#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2q4s s LEU 6 N 0.00 4.30 0.25 -4.62 1.43 -1.26 -5.02 118.68 113.75 2q4s s LEU 6 Ca 0.00 -0.65 0.02 0.00 -1.03 0.00 0.00 54.13 52.47 2q4s s LEU 6 Cb 0.00 -2.63 -0.03 0.00 0.03 0.00 0.00 46.19 43.55 2q4s s LEU 6 CO 0.00 -1.27 0.41 -0.76 0.23 0.00 0.00 176.35 174.96 2q4s s LEU 7 N 3.86 4.21 0.20 1.79 1.43 -1.26 -5.05 118.68 123.87 2q4s s LEU 7 Ca 0.26 0.27 -0.31 0.00 -1.03 0.00 0.00 54.13 53.32 2q4s s LEU 7 Cb -0.15 -3.07 -0.10 0.00 0.03 0.00 0.00 46.19 42.90 2q4s s LEU 7 CO 0.15 -0.11 1.54 -0.75 0.23 0.00 0.00 176.35 177.41 2q4s s LYS 8 N -3.83 4.22 0.31 1.70 2.20 -1.26 -4.93 119.74 118.14 2q4s s LYS 8 Ca 0.37 2.38 -0.29 0.00 -0.36 0.00 0.00 55.97 58.07 2q4s s LYS 8 Cb -0.10 -3.13 -0.10 0.00 -1.51 0.00 0.00 37.83 32.99 2q4s s LYS 8 CO 0.31 -0.57 1.34 -2.14 -0.36 0.00 0.00 175.35 173.93 2q4s s PRO 9 N 0.58 4.33 -0.00 4.03 0.02 -1.26 -4.90 135.00 137.79 2q4s s PRO 9 Ca 0.67 2.24 -0.03 0.00 0.02 0.00 0.00 61.00 63.89 2q4s s PRO 9 Cb -0.44 -3.08 -0.28 0.00 0.02 0.00 0.00 34.50 30.72 2q4s s PRO 9 CO 0.36 -0.25 0.83 0.00 -0.33 0.00 0.00 177.00 177.61 2q4s h ARG 10 N 3.80 0.25 -4.10 5.54 3.08 -1.91 -3.44 114.38 117.61 2q4s h ARG 10 Ca -0.48 -0.43 -0.19 0.00 0.07 0.00 0.00 59.98 58.95 2q4s h ARG 10 Cb 1.22 0.16 -0.11 0.00 0.08 0.00 0.00 29.97 31.33 2q4s h ARG 10 CO 0.68 1.11 -0.29 0.95 -1.07 0.00 0.00 179.97 181.36 2q4s s THR 11 N -2.61 0.00 0.38 2.04 -4.23 -1.26 -4.96 115.64 104.99 2q4s s THR 11 Ca -0.10 -1.65 0.06 0.00 -1.18 0.00 0.00 61.69 58.83 2q4s s THR 11 Cb 0.07 -2.43 0.20 0.00 1.34 0.00 0.00 72.50 71.69 2q4s s THR 11 CO 0.85 0.00 1.96 0.25 -0.54 0.00 0.00 174.62 177.14 2q4s h LEU 12 N 2.31 0.44 -0.20 4.79 5.85 -1.96 0.16 115.31 126.70 2q4s h LEU 12 Ca -0.29 -0.05 -0.07 0.00 0.84 0.00 0.00 57.88 58.30 2q4s h LEU 12 Cb 1.25 -0.11 -0.00 0.00 0.37 0.00 0.00 40.66 42.16 2q4s h LEU 12 CO 0.41 0.44 -0.15 0.00 -0.34 0.00 0.00 178.44 178.81 2q4s h ALA 13 N 1.63 0.28 -0.31 1.25 0.00 -1.98 -0.39 119.26 119.74 2q4s h ALA 13 Ca 0.12 -0.32 0.03 0.00 0.00 0.00 0.00 54.91 54.73 2q4s h ALA 13 Cb 0.17 -0.06 -0.03 0.00 0.00 0.00 0.00 17.79 17.86 2q4s h ALA 13 CO -0.01 0.17 0.11 -0.44 0.00 0.00 0.00 179.25 179.09 2q4s h ASP 14 N 0.13 0.13 -0.31 0.00 3.32 -1.74 0.29 116.42 118.24 2q4s h ASP 14 Ca 0.04 0.03 0.06 0.00 0.02 0.00 0.00 57.03 57.17 2q4s h ASP 14 Cb 0.67 0.01 -0.05 0.00 0.22 0.00 0.00 39.33 40.18 2q4s h ASP 14 CO 0.04 0.11 -0.03 0.25 -1.72 0.00 0.00 179.24 177.89 2q4s h LEU 15 N 0.25 -0.19 -0.70 1.55 5.85 -0.61 0.04 115.31 121.51 2q4s h LEU 15 Ca 0.13 0.08 -0.05 0.00 0.84 0.00 0.00 57.88 58.88 2q4s h LEU 15 Cb 0.10 0.15 -0.03 0.00 0.37 0.00 0.00 40.66 41.25 2q4s h LEU 15 CO -0.13 -0.06 0.23 0.40 -0.34 0.00 0.00 178.44 178.54 2q4s h ILE 16 N 0.05 1.25 -0.16 4.05 2.04 -0.31 -1.16 117.51 123.27 2q4s h ILE 16 Ca 0.15 -0.87 0.04 0.00 1.00 0.00 0.00 64.86 65.19 2q4s h ILE 16 Cb 0.21 0.50 -0.05 0.00 -0.74 0.00 0.00 36.82 36.75 2q4s h ILE 16 CO -0.28 0.34 -0.12 -0.09 0.00 0.00 0.00 178.15 178.00 2q4s h ARG 17 N 1.02 -0.12 -0.48 2.37 2.43 0.22 -2.40 114.38 117.42 2q4s h ARG 17 Ca 0.23 0.01 -0.01 0.00 -0.81 0.00 0.00 59.98 59.40 2q4s h ARG 17 Cb 0.29 0.03 -0.02 0.00 -0.42 0.00 0.00 29.97 29.84 2q4s h ARG 17 CO -0.01 -0.08 0.27 0.82 -1.51 0.00 0.00 179.97 179.46 2q4s h ILE 18 N -0.13 1.16 -0.85 1.20 2.04 -0.79 -2.61 117.51 117.54 2q4s h ILE 18 Ca 0.10 -0.40 0.14 0.00 1.00 0.00 0.00 64.86 65.70 2q4s h ILE 18 Cb 0.27 0.56 -0.06 0.00 -0.74 0.00 0.00 36.82 36.85 2q4s h ILE 18 CO -0.24 0.17 0.55 -0.07 0.00 0.00 0.00 178.15 178.56 2q4s h LEU 19 N 0.64 0.59 -0.33 1.44 3.38 -0.78 0.69 115.31 120.93 2q4s h LEU 19 Ca 0.17 0.03 -0.02 0.00 0.09 0.00 0.00 57.88 58.16 2q4s h LEU 19 Cb 0.03 -0.09 -0.01 0.00 0.09 0.00 0.00 40.66 40.68 2q4s h LEU 19 CO -0.03 0.31 0.14 0.45 0.09 0.00 0.00 178.44 179.40 2q4s h HIS 20 N 0.63 0.49 0.25 1.13 3.86 -1.06 0.37 115.15 120.82 2q4s h HIS 20 Ca 0.42 -0.03 -0.00 0.00 -1.16 0.00 0.00 60.37 59.60 2q4s h HIS 20 Cb 0.72 -0.15 -0.02 0.00 1.06 0.00 0.00 27.41 29.02 2q4s h HIS 20 CO -0.00 0.45 -0.22 0.93 0.86 0.00 0.00 177.93 179.94 2q4s h GLU 21 N 0.39 -0.48 0.00 2.45 5.08 -0.12 0.83 114.58 122.73 2q4s h GLU 21 Ca 0.11 0.03 0.00 0.00 -1.00 0.00 0.00 59.36 58.50 2q4s h GLU 21 Cb 0.15 0.11 0.00 0.00 0.50 0.00 0.00 28.75 29.51 2q4s h GLU 21 CO -0.01 -0.32 0.00 1.28 -1.00 0.00 0.00 179.01 178.96 2q4s n LEU 22 N -5.35 0.51 -0.22 1.33 4.77 0.20 -0.96 117.00 117.28 2q4s n LEU 22 Ca -0.09 0.70 0.08 0.00 -0.03 0.00 0.00 56.01 56.68 2q4s n LEU 22 Cb 0.26 -0.72 0.14 0.00 -2.33 0.00 0.00 43.42 40.77 2q4s n LEU 22 CO 0.30 -0.77 0.50 0.49 -1.33 0.00 0.00 177.39 176.58 2q4s n PHE 23 N -2.14 0.00 0.25 -1.77 3.72 0.13 -4.67 117.46 112.98 2q4s n PHE 23 Ca -0.00 -0.99 0.13 0.00 -0.05 0.00 0.00 57.45 56.54 2q4s n PHE 23 Cb 0.09 -0.16 0.58 0.00 -0.94 0.00 0.00 39.48 39.05 2q4s n PHE 23 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 2q4s h ALA 24 N 0.18 1.04 -3.49 4.37 0.00 0.25 -3.45 119.26 118.16 2q4s h ALA 24 Ca -0.00 -0.12 0.00 0.00 0.00 0.00 0.00 54.91 54.79 2q4s h ALA 24 Cb 1.05 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.82 2q4s h ALA 24 CO 0.00 0.16 0.00 0.41 0.00 0.00 0.00 179.25 179.82 2q4s n GLY 25 N 0.01 1.57 0.00 0.00 0.00 -1.26 -5.04 105.19 100.47 2q4s n GLY 25 Ca 0.00 -2.04 0.11 0.00 0.00 0.00 0.00 46.02 44.09 2q4s n GLY 25 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 2q4s n ASP 26 N -1.68 0.83 -4.82 1.61 8.00 -1.26 -4.96 116.55 114.27 2q4s n ASP 26 Ca 0.00 -0.75 -0.28 0.00 0.71 0.00 0.00 54.79 54.47 2q4s n ASP 26 Cb 0.00 0.90 -0.04 0.00 -0.02 0.00 0.00 41.12 41.96 2q4s n ASP 26 CO 0.00 0.00 0.00 -1.61 -0.39 0.00 0.00 177.20 175.20 2q4s s GLU 27 N -3.04 2.22 -0.05 -1.24 0.41 -1.26 -5.13 118.70 110.61 2q4s s GLU 27 Ca 0.07 -2.13 0.01 0.00 -0.41 0.00 0.00 54.97 52.51 2q4s s GLU 27 Cb 0.16 -1.86 0.02 0.00 -1.78 0.00 0.00 34.13 30.67 2q4s s GLU 27 CO 0.84 -0.43 -0.05 0.08 -0.49 0.00 0.00 175.26 175.21 2q4s s VAL 28 N -2.78 0.61 -1.02 2.63 1.01 -1.26 -4.86 120.40 114.74 2q4s s VAL 28 Ca 0.25 -0.15 -0.14 0.00 0.00 0.00 0.00 61.98 61.93 2q4s s VAL 28 Cb 0.00 -0.64 0.19 0.00 0.00 0.00 0.00 36.38 35.94 2q4s s VAL 28 CO 0.15 0.25 1.12 0.21 0.00 0.00 0.00 175.10 176.83 2q4s s ASN 29 N 1.02 6.92 0.49 3.32 3.84 -1.26 -4.81 114.94 124.46 2q4s s ASN 29 Ca -0.09 -2.76 0.28 0.00 0.21 0.00 0.00 52.86 50.50 2q4s s ASN 29 Cb -0.14 -2.32 1.35 0.00 -0.55 0.00 0.00 41.25 39.59 2q4s s ASN 29 CO -0.00 -0.71 1.83 0.58 -2.79 0.00 0.00 177.10 176.01 2q4s h VAL 30 N 4.84 0.52 0.35 -5.21 2.07 -1.98 0.14 116.25 116.98 2q4s h VAL 30 Ca 0.19 -0.05 -0.00 0.00 0.82 0.00 0.00 66.70 67.66 2q4s h VAL 30 Cb 0.96 0.35 -0.02 0.00 -1.52 0.00 0.00 31.29 31.05 2q4s h VAL 30 CO 1.04 0.03 -0.37 -0.33 0.02 0.00 0.00 177.57 177.95 2q4s h GLU 31 N 0.16 -0.73 0.00 1.57 4.39 -2.00 0.06 114.58 118.03 2q4s h GLU 31 Ca 0.52 0.05 -0.06 0.00 0.34 0.00 0.00 59.36 60.20 2q4s h GLU 31 Cb 1.75 0.17 -0.01 0.00 -0.10 0.00 0.00 28.75 30.55 2q4s h GLU 31 CO -0.11 -0.49 -0.29 0.93 -1.16 0.00 0.00 179.01 177.89 2q4s h GLU 32 N -0.76 0.00 -0.13 2.33 5.08 -1.21 -2.48 114.58 117.41 2q4s h GLU 32 Ca -0.02 0.00 -0.06 0.00 -1.00 0.00 0.00 59.36 58.28 2q4s h GLU 32 Cb 0.69 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.94 2q4s h GLU 32 CO -0.08 0.29 -0.13 0.28 -1.00 0.00 0.00 179.01 178.37 2q4s h VAL 33 N 0.00 1.35 -0.54 3.13 2.07 -0.91 -0.27 116.25 121.09 2q4s h VAL 33 Ca -0.00 -1.30 -0.05 0.00 0.82 0.00 0.00 66.70 66.16 2q4s h VAL 33 Cb 1.22 1.92 -0.02 0.00 -1.52 0.00 0.00 31.29 32.89 2q4s h VAL 33 CO 0.04 0.38 0.12 -0.61 0.02 0.00 0.00 177.57 177.52 2q4s h GLN 34 N -0.07 0.83 -0.59 1.57 4.15 -1.03 -2.04 115.11 117.93 2q4s h GLN 34 Ca 0.02 -0.17 -0.03 0.00 0.77 0.00 0.00 58.65 59.24 2q4s h GLN 34 Cb 0.66 -0.12 -0.03 0.00 0.21 0.00 0.00 27.48 28.20 2q4s h GLN 34 CO 0.03 0.76 0.26 0.00 -1.93 0.00 0.00 178.83 177.95 2q4s h ALA 35 N 1.33 0.77 -0.06 3.38 0.00 -1.24 -1.45 119.26 121.99 2q4s h ALA 35 Ca 0.17 -0.15 -0.18 0.00 0.00 0.00 0.00 54.91 54.76 2q4s h ALA 35 Cb 0.31 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 17.86 2q4s h ALA 35 CO 0.00 0.36 -0.72 -0.24 0.00 0.00 0.00 179.25 178.66 2q4s h VAL 36 N 0.82 1.40 -0.40 0.00 3.04 -0.86 -2.19 116.25 118.06 2q4s h VAL 36 Ca 0.20 -2.18 -0.04 0.00 -1.01 0.00 0.00 66.70 63.67 2q4s h VAL 36 Cb 0.17 2.14 -0.02 0.00 -2.01 0.00 0.00 31.29 31.57 2q4s h VAL 36 CO -0.02 0.65 0.08 -0.07 -1.01 0.00 0.00 177.57 177.19 2q4s h LEU 37 N 0.22 0.62 -1.50 3.16 3.38 -1.25 -1.81 115.31 118.13 2q4s h LEU 37 Ca -0.03 -0.25 -0.02 0.00 0.09 0.00 0.00 57.88 57.67 2q4s h LEU 37 Cb 1.28 -0.16 -0.02 0.00 0.09 0.00 0.00 40.66 41.85 2q4s h LEU 37 CO 0.12 0.71 0.08 -0.08 0.09 0.00 0.00 178.44 179.36 2q4s h GLU 38 N 0.51 0.40 -0.01 1.13 4.81 -1.22 -2.84 114.58 117.36 2q4s h GLU 38 Ca 0.12 -0.05 -0.07 0.00 -0.13 0.00 0.00 59.36 59.23 2q4s h GLU 38 Cb 0.35 -0.08 -0.01 0.00 0.63 0.00 0.00 28.75 29.64 2q4s h GLU 38 CO 0.01 0.37 -0.34 0.00 -0.73 0.00 0.00 179.01 178.32 2q4s h ALA 39 N 1.69 1.43 -2.37 2.92 0.00 -0.68 -3.43 119.26 118.84 2q4s h ALA 39 Ca 0.10 -0.31 -0.54 0.00 0.00 0.00 0.00 54.91 54.16 2q4s h ALA 39 Cb 0.15 -0.06 -0.00 0.00 0.00 0.00 0.00 17.79 17.88 2q4s h ALA 39 CO -0.01 0.43 0.88 -0.47 0.00 0.00 0.00 179.25 180.08 2q4s s TYR 40 N -4.28 2.71 -0.55 0.00 5.04 -0.98 -4.58 117.35 114.73 2q4s s TYR 40 Ca -0.03 0.70 -0.21 0.00 -2.44 0.00 0.00 57.07 55.09 2q4s s TYR 40 Cb 0.15 -3.72 0.06 0.00 0.35 0.00 0.00 41.96 38.79 2q4s s TYR 40 CO 0.72 -2.75 0.78 -1.21 -1.34 0.00 0.00 175.55 171.76 2q4s s GLU 41 N 2.62 3.19 0.01 4.97 2.02 -1.26 -4.98 118.70 125.26 2q4s s GLU 41 Ca 0.66 -0.69 -0.15 0.00 0.02 0.00 0.00 54.97 54.81 2q4s s GLU 41 Cb -0.32 -4.11 -0.08 0.00 0.10 0.00 0.00 34.13 29.72 2q4s s GLU 41 CO 0.27 -1.41 0.39 0.45 0.02 0.00 0.00 175.26 174.99 2q4s n SER 42 N 6.81 -0.06 -3.94 -0.19 2.88 -1.26 -4.92 113.62 112.95 2q4s n SER 42 Ca -0.04 0.45 -0.31 0.00 -1.33 0.00 0.00 58.87 57.65 2q4s n SER 42 Cb 0.46 -0.36 -0.15 0.00 -0.75 0.00 0.00 64.21 63.41 2q4s n SER 42 CO 0.00 0.00 0.00 0.21 -1.23 0.00 0.00 175.04 174.02 2q4s s ASN 43 N -0.05 4.51 0.15 -3.46 3.84 -1.26 -5.02 114.94 113.66 2q4s s ASN 43 Ca 0.34 -2.17 -0.15 0.00 0.21 0.00 0.00 52.86 51.09 2q4s s ASN 43 Cb -0.48 -1.44 0.10 0.00 -0.55 0.00 0.00 41.25 38.88 2q4s s ASN 43 CO 0.22 -0.37 1.09 -2.65 -2.79 0.00 0.00 177.10 172.61 2q4s n PRO 44 N 4.22 -0.21 0.05 0.43 -0.02 -1.26 0.45 135.00 138.65 2q4s n PRO 44 Ca 0.03 1.08 0.12 0.00 -2.02 0.00 0.00 63.50 62.72 2q4s n PRO 44 Cb 0.41 -1.60 0.59 0.00 -0.02 0.00 0.00 33.50 32.88 2q4s n PRO 44 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 2q4s h ALA 45 N 0.77 2.12 0.00 3.55 0.00 -2.02 -0.62 119.26 123.07 2q4s h ALA 45 Ca 0.20 -0.01 -0.20 0.00 0.00 0.00 0.00 54.91 54.90 2q4s h ALA 45 Cb 0.38 -0.03 -0.01 0.00 0.00 0.00 0.00 17.79 18.13 2q4s h ALA 45 CO -0.69 -0.21 -0.89 0.93 0.00 0.00 0.00 179.25 178.39 2q4s h GLU 46 N 0.18 0.25 -1.22 0.00 5.08 -0.43 -3.29 114.58 115.15 2q4s h GLU 46 Ca 0.18 -0.27 -0.69 0.00 -1.00 0.00 0.00 59.36 57.58 2q4s h GLU 46 Cb 0.46 0.08 -0.30 0.00 0.50 0.00 0.00 28.75 29.49 2q4s h GLU 46 CO -0.03 0.99 0.74 -2.67 -1.00 0.00 0.00 179.01 177.04 2q4s n TRP 47 N -3.68 3.15 -0.08 4.33 4.27 -0.25 -4.51 117.44 120.67 2q4s n TRP 47 Ca -0.04 -2.81 -0.14 0.00 -3.89 0.00 0.00 57.50 50.61 2q4s n TRP 47 Cb 0.81 -1.27 -0.10 0.00 -1.36 0.00 0.00 31.31 29.38 2q4s n TRP 47 CO 0.00 0.00 0.00 0.00 -2.29 0.00 0.00 177.69 175.40 2q4s h ALA 48 N 2.26 0.08 0.00 -1.67 0.00 -1.61 -3.29 119.26 115.04 2q4s h ALA 48 Ca 0.57 -0.67 0.00 0.00 0.00 0.00 0.00 54.91 54.81 2q4s h ALA 48 Cb 0.69 0.27 0.00 0.00 0.00 0.00 0.00 17.79 18.75 2q4s h ALA 48 CO 1.48 0.25 0.02 1.25 0.00 0.00 0.00 179.25 182.25 2q4s h LEU 49 N -1.00 0.00 0.00 0.00 5.85 -1.85 -2.77 115.31 115.54 2q4s h LEU 49 Ca -0.11 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.61 2q4s h LEU 49 Cb 0.96 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.99 2q4s h LEU 49 CO -0.07 0.00 -0.58 -1.22 -0.34 0.00 0.00 178.44 176.23 2q4s n TYR 50 N -2.54 0.00 -1.54 1.25 4.01 -1.26 -4.38 117.16 112.70 2q4s n TYR 50 Ca -0.02 0.00 -0.41 0.00 -0.16 0.00 0.00 57.90 57.31 2q4s n TYR 50 Cb 0.07 -0.02 -0.01 0.00 -0.31 0.00 0.00 39.34 39.06 2q4s n TYR 50 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 2q4s n ALA 51 N -1.30 6.04 -3.03 -0.72 0.00 -1.05 -4.80 120.51 115.64 2q4s n ALA 51 Ca 0.02 -3.69 -0.44 0.00 0.00 0.00 0.00 53.44 49.33 2q4s n ALA 51 Cb 0.17 -3.48 -0.08 0.00 0.00 0.00 0.00 19.45 16.06 2q4s n ALA 51 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.50 177.65 2q4s s LYS 52 N 2.98 2.89 0.26 0.00 1.02 -1.26 -5.05 119.74 120.58 2q4s s LYS 52 Ca 0.54 -1.43 -0.05 0.00 0.02 0.00 0.00 55.97 55.05 2q4s s LYS 52 Cb 0.15 -4.08 -0.05 0.00 -0.52 0.00 0.00 37.83 33.33 2q4s s LYS 52 CO -0.07 -1.06 0.52 -0.06 -0.92 0.00 0.00 175.35 173.77 2q4s s PHE 53 N 1.58 3.47 0.04 3.18 0.08 -1.26 -4.71 117.98 120.36 2q4s s PHE 53 Ca 0.04 0.62 0.09 0.00 0.12 0.00 0.00 56.93 57.80 2q4s s PHE 53 Cb -0.25 -2.08 -0.03 0.00 -0.57 0.00 0.00 43.02 40.09 2q4s s PHE 53 CO 0.05 0.22 -0.26 0.34 -0.10 0.00 0.00 175.22 175.48 2q4s s ASP 54 N -3.03 3.07 0.37 1.36 2.15 -1.26 -5.04 116.67 114.28 2q4s s ASP 54 Ca 0.43 -0.56 0.18 0.00 0.43 0.00 0.00 52.55 53.03 2q4s s ASP 54 Cb -0.11 -0.29 0.65 0.00 -0.30 0.00 0.00 42.92 42.87 2q4s s ASP 54 CO 0.29 0.26 1.72 -0.61 -0.17 0.00 0.00 175.17 176.65 2q4s h GLN 55 N 4.91 0.00 0.00 4.34 4.15 -2.00 -3.35 115.11 123.16 2q4s h GLN 55 Ca -0.45 0.00 0.00 0.00 0.77 0.00 0.00 58.65 58.97 2q4s h GLN 55 Cb 1.14 0.00 0.00 0.00 0.21 0.00 0.00 27.48 28.83 2q4s h GLN 55 CO 0.44 0.38 -1.63 0.66 -1.93 0.00 0.00 178.83 176.75 2q4s n TYR 56 N -3.52 0.00 -3.49 3.99 4.01 -1.26 -4.91 117.16 111.97 2q4s n TYR 56 Ca -0.00 0.00 -0.11 0.00 -0.16 0.00 0.00 57.90 57.63 2q4s n TYR 56 Cb 0.52 -0.33 -0.02 0.00 -0.31 0.00 0.00 39.34 39.21 2q4s n TYR 56 CO 0.00 0.00 0.00 -0.98 -0.46 0.00 0.00 176.86 175.42 2q4s s ARG 57 N -3.26 1.35 0.59 -0.72 1.70 -1.26 -5.05 118.95 112.30 2q4s s ARG 57 Ca -0.03 -0.55 -0.18 0.00 -0.47 0.00 0.00 55.73 54.51 2q4s s ARG 57 Cb 0.14 0.59 -0.04 0.00 -0.57 0.00 0.00 34.95 35.07 2q4s s ARG 57 CO 0.84 -0.60 1.12 1.52 -1.08 0.00 0.00 175.30 177.10 2q4s s TYR 58 N -3.76 2.68 0.17 5.89 -0.85 -1.26 -4.17 117.35 116.05 2q4s s TYR 58 Ca 0.03 1.55 0.09 0.00 -0.52 0.00 0.00 57.07 58.21 2q4s s TYR 58 Cb -0.02 -3.23 -0.04 0.00 0.38 0.00 0.00 41.96 39.06 2q4s s TYR 58 CO -0.10 -1.57 -0.11 0.95 -1.52 0.00 0.00 175.55 173.21 2q4s s THR 59 N -2.02 3.15 -0.20 -3.49 -4.23 -0.75 -4.95 115.64 103.16 2q4s s THR 59 Ca 0.70 -1.61 -0.02 0.00 -1.18 0.00 0.00 61.69 59.57 2q4s s THR 59 Cb -0.22 -2.54 -0.00 0.00 1.34 0.00 0.00 72.50 71.08 2q4s s THR 59 CO 0.32 -0.07 -0.09 -0.13 -0.54 0.00 0.00 174.62 174.12 2q4s s ARG 60 N -2.70 3.30 -0.26 3.99 0.52 -1.26 -2.00 118.95 120.55 2q4s s ARG 60 Ca 0.24 -0.67 0.02 0.00 -0.52 0.00 0.00 55.73 54.79 2q4s s ARG 60 Cb -0.09 -2.86 0.07 0.00 0.52 0.00 0.00 34.95 32.59 2q4s s ARG 60 CO 0.14 -0.13 -0.06 -0.80 0.02 0.00 0.00 175.30 174.48 2q4s s ASN 61 N 1.24 4.14 0.11 0.23 0.01 0.10 0.28 114.94 121.06 2q4s s ASN 61 Ca 0.03 -1.36 -0.31 0.00 -0.71 0.00 0.00 52.86 50.51 2q4s s ASN 61 Cb -0.14 -1.33 -0.08 0.00 0.41 0.00 0.00 41.25 40.11 2q4s s ASN 61 CO -0.04 -0.24 1.40 -0.22 -1.51 0.00 0.00 177.10 176.49 2q4s s LEU 62 N 1.26 4.37 -0.22 0.60 2.96 -0.43 0.07 118.68 127.29 2q4s s LEU 62 Ca -0.05 2.33 -0.00 0.00 -0.22 0.00 0.00 54.13 56.19 2q4s s LEU 62 Cb -0.19 -3.59 -0.14 0.00 0.50 0.00 0.00 46.19 42.77 2q4s s LEU 62 CO -0.07 -0.66 -0.21 0.52 -1.32 0.00 0.00 176.35 174.61 2q4s n VAL 63 N 3.97 1.27 -3.58 1.68 0.31 0.38 -0.96 118.33 121.41 2q4s n VAL 63 Ca 0.12 -0.46 -0.15 0.00 -0.01 0.00 0.00 64.34 63.84 2q4s n VAL 63 Cb 0.42 -1.37 -0.06 0.00 -0.91 0.00 0.00 33.84 31.92 2q4s n VAL 63 CO 0.00 0.00 0.00 -0.62 -1.32 0.00 0.00 176.83 174.89 2q4s s ASP 64 N -6.30 -0.63 -0.03 4.52 2.15 -0.97 -4.66 116.67 110.75 2q4s s ASP 64 Ca -0.30 0.95 0.18 0.00 0.43 0.00 0.00 52.55 53.80 2q4s s ASP 64 Cb 0.08 0.87 0.56 0.00 -0.30 0.00 0.00 42.92 44.14 2q4s s ASP 64 CO 0.50 -0.39 1.46 0.00 -0.17 0.00 0.00 175.17 176.57 2q4s n GLN 65 N 1.66 2.72 -4.16 4.34 6.02 -1.26 -1.17 117.38 125.53 2q4s n GLN 65 Ca -0.15 -2.27 -0.36 0.00 -0.01 0.00 0.00 57.00 54.20 2q4s n GLN 65 Cb 0.56 -1.58 -0.07 0.00 1.02 0.00 0.00 30.24 30.17 2q4s n GLN 65 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 2q4s n GLY 66 N 1.32 -0.39 2.48 1.08 0.00 -1.21 0.10 105.19 108.57 2q4s n GLY 66 Ca 0.21 0.06 -0.15 0.00 0.00 0.00 0.00 46.02 46.14 2q4s n GLY 66 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 2q4s n ASN 67 N -2.18 -4.55 0.00 1.61 4.13 -1.26 -1.70 115.26 111.30 2q4s n ASN 67 Ca 0.10 -0.12 0.00 0.00 1.68 0.00 0.00 54.58 56.24 2q4s n ASN 67 Cb 0.43 -3.53 0.00 0.00 -1.54 0.00 0.00 39.78 35.14 2q4s n ASN 67 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 2q4s n GLY 68 N -1.18 0.20 0.09 7.41 0.00 0.29 -4.77 105.19 107.24 2q4s n GLY 68 Ca -0.11 0.00 -0.03 0.00 0.00 0.00 0.00 46.02 45.87 2q4s n GLY 68 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2q4s h LYS 69 N 0.59 0.00 -3.43 1.61 1.79 -1.42 -3.41 116.57 112.30 2q4s h LYS 69 Ca 0.00 0.00 -0.05 0.00 -2.18 0.00 0.00 60.65 58.42 2q4s h LYS 69 Cb 0.12 0.00 -0.12 0.00 -1.58 0.00 0.00 32.23 30.64 2q4s h LYS 69 CO 0.00 0.72 -0.08 -0.59 -1.08 0.00 0.00 179.45 178.43 2q4s s PHE 70 N -2.81 -0.10 -0.21 -1.35 -0.12 -1.25 -4.12 117.98 108.03 2q4s s PHE 70 Ca 0.01 -0.23 -0.04 0.00 -0.05 0.00 0.00 56.93 56.62 2q4s s PHE 70 Cb 0.09 0.26 -0.02 0.00 -0.63 0.00 0.00 43.02 42.72 2q4s s PHE 70 CO 0.79 -0.76 -0.02 -0.80 -0.05 0.00 0.00 175.22 174.38 2q4s s ASN 71 N -2.84 4.60 0.07 1.98 0.01 -0.45 -3.32 114.94 114.98 2q4s s ASN 71 Ca 0.06 -0.28 0.07 0.00 -0.71 0.00 0.00 52.86 52.00 2q4s s ASN 71 Cb 0.01 -1.79 -0.04 0.00 0.41 0.00 0.00 41.25 39.85 2q4s s ASN 71 CO -0.08 0.04 -0.13 -0.22 -1.51 0.00 0.00 177.10 175.19 2q4s s LEU 72 N 1.16 2.87 -0.02 0.60 2.96 -0.31 -1.26 118.68 124.67 2q4s s LEU 72 Ca 0.02 -0.39 0.01 0.00 -0.22 0.00 0.00 54.13 53.56 2q4s s LEU 72 Cb -0.14 -1.68 0.01 0.00 0.50 0.00 0.00 46.19 44.88 2q4s s LEU 72 CO 0.00 0.22 -0.02 -0.63 -1.32 0.00 0.00 176.35 174.60 2q4s s ILE 74 N -1.07 0.30 -0.16 6.68 1.01 0.11 -0.47 121.20 127.60 2q4s s ILE 74 Ca 0.18 -0.06 -0.05 0.00 0.00 0.00 0.00 60.65 60.72 2q4s s ILE 74 Cb -0.11 -0.32 -0.03 0.00 0.01 0.00 0.00 42.46 42.01 2q4s s ILE 74 CO 0.09 0.13 0.01 -0.76 0.00 0.00 0.00 174.94 174.41 2q4s s LEU 75 N 0.53 3.51 -0.23 2.97 1.02 -0.14 -0.72 118.68 125.62 2q4s s LEU 75 Ca -0.06 -0.02 -0.01 0.00 0.02 0.00 0.00 54.13 54.07 2q4s s LEU 75 Cb -0.09 -1.86 0.02 0.00 0.02 0.00 0.00 46.19 44.29 2q4s s LEU 75 CO -0.01 0.20 -0.11 0.00 0.02 0.00 0.00 176.35 176.45 2q4s s TRP 77 N 1.30 3.16 1.16 0.00 0.52 0.19 -1.81 118.94 123.47 2q4s s TRP 77 Ca 0.01 -1.41 -0.20 0.00 0.02 0.00 0.00 56.10 54.53 2q4s s TRP 77 Cb -0.16 -2.17 0.28 0.00 -1.15 0.00 0.00 33.47 30.28 2q4s s TRP 77 CO -0.07 -0.70 1.18 0.41 0.02 0.00 0.00 176.95 177.80 2q4s n GLY 78 N 4.75 -2.38 3.68 0.98 0.00 -1.26 0.74 105.19 111.70 2q4s n GLY 78 Ca -0.14 -1.56 -0.43 0.00 0.00 0.00 0.00 46.02 43.88 2q4s n GLY 78 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 2q4s n GLU 79 N -4.56 2.74 -0.98 1.61 4.71 -1.26 -1.95 120.64 120.94 2q4s n GLU 79 Ca 0.16 1.00 0.00 0.00 -0.01 0.00 0.00 57.16 58.31 2q4s n GLU 79 Cb 0.59 -2.91 0.00 0.00 -1.01 0.00 0.00 31.44 28.11 2q4s n GLU 79 CO 0.00 0.00 0.00 0.41 0.09 0.00 0.00 177.13 177.63 2q4s n GLY 80 N 4.34 0.59 3.66 0.62 0.00 -0.80 -5.00 105.19 108.60 2q4s n GLY 80 Ca 0.19 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.79 2q4s n GLY 80 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 2q4s s HIS 81 N -2.45 3.35 0.34 1.61 3.76 -0.82 -4.78 115.29 116.29 2q4s s HIS 81 Ca 0.00 1.36 0.03 0.00 -0.15 0.00 0.00 55.06 56.31 2q4s s HIS 81 Cb 0.00 -3.18 -0.04 0.00 1.11 0.00 0.00 32.58 30.47 2q4s s HIS 81 CO 0.00 -0.43 0.13 0.20 -0.85 0.00 0.00 174.74 173.79 2q4s s GLY 82 N 1.23 2.23 0.53 -2.22 0.00 -1.26 -1.94 107.32 105.90 2q4s s GLY 82 Ca 0.41 -1.64 0.08 0.00 0.00 0.00 0.00 44.72 43.56 2q4s s GLY 82 CO 0.07 -1.71 0.73 -1.35 0.00 0.00 0.00 173.10 170.84 2q4s s SER 83 N -3.47 5.25 0.71 1.64 1.04 0.12 -4.84 113.70 114.16 2q4s s SER 83 Ca 0.32 -0.59 -0.08 0.00 0.48 0.00 0.00 55.95 56.08 2q4s s SER 83 Cb 0.05 -0.16 0.05 0.00 0.10 0.00 0.00 66.02 66.06 2q4s s SER 83 CO 0.16 -1.16 1.05 -0.94 0.98 0.00 0.00 173.24 173.33 2q4s s SER 84 N -4.54 4.91 0.07 7.02 1.04 -1.26 -4.66 113.70 116.28 2q4s s SER 84 Ca 0.59 0.64 -0.30 0.00 0.48 0.00 0.00 55.95 57.36 2q4s s SER 84 Cb -0.08 -1.31 -0.06 0.00 0.10 0.00 0.00 66.02 64.67 2q4s s SER 84 CO 0.37 -1.57 1.16 -0.63 0.98 0.00 0.00 173.24 173.55 2q4s s ILE 85 N -3.31 4.10 0.15 -1.02 1.01 -1.26 -4.54 121.20 116.33 2q4s s ILE 85 Ca 0.59 1.54 -0.11 0.00 0.00 0.00 0.00 60.65 62.67 2q4s s ILE 85 Cb -0.11 -3.98 0.01 0.00 0.01 0.00 0.00 42.46 38.38 2q4s s ILE 85 CO 0.47 0.14 0.32 -1.38 0.00 0.00 0.00 174.94 174.48 2q4s s HIS 86 N 0.90 0.17 0.54 3.97 -3.43 -0.45 -1.68 115.29 115.31 2q4s s HIS 86 Ca 0.57 -0.54 0.07 0.00 -0.80 0.00 0.00 55.06 54.36 2q4s s HIS 86 Cb -0.29 0.07 0.07 0.00 -1.43 0.00 0.00 32.58 31.00 2q4s s HIS 86 CO 0.30 -0.72 0.59 -0.40 -2.00 0.00 0.00 174.74 172.51 2q4s n ASP 87 N -0.21 2.35 -0.56 7.38 5.75 -1.18 -2.49 116.55 127.60 2q4s n ASP 87 Ca -0.11 -2.64 0.06 0.00 -0.01 0.00 0.00 54.79 52.09 2q4s n ASP 87 Cb 0.63 -0.23 0.12 0.00 -1.03 0.00 0.00 41.12 40.60 2q4s n ASP 87 CO 0.00 0.00 0.00 1.41 -0.11 0.00 0.00 177.20 178.50 2q4s n HIS 88 N -1.99 0.00 -3.74 2.11 8.25 -1.26 -4.56 115.22 114.03 2q4s n HIS 88 Ca 0.07 -0.91 -0.22 0.00 -0.26 0.00 0.00 57.72 56.40 2q4s n HIS 88 Cb 0.59 -0.17 0.02 0.00 1.12 0.00 0.00 29.99 31.56 2q4s n HIS 88 CO 0.00 0.00 0.00 2.41 0.64 0.00 0.00 176.34 179.39 2q4s n THR 89 N -0.75 -4.33 -3.64 1.59 -1.04 -1.26 -2.10 114.28 102.74 2q4s n THR 89 Ca 0.13 -0.53 -0.27 0.00 -2.04 0.00 0.00 64.05 61.33 2q4s n THR 89 Cb 0.75 -3.62 0.03 0.00 -1.82 0.00 0.00 70.33 65.67 2q4s n THR 89 CO 0.00 0.00 0.00 0.47 -0.64 0.00 0.00 175.07 174.90 2q4s n ASP 90 N -3.03 -5.05 -4.20 8.00 8.00 -1.26 -4.98 116.55 114.03 2q4s n ASP 90 Ca -0.29 -0.61 -0.15 0.00 0.71 0.00 0.00 54.79 54.45 2q4s n ASP 90 Cb 0.68 -4.05 -0.11 0.00 -0.02 0.00 0.00 41.12 37.62 2q4s n ASP 90 CO 0.00 0.00 0.00 -0.44 -0.39 0.00 0.00 177.20 176.37 2q4s s SER 91 N -3.11 1.59 0.28 -2.24 0.01 -0.89 -4.64 113.70 104.71 2q4s s SER 91 Ca 0.56 -0.84 -0.29 0.00 1.31 0.00 0.00 55.95 56.68 2q4s s SER 91 Cb -0.27 -0.01 -0.10 0.00 0.21 0.00 0.00 66.02 65.85 2q4s s SER 91 CO 0.69 -0.25 1.09 -1.00 0.41 0.00 0.00 173.24 174.18 2q4s s HIS 92 N -2.53 3.58 -0.06 2.43 3.76 1.07 -4.55 115.29 119.00 2q4s s HIS 92 Ca 0.08 1.71 -0.02 0.00 -0.15 0.00 0.00 55.06 56.68 2q4s s HIS 92 Cb -0.02 -3.27 0.03 0.00 1.11 0.00 0.00 32.58 30.43 2q4s s HIS 92 CO 0.01 -0.52 0.03 0.00 -0.85 0.00 0.00 174.74 173.40 2q4s s PHE 94 N 2.02 3.01 -0.28 0.00 0.08 0.11 -1.36 117.98 121.56 2q4s s PHE 94 Ca 0.04 0.03 -0.02 0.00 0.12 0.00 0.00 56.93 57.10 2q4s s PHE 94 Cb -0.12 -1.63 0.09 0.00 -0.57 0.00 0.00 43.02 40.79 2q4s s PHE 94 CO -0.04 0.44 0.10 -1.17 -0.10 0.00 0.00 175.22 174.45 2q4s s LEU 95 N -1.66 1.49 -0.17 -0.37 0.20 0.51 -2.24 118.68 116.44 2q4s s LEU 95 Ca 0.20 -1.36 -0.05 0.00 0.69 0.00 0.00 54.13 53.61 2q4s s LEU 95 Cb -0.11 -0.65 -0.03 0.00 -0.43 0.00 0.00 46.19 44.97 2q4s s LEU 95 CO 0.11 -0.40 -0.01 -0.75 -0.29 0.00 0.00 176.35 175.01 2q4s s LYS 96 N 1.82 3.73 0.15 1.98 2.20 -0.32 -0.47 119.74 128.82 2q4s s LYS 96 Ca 0.07 -0.48 -0.30 0.00 -0.36 0.00 0.00 55.97 54.90 2q4s s LYS 96 Cb -0.17 -3.02 -0.07 0.00 -1.51 0.00 0.00 37.83 33.07 2q4s s LYS 96 CO -0.25 0.20 1.00 -0.51 -0.36 0.00 0.00 175.35 175.43 2q4s s LEU 97 N 0.51 4.51 -0.10 5.43 2.01 -0.52 -0.32 118.68 130.20 2q4s s LEU 97 Ca -0.01 1.90 0.13 0.00 0.01 0.00 0.00 54.13 56.15 2q4s s LEU 97 Cb -0.14 -3.60 -0.18 0.00 0.01 0.00 0.00 46.19 42.29 2q4s s LEU 97 CO 0.02 -0.09 0.12 0.18 1.01 0.00 0.00 176.35 177.60 2q4s n LEU 98 N 2.52 0.00 -3.61 1.79 4.77 0.25 -0.65 117.00 122.08 2q4s n LEU 98 Ca 0.02 0.00 -0.15 0.00 -0.03 0.00 0.00 56.01 55.85 2q4s n LEU 98 Cb 0.48 0.23 -0.07 0.00 -2.33 0.00 0.00 43.42 41.73 2q4s n LEU 98 CO 0.52 0.23 0.38 -1.58 -1.33 0.00 0.00 177.39 175.61 2q4s s GLN 99 N -2.52 0.87 2.71 3.23 0.74 -0.09 -4.82 119.66 119.78 2q4s s GLN 99 Ca -0.06 0.66 0.00 0.00 0.05 0.00 0.00 55.36 56.01 2q4s s GLN 99 Cb 0.05 0.42 0.00 0.00 1.10 0.00 0.00 33.01 34.58 2q4s s GLN 99 CO 0.56 -0.17 0.00 0.41 -0.55 0.00 0.00 175.29 175.53 2q4s n GLY 100 N 2.06 -0.33 2.97 2.59 0.00 -1.26 -1.28 105.19 109.94 2q4s n GLY 100 Ca -0.16 -1.06 -0.10 0.00 0.00 0.00 0.00 46.02 44.70 2q4s n GLY 100 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 2q4s s ASN 101 N -4.00 0.26 -0.02 1.61 0.01 -1.26 -3.61 114.94 107.93 2q4s s ASN 101 Ca 0.00 -0.40 0.04 0.00 -0.71 0.00 0.00 52.86 51.79 2q4s s ASN 101 Cb 0.00 0.07 -0.01 0.00 0.41 0.00 0.00 41.25 41.72 2q4s s ASN 101 CO 0.00 -0.22 -0.12 -0.76 -1.51 0.00 0.00 177.10 174.48 2q4s s LEU 102 N -1.15 1.95 -0.15 0.60 1.43 -1.00 -4.58 118.68 115.77 2q4s s LEU 102 Ca -0.12 -0.24 -0.13 0.00 -1.03 0.00 0.00 54.13 52.61 2q4s s LEU 102 Cb -0.08 -0.67 -0.05 0.00 0.03 0.00 0.00 46.19 45.42 2q4s s LEU 102 CO -0.01 0.13 0.29 -0.75 0.23 0.00 0.00 176.35 176.25 2q4s s LYS 103 N -0.14 4.18 -0.14 1.70 2.20 0.16 -0.73 119.74 126.98 2q4s s LYS 103 Ca 0.02 0.09 -0.02 0.00 -0.36 0.00 0.00 55.97 55.71 2q4s s LYS 103 Cb -0.07 -3.40 -0.02 0.00 -1.51 0.00 0.00 37.83 32.83 2q4s s LYS 103 CO 0.00 0.30 -0.08 -2.00 -0.36 0.00 0.00 175.35 173.22 2q4s s GLU 104 N 0.27 3.47 -0.15 4.03 2.12 0.39 -0.79 118.70 128.03 2q4s s GLU 104 Ca 0.17 -0.59 0.02 0.00 0.36 0.00 0.00 54.97 54.93 2q4s s GLU 104 Cb -0.13 -2.77 0.01 0.00 0.26 0.00 0.00 34.13 31.50 2q4s s GLU 104 CO 0.04 0.28 -0.21 0.99 -0.54 0.00 0.00 175.26 175.82 2q4s s THR 105 N 0.23 2.09 0.12 -1.70 2.01 -0.51 -1.24 115.64 116.65 2q4s s THR 105 Ca -0.05 -0.96 -0.13 0.00 0.31 0.00 0.00 61.69 60.86 2q4s s THR 105 Cb -0.15 -1.85 -0.07 0.00 0.01 0.00 0.00 72.50 70.45 2q4s s THR 105 CO 0.04 0.54 0.50 -0.76 -0.69 0.00 0.00 174.62 174.26 2q4s s LEU 106 N 0.97 4.35 -0.02 4.42 1.43 0.30 -0.26 118.68 129.87 2q4s s LEU 106 Ca -0.03 1.00 0.01 0.00 -1.03 0.00 0.00 54.13 54.08 2q4s s LEU 106 Cb -0.15 -3.15 0.01 0.00 0.03 0.00 0.00 46.19 42.93 2q4s s LEU 106 CO -0.05 0.13 -0.04 -0.36 0.23 0.00 0.00 176.35 176.26 2q4s s PHE 107 N -1.42 0.58 0.73 0.29 0.08 -0.08 -0.10 117.98 118.06 2q4s s PHE 107 Ca 0.36 -0.12 -0.11 0.00 0.12 0.00 0.00 56.93 57.18 2q4s s PHE 107 Cb -0.15 -0.47 0.03 0.00 -0.57 0.00 0.00 43.02 41.86 2q4s s PHE 107 CO 0.19 -0.09 1.07 -0.51 -0.10 0.00 0.00 175.22 175.78 2q4s s ASP 108 N 0.42 4.98 0.33 1.36 1.01 -1.26 -1.51 116.67 122.00 2q4s s ASP 108 Ca -0.05 1.69 -0.29 0.00 0.71 0.00 0.00 52.55 54.61 2q4s s ASP 108 Cb -0.09 -2.49 -0.11 0.00 1.01 0.00 0.00 42.92 41.25 2q4s s ASP 108 CO -0.00 -1.71 1.52 0.26 0.21 0.00 0.00 175.17 175.45 2q4s s TRP 109 N -2.99 2.71 0.50 4.23 0.52 -1.26 -4.80 118.94 117.86 2q4s s TRP 109 Ca 0.59 1.00 -0.23 0.00 0.02 0.00 0.00 56.10 57.49 2q4s s TRP 109 Cb -0.15 -4.01 -0.06 0.00 -1.15 0.00 0.00 33.47 28.10 2q4s s TRP 109 CO 0.55 -3.17 1.34 -2.14 0.02 0.00 0.00 176.95 173.55 2q4s s PRO 110 N -1.26 3.40 0.00 4.98 0.02 -1.26 -5.03 135.00 135.85 2q4s s PRO 110 Ca 0.58 2.19 0.00 0.00 0.02 0.00 0.00 61.00 63.79 2q4s s PRO 110 Cb -0.46 -2.39 0.00 0.00 0.02 0.00 0.00 34.50 31.66 2q4s s PRO 110 CO 0.55 -0.97 0.00 -0.25 -0.33 0.00 0.00 177.00 176.00 2q4s n ASP 111 N -0.70 0.00 0.00 2.53 8.00 -1.26 -5.06 116.55 120.06 2q4s n ASP 111 Ca 0.08 -0.40 0.00 0.00 0.71 0.00 0.00 54.79 55.18 2q4s n ASP 111 Cb 0.45 0.00 0.00 0.00 -0.02 0.00 0.00 41.12 41.55 2q4s n ASP 111 CO 0.00 0.00 0.00 0.29 -0.39 0.00 0.00 177.20 177.10 2q4s n LYS 112 N -0.40 0.00 -1.52 -1.24 4.76 -1.26 -4.80 118.16 113.70 2q4s n LYS 112 Ca 0.00 0.50 -0.42 0.00 -2.87 0.00 0.00 58.31 55.52 2q4s n LYS 112 Cb 0.00 -1.32 0.00 0.00 -1.84 0.00 0.00 35.03 31.87 2q4s n LYS 112 CO 0.00 0.00 0.00 1.63 -1.37 0.00 0.00 177.40 177.66 2q4s n LYS 113 N -2.00 0.88 -2.91 1.97 4.76 -1.26 -4.89 118.16 114.71 2q4s n LYS 113 Ca 0.00 0.32 -0.41 0.00 -2.87 0.00 0.00 58.31 55.34 2q4s n LYS 113 Cb 0.00 -1.68 -0.04 0.00 -1.84 0.00 0.00 35.03 31.46 2q4s n LYS 113 CO 0.00 0.00 0.00 0.45 -1.37 0.00 0.00 177.40 176.48 2q4s s SER 114 N -0.83 6.93 0.28 4.39 0.15 -1.26 -5.01 113.70 118.34 2q4s s SER 114 Ca 0.63 1.15 -0.14 0.00 0.70 0.00 0.00 55.95 58.28 2q4s s SER 114 Cb -0.63 -2.45 0.01 0.00 -1.71 0.00 0.00 66.02 61.25 2q4s s SER 114 CO 0.58 -0.39 0.57 0.20 1.20 0.00 0.00 173.24 175.39 2q4s s ASN 115 N 1.16 -0.03 0.00 5.45 0.01 -1.02 -5.00 114.94 115.51 2q4s s ASN 115 Ca 0.37 -0.92 0.00 0.00 -0.71 0.00 0.00 52.86 51.60 2q4s s ASN 115 Cb -0.16 0.66 0.00 0.00 0.41 0.00 0.00 41.25 42.15 2q4s s ASN 115 CO 0.12 -1.26 0.00 1.21 -1.51 0.00 0.00 177.10 175.66 2q4s n GLU 116 N -0.43 3.03 -3.64 -0.60 4.07 -0.90 -3.25 120.64 118.92 2q4s n GLU 116 Ca -0.03 0.00 -0.08 0.00 -0.06 0.00 0.00 57.16 57.00 2q4s n GLU 116 Cb 0.61 0.00 -0.07 0.00 -0.06 0.00 0.00 31.44 31.92 2q4s n GLU 116 CO 0.00 0.00 0.00 0.42 -0.06 0.00 0.00 177.13 177.49 2q4s s ILE 118 N 0.00 0.00 0.42 6.31 -1.09 -1.26 -4.96 121.20 120.62 2q4s s ILE 118 Ca 0.00 0.00 -0.25 0.00 -2.23 0.00 0.00 60.65 58.17 2q4s s ILE 118 Cb 0.00 -1.00 -0.10 0.00 -1.58 0.00 0.00 42.46 39.78 2q4s s ILE 118 CO 0.00 0.00 1.22 2.29 -1.23 0.00 0.00 174.94 177.22 2q4s n LYS 119 N 3.45 1.81 0.10 2.79 2.85 -1.26 -4.68 118.16 123.21 2q4s n LYS 119 Ca -0.17 0.64 0.09 0.00 -1.05 0.00 0.00 58.31 57.82 2q4s n LYS 119 Cb 0.57 -2.32 -0.01 0.00 -0.65 0.00 0.00 35.03 32.63 2q4s n LYS 119 CO 0.00 0.00 0.00 1.57 -0.05 0.00 0.00 177.40 178.92 2q4s h LYS 120 N 1.97 0.00 0.00 -1.58 2.10 -0.87 -3.49 116.57 114.70 2q4s h LYS 120 Ca -0.47 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.18 2q4s h LYS 120 Cb 1.30 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.63 2q4s h LYS 120 CO 0.59 0.07 0.00 -1.13 -2.00 0.00 0.00 179.45 176.99 2q4s n SER 121 N -2.76 0.00 -3.88 7.07 3.41 -1.23 -5.00 113.62 111.23 2q4s n SER 121 Ca -0.02 0.00 -0.09 0.00 -0.26 0.00 0.00 58.87 58.50 2q4s n SER 121 Cb 0.62 0.00 -0.08 0.00 -0.26 0.00 0.00 64.21 64.48 2q4s n SER 121 CO 0.00 0.00 0.00 -1.83 -0.16 0.00 0.00 175.04 173.05 2q4s s GLU 122 N -2.00 0.71 0.19 4.33 -1.05 -1.26 -0.54 118.70 119.09 2q4s s GLU 122 Ca 0.00 -0.79 -0.18 0.00 -0.15 0.00 0.00 54.97 53.85 2q4s s GLU 122 Cb 0.00 0.29 0.03 0.00 -0.44 0.00 0.00 34.13 34.01 2q4s s GLU 122 CO 0.00 -0.20 0.54 -0.98 0.95 0.00 0.00 175.26 175.57 2q4s s ARG 123 N -3.05 1.38 -0.28 -4.83 1.70 -0.37 -5.00 118.95 108.51 2q4s s ARG 123 Ca -0.01 -0.82 -0.08 0.00 -0.47 0.00 0.00 55.73 54.35 2q4s s ARG 123 Cb 0.01 0.53 -0.02 0.00 -0.57 0.00 0.00 34.95 34.91 2q4s s ARG 123 CO -0.07 -0.59 0.11 0.99 -1.08 0.00 0.00 175.30 174.67 2q4s s THR 124 N -3.86 4.49 -0.23 4.99 2.01 -1.26 -0.46 115.64 121.31 2q4s s THR 124 Ca 0.08 -0.28 -0.20 0.00 0.31 0.00 0.00 61.69 61.60 2q4s s THR 124 Cb -0.01 -3.19 -0.02 0.00 0.01 0.00 0.00 72.50 69.28 2q4s s THR 124 CO -0.04 0.20 0.61 -0.76 -0.69 0.00 0.00 174.62 173.94 2q4s s LEU 125 N 1.62 4.09 0.36 4.42 1.43 0.09 -5.00 118.68 125.69 2q4s s LEU 125 Ca 0.05 0.72 0.07 0.00 -1.03 0.00 0.00 54.13 53.95 2q4s s LEU 125 Cb -0.16 -2.83 -0.01 0.00 0.03 0.00 0.00 46.19 43.22 2q4s s LEU 125 CO 0.05 -0.32 0.46 -0.13 0.23 0.00 0.00 176.35 176.64 2q4s s ARG 126 N 2.24 2.97 0.09 1.70 0.52 -1.26 -2.39 118.95 122.82 2q4s s ARG 126 Ca 0.26 -1.13 -0.36 0.00 -0.52 0.00 0.00 55.73 53.98 2q4s s ARG 126 Cb -0.16 -2.73 -0.16 0.00 0.52 0.00 0.00 34.95 32.42 2q4s s ARG 126 CO 0.09 -0.01 1.40 0.39 0.02 0.00 0.00 175.30 177.19 2q4s n GLU 127 N -1.63 1.33 0.00 3.54 1.02 -1.24 -1.37 120.64 122.29 2q4s n GLU 127 Ca 0.01 0.48 0.00 0.00 -0.02 0.00 0.00 57.16 57.63 2q4s n GLU 127 Cb 0.59 -2.15 0.00 0.00 -0.02 0.00 0.00 31.44 29.86 2q4s n GLU 127 CO 0.00 0.00 0.00 0.09 1.18 0.00 0.00 177.13 178.40 2q4s n ASN 128 N 2.78 0.00 -4.80 1.62 3.02 0.18 -4.96 115.26 113.09 2q4s n ASN 128 Ca 0.18 0.00 -0.33 0.00 -0.03 0.00 0.00 54.58 54.40 2q4s n ASN 128 Cb 0.21 0.00 -0.00 0.00 -0.61 0.00 0.00 39.78 39.37 2q4s n ASN 128 CO 0.00 0.00 0.00 -1.58 -2.62 0.00 0.00 177.26 173.06 2q4s s GLN 129 N -0.01 3.47 -0.16 3.52 0.74 -0.47 -4.63 119.66 122.12 2q4s s GLN 129 Ca 0.00 1.31 0.00 0.00 0.05 0.00 0.00 55.36 56.73 2q4s s GLN 129 Cb 0.00 -2.05 0.03 0.00 1.10 0.00 0.00 33.01 32.09 2q4s s GLN 129 CO 0.00 -0.70 -0.14 0.00 -0.55 0.00 0.00 175.29 173.90 2q4s s ALA 131 N 1.46 4.15 0.01 0.00 0.00 0.37 -4.90 121.76 122.85 2q4s s ALA 131 Ca 0.04 -1.39 0.00 0.00 0.00 0.00 0.00 51.96 50.61 2q4s s ALA 131 Cb -0.14 -1.70 -0.01 0.00 0.00 0.00 0.00 23.12 21.28 2q4s s ALA 131 CO -0.10 0.03 -0.02 -0.47 0.00 0.00 0.00 175.76 175.20 2q4s s TYR 132 N -2.13 0.19 0.03 0.00 6.14 -1.26 -0.36 117.35 119.96 2q4s s TYR 132 Ca 0.42 -0.21 -0.12 0.00 0.64 0.00 0.00 57.07 57.80 2q4s s TYR 132 Cb -0.09 -0.13 0.02 0.00 0.42 0.00 0.00 41.96 42.17 2q4s s TYR 132 CO 0.31 -0.06 0.27 -1.50 0.64 0.00 0.00 175.55 175.20 2q4s s ILE 133 N -0.55 0.08 0.26 3.14 2.07 -0.46 -5.03 121.20 120.72 2q4s s ILE 133 Ca -0.05 -0.69 -0.07 0.00 -1.41 0.00 0.00 60.65 58.43 2q4s s ILE 133 Cb -0.04 -0.82 -0.01 0.00 0.13 0.00 0.00 42.46 41.72 2q4s s ILE 133 CO -0.00 -0.38 0.39 0.54 -1.91 0.00 0.00 174.94 173.57 2q4s s ASN 134 N -1.85 0.27 0.47 4.50 2.20 -1.26 -2.14 114.94 117.12 2q4s s ASN 134 Ca -0.08 -1.21 0.21 0.00 -0.94 0.00 0.00 52.86 50.84 2q4s s ASN 134 Cb -0.02 0.55 1.15 0.00 -2.00 0.00 0.00 41.25 40.93 2q4s s ASN 134 CO -0.01 -1.11 1.98 0.44 -2.94 0.00 0.00 177.10 175.46 2q4s h ASP 135 N 2.31 0.00 0.23 3.54 3.32 -1.80 -2.29 116.42 121.73 2q4s h ASP 135 Ca -0.29 0.00 -0.10 0.00 0.02 0.00 0.00 57.03 56.66 2q4s h ASP 135 Cb 1.25 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 40.78 2q4s h ASP 135 CO 0.41 0.20 -0.39 0.28 -1.72 0.00 0.00 179.24 178.01 2q4s h SER 136 N 0.00 0.23 -0.27 6.45 0.02 -1.97 -3.02 113.55 114.98 2q4s h SER 136 Ca -0.00 -0.09 -0.19 0.00 -0.84 0.00 0.00 61.79 60.67 2q4s h SER 136 Cb 0.42 -0.06 0.00 0.00 0.14 0.00 0.00 62.40 62.90 2q4s h SER 136 CO 0.03 0.60 -0.56 0.40 -1.14 0.00 0.00 176.83 176.15 2q4s h ILE 137 N 0.19 1.28 0.00 3.27 2.04 -1.83 -3.50 117.51 118.95 2q4s h ILE 137 Ca 0.02 -1.75 0.00 0.00 1.00 0.00 0.00 64.86 64.13 2q4s h ILE 137 Cb 0.78 1.68 0.00 0.00 -0.74 0.00 0.00 36.82 38.54 2q4s h ILE 137 CO 0.06 0.57 0.00 0.61 0.00 0.00 0.00 178.15 179.39 2q4s n GLY 138 N 0.41 0.51 3.52 5.37 0.00 -1.07 -4.97 105.19 108.97 2q4s n GLY 138 Ca -0.05 -1.51 -0.25 0.00 0.00 0.00 0.00 46.02 44.21 2q4s n GLY 138 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2q4s s LEU 139 N 0.00 2.79 0.24 0.99 1.43 -0.57 -4.37 118.68 119.20 2q4s s LEU 139 Ca 0.00 -0.77 -0.02 0.00 -1.03 0.00 0.00 54.13 52.31 2q4s s LEU 139 Cb 0.00 -1.42 -0.03 0.00 0.03 0.00 0.00 46.19 44.78 2q4s s LEU 139 CO 0.00 0.07 0.25 -1.38 0.23 0.00 0.00 176.35 175.52 2q4s s HIS 140 N -2.01 1.13 0.09 0.29 -3.43 -1.04 -0.90 115.29 109.42 2q4s s HIS 140 Ca 0.26 -1.32 0.08 0.00 -0.80 0.00 0.00 55.06 53.29 2q4s s HIS 140 Cb -0.07 -0.42 -0.03 0.00 -1.43 0.00 0.00 32.58 30.62 2q4s s HIS 140 CO 0.15 -0.79 -0.21 0.50 -2.00 0.00 0.00 174.74 172.39 2q4s s ARG 141 N -3.91 1.21 -0.07 -0.38 3.52 0.64 -1.35 118.95 118.62 2q4s s ARG 141 Ca 0.36 -1.13 0.03 0.00 -0.13 0.00 0.00 55.73 54.86 2q4s s ARG 141 Cb 0.04 -1.47 0.01 0.00 -1.56 0.00 0.00 34.95 31.97 2q4s s ARG 141 CO 0.15 0.35 -0.17 0.08 -0.81 0.00 0.00 175.30 174.90 2q4s s VAL 142 N -1.07 1.47 -0.06 7.11 1.01 -1.26 -1.42 120.40 126.18 2q4s s VAL 142 Ca 0.07 -0.69 -0.05 0.00 0.00 0.00 0.00 61.98 61.31 2q4s s VAL 142 Cb -0.10 -1.30 0.02 0.00 0.00 0.00 0.00 36.38 35.00 2q4s s VAL 142 CO 0.04 0.43 0.16 -1.61 0.00 0.00 0.00 175.10 174.11 2q4s s GLU 143 N 0.41 0.17 -0.94 2.72 2.02 0.03 0.16 118.70 123.27 2q4s s GLU 143 Ca -0.13 0.25 -0.10 0.00 0.02 0.00 0.00 54.97 55.01 2q4s s GLU 143 Cb -0.15 0.04 0.24 0.00 0.10 0.00 0.00 34.13 34.36 2q4s s GLU 143 CO 0.05 -0.05 0.89 1.21 0.02 0.00 0.00 175.26 177.38 2q4s s ASN 144 N 0.29 6.84 0.00 -0.19 2.47 -0.82 0.39 114.94 123.93 2q4s s ASN 144 Ca -0.02 -3.17 0.15 0.00 0.42 0.00 0.00 52.86 50.24 2q4s s ASN 144 Cb -0.03 -2.16 0.87 0.00 -1.45 0.00 0.00 41.25 38.48 2q4s s ASN 144 CO -0.01 -0.41 1.33 1.33 -3.72 0.00 0.00 177.10 175.62 2q4s n VAL 145 N 3.27 0.00 -1.81 -5.21 0.24 -1.26 -1.90 118.33 111.65 2q4s n VAL 145 Ca 0.18 0.00 -0.38 0.00 -2.04 0.00 0.00 64.34 62.11 2q4s n VAL 145 Cb 0.42 -0.54 0.05 0.00 -1.47 0.00 0.00 33.84 32.30 2q4s n VAL 145 CO 0.00 0.00 0.00 -0.55 -2.14 0.00 0.00 176.83 174.14 2q4s s SER 146 N -1.82 5.07 -0.01 -1.34 0.15 -1.26 -4.68 113.70 109.82 2q4s s SER 146 Ca 0.22 2.66 0.21 0.00 0.70 0.00 0.00 55.95 59.74 2q4s s SER 146 Cb 0.10 -2.62 -0.25 0.00 -1.71 0.00 0.00 66.02 61.53 2q4s s SER 146 CO 0.17 -1.70 0.80 1.41 1.20 0.00 0.00 173.24 175.12 2q4s n HIS 147 N -1.36 0.00 0.00 3.44 8.25 -1.26 -1.92 115.22 122.36 2q4s n HIS 147 Ca 0.12 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.58 2q4s n HIS 147 Cb 0.47 -0.11 0.00 0.00 1.12 0.00 0.00 29.99 31.47 2q4s n HIS 147 CO 0.00 0.00 0.00 0.25 0.64 0.00 0.00 176.34 177.23 2q4s n THR 148 N -1.66 0.00 -5.07 1.59 -2.24 -1.26 -4.94 114.28 100.70 2q4s n THR 148 Ca 0.02 -0.12 -0.30 0.00 -2.27 0.00 0.00 64.05 61.39 2q4s n THR 148 Cb 0.38 0.57 -0.17 0.00 -2.10 0.00 0.00 70.33 69.01 2q4s n THR 148 CO 0.00 0.00 0.00 -1.61 -0.57 0.00 0.00 175.07 172.89 2q4s s GLU 149 N -1.28 2.58 1.00 -0.78 0.41 -1.26 -5.04 118.70 114.33 2q4s s GLU 149 Ca 0.00 -0.77 -0.12 0.00 -0.41 0.00 0.00 54.97 53.67 2q4s s GLU 149 Cb 0.00 -2.03 0.19 0.00 -1.78 0.00 0.00 34.13 30.51 2q4s s GLU 149 CO 0.00 0.19 1.09 -1.25 -0.49 0.00 0.00 175.26 174.80 2q4s s PRO 150 N 0.30 0.38 0.06 0.39 0.04 -1.26 -4.61 135.00 130.29 2q4s s PRO 150 Ca -0.14 0.49 0.08 0.00 0.04 0.00 0.00 61.00 61.46 2q4s s PRO 150 Cb -0.16 -1.73 -0.03 0.00 0.04 0.00 0.00 34.50 32.62 2q4s s PRO 150 CO 0.06 -2.76 -0.21 0.00 0.04 0.00 0.00 177.00 174.13 2q4s s ALA 151 N -2.98 1.82 -0.06 8.56 0.00 0.23 -4.09 121.76 125.24 2q4s s ALA 151 Ca 0.65 -1.12 -0.02 0.00 0.00 0.00 0.00 51.96 51.47 2q4s s ALA 151 Cb -0.18 -0.34 0.04 0.00 0.00 0.00 0.00 23.12 22.64 2q4s s ALA 151 CO 0.57 0.40 0.12 0.08 0.00 0.00 0.00 175.76 176.94 2q4s s VAL 152 N -0.87 -0.10 0.23 0.00 1.01 -0.40 0.53 120.40 120.80 2q4s s VAL 152 Ca 0.08 0.24 0.03 0.00 0.00 0.00 0.00 61.98 62.33 2q4s s VAL 152 Cb -0.09 -0.22 -0.05 0.00 0.00 0.00 0.00 36.38 36.02 2q4s s VAL 152 CO 0.02 0.10 0.01 -0.55 0.00 0.00 0.00 175.10 174.68 2q4s s SER 153 N 1.46 1.71 -0.13 3.32 0.15 -0.27 0.88 113.70 120.82 2q4s s SER 153 Ca -0.06 -1.23 0.03 0.00 0.70 0.00 0.00 55.95 55.39 2q4s s SER 153 Cb -0.12 0.03 0.01 0.00 -1.71 0.00 0.00 66.02 64.23 2q4s s SER 153 CO -0.05 -0.54 -0.22 -0.22 1.20 0.00 0.00 173.24 173.41 2q4s s LEU 154 N -3.29 2.07 -0.11 3.45 2.96 0.56 -0.97 118.68 123.35 2q4s s LEU 154 Ca 0.29 -0.58 0.02 0.00 -0.22 0.00 0.00 54.13 53.64 2q4s s LEU 154 Cb 0.06 -1.40 0.02 0.00 0.50 0.00 0.00 46.19 45.36 2q4s s LEU 154 CO 0.09 0.10 -0.15 -1.00 -1.32 0.00 0.00 176.35 174.06 2q4s s HIS 155 N 0.70 2.01 -0.11 5.38 3.76 -1.26 -1.17 115.29 124.60 2q4s s HIS 155 Ca -0.10 -0.97 0.02 0.00 -0.15 0.00 0.00 55.06 53.86 2q4s s HIS 155 Cb -0.16 -1.45 -0.01 0.00 1.11 0.00 0.00 32.58 32.07 2q4s s HIS 155 CO 0.01 -0.50 -0.17 -1.17 -0.85 0.00 0.00 174.74 172.06 2q4s s LEU 156 N 1.02 2.50 -0.07 0.89 0.20 -0.95 -4.13 118.68 118.14 2q4s s LEU 156 Ca -0.06 -0.39 0.03 0.00 0.69 0.00 0.00 54.13 54.40 2q4s s LEU 156 Cb -0.15 -1.53 0.01 0.00 -0.43 0.00 0.00 46.19 44.09 2q4s s LEU 156 CO -0.02 0.19 -0.17 -0.31 -0.29 0.00 0.00 176.35 175.75 2q4s s TYR 157 N 0.20 1.87 -0.11 5.38 2.02 -0.39 0.05 117.35 126.36 2q4s s TYR 157 Ca -0.10 -0.70 -0.04 0.00 -0.37 0.00 0.00 57.07 55.86 2q4s s TYR 157 Cb -0.16 -1.30 0.05 0.00 -0.40 0.00 0.00 41.96 40.16 2q4s s TYR 157 CO 0.06 -0.31 0.15 0.45 -1.57 0.00 0.00 175.55 174.33 2q4s s SER 158 N 0.47 1.10 0.97 2.29 0.15 0.17 -1.34 113.70 117.51 2q4s s SER 158 Ca -0.15 0.09 -0.12 0.00 0.70 0.00 0.00 55.95 56.48 2q4s s SER 158 Cb -0.16 0.18 0.17 0.00 -1.71 0.00 0.00 66.02 64.50 2q4s s SER 158 CO 0.05 -0.27 1.09 -2.84 1.20 0.00 0.00 173.24 172.47 2q4s s PRO 159 N 2.27 0.67 0.41 5.44 0.02 -1.26 0.35 135.00 142.89 2q4s s PRO 159 Ca 0.04 0.78 -0.25 0.00 0.02 0.00 0.00 61.00 61.58 2q4s s PRO 159 Cb -0.13 -1.74 -0.08 0.00 0.02 0.00 0.00 34.50 32.56 2q4s s PRO 159 CO -0.07 -2.63 1.23 -2.14 -0.33 0.00 0.00 177.00 173.06 2q4s s PRO 160 N -4.85 3.98 -0.06 5.54 0.02 -1.25 -4.71 135.00 133.66 2q4s s PRO 160 Ca 0.65 1.98 -0.13 0.00 0.02 0.00 0.00 61.00 63.53 2q4s s PRO 160 Cb -0.19 -2.69 0.03 0.00 0.02 0.00 0.00 34.50 31.66 2q4s s PRO 160 CO 0.58 -0.43 0.31 -0.59 -0.33 0.00 0.00 177.00 176.55 2q4s s PHE 161 N -1.34 -0.25 -0.02 6.54 -0.12 -1.26 -5.01 117.98 116.52 2q4s s PHE 161 Ca 0.58 0.52 0.03 0.00 -0.05 0.00 0.00 56.93 58.01 2q4s s PHE 161 Cb -0.34 0.10 0.04 0.00 -0.63 0.00 0.00 43.02 42.19 2q4s s PHE 161 CO 0.43 -0.29 0.96 -0.40 -0.05 0.00 0.00 175.22 175.87 2q4s n ASP 162 N 2.03 1.73 -4.04 1.98 5.68 -1.26 -5.01 116.55 117.66 2q4s n ASP 162 Ca -0.18 -2.03 -0.13 0.00 -0.50 0.00 0.00 54.79 51.95 2q4s n ASP 162 Cb 0.57 -0.07 -0.12 0.00 -1.14 0.00 0.00 41.12 40.36 2q4s n ASP 162 CO 0.00 0.00 0.00 0.42 -1.33 0.00 0.00 177.20 176.29 2q4s s THR 163 N -1.12 0.51 0.06 2.12 -4.23 -1.26 -4.56 115.64 107.16 2q4s s THR 163 Ca 0.05 -0.92 -0.02 0.00 -1.18 0.00 0.00 61.69 59.62 2q4s s THR 163 Cb 0.04 -0.55 0.01 0.00 1.34 0.00 0.00 72.50 73.33 2q4s s THR 163 CO 0.00 -0.29 0.11 0.00 -0.54 0.00 0.00 174.62 173.90 2q4s s HIS 165 N -7.19 2.36 -0.10 0.00 3.76 -1.26 -0.63 115.29 112.25 2q4s s HIS 165 Ca 0.03 -0.38 0.00 0.00 -0.15 0.00 0.00 55.06 54.56 2q4s s HIS 165 Cb -0.01 -1.39 -0.03 0.00 1.11 0.00 0.00 32.58 32.27 2q4s s HIS 165 CO 0.02 0.17 -0.08 0.00 -0.85 0.00 0.00 174.74 174.00 2q4s s ALA 166 N -0.86 2.87 0.23 -1.40 0.00 0.09 -3.10 121.76 119.60 2q4s s ALA 166 Ca 0.13 -0.89 0.05 0.00 0.00 0.00 0.00 51.96 51.25 2q4s s ALA 166 Cb -0.10 -1.26 -0.03 0.00 0.00 0.00 0.00 23.12 21.73 2q4s s ALA 166 CO 0.03 0.44 0.27 -0.06 0.00 0.00 0.00 175.76 176.44 2q4s s PHE 167 N -0.34 3.31 -0.38 0.00 0.08 -0.68 -0.87 117.98 119.11 2q4s s PHE 167 Ca 0.04 -0.04 -0.14 0.00 0.12 0.00 0.00 56.93 56.92 2q4s s PHE 167 Cb -0.12 -1.52 0.00 0.00 -0.57 0.00 0.00 43.02 40.81 2q4s s PHE 167 CO 0.02 0.48 0.27 0.34 -0.10 0.00 0.00 175.22 176.24 2q4s s ASP 168 N -3.76 6.06 0.39 1.36 2.15 0.17 -4.45 116.67 118.58 2q4s s ASP 168 Ca 0.33 -0.68 0.09 0.00 0.43 0.00 0.00 52.55 52.72 2q4s s ASP 168 Cb -0.09 -2.14 0.84 0.00 -0.30 0.00 0.00 42.92 41.23 2q4s s ASP 168 CO 0.27 -0.35 1.96 -0.61 -0.17 0.00 0.00 175.17 176.27 2q4s h GLN 169 N 8.56 0.62 0.00 4.34 4.15 -1.95 0.94 115.11 131.76 2q4s h GLN 169 Ca -0.29 -0.04 -0.10 0.00 0.77 0.00 0.00 58.65 58.99 2q4s h GLN 169 Cb 1.14 -0.14 -0.01 0.00 0.21 0.00 0.00 27.48 28.67 2q4s h GLN 169 CO 0.68 0.41 -0.47 0.00 -1.93 0.00 0.00 178.83 177.52 2q4s h ARG 170 N 0.63 0.00 0.00 1.69 2.47 -1.93 -3.40 114.38 113.84 2q4s h ARG 170 Ca 0.31 0.00 0.00 0.00 -1.26 0.00 0.00 59.98 59.03 2q4s h ARG 170 Cb 0.38 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 28.70 2q4s h ARG 170 CO -0.10 0.47 -0.81 0.25 0.56 0.00 0.00 179.97 180.34 2q4s n THR 171 N -3.60 0.00 -0.25 2.04 -2.24 -0.89 -2.12 114.28 107.21 2q4s n THR 171 Ca -0.00 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.78 2q4s n THR 171 Cb 0.56 -0.59 0.00 0.00 -2.10 0.00 0.00 70.33 68.20 2q4s n THR 171 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2q4s n GLY 172 N 2.43 0.69 3.77 3.38 0.00 0.32 -2.43 105.19 113.35 2q4s n GLY 172 Ca 0.00 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.64 2q4s n GLY 172 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 173.32 171.74 2q4s s HIS 173 N -2.37 3.63 0.39 1.61 5.04 -1.25 -4.64 115.29 117.71 2q4s s HIS 173 Ca 0.00 1.76 0.08 0.00 -1.54 0.00 0.00 55.06 55.36 2q4s s HIS 173 Cb 0.00 -3.05 -0.08 0.00 0.04 0.00 0.00 32.58 29.50 2q4s s HIS 173 CO 0.00 -0.08 -0.01 -1.59 -2.34 0.00 0.00 174.74 170.72 2q4s s LYS 174 N -1.88 1.93 -0.02 2.88 -2.85 -1.26 0.41 119.74 118.95 2q4s s LYS 174 Ca 0.49 -2.07 -0.10 0.00 -1.00 0.00 0.00 55.97 53.29 2q4s s LYS 174 Cb -0.23 -1.65 0.01 0.00 -2.06 0.00 0.00 37.83 33.90 2q4s s LYS 174 CO 0.29 -0.01 0.22 0.54 0.10 0.00 0.00 175.35 176.50 2q4s s ASN 175 N -3.69 -0.11 -0.00 0.03 4.22 -0.04 -4.96 114.94 110.39 2q4s s ASN 175 Ca 0.34 0.03 -0.25 0.00 -2.14 0.00 0.00 52.86 50.84 2q4s s ASN 175 Cb 0.08 0.30 -0.04 0.00 1.28 0.00 0.00 41.25 42.87 2q4s s ASN 175 CO 0.18 -0.34 0.79 -0.75 -2.04 0.00 0.00 177.10 174.93 2q4s s LYS 176 N -1.07 4.49 0.08 3.55 2.20 -1.26 -0.73 119.74 127.00 2q4s s LYS 176 Ca -0.11 1.07 0.09 0.00 -0.36 0.00 0.00 55.97 56.66 2q4s s LYS 176 Cb -0.06 -3.41 -0.03 0.00 -1.51 0.00 0.00 37.83 32.82 2q4s s LYS 176 CO 0.02 0.14 -0.24 0.08 -0.36 0.00 0.00 175.35 174.99 2q4s s VAL 177 N 0.46 1.96 0.00 4.02 1.01 0.20 -4.94 120.40 123.11 2q4s s VAL 177 Ca 0.41 -1.48 0.00 0.00 0.00 0.00 0.00 61.98 60.91 2q4s s VAL 177 Cb -0.20 -1.72 0.00 0.00 0.00 0.00 0.00 36.38 34.46 2q4s s VAL 177 CO 0.22 0.15 0.00 0.41 0.00 0.00 0.00 175.10 175.89 2q4s n THR 178 N 1.39 0.00 -3.64 3.92 -1.04 -1.26 -2.08 114.28 111.57 2q4s n THR 178 Ca -0.18 0.00 -0.02 0.00 -2.04 0.00 0.00 64.05 61.82 2q4s n THR 178 Cb 0.53 -0.86 -0.01 0.00 -1.82 0.00 0.00 70.33 68.16 2q4s n THR 178 CO 0.00 0.00 0.00 0.42 -0.64 0.00 0.00 175.07 174.85 2q4s s THR 180 N 2.05 0.00 -0.07 12.58 -4.23 -1.26 -4.99 115.64 119.71 2q4s s THR 180 Ca 0.00 -0.29 0.01 0.00 -1.18 0.00 0.00 61.69 60.23 2q4s s THR 180 Cb 0.00 -1.75 -0.03 0.00 1.34 0.00 0.00 72.50 72.06 2q4s s THR 180 CO 0.00 0.00 -0.08 -0.36 -0.54 0.00 0.00 174.62 173.64 2q4s s PHE 181 N -2.72 2.90 -0.29 3.99 0.08 -1.26 -4.62 117.98 116.05 2q4s s PHE 181 Ca 0.12 -0.06 0.20 0.00 0.12 0.00 0.00 56.93 57.31 2q4s s PHE 181 Cb 0.02 -1.72 0.15 0.00 -0.57 0.00 0.00 43.02 40.90 2q4s s PHE 181 CO -0.03 0.26 1.38 1.25 -0.10 0.00 0.00 175.22 177.98 2q4s h HIS 182 N 5.44 0.00 -2.45 0.36 -0.00 -0.46 -3.43 115.15 114.61 2q4s h HIS 182 Ca -0.46 0.00 0.09 0.00 -0.00 0.00 0.00 60.37 60.00 2q4s h HIS 182 Cb 1.17 0.00 -0.14 0.00 -0.00 0.00 0.00 27.41 28.44 2q4s h HIS 182 CO 0.55 0.20 0.43 -1.54 -0.00 0.00 0.00 177.93 177.56 2q4s s SER 183 N -6.08 -0.39 -0.02 3.26 1.04 -1.22 -2.58 113.70 107.71 2q4s s SER 183 Ca 0.04 -0.04 0.00 0.00 0.48 0.00 0.00 55.95 56.43 2q4s s SER 183 Cb 0.07 0.44 0.03 0.00 0.10 0.00 0.00 66.02 66.66 2q4s s SER 183 CO 0.73 -0.73 0.02 -0.54 0.98 0.00 0.00 173.24 173.70 2q4s s LYS 184 N -3.28 0.07 -1.60 4.02 1.02 0.11 -1.31 119.74 118.78 2q4s s LYS 184 Ca 0.05 0.14 -0.15 0.00 0.02 0.00 0.00 55.97 56.04 2q4s s LYS 184 Cb -0.01 -0.32 0.11 0.00 -0.52 0.00 0.00 37.83 37.09 2q4s s LYS 184 CO -0.09 -0.15 0.85 1.19 -0.92 0.00 0.00 175.35 176.23 2q4s n PHE 185 N 4.12 -2.00 -0.25 3.18 3.72 -0.14 -0.41 117.46 125.68 2q4s n PHE 185 Ca -0.27 0.85 0.00 0.00 -0.05 0.00 0.00 57.45 57.98 2q4s n PHE 185 Cb 0.50 -3.52 0.00 0.00 -0.94 0.00 0.00 39.48 35.53 2q4s n PHE 185 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 2q4s n GLY 186 N -1.58 2.08 3.58 1.37 0.00 -1.26 -5.02 105.19 104.36 2q4s n GLY 186 Ca 0.02 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.67 2q4s n GLY 186 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2q4s s ILE 187 N -3.11 5.04 0.26 -0.61 -1.09 0.45 -4.95 121.20 117.19 2q4s s ILE 187 Ca 0.00 0.07 -0.30 0.00 -2.23 0.00 0.00 60.65 58.19 2q4s s ILE 187 Cb 0.00 -3.36 -0.11 0.00 -1.58 0.00 0.00 42.46 37.41 2q4s s ILE 187 CO 0.00 0.32 1.56 -0.60 -1.23 0.00 0.00 174.94 174.99 2q4s s ARG 188 N 1.39 4.17 -0.54 2.79 6.06 -1.26 0.09 118.95 131.65 2q4s s ARG 188 Ca 0.07 2.48 0.04 0.00 -2.50 0.00 0.00 55.73 55.81 2q4s s ARG 188 Cb -0.15 -3.07 0.15 0.00 0.06 0.00 0.00 34.95 31.95 2q4s s ARG 188 CO 0.06 -0.58 0.35 0.95 -2.50 0.00 0.00 175.30 173.58 2q4s s THR 189 N 0.27 1.85 -2.00 4.11 -4.23 -1.07 -4.88 115.64 109.69 2q4s s THR 189 Ca 0.64 -3.28 0.04 0.00 -1.18 0.00 0.00 61.69 57.92 2q4s s THR 189 Cb -0.46 -2.25 0.13 0.00 1.34 0.00 0.00 72.50 71.26 2q4s s THR 189 CO 0.43 -0.99 0.74 -2.65 -0.54 0.00 0.00 174.62 171.60