#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 1.68 0.48 -4.62 2.34 -1.26 -5.14 118.68 112.17 2q4s s LEU 6 Ca 0.00 -0.36 0.05 0.00 0.06 0.00 0.00 54.13 53.88 2q4s s LEU 6 Cb 0.00 -0.96 0.02 0.00 -0.56 0.00 0.00 46.19 44.69 2q4s s LEU 6 CO 0.00 0.03 0.66 -0.76 -1.06 0.00 0.00 176.35 175.23 2q4s s LEU 7 N 0.78 3.48 -0.21 1.48 1.43 -1.26 -5.04 118.68 119.34 2q4s s LEU 7 Ca -0.12 -0.26 -0.29 0.00 -1.03 0.00 0.00 54.13 52.43 2q4s s LEU 7 Cb -0.16 -2.73 -0.01 0.00 0.03 0.00 0.00 46.19 43.33 2q4s s LEU 7 CO 0.02 -0.94 1.25 -0.75 0.23 0.00 0.00 176.35 176.16 2q4s s LYS 8 N -4.53 4.14 0.06 1.70 2.20 -1.26 -4.96 119.74 117.09 2q4s s LYS 8 Ca 0.56 1.50 -0.31 0.00 -0.36 0.00 0.00 55.97 57.37 2q4s s LYS 8 Cb -0.10 -3.78 -0.08 0.00 -1.51 0.00 0.00 37.83 32.36 2q4s s LYS 8 CO 0.35 -0.82 1.66 -2.14 -0.36 0.00 0.00 175.35 174.04 2q4s s PRO 9 N 3.66 4.20 0.08 4.03 0.02 -1.26 -4.85 135.00 140.86 2q4s s PRO 9 Ca 0.54 2.32 -0.02 0.00 0.02 0.00 0.00 61.00 63.86 2q4s s PRO 9 Cb -0.19 -3.65 -0.27 0.00 0.02 0.00 0.00 34.50 30.41 2q4s s PRO 9 CO 0.16 -0.75 1.14 0.00 -0.33 0.00 0.00 177.00 177.22 2q4s h ARG 10 N 8.49 0.21 -5.33 5.54 3.08 -1.92 -3.41 114.38 121.05 2q4s h ARG 10 Ca -0.42 -0.36 -0.50 0.00 0.07 0.00 0.00 59.98 58.77 2q4s h ARG 10 Cb 1.20 0.13 -0.14 0.00 0.08 0.00 0.00 29.97 31.25 2q4s h ARG 10 CO 0.93 1.16 -0.62 0.95 -1.07 0.00 0.00 179.97 181.32 2q4s s THR 11 N -2.66 1.37 0.36 2.04 -4.23 -1.26 -4.78 115.64 106.48 2q4s s THR 11 Ca -0.03 -2.02 0.05 0.00 -1.18 0.00 0.00 61.69 58.51 2q4s s THR 11 Cb 0.08 -2.77 0.20 0.00 1.34 0.00 0.00 72.50 71.34 2q4s s THR 11 CO 0.87 -0.05 1.94 0.25 -0.54 0.00 0.00 174.62 177.10 2q4s h LEU 12 N 2.09 0.50 -0.01 4.79 5.85 -1.91 -0.86 115.31 125.75 2q4s h LEU 12 Ca -0.41 -0.06 0.02 0.00 0.84 0.00 0.00 57.88 58.27 2q4s h LEU 12 Cb 1.24 -0.13 -0.03 0.00 0.37 0.00 0.00 40.66 42.11 2q4s h LEU 12 CO 0.71 0.49 -0.14 0.00 -0.34 0.00 0.00 178.44 179.15 2q4s h ALA 13 N 1.59 -0.16 -0.42 1.25 0.00 -1.95 -0.75 119.26 118.82 2q4s h ALA 13 Ca 0.13 0.01 0.08 0.00 0.00 0.00 0.00 54.91 55.13 2q4s h ALA 13 Cb 0.17 0.25 -0.08 0.00 0.00 0.00 0.00 17.79 18.14 2q4s h ALA 13 CO -0.01 -0.63 -0.05 -0.44 0.00 0.00 0.00 179.25 178.12 2q4s h ASP 14 N -0.23 -0.29 -0.16 0.00 5.19 -1.69 -0.90 116.42 118.34 2q4s h ASP 14 Ca 0.05 0.11 0.04 0.00 -0.62 0.00 0.00 57.03 56.61 2q4s h ASP 14 Cb 0.30 0.22 -0.04 0.00 0.18 0.00 0.00 39.33 39.99 2q4s h ASP 14 CO -0.15 -0.10 -0.09 0.25 -3.12 0.00 0.00 179.24 176.03 2q4s h LEU 15 N 0.05 -0.30 -0.56 1.55 5.85 -0.71 0.63 115.31 121.82 2q4s h LEU 15 Ca 0.21 0.07 -0.00 0.00 0.84 0.00 0.00 57.88 59.00 2q4s h LEU 15 Cb 0.31 0.16 -0.03 0.00 0.37 0.00 0.00 40.66 41.48 2q4s h LEU 15 CO -0.39 -0.12 0.34 0.40 -0.34 0.00 0.00 178.44 178.32 2q4s h ILE 16 N -0.09 1.16 -0.61 4.05 2.04 -0.27 0.39 117.51 124.18 2q4s h ILE 16 Ca 0.09 -0.35 0.00 0.00 1.00 0.00 0.00 64.86 65.61 2q4s h ILE 16 Cb 0.22 0.39 -0.03 0.00 -0.74 0.00 0.00 36.82 36.67 2q4s h ILE 16 CO -0.21 0.16 0.40 -0.09 0.00 0.00 0.00 178.15 178.41 2q4s h ARG 17 N 0.75 0.81 -0.61 2.37 1.12 -0.99 0.91 114.38 118.75 2q4s h ARG 17 Ca 0.20 -0.05 -0.09 0.00 -1.11 0.00 0.00 59.98 58.93 2q4s h ARG 17 Cb -0.03 -0.18 -0.02 0.00 -0.01 0.00 0.00 29.97 29.73 2q4s h ARG 17 CO -0.04 0.54 0.04 0.82 -3.11 0.00 0.00 179.97 178.22 2q4s h ILE 18 N 0.83 1.26 -0.84 1.20 2.04 -0.28 -2.07 117.51 119.66 2q4s h ILE 18 Ca 0.22 -1.10 -0.03 0.00 1.00 0.00 0.00 64.86 64.96 2q4s h ILE 18 Cb -0.09 0.78 -0.04 0.00 -0.74 0.00 0.00 36.82 36.73 2q4s h ILE 18 CO -0.05 0.40 0.43 -0.07 0.00 0.00 0.00 178.15 178.86 2q4s h LEU 19 N 0.95 1.08 -2.09 1.44 3.38 0.30 -0.07 115.31 120.30 2q4s h LEU 19 Ca 0.18 -0.12 0.04 0.00 0.09 0.00 0.00 57.88 58.07 2q4s h LEU 19 Cb 0.51 -0.28 -0.01 0.00 0.09 0.00 0.00 40.66 40.98 2q4s h LEU 19 CO 0.02 0.89 0.12 0.45 0.09 0.00 0.00 178.44 180.01 2q4s h HIS 20 N 1.19 0.00 -0.11 1.13 3.86 -0.14 -1.83 115.15 119.25 2q4s h HIS 20 Ca 0.29 0.00 -0.07 0.00 -1.16 0.00 0.00 60.37 59.43 2q4s h HIS 20 Cb 0.08 0.00 0.00 0.00 1.06 0.00 0.00 27.41 28.55 2q4s h HIS 20 CO 0.01 0.00 -0.22 0.93 0.86 0.00 0.00 177.93 179.52 2q4s h GLU 21 N 0.00 0.34 -0.96 2.45 5.08 -0.61 -3.07 114.58 117.80 2q4s h GLU 21 Ca 0.07 -0.22 0.06 0.00 -1.00 0.00 0.00 59.36 58.27 2q4s h GLU 21 Cb 0.30 0.03 -0.06 0.00 0.50 0.00 0.00 28.75 29.52 2q4s h GLU 21 CO -0.00 0.81 0.62 -0.07 -1.00 0.00 0.00 179.01 179.37 2q4s h LEU 22 N -0.09 0.99 -0.97 1.33 3.38 -0.87 -1.53 115.31 117.54 2q4s h LEU 22 Ca 0.00 0.01 0.00 0.00 0.09 0.00 0.00 57.88 57.98 2q4s h LEU 22 Cb 0.80 -0.20 0.00 0.00 0.09 0.00 0.00 40.66 41.35 2q4s h LEU 22 CO 0.05 0.64 0.00 0.49 0.09 0.00 0.00 178.44 179.71 2q4s n PHE 23 N -4.53 0.36 0.22 1.13 3.72 -0.81 -4.22 117.46 113.32 2q4s n PHE 23 Ca 0.14 -0.17 0.08 0.00 -0.05 0.00 0.00 57.45 57.45 2q4s n PHE 23 Cb 0.17 -0.02 0.62 0.00 -0.94 0.00 0.00 39.48 39.30 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 3.37 1.98 -4.03 4.37 0.00 -1.17 -3.44 119.26 120.35 2q4s h ALA 24 Ca 0.00 -0.00 -0.08 0.00 0.00 0.00 0.00 54.91 54.83 2q4s h ALA 24 Cb 0.38 -0.02 0.01 0.00 0.00 0.00 0.00 17.79 18.17 2q4s h ALA 24 CO 0.02 0.01 0.01 0.41 0.00 0.00 0.00 179.25 179.70 2q4s n GLY 25 N -1.54 0.96 0.07 0.00 0.00 -1.26 -5.05 105.19 98.38 2q4s n GLY 25 Ca -0.02 -2.00 -0.06 0.00 0.00 0.00 0.00 46.02 43.95 2q4s n GLY 25 CO 0.00 0.00 0.00 -1.80 0.00 0.00 0.00 173.32 171.52 2q4s h ASP 26 N -0.08 0.00 -0.86 1.61 1.82 -1.94 -3.46 116.42 113.51 2q4s h ASP 26 Ca -0.05 0.00 0.00 0.00 -0.39 0.00 0.00 57.03 56.59 2q4s h ASP 26 Cb 0.20 0.00 0.00 0.00 0.68 0.00 0.00 39.33 40.21 2q4s h ASP 26 CO 0.06 0.92 0.00 -0.62 -1.61 0.00 0.00 179.24 177.99 2q4s n GLU 27 N -3.29 3.76 -3.59 0.28 -0.58 -1.26 -5.14 120.64 110.82 2q4s n GLU 27 Ca -0.01 0.00 -0.13 0.00 -0.42 0.00 0.00 57.16 56.60 2q4s n GLU 27 Cb 0.92 0.00 -0.05 0.00 -0.57 0.00 0.00 31.44 31.74 2q4s n GLU 27 CO 0.00 0.00 0.00 0.14 -0.48 0.00 0.00 177.13 176.79 2q4s s VAL 28 N 1.76 0.04 -0.33 2.62 -7.23 -1.26 -4.85 120.40 111.15 2q4s s VAL 28 Ca 0.00 -0.33 -0.09 0.00 -1.81 0.00 0.00 61.98 59.76 2q4s s VAL 28 Cb 0.00 -1.02 0.01 0.00 0.56 0.00 0.00 36.38 35.94 2q4s s VAL 28 CO 0.00 -0.18 0.14 0.21 -0.31 0.00 0.00 175.10 174.96 2q4s s ASN 29 N -2.24 5.44 0.12 4.85 3.84 -1.26 -5.00 114.94 120.69 2q4s s ASN 29 Ca -0.03 -0.78 -0.15 0.00 0.21 0.00 0.00 52.86 52.11 2q4s s ASN 29 Cb -0.00 -1.96 -0.03 0.00 -0.55 0.00 0.00 41.25 38.72 2q4s s ASN 29 CO -0.05 -0.26 1.57 0.58 -2.79 0.00 0.00 177.10 176.15 2q4s h VAL 30 N 5.84 1.26 -0.44 -5.21 2.07 -2.00 -2.71 116.25 115.07 2q4s h VAL 30 Ca -0.29 -0.98 -0.09 0.00 0.82 0.00 0.00 66.70 66.15 2q4s h VAL 30 Cb 1.12 1.13 -0.02 0.00 -1.52 0.00 0.00 31.29 32.01 2q4s h VAL 30 CO 0.62 0.33 -0.11 -0.33 0.02 0.00 0.00 177.57 178.11 2q4s h GLU 31 N 0.51 0.79 -0.42 1.57 4.39 -2.00 -1.13 114.58 118.28 2q4s h GLU 31 Ca 0.11 -0.26 -0.11 0.00 0.34 0.00 0.00 59.36 59.44 2q4s h GLU 31 Cb 0.46 -0.07 -0.02 0.00 -0.10 0.00 0.00 28.75 29.03 2q4s h GLU 31 CO 0.02 0.86 -0.19 0.93 -1.16 0.00 0.00 179.01 179.48 2q4s h GLU 32 N 0.71 0.81 -0.15 2.33 5.08 -1.99 -2.15 114.58 119.22 2q4s h GLU 32 Ca 0.12 -0.31 -0.02 0.00 -1.00 0.00 0.00 59.36 58.15 2q4s h GLU 32 Cb 0.59 -0.05 -0.01 0.00 0.50 0.00 0.00 28.75 29.79 2q4s h GLU 32 CO 0.04 0.93 0.03 0.28 -1.00 0.00 0.00 179.01 179.30 2q4s h VAL 33 N 0.72 1.21 0.21 3.13 2.07 -1.13 -1.96 116.25 120.49 2q4s h VAL 33 Ca 0.11 -0.65 0.00 0.00 0.82 0.00 0.00 66.70 66.98 2q4s h VAL 33 Cb 0.70 1.35 -0.02 0.00 -1.52 0.00 0.00 31.29 31.80 2q4s h VAL 33 CO 0.05 0.20 -0.23 -0.61 0.02 0.00 0.00 177.57 177.00 2q4s h GLN 34 N 0.04 -0.46 -0.51 1.57 4.15 -1.15 0.11 115.11 118.86 2q4s h GLN 34 Ca 0.05 0.03 0.10 0.00 0.77 0.00 0.00 58.65 59.60 2q4s h GLN 34 Cb 0.27 0.10 -0.10 0.00 0.21 0.00 0.00 27.48 27.96 2q4s h GLN 34 CO 0.00 -0.31 -0.20 0.00 -1.93 0.00 0.00 178.83 176.40 2q4s h ALA 35 N 0.23 0.20 0.64 3.38 0.00 -1.37 1.25 119.26 123.59 2q4s h ALA 35 Ca 0.00 0.18 -0.03 0.00 0.00 0.00 0.00 54.91 55.07 2q4s h ALA 35 Cb 0.45 0.52 0.01 0.00 0.00 0.00 0.00 17.79 18.77 2q4s h ALA 35 CO -0.06 -0.52 -0.31 0.28 0.00 0.00 0.00 179.25 178.64 2q4s h VAL 36 N -0.08 0.00 -0.78 0.00 2.07 -1.21 1.38 116.25 117.63 2q4s h VAL 36 Ca 0.24 -0.10 0.18 0.00 0.82 0.00 0.00 66.70 67.84 2q4s h VAL 36 Cb 0.46 0.00 -0.14 0.00 -1.52 0.00 0.00 31.29 30.09 2q4s h VAL 36 CO -0.57 0.00 0.01 -0.07 0.02 0.00 0.00 177.57 176.96 2q4s h LEU 37 N -0.95 -0.35 -1.13 2.57 3.38 -0.47 0.58 115.31 118.94 2q4s h LEU 37 Ca -0.09 0.20 -0.06 0.00 0.09 0.00 0.00 57.88 58.03 2q4s h LEU 37 Cb 0.65 0.35 -0.02 0.00 0.09 0.00 0.00 40.66 41.74 2q4s h LEU 37 CO 0.14 -0.19 0.00 -0.08 0.09 0.00 0.00 178.44 178.41 2q4s h GLU 38 N 0.10 0.61 0.00 1.13 4.81 0.21 -2.79 114.58 118.65 2q4s h GLU 38 Ca 0.43 -0.14 0.00 0.00 -0.13 0.00 0.00 59.36 59.52 2q4s h GLU 38 Cb 0.77 -0.08 0.00 0.00 0.63 0.00 0.00 28.75 30.07 2q4s h GLU 38 CO -0.69 0.63 0.00 0.00 -0.73 0.00 0.00 179.01 178.22 2q4s h ALA 39 N 1.43 1.00 -2.27 2.92 0.00 0.74 -3.43 119.26 119.65 2q4s h ALA 39 Ca 0.12 0.00 -0.56 0.00 0.00 0.00 0.00 54.91 54.48 2q4s h ALA 39 Cb 0.36 0.00 -0.03 0.00 0.00 0.00 0.00 17.79 18.13 2q4s h ALA 39 CO 0.01 0.00 0.77 -0.47 0.00 0.00 0.00 179.25 179.56 2q4s s TYR 40 N -3.44 3.07 -0.43 0.00 5.04 -0.78 -4.61 117.35 116.20 2q4s s TYR 40 Ca 0.03 1.13 -0.23 0.00 -2.44 0.00 0.00 57.07 55.56 2q4s s TYR 40 Cb 0.09 -3.46 0.02 0.00 0.35 0.00 0.00 41.96 38.96 2q4s s TYR 40 CO 0.45 -1.49 0.77 -1.21 -1.34 0.00 0.00 175.55 172.73 2q4s s GLU 41 N 2.60 3.46 -0.16 4.97 2.02 -1.26 -4.94 118.70 125.39 2q4s s GLU 41 Ca 0.56 -0.05 -0.39 0.00 0.02 0.00 0.00 54.97 55.11 2q4s s GLU 41 Cb -0.24 -3.92 -0.16 0.00 0.10 0.00 0.00 34.13 29.91 2q4s s GLU 41 CO 0.20 -1.06 1.62 0.45 0.02 0.00 0.00 175.26 176.49 2q4s n SER 42 N 6.63 2.16 -3.90 -0.19 2.88 -1.26 -4.95 113.62 115.00 2q4s n SER 42 Ca 0.02 1.09 -0.30 0.00 -1.33 0.00 0.00 58.87 58.35 2q4s n SER 42 Cb 0.48 -1.16 -0.15 0.00 -0.75 0.00 0.00 64.21 62.63 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 2.59 4.21 0.54 -3.46 2.47 -1.26 -5.02 114.94 115.00 2q4s s ASN 43 Ca 0.94 -1.65 0.33 0.00 0.42 0.00 0.00 52.86 52.90 2q4s s ASN 43 Cb -1.03 -1.22 1.50 0.00 -1.45 0.00 0.00 41.25 39.05 2q4s s ASN 43 CO 0.60 -0.34 1.86 -0.65 -3.72 0.00 0.00 177.10 174.84 2q4s h PRO 44 N 7.89 0.00 -0.10 0.43 0.11 -1.92 -1.14 132.00 137.27 2q4s h PRO 44 Ca -0.12 0.00 -0.02 0.00 0.11 0.00 0.00 66.00 65.98 2q4s h PRO 44 Cb 1.04 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.14 2q4s h PRO 44 CO 0.47 0.00 -0.01 0.00 -0.21 0.00 0.00 178.00 178.25 2q4s h ALA 45 N 1.49 1.80 0.00 -0.75 0.00 -2.01 0.14 119.26 119.92 2q4s h ALA 45 Ca 0.46 -0.08 -0.05 0.00 0.00 0.00 0.00 54.91 55.25 2q4s h ALA 45 Cb 1.89 -0.05 -0.01 0.00 0.00 0.00 0.00 17.79 19.62 2q4s h ALA 45 CO -0.00 0.16 -0.22 0.93 0.00 0.00 0.00 179.25 180.12 2q4s h GLU 46 N 0.14 0.00 0.00 0.00 5.08 -1.65 -3.35 114.58 114.81 2q4s h GLU 46 Ca 0.03 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.39 2q4s h GLU 46 Cb 0.12 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.37 2q4s h GLU 46 CO 0.00 0.22 0.00 -2.67 -1.00 0.00 0.00 179.01 175.56 2q4s n TRP 47 N -3.20 0.00 -0.30 4.33 4.27 -0.98 -4.76 117.44 116.79 2q4s n TRP 47 Ca 0.02 -0.02 0.19 0.00 -3.89 0.00 0.00 57.50 53.80 2q4s n TRP 47 Cb 0.56 -0.00 0.46 0.00 -1.36 0.00 0.00 31.31 30.96 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 2.07 -0.87 -1.67 0.00 -1.11 -0.69 119.26 116.99 2q4s h ALA 48 Ca 0.00 0.05 0.14 0.00 0.00 0.00 0.00 54.91 55.10 2q4s h ALA 48 Cb 0.10 -0.03 -0.09 0.00 0.00 0.00 0.00 17.79 17.77 2q4s h ALA 48 CO 0.00 -0.42 0.47 1.25 0.00 0.00 0.00 179.25 180.56 2q4s h LEU 49 N 0.50 0.61 0.00 0.00 5.85 -1.86 -2.58 115.31 117.83 2q4s h LEU 49 Ca 0.54 0.08 0.00 0.00 0.84 0.00 0.00 57.88 59.34 2q4s h LEU 49 Cb 1.20 -0.02 0.00 0.00 0.37 0.00 0.00 40.66 42.21 2q4s h LEU 49 CO -0.27 0.27 -0.48 -1.22 -0.34 0.00 0.00 178.44 176.41 2q4s n TYR 50 N -4.82 0.62 -2.35 1.25 4.01 -0.28 -4.63 117.16 110.95 2q4s n TYR 50 Ca 0.17 0.18 -0.43 0.00 -0.16 0.00 0.00 57.90 57.67 2q4s n TYR 50 Cb 0.42 -0.71 0.00 0.00 -0.31 0.00 0.00 39.34 38.74 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 -1.80 5.09 -2.55 -0.72 0.00 -0.97 -4.75 120.51 114.80 2q4s n ALA 51 Ca 0.04 -4.23 -0.41 0.00 0.00 0.00 0.00 53.44 48.85 2q4s n ALA 51 Cb 0.43 -3.10 -0.09 0.00 0.00 0.00 0.00 19.45 16.70 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 1.11 3.60 0.25 0.00 1.02 -1.26 -5.02 119.74 119.45 2q4s s LYS 52 Ca 0.42 -0.36 -0.03 0.00 0.02 0.00 0.00 55.97 56.02 2q4s s LYS 52 Cb 0.08 -3.79 -0.05 0.00 -0.52 0.00 0.00 37.83 33.55 2q4s s LYS 52 CO -0.01 -0.52 0.48 -0.06 -0.92 0.00 0.00 175.35 174.33 2q4s s PHE 53 N 2.06 3.48 0.08 3.18 0.08 -1.26 -4.76 117.98 120.83 2q4s s PHE 53 Ca 0.13 0.51 0.09 0.00 0.12 0.00 0.00 56.93 57.77 2q4s s PHE 53 Cb -0.16 -1.99 -0.03 0.00 -0.57 0.00 0.00 43.02 40.26 2q4s s PHE 53 CO 0.12 0.26 -0.22 0.34 -0.10 0.00 0.00 175.22 175.61 2q4s s ASP 54 N -3.18 3.54 0.24 1.36 2.15 -1.26 -5.06 116.67 114.47 2q4s s ASP 54 Ca 0.42 -0.58 -0.05 0.00 0.43 0.00 0.00 52.55 52.77 2q4s s ASP 54 Cb -0.11 -0.42 0.27 0.00 -0.30 0.00 0.00 42.92 42.36 2q4s s ASP 54 CO 0.30 0.22 1.79 -0.61 -0.17 0.00 0.00 175.17 176.70 2q4s h GLN 55 N 4.26 1.02 0.00 4.34 4.15 -2.00 -3.35 115.11 123.52 2q4s h GLN 55 Ca -0.49 -0.20 0.00 0.00 0.77 0.00 0.00 58.65 58.73 2q4s h GLN 55 Cb 1.16 -0.15 0.00 0.00 0.21 0.00 0.00 27.48 28.69 2q4s h GLN 55 CO 0.44 0.87 -0.89 0.66 -1.93 0.00 0.00 178.83 177.98 2q4s n TYR 56 N -4.27 0.00 -3.62 3.99 4.01 -1.26 -4.93 117.16 111.08 2q4s n TYR 56 Ca 0.05 0.00 -0.10 0.00 -0.16 0.00 0.00 57.90 57.69 2q4s n TYR 56 Cb 0.22 -0.00 -0.02 0.00 -0.31 0.00 0.00 39.34 39.22 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 -2.78 1.46 0.54 -0.72 1.70 -1.26 -5.02 118.95 112.87 2q4s s ARG 57 Ca 0.07 -0.71 -0.18 0.00 -0.47 0.00 0.00 55.73 54.44 2q4s s ARG 57 Cb 0.14 0.58 -0.06 0.00 -0.57 0.00 0.00 34.95 35.04 2q4s s ARG 57 CO 0.77 -0.64 1.05 1.52 -1.08 0.00 0.00 175.30 176.92 2q4s s TYR 58 N -3.83 2.96 0.17 5.89 -0.85 -1.26 -4.24 117.35 116.20 2q4s s TYR 58 Ca 0.06 1.54 0.11 0.00 -0.52 0.00 0.00 57.07 58.26 2q4s s TYR 58 Cb -0.03 -3.06 -0.04 0.00 0.38 0.00 0.00 41.96 39.21 2q4s s TYR 58 CO -0.05 -1.02 -0.24 0.95 -1.52 0.00 0.00 175.55 173.67 2q4s s THR 59 N -2.17 2.40 -0.16 -3.49 -4.23 -0.92 -4.96 115.64 102.11 2q4s s THR 59 Ca 0.66 -1.91 -0.01 0.00 -1.18 0.00 0.00 61.69 59.25 2q4s s THR 59 Cb -0.17 -2.12 -0.01 0.00 1.34 0.00 0.00 72.50 71.54 2q4s s THR 59 CO 0.28 -0.05 -0.12 -0.13 -0.54 0.00 0.00 174.62 174.07 2q4s s ARG 60 N -2.48 3.34 -0.32 3.99 0.52 -1.26 -1.65 118.95 121.09 2q4s s ARG 60 Ca 0.19 -0.69 0.01 0.00 -0.52 0.00 0.00 55.73 54.72 2q4s s ARG 60 Cb -0.09 -2.72 0.10 0.00 0.52 0.00 0.00 34.95 32.76 2q4s s ARG 60 CO 0.09 0.06 0.08 -0.80 0.02 0.00 0.00 175.30 174.75 2q4s s ASN 61 N 0.74 4.28 0.22 0.23 0.01 0.42 0.50 114.94 121.33 2q4s s ASN 61 Ca -0.05 -1.80 -0.31 0.00 -0.71 0.00 0.00 52.86 49.99 2q4s s ASN 61 Cb -0.15 -1.13 -0.11 0.00 0.41 0.00 0.00 41.25 40.26 2q4s s ASN 61 CO 0.02 -0.40 1.61 -0.22 -1.51 0.00 0.00 177.10 176.60 2q4s s LEU 62 N 1.37 4.37 -0.16 0.60 2.96 -0.63 -0.81 118.68 126.37 2q4s s LEU 62 Ca 0.10 2.80 -0.09 0.00 -0.22 0.00 0.00 54.13 56.71 2q4s s LEU 62 Cb -0.18 -3.61 -0.07 0.00 0.50 0.00 0.00 46.19 42.83 2q4s s LEU 62 CO -0.19 -0.88 -0.22 0.52 -1.32 0.00 0.00 176.35 174.26 2q4s n VAL 63 N 3.29 1.00 -3.89 1.68 0.31 0.16 -1.54 118.33 119.34 2q4s n VAL 63 Ca 0.12 -0.17 -0.11 0.00 -0.01 0.00 0.00 64.34 64.17 2q4s n VAL 63 Cb 0.37 -1.78 -0.12 0.00 -0.91 0.00 0.00 33.84 31.41 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 -6.45 0.03 -0.20 4.52 3.68 -0.37 -4.66 116.67 113.20 2q4s s ASP 64 Ca -0.23 -0.10 0.15 0.00 2.13 0.00 0.00 52.55 54.51 2q4s s ASP 64 Cb 0.08 0.15 0.68 0.00 -1.45 0.00 0.00 42.92 42.38 2q4s s ASP 64 CO 0.29 -0.17 1.60 0.00 0.13 0.00 0.00 175.17 177.02 2q4s n GLN 65 N 2.33 3.96 -4.36 4.34 6.02 -1.26 0.14 117.38 128.55 2q4s n GLN 65 Ca -0.17 -3.00 -0.34 0.00 -0.01 0.00 0.00 57.00 53.48 2q4s n GLN 65 Cb 0.57 -2.06 -0.09 0.00 1.02 0.00 0.00 30.24 29.69 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 0.13 -0.20 1.40 1.08 0.00 -0.67 0.17 105.19 107.10 2q4s n GLY 66 Ca 0.25 0.15 -0.01 0.00 0.00 0.00 0.00 46.02 46.41 2q4s n GLY 66 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 2q4s n ASN 67 N -2.78 -0.50 0.00 1.61 4.05 -1.26 -0.06 115.26 116.31 2q4s n ASN 67 Ca -0.21 0.13 0.00 0.00 0.45 0.00 0.00 54.58 54.95 2q4s n ASN 67 Cb 0.63 -0.83 0.00 0.00 1.23 0.00 0.00 39.78 40.81 2q4s n ASN 67 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 177.26 174.82 2q4s n GLY 68 N -0.13 0.93 0.13 8.20 0.00 0.45 -4.98 105.19 109.80 2q4s n GLY 68 Ca -0.01 0.00 0.07 0.00 0.00 0.00 0.00 46.02 46.08 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 2.64 0.00 -2.83 1.61 1.79 -0.60 -3.42 116.57 115.75 2q4s h LYS 69 Ca 0.00 0.00 0.04 0.00 -2.18 0.00 0.00 60.65 58.51 2q4s h LYS 69 Cb 0.00 0.00 -0.11 0.00 -1.58 0.00 0.00 32.23 30.54 2q4s h LYS 69 CO 0.00 0.17 0.28 -0.59 -1.08 0.00 0.00 179.45 178.23 2q4s s PHE 70 N -3.14 -0.40 -0.04 -1.35 -0.12 -1.26 -4.06 117.98 107.61 2q4s s PHE 70 Ca 0.01 0.14 0.07 0.00 -0.05 0.00 0.00 56.93 57.09 2q4s s PHE 70 Cb 0.08 0.60 -0.01 0.00 -0.63 0.00 0.00 43.02 43.05 2q4s s PHE 70 CO 0.77 -0.89 -0.24 -0.80 -0.05 0.00 0.00 175.22 174.01 2q4s s ASN 71 N -2.76 2.88 0.19 1.98 0.01 -0.94 -1.67 114.94 114.63 2q4s s ASN 71 Ca 0.05 -0.46 0.09 0.00 -0.71 0.00 0.00 52.86 51.82 2q4s s ASN 71 Cb -0.02 -0.58 -0.04 0.00 0.41 0.00 0.00 41.25 41.01 2q4s s ASN 71 CO -0.07 0.26 -0.08 -0.22 -1.51 0.00 0.00 177.10 175.48 2q4s s LEU 72 N -0.32 3.02 -0.02 0.60 2.96 0.12 -2.28 118.68 122.76 2q4s s LEU 72 Ca 0.02 -0.56 0.00 0.00 -0.22 0.00 0.00 54.13 53.37 2q4s s LEU 72 Cb -0.12 -1.69 0.02 0.00 0.50 0.00 0.00 46.19 44.91 2q4s s LEU 72 CO 0.01 0.09 0.01 -0.63 -1.32 0.00 0.00 176.35 174.52 2q4s s ILE 74 N -1.75 0.05 -0.13 6.68 1.01 0.01 0.36 121.20 127.42 2q4s s ILE 74 Ca 0.26 0.12 -0.03 0.00 0.00 0.00 0.00 60.65 61.00 2q4s s ILE 74 Cb -0.09 -0.15 -0.03 0.00 0.01 0.00 0.00 42.46 42.20 2q4s s ILE 74 CO 0.16 0.10 -0.02 -0.76 0.00 0.00 0.00 174.94 174.42 2q4s s LEU 75 N 0.87 3.37 -0.22 2.97 1.02 -0.71 -0.44 118.68 125.55 2q4s s LEU 75 Ca -0.08 -0.03 -0.03 0.00 0.02 0.00 0.00 54.13 54.01 2q4s s LEU 75 Cb -0.11 -1.80 -0.00 0.00 0.02 0.00 0.00 46.19 44.30 2q4s s LEU 75 CO -0.02 0.25 -0.06 0.00 0.02 0.00 0.00 176.35 176.54 2q4s s TRP 77 N 1.45 3.05 0.84 0.00 0.52 -0.73 -2.16 118.94 121.91 2q4s s TRP 77 Ca 0.05 -1.26 -0.11 0.00 0.02 0.00 0.00 56.10 54.80 2q4s s TRP 77 Cb -0.14 -2.11 0.10 0.00 -1.15 0.00 0.00 33.47 30.17 2q4s s TRP 77 CO -0.04 -0.65 1.09 0.20 0.02 0.00 0.00 176.95 177.57 2q4s s GLY 78 N 1.40 1.63 0.10 0.98 0.00 -1.26 -1.69 107.32 108.48 2q4s s GLY 78 Ca 0.02 -0.06 -0.35 0.00 0.00 0.00 0.00 44.72 44.33 2q4s s GLY 78 CO -0.03 0.39 1.53 1.18 0.00 0.00 0.00 173.10 176.17 2q4s n GLU 79 N -3.68 1.79 -0.41 2.90 4.71 -1.26 -1.31 120.64 123.38 2q4s n GLU 79 Ca 0.07 0.65 0.00 0.00 -0.01 0.00 0.00 57.16 57.87 2q4s n GLU 79 Cb 0.55 -2.38 0.00 0.00 -1.01 0.00 0.00 31.44 28.61 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 3.24 1.72 3.77 0.62 0.00 -0.04 -4.96 105.19 109.53 2q4s n GLY 80 Ca 0.18 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.81 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 -3.00 3.29 0.21 1.61 3.76 -0.43 -4.73 115.29 116.00 2q4s s HIS 81 Ca 0.00 1.58 0.03 0.00 -0.15 0.00 0.00 55.06 56.53 2q4s s HIS 81 Cb 0.00 -3.41 -0.05 0.00 1.11 0.00 0.00 32.58 30.23 2q4s s HIS 81 CO 0.00 -1.10 -0.02 0.20 -0.85 0.00 0.00 174.74 172.97 2q4s s GLY 82 N -0.86 1.45 0.42 -2.22 0.00 -1.26 -1.01 107.32 103.84 2q4s s GLY 82 Ca 0.49 -1.71 0.08 0.00 0.00 0.00 0.00 44.72 43.58 2q4s s GLY 82 CO 0.43 -1.64 0.47 -0.45 0.00 0.00 0.00 173.10 171.91 2q4s s SER 83 N -3.27 5.33 1.02 1.64 0.15 0.92 -4.76 113.70 114.72 2q4s s SER 83 Ca 0.26 -0.60 -0.12 0.00 0.70 0.00 0.00 55.95 56.19 2q4s s SER 83 Cb 0.05 -0.60 0.20 0.00 -1.71 0.00 0.00 66.02 63.96 2q4s s SER 83 CO 0.07 -0.71 1.08 -0.94 1.20 0.00 0.00 173.24 173.94 2q4s s SER 84 N -4.23 2.36 -0.10 5.45 1.04 -1.26 -4.24 113.70 112.71 2q4s s SER 84 Ca 0.51 1.34 -0.26 0.00 0.48 0.00 0.00 55.95 58.02 2q4s s SER 84 Cb -0.06 -2.03 -0.02 0.00 0.10 0.00 0.00 66.02 64.00 2q4s s SER 84 CO 0.30 -3.32 0.86 -0.63 0.98 0.00 0.00 173.24 171.43 2q4s s ILE 85 N -2.83 4.90 0.24 -1.02 1.01 -1.25 -3.74 121.20 118.51 2q4s s ILE 85 Ca 0.66 1.74 -0.13 0.00 0.00 0.00 0.00 60.65 62.92 2q4s s ILE 85 Cb -0.20 -4.18 -0.00 0.00 0.01 0.00 0.00 42.46 38.09 2q4s s ILE 85 CO 0.59 0.10 0.48 -1.38 0.00 0.00 0.00 174.94 174.73 2q4s s HIS 86 N 1.61 0.30 0.00 3.97 -3.43 0.56 -1.60 115.29 116.71 2q4s s HIS 86 Ca 0.42 -0.67 0.00 0.00 -0.80 0.00 0.00 55.06 54.02 2q4s s HIS 86 Cb -0.18 0.22 0.00 0.00 -1.43 0.00 0.00 32.58 31.19 2q4s s HIS 86 CO 0.17 -0.98 0.00 -0.40 -2.00 0.00 0.00 174.74 171.53 2q4s n ASP 87 N -0.37 0.06 -1.84 7.38 5.68 -1.21 -0.98 116.55 125.26 2q4s n ASP 87 Ca -0.03 0.00 -0.00 0.00 -0.50 0.00 0.00 54.79 54.26 2q4s n ASP 87 Cb 0.62 0.00 0.02 0.00 -1.14 0.00 0.00 41.12 40.62 2q4s n ASP 87 CO 0.00 0.00 0.00 1.41 -1.33 0.00 0.00 177.20 177.28 2q4s n HIS 88 N 0.00 0.03 -4.24 2.11 8.25 -1.26 -4.85 115.22 115.26 2q4s n HIS 88 Ca 0.00 -1.03 -0.30 0.00 -0.26 0.00 0.00 57.72 56.13 2q4s n HIS 88 Cb 0.00 0.19 -0.08 0.00 1.12 0.00 0.00 29.99 31.22 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 -0.12 -1.43 -1.58 1.59 -1.04 -1.26 0.63 114.28 111.06 2q4s n THR 89 Ca -0.04 -0.50 -0.19 0.00 -2.04 0.00 0.00 64.05 61.27 2q4s n THR 89 Cb 0.93 -1.35 -0.08 0.00 -1.82 0.00 0.00 70.33 68.01 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 -2.91 -5.09 -5.00 8.00 8.00 -1.26 -4.96 116.55 113.32 2q4s n ASP 90 Ca -0.33 0.47 -0.18 0.00 0.71 0.00 0.00 54.79 55.47 2q4s n ASP 90 Cb 0.70 -4.53 0.01 0.00 -0.02 0.00 0.00 41.12 37.28 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 -2.63 5.70 0.18 -2.24 0.01 0.20 -4.83 113.70 110.10 2q4s s SER 91 Ca 0.00 -0.36 -0.13 0.00 1.31 0.00 0.00 55.95 56.78 2q4s s SER 91 Cb 0.00 -0.77 -0.07 0.00 0.21 0.00 0.00 66.02 65.39 2q4s s SER 91 CO 0.00 -0.72 0.56 -1.00 0.41 0.00 0.00 173.24 172.48 2q4s s HIS 92 N -2.34 3.53 -0.28 2.43 3.76 -0.13 -4.37 115.29 117.89 2q4s s HIS 92 Ca 0.53 1.00 -0.01 0.00 -0.15 0.00 0.00 55.06 56.43 2q4s s HIS 92 Cb -0.10 -2.34 0.13 0.00 1.11 0.00 0.00 32.58 31.39 2q4s s HIS 92 CO 0.33 0.36 0.29 0.00 -0.85 0.00 0.00 174.74 174.87 2q4s s PHE 94 N 2.37 3.67 -0.29 0.00 0.08 0.24 -0.82 117.98 123.23 2q4s s PHE 94 Ca 0.09 0.88 -0.00 0.00 0.12 0.00 0.00 56.93 58.02 2q4s s PHE 94 Cb -0.14 -2.21 0.09 0.00 -0.57 0.00 0.00 43.02 40.19 2q4s s PHE 94 CO -0.30 0.62 0.07 -1.17 -0.10 0.00 0.00 175.22 174.34 2q4s s LEU 95 N -1.30 2.43 -0.25 -0.37 0.20 0.12 -1.30 118.68 118.20 2q4s s LEU 95 Ca 0.25 -1.55 -0.07 0.00 0.69 0.00 0.00 54.13 53.45 2q4s s LEU 95 Cb -0.15 -0.95 -0.02 0.00 -0.43 0.00 0.00 46.19 44.63 2q4s s LEU 95 CO 0.13 -0.38 0.07 -0.75 -0.29 0.00 0.00 176.35 175.13 2q4s s LYS 96 N 1.54 3.57 0.00 1.98 2.36 -0.58 -0.42 119.74 128.19 2q4s s LYS 96 Ca 0.07 -0.53 -0.30 0.00 -2.55 0.00 0.00 55.97 52.66 2q4s s LYS 96 Cb -0.18 -3.32 -0.05 0.00 -1.05 0.00 0.00 37.83 33.23 2q4s s LYS 96 CO -0.19 -0.22 1.32 -0.51 1.55 0.00 0.00 175.35 177.29 2q4s s LEU 97 N 1.60 4.32 0.08 5.43 2.01 -0.13 -1.86 118.68 130.12 2q4s s LEU 97 Ca 0.06 2.04 0.22 0.00 0.01 0.00 0.00 54.13 56.46 2q4s s LEU 97 Cb -0.15 -3.56 -0.12 0.00 0.01 0.00 0.00 46.19 42.36 2q4s s LEU 97 CO 0.03 -0.64 0.82 0.18 1.01 0.00 0.00 176.35 177.75 2q4s n LEU 98 N 5.00 0.48 -3.64 1.79 4.77 -0.19 -0.21 117.00 125.00 2q4s n LEU 98 Ca 0.12 0.13 -0.05 0.00 -0.03 0.00 0.00 56.01 56.18 2q4s n LEU 98 Cb 0.45 -0.04 -0.07 0.00 -2.33 0.00 0.00 43.42 41.43 2q4s n LEU 98 CO 0.57 -0.07 0.76 -1.58 -1.33 0.00 0.00 177.39 175.74 2q4s s GLN 99 N -3.39 0.38 0.83 3.23 0.74 -1.22 -4.72 119.66 115.51 2q4s s GLN 99 Ca -0.03 0.56 0.00 0.00 0.05 0.00 0.00 55.36 55.94 2q4s s GLN 99 Cb 0.12 0.13 0.00 0.00 1.10 0.00 0.00 33.01 34.36 2q4s s GLN 99 CO 0.84 -0.06 0.00 0.41 -0.55 0.00 0.00 175.29 175.93 2q4s n GLY 100 N 2.92 -1.77 3.12 2.59 0.00 -1.26 -1.93 105.19 108.85 2q4s n GLY 100 Ca -0.15 -1.69 -0.11 0.00 0.00 0.00 0.00 46.02 44.07 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 0.02 0.13 1.61 0.01 -1.26 -2.07 114.94 109.39 2q4s s ASN 101 Ca 0.00 -0.20 0.07 0.00 -0.71 0.00 0.00 52.86 52.01 2q4s s ASN 101 Cb 0.00 0.21 -0.04 0.00 0.41 0.00 0.00 41.25 41.83 2q4s s ASN 101 CO 0.00 -0.38 -0.15 -0.76 -1.51 0.00 0.00 177.10 174.30 2q4s s LEU 102 N -1.42 2.41 -0.24 0.60 1.43 -0.79 -4.68 118.68 116.00 2q4s s LEU 102 Ca -0.14 -0.83 -0.12 0.00 -1.03 0.00 0.00 54.13 52.01 2q4s s LEU 102 Cb -0.07 -0.62 -0.05 0.00 0.03 0.00 0.00 46.19 45.48 2q4s s LEU 102 CO 0.02 -0.12 0.21 -0.75 0.23 0.00 0.00 176.35 175.94 2q4s s LYS 103 N -2.73 4.08 -0.19 1.70 2.20 0.05 -1.40 119.74 123.44 2q4s s LYS 103 Ca 0.11 -0.18 -0.03 0.00 -0.36 0.00 0.00 55.97 55.51 2q4s s LYS 103 Cb -0.05 -3.55 -0.01 0.00 -1.51 0.00 0.00 37.83 32.70 2q4s s LYS 103 CO 0.04 0.01 -0.05 -2.00 -0.36 0.00 0.00 175.35 172.98 2q4s s GLU 104 N 1.21 3.46 -0.08 4.03 2.12 0.34 -2.59 118.70 127.19 2q4s s GLU 104 Ca 0.10 -0.60 0.02 0.00 0.36 0.00 0.00 54.97 54.85 2q4s s GLU 104 Cb -0.14 -2.93 -0.02 0.00 0.26 0.00 0.00 34.13 31.30 2q4s s GLU 104 CO 0.06 -0.02 -0.14 0.99 -0.54 0.00 0.00 175.26 175.61 2q4s s THR 105 N 1.01 3.04 -0.06 -1.70 2.01 -1.11 -1.22 115.64 117.61 2q4s s THR 105 Ca 0.00 -0.70 -0.02 0.00 0.31 0.00 0.00 61.69 61.28 2q4s s THR 105 Cb -0.15 -2.22 -0.04 0.00 0.01 0.00 0.00 72.50 70.10 2q4s s THR 105 CO 0.00 0.56 0.06 -0.76 -0.69 0.00 0.00 174.62 173.80 2q4s s LEU 106 N -0.26 3.88 -0.02 4.42 1.43 0.12 -1.82 118.68 126.43 2q4s s LEU 106 Ca 0.02 0.21 0.05 0.00 -1.03 0.00 0.00 54.13 53.37 2q4s s LEU 106 Cb -0.13 -2.06 -0.01 0.00 0.03 0.00 0.00 46.19 44.02 2q4s s LEU 106 CO 0.03 0.34 -0.16 -0.36 0.23 0.00 0.00 176.35 176.43 2q4s s PHE 107 N -1.04 1.44 0.68 0.29 0.08 0.01 -0.02 117.98 119.40 2q4s s PHE 107 Ca 0.18 -0.30 -0.13 0.00 0.12 0.00 0.00 56.93 56.79 2q4s s PHE 107 Cb -0.12 -0.94 0.00 0.00 -0.57 0.00 0.00 43.02 41.40 2q4s s PHE 107 CO 0.07 -0.05 1.08 -0.51 -0.10 0.00 0.00 175.22 175.71 2q4s s ASP 108 N -0.26 5.24 0.30 1.36 1.01 -1.26 -1.55 116.67 121.50 2q4s s ASP 108 Ca 0.04 1.80 -0.30 0.00 0.71 0.00 0.00 52.55 54.80 2q4s s ASP 108 Cb -0.07 -2.52 -0.11 0.00 1.01 0.00 0.00 42.92 41.22 2q4s s ASP 108 CO -0.00 -1.54 1.58 0.26 0.21 0.00 0.00 175.17 175.68 2q4s s TRP 109 N -2.70 2.75 0.35 4.23 0.52 -1.26 -4.79 118.94 118.04 2q4s s TRP 109 Ca 0.62 0.82 -0.20 0.00 0.02 0.00 0.00 56.10 57.35 2q4s s TRP 109 Cb -0.17 -4.06 -0.10 0.00 -1.15 0.00 0.00 33.47 28.00 2q4s s TRP 109 CO 0.47 -3.52 0.86 -1.25 0.02 0.00 0.00 176.95 173.53 2q4s s PRO 110 N -0.61 4.26 0.75 4.98 0.05 -1.26 -5.05 135.00 138.12 2q4s s PRO 110 Ca 0.62 1.02 -0.11 0.00 0.05 0.00 0.00 61.00 62.58 2q4s s PRO 110 Cb -0.47 -2.49 0.04 0.00 0.05 0.00 0.00 34.50 31.63 2q4s s PRO 110 CO 0.49 0.15 1.09 -0.51 0.05 0.00 0.00 177.00 178.27 2q4s s ASP 111 N -1.99 4.71 0.00 6.66 1.01 -1.26 -4.88 116.67 120.93 2q4s s ASP 111 Ca 0.54 1.80 0.09 0.00 0.71 0.00 0.00 52.55 55.70 2q4s s ASP 111 Cb -0.13 -2.52 0.41 0.00 1.01 0.00 0.00 42.92 41.70 2q4s s ASP 111 CO 0.18 -1.89 1.25 0.29 0.21 0.00 0.00 175.17 175.20 2q4s n LYS 112 N -3.36 0.05 -2.81 8.23 4.76 -1.26 -4.52 118.16 119.24 2q4s n LYS 112 Ca 0.09 0.29 -0.42 0.00 -2.87 0.00 0.00 58.31 55.40 2q4s n LYS 112 Cb 0.53 -1.50 -0.03 0.00 -1.84 0.00 0.00 35.03 32.19 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 -2.85 4.33 -0.10 1.97 -0.14 -1.26 -4.97 119.74 116.73 2q4s s LYS 113 Ca 0.06 1.15 -0.30 0.00 -1.36 0.00 0.00 55.97 55.52 2q4s s LYS 113 Cb 0.06 -3.57 -0.08 0.00 -1.68 0.00 0.00 37.83 32.56 2q4s s LYS 113 CO 0.16 -0.35 2.07 0.45 -0.76 0.00 0.00 175.35 176.92 2q4s n SER 114 N 5.24 3.62 -3.60 2.83 2.88 -1.26 -4.91 113.62 118.42 2q4s n SER 114 Ca 0.06 0.62 -0.12 0.00 -1.33 0.00 0.00 58.87 58.10 2q4s n SER 114 Cb 0.49 -1.50 -0.05 0.00 -0.75 0.00 0.00 64.21 62.39 2q4s n SER 114 CO 0.00 0.00 0.00 0.20 -1.23 0.00 0.00 175.04 174.01 2q4s s ASN 115 N 6.06 -0.33 0.00 -3.46 0.01 -0.24 -5.04 114.94 111.95 2q4s s ASN 115 Ca 0.95 -0.12 0.00 0.00 -0.71 0.00 0.00 52.86 52.99 2q4s s ASN 115 Cb -0.45 0.48 0.00 0.00 0.41 0.00 0.00 41.25 41.69 2q4s s ASN 115 CO 0.41 -0.80 0.00 1.21 -1.51 0.00 0.00 177.10 176.41 2q4s n GLU 116 N 0.03 2.90 -3.64 -0.60 4.07 -1.07 -3.29 120.64 119.04 2q4s n GLU 116 Ca -0.17 0.00 -0.09 0.00 -0.06 0.00 0.00 57.16 56.84 2q4s n GLU 116 Cb 0.62 0.00 -0.07 0.00 -0.06 0.00 0.00 31.44 31.93 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 0.39 6.31 -1.09 -1.26 -4.92 121.20 120.63 2q4s s ILE 118 Ca 0.00 0.00 -0.28 0.00 -2.23 0.00 0.00 60.65 58.14 2q4s s ILE 118 Cb 0.00 -1.00 -0.11 0.00 -1.58 0.00 0.00 42.46 39.77 2q4s s ILE 118 CO 0.00 0.00 1.49 2.29 -1.23 0.00 0.00 174.94 177.49 2q4s n LYS 119 N 2.70 2.65 0.06 2.79 2.85 -1.26 -4.50 118.16 123.45 2q4s n LYS 119 Ca -0.14 0.93 0.11 0.00 -1.05 0.00 0.00 58.31 58.16 2q4s n LYS 119 Cb 0.56 -2.68 0.03 0.00 -0.65 0.00 0.00 35.03 32.30 2q4s n LYS 119 CO 0.00 0.00 0.00 0.36 -0.05 0.00 0.00 177.40 177.71 2q4s n LYS 120 N 0.36 0.43 0.00 -1.58 2.85 0.97 -4.98 118.16 116.20 2q4s n LYS 120 Ca 0.02 0.05 0.00 0.00 -1.05 0.00 0.00 58.31 57.32 2q4s n LYS 120 Cb 0.39 -1.69 0.00 0.00 -0.65 0.00 0.00 35.03 33.08 2q4s n LYS 120 CO 0.00 0.00 0.00 -1.13 -0.05 0.00 0.00 177.40 176.22 2q4s n SER 121 N -2.28 0.00 -3.54 -5.58 3.41 -1.18 -4.98 113.62 99.47 2q4s n SER 121 Ca 0.01 0.00 -0.16 0.00 -0.26 0.00 0.00 58.87 58.46 2q4s n SER 121 Cb 0.49 0.00 -0.07 0.00 -0.26 0.00 0.00 64.21 64.37 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 1.68 -0.16 4.33 -1.05 -1.26 0.12 118.70 120.36 2q4s s GLU 122 Ca 0.00 -1.81 -0.35 0.00 -0.15 0.00 0.00 54.97 52.67 2q4s s GLU 122 Cb 0.00 0.36 0.15 0.00 -0.44 0.00 0.00 34.13 34.20 2q4s s GLU 122 CO 0.00 -0.64 1.40 -0.98 0.95 0.00 0.00 175.26 175.99 2q4s s ARG 123 N -3.50 0.07 -0.20 -4.83 1.70 -0.36 -4.99 118.95 106.84 2q4s s ARG 123 Ca 0.36 -0.04 -0.04 0.00 -0.47 0.00 0.00 55.73 55.54 2q4s s ARG 123 Cb 0.02 0.03 -0.02 0.00 -0.57 0.00 0.00 34.95 34.41 2q4s s ARG 123 CO 0.21 -0.03 -0.02 0.99 -1.08 0.00 0.00 175.30 175.36 2q4s s THR 124 N -2.08 3.70 -0.22 4.99 2.01 -1.26 -0.50 115.64 122.27 2q4s s THR 124 Ca 0.14 -0.40 -0.15 0.00 0.31 0.00 0.00 61.69 61.59 2q4s s THR 124 Cb 0.04 -2.67 -0.04 0.00 0.01 0.00 0.00 72.50 69.84 2q4s s THR 124 CO -0.05 0.43 0.34 -0.76 -0.69 0.00 0.00 174.62 173.90 2q4s s LEU 125 N 1.10 4.13 0.42 4.42 1.43 -0.50 -4.96 118.68 124.72 2q4s s LEU 125 Ca 0.02 0.39 0.08 0.00 -1.03 0.00 0.00 54.13 53.59 2q4s s LEU 125 Cb -0.14 -2.41 -0.01 0.00 0.03 0.00 0.00 46.19 43.65 2q4s s LEU 125 CO 0.01 -0.07 0.44 -0.13 0.23 0.00 0.00 176.35 176.84 2q4s s ARG 126 N 1.39 2.62 0.10 1.70 0.52 -1.26 -1.89 118.95 122.13 2q4s s ARG 126 Ca 0.16 -1.45 -0.36 0.00 -0.52 0.00 0.00 55.73 53.57 2q4s s ARG 126 Cb -0.15 -2.50 -0.17 0.00 0.52 0.00 0.00 34.95 32.65 2q4s s ARG 126 CO 0.08 -0.23 1.20 0.39 0.02 0.00 0.00 175.30 176.76 2q4s n GLU 127 N -1.66 0.90 -0.25 3.54 1.02 -0.88 -1.10 120.64 122.21 2q4s n GLU 127 Ca 0.05 0.32 0.00 0.00 -0.02 0.00 0.00 57.16 57.51 2q4s n GLU 127 Cb 0.61 -1.87 0.00 0.00 -0.02 0.00 0.00 31.44 30.16 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 2.15 0.00 -4.77 1.62 3.02 0.71 -4.97 115.26 113.01 2q4s n ASN 128 Ca 0.18 0.00 -0.38 0.00 -0.03 0.00 0.00 54.58 54.35 2q4s n ASN 128 Cb 0.19 -0.59 -0.03 0.00 -0.61 0.00 0.00 39.78 38.74 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 -0.10 4.20 -0.11 3.52 0.74 -0.26 -4.57 119.66 123.08 2q4s s GLN 129 Ca 0.00 1.65 0.03 0.00 0.05 0.00 0.00 55.36 57.09 2q4s s GLN 129 Cb 0.00 -2.68 0.01 0.00 1.10 0.00 0.00 33.01 31.43 2q4s s GLN 129 CO 0.00 -0.14 -0.21 0.00 -0.55 0.00 0.00 175.29 174.39 2q4s s ALA 131 N 0.64 3.71 0.01 0.00 0.00 0.44 -4.91 121.76 121.65 2q4s s ALA 131 Ca -0.12 -1.64 0.01 0.00 0.00 0.00 0.00 51.96 50.21 2q4s s ALA 131 Cb -0.16 -1.11 -0.01 0.00 0.00 0.00 0.00 23.12 21.84 2q4s s ALA 131 CO 0.03 0.07 -0.04 -0.47 0.00 0.00 0.00 175.76 175.34 2q4s s TYR 132 N -2.29 0.35 0.02 0.00 6.14 -1.26 0.10 117.35 120.41 2q4s s TYR 132 Ca 0.39 -0.22 -0.14 0.00 0.64 0.00 0.00 57.07 57.73 2q4s s TYR 132 Cb -0.06 -0.23 0.02 0.00 0.42 0.00 0.00 41.96 42.12 2q4s s TYR 132 CO 0.25 -0.05 0.31 -1.50 0.64 0.00 0.00 175.55 175.21 2q4s s ILE 133 N -0.55 0.07 0.25 3.14 2.07 0.00 -5.00 121.20 121.18 2q4s s ILE 133 Ca -0.04 -0.58 -0.09 0.00 -1.41 0.00 0.00 60.65 58.53 2q4s s ILE 133 Cb -0.04 -0.80 -0.01 0.00 0.13 0.00 0.00 42.46 41.74 2q4s s ILE 133 CO -0.00 -0.32 0.40 0.54 -1.91 0.00 0.00 174.94 173.65 2q4s s ASN 134 N -1.73 0.07 0.18 4.50 2.20 -1.26 -1.54 114.94 117.36 2q4s s ASN 134 Ca -0.09 -1.09 0.14 0.00 -0.94 0.00 0.00 52.86 50.88 2q4s s ASN 134 Cb -0.03 0.55 0.71 0.00 -2.00 0.00 0.00 41.25 40.48 2q4s s ASN 134 CO 0.00 -1.09 1.42 0.47 -2.94 0.00 0.00 177.10 174.97 2q4s n ASP 135 N -0.46 0.34 0.02 3.54 9.92 -1.26 -1.72 116.55 126.93 2q4s n ASP 135 Ca -0.01 0.65 -0.10 0.00 -0.53 0.00 0.00 54.79 54.80 2q4s n ASP 135 Cb 0.63 -0.70 -0.13 0.00 -0.64 0.00 0.00 41.12 40.28 2q4s n ASP 135 CO 0.00 0.00 0.00 0.28 0.13 0.00 0.00 177.20 177.61 2q4s h SER 136 N 0.00 0.09 -0.13 -2.24 0.02 -1.96 -3.36 113.55 105.97 2q4s h SER 136 Ca 0.00 -0.14 -0.09 0.00 -0.84 0.00 0.00 61.79 60.72 2q4s h SER 136 Cb 0.05 -0.03 0.00 0.00 0.14 0.00 0.00 62.40 62.56 2q4s h SER 136 CO 0.00 1.12 -0.27 0.40 -1.14 0.00 0.00 176.83 176.94 2q4s h ILE 137 N 0.02 1.37 0.00 3.27 2.04 -1.74 -3.50 117.51 118.96 2q4s h ILE 137 Ca -0.19 -1.54 0.00 0.00 1.00 0.00 0.00 64.86 64.12 2q4s h ILE 137 Cb 1.94 2.03 0.00 0.00 -0.74 0.00 0.00 36.82 40.05 2q4s h ILE 137 CO 0.11 0.46 0.00 0.61 0.00 0.00 0.00 178.15 179.33 2q4s n GLY 138 N 0.43 -0.28 3.45 5.37 0.00 -1.11 -4.96 105.19 108.09 2q4s n GLY 138 Ca -0.07 -1.03 -0.24 0.00 0.00 0.00 0.00 46.02 44.68 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 2.55 0.05 0.99 1.43 -0.60 -4.41 118.68 118.70 2q4s s LEU 139 Ca 0.00 -0.99 -0.06 0.00 -1.03 0.00 0.00 54.13 52.05 2q4s s LEU 139 Cb 0.00 -1.09 -0.01 0.00 0.03 0.00 0.00 46.19 45.12 2q4s s LEU 139 CO 0.00 0.05 0.12 -1.38 0.23 0.00 0.00 176.35 175.36 2q4s s HIS 140 N -2.34 0.22 -0.02 0.29 -3.43 -0.15 -0.81 115.29 109.04 2q4s s HIS 140 Ca 0.27 -0.59 -0.00 0.00 -0.80 0.00 0.00 55.06 53.95 2q4s s HIS 140 Cb -0.05 -0.14 -0.04 0.00 -1.43 0.00 0.00 32.58 30.92 2q4s s HIS 140 CO 0.13 -0.43 0.04 0.50 -2.00 0.00 0.00 174.74 172.98 2q4s s ARG 141 N -3.18 2.95 -0.03 -0.38 6.06 -0.76 0.21 118.95 123.83 2q4s s ARG 141 Ca -0.00 -0.51 0.05 0.00 -2.50 0.00 0.00 55.73 52.76 2q4s s ARG 141 Cb 0.02 -2.78 -0.01 0.00 0.06 0.00 0.00 34.95 32.24 2q4s s ARG 141 CO -0.07 0.65 -0.16 0.08 -2.50 0.00 0.00 175.30 173.30 2q4s s VAL 142 N -1.10 1.31 -0.21 7.11 1.01 -1.25 -2.77 120.40 124.50 2q4s s VAL 142 Ca 0.20 -0.68 -0.18 0.00 0.00 0.00 0.00 61.98 61.32 2q4s s VAL 142 Cb -0.12 -1.11 0.06 0.00 0.00 0.00 0.00 36.38 35.21 2q4s s VAL 142 CO 0.10 0.38 0.55 -1.83 0.00 0.00 0.00 175.10 174.30 2q4s s GLU 143 N -0.16 0.63 -0.53 2.72 -1.05 -1.07 0.31 118.70 119.55 2q4s s GLU 143 Ca 0.01 0.81 -0.24 0.00 -0.15 0.00 0.00 54.97 55.40 2q4s s GLU 143 Cb -0.09 0.27 0.04 0.00 -0.44 0.00 0.00 34.13 33.91 2q4s s GLU 143 CO 0.01 -0.09 0.94 1.21 0.95 0.00 0.00 175.26 178.27 2q4s s ASN 144 N 0.50 6.38 0.00 0.83 2.47 -0.18 -0.77 114.94 124.17 2q4s s ASN 144 Ca -0.02 -0.24 0.28 0.00 0.42 0.00 0.00 52.86 53.30 2q4s s ASN 144 Cb -0.04 -2.44 1.01 0.00 -1.45 0.00 0.00 41.25 38.33 2q4s s ASN 144 CO -0.02 -1.19 1.72 1.33 -3.72 0.00 0.00 177.10 175.22 2q4s n VAL 145 N 6.25 0.00 -2.13 -5.21 0.24 -1.26 -0.86 118.33 115.37 2q4s n VAL 145 Ca 0.03 -0.15 -0.40 0.00 -2.04 0.00 0.00 64.34 61.77 2q4s n VAL 145 Cb 0.48 0.29 -0.02 0.00 -1.47 0.00 0.00 33.84 33.12 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 -2.29 6.66 0.04 -1.34 0.15 -1.26 -4.62 113.70 111.03 2q4s s SER 146 Ca 0.31 2.64 0.24 0.00 0.70 0.00 0.00 55.95 59.85 2q4s s SER 146 Cb 0.20 -2.64 0.35 0.00 -1.71 0.00 0.00 66.02 62.22 2q4s s SER 146 CO 0.44 -0.61 1.30 1.41 1.20 0.00 0.00 173.24 176.98 2q4s n HIS 147 N 0.60 0.17 -0.48 3.44 8.25 -1.26 -1.79 115.22 124.15 2q4s n HIS 147 Ca 0.01 0.05 0.00 0.00 -0.26 0.00 0.00 57.72 57.52 2q4s n HIS 147 Cb 0.43 -0.36 0.00 0.00 1.12 0.00 0.00 29.99 31.18 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 -1.72 0.00 -3.69 1.59 -2.24 -1.26 -4.91 114.28 102.05 2q4s n THR 148 Ca 0.04 -0.23 -0.30 0.00 -2.27 0.00 0.00 64.05 61.29 2q4s n THR 148 Cb 0.38 1.48 -0.15 0.00 -2.10 0.00 0.00 70.33 69.94 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 -0.05 0.71 0.66 -0.78 0.41 -1.26 -5.05 118.70 113.35 2q4s s GLU 149 Ca 0.00 -1.14 -0.17 0.00 -0.41 0.00 0.00 54.97 53.25 2q4s s GLU 149 Cb 0.00 -1.90 -0.08 0.00 -1.78 0.00 0.00 34.13 30.37 2q4s s GLU 149 CO 0.00 -1.02 0.33 -2.30 -0.49 0.00 0.00 175.26 171.77 2q4s n PRO 150 N 4.69 0.29 -4.54 0.39 -0.02 -1.26 -4.74 135.00 129.81 2q4s n PRO 150 Ca -0.00 0.13 -0.26 0.00 -2.02 0.00 0.00 63.50 61.34 2q4s n PRO 150 Cb 0.41 -1.60 -0.11 0.00 -0.02 0.00 0.00 33.50 32.19 2q4s n PRO 150 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 2q4s s ALA 151 N -1.88 2.93 -0.09 3.55 0.00 -0.68 -4.56 121.76 121.04 2q4s s ALA 151 Ca 0.63 -2.09 -0.04 0.00 0.00 0.00 0.00 51.96 50.47 2q4s s ALA 151 Cb -0.39 -0.03 0.05 0.00 0.00 0.00 0.00 23.12 22.75 2q4s s ALA 151 CO 0.60 0.07 0.18 0.08 0.00 0.00 0.00 175.76 176.68 2q4s s VAL 152 N -2.63 -0.22 0.40 0.00 1.01 -0.81 -1.77 120.40 116.37 2q4s s VAL 152 Ca 0.32 0.29 0.08 0.00 0.00 0.00 0.00 61.98 62.67 2q4s s VAL 152 Cb 0.03 -0.31 -0.01 0.00 0.00 0.00 0.00 36.38 36.09 2q4s s VAL 152 CO 0.16 0.12 0.44 -0.55 0.00 0.00 0.00 175.10 175.27 2q4s s SER 153 N 1.99 5.35 -0.31 3.32 0.15 0.15 -1.02 113.70 123.32 2q4s s SER 153 Ca -0.01 -0.57 -0.02 0.00 0.70 0.00 0.00 55.95 56.06 2q4s s SER 153 Cb -0.12 -0.70 0.12 0.00 -1.71 0.00 0.00 66.02 63.62 2q4s s SER 153 CO -0.06 -0.64 0.21 -0.22 1.20 0.00 0.00 173.24 173.73 2q4s s LEU 154 N -4.19 0.43 0.12 3.45 2.96 -0.78 -1.73 118.68 118.93 2q4s s LEU 154 Ca 0.49 -1.43 -0.04 0.00 -0.22 0.00 0.00 54.13 52.94 2q4s s LEU 154 Cb -0.06 -0.10 -0.05 0.00 0.50 0.00 0.00 46.19 46.48 2q4s s LEU 154 CO 0.30 -0.38 0.34 -1.00 -1.32 0.00 0.00 176.35 174.28 2q4s s HIS 155 N 1.84 3.49 -0.07 5.38 3.76 -1.26 -1.53 115.29 126.90 2q4s s HIS 155 Ca 0.12 0.50 0.01 0.00 -0.15 0.00 0.00 55.06 55.54 2q4s s HIS 155 Cb -0.17 -1.96 0.02 0.00 1.11 0.00 0.00 32.58 31.58 2q4s s HIS 155 CO -0.24 0.47 -0.06 -1.17 -0.85 0.00 0.00 174.74 172.90 2q4s s LEU 156 N -2.57 1.23 0.02 0.89 2.96 -0.42 -4.35 118.68 116.44 2q4s s LEU 156 Ca 0.39 -0.20 0.06 0.00 -0.22 0.00 0.00 54.13 54.16 2q4s s LEU 156 Cb -0.12 -0.63 -0.02 0.00 0.50 0.00 0.00 46.19 45.92 2q4s s LEU 156 CO 0.25 -0.08 -0.19 -0.31 -1.32 0.00 0.00 176.35 174.70 2q4s s TYR 157 N 1.25 1.65 -0.19 5.38 2.02 -0.97 -0.59 117.35 125.91 2q4s s TYR 157 Ca -0.05 -0.34 -0.08 0.00 -0.37 0.00 0.00 57.07 56.22 2q4s s TYR 157 Cb -0.14 -1.02 0.07 0.00 -0.40 0.00 0.00 41.96 40.48 2q4s s TYR 157 CO -0.02 0.04 0.42 0.45 -1.57 0.00 0.00 175.55 174.87 2q4s s SER 158 N -0.87 -0.40 0.93 2.29 0.15 -0.83 -2.21 113.70 112.76 2q4s s SER 158 Ca 0.06 0.96 -0.12 0.00 0.70 0.00 0.00 55.95 57.55 2q4s s SER 158 Cb -0.08 1.07 0.15 0.00 -1.71 0.00 0.00 66.02 65.45 2q4s s SER 158 CO 0.01 -0.21 1.11 -2.84 1.20 0.00 0.00 173.24 172.51 2q4s s PRO 159 N 2.00 0.98 0.78 5.44 0.02 -1.26 -0.96 135.00 142.00 2q4s s PRO 159 Ca -0.06 0.45 -0.12 0.00 0.02 0.00 0.00 61.00 61.29 2q4s s PRO 159 Cb -0.10 -1.81 0.06 0.00 0.02 0.00 0.00 34.50 32.68 2q4s s PRO 159 CO -0.13 -2.34 1.13 -2.14 -0.33 0.00 0.00 177.00 173.19 2q4s s PRO 160 N -5.13 2.04 0.03 5.54 0.02 -1.26 -4.78 135.00 131.47 2q4s s PRO 160 Ca 0.64 1.42 -0.03 0.00 0.02 0.00 0.00 61.00 63.05 2q4s s PRO 160 Cb -0.16 -1.85 -0.02 0.00 0.02 0.00 0.00 34.50 32.48 2q4s s PRO 160 CO 0.55 -1.84 0.03 -0.59 -0.33 0.00 0.00 177.00 174.82 2q4s s PHE 161 N -2.55 0.28 -0.68 6.54 -0.12 -1.26 -5.04 117.98 115.15 2q4s s PHE 161 Ca 0.66 -0.63 0.09 0.00 -0.05 0.00 0.00 56.93 57.01 2q4s s PHE 161 Cb -0.21 -0.21 -0.04 0.00 -0.63 0.00 0.00 43.02 41.92 2q4s s PHE 161 CO 0.51 -0.32 0.51 -0.40 -0.05 0.00 0.00 175.22 175.48 2q4s n ASP 162 N 0.88 0.85 -4.15 1.98 5.68 -1.26 -5.03 116.55 115.50 2q4s n ASP 162 Ca -0.19 -0.93 -0.10 0.00 -0.50 0.00 0.00 54.79 53.07 2q4s n ASP 162 Cb 0.58 0.70 -0.10 0.00 -1.14 0.00 0.00 41.12 41.16 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 -1.55 0.46 0.18 2.12 -4.23 -1.26 -4.52 115.64 106.84 2q4s s THR 163 Ca 0.06 -1.90 -0.01 0.00 -1.18 0.00 0.00 61.69 58.66 2q4s s THR 163 Cb 0.07 -1.72 0.00 0.00 1.34 0.00 0.00 72.50 72.20 2q4s s THR 163 CO 0.30 -0.82 0.25 0.00 -0.54 0.00 0.00 174.62 173.81 2q4s s HIS 165 N -3.97 2.39 -0.10 0.00 3.76 -1.26 -0.46 115.29 115.64 2q4s s HIS 165 Ca 0.15 -0.38 -0.01 0.00 -0.15 0.00 0.00 55.06 54.67 2q4s s HIS 165 Cb -0.01 -1.45 -0.03 0.00 1.11 0.00 0.00 32.58 32.20 2q4s s HIS 165 CO 0.11 0.09 -0.05 0.00 -0.85 0.00 0.00 174.74 174.04 2q4s s ALA 166 N -0.75 3.02 0.33 -1.40 0.00 0.15 -3.35 121.76 119.76 2q4s s ALA 166 Ca 0.12 -0.85 0.07 0.00 0.00 0.00 0.00 51.96 51.29 2q4s s ALA 166 Cb -0.10 -1.37 -0.01 0.00 0.00 0.00 0.00 23.12 21.64 2q4s s ALA 166 CO 0.01 0.46 0.43 -0.06 0.00 0.00 0.00 175.76 176.60 2q4s s PHE 167 N -0.42 3.10 -0.39 0.00 0.08 -0.63 -0.44 117.98 119.28 2q4s s PHE 167 Ca 0.07 -0.22 -0.11 0.00 0.12 0.00 0.00 56.93 56.78 2q4s s PHE 167 Cb -0.12 -1.93 0.04 0.00 -0.57 0.00 0.00 43.02 40.43 2q4s s PHE 167 CO 0.02 0.05 0.23 0.34 -0.10 0.00 0.00 175.22 175.77 2q4s s ASP 168 N -4.13 5.79 0.61 1.36 3.68 0.63 -4.52 116.67 120.09 2q4s s ASP 168 Ca 0.44 -1.07 0.30 0.00 2.13 0.00 0.00 52.55 54.35 2q4s s ASP 168 Cb -0.09 -2.04 1.66 0.00 -1.45 0.00 0.00 42.92 41.00 2q4s s ASP 168 CO 0.30 -0.43 2.03 -0.61 0.13 0.00 0.00 175.17 176.59 2q4s h GLN 169 N 8.47 0.00 0.00 4.34 4.15 -1.97 0.28 115.11 130.38 2q4s h GLN 169 Ca -0.25 0.00 -0.12 0.00 0.77 0.00 0.00 58.65 59.04 2q4s h GLN 169 Cb 1.10 0.00 -0.02 0.00 0.21 0.00 0.00 27.48 28.77 2q4s h GLN 169 CO 0.70 0.00 -1.38 0.54 -1.93 0.00 0.00 178.83 176.76 2q4s n ARG 170 N -3.54 0.62 0.00 1.69 5.12 -1.26 -4.73 116.66 114.56 2q4s n ARG 170 Ca 0.02 0.17 0.00 0.00 -1.93 0.00 0.00 57.85 56.11 2q4s n ARG 170 Cb 0.41 -1.79 0.00 0.00 -1.16 0.00 0.00 32.46 29.92 2q4s n ARG 170 CO 0.00 0.00 0.00 0.25 -1.93 0.00 0.00 177.63 175.95 2q4s n THR 171 N -2.79 0.00 -0.00 0.55 -2.24 -0.60 -2.61 114.28 106.58 2q4s n THR 171 Ca -0.08 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.70 2q4s n THR 171 Cb 0.76 -0.73 0.00 0.00 -2.10 0.00 0.00 70.33 68.26 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 2.52 0.24 3.78 3.38 0.00 0.87 -1.07 105.19 114.91 2q4s n GLY 172 Ca 0.00 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.67 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 -2.01 2.70 0.19 1.61 5.65 -1.26 -4.62 115.29 117.56 2q4s s HIS 173 Ca 0.00 1.55 0.08 0.00 0.25 0.00 0.00 55.06 56.94 2q4s s HIS 173 Cb 0.00 -3.24 -0.05 0.00 -1.18 0.00 0.00 32.58 28.11 2q4s s HIS 173 CO 0.00 -1.52 -0.16 -1.59 -0.65 0.00 0.00 174.74 170.83 2q4s s LYS 174 N -3.44 1.31 0.01 2.88 -2.85 -1.26 -0.27 119.74 116.13 2q4s s LYS 174 Ca 0.71 -1.53 0.01 0.00 -1.00 0.00 0.00 55.97 54.16 2q4s s LYS 174 Cb -0.22 -1.18 -0.01 0.00 -2.06 0.00 0.00 37.83 34.35 2q4s s LYS 174 CO 0.29 0.21 -0.05 0.54 0.10 0.00 0.00 175.35 176.44 2q4s s ASN 175 N -3.12 0.55 0.20 0.03 4.22 0.41 -4.95 114.94 112.29 2q4s s ASN 175 Ca 0.20 -0.27 -0.30 0.00 -2.14 0.00 0.00 52.86 50.35 2q4s s ASN 175 Cb -0.02 -0.00 -0.08 0.00 1.28 0.00 0.00 41.25 42.42 2q4s s ASN 175 CO 0.07 -0.08 1.11 -0.75 -2.04 0.00 0.00 177.10 175.42 2q4s s LYS 176 N -0.73 4.59 -0.02 3.55 2.20 -1.26 -0.67 119.74 127.40 2q4s s LYS 176 Ca -0.04 1.76 0.04 0.00 -0.36 0.00 0.00 55.97 57.36 2q4s s LYS 176 Cb -0.05 -3.25 -0.01 0.00 -1.51 0.00 0.00 37.83 33.01 2q4s s LYS 176 CO -0.00 0.08 -0.12 0.08 -0.36 0.00 0.00 175.35 175.03 2q4s s VAL 177 N -0.43 0.99 0.19 4.02 1.01 0.39 -4.90 120.40 121.67 2q4s s VAL 177 Ca 0.49 -0.52 0.02 0.00 0.00 0.00 0.00 61.98 61.96 2q4s s VAL 177 Cb -0.30 -0.84 0.02 0.00 0.00 0.00 0.00 36.38 35.25 2q4s s VAL 177 CO 0.37 0.29 0.17 0.41 0.00 0.00 0.00 175.10 176.33 2q4s n THR 178 N 2.89 0.00 -3.64 3.92 -1.04 -1.26 -1.27 114.28 113.88 2q4s n THR 178 Ca -0.15 -0.73 -0.06 0.00 -2.04 0.00 0.00 64.05 61.07 2q4s n THR 178 Cb 0.55 -0.44 -0.07 0.00 -1.82 0.00 0.00 70.33 68.55 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 -0.78 0.00 0.05 12.58 -4.23 -1.26 -5.01 115.64 116.99 2q4s s THR 180 Ca 0.13 0.00 -0.20 0.00 -1.18 0.00 0.00 61.69 60.43 2q4s s THR 180 Cb -0.01 -1.00 -0.06 0.00 1.34 0.00 0.00 72.50 72.77 2q4s s THR 180 CO 0.08 0.00 0.60 -0.36 -0.54 0.00 0.00 174.62 174.40 2q4s s PHE 181 N 0.48 3.76 -0.28 3.99 0.08 -1.26 -4.35 117.98 120.40 2q4s s PHE 181 Ca 0.01 1.27 0.22 0.00 0.12 0.00 0.00 56.93 58.55 2q4s s PHE 181 Cb -0.05 -2.56 0.08 0.00 -0.57 0.00 0.00 43.02 39.92 2q4s s PHE 181 CO -0.10 0.49 1.18 1.25 -0.10 0.00 0.00 175.22 177.94 2q4s h HIS 182 N 4.97 0.00 -2.31 0.36 -0.00 -0.23 -3.43 115.15 114.51 2q4s h HIS 182 Ca -0.48 0.00 0.11 0.00 -0.00 0.00 0.00 60.37 60.00 2q4s h HIS 182 Cb 1.21 0.00 -0.15 0.00 -0.00 0.00 0.00 27.41 28.47 2q4s h HIS 182 CO 0.67 0.02 0.48 -1.54 -0.00 0.00 0.00 177.93 177.56 2q4s s SER 183 N -5.60 -0.36 -0.03 3.26 1.04 -1.22 -2.61 113.70 108.17 2q4s s SER 183 Ca 0.01 -0.02 0.00 0.00 0.48 0.00 0.00 55.95 56.43 2q4s s SER 183 Cb 0.08 0.40 0.03 0.00 0.10 0.00 0.00 66.02 66.63 2q4s s SER 183 CO 0.76 -0.65 -0.00 -0.54 0.98 0.00 0.00 173.24 173.79 2q4s s LYS 184 N -3.15 0.35 -1.50 4.02 1.02 0.60 -1.61 119.74 119.47 2q4s s LYS 184 Ca 0.05 0.06 -0.13 0.00 0.02 0.00 0.00 55.97 55.97 2q4s s LYS 184 Cb -0.01 -0.52 0.08 0.00 -0.52 0.00 0.00 37.83 36.87 2q4s s LYS 184 CO -0.09 -0.13 0.83 1.19 -0.92 0.00 0.00 175.35 176.24 2q4s n PHE 185 N 4.13 -2.12 -0.39 3.18 3.72 -0.59 -0.71 117.46 124.68 2q4s n PHE 185 Ca -0.26 0.77 0.00 0.00 -0.05 0.00 0.00 57.45 57.90 2q4s n PHE 185 Cb 0.50 -3.70 0.00 0.00 -0.94 0.00 0.00 39.48 35.35 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 -1.54 1.71 3.63 1.37 0.00 -1.26 -5.03 105.19 104.07 2q4s n GLY 186 Ca 0.02 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.68 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 -3.21 5.11 0.26 -0.61 -1.09 0.12 -4.92 121.20 116.85 2q4s s ILE 187 Ca 0.00 0.09 -0.30 0.00 -2.23 0.00 0.00 60.65 58.21 2q4s s ILE 187 Cb 0.00 -3.37 -0.11 0.00 -1.58 0.00 0.00 42.46 37.40 2q4s s ILE 187 CO 0.00 0.36 1.51 -0.60 -1.23 0.00 0.00 174.94 174.98 2q4s s ARG 188 N 1.01 4.21 -0.58 2.79 6.06 -1.26 -0.29 118.95 130.88 2q4s s ARG 188 Ca 0.06 2.41 0.04 0.00 -2.50 0.00 0.00 55.73 55.75 2q4s s ARG 188 Cb -0.14 -3.08 0.17 0.00 0.06 0.00 0.00 34.95 31.96 2q4s s ARG 188 CO 0.04 -0.51 0.43 0.95 -2.50 0.00 0.00 175.30 173.70 2q4s s THR 189 N 0.09 1.83 -2.00 4.11 -4.23 -1.07 -4.88 115.64 109.49 2q4s s THR 189 Ca 0.62 -3.58 0.03 0.00 -1.18 0.00 0.00 61.69 57.57 2q4s s THR 189 Cb -0.44 -2.22 0.08 0.00 1.34 0.00 0.00 72.50 71.26 2q4s s THR 189 CO 0.44 -1.10 0.64 -2.65 -0.54 0.00 0.00 174.62 171.42