#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1q85 s ASN 3 N 0.00 4.78 0.57 0.55 2.20 -1.26 -4.57 114.94 117.21 1q85 s ASN 3 Ca 0.00 0.05 0.35 0.00 -0.94 0.00 0.00 52.86 52.32 1q85 s ASN 3 Cb 0.00 -0.69 1.58 0.00 -2.00 0.00 0.00 41.25 40.15 1q85 s ASN 3 CO 0.00 -1.55 2.07 0.08 -2.94 0.00 0.00 177.10 174.76 1q85 h ARG 4 N -0.37 0.00 -0.26 3.55 0.11 -1.08 -1.70 114.38 114.63 1q85 h ARG 4 Ca -0.41 0.00 -0.19 0.00 0.10 0.00 0.00 59.98 59.48 1q85 h ARG 4 Cb 1.29 0.00 0.00 0.00 1.11 0.00 0.00 29.97 32.37 1q85 h ARG 4 CO 0.51 0.02 -0.57 -0.09 0.10 0.00 0.00 179.97 179.94 1q85 h ARG 5 N 0.00 0.83 -0.17 0.08 2.43 -1.94 -0.27 114.38 115.34 1q85 h ARG 5 Ca -0.00 -0.54 -0.04 0.00 -0.81 0.00 0.00 59.98 58.59 1q85 h ARG 5 Cb 0.40 0.07 -0.01 0.00 -0.42 0.00 0.00 29.97 30.01 1q85 h ARG 5 CO 0.00 1.17 -0.04 0.93 -1.51 0.00 0.00 179.97 180.53 1q85 h GLU 6 N 0.63 0.33 -0.64 0.20 5.08 -1.82 -0.81 114.58 117.55 1q85 h GLU 6 Ca 0.01 -0.12 -0.02 0.00 -1.00 0.00 0.00 59.36 58.23 1q85 h GLU 6 Cb 1.18 -0.02 -0.03 0.00 0.50 0.00 0.00 28.75 30.38 1q85 h GLU 6 CO 0.12 0.59 0.34 0.28 -1.00 0.00 0.00 179.01 179.34 1q85 h VAL 7 N 0.04 1.21 -0.70 3.13 2.07 -1.34 -0.72 116.25 119.94 1q85 h VAL 7 Ca 0.04 -0.54 -0.02 0.00 0.82 0.00 0.00 66.70 67.01 1q85 h VAL 7 Cb 0.46 0.39 -0.03 0.00 -1.52 0.00 0.00 31.29 30.59 1q85 h VAL 7 CO 0.02 0.23 0.37 0.28 0.02 0.00 0.00 177.57 178.48 1q85 h SER 8 N 0.88 0.87 -0.02 0.57 0.02 -0.90 -0.00 113.55 114.96 1q85 h SER 8 Ca 0.22 -0.07 -0.00 0.00 -0.84 0.00 0.00 61.79 61.10 1q85 h SER 8 Cb 0.06 -0.22 -0.00 0.00 0.14 0.00 0.00 62.40 62.38 1q85 h SER 8 CO -0.03 0.71 0.00 0.50 -1.14 0.00 0.00 176.83 176.87 1q85 h LYS 9 N 0.97 0.04 -0.32 3.45 1.63 -0.56 -0.62 116.57 121.16 1q85 h LYS 9 Ca 0.25 -0.01 0.04 0.00 -0.85 0.00 0.00 60.65 60.08 1q85 h LYS 9 Cb 0.04 -0.00 -0.04 0.00 -0.60 0.00 0.00 32.23 31.63 1q85 h LYS 9 CO -0.04 0.29 0.08 1.25 -3.45 0.00 0.00 179.45 177.59 1q85 h LEU 10 N -0.22 0.05 -1.27 5.20 5.85 -0.74 -1.95 115.31 122.23 1q85 h LEU 10 Ca 0.01 0.05 -0.01 0.00 0.84 0.00 0.00 57.88 58.76 1q85 h LEU 10 Cb 0.27 0.05 -0.03 0.00 0.37 0.00 0.00 40.66 41.32 1q85 h LEU 10 CO 0.00 0.07 0.33 -0.07 -0.34 0.00 0.00 178.44 178.42 1q85 h LEU 11 N 0.21 0.73 -2.11 2.25 3.38 -0.92 -0.86 115.31 117.98 1q85 h LEU 11 Ca 0.15 -0.05 -0.02 0.00 0.09 0.00 0.00 57.88 58.05 1q85 h LEU 11 Cb 0.15 -0.19 -0.00 0.00 0.09 0.00 0.00 40.66 40.71 1q85 h LEU 11 CO -0.18 0.60 -0.07 0.77 0.09 0.00 0.00 178.44 179.64 1q85 h SER 12 N 0.83 0.00 0.47 -0.43 4.64 -0.34 -2.94 113.55 115.79 1q85 h SER 12 Ca 0.21 0.00 -0.28 0.00 -0.47 0.00 0.00 61.79 61.25 1q85 h SER 12 Cb 0.03 0.00 -0.05 0.00 -0.31 0.00 0.00 62.40 62.07 1q85 h SER 12 CO -0.03 0.07 -1.73 -0.62 -0.87 0.00 0.00 176.83 173.64 1q85 n GLU 13 N -3.53 0.64 -3.50 4.77 1.02 -0.40 -4.54 120.64 115.11 1q85 n GLU 13 Ca -0.02 0.26 -0.13 0.00 -0.02 0.00 0.00 57.16 57.25 1q85 n GLU 13 Cb 0.20 -1.77 -0.04 0.00 -0.02 0.00 0.00 31.44 29.81 1q85 n GLU 13 CO 0.00 0.00 0.00 -0.98 1.18 0.00 0.00 177.13 177.33 1q85 s ARG 14 N -2.63 0.99 -0.04 3.49 1.70 -0.77 -4.27 118.95 117.42 1q85 s ARG 14 Ca -0.05 -0.11 -0.30 0.00 -0.47 0.00 0.00 55.73 54.80 1q85 s ARG 14 Cb 0.08 0.46 -0.03 0.00 -0.57 0.00 0.00 34.95 34.89 1q85 s ARG 14 CO 0.82 -0.38 1.15 0.08 -1.08 0.00 0.00 175.30 175.90 1q85 s VAL 15 N -2.41 4.34 0.27 4.99 1.01 0.22 -4.44 120.40 124.39 1q85 s VAL 15 Ca -0.02 1.66 0.02 0.00 0.00 0.00 0.00 61.98 63.64 1q85 s VAL 15 Cb -0.01 -4.07 -0.03 0.00 0.00 0.00 0.00 36.38 32.27 1q85 s VAL 15 CO -0.03 0.03 0.44 -0.76 0.00 0.00 0.00 175.10 174.78 1q85 s LEU 16 N 1.89 4.18 -0.18 3.92 1.43 -0.42 -4.74 118.68 124.76 1q85 s LEU 16 Ca 0.55 0.29 -0.06 0.00 -1.03 0.00 0.00 54.13 53.88 1q85 s LEU 16 Cb -0.24 -3.11 -0.03 0.00 0.03 0.00 0.00 46.19 42.84 1q85 s LEU 16 CO 0.23 -0.15 0.02 -0.22 0.23 0.00 0.00 176.35 176.46 1q85 s LEU 17 N -3.96 3.53 0.00 1.79 2.96 -1.26 -1.46 118.68 120.27 1q85 s LEU 17 Ca 0.37 -0.04 -0.00 0.00 -0.22 0.00 0.00 54.13 54.24 1q85 s LEU 17 Cb -0.10 -1.88 0.03 0.00 0.50 0.00 0.00 46.19 44.74 1q85 s LEU 17 CO 0.32 0.15 0.24 0.18 -1.32 0.00 0.00 176.35 175.91 1q85 n LEU 18 N 3.71 0.00 0.00 -0.68 4.77 0.13 -0.94 117.00 123.99 1q85 n LEU 18 Ca -0.17 -0.48 0.00 0.00 -0.03 0.00 0.00 56.01 55.33 1q85 n LEU 18 Cb 0.52 -0.15 0.00 0.00 -2.33 0.00 0.00 43.42 41.46 1q85 n LEU 18 CO 0.34 -0.62 0.00 -0.90 -1.33 0.00 0.00 177.39 174.88 1q85 n ASP 19 N -2.99 0.00 0.00 -1.43 3.85 -1.13 -4.70 116.55 110.15 1q85 n ASP 19 Ca 0.04 -0.97 0.00 0.00 -0.71 0.00 0.00 54.79 53.15 1q85 n ASP 19 Cb 0.14 0.00 0.00 0.00 -1.35 0.00 0.00 41.12 39.91 1q85 n ASP 19 CO 0.00 0.00 0.00 0.61 -1.01 0.00 0.00 177.20 176.80 1q85 n GLY 20 N 5.00 3.47 3.80 6.12 0.00 -1.26 -2.98 105.19 119.35 1q85 n GLY 20 Ca 0.00 -1.89 -0.36 0.00 0.00 0.00 0.00 46.02 43.77 1q85 n GLY 20 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1q85 s ALA 21 N -2.48 3.35 -0.20 4.61 0.00 -0.64 -4.88 121.76 121.51 1q85 s ALA 21 Ca 0.00 0.28 -0.06 0.00 0.00 0.00 0.00 51.96 52.18 1q85 s ALA 21 Cb 0.00 -2.94 -0.10 0.00 0.00 0.00 0.00 23.12 20.08 1q85 s ALA 21 CO 0.00 0.28 -0.24 0.66 0.00 0.00 0.00 175.76 176.46 1q85 n TYR 22 N 0.67 0.00 -0.10 0.00 4.02 -1.26 -4.39 117.16 116.10 1q85 n TYR 22 Ca -0.01 0.00 -0.14 0.00 -0.01 0.00 0.00 57.90 57.74 1q85 n TYR 22 Cb 0.51 -0.75 -0.10 0.00 -0.02 0.00 0.00 39.34 38.98 1q85 n TYR 22 CO 0.00 0.00 0.00 0.78 -1.01 0.00 0.00 176.86 176.63 1q85 h GLY 23 N 0.03 -1.02 2.00 2.72 0.00 -1.98 0.11 103.07 104.93 1q85 h GLY 23 Ca -0.50 0.71 -0.00 0.00 0.00 0.00 0.00 47.33 47.54 1q85 h GLY 23 CO -0.23 -0.14 -0.00 -0.91 0.00 0.00 0.00 176.54 175.25 1q85 h THR 24 N -0.45 0.46 -0.07 4.70 1.35 -1.96 -1.26 112.91 115.67 1q85 h THR 24 Ca 0.06 -0.02 -0.21 0.00 -0.55 0.00 0.00 66.41 65.70 1q85 h THR 24 Cb 0.62 1.01 0.01 0.00 -1.73 0.00 0.00 68.15 68.07 1q85 h THR 24 CO -0.55 0.00 -0.77 -0.33 -0.25 0.00 0.00 175.52 173.62 1q85 h GLU 25 N 0.00 0.64 -0.69 4.72 4.39 -1.15 -2.97 114.58 119.53 1q85 h GLU 25 Ca -0.00 -0.60 0.00 0.00 0.34 0.00 0.00 59.36 59.10 1q85 h GLU 25 Cb 0.01 0.15 0.00 0.00 -0.10 0.00 0.00 28.75 28.81 1q85 h GLU 25 CO 0.00 1.21 0.00 1.19 -1.16 0.00 0.00 179.01 180.25 1q85 n PHE 26 N -4.03 0.00 0.00 4.33 0.99 0.17 -2.11 117.46 116.82 1q85 n PHE 26 Ca -0.09 0.00 0.00 0.00 -0.00 0.00 0.00 57.45 57.36 1q85 n PHE 26 Cb 0.74 -0.03 0.00 0.00 -1.00 0.00 0.00 39.48 39.19 1q85 n PHE 26 CO 0.00 0.00 0.00 1.17 -0.00 0.00 0.00 176.76 177.93 1q85 n LYS 28 N 0.63 0.00 -0.30 -1.08 4.81 -1.13 -1.85 118.16 119.25 1q85 n LYS 28 Ca 0.00 0.00 0.05 0.00 -0.87 0.00 0.00 58.31 57.49 1q85 n LYS 28 Cb 0.00 0.00 0.17 0.00 0.02 0.00 0.00 35.03 35.22 1q85 n LYS 28 CO 0.00 0.00 0.00 0.66 1.17 0.00 0.00 177.40 179.23 1q85 n TYR 29 N 0.00 0.72 -1.98 5.64 4.02 -0.90 -4.88 117.16 119.77 1q85 n TYR 29 Ca 0.00 -0.29 -0.00 0.00 -0.01 0.00 0.00 57.90 57.60 1q85 n TYR 29 Cb 0.00 -0.14 -0.00 0.00 -0.02 0.00 0.00 39.34 39.18 1q85 n TYR 29 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 1q85 n GLY 30 N 0.72 0.37 2.67 2.72 0.00 -1.13 -5.04 105.19 105.49 1q85 n GLY 30 Ca 0.13 -0.89 -0.30 0.00 0.00 0.00 0.00 46.02 44.96 1q85 n GLY 30 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1q85 s TYR 31 N -2.00 1.28 -1.89 1.61 1.51 -0.77 -4.95 117.35 112.13 1q85 s TYR 31 Ca 0.00 -1.51 0.13 0.00 -1.01 0.00 0.00 57.07 54.68 1q85 s TYR 31 Cb 0.00 -1.46 0.38 0.00 -0.11 0.00 0.00 41.96 40.77 1q85 s TYR 31 CO 0.00 -0.86 1.30 -0.40 -1.11 0.00 0.00 175.55 174.48 1q85 n ASP 32 N 4.89 2.36 -4.67 2.29 5.75 -1.26 -4.71 116.55 121.20 1q85 n ASP 32 Ca -0.02 -2.04 -0.30 0.00 -0.01 0.00 0.00 54.79 52.42 1q85 n ASP 32 Cb 0.42 -0.31 0.16 0.00 -1.03 0.00 0.00 41.12 40.36 1q85 n ASP 32 CO 0.00 0.00 0.00 -1.81 -0.11 0.00 0.00 177.20 175.28 1q85 s ASP 33 N -0.96 2.99 -0.09 -1.12 1.11 -1.26 -4.94 116.67 112.40 1q85 s ASP 33 Ca 0.28 1.84 -0.30 0.00 0.18 0.00 0.00 52.55 54.56 1q85 s ASP 33 Cb 0.15 -2.42 -0.02 0.00 1.07 0.00 0.00 42.92 41.70 1q85 s ASP 33 CO 0.18 -3.00 1.11 -1.48 1.18 0.00 0.00 175.17 173.17 1q85 s LEU 34 N -6.50 4.25 0.06 1.23 0.05 -1.26 -4.95 118.68 111.56 1q85 s LEU 34 Ca 0.65 1.66 -0.12 0.00 0.05 0.00 0.00 54.13 56.37 1q85 s LEU 34 Cb -0.21 -3.56 -0.02 0.00 -2.05 0.00 0.00 46.19 40.35 1q85 s LEU 34 CO 0.59 -0.54 0.60 -0.81 -0.55 0.00 0.00 176.35 175.64 1q85 n PRO 35 N 5.25 -0.17 -0.27 1.48 -0.04 -1.26 -0.70 135.00 139.29 1q85 n PRO 35 Ca 0.10 0.59 0.16 0.00 -0.04 0.00 0.00 63.50 64.31 1q85 n PRO 35 Cb 0.47 -0.86 0.45 0.00 -0.04 0.00 0.00 33.50 33.51 1q85 n PRO 35 CO 0.00 0.00 0.00 0.93 -0.04 0.00 0.00 175.50 176.39 1q85 h GLU 36 N 0.00 0.52 -0.19 0.54 3.07 -1.93 -2.18 114.58 114.42 1q85 h GLU 36 Ca 0.07 -0.03 -0.00 0.00 -0.50 0.00 0.00 59.36 58.89 1q85 h GLU 36 Cb 0.16 -0.12 -0.01 0.00 -0.84 0.00 0.00 28.75 27.95 1q85 h GLU 36 CO -0.37 0.35 0.11 0.93 -1.40 0.00 0.00 179.01 178.63 1q85 h GLU 37 N 0.54 0.26 -0.58 2.33 5.08 -1.30 -2.43 114.58 118.48 1q85 h GLU 37 Ca 0.48 -0.03 0.17 0.00 -1.00 0.00 0.00 59.36 58.98 1q85 h GLU 37 Cb 1.01 -0.05 -0.02 0.00 0.50 0.00 0.00 28.75 30.18 1q85 h GLU 37 CO -0.22 0.24 0.63 -0.07 -1.00 0.00 0.00 179.01 178.60 1q85 h LEU 38 N 0.21 0.00 -0.90 1.33 3.38 -1.45 0.23 115.31 118.10 1q85 h LEU 38 Ca 0.07 0.00 0.17 0.00 0.09 0.00 0.00 57.88 58.20 1q85 h LEU 38 Cb 0.05 0.00 -0.10 0.00 0.09 0.00 0.00 40.66 40.70 1q85 h LEU 38 CO -0.01 0.00 0.49 0.78 0.09 0.00 0.00 178.44 179.79 1q85 h ASN 39 N 0.00 0.60 0.01 -0.43 -0.26 -1.48 -0.24 115.58 113.77 1q85 h ASN 39 Ca 0.28 0.10 -0.40 0.00 -0.56 0.00 0.00 56.30 55.72 1q85 h ASN 39 Cb 1.54 0.00 -0.07 0.00 -1.06 0.00 0.00 38.32 38.74 1q85 h ASN 39 CO -0.00 0.22 -2.45 2.30 -1.06 0.00 0.00 177.43 176.44 1q85 n ILE 40 N -4.85 1.51 0.00 2.81 -5.35 0.74 -4.12 119.36 110.11 1q85 n ILE 40 Ca 0.19 -0.56 -0.17 0.00 -0.27 0.00 0.00 62.75 61.95 1q85 n ILE 40 Cb 0.49 -1.48 -0.12 0.00 -1.74 0.00 0.00 39.64 36.79 1q85 n ILE 40 CO 0.00 0.00 0.00 0.07 -1.76 0.00 0.00 176.55 174.86 1q85 h LYS 41 N -0.09 0.32 -2.15 6.28 2.10 -1.33 -3.39 116.57 118.31 1q85 h LYS 41 Ca -0.58 -0.39 -0.56 0.00 -2.00 0.00 0.00 60.65 57.12 1q85 h LYS 41 Cb 1.88 0.12 -0.41 0.00 -0.90 0.00 0.00 32.23 32.92 1q85 h LYS 41 CO -0.11 1.09 -0.85 0.00 -2.00 0.00 0.00 179.45 177.58 1q85 n ALA 42 N -2.59 3.53 -0.11 0.07 0.00 -0.19 -4.92 120.51 116.29 1q85 n ALA 42 Ca -0.11 -4.19 0.16 0.00 0.00 0.00 0.00 53.44 49.31 1q85 n ALA 42 Cb 0.66 -0.83 0.55 0.00 0.00 0.00 0.00 19.45 19.83 1q85 n ALA 42 CO 0.00 0.00 0.00 -1.00 0.00 0.00 0.00 177.50 176.50 1q85 h PRO 43 N 3.35 0.30 -0.88 0.00 0.13 -1.48 -1.37 132.00 132.06 1q85 h PRO 43 Ca 0.13 -0.02 0.05 0.00 -0.87 0.00 0.00 66.00 65.29 1q85 h PRO 43 Cb 0.71 -0.07 -0.06 0.00 0.13 0.00 0.00 31.00 31.71 1q85 h PRO 43 CO 0.69 0.20 0.55 0.38 -0.23 0.00 0.00 178.00 179.59 1q85 h ASP 44 N 0.31 0.89 -0.22 1.44 2.03 -1.91 -1.22 116.42 117.74 1q85 h ASP 44 Ca 0.33 0.01 -0.00 0.00 -0.73 0.00 0.00 57.03 56.63 1q85 h ASP 44 Cb 0.85 -0.18 -0.01 0.00 -0.83 0.00 0.00 39.33 39.16 1q85 h ASP 44 CO -0.08 0.58 0.13 0.58 -1.03 0.00 0.00 179.24 179.42 1q85 h VAL 45 N 1.03 1.10 -0.51 4.15 2.07 -1.60 -1.81 116.25 120.67 1q85 h VAL 45 Ca 0.37 -0.25 0.08 0.00 0.82 0.00 0.00 66.70 67.72 1q85 h VAL 45 Cb 0.12 0.87 -0.06 0.00 -1.52 0.00 0.00 31.29 30.69 1q85 h VAL 45 CO -0.15 0.09 0.16 0.58 0.02 0.00 0.00 177.57 178.27 1q85 h VAL 46 N 0.26 0.79 -0.82 2.57 2.07 -1.29 -2.22 116.25 117.61 1q85 h VAL 46 Ca 0.08 -0.11 -0.03 0.00 0.82 0.00 0.00 66.70 67.46 1q85 h VAL 46 Cb 0.04 0.44 -0.04 0.00 -1.52 0.00 0.00 31.29 30.21 1q85 h VAL 46 CO -0.01 0.06 0.39 0.25 0.02 0.00 0.00 177.57 178.27 1q85 h LEU 47 N 0.32 1.07 -0.21 2.57 5.85 -0.95 -2.39 115.31 121.57 1q85 h LEU 47 Ca 0.25 -0.14 0.03 0.00 0.84 0.00 0.00 57.88 58.86 1q85 h LEU 47 Cb 0.29 -0.28 -0.03 0.00 0.37 0.00 0.00 40.66 41.02 1q85 h LEU 47 CO -0.28 0.91 0.03 0.11 -0.34 0.00 0.00 178.44 178.87 1q85 h LYS 48 N 1.16 0.10 -0.84 1.25 1.57 -0.74 -1.11 116.57 117.97 1q85 h LYS 48 Ca 0.28 -0.01 -0.03 0.00 -1.87 0.00 0.00 60.65 59.03 1q85 h LYS 48 Cb 0.12 -0.02 -0.04 0.00 0.08 0.00 0.00 32.23 32.37 1q85 h LYS 48 CO -0.03 0.07 0.41 0.28 -0.57 0.00 0.00 179.45 179.61 1q85 h VAL 49 N 0.10 1.26 -0.55 0.50 2.07 -1.29 -1.21 116.25 117.13 1q85 h VAL 49 Ca 0.10 -0.71 -0.03 0.00 0.82 0.00 0.00 66.70 66.88 1q85 h VAL 49 Cb 0.10 0.17 -0.02 0.00 -1.52 0.00 0.00 31.29 30.02 1q85 h VAL 49 CO -0.14 0.31 0.22 0.45 0.02 0.00 0.00 177.57 178.42 1q85 h HIS 50 N 1.19 0.84 -0.08 1.57 3.86 -1.06 -2.88 115.15 118.59 1q85 h HIS 50 Ca 0.29 -0.06 -0.12 0.00 -1.16 0.00 0.00 60.37 59.32 1q85 h HIS 50 Cb 0.10 -0.25 -0.01 0.00 1.06 0.00 0.00 27.41 28.31 1q85 h HIS 50 CO 0.01 0.68 -0.48 0.00 0.86 0.00 0.00 177.93 179.00 1q85 h ARG 51 N 0.75 0.20 -0.25 2.45 3.08 -0.92 -1.30 114.38 118.38 1q85 h ARG 51 Ca 0.18 -0.11 -0.04 0.00 0.07 0.00 0.00 59.98 60.09 1q85 h ARG 51 Cb 0.20 0.01 -0.01 0.00 0.08 0.00 0.00 29.97 30.24 1q85 h ARG 51 CO -0.01 0.64 -0.01 0.66 -1.07 0.00 0.00 179.97 180.17 1q85 h SER 52 N 0.16 0.34 0.20 7.04 4.64 -1.06 0.18 113.55 125.06 1q85 h SER 52 Ca 0.01 -0.05 -0.27 0.00 -0.47 0.00 0.00 61.79 61.00 1q85 h SER 52 Cb 0.92 -0.09 0.03 0.00 -0.31 0.00 0.00 62.40 62.95 1q85 h SER 52 CO 0.07 0.42 -1.19 1.88 -0.87 0.00 0.00 176.83 177.14 1q85 h TYR 53 N 0.36 0.81 -0.47 4.77 0.99 -1.26 -2.06 116.97 120.10 1q85 h TYR 53 Ca 0.08 -0.58 -0.00 0.00 2.00 0.00 0.00 58.73 60.22 1q85 h TYR 53 Cb 0.27 -0.03 -0.02 0.00 1.00 0.00 0.00 36.73 37.94 1q85 h TYR 53 CO 0.01 1.45 0.28 0.82 -0.00 0.00 0.00 178.16 180.72 1q85 h ILE 54 N -0.07 1.15 0.00 -2.88 1.08 -1.01 -0.43 117.51 115.35 1q85 h ILE 54 Ca -0.21 -0.36 0.00 0.00 -0.39 0.00 0.00 64.86 63.91 1q85 h ILE 54 Cb 1.94 0.53 0.00 0.00 -3.07 0.00 0.00 36.82 36.22 1q85 h ILE 54 CO 0.22 0.16 0.00 -0.33 -0.69 0.00 0.00 178.15 177.51 1q85 h GLU 55 N 0.63 0.00 -0.01 2.37 5.08 -0.70 -0.82 114.58 121.12 1q85 h GLU 55 Ca 0.17 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.53 1q85 h GLU 55 Cb 0.01 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.26 1q85 h GLU 55 CO -0.03 0.00 -0.10 0.43 -1.00 0.00 0.00 179.01 178.31 1q85 n SER 56 N -2.33 1.52 0.00 1.42 7.64 -0.24 -4.94 113.62 116.69 1q85 n SER 56 Ca 0.01 -1.36 0.00 0.00 1.01 0.00 0.00 58.87 58.53 1q85 n SER 56 Cb 0.20 0.06 0.00 0.00 -1.01 0.00 0.00 64.21 63.47 1q85 n SER 56 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1q85 n GLY 57 N 1.25 1.11 3.75 0.23 0.00 -0.32 -3.78 105.19 107.44 1q85 n GLY 57 Ca 0.16 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.77 1q85 n GLY 57 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1q85 s SER 58 N -2.00 6.64 0.19 1.61 0.01 -0.81 -4.84 113.70 114.50 1q85 s SER 58 Ca 0.00 2.71 0.23 0.00 1.31 0.00 0.00 55.95 60.20 1q85 s SER 58 Cb 0.00 -2.63 0.02 0.00 0.21 0.00 0.00 66.02 63.61 1q85 s SER 58 CO 0.00 -0.69 1.05 0.47 0.41 0.00 0.00 173.24 174.48 1q85 n ASP 59 N 1.88 0.81 -3.78 2.44 8.00 -0.12 -4.76 116.55 121.02 1q85 n ASP 59 Ca 0.05 0.28 -0.13 0.00 0.71 0.00 0.00 54.79 55.71 1q85 n ASP 59 Cb 0.40 0.48 -0.12 0.00 -0.02 0.00 0.00 41.12 41.86 1q85 n ASP 59 CO 0.00 0.00 0.00 -0.69 -0.39 0.00 0.00 177.20 176.12 1q85 s VAL 60 N -3.35 -0.01 0.13 2.53 1.01 -1.06 -1.69 120.40 117.97 1q85 s VAL 60 Ca -0.00 0.04 0.09 0.00 0.00 0.00 0.00 61.98 62.11 1q85 s VAL 60 Cb 0.10 -0.33 -0.04 0.00 0.00 0.00 0.00 36.38 36.11 1q85 s VAL 60 CO 0.79 0.02 -0.21 0.27 0.00 0.00 0.00 175.10 175.97 1q85 s ILE 61 N 0.43 1.84 -0.14 2.22 -4.36 -0.70 -2.85 121.20 117.64 1q85 s ILE 61 Ca -0.03 -1.72 -0.07 0.00 -0.26 0.00 0.00 60.65 58.57 1q85 s ILE 61 Cb -0.04 -1.73 -0.04 0.00 1.25 0.00 0.00 42.46 41.90 1q85 s ILE 61 CO -0.02 -0.14 0.10 -0.76 0.24 0.00 0.00 174.94 174.36 1q85 s LEU 62 N -2.23 4.14 0.52 0.37 1.43 -1.26 -1.94 118.68 119.70 1q85 s LEU 62 Ca 0.11 0.31 -0.22 0.00 -1.03 0.00 0.00 54.13 53.31 1q85 s LEU 62 Cb -0.08 -2.02 -0.06 0.00 0.03 0.00 0.00 46.19 44.06 1q85 s LEU 62 CO 0.06 0.33 1.28 0.42 0.23 0.00 0.00 176.35 178.66 1q85 s THR 63 N -0.53 2.49 -1.42 5.49 -4.23 -0.69 -4.85 115.64 111.89 1q85 s THR 63 Ca 0.12 0.36 -0.14 0.00 -1.18 0.00 0.00 61.69 60.85 1q85 s THR 63 Cb -0.12 -3.18 -0.01 0.00 1.34 0.00 0.00 72.50 70.53 1q85 s THR 63 CO 0.02 -0.01 2.36 -3.20 -0.54 0.00 0.00 174.62 173.25 1q85 n ASN 64 N -0.86 4.81 -0.44 3.99 5.15 -1.26 -4.12 115.26 122.52 1q85 n ASN 64 Ca 0.09 -2.76 0.03 0.00 -0.60 0.00 0.00 54.58 51.35 1q85 n ASN 64 Cb 0.46 -1.58 0.04 0.00 -0.53 0.00 0.00 39.78 38.18 1q85 n ASN 64 CO 0.00 0.00 0.00 0.35 1.40 0.00 0.00 177.26 179.01 1q85 n THR 65 N 4.83 0.54 -0.33 -0.44 -2.24 -1.26 -4.59 114.28 110.79 1q85 n THR 65 Ca 0.57 -0.71 0.18 0.00 -2.27 0.00 0.00 64.05 61.82 1q85 n THR 65 Cb 0.35 0.32 0.43 0.00 -2.10 0.00 0.00 70.33 69.32 1q85 n THR 65 CO 0.00 0.00 0.00 0.15 -0.57 0.00 0.00 175.07 174.65 1q85 h PHE 66 N 0.07 0.85 -0.42 4.78 3.04 -1.74 0.53 116.94 124.05 1q85 h PHE 66 Ca -0.01 0.03 0.00 0.00 3.98 0.00 0.00 57.97 61.97 1q85 h PHE 66 Cb 1.31 -0.25 0.00 0.00 2.56 0.00 0.00 35.95 39.57 1q85 h PHE 66 CO 0.09 0.12 0.00 0.41 -2.02 0.00 0.00 178.31 176.91 1q85 n GLY 67 N -1.40 3.45 2.43 2.40 0.00 -1.26 -0.92 105.19 109.89 1q85 n GLY 67 Ca 0.24 -0.94 -0.34 0.00 0.00 0.00 0.00 46.02 44.98 1q85 n GLY 67 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1q85 n ALA 68 N 0.14 6.74 -2.44 4.61 0.00 0.18 -3.94 120.51 125.79 1q85 n ALA 68 Ca 0.24 -3.53 -0.24 0.00 0.00 0.00 0.00 53.44 49.90 1q85 n ALA 68 Cb 0.98 -2.59 -0.12 0.00 0.00 0.00 0.00 19.45 17.73 1q85 n ALA 68 CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 177.50 178.45 1q85 s THR 69 N -1.04 2.09 -0.29 0.00 -4.23 -1.26 -4.85 115.64 106.06 1q85 s THR 69 Ca 0.58 -1.96 0.00 0.00 -1.18 0.00 0.00 61.69 59.13 1q85 s THR 69 Cb 0.26 -1.98 0.00 0.00 1.34 0.00 0.00 72.50 72.12 1q85 s THR 69 CO -0.13 -0.20 0.00 0.54 -0.54 0.00 0.00 174.62 174.29 1q85 n ARG 70 N 0.31 0.00 0.00 3.99 1.74 -1.26 -0.95 116.66 120.48 1q85 n ARG 70 Ca -0.13 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 56.95 1q85 n ARG 70 Cb 0.56 -1.07 0.00 0.00 -1.02 0.00 0.00 32.46 30.93 1q85 n ARG 70 CO 0.00 0.00 0.00 1.17 -1.52 0.00 0.00 177.63 177.28 1q85 n LYS 72 N 0.66 0.00 -0.17 5.56 3.00 -1.26 -0.69 118.16 125.25 1q85 n LYS 72 Ca 0.00 0.00 -0.04 0.00 -0.00 0.00 0.00 58.31 58.27 1q85 n LYS 72 Cb 0.00 0.00 0.14 0.00 0.00 0.00 0.00 35.03 35.17 1q85 n LYS 72 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 177.40 177.33 1q85 h LEU 73 N 0.00 0.87 -2.66 3.14 3.38 -1.17 -2.33 115.31 116.54 1q85 h LEU 73 Ca 0.00 -0.17 0.00 0.00 0.09 0.00 0.00 57.88 57.80 1q85 h LEU 73 Cb 0.00 -0.23 0.00 0.00 0.09 0.00 0.00 40.66 40.52 1q85 h LEU 73 CO 0.00 0.86 0.06 -0.09 0.09 0.00 0.00 178.44 179.36 1q85 h ARG 74 N 0.89 0.00 -0.01 1.13 2.43 -1.14 0.86 114.38 118.54 1q85 h ARG 74 Ca 0.19 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.36 1q85 h ARG 74 Cb 0.34 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 29.89 1q85 h ARG 74 CO 0.00 0.00 -0.03 1.63 -1.51 0.00 0.00 179.97 180.06 1q85 n LYS 75 N -2.96 1.15 0.00 0.20 5.02 -0.88 -3.47 118.16 117.22 1q85 n LYS 75 Ca -0.03 -0.40 0.00 0.00 -2.02 0.00 0.00 58.31 55.86 1q85 n LYS 75 Cb 0.13 -1.49 0.00 0.00 -0.02 0.00 0.00 35.03 33.64 1q85 n LYS 75 CO 0.00 0.00 0.00 0.72 -0.52 0.00 0.00 177.40 177.60 1q85 n HIS 76 N -0.58 0.00 -2.86 2.13 8.25 0.18 -5.01 115.22 117.33 1q85 n HIS 76 Ca 0.20 -0.16 -0.10 0.00 -0.26 0.00 0.00 57.72 57.40 1q85 n HIS 76 Cb 0.24 -0.02 0.04 0.00 1.12 0.00 0.00 29.99 31.38 1q85 n HIS 76 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1q85 n GLY 77 N -0.16 0.16 0.00 -1.41 0.00 -0.85 -4.96 105.19 97.97 1q85 n GLY 77 Ca 0.00 -0.22 0.00 0.00 0.00 0.00 0.00 46.02 45.80 1q85 n GLY 77 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1q85 n LEU 78 N -2.57 0.80 -0.34 0.99 7.99 -0.50 -4.86 117.00 118.50 1q85 n LEU 78 Ca -0.06 -0.80 0.23 0.00 -0.01 0.00 0.00 56.01 55.38 1q85 n LEU 78 Cb 0.55 0.00 0.50 0.00 -0.11 0.00 0.00 43.42 44.37 1q85 n LEU 78 CO 0.30 0.20 1.21 -0.08 -1.51 0.00 0.00 177.39 177.51 1q85 h GLU 79 N 0.00 0.38 0.00 3.23 4.81 -1.86 0.43 114.58 121.57 1q85 h GLU 79 Ca 0.00 -0.02 0.00 0.00 -0.13 0.00 0.00 59.36 59.21 1q85 h GLU 79 Cb 0.39 -0.08 0.00 0.00 0.63 0.00 0.00 28.75 29.68 1q85 h GLU 79 CO 0.00 0.25 0.00 -0.40 -0.73 0.00 0.00 179.01 178.13 1q85 n ASP 80 N -4.68 0.00 -1.23 1.04 3.85 -1.26 -2.74 116.55 111.53 1q85 n ASP 80 Ca 0.27 0.16 0.11 0.00 -0.71 0.00 0.00 54.79 54.62 1q85 n ASP 80 Cb 0.91 -0.38 0.29 0.00 -1.35 0.00 0.00 41.12 40.59 1q85 n ASP 80 CO 0.00 0.00 0.00 0.29 -1.01 0.00 0.00 177.20 176.48 1q85 n LYS 81 N -1.38 2.55 -0.05 0.11 4.76 0.15 -4.57 118.16 119.73 1q85 n LYS 81 Ca 0.10 -2.40 -0.08 0.00 -2.87 0.00 0.00 58.31 53.06 1q85 n LYS 81 Cb 0.26 -1.53 -0.02 0.00 -1.84 0.00 0.00 35.03 31.91 1q85 n LYS 81 CO 0.00 0.00 0.00 1.25 -1.37 0.00 0.00 177.40 177.28 1q85 h LEU 82 N 4.04 -0.42 -0.44 -0.35 7.12 -1.50 -1.50 115.31 122.26 1q85 h LEU 82 Ca 0.00 0.10 -0.01 0.00 0.13 0.00 0.00 57.88 58.09 1q85 h LEU 82 Cb 0.92 0.23 -0.02 0.00 -0.53 0.00 0.00 40.66 41.25 1q85 h LEU 82 CO 0.00 -0.16 0.21 -0.78 -0.13 0.00 0.00 178.44 177.58 1q85 h ASP 83 N -0.10 0.56 0.78 1.25 3.58 -1.86 -2.58 116.42 118.05 1q85 h ASP 83 Ca 0.13 -0.12 -0.04 0.00 0.42 0.00 0.00 57.03 57.42 1q85 h ASP 83 Cb 0.30 -0.14 0.01 0.00 1.72 0.00 0.00 39.33 41.21 1q85 h ASP 83 CO -0.30 0.53 -0.38 -0.65 -2.88 0.00 0.00 179.24 175.56 1q85 h PRO 84 N 0.56 -1.01 -0.85 0.28 0.11 -1.84 -1.66 132.00 127.59 1q85 h PRO 84 Ca 0.15 0.07 0.21 0.00 0.11 0.00 0.00 66.00 66.54 1q85 h PRO 84 Cb 0.11 0.23 -0.15 0.00 0.11 0.00 0.00 31.00 31.30 1q85 h PRO 84 CO -0.02 -0.67 0.01 0.82 -0.21 0.00 0.00 178.00 177.92 1q85 h ILE 85 N -1.23 0.22 0.07 4.15 2.04 -1.33 0.82 117.51 122.26 1q85 h ILE 85 Ca -0.11 -0.03 -0.00 0.00 1.00 0.00 0.00 64.86 65.72 1q85 h ILE 85 Cb 0.81 0.14 0.00 0.00 -0.74 0.00 0.00 36.82 37.02 1q85 h ILE 85 CO 0.18 0.01 -0.03 0.58 0.00 0.00 0.00 178.15 178.89 1q85 h VAL 86 N 0.08 1.22 -1.00 1.67 2.07 -1.48 -2.34 116.25 116.46 1q85 h VAL 86 Ca 0.48 -1.29 0.02 0.00 0.82 0.00 0.00 66.70 66.72 1q85 h VAL 86 Cb 0.89 2.02 -0.05 0.00 -1.52 0.00 0.00 31.29 32.64 1q85 h VAL 86 CO -0.77 0.31 0.66 0.03 0.02 0.00 0.00 177.57 177.82 1q85 h ARG 87 N -0.71 1.29 -0.12 1.57 3.08 -0.91 -1.88 114.38 116.69 1q85 h ARG 87 Ca -0.01 -0.08 -0.11 0.00 0.07 0.00 0.00 59.98 59.85 1q85 h ARG 87 Cb 0.58 -0.29 -0.01 0.00 0.08 0.00 0.00 29.97 30.32 1q85 h ARG 87 CO 0.02 0.85 -0.43 -0.91 -1.07 0.00 0.00 179.97 178.43 1q85 h ASN 88 N 1.33 0.30 -0.25 7.04 2.35 -0.93 -2.46 115.58 122.96 1q85 h ASN 88 Ca 0.38 -0.13 -0.03 0.00 -0.55 0.00 0.00 56.30 55.97 1q85 h ASN 88 Cb -0.11 -0.08 -0.01 0.00 0.05 0.00 0.00 38.32 38.16 1q85 h ASN 88 CO -0.09 0.70 0.05 0.00 -1.65 0.00 0.00 177.43 176.44 1q85 h ALA 89 N 1.32 0.33 0.00 -0.83 0.00 -0.79 0.36 119.26 119.65 1q85 h ALA 89 Ca 0.02 -0.17 -0.04 0.00 0.00 0.00 0.00 54.91 54.72 1q85 h ALA 89 Cb 0.86 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.55 1q85 h ALA 89 CO 0.07 -0.00 -0.19 0.28 0.00 0.00 0.00 179.25 179.41 1q85 h VAL 90 N 0.22 0.66 0.03 0.00 2.07 -1.34 -0.90 116.25 117.00 1q85 h VAL 90 Ca 0.08 -0.83 -0.00 0.00 0.82 0.00 0.00 66.70 66.77 1q85 h VAL 90 Cb 0.31 1.53 0.00 0.00 -1.52 0.00 0.00 31.29 31.60 1q85 h VAL 90 CO 0.00 0.19 -0.02 0.03 0.02 0.00 0.00 177.57 177.79 1q85 h ARG 91 N 0.00 -0.04 -0.53 1.57 3.08 -0.95 -2.32 114.38 115.19 1q85 h ARG 91 Ca -0.00 0.00 0.07 0.00 0.07 0.00 0.00 59.98 60.12 1q85 h ARG 91 Cb 0.51 0.01 -0.06 0.00 0.08 0.00 0.00 29.97 30.51 1q85 h ARG 91 CO 0.02 0.53 0.21 0.82 -1.07 0.00 0.00 179.97 180.49 1q85 h ILE 92 N -0.96 0.85 -0.35 2.04 2.04 -0.20 -1.47 117.51 119.47 1q85 h ILE 92 Ca -0.00 -0.14 -0.02 0.00 1.00 0.00 0.00 64.86 65.69 1q85 h ILE 92 Cb 0.59 0.41 -0.02 0.00 -0.74 0.00 0.00 36.82 37.07 1q85 h ILE 92 CO 0.01 0.07 0.13 0.00 0.00 0.00 0.00 178.15 178.37 1q85 h ALA 93 N 1.33 0.46 0.00 1.87 0.00 -1.29 -2.72 119.26 118.91 1q85 h ALA 93 Ca 0.25 -0.14 -0.03 0.00 0.00 0.00 0.00 54.91 54.99 1q85 h ALA 93 Cb 0.25 -0.14 -0.00 0.00 0.00 0.00 0.00 17.79 17.90 1q85 h ALA 93 CO -0.23 0.07 -0.14 -0.09 0.00 0.00 0.00 179.25 178.85 1q85 h ARG 94 N 0.42 0.00 0.00 0.00 2.43 -1.01 -0.08 114.38 116.14 1q85 h ARG 94 Ca 0.12 0.00 -0.11 0.00 -0.81 0.00 0.00 59.98 59.18 1q85 h ARG 94 Cb 0.20 0.00 -0.02 0.00 -0.42 0.00 0.00 29.97 29.74 1q85 h ARG 94 CO -0.01 0.14 -0.51 -0.09 -1.51 0.00 0.00 179.97 178.00 1q85 h ARG 95 N 0.00 0.00 0.09 0.20 9.65 -0.98 -2.72 114.38 120.62 1q85 h ARG 95 Ca -0.00 0.00 -0.31 0.00 -1.10 0.00 0.00 59.98 58.57 1q85 h ARG 95 Cb 0.39 0.00 -0.02 0.00 -1.39 0.00 0.00 29.97 28.95 1q85 h ARG 95 CO 0.02 0.51 -1.67 0.00 2.80 0.00 0.00 179.97 181.63 1q85 h ALA 96 N 1.49 0.44 -0.29 2.80 0.00 -1.11 -3.38 119.26 119.21 1q85 h ALA 96 Ca -0.01 -1.26 -0.16 0.00 0.00 0.00 0.00 54.91 53.48 1q85 h ALA 96 Cb 1.16 0.42 -0.00 0.00 0.00 0.00 0.00 17.79 19.37 1q85 h ALA 96 CO 0.07 1.30 -0.44 0.00 0.00 0.00 0.00 179.25 180.17 1q85 h ALA 97 N 0.54 0.45 -0.61 0.00 0.00 -1.05 -3.46 119.26 115.13 1q85 h ALA 97 Ca -0.29 -0.47 0.00 0.00 0.00 0.00 0.00 54.91 54.15 1q85 h ALA 97 Cb 2.01 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 19.72 1q85 h ALA 97 CO 0.12 0.59 0.00 0.41 0.00 0.00 0.00 179.25 180.37 1q85 n GLY 98 N 0.30 1.06 0.24 0.00 0.00 -1.03 -1.52 105.19 104.24 1q85 n GLY 98 Ca -0.04 0.33 0.10 0.00 0.00 0.00 0.00 46.02 46.41 1q85 n GLY 98 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 1q85 n GLU 99 N 0.00 0.60 -1.93 1.61 4.07 -1.26 -4.96 120.64 118.77 1q85 n GLU 99 Ca 0.00 -0.48 -0.31 0.00 -0.06 0.00 0.00 57.16 56.31 1q85 n GLU 99 Cb 0.00 -1.48 0.01 0.00 -0.06 0.00 0.00 31.44 29.91 1q85 n GLU 99 CO 0.00 0.00 0.00 0.15 -0.06 0.00 0.00 177.13 177.22 1q85 s LYS 100 N -2.74 3.45 0.35 5.31 -0.14 -0.57 -5.02 119.74 120.37 1q85 s LYS 100 Ca 0.13 0.92 -0.27 0.00 -1.36 0.00 0.00 55.97 55.39 1q85 s LYS 100 Cb 0.17 -2.06 -0.09 0.00 -1.68 0.00 0.00 37.83 34.17 1q85 s LYS 100 CO 0.72 -0.69 1.16 -0.51 -0.76 0.00 0.00 175.35 175.28 1q85 s LEU 101 N -4.94 4.34 -0.17 3.17 1.43 -0.68 -4.86 118.68 116.97 1q85 s LEU 101 Ca 0.58 2.36 0.01 0.00 -1.03 0.00 0.00 54.13 56.04 1q85 s LEU 101 Cb -0.12 -3.85 0.03 0.00 0.03 0.00 0.00 46.19 42.28 1q85 s LEU 101 CO 0.47 -0.47 -0.13 -0.69 0.23 0.00 0.00 176.35 175.76 1q85 s VAL 102 N -1.31 1.63 -0.13 -1.59 1.01 -1.26 -1.71 120.40 117.04 1q85 s VAL 102 Ca 0.52 -0.80 -0.03 0.00 0.00 0.00 0.00 61.98 61.67 1q85 s VAL 102 Cb -0.32 -1.59 -0.03 0.00 0.00 0.00 0.00 36.38 34.44 1q85 s VAL 102 CO 0.41 0.35 -0.00 -0.36 0.00 0.00 0.00 175.10 175.49 1q85 s PHE 103 N 1.44 3.12 0.12 5.22 2.99 -0.82 -0.24 117.98 129.81 1q85 s PHE 103 Ca 0.03 -0.00 -0.31 0.00 0.00 0.00 0.00 56.93 56.65 1q85 s PHE 103 Cb -0.14 -1.89 -0.07 0.00 0.00 0.00 0.00 43.02 40.91 1q85 s PHE 103 CO -0.10 0.24 1.31 0.20 -0.00 0.00 0.00 175.22 176.86 1q85 s GLY 104 N -0.24 2.23 -0.30 4.36 0.00 0.17 -1.71 107.32 111.84 1q85 s GLY 104 Ca 0.05 1.02 -0.09 0.00 0.00 0.00 0.00 44.72 45.70 1q85 s GLY 104 CO 0.02 2.17 0.14 -0.35 0.00 0.00 0.00 173.10 175.08 1q85 s ASP 105 N 0.89 5.53 -0.13 1.64 2.15 -1.26 -0.54 116.67 124.95 1q85 s ASP 105 Ca 0.61 -0.42 0.01 0.00 0.43 0.00 0.00 52.55 53.18 1q85 s ASP 105 Cb -0.34 -2.00 0.02 0.00 -0.30 0.00 0.00 42.92 40.29 1q85 s ASP 105 CO 0.32 -0.15 -0.16 -0.63 -0.17 0.00 0.00 175.17 174.38 1q85 s ILE 106 N 1.63 1.58 0.52 4.11 1.01 -0.50 -3.08 121.20 126.47 1q85 s ILE 106 Ca 0.05 -0.67 0.09 0.00 0.00 0.00 0.00 60.65 60.12 1q85 s ILE 106 Cb -0.17 -1.45 0.05 0.00 0.01 0.00 0.00 42.46 40.90 1q85 s ILE 106 CO 0.06 0.46 0.67 -0.83 0.00 0.00 0.00 174.94 175.30 1q85 s GLY 107 N 1.15 1.87 0.81 6.18 0.00 -0.10 -1.58 107.32 115.65 1q85 s GLY 107 Ca -0.03 -1.92 -0.11 0.00 0.00 0.00 0.00 44.72 42.66 1q85 s GLY 107 CO -0.05 -1.65 1.09 2.56 0.00 0.00 0.00 173.10 175.05 1q85 s PRO 108 N -4.51 1.95 0.32 2.90 0.04 -1.26 -4.91 135.00 129.54 1q85 s PRO 108 Ca 0.57 0.93 0.23 0.00 0.04 0.00 0.00 61.00 62.77 1q85 s PRO 108 Cb -0.07 -1.88 0.33 0.00 0.04 0.00 0.00 34.50 32.92 1q85 s PRO 108 CO 0.35 -1.79 1.47 1.79 0.04 0.00 0.00 177.00 178.87 1q85 h THR 109 N -1.22 0.00 0.00 1.26 1.35 -1.98 -3.47 112.91 108.84 1q85 h THR 109 Ca -0.46 -0.88 0.00 0.00 -0.55 0.00 0.00 66.41 64.52 1q85 h THR 109 Cb 1.25 1.72 0.00 0.00 -1.73 0.00 0.00 68.15 69.39 1q85 h THR 109 CO 0.55 0.00 0.00 0.61 -0.25 0.00 0.00 175.52 176.43 1q85 n GLY 110 N 1.17 0.76 3.49 5.82 0.00 -1.26 -4.57 105.19 110.61 1q85 n GLY 110 Ca 0.03 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.71 1q85 n GLY 110 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1q85 s GLU 111 N -0.47 3.70 0.49 1.61 0.41 -1.26 -5.10 118.70 118.08 1q85 s GLU 111 Ca 0.00 -0.49 -0.19 0.00 -0.41 0.00 0.00 54.97 53.89 1q85 s GLU 111 Cb 0.00 -3.07 -0.09 0.00 -1.78 0.00 0.00 34.13 29.20 1q85 s GLU 111 CO 0.00 0.12 0.99 -0.51 -0.49 0.00 0.00 175.26 175.36 1q85 s LEU 112 N 0.73 3.75 0.46 1.80 1.43 -1.26 -5.00 118.68 120.60 1q85 s LEU 112 Ca 0.00 1.69 -0.21 0.00 -1.03 0.00 0.00 54.13 54.58 1q85 s LEU 112 Cb -0.14 -4.53 -0.09 0.00 0.03 0.00 0.00 46.19 41.46 1q85 s LEU 112 CO 0.02 -0.60 1.02 -2.16 0.23 0.00 0.00 176.35 174.86 1q85 s PRO 113 N -3.63 3.96 0.41 1.29 0.04 -1.26 -3.33 135.00 132.48 1q85 s PRO 113 Ca 0.62 1.35 -0.26 0.00 0.04 0.00 0.00 61.00 62.74 1q85 s PRO 113 Cb -0.11 -2.21 -0.10 0.00 0.04 0.00 0.00 34.50 32.12 1q85 s PRO 113 CO 0.24 -0.29 1.35 0.98 0.04 0.00 0.00 177.00 179.32 1q85 n TYR 114 N -0.70 2.44 1.30 0.56 9.36 0.14 -0.78 117.16 129.48 1q85 n TYR 114 Ca 0.08 0.48 0.10 0.00 3.32 0.00 0.00 57.90 61.88 1q85 n TYR 114 Cb 0.52 -2.43 0.37 0.00 -0.63 0.00 0.00 39.34 37.18 1q85 n TYR 114 CO 0.00 0.00 0.00 -0.35 0.22 0.00 0.00 176.86 176.73 1q85 n PRO 115 N 0.11 1.64 0.09 2.98 -0.04 -1.26 -4.56 135.00 133.96 1q85 n PRO 115 Ca 0.05 -0.97 -0.17 0.00 -0.04 0.00 0.00 63.50 62.38 1q85 n PRO 115 Cb 0.39 -1.37 -0.10 0.00 -0.04 0.00 0.00 33.50 32.39 1q85 n PRO 115 CO 0.00 0.00 0.00 -0.07 -0.04 0.00 0.00 175.50 175.39 1q85 h LEU 116 N 1.92 0.59 0.00 1.53 3.38 -1.27 -3.46 115.31 118.00 1q85 h LEU 116 Ca 0.00 -0.54 0.00 0.00 0.09 0.00 0.00 57.88 57.43 1q85 h LEU 116 Cb 0.42 -0.19 0.00 0.00 0.09 0.00 0.00 40.66 40.99 1q85 h LEU 116 CO 0.00 1.38 0.00 0.61 0.09 0.00 0.00 178.44 180.52 1q85 n GLY 117 N 1.26 6.10 0.07 0.83 0.00 -0.07 -4.90 105.19 108.47 1q85 n GLY 117 Ca -0.09 -1.95 0.01 0.00 0.00 0.00 0.00 46.02 43.99 1q85 n GLY 117 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1q85 n SER 118 N 0.00 1.08 -4.76 1.61 3.41 -1.24 -3.80 113.62 109.92 1q85 n SER 118 Ca 0.00 -1.04 -0.40 0.00 -0.26 0.00 0.00 58.87 57.18 1q85 n SER 118 Cb 0.00 0.07 -0.05 0.00 -0.26 0.00 0.00 64.21 63.96 1q85 n SER 118 CO 0.00 0.00 0.00 -0.89 -0.16 0.00 0.00 175.04 173.99 1q85 s THR 119 N -0.22 4.68 0.19 6.66 2.01 -1.25 -4.68 115.64 123.03 1q85 s THR 119 Ca 0.02 1.58 0.01 0.00 0.31 0.00 0.00 61.69 63.61 1q85 s THR 119 Cb 0.01 -4.09 -0.04 0.00 0.01 0.00 0.00 72.50 68.40 1q85 s THR 119 CO 0.03 0.41 0.35 -0.76 -0.69 0.00 0.00 174.62 173.95 1q85 s LEU 120 N -0.34 4.27 0.26 4.42 1.43 -1.26 0.27 118.68 127.73 1q85 s LEU 120 Ca 0.37 0.28 -0.06 0.00 -1.03 0.00 0.00 54.13 53.68 1q85 s LEU 120 Cb -0.21 -3.04 0.47 0.00 0.03 0.00 0.00 46.19 43.44 1q85 s LEU 120 CO 0.23 -0.01 1.62 0.15 0.23 0.00 0.00 176.35 178.56 1q85 h PHE 121 N 1.95 -0.13 -0.99 0.29 3.57 -1.93 -1.48 116.94 118.22 1q85 h PHE 121 Ca -0.49 0.06 0.17 0.00 3.53 0.00 0.00 57.97 61.24 1q85 h PHE 121 Cb 1.20 0.19 -0.10 0.00 2.79 0.00 0.00 35.95 40.02 1q85 h PHE 121 CO 0.53 -0.29 0.60 1.05 -2.23 0.00 0.00 178.31 177.97 1q85 h GLU 122 N 0.07 0.79 -0.10 1.11 4.11 -1.98 -0.82 114.58 117.76 1q85 h GLU 122 Ca 0.44 -0.05 -0.22 0.00 0.07 0.00 0.00 59.36 59.60 1q85 h GLU 122 Cb 0.78 -0.18 0.01 0.00 0.50 0.00 0.00 28.75 29.86 1q85 h GLU 122 CO -0.74 0.52 -0.82 1.49 0.07 0.00 0.00 179.01 179.53 1q85 h GLU 123 N 0.82 0.64 -0.44 1.06 4.81 -1.67 -2.47 114.58 117.32 1q85 h GLU 123 Ca 0.55 -0.56 -0.00 0.00 -0.13 0.00 0.00 59.36 59.21 1q85 h GLU 123 Cb 0.76 0.13 -0.02 0.00 0.63 0.00 0.00 28.75 30.25 1q85 h GLU 123 CO -0.35 1.18 0.27 0.74 -0.73 0.00 0.00 179.01 180.12 1q85 h PHE 124 N 0.42 0.57 -0.35 0.92 0.05 -1.15 -1.92 116.94 115.48 1q85 h PHE 124 Ca -0.06 0.00 0.01 0.00 3.82 0.00 0.00 57.97 61.75 1q85 h PHE 124 Cb 1.44 -0.19 -0.02 0.00 2.00 0.00 0.00 35.95 39.18 1q85 h PHE 124 CO 0.07 0.40 0.20 -0.92 -0.18 0.00 0.00 178.31 177.88 1q85 h TYR 125 N 0.58 0.38 -0.29 -0.55 5.03 -1.15 -1.36 116.97 119.61 1q85 h TYR 125 Ca 0.16 0.01 -0.12 0.00 2.58 0.00 0.00 58.73 61.36 1q85 h TYR 125 Cb -0.01 -0.12 -0.01 0.00 1.55 0.00 0.00 36.73 38.13 1q85 h TYR 125 CO -0.03 0.22 -0.31 1.49 -1.32 0.00 0.00 178.16 178.21 1q85 h GLU 126 N 0.41 0.60 0.00 1.82 4.57 -1.38 -0.69 114.58 119.92 1q85 h GLU 126 Ca 0.14 -0.26 0.00 0.00 -1.18 0.00 0.00 59.36 58.06 1q85 h GLU 126 Cb 0.00 -0.02 -0.00 0.00 -0.16 0.00 0.00 28.75 28.57 1q85 h GLU 126 CO -0.06 0.84 -0.02 -0.97 -1.18 0.00 0.00 179.01 177.61 1q85 h ASN 127 N 0.52 -0.06 0.79 1.04 -0.73 -1.08 -2.42 115.58 113.63 1q85 h ASN 127 Ca 0.06 0.01 -0.12 0.00 1.87 0.00 0.00 56.30 58.12 1q85 h ASN 127 Cb 0.79 0.02 -0.02 0.00 0.27 0.00 0.00 38.32 39.39 1q85 h ASN 127 CO 0.06 -0.03 -0.55 -0.26 -0.37 0.00 0.00 177.43 176.28 1q85 h PHE 128 N -0.04 0.00 -0.72 0.67 0.05 -1.15 -3.20 116.94 112.56 1q85 h PHE 128 Ca 0.01 0.00 -0.00 0.00 3.82 0.00 0.00 57.97 61.80 1q85 h PHE 128 Cb 0.05 0.00 -0.03 0.00 2.00 0.00 0.00 35.95 37.96 1q85 h PHE 128 CO -0.10 0.55 0.44 -0.09 -0.18 0.00 0.00 178.31 178.94 1q85 h ARG 129 N 0.00 0.97 -0.40 1.51 2.43 -0.86 -2.16 114.38 115.86 1q85 h ARG 129 Ca -0.01 -0.08 -0.16 0.00 -0.81 0.00 0.00 59.98 58.93 1q85 h ARG 129 Cb 1.10 -0.21 -0.01 0.00 -0.42 0.00 0.00 29.97 30.43 1q85 h ARG 129 CO 0.07 0.68 -0.35 0.93 -1.51 0.00 0.00 179.97 179.79 1q85 h GLU 130 N 0.98 0.95 -0.40 0.20 5.08 -1.43 -2.07 114.58 117.89 1q85 h GLU 130 Ca 0.26 -0.48 -0.14 0.00 -1.00 0.00 0.00 59.36 58.00 1q85 h GLU 130 Cb -0.05 0.01 -0.01 0.00 0.50 0.00 0.00 28.75 29.20 1q85 h GLU 130 CO -0.05 1.14 -0.31 1.15 -1.00 0.00 0.00 179.01 179.94 1q85 h THR 131 N 0.78 1.27 -0.54 1.13 2.02 -1.58 -3.09 112.91 112.90 1q85 h THR 131 Ca 0.07 -1.47 -0.09 0.00 0.77 0.00 0.00 66.41 65.69 1q85 h THR 131 Cb 0.95 1.29 -0.02 0.00 -1.74 0.00 0.00 68.15 68.63 1q85 h THR 131 CO 0.09 0.49 -0.03 0.58 0.37 0.00 0.00 175.52 177.03 1q85 h VAL 132 N 0.75 1.26 -0.40 3.16 2.07 -1.34 -3.12 116.25 118.62 1q85 h VAL 132 Ca 0.08 -1.13 0.08 0.00 0.82 0.00 0.00 66.70 66.55 1q85 h VAL 132 Cb 0.88 0.88 -0.07 0.00 -1.52 0.00 0.00 31.29 31.46 1q85 h VAL 132 CO 0.08 0.40 -0.03 -0.33 0.02 0.00 0.00 177.57 177.71 1q85 h GLU 133 N 0.86 0.07 0.00 1.57 5.08 -1.30 -0.75 114.58 120.11 1q85 h GLU 133 Ca 0.15 -0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.51 1q85 h GLU 133 Cb 0.55 -0.02 0.00 0.00 0.50 0.00 0.00 28.75 29.78 1q85 h GLU 133 CO 0.03 0.05 0.00 -0.89 -1.00 0.00 0.00 179.01 177.20 1q85 n ILE 134 N -5.23 0.00 0.00 3.13 5.41 -1.18 -1.66 119.36 119.83 1q85 n ILE 134 Ca 0.03 0.00 0.00 0.00 1.00 0.00 0.00 62.75 63.78 1q85 n ILE 134 Cb 0.22 -0.00 0.00 0.00 -0.71 0.00 0.00 39.64 39.15 1q85 n ILE 134 CO 0.00 0.00 0.00 0.52 0.00 0.00 0.00 176.55 177.07 1q85 n VAL 136 N 0.49 0.00 -0.28 1.39 0.31 -0.29 -0.30 118.33 119.65 1q85 n VAL 136 Ca 0.00 0.00 -0.06 0.00 -0.01 0.00 0.00 64.34 64.27 1q85 n VAL 136 Cb 0.00 0.00 0.07 0.00 -0.91 0.00 0.00 33.84 33.00 1q85 n VAL 136 CO 0.00 0.00 0.00 -0.33 -1.32 0.00 0.00 176.83 175.18 1q85 h GLU 137 N 0.00 1.18 0.00 5.55 5.08 -1.56 -1.70 114.58 123.12 1q85 h GLU 137 Ca 0.00 -0.22 0.00 0.00 -1.00 0.00 0.00 59.36 58.14 1q85 h GLU 137 Cb 0.00 -0.19 0.00 0.00 0.50 0.00 0.00 28.75 29.06 1q85 h GLU 137 CO 0.00 0.96 0.00 0.39 -1.00 0.00 0.00 179.01 179.36 1q85 n GLU 138 N -4.27 0.99 -2.12 2.33 -0.58 0.59 -4.96 120.64 112.62 1q85 n GLU 138 Ca 0.07 0.00 -0.03 0.00 -0.42 0.00 0.00 57.16 56.78 1q85 n GLU 138 Cb 0.19 -1.43 0.00 0.00 -0.57 0.00 0.00 31.44 29.63 1q85 n GLU 138 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 1q85 n GLY 139 N 0.92 -1.83 3.81 0.62 0.00 -0.64 -4.89 105.19 103.19 1q85 n GLY 139 Ca 0.21 0.40 -0.22 0.00 0.00 0.00 0.00 46.02 46.41 1q85 n GLY 139 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1q85 s VAL 140 N -1.44 4.17 -2.53 1.61 -7.23 -1.26 -5.00 120.40 108.71 1q85 s VAL 140 Ca 0.08 -1.46 0.23 0.00 -1.81 0.00 0.00 61.98 59.02 1q85 s VAL 140 Cb -0.02 -3.30 0.40 0.00 0.56 0.00 0.00 36.38 34.02 1q85 s VAL 140 CO 0.37 -0.32 1.41 0.47 -0.31 0.00 0.00 175.10 176.71 1q85 n ASP 141 N -1.17 3.19 0.00 4.85 10.43 0.66 -4.48 116.55 130.03 1q85 n ASP 141 Ca -0.07 -1.96 0.00 0.00 2.57 0.00 0.00 54.79 55.33 1q85 n ASP 141 Cb 0.58 -0.20 0.00 0.00 1.84 0.00 0.00 41.12 43.34 1q85 n ASP 141 CO 0.00 0.00 0.00 0.61 -1.07 0.00 0.00 177.20 176.74 1q85 n GLY 142 N 1.45 0.88 2.83 0.44 0.00 -1.23 -4.30 105.19 105.25 1q85 n GLY 142 Ca 0.18 -0.99 -0.17 0.00 0.00 0.00 0.00 46.02 45.05 1q85 n GLY 142 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1q85 s ILE 143 N -2.00 0.17 -0.10 -0.61 1.01 -0.42 0.42 121.20 119.67 1q85 s ILE 143 Ca 0.00 0.07 0.03 0.00 0.00 0.00 0.00 60.65 60.75 1q85 s ILE 143 Cb 0.00 -0.25 0.01 0.00 0.01 0.00 0.00 42.46 42.22 1q85 s ILE 143 CO 0.00 0.13 -0.20 -0.51 0.00 0.00 0.00 174.94 174.36 1q85 s ILE 144 N 0.91 1.82 -0.56 2.92 2.07 0.30 -1.14 121.20 127.53 1q85 s ILE 144 Ca -0.09 -0.86 -0.18 0.00 -1.41 0.00 0.00 60.65 58.11 1q85 s ILE 144 Cb -0.12 -1.60 0.11 0.00 0.13 0.00 0.00 42.46 40.97 1q85 s ILE 144 CO -0.02 0.51 0.60 -0.36 -1.91 0.00 0.00 174.94 173.76 1q85 s PHE 145 N 0.61 3.11 0.20 3.50 0.40 -0.19 -1.40 117.98 124.20 1q85 s PHE 145 Ca -0.14 -1.03 -0.06 0.00 -0.60 0.00 0.00 56.93 55.10 1q85 s PHE 145 Cb -0.17 -3.82 -0.06 0.00 0.51 0.00 0.00 43.02 39.49 1q85 s PHE 145 CO 0.04 -1.13 0.46 -1.21 0.70 0.00 0.00 175.22 174.08 1q85 s GLU 146 N 2.21 3.66 -1.58 0.44 2.02 -0.61 -0.91 118.70 123.93 1q85 s GLU 146 Ca 0.08 0.00 -0.02 0.00 0.02 0.00 0.00 54.97 55.05 1q85 s GLU 146 Cb -0.26 -2.75 0.01 0.00 0.10 0.00 0.00 34.13 31.22 1q85 s GLU 146 CO 0.06 0.37 0.23 2.41 0.02 0.00 0.00 175.26 178.35 1q85 n THR 147 N -0.23 -1.27 -2.54 3.63 -1.04 -1.26 -4.01 114.28 107.56 1q85 n THR 147 Ca -0.02 0.00 -0.40 0.00 -2.04 0.00 0.00 64.05 61.60 1q85 n THR 147 Cb 0.52 -2.89 -0.05 0.00 -1.82 0.00 0.00 70.33 66.09 1q85 n THR 147 CO 0.00 0.00 0.00 -0.36 -0.64 0.00 0.00 175.07 174.07 1q85 s PHE 148 N -3.02 3.61 -0.31 -1.42 0.40 -1.09 -4.62 117.98 111.53 1q85 s PHE 148 Ca 0.13 1.73 0.08 0.00 -0.60 0.00 0.00 56.93 58.27 1q85 s PHE 148 Cb -0.06 -3.20 -0.09 0.00 0.51 0.00 0.00 43.02 40.18 1q85 s PHE 148 CO 0.16 -0.37 0.31 0.43 0.70 0.00 0.00 175.22 176.45 1q85 n SER 149 N 1.05 0.83 -3.97 1.36 7.64 -1.26 -1.09 113.62 118.17 1q85 n SER 149 Ca -0.00 -0.57 -0.20 0.00 1.01 0.00 0.00 58.87 59.10 1q85 n SER 149 Cb 0.46 1.06 -0.16 0.00 -1.01 0.00 0.00 64.21 64.56 1q85 n SER 149 CO 0.00 0.00 0.00 -0.62 -3.01 0.00 0.00 175.04 171.41 1q85 s ASP 150 N -1.94 1.10 0.38 6.43 2.15 -1.26 -2.93 116.67 120.60 1q85 s ASP 150 Ca 0.02 -0.17 0.20 0.00 0.43 0.00 0.00 52.55 53.03 1q85 s ASP 150 Cb 0.06 -0.35 0.71 0.00 -0.30 0.00 0.00 42.92 43.04 1q85 s ASP 150 CO 0.33 0.04 1.74 0.16 -0.17 0.00 0.00 175.17 177.27 1q85 h ILE 151 N 5.56 0.82 -0.15 4.11 3.07 -1.95 -2.40 117.51 126.57 1q85 h ILE 151 Ca -0.34 -1.46 -0.17 0.00 1.55 0.00 0.00 64.86 64.44 1q85 h ILE 151 Cb 1.17 1.91 0.01 0.00 -0.27 0.00 0.00 36.82 39.63 1q85 h ILE 151 CO 0.49 0.34 -0.57 0.25 -1.05 0.00 0.00 178.15 177.61 1q85 h LEU 152 N 0.00 0.76 -0.76 0.16 5.85 -1.92 0.17 115.31 119.57 1q85 h LEU 152 Ca -0.00 -0.61 -0.05 0.00 0.84 0.00 0.00 57.88 58.05 1q85 h LEU 152 Cb 0.88 -0.22 -0.03 0.00 0.37 0.00 0.00 40.66 41.65 1q85 h LEU 152 CO 0.05 1.25 0.27 -0.08 -0.34 0.00 0.00 178.44 179.59 1q85 h GLU 153 N 0.33 1.15 -0.26 1.25 4.81 -1.95 -0.86 114.58 119.05 1q85 h GLU 153 Ca -0.03 -0.23 -0.17 0.00 -0.13 0.00 0.00 59.36 58.81 1q85 h GLU 153 Cb 1.20 -0.18 -0.00 0.00 0.63 0.00 0.00 28.75 30.40 1q85 h GLU 153 CO 0.12 0.95 -0.52 1.25 -0.73 0.00 0.00 179.01 180.09 1q85 h LEU 154 N 1.11 0.82 -0.88 1.64 5.85 -1.41 -1.61 115.31 120.83 1q85 h LEU 154 Ca 0.25 -0.43 -0.03 0.00 0.84 0.00 0.00 57.88 58.51 1q85 h LEU 154 Cb 0.26 -0.23 -0.04 0.00 0.37 0.00 0.00 40.66 41.01 1q85 h LEU 154 CO -0.02 1.19 0.40 0.50 -0.34 0.00 0.00 178.44 180.18 1q85 h LYS 155 N 0.58 1.21 -0.51 1.25 3.64 -0.34 -1.61 116.57 120.79 1q85 h LYS 155 Ca 0.02 -0.18 -0.06 0.00 -1.27 0.00 0.00 60.65 59.17 1q85 h LYS 155 Cb 1.09 -0.22 -0.02 0.00 -0.41 0.00 0.00 32.23 32.68 1q85 h LYS 155 CO 0.11 0.93 0.10 0.00 -2.27 0.00 0.00 179.45 178.32 1q85 h ALA 156 N 1.24 0.68 -0.44 5.00 0.00 -0.91 -1.25 119.26 123.58 1q85 h ALA 156 Ca 0.29 -0.23 0.01 0.00 0.00 0.00 0.00 54.91 54.98 1q85 h ALA 156 Cb 0.12 -0.19 -0.02 0.00 0.00 0.00 0.00 17.79 17.69 1q85 h ALA 156 CO -0.04 0.40 0.28 0.00 0.00 0.00 0.00 179.25 179.89 1q85 h ALA 157 N 0.99 0.56 -0.21 0.00 0.00 -0.90 -1.02 119.26 118.67 1q85 h ALA 157 Ca 0.16 -0.02 -0.20 0.00 0.00 0.00 0.00 54.91 54.85 1q85 h ALA 157 Cb 0.37 -0.16 0.01 0.00 0.00 0.00 0.00 17.79 18.01 1q85 h ALA 157 CO 0.01 -0.02 -0.64 -0.39 0.00 0.00 0.00 179.25 178.21 1q85 h VAL 158 N 0.57 1.28 -0.58 0.00 -1.51 -1.18 -1.65 116.25 113.18 1q85 h VAL 158 Ca 0.17 -1.84 -0.02 0.00 -1.23 0.00 0.00 66.70 63.78 1q85 h VAL 158 Cb -0.04 1.84 -0.03 0.00 -2.13 0.00 0.00 31.29 30.93 1q85 h VAL 158 CO -0.05 0.59 0.28 -0.07 -1.23 0.00 0.00 177.57 177.09 1q85 h LEU 159 N 0.56 0.76 -0.25 4.19 3.38 -1.18 -0.90 115.31 121.87 1q85 h LEU 159 Ca -0.02 -0.13 -0.01 0.00 0.09 0.00 0.00 57.88 57.81 1q85 h LEU 159 Cb 1.27 -0.19 -0.01 0.00 0.09 0.00 0.00 40.66 41.81 1q85 h LEU 159 CO 0.14 0.67 0.11 0.00 0.09 0.00 0.00 178.44 179.45 1q85 h ALA 160 N 1.12 0.32 -0.58 1.53 0.00 -1.15 -1.69 119.26 118.81 1q85 h ALA 160 Ca 0.20 -0.10 0.01 0.00 0.00 0.00 0.00 54.91 55.01 1q85 h ALA 160 Cb 0.11 -0.10 -0.03 0.00 0.00 0.00 0.00 17.79 17.78 1q85 h ALA 160 CO -0.03 -0.10 0.39 0.00 0.00 0.00 0.00 179.25 179.51 1q85 h ALA 161 N 0.96 0.74 0.00 0.00 0.00 -1.11 -1.69 119.26 118.15 1q85 h ALA 161 Ca 0.08 -0.04 -0.07 0.00 0.00 0.00 0.00 54.91 54.88 1q85 h ALA 161 Cb 0.15 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 17.70 1q85 h ALA 161 CO -0.01 0.17 -0.34 -0.09 0.00 0.00 0.00 179.25 178.98 1q85 h ARG 162 N 0.79 0.00 -0.40 0.00 9.65 -1.04 -1.80 114.38 121.58 1q85 h ARG 162 Ca 0.22 0.00 -0.07 0.00 -1.10 0.00 0.00 59.98 59.02 1q85 h ARG 162 Cb -0.08 0.00 -0.01 0.00 -1.39 0.00 0.00 29.97 28.48 1q85 h ARG 162 CO -0.05 0.34 -0.03 1.49 2.80 0.00 0.00 179.97 184.52 1q85 h GLU 163 N 0.00 0.72 -0.44 0.20 4.57 -0.71 -3.04 114.58 115.88 1q85 h GLU 163 Ca -0.00 -0.25 -0.08 0.00 -1.18 0.00 0.00 59.36 57.85 1q85 h GLU 163 Cb 0.61 -0.06 -0.02 0.00 -0.16 0.00 0.00 28.75 29.12 1q85 h GLU 163 CO 0.04 0.83 -0.05 0.28 -1.18 0.00 0.00 179.01 178.93 1q85 h VAL 164 N 0.55 1.24 -2.26 0.32 2.07 -0.76 -3.44 116.25 113.98 1q85 h VAL 164 Ca 0.11 -1.05 -0.02 0.00 0.82 0.00 0.00 66.70 66.56 1q85 h VAL 164 Cb 0.52 0.96 -0.23 0.00 -1.52 0.00 0.00 31.29 31.02 1q85 h VAL 164 CO 0.03 0.36 -0.18 -0.55 0.02 0.00 0.00 177.57 177.24 1q85 s SER 165 N -6.68 -0.74 0.00 0.57 0.15 -0.73 -5.01 113.70 101.26 1q85 s SER 165 Ca -0.09 1.28 0.18 0.00 0.70 0.00 0.00 55.95 58.02 1q85 s SER 165 Cb 0.14 1.52 0.52 0.00 -1.71 0.00 0.00 66.02 66.49 1q85 s SER 165 CO 0.81 -0.22 1.42 -2.11 1.20 0.00 0.00 173.24 174.34 1q85 n ARG 166 N 4.90 2.10 -0.00 5.44 1.85 -1.22 -3.99 116.66 125.73 1q85 n ARG 166 Ca -0.16 -1.68 0.05 0.00 -1.00 0.00 0.00 57.85 55.06 1q85 n ARG 166 Cb 0.53 -1.41 -0.08 0.00 -1.05 0.00 0.00 32.46 30.45 1q85 n ARG 166 CO 0.00 0.00 0.00 -0.25 -0.01 0.00 0.00 177.63 177.37 1q85 n ASP 167 N 0.88 2.38 -4.74 2.89 8.00 -1.26 -5.00 116.55 119.69 1q85 n ASP 167 Ca 0.17 -0.09 -0.41 0.00 0.71 0.00 0.00 54.79 55.16 1q85 n ASP 167 Cb 0.43 1.41 -0.03 0.00 -0.02 0.00 0.00 41.12 42.90 1q85 n ASP 167 CO 0.00 0.00 0.00 0.54 -0.39 0.00 0.00 177.20 177.35 1q85 s VAL 168 N -2.61 3.38 -0.00 2.53 0.11 -1.26 -0.49 120.40 122.05 1q85 s VAL 168 Ca -0.03 1.20 -0.30 0.00 -2.93 0.00 0.00 61.98 59.92 1q85 s VAL 168 Cb 0.07 -3.77 -0.06 0.00 -1.53 0.00 0.00 36.38 31.09 1q85 s VAL 168 CO 0.42 0.21 1.44 0.12 -3.33 0.00 0.00 175.10 173.96 1q85 s PHE 169 N -0.30 2.75 -0.10 1.54 5.36 -1.26 -4.73 117.98 121.24 1q85 s PHE 169 Ca 0.52 0.74 0.01 0.00 -0.96 0.00 0.00 56.93 57.24 1q85 s PHE 169 Cb -0.34 -3.70 -0.02 0.00 -0.34 0.00 0.00 43.02 38.62 1q85 s PHE 169 CO 0.39 -2.64 -0.15 -0.51 -1.46 0.00 0.00 175.22 170.85 1q85 s LEU 170 N 2.58 2.65 -0.07 6.12 1.43 -1.26 -1.30 118.68 128.83 1q85 s LEU 170 Ca 0.65 -0.32 0.05 0.00 -1.03 0.00 0.00 54.13 53.48 1q85 s LEU 170 Cb -0.32 -1.57 -0.00 0.00 0.03 0.00 0.00 46.19 44.33 1q85 s LEU 170 CO 0.27 0.22 -0.22 -0.63 0.23 0.00 0.00 176.35 176.21 1q85 s ILE 171 N 0.03 1.87 -0.13 -0.59 1.01 -0.29 -0.91 121.20 122.20 1q85 s ILE 171 Ca -0.05 -0.94 0.03 0.00 0.00 0.00 0.00 60.65 59.69 1q85 s ILE 171 Cb -0.15 -1.60 0.00 0.00 0.01 0.00 0.00 42.46 40.73 1q85 s ILE 171 CO 0.04 0.52 -0.22 0.00 0.00 0.00 0.00 174.94 175.28 1q85 s ALA 172 N 0.10 2.24 0.10 9.38 0.00 -0.70 -1.03 121.76 131.85 1q85 s ALA 172 Ca -0.09 -1.04 0.00 0.00 0.00 0.00 0.00 51.96 50.83 1q85 s ALA 172 Cb -0.15 -0.94 -0.00 0.00 0.00 0.00 0.00 23.12 22.03 1q85 s ALA 172 CO 0.05 0.10 0.00 0.72 0.00 0.00 0.00 175.76 176.63 1q85 n HIS 173 N 3.84 0.22 -3.80 0.00 8.25 -0.09 -1.42 115.22 122.22 1q85 n HIS 173 Ca -0.20 -0.49 -0.13 0.00 -0.26 0.00 0.00 57.72 56.64 1q85 n HIS 173 Cb 0.52 -0.06 -0.11 0.00 1.12 0.00 0.00 29.99 31.45 1q85 n HIS 173 CO 0.00 0.00 0.00 -0.08 0.64 0.00 0.00 176.34 176.90 1q85 s THR 175 N -1.39 0.01 0.12 1.59 -1.32 -0.25 -2.67 115.64 111.74 1q85 s THR 175 Ca 0.00 -0.07 0.10 0.00 -1.21 0.00 0.00 61.69 60.51 1q85 s THR 175 Cb 0.00 -0.35 -0.04 0.00 -1.51 0.00 0.00 72.50 70.60 1q85 s THR 175 CO 0.00 -0.04 -0.23 -0.36 -2.21 0.00 0.00 174.62 171.78 1q85 s PHE 176 N -0.05 2.05 0.35 9.09 0.40 -1.26 -4.22 117.98 124.33 1q85 s PHE 176 Ca -0.02 -0.40 -0.05 0.00 -0.60 0.00 0.00 56.93 55.86 1q85 s PHE 176 Cb -0.02 -1.10 0.08 0.00 0.51 0.00 0.00 43.02 42.49 1q85 s PHE 176 CO 0.01 0.29 0.47 -0.40 0.70 0.00 0.00 175.22 176.29 1q85 n ASP 177 N 0.90 0.11 0.30 1.36 5.68 -0.69 -4.55 116.55 119.65 1q85 n ASP 177 Ca -0.18 -1.22 0.18 0.00 -0.50 0.00 0.00 54.79 53.07 1q85 n ASP 177 Cb 0.54 -0.36 0.94 0.00 -1.14 0.00 0.00 41.12 41.10 1q85 n ASP 177 CO 0.00 0.00 0.00 1.05 -1.33 0.00 0.00 177.20 176.92 1q85 h GLU 178 N 0.00 0.00 -0.04 0.11 4.11 -1.93 0.09 114.58 116.92 1q85 h GLU 178 Ca -0.15 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.28 1q85 h GLU 178 Cb 0.44 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.69 1q85 h GLU 178 CO 0.12 0.04 0.00 1.63 0.07 0.00 0.00 179.01 180.86 1q85 n LYS 179 N -3.37 1.40 -2.87 1.06 5.02 -1.26 -4.91 118.16 113.23 1q85 n LYS 179 Ca -0.02 -0.59 -0.10 0.00 -2.02 0.00 0.00 58.31 55.58 1q85 n LYS 179 Cb 0.16 -1.44 0.04 0.00 -0.02 0.00 0.00 35.03 33.77 1q85 n LYS 179 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1q85 n GLY 180 N 1.06 0.23 2.86 0.72 0.00 0.02 -5.05 105.19 105.02 1q85 n GLY 180 Ca 0.19 -0.25 -0.13 0.00 0.00 0.00 0.00 46.02 45.82 1q85 n GLY 180 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1q85 s ARG 181 N -5.26 0.04 0.93 1.61 0.52 -1.26 -4.22 118.95 111.32 1q85 s ARG 181 Ca 0.17 0.02 -0.12 0.00 -0.52 0.00 0.00 55.73 55.29 1q85 s ARG 181 Cb -0.08 -0.10 0.15 0.00 0.52 0.00 0.00 34.95 35.44 1q85 s ARG 181 CO 0.32 -0.03 1.12 -1.54 0.02 0.00 0.00 175.30 175.19 1q85 s SER 182 N 0.24 3.29 0.32 0.23 1.04 -0.01 -1.71 113.70 117.10 1q85 s SER 182 Ca -0.02 1.06 0.08 0.00 0.48 0.00 0.00 55.95 57.55 1q85 s SER 182 Cb -0.03 -1.68 0.82 0.00 0.10 0.00 0.00 66.02 65.24 1q85 s SER 182 CO -0.01 -2.70 1.76 0.25 0.98 0.00 0.00 173.24 173.53 1q85 h LEU 183 N -1.60 0.72 -3.02 2.42 5.85 -1.78 -0.19 115.31 117.71 1q85 h LEU 183 Ca -0.52 0.11 0.00 0.00 0.84 0.00 0.00 57.88 58.31 1q85 h LEU 183 Cb 1.33 -0.02 0.00 0.00 0.37 0.00 0.00 40.66 42.34 1q85 h LEU 183 CO 0.60 0.21 0.00 0.35 -0.34 0.00 0.00 178.44 179.26 1q85 n THR 184 N -4.78 2.00 -0.24 1.05 -2.24 -1.17 -4.94 114.28 103.95 1q85 n THR 184 Ca 0.24 -1.14 0.00 0.00 -2.27 0.00 0.00 64.05 60.89 1q85 n THR 184 Cb 0.65 -0.09 0.00 0.00 -2.10 0.00 0.00 70.33 68.79 1q85 n THR 184 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1q85 n GLY 185 N 0.84 0.88 3.72 3.38 0.00 -0.08 -3.85 105.19 110.08 1q85 n GLY 185 Ca 0.24 -0.01 -0.41 0.00 0.00 0.00 0.00 46.02 45.84 1q85 n GLY 185 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1q85 s THR 186 N -2.00 4.91 0.48 2.61 2.01 -0.47 -4.16 115.64 119.02 1q85 s THR 186 Ca 0.00 1.75 0.07 0.00 0.31 0.00 0.00 61.69 63.82 1q85 s THR 186 Cb 0.00 -4.18 0.03 0.00 0.01 0.00 0.00 72.50 68.36 1q85 s THR 186 CO 0.00 0.23 0.66 1.51 -0.69 0.00 0.00 174.62 176.33 1q85 s ASP 187 N 0.75 5.44 0.23 3.53 1.47 -1.26 -0.83 116.67 126.00 1q85 s ASP 187 Ca 0.44 -0.44 -0.06 0.00 1.18 0.00 0.00 52.55 53.67 1q85 s ASP 187 Cb -0.20 -0.48 0.36 0.00 -0.34 0.00 0.00 42.92 42.27 1q85 s ASP 187 CO 0.23 -0.98 1.76 -0.65 0.68 0.00 0.00 175.17 176.21 1q85 h PRO 188 N 0.41 0.52 -0.61 2.11 0.11 -1.89 -1.93 132.00 130.72 1q85 h PRO 188 Ca -0.38 -0.03 -0.09 0.00 0.11 0.00 0.00 66.00 65.61 1q85 h PRO 188 Cb 1.28 -0.12 -0.02 0.00 0.11 0.00 0.00 31.00 32.26 1q85 h PRO 188 CO 0.45 0.34 0.03 0.00 -0.21 0.00 0.00 178.00 178.61 1q85 h ALA 189 N 1.46 0.81 -0.33 -0.75 0.00 -1.93 -0.79 119.26 117.73 1q85 h ALA 189 Ca 0.36 -0.30 -0.03 0.00 0.00 0.00 0.00 54.91 54.95 1q85 h ALA 189 Cb 0.45 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 18.00 1q85 h ALA 189 CO -0.31 0.63 0.10 -0.97 0.00 0.00 0.00 179.25 178.71 1q85 h ASN 190 N 0.95 0.48 -0.13 0.00 -1.24 -1.89 -0.14 115.58 113.60 1q85 h ASN 190 Ca 0.18 -0.20 0.01 0.00 0.71 0.00 0.00 56.30 57.00 1q85 h ASN 190 Cb 0.53 -0.13 -0.02 0.00 0.73 0.00 0.00 38.32 39.44 1q85 h ASN 190 CO 0.03 0.56 0.03 0.15 -1.29 0.00 0.00 177.43 176.91 1q85 h PHE 191 N 0.38 0.06 -0.08 0.67 3.57 -1.22 0.38 116.94 120.70 1q85 h PHE 191 Ca 0.11 0.01 -0.00 0.00 3.53 0.00 0.00 57.97 61.61 1q85 h PHE 191 Cb 0.25 -0.01 -0.00 0.00 2.79 0.00 0.00 35.95 38.98 1q85 h PHE 191 CO 0.01 0.03 0.04 0.00 -2.23 0.00 0.00 178.31 176.16 1q85 h ALA 192 N 1.09 0.10 -0.31 2.41 0.00 -1.04 -0.61 119.26 120.91 1q85 h ALA 192 Ca 0.06 -0.05 -0.07 0.00 0.00 0.00 0.00 54.91 54.85 1q85 h ALA 192 Cb 0.04 -0.03 -0.02 0.00 0.00 0.00 0.00 17.79 17.78 1q85 h ALA 192 CO -0.07 -0.36 -0.10 0.82 0.00 0.00 0.00 179.25 179.54 1q85 h ILE 193 N 0.03 1.22 0.06 0.00 2.04 -0.87 0.29 117.51 120.29 1q85 h ILE 193 Ca 0.03 -0.97 -0.15 0.00 1.00 0.00 0.00 64.86 64.77 1q85 h ILE 193 Cb 0.08 1.10 0.02 0.00 -0.74 0.00 0.00 36.82 37.28 1q85 h ILE 193 CO -0.00 0.32 -0.63 0.74 0.00 0.00 0.00 178.15 178.57 1q85 h THR 194 N 0.47 1.49 0.00 -0.27 2.02 -0.81 -3.36 112.91 112.45 1q85 h THR 194 Ca 0.09 -2.27 0.00 0.00 0.77 0.00 0.00 66.41 65.00 1q85 h THR 194 Cb 0.46 2.90 0.00 0.00 -1.74 0.00 0.00 68.15 69.77 1q85 h THR 194 CO 0.03 0.64 -0.63 -0.26 0.37 0.00 0.00 175.52 175.67 1q85 h PHE 195 N -0.29 0.00 0.00 3.16 -1.00 -1.08 -3.34 116.94 114.40 1q85 h PHE 195 Ca -0.10 0.00 -0.03 0.00 2.81 0.00 0.00 57.97 60.65 1q85 h PHE 195 Cb 1.41 0.00 -0.00 0.00 3.61 0.00 0.00 35.95 40.96 1q85 h PHE 195 CO 0.18 0.00 -0.16 0.22 -1.61 0.00 0.00 178.31 176.94 1q85 h ASP 196 N 0.00 0.00 0.18 2.17 3.58 -0.56 -2.41 116.42 119.38 1q85 h ASP 196 Ca 0.00 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.45 1q85 h ASP 196 Cb 0.77 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.82 1q85 h ASP 196 CO 0.00 0.16 -0.16 -1.84 -2.88 0.00 0.00 179.24 174.52 1q85 n GLU 197 N -4.33 1.06 -2.31 0.28 0.28 -1.25 -4.88 120.64 109.48 1q85 n GLU 197 Ca -0.03 -0.58 -0.29 0.00 -0.16 0.00 0.00 57.16 56.10 1q85 n GLU 197 Cb 0.22 -1.49 0.00 0.00 1.43 0.00 0.00 31.44 31.61 1q85 n GLU 197 CO 0.00 0.00 0.00 -0.51 -0.16 0.00 0.00 177.13 176.46 1q85 s LEU 198 N -2.35 3.45 -0.72 -1.84 1.43 -0.91 -4.76 118.68 112.98 1q85 s LEU 198 Ca 0.29 1.12 -0.07 0.00 -1.03 0.00 0.00 54.13 54.45 1q85 s LEU 198 Cb 0.20 -4.11 -0.15 0.00 0.03 0.00 0.00 46.19 42.15 1q85 s LEU 198 CO 0.46 -0.72 2.95 -0.67 0.23 0.00 0.00 176.35 178.60 1q85 n ASP 199 N -2.47 6.08 -4.83 2.29 2.03 -1.26 -4.84 116.55 113.55 1q85 n ASP 199 Ca 0.03 -2.42 -0.22 0.00 0.52 0.00 0.00 54.79 52.70 1q85 n ASP 199 Cb 0.55 -1.32 -0.04 0.00 -0.72 0.00 0.00 41.12 39.58 1q85 n ASP 199 CO 0.00 0.00 0.00 0.27 -1.92 0.00 0.00 177.20 175.55 1q85 s ILE 200 N 1.93 3.25 -0.04 5.18 -5.25 -1.26 -4.91 121.20 120.10 1q85 s ILE 200 Ca 0.59 -1.44 0.17 0.00 -0.99 0.00 0.00 60.65 58.97 1q85 s ILE 200 Cb 0.21 -3.11 -0.25 0.00 2.95 0.00 0.00 42.46 42.26 1q85 s ILE 200 CO -0.03 -0.14 0.33 0.47 -1.79 0.00 0.00 174.94 173.78 1q85 n ASP 201 N -1.35 1.11 -3.59 4.36 9.92 -0.09 -4.96 116.55 121.95 1q85 n ASP 201 Ca -0.01 0.00 -0.14 0.00 -0.53 0.00 0.00 54.79 54.11 1q85 n ASP 201 Cb 0.60 1.65 -0.06 0.00 -0.64 0.00 0.00 41.12 42.68 1q85 n ASP 201 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 1q85 s ALA 202 N -3.07 -1.31 0.23 2.24 0.00 -0.96 -2.54 121.76 116.35 1q85 s ALA 202 Ca -0.06 0.61 0.09 0.00 0.00 0.00 0.00 51.96 52.60 1q85 s ALA 202 Cb 0.10 0.33 -0.05 0.00 0.00 0.00 0.00 23.12 23.51 1q85 s ALA 202 CO 0.70 -0.48 -0.16 -0.51 0.00 0.00 0.00 175.76 175.32 1q85 s LEU 203 N -1.88 2.56 0.00 0.00 1.43 -0.03 -1.73 118.68 119.04 1q85 s LEU 203 Ca -0.06 -1.03 -0.14 0.00 -1.03 0.00 0.00 54.13 51.86 1q85 s LEU 203 Cb -0.01 -0.79 0.05 0.00 0.03 0.00 0.00 46.19 45.47 1q85 s LEU 203 CO -0.01 -0.12 0.67 0.61 0.23 0.00 0.00 176.35 177.73 1q85 n GLY 204 N -0.46 0.63 2.98 -3.19 0.00 -0.51 -1.46 105.19 103.18 1q85 n GLY 204 Ca -0.07 -1.00 -0.17 0.00 0.00 0.00 0.00 46.02 44.78 1q85 n GLY 204 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1q85 s ILE 205 N -2.17 0.57 0.03 -0.61 1.01 -1.02 -4.21 121.20 114.79 1q85 s ILE 205 Ca 0.15 -0.29 -0.10 0.00 0.00 0.00 0.00 60.65 60.41 1q85 s ILE 205 Cb -0.01 -0.48 0.01 0.00 0.01 0.00 0.00 42.46 41.98 1q85 s ILE 205 CO 0.01 0.17 0.21 0.54 0.00 0.00 0.00 174.94 175.87 1q85 s ASN 206 N -0.09 -0.01 0.27 3.58 4.22 -1.26 -1.06 114.94 120.60 1q85 s ASN 206 Ca 0.02 -0.29 0.00 0.00 -2.14 0.00 0.00 52.86 50.45 1q85 s ASN 206 Cb -0.04 0.29 0.00 0.00 1.28 0.00 0.00 41.25 42.78 1q85 s ASN 206 CO -0.00 -0.54 0.00 0.00 -2.04 0.00 0.00 177.10 174.52 1q85 n SER 208 N -1.77 0.00 -4.36 0.00 7.64 -1.26 -4.67 113.62 109.21 1q85 n SER 208 Ca 0.00 0.00 -0.18 0.00 1.01 0.00 0.00 58.87 59.70 1q85 n SER 208 Cb 0.17 0.00 -0.10 0.00 -1.01 0.00 0.00 64.21 63.27 1q85 n SER 208 CO 0.00 0.00 0.00 -0.76 -3.01 0.00 0.00 175.04 171.27 1q85 s LEU 209 N 0.00 2.03 0.00 -3.43 1.43 -1.26 -4.95 118.68 112.50 1q85 s LEU 209 Ca 0.00 -1.31 -0.06 0.00 -1.03 0.00 0.00 54.13 51.73 1q85 s LEU 209 Cb 0.00 -0.21 0.16 0.00 0.03 0.00 0.00 46.19 46.16 1q85 s LEU 209 CO 0.00 -0.60 0.99 0.61 0.23 0.00 0.00 176.35 177.58 1q85 n GLY 210 N -0.50 -0.26 0.38 -3.19 0.00 -1.25 -0.68 105.19 99.68 1q85 n GLY 210 Ca -0.03 -1.88 -0.02 0.00 0.00 0.00 0.00 46.02 44.09 1q85 n GLY 210 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 1q85 h PRO 211 N 0.00 1.32 -0.48 1.61 0.11 -1.90 -2.54 132.00 130.12 1q85 h PRO 211 Ca -0.32 -0.09 -0.10 0.00 0.11 0.00 0.00 66.00 65.59 1q85 h PRO 211 Cb 1.04 -0.29 -0.02 0.00 0.11 0.00 0.00 31.00 31.85 1q85 h PRO 211 CO 0.29 0.89 -0.11 1.49 -0.21 0.00 0.00 178.00 180.35 1q85 h GLU 212 N 1.35 0.92 -0.08 1.05 4.81 -1.94 -3.08 114.58 117.61 1q85 h GLU 212 Ca 0.36 -0.35 -0.17 0.00 -0.13 0.00 0.00 59.36 59.07 1q85 h GLU 212 Cb -0.13 -0.05 -0.01 0.00 0.63 0.00 0.00 28.75 29.19 1q85 h GLU 212 CO -0.07 1.01 -0.69 0.93 -0.73 0.00 0.00 179.01 179.45 1q85 h GLU 213 N 0.78 0.38 0.00 1.92 5.08 -1.91 -3.24 114.58 117.58 1q85 h GLU 213 Ca 0.12 -0.30 -0.10 0.00 -1.00 0.00 0.00 59.36 58.09 1q85 h GLU 213 Cb 0.66 0.06 -0.01 0.00 0.50 0.00 0.00 28.75 29.95 1q85 h GLU 213 CO 0.05 0.93 -0.46 0.82 -1.00 0.00 0.00 179.01 179.35 1q85 h ILE 214 N 0.26 1.11 -0.96 3.13 2.04 -1.49 -3.37 117.51 118.23 1q85 h ILE 214 Ca -0.02 -1.70 0.12 0.00 1.00 0.00 0.00 64.86 64.25 1q85 h ILE 214 Cb 1.25 1.98 -0.14 0.00 -0.74 0.00 0.00 36.82 39.18 1q85 h ILE 214 CO 0.12 0.45 -0.50 0.25 0.00 0.00 0.00 178.15 178.47 1q85 h LEU 215 N 0.00 -1.82 -0.94 1.44 5.85 -1.56 0.78 115.31 119.05 1q85 h LEU 215 Ca -0.00 0.32 -0.04 0.00 0.84 0.00 0.00 57.88 58.99 1q85 h LEU 215 Cb 0.94 0.86 -0.01 0.00 0.37 0.00 0.00 40.66 42.82 1q85 h LEU 215 CO 0.06 -0.26 -0.18 1.55 -0.34 0.00 0.00 178.44 179.27 1q85 h PRO 216 N -0.02 0.00 -0.14 5.25 0.13 -1.81 -0.40 132.00 135.01 1q85 h PRO 216 Ca 0.24 0.00 -0.20 0.00 -0.87 0.00 0.00 66.00 65.17 1q85 h PRO 216 Cb 0.50 0.00 0.01 0.00 0.13 0.00 0.00 31.00 31.64 1q85 h PRO 216 CO -0.94 0.18 -0.70 0.82 -0.23 0.00 0.00 178.00 177.13 1q85 h ILE 217 N 0.00 1.30 -0.30 -3.56 2.04 -0.95 -2.39 117.51 113.65 1q85 h ILE 217 Ca -0.00 -1.92 -0.10 0.00 1.00 0.00 0.00 64.86 63.84 1q85 h ILE 217 Cb 0.79 2.03 -0.01 0.00 -0.74 0.00 0.00 36.82 38.88 1q85 h ILE 217 CO 0.02 0.60 -0.23 0.15 0.00 0.00 0.00 178.15 178.70 1q85 h PHE 218 N 0.43 0.64 -0.45 1.37 3.57 0.74 -2.53 116.94 120.71 1q85 h PHE 218 Ca -0.05 -0.13 -0.05 0.00 3.53 0.00 0.00 57.97 61.27 1q85 h PHE 218 Cb 1.33 -0.16 -0.02 0.00 2.79 0.00 0.00 35.95 39.90 1q85 h PHE 218 CO 0.09 0.75 0.11 0.37 -2.23 0.00 0.00 178.31 177.40 1q85 h GLN 219 N 0.51 0.73 -0.59 1.11 4.15 -1.04 -0.52 115.11 119.45 1q85 h GLN 219 Ca 0.08 -0.18 -0.01 0.00 0.77 0.00 0.00 58.65 59.31 1q85 h GLN 219 Cb 0.67 -0.09 -0.03 0.00 0.21 0.00 0.00 27.48 28.23 1q85 h GLN 219 CO 0.05 0.73 0.35 1.49 -1.93 0.00 0.00 178.83 179.51 1q85 h GLU 220 N 0.60 0.81 -0.46 1.69 4.81 -1.21 -2.45 114.58 118.38 1q85 h GLU 220 Ca 0.14 -0.08 -0.00 0.00 -0.13 0.00 0.00 59.36 59.28 1q85 h GLU 220 Cb 0.33 -0.17 -0.02 0.00 0.63 0.00 0.00 28.75 29.52 1q85 h GLU 220 CO 0.00 0.60 0.27 1.25 -0.73 0.00 0.00 179.01 180.40 1q85 h LEU 221 N 0.80 0.56 -2.11 1.64 5.85 -1.21 -2.77 115.31 118.08 1q85 h LEU 221 Ca 0.21 -0.07 -0.01 0.00 0.84 0.00 0.00 57.88 58.85 1q85 h LEU 221 Cb 0.00 -0.14 -0.00 0.00 0.37 0.00 0.00 40.66 40.89 1q85 h LEU 221 CO -0.04 0.46 -0.07 0.77 -0.34 0.00 0.00 178.44 179.23 1q85 h SER 222 N 0.61 0.00 1.55 1.25 4.64 -0.79 -2.43 113.55 118.39 1q85 h SER 222 Ca 0.16 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.48 1q85 h SER 222 Cb 0.02 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.11 1q85 h SER 222 CO -0.03 0.07 -0.12 1.56 -0.87 0.00 0.00 176.83 177.44 1q85 h GLN 223 N 0.00 0.00 -0.18 4.77 4.20 -1.15 -3.34 115.11 119.41 1q85 h GLN 223 Ca -0.00 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.71 1q85 h GLN 223 Cb 0.26 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.04 1q85 h GLN 223 CO 0.01 0.00 0.00 0.66 -0.67 0.00 0.00 178.83 178.83 1q85 n TYR 224 N -2.54 0.24 -3.97 2.96 4.01 -0.92 -0.34 117.16 116.59 1q85 n TYR 224 Ca 0.05 -0.28 -0.09 0.00 -0.16 0.00 0.00 57.90 57.41 1q85 n TYR 224 Cb 0.47 -0.02 -0.11 0.00 -0.31 0.00 0.00 39.34 39.37 1q85 n TYR 224 CO 0.00 0.00 0.00 -0.08 -0.46 0.00 0.00 176.86 176.32 1q85 s THR 225 N -0.94 0.11 -1.27 -0.72 -1.32 -1.18 -4.42 115.64 105.90 1q85 s THR 225 Ca 0.17 -0.81 0.13 0.00 -1.21 0.00 0.00 61.69 59.97 1q85 s THR 225 Cb 0.10 -0.24 0.28 0.00 -1.51 0.00 0.00 72.50 71.13 1q85 s THR 225 CO 0.14 -0.44 1.19 -0.90 -2.21 0.00 0.00 174.62 172.39 1q85 n ASP 226 N 1.76 2.80 -4.49 8.08 3.85 -1.26 -4.73 116.55 122.56 1q85 n ASP 226 Ca -0.23 -1.86 -0.29 0.00 -0.71 0.00 0.00 54.79 51.70 1q85 n ASP 226 Cb 0.56 -0.19 0.14 0.00 -1.35 0.00 0.00 41.12 40.27 1q85 n ASP 226 CO 0.00 0.00 0.00 -0.54 -1.01 0.00 0.00 177.20 175.65 1q85 s LYS 227 N -1.03 1.28 0.59 0.11 1.02 -1.26 -5.01 119.74 115.43 1q85 s LYS 227 Ca 0.24 -0.24 -0.19 0.00 0.02 0.00 0.00 55.97 55.80 1q85 s LYS 227 Cb 0.13 -1.93 -0.04 0.00 -0.52 0.00 0.00 37.83 35.48 1q85 s LYS 227 CO 0.18 -1.99 1.20 -0.06 -0.92 0.00 0.00 175.35 173.76 1q85 s PHE 228 N -3.70 2.41 0.01 3.18 0.40 -1.05 -4.80 117.98 114.42 1q85 s PHE 228 Ca 0.68 1.52 0.08 0.00 -0.60 0.00 0.00 56.93 58.61 1q85 s PHE 228 Cb -0.07 -3.47 -0.02 0.00 0.51 0.00 0.00 43.02 39.97 1q85 s PHE 228 CO 0.51 -2.17 -0.26 -0.51 0.70 0.00 0.00 175.22 173.49 1q85 s LEU 229 N -4.04 2.12 0.07 -0.37 1.43 -1.26 -0.85 118.68 115.79 1q85 s LEU 229 Ca 0.77 -0.51 0.05 0.00 -1.03 0.00 0.00 54.13 53.41 1q85 s LEU 229 Cb -0.30 -1.33 -0.03 0.00 0.03 0.00 0.00 46.19 44.57 1q85 s LEU 229 CO 0.33 0.29 -0.14 -0.69 0.23 0.00 0.00 176.35 176.37 1q85 s VAL 230 N -0.70 1.10 -0.10 -1.59 1.01 -0.54 -0.33 120.40 119.25 1q85 s VAL 230 Ca 0.11 -1.33 -0.11 0.00 0.00 0.00 0.00 61.98 60.65 1q85 s VAL 230 Cb -0.10 -1.09 0.03 0.00 0.00 0.00 0.00 36.38 35.22 1q85 s VAL 230 CO 0.00 -0.25 0.29 0.54 0.00 0.00 0.00 175.10 175.68 1q85 s VAL 231 N -1.35 0.01 -0.41 2.92 0.11 -0.92 -2.44 120.40 118.32 1q85 s VAL 231 Ca -0.02 -0.08 0.04 0.00 -2.93 0.00 0.00 61.98 58.99 1q85 s VAL 231 Cb -0.10 -0.44 0.16 0.00 -1.53 0.00 0.00 36.38 34.48 1q85 s VAL 231 CO 0.02 -0.04 0.41 -1.61 -3.33 0.00 0.00 175.10 170.55 1q85 s GLU 232 N -0.06 0.79 0.64 1.54 2.02 -0.22 -1.92 118.70 121.49 1q85 s GLU 232 Ca -0.02 -1.36 -0.11 0.00 0.02 0.00 0.00 54.97 53.50 1q85 s GLU 232 Cb -0.03 -0.89 -0.02 0.00 0.10 0.00 0.00 34.13 33.28 1q85 s GLU 232 CO 0.01 -1.28 1.04 -2.14 0.02 0.00 0.00 175.26 172.90 1q85 s PRO 233 N 0.85 3.39 0.64 0.39 0.02 -1.25 -1.96 135.00 137.08 1q85 s PRO 233 Ca 0.24 0.80 -0.12 0.00 0.02 0.00 0.00 61.00 61.95 1q85 s PRO 233 Cb -0.07 -2.05 -0.02 0.00 0.02 0.00 0.00 34.50 32.37 1q85 s PRO 233 CO -0.08 -0.74 1.04 -0.80 -0.33 0.00 0.00 177.00 176.09 1q85 s ASN 234 N -4.07 5.84 -1.25 2.53 0.01 0.14 -0.49 114.94 117.65 1q85 s ASN 234 Ca 0.56 1.56 -0.18 0.00 -0.71 0.00 0.00 52.86 54.09 1q85 s ASN 234 Cb -0.12 -2.49 0.00 0.00 0.41 0.00 0.00 41.25 39.05 1q85 s ASN 234 CO 0.54 -1.13 1.94 0.00 -1.51 0.00 0.00 177.10 176.93 1q85 n ALA 235 N -2.75 3.75 0.00 0.60 0.00 -0.93 -3.86 120.51 117.33 1q85 n ALA 235 Ca 0.07 -3.63 0.00 0.00 0.00 0.00 0.00 53.44 49.88 1q85 n ALA 235 Cb 0.54 -3.57 0.00 0.00 0.00 0.00 0.00 19.45 16.42 1q85 n ALA 235 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1q85 n GLY 236 N 4.99 -2.13 3.67 0.00 0.00 -1.26 -1.81 105.19 108.65 1q85 n GLY 236 Ca 0.49 -1.59 -0.41 0.00 0.00 0.00 0.00 46.02 44.51 1q85 n GLY 236 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1q85 s LYS 237 N -0.16 4.26 0.39 1.61 1.02 -1.26 -3.92 119.74 121.68 1q85 s LYS 237 Ca 0.00 0.81 -0.27 0.00 0.02 0.00 0.00 55.97 56.53 1q85 s LYS 237 Cb 0.00 -3.57 -0.10 0.00 -0.52 0.00 0.00 37.83 33.64 1q85 s LYS 237 CO 0.00 -0.27 1.44 -1.25 -0.92 0.00 0.00 175.35 174.35 1q85 s PRO 238 N 1.98 4.05 0.09 -1.68 0.04 -1.26 -4.54 135.00 133.68 1q85 s PRO 238 Ca 0.34 2.47 0.00 0.00 0.04 0.00 0.00 61.00 63.85 1q85 s PRO 238 Cb -0.16 -2.91 -0.04 0.00 0.04 0.00 0.00 34.50 31.43 1q85 s PRO 238 CO 0.12 -0.54 -0.03 0.96 0.04 0.00 0.00 177.00 177.54 1q85 s ILE 239 N -1.15 0.44 -0.19 0.56 -4.36 -0.18 -4.90 121.20 111.43 1q85 s ILE 239 Ca 0.54 -1.89 -0.04 0.00 -0.26 0.00 0.00 60.65 59.00 1q85 s ILE 239 Cb -0.45 -1.69 -0.02 0.00 1.25 0.00 0.00 42.46 41.55 1q85 s ILE 239 CO 0.60 -0.85 -0.02 -0.69 0.24 0.00 0.00 174.94 174.21 1q85 s VAL 240 N -3.79 3.77 0.00 8.37 1.01 -1.26 0.20 120.40 128.70 1q85 s VAL 240 Ca 0.12 -0.38 0.00 0.00 0.00 0.00 0.00 61.98 61.72 1q85 s VAL 240 Cb 0.07 -2.69 0.00 0.00 0.00 0.00 0.00 36.38 33.76 1q85 s VAL 240 CO -0.06 0.45 0.00 -0.62 0.00 0.00 0.00 175.10 174.87 1q85 n GLU 241 N 4.16 0.00 -3.47 2.72 1.02 -1.25 -4.88 120.64 118.95 1q85 n GLU 241 Ca -0.17 0.06 -0.26 0.00 -0.02 0.00 0.00 57.16 56.76 1q85 n GLU 241 Cb 0.52 -0.34 -0.09 0.00 -0.02 0.00 0.00 31.44 31.51 1q85 n GLU 241 CO 0.00 0.00 0.00 0.09 1.18 0.00 0.00 177.13 178.40 1q85 n ASN 242 N -1.63 2.06 0.00 1.62 3.02 -1.26 -4.98 115.26 114.09 1q85 n ASN 242 Ca 0.00 -3.04 0.00 0.00 -0.03 0.00 0.00 54.58 51.51 1q85 n ASN 242 Cb 0.00 -0.66 0.00 0.00 -0.61 0.00 0.00 39.78 38.51 1q85 n ASN 242 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1q85 n GLY 243 N 1.53 2.14 3.90 7.41 0.00 -1.26 -5.04 105.19 113.87 1q85 n GLY 243 Ca 0.25 -0.73 -0.23 0.00 0.00 0.00 0.00 46.02 45.31 1q85 n GLY 243 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1q85 s LYS 244 N 0.00 3.23 0.87 1.61 -0.14 -1.26 -4.99 119.74 119.05 1q85 s LYS 244 Ca 0.00 -0.80 -0.12 0.00 -1.36 0.00 0.00 55.97 53.69 1q85 s LYS 244 Cb 0.00 -2.79 0.12 0.00 -1.68 0.00 0.00 37.83 33.47 1q85 s LYS 244 CO 0.00 0.46 1.15 0.25 -0.76 0.00 0.00 175.35 176.45 1q85 n THR 245 N -0.94 0.94 -4.04 2.17 -2.24 -1.26 -3.84 114.28 105.07 1q85 n THR 245 Ca -0.08 -0.10 -0.09 0.00 -2.27 0.00 0.00 64.05 61.51 1q85 n THR 245 Cb 0.56 -1.08 -0.11 0.00 -2.10 0.00 0.00 70.33 67.60 1q85 n THR 245 CO 0.00 0.00 0.00 0.68 -0.57 0.00 0.00 175.07 175.18 1q85 s VAL 246 N -2.40 0.25 -0.50 2.28 -7.23 0.54 -4.92 120.40 108.42 1q85 s VAL 246 Ca 0.70 -1.33 -0.09 0.00 -1.81 0.00 0.00 61.98 59.45 1q85 s VAL 246 Cb -0.26 -0.85 0.13 0.00 0.56 0.00 0.00 36.38 35.96 1q85 s VAL 246 CO 0.55 -0.69 0.37 -0.31 -0.31 0.00 0.00 175.10 174.71 1q85 s TYR 247 N -2.48 3.45 0.24 2.82 2.02 -1.26 -1.01 117.35 121.13 1q85 s TYR 247 Ca -0.05 -1.98 0.31 0.00 -0.37 0.00 0.00 57.07 54.98 1q85 s TYR 247 Cb -0.03 -3.49 1.38 0.00 -0.40 0.00 0.00 41.96 39.43 1q85 s TYR 247 CO -0.04 -0.98 2.00 -1.00 -1.57 0.00 0.00 175.55 173.96 1q85 h PRO 248 N 8.28 0.00 -6.21 -1.71 0.13 -1.79 -3.46 132.00 127.24 1q85 h PRO 248 Ca -0.17 0.00 -0.56 0.00 -0.87 0.00 0.00 66.00 64.40 1q85 h PRO 248 Cb 1.06 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.19 1q85 h PRO 248 CO 0.84 0.08 1.31 -0.51 -0.23 0.00 0.00 178.00 179.49 1q85 s LEU 249 N -6.56 3.98 0.72 1.56 1.43 -0.75 -4.98 118.68 114.08 1q85 s LEU 249 Ca -0.00 2.21 -0.11 0.00 -1.03 0.00 0.00 54.13 55.19 1q85 s LEU 249 Cb 0.11 -3.52 0.02 0.00 0.03 0.00 0.00 46.19 42.82 1q85 s LEU 249 CO 0.56 -1.42 1.10 -0.54 0.23 0.00 0.00 176.35 176.28 1q85 s LYS 250 N 5.18 2.78 0.14 1.70 1.02 -1.26 -4.83 119.74 124.46 1q85 s LYS 250 Ca 0.90 0.50 -0.31 0.00 0.02 0.00 0.00 55.97 57.08 1q85 s LYS 250 Cb -0.36 -2.01 -0.09 0.00 -0.52 0.00 0.00 37.83 34.85 1q85 s LYS 250 CO 0.37 -1.10 1.52 -1.35 -0.92 0.00 0.00 175.35 173.87 1q85 h PRO 251 N -0.70 -0.17 -0.16 -1.68 0.11 -1.93 -2.15 132.00 125.30 1q85 h PRO 251 Ca -0.45 0.01 0.02 0.00 0.11 0.00 0.00 66.00 65.69 1q85 h PRO 251 Cb 1.25 0.04 -0.02 0.00 0.11 0.00 0.00 31.00 32.38 1q85 h PRO 251 CO 0.63 -0.12 0.02 0.45 -0.21 0.00 0.00 178.00 178.78 1q85 h HIS 252 N -0.18 0.04 0.00 0.65 3.86 -1.95 0.23 115.15 117.81 1q85 h HIS 252 Ca 0.11 0.01 -0.00 0.00 -1.16 0.00 0.00 60.37 59.33 1q85 h HIS 252 Cb 0.48 0.01 -0.00 0.00 1.06 0.00 0.00 27.41 28.96 1q85 h HIS 252 CO -0.89 0.01 -0.02 -0.44 0.86 0.00 0.00 177.93 177.45 1q85 h ASP 253 N 0.09 0.00 0.00 2.45 3.32 -1.89 -0.75 116.42 119.63 1q85 h ASP 253 Ca 0.07 0.00 -0.02 0.00 0.02 0.00 0.00 57.03 57.11 1q85 h ASP 253 Cb 0.07 0.00 -0.00 0.00 0.22 0.00 0.00 39.33 39.62 1q85 h ASP 253 CO -0.10 0.02 -0.20 0.15 -1.72 0.00 0.00 179.24 177.39 1q85 h PHE 254 N 0.00 0.00 -0.81 4.55 3.04 -0.72 -3.38 116.94 119.62 1q85 h PHE 254 Ca -0.00 0.00 0.21 0.00 3.98 0.00 0.00 57.97 62.16 1q85 h PHE 254 Cb 0.07 0.00 -0.04 0.00 2.56 0.00 0.00 35.95 38.53 1q85 h PHE 254 CO 0.00 0.32 0.57 0.00 -2.02 0.00 0.00 178.31 177.17 1q85 h ALA 255 N -0.76 2.55 0.00 2.41 0.00 -0.19 -1.55 119.26 121.72 1q85 h ALA 255 Ca -0.03 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.87 1q85 h ALA 255 Cb 0.40 0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.22 1q85 h ALA 255 CO -0.02 -0.79 0.01 -0.39 0.00 0.00 0.00 179.25 178.06 1q85 h VAL 256 N 0.14 0.00 0.00 0.00 -1.51 -1.32 -1.62 116.25 111.94 1q85 h VAL 256 Ca 0.40 0.00 0.00 0.00 -1.23 0.00 0.00 66.70 65.87 1q85 h VAL 256 Cb 1.36 0.76 0.00 0.00 -2.13 0.00 0.00 31.29 31.28 1q85 h VAL 256 CO -0.06 0.00 -0.22 1.41 -1.23 0.00 0.00 177.57 177.47 1q85 n HIS 257 N -2.70 0.36 -0.28 5.19 -0.00 -0.58 -4.20 115.22 113.00 1q85 n HIS 257 Ca -0.02 0.10 0.04 0.00 -0.00 0.00 0.00 57.72 57.84 1q85 n HIS 257 Cb 0.06 -0.60 0.18 0.00 -0.00 0.00 0.00 29.99 29.63 1q85 n HIS 257 CO 0.00 0.00 0.00 0.82 -0.00 0.00 0.00 176.34 177.16 1q85 h ILE 258 N 0.00 0.82 -0.82 1.59 2.04 -1.48 -2.26 117.51 117.40 1q85 h ILE 258 Ca 0.00 -0.23 0.03 0.00 1.00 0.00 0.00 64.86 65.66 1q85 h ILE 258 Cb 0.61 0.09 -0.05 0.00 -0.74 0.00 0.00 36.82 36.73 1q85 h ILE 258 CO 0.00 0.12 0.53 0.44 0.00 0.00 0.00 178.15 179.24 1q85 h ASP 259 N 0.67 0.88 -0.70 1.72 3.32 -1.81 0.44 116.42 120.94 1q85 h ASP 259 Ca 0.41 -0.01 -0.03 0.00 0.02 0.00 0.00 57.03 57.43 1q85 h ASP 259 Cb 0.48 -0.20 -0.03 0.00 0.22 0.00 0.00 39.33 39.80 1q85 h ASP 259 CO -0.30 0.61 0.34 0.77 -1.72 0.00 0.00 179.24 178.93 1q85 h SER 260 N 1.03 0.93 0.18 6.45 4.64 -1.68 -1.37 113.55 123.73 1q85 h SER 260 Ca 0.33 -0.10 -0.18 0.00 -0.47 0.00 0.00 61.79 61.36 1q85 h SER 260 Cb -0.00 -0.24 -0.00 0.00 -0.31 0.00 0.00 62.40 61.85 1q85 h SER 260 CO -0.11 0.79 -0.70 1.88 -0.87 0.00 0.00 176.83 177.82 1q85 h TYR 261 N 1.02 0.62 -0.55 4.77 0.05 -1.12 -3.08 116.97 118.68 1q85 h TYR 261 Ca 0.25 -0.26 -0.04 0.00 0.05 0.00 0.00 58.73 58.72 1q85 h TYR 261 Cb 0.11 -0.10 -0.03 0.00 1.01 0.00 0.00 36.73 37.73 1q85 h TYR 261 CO 0.01 1.02 0.18 -0.92 -1.05 0.00 0.00 178.16 177.40 1q85 h TYR 262 N 0.32 0.83 0.00 4.88 5.03 -0.45 -2.03 116.97 125.55 1q85 h TYR 262 Ca -0.03 -0.06 -0.03 0.00 2.58 0.00 0.00 58.73 61.19 1q85 h TYR 262 Cb 1.28 -0.25 -0.00 0.00 1.55 0.00 0.00 36.73 39.30 1q85 h TYR 262 CO 0.05 0.67 -0.15 0.93 -1.32 0.00 0.00 178.16 178.33 1q85 h GLU 263 N 0.80 0.00 -0.47 1.82 5.08 -1.20 -2.41 114.58 118.20 1q85 h GLU 263 Ca 0.18 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.54 1q85 h GLU 263 Cb 0.22 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.47 1q85 h GLU 263 CO -0.01 0.15 0.00 1.28 -1.00 0.00 0.00 179.01 179.43 1q85 n LEU 264 N -3.34 2.47 0.00 1.33 4.77 -0.81 -4.91 117.00 116.50 1q85 n LEU 264 Ca -0.00 -1.24 0.00 0.00 -0.03 0.00 0.00 56.01 54.74 1q85 n LEU 264 Cb 0.37 -0.33 0.00 0.00 -2.33 0.00 0.00 43.42 41.13 1q85 n LEU 264 CO 0.31 0.55 0.00 0.61 -1.33 0.00 0.00 177.39 177.53 1q85 n GLY 265 N 1.05 0.58 3.71 -0.72 0.00 -0.91 -4.89 105.19 104.02 1q85 n GLY 265 Ca 0.14 -0.51 -0.41 0.00 0.00 0.00 0.00 46.02 45.25 1q85 n GLY 265 CO 0.00 0.00 0.00 1.55 0.00 0.00 0.00 173.32 174.87 1q85 n VAL 266 N -2.74 2.62 -0.03 1.61 3.14 -0.91 -4.53 118.33 117.49 1q85 n VAL 266 Ca 0.00 -0.50 -0.01 0.00 -2.96 0.00 0.00 64.34 60.87 1q85 n VAL 266 Cb 0.00 -1.62 -0.06 0.00 -1.06 0.00 0.00 33.84 31.10 1q85 n VAL 266 CO 0.00 0.00 0.00 0.59 -6.46 0.00 0.00 176.83 170.96 1q85 n ASN 267 N 0.12 3.05 -3.72 6.55 4.13 0.55 -4.77 115.26 121.16 1q85 n ASN 267 Ca 0.06 0.00 -0.14 0.00 1.68 0.00 0.00 54.58 56.19 1q85 n ASN 267 Cb 0.40 0.93 -0.14 0.00 -1.54 0.00 0.00 39.78 39.43 1q85 n ASN 267 CO 0.00 0.00 0.00 -0.63 0.28 0.00 0.00 177.26 176.91 1q85 s ILE 268 N -2.32 -0.12 0.01 2.41 1.01 -0.89 -1.30 121.20 119.99 1q85 s ILE 268 Ca -0.04 0.21 0.08 0.00 0.00 0.00 0.00 60.65 60.91 1q85 s ILE 268 Cb 0.03 -0.30 -0.02 0.00 0.01 0.00 0.00 42.46 42.18 1q85 s ILE 268 CO 0.33 0.09 -0.24 0.12 0.00 0.00 0.00 174.94 175.24 1q85 s PHE 269 N 1.52 2.12 0.00 3.97 2.19 -0.54 -2.17 117.98 125.07 1q85 s PHE 269 Ca -0.06 -0.40 -0.00 0.00 0.33 0.00 0.00 56.93 56.80 1q85 s PHE 269 Cb -0.11 -1.32 0.00 0.00 -1.31 0.00 0.00 43.02 40.27 1q85 s PHE 269 CO -0.07 0.02 0.01 0.41 1.83 0.00 0.00 175.22 177.42 1q85 n GLY 270 N 2.22 1.63 3.33 13.12 0.00 -0.81 0.21 105.19 124.89 1q85 n GLY 270 Ca -0.16 -0.97 -0.18 0.00 0.00 0.00 0.00 46.02 44.71 1q85 n GLY 270 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1q85 s GLY 271 N -1.46 1.39 0.00 -0.02 0.00 -1.16 -3.80 107.32 102.28 1q85 s GLY 271 Ca 0.00 -1.65 0.00 0.00 0.00 0.00 0.00 44.72 43.08 1q85 s GLY 271 CO 0.00 -1.74 0.00 0.00 0.00 0.00 0.00 173.10 171.36 1q85 n GLY 274 N 2.82 0.72 3.72 0.00 0.00 -1.26 -2.18 105.19 109.01 1q85 n GLY 274 Ca 0.19 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.80 1q85 n GLY 274 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1q85 s THR 275 N -2.25 4.71 0.45 2.61 2.01 -0.78 -4.75 115.64 117.63 1q85 s THR 275 Ca 0.00 1.94 0.06 0.00 0.31 0.00 0.00 61.69 64.00 1q85 s THR 275 Cb 0.00 -4.26 -0.03 0.00 0.01 0.00 0.00 72.50 68.21 1q85 s THR 275 CO 0.00 0.27 0.18 0.42 -0.69 0.00 0.00 174.62 174.80 1q85 s THR 276 N 0.41 2.03 0.52 -0.82 -4.23 -1.26 -1.63 115.64 110.66 1q85 s THR 276 Ca 0.46 -1.72 0.28 0.00 -1.18 0.00 0.00 61.69 59.54 1q85 s THR 276 Cb -0.22 -2.75 0.33 0.00 1.34 0.00 0.00 72.50 71.20 1q85 s THR 276 CO 0.27 0.00 2.18 -0.65 -0.54 0.00 0.00 174.62 175.88 1q85 h PRO 277 N 1.33 0.00 -0.30 3.99 0.11 -1.91 -1.01 132.00 134.20 1q85 h PRO 277 Ca -0.42 0.00 -0.13 0.00 0.11 0.00 0.00 66.00 65.55 1q85 h PRO 277 Cb 1.27 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.37 1q85 h PRO 277 CO 0.69 0.05 -0.36 1.49 -0.21 0.00 0.00 178.00 179.66 1q85 h GLU 278 N 0.00 0.69 0.05 1.05 4.81 -1.95 -1.11 114.58 118.12 1q85 h GLU 278 Ca -0.00 -0.34 -0.00 0.00 -0.13 0.00 0.00 59.36 58.89 1q85 h GLU 278 Cb 0.14 -0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.52 1q85 h GLU 278 CO 0.01 0.94 -0.02 0.45 -0.73 0.00 0.00 179.01 179.66 1q85 h HIS 279 N 0.57 -0.06 -0.94 0.92 3.86 -1.59 -2.93 115.15 114.99 1q85 h HIS 279 Ca 0.06 -0.00 0.06 0.00 -1.16 0.00 0.00 60.37 59.32 1q85 h HIS 279 Cb 0.89 0.02 -0.06 0.00 1.06 0.00 0.00 27.41 29.31 1q85 h HIS 279 CO 0.04 0.19 0.60 0.28 0.86 0.00 0.00 177.93 179.90 1q85 h VAL 280 N -0.30 1.08 -0.63 2.45 2.07 -1.32 -0.33 116.25 119.26 1q85 h VAL 280 Ca -0.01 -0.37 0.06 0.00 0.82 0.00 0.00 66.70 67.20 1q85 h VAL 280 Cb 0.27 -0.11 -0.06 0.00 -1.52 0.00 0.00 31.29 29.88 1q85 h VAL 280 CO 0.01 0.20 0.34 0.11 0.02 0.00 0.00 177.57 178.25 1q85 h LYS 281 N 1.09 0.60 -0.23 1.57 1.57 -1.14 0.18 116.57 120.21 1q85 h LYS 281 Ca 0.40 -0.04 -0.19 0.00 -1.87 0.00 0.00 60.65 58.96 1q85 h LYS 281 Cb 0.15 -0.14 0.00 0.00 0.08 0.00 0.00 32.23 32.33 1q85 h LYS 281 CO -0.17 0.40 -0.60 1.25 -0.57 0.00 0.00 179.45 179.76 1q85 h LEU 282 N 0.62 0.87 -1.07 2.94 5.85 -1.22 -2.97 115.31 120.34 1q85 h LEU 282 Ca 0.29 -0.49 0.02 0.00 0.84 0.00 0.00 57.88 58.54 1q85 h LEU 282 Cb 0.21 -0.25 -0.05 0.00 0.37 0.00 0.00 40.66 40.93 1q85 h LEU 282 CO -0.19 1.27 0.63 -0.26 -0.34 0.00 0.00 178.44 179.55 1q85 h PHE 283 N 0.58 1.17 -0.20 1.25 0.04 -0.30 -0.72 116.94 118.77 1q85 h PHE 283 Ca -0.00 0.03 0.02 0.00 2.80 0.00 0.00 57.97 60.82 1q85 h PHE 283 Cb 1.20 -0.40 -0.02 0.00 2.20 0.00 0.00 35.95 38.93 1q85 h PHE 283 CO 0.07 0.71 0.06 -0.09 -0.60 0.00 0.00 178.31 178.46 1q85 h ARG 284 N 1.24 0.14 -0.45 1.51 9.65 -0.88 0.26 114.38 125.86 1q85 h ARG 284 Ca 0.36 -0.01 0.00 0.00 -1.10 0.00 0.00 59.98 59.23 1q85 h ARG 284 Cb -0.08 -0.03 -0.02 0.00 -1.39 0.00 0.00 29.97 28.45 1q85 h ARG 284 CO -0.09 0.09 0.28 0.87 2.80 0.00 0.00 179.97 183.92 1q85 h LYS 285 N 0.14 0.60 -0.12 0.20 1.57 -1.21 -1.19 116.57 116.57 1q85 h LYS 285 Ca 0.09 -0.05 -0.22 0.00 -1.87 0.00 0.00 60.65 58.60 1q85 h LYS 285 Cb 0.06 -0.13 0.01 0.00 0.08 0.00 0.00 32.23 32.26 1q85 h LYS 285 CO -0.10 0.42 -0.78 0.28 -0.57 0.00 0.00 179.45 178.71 1q85 h VAL 286 N 0.60 1.29 -0.13 0.50 2.07 -1.01 -3.30 116.25 116.27 1q85 h VAL 286 Ca 0.16 -1.99 -0.02 0.00 0.82 0.00 0.00 66.70 65.67 1q85 h VAL 286 Cb -0.03 2.08 -0.00 0.00 -1.52 0.00 0.00 31.29 31.81 1q85 h VAL 286 CO -0.03 0.62 0.00 0.25 0.02 0.00 0.00 177.57 178.44 1q85 h LEU 287 N 0.45 0.23 0.00 2.57 5.85 -0.42 -3.48 115.31 120.51 1q85 h LEU 287 Ca -0.06 -0.30 0.00 0.00 0.84 0.00 0.00 57.88 58.35 1q85 h LEU 287 Cb 1.41 -0.06 0.00 0.00 0.37 0.00 0.00 40.66 42.38 1q85 h LEU 287 CO 0.16 0.47 0.00 0.61 -0.34 0.00 0.00 178.44 179.34 1q85 n GLY 288 N -0.30 2.38 3.14 3.75 0.00 -0.46 -4.37 105.19 109.34 1q85 n GLY 288 Ca -0.06 -0.48 -0.34 0.00 0.00 0.00 0.00 46.02 45.14 1q85 n GLY 288 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 1q85 s ASN 289 N -4.00 4.81 0.04 1.61 2.47 -1.26 -4.99 114.94 113.62 1q85 s ASN 289 Ca 0.00 -1.39 0.04 0.00 0.42 0.00 0.00 52.86 51.93 1q85 s ASN 289 Cb 0.00 -1.68 -0.02 0.00 -1.45 0.00 0.00 41.25 38.10 1q85 s ASN 289 CO 0.00 -0.27 -0.11 -0.13 -3.72 0.00 0.00 177.10 172.87 1q85 s ARG 290 N 1.20 0.76 -0.13 0.43 0.52 -1.26 -5.05 118.95 115.42 1q85 s ARG 290 Ca -0.04 -0.70 -0.14 0.00 -0.52 0.00 0.00 55.73 54.32 1q85 s ARG 290 Cb -0.20 -0.71 -0.05 0.00 0.52 0.00 0.00 34.95 34.52 1q85 s ARG 290 CO -0.02 0.17 0.32 0.21 0.02 0.00 0.00 175.30 176.00 1q85 s LYS 291 N -1.17 4.18 0.60 3.54 2.20 -1.26 -0.61 119.74 127.23 1q85 s LYS 291 Ca -0.01 0.17 -0.18 0.00 -0.36 0.00 0.00 55.97 55.59 1q85 s LYS 291 Cb -0.08 -3.39 -0.05 0.00 -1.51 0.00 0.00 37.83 32.80 1q85 s LYS 291 CO 0.01 0.31 0.87 -2.30 -0.36 0.00 0.00 175.35 173.89 1q85 n PRO 292 N 3.28 0.80 -3.10 4.03 -0.02 -1.26 -4.88 135.00 133.84 1q85 n PRO 292 Ca -0.12 0.31 -0.34 0.00 -2.02 0.00 0.00 63.50 61.33 1q85 n PRO 292 Cb 0.52 -2.08 -0.06 0.00 -0.02 0.00 0.00 33.50 31.86 1q85 n PRO 292 CO 0.00 0.00 0.00 -0.51 1.98 0.00 0.00 175.50 176.97 1q85 s LEU 293 N -1.53 4.16 0.41 2.45 1.02 -1.26 -5.06 118.68 118.86 1q85 s LEU 293 Ca 0.75 1.36 -0.21 0.00 0.02 0.00 0.00 54.13 56.05 1q85 s LEU 293 Cb -0.42 -3.93 -0.11 0.00 0.02 0.00 0.00 46.19 41.75 1q85 s LEU 293 CO 0.48 -0.13 0.92 -1.10 0.02 0.00 0.00 176.35 176.54 1q85 s GLN 294 N -2.63 4.24 0.06 1.70 -1.52 -1.26 -4.73 119.66 115.52 1q85 s GLN 294 Ca 0.51 1.08 0.03 0.00 -1.95 0.00 0.00 55.36 55.03 1q85 s GLN 294 Cb -0.13 -2.27 -0.03 0.00 -0.22 0.00 0.00 33.01 30.36 1q85 s GLN 294 CO 0.19 0.02 -0.09 1.03 -0.25 0.00 0.00 175.29 176.19 1q85 s ARG 295 N -3.04 0.67 -0.22 2.91 0.52 -1.26 -4.96 118.95 113.57 1q85 s ARG 295 Ca 0.60 -0.93 0.01 0.00 -0.52 0.00 0.00 55.73 54.89 1q85 s ARG 295 Cb -0.10 -0.43 0.05 0.00 0.52 0.00 0.00 34.95 34.99 1q85 s ARG 295 CO 0.15 0.08 -0.09 0.21 0.02 0.00 0.00 175.30 175.66 1q85 s LYS 296 N -2.05 1.96 0.52 3.54 2.36 -1.26 -5.02 119.74 119.79 1q85 s LYS 296 Ca -0.04 -0.98 -0.17 0.00 -2.55 0.00 0.00 55.97 52.23 1q85 s LYS 296 Cb -0.07 -2.56 -0.08 0.00 -1.05 0.00 0.00 37.83 34.07 1q85 s LYS 296 CO 0.00 -0.50 1.00 -1.59 1.55 0.00 0.00 175.35 175.81 1q85 s LYS 297 N 1.34 3.86 0.25 4.03 -2.85 -1.26 -4.97 119.74 120.14 1q85 s LYS 297 Ca -0.04 1.06 -0.21 0.00 -1.00 0.00 0.00 55.97 55.78 1q85 s LYS 297 Cb -0.18 -2.12 -0.09 0.00 -2.06 0.00 0.00 37.83 33.39 1q85 s LYS 297 CO -0.07 -0.35 0.78 0.15 0.10 0.00 0.00 175.35 175.96 1q85 s LYS 298 N -3.87 4.33 -0.08 1.78 1.02 0.54 -5.01 119.74 118.44 1q85 s LYS 298 Ca 0.61 0.99 0.04 0.00 0.02 0.00 0.00 55.97 57.62 1q85 s LYS 298 Cb -0.11 -2.84 -0.01 0.00 -0.52 0.00 0.00 37.83 34.35 1q85 s LYS 298 CO 0.29 0.35 -0.20 0.50 -0.92 0.00 0.00 175.35 175.37 1q85 s ARG 299 N -2.04 2.82 0.05 1.68 6.06 -1.26 -4.72 118.95 121.54 1q85 s ARG 299 Ca 0.45 -0.81 -0.03 0.00 -2.50 0.00 0.00 55.73 52.85 1q85 s ARG 299 Cb -0.17 -2.34 -0.03 0.00 0.06 0.00 0.00 34.95 32.47 1q85 s ARG 299 CO 0.21 0.36 0.02 0.96 -2.50 0.00 0.00 175.30 174.35 1q85 s ILE 300 N -0.07 0.19 -0.41 4.11 -4.36 -1.26 -5.12 121.20 114.28 1q85 s ILE 300 Ca -0.05 -1.57 -0.14 0.00 -0.26 0.00 0.00 60.65 58.63 1q85 s ILE 300 Cb -0.14 -1.34 0.03 0.00 1.25 0.00 0.00 42.46 42.27 1q85 s ILE 300 CO 0.04 -0.87 0.29 0.12 0.24 0.00 0.00 174.94 174.77 1q85 s PHE 301 N -3.60 3.25 0.05 1.37 2.19 -1.26 -5.05 117.98 114.92 1q85 s PHE 301 Ca 0.04 -0.77 -0.09 0.00 0.33 0.00 0.00 56.93 56.43 1q85 s PHE 301 Cb 0.05 -2.67 0.00 0.00 -1.31 0.00 0.00 43.02 39.09 1q85 s PHE 301 CO -0.09 -0.65 0.19 0.00 1.83 0.00 0.00 175.22 176.50 1q85 s ALA 302 N 1.63 -0.34 0.23 11.12 0.00 -1.26 -1.51 121.76 131.63 1q85 s ALA 302 Ca 0.04 -0.33 0.09 0.00 0.00 0.00 0.00 51.96 51.76 1q85 s ALA 302 Cb -0.20 0.31 -0.05 0.00 0.00 0.00 0.00 23.12 23.18 1q85 s ALA 302 CO 0.08 -0.38 -0.16 0.14 0.00 0.00 0.00 175.76 175.44 1q85 s VAL 303 N -2.75 1.96 0.17 0.00 -7.23 -0.82 -4.94 120.40 106.79 1q85 s VAL 303 Ca -0.04 -2.27 -0.09 0.00 -1.81 0.00 0.00 61.98 57.77 1q85 s VAL 303 Cb -0.00 -2.13 -0.01 0.00 0.56 0.00 0.00 36.38 34.81 1q85 s VAL 303 CO -0.05 -0.53 0.30 -0.94 -0.31 0.00 0.00 175.10 173.56 1q85 s SER 304 N -3.38 0.03 0.40 4.85 1.04 0.13 -0.91 113.70 115.85 1q85 s SER 304 Ca 0.25 -0.86 0.04 0.00 0.48 0.00 0.00 55.95 55.85 1q85 s SER 304 Cb -0.02 0.44 -0.03 0.00 0.10 0.00 0.00 66.02 66.51 1q85 s SER 304 CO 0.09 -0.90 0.11 -0.94 0.98 0.00 0.00 173.24 172.58 1q85 s SER 305 N -2.97 2.76 0.39 7.02 1.04 -0.05 -3.01 113.70 118.88 1q85 s SER 305 Ca 0.17 -1.61 0.07 0.00 0.48 0.00 0.00 55.95 55.06 1q85 s SER 305 Cb 0.03 0.39 0.82 0.00 0.10 0.00 0.00 66.02 67.37 1q85 s SER 305 CO 0.00 -0.86 2.00 -0.65 0.98 0.00 0.00 173.24 174.70 1q85 h PRO 306 N 1.83 0.62 -0.01 4.02 0.11 -1.81 -3.17 132.00 133.61 1q85 h PRO 306 Ca -0.37 -0.04 0.00 0.00 0.11 0.00 0.00 66.00 65.70 1q85 h PRO 306 Cb 1.27 -0.14 0.00 0.00 0.11 0.00 0.00 31.00 32.24 1q85 h PRO 306 CO 0.60 0.41 -0.24 -1.13 -0.21 0.00 0.00 178.00 177.43 1q85 n SER 307 N -4.47 1.10 -4.08 -2.05 3.41 -1.25 -1.37 113.62 104.91 1q85 n SER 307 Ca 0.08 -1.05 -0.25 0.00 -0.26 0.00 0.00 58.87 57.39 1q85 n SER 307 Cb 0.19 0.54 -0.16 0.00 -0.26 0.00 0.00 64.21 64.53 1q85 n SER 307 CO 0.00 0.00 0.00 -0.54 -0.16 0.00 0.00 175.04 174.34 1q85 s LYS 308 N -1.43 1.66 -0.29 4.33 -0.14 -1.20 -4.85 119.74 117.83 1q85 s LYS 308 Ca 0.08 -0.50 -0.01 0.00 -1.36 0.00 0.00 55.97 54.17 1q85 s LYS 308 Cb 0.08 -1.42 0.05 0.00 -1.68 0.00 0.00 37.83 34.86 1q85 s LYS 308 CO 0.27 0.15 -0.02 -1.17 -0.76 0.00 0.00 175.35 173.82 1q85 s LEU 309 N 0.28 3.73 -0.46 3.17 2.96 -1.26 -0.87 118.68 126.23 1q85 s LEU 309 Ca -0.08 -1.22 -0.14 0.00 -0.22 0.00 0.00 54.13 52.47 1q85 s LEU 309 Cb -0.13 -1.68 0.07 0.00 0.50 0.00 0.00 46.19 44.95 1q85 s LEU 309 CO 0.03 -0.23 0.37 -0.69 -1.32 0.00 0.00 176.35 174.50 1q85 s VAL 310 N 1.25 5.02 0.07 1.68 1.01 -0.09 -4.98 120.40 124.35 1q85 s VAL 310 Ca -0.05 -1.14 -0.19 0.00 0.00 0.00 0.00 61.98 60.61 1q85 s VAL 310 Cb -0.19 -4.01 -0.07 0.00 0.00 0.00 0.00 36.38 32.11 1q85 s VAL 310 CO -0.02 -0.56 0.55 -0.89 0.00 0.00 0.00 175.10 174.17 1q85 s THR 311 N 1.60 4.78 -1.40 3.92 2.01 -1.26 -1.95 115.64 123.34 1q85 s THR 311 Ca 0.04 1.16 -0.07 0.00 0.31 0.00 0.00 61.69 63.12 1q85 s THR 311 Cb -0.24 -3.87 0.07 0.00 0.01 0.00 0.00 72.50 68.47 1q85 s THR 311 CO 0.06 0.54 2.48 0.49 -0.69 0.00 0.00 174.62 177.50 1q85 n PHE 312 N 1.68 2.61 -0.02 4.92 3.72 -0.57 -4.25 117.46 125.55 1q85 n PHE 312 Ca -0.10 -2.89 0.03 0.00 -0.05 0.00 0.00 57.45 54.44 1q85 n PHE 312 Cb 0.51 -2.02 0.07 0.00 -0.94 0.00 0.00 39.48 37.10 1q85 n PHE 312 CO 0.00 0.00 0.00 -0.40 -0.05 0.00 0.00 176.76 176.31 1q85 n ASP 313 N 2.46 2.30 -3.94 4.37 5.68 -1.26 -4.95 116.55 121.21 1q85 n ASP 313 Ca 0.64 -1.84 -0.09 0.00 -0.50 0.00 0.00 54.79 53.01 1q85 n ASP 313 Cb 0.26 -0.10 -0.05 0.00 -1.14 0.00 0.00 41.12 40.09 1q85 n ASP 313 CO 0.00 0.00 0.00 -1.38 -1.33 0.00 0.00 177.20 174.49 1q85 s HIS 314 N -0.90 0.21 -0.04 2.11 -3.43 -1.26 -5.12 115.29 106.86 1q85 s HIS 314 Ca 0.12 -0.59 -0.30 0.00 -0.80 0.00 0.00 55.06 53.49 1q85 s HIS 314 Cb 0.06 0.29 -0.06 0.00 -1.43 0.00 0.00 32.58 31.45 1q85 s HIS 314 CO 0.09 -1.02 1.63 0.12 -2.00 0.00 0.00 174.74 173.56 1q85 s PHE 315 N -3.98 2.10 -0.27 0.38 5.36 -1.26 -4.88 117.98 115.43 1q85 s PHE 315 Ca 0.19 0.27 -0.11 0.00 -0.96 0.00 0.00 56.93 56.31 1q85 s PHE 315 Cb -0.01 -3.89 -0.05 0.00 -0.34 0.00 0.00 43.02 38.72 1q85 s PHE 315 CO 0.07 -3.70 0.19 0.08 -1.46 0.00 0.00 175.22 170.39 1q85 s VAL 316 N 3.79 5.32 -0.23 3.12 1.01 -0.18 -4.97 120.40 128.26 1q85 s VAL 316 Ca 0.72 0.18 -0.22 0.00 0.00 0.00 0.00 61.98 62.66 1q85 s VAL 316 Cb -0.33 -3.53 -0.02 0.00 0.00 0.00 0.00 36.38 32.50 1q85 s VAL 316 CO 0.29 0.27 0.70 -0.69 0.00 0.00 0.00 175.10 175.68 1q85 s VAL 317 N 1.58 4.94 -0.33 2.92 1.01 -1.26 -2.71 120.40 126.55 1q85 s VAL 317 Ca 0.07 1.31 -0.07 0.00 0.00 0.00 0.00 61.98 63.30 1q85 s VAL 317 Cb -0.15 -4.01 0.03 0.00 0.00 0.00 0.00 36.38 32.25 1q85 s VAL 317 CO 0.09 0.02 0.11 -0.63 0.00 0.00 0.00 175.10 174.69 1q85 s ILE 318 N 2.39 3.89 0.10 2.22 1.01 -0.49 -0.97 121.20 129.35 1q85 s ILE 318 Ca 0.30 -1.00 -0.31 0.00 0.00 0.00 0.00 60.65 59.64 1q85 s ILE 318 Cb -0.16 -3.15 -0.09 0.00 0.01 0.00 0.00 42.46 39.07 1q85 s ILE 318 CO 0.09 -0.12 1.70 -0.83 0.00 0.00 0.00 174.94 175.78 1q85 s GLY 319 N 1.44 1.48 0.14 6.18 0.00 0.87 -4.07 107.32 113.35 1q85 s GLY 319 Ca -0.00 1.31 0.23 0.00 0.00 0.00 0.00 44.72 46.26 1q85 s GLY 319 CO 0.03 2.95 1.12 -1.84 0.00 0.00 0.00 173.10 175.36 1q85 n GLU 320 N 5.43 0.43 -0.26 2.90 0.28 -1.26 -0.24 120.64 127.92 1q85 n GLU 320 Ca 0.16 0.07 0.17 0.00 -0.16 0.00 0.00 57.16 57.41 1q85 n GLU 320 Cb 0.39 -1.72 0.46 0.00 1.43 0.00 0.00 31.44 32.00 1q85 n GLU 320 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 177.13 176.97 1q85 h ARG 321 N 0.00 0.50 -4.86 3.44 3.08 -1.91 -3.32 114.38 111.31 1q85 h ARG 321 Ca 0.00 -0.03 -0.65 0.00 0.07 0.00 0.00 59.98 59.37 1q85 h ARG 321 Cb 0.85 -0.11 -0.04 0.00 0.08 0.00 0.00 29.97 30.75 1q85 h ARG 321 CO 0.00 0.33 2.48 -0.89 -1.07 0.00 0.00 179.97 180.81 1q85 n ILE 322 N -4.56 3.21 -3.46 2.04 5.41 -1.26 -4.68 119.36 116.06 1q85 n ILE 322 Ca 0.19 -3.06 -0.08 0.00 1.00 0.00 0.00 62.75 60.81 1q85 n ILE 322 Cb 0.64 -2.43 -0.08 0.00 -0.71 0.00 0.00 39.64 37.05 1q85 n ILE 322 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 176.55 176.76 1q85 s ASN 323 N 4.17 -0.10 0.04 4.38 3.84 -1.25 -1.67 114.94 124.35 1q85 s ASN 323 Ca 0.53 0.60 0.10 0.00 0.21 0.00 0.00 52.86 54.30 1q85 s ASN 323 Cb 0.09 1.31 0.43 0.00 -0.55 0.00 0.00 41.25 42.53 1q85 s ASN 323 CO 0.02 -0.27 1.30 -0.81 -2.79 0.00 0.00 177.10 174.56 1q85 n PRO 324 N 5.38 0.02 -1.67 0.43 -0.04 -1.26 -4.72 135.00 133.14 1q85 n PRO 324 Ca -0.05 0.39 -0.43 0.00 -0.04 0.00 0.00 63.50 63.37 1q85 n PRO 324 Cb 0.50 -1.56 -0.03 0.00 -0.04 0.00 0.00 33.50 32.37 1q85 n PRO 324 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1q85 n ALA 325 N -1.54 1.72 -1.24 0.55 0.00 -1.26 -1.54 120.51 117.20 1q85 n ALA 325 Ca 0.02 0.24 -0.08 0.00 0.00 0.00 0.00 53.44 53.62 1q85 n ALA 325 Cb 0.10 -2.65 -0.04 0.00 0.00 0.00 0.00 19.45 16.86 1q85 n ALA 325 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1q85 n GLY 326 N 4.46 1.00 2.77 0.00 0.00 -1.26 -4.98 105.19 107.17 1q85 n GLY 326 Ca 0.20 -0.48 -0.30 0.00 0.00 0.00 0.00 46.02 45.44 1q85 n GLY 326 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1q85 s ARG 327 N -2.53 0.97 0.08 1.61 0.52 -0.59 -5.04 118.95 113.98 1q85 s ARG 327 Ca 0.00 -1.43 -0.30 0.00 -0.52 0.00 0.00 55.73 53.48 1q85 s ARG 327 Cb 0.00 -2.25 -0.13 0.00 0.52 0.00 0.00 34.95 33.09 1q85 s ARG 327 CO 0.00 -1.03 1.48 0.87 0.02 0.00 0.00 175.30 176.64 1q85 h LYS 328 N 7.66 -0.69 -0.73 3.54 1.57 -1.94 -1.50 116.57 124.49 1q85 h LYS 328 Ca -0.09 0.05 0.06 0.00 -1.87 0.00 0.00 60.65 58.80 1q85 h LYS 328 Cb 0.99 0.16 -0.06 0.00 0.08 0.00 0.00 32.23 33.40 1q85 h LYS 328 CO 0.48 -0.46 0.42 -0.22 -0.57 0.00 0.00 179.45 179.10 1q85 h LYS 329 N -0.72 0.75 -0.14 3.15 1.63 -1.96 -2.24 116.57 117.03 1q85 h LYS 329 Ca -0.02 -0.04 -0.04 0.00 -0.85 0.00 0.00 60.65 59.70 1q85 h LYS 329 Cb 0.69 -0.17 -0.00 0.00 -0.60 0.00 0.00 32.23 32.14 1q85 h LYS 329 CO -0.19 0.49 -0.06 1.25 -3.45 0.00 0.00 179.45 177.49 1q85 h LEU 330 N 0.77 0.30 -0.72 5.20 5.85 -1.91 -1.51 115.31 123.28 1q85 h LEU 330 Ca 0.32 -0.40 0.06 0.00 0.84 0.00 0.00 57.88 58.70 1q85 h LEU 330 Cb 0.19 -0.08 -0.06 0.00 0.37 0.00 0.00 40.66 41.08 1q85 h LEU 330 CO -0.18 0.64 0.42 -0.25 -0.34 0.00 0.00 178.44 178.72 1q85 h TRP 331 N -0.03 0.77 -0.35 1.25 -0.00 -1.17 -2.43 115.95 113.99 1q85 h TRP 331 Ca 0.03 0.03 -0.06 0.00 -0.00 0.00 0.00 58.89 58.88 1q85 h TRP 331 Cb 0.52 -0.24 -0.01 0.00 -0.00 0.00 0.00 29.16 29.43 1q85 h TRP 331 CO 0.06 0.37 -0.03 0.00 -0.00 0.00 0.00 178.44 178.85 1q85 h ALA 332 N 1.37 0.48 0.00 2.65 0.00 -1.37 -2.32 119.26 120.06 1q85 h ALA 332 Ca 0.32 -0.27 0.00 0.00 0.00 0.00 0.00 54.91 54.97 1q85 h ALA 332 Cb 0.19 -0.13 0.00 0.00 0.00 0.00 0.00 17.79 17.85 1q85 h ALA 332 CO -0.18 0.28 0.00 0.39 0.00 0.00 0.00 179.25 179.73 1q85 n GLU 333 N -4.47 0.31 0.00 0.00 -0.58 -0.57 -2.56 120.64 112.77 1q85 n GLU 333 Ca -0.02 0.00 0.00 0.00 -0.42 0.00 0.00 57.16 56.72 1q85 n GLU 333 Cb 0.30 -1.35 0.00 0.00 -0.57 0.00 0.00 31.44 29.82 1q85 n GLU 333 CO 0.00 0.00 0.00 0.94 -0.48 0.00 0.00 177.13 177.59 1q85 n GLN 335 N 1.00 0.00 -0.70 3.49 -0.06 -0.88 -0.77 117.38 119.46 1q85 n GLN 335 Ca 0.00 0.00 0.08 0.00 -2.00 0.00 0.00 57.00 55.08 1q85 n GLN 335 Cb 0.15 -0.08 0.37 0.00 -4.06 0.00 0.00 30.24 26.62 1q85 n GLN 335 CO 0.00 0.00 0.00 0.36 -0.20 0.00 0.00 177.06 177.22 1q85 n LYS 336 N 0.00 4.12 -3.29 3.69 2.85 -1.06 -4.85 118.16 119.63 1q85 n LYS 336 Ca 0.00 -2.98 -0.17 0.00 -1.05 0.00 0.00 58.31 54.11 1q85 n LYS 336 Cb 0.00 -2.02 0.06 0.00 -0.65 0.00 0.00 35.03 32.42 1q85 n LYS 336 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 177.40 177.76 1q85 n GLY 337 N 0.80 -0.15 3.56 2.58 0.00 -0.92 -4.96 105.19 106.10 1q85 n GLY 337 Ca 0.26 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.86 1q85 n GLY 337 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 1q85 s ASN 338 N -3.30 6.43 -0.07 1.61 3.84 0.05 -4.88 114.94 118.62 1q85 s ASN 338 Ca 0.40 -0.02 -0.25 0.00 0.21 0.00 0.00 52.86 53.20 1q85 s ASN 338 Cb -0.17 -2.50 -0.26 0.00 -0.55 0.00 0.00 41.25 37.77 1q85 s ASN 338 CO 0.54 -1.31 0.93 -0.33 -2.79 0.00 0.00 177.10 174.13 1q85 h GLU 339 N 9.37 0.16 -0.96 0.43 5.08 -1.93 -3.36 114.58 123.37 1q85 h GLU 339 Ca -0.25 -0.22 0.18 0.00 -1.00 0.00 0.00 59.36 58.07 1q85 h GLU 339 Cb 1.07 0.07 -0.10 0.00 0.50 0.00 0.00 28.75 30.29 1q85 h GLU 339 CO 1.12 1.03 0.56 0.93 -1.00 0.00 0.00 179.01 181.65 1q85 h GLU 340 N -0.59 0.70 -0.18 2.33 4.39 -1.99 -0.37 114.58 118.87 1q85 h GLU 340 Ca -0.05 -0.04 -0.06 0.00 0.34 0.00 0.00 59.36 59.55 1q85 h GLU 340 Cb 1.17 -0.16 -0.01 0.00 -0.10 0.00 0.00 28.75 29.65 1q85 h GLU 340 CO 0.06 0.46 -0.15 0.97 -1.16 0.00 0.00 179.01 179.19 1q85 h ILE 341 N 0.72 1.20 -0.09 3.13 2.10 -1.99 -0.98 117.51 121.61 1q85 h ILE 341 Ca 0.55 -0.91 -0.15 0.00 1.08 0.00 0.00 64.86 65.43 1q85 h ILE 341 Cb 0.83 1.24 0.01 0.00 -1.09 0.00 0.00 36.82 37.81 1q85 h ILE 341 CO -0.38 0.28 -0.51 0.58 -1.08 0.00 0.00 178.15 177.04 1q85 h VAL 342 N 0.28 1.37 -0.52 2.19 2.07 -1.27 -2.49 116.25 117.88 1q85 h VAL 342 Ca 0.05 -1.85 0.09 0.00 0.82 0.00 0.00 66.70 65.81 1q85 h VAL 342 Cb 0.44 2.24 -0.03 0.00 -1.52 0.00 0.00 31.29 32.42 1q85 h VAL 342 CO 0.03 0.55 0.35 0.40 0.02 0.00 0.00 177.57 178.92 1q85 h ILE 343 N 0.09 0.91 -0.11 4.57 2.04 -0.89 -0.43 117.51 123.69 1q85 h ILE 343 Ca -0.04 -0.12 -0.04 0.00 1.00 0.00 0.00 64.86 65.67 1q85 h ILE 343 Cb 1.16 0.54 -0.00 0.00 -0.74 0.00 0.00 36.82 37.78 1q85 h ILE 343 CO 0.11 0.06 -0.07 0.50 0.00 0.00 0.00 178.15 178.75 1q85 h LYS 344 N 0.34 0.24 0.00 2.37 3.64 -1.06 -2.16 116.57 119.93 1q85 h LYS 344 Ca 0.24 -0.11 -0.04 0.00 -1.27 0.00 0.00 60.65 59.46 1q85 h LYS 344 Cb 0.49 -0.00 -0.01 0.00 -0.41 0.00 0.00 32.23 32.31 1q85 h LYS 344 CO -0.06 0.61 -0.19 0.93 -2.27 0.00 0.00 179.45 178.48 1q85 h GLU 345 N -0.14 0.00 0.22 1.90 4.39 -0.84 -2.26 114.58 117.85 1q85 h GLU 345 Ca 0.02 0.00 -0.01 0.00 0.34 0.00 0.00 59.36 59.71 1q85 h GLU 345 Cb 0.55 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.21 1q85 h GLU 345 CO 0.02 0.19 -0.11 0.00 -1.16 0.00 0.00 179.01 177.95 1q85 h ALA 346 N 1.81 -0.30 -0.29 3.43 0.00 -1.01 -2.72 119.26 120.19 1q85 h ALA 346 Ca -0.00 -0.21 0.02 0.00 0.00 0.00 0.00 54.91 54.72 1q85 h ALA 346 Cb 0.36 0.11 -0.02 0.00 0.00 0.00 0.00 17.79 18.24 1q85 h ALA 346 CO 0.02 -0.42 0.14 0.87 0.00 0.00 0.00 179.25 179.86 1q85 h LYS 347 N -0.78 0.30 -0.42 0.00 1.57 -1.29 -1.75 116.57 114.19 1q85 h LYS 347 Ca -0.03 -0.02 0.02 0.00 -1.87 0.00 0.00 60.65 58.75 1q85 h LYS 347 Cb 0.51 -0.07 -0.03 0.00 0.08 0.00 0.00 32.23 32.72 1q85 h LYS 347 CO 0.05 0.20 0.24 1.15 -0.57 0.00 0.00 179.45 180.52 1q85 h THR 348 N 0.30 1.03 -0.70 -0.16 2.02 -1.51 0.26 112.91 114.15 1q85 h THR 348 Ca 0.12 -0.17 0.02 0.00 0.77 0.00 0.00 66.41 67.15 1q85 h THR 348 Cb 0.04 0.50 -0.04 0.00 -1.74 0.00 0.00 68.15 66.91 1q85 h THR 348 CO -0.08 0.09 0.46 1.56 0.37 0.00 0.00 175.52 177.91 1q85 h GLN 349 N 0.49 0.89 -0.39 6.66 4.20 -1.21 -0.67 115.11 125.07 1q85 h GLN 349 Ca 0.17 -0.05 -0.08 0.00 0.06 0.00 0.00 58.65 58.75 1q85 h GLN 349 Cb 0.03 -0.20 -0.01 0.00 0.30 0.00 0.00 27.48 27.59 1q85 h GLN 349 CO -0.09 0.59 -0.06 0.28 -0.67 0.00 0.00 178.83 178.88 1q85 h VAL 350 N 0.92 1.27 -0.98 -0.54 2.07 -0.80 -1.63 116.25 116.55 1q85 h VAL 350 Ca 0.27 -1.12 0.12 0.00 0.82 0.00 0.00 66.70 66.79 1q85 h VAL 350 Cb -0.06 1.19 -0.08 0.00 -1.52 0.00 0.00 31.29 30.82 1q85 h VAL 350 CO -0.07 0.37 0.62 -0.33 0.02 0.00 0.00 177.57 178.18 1q85 h GLU 351 N 0.55 0.90 0.00 1.57 5.08 -0.07 -0.07 114.58 122.55 1q85 h GLU 351 Ca 0.10 -0.05 0.00 0.00 -1.00 0.00 0.00 59.36 58.41 1q85 h GLU 351 Cb 0.56 -0.20 0.00 0.00 0.50 0.00 0.00 28.75 29.61 1q85 h GLU 351 CO 0.03 0.60 0.00 1.63 -1.00 0.00 0.00 179.01 180.27 1q85 n LYS 352 N -4.60 0.77 0.00 2.33 4.01 -0.30 -4.89 118.16 115.48 1q85 n LYS 352 Ca 0.19 0.00 0.00 0.00 -0.51 0.00 0.00 58.31 57.99 1q85 n LYS 352 Cb 0.38 -1.50 0.00 0.00 -0.51 0.00 0.00 35.03 33.40 1q85 n LYS 352 CO 0.00 0.00 0.00 0.41 -1.11 0.00 0.00 177.40 176.70 1q85 n GLY 353 N 1.06 1.13 3.72 0.72 0.00 -0.04 -4.94 105.19 106.85 1q85 n GLY 353 Ca 0.20 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.80 1q85 n GLY 353 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1q85 s ALA 354 N -1.76 3.67 -0.38 4.61 0.00 -0.66 -4.72 121.76 122.52 1q85 s ALA 354 Ca 0.00 1.24 0.22 0.00 0.00 0.00 0.00 51.96 53.42 1q85 s ALA 354 Cb 0.00 -3.57 -0.26 0.00 0.00 0.00 0.00 23.12 19.29 1q85 s ALA 354 CO 0.00 -0.69 0.67 0.39 0.00 0.00 0.00 175.76 176.13 1q85 n GLU 355 N 3.71 0.43 -3.87 0.00 1.02 -0.14 -4.47 120.64 117.32 1q85 n GLU 355 Ca 0.12 -0.11 -0.11 0.00 -0.02 0.00 0.00 57.16 57.03 1q85 n GLU 355 Cb 0.41 -1.53 -0.10 0.00 -0.02 0.00 0.00 31.44 30.19 1q85 n GLU 355 CO 0.00 0.00 0.00 0.08 1.18 0.00 0.00 177.13 178.39 1q85 s VAL 356 N -3.33 0.07 -0.13 2.62 1.01 -1.01 -4.12 120.40 115.50 1q85 s VAL 356 Ca -0.02 -0.57 0.02 0.00 0.00 0.00 0.00 61.98 61.41 1q85 s VAL 356 Cb 0.14 -0.39 0.00 0.00 0.00 0.00 0.00 36.38 36.14 1q85 s VAL 356 CO 0.88 -0.31 -0.20 -0.76 0.00 0.00 0.00 175.10 174.71 1q85 s LEU 357 N -1.11 2.26 0.25 3.92 1.43 -0.95 -0.09 118.68 124.39 1q85 s LEU 357 Ca -0.12 -0.53 -0.29 0.00 -1.03 0.00 0.00 54.13 52.16 1q85 s LEU 357 Cb -0.06 -1.48 -0.09 0.00 0.03 0.00 0.00 46.19 44.58 1q85 s LEU 357 CO 0.01 0.11 0.93 -0.62 0.23 0.00 0.00 176.35 177.01 1q85 s ASP 358 N 0.64 7.59 -0.08 2.29 2.15 0.67 -0.73 116.67 129.18 1q85 s ASP 358 Ca -0.10 1.91 -0.00 0.00 0.43 0.00 0.00 52.55 54.79 1q85 s ASP 358 Cb -0.16 -2.60 0.02 0.00 -0.30 0.00 0.00 42.92 39.88 1q85 s ASP 358 CO 0.02 0.13 -0.05 -0.69 -0.17 0.00 0.00 175.17 174.41 1q85 s VAL 359 N -1.24 0.76 -0.01 1.11 1.01 -0.27 -4.07 120.40 117.69 1q85 s VAL 359 Ca 0.42 -0.16 0.02 0.00 0.00 0.00 0.00 61.98 62.26 1q85 s VAL 359 Cb -0.25 -0.81 -0.00 0.00 0.00 0.00 0.00 36.38 35.32 1q85 s VAL 359 CO 0.30 0.31 -0.05 0.21 0.00 0.00 0.00 175.10 175.88 1q85 s ASN 360 N 1.55 0.65 -0.54 3.32 3.84 -0.67 -0.96 114.94 122.13 1q85 s ASN 360 Ca 0.00 -0.10 0.02 0.00 0.21 0.00 0.00 52.86 52.99 1q85 s ASN 360 Cb -0.13 -0.11 0.44 0.00 -0.55 0.00 0.00 41.25 40.90 1q85 s ASN 360 CO -0.05 0.05 1.69 0.49 -2.79 0.00 0.00 177.10 176.49 1q85 n PHE 361 N 3.11 3.05 0.00 0.43 3.01 -1.26 -4.16 117.46 121.64 1q85 n PHE 361 Ca -0.15 -2.70 0.00 0.00 1.01 0.00 0.00 57.45 55.62 1q85 n PHE 361 Cb 0.57 -0.96 0.00 0.00 -0.01 0.00 0.00 39.48 39.08 1q85 n PHE 361 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 1q85 n GLY 362 N -0.79 2.42 3.54 1.37 0.00 -1.26 -3.39 105.19 107.09 1q85 n GLY 362 Ca 0.54 0.24 -0.41 0.00 0.00 0.00 0.00 46.02 46.39 1q85 n GLY 362 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1q85 s ILE 363 N 0.00 4.02 0.31 -0.61 -1.09 -1.26 -4.87 121.20 117.70 1q85 s ILE 363 Ca 0.00 -0.77 0.07 0.00 -2.23 0.00 0.00 60.65 57.71 1q85 s ILE 363 Cb 0.00 -5.00 0.30 0.00 -1.58 0.00 0.00 42.46 36.18 1q85 s ILE 363 CO 0.00 -1.87 1.69 -0.33 -1.23 0.00 0.00 174.94 173.20 1q85 h GLU 364 N 9.68 0.38 -0.23 2.79 5.08 -1.93 0.20 114.58 130.55 1q85 h GLU 364 Ca 0.15 -0.02 0.07 0.00 -1.00 0.00 0.00 59.36 58.55 1q85 h GLU 364 Cb 1.02 -0.09 -0.01 0.00 0.50 0.00 0.00 28.75 30.17 1q85 h GLU 364 CO 1.37 0.25 0.24 0.66 -1.00 0.00 0.00 179.01 180.53 1q85 h SER 365 N 0.39 0.00 0.32 1.42 4.64 -1.91 0.23 113.55 118.65 1q85 h SER 365 Ca 0.61 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.93 1q85 h SER 365 Cb 1.21 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.30 1q85 h SER 365 CO -0.55 0.00 -0.25 0.00 -0.87 0.00 0.00 176.83 175.16 1q85 n GLN 366 N -3.86 0.66 -4.34 4.77 3.00 0.71 -4.90 117.38 113.43 1q85 n GLN 366 Ca 0.03 -0.35 -0.34 0.00 -0.01 0.00 0.00 57.00 56.33 1q85 n GLN 366 Cb 0.37 -1.49 -0.09 0.00 0.00 0.00 0.00 30.24 29.03 1q85 n GLN 366 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.06 177.48 1q85 s ILE 367 N -2.58 4.29 0.01 5.09 -1.09 0.80 -4.83 121.20 122.89 1q85 s ILE 367 Ca 0.23 -0.35 -0.30 0.00 -2.23 0.00 0.00 60.65 58.00 1q85 s ILE 367 Cb 0.19 -2.84 -0.06 0.00 -1.58 0.00 0.00 42.46 38.17 1q85 s ILE 367 CO 0.53 0.53 1.47 -0.62 -1.23 0.00 0.00 174.94 175.62 1q85 s ASP 368 N -1.11 6.79 0.47 3.58 3.68 -1.26 -4.90 116.67 123.91 1q85 s ASP 368 Ca 0.15 2.19 0.16 0.00 2.13 0.00 0.00 52.55 57.19 1q85 s ASP 368 Cb -0.11 -2.56 1.13 0.00 -1.45 0.00 0.00 42.92 39.93 1q85 s ASP 368 CO 0.05 -0.77 2.01 0.58 0.13 0.00 0.00 175.17 177.18 1q85 h VAL 369 N 4.94 0.89 0.00 1.11 2.07 -1.98 0.41 116.25 123.69 1q85 h VAL 369 Ca -0.39 -0.09 -0.12 0.00 0.82 0.00 0.00 66.70 66.92 1q85 h VAL 369 Cb 1.18 0.60 -0.02 0.00 -1.52 0.00 0.00 31.29 31.53 1q85 h VAL 369 CO 0.91 0.05 -0.56 0.03 0.02 0.00 0.00 177.57 178.02 1q85 h ARG 370 N 0.27 0.00 -0.46 1.57 3.08 -1.99 -2.63 114.38 114.22 1q85 h ARG 370 Ca 0.22 0.00 -0.13 0.00 0.07 0.00 0.00 59.98 60.14 1q85 h ARG 370 Cb 0.53 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.56 1q85 h ARG 370 CO -0.05 0.56 -0.22 -0.92 -1.07 0.00 0.00 179.97 178.28 1q85 h TYR 371 N 0.00 1.11 0.15 3.04 5.03 -1.31 -1.39 116.97 123.60 1q85 h TYR 371 Ca -0.01 -0.27 -0.01 0.00 2.58 0.00 0.00 58.73 61.02 1q85 h TYR 371 Cb 1.05 -0.26 0.00 0.00 1.55 0.00 0.00 36.73 39.08 1q85 h TYR 371 CO 0.00 1.09 -0.07 0.28 -1.32 0.00 0.00 178.16 178.14 1q85 h VAL 372 N 0.81 0.89 -0.09 1.81 2.07 -1.30 0.11 116.25 120.54 1q85 h VAL 372 Ca 0.10 -0.11 -0.01 0.00 0.82 0.00 0.00 66.70 67.50 1q85 h VAL 372 Cb 0.80 0.96 -0.01 0.00 -1.52 0.00 0.00 31.29 31.52 1q85 h VAL 372 CO 0.07 0.03 -0.01 -0.33 0.02 0.00 0.00 177.57 177.34 1q85 h GLU 373 N -0.25 0.12 0.04 1.57 5.08 -1.44 0.14 114.58 119.85 1q85 h GLU 373 Ca -0.02 -0.01 -0.14 0.00 -1.00 0.00 0.00 59.36 58.19 1q85 h GLU 373 Cb 0.19 -0.02 0.01 0.00 0.50 0.00 0.00 28.75 29.43 1q85 h GLU 373 CO 0.03 0.15 -0.56 -0.22 -1.00 0.00 0.00 179.01 177.41 1q85 h LYS 374 N 0.13 0.30 -0.48 2.33 3.64 -0.84 -2.81 116.57 118.84 1q85 h LYS 374 Ca 0.03 -0.39 -0.05 0.00 -1.27 0.00 0.00 60.65 58.98 1q85 h LYS 374 Cb 0.11 0.12 -0.02 0.00 -0.41 0.00 0.00 32.23 32.03 1q85 h LYS 374 CO 0.00 1.10 0.11 0.82 -2.27 0.00 0.00 179.45 179.22 1q85 h ILE 375 N -0.32 1.24 -0.88 2.00 1.08 -0.47 -0.79 117.51 119.38 1q85 h ILE 375 Ca -0.08 -0.85 0.01 0.00 -0.39 0.00 0.00 64.86 63.55 1q85 h ILE 375 Cb 1.34 0.87 -0.04 0.00 -3.07 0.00 0.00 36.82 35.91 1q85 h ILE 375 CO 0.11 0.31 0.58 0.58 -0.69 0.00 0.00 178.15 179.04 1q85 h VAL 376 N 0.66 1.22 -0.06 1.67 2.07 -0.82 -2.29 116.25 118.70 1q85 h VAL 376 Ca 0.15 -0.41 -0.20 0.00 0.82 0.00 0.00 66.70 67.06 1q85 h VAL 376 Cb 0.34 -0.07 -0.00 0.00 -1.52 0.00 0.00 31.29 30.04 1q85 h VAL 376 CO 0.00 0.22 -0.80 -0.61 0.02 0.00 0.00 177.57 176.40 1q85 h GLN 377 N 1.18 0.44 0.03 1.57 4.15 -1.37 -3.39 115.11 117.73 1q85 h GLN 377 Ca 0.33 -0.39 -0.00 0.00 0.77 0.00 0.00 58.65 59.36 1q85 h GLN 377 Cb -0.12 0.09 0.00 0.00 0.21 0.00 0.00 27.48 27.66 1q85 h GLN 377 CO -0.08 1.03 -0.02 1.15 -1.93 0.00 0.00 178.83 178.99 1q85 h THR 378 N 0.28 1.34 -0.72 2.39 2.02 -0.82 -3.38 112.91 114.02 1q85 h THR 378 Ca -0.05 -1.23 0.11 0.00 0.77 0.00 0.00 66.41 66.01 1q85 h THR 378 Cb 1.39 2.15 -0.08 0.00 -1.74 0.00 0.00 68.15 69.88 1q85 h THR 378 CO 0.14 0.31 0.33 -0.07 0.37 0.00 0.00 175.52 176.60 1q85 h LEU 379 N -0.59 0.39 -1.74 2.58 3.38 -1.61 -1.76 115.31 115.97 1q85 h LEU 379 Ca -0.00 0.08 0.10 0.00 0.09 0.00 0.00 57.88 58.14 1q85 h LEU 379 Cb 0.54 0.02 -0.03 0.00 0.09 0.00 0.00 40.66 41.28 1q85 h LEU 379 CO 0.01 0.20 0.36 -0.65 0.09 0.00 0.00 178.44 178.45 1q85 h PRO 380 N 0.54 0.29 0.00 1.13 0.11 -1.74 0.13 132.00 132.45 1q85 h PRO 380 Ca 0.37 -0.02 -0.00 0.00 0.11 0.00 0.00 66.00 66.46 1q85 h PRO 380 Cb 0.45 -0.07 0.00 0.00 0.11 0.00 0.00 31.00 31.49 1q85 h PRO 380 CO -0.31 0.19 -0.00 1.88 -0.21 0.00 0.00 178.00 179.55 1q85 h TYR 381 N 0.30 -0.00 0.00 0.65 -1.99 -1.54 -2.64 116.97 111.76 1q85 h TYR 381 Ca 0.24 -0.00 -0.12 0.00 2.00 0.00 0.00 58.73 60.85 1q85 h TYR 381 Cb 0.56 0.00 -0.02 0.00 2.00 0.00 0.00 36.73 39.27 1q85 h TYR 381 CO -0.00 0.96 -0.57 -0.39 -0.00 0.00 0.00 178.16 178.16 1q85 h VAL 382 N -1.00 1.01 0.00 -2.88 -1.51 -1.26 -3.26 116.25 107.36 1q85 h VAL 382 Ca -0.00 -2.33 0.00 0.00 -1.23 0.00 0.00 66.70 63.14 1q85 h VAL 382 Cb 0.96 2.43 0.00 0.00 -2.13 0.00 0.00 31.29 32.55 1q85 h VAL 382 CO 0.00 0.56 -1.15 -1.54 -1.23 0.00 0.00 177.57 174.21 1q85 n SER 383 N -3.29 0.79 0.00 4.19 3.41 0.43 -4.92 113.62 114.23 1q85 n SER 383 Ca 0.01 -0.76 0.00 0.00 -0.26 0.00 0.00 58.87 57.86 1q85 n SER 383 Cb 0.74 1.13 0.00 0.00 -0.26 0.00 0.00 64.21 65.81 1q85 n SER 383 CO 0.00 0.00 0.00 0.59 -0.16 0.00 0.00 175.04 175.47 1q85 n ASN 384 N -1.65 0.00 -4.71 4.04 3.02 -0.99 -4.94 115.26 110.04 1q85 n ASN 384 Ca 0.03 0.00 -0.23 0.00 -0.03 0.00 0.00 54.58 54.35 1q85 n ASN 384 Cb 0.38 -0.65 -0.06 0.00 -0.61 0.00 0.00 39.78 38.83 1q85 n ASN 384 CO 0.00 0.00 0.00 0.68 -2.62 0.00 0.00 177.26 175.32 1q85 s VAL 385 N -2.29 3.32 0.92 2.41 -7.23 -1.24 -4.15 120.40 112.14 1q85 s VAL 385 Ca 0.00 -1.76 -0.11 0.00 -1.81 0.00 0.00 61.98 58.30 1q85 s VAL 385 Cb 0.00 -2.96 0.14 0.00 0.56 0.00 0.00 36.38 34.12 1q85 s VAL 385 CO 0.00 -0.27 1.09 -2.84 -0.31 0.00 0.00 175.10 172.77 1q85 s PRO 386 N -3.78 1.03 0.17 4.82 0.02 -1.26 -4.22 135.00 131.79 1q85 s PRO 386 Ca 0.35 0.96 0.11 0.00 0.02 0.00 0.00 61.00 62.44 1q85 s PRO 386 Cb -0.04 -1.77 -0.04 0.00 0.02 0.00 0.00 34.50 32.66 1q85 s PRO 386 CO 0.22 -2.43 -0.25 -0.51 -0.33 0.00 0.00 177.00 173.70 1q85 s LEU 387 N -6.38 2.39 -0.37 -5.54 1.43 -1.26 -2.23 118.68 106.73 1q85 s LEU 387 Ca 0.64 -0.82 -0.08 0.00 -1.03 0.00 0.00 54.13 52.85 1q85 s LEU 387 Cb -0.19 -1.15 0.05 0.00 0.03 0.00 0.00 46.19 44.92 1q85 s LEU 387 CO 0.58 0.13 0.16 -0.55 0.23 0.00 0.00 176.35 176.90 1q85 s SER 388 N -2.43 5.46 -0.51 2.29 0.15 0.09 -2.36 113.70 116.38 1q85 s SER 388 Ca 0.18 -1.24 -0.27 0.00 0.70 0.00 0.00 55.95 55.32 1q85 s SER 388 Cb -0.09 -1.92 0.03 0.00 -1.71 0.00 0.00 66.02 62.34 1q85 s SER 388 CO 0.08 -0.40 1.03 -0.76 1.20 0.00 0.00 173.24 174.40 1q85 s LEU 389 N 1.42 3.82 -1.05 3.45 1.43 0.62 -1.11 118.68 127.26 1q85 s LEU 389 Ca 0.00 0.09 -0.11 0.00 -1.03 0.00 0.00 54.13 53.08 1q85 s LEU 389 Cb -0.20 -3.19 0.25 0.00 0.03 0.00 0.00 46.19 43.08 1q85 s LEU 389 CO 0.03 -1.23 1.07 -0.62 0.23 0.00 0.00 176.35 175.83 1q85 s ASP 390 N 2.59 7.15 -0.02 2.29 -1.08 -0.14 -0.19 116.67 127.28 1q85 s ASP 390 Ca 0.39 -3.29 0.05 0.00 -0.52 0.00 0.00 52.55 49.19 1q85 s ASP 390 Cb -0.09 -2.23 -0.01 0.00 -1.46 0.00 0.00 42.92 39.12 1q85 s ASP 390 CO 0.26 -0.42 -0.17 -0.63 0.52 0.00 0.00 175.17 174.73 1q85 s ILE 391 N -0.54 1.36 -0.22 4.11 1.01 -1.26 -4.20 121.20 121.45 1q85 s ILE 391 Ca 0.29 -0.73 -0.17 0.00 0.00 0.00 0.00 60.65 60.04 1q85 s ILE 391 Cb -0.09 -1.13 -0.13 0.00 0.01 0.00 0.00 42.46 41.11 1q85 s ILE 391 CO -0.08 0.39 -0.11 0.00 0.00 0.00 0.00 174.94 175.14 1q85 n GLN 392 N 2.72 0.56 -1.68 2.79 6.02 -1.26 -4.91 117.38 121.61 1q85 n GLN 392 Ca -0.15 0.42 -0.42 0.00 -0.01 0.00 0.00 57.00 56.83 1q85 n GLN 392 Cb 0.54 -1.61 -0.03 0.00 1.02 0.00 0.00 30.24 30.16 1q85 n GLN 392 CO 0.00 0.00 0.00 1.21 -1.01 0.00 0.00 177.06 177.26 1q85 s ASN 393 N -6.86 6.29 0.50 1.08 3.04 -1.26 -4.85 114.94 112.88 1q85 s ASN 393 Ca -0.31 2.50 0.20 0.00 0.04 0.00 0.00 52.86 55.29 1q85 s ASN 393 Cb 0.09 -2.53 1.26 0.00 -1.54 0.00 0.00 41.25 38.53 1q85 s ASN 393 CO 0.49 -1.21 2.03 0.58 -3.04 0.00 0.00 177.10 175.95 1q85 h VAL 394 N 5.90 0.84 -0.16 -5.21 2.07 -1.98 0.81 116.25 118.52 1q85 h VAL 394 Ca -0.47 -0.04 -0.08 0.00 0.82 0.00 0.00 66.70 66.92 1q85 h VAL 394 Cb 1.23 0.71 -0.00 0.00 -1.52 0.00 0.00 31.29 31.71 1q85 h VAL 394 CO 0.95 0.02 -0.21 -0.78 0.02 0.00 0.00 177.57 177.56 1q85 h ASP 395 N 0.12 0.47 0.61 0.57 3.58 -2.00 -2.05 116.42 117.71 1q85 h ASP 395 Ca 0.20 -0.51 -0.10 0.00 0.42 0.00 0.00 57.03 57.05 1q85 h ASP 395 Cb 0.64 -0.13 -0.01 0.00 1.72 0.00 0.00 39.33 41.55 1q85 h ASP 395 CO -0.02 0.88 -0.45 0.25 -2.88 0.00 0.00 179.24 177.02 1q85 h LEU 396 N 0.06 0.00 -0.63 2.28 5.85 -1.75 -2.70 115.31 118.42 1q85 h LEU 396 Ca 0.02 0.00 -0.02 0.00 0.84 0.00 0.00 57.88 58.72 1q85 h LEU 396 Cb 0.78 0.00 -0.03 0.00 0.37 0.00 0.00 40.66 41.78 1q85 h LEU 396 CO 0.05 0.45 0.30 0.74 -0.34 0.00 0.00 178.44 179.65 1q85 h THR 397 N 0.00 1.22 -0.45 1.05 2.02 -0.74 -0.91 112.91 115.10 1q85 h THR 397 Ca -0.00 -0.62 -0.10 0.00 0.77 0.00 0.00 66.41 66.46 1q85 h THR 397 Cb 0.88 0.46 -0.02 0.00 -1.74 0.00 0.00 68.15 67.74 1q85 h THR 397 CO 0.06 0.25 -0.11 -0.08 0.37 0.00 0.00 175.52 176.01 1q85 h GLU 398 N 0.87 0.82 -0.63 6.66 4.81 -1.06 -1.16 114.58 124.89 1q85 h GLU 398 Ca 0.22 -0.28 -0.04 0.00 -0.13 0.00 0.00 59.36 59.13 1q85 h GLU 398 Cb 0.12 -0.07 -0.03 0.00 0.63 0.00 0.00 28.75 29.41 1q85 h GLU 398 CO -0.03 0.89 0.22 0.00 -0.73 0.00 0.00 179.01 179.36 1q85 h ARG 399 N 0.74 0.96 -0.26 1.92 -0.00 -1.16 -1.68 114.38 114.90 1q85 h ARG 399 Ca 0.12 -0.19 -0.11 0.00 -0.50 0.00 0.00 59.98 59.30 1q85 h ARG 399 Cb 0.60 -0.15 -0.00 0.00 0.00 0.00 0.00 29.97 30.42 1q85 h ARG 399 CO 0.04 0.83 -0.26 0.00 0.00 0.00 0.00 179.97 180.58 1q85 h ALA 400 N 1.08 0.38 -0.56 0.04 0.00 -1.03 -3.01 119.26 116.16 1q85 h ALA 400 Ca 0.20 -0.39 -0.10 0.00 0.00 0.00 0.00 54.91 54.62 1q85 h ALA 400 Cb 0.25 -0.08 -0.02 0.00 0.00 0.00 0.00 17.79 17.94 1q85 h ALA 400 CO -0.01 0.37 -0.06 -0.07 0.00 0.00 0.00 179.25 179.48 1q85 h LEU 401 N 0.35 1.01 -1.44 0.00 3.38 -1.17 -2.13 115.31 115.31 1q85 h LEU 401 Ca 0.04 -0.31 -0.06 0.00 0.09 0.00 0.00 57.88 57.64 1q85 h LEU 401 Cb 0.82 -0.27 -0.01 0.00 0.09 0.00 0.00 40.66 41.29 1q85 h LEU 401 CO 0.06 1.09 -0.28 0.08 0.09 0.00 0.00 178.44 179.49 1q85 h ARG 402 N 0.92 0.00 -0.51 1.13 0.11 -1.32 -3.00 114.38 111.71 1q85 h ARG 402 Ca 0.15 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.23 1q85 h ARG 402 Cb 0.61 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.69 1q85 h ARG 402 CO 0.04 0.28 0.00 0.00 0.10 0.00 0.00 179.97 180.39 1q85 n ALA 403 N -2.42 2.32 -2.61 0.08 0.00 -1.14 -4.92 120.51 111.82 1q85 n ALA 403 Ca -0.02 -1.26 -0.42 0.00 0.00 0.00 0.00 53.44 51.74 1q85 n ALA 403 Cb 0.35 -0.66 -0.03 0.00 0.00 0.00 0.00 19.45 19.11 1q85 n ALA 403 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 177.50 177.03 1q85 s TYR 404 N -1.09 3.52 -1.38 0.00 6.14 -0.81 -4.38 117.35 119.34 1q85 s TYR 404 Ca 0.35 1.53 -0.15 0.00 0.64 0.00 0.00 57.07 59.44 1q85 s TYR 404 Cb 0.19 -3.24 0.06 0.00 0.42 0.00 0.00 41.96 39.39 1q85 s TYR 404 CO 0.23 -0.49 2.00 -0.35 0.64 0.00 0.00 175.55 177.58 1q85 n PRO 405 N 4.32 3.04 -0.03 4.97 -0.04 -1.26 -4.82 135.00 141.17 1q85 n PRO 405 Ca 0.08 -2.95 0.00 0.00 -0.04 0.00 0.00 63.50 60.59 1q85 n PRO 405 Cb 0.49 -3.36 0.00 0.00 -0.04 0.00 0.00 33.50 30.59 1q85 n PRO 405 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1q85 n GLY 406 N 4.59 0.55 3.13 0.55 0.00 -1.26 -3.36 105.19 109.38 1q85 n GLY 406 Ca 0.50 -1.48 -0.34 0.00 0.00 0.00 0.00 46.02 44.70 1q85 n GLY 406 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 1q85 s ARG 407 N -2.00 2.26 0.69 1.61 3.52 -1.16 -4.89 118.95 118.98 1q85 s ARG 407 Ca 0.00 -1.38 -0.02 0.00 -0.13 0.00 0.00 55.73 54.20 1q85 s ARG 407 Cb 0.00 -3.13 0.10 0.00 -1.56 0.00 0.00 34.95 30.36 1q85 s ARG 407 CO 0.00 -0.67 0.96 -1.54 -0.81 0.00 0.00 175.30 173.24 1q85 s SER 408 N 1.23 4.57 -0.18 -2.12 1.04 -1.26 0.19 113.70 117.17 1q85 s SER 408 Ca -0.04 -0.13 -0.03 0.00 0.48 0.00 0.00 55.95 56.24 1q85 s SER 408 Cb -0.20 -0.40 -0.01 0.00 0.10 0.00 0.00 66.02 65.51 1q85 s SER 408 CO -0.03 -1.70 -0.07 -0.22 0.98 0.00 0.00 173.24 172.21 1q85 s LEU 409 N -5.10 2.90 -0.21 2.42 2.96 -1.00 -0.52 118.68 120.12 1q85 s LEU 409 Ca 0.64 -0.32 -0.13 0.00 -0.22 0.00 0.00 54.13 54.10 1q85 s LEU 409 Cb -0.07 -1.71 -0.05 0.00 0.50 0.00 0.00 46.19 44.86 1q85 s LEU 409 CO 0.43 0.07 0.25 0.12 -1.32 0.00 0.00 176.35 175.90 1q85 s PHE 410 N 0.93 3.36 -0.37 5.38 5.36 0.15 -0.28 117.98 132.52 1q85 s PHE 410 Ca -0.01 0.40 -0.19 0.00 -0.96 0.00 0.00 56.93 56.17 1q85 s PHE 410 Cb -0.15 -2.35 0.00 0.00 -0.34 0.00 0.00 43.02 40.19 1q85 s PHE 410 CO 0.00 0.09 0.58 1.21 -1.46 0.00 0.00 175.22 175.64 1q85 s ASN 411 N 0.91 6.36 0.00 6.13 3.04 0.74 -1.14 114.94 130.98 1q85 s ASN 411 Ca 0.12 -0.01 0.00 0.00 0.04 0.00 0.00 52.86 53.01 1q85 s ASN 411 Cb -0.14 -2.30 0.00 0.00 -1.54 0.00 0.00 41.25 37.28 1q85 s ASN 411 CO 0.05 -0.57 0.00 -1.20 -3.04 0.00 0.00 177.10 172.34 1q85 n SER 412 N 5.94 -0.68 -3.41 -4.21 7.64 -1.24 -4.14 113.62 113.52 1q85 n SER 412 Ca -0.03 0.00 -0.10 0.00 1.01 0.00 0.00 58.87 59.75 1q85 n SER 412 Cb 0.49 -0.34 -0.09 0.00 -1.01 0.00 0.00 64.21 63.26 1q85 n SER 412 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1q85 s ALA 413 N 0.00 -1.02 0.69 -0.43 0.00 -1.12 -4.97 121.76 114.91 1q85 s ALA 413 Ca 0.00 0.94 -0.11 0.00 0.00 0.00 0.00 51.96 52.79 1q85 s ALA 413 Cb 0.00 -1.58 0.00 0.00 0.00 0.00 0.00 23.12 21.55 1q85 s ALA 413 CO 0.00 -1.17 1.07 0.15 0.00 0.00 0.00 175.76 175.82 1q85 s LYS 414 N 2.53 2.99 -1.16 0.00 1.02 -1.26 -0.86 119.74 123.00 1q85 s LYS 414 Ca 0.10 0.61 -0.19 0.00 0.02 0.00 0.00 55.97 56.50 1q85 s LYS 414 Cb -0.15 -2.02 -0.04 0.00 -0.52 0.00 0.00 37.83 35.10 1q85 s LYS 414 CO -0.15 -0.97 1.96 0.28 -0.92 0.00 0.00 175.35 175.55 1q85 n VAL 415 N -2.99 2.75 -3.98 3.17 0.31 -1.20 -4.40 118.33 111.98 1q85 n VAL 415 Ca 0.07 -2.63 -0.24 0.00 -0.01 0.00 0.00 64.34 61.53 1q85 n VAL 415 Cb 0.56 -2.36 -0.17 0.00 -0.91 0.00 0.00 33.84 30.96 1q85 n VAL 415 CO 0.00 0.00 0.00 -0.62 -1.32 0.00 0.00 176.83 174.89 1q85 s ASP 416 N 4.72 1.64 0.21 4.52 3.68 -1.26 -4.58 116.67 125.61 1q85 s ASP 416 Ca 0.57 -0.18 -0.10 0.00 2.13 0.00 0.00 52.55 54.96 1q85 s ASP 416 Cb 0.08 -0.61 0.30 0.00 -1.45 0.00 0.00 42.92 41.25 1q85 s ASP 416 CO 0.06 -0.12 1.69 -0.33 0.13 0.00 0.00 175.17 176.60 1q85 h GLU 417 N 7.89 0.19 0.06 4.34 4.39 -1.99 0.11 114.58 129.56 1q85 h GLU 417 Ca -0.28 -0.01 -0.00 0.00 0.34 0.00 0.00 59.36 59.40 1q85 h GLU 417 Cb 1.14 -0.04 0.00 0.00 -0.10 0.00 0.00 28.75 29.75 1q85 h GLU 417 CO 0.37 0.13 -0.03 1.49 -1.16 0.00 0.00 179.01 179.81 1q85 h GLU 418 N 0.20 -0.07 0.02 2.33 4.81 -1.96 -1.98 114.58 117.92 1q85 h GLU 418 Ca 0.32 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.56 1q85 h GLU 418 Cb 0.51 0.02 -0.00 0.00 0.63 0.00 0.00 28.75 29.90 1q85 h GLU 418 CO -0.46 0.26 -0.03 1.49 -0.73 0.00 0.00 179.01 179.55 1q85 h GLU 419 N -0.41 -0.05 -0.14 1.92 4.81 -1.84 -3.12 114.58 115.74 1q85 h GLU 419 Ca -0.01 0.00 0.04 0.00 -0.13 0.00 0.00 59.36 59.27 1q85 h GLU 419 Cb 0.37 0.01 -0.05 0.00 0.63 0.00 0.00 28.75 29.71 1q85 h GLU 419 CO 0.01 -0.04 -0.16 -0.07 -0.73 0.00 0.00 179.01 178.03 1q85 h LEU 420 N -0.06 -0.50 -1.52 1.64 3.38 -0.82 -2.20 115.31 115.23 1q85 h LEU 420 Ca 0.00 0.09 0.00 0.00 0.09 0.00 0.00 57.88 58.07 1q85 h LEU 420 Cb 0.06 0.24 0.00 0.00 0.09 0.00 0.00 40.66 41.05 1q85 h LEU 420 CO -0.01 -0.21 0.00 1.21 0.09 0.00 0.00 178.44 179.52 1q85 n GLU 421 N -5.31 0.00 0.00 1.13 2.13 -0.75 -0.24 120.64 117.60 1q85 n GLU 421 Ca -0.03 0.00 0.00 0.00 0.66 0.00 0.00 57.16 57.79 1q85 n GLU 421 Cb 0.22 -1.16 0.00 0.00 0.27 0.00 0.00 31.44 30.78 1q85 n GLU 421 CO 0.00 0.00 0.00 1.63 -0.41 0.00 0.00 177.13 178.35 1q85 n LYS 423 N 0.68 0.00 -0.20 5.31 5.02 -0.83 -1.30 118.16 126.84 1q85 n LYS 423 Ca 0.00 0.00 -0.08 0.00 -2.02 0.00 0.00 58.31 56.21 1q85 n LYS 423 Cb 0.00 0.00 0.02 0.00 -0.02 0.00 0.00 35.03 35.03 1q85 n LYS 423 CO 0.00 0.00 0.00 0.82 -0.52 0.00 0.00 177.40 177.70 1q85 h ILE 424 N 0.00 1.25 -0.27 -0.18 2.04 -0.87 -1.85 117.51 117.63 1q85 h ILE 424 Ca 0.00 -0.87 -0.09 0.00 1.00 0.00 0.00 64.86 64.90 1q85 h ILE 424 Cb 0.00 0.71 -0.01 0.00 -0.74 0.00 0.00 36.82 36.78 1q85 h ILE 424 CO 0.00 0.32 -0.22 0.78 0.00 0.00 0.00 178.15 179.03 1q85 h ASN 425 N 0.82 0.50 -0.52 1.72 2.35 -1.43 0.17 115.58 119.19 1q85 h ASN 425 Ca 0.18 -0.16 -0.11 0.00 -0.55 0.00 0.00 56.30 55.66 1q85 h ASN 425 Cb 0.33 -0.14 -0.02 0.00 0.05 0.00 0.00 38.32 38.55 1q85 h ASN 425 CO -0.00 0.73 -0.12 -0.07 -1.65 0.00 0.00 177.43 176.31 1q85 h LEU 426 N 0.45 1.01 -0.72 1.61 3.38 -1.76 -2.02 115.31 117.26 1q85 h LEU 426 Ca 0.07 -0.36 -0.12 0.00 0.09 0.00 0.00 57.88 57.56 1q85 h LEU 426 Cb 0.64 -0.28 -0.01 0.00 0.09 0.00 0.00 40.66 41.10 1q85 h LEU 426 CO 0.05 1.14 -0.35 -0.07 0.09 0.00 0.00 178.44 179.29 1q85 h LEU 427 N 0.88 0.61 -1.42 1.67 3.38 -0.98 -0.55 115.31 118.90 1q85 h LEU 427 Ca 0.13 -0.25 -0.05 0.00 0.09 0.00 0.00 57.88 57.80 1q85 h LEU 427 Cb 0.69 -0.17 -0.01 0.00 0.09 0.00 0.00 40.66 41.26 1q85 h LEU 427 CO 0.05 0.91 -0.21 0.11 0.09 0.00 0.00 178.44 179.39 1q85 h LYS 428 N 0.49 0.12 0.19 1.13 1.57 -0.47 0.67 116.57 120.27 1q85 h LYS 428 Ca 0.05 -0.03 -0.34 0.00 -1.87 0.00 0.00 60.65 58.46 1q85 h LYS 428 Cb 0.84 -0.01 0.01 0.00 0.08 0.00 0.00 32.23 33.15 1q85 h LYS 428 CO 0.07 0.33 -1.67 -0.22 -0.57 0.00 0.00 179.45 177.40 1q85 h LYS 429 N 0.11 0.41 -0.01 3.15 3.64 -1.00 -3.40 116.57 119.48 1q85 h LYS 429 Ca 0.02 -0.70 0.00 0.00 -1.27 0.00 0.00 60.65 58.70 1q85 h LYS 429 Cb 0.44 0.26 0.00 0.00 -0.41 0.00 0.00 32.23 32.52 1q85 h LYS 429 CO 0.03 1.32 -0.33 0.66 -2.27 0.00 0.00 179.45 178.87 1q85 n TYR 430 N -3.60 0.00 0.00 1.91 4.01 -0.25 -4.72 117.16 114.51 1q85 n TYR 430 Ca -0.22 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.52 1q85 n TYR 430 Cb 1.08 0.00 0.00 0.00 -0.31 0.00 0.00 39.34 40.11 1q85 n TYR 430 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 1q85 n GLY 431 N 1.10 -0.34 0.00 2.72 0.00 0.23 -4.90 105.19 104.01 1q85 n GLY 431 Ca 0.06 -1.67 0.00 0.00 0.00 0.00 0.00 46.02 44.41 1q85 n GLY 431 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1q85 n GLY 432 N -0.15 2.76 3.63 -0.02 0.00 -1.26 -4.67 105.19 105.48 1q85 n GLY 432 Ca 0.00 -2.00 -0.25 0.00 0.00 0.00 0.00 46.02 43.77 1q85 n GLY 432 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1q85 s THR 433 N -1.98 2.53 -0.02 2.61 -4.23 0.32 -4.92 115.64 109.94 1q85 s THR 433 Ca 0.00 -1.97 0.02 0.00 -1.18 0.00 0.00 61.69 58.56 1q85 s THR 433 Cb 0.00 -2.82 0.00 0.00 1.34 0.00 0.00 72.50 71.03 1q85 s THR 433 CO 0.00 -0.17 -0.07 -0.22 -0.54 0.00 0.00 174.62 173.62 1q85 s LEU 434 N -3.72 1.76 -0.14 4.79 2.96 -0.02 0.33 118.68 124.63 1q85 s LEU 434 Ca 0.35 -0.15 -0.20 0.00 -0.22 0.00 0.00 54.13 53.91 1q85 s LEU 434 Cb 0.01 -0.46 -0.04 0.00 0.50 0.00 0.00 46.19 46.20 1q85 s LEU 434 CO 0.19 0.04 0.55 -0.63 -1.32 0.00 0.00 176.35 175.19 1q85 s ILE 435 N 0.24 5.12 -0.23 6.68 1.01 -0.29 -1.18 121.20 132.54 1q85 s ILE 435 Ca -0.03 1.09 -0.06 0.00 0.00 0.00 0.00 60.65 61.65 1q85 s ILE 435 Cb -0.08 -3.89 -0.02 0.00 0.01 0.00 0.00 42.46 38.48 1q85 s ILE 435 CO 0.00 0.25 0.02 -0.69 0.00 0.00 0.00 174.94 174.52 1q85 s VAL 436 N 1.05 3.91 -0.29 2.92 1.01 0.50 -2.80 120.40 126.70 1q85 s VAL 436 Ca 0.28 -0.31 -0.24 0.00 0.00 0.00 0.00 61.98 61.71 1q85 s VAL 436 Cb -0.16 -2.81 -0.00 0.00 0.00 0.00 0.00 36.38 33.42 1q85 s VAL 436 CO 0.12 0.38 0.82 -0.22 0.00 0.00 0.00 175.10 176.20 1q85 s LEU 437 N 1.49 4.07 -0.91 3.92 2.96 -0.04 -1.15 118.68 129.02 1q85 s LEU 437 Ca 0.06 0.81 -0.24 0.00 -0.22 0.00 0.00 54.13 54.53 1q85 s LEU 437 Cb -0.15 -3.14 -0.05 0.00 0.50 0.00 0.00 46.19 43.35 1q85 s LEU 437 CO 0.01 -0.60 1.95 -0.76 -1.32 0.00 0.00 176.35 175.63 1q85 s LEU 438 N 2.97 3.16 0.00 -0.68 1.43 -0.07 -3.27 118.68 122.22 1q85 s LEU 438 Ca 0.34 -0.70 0.00 0.00 -1.03 0.00 0.00 54.13 52.74 1q85 s LEU 438 Cb -0.14 -2.56 0.00 0.00 0.03 0.00 0.00 46.19 43.52 1q85 s LEU 438 CO 0.11 -2.76 0.00 0.61 0.23 0.00 0.00 176.35 174.54 1q85 n GLY 440 N 6.83 4.30 0.42 -3.19 0.00 -1.26 -4.75 105.19 107.53 1q85 n GLY 440 Ca 0.40 -0.49 -0.14 0.00 0.00 0.00 0.00 46.02 45.80 1q85 n GLY 440 CO 0.00 0.00 0.00 1.70 0.00 0.00 0.00 173.32 175.02 1q85 h LYS 441 N 0.00 -0.57 -5.68 1.61 3.64 -2.02 -3.44 116.57 110.10 1q85 h LYS 441 Ca 0.00 0.04 -0.61 0.00 -1.27 0.00 0.00 60.65 58.81 1q85 h LYS 441 Cb 0.00 0.13 -0.11 0.00 -0.41 0.00 0.00 32.23 31.84 1q85 h LYS 441 CO 0.00 -0.38 -0.54 0.34 -2.27 0.00 0.00 179.45 176.60 1q85 s ASP 442 N -4.79 4.14 0.20 4.20 2.15 -1.26 -5.12 116.67 116.20 1q85 s ASP 442 Ca -0.16 -1.31 -0.30 0.00 0.43 0.00 0.00 52.55 51.21 1q85 s ASP 442 Cb 0.08 -0.25 -0.08 0.00 -0.30 0.00 0.00 42.92 42.37 1q85 s ASP 442 CO 0.63 -0.57 1.02 -0.69 -0.17 0.00 0.00 175.17 175.39 1q85 s VAL 443 N -2.70 3.98 0.84 1.11 1.01 -1.26 -5.05 120.40 118.33 1q85 s VAL 443 Ca 0.33 1.83 -0.11 0.00 0.00 0.00 0.00 61.98 64.02 1q85 s VAL 443 Cb 0.06 -4.17 0.09 0.00 0.00 0.00 0.00 36.38 32.37 1q85 s VAL 443 CO 0.17 0.37 1.09 -2.84 0.00 0.00 0.00 175.10 173.90 1q85 s PRO 444 N -0.76 1.75 -0.03 2.72 0.02 -1.26 -5.01 135.00 132.42 1q85 s PRO 444 Ca 0.45 0.80 0.06 0.00 0.02 0.00 0.00 61.00 62.34 1q85 s PRO 444 Cb -0.28 -1.87 0.11 0.00 0.02 0.00 0.00 34.50 32.48 1q85 s PRO 444 CO 0.34 -1.90 1.05 1.63 -0.33 0.00 0.00 177.00 177.80 1q85 n LYS 445 N -3.64 0.32 -3.61 5.54 5.02 -1.26 -5.06 118.16 115.46 1q85 n LYS 445 Ca 0.07 -1.48 -0.07 0.00 -2.02 0.00 0.00 58.31 54.81 1q85 n LYS 445 Cb 0.55 -0.71 -0.02 0.00 -0.02 0.00 0.00 35.03 34.83 1q85 n LYS 445 CO 0.00 0.00 0.00 -1.54 -0.52 0.00 0.00 177.40 175.34 1q85 s SER 446 N -1.54 -0.31 0.13 4.39 1.04 -1.26 -5.04 113.70 111.10 1q85 s SER 446 Ca 0.10 -0.20 -0.16 0.00 0.48 0.00 0.00 55.95 56.18 1q85 s SER 446 Cb 0.10 0.48 -0.01 0.00 0.10 0.00 0.00 66.02 66.69 1q85 s SER 446 CO -0.01 -0.83 1.67 0.15 0.98 0.00 0.00 173.24 175.20 1q85 h PHE 447 N 2.00 0.63 -0.57 5.02 3.57 -1.96 -2.66 116.94 122.96 1q85 h PHE 447 Ca -0.24 -0.06 0.07 0.00 3.53 0.00 0.00 57.97 61.27 1q85 h PHE 447 Cb 1.25 -0.19 -0.06 0.00 2.79 0.00 0.00 35.95 39.75 1q85 h PHE 447 CO 0.31 0.57 0.27 1.49 -2.23 0.00 0.00 178.31 178.72 1q85 h GLU 448 N 0.50 0.48 -0.40 1.11 4.57 -1.96 0.39 114.58 119.28 1q85 h GLU 448 Ca 0.13 -0.03 -0.03 0.00 -1.18 0.00 0.00 59.36 58.25 1q85 h GLU 448 Cb 0.22 -0.11 -0.02 0.00 -0.16 0.00 0.00 28.75 28.69 1q85 h GLU 448 CO -0.01 0.32 0.13 0.93 -1.18 0.00 0.00 179.01 179.20 1q85 h GLU 449 N 0.50 0.61 0.00 1.92 5.08 -1.95 -1.55 114.58 119.19 1q85 h GLU 449 Ca 0.27 -0.13 -0.02 0.00 -1.00 0.00 0.00 59.36 58.48 1q85 h GLU 449 Cb 0.23 -0.09 -0.00 0.00 0.50 0.00 0.00 28.75 29.39 1q85 h GLU 449 CO -0.22 0.60 -0.08 0.00 -1.00 0.00 0.00 179.01 178.32 1q85 h ARG 450 N 0.50 0.00 -0.33 2.33 3.08 -1.07 -1.48 114.38 117.41 1q85 h ARG 450 Ca 0.13 0.00 -0.16 0.00 0.07 0.00 0.00 59.98 60.01 1q85 h ARG 450 Cb 0.24 0.00 -0.00 0.00 0.08 0.00 0.00 29.97 30.29 1q85 h ARG 450 CO -0.01 0.08 -0.45 -0.22 -1.07 0.00 0.00 179.97 178.31 1q85 h LYS 451 N 0.00 0.85 -0.34 0.04 3.64 -0.15 -1.08 116.57 119.54 1q85 h LYS 451 Ca -0.00 -0.48 -0.05 0.00 -1.27 0.00 0.00 60.65 58.85 1q85 h LYS 451 Cb 0.15 0.03 -0.01 0.00 -0.41 0.00 0.00 32.23 31.99 1q85 h LYS 451 CO 0.01 1.12 0.01 0.93 -2.27 0.00 0.00 179.45 179.25 1q85 h GLU 452 N 0.68 0.59 -0.83 1.90 4.39 -0.35 -1.11 114.58 119.85 1q85 h GLU 452 Ca 0.04 -0.18 0.03 0.00 0.34 0.00 0.00 59.36 59.59 1q85 h GLU 452 Cb 1.03 -0.06 -0.05 0.00 -0.10 0.00 0.00 28.75 29.58 1q85 h GLU 452 CO 0.10 0.70 0.53 1.88 -1.16 0.00 0.00 179.01 181.07 1q85 h TYR 453 N 0.40 1.00 0.05 4.33 0.99 -1.24 0.35 116.97 122.84 1q85 h TYR 453 Ca 0.10 0.03 0.01 0.00 2.00 0.00 0.00 58.73 60.87 1q85 h TYR 453 Cb 0.43 -0.33 -0.02 0.00 1.00 0.00 0.00 36.73 37.81 1q85 h TYR 453 CO 0.03 0.58 -0.11 0.35 -0.00 0.00 0.00 178.16 179.01 1q85 h PHE 454 N 1.04 -0.29 -0.80 4.88 3.57 -0.85 0.15 116.94 124.64 1q85 h PHE 454 Ca 0.33 0.01 -0.01 0.00 3.53 0.00 0.00 57.97 61.82 1q85 h PHE 454 Cb 0.00 0.12 -0.04 0.00 2.79 0.00 0.00 35.95 38.83 1q85 h PHE 454 CO -0.02 -0.18 0.45 0.93 -2.23 0.00 0.00 178.31 177.26 1q85 h GLU 455 N -0.22 1.11 -0.51 1.11 5.08 -0.43 -0.60 114.58 120.11 1q85 h GLU 455 Ca 0.03 -0.12 -0.09 0.00 -1.00 0.00 0.00 59.36 58.18 1q85 h GLU 455 Cb 0.25 -0.22 -0.02 0.00 0.50 0.00 0.00 28.75 29.25 1q85 h GLU 455 CO -0.08 0.80 -0.04 -0.22 -1.00 0.00 0.00 179.01 178.47 1q85 h LYS 456 N 1.12 0.94 -0.39 2.33 3.64 0.09 -2.19 116.57 122.11 1q85 h LYS 456 Ca 0.29 -0.32 -0.03 0.00 -1.27 0.00 0.00 60.65 59.32 1q85 h LYS 456 Cb 0.00 -0.07 -0.02 0.00 -0.41 0.00 0.00 32.23 31.73 1q85 h LYS 456 CO -0.05 0.97 0.14 0.00 -2.27 0.00 0.00 179.45 178.25 1q85 h ALA 457 N 0.93 0.50 -0.89 5.00 0.00 -0.14 -2.27 119.26 122.39 1q85 h ALA 457 Ca 0.14 -0.15 0.07 0.00 0.00 0.00 0.00 54.91 54.97 1q85 h ALA 457 Cb 0.58 -0.15 -0.06 0.00 0.00 0.00 0.00 17.79 18.16 1q85 h ALA 457 CO 0.03 0.12 0.58 -0.07 0.00 0.00 0.00 179.25 179.91 1q85 h LEU 458 N 0.48 0.87 0.57 0.00 3.38 -0.98 0.27 115.31 119.90 1q85 h LEU 458 Ca 0.13 0.01 -0.02 0.00 0.09 0.00 0.00 57.88 58.08 1q85 h LEU 458 Cb 0.21 -0.18 -0.00 0.00 0.09 0.00 0.00 40.66 40.78 1q85 h LEU 458 CO -0.01 0.55 -0.33 0.50 0.09 0.00 0.00 178.44 179.25 1q85 h LYS 459 N 0.99 -0.82 -0.41 1.13 3.64 -0.98 0.23 116.57 120.36 1q85 h LYS 459 Ca 0.39 0.06 -0.01 0.00 -1.27 0.00 0.00 60.65 59.81 1q85 h LYS 459 Cb 0.23 0.19 -0.02 0.00 -0.41 0.00 0.00 32.23 32.22 1q85 h LYS 459 CO -0.15 -0.54 0.21 0.82 -2.27 0.00 0.00 179.45 177.52 1q85 h ILE 460 N -0.85 1.17 -0.61 2.00 2.04 -0.97 -1.01 117.51 119.28 1q85 h ILE 460 Ca -0.07 -0.47 -0.00 0.00 1.00 0.00 0.00 64.86 65.32 1q85 h ILE 460 Cb 0.68 0.73 -0.03 0.00 -0.74 0.00 0.00 36.82 37.46 1q85 h ILE 460 CO 0.09 0.18 0.37 -0.07 0.00 0.00 0.00 178.15 178.72 1q85 h LEU 461 N 0.52 0.73 -1.20 1.44 3.38 -0.39 -0.87 115.31 118.92 1q85 h LEU 461 Ca 0.14 -0.05 -0.02 0.00 0.09 0.00 0.00 57.88 58.04 1q85 h LEU 461 Cb 0.10 -0.18 -0.03 0.00 0.09 0.00 0.00 40.66 40.63 1q85 h LEU 461 CO -0.02 0.57 0.34 -0.08 0.09 0.00 0.00 178.44 179.34 1q85 h GLU 462 N 0.83 0.89 -0.47 1.13 4.22 -0.29 0.21 114.58 121.11 1q85 h GLU 462 Ca 0.22 -0.10 -0.06 0.00 0.08 0.00 0.00 59.36 59.50 1q85 h GLU 462 Cb -0.03 -0.18 -0.02 0.00 0.50 0.00 0.00 28.75 29.02 1q85 h GLU 462 CO -0.04 0.67 0.06 -0.09 -2.18 0.00 0.00 179.01 177.43 1q85 h ARG 463 N 0.90 0.73 -0.66 1.92 1.12 -0.25 -2.39 114.38 115.75 1q85 h ARG 463 Ca 0.23 -0.16 0.00 0.00 -1.11 0.00 0.00 59.98 58.94 1q85 h ARG 463 Cb 0.05 -0.10 0.00 0.00 -0.01 0.00 0.00 29.97 29.90 1q85 h ARG 463 CO -0.03 0.70 0.00 0.72 -3.11 0.00 0.00 179.97 178.25 1q85 n HIS 464 N -4.26 0.88 -3.73 2.20 8.25 -0.42 -4.96 115.22 113.17 1q85 n HIS 464 Ca 0.03 -0.44 -0.23 0.00 -0.26 0.00 0.00 57.72 56.81 1q85 n HIS 464 Cb 0.25 0.00 0.02 0.00 1.12 0.00 0.00 29.99 31.38 1q85 n HIS 464 CO 0.00 0.00 0.00 -3.47 0.64 0.00 0.00 176.34 173.51 1q85 n ASP 465 N 1.57 -1.88 -0.12 0.41 2.03 0.53 -4.89 116.55 114.19 1q85 n ASP 465 Ca 0.23 -0.89 0.02 0.00 0.52 0.00 0.00 54.79 54.67 1q85 n ASP 465 Cb 0.60 -3.78 0.02 0.00 -0.72 0.00 0.00 41.12 37.24 1q85 n ASP 465 CO 0.00 0.00 0.00 0.33 -1.92 0.00 0.00 177.20 175.61 1q85 n PHE 466 N -4.23 0.00 0.16 -0.67 -0.00 0.09 -4.85 117.46 107.95 1q85 n PHE 466 Ca -0.26 -0.29 0.15 0.00 -0.00 0.00 0.00 57.45 57.05 1q85 n PHE 466 Cb 0.66 -0.05 0.72 0.00 -0.00 0.00 0.00 39.48 40.81 1q85 n PHE 466 CO 0.00 0.00 0.00 0.77 -0.00 0.00 0.00 176.76 177.53 1q85 h SER 467 N 0.00 0.00 -0.15 -2.13 0.02 -1.90 -2.50 113.55 106.88 1q85 h SER 467 Ca 0.00 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.95 1q85 h SER 467 Cb 0.96 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.50 1q85 h SER 467 CO 0.00 0.00 0.00 -0.90 -1.14 0.00 0.00 176.83 174.79 1q85 n ASP 468 N -4.28 1.76 -0.82 3.07 3.85 -1.26 -4.16 116.55 114.71 1q85 n ASP 468 Ca 0.03 -1.69 0.01 0.00 -0.71 0.00 0.00 54.79 52.43 1q85 n ASP 468 Cb 0.33 -0.09 0.19 0.00 -1.35 0.00 0.00 41.12 40.19 1q85 n ASP 468 CO 0.00 0.00 0.00 0.54 -1.01 0.00 0.00 177.20 176.73 1q85 n ARG 469 N 0.38 1.83 -4.23 0.11 1.74 -0.94 -4.94 116.66 110.61 1q85 n ARG 469 Ca 0.17 -3.38 -0.14 0.00 -0.77 0.00 0.00 57.85 53.73 1q85 n ARG 469 Cb 0.35 -1.71 -0.10 0.00 -1.02 0.00 0.00 32.46 29.98 1q85 n ARG 469 CO 0.00 0.00 0.00 0.14 -1.52 0.00 0.00 177.63 176.25 1q85 s VAL 470 N -3.39 1.07 -0.02 1.55 -7.23 -1.26 -0.84 120.40 110.28 1q85 s VAL 470 Ca 0.40 -1.95 0.03 0.00 -1.81 0.00 0.00 61.98 58.65 1q85 s VAL 470 Cb 0.38 -1.72 -0.00 0.00 0.56 0.00 0.00 36.38 35.60 1q85 s VAL 470 CO -0.05 -0.71 -0.10 -0.51 -0.31 0.00 0.00 175.10 173.42 1q85 s ILE 471 N -3.13 0.84 -0.14 -0.62 2.07 -0.33 -4.60 121.20 115.29 1q85 s ILE 471 Ca 0.14 -0.41 -0.11 0.00 -1.41 0.00 0.00 60.65 58.86 1q85 s ILE 471 Cb 0.01 -0.74 -0.05 0.00 0.13 0.00 0.00 42.46 41.82 1q85 s ILE 471 CO -0.00 0.26 0.22 -0.36 -1.91 0.00 0.00 174.94 173.14 1q85 s PHE 472 N 0.07 3.53 -0.32 3.50 0.08 -0.67 -0.37 117.98 123.81 1q85 s PHE 472 Ca -0.01 0.56 -0.02 0.00 0.12 0.00 0.00 56.93 57.57 1q85 s PHE 472 Cb -0.08 -2.16 0.05 0.00 -0.57 0.00 0.00 43.02 40.27 1q85 s PHE 472 CO 0.00 0.47 0.03 0.34 -0.10 0.00 0.00 175.22 175.96 1q85 s ASP 473 N -0.25 4.98 0.50 1.36 3.68 -0.30 -1.28 116.67 125.36 1q85 s ASP 473 Ca 0.15 -1.34 0.34 0.00 2.13 0.00 0.00 52.55 53.82 1q85 s ASP 473 Cb -0.13 -1.74 1.77 0.00 -1.45 0.00 0.00 42.92 41.38 1q85 s ASP 473 CO 0.04 -0.30 2.03 1.55 0.13 0.00 0.00 175.17 178.62 1q85 h PRO 474 N 8.02 0.00 -2.75 4.34 0.13 -1.85 -0.15 132.00 139.74 1q85 h PRO 474 Ca -0.20 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.93 1q85 h PRO 474 Cb 1.06 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.19 1q85 h PRO 474 CO 0.56 0.00 0.00 0.41 -0.23 0.00 0.00 178.00 178.74 1q85 n GLY 475 N -1.00 -2.61 3.70 1.56 0.00 -1.26 -4.60 105.19 100.98 1q85 n GLY 475 Ca -0.02 -0.29 -0.42 0.00 0.00 0.00 0.00 46.02 45.30 1q85 n GLY 475 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1q85 s VAL 476 N 0.00 4.89 0.23 1.61 1.01 -1.26 -4.98 120.40 121.90 1q85 s VAL 476 Ca 0.00 1.87 0.06 0.00 0.00 0.00 0.00 61.98 63.91 1q85 s VAL 476 Cb 0.00 -4.23 -0.04 0.00 0.00 0.00 0.00 36.38 32.11 1q85 s VAL 476 CO 0.00 0.13 0.22 -0.76 0.00 0.00 0.00 175.10 174.69 1q85 s LEU 477 N 1.31 3.95 0.16 3.92 1.43 -1.26 -4.71 118.68 123.48 1q85 s LEU 477 Ca 0.46 -0.14 -0.32 0.00 -1.03 0.00 0.00 54.13 53.11 1q85 s LEU 477 Cb -0.19 -2.50 -0.12 0.00 0.03 0.00 0.00 46.19 43.42 1q85 s LEU 477 CO 0.22 -0.02 1.76 -2.65 0.23 0.00 0.00 176.35 175.89 1q85 n PRO 478 N -1.03 2.72 -0.26 1.29 -0.02 -1.19 -4.44 135.00 132.07 1q85 n PRO 478 Ca -0.08 0.99 -0.05 0.00 -2.02 0.00 0.00 63.50 62.33 1q85 n PRO 478 Cb 0.57 -2.85 0.05 0.00 -0.02 0.00 0.00 33.50 31.26 1q85 n PRO 478 CO 0.00 0.00 0.00 1.25 1.98 0.00 0.00 175.50 178.73 1q85 h LEU 479 N 7.49 0.89 -4.50 2.45 5.85 -0.83 -1.99 115.31 124.67 1q85 h LEU 479 Ca -0.45 -0.09 -0.38 0.00 0.84 0.00 0.00 57.88 57.81 1q85 h LEU 479 Cb 1.22 -0.23 -0.02 0.00 0.37 0.00 0.00 40.66 42.00 1q85 h LEU 479 CO 0.95 0.72 1.44 0.61 -0.34 0.00 0.00 178.44 181.81 1q85 n GLY 480 N -1.11 3.42 0.00 3.75 0.00 -1.26 -2.28 105.19 107.71 1q85 n GLY 480 Ca 0.06 -1.26 0.00 0.00 0.00 0.00 0.00 46.02 44.82 1q85 n GLY 480 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1q85 n ALA 481 N 3.03 0.00 -3.49 4.61 0.00 -0.97 -5.00 120.51 118.68 1q85 n ALA 481 Ca 0.56 0.00 -0.22 0.00 0.00 0.00 0.00 53.44 53.77 1q85 n ALA 481 Cb 0.58 0.00 0.04 0.00 0.00 0.00 0.00 19.45 20.08 1q85 n ALA 481 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.50 175.59 1q85 n GLU 482 N 0.00 -1.53 0.19 0.00 2.13 -0.96 -4.86 120.64 115.60 1q85 n GLU 482 Ca 0.00 0.73 0.08 0.00 0.66 0.00 0.00 57.16 58.63 1q85 n GLU 482 Cb 0.00 -4.69 0.16 0.00 0.27 0.00 0.00 31.44 27.18 1q85 n GLU 482 CO 0.00 0.00 0.00 0.78 -0.41 0.00 0.00 177.13 177.50 1q85 h GLY 483 N -1.25 0.00 -5.80 8.31 0.00 -1.48 -3.49 103.07 99.36 1q85 h GLY 483 Ca -0.56 0.00 -0.33 0.00 0.00 0.00 0.00 47.33 46.44 1q85 h GLY 483 CO 0.44 0.00 -0.89 0.28 0.00 0.00 0.00 176.54 176.37 1q85 n LYS 484 N -3.18 -1.99 0.10 4.80 5.02 -1.26 -4.56 118.16 117.09 1q85 n LYS 484 Ca 0.03 0.69 0.20 0.00 -2.02 0.00 0.00 58.31 57.20 1q85 n LYS 484 Cb 0.60 -5.09 0.76 0.00 -0.02 0.00 0.00 35.03 31.27 1q85 n LYS 484 CO 0.00 0.00 0.00 -1.00 -0.52 0.00 0.00 177.40 175.88 1q85 h PRO 485 N -1.47 0.00 -0.50 1.97 0.13 -1.93 -0.90 132.00 129.30 1q85 h PRO 485 Ca -0.63 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.50 1q85 h PRO 485 Cb 1.33 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 32.44 1q85 h PRO 485 CO 0.46 0.00 0.33 0.28 -0.23 0.00 0.00 178.00 178.84 1q85 h VAL 486 N 0.00 1.13 0.00 1.56 2.07 -2.00 -0.67 116.25 118.34 1q85 h VAL 486 Ca 0.18 -0.23 -0.01 0.00 0.82 0.00 0.00 66.70 67.46 1q85 h VAL 486 Cb 0.95 0.40 -0.00 0.00 -1.52 0.00 0.00 31.29 31.11 1q85 h VAL 486 CO -0.00 0.12 -0.04 -0.33 0.02 0.00 0.00 177.57 177.34 1q85 h GLU 487 N 0.68 0.00 0.18 1.57 4.39 -1.50 -2.13 114.58 117.77 1q85 h GLU 487 Ca 0.18 0.00 -0.33 0.00 0.34 0.00 0.00 59.36 59.55 1q85 h GLU 487 Cb -0.08 0.00 0.01 0.00 -0.10 0.00 0.00 28.75 28.58 1q85 h GLU 487 CO -0.04 0.04 -1.62 0.28 -1.16 0.00 0.00 179.01 176.51 1q85 h VAL 488 N 0.00 1.09 -0.87 3.13 2.07 -1.24 -2.88 116.25 117.55 1q85 h VAL 488 Ca -0.00 -2.65 0.01 0.00 0.82 0.00 0.00 66.70 64.88 1q85 h VAL 488 Cb 0.67 2.83 -0.04 0.00 -1.52 0.00 0.00 31.29 33.22 1q85 h VAL 488 CO 0.00 0.84 0.57 -0.07 0.02 0.00 0.00 177.57 178.93 1q85 h LEU 489 N 0.11 1.01 -0.28 2.57 3.38 -1.02 0.11 115.31 121.18 1q85 h LEU 489 Ca -0.29 -0.03 -0.00 0.00 0.09 0.00 0.00 57.88 57.64 1q85 h LEU 489 Cb 2.09 -0.25 -0.01 0.00 0.09 0.00 0.00 40.66 42.58 1q85 h LEU 489 CO 0.20 0.74 0.17 0.11 0.09 0.00 0.00 178.44 179.75 1q85 h LYS 490 N 1.18 0.38 -0.89 1.13 1.57 -1.46 -1.57 116.57 116.91 1q85 h LYS 490 Ca 0.32 -0.03 0.02 0.00 -1.87 0.00 0.00 60.65 59.08 1q85 h LYS 490 Cb -0.12 -0.08 -0.05 0.00 0.08 0.00 0.00 32.23 32.06 1q85 h LYS 490 CO -0.07 0.30 0.59 1.15 -0.57 0.00 0.00 179.45 180.85 1q85 h THR 491 N 0.36 1.20 -0.28 -0.16 2.02 -1.13 -0.35 112.91 114.57 1q85 h THR 491 Ca 0.10 -0.41 -0.01 0.00 0.77 0.00 0.00 66.41 66.86 1q85 h THR 491 Cb 0.01 -0.08 -0.01 0.00 -1.74 0.00 0.00 68.15 66.32 1q85 h THR 491 CO -0.02 0.22 0.13 0.40 0.37 0.00 0.00 175.52 176.61 1q85 h ILE 492 N 1.19 1.16 -0.74 3.11 2.04 -0.46 -0.43 117.51 123.38 1q85 h ILE 492 Ca 0.34 -0.48 -0.01 0.00 1.00 0.00 0.00 64.86 65.71 1q85 h ILE 492 Cb -0.10 0.96 -0.04 0.00 -0.74 0.00 0.00 36.82 36.90 1q85 h ILE 492 CO -0.09 0.17 0.42 -0.08 0.00 0.00 0.00 178.15 178.57 1q85 h GLU 493 N 0.32 1.02 0.21 2.37 4.81 -0.87 -1.07 114.58 121.36 1q85 h GLU 493 Ca 0.10 -0.11 -0.01 0.00 -0.13 0.00 0.00 59.36 59.21 1q85 h GLU 493 Cb 0.15 -0.21 0.00 0.00 0.63 0.00 0.00 28.75 29.32 1q85 h GLU 493 CO -0.01 0.74 -0.10 0.35 -0.73 0.00 0.00 179.01 179.26 1q85 h PHE 494 N 1.01 -0.26 -0.83 0.92 3.57 -0.84 -1.63 116.94 118.88 1q85 h PHE 494 Ca 0.26 -0.01 0.01 0.00 3.53 0.00 0.00 57.97 61.76 1q85 h PHE 494 Cb 0.01 0.09 -0.04 0.00 2.79 0.00 0.00 35.95 38.79 1q85 h PHE 494 CO -0.01 -0.01 0.55 0.82 -2.23 0.00 0.00 178.31 177.44 1q85 h ILE 495 N -0.48 1.21 -0.69 1.41 2.04 -1.00 -2.09 117.51 117.92 1q85 h ILE 495 Ca -0.03 -0.39 -0.04 0.00 1.00 0.00 0.00 64.86 65.41 1q85 h ILE 495 Cb 0.37 -0.01 -0.03 0.00 -0.74 0.00 0.00 36.82 36.40 1q85 h ILE 495 CO 0.05 0.21 0.29 0.28 0.00 0.00 0.00 178.15 178.97 1q85 h SER 496 N 1.13 0.94 0.31 1.72 0.02 -1.10 -2.07 113.55 114.50 1q85 h SER 496 Ca 0.31 -0.16 -0.02 0.00 -0.84 0.00 0.00 61.79 61.07 1q85 h SER 496 Cb -0.13 -0.24 -0.00 0.00 0.14 0.00 0.00 62.40 62.17 1q85 h SER 496 CO -0.07 0.84 -0.09 0.77 -1.14 0.00 0.00 176.83 177.15 1q85 h SER 497 N 0.97 0.00 0.18 3.07 4.64 -0.60 -0.11 113.55 121.70 1q85 h SER 497 Ca 0.23 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.55 1q85 h SER 497 Cb 0.19 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.28 1q85 h SER 497 CO -0.02 0.09 -0.03 0.29 -0.87 0.00 0.00 176.83 176.29 1q85 n LYS 498 N -3.63 0.93 -1.41 4.77 4.76 -0.79 -4.92 118.16 117.87 1q85 n LYS 498 Ca -0.02 -0.20 0.00 0.00 -2.87 0.00 0.00 58.31 55.22 1q85 n LYS 498 Cb 0.21 -1.50 0.00 0.00 -1.84 0.00 0.00 35.03 31.90 1q85 n LYS 498 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 1q85 n GLY 499 N 1.14 0.52 3.53 0.72 0.00 -0.05 -5.07 105.19 105.98 1q85 n GLY 499 Ca 0.19 -0.85 -0.30 0.00 0.00 0.00 0.00 46.02 45.06 1q85 n GLY 499 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1q85 s PHE 500 N -2.00 2.66 0.67 1.61 0.40 -1.13 -5.05 117.98 115.14 1q85 s PHE 500 Ca 0.00 -0.19 -0.11 0.00 -0.60 0.00 0.00 56.93 56.02 1q85 s PHE 500 Cb 0.00 -1.43 -0.01 0.00 0.51 0.00 0.00 43.02 42.10 1q85 s PHE 500 CO 0.00 0.38 1.05 -0.80 0.70 0.00 0.00 175.22 176.55 1q85 s ASN 501 N -1.99 5.58 0.13 1.36 -0.87 -1.26 -4.24 114.94 113.66 1q85 s ASN 501 Ca 0.19 1.59 -0.01 0.00 -1.57 0.00 0.00 52.86 53.06 1q85 s ASN 501 Cb -0.11 -2.49 -0.04 0.00 -0.02 0.00 0.00 41.25 38.59 1q85 s ASN 501 CO 0.11 -1.31 0.05 0.42 -2.57 0.00 0.00 177.10 173.80 1q85 s THR 502 N -3.03 0.16 0.22 1.60 -4.23 -1.26 -1.66 115.64 107.43 1q85 s THR 502 Ca 0.58 -1.92 -0.17 0.00 -1.18 0.00 0.00 61.69 59.00 1q85 s THR 502 Cb -0.13 -2.05 0.02 0.00 1.34 0.00 0.00 72.50 71.68 1q85 s THR 502 CO 0.53 -0.47 0.54 0.28 -0.54 0.00 0.00 174.62 174.97 1q85 s THR 503 N -4.01 0.02 -0.01 3.99 -1.32 -0.40 -2.55 115.64 111.36 1q85 s THR 503 Ca 0.24 -0.94 -0.16 0.00 -1.21 0.00 0.00 61.69 59.62 1q85 s THR 503 Cb 0.07 -1.77 0.03 0.00 -1.51 0.00 0.00 72.50 69.32 1q85 s THR 503 CO 0.02 -0.08 0.34 0.68 -2.21 0.00 0.00 174.62 173.37 1q85 s VAL 504 N -3.91 0.06 -1.14 5.08 -7.23 -1.24 -3.98 120.40 108.03 1q85 s VAL 504 Ca 0.12 -0.46 -0.16 0.00 -1.81 0.00 0.00 61.98 59.66 1q85 s VAL 504 Cb -0.02 -0.68 0.13 0.00 0.56 0.00 0.00 36.38 36.38 1q85 s VAL 504 CO 0.01 -0.26 1.41 -0.83 -0.31 0.00 0.00 175.10 175.13 1q85 s GLY 505 N -1.41 2.06 0.13 2.32 0.00 -1.26 -1.33 107.32 107.83 1q85 s GLY 505 Ca -0.12 -3.05 -0.33 0.00 0.00 0.00 0.00 44.72 41.22 1q85 s GLY 505 CO 0.04 2.22 1.55 -2.00 0.00 0.00 0.00 173.10 174.91 1q85 h LEU 506 N 10.65 -1.77 -1.18 0.66 6.46 -1.83 -2.60 115.31 125.70 1q85 h LEU 506 Ca 0.29 0.23 0.00 0.00 -0.12 0.00 0.00 57.88 58.28 1q85 h LEU 506 Cb 0.92 0.71 0.00 0.00 -0.73 0.00 0.00 40.66 41.56 1q85 h LEU 506 CO 1.27 -0.44 0.12 -1.20 -0.62 0.00 0.00 178.44 177.57 1q85 n SER 507 N -5.40 0.46 0.00 1.25 7.64 -1.26 -1.48 113.62 114.83 1q85 n SER 507 Ca -0.04 0.67 0.10 0.00 1.01 0.00 0.00 58.87 60.61 1q85 n SER 507 Cb 0.36 -0.69 0.51 0.00 -1.01 0.00 0.00 64.21 63.38 1q85 n SER 507 CO 0.00 0.00 0.00 -3.20 -3.01 0.00 0.00 175.04 168.83 1q85 n ASN 508 N -2.16 0.00 -0.01 6.43 2.85 -0.98 -2.93 115.26 118.47 1q85 n ASN 508 Ca -0.01 0.16 -0.17 0.00 -0.11 0.00 0.00 54.58 54.45 1q85 n ASN 508 Cb 0.15 -0.36 -0.11 0.00 1.24 0.00 0.00 39.78 40.70 1q85 n ASN 508 CO 0.00 0.00 0.00 0.25 -2.11 0.00 0.00 177.26 175.40 1q85 h LEU 509 N 0.00 0.48 -3.29 1.20 5.85 -1.45 -3.15 115.31 114.96 1q85 h LEU 509 Ca 0.00 -0.74 0.00 0.00 0.84 0.00 0.00 57.88 57.98 1q85 h LEU 509 Cb 0.26 -0.15 0.00 0.00 0.37 0.00 0.00 40.66 41.14 1q85 h LEU 509 CO 0.00 1.15 0.00 -1.54 -0.34 0.00 0.00 178.44 177.71 1q85 n SER 510 N -4.29 5.24 -4.69 1.25 3.41 -1.15 -0.22 113.62 113.17 1q85 n SER 510 Ca -0.10 -2.78 -0.42 0.00 -0.26 0.00 0.00 58.87 55.31 1q85 n SER 510 Cb 0.62 -0.65 -0.03 0.00 -0.26 0.00 0.00 64.21 63.89 1q85 n SER 510 CO 0.00 0.00 0.00 0.33 -0.16 0.00 0.00 175.04 175.21 1q85 n PHE 511 N 0.68 2.62 -2.39 7.33 -0.00 -1.19 -2.89 117.46 121.62 1q85 n PHE 511 Ca 0.26 -0.20 -0.03 0.00 -0.00 0.00 0.00 57.45 57.48 1q85 n PHE 511 Cb 1.08 -2.75 0.01 0.00 -0.00 0.00 0.00 39.48 37.82 1q85 n PHE 511 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.76 177.17 1q85 n GLY 512 N 4.31 -0.64 3.58 7.13 0.00 -1.26 -4.61 105.19 113.69 1q85 n GLY 512 Ca 0.18 0.18 -0.14 0.00 0.00 0.00 0.00 46.02 46.24 1q85 n GLY 512 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1q85 s LEU 513 N -3.47 -0.59 0.30 0.99 1.43 -1.14 -4.74 118.68 111.47 1q85 s LEU 513 Ca 0.08 0.85 -0.27 0.00 -1.03 0.00 0.00 54.13 53.75 1q85 s LEU 513 Cb -0.01 2.27 -0.09 0.00 0.03 0.00 0.00 46.19 48.39 1q85 s LEU 513 CO 0.41 -0.40 0.97 -2.16 0.23 0.00 0.00 176.35 175.40 1q85 s PRO 514 N -0.59 4.63 -1.18 1.29 0.04 -1.26 -3.72 135.00 134.21 1q85 s PRO 514 Ca -0.04 1.44 -0.02 0.00 0.04 0.00 0.00 61.00 62.42 1q85 s PRO 514 Cb -0.02 -2.95 -0.02 0.00 0.04 0.00 0.00 34.50 31.55 1q85 s PRO 514 CO 0.04 0.30 0.93 -0.25 0.04 0.00 0.00 177.00 178.05 1q85 n ASP 515 N 0.83 -3.13 0.21 6.66 8.00 -1.26 -4.87 116.55 122.99 1q85 n ASP 515 Ca 0.01 -0.69 0.04 0.00 0.71 0.00 0.00 54.79 54.86 1q85 n ASP 515 Cb 0.49 -4.92 0.44 0.00 -0.02 0.00 0.00 41.12 37.11 1q85 n ASP 515 CO 0.00 0.00 0.00 0.08 -0.39 0.00 0.00 177.20 176.89 1q85 h ARG 516 N -1.70 0.00 -0.91 -1.24 0.11 -1.87 -2.82 114.38 105.95 1q85 h ARG 516 Ca -0.60 0.00 0.12 0.00 0.10 0.00 0.00 59.98 59.60 1q85 h ARG 516 Cb 1.34 0.00 -0.08 0.00 1.11 0.00 0.00 29.97 32.33 1q85 h ARG 516 CO 0.49 0.27 0.54 1.03 0.10 0.00 0.00 179.97 182.40 1q85 h SER 517 N 0.00 0.76 -0.41 0.08 0.87 -1.92 0.45 113.55 113.37 1q85 h SER 517 Ca -0.00 0.06 -0.15 0.00 -1.23 0.00 0.00 61.79 60.46 1q85 h SER 517 Cb 0.48 -0.08 -0.01 0.00 -0.44 0.00 0.00 62.40 62.35 1q85 h SER 517 CO 0.03 0.39 -0.34 1.88 -0.53 0.00 0.00 176.83 178.26 1q85 h TYR 518 N 0.84 1.14 -0.40 2.24 -1.99 -1.87 -0.29 116.97 116.64 1q85 h TYR 518 Ca 0.46 -0.33 -0.14 0.00 2.00 0.00 0.00 58.73 60.72 1q85 h TYR 518 Cb 0.51 -0.25 -0.01 0.00 2.00 0.00 0.00 36.73 38.98 1q85 h TYR 518 CO -0.04 1.16 -0.32 1.88 -0.00 0.00 0.00 178.16 180.84 1q85 h TYR 519 N 0.79 1.07 -0.28 4.88 -1.99 -1.43 -0.38 116.97 119.63 1q85 h TYR 519 Ca 0.07 -0.29 -0.01 0.00 2.00 0.00 0.00 58.73 60.50 1q85 h TYR 519 Cb 0.94 -0.24 -0.01 0.00 2.00 0.00 0.00 36.73 39.42 1q85 h TYR 519 CO 0.06 1.10 0.13 -0.91 -0.00 0.00 0.00 178.16 178.54 1q85 h ASN 520 N 0.76 0.37 0.11 3.88 2.35 -0.85 -0.18 115.58 122.02 1q85 h ASN 520 Ca 0.08 -0.14 -0.01 0.00 -0.55 0.00 0.00 56.30 55.69 1q85 h ASN 520 Cb 0.89 -0.09 0.00 0.00 0.05 0.00 0.00 38.32 39.17 1q85 h ASN 520 CO 0.08 0.40 -0.05 0.74 -1.65 0.00 0.00 177.43 176.95 1q85 h THR 521 N 0.31 0.92 -0.45 2.81 2.02 -0.93 -0.92 112.91 116.66 1q85 h THR 521 Ca 0.09 -0.12 0.05 0.00 0.77 0.00 0.00 66.41 67.21 1q85 h THR 521 Cb 0.14 1.00 -0.05 0.00 -1.74 0.00 0.00 68.15 67.49 1q85 h THR 521 CO -0.01 0.03 0.18 0.00 0.37 0.00 0.00 175.52 176.09 1q85 h ALA 522 N 0.69 0.55 -0.46 6.16 0.00 -0.97 -1.53 119.26 123.70 1q85 h ALA 522 Ca -0.02 0.05 -0.03 0.00 0.00 0.00 0.00 54.91 54.92 1q85 h ALA 522 Cb 0.16 0.01 -0.02 0.00 0.00 0.00 0.00 17.79 17.94 1q85 h ALA 522 CO 0.02 -0.20 0.19 0.35 0.00 0.00 0.00 179.25 179.61 1q85 h PHE 523 N 0.36 0.69 -0.12 0.00 3.57 -0.85 -2.40 116.94 118.19 1q85 h PHE 523 Ca 0.21 -0.05 0.02 0.00 3.53 0.00 0.00 57.97 61.67 1q85 h PHE 523 Cb 0.18 -0.21 -0.02 0.00 2.79 0.00 0.00 35.95 38.70 1q85 h PHE 523 CO -0.14 0.59 0.02 1.25 -2.23 0.00 0.00 178.31 177.80 1q85 h LEU 524 N 0.60 -0.01 -0.21 0.59 6.46 -0.78 0.21 115.31 122.17 1q85 h LEU 524 Ca 0.15 0.02 0.04 0.00 -0.12 0.00 0.00 57.88 57.98 1q85 h LEU 524 Cb 0.19 0.03 -0.04 0.00 -0.73 0.00 0.00 40.66 40.11 1q85 h LEU 524 CO -0.01 0.02 -0.06 0.58 -0.62 0.00 0.00 178.44 178.34 1q85 h VAL 525 N 0.07 0.76 -0.49 1.05 2.07 -1.20 0.76 116.25 119.27 1q85 h VAL 525 Ca 0.05 0.00 0.01 0.00 0.82 0.00 0.00 66.70 67.58 1q85 h VAL 525 Cb 0.05 0.76 -0.03 0.00 -1.52 0.00 0.00 31.29 30.56 1q85 h VAL 525 CO -0.08 0.00 0.32 -0.07 0.02 0.00 0.00 177.57 177.76 1q85 h LEU 526 N -0.02 0.54 -0.35 2.57 4.07 -1.15 -1.97 115.31 119.01 1q85 h LEU 526 Ca 0.10 -0.01 0.01 0.00 0.08 0.00 0.00 57.88 58.07 1q85 h LEU 526 Cb 0.18 -0.13 -0.02 0.00 1.08 0.00 0.00 40.66 41.76 1q85 h LEU 526 CO -0.23 0.39 0.20 1.23 -1.08 0.00 0.00 178.44 178.96 1q85 h GLY 527 N 0.65 0.48 1.16 0.83 0.00 0.07 -2.48 103.07 103.78 1q85 h GLY 527 Ca 0.19 -0.15 -0.02 0.00 0.00 0.00 0.00 47.33 47.34 1q85 h GLY 527 CO -0.05 0.14 0.42 -2.22 0.00 0.00 0.00 176.54 174.82 1q85 h ILE 528 N 0.42 1.23 0.00 2.60 2.04 -0.67 -0.74 117.51 122.39 1q85 h ILE 528 Ca 0.14 -0.60 0.00 0.00 1.00 0.00 0.00 64.86 65.40 1q85 h ILE 528 Cb 0.00 0.18 0.00 0.00 -0.74 0.00 0.00 36.82 36.26 1q85 h ILE 528 CO -0.06 0.27 0.00 0.77 0.00 0.00 0.00 178.15 179.12 1q85 h SER 529 N 1.10 0.00 0.04 1.72 4.64 -0.96 -1.53 113.55 118.55 1q85 h SER 529 Ca 0.28 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.60 1q85 h SER 529 Cb 0.04 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.13 1q85 h SER 529 CO -0.04 0.00 -0.20 0.29 -0.87 0.00 0.00 176.83 176.01 1q85 n LYS 530 N -3.07 1.53 0.00 4.77 4.01 -0.46 -4.94 118.16 120.00 1q85 n LYS 530 Ca -0.01 -1.14 0.00 0.00 -0.51 0.00 0.00 58.31 56.65 1q85 n LYS 530 Cb 0.20 -1.48 0.00 0.00 -0.51 0.00 0.00 35.03 33.24 1q85 n LYS 530 CO 0.00 0.00 0.00 0.41 -1.11 0.00 0.00 177.40 176.70 1q85 n GLY 531 N 1.33 1.10 3.67 0.72 0.00 -0.58 -3.64 105.19 107.79 1q85 n GLY 531 Ca 0.13 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.72 1q85 n GLY 531 CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22 1q85 n LEU 532 N 0.00 4.03 0.01 0.99 7.94 -0.41 -4.78 117.00 124.79 1q85 n LEU 532 Ca 0.00 0.92 0.12 0.00 -1.11 0.00 0.00 56.01 55.94 1q85 n LEU 532 Cb 0.00 -1.50 0.18 0.00 0.53 0.00 0.00 43.42 42.63 1q85 n LEU 532 CO 0.00 0.15 0.34 -1.54 -1.11 0.00 0.00 177.39 175.23 1q85 n SER 533 N 7.30 0.58 -3.68 1.96 3.41 -1.23 -4.60 113.62 117.36 1q85 n SER 533 Ca 0.20 -0.24 -0.02 0.00 -0.26 0.00 0.00 58.87 58.55 1q85 n SER 533 Cb 0.38 0.37 -0.01 0.00 -0.26 0.00 0.00 64.21 64.70 1q85 n SER 533 CO 0.00 0.00 0.00 -0.94 -0.16 0.00 0.00 175.04 173.94 1q85 s SER 534 N -3.32 -0.12 -0.26 4.04 1.04 -1.06 -1.01 113.70 113.01 1q85 s SER 534 Ca 0.09 -0.36 -0.25 0.00 0.48 0.00 0.00 55.95 55.91 1q85 s SER 534 Cb 0.16 0.39 0.09 0.00 0.10 0.00 0.00 66.02 66.76 1q85 s SER 534 CO 0.73 -0.73 0.82 0.00 0.98 0.00 0.00 173.24 175.03 1q85 s ALA 535 N -2.90 -1.84 -0.08 5.32 0.00 -1.10 -3.73 121.76 117.42 1q85 s ALA 535 Ca 0.14 1.95 -0.22 0.00 0.00 0.00 0.00 51.96 53.83 1q85 s ALA 535 Cb 0.00 -1.21 -0.04 0.00 0.00 0.00 0.00 23.12 21.88 1q85 s ALA 535 CO 0.01 -0.31 0.63 0.42 0.00 0.00 0.00 175.76 176.51 1q85 s ILE 536 N 0.25 5.09 -0.40 0.00 1.01 -0.44 -1.40 121.20 125.31 1q85 s ILE 536 Ca 0.01 1.29 -0.08 0.00 0.00 0.00 0.00 60.65 61.87 1q85 s ILE 536 Cb -0.05 -3.97 0.07 0.00 0.01 0.00 0.00 42.46 38.52 1q85 s ILE 536 CO -0.01 0.27 0.22 0.21 0.00 0.00 0.00 174.94 175.64 1q85 s ASN 538 N 0.75 5.54 0.00 3.58 3.84 -1.26 -2.29 114.94 125.10 1q85 s ASN 538 Ca 0.34 -1.45 0.22 0.00 0.21 0.00 0.00 52.86 52.18 1q85 s ASN 538 Cb -0.17 -1.95 1.15 0.00 -0.55 0.00 0.00 41.25 39.73 1q85 s ASN 538 CO 0.16 -0.49 1.72 -0.81 -2.79 0.00 0.00 177.10 174.88 1q85 n PRO 539 N 4.87 0.37 -0.07 0.43 -0.04 -1.26 -2.55 135.00 136.75 1q85 n PRO 539 Ca -0.10 0.07 0.12 0.00 -0.04 0.00 0.00 63.50 63.55 1q85 n PRO 539 Cb 0.43 -1.50 0.35 0.00 -0.04 0.00 0.00 33.50 32.75 1q85 n PRO 539 CO 0.00 0.00 0.00 1.28 -0.04 0.00 0.00 175.50 176.74 1q85 n LEU 540 N -1.25 2.08 -4.42 1.53 4.32 -1.26 -4.67 117.00 113.33 1q85 n LEU 540 Ca 0.11 -0.82 -0.44 0.00 -0.02 0.00 0.00 56.01 54.84 1q85 n LEU 540 Cb 0.16 -0.09 -0.03 0.00 -1.62 0.00 0.00 43.42 41.84 1q85 n LEU 540 CO 0.16 0.41 0.79 -0.62 -1.22 0.00 0.00 177.39 176.91 1q85 s ASP 541 N -1.70 6.53 0.31 -1.43 -1.08 -1.06 -4.91 116.67 113.33 1q85 s ASP 541 Ca 0.34 -1.93 0.05 0.00 -0.52 0.00 0.00 52.55 50.50 1q85 s ASP 541 Cb 0.19 -2.36 0.69 0.00 -1.46 0.00 0.00 42.92 39.98 1q85 s ASP 541 CO 0.29 -1.05 1.84 -0.08 0.52 0.00 0.00 175.17 176.69 1q85 h GLU 542 N 8.82 0.82 -0.11 4.34 4.81 -1.89 -1.98 114.58 129.39 1q85 h GLU 542 Ca 0.03 -0.05 -0.01 0.00 -0.13 0.00 0.00 59.36 59.20 1q85 h GLU 542 Cb 1.04 -0.18 -0.00 0.00 0.63 0.00 0.00 28.75 30.23 1q85 h GLU 542 CO 1.06 0.54 0.02 1.15 -0.73 0.00 0.00 179.01 181.05 1q85 h THR 543 N 0.84 1.21 0.00 0.32 2.02 -1.98 -1.32 112.91 114.00 1q85 h THR 543 Ca 0.49 -0.66 0.00 0.00 0.77 0.00 0.00 66.41 67.02 1q85 h THR 543 Cb 0.65 1.44 0.00 0.00 -1.74 0.00 0.00 68.15 68.50 1q85 h THR 543 CO -0.26 0.19 0.00 -0.11 0.37 0.00 0.00 175.52 175.71 1q85 n LEU 544 N -4.85 0.00 0.00 2.58 7.94 -0.74 -1.16 117.00 120.77 1q85 n LEU 544 Ca -0.06 0.00 0.00 0.00 -1.11 0.00 0.00 56.01 54.84 1q85 n LEU 544 Cb 0.17 0.00 0.00 0.00 0.53 0.00 0.00 43.42 44.12 1q85 n LEU 544 CO 0.35 0.00 0.00 0.29 -1.11 0.00 0.00 177.39 176.92 1q85 n LYS 546 N 0.63 0.00 0.08 1.96 5.02 -0.50 -1.00 118.16 124.36 1q85 n LYS 546 Ca 0.00 0.00 -0.01 0.00 -2.02 0.00 0.00 58.31 56.28 1q85 n LYS 546 Cb 0.00 0.00 0.25 0.00 -0.02 0.00 0.00 35.03 35.26 1q85 n LYS 546 CO 0.00 0.00 0.00 1.15 -0.52 0.00 0.00 177.40 178.03 1q85 h THR 547 N 0.00 1.28 -0.27 -0.18 2.02 -1.37 0.62 112.91 115.01 1q85 h THR 547 Ca 0.00 -1.34 -0.05 0.00 0.77 0.00 0.00 66.41 65.79 1q85 h THR 547 Cb 0.00 1.53 -0.01 0.00 -1.74 0.00 0.00 68.15 67.94 1q85 h THR 547 CO 0.00 0.41 -0.03 0.25 0.37 0.00 0.00 175.52 176.52 1q85 h LEU 548 N 0.25 0.49 -0.28 2.58 5.85 -1.28 -0.65 115.31 122.26 1q85 h LEU 548 Ca 0.03 -0.33 -0.01 0.00 0.84 0.00 0.00 57.88 58.41 1q85 h LEU 548 Cb 0.71 -0.13 -0.01 0.00 0.37 0.00 0.00 40.66 41.59 1q85 h LEU 548 CO 0.05 0.71 0.15 -1.13 -0.34 0.00 0.00 178.44 177.88 1q85 h ASN 549 N 0.27 0.36 -0.90 1.25 -0.73 -1.71 -1.94 115.58 112.17 1q85 h ASN 549 Ca 0.07 -0.09 0.06 0.00 1.87 0.00 0.00 56.30 58.21 1q85 h ASN 549 Cb 0.47 -0.09 -0.06 0.00 0.27 0.00 0.00 38.32 38.91 1q85 h ASN 549 CO 0.02 0.35 0.57 0.00 -0.37 0.00 0.00 177.43 178.00 1q85 h ALA 550 N 1.02 1.25 -0.55 1.57 0.00 -0.83 -1.92 119.26 119.80 1q85 h ALA 550 Ca 0.10 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.00 1q85 h ALA 550 Cb 0.07 -0.26 -0.03 0.00 0.00 0.00 0.00 17.79 17.58 1q85 h ALA 550 CO -0.02 0.33 0.35 1.15 0.00 0.00 0.00 179.25 181.07 1q85 h THR 551 N 1.04 1.15 -0.33 0.00 2.02 -0.54 -1.06 112.91 115.18 1q85 h THR 551 Ca 0.39 -0.31 -0.10 0.00 0.77 0.00 0.00 66.41 67.16 1q85 h THR 551 Cb 0.17 0.36 -0.02 0.00 -1.74 0.00 0.00 68.15 66.93 1q85 h THR 551 CO -0.17 0.15 -0.20 -0.07 0.37 0.00 0.00 175.52 175.60 1q85 h LEU 552 N 0.75 0.63 -0.52 2.58 -0.00 -0.83 -1.99 115.31 115.93 1q85 h LEU 552 Ca 0.20 -0.21 -0.06 0.00 -0.00 0.00 0.00 57.88 57.82 1q85 h LEU 552 Cb -0.06 -0.17 -0.02 0.00 -0.00 0.00 0.00 40.66 40.41 1q85 h LEU 552 CO -0.04 0.83 0.09 0.58 -0.00 0.00 0.00 178.44 179.90 1q85 h VAL 553 N 0.56 1.25 -0.53 1.22 2.07 -1.02 0.14 116.25 119.94 1q85 h VAL 553 Ca 0.09 -0.92 -0.10 0.00 0.82 0.00 0.00 66.70 66.58 1q85 h VAL 553 Cb 0.65 0.85 -0.02 0.00 -1.52 0.00 0.00 31.29 31.26 1q85 h VAL 553 CO 0.05 0.33 -0.07 0.40 0.02 0.00 0.00 177.57 178.30 1q85 h ILE 554 N 0.73 1.26 -0.17 4.57 2.04 -1.01 -2.73 117.51 122.19 1q85 h ILE 554 Ca 0.16 -1.19 0.00 0.00 1.00 0.00 0.00 64.86 64.82 1q85 h ILE 554 Cb 0.39 0.93 0.00 0.00 -0.74 0.00 0.00 36.82 37.39 1q85 h ILE 554 CO 0.01 0.42 0.00 0.18 0.00 0.00 0.00 178.15 178.76 1q85 n LEU 555 N -4.16 1.25 -2.66 1.44 4.77 -0.77 -4.89 117.00 111.99 1q85 n LEU 555 Ca 0.02 -0.63 -0.21 0.00 -0.03 0.00 0.00 56.01 55.16 1q85 n LEU 555 Cb 0.37 -0.22 0.01 0.00 -2.33 0.00 0.00 43.42 41.25 1q85 n LEU 555 CO 0.44 0.27 -0.14 -0.62 -1.33 0.00 0.00 177.39 176.01 1q85 n GLU 556 N 0.06 -3.22 0.00 3.23 1.02 -1.03 -4.85 120.64 115.85 1q85 n GLU 556 Ca 0.06 0.95 0.12 0.00 -0.02 0.00 0.00 57.16 58.28 1q85 n GLU 556 Cb 0.23 -5.69 0.22 0.00 -0.02 0.00 0.00 31.44 26.18 1q85 n GLU 556 CO 0.00 0.00 0.00 1.63 1.18 0.00 0.00 177.13 179.94 1q85 n LYS 557 N -3.48 0.52 -2.43 3.49 4.76 0.46 -4.98 118.16 116.50 1q85 n LYS 557 Ca -0.18 -0.35 0.01 0.00 -2.87 0.00 0.00 58.31 54.92 1q85 n LYS 557 Cb 0.65 -1.49 0.00 0.00 -1.84 0.00 0.00 35.03 32.36 1q85 n LYS 557 CO 0.00 0.00 0.00 0.36 -1.37 0.00 0.00 177.40 176.39 1q85 n LYS 558 N -0.93 0.07 0.00 1.97 2.85 -1.18 -4.96 118.16 115.97 1q85 n LYS 558 Ca 0.09 -0.25 0.00 0.00 -1.05 0.00 0.00 58.31 57.09 1q85 n LYS 558 Cb 0.36 0.40 0.00 0.00 -0.65 0.00 0.00 35.03 35.14 1q85 n LYS 558 CO 0.00 0.00 0.00 0.39 -0.05 0.00 0.00 177.40 177.74