#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 4.69 0.16 4.31 1.43 -1.26 -5.05 118.68 122.95 2q4s s LEU 6 Ca 0.00 -0.48 0.03 0.00 -1.03 0.00 0.00 54.13 52.64 2q4s s LEU 6 Cb 0.00 -2.38 -0.03 0.00 0.03 0.00 0.00 46.19 43.81 2q4s s LEU 6 CO 0.00 -0.49 0.28 -0.76 0.23 0.00 0.00 176.35 175.62 2q4s s LEU 7 N 2.10 4.31 -0.08 1.79 1.43 -1.26 -5.07 118.68 121.91 2q4s s LEU 7 Ca 0.12 0.15 -0.30 0.00 -1.03 0.00 0.00 54.13 53.07 2q4s s LEU 7 Cb -0.17 -2.88 -0.04 0.00 0.03 0.00 0.00 46.19 43.13 2q4s s LEU 7 CO 0.13 0.04 1.40 -0.75 0.23 0.00 0.00 176.35 177.40 2q4s s LYS 8 N -3.29 4.25 -0.12 1.70 2.20 -1.26 -4.97 119.74 118.24 2q4s s LYS 8 Ca 0.34 1.89 -0.29 0.00 -0.36 0.00 0.00 55.97 57.55 2q4s s LYS 8 Cb -0.11 -3.74 -0.02 0.00 -1.51 0.00 0.00 37.83 32.45 2q4s s LYS 8 CO 0.28 -0.67 1.28 -2.14 -0.36 0.00 0.00 175.35 173.73 2q4s s PRO 9 N 3.16 4.26 0.33 4.03 0.02 -1.26 -4.87 135.00 140.67 2q4s s PRO 9 Ca 0.62 1.71 0.24 0.00 0.02 0.00 0.00 61.00 63.59 2q4s s PRO 9 Cb -0.28 -3.71 0.42 0.00 0.02 0.00 0.00 34.50 30.95 2q4s s PRO 9 CO 0.23 -0.64 1.57 0.00 -0.33 0.00 0.00 177.00 177.83 2q4s h ARG 10 N 8.06 0.00 -4.13 5.54 2.47 -1.93 -3.43 114.38 120.96 2q4s h ARG 10 Ca -0.30 0.00 -0.14 0.00 -1.26 0.00 0.00 59.98 58.28 2q4s h ARG 10 Cb 1.13 0.00 -0.13 0.00 -1.65 0.00 0.00 29.97 29.31 2q4s h ARG 10 CO 0.94 0.00 -0.45 0.95 0.56 0.00 0.00 179.97 181.98 2q4s s THR 11 N -3.20 0.06 0.12 2.04 -4.23 -1.26 -5.00 115.64 104.18 2q4s s THR 11 Ca 0.07 -1.64 -0.17 0.00 -1.18 0.00 0.00 61.69 58.77 2q4s s THR 11 Cb 0.08 -2.03 -0.03 0.00 1.34 0.00 0.00 72.50 71.86 2q4s s THR 11 CO 0.67 -0.28 1.65 0.25 -0.54 0.00 0.00 174.62 176.37 2q4s h LEU 12 N 2.63 0.47 -1.70 4.79 5.85 -1.92 0.11 115.31 125.53 2q4s h LEU 12 Ca -0.33 -0.18 -0.02 0.00 0.84 0.00 0.00 57.88 58.19 2q4s h LEU 12 Cb 1.22 -0.12 -0.01 0.00 0.37 0.00 0.00 40.66 42.12 2q4s h LEU 12 CO 0.51 0.53 -0.02 0.00 -0.34 0.00 0.00 178.44 179.11 2q4s h ALA 13 N 0.96 1.76 -0.15 1.25 0.00 -1.97 -0.47 119.26 120.65 2q4s h ALA 13 Ca 0.11 -0.09 -0.10 0.00 0.00 0.00 0.00 54.91 54.83 2q4s h ALA 13 Cb 0.21 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 17.94 2q4s h ALA 13 CO -0.01 0.18 -0.30 0.22 0.00 0.00 0.00 179.25 179.35 2q4s h ASP 14 N 0.15 0.53 -0.92 0.00 3.58 -1.79 -1.95 116.42 116.02 2q4s h ASP 14 Ca 0.04 -0.55 0.11 0.00 0.42 0.00 0.00 57.03 57.04 2q4s h ASP 14 Cb 0.15 -0.15 -0.08 0.00 1.72 0.00 0.00 39.33 40.97 2q4s h ASP 14 CO 0.00 0.98 0.55 0.25 -2.88 0.00 0.00 179.24 178.15 2q4s h LEU 15 N 0.09 0.81 -0.31 2.28 5.85 -0.01 -2.16 115.31 121.87 2q4s h LEU 15 Ca 0.01 0.05 -0.09 0.00 0.84 0.00 0.00 57.88 58.69 2q4s h LEU 15 Cb 0.89 -0.11 -0.01 0.00 0.37 0.00 0.00 40.66 41.80 2q4s h LEU 15 CO 0.07 0.45 -0.14 0.40 -0.34 0.00 0.00 178.44 178.87 2q4s h ILE 16 N 0.91 1.29 -0.87 4.05 2.04 -0.93 -1.39 117.51 122.61 2q4s h ILE 16 Ca 0.45 -1.24 0.07 0.00 1.00 0.00 0.00 64.86 65.14 2q4s h ILE 16 Cb 0.41 1.43 -0.07 0.00 -0.74 0.00 0.00 36.82 37.86 2q4s h ILE 16 CO -0.25 0.40 0.53 -0.09 0.00 0.00 0.00 178.15 178.74 2q4s h ARG 17 N 0.41 0.91 -0.39 2.37 2.43 -1.03 -1.15 114.38 117.93 2q4s h ARG 17 Ca 0.07 -0.05 -0.03 0.00 -0.81 0.00 0.00 59.98 59.15 2q4s h ARG 17 Cb 0.67 -0.21 -0.02 0.00 -0.42 0.00 0.00 29.97 29.99 2q4s h ARG 17 CO 0.04 0.60 0.12 0.82 -1.51 0.00 0.00 179.97 180.05 2q4s h ILE 18 N 0.94 1.21 -0.57 1.20 2.04 -1.21 -2.37 117.51 118.76 2q4s h ILE 18 Ca 0.39 -0.70 0.06 0.00 1.00 0.00 0.00 64.86 65.60 2q4s h ILE 18 Cb 0.23 0.94 -0.03 0.00 -0.74 0.00 0.00 36.82 37.22 2q4s h ILE 18 CO -0.20 0.25 0.38 -0.07 0.00 0.00 0.00 178.15 178.51 2q4s h LEU 19 N 0.48 0.49 -1.84 1.44 3.38 -0.33 0.17 115.31 119.10 2q4s h LEU 19 Ca 0.13 -0.00 -0.02 0.00 0.09 0.00 0.00 57.88 58.07 2q4s h LEU 19 Cb 0.26 -0.11 -0.00 0.00 0.09 0.00 0.00 40.66 40.90 2q4s h LEU 19 CO -0.00 0.33 -0.10 0.45 0.09 0.00 0.00 178.44 179.20 2q4s h HIS 20 N 0.56 0.00 -0.00 1.13 3.86 -0.71 -2.17 115.15 117.83 2q4s h HIS 20 Ca 0.24 0.00 -0.02 0.00 -1.16 0.00 0.00 60.37 59.44 2q4s h HIS 20 Cb 0.25 0.00 0.00 0.00 1.06 0.00 0.00 27.41 28.72 2q4s h HIS 20 CO -0.00 0.10 -0.07 0.93 0.86 0.00 0.00 177.93 179.76 2q4s h GLU 21 N 0.00 0.05 -0.34 2.45 5.08 -0.58 -2.83 114.58 118.41 2q4s h GLU 21 Ca -0.00 -0.05 0.10 0.00 -1.00 0.00 0.00 59.36 58.41 2q4s h GLU 21 Cb 0.19 0.01 -0.01 0.00 0.50 0.00 0.00 28.75 29.44 2q4s h GLU 21 CO 0.01 0.83 0.28 -0.07 -1.00 0.00 0.00 179.01 179.06 2q4s h LEU 22 N -0.71 0.00 -3.05 1.33 3.38 -1.07 0.21 115.31 115.39 2q4s h LEU 22 Ca -0.01 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.96 2q4s h LEU 22 Cb 0.85 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.60 2q4s h LEU 22 CO 0.01 0.00 0.00 0.49 0.09 0.00 0.00 178.44 179.03 2q4s n PHE 23 N -4.14 1.02 0.02 1.13 3.72 -0.84 -4.57 117.46 113.80 2q4s n PHE 23 Ca 0.05 -0.62 0.04 0.00 -0.05 0.00 0.00 57.45 56.87 2q4s n PHE 23 Cb 0.45 -0.17 0.42 0.00 -0.94 0.00 0.00 39.48 39.24 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 3.03 1.67 -3.12 4.37 0.00 -0.32 -3.43 119.26 121.47 2q4s h ALA 24 Ca 0.00 -0.06 0.00 0.00 0.00 0.00 0.00 54.91 54.85 2q4s h ALA 24 Cb 1.18 -0.15 0.00 0.00 0.00 0.00 0.00 17.79 18.82 2q4s h ALA 24 CO 0.14 0.28 0.00 0.41 0.00 0.00 0.00 179.25 180.08 2q4s n GLY 25 N -1.37 1.54 0.92 0.00 0.00 -1.26 -5.03 105.19 99.99 2q4s n GLY 25 Ca 0.02 -1.99 0.11 0.00 0.00 0.00 0.00 46.02 44.16 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 -0.40 2.96 -4.66 1.61 8.00 -1.26 -4.94 116.55 117.85 2q4s n ASP 26 Ca 0.00 -1.91 -0.30 0.00 0.71 0.00 0.00 54.79 53.29 2q4s n ASP 26 Cb 0.00 -0.08 -0.08 0.00 -0.02 0.00 0.00 41.12 40.94 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 -1.64 2.48 -0.29 -1.24 0.41 -1.26 -5.10 118.70 112.05 2q4s s GLU 27 Ca 0.28 -0.86 -0.01 0.00 -0.41 0.00 0.00 54.97 53.98 2q4s s GLU 27 Cb 0.19 -2.50 0.05 0.00 -1.78 0.00 0.00 34.13 30.09 2q4s s GLU 27 CO 0.27 0.54 -0.02 0.08 -0.49 0.00 0.00 175.26 175.64 2q4s s VAL 28 N -1.27 2.84 -0.76 2.63 1.01 -1.26 -4.78 120.40 118.81 2q4s s VAL 28 Ca 0.24 -1.42 -0.22 0.00 0.00 0.00 0.00 61.98 60.58 2q4s s VAL 28 Cb -0.12 -2.64 0.08 0.00 0.00 0.00 0.00 36.38 33.71 2q4s s VAL 28 CO 0.17 -0.09 1.08 0.21 0.00 0.00 0.00 175.10 176.46 2q4s s ASN 29 N 1.23 6.31 0.57 3.32 3.84 -1.26 -4.87 114.94 124.08 2q4s s ASN 29 Ca -0.06 -1.22 0.33 0.00 0.21 0.00 0.00 52.86 52.12 2q4s s ASN 29 Cb -0.20 -2.44 1.73 0.00 -0.55 0.00 0.00 41.25 39.80 2q4s s ASN 29 CO -0.02 -1.40 2.16 0.58 -2.79 0.00 0.00 177.10 175.63 2q4s h VAL 30 N 6.02 0.33 -0.06 -5.21 2.07 -2.00 -2.71 116.25 114.70 2q4s h VAL 30 Ca -0.14 -0.33 -0.09 0.00 0.82 0.00 0.00 66.70 66.96 2q4s h VAL 30 Cb 1.05 1.24 0.00 0.00 -1.52 0.00 0.00 31.29 32.07 2q4s h VAL 30 CO 1.20 0.05 -0.33 -0.33 0.02 0.00 0.00 177.57 178.18 2q4s h GLU 31 N 0.00 0.32 -0.09 1.57 4.39 -2.00 -2.86 114.58 115.91 2q4s h GLU 31 Ca -0.00 -0.27 -0.11 0.00 0.34 0.00 0.00 59.36 59.32 2q4s h GLU 31 Cb 0.24 0.06 -0.01 0.00 -0.10 0.00 0.00 28.75 28.93 2q4s h GLU 31 CO 0.01 0.92 -0.42 0.93 -1.16 0.00 0.00 179.01 179.29 2q4s h GLU 32 N -0.19 0.19 -0.28 2.33 5.08 -1.94 -2.61 114.58 117.16 2q4s h GLU 32 Ca -0.03 -0.09 -0.04 0.00 -1.00 0.00 0.00 59.36 58.20 2q4s h GLU 32 Cb 0.99 -0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.23 2q4s h GLU 32 CO 0.07 0.59 0.00 0.28 -1.00 0.00 0.00 179.01 178.95 2q4s h VAL 33 N 0.16 1.26 -0.48 3.13 2.07 -1.53 -2.05 116.25 118.80 2q4s h VAL 33 Ca 0.01 -0.92 -0.08 0.00 0.82 0.00 0.00 66.70 66.54 2q4s h VAL 33 Cb 0.82 1.30 -0.02 0.00 -1.52 0.00 0.00 31.29 31.87 2q4s h VAL 33 CO 0.06 0.29 -0.02 -0.61 0.02 0.00 0.00 177.57 177.32 2q4s h GLN 34 N 0.29 0.80 -0.24 1.57 4.15 -1.42 -1.17 115.11 119.08 2q4s h GLN 34 Ca 0.08 -0.22 -0.05 0.00 0.77 0.00 0.00 58.65 59.23 2q4s h GLN 34 Cb 0.42 -0.09 -0.01 0.00 0.21 0.00 0.00 27.48 28.02 2q4s h GLN 34 CO 0.01 0.82 -0.04 0.00 -1.93 0.00 0.00 178.83 177.70 2q4s h ALA 35 N 1.23 0.33 -0.26 3.38 0.00 -1.45 0.00 119.26 122.50 2q4s h ALA 35 Ca 0.14 -0.25 -0.05 0.00 0.00 0.00 0.00 54.91 54.75 2q4s h ALA 35 Cb 0.48 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.17 2q4s h ALA 35 CO 0.02 0.10 -0.06 0.28 0.00 0.00 0.00 179.25 179.59 2q4s h VAL 36 N 0.20 1.19 0.05 0.00 2.07 -1.25 0.38 116.25 118.90 2q4s h VAL 36 Ca 0.06 -0.79 -0.19 0.00 0.82 0.00 0.00 66.70 66.60 2q4s h VAL 36 Cb 0.48 1.06 0.02 0.00 -1.52 0.00 0.00 31.29 31.33 2q4s h VAL 36 CO 0.02 0.26 -0.78 -0.07 0.02 0.00 0.00 177.57 177.02 2q4s h LEU 37 N 0.39 0.59 -0.69 2.57 3.38 -1.11 -3.21 115.31 117.23 2q4s h LEU 37 Ca 0.08 -0.82 -0.05 0.00 0.09 0.00 0.00 57.88 57.18 2q4s h LEU 37 Cb 0.36 -0.19 -0.03 0.00 0.09 0.00 0.00 40.66 40.89 2q4s h LEU 37 CO 0.02 1.34 0.22 -0.33 0.09 0.00 0.00 178.44 179.78 2q4s h GLU 38 N -0.08 1.07 -0.28 1.13 5.08 -0.65 -2.93 114.58 117.92 2q4s h GLU 38 Ca -0.11 -0.23 0.04 0.00 -1.00 0.00 0.00 59.36 58.06 2q4s h GLU 38 Cb 1.51 -0.16 -0.01 0.00 0.50 0.00 0.00 28.75 30.59 2q4s h GLU 38 CO 0.15 0.92 0.19 0.00 -1.00 0.00 0.00 179.01 179.28 2q4s h ALA 39 N 1.10 2.01 -2.28 3.43 0.00 -0.30 -3.42 119.26 119.79 2q4s h ALA 39 Ca 0.22 -0.01 -0.55 0.00 0.00 0.00 0.00 54.91 54.57 2q4s h ALA 39 Cb 0.30 -0.05 -0.01 0.00 0.00 0.00 0.00 17.79 18.03 2q4s h ALA 39 CO -0.01 -0.06 0.98 -0.47 0.00 0.00 0.00 179.25 179.70 2q4s s TYR 40 N -5.22 2.39 -0.61 0.00 5.04 -1.11 -4.88 117.35 112.96 2q4s s TYR 40 Ca -0.06 0.51 -0.22 0.00 -2.44 0.00 0.00 57.07 54.86 2q4s s TYR 40 Cb 0.18 -3.78 0.07 0.00 0.35 0.00 0.00 41.96 38.78 2q4s s TYR 40 CO 0.71 -3.11 0.88 -1.21 -1.34 0.00 0.00 175.55 171.48 2q4s s GLU 41 N 3.43 3.15 0.23 4.97 2.02 -1.26 -4.81 118.70 126.43 2q4s s GLU 41 Ca 0.68 -0.78 -0.29 0.00 0.02 0.00 0.00 54.97 54.59 2q4s s GLU 41 Cb -0.31 -4.18 -0.16 0.00 0.10 0.00 0.00 34.13 29.59 2q4s s GLU 41 CO 0.26 -1.63 0.85 -1.13 0.02 0.00 0.00 175.26 173.64 2q4s n SER 42 N 7.26 0.33 -3.76 -0.19 3.41 -1.26 -4.94 113.62 114.47 2q4s n SER 42 Ca -0.04 1.16 -0.30 0.00 -0.26 0.00 0.00 58.87 59.43 2q4s n SER 42 Cb 0.45 -1.14 -0.14 0.00 -0.26 0.00 0.00 64.21 63.12 2q4s n SER 42 CO 0.00 0.00 0.00 0.21 -0.16 0.00 0.00 175.04 175.09 2q4s s ASN 43 N -0.62 3.98 0.37 4.04 2.47 -1.26 -5.00 114.94 118.91 2q4s s ASN 43 Ca 0.64 -2.07 0.22 0.00 0.42 0.00 0.00 52.86 52.06 2q4s s ASN 43 Cb -0.83 -1.02 1.34 0.00 -1.45 0.00 0.00 41.25 39.29 2q4s s ASN 43 CO 0.57 -0.36 1.55 -2.65 -3.72 0.00 0.00 177.10 172.50 2q4s n PRO 44 N 4.28 -0.06 0.00 0.43 -0.02 -1.26 0.12 135.00 138.50 2q4s n PRO 44 Ca 0.03 1.35 0.00 0.00 -2.02 0.00 0.00 63.50 62.85 2q4s n PRO 44 Cb 0.39 -2.44 0.00 0.00 -0.02 0.00 0.00 33.50 31.43 2q4s n PRO 44 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 2q4s n ALA 45 N -2.29 0.91 0.14 3.55 0.00 -1.26 -2.01 120.51 119.55 2q4s n ALA 45 Ca 0.38 0.00 0.08 0.00 0.00 0.00 0.00 53.44 53.90 2q4s n ALA 45 Cb 1.29 -0.89 -0.12 0.00 0.00 0.00 0.00 19.45 19.73 2q4s n ALA 45 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 2q4s n GLU 46 N -1.42 0.75 -0.00 0.00 1.02 0.12 -4.61 120.64 116.50 2q4s n GLU 46 Ca 0.00 -0.12 0.00 0.00 -0.02 0.00 0.00 57.16 57.02 2q4s n GLU 46 Cb 0.05 -1.36 0.00 0.00 -0.02 0.00 0.00 31.44 30.12 2q4s n GLU 46 CO 0.00 0.00 0.00 -2.67 1.18 0.00 0.00 177.13 175.64 2q4s n TRP 47 N -1.93 0.00 0.21 -0.32 4.27 -0.85 -4.73 117.44 114.09 2q4s n TRP 47 Ca -0.02 -0.47 0.17 0.00 -3.89 0.00 0.00 57.50 53.29 2q4s n TRP 47 Cb 0.39 -0.05 0.83 0.00 -1.36 0.00 0.00 31.31 31.12 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 0.00 1.80 0.00 -1.67 0.00 -1.73 -1.02 119.26 116.63 2q4s h ALA 48 Ca 0.00 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.90 2q4s h ALA 48 Cb 0.55 0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.35 2q4s h ALA 48 CO 0.00 -0.29 0.00 1.25 0.00 0.00 0.00 179.25 180.21 2q4s h LEU 49 N 0.00 0.00 0.00 0.00 5.85 -1.89 -2.85 115.31 116.42 2q4s h LEU 49 Ca 0.09 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.81 2q4s h LEU 49 Cb 0.49 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.52 2q4s h LEU 49 CO -0.00 0.00 -1.04 -1.22 -0.34 0.00 0.00 178.44 175.84 2q4s n TYR 50 N -2.93 0.00 -2.01 1.25 4.01 -0.40 -3.99 117.16 113.09 2q4s n TYR 50 Ca -0.01 0.00 -0.42 0.00 -0.16 0.00 0.00 57.90 57.31 2q4s n TYR 50 Cb 0.15 -0.14 -0.00 0.00 -0.31 0.00 0.00 39.34 39.05 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 -1.59 5.78 -2.77 -0.72 0.00 -1.08 -4.73 120.51 115.40 2q4s n ALA 51 Ca -0.00 -4.08 -0.38 0.00 0.00 0.00 0.00 53.44 48.98 2q4s n ALA 51 Cb 0.24 -3.18 -0.12 0.00 0.00 0.00 0.00 19.45 16.39 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 1.31 3.78 0.52 0.00 1.02 -1.26 -5.01 119.74 120.10 2q4s s LYS 52 Ca 0.46 -0.42 0.01 0.00 0.02 0.00 0.00 55.97 56.03 2q4s s LYS 52 Cb 0.13 -3.55 0.02 0.00 -0.52 0.00 0.00 37.83 33.91 2q4s s LYS 52 CO -0.04 -0.22 0.75 -0.06 -0.92 0.00 0.00 175.35 174.86 2q4s s PHE 53 N 1.70 2.98 -0.03 3.18 0.08 -1.26 -4.78 117.98 119.85 2q4s s PHE 53 Ca 0.07 0.09 0.04 0.00 0.12 0.00 0.00 56.93 57.24 2q4s s PHE 53 Cb -0.16 -2.62 -0.01 0.00 -0.57 0.00 0.00 43.02 39.66 2q4s s PHE 53 CO 0.08 -0.72 -0.16 0.34 -0.10 0.00 0.00 175.22 174.66 2q4s s ASP 54 N -4.36 1.94 0.00 1.36 2.15 -1.26 -5.02 116.67 111.48 2q4s s ASP 54 Ca 0.54 -0.31 0.21 0.00 0.43 0.00 0.00 52.55 53.43 2q4s s ASP 54 Cb -0.10 -0.43 1.25 0.00 -0.30 0.00 0.00 42.92 43.34 2q4s s ASP 54 CO 0.38 0.16 1.68 0.00 -0.17 0.00 0.00 175.17 177.22 2q4s n GLN 55 N 3.02 0.79 0.00 4.34 1.13 -1.26 -3.75 117.38 121.64 2q4s n GLN 55 Ca -0.17 0.00 0.00 0.00 -1.94 0.00 0.00 57.00 54.89 2q4s n GLN 55 Cb 0.54 -1.42 0.00 0.00 0.11 0.00 0.00 30.24 29.47 2q4s n GLN 55 CO 0.00 0.00 0.00 0.66 -1.44 0.00 0.00 177.06 176.28 2q4s n TYR 56 N -0.92 0.00 -3.57 1.08 4.01 -1.26 -5.06 117.16 111.44 2q4s n TYR 56 Ca 0.16 0.00 -0.07 0.00 -0.16 0.00 0.00 57.90 57.83 2q4s n TYR 56 Cb 0.07 0.00 -0.02 0.00 -0.31 0.00 0.00 39.34 39.08 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 -1.01 0.92 0.55 -0.72 1.70 -1.25 -5.06 118.95 114.09 2q4s s ARG 57 Ca 0.00 -0.40 -0.19 0.00 -0.47 0.00 0.00 55.73 54.67 2q4s s ARG 57 Cb 0.00 0.39 -0.05 0.00 -0.57 0.00 0.00 34.95 34.71 2q4s s ARG 57 CO 0.00 -0.41 1.13 1.52 -1.08 0.00 0.00 175.30 176.46 2q4s s TYR 58 N -3.17 2.67 -0.01 5.89 -0.85 -1.26 -4.17 117.35 116.45 2q4s s TYR 58 Ca 0.07 1.54 0.08 0.00 -0.52 0.00 0.00 57.07 58.24 2q4s s TYR 58 Cb -0.01 -3.28 -0.02 0.00 0.38 0.00 0.00 41.96 39.03 2q4s s TYR 58 CO -0.06 -1.57 -0.25 0.95 -1.52 0.00 0.00 175.55 173.10 2q4s s THR 59 N -1.82 2.01 -0.14 -3.49 -4.23 -0.47 -4.95 115.64 102.55 2q4s s THR 59 Ca 0.72 -1.11 -0.04 0.00 -1.18 0.00 0.00 61.69 60.08 2q4s s THR 59 Cb -0.23 -1.67 -0.03 0.00 1.34 0.00 0.00 72.50 71.90 2q4s s THR 59 CO 0.28 0.54 -0.01 -0.13 -0.54 0.00 0.00 174.62 174.76 2q4s s ARG 60 N -0.66 3.48 -0.51 3.99 0.52 -1.26 -0.89 118.95 123.62 2q4s s ARG 60 Ca 0.10 -0.46 0.03 0.00 -0.52 0.00 0.00 55.73 54.89 2q4s s ARG 60 Cb -0.10 -2.91 0.16 0.00 0.52 0.00 0.00 34.95 32.61 2q4s s ARG 60 CO -0.01 0.40 0.34 -0.80 0.02 0.00 0.00 175.30 175.26 2q4s s ASN 61 N -0.05 3.33 0.05 0.23 0.01 0.80 -0.86 114.94 118.45 2q4s s ASN 61 Ca 0.03 -3.12 -0.37 0.00 -0.71 0.00 0.00 52.86 48.70 2q4s s ASN 61 Cb -0.13 -1.03 -0.19 0.00 0.41 0.00 0.00 41.25 40.31 2q4s s ASN 61 CO 0.02 -0.18 0.92 -0.11 -1.51 0.00 0.00 177.10 176.23 2q4s n LEU 62 N 2.87 -0.33 -0.01 0.60 7.94 -1.19 -2.66 117.00 124.23 2q4s n LEU 62 Ca 0.18 1.14 -0.01 0.00 -1.11 0.00 0.00 56.01 56.21 2q4s n LEU 62 Cb 0.39 -0.92 -0.01 0.00 0.53 0.00 0.00 43.42 43.41 2q4s n LEU 62 CO 0.20 -2.17 -0.56 0.52 -1.11 0.00 0.00 177.39 174.27 2q4s n VAL 63 N 1.10 0.11 -3.83 1.96 0.31 0.19 -2.47 118.33 115.70 2q4s n VAL 63 Ca 0.19 -0.05 -0.12 0.00 -0.01 0.00 0.00 64.34 64.35 2q4s n VAL 63 Cb 0.12 -0.67 -0.13 0.00 -0.91 0.00 0.00 33.84 32.25 2q4s n VAL 63 CO 0.00 0.00 0.00 -1.81 -1.32 0.00 0.00 176.83 173.70 2q4s s ASP 64 N -3.92 -0.10 -0.26 4.52 1.11 -0.39 -4.74 116.67 112.89 2q4s s ASP 64 Ca -0.02 0.21 0.12 0.00 0.18 0.00 0.00 52.55 53.03 2q4s s ASP 64 Cb 0.01 0.20 0.59 0.00 1.07 0.00 0.00 42.92 44.79 2q4s s ASP 64 CO 0.05 -0.04 1.56 0.00 1.18 0.00 0.00 175.17 177.92 2q4s n GLN 65 N 3.09 2.79 -3.09 8.23 6.02 -1.26 -0.07 117.38 133.10 2q4s n GLN 65 Ca -0.13 -3.02 -0.15 0.00 -0.01 0.00 0.00 57.00 53.69 2q4s n GLN 65 Cb 0.59 -1.95 -0.04 0.00 1.02 0.00 0.00 30.24 29.86 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 -0.63 -0.10 4.09 1.08 0.00 -0.59 0.38 105.19 109.43 2q4s n GLY 66 Ca 0.32 0.06 -0.36 0.00 0.00 0.00 0.00 46.02 46.04 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 -0.87 -1.59 0.00 1.61 4.13 -1.26 0.25 115.26 117.53 2q4s n ASN 67 Ca -0.07 -1.01 0.00 0.00 1.68 0.00 0.00 54.58 55.19 2q4s n ASN 67 Cb 0.26 -1.39 0.00 0.00 -1.54 0.00 0.00 39.78 37.10 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 -0.96 2.09 0.13 7.41 0.00 1.20 -4.89 105.19 110.17 2q4s n GLY 68 Ca 0.10 0.00 0.01 0.00 0.00 0.00 0.00 46.02 46.13 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 2.60 0.00 -2.67 1.61 1.79 -0.35 -3.39 116.57 116.16 2q4s h LYS 69 Ca 0.00 0.00 0.01 0.00 -2.18 0.00 0.00 60.65 58.48 2q4s h LYS 69 Cb 0.00 0.00 -0.14 0.00 -1.58 0.00 0.00 32.23 30.51 2q4s h LYS 69 CO 0.00 0.58 0.28 -0.59 -1.08 0.00 0.00 179.45 178.64 2q4s s PHE 70 N -2.94 -0.50 -0.02 -1.35 -0.12 -1.25 -4.17 117.98 107.62 2q4s s PHE 70 Ca 0.03 0.41 0.07 0.00 -0.05 0.00 0.00 56.93 57.39 2q4s s PHE 70 Cb 0.08 0.53 -0.02 0.00 -0.63 0.00 0.00 43.02 42.98 2q4s s PHE 70 CO 0.75 -0.74 -0.23 -0.80 -0.05 0.00 0.00 175.22 174.16 2q4s s ASN 71 N -2.45 3.36 0.10 1.98 0.02 -0.85 -1.53 114.94 115.56 2q4s s ASN 71 Ca 0.00 -0.41 0.10 0.00 -1.02 0.00 0.00 52.86 51.54 2q4s s ASN 71 Cb -0.01 -0.48 -0.04 0.00 0.02 0.00 0.00 41.25 40.74 2q4s s ASN 71 CO -0.09 0.32 -0.25 -0.22 0.02 0.00 0.00 177.10 176.88 2q4s s LEU 72 N -0.74 2.28 -0.07 0.60 2.96 0.90 -1.95 118.68 122.66 2q4s s LEU 72 Ca 0.11 -0.69 -0.03 0.00 -0.22 0.00 0.00 54.13 53.30 2q4s s LEU 72 Cb -0.10 -1.11 0.04 0.00 0.50 0.00 0.00 46.19 45.52 2q4s s LEU 72 CO -0.00 0.15 0.15 -0.63 -1.32 0.00 0.00 176.35 174.70 2q4s s ILE 74 N -1.03 -0.09 -0.15 6.68 1.01 -1.09 0.57 121.20 127.11 2q4s s ILE 74 Ca 0.11 0.21 -0.07 0.00 0.00 0.00 0.00 60.65 60.91 2q4s s ILE 74 Cb -0.10 -0.25 -0.04 0.00 0.01 0.00 0.00 42.46 42.08 2q4s s ILE 74 CO 0.05 0.09 0.08 -0.76 0.00 0.00 0.00 174.94 174.40 2q4s s LEU 75 N 1.38 4.00 -0.22 2.97 1.02 0.15 -0.14 118.68 127.85 2q4s s LEU 75 Ca -0.07 0.23 0.02 0.00 0.02 0.00 0.00 54.13 54.33 2q4s s LEU 75 Cb -0.12 -1.99 0.04 0.00 0.02 0.00 0.00 46.19 44.15 2q4s s LEU 75 CO -0.06 0.28 -0.14 0.00 0.02 0.00 0.00 176.35 176.45 2q4s s TRP 77 N 1.23 3.42 1.32 0.00 0.52 0.25 -1.37 118.94 124.30 2q4s s TRP 77 Ca -0.02 -2.23 -0.19 0.00 0.02 0.00 0.00 56.10 53.68 2q4s s TRP 77 Cb -0.17 -2.47 0.33 0.00 -1.15 0.00 0.00 33.47 30.02 2q4s s TRP 77 CO -0.09 -0.88 0.98 0.20 0.02 0.00 0.00 176.95 177.19 2q4s s GLY 78 N 1.31 1.47 0.17 0.98 0.00 -1.26 -0.24 107.32 109.75 2q4s s GLY 78 Ca -0.00 -0.62 -0.32 0.00 0.00 0.00 0.00 44.72 43.78 2q4s s GLY 78 CO -0.03 0.28 1.70 -0.54 0.00 0.00 0.00 173.10 174.51 2q4s s GLU 79 N -4.92 4.16 0.00 2.90 8.01 -1.26 -2.18 118.70 125.40 2q4s s GLU 79 Ca 0.69 2.52 0.00 0.00 0.01 0.00 0.00 54.97 58.19 2q4s s GLU 79 Cb -0.17 -3.25 0.00 0.00 -4.31 0.00 0.00 34.13 26.41 2q4s s GLU 79 CO 0.60 -0.73 0.00 0.41 0.01 0.00 0.00 175.26 175.55 2q4s n GLY 80 N 3.98 0.63 3.74 -1.39 0.00 -0.58 -4.99 105.19 106.58 2q4s n GLY 80 Ca 0.16 0.00 -0.39 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 -2.58 3.63 0.32 1.61 3.76 -0.93 -4.85 115.29 116.25 2q4s s HIS 81 Ca 0.00 1.17 0.03 0.00 -0.15 0.00 0.00 55.06 56.11 2q4s s HIS 81 Cb 0.00 -2.66 -0.04 0.00 1.11 0.00 0.00 32.58 30.99 2q4s s HIS 81 CO 0.00 0.25 0.15 0.20 -0.85 0.00 0.00 174.74 174.48 2q4s s GLY 82 N 0.22 2.11 0.56 -2.22 0.00 -1.26 -0.68 107.32 106.05 2q4s s GLY 82 Ca 0.32 -1.72 0.06 0.00 0.00 0.00 0.00 44.72 43.38 2q4s s GLY 82 CO 0.16 -1.63 0.50 -1.35 0.00 0.00 0.00 173.10 170.78 2q4s s SER 83 N -3.41 4.73 0.92 1.64 1.04 -0.88 -4.76 113.70 112.99 2q4s s SER 83 Ca 0.34 -1.17 -0.10 0.00 0.48 0.00 0.00 55.95 55.51 2q4s s SER 83 Cb 0.05 0.43 0.16 0.00 0.10 0.00 0.00 66.02 66.75 2q4s s SER 83 CO 0.17 -1.18 0.96 -1.20 0.98 0.00 0.00 173.24 172.97 2q4s n SER 84 N -1.89 0.30 -4.38 7.02 7.64 -1.26 -4.75 113.62 116.30 2q4s n SER 84 Ca 0.02 -1.49 -0.45 0.00 1.01 0.00 0.00 58.87 57.97 2q4s n SER 84 Cb 0.64 -0.71 -0.04 0.00 -1.01 0.00 0.00 64.21 63.08 2q4s n SER 84 CO 0.00 0.00 0.00 -0.63 -3.01 0.00 0.00 175.04 171.40 2q4s s ILE 85 N -3.01 4.87 0.46 0.44 1.01 -1.26 -4.59 121.20 119.12 2q4s s ILE 85 Ca 0.56 -1.19 0.06 0.00 0.00 0.00 0.00 60.65 60.08 2q4s s ILE 85 Cb -0.02 -4.53 -0.02 0.00 0.01 0.00 0.00 42.46 37.90 2q4s s ILE 85 CO 0.39 -1.18 0.26 -1.38 0.00 0.00 0.00 174.94 173.03 2q4s s HIS 86 N 2.48 2.24 0.14 3.97 -3.43 -1.21 0.13 115.29 119.61 2q4s s HIS 86 Ca 0.15 -0.69 0.01 0.00 -0.80 0.00 0.00 55.06 53.72 2q4s s HIS 86 Cb -0.20 -1.94 0.01 0.00 -1.43 0.00 0.00 32.58 29.01 2q4s s HIS 86 CO 0.03 -0.06 0.05 -0.40 -2.00 0.00 0.00 174.74 172.36 2q4s n ASP 87 N -1.45 1.93 -0.82 7.38 5.75 -1.08 -3.43 116.55 124.84 2q4s n ASP 87 Ca -0.02 -1.55 0.06 0.00 -0.01 0.00 0.00 54.79 53.26 2q4s n ASP 87 Cb 0.64 0.04 0.16 0.00 -1.03 0.00 0.00 41.12 40.93 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 -0.59 0.00 -4.33 2.11 8.25 -1.26 -4.67 115.22 114.73 2q4s n HIS 88 Ca -0.03 -1.21 -0.33 0.00 -0.26 0.00 0.00 57.72 55.89 2q4s n HIS 88 Cb 0.17 -0.22 -0.09 0.00 1.12 0.00 0.00 29.99 30.97 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 -0.69 -0.99 -1.68 1.59 -1.04 -1.26 0.26 114.28 110.47 2q4s n THR 89 Ca 0.15 -0.40 -0.21 0.00 -2.04 0.00 0.00 64.05 61.56 2q4s n THR 89 Cb 0.81 -1.06 -0.08 0.00 -1.82 0.00 0.00 70.33 68.17 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 -2.82 -5.54 -4.46 8.00 8.00 -1.26 -4.95 116.55 113.52 2q4s n ASP 90 Ca -0.24 0.47 -0.17 0.00 0.71 0.00 0.00 54.79 55.56 2q4s n ASP 90 Cb 0.65 -4.87 0.05 0.00 -0.02 0.00 0.00 41.12 36.93 2q4s n ASP 90 CO 0.00 0.00 0.00 -0.24 -0.39 0.00 0.00 177.20 176.57 2q4s n SER 91 N -1.44 1.85 -4.77 -2.24 2.88 0.14 -4.78 113.62 105.27 2q4s n SER 91 Ca -0.21 -2.33 -0.36 0.00 -1.33 0.00 0.00 58.87 54.64 2q4s n SER 91 Cb 0.69 -0.32 -0.08 0.00 -0.75 0.00 0.00 64.21 63.75 2q4s n SER 91 CO 0.00 0.00 0.00 -1.00 -1.23 0.00 0.00 175.04 172.81 2q4s s HIS 92 N -2.05 3.35 -0.30 0.66 3.76 -0.86 -4.40 115.29 115.45 2q4s s HIS 92 Ca 0.48 0.34 -0.05 0.00 -0.15 0.00 0.00 55.06 55.68 2q4s s HIS 92 Cb -0.04 -1.85 0.03 0.00 1.11 0.00 0.00 32.58 31.83 2q4s s HIS 92 CO 0.31 0.59 0.05 0.00 -0.85 0.00 0.00 174.74 174.83 2q4s s PHE 94 N 1.41 3.53 -0.36 0.00 0.08 -0.31 -2.18 117.98 120.15 2q4s s PHE 94 Ca -0.00 -2.66 -0.11 0.00 0.12 0.00 0.00 56.93 54.29 2q4s s PHE 94 Cb -0.18 -2.49 0.02 0.00 -0.57 0.00 0.00 43.02 39.80 2q4s s PHE 94 CO 0.01 -0.92 0.20 -1.17 -0.10 0.00 0.00 175.22 173.24 2q4s s LEU 95 N 1.01 4.58 -0.13 -0.37 0.20 -1.26 -1.15 118.68 121.57 2q4s s LEU 95 Ca 0.02 -0.88 -0.05 0.00 0.69 0.00 0.00 54.13 53.91 2q4s s LEU 95 Cb -0.20 -2.02 -0.04 0.00 -0.43 0.00 0.00 46.19 43.50 2q4s s LEU 95 CO -0.06 -0.34 0.06 -0.75 -0.29 0.00 0.00 176.35 174.96 2q4s s LYS 96 N 1.57 3.43 -0.31 1.98 2.20 0.34 -0.08 119.74 128.88 2q4s s LYS 96 Ca 0.03 -0.32 -0.21 0.00 -0.36 0.00 0.00 55.97 55.11 2q4s s LYS 96 Cb -0.19 -3.03 -0.00 0.00 -1.51 0.00 0.00 37.83 33.10 2q4s s LYS 96 CO 0.07 0.58 0.68 -1.17 -0.36 0.00 0.00 175.35 175.15 2q4s s LEU 97 N -0.51 4.14 -0.15 5.43 1.98 -0.10 0.14 118.68 129.61 2q4s s LEU 97 Ca 0.10 0.47 0.11 0.00 -2.89 0.00 0.00 54.13 51.92 2q4s s LEU 97 Cb -0.12 -2.89 -0.23 0.00 0.66 0.00 0.00 46.19 43.61 2q4s s LEU 97 CO 0.02 -0.53 0.23 0.18 -1.89 0.00 0.00 176.35 174.36 2q4s n LEU 98 N 6.00 1.05 -3.64 -0.68 4.77 -0.21 0.12 117.00 124.41 2q4s n LEU 98 Ca 0.00 0.13 -0.10 0.00 -0.03 0.00 0.00 56.01 56.01 2q4s n LEU 98 Cb 0.49 -0.02 -0.07 0.00 -2.33 0.00 0.00 43.42 41.49 2q4s n LEU 98 CO 0.48 0.58 0.47 -1.58 -1.33 0.00 0.00 177.39 176.00 2q4s s GLN 99 N -2.53 0.70 1.19 3.23 0.74 -0.41 -4.77 119.66 117.80 2q4s s GLN 99 Ca -0.14 0.99 0.00 0.00 0.05 0.00 0.00 55.36 56.26 2q4s s GLN 99 Cb 0.07 0.25 0.00 0.00 1.10 0.00 0.00 33.01 34.44 2q4s s GLN 99 CO 0.78 -0.11 0.00 0.41 -0.55 0.00 0.00 175.29 175.82 2q4s n GLY 100 N 3.32 -1.63 2.92 2.59 0.00 -1.26 -0.48 105.19 110.65 2q4s n GLY 100 Ca -0.16 -1.60 -0.13 0.00 0.00 0.00 0.00 46.02 44.13 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 0.28 0.06 1.61 0.01 -1.26 -4.06 114.94 107.59 2q4s s ASN 101 Ca 0.00 -0.13 0.08 0.00 -0.71 0.00 0.00 52.86 52.10 2q4s s ASN 101 Cb 0.00 -0.01 -0.03 0.00 0.41 0.00 0.00 41.25 41.62 2q4s s ASN 101 CO 0.00 -0.03 -0.21 -0.76 -1.51 0.00 0.00 177.10 174.59 2q4s s LEU 102 N -0.32 2.21 -0.16 0.60 1.43 -1.20 -4.49 118.68 116.75 2q4s s LEU 102 Ca -0.02 -0.58 -0.09 0.00 -1.03 0.00 0.00 54.13 52.41 2q4s s LEU 102 Cb -0.03 -0.97 -0.05 0.00 0.03 0.00 0.00 46.19 45.18 2q4s s LEU 102 CO -0.00 0.13 0.15 -0.75 0.23 0.00 0.00 176.35 176.11 2q4s s LYS 103 N -1.42 3.88 -0.18 1.70 2.20 -0.22 -1.85 119.74 123.85 2q4s s LYS 103 Ca 0.07 -0.15 -0.00 0.00 -0.36 0.00 0.00 55.97 55.53 2q4s s LYS 103 Cb -0.09 -3.32 0.00 0.00 -1.51 0.00 0.00 37.83 32.91 2q4s s LYS 103 CO 0.03 0.50 -0.14 -2.00 -0.36 0.00 0.00 175.35 173.38 2q4s s GLU 104 N -0.24 3.18 -0.11 4.03 2.12 -0.07 -1.96 118.70 125.65 2q4s s GLU 104 Ca 0.12 -0.75 0.00 0.00 0.36 0.00 0.00 54.97 54.71 2q4s s GLU 104 Cb -0.12 -2.69 -0.02 0.00 0.26 0.00 0.00 34.13 31.56 2q4s s GLU 104 CO 0.01 -0.10 -0.12 0.99 -0.54 0.00 0.00 175.26 175.51 2q4s s THR 105 N 1.10 3.21 -0.04 -1.70 2.01 -0.19 -1.39 115.64 118.65 2q4s s THR 105 Ca 0.00 -0.62 -0.02 0.00 0.31 0.00 0.00 61.69 61.35 2q4s s THR 105 Cb -0.14 -2.33 -0.04 0.00 0.01 0.00 0.00 72.50 70.00 2q4s s THR 105 CO -0.05 0.54 0.10 -0.76 -0.69 0.00 0.00 174.62 173.77 2q4s s LEU 106 N -0.02 4.05 -0.18 4.42 1.43 0.07 0.40 118.68 128.86 2q4s s LEU 106 Ca -0.03 0.25 -0.03 0.00 -1.03 0.00 0.00 54.13 53.29 2q4s s LEU 106 Cb -0.14 -2.25 0.06 0.00 0.03 0.00 0.00 46.19 43.88 2q4s s LEU 106 CO 0.04 0.31 0.04 -0.36 0.23 0.00 0.00 176.35 176.61 2q4s s PHE 107 N -1.16 0.85 1.10 0.29 0.08 0.38 0.11 117.98 119.64 2q4s s PHE 107 Ca 0.21 -0.69 -0.13 0.00 0.12 0.00 0.00 56.93 56.44 2q4s s PHE 107 Cb -0.12 -0.95 0.23 0.00 -0.57 0.00 0.00 43.02 41.61 2q4s s PHE 107 CO 0.12 -0.56 0.91 -0.25 -0.10 0.00 0.00 175.22 175.33 2q4s n ASP 108 N 5.10 -1.32 -4.68 1.36 8.00 -1.26 -2.15 116.55 121.59 2q4s n ASP 108 Ca -0.08 0.01 -0.36 0.00 0.71 0.00 0.00 54.79 55.06 2q4s n ASP 108 Cb 0.48 -1.28 0.08 0.00 -0.02 0.00 0.00 41.12 40.38 2q4s n ASP 108 CO 0.00 0.00 0.00 0.79 -0.39 0.00 0.00 177.20 177.60 2q4s n TRP 109 N -4.69 1.41 -1.99 1.24 7.02 -1.26 -4.74 117.44 114.43 2q4s n TRP 109 Ca 0.05 0.41 -0.39 0.00 -1.02 0.00 0.00 57.50 56.55 2q4s n TRP 109 Cb 0.54 -2.18 0.00 0.00 -2.42 0.00 0.00 31.31 27.25 2q4s n TRP 109 CO 0.00 0.00 0.00 -2.14 -2.02 0.00 0.00 177.69 173.53 2q4s s PRO 110 N -3.42 3.86 0.00 -0.99 0.02 -1.26 -5.02 135.00 128.19 2q4s s PRO 110 Ca 0.79 2.21 0.00 0.00 0.02 0.00 0.00 61.00 64.02 2q4s s PRO 110 Cb -0.36 -2.70 0.00 0.00 0.02 0.00 0.00 34.50 31.45 2q4s s PRO 110 CO 0.45 -0.60 0.00 -0.25 -0.33 0.00 0.00 177.00 176.27 2q4s n ASP 111 N -0.01 0.00 -3.79 2.53 8.00 -1.26 -4.91 116.55 117.11 2q4s n ASP 111 Ca 0.04 -0.32 -0.42 0.00 0.71 0.00 0.00 54.79 54.81 2q4s n ASP 111 Cb 0.43 0.00 0.00 0.00 -0.02 0.00 0.00 41.12 41.54 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 -0.32 3.94 -3.64 -1.24 4.76 -1.26 -4.81 118.16 115.59 2q4s n LYS 112 Ca 0.00 -3.63 -0.04 0.00 -2.87 0.00 0.00 58.31 51.77 2q4s n LYS 112 Cb 0.00 -2.81 -0.07 0.00 -1.84 0.00 0.00 35.03 30.31 2q4s n LYS 112 CO 0.00 0.00 0.00 0.15 -1.37 0.00 0.00 177.40 176.18 2q4s s LYS 113 N -0.33 0.32 -1.02 1.97 -0.14 -1.26 -5.06 119.74 114.21 2q4s s LYS 113 Ca 0.42 0.45 -0.06 0.00 -1.36 0.00 0.00 55.97 55.42 2q4s s LYS 113 Cb 0.11 0.12 0.01 0.00 -1.68 0.00 0.00 37.83 36.39 2q4s s LYS 113 CO -0.01 -0.05 2.77 0.45 -0.76 0.00 0.00 175.35 177.75 2q4s n SER 114 N 2.68 7.49 -4.14 2.83 2.88 -1.26 -4.90 113.62 119.21 2q4s n SER 114 Ca -0.15 -2.94 -0.21 0.00 -1.33 0.00 0.00 58.87 54.24 2q4s n SER 114 Cb 0.57 -1.38 -0.01 0.00 -0.75 0.00 0.00 64.21 62.63 2q4s n SER 114 CO 0.00 0.00 0.00 0.59 -1.23 0.00 0.00 175.04 174.40 2q4s n ASN 115 N 2.05 2.54 0.00 -3.46 3.02 -1.23 -4.61 115.26 113.57 2q4s n ASN 115 Ca 0.61 -2.52 0.00 0.00 -0.03 0.00 0.00 54.58 52.64 2q4s n ASN 115 Cb 0.40 0.05 0.00 0.00 -0.61 0.00 0.00 39.78 39.62 2q4s n ASN 115 CO 0.00 0.00 0.00 1.21 -2.62 0.00 0.00 177.26 175.85 2q4s n GLU 116 N -1.35 2.91 -3.68 3.52 4.07 -1.23 -3.83 120.64 121.04 2q4s n GLU 116 Ca -0.05 0.00 -0.10 0.00 -0.06 0.00 0.00 57.16 56.95 2q4s n GLU 116 Cb 0.48 0.00 -0.10 0.00 -0.06 0.00 0.00 31.44 31.76 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 -0.16 0.29 6.31 -1.09 -1.26 -4.99 121.20 120.30 2q4s s ILE 118 Ca 0.00 0.11 -0.30 0.00 -2.23 0.00 0.00 60.65 58.23 2q4s s ILE 118 Cb 0.00 -0.64 -0.11 0.00 -1.58 0.00 0.00 42.46 40.13 2q4s s ILE 118 CO 0.00 0.04 1.53 -1.59 -1.23 0.00 0.00 174.94 173.69 2q4s s LYS 119 N 1.67 4.17 -0.11 2.79 -2.85 -1.26 -4.55 119.74 119.59 2q4s s LYS 119 Ca -0.08 2.49 -0.25 0.00 -1.00 0.00 0.00 55.97 57.13 2q4s s LYS 119 Cb -0.09 -3.04 -0.22 0.00 -2.06 0.00 0.00 37.83 32.42 2q4s s LYS 119 CO -0.13 -0.54 0.75 -0.22 0.10 0.00 0.00 175.35 175.31 2q4s h LYS 120 N 4.61 -0.02 -2.71 1.78 3.64 -0.71 -3.49 116.57 119.68 2q4s h LYS 120 Ca -0.47 0.00 0.09 0.00 -1.27 0.00 0.00 60.65 59.00 2q4s h LYS 120 Cb 1.22 0.00 -0.04 0.00 -0.41 0.00 0.00 32.23 33.01 2q4s h LYS 120 CO 0.76 0.76 0.40 -1.54 -2.27 0.00 0.00 179.45 177.57 2q4s s SER 121 N -6.01 -0.08 0.08 4.20 1.04 -1.22 -5.01 113.70 106.69 2q4s s SER 121 Ca -0.16 -0.75 -0.08 0.00 0.48 0.00 0.00 55.95 55.45 2q4s s SER 121 Cb -0.02 0.65 -0.01 0.00 0.10 0.00 0.00 66.02 66.74 2q4s s SER 121 CO 0.59 -1.25 0.16 -1.83 0.98 0.00 0.00 173.24 171.89 2q4s s GLU 122 N -2.78 0.80 0.21 4.02 -1.05 -1.26 -0.75 118.70 117.90 2q4s s GLU 122 Ca 0.16 -0.98 -0.21 0.00 -0.15 0.00 0.00 54.97 53.79 2q4s s GLU 122 Cb -0.04 0.32 0.04 0.00 -0.44 0.00 0.00 34.13 34.02 2q4s s GLU 122 CO 0.07 -0.24 0.63 -0.98 0.95 0.00 0.00 175.26 175.69 2q4s s ARG 123 N -3.80 1.50 -0.22 -4.83 1.70 -0.48 -5.00 118.95 107.82 2q4s s ARG 123 Ca 0.05 -0.76 -0.08 0.00 -0.47 0.00 0.00 55.73 54.47 2q4s s ARG 123 Cb 0.05 0.58 -0.04 0.00 -0.57 0.00 0.00 34.95 34.98 2q4s s ARG 123 CO -0.11 -0.67 0.08 0.99 -1.08 0.00 0.00 175.30 174.51 2q4s s THR 124 N -3.84 4.65 -0.21 4.99 2.01 -1.26 -0.90 115.64 121.08 2q4s s THR 124 Ca 0.07 -0.07 -0.15 0.00 0.31 0.00 0.00 61.69 61.85 2q4s s THR 124 Cb -0.03 -3.14 -0.04 0.00 0.01 0.00 0.00 72.50 69.30 2q4s s THR 124 CO -0.03 0.39 0.34 -0.76 -0.69 0.00 0.00 174.62 173.88 2q4s s LEU 125 N 1.00 4.14 0.30 4.42 1.43 -0.77 -5.00 118.68 124.19 2q4s s LEU 125 Ca 0.04 0.41 0.06 0.00 -1.03 0.00 0.00 54.13 53.62 2q4s s LEU 125 Cb -0.14 -2.42 -0.02 0.00 0.03 0.00 0.00 46.19 43.64 2q4s s LEU 125 CO 0.03 -0.05 0.37 -0.13 0.23 0.00 0.00 176.35 176.80 2q4s s ARG 126 N 1.30 3.10 0.11 1.70 0.52 -1.26 -3.25 118.95 121.17 2q4s s ARG 126 Ca 0.16 -1.01 -0.35 0.00 -0.52 0.00 0.00 55.73 54.01 2q4s s ARG 126 Cb -0.14 -2.74 -0.17 0.00 0.52 0.00 0.00 34.95 32.42 2q4s s ARG 126 CO 0.07 0.21 1.04 -1.91 0.02 0.00 0.00 175.30 174.73 2q4s n GLU 127 N -1.47 0.60 0.00 3.54 2.13 -1.26 -1.65 120.64 122.54 2q4s n GLU 127 Ca -0.04 0.22 0.00 0.00 0.66 0.00 0.00 57.16 58.00 2q4s n GLU 127 Cb 0.58 -1.64 0.00 0.00 0.27 0.00 0.00 31.44 30.65 2q4s n GLU 127 CO 0.00 0.00 0.00 0.09 -0.41 0.00 0.00 177.13 176.81 2q4s n ASN 128 N 1.91 0.00 -4.73 4.31 3.02 0.32 -4.95 115.26 115.14 2q4s n ASN 128 Ca 0.17 0.00 -0.30 0.00 -0.03 0.00 0.00 54.58 54.42 2q4s n ASN 128 Cb 0.19 -0.10 0.12 0.00 -0.61 0.00 0.00 39.78 39.38 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 0.00 1.57 -0.09 3.52 2.00 -0.66 -4.02 119.66 121.98 2q4s s GLN 129 Ca 0.00 0.99 0.00 0.00 -2.00 0.00 0.00 55.36 54.36 2q4s s GLN 129 Cb 0.00 -1.83 0.02 0.00 0.80 0.00 0.00 33.01 32.00 2q4s s GLN 129 CO 0.00 -2.07 -0.09 0.00 -0.50 0.00 0.00 175.29 172.63 2q4s n ALA 131 N 4.53 0.00 0.00 0.00 0.00 0.89 -4.91 120.51 121.02 2q4s n ALA 131 Ca -0.16 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.28 2q4s n ALA 131 Cb 0.51 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.96 2q4s n ALA 131 CO 0.00 0.00 0.00 0.98 0.00 0.00 0.00 177.50 178.48 2q4s n TYR 132 N 0.00 0.00 -2.69 0.00 4.19 -1.22 -4.06 117.16 113.38 2q4s n TYR 132 Ca 0.00 0.00 -0.05 0.00 3.31 0.00 0.00 57.90 61.16 2q4s n TYR 132 Cb 0.00 0.00 0.10 0.00 0.49 0.00 0.00 39.34 39.93 2q4s n TYR 132 CO 0.00 0.00 0.00 1.51 0.91 0.00 0.00 176.86 179.28 2q4s n ILE 133 N -0.88 0.00 -0.56 2.97 3.06 -0.93 -4.96 119.36 118.06 2q4s n ILE 133 Ca 0.00 -0.93 -0.28 0.00 -2.50 0.00 0.00 62.75 59.04 2q4s n ILE 133 Cb 0.00 1.21 0.26 0.00 0.54 0.00 0.00 39.64 41.65 2q4s n ILE 133 CO 0.00 0.00 0.00 0.54 -2.50 0.00 0.00 176.55 174.59 2q4s s ASN 134 N -0.57 0.81 0.50 9.51 2.20 -1.26 -4.46 114.94 121.66 2q4s s ASN 134 Ca 0.22 1.43 0.31 0.00 -0.94 0.00 0.00 52.86 53.87 2q4s s ASN 134 Cb 0.28 -2.22 1.41 0.00 -2.00 0.00 0.00 41.25 38.73 2q4s s ASN 134 CO -0.15 -4.30 1.82 0.44 -2.94 0.00 0.00 177.10 171.97 2q4s h ASP 135 N -2.69 0.12 -0.12 3.54 3.32 -1.77 0.21 116.42 119.03 2q4s h ASP 135 Ca -0.62 0.02 -0.04 0.00 0.02 0.00 0.00 57.03 56.41 2q4s h ASP 135 Cb 1.34 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 40.88 2q4s h ASP 135 CO 0.50 0.02 -0.03 0.28 -1.72 0.00 0.00 179.24 178.30 2q4s h SER 136 N 0.11 0.34 -0.03 6.45 0.02 -1.95 -2.98 113.55 115.51 2q4s h SER 136 Ca 0.54 -0.06 -0.04 0.00 -0.84 0.00 0.00 61.79 61.39 2q4s h SER 136 Cb 1.92 -0.09 0.00 0.00 0.14 0.00 0.00 62.40 64.38 2q4s h SER 136 CO -0.08 0.43 -0.14 0.40 -1.14 0.00 0.00 176.83 176.29 2q4s h ILE 137 N 0.36 1.47 0.00 3.27 2.04 -0.86 -3.50 117.51 120.29 2q4s h ILE 137 Ca 0.08 -1.61 0.00 0.00 1.00 0.00 0.00 64.86 64.33 2q4s h ILE 137 Cb 0.29 2.44 0.00 0.00 -0.74 0.00 0.00 36.82 38.81 2q4s h ILE 137 CO 0.01 0.44 0.00 0.61 0.00 0.00 0.00 178.15 179.21 2q4s n GLY 138 N 0.66 -0.31 3.43 5.37 0.00 -1.11 -4.86 105.19 108.38 2q4s n GLY 138 Ca -0.09 -1.29 -0.33 0.00 0.00 0.00 0.00 46.02 44.32 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 2.68 0.49 0.99 1.43 -0.91 -4.35 118.68 119.00 2q4s s LEU 139 Ca 0.00 -0.25 0.02 0.00 -1.03 0.00 0.00 54.13 52.86 2q4s s LEU 139 Cb 0.00 -1.55 -0.02 0.00 0.03 0.00 0.00 46.19 44.65 2q4s s LEU 139 CO 0.00 0.29 0.02 -1.38 0.23 0.00 0.00 176.35 175.51 2q4s s HIS 140 N -0.41 1.86 0.06 0.29 -3.43 -1.22 -0.47 115.29 111.97 2q4s s HIS 140 Ca 0.05 -1.00 0.06 0.00 -0.80 0.00 0.00 55.06 53.36 2q4s s HIS 140 Cb -0.12 -1.54 -0.03 0.00 -1.43 0.00 0.00 32.58 29.46 2q4s s HIS 140 CO 0.02 0.15 -0.17 0.50 -2.00 0.00 0.00 174.74 173.24 2q4s s ARG 141 N -3.85 1.09 -0.07 -0.38 3.52 0.16 -3.34 118.95 116.08 2q4s s ARG 141 Ca 0.09 -0.91 -0.03 0.00 -0.13 0.00 0.00 55.73 54.75 2q4s s ARG 141 Cb 0.02 -1.18 0.04 0.00 -1.56 0.00 0.00 34.95 32.27 2q4s s ARG 141 CO 0.05 0.29 0.09 0.08 -0.81 0.00 0.00 175.30 175.00 2q4s s VAL 142 N -0.94 -0.15 0.03 7.11 1.01 -1.26 -1.02 120.40 125.19 2q4s s VAL 142 Ca 0.04 0.31 0.02 0.00 0.00 0.00 0.00 61.98 62.34 2q4s s VAL 142 Cb -0.09 -0.26 -0.02 0.00 0.00 0.00 0.00 36.38 36.01 2q4s s VAL 142 CO 0.02 0.09 -0.06 -1.83 0.00 0.00 0.00 175.10 173.32 2q4s s GLU 143 N 2.20 0.46 -0.47 2.72 -1.05 -0.83 -2.07 118.70 119.66 2q4s s GLU 143 Ca 0.04 -0.66 -0.24 0.00 -0.15 0.00 0.00 54.97 53.96 2q4s s GLU 143 Cb -0.13 -0.21 0.03 0.00 -0.44 0.00 0.00 34.13 33.39 2q4s s GLU 143 CO -0.05 0.03 0.85 1.21 0.95 0.00 0.00 175.26 178.26 2q4s s ASN 144 N -1.40 6.43 0.00 0.83 2.47 0.15 -1.06 114.94 122.36 2q4s s ASN 144 Ca -0.10 -0.06 0.25 0.00 0.42 0.00 0.00 52.86 53.37 2q4s s ASN 144 Cb -0.09 -2.41 0.59 0.00 -1.45 0.00 0.00 41.25 37.88 2q4s s ASN 144 CO 0.00 -1.00 1.46 1.33 -3.72 0.00 0.00 177.10 175.17 2q4s n VAL 145 N 6.25 0.00 -1.91 -5.21 0.24 -1.26 -1.53 118.33 114.91 2q4s n VAL 145 Ca 0.04 -0.04 -0.40 0.00 -2.04 0.00 0.00 64.34 61.90 2q4s n VAL 145 Cb 0.48 0.29 0.00 0.00 -1.47 0.00 0.00 33.84 33.15 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 -2.84 6.15 0.03 -1.34 0.15 -1.26 -4.68 113.70 109.90 2q4s s SER 146 Ca 0.15 2.84 0.23 0.00 0.70 0.00 0.00 55.95 59.87 2q4s s SER 146 Cb 0.18 -2.65 0.05 0.00 -1.71 0.00 0.00 66.02 61.89 2q4s s SER 146 CO 0.64 -0.98 1.04 1.41 1.20 0.00 0.00 173.24 176.56 2q4s n HIS 147 N 0.08 0.14 0.00 3.44 8.25 -1.26 -2.80 115.22 123.07 2q4s n HIS 147 Ca 0.04 0.04 0.00 0.00 -0.26 0.00 0.00 57.72 57.54 2q4s n HIS 147 Cb 0.42 -0.30 0.00 0.00 1.12 0.00 0.00 29.99 31.23 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 -1.78 0.00 -5.06 1.59 -2.24 -1.26 -4.92 114.28 100.61 2q4s n THR 148 Ca 0.03 -0.11 -0.30 0.00 -2.27 0.00 0.00 64.05 61.39 2q4s n THR 148 Cb 0.40 0.57 -0.15 0.00 -2.10 0.00 0.00 70.33 69.05 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 -1.42 1.93 0.81 -0.78 0.41 -1.26 -5.03 118.70 113.36 2q4s s GLU 149 Ca 0.00 -1.04 -0.12 0.00 -0.41 0.00 0.00 54.97 53.40 2q4s s GLU 149 Cb 0.00 -2.01 0.08 0.00 -1.78 0.00 0.00 34.13 30.42 2q4s s GLU 149 CO 0.00 0.53 1.13 -1.25 -0.49 0.00 0.00 175.26 175.18 2q4s s PRO 150 N -1.00 1.99 0.00 0.39 0.04 -1.26 -4.28 135.00 130.88 2q4s s PRO 150 Ca 0.11 0.37 0.08 0.00 0.04 0.00 0.00 61.00 61.59 2q4s s PRO 150 Cb -0.10 -1.93 -0.02 0.00 0.04 0.00 0.00 34.50 32.49 2q4s s PRO 150 CO 0.01 -1.63 -0.24 0.00 0.04 0.00 0.00 177.00 175.18 2q4s s ALA 151 N -3.35 2.00 -0.03 8.56 0.00 0.67 -4.22 121.76 125.38 2q4s s ALA 151 Ca 0.61 -1.07 -0.01 0.00 0.00 0.00 0.00 51.96 51.49 2q4s s ALA 151 Cb -0.13 -0.48 0.03 0.00 0.00 0.00 0.00 23.12 22.55 2q4s s ALA 151 CO 0.52 0.48 0.04 0.08 0.00 0.00 0.00 175.76 176.89 2q4s s VAL 152 N -0.63 -0.07 0.04 0.00 1.01 0.37 -0.59 120.40 120.52 2q4s s VAL 152 Ca 0.09 0.32 0.02 0.00 0.00 0.00 0.00 61.98 62.42 2q4s s VAL 152 Cb -0.09 -0.12 -0.02 0.00 0.00 0.00 0.00 36.38 36.14 2q4s s VAL 152 CO -0.00 0.14 -0.08 -0.94 0.00 0.00 0.00 175.10 174.22 2q4s s SER 153 N 1.63 0.85 -0.18 3.32 1.04 -0.17 -1.05 113.70 119.14 2q4s s SER 153 Ca -0.02 -0.51 -0.10 0.00 0.48 0.00 0.00 55.95 55.80 2q4s s SER 153 Cb -0.13 0.03 -0.05 0.00 0.10 0.00 0.00 66.02 65.97 2q4s s SER 153 CO -0.03 -0.18 0.15 -0.22 0.98 0.00 0.00 173.24 173.94 2q4s s LEU 154 N -1.45 4.24 -0.05 2.42 2.96 0.12 0.32 118.68 127.23 2q4s s LEU 154 Ca -0.09 0.30 0.03 0.00 -0.22 0.00 0.00 54.13 54.15 2q4s s LEU 154 Cb -0.09 -2.12 0.01 0.00 0.50 0.00 0.00 46.19 44.49 2q4s s LEU 154 CO 0.00 0.21 -0.12 -1.00 -1.32 0.00 0.00 176.35 174.12 2q4s s HIS 155 N 0.15 1.38 -0.04 5.38 3.76 -1.26 0.13 115.29 124.79 2q4s s HIS 155 Ca 0.10 -0.45 0.05 0.00 -0.15 0.00 0.00 55.06 54.60 2q4s s HIS 155 Cb -0.11 -0.99 -0.01 0.00 1.11 0.00 0.00 32.58 32.58 2q4s s HIS 155 CO -0.00 -0.22 -0.18 -1.17 -0.85 0.00 0.00 174.74 172.32 2q4s s LEU 156 N 0.45 1.95 -0.03 0.89 0.20 -0.30 -4.12 118.68 117.72 2q4s s LEU 156 Ca -0.10 -0.38 -0.00 0.00 0.69 0.00 0.00 54.13 54.34 2q4s s LEU 156 Cb -0.13 -1.03 0.03 0.00 -0.43 0.00 0.00 46.19 44.62 2q4s s LEU 156 CO 0.03 0.17 0.02 -0.31 -0.29 0.00 0.00 176.35 175.97 2q4s s TYR 157 N -0.03 0.17 -0.05 5.38 2.02 -0.82 -1.16 117.35 122.85 2q4s s TYR 157 Ca -0.03 0.09 0.00 0.00 -0.37 0.00 0.00 57.07 56.76 2q4s s TYR 157 Cb -0.11 -0.36 0.02 0.00 -0.40 0.00 0.00 41.96 41.11 2q4s s TYR 157 CO 0.02 -0.13 -0.03 0.45 -1.57 0.00 0.00 175.55 174.30 2q4s s SER 158 N 1.26 1.14 1.00 2.29 0.15 -1.21 -2.01 113.70 116.33 2q4s s SER 158 Ca -0.07 -0.11 -0.12 0.00 0.70 0.00 0.00 55.95 56.35 2q4s s SER 158 Cb -0.13 -0.43 0.19 0.00 -1.71 0.00 0.00 66.02 63.94 2q4s s SER 158 CO -0.03 -0.11 1.10 -2.84 1.20 0.00 0.00 173.24 172.56 2q4s s PRO 159 N 1.30 0.38 0.69 5.44 0.02 -1.26 -2.03 135.00 139.54 2q4s s PRO 159 Ca -0.05 0.48 -0.15 0.00 0.02 0.00 0.00 61.00 61.29 2q4s s PRO 159 Cb -0.13 -1.74 0.02 0.00 0.02 0.00 0.00 34.50 32.67 2q4s s PRO 159 CO -0.02 -2.75 1.17 -2.14 -0.33 0.00 0.00 177.00 172.93 2q4s s PRO 160 N -4.99 2.48 -0.14 5.54 0.02 -1.23 -4.80 135.00 131.89 2q4s s PRO 160 Ca 0.65 1.63 -0.10 0.00 0.02 0.00 0.00 61.00 63.20 2q4s s PRO 160 Cb -0.18 -1.89 0.04 0.00 0.02 0.00 0.00 34.50 32.49 2q4s s PRO 160 CO 0.57 -1.55 0.35 -0.59 -0.33 0.00 0.00 177.00 175.45 2q4s s PHE 161 N -2.07 -0.43 -0.59 6.54 -0.12 -1.26 -5.03 117.98 115.01 2q4s s PHE 161 Ca 0.72 1.00 0.06 0.00 -0.05 0.00 0.00 56.93 58.66 2q4s s PHE 161 Cb -0.26 0.15 0.16 0.00 -0.63 0.00 0.00 43.02 42.44 2q4s s PHE 161 CO 0.42 -0.23 1.08 -0.40 -0.05 0.00 0.00 175.22 176.04 2q4s n ASP 162 N 3.49 2.39 -4.07 1.98 5.68 -1.26 -4.98 116.55 119.79 2q4s n ASP 162 Ca -0.18 -1.89 -0.15 0.00 -0.50 0.00 0.00 54.79 52.07 2q4s n ASP 162 Cb 0.56 -0.12 -0.12 0.00 -1.14 0.00 0.00 41.12 40.30 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 -0.93 0.69 0.04 2.12 -4.23 -1.26 -4.57 115.64 107.50 2q4s s THR 163 Ca 0.13 -0.94 -0.01 0.00 -1.18 0.00 0.00 61.69 59.69 2q4s s THR 163 Cb 0.07 -0.69 0.00 0.00 1.34 0.00 0.00 72.50 73.22 2q4s s THR 163 CO 0.09 -0.20 0.07 0.00 -0.54 0.00 0.00 174.62 174.05 2q4s s HIS 165 N -7.14 2.38 -0.09 0.00 3.76 -1.26 -0.61 115.29 112.33 2q4s s HIS 165 Ca 0.02 -0.37 -0.00 0.00 -0.15 0.00 0.00 55.06 54.56 2q4s s HIS 165 Cb -0.00 -1.41 -0.03 0.00 1.11 0.00 0.00 32.58 32.25 2q4s s HIS 165 CO 0.02 0.15 -0.07 0.00 -0.85 0.00 0.00 174.74 173.98 2q4s s ALA 166 N -0.83 2.92 -0.06 -1.40 0.00 -1.26 -2.62 121.76 118.51 2q4s s ALA 166 Ca 0.12 -0.88 0.02 0.00 0.00 0.00 0.00 51.96 51.22 2q4s s ALA 166 Cb -0.10 -1.29 -0.03 0.00 0.00 0.00 0.00 23.12 21.71 2q4s s ALA 166 CO 0.03 0.45 -0.09 -0.06 0.00 0.00 0.00 175.76 176.08 2q4s s PHE 167 N -0.39 2.86 -0.34 0.00 0.08 0.34 -2.37 117.98 118.16 2q4s s PHE 167 Ca 0.06 -0.05 -0.29 0.00 0.12 0.00 0.00 56.93 56.77 2q4s s PHE 167 Cb -0.12 -1.69 0.01 0.00 -0.57 0.00 0.00 43.02 40.64 2q4s s PHE 167 CO 0.02 0.27 1.25 0.34 -0.10 0.00 0.00 175.22 177.00 2q4s s ASP 168 N -0.75 6.68 0.59 1.36 2.15 -0.60 -4.21 116.67 121.90 2q4s s ASP 168 Ca 0.11 1.04 0.29 0.00 0.43 0.00 0.00 52.55 54.43 2q4s s ASP 168 Cb -0.11 -2.54 1.75 0.00 -0.30 0.00 0.00 42.92 41.72 2q4s s ASP 168 CO 0.01 -1.10 2.18 -0.61 -0.17 0.00 0.00 175.17 175.48 2q4s h GLN 169 N 9.19 0.00 0.00 4.34 4.15 -1.96 0.17 115.11 131.01 2q4s h GLN 169 Ca -0.25 0.00 0.00 0.00 0.77 0.00 0.00 58.65 59.17 2q4s h GLN 169 Cb 1.09 0.00 0.00 0.00 0.21 0.00 0.00 27.48 28.78 2q4s h GLN 169 CO 1.05 0.00 -0.60 0.00 -1.93 0.00 0.00 178.83 177.35 2q4s h ARG 170 N 0.00 0.00 0.00 1.69 2.47 -1.90 -3.40 114.38 113.23 2q4s h ARG 170 Ca 0.04 0.00 0.00 0.00 -1.26 0.00 0.00 59.98 58.76 2q4s h ARG 170 Cb 0.25 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 28.57 2q4s h ARG 170 CO -0.00 0.00 -0.40 0.25 0.56 0.00 0.00 179.97 180.38 2q4s n THR 171 N -2.62 0.00 0.00 2.04 -2.24 -0.95 -3.50 114.28 107.02 2q4s n THR 171 Ca 0.02 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.80 2q4s n THR 171 Cb 0.51 -0.35 0.00 0.00 -2.10 0.00 0.00 70.33 68.39 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 1.73 1.73 3.52 3.38 0.00 0.57 -3.55 105.19 112.57 2q4s n GLY 172 Ca 0.00 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.66 2q4s n GLY 172 CO 0.00 0.00 0.00 1.57 0.00 0.00 0.00 173.32 174.89 2q4s n HIS 173 N -1.63 -0.24 -4.07 1.61 -0.00 -1.26 -4.52 115.22 105.12 2q4s n HIS 173 Ca 0.00 0.37 -0.13 0.00 -0.00 0.00 0.00 57.72 57.96 2q4s n HIS 173 Cb 0.00 -1.98 -0.11 0.00 -0.00 0.00 0.00 29.99 27.90 2q4s n HIS 173 CO 0.00 0.00 0.00 -1.59 -0.00 0.00 0.00 176.34 174.75 2q4s s LYS 174 N -2.93 0.54 -0.44 1.57 -2.85 -1.26 -1.55 119.74 112.82 2q4s s LYS 174 Ca 0.69 -0.77 0.03 0.00 -1.00 0.00 0.00 55.97 54.91 2q4s s LYS 174 Cb -0.35 -0.31 0.15 0.00 -2.06 0.00 0.00 37.83 35.26 2q4s s LYS 174 CO 0.55 0.05 0.30 0.54 0.10 0.00 0.00 175.35 176.89 2q4s s ASN 175 N -1.59 2.77 -0.64 0.03 4.22 -1.00 -4.96 114.94 113.77 2q4s s ASN 175 Ca -0.10 -2.83 -0.22 0.00 -2.14 0.00 0.00 52.86 47.57 2q4s s ASN 175 Cb -0.10 -0.72 -0.15 0.00 1.28 0.00 0.00 41.25 41.57 2q4s s ASN 175 CO 0.00 -0.22 1.78 1.17 -2.04 0.00 0.00 177.10 177.79 2q4s n LYS 176 N 3.21 0.00 -2.73 3.55 4.81 -1.26 -4.25 118.16 121.50 2q4s n LYS 176 Ca 0.19 0.00 -0.27 0.00 -0.87 0.00 0.00 58.31 57.36 2q4s n LYS 176 Cb 0.40 -1.01 -0.00 0.00 0.02 0.00 0.00 35.03 34.44 2q4s n LYS 176 CO 0.00 0.00 0.00 0.08 1.17 0.00 0.00 177.40 178.65 2q4s s VAL 177 N 5.85 4.93 0.00 3.15 1.01 0.22 -4.89 120.40 130.67 2q4s s VAL 177 Ca 0.90 0.12 0.00 0.00 0.00 0.00 0.00 61.98 63.00 2q4s s VAL 177 Cb -0.86 -3.86 0.00 0.00 0.00 0.00 0.00 36.38 31.66 2q4s s VAL 177 CO 0.34 -0.81 0.00 0.41 0.00 0.00 0.00 175.10 175.04 2q4s n THR 178 N -2.20 0.00 -3.58 3.92 -1.04 -1.26 -2.33 114.28 107.78 2q4s n THR 178 Ca -0.00 0.00 -0.05 0.00 -2.04 0.00 0.00 64.05 61.96 2q4s n THR 178 Cb 0.55 -0.39 -0.02 0.00 -1.82 0.00 0.00 70.33 68.65 2q4s n THR 178 CO 0.00 0.00 0.00 0.28 -0.64 0.00 0.00 175.07 174.71 2q4s s THR 180 N 2.34 0.00 -0.15 12.58 -1.32 -1.26 -4.99 115.64 122.84 2q4s s THR 180 Ca 0.00 0.00 -0.08 0.00 -1.21 0.00 0.00 61.69 60.40 2q4s s THR 180 Cb 0.00 -1.00 -0.04 0.00 -1.51 0.00 0.00 72.50 69.95 2q4s s THR 180 CO 0.00 0.00 0.13 -0.36 -2.21 0.00 0.00 174.62 172.18 2q4s s PHE 181 N -2.39 3.52 0.13 9.09 0.08 -1.26 -4.70 117.98 122.45 2q4s s PHE 181 Ca 0.08 0.45 -0.07 0.00 0.12 0.00 0.00 56.93 57.51 2q4s s PHE 181 Cb -0.01 -2.01 -0.08 0.00 -0.57 0.00 0.00 43.02 40.35 2q4s s PHE 181 CO -0.05 0.57 1.32 1.25 -0.10 0.00 0.00 175.22 178.22 2q4s h HIS 182 N 5.57 0.76 -1.71 0.36 -0.00 -1.24 -3.45 115.15 115.43 2q4s h HIS 182 Ca -0.50 -0.37 0.08 0.00 -0.00 0.00 0.00 60.37 59.58 2q4s h HIS 182 Cb 1.20 -0.10 -0.25 0.00 -0.00 0.00 0.00 27.41 28.26 2q4s h HIS 182 CO 0.69 1.18 0.24 -1.12 -0.00 0.00 0.00 177.93 178.92 2q4s s SER 183 N -7.09 -0.69 -0.18 3.26 0.01 -1.25 -0.27 113.70 107.50 2q4s s SER 183 Ca -0.07 1.09 -0.07 0.00 1.31 0.00 0.00 55.95 58.21 2q4s s SER 183 Cb 0.09 1.29 -0.04 0.00 0.21 0.00 0.00 66.02 67.57 2q4s s SER 183 CO 0.88 -0.17 0.06 -0.54 0.41 0.00 0.00 173.24 173.87 2q4s s LYS 184 N 1.48 3.92 -1.37 12.44 1.02 -1.11 -3.18 119.74 132.95 2q4s s LYS 184 Ca -0.09 -0.34 -0.08 0.00 0.02 0.00 0.00 55.97 55.47 2q4s s LYS 184 Cb -0.04 -3.19 0.03 0.00 -0.52 0.00 0.00 37.83 34.10 2q4s s LYS 184 CO -0.17 0.31 1.07 1.19 -0.92 0.00 0.00 175.35 176.83 2q4s n PHE 185 N 3.43 -2.56 -0.93 3.18 3.72 -1.03 -1.29 117.46 121.98 2q4s n PHE 185 Ca -0.17 0.97 0.00 0.00 -0.05 0.00 0.00 57.45 58.20 2q4s n PHE 185 Cb 0.52 -4.75 0.00 0.00 -0.94 0.00 0.00 39.48 34.31 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 -1.76 0.29 3.31 1.37 0.00 -1.26 -4.97 105.19 102.18 2q4s n GLY 186 Ca -0.06 0.00 -0.46 0.00 0.00 0.00 0.00 46.02 45.50 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 -1.71 5.21 -0.45 -0.61 -1.09 -0.41 -4.93 121.20 117.20 2q4s s ILE 187 Ca 0.00 -1.53 -0.40 0.00 -2.23 0.00 0.00 60.65 56.49 2q4s s ILE 187 Cb 0.00 -4.34 -0.16 0.00 -1.58 0.00 0.00 42.46 36.39 2q4s s ILE 187 CO 0.00 -0.87 2.18 -1.14 -1.23 0.00 0.00 174.94 173.88 2q4s n ARG 188 N 5.21 0.47 -4.09 2.79 3.00 -1.26 -2.74 116.66 120.03 2q4s n ARG 188 Ca -0.13 0.12 -0.35 0.00 -0.00 0.00 0.00 57.85 57.49 2q4s n ARG 188 Cb 0.40 -1.93 -0.13 0.00 0.00 0.00 0.00 32.46 30.81 2q4s n ARG 188 CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 177.63 178.58 2q4s s THR 189 N 6.71 3.87 -1.70 5.15 -4.23 0.63 -4.96 115.64 121.10 2q4s s THR 189 Ca 1.16 -0.34 0.00 0.00 -1.18 0.00 0.00 61.69 61.33 2q4s s THR 189 Cb -1.21 -2.74 0.00 0.00 1.34 0.00 0.00 72.50 69.89 2q4s s THR 189 CO 0.58 0.43 0.42 -2.65 -0.54 0.00 0.00 174.62 172.87