#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 4.36 0.37 -4.62 1.43 -1.26 -5.09 118.68 113.86 2q4s s LEU 6 Ca 0.00 0.67 0.09 0.00 -1.03 0.00 0.00 54.13 53.86 2q4s s LEU 6 Cb 0.00 -2.39 -0.07 0.00 0.03 0.00 0.00 46.19 43.76 2q4s s LEU 6 CO 0.00 0.24 -0.03 -0.76 0.23 0.00 0.00 176.35 176.03 2q4s s LEU 7 N -0.40 2.83 -0.02 1.79 1.43 -1.26 -5.09 118.68 117.97 2q4s s LEU 7 Ca 0.19 -1.21 -0.30 0.00 -1.03 0.00 0.00 54.13 51.78 2q4s s LEU 7 Cb -0.14 -1.05 -0.06 0.00 0.03 0.00 0.00 46.19 44.97 2q4s s LEU 7 CO 0.07 -0.30 1.69 -0.75 0.23 0.00 0.00 176.35 177.29 2q4s s LYS 8 N -3.67 4.18 0.11 1.70 2.20 -1.26 -4.93 119.74 118.07 2q4s s LYS 8 Ca 0.34 2.26 -0.31 0.00 -0.36 0.00 0.00 55.97 57.90 2q4s s LYS 8 Cb 0.04 -3.92 -0.10 0.00 -1.51 0.00 0.00 37.83 32.34 2q4s s LYS 8 CO 0.18 -0.83 1.80 -2.14 -0.36 0.00 0.00 175.35 174.00 2q4s s PRO 9 N 3.78 4.15 0.00 4.03 0.02 -1.26 -4.95 135.00 140.77 2q4s s PRO 9 Ca 0.75 2.55 0.00 0.00 0.02 0.00 0.00 61.00 64.32 2q4s s PRO 9 Cb -0.36 -3.62 0.00 0.00 0.02 0.00 0.00 34.50 30.55 2q4s s PRO 9 CO 0.31 -0.83 0.15 0.54 -0.33 0.00 0.00 177.00 176.84 2q4s n ARG 10 N 5.73 0.00 -0.87 5.54 1.74 -1.26 -4.53 116.66 123.01 2q4s n ARG 10 Ca 0.17 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 57.25 2q4s n ARG 10 Cb 0.39 -0.55 0.00 0.00 -1.02 0.00 0.00 32.46 31.28 2q4s n ARG 10 CO 0.00 0.00 0.00 0.25 -1.52 0.00 0.00 177.63 176.36 2q4s n THR 11 N -0.22 0.00 -0.19 0.55 -2.24 -1.26 -4.64 114.28 106.27 2q4s n THR 11 Ca 0.00 0.00 -0.08 0.00 -2.27 0.00 0.00 64.05 61.70 2q4s n THR 11 Cb 0.00 -0.31 0.02 0.00 -2.10 0.00 0.00 70.33 67.94 2q4s n THR 11 CO 0.00 0.00 0.00 0.25 -0.57 0.00 0.00 175.07 174.75 2q4s h LEU 12 N 0.00 0.78 -0.99 3.22 5.85 -1.92 -1.32 115.31 120.94 2q4s h LEU 12 Ca 0.00 -0.19 0.04 0.00 0.84 0.00 0.00 57.88 58.57 2q4s h LEU 12 Cb 0.00 -0.20 -0.06 0.00 0.37 0.00 0.00 40.66 40.77 2q4s h LEU 12 CO 0.00 0.77 0.64 0.00 -0.34 0.00 0.00 178.44 179.51 2q4s h ALA 13 N 1.05 1.32 -0.34 1.25 0.00 -1.95 0.17 119.26 120.75 2q4s h ALA 13 Ca 0.18 -0.04 -0.05 0.00 0.00 0.00 0.00 54.91 54.99 2q4s h ALA 13 Cb 0.25 -0.34 -0.01 0.00 0.00 0.00 0.00 17.79 17.69 2q4s h ALA 13 CO -0.01 0.52 0.00 0.22 0.00 0.00 0.00 179.25 179.98 2q4s h ASP 14 N 1.23 0.59 -0.48 0.00 3.58 -1.86 -0.65 116.42 118.84 2q4s h ASP 14 Ca 0.40 -0.31 0.08 0.00 0.42 0.00 0.00 57.03 57.62 2q4s h ASP 14 Cb 0.03 -0.16 -0.07 0.00 1.72 0.00 0.00 39.33 40.86 2q4s h ASP 14 CO -0.13 0.76 0.10 0.25 -2.88 0.00 0.00 179.24 177.34 2q4s h LEU 15 N 0.41 0.02 -0.78 2.28 5.85 -0.31 0.01 115.31 122.80 2q4s h LEU 15 Ca 0.10 0.08 0.01 0.00 0.84 0.00 0.00 57.88 58.91 2q4s h LEU 15 Cb 0.45 0.11 -0.04 0.00 0.37 0.00 0.00 40.66 41.55 2q4s h LEU 15 CO 0.02 0.04 0.51 0.40 -0.34 0.00 0.00 178.44 179.07 2q4s h ILE 16 N 0.24 1.19 -0.51 4.05 2.04 -0.21 0.79 117.51 125.11 2q4s h ILE 16 Ca 0.24 -0.36 0.01 0.00 1.00 0.00 0.00 64.86 65.75 2q4s h ILE 16 Cb 0.31 0.06 -0.03 0.00 -0.74 0.00 0.00 36.82 36.41 2q4s h ILE 16 CO -0.30 0.19 0.33 -0.09 0.00 0.00 0.00 178.15 178.27 2q4s h ARG 17 N 1.04 0.64 -0.61 2.37 2.43 -0.28 -0.41 114.38 119.57 2q4s h ARG 17 Ca 0.29 -0.04 -0.06 0.00 -0.81 0.00 0.00 59.98 59.36 2q4s h ARG 17 Cb -0.11 -0.14 -0.03 0.00 -0.42 0.00 0.00 29.97 29.27 2q4s h ARG 17 CO -0.07 0.42 0.14 0.82 -1.51 0.00 0.00 179.97 179.77 2q4s h ILE 18 N 0.66 1.24 -0.55 1.20 2.04 -0.40 -2.48 117.51 119.22 2q4s h ILE 18 Ca 0.19 -0.90 -0.06 0.00 1.00 0.00 0.00 64.86 65.09 2q4s h ILE 18 Cb -0.04 0.63 -0.02 0.00 -0.74 0.00 0.00 36.82 36.64 2q4s h ILE 18 CO -0.06 0.34 0.11 -0.07 0.00 0.00 0.00 178.15 178.47 2q4s h LEU 19 N 0.91 0.86 -1.91 1.44 3.38 -0.23 -1.75 115.31 118.01 2q4s h LEU 19 Ca 0.19 -0.25 -0.00 0.00 0.09 0.00 0.00 57.88 57.91 2q4s h LEU 19 Cb 0.34 -0.23 -0.00 0.00 0.09 0.00 0.00 40.66 40.86 2q4s h LEU 19 CO 0.00 0.89 0.02 0.45 0.09 0.00 0.00 178.44 179.89 2q4s h HIS 20 N 0.80 0.07 -0.28 1.13 3.86 -0.68 -1.45 115.15 118.60 2q4s h HIS 20 Ca 0.17 0.00 -0.16 0.00 -1.16 0.00 0.00 60.37 59.22 2q4s h HIS 20 Cb 0.38 -0.02 -0.00 0.00 1.06 0.00 0.00 27.41 28.83 2q4s h HIS 20 CO 0.03 0.06 -0.45 0.93 0.86 0.00 0.00 177.93 179.36 2q4s h GLU 21 N 0.08 0.80 -0.11 2.45 5.08 -0.98 -3.03 114.58 118.88 2q4s h GLU 21 Ca 0.02 -0.49 -0.06 0.00 -1.00 0.00 0.00 59.36 57.83 2q4s h GLU 21 Cb 0.02 0.05 -0.01 0.00 0.50 0.00 0.00 28.75 29.31 2q4s h GLU 21 CO -0.00 1.12 -0.22 -0.07 -1.00 0.00 0.00 179.01 178.84 2q4s h LEU 22 N 0.57 0.18 -3.58 1.33 3.38 -0.51 -2.80 115.31 113.88 2q4s h LEU 22 Ca 0.02 -0.05 -0.10 0.00 0.09 0.00 0.00 57.88 57.85 2q4s h LEU 22 Cb 1.05 -0.05 -0.06 0.00 0.09 0.00 0.00 40.66 41.70 2q4s h LEU 22 CO 0.10 0.41 0.12 0.49 0.09 0.00 0.00 178.44 179.66 2q4s n PHE 23 N -4.21 2.22 0.10 1.13 3.72 -0.62 -4.46 117.46 115.33 2q4s n PHE 23 Ca -0.01 -0.92 -0.03 0.00 -0.05 0.00 0.00 57.45 56.44 2q4s n PHE 23 Cb 0.32 -0.59 0.20 0.00 -0.94 0.00 0.00 39.48 38.47 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 3.39 1.04 -3.41 4.37 0.00 -1.37 -3.45 119.26 119.83 2q4s h ALA 24 Ca 0.12 -0.46 -0.03 0.00 0.00 0.00 0.00 54.91 54.54 2q4s h ALA 24 Cb 2.12 -0.09 0.01 0.00 0.00 0.00 0.00 17.79 19.83 2q4s h ALA 24 CO 0.60 0.64 0.02 0.41 0.00 0.00 0.00 179.25 180.91 2q4s n GLY 25 N -0.04 -0.19 0.02 0.00 0.00 -1.26 -5.02 105.19 98.70 2q4s n GLY 25 Ca -0.02 -1.82 0.11 0.00 0.00 0.00 0.00 46.02 44.30 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 -3.03 0.63 -3.82 1.61 8.00 -1.26 -4.94 116.55 113.74 2q4s n ASP 26 Ca 0.01 -0.24 -0.20 0.00 0.71 0.00 0.00 54.79 55.07 2q4s n ASP 26 Cb 0.04 0.53 -0.03 0.00 -0.02 0.00 0.00 41.12 41.64 2q4s n ASP 26 CO 0.00 0.00 0.00 -0.62 -0.39 0.00 0.00 177.20 176.19 2q4s n GLU 27 N -1.80 1.10 -3.95 -1.24 -0.58 -1.26 -5.15 120.64 107.76 2q4s n GLU 27 Ca 0.03 -2.42 -0.19 0.00 -0.42 0.00 0.00 57.16 54.17 2q4s n GLU 27 Cb 0.39 0.53 -0.16 0.00 -0.57 0.00 0.00 31.44 31.63 2q4s n GLU 27 CO 0.00 0.00 0.00 0.08 -0.48 0.00 0.00 177.13 176.73 2q4s s VAL 28 N -2.09 0.28 -0.67 2.62 1.01 -1.26 -4.87 120.40 115.41 2q4s s VAL 28 Ca 0.07 0.06 -0.21 0.00 0.00 0.00 0.00 61.98 61.90 2q4s s VAL 28 Cb -0.01 -0.37 0.09 0.00 0.00 0.00 0.00 36.38 36.10 2q4s s VAL 28 CO 0.04 0.18 0.88 0.21 0.00 0.00 0.00 175.10 176.42 2q4s s ASN 29 N 1.17 6.23 0.14 3.32 3.84 -1.26 -4.93 114.94 123.45 2q4s s ASN 29 Ca -0.08 -1.29 -0.21 0.00 0.21 0.00 0.00 52.86 51.49 2q4s s ASN 29 Cb -0.13 -2.37 0.02 0.00 -0.55 0.00 0.00 41.25 38.21 2q4s s ASN 29 CO -0.02 -1.27 1.66 0.58 -2.79 0.00 0.00 177.10 175.26 2q4s h VAL 30 N 5.92 0.56 -0.26 -5.21 2.07 -1.99 -1.70 116.25 115.64 2q4s h VAL 30 Ca -0.24 0.00 -0.05 0.00 0.82 0.00 0.00 66.70 67.23 2q4s h VAL 30 Cb 1.07 0.56 -0.01 0.00 -1.52 0.00 0.00 31.29 31.39 2q4s h VAL 30 CO 1.14 0.00 -0.05 -0.33 0.02 0.00 0.00 177.57 178.35 2q4s h GLU 31 N -0.15 0.40 0.39 1.57 4.39 -1.98 0.14 114.58 119.34 2q4s h GLU 31 Ca 0.13 -0.09 -0.02 0.00 0.34 0.00 0.00 59.36 59.72 2q4s h GLU 31 Cb 0.34 -0.06 0.00 0.00 -0.10 0.00 0.00 28.75 28.93 2q4s h GLU 31 CO -0.31 0.47 -0.19 0.93 -1.16 0.00 0.00 179.01 178.76 2q4s h GLU 32 N 0.39 -0.50 -0.87 2.33 5.08 -1.80 0.70 114.58 119.91 2q4s h GLU 32 Ca 0.08 0.03 -0.00 0.00 -1.00 0.00 0.00 59.36 58.47 2q4s h GLU 32 Cb 0.34 0.11 -0.04 0.00 0.50 0.00 0.00 28.75 29.67 2q4s h GLU 32 CO 0.01 -0.22 0.53 0.28 -1.00 0.00 0.00 179.01 178.61 2q4s h VAL 33 N -0.76 1.24 -0.85 3.13 2.07 -1.16 -0.32 116.25 119.60 2q4s h VAL 33 Ca -0.05 -0.51 0.01 0.00 0.82 0.00 0.00 66.70 66.97 2q4s h VAL 33 Cb 0.52 0.01 -0.04 0.00 -1.52 0.00 0.00 31.29 30.26 2q4s h VAL 33 CO 0.09 0.25 0.56 -0.61 0.02 0.00 0.00 177.57 177.88 2q4s h GLN 34 N 1.19 1.10 -0.59 1.57 4.15 -0.70 -2.32 115.11 119.50 2q4s h GLN 34 Ca 0.31 -0.07 -0.06 0.00 0.77 0.00 0.00 58.65 59.60 2q4s h GLN 34 Cb -0.06 -0.25 -0.03 0.00 0.21 0.00 0.00 27.48 27.36 2q4s h GLN 34 CO -0.06 0.73 0.11 0.00 -1.93 0.00 0.00 178.83 177.68 2q4s h ALA 35 N 1.32 1.08 -0.08 3.38 0.00 0.25 -2.43 119.26 122.78 2q4s h ALA 35 Ca 0.32 -0.24 -0.03 0.00 0.00 0.00 0.00 54.91 54.96 2q4s h ALA 35 Cb -0.10 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 17.45 2q4s h ALA 35 CO -0.08 0.60 -0.10 -0.24 0.00 0.00 0.00 179.25 179.43 2q4s h VAL 36 N 0.90 1.12 0.04 0.00 3.04 -0.58 -2.84 116.25 117.94 2q4s h VAL 36 Ca 0.19 -0.55 -0.25 0.00 -1.01 0.00 0.00 66.70 65.08 2q4s h VAL 36 Cb 0.37 1.18 0.01 0.00 -2.01 0.00 0.00 31.29 30.84 2q4s h VAL 36 CO 0.01 0.17 -1.06 -0.07 -1.01 0.00 0.00 177.57 175.61 2q4s h LEU 37 N 0.12 0.60 0.00 3.16 3.38 -1.03 -2.94 115.31 118.60 2q4s h LEU 37 Ca 0.03 -0.52 0.00 0.00 0.09 0.00 0.00 57.88 57.47 2q4s h LEU 37 Cb 0.26 -0.19 0.00 0.00 0.09 0.00 0.00 40.66 40.82 2q4s h LEU 37 CO 0.02 1.34 0.00 -0.62 0.09 0.00 0.00 178.44 179.26 2q4s n GLU 38 N -3.72 0.64 -0.05 1.13 1.02 -1.03 -3.11 120.64 115.52 2q4s n GLU 38 Ca -0.09 0.02 -0.01 0.00 -0.02 0.00 0.00 57.16 57.06 2q4s n GLU 38 Cb 0.90 -1.50 -0.14 0.00 -0.02 0.00 0.00 31.44 30.68 2q4s n GLU 38 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 2q4s n ALA 39 N -1.14 2.02 -1.92 0.62 0.00 -1.09 -4.94 120.51 114.07 2q4s n ALA 39 Ca 0.17 -0.83 -0.42 0.00 0.00 0.00 0.00 53.44 52.36 2q4s n ALA 39 Cb 0.15 -0.31 -0.03 0.00 0.00 0.00 0.00 19.45 19.26 2q4s n ALA 39 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 177.50 177.03 2q4s s TYR 40 N -2.75 2.19 -0.67 0.00 5.04 -1.12 -4.62 117.35 115.41 2q4s s TYR 40 Ca -0.08 0.21 -0.26 0.00 -2.44 0.00 0.00 57.07 54.50 2q4s s TYR 40 Cb 0.08 -3.98 0.04 0.00 0.35 0.00 0.00 41.96 38.45 2q4s s TYR 40 CO 0.71 -4.04 1.15 -2.00 -1.34 0.00 0.00 175.55 170.03 2q4s s GLU 41 N 3.18 3.23 0.21 4.97 2.56 -1.26 -4.97 118.70 126.61 2q4s s GLU 41 Ca 0.75 -0.33 -0.31 0.00 0.00 0.00 0.00 54.97 55.08 2q4s s GLU 41 Cb -0.38 -4.16 -0.10 0.00 2.00 0.00 0.00 34.13 31.49 2q4s s GLU 41 CO 0.33 -1.92 1.52 -1.54 -0.56 0.00 0.00 175.26 173.08 2q4s s SER 42 N 3.51 6.60 -0.25 -1.70 1.04 -1.26 -4.94 113.70 116.70 2q4s s SER 42 Ca 0.32 2.66 0.02 0.00 0.48 0.00 0.00 55.95 59.43 2q4s s SER 42 Cb -0.11 -2.61 0.06 0.00 0.10 0.00 0.00 66.02 63.46 2q4s s SER 42 CO 0.16 -0.78 -0.09 0.21 0.98 0.00 0.00 173.24 173.71 2q4s s ASN 43 N 0.80 4.22 0.47 7.02 2.47 -1.26 -5.03 114.94 123.64 2q4s s ASN 43 Ca 0.65 -1.31 0.33 0.00 0.42 0.00 0.00 52.86 52.95 2q4s s ASN 43 Cb -0.43 -1.41 1.46 0.00 -1.45 0.00 0.00 41.25 39.41 2q4s s ASN 43 CO 0.37 -0.21 1.67 -0.65 -3.72 0.00 0.00 177.10 174.57 2q4s h PRO 44 N 7.84 0.10 -0.05 0.43 0.11 -1.92 0.12 132.00 138.63 2q4s h PRO 44 Ca -0.19 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.92 2q4s h PRO 44 Cb 1.05 -0.02 0.00 0.00 0.11 0.00 0.00 31.00 32.14 2q4s h PRO 44 CO 0.44 0.07 0.00 0.00 -0.21 0.00 0.00 178.00 178.30 2q4s n ALA 45 N -2.64 2.59 0.44 -0.75 0.00 -1.26 -2.07 120.51 116.82 2q4s n ALA 45 Ca 0.34 -0.38 0.11 0.00 0.00 0.00 0.00 53.44 53.52 2q4s n ALA 45 Cb 1.42 -1.23 0.03 0.00 0.00 0.00 0.00 19.45 19.67 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 -0.14 0.37 0.00 0.00 1.02 0.43 -4.35 120.64 117.98 2q4s n GLU 46 Ca 0.19 0.02 0.00 0.00 -0.02 0.00 0.00 57.16 57.35 2q4s n GLU 46 Cb 0.26 -1.65 0.00 0.00 -0.02 0.00 0.00 31.44 30.03 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 -2.14 0.00 -0.09 -0.32 4.27 -1.20 -4.80 117.44 113.15 2q4s n TRP 47 Ca 0.01 -0.18 0.24 0.00 -3.89 0.00 0.00 57.50 53.68 2q4s n TRP 47 Cb 0.47 -0.02 0.70 0.00 -1.36 0.00 0.00 31.31 31.09 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 2.64 0.00 -1.67 0.00 -1.61 0.20 119.26 118.81 2q4s h ALA 48 Ca 0.00 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.89 2q4s h ALA 48 Cb 0.46 0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.30 2q4s h ALA 48 CO 0.00 -0.84 0.00 1.25 0.00 0.00 0.00 179.25 179.66 2q4s h LEU 49 N 0.02 0.00 0.00 0.00 5.85 -1.89 -2.75 115.31 116.54 2q4s h LEU 49 Ca 0.34 0.00 0.00 0.00 0.84 0.00 0.00 57.88 59.06 2q4s h LEU 49 Cb 1.32 0.00 0.00 0.00 0.37 0.00 0.00 40.66 42.35 2q4s h LEU 49 CO -0.01 0.00 -1.28 -1.22 -0.34 0.00 0.00 178.44 175.59 2q4s n TYR 50 N -2.60 0.00 -1.58 1.25 4.01 0.05 -4.40 117.16 113.88 2q4s n TYR 50 Ca -0.01 0.00 -0.41 0.00 -0.16 0.00 0.00 57.90 57.33 2q4s n TYR 50 Cb 0.14 -0.20 -0.01 0.00 -0.31 0.00 0.00 39.34 38.95 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 -1.75 6.48 -2.52 -0.72 0.00 -1.04 -4.72 120.51 116.25 2q4s n ALA 51 Ca -0.01 -3.75 -0.42 0.00 0.00 0.00 0.00 53.44 49.26 2q4s n ALA 51 Cb 0.30 -3.42 -0.08 0.00 0.00 0.00 0.00 19.45 16.25 2q4s n ALA 51 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.50 177.65 2q4s s LYS 52 N 2.48 3.34 0.40 0.00 1.02 -1.26 -5.03 119.74 120.69 2q4s s LYS 52 Ca 0.57 -0.47 -0.04 0.00 0.02 0.00 0.00 55.97 56.05 2q4s s LYS 52 Cb 0.16 -3.90 -0.04 0.00 -0.52 0.00 0.00 37.83 33.53 2q4s s LYS 52 CO -0.07 -0.78 0.68 -0.06 -0.92 0.00 0.00 175.35 174.19 2q4s s PHE 53 N 2.33 3.52 0.02 3.18 0.08 -1.26 -4.68 117.98 121.17 2q4s s PHE 53 Ca 0.16 0.68 0.07 0.00 0.12 0.00 0.00 56.93 57.97 2q4s s PHE 53 Cb -0.16 -2.17 -0.02 0.00 -0.57 0.00 0.00 43.02 40.10 2q4s s PHE 53 CO 0.14 -0.07 -0.22 0.34 -0.10 0.00 0.00 175.22 175.31 2q4s s ASP 54 N -3.82 2.64 0.38 1.36 2.15 -1.26 -5.01 116.67 113.10 2q4s s ASP 54 Ca 0.45 -0.48 0.28 0.00 0.43 0.00 0.00 52.55 53.23 2q4s s ASP 54 Cb -0.10 -0.26 1.23 0.00 -0.30 0.00 0.00 42.92 43.49 2q4s s ASP 54 CO 0.38 0.23 1.83 -0.61 -0.17 0.00 0.00 175.17 176.83 2q4s h GLN 55 N 5.19 0.00 -0.09 4.34 4.15 -2.00 -3.31 115.11 123.39 2q4s h GLN 55 Ca -0.42 0.00 -0.03 0.00 0.77 0.00 0.00 58.65 58.97 2q4s h GLN 55 Cb 1.14 0.00 -0.02 0.00 0.21 0.00 0.00 27.48 28.82 2q4s h GLN 55 CO 0.46 0.00 -0.16 0.66 -1.93 0.00 0.00 178.83 177.86 2q4s n TYR 56 N -2.54 0.30 0.00 3.99 4.01 -1.26 -5.02 117.16 116.64 2q4s n TYR 56 Ca 0.01 -1.21 0.00 0.00 -0.16 0.00 0.00 57.90 56.53 2q4s n TYR 56 Cb 0.21 -0.25 0.00 0.00 -0.31 0.00 0.00 39.34 38.99 2q4s n TYR 56 CO 0.00 0.00 0.00 2.89 -0.46 0.00 0.00 176.86 179.29 2q4s n ARG 57 N -1.16 0.00 -1.59 -0.72 1.85 -1.25 -5.12 116.66 108.67 2q4s n ARG 57 Ca 0.20 0.00 -0.36 0.00 -1.00 0.00 0.00 57.85 56.69 2q4s n ARG 57 Cb 0.75 0.00 0.08 0.00 -1.05 0.00 0.00 32.46 32.24 2q4s n ARG 57 CO 0.00 0.00 0.00 2.48 -0.01 0.00 0.00 177.63 180.10 2q4s n TYR 58 N -1.05 1.59 -4.65 2.89 0.18 -1.26 -4.21 117.16 110.65 2q4s n TYR 58 Ca 0.00 0.42 -0.31 0.00 1.88 0.00 0.00 57.90 59.89 2q4s n TYR 58 Cb 0.00 -2.21 -0.12 0.00 -0.38 0.00 0.00 39.34 36.62 2q4s n TYR 58 CO 0.00 0.00 0.00 0.95 -2.08 0.00 0.00 176.86 175.73 2q4s s THR 59 N -1.55 2.86 -0.17 -3.48 -4.23 0.19 -4.90 115.64 104.36 2q4s s THR 59 Ca 0.80 -1.14 -0.05 0.00 -1.18 0.00 0.00 61.69 60.12 2q4s s THR 59 Cb -0.37 -2.21 -0.03 0.00 1.34 0.00 0.00 72.50 71.24 2q4s s THR 59 CO 0.43 0.35 0.00 -0.13 -0.54 0.00 0.00 174.62 174.73 2q4s s ARG 60 N -1.42 3.77 -0.33 3.99 0.52 -1.26 -0.44 118.95 123.78 2q4s s ARG 60 Ca 0.15 -0.46 -0.01 0.00 -0.52 0.00 0.00 55.73 54.89 2q4s s ARG 60 Cb -0.11 -3.04 0.11 0.00 0.52 0.00 0.00 34.95 32.44 2q4s s ARG 60 CO 0.05 0.23 0.14 -0.80 0.02 0.00 0.00 175.30 174.95 2q4s s ASN 61 N 0.43 3.72 0.28 0.23 -0.87 0.13 0.28 114.94 119.14 2q4s s ASN 61 Ca -0.01 -1.82 -0.30 0.00 -1.57 0.00 0.00 52.86 49.16 2q4s s ASN 61 Cb -0.14 -0.73 -0.11 0.00 -0.02 0.00 0.00 41.25 40.26 2q4s s ASN 61 CO 0.02 -0.38 1.52 -0.22 -2.57 0.00 0.00 177.10 175.47 2q4s s LEU 62 N 1.41 4.36 -0.03 0.60 2.96 -0.74 -0.37 118.68 126.87 2q4s s LEU 62 Ca 0.12 2.83 0.00 0.00 -0.22 0.00 0.00 54.13 56.87 2q4s s LEU 62 Cb -0.19 -3.63 -0.02 0.00 0.50 0.00 0.00 46.19 42.85 2q4s s LEU 62 CO -0.19 -0.82 -0.03 0.52 -1.32 0.00 0.00 176.35 174.52 2q4s n VAL 63 N 2.12 0.17 -3.82 1.68 0.31 -0.53 -0.84 118.33 117.42 2q4s n VAL 63 Ca 0.07 -0.06 -0.13 0.00 -0.01 0.00 0.00 64.34 64.21 2q4s n VAL 63 Cb 0.39 -0.62 -0.13 0.00 -0.91 0.00 0.00 33.84 32.56 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 -4.30 -0.11 -0.17 4.52 2.15 -1.02 -4.60 116.67 113.15 2q4s s ASP 64 Ca -0.04 0.23 0.16 0.00 0.43 0.00 0.00 52.55 53.33 2q4s s ASP 64 Cb 0.01 0.21 0.73 0.00 -0.30 0.00 0.00 42.92 43.57 2q4s s ASP 64 CO 0.07 -0.06 1.65 0.00 -0.17 0.00 0.00 175.17 176.66 2q4s n GLN 65 N 3.22 4.11 -4.28 4.34 6.02 -1.26 -0.81 117.38 128.71 2q4s n GLN 65 Ca -0.15 -2.98 -0.36 0.00 -0.01 0.00 0.00 57.00 53.51 2q4s n GLN 65 Cb 0.58 -2.02 -0.05 0.00 1.02 0.00 0.00 30.24 29.77 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 0.70 -0.37 1.56 1.08 0.00 -1.25 0.94 105.19 107.87 2q4s n GLY 66 Ca 0.26 0.12 -0.05 0.00 0.00 0.00 0.00 46.02 46.35 2q4s n GLY 66 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 2q4s n ASN 67 N -2.68 -1.42 0.00 1.61 4.13 -1.26 0.74 115.26 116.39 2q4s n ASN 67 Ca -0.01 0.17 0.00 0.00 1.68 0.00 0.00 54.58 56.42 2q4s n ASN 67 Cb 0.53 -1.57 0.00 0.00 -1.54 0.00 0.00 39.78 37.20 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 -0.18 0.69 0.11 7.41 0.00 0.27 -4.99 105.19 108.49 2q4s n GLY 68 Ca -0.05 0.00 -0.01 0.00 0.00 0.00 0.00 46.02 45.96 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 2.34 0.00 0.00 1.61 1.79 0.24 -3.43 116.57 119.13 2q4s h LYS 69 Ca 0.00 0.00 -0.19 0.00 -2.18 0.00 0.00 60.65 58.28 2q4s h LYS 69 Cb 0.00 0.00 -0.04 0.00 -1.58 0.00 0.00 32.23 30.61 2q4s h LYS 69 CO 0.00 0.57 -0.02 1.97 -1.08 0.00 0.00 179.45 180.89 2q4s n PHE 70 N -3.17 -1.62 -3.88 -1.35 1.16 -1.26 -4.21 117.46 103.13 2q4s n PHE 70 Ca -0.02 -2.00 -0.30 0.00 -1.87 0.00 0.00 57.45 53.26 2q4s n PHE 70 Cb 0.82 0.60 -0.15 0.00 -1.61 0.00 0.00 39.48 39.14 2q4s n PHE 70 CO 0.00 0.00 0.00 -0.80 -1.87 0.00 0.00 176.76 174.09 2q4s s ASN 71 N -2.94 4.10 0.12 5.98 0.01 0.79 -3.76 114.94 119.24 2q4s s ASN 71 Ca 0.23 -1.58 -0.04 0.00 -0.71 0.00 0.00 52.86 50.76 2q4s s ASN 71 Cb -0.02 -1.15 -0.05 0.00 0.41 0.00 0.00 41.25 40.44 2q4s s ASN 71 CO 0.16 -0.34 0.34 -0.22 -1.51 0.00 0.00 177.10 175.53 2q4s s LEU 72 N 1.37 4.29 -0.06 0.60 2.96 0.01 -2.02 118.68 125.83 2q4s s LEU 72 Ca 0.04 0.52 -0.02 0.00 -0.22 0.00 0.00 54.13 54.45 2q4s s LEU 72 Cb -0.18 -3.22 0.04 0.00 0.50 0.00 0.00 46.19 43.32 2q4s s LEU 72 CO -0.14 0.08 0.12 -0.63 -1.32 0.00 0.00 176.35 174.46 2q4s s ILE 74 N -1.62 -0.10 -0.13 6.68 1.01 0.50 -1.45 121.20 126.09 2q4s s ILE 74 Ca 0.39 0.24 -0.05 0.00 0.00 0.00 0.00 60.65 61.24 2q4s s ILE 74 Cb -0.12 -0.21 -0.04 0.00 0.01 0.00 0.00 42.46 42.10 2q4s s ILE 74 CO 0.25 0.10 0.05 -0.76 0.00 0.00 0.00 174.94 174.58 2q4s s LEU 75 N 1.44 3.83 -0.19 2.97 1.02 0.14 0.18 118.68 128.07 2q4s s LEU 75 Ca -0.06 0.19 0.01 0.00 0.02 0.00 0.00 54.13 54.29 2q4s s LEU 75 Cb -0.12 -1.92 0.03 0.00 0.02 0.00 0.00 46.19 44.20 2q4s s LEU 75 CO -0.05 0.32 -0.16 0.00 0.02 0.00 0.00 176.35 176.48 2q4s s TRP 77 N 1.30 3.47 1.17 0.00 0.52 -0.67 0.54 118.94 125.28 2q4s s TRP 77 Ca 0.01 -2.54 -0.17 0.00 0.02 0.00 0.00 56.10 53.42 2q4s s TRP 77 Cb -0.15 -3.29 0.25 0.00 -1.15 0.00 0.00 33.47 29.14 2q4s s TRP 77 CO -0.10 -0.89 0.55 0.41 0.02 0.00 0.00 176.95 176.94 2q4s n GLY 78 N 3.81 -2.97 3.68 0.98 0.00 -1.26 -2.47 105.19 106.97 2q4s n GLY 78 Ca 0.06 -1.14 -0.49 0.00 0.00 0.00 0.00 46.02 44.44 2q4s n GLY 78 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 2q4s n GLU 79 N -3.28 2.06 -2.60 1.61 4.71 -1.26 -1.75 120.64 120.13 2q4s n GLU 79 Ca 0.09 0.76 -0.12 0.00 -0.01 0.00 0.00 57.16 57.87 2q4s n GLU 79 Cb 0.43 -2.58 0.02 0.00 -1.01 0.00 0.00 31.44 28.30 2q4s n GLU 79 CO 0.00 0.00 0.00 0.41 0.09 0.00 0.00 177.13 177.63 2q4s n GLY 80 N 4.37 0.02 3.52 0.62 0.00 -1.08 -5.01 105.19 107.64 2q4s n GLY 80 Ca 0.23 -0.31 -0.35 0.00 0.00 0.00 0.00 46.02 45.59 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 -2.83 3.11 0.27 1.61 3.76 -0.72 -4.92 115.29 115.57 2q4s s HIS 81 Ca 0.14 -0.23 0.01 0.00 -0.15 0.00 0.00 55.06 54.83 2q4s s HIS 81 Cb -0.06 -2.09 -0.05 0.00 1.11 0.00 0.00 32.58 31.49 2q4s s HIS 81 CO 0.17 -0.09 0.10 0.20 -0.85 0.00 0.00 174.74 174.27 2q4s s GLY 82 N 0.79 1.78 0.61 -2.22 0.00 -1.26 -0.66 107.32 106.36 2q4s s GLY 82 Ca 0.02 -1.88 0.02 0.00 0.00 0.00 0.00 44.72 42.88 2q4s s GLY 82 CO 0.02 -1.61 0.85 -1.35 0.00 0.00 0.00 173.10 171.01 2q4s s SER 83 N -3.33 4.92 0.80 1.64 1.04 0.16 -4.84 113.70 114.10 2q4s s SER 83 Ca 0.38 -0.26 -0.10 0.00 0.48 0.00 0.00 55.95 56.45 2q4s s SER 83 Cb 0.08 -0.41 0.10 0.00 0.10 0.00 0.00 66.02 65.89 2q4s s SER 83 CO 0.14 -1.42 1.15 -0.94 0.98 0.00 0.00 173.24 173.14 2q4s s SER 84 N -4.57 4.32 0.05 7.02 1.04 -1.26 -4.64 113.70 115.67 2q4s s SER 84 Ca 0.61 0.52 -0.30 0.00 0.48 0.00 0.00 55.95 57.26 2q4s s SER 84 Cb -0.08 -0.97 -0.04 0.00 0.10 0.00 0.00 66.02 65.03 2q4s s SER 84 CO 0.40 -1.97 1.01 -0.63 0.98 0.00 0.00 173.24 173.03 2q4s s ILE 85 N -3.51 4.59 0.16 -1.02 1.01 -1.26 -4.45 121.20 116.71 2q4s s ILE 85 Ca 0.64 1.97 -0.16 0.00 0.00 0.00 0.00 60.65 63.09 2q4s s ILE 85 Cb -0.09 -4.26 0.03 0.00 0.01 0.00 0.00 42.46 38.15 2q4s s ILE 85 CO 0.48 0.21 0.46 -1.38 0.00 0.00 0.00 174.94 174.71 2q4s s HIS 86 N 0.61 -0.14 0.53 3.97 -3.43 -0.54 -1.54 115.29 114.75 2q4s s HIS 86 Ca 0.51 -0.19 0.09 0.00 -0.80 0.00 0.00 55.06 54.67 2q4s s HIS 86 Cb -0.23 0.31 0.09 0.00 -1.43 0.00 0.00 32.58 31.31 2q4s s HIS 86 CO 0.29 -0.80 0.71 -0.40 -2.00 0.00 0.00 174.74 172.53 2q4s n ASP 87 N -0.28 1.98 -0.01 7.38 5.68 -1.15 -2.84 116.55 127.30 2q4s n ASP 87 Ca -0.13 -2.43 0.00 0.00 -0.50 0.00 0.00 54.79 51.73 2q4s n ASP 87 Cb 0.63 -0.36 0.01 0.00 -1.14 0.00 0.00 41.12 40.26 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 -2.12 0.00 -2.83 2.11 8.25 -1.26 -4.57 115.22 114.80 2q4s n HIS 88 Ca 0.14 -0.37 -0.11 0.00 -0.26 0.00 0.00 57.72 57.12 2q4s n HIS 88 Cb 0.55 -0.04 0.05 0.00 1.12 0.00 0.00 29.99 31.67 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 -0.39 -4.65 -1.53 1.59 -1.04 -1.26 -2.74 114.28 104.26 2q4s n THR 89 Ca 0.01 -0.50 -0.18 0.00 -2.04 0.00 0.00 64.05 61.33 2q4s n THR 89 Cb 0.35 -4.49 -0.08 0.00 -1.82 0.00 0.00 70.33 64.29 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 -2.45 -5.04 -4.80 8.00 8.00 -1.26 -4.95 116.55 114.04 2q4s n ASP 90 Ca -0.14 0.46 -0.22 0.00 0.71 0.00 0.00 54.79 55.59 2q4s n ASP 90 Cb 0.60 -4.44 0.09 0.00 -0.02 0.00 0.00 41.12 37.35 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 -2.59 4.65 -0.12 -2.24 0.01 -1.11 -4.81 113.70 107.50 2q4s s SER 91 Ca 0.00 -0.43 -0.05 0.00 1.31 0.00 0.00 55.95 56.78 2q4s s SER 91 Cb 0.00 -0.06 -0.04 0.00 0.21 0.00 0.00 66.02 66.13 2q4s s SER 91 CO 0.00 -1.64 0.06 -1.00 0.41 0.00 0.00 173.24 171.07 2q4s s HIS 92 N -2.97 3.33 -0.10 2.43 3.76 -0.59 -4.41 115.29 116.73 2q4s s HIS 92 Ca 0.64 0.28 0.01 0.00 -0.15 0.00 0.00 55.06 55.84 2q4s s HIS 92 Cb -0.06 -1.90 0.02 0.00 1.11 0.00 0.00 32.58 31.75 2q4s s HIS 92 CO 0.42 0.50 -0.11 0.00 -0.85 0.00 0.00 174.74 174.70 2q4s s PHE 94 N 1.31 2.06 -0.15 0.00 0.08 -0.25 -0.89 117.98 120.13 2q4s s PHE 94 Ca -0.02 -1.08 0.01 0.00 0.12 0.00 0.00 56.93 55.97 2q4s s PHE 94 Cb -0.14 -1.51 0.02 0.00 -0.57 0.00 0.00 43.02 40.82 2q4s s PHE 94 CO -0.05 -0.58 -0.18 -1.17 -0.10 0.00 0.00 175.22 173.14 2q4s s LEU 95 N 1.28 1.92 -0.08 -0.37 0.20 -0.66 -0.76 118.68 120.20 2q4s s LEU 95 Ca -0.00 -0.55 0.04 0.00 0.69 0.00 0.00 54.13 54.31 2q4s s LEU 95 Cb -0.14 -1.32 -0.01 0.00 -0.43 0.00 0.00 46.19 44.30 2q4s s LEU 95 CO -0.07 0.00 -0.23 -0.75 -0.29 0.00 0.00 176.35 175.02 2q4s s LYS 96 N 1.21 2.86 0.18 1.98 2.20 0.17 0.07 119.74 128.40 2q4s s LYS 96 Ca 0.01 -0.86 -0.30 0.00 -0.36 0.00 0.00 55.97 54.46 2q4s s LYS 96 Cb -0.14 -2.28 -0.07 0.00 -1.51 0.00 0.00 37.83 33.82 2q4s s LYS 96 CO -0.08 0.29 1.00 -0.51 -0.36 0.00 0.00 175.35 175.68 2q4s s LEU 97 N 0.08 4.55 -0.09 5.43 2.01 -0.06 0.79 118.68 131.39 2q4s s LEU 97 Ca -0.10 1.94 0.12 0.00 0.01 0.00 0.00 54.13 56.10 2q4s s LEU 97 Cb -0.16 -3.60 -0.18 0.00 0.01 0.00 0.00 46.19 42.26 2q4s s LEU 97 CO 0.06 -0.04 0.14 0.18 1.01 0.00 0.00 176.35 177.70 2q4s n LEU 98 N 2.19 0.00 -3.66 1.79 4.77 0.29 -1.13 117.00 121.25 2q4s n LEU 98 Ca 0.01 0.00 -0.14 0.00 -0.03 0.00 0.00 56.01 55.85 2q4s n LEU 98 Cb 0.47 0.20 -0.08 0.00 -2.33 0.00 0.00 43.42 41.68 2q4s n LEU 98 CO 0.52 0.20 0.32 -1.58 -1.33 0.00 0.00 177.39 175.51 2q4s s GLN 99 N -2.55 0.75 2.49 3.23 0.74 -0.45 -4.81 119.66 119.06 2q4s s GLN 99 Ca -0.06 0.83 0.00 0.00 0.05 0.00 0.00 55.36 56.18 2q4s s GLN 99 Cb 0.06 0.36 0.00 0.00 1.10 0.00 0.00 33.01 34.53 2q4s s GLN 99 CO 0.54 -0.10 0.00 0.41 -0.55 0.00 0.00 175.29 175.59 2q4s n GLY 100 N 2.64 -0.56 3.16 2.59 0.00 -1.26 -1.44 105.19 110.32 2q4s n GLY 100 Ca -0.14 -1.12 -0.13 0.00 0.00 0.00 0.00 46.02 44.64 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 1.24 -0.01 1.61 0.01 -1.26 -3.01 114.94 109.51 2q4s s ASN 101 Ca 0.00 -0.85 0.01 0.00 -0.71 0.00 0.00 52.86 51.31 2q4s s ASN 101 Cb 0.00 0.05 0.01 0.00 0.41 0.00 0.00 41.25 41.71 2q4s s ASN 101 CO 0.00 -0.33 -0.01 -0.76 -1.51 0.00 0.00 177.10 174.48 2q4s s LEU 102 N -2.55 1.76 0.16 0.60 1.43 -0.40 -4.71 118.68 114.97 2q4s s LEU 102 Ca 0.06 -0.03 -0.06 0.00 -1.03 0.00 0.00 54.13 53.07 2q4s s LEU 102 Cb -0.01 -0.13 -0.06 0.00 0.03 0.00 0.00 46.19 46.02 2q4s s LEU 102 CO -0.02 -0.01 0.41 -0.75 0.23 0.00 0.00 176.35 176.21 2q4s s LYS 103 N 0.26 3.66 -0.07 1.70 2.20 -1.18 -0.08 119.74 126.22 2q4s s LYS 103 Ca -0.02 -0.01 0.01 0.00 -0.36 0.00 0.00 55.97 55.59 2q4s s LYS 103 Cb -0.04 -2.81 0.02 0.00 -1.51 0.00 0.00 37.83 33.48 2q4s s LYS 103 CO -0.01 0.44 -0.09 -2.00 -0.36 0.00 0.00 175.35 173.34 2q4s s GLU 104 N -2.66 1.39 -0.22 4.03 2.12 -0.21 -2.00 118.70 121.15 2q4s s GLU 104 Ca 0.42 -0.28 -0.08 0.00 0.36 0.00 0.00 54.97 55.39 2q4s s GLU 104 Cb -0.12 -1.26 -0.04 0.00 0.26 0.00 0.00 34.13 32.98 2q4s s GLU 104 CO 0.24 -0.06 0.08 0.99 -0.54 0.00 0.00 175.26 175.96 2q4s s THR 105 N 0.94 4.61 -0.10 -1.70 2.01 0.16 -2.98 115.64 118.57 2q4s s THR 105 Ca -0.10 -0.08 -0.13 0.00 0.31 0.00 0.00 61.69 61.69 2q4s s THR 105 Cb -0.15 -3.12 -0.05 0.00 0.01 0.00 0.00 72.50 69.19 2q4s s THR 105 CO 0.01 0.38 0.29 -0.76 -0.69 0.00 0.00 174.62 173.85 2q4s s LEU 106 N 1.08 4.34 0.10 4.42 1.43 -0.61 0.09 118.68 129.54 2q4s s LEU 106 Ca 0.04 0.64 0.03 0.00 -1.03 0.00 0.00 54.13 53.81 2q4s s LEU 106 Cb -0.14 -2.37 -0.04 0.00 0.03 0.00 0.00 46.19 43.67 2q4s s LEU 106 CO 0.03 0.23 -0.09 -0.36 0.23 0.00 0.00 176.35 176.40 2q4s s PHE 107 N -0.32 1.01 0.25 0.29 0.08 -0.01 -0.21 117.98 119.06 2q4s s PHE 107 Ca 0.18 -0.77 -0.03 0.00 0.12 0.00 0.00 56.93 56.44 2q4s s PHE 107 Cb -0.14 -0.55 -0.05 0.00 -0.57 0.00 0.00 43.02 41.71 2q4s s PHE 107 CO 0.07 -0.05 0.48 -0.51 -0.10 0.00 0.00 175.22 175.10 2q4s s ASP 108 N -2.77 6.42 0.25 1.36 1.01 -1.26 -0.95 116.67 120.73 2q4s s ASP 108 Ca 0.09 0.57 -0.30 0.00 0.71 0.00 0.00 52.55 53.62 2q4s s ASP 108 Cb 0.01 -2.08 -0.11 0.00 1.01 0.00 0.00 42.92 41.75 2q4s s ASP 108 CO -0.02 -0.12 1.56 0.26 0.21 0.00 0.00 175.17 177.06 2q4s s TRP 109 N -1.98 2.90 0.75 4.23 0.52 -1.26 -4.82 118.94 119.29 2q4s s TRP 109 Ca 0.41 0.78 -0.13 0.00 0.02 0.00 0.00 56.10 57.19 2q4s s TRP 109 Cb -0.11 -3.98 0.19 0.00 -1.15 0.00 0.00 33.47 28.42 2q4s s TRP 109 CO 0.29 -3.36 0.60 -2.30 0.02 0.00 0.00 176.95 172.20 2q4s n PRO 110 N 2.70 -2.67 0.00 4.98 -0.02 -1.26 -5.09 135.00 133.64 2q4s n PRO 110 Ca 0.09 -0.97 0.00 0.00 -2.02 0.00 0.00 63.50 60.61 2q4s n PRO 110 Cb 0.38 -0.99 0.00 0.00 -0.02 0.00 0.00 33.50 32.87 2q4s n PRO 110 CO 0.00 0.00 0.00 -0.25 1.98 0.00 0.00 175.50 177.23 2q4s n ASP 111 N -4.25 0.00 0.00 2.55 8.00 -1.26 -5.08 116.55 116.51 2q4s n ASP 111 Ca 0.09 0.00 0.00 0.00 0.71 0.00 0.00 54.79 55.59 2q4s n ASP 111 Cb 0.34 0.00 0.00 0.00 -0.02 0.00 0.00 41.12 41.44 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 0.00 1.66 0.00 -1.24 4.76 -1.26 -5.06 118.16 117.02 2q4s n LYS 112 Ca 0.00 0.00 0.00 0.00 -2.87 0.00 0.00 58.31 55.44 2q4s n LYS 112 Cb 0.00 -0.14 0.00 0.00 -1.84 0.00 0.00 35.03 33.05 2q4s n LYS 112 CO 0.00 0.00 0.00 1.63 -1.37 0.00 0.00 177.40 177.66 2q4s n LYS 113 N 0.00 0.00 0.00 1.97 4.76 -1.26 -5.00 118.16 118.63 2q4s n LYS 113 Ca 0.00 0.00 0.00 0.00 -2.87 0.00 0.00 58.31 55.44 2q4s n LYS 113 Cb 0.00 0.00 0.00 0.00 -1.84 0.00 0.00 35.03 33.19 2q4s n LYS 113 CO 0.00 0.00 0.00 0.45 -1.37 0.00 0.00 177.40 176.48 2q4s n SER 114 N 0.00 0.00 -4.91 4.39 2.88 -1.26 -4.97 113.62 109.75 2q4s n SER 114 Ca 0.00 0.00 -0.27 0.00 -1.33 0.00 0.00 58.87 57.27 2q4s n SER 114 Cb 0.00 0.00 0.02 0.00 -0.75 0.00 0.00 64.21 63.48 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 0.00 5.81 0.00 -3.46 0.01 -1.12 -4.42 114.94 111.76 2q4s s ASN 115 Ca 0.00 0.78 0.00 0.00 -0.71 0.00 0.00 52.86 52.93 2q4s s ASN 115 Cb 0.00 -1.88 0.00 0.00 0.41 0.00 0.00 41.25 39.78 2q4s s ASN 115 CO 0.00 -0.91 0.00 1.21 -1.51 0.00 0.00 177.10 175.89 2q4s n GLU 116 N -2.48 1.10 -3.66 -0.60 4.07 -1.04 -3.21 120.64 114.82 2q4s n GLU 116 Ca 0.03 0.00 -0.09 0.00 -0.06 0.00 0.00 57.16 57.04 2q4s n GLU 116 Cb 0.57 0.00 -0.08 0.00 -0.06 0.00 0.00 31.44 31.87 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 -0.01 0.60 6.31 -1.09 -1.26 -5.01 121.20 120.74 2q4s s ILE 118 Ca 0.00 0.02 -0.19 0.00 -2.23 0.00 0.00 60.65 58.25 2q4s s ILE 118 Cb 0.00 -0.89 -0.04 0.00 -1.58 0.00 0.00 42.46 39.95 2q4s s ILE 118 CO 0.00 0.01 1.15 2.29 -1.23 0.00 0.00 174.94 177.16 2q4s n LYS 119 N 4.02 1.15 0.01 2.79 2.85 -1.26 -4.73 118.16 122.99 2q4s n LYS 119 Ca -0.20 0.44 0.11 0.00 -1.05 0.00 0.00 58.31 57.61 2q4s n LYS 119 Cb 0.58 -2.36 -0.12 0.00 -0.65 0.00 0.00 35.03 32.47 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 -1.24 0.56 -3.59 -1.58 2.85 0.70 -5.00 118.16 110.86 2q4s n LYS 120 Ca 0.13 -0.12 0.02 0.00 -1.05 0.00 0.00 58.31 57.30 2q4s n LYS 120 Cb 0.47 -1.57 -0.01 0.00 -0.65 0.00 0.00 35.03 33.27 2q4s n LYS 120 CO 0.00 0.00 0.00 -1.54 -0.05 0.00 0.00 177.40 175.81 2q4s s SER 121 N -4.45 -0.00 0.05 -5.58 1.04 -1.25 -5.02 113.70 98.49 2q4s s SER 121 Ca -0.04 -0.00 -0.17 0.00 0.48 0.00 0.00 55.95 56.21 2q4s s SER 121 Cb 0.14 0.00 0.03 0.00 0.10 0.00 0.00 66.02 66.29 2q4s s SER 121 CO 0.88 -0.00 0.39 -1.83 0.98 0.00 0.00 173.24 173.66 2q4s s GLU 122 N -2.01 0.91 0.14 4.02 -1.05 -1.26 -1.58 118.70 117.87 2q4s s GLU 122 Ca 0.14 -0.41 -0.14 0.00 -0.15 0.00 0.00 54.97 54.41 2q4s s GLU 122 Cb 0.05 0.40 0.02 0.00 -0.44 0.00 0.00 34.13 34.16 2q4s s GLU 122 CO -0.05 -0.31 0.36 -0.98 0.95 0.00 0.00 175.26 175.23 2q4s s ARG 123 N -2.57 1.09 -0.31 -4.83 1.70 -1.16 -5.00 118.95 107.88 2q4s s ARG 123 Ca -0.05 -0.86 -0.03 0.00 -0.47 0.00 0.00 55.73 54.33 2q4s s ARG 123 Cb -0.01 0.44 0.05 0.00 -0.57 0.00 0.00 34.95 34.86 2q4s s ARG 123 CO -0.03 -0.42 0.02 0.99 -1.08 0.00 0.00 175.30 174.78 2q4s s THR 124 N -3.85 3.13 0.15 4.99 2.01 -1.26 -1.04 115.64 119.76 2q4s s THR 124 Ca 0.07 -1.35 -0.27 0.00 0.31 0.00 0.00 61.69 60.45 2q4s s THR 124 Cb 0.02 -2.79 -0.07 0.00 0.01 0.00 0.00 72.50 69.66 2q4s s THR 124 CO -0.08 -0.12 0.83 -0.76 -0.69 0.00 0.00 174.62 173.80 2q4s s LEU 125 N 1.28 4.57 0.49 4.42 1.43 0.88 -4.92 118.68 126.83 2q4s s LEU 125 Ca -0.05 1.69 0.03 0.00 -1.03 0.00 0.00 54.13 54.78 2q4s s LEU 125 Cb -0.20 -3.39 -0.02 0.00 0.03 0.00 0.00 46.19 42.61 2q4s s LEU 125 CO -0.00 0.13 0.06 -0.13 0.23 0.00 0.00 176.35 176.63 2q4s s ARG 126 N -0.81 2.17 0.18 1.70 0.52 -1.26 -1.28 118.95 120.17 2q4s s ARG 126 Ca 0.39 -2.29 -0.33 0.00 -0.52 0.00 0.00 55.73 52.98 2q4s s ARG 126 Cb -0.23 -1.63 -0.15 0.00 0.52 0.00 0.00 34.95 33.45 2q4s s ARG 126 CO 0.27 -0.33 1.21 0.39 0.02 0.00 0.00 175.30 176.87 2q4s n GLU 127 N -1.27 1.32 -0.38 3.54 1.02 -1.16 -2.20 120.64 121.50 2q4s n GLU 127 Ca -0.14 0.47 0.00 0.00 -0.02 0.00 0.00 57.16 57.47 2q4s n GLU 127 Cb 0.67 -2.00 0.00 0.00 -0.02 0.00 0.00 31.44 30.09 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 2.06 0.00 -4.83 1.62 3.02 -0.28 -4.97 115.26 111.88 2q4s n ASN 128 Ca 0.15 0.00 -0.33 0.00 -0.03 0.00 0.00 54.58 54.37 2q4s n ASN 128 Cb 0.26 -0.70 -0.06 0.00 -0.61 0.00 0.00 39.78 38.67 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 -0.16 4.11 0.12 3.52 0.74 -0.93 -4.53 119.66 122.52 2q4s s GLN 129 Ca 0.00 0.92 0.10 0.00 0.05 0.00 0.00 55.36 56.43 2q4s s GLN 129 Cb 0.00 -2.27 -0.04 0.00 1.10 0.00 0.00 33.01 31.80 2q4s s GLN 129 CO 0.00 0.01 -0.25 0.00 -0.55 0.00 0.00 175.29 174.50 2q4s s ALA 131 N -1.07 3.08 -0.00 0.00 0.00 0.11 -4.97 121.76 118.91 2q4s s ALA 131 Ca 0.12 -1.97 -0.00 0.00 0.00 0.00 0.00 51.96 50.11 2q4s s ALA 131 Cb -0.10 -0.29 0.00 0.00 0.00 0.00 0.00 23.12 22.73 2q4s s ALA 131 CO 0.05 0.11 0.01 -0.47 0.00 0.00 0.00 175.76 175.46 2q4s s TYR 132 N -2.53 -0.00 0.03 0.00 6.14 -1.26 -1.65 117.35 118.07 2q4s s TYR 132 Ca 0.33 0.02 -0.17 0.00 0.64 0.00 0.00 57.07 57.89 2q4s s TYR 132 Cb -0.00 -0.01 0.03 0.00 0.42 0.00 0.00 41.96 42.39 2q4s s TYR 132 CO 0.18 -0.01 0.38 -1.50 0.64 0.00 0.00 175.55 175.25 2q4s s ILE 133 N 0.08 0.06 0.28 3.14 2.07 -0.07 -5.02 121.20 121.73 2q4s s ILE 133 Ca -0.01 -0.49 -0.07 0.00 -1.41 0.00 0.00 60.65 58.67 2q4s s ILE 133 Cb -0.01 -0.90 -0.01 0.00 0.13 0.00 0.00 42.46 41.67 2q4s s ILE 133 CO -0.00 -0.27 0.42 0.54 -1.91 0.00 0.00 174.94 173.71 2q4s s ASN 134 N -1.88 0.33 0.55 4.50 2.20 -1.26 -1.19 114.94 118.19 2q4s s ASN 134 Ca -0.07 -1.22 0.31 0.00 -0.94 0.00 0.00 52.86 50.94 2q4s s ASN 134 Cb -0.01 0.58 1.59 0.00 -2.00 0.00 0.00 41.25 41.41 2q4s s ASN 134 CO -0.01 -1.15 2.11 0.44 -2.94 0.00 0.00 177.10 175.55 2q4s h ASP 135 N 2.26 0.00 0.81 3.54 3.32 -1.77 -1.72 116.42 122.85 2q4s h ASP 135 Ca -0.29 0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.76 2q4s h ASP 135 Cb 1.25 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.80 2q4s h ASP 135 CO 0.40 0.08 0.00 -1.20 -1.72 0.00 0.00 179.24 176.80 2q4s n SER 136 N -3.51 0.00 -0.06 6.45 7.64 -1.26 -3.14 113.62 119.74 2q4s n SER 136 Ca -0.02 0.28 -0.06 0.00 1.01 0.00 0.00 58.87 60.08 2q4s n SER 136 Cb 0.22 -0.42 -0.15 0.00 -1.01 0.00 0.00 64.21 62.84 2q4s n SER 136 CO 0.00 0.00 0.00 -0.38 -3.01 0.00 0.00 175.04 171.65 2q4s n ILE 137 N -1.42 1.23 0.00 0.44 5.41 -0.66 -5.10 119.36 119.25 2q4s n ILE 137 Ca 0.09 -0.78 0.00 0.00 1.00 0.00 0.00 62.75 63.06 2q4s n ILE 137 Cb 0.29 -0.53 0.00 0.00 -0.71 0.00 0.00 39.64 38.69 2q4s n ILE 137 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 176.55 177.16 2q4s n GLY 138 N 1.62 0.88 3.69 7.39 0.00 -1.12 -4.99 105.19 112.65 2q4s n GLY 138 Ca -0.24 -1.97 -0.23 0.00 0.00 0.00 0.00 46.02 43.58 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 3.37 0.23 0.99 1.43 -0.12 -4.42 118.68 120.14 2q4s s LEU 139 Ca 0.00 -0.52 -0.08 0.00 -1.03 0.00 0.00 54.13 52.50 2q4s s LEU 139 Cb 0.00 -1.90 -0.02 0.00 0.03 0.00 0.00 46.19 44.30 2q4s s LEU 139 CO 0.00 -0.00 0.34 -1.38 0.23 0.00 0.00 176.35 175.54 2q4s s HIS 140 N -2.22 0.67 0.14 0.29 -3.43 -1.13 -0.83 115.29 108.78 2q4s s HIS 140 Ca 0.31 -0.98 0.09 0.00 -0.80 0.00 0.00 55.06 53.69 2q4s s HIS 140 Cb -0.07 -0.11 -0.04 0.00 -1.43 0.00 0.00 32.58 30.94 2q4s s HIS 140 CO 0.21 -0.85 -0.21 0.50 -2.00 0.00 0.00 174.74 172.40 2q4s s ARG 141 N -4.07 1.25 -0.11 -0.38 3.52 0.11 -1.47 118.95 117.80 2q4s s ARG 141 Ca 0.29 -1.32 -0.03 0.00 -0.13 0.00 0.00 55.73 54.54 2q4s s ARG 141 Cb 0.02 -1.45 0.04 0.00 -1.56 0.00 0.00 34.95 32.00 2q4s s ARG 141 CO 0.10 0.32 0.04 0.08 -0.81 0.00 0.00 175.30 175.03 2q4s s VAL 142 N -1.60 0.19 -0.08 7.11 1.01 -1.26 -0.67 120.40 125.11 2q4s s VAL 142 Ca 0.13 -0.01 -0.01 0.00 0.00 0.00 0.00 61.98 62.08 2q4s s VAL 142 Cb -0.08 -0.56 0.03 0.00 0.00 0.00 0.00 36.38 35.77 2q4s s VAL 142 CO 0.06 0.02 -0.00 -1.83 0.00 0.00 0.00 175.10 173.35 2q4s s GLU 143 N 2.03 0.66 -0.44 2.72 -1.05 -0.85 0.40 118.70 122.17 2q4s s GLU 143 Ca 0.03 0.06 -0.27 0.00 -0.15 0.00 0.00 54.97 54.64 2q4s s GLU 143 Cb -0.14 -1.07 -0.03 0.00 -0.44 0.00 0.00 34.13 32.46 2q4s s GLU 143 CO -0.06 -0.32 1.91 1.21 0.95 0.00 0.00 175.26 178.95 2q4s s ASN 144 N 1.95 5.48 0.00 0.83 2.47 0.16 -3.12 114.94 122.72 2q4s s ASN 144 Ca 0.05 0.97 0.29 0.00 0.42 0.00 0.00 52.86 54.58 2q4s s ASN 144 Cb -0.12 -2.52 1.21 0.00 -1.45 0.00 0.00 41.25 38.36 2q4s s ASN 144 CO -0.06 -2.09 1.83 1.33 -3.72 0.00 0.00 177.10 174.39 2q4s n VAL 145 N 7.43 0.00 -2.20 -5.21 0.24 -1.26 -2.93 118.33 114.39 2q4s n VAL 145 Ca 0.24 -0.20 -0.39 0.00 -2.04 0.00 0.00 64.34 61.95 2q4s n VAL 145 Cb 0.49 0.32 -0.01 0.00 -1.47 0.00 0.00 33.84 33.17 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 -2.00 6.42 0.05 -1.34 0.15 -1.26 -4.80 113.70 110.93 2q4s s SER 146 Ca 0.40 2.46 0.24 0.00 0.70 0.00 0.00 55.95 59.74 2q4s s SER 146 Cb 0.21 -2.62 0.25 0.00 -1.71 0.00 0.00 66.02 62.15 2q4s s SER 146 CO 0.34 -0.75 1.22 1.41 1.20 0.00 0.00 173.24 176.66 2q4s n HIS 147 N 0.07 0.27 0.00 3.44 8.25 -1.26 -2.63 115.22 123.35 2q4s n HIS 147 Ca 0.04 0.08 0.00 0.00 -0.26 0.00 0.00 57.72 57.58 2q4s n HIS 147 Cb 0.45 -0.43 0.00 0.00 1.12 0.00 0.00 29.99 31.13 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 -1.86 0.00 -3.20 1.59 -2.24 -1.26 -4.94 114.28 102.37 2q4s n THR 148 Ca 0.03 0.00 -0.39 0.00 -2.27 0.00 0.00 64.05 61.43 2q4s n THR 148 Cb 0.40 -0.56 -0.06 0.00 -2.10 0.00 0.00 70.33 68.02 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 0.00 4.31 0.85 -0.78 0.41 -1.26 -4.75 118.70 117.48 2q4s s GLU 149 Ca 0.00 0.76 -0.11 0.00 -0.41 0.00 0.00 54.97 55.21 2q4s s GLU 149 Cb 0.00 -3.32 0.11 0.00 -1.78 0.00 0.00 34.13 29.14 2q4s s GLU 149 CO 0.00 0.41 1.14 -1.25 -0.49 0.00 0.00 175.26 175.07 2q4s s PRO 150 N -0.35 1.48 0.14 0.39 0.04 -1.26 -4.81 135.00 130.63 2q4s s PRO 150 Ca 0.31 1.47 0.09 0.00 0.04 0.00 0.00 61.00 62.91 2q4s s PRO 150 Cb -0.19 -1.79 -0.04 0.00 0.04 0.00 0.00 34.50 32.53 2q4s s PRO 150 CO 0.18 -2.27 -0.15 0.00 0.04 0.00 0.00 177.00 174.80 2q4s s ALA 151 N -2.65 2.79 -0.04 8.56 0.00 -1.03 -4.48 121.76 124.91 2q4s s ALA 151 Ca 0.66 -1.40 0.03 0.00 0.00 0.00 0.00 51.96 51.24 2q4s s ALA 151 Cb -0.22 -0.68 0.01 0.00 0.00 0.00 0.00 23.12 22.23 2q4s s ALA 151 CO 0.56 0.55 -0.11 0.08 0.00 0.00 0.00 175.76 176.84 2q4s s VAL 152 N -1.38 0.93 0.02 0.00 1.01 -0.52 -1.66 120.40 118.81 2q4s s VAL 152 Ca 0.21 -0.42 0.02 0.00 0.00 0.00 0.00 61.98 61.79 2q4s s VAL 152 Cb -0.10 -0.84 -0.02 0.00 0.00 0.00 0.00 36.38 35.43 2q4s s VAL 152 CO 0.12 0.29 -0.06 -0.94 0.00 0.00 0.00 175.10 174.52 2q4s s SER 153 N 0.34 0.63 -0.12 3.32 1.04 -0.52 -0.55 113.70 117.84 2q4s s SER 153 Ca -0.07 -0.38 -0.12 0.00 0.48 0.00 0.00 55.95 55.87 2q4s s SER 153 Cb -0.11 0.02 -0.05 0.00 0.10 0.00 0.00 66.02 65.98 2q4s s SER 153 CO 0.01 -0.14 0.25 -0.22 0.98 0.00 0.00 173.24 174.13 2q4s s LEU 154 N -1.07 4.33 -0.03 2.42 2.96 0.24 -0.68 118.68 126.84 2q4s s LEU 154 Ca -0.07 0.55 0.03 0.00 -0.22 0.00 0.00 54.13 54.41 2q4s s LEU 154 Cb -0.07 -2.29 0.00 0.00 0.50 0.00 0.00 46.19 44.33 2q4s s LEU 154 CO -0.00 0.24 -0.11 -1.00 -1.32 0.00 0.00 176.35 174.17 2q4s s HIS 155 N -0.27 1.09 -0.07 5.38 3.76 -1.26 0.43 115.29 124.35 2q4s s HIS 155 Ca 0.16 -0.28 0.03 0.00 -0.15 0.00 0.00 55.06 54.82 2q4s s HIS 155 Cb -0.13 -0.76 0.01 0.00 1.11 0.00 0.00 32.58 32.80 2q4s s HIS 155 CO 0.05 -0.11 -0.15 -1.17 -0.85 0.00 0.00 174.74 172.51 2q4s s LEU 156 N 0.13 1.76 -0.06 0.89 0.20 0.06 -4.23 118.68 117.43 2q4s s LEU 156 Ca -0.03 -0.36 0.01 0.00 0.69 0.00 0.00 54.13 54.44 2q4s s LEU 156 Cb -0.09 -0.97 0.02 0.00 -0.43 0.00 0.00 46.19 44.73 2q4s s LEU 156 CO 0.01 0.07 -0.05 -0.31 -0.29 0.00 0.00 176.35 175.78 2q4s s TYR 157 N 0.55 0.87 -0.09 5.38 2.02 -0.86 -1.10 117.35 124.14 2q4s s TYR 157 Ca -0.15 -0.28 -0.04 0.00 -0.37 0.00 0.00 57.07 56.23 2q4s s TYR 157 Cb -0.16 -0.78 0.04 0.00 -0.40 0.00 0.00 41.96 40.67 2q4s s TYR 157 CO 0.05 -0.25 0.20 0.45 -1.57 0.00 0.00 175.55 174.43 2q4s s SER 158 N 1.12 -0.10 0.84 2.29 0.15 -1.07 -0.15 113.70 116.79 2q4s s SER 158 Ca -0.08 0.41 -0.11 0.00 0.70 0.00 0.00 55.95 56.88 2q4s s SER 158 Cb -0.14 0.31 0.10 0.00 -1.71 0.00 0.00 66.02 64.58 2q4s s SER 158 CO -0.01 -0.17 1.10 -2.84 1.20 0.00 0.00 173.24 172.52 2q4s s PRO 159 N 1.35 1.68 0.55 5.44 0.02 -1.26 -1.54 135.00 141.24 2q4s s PRO 159 Ca -0.08 1.08 -0.20 0.00 0.02 0.00 0.00 61.00 61.82 2q4s s PRO 159 Cb -0.11 -1.84 -0.06 0.00 0.02 0.00 0.00 34.50 32.51 2q4s s PRO 159 CO -0.07 -2.02 1.06 -2.30 -0.33 0.00 0.00 177.00 173.34 2q4s n PRO 160 N -3.77 1.17 -3.73 5.54 -0.02 -1.23 -4.78 135.00 128.17 2q4s n PRO 160 Ca 0.08 0.44 -0.12 0.00 -2.02 0.00 0.00 63.50 61.88 2q4s n PRO 160 Cb 0.54 -2.24 -0.11 0.00 -0.02 0.00 0.00 33.50 31.67 2q4s n PRO 160 CO 0.00 0.00 0.00 -0.59 1.98 0.00 0.00 175.50 176.89 2q4s s PHE 161 N -1.42 -0.44 -0.30 6.00 -0.12 -1.26 -5.02 117.98 115.43 2q4s s PHE 161 Ca 0.72 1.01 0.04 0.00 -0.05 0.00 0.00 56.93 58.65 2q4s s PHE 161 Cb -0.44 0.15 0.11 0.00 -0.63 0.00 0.00 43.02 42.21 2q4s s PHE 161 CO 0.49 -0.24 1.09 -0.40 -0.05 0.00 0.00 175.22 176.11 2q4s n ASP 162 N 3.57 2.32 -4.07 1.98 5.68 -1.26 -4.99 116.55 119.78 2q4s n ASP 162 Ca -0.19 -2.03 -0.15 0.00 -0.50 0.00 0.00 54.79 51.92 2q4s n ASP 162 Cb 0.56 -0.09 -0.12 0.00 -1.14 0.00 0.00 41.12 40.33 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 -1.05 0.68 0.13 2.12 -4.23 -1.26 -4.55 115.64 107.48 2q4s s THR 163 Ca 0.08 -0.99 -0.05 0.00 -1.18 0.00 0.00 61.69 59.56 2q4s s THR 163 Cb 0.05 -0.69 0.02 0.00 1.34 0.00 0.00 72.50 73.21 2q4s s THR 163 CO 0.05 -0.24 0.26 0.00 -0.54 0.00 0.00 174.62 174.15 2q4s s HIS 165 N -6.38 2.55 -0.09 0.00 3.76 -1.26 -0.72 115.29 113.14 2q4s s HIS 165 Ca 0.06 -0.26 0.01 0.00 -0.15 0.00 0.00 55.06 54.72 2q4s s HIS 165 Cb -0.02 -1.43 -0.02 0.00 1.11 0.00 0.00 32.58 32.22 2q4s s HIS 165 CO 0.04 0.28 -0.11 0.00 -0.85 0.00 0.00 174.74 174.11 2q4s s ALA 166 N -0.98 2.77 0.12 -1.40 0.00 -0.32 -2.93 121.76 119.03 2q4s s ALA 166 Ca 0.15 -0.91 0.03 0.00 0.00 0.00 0.00 51.96 51.23 2q4s s ALA 166 Cb -0.10 -1.19 -0.04 0.00 0.00 0.00 0.00 23.12 21.79 2q4s s ALA 166 CO 0.06 0.42 0.20 -0.06 0.00 0.00 0.00 175.76 176.38 2q4s s PHE 167 N -0.26 3.36 -0.41 0.00 0.08 -0.59 -1.45 117.98 118.71 2q4s s PHE 167 Ca 0.02 0.11 -0.20 0.00 0.12 0.00 0.00 56.93 56.98 2q4s s PHE 167 Cb -0.13 -1.64 0.02 0.00 -0.57 0.00 0.00 43.02 40.70 2q4s s PHE 167 CO 0.03 0.53 0.61 0.34 -0.10 0.00 0.00 175.22 176.64 2q4s s ASP 168 N -2.90 6.33 0.06 1.36 2.15 -0.39 -4.43 116.67 118.85 2q4s s ASP 168 Ca 0.33 -0.25 -0.33 0.00 0.43 0.00 0.00 52.55 52.73 2q4s s ASP 168 Cb -0.11 -2.31 -0.18 0.00 -0.30 0.00 0.00 42.92 40.02 2q4s s ASP 168 CO 0.26 -0.70 1.50 -0.61 -0.17 0.00 0.00 175.17 175.45 2q4s h GLN 169 N 8.75 -1.07 -1.47 4.34 4.15 -1.94 1.01 115.11 128.88 2q4s h GLN 169 Ca -0.26 0.07 0.43 0.00 0.77 0.00 0.00 58.65 59.66 2q4s h GLN 169 Cb 1.10 0.24 -0.06 0.00 0.21 0.00 0.00 27.48 28.98 2q4s h GLN 169 CO 0.86 -0.72 1.15 0.00 -1.93 0.00 0.00 178.83 178.20 2q4s h ARG 170 N -1.11 0.00 0.00 1.69 3.08 -1.94 -3.36 114.38 112.74 2q4s h ARG 170 Ca -0.10 0.00 0.00 0.00 0.07 0.00 0.00 59.98 59.95 2q4s h ARG 170 Cb 0.88 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.93 2q4s h ARG 170 CO 0.12 0.00 -0.09 0.25 -1.07 0.00 0.00 179.97 179.18 2q4s n THR 171 N -3.87 0.78 0.00 2.04 -2.24 -0.94 -2.50 114.28 107.55 2q4s n THR 171 Ca 0.32 0.26 0.00 0.00 -2.27 0.00 0.00 64.05 62.36 2q4s n THR 171 Cb 1.60 -1.28 0.00 0.00 -2.10 0.00 0.00 70.33 68.55 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 2.90 0.91 3.73 3.38 0.00 0.35 -2.78 105.19 113.67 2q4s n GLY 172 Ca 0.00 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.60 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 0.00 2.74 -4.90 1.61 -0.00 -1.26 -4.53 115.22 108.88 2q4s n HIS 173 Ca 0.00 0.20 -0.33 0.00 -0.00 0.00 0.00 57.72 57.59 2q4s n HIS 173 Cb 0.00 -2.61 -0.13 0.00 -0.00 0.00 0.00 29.99 27.25 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 0.10 2.54 0.06 1.57 -2.85 -1.26 -1.26 119.74 118.64 2q4s s LYS 174 Ca 0.69 -0.70 0.06 0.00 -1.00 0.00 0.00 55.97 55.02 2q4s s LYS 174 Cb -0.52 -2.38 -0.03 0.00 -2.06 0.00 0.00 37.83 32.84 2q4s s LYS 174 CO 0.43 0.60 -0.17 0.54 0.10 0.00 0.00 175.35 176.84 2q4s s ASN 175 N -0.67 2.09 0.15 0.03 4.22 -0.52 -4.95 114.94 115.28 2q4s s ASN 175 Ca 0.10 -0.55 -0.30 0.00 -2.14 0.00 0.00 52.86 49.97 2q4s s ASN 175 Cb -0.11 -0.13 -0.07 0.00 1.28 0.00 0.00 41.25 42.22 2q4s s ASN 175 CO 0.01 0.06 1.05 -0.75 -2.04 0.00 0.00 177.10 175.42 2q4s s LYS 176 N -1.42 4.63 0.00 3.55 2.20 -1.26 -1.17 119.74 126.26 2q4s s LYS 176 Ca 0.04 1.61 0.07 0.00 -0.36 0.00 0.00 55.97 57.33 2q4s s LYS 176 Cb -0.09 -3.32 -0.02 0.00 -1.51 0.00 0.00 37.83 32.89 2q4s s LYS 176 CO 0.02 0.12 -0.21 0.08 -0.36 0.00 0.00 175.35 174.99 2q4s s VAL 177 N -0.09 1.70 0.00 4.02 1.01 0.10 -4.93 120.40 122.21 2q4s s VAL 177 Ca 0.49 -1.02 0.00 0.00 0.00 0.00 0.00 61.98 61.45 2q4s s VAL 177 Cb -0.27 -1.43 0.00 0.00 0.00 0.00 0.00 36.38 34.68 2q4s s VAL 177 CO 0.33 0.39 0.00 0.41 0.00 0.00 0.00 175.10 176.23 2q4s n THR 178 N 2.31 0.00 -3.61 3.92 -1.04 -1.26 -2.25 114.28 112.36 2q4s n THR 178 Ca -0.16 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 61.85 2q4s n THR 178 Cb 0.53 -0.92 -0.01 0.00 -1.82 0.00 0.00 70.33 68.11 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 1.38 0.00 -0.08 12.58 -4.23 -1.26 -4.98 115.64 119.04 2q4s s THR 180 Ca 0.00 -0.12 0.00 0.00 -1.18 0.00 0.00 61.69 60.39 2q4s s THR 180 Cb 0.00 -1.69 -0.03 0.00 1.34 0.00 0.00 72.50 72.12 2q4s s THR 180 CO 0.00 0.00 -0.06 -0.36 -0.54 0.00 0.00 174.62 173.66 2q4s s PHE 181 N -2.33 2.98 0.05 3.99 0.08 -1.26 -4.68 117.98 116.81 2q4s s PHE 181 Ca 0.13 0.02 0.09 0.00 0.12 0.00 0.00 56.93 57.29 2q4s s PHE 181 Cb 0.04 -1.74 -0.15 0.00 -0.57 0.00 0.00 43.02 40.59 2q4s s PHE 181 CO -0.04 0.32 1.29 1.25 -0.10 0.00 0.00 175.22 177.94 2q4s h HIS 182 N 5.35 0.00 -3.08 0.36 -0.00 -0.49 -3.43 115.15 113.86 2q4s h HIS 182 Ca -0.48 0.00 -0.01 0.00 -0.00 0.00 0.00 60.37 59.88 2q4s h HIS 182 Cb 1.18 0.00 -0.11 0.00 -0.00 0.00 0.00 27.41 28.48 2q4s h HIS 182 CO 0.57 0.88 0.16 -1.54 -0.00 0.00 0.00 177.93 178.00 2q4s s SER 183 N -6.62 -0.45 -0.02 3.26 1.04 -1.20 -2.06 113.70 107.65 2q4s s SER 183 Ca 0.01 -0.18 0.00 0.00 0.48 0.00 0.00 55.95 56.27 2q4s s SER 183 Cb 0.09 0.60 0.02 0.00 0.10 0.00 0.00 66.02 66.83 2q4s s SER 183 CO 0.80 -1.02 -0.00 -0.54 0.98 0.00 0.00 173.24 173.46 2q4s s LYS 184 N -3.79 0.23 -1.69 4.02 1.02 0.15 -1.79 119.74 117.89 2q4s s LYS 184 Ca 0.04 0.04 -0.17 0.00 0.02 0.00 0.00 55.97 55.89 2q4s s LYS 184 Cb -0.01 -0.37 0.15 0.00 -0.52 0.00 0.00 37.83 37.08 2q4s s LYS 184 CO -0.09 -0.08 0.76 1.19 -0.92 0.00 0.00 175.35 176.21 2q4s n PHE 185 N 3.80 -1.73 -0.04 3.18 3.72 -0.02 0.10 117.46 126.47 2q4s n PHE 185 Ca -0.23 0.79 0.00 0.00 -0.05 0.00 0.00 57.45 57.97 2q4s n PHE 185 Cb 0.53 -2.99 0.00 0.00 -0.94 0.00 0.00 39.48 36.08 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 -1.45 2.30 3.55 1.37 0.00 -1.26 -5.01 105.19 104.69 2q4s n GLY 186 Ca 0.05 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.66 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 -2.83 5.17 0.26 -0.61 -1.09 0.29 -4.96 121.20 117.42 2q4s s ILE 187 Ca 0.00 0.10 -0.30 0.00 -2.23 0.00 0.00 60.65 58.22 2q4s s ILE 187 Cb 0.00 -3.81 -0.11 0.00 -1.58 0.00 0.00 42.46 36.96 2q4s s ILE 187 CO 0.00 -0.07 1.56 -0.60 -1.23 0.00 0.00 174.94 174.60 2q4s s ARG 188 N 2.03 4.17 -0.54 2.79 6.06 -1.26 0.32 118.95 132.53 2q4s s ARG 188 Ca 0.12 2.48 0.03 0.00 -2.50 0.00 0.00 55.73 55.85 2q4s s ARG 188 Cb -0.16 -3.07 0.14 0.00 0.06 0.00 0.00 34.95 31.91 2q4s s ARG 188 CO 0.12 -0.58 0.30 0.95 -2.50 0.00 0.00 175.30 173.58 2q4s s THR 189 N 0.25 2.82 -2.00 4.11 -4.23 -0.88 -4.89 115.64 110.83 2q4s s THR 189 Ca 0.64 -3.26 0.12 0.00 -1.18 0.00 0.00 61.69 58.01 2q4s s THR 189 Cb -0.46 -2.93 0.33 0.00 1.34 0.00 0.00 72.50 70.79 2q4s s THR 189 CO 0.43 -0.82 1.14 -2.65 -0.54 0.00 0.00 174.62 172.18