#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1r8q n ASN 3 N 0.00 1.93 -0.32 1.61 2.85 -1.26 -4.82 115.26 115.25 1r8q n ASN 3 Ca 0.00 0.18 0.04 0.00 -0.11 0.00 0.00 54.58 54.69 1r8q n ASN 3 Cb 0.00 -1.29 0.19 0.00 1.24 0.00 0.00 39.78 39.92 1r8q n ASN 3 CO 0.00 0.00 0.00 0.16 -2.11 0.00 0.00 177.26 175.31 1r8q h ILE 4 N 7.36 0.92 -0.26 -1.44 3.07 -1.99 -2.10 117.51 123.07 1r8q h ILE 4 Ca -0.24 -0.30 -0.06 0.00 1.55 0.00 0.00 64.86 65.82 1r8q h ILE 4 Cb 1.31 -0.02 -0.01 0.00 -0.27 0.00 0.00 36.82 37.83 1r8q h ILE 4 CO 1.10 0.16 -0.07 -0.26 -1.05 0.00 0.00 178.15 178.03 1r8q h PHE 5 N 0.87 0.57 -0.62 0.16 0.04 -1.93 -3.11 116.94 112.90 1r8q h PHE 5 Ca 0.43 -0.12 0.01 0.00 2.80 0.00 0.00 57.97 61.08 1r8q h PHE 5 Cb 0.39 -0.14 -0.03 0.00 2.20 0.00 0.00 35.95 38.37 1r8q h PHE 5 CO -0.04 0.72 0.41 0.00 -0.60 0.00 0.00 178.31 178.80 1r8q h ALA 6 N 0.76 1.57 0.00 2.45 0.00 -1.85 -2.26 119.26 119.93 1r8q h ALA 6 Ca 0.06 -0.04 -0.02 0.00 0.00 0.00 0.00 54.91 54.92 1r8q h ALA 6 Cb 0.54 -0.25 -0.00 0.00 0.00 0.00 0.00 17.79 18.08 1r8q h ALA 6 CO 0.03 0.40 -0.08 -0.91 0.00 0.00 0.00 179.25 178.68 1r8q h ASN 7 N 0.83 0.00 -0.37 0.00 2.35 -1.32 -1.51 115.58 115.56 1r8q h ASN 7 Ca 0.23 0.00 0.08 0.00 -0.55 0.00 0.00 56.30 56.06 1r8q h ASN 7 Cb -0.08 0.00 -0.02 0.00 0.05 0.00 0.00 38.32 38.28 1r8q h ASN 7 CO -0.05 0.08 0.26 -0.07 -1.65 0.00 0.00 177.43 176.00 1r8q h LEU 8 N 0.00 0.13 -2.99 1.61 3.38 -1.37 -2.89 115.31 113.18 1r8q h LEU 8 Ca -0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 1r8q h LEU 8 Cb 0.21 -0.03 0.00 0.00 0.09 0.00 0.00 40.66 40.93 1r8q h LEU 8 CO 0.01 0.08 0.00 0.49 0.09 0.00 0.00 178.44 179.11 1r8q n PHE 9 N -4.46 0.98 -0.35 1.13 3.72 -0.57 -4.73 117.46 113.18 1r8q n PHE 9 Ca 0.05 -0.58 0.03 0.00 -0.05 0.00 0.00 57.45 56.90 1r8q n PHE 9 Cb 0.34 -0.13 0.20 0.00 -0.94 0.00 0.00 39.48 38.95 1r8q n PHE 9 CO 0.00 0.00 0.00 1.57 -0.05 0.00 0.00 176.76 178.28 1r8q h LYS 10 N 3.20 1.10 -3.20 -1.08 2.10 -1.51 -3.14 116.57 114.04 1r8q h LYS 10 Ca 0.00 -0.07 -0.65 0.00 -2.00 0.00 0.00 60.65 57.93 1r8q h LYS 10 Cb 1.12 -0.25 -0.39 0.00 -0.90 0.00 0.00 32.23 31.81 1r8q h LYS 10 CO 0.10 0.73 -0.41 0.20 -2.00 0.00 0.00 179.45 178.07 1r8q s GLY 11 N -3.34 2.94 -0.16 0.07 0.00 -1.26 -4.84 107.32 100.73 1r8q s GLY 11 Ca -0.12 -3.78 -0.13 0.00 0.00 0.00 0.00 44.72 40.69 1r8q s GLY 11 CO 0.81 1.11 0.01 1.41 0.00 0.00 0.00 173.10 176.44 1r8q h LEU 12 N 5.75 0.00 0.00 0.66 3.38 -1.93 -3.48 115.31 119.68 1r8q h LEU 12 Ca 0.13 -0.21 0.00 0.00 0.09 0.00 0.00 57.88 57.88 1r8q h LEU 12 Cb 0.79 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.54 1r8q h LEU 12 CO 0.76 0.99 0.00 0.33 0.09 0.00 0.00 178.44 180.61 1r8q n PHE 13 N -4.57 0.00 -3.85 1.13 -0.00 -1.26 -4.75 117.46 104.15 1r8q n PHE 13 Ca -0.15 0.00 -0.31 0.00 -0.00 0.00 0.00 57.45 56.99 1r8q n PHE 13 Cb 0.39 0.00 -0.06 0.00 -0.00 0.00 0.00 39.48 39.81 1r8q n PHE 13 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.76 177.17 1r8q n GLY 14 N 0.00 -0.38 0.20 7.13 0.00 -1.26 -4.68 105.19 106.20 1r8q n GLY 14 Ca 0.00 0.05 0.08 0.00 0.00 0.00 0.00 46.02 46.15 1r8q n GLY 14 CO 0.00 0.00 0.00 1.70 0.00 0.00 0.00 173.32 175.02 1r8q h LYS 15 N -0.62 0.00 0.00 1.61 3.64 -1.95 -3.47 116.57 115.78 1r8q h LYS 15 Ca -0.43 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 58.95 1r8q h LYS 15 Cb 1.18 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 33.00 1r8q h LYS 15 CO 0.65 0.28 0.00 0.36 -2.27 0.00 0.00 179.45 178.47 1r8q n LYS 16 N -3.32 0.00 -1.74 1.90 2.85 -1.26 -5.10 118.16 111.49 1r8q n LYS 16 Ca 0.01 0.00 -0.42 0.00 -1.05 0.00 0.00 58.31 56.85 1r8q n LYS 16 Cb 0.52 0.00 -0.02 0.00 -0.65 0.00 0.00 35.03 34.89 1r8q n LYS 16 CO 0.00 0.00 0.00 -1.91 -0.05 0.00 0.00 177.40 175.44 1r8q n GLU 17 N -1.42 2.65 -4.51 -1.58 4.07 -1.26 -4.87 120.64 113.72 1r8q n GLU 17 Ca 0.00 0.94 -0.32 0.00 -0.06 0.00 0.00 57.16 57.72 1r8q n GLU 17 Cb 0.00 -2.71 -0.11 0.00 -0.06 0.00 0.00 31.44 28.56 1r8q n GLU 17 CO 0.00 0.00 0.00 -1.64 -0.06 0.00 0.00 177.13 175.43 1r8q s MET 18 N -0.56 2.55 -0.06 5.31 -1.94 -0.69 -5.02 119.30 118.88 1r8q s MET 18 Ca 0.64 -0.71 0.03 0.00 -1.71 0.00 0.00 55.69 53.93 1r8q s MET 18 Cb -0.51 -2.49 0.01 0.00 2.01 0.00 0.00 34.83 33.85 1r8q s MET 18 CO 0.49 0.61 -0.14 1.03 -0.01 0.00 0.00 175.02 177.00 1r8q s ARG 19 N -1.31 1.83 -0.07 2.03 0.52 -1.26 -1.45 118.95 119.25 1r8q s ARG 19 Ca 0.16 -0.49 0.04 0.00 -0.52 0.00 0.00 55.73 54.92 1r8q s ARG 19 Cb -0.11 -1.51 -0.00 0.00 0.52 0.00 0.00 34.95 33.85 1r8q s ARG 19 CO 0.06 0.08 -0.21 0.42 0.02 0.00 0.00 175.30 175.67 1r8q s ILE 20 N 0.51 1.79 0.01 1.52 -1.09 -0.41 -1.26 121.20 122.28 1r8q s ILE 20 Ca -0.13 -0.89 0.02 0.00 -2.23 0.00 0.00 60.65 57.42 1r8q s ILE 20 Cb -0.15 -1.54 -0.04 0.00 -1.58 0.00 0.00 42.46 39.15 1r8q s ILE 20 CO 0.04 0.50 0.01 -0.76 -1.23 0.00 0.00 174.94 173.50 1r8q s LEU 21 N 0.17 3.54 -0.15 2.97 1.43 -0.36 -1.63 118.68 124.65 1r8q s LEU 21 Ca -0.11 -0.02 0.01 0.00 -1.03 0.00 0.00 54.13 52.99 1r8q s LEU 21 Cb -0.15 -2.07 0.00 0.00 0.03 0.00 0.00 46.19 44.00 1r8q s LEU 21 CO 0.05 0.26 -0.18 -0.32 0.23 0.00 0.00 176.35 176.40 1r8q s MET 22 N -1.69 3.14 0.08 1.70 -2.45 0.74 -0.31 119.30 120.52 1r8q s MET 22 Ca 0.21 -0.79 0.04 0.00 -1.25 0.00 0.00 55.69 53.90 1r8q s MET 22 Cb -0.12 -2.57 -0.03 0.00 1.25 0.00 0.00 34.83 33.37 1r8q s MET 22 CO 0.12 -0.01 -0.10 0.08 1.05 0.00 0.00 175.02 176.16 1r8q s VAL 23 N 0.85 0.90 0.00 10.11 1.01 0.14 -0.32 120.40 133.10 1r8q s VAL 23 Ca -0.05 -1.51 0.00 0.00 0.00 0.00 0.00 61.98 60.42 1r8q s VAL 23 Cb -0.15 -1.21 0.00 0.00 0.00 0.00 0.00 36.38 35.02 1r8q s VAL 23 CO -0.01 -0.49 0.00 0.61 0.00 0.00 0.00 175.10 175.21 1r8q n GLY 24 N 0.79 1.80 3.68 4.51 0.00 -1.26 -0.78 105.19 113.93 1r8q n GLY 24 Ca -0.18 -0.71 -0.31 0.00 0.00 0.00 0.00 46.02 44.83 1r8q n GLY 24 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1r8q s LEU 25 N 0.00 2.65 0.26 0.99 1.43 -1.26 -4.78 118.68 117.96 1r8q s LEU 25 Ca 0.00 2.00 -0.29 0.00 -1.03 0.00 0.00 54.13 54.81 1r8q s LEU 25 Cb 0.00 -4.40 -0.14 0.00 0.03 0.00 0.00 46.19 41.67 1r8q s LEU 25 CO 0.00 -2.96 1.09 0.47 0.23 0.00 0.00 176.35 175.18 1r8q n ASP 26 N -4.13 1.49 0.00 2.29 8.00 -1.26 -2.14 116.55 120.80 1r8q n ASP 26 Ca 0.10 1.17 0.00 0.00 0.71 0.00 0.00 54.79 56.77 1r8q n ASP 26 Cb 0.53 -1.29 0.00 0.00 -0.02 0.00 0.00 41.12 40.34 1r8q n ASP 26 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1r8q n ALA 27 N 0.69 0.00 0.16 2.24 0.00 -1.26 -4.92 120.51 117.43 1r8q n ALA 27 Ca 0.11 0.00 0.02 0.00 0.00 0.00 0.00 53.44 53.57 1r8q n ALA 27 Cb 0.30 -0.30 0.26 0.00 0.00 0.00 0.00 19.45 19.71 1r8q n ALA 27 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1r8q h ALA 28 N 0.00 1.00 0.00 0.00 0.00 -1.76 -3.45 119.26 115.05 1r8q h ALA 28 Ca 0.00 -0.45 0.00 0.00 0.00 0.00 0.00 54.91 54.46 1r8q h ALA 28 Cb 0.15 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 17.86 1r8q h ALA 28 CO 0.00 0.61 0.00 0.41 0.00 0.00 0.00 179.25 180.27 1r8q n GLY 29 N 0.21 1.03 0.08 0.00 0.00 -1.26 -4.14 105.19 101.11 1r8q n GLY 29 Ca -0.01 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 45.89 1r8q n GLY 29 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1r8q h LYS 30 N 0.00 -0.09 -1.00 1.61 1.57 -1.90 -1.47 116.57 115.29 1r8q h LYS 30 Ca 0.00 0.01 0.04 0.00 -1.87 0.00 0.00 60.65 58.83 1r8q h LYS 30 Cb 0.00 0.02 -0.06 0.00 0.08 0.00 0.00 32.23 32.27 1r8q h LYS 30 CO 0.00 0.07 0.65 1.15 -0.57 0.00 0.00 179.45 180.75 1r8q h THR 31 N -0.24 1.17 -0.45 -0.16 2.02 -1.99 -1.86 112.91 111.39 1r8q h THR 31 Ca -0.01 -0.43 -0.02 0.00 0.77 0.00 0.00 66.41 66.72 1r8q h THR 31 Cb 0.21 -0.20 -0.02 0.00 -1.74 0.00 0.00 68.15 66.40 1r8q h THR 31 CO 0.02 0.23 0.20 0.74 0.37 0.00 0.00 175.52 177.08 1r8q h THR 32 N 1.25 1.19 -0.45 3.16 2.02 -1.91 -1.46 112.91 116.72 1r8q h THR 32 Ca 0.40 -0.56 0.02 0.00 0.77 0.00 0.00 66.41 67.04 1r8q h THR 32 Cb 0.01 0.73 -0.03 0.00 -1.74 0.00 0.00 68.15 67.12 1r8q h THR 32 CO -0.13 0.21 0.26 0.40 0.37 0.00 0.00 175.52 176.63 1r8q h ILE 33 N 0.58 1.04 -0.38 3.11 2.04 -0.83 -2.35 117.51 120.72 1r8q h ILE 33 Ca 0.15 -0.18 -0.02 0.00 1.00 0.00 0.00 64.86 65.81 1r8q h ILE 33 Cb 0.15 0.47 -0.02 0.00 -0.74 0.00 0.00 36.82 36.67 1r8q h ILE 33 CO -0.02 0.10 0.13 -0.07 0.00 0.00 0.00 178.15 178.29 1r8q h LEU 34 N 0.52 0.49 -1.07 1.44 3.38 -0.88 -0.48 115.31 118.72 1r8q h LEU 34 Ca 0.18 -0.05 -0.01 0.00 0.09 0.00 0.00 57.88 58.09 1r8q h LEU 34 Cb 0.02 -0.12 -0.04 0.00 0.09 0.00 0.00 40.66 40.61 1r8q h LEU 34 CO -0.09 0.46 0.47 1.88 0.09 0.00 0.00 178.44 181.25 1r8q h TYR 35 N 0.53 1.09 -0.39 1.13 0.05 -0.77 -1.19 116.97 117.42 1r8q h TYR 35 Ca 0.13 -0.01 -0.15 0.00 0.05 0.00 0.00 58.73 58.75 1r8q h TYR 35 Cb 0.14 -0.35 -0.01 0.00 1.01 0.00 0.00 36.73 37.52 1r8q h TYR 35 CO 0.01 0.74 -0.36 0.87 -1.05 0.00 0.00 178.16 178.37 1r8q h LYS 36 N 1.13 0.91 0.00 4.88 1.79 -0.89 -0.92 116.57 123.47 1r8q h LYS 36 Ca 0.29 -0.46 -0.03 0.00 -2.18 0.00 0.00 60.65 58.27 1r8q h LYS 36 Cb -0.01 0.01 -0.00 0.00 -1.58 0.00 0.00 32.23 30.64 1r8q h LYS 36 CO -0.05 1.12 -0.14 -0.07 -1.08 0.00 0.00 179.45 179.23 1r8q h LEU 37 N 0.75 0.00 -1.27 2.94 3.38 -0.38 -1.85 115.31 118.89 1r8q h LEU 37 Ca 0.07 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.04 1r8q h LEU 37 Cb 0.94 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.69 1r8q h LEU 37 CO 0.09 0.14 -0.03 0.29 0.09 0.00 0.00 178.44 179.02 1r8q n LYS 38 N -3.30 1.84 -2.32 1.13 5.02 -0.52 -4.92 118.16 115.08 1r8q n LYS 38 Ca 0.00 -1.27 -0.20 0.00 -2.02 0.00 0.00 58.31 54.82 1r8q n LYS 38 Cb 0.37 -1.47 -0.02 0.00 -0.02 0.00 0.00 35.03 33.89 1r8q n LYS 38 CO 0.00 0.00 0.00 1.28 -0.52 0.00 0.00 177.40 178.16 1r8q n LEU 39 N 0.52 -1.89 0.00 -0.35 4.77 -0.70 -2.85 117.00 116.51 1r8q n LEU 39 Ca 0.17 0.02 0.00 0.00 -0.03 0.00 0.00 56.01 56.17 1r8q n LEU 39 Cb 0.44 -2.86 0.00 0.00 -2.33 0.00 0.00 43.42 38.67 1r8q n LEU 39 CO 0.17 -0.28 0.00 0.61 -1.33 0.00 0.00 177.39 176.56 1r8q n GLY 40 N -0.97 0.62 3.69 -0.72 0.00 -0.41 -5.01 105.19 102.39 1r8q n GLY 40 Ca -0.24 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.36 1r8q n GLY 40 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1r8q s GLU 41 N -0.05 4.45 0.13 1.61 2.12 -1.13 -5.04 118.70 120.80 1r8q s GLU 41 Ca 0.00 1.38 0.05 0.00 0.36 0.00 0.00 54.97 56.76 1r8q s GLU 41 Cb 0.00 -3.52 -0.04 0.00 0.26 0.00 0.00 34.13 30.83 1r8q s GLU 41 CO 0.00 -0.26 0.09 0.96 -0.54 0.00 0.00 175.26 175.51 1r8q s ILE 42 N 1.79 4.34 0.07 -3.70 -4.36 -1.26 -5.02 121.20 113.06 1r8q s ILE 42 Ca 0.49 -1.03 0.05 0.00 -0.26 0.00 0.00 60.65 59.89 1r8q s ILE 42 Cb -0.19 -3.16 -0.03 0.00 1.25 0.00 0.00 42.46 40.33 1r8q s ILE 42 CO 0.20 -0.02 -0.13 0.68 0.24 0.00 0.00 174.94 175.91 1r8q s VAL 43 N -1.60 1.05 -0.31 8.37 -7.23 -1.26 -5.11 120.40 114.31 1r8q s VAL 43 Ca 0.29 -1.33 -0.25 0.00 -1.81 0.00 0.00 61.98 58.88 1r8q s VAL 43 Cb -0.11 -1.07 0.01 0.00 0.56 0.00 0.00 36.38 35.77 1r8q s VAL 43 CO 0.22 -0.28 0.89 -0.89 -0.31 0.00 0.00 175.10 174.73 1r8q s THR 44 N -1.42 4.70 -0.14 5.32 2.01 -1.26 -5.03 115.64 119.81 1r8q s THR 44 Ca -0.02 1.38 -0.06 0.00 0.31 0.00 0.00 61.69 63.30 1r8q s THR 44 Cb -0.09 -4.24 -0.04 0.00 0.01 0.00 0.00 72.50 68.14 1r8q s THR 44 CO 0.02 -0.32 0.07 -0.89 -0.69 0.00 0.00 174.62 172.81 1r8q s THR 45 N 3.18 4.89 0.20 -0.82 2.01 -1.26 -5.09 115.64 118.76 1r8q s THR 45 Ca 0.37 -0.01 -0.32 0.00 0.31 0.00 0.00 61.69 62.03 1r8q s THR 45 Cb -0.14 -3.15 -0.13 0.00 0.01 0.00 0.00 72.50 69.09 1r8q s THR 45 CO 0.13 0.54 1.52 2.30 -0.69 0.00 0.00 174.62 178.41 1r8q n ILE 46 N 2.80 0.45 -1.97 1.82 -5.35 -1.26 -4.95 119.36 110.91 1r8q n ILE 46 Ca -0.18 -0.11 -0.34 0.00 -0.27 0.00 0.00 62.75 61.85 1r8q n ILE 46 Cb 0.53 -1.56 0.03 0.00 -1.74 0.00 0.00 39.64 36.90 1r8q n ILE 46 CO 0.00 0.00 0.00 -2.84 -1.76 0.00 0.00 176.55 171.95 1r8q s PRO 47 N 0.29 3.05 -0.01 6.28 0.02 -1.26 -5.06 135.00 138.31 1r8q s PRO 47 Ca 0.73 1.45 0.01 0.00 0.02 0.00 0.00 61.00 63.21 1r8q s PRO 47 Cb -0.65 -1.98 0.01 0.00 0.02 0.00 0.00 34.50 31.90 1r8q s PRO 47 CO 0.43 -1.06 -0.04 0.99 -0.33 0.00 0.00 177.00 177.00 1r8q s THR 48 N -2.15 0.35 -0.02 0.99 2.01 -1.26 -5.13 115.64 110.42 1r8q s THR 48 Ca 0.69 -0.13 -0.30 0.00 0.31 0.00 0.00 61.69 62.25 1r8q s THR 48 Cb -0.21 -0.33 -0.04 0.00 0.01 0.00 0.00 72.50 71.93 1r8q s THR 48 CO 0.36 0.12 1.25 -0.63 -0.69 0.00 0.00 174.62 175.03 1r8q s ILE 49 N 0.23 4.08 -3.40 1.82 -1.09 -1.26 -4.84 121.20 116.74 1r8q s ILE 49 Ca -0.02 1.44 0.00 0.00 -2.23 0.00 0.00 60.65 59.84 1r8q s ILE 49 Cb -0.06 -3.92 0.00 0.00 -1.58 0.00 0.00 42.46 36.90 1r8q s ILE 49 CO -0.00 0.01 0.00 0.61 -1.23 0.00 0.00 174.94 174.33 1r8q n GLY 50 N 3.41 0.64 3.78 6.18 0.00 -1.26 -5.10 105.19 112.84 1r8q n GLY 50 Ca 0.11 -1.52 -0.37 0.00 0.00 0.00 0.00 46.02 44.24 1r8q n GLY 50 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1r8q s PHE 51 N -3.89 3.12 0.20 1.61 0.08 -1.26 -4.97 117.98 112.88 1r8q s PHE 51 Ca 0.00 1.60 -0.30 0.00 0.12 0.00 0.00 56.93 58.34 1r8q s PHE 51 Cb 0.00 -3.25 -0.09 0.00 -0.57 0.00 0.00 43.02 39.11 1r8q s PHE 51 CO 0.00 -1.00 1.42 -0.80 -0.10 0.00 0.00 175.22 174.74 1r8q s ASN 52 N -1.42 6.72 -0.14 1.36 0.01 -1.26 -4.99 114.94 115.23 1r8q s ASN 52 Ca 0.59 2.55 0.02 0.00 -0.71 0.00 0.00 52.86 55.31 1r8q s ASN 52 Cb -0.26 -2.61 0.01 0.00 0.41 0.00 0.00 41.25 38.80 1r8q s ASN 52 CO 0.32 -0.67 -0.20 -0.69 -1.51 0.00 0.00 177.10 174.34 1r8q s VAL 53 N 0.37 2.22 -0.22 1.60 1.01 -1.26 -5.01 120.40 119.11 1r8q s VAL 53 Ca 0.61 -0.93 0.01 0.00 0.00 0.00 0.00 61.98 61.68 1r8q s VAL 53 Cb -0.40 -1.90 0.05 0.00 0.00 0.00 0.00 36.38 34.13 1r8q s VAL 53 CO 0.38 0.54 -0.09 -1.61 0.00 0.00 0.00 175.10 174.33 1r8q s GLU 54 N 0.78 1.91 0.02 2.72 2.02 -1.26 -5.07 118.70 119.83 1r8q s GLU 54 Ca -0.07 -0.96 -0.02 0.00 0.02 0.00 0.00 54.97 53.93 1r8q s GLU 54 Cb -0.16 -2.54 -0.02 0.00 0.10 0.00 0.00 34.13 31.52 1r8q s GLU 54 CO -0.01 -0.51 0.02 0.99 0.02 0.00 0.00 175.26 175.77 1r8q s THR 55 N 1.36 0.12 -0.04 3.63 2.01 -1.26 -1.49 115.64 119.96 1r8q s THR 55 Ca -0.04 -0.98 0.01 0.00 0.31 0.00 0.00 61.69 61.00 1r8q s THR 55 Cb -0.18 -0.49 0.02 0.00 0.01 0.00 0.00 72.50 71.86 1r8q s THR 55 CO -0.07 -0.54 -0.06 0.54 -0.69 0.00 0.00 174.62 173.81 1r8q s VAL 56 N -1.82 0.59 -0.17 3.82 0.11 0.26 -4.99 120.40 118.21 1r8q s VAL 56 Ca -0.12 -0.18 -0.00 0.00 -2.93 0.00 0.00 61.98 58.74 1r8q s VAL 56 Cb -0.07 -0.59 -0.00 0.00 -1.53 0.00 0.00 36.38 34.19 1r8q s VAL 56 CO -0.02 0.23 -0.13 -1.61 -3.33 0.00 0.00 175.10 170.23 1r8q s GLU 57 N 0.71 3.24 0.00 1.54 2.02 -1.26 -0.87 118.70 124.08 1r8q s GLU 57 Ca -0.10 -0.73 0.22 0.00 0.02 0.00 0.00 54.97 54.38 1r8q s GLU 57 Cb -0.13 -2.69 -0.08 0.00 0.10 0.00 0.00 34.13 31.33 1r8q s GLU 57 CO 0.01 -0.02 1.01 0.66 0.02 0.00 0.00 175.26 176.93 1r8q n TYR 58 N 4.19 0.00 -0.57 1.61 4.01 0.14 -4.99 117.16 121.55 1r8q n TYR 58 Ca -0.19 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.55 1r8q n TYR 58 Cb 0.51 0.00 0.00 0.00 -0.31 0.00 0.00 39.34 39.54 1r8q n TYR 58 CO 0.00 0.00 0.00 1.63 -0.46 0.00 0.00 176.86 178.03 1r8q n LYS 59 N -0.49 -0.57 0.00 -0.72 5.02 -1.26 -4.49 118.16 115.66 1r8q n LYS 59 Ca 0.07 0.76 0.00 0.00 -2.02 0.00 0.00 58.31 57.13 1r8q n LYS 59 Cb 0.42 -0.43 0.00 0.00 -0.02 0.00 0.00 35.03 34.99 1r8q n LYS 59 CO 0.00 0.00 0.00 -1.71 -0.52 0.00 0.00 177.40 175.17 1r8q n ASN 60 N 0.08 0.00 -3.76 4.39 2.85 -1.26 -4.98 115.26 112.58 1r8q n ASN 60 Ca 0.00 0.00 -0.13 0.00 -0.11 0.00 0.00 54.58 54.34 1r8q n ASN 60 Cb 0.00 -0.21 -0.11 0.00 1.24 0.00 0.00 39.78 40.70 1r8q n ASN 60 CO 0.00 0.00 0.00 -0.51 -2.11 0.00 0.00 177.26 174.64 1r8q s ILE 61 N -0.32 -0.00 0.06 -1.44 2.07 -1.26 -1.71 121.20 118.60 1r8q s ILE 61 Ca 0.00 0.01 0.07 0.00 -1.41 0.00 0.00 60.65 59.32 1r8q s ILE 61 Cb 0.00 -0.45 -0.03 0.00 0.13 0.00 0.00 42.46 42.11 1r8q s ILE 61 CO 0.00 0.00 -0.20 -0.94 -1.91 0.00 0.00 174.94 171.90 1r8q s SER 62 N 0.26 2.37 -0.13 4.50 1.04 -0.52 0.26 113.70 121.47 1r8q s SER 62 Ca -0.01 -0.57 0.02 0.00 0.48 0.00 0.00 55.95 55.87 1r8q s SER 62 Cb -0.03 -0.17 0.01 0.00 0.10 0.00 0.00 66.02 65.94 1r8q s SER 62 CO -0.00 0.11 -0.17 -0.36 0.98 0.00 0.00 173.24 173.79 1r8q s PHE 63 N -0.93 2.27 -0.06 5.02 0.08 -0.05 -1.29 117.98 123.02 1r8q s PHE 63 Ca 0.06 -1.14 0.02 0.00 0.12 0.00 0.00 56.93 55.99 1r8q s PHE 63 Cb -0.09 -1.60 0.01 0.00 -0.57 0.00 0.00 43.02 40.77 1r8q s PHE 63 CO 0.02 -0.57 -0.11 0.99 -0.10 0.00 0.00 175.22 175.46 1r8q s THR 64 N 1.02 1.03 -0.00 0.64 2.01 -0.65 -0.57 115.64 119.12 1r8q s THR 64 Ca -0.04 -0.42 -0.30 0.00 0.31 0.00 0.00 61.69 61.23 1r8q s THR 64 Cb -0.15 -0.95 -0.05 0.00 0.01 0.00 0.00 72.50 71.36 1r8q s THR 64 CO -0.04 0.33 1.26 -0.69 -0.69 0.00 0.00 174.62 174.80 1r8q s VAL 65 N 0.67 4.00 -0.26 3.82 1.01 -0.56 -0.18 120.40 128.90 1r8q s VAL 65 Ca -0.14 1.39 -0.04 0.00 0.00 0.00 0.00 61.98 63.19 1r8q s VAL 65 Cb -0.15 -3.89 0.01 0.00 0.00 0.00 0.00 36.38 32.35 1r8q s VAL 65 CO 0.03 0.03 0.01 0.86 0.00 0.00 0.00 175.10 176.03 1r8q s TRP 66 N 1.90 3.08 -0.23 5.22 -0.11 0.57 -4.65 118.94 124.70 1r8q s TRP 66 Ca 0.59 -1.14 -0.28 0.00 1.22 0.00 0.00 56.10 56.50 1r8q s TRP 66 Cb -0.28 -2.16 0.01 0.00 -1.50 0.00 0.00 33.47 29.54 1r8q s TRP 66 CO 0.25 -0.61 0.97 0.34 -4.62 0.00 0.00 176.95 173.29 1r8q s ASP 67 N 1.44 7.01 -0.00 5.86 -1.08 -1.26 -4.52 116.67 124.12 1r8q s ASP 67 Ca 0.03 1.27 0.18 0.00 -0.52 0.00 0.00 52.55 53.51 1r8q s ASP 67 Cb -0.16 -2.51 0.52 0.00 -1.46 0.00 0.00 42.92 39.31 1r8q s ASP 67 CO -0.01 -0.62 1.43 1.33 0.52 0.00 0.00 175.17 177.82 1r8q n VAL 68 N 5.30 0.82 -1.15 1.11 0.24 -1.26 -4.97 118.33 118.41 1r8q n VAL 68 Ca 0.10 -0.79 -0.30 0.00 -2.04 0.00 0.00 64.34 61.31 1r8q n VAL 68 Cb 0.46 0.38 0.14 0.00 -1.47 0.00 0.00 33.84 33.35 1r8q n VAL 68 CO 0.00 0.00 0.00 -0.83 -2.14 0.00 0.00 176.83 173.86 1r8q s GLY 69 N -0.99 1.62 0.00 7.63 0.00 -1.26 -4.91 107.32 109.41 1r8q s GLY 69 Ca 0.39 0.01 0.00 0.00 0.00 0.00 0.00 44.72 45.12 1r8q s GLY 69 CO 0.26 0.49 0.00 0.61 0.00 0.00 0.00 173.10 174.46 1r8q n GLY 70 N -0.96 0.49 3.90 0.20 0.00 -1.26 -5.04 105.19 102.52 1r8q n GLY 70 Ca 0.07 -2.15 -0.29 0.00 0.00 0.00 0.00 46.02 43.66 1r8q n GLY 70 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1r8q s GLN 71 N -1.01 2.74 0.50 1.61 -0.21 -1.26 -4.98 119.66 117.05 1r8q s GLN 71 Ca 0.00 0.22 0.29 0.00 0.02 0.00 0.00 55.36 55.89 1r8q s GLN 71 Cb 0.00 -2.11 1.12 0.00 1.00 0.00 0.00 33.01 33.03 1r8q s GLN 71 CO 0.00 -1.00 1.90 -0.44 -2.12 0.00 0.00 175.29 173.63 1r8q h ASP 72 N -0.54 0.00 0.32 5.90 3.45 -1.98 -3.12 116.42 120.45 1r8q h ASP 72 Ca -0.45 0.00 -0.02 0.00 0.43 0.00 0.00 57.03 56.99 1r8q h ASP 72 Cb 1.27 0.00 -0.00 0.00 -0.56 0.00 0.00 39.33 40.03 1r8q h ASP 72 CO 0.63 0.10 -0.08 0.11 -1.57 0.00 0.00 179.24 178.42 1r8q h LYS 73 N 0.00 0.00 -0.00 3.56 1.57 -2.02 -1.48 116.57 118.19 1r8q h LYS 73 Ca -0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 1r8q h LYS 73 Cb 0.64 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.95 1r8q h LYS 73 CO 0.01 0.08 -0.48 0.44 -0.57 0.00 0.00 179.45 178.93 1r8q n ILE 74 N -3.57 0.00 0.20 1.86 -6.64 -1.18 -4.45 119.36 105.59 1r8q n ILE 74 Ca -0.02 -0.02 0.04 0.00 -1.77 0.00 0.00 62.75 60.98 1r8q n ILE 74 Cb 0.20 0.31 0.43 0.00 -1.44 0.00 0.00 39.64 39.14 1r8q n ILE 74 CO 0.00 0.00 0.00 0.03 -1.77 0.00 0.00 176.55 174.81 1r8q h ARG 75 N 0.21 0.00 -0.70 6.28 3.08 -1.44 -1.01 114.38 120.81 1r8q h ARG 75 Ca 0.00 0.00 0.20 0.00 0.07 0.00 0.00 59.98 60.25 1r8q h ARG 75 Cb 0.50 0.00 -0.03 0.00 0.08 0.00 0.00 29.97 30.52 1r8q h ARG 75 CO 0.00 0.30 0.50 -1.35 -1.07 0.00 0.00 179.97 178.35 1r8q h PRO 76 N 0.00 0.00 0.00 0.04 0.11 -1.78 -2.00 132.00 128.37 1r8q h PRO 76 Ca -0.00 -0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.11 1r8q h PRO 76 Cb 0.55 -0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.66 1r8q h PRO 76 CO 0.04 0.00 0.00 -0.07 -0.21 0.00 0.00 178.00 177.76 1r8q h LEU 77 N 0.00 0.00 -0.08 2.35 3.38 -1.49 -2.95 115.31 116.51 1r8q h LEU 77 Ca 0.33 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.30 1r8q h LEU 77 Cb 1.33 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.08 1r8q h LEU 77 CO -0.00 0.00 0.00 -0.50 0.09 0.00 0.00 178.44 178.03 1r8q h TRP 78 N 0.00 0.00 -0.47 1.13 6.55 -1.50 -3.40 115.95 118.26 1r8q h TRP 78 Ca 0.00 0.00 0.04 0.00 0.95 0.00 0.00 58.89 59.88 1r8q h TRP 78 Cb 0.35 0.00 -0.04 0.00 -0.86 0.00 0.00 29.16 28.61 1r8q h TRP 78 CO 0.00 0.00 0.24 0.00 -1.05 0.00 0.00 178.44 177.63 1r8q h ARG 79 N 0.00 0.46 0.00 0.49 3.08 -1.67 -1.96 114.38 114.77 1r8q h ARG 79 Ca 0.00 -0.03 -0.04 0.00 0.07 0.00 0.00 59.98 59.98 1r8q h ARG 79 Cb 0.73 -0.10 -0.01 0.00 0.08 0.00 0.00 29.97 30.67 1r8q h ARG 79 CO 0.00 0.30 -0.20 1.12 -1.07 0.00 0.00 179.97 180.12 1r8q h HIS 80 N 0.47 0.00 0.00 3.04 2.07 -1.85 -1.57 115.15 117.31 1r8q h HIS 80 Ca 0.21 0.00 -0.07 0.00 -2.85 0.00 0.00 60.37 57.65 1r8q h HIS 80 Cb 0.11 0.00 -0.01 0.00 2.57 0.00 0.00 27.41 30.08 1r8q h HIS 80 CO -0.10 0.20 -0.34 1.88 -3.07 0.00 0.00 177.93 176.50 1r8q h TYR 81 N 0.00 0.00 -0.00 6.12 0.05 -1.67 -2.71 116.97 118.76 1r8q h TYR 81 Ca -0.00 0.00 0.00 0.00 0.05 0.00 0.00 58.73 58.78 1r8q h TYR 81 Cb 0.45 0.00 0.00 0.00 1.01 0.00 0.00 36.73 38.19 1r8q h TYR 81 CO 0.00 0.34 -0.17 1.19 -1.05 0.00 0.00 178.16 178.48 1r8q n PHE 82 N -3.39 0.00 -0.22 4.88 3.72 -0.61 -4.10 117.46 117.74 1r8q n PHE 82 Ca 0.01 0.00 -0.08 0.00 -0.05 0.00 0.00 57.45 57.33 1r8q n PHE 82 Cb 0.54 -0.41 0.06 0.00 -0.94 0.00 0.00 39.48 38.72 1r8q n PHE 82 CO 0.00 0.00 0.00 1.96 -0.05 0.00 0.00 176.76 178.67 1r8q h GLN 83 N 0.01 1.07 -2.34 -1.08 4.20 -1.28 -3.25 115.11 112.45 1r8q h GLN 83 Ca 0.00 -0.29 -0.65 0.00 0.06 0.00 0.00 58.65 57.76 1r8q h GLN 83 Cb 0.50 -0.12 -0.38 0.00 0.30 0.00 0.00 27.48 27.77 1r8q h GLN 83 CO 0.00 1.00 -0.20 -1.71 -0.67 0.00 0.00 178.83 177.24 1r8q n ASN 84 N -4.21 4.80 -4.14 1.46 4.05 -1.26 -4.97 115.26 110.99 1r8q n ASN 84 Ca 0.04 -3.54 -0.33 0.00 0.45 0.00 0.00 54.58 51.20 1r8q n ASN 84 Cb 0.30 -0.79 -0.16 0.00 1.23 0.00 0.00 39.78 40.36 1r8q n ASN 84 CO 0.00 0.00 0.00 -0.89 -3.05 0.00 0.00 177.26 173.32 1r8q s THR 85 N -3.30 2.16 -0.29 -0.44 2.01 -1.22 -4.30 115.64 110.26 1r8q s THR 85 Ca 0.41 -0.91 0.22 0.00 0.31 0.00 0.00 61.69 61.72 1r8q s THR 85 Cb 0.17 -1.90 -0.12 0.00 0.01 0.00 0.00 72.50 70.66 1r8q s THR 85 CO -0.04 0.53 0.90 0.00 -0.69 0.00 0.00 174.62 175.32 1r8q n GLN 86 N 4.52 0.53 -3.67 4.92 3.00 -0.38 -4.44 117.38 121.86 1r8q n GLN 86 Ca -0.21 0.00 -0.14 0.00 -0.01 0.00 0.00 57.00 56.65 1r8q n GLN 86 Cb 0.50 -1.68 -0.07 0.00 0.00 0.00 0.00 30.24 28.99 1r8q n GLN 86 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.06 177.26 1r8q s GLY 87 N -4.20 -0.30 -0.08 1.08 0.00 -1.20 -1.26 107.32 101.36 1r8q s GLY 87 Ca -0.01 0.56 0.02 0.00 0.00 0.00 0.00 44.72 45.28 1r8q s GLY 87 CO 0.82 0.29 -0.13 -2.27 0.00 0.00 0.00 173.10 171.82 1r8q s LEU 88 N -1.55 1.64 -0.22 0.66 2.96 -0.06 -1.22 118.68 120.89 1r8q s LEU 88 Ca -0.10 -0.34 -0.07 0.00 -0.22 0.00 0.00 54.13 53.40 1r8q s LEU 88 Cb -0.02 -0.92 -0.03 0.00 0.50 0.00 0.00 46.19 45.71 1r8q s LEU 88 CO 0.03 0.02 0.06 -0.63 -1.32 0.00 0.00 176.35 174.51 1r8q s ILE 89 N 0.84 4.43 -0.21 6.68 1.01 0.58 -1.22 121.20 133.31 1r8q s ILE 89 Ca -0.11 -0.14 -0.04 0.00 0.00 0.00 0.00 60.65 60.36 1r8q s ILE 89 Cb -0.15 -3.03 -0.01 0.00 0.01 0.00 0.00 42.46 39.27 1r8q s ILE 89 CO 0.01 0.39 -0.03 0.12 0.00 0.00 0.00 174.94 175.43 1r8q s PHE 90 N 1.07 2.97 -0.13 3.97 5.36 0.28 -0.68 117.98 130.82 1r8q s PHE 90 Ca 0.04 -0.79 -0.03 0.00 -0.96 0.00 0.00 56.93 55.19 1r8q s PHE 90 Cb -0.14 -2.09 -0.03 0.00 -0.34 0.00 0.00 43.02 40.42 1r8q s PHE 90 CO 0.03 -0.45 -0.03 0.08 -1.46 0.00 0.00 175.22 173.39 1r8q s VAL 91 N 1.32 3.99 -0.01 3.12 1.01 0.04 -1.22 120.40 128.66 1r8q s VAL 91 Ca 0.04 -0.33 0.05 0.00 0.00 0.00 0.00 61.98 61.73 1r8q s VAL 91 Cb -0.14 -2.73 -0.01 0.00 0.00 0.00 0.00 36.38 33.50 1r8q s VAL 91 CO -0.01 0.52 -0.15 0.54 0.00 0.00 0.00 175.10 176.00 1r8q s VAL 92 N 0.00 1.22 -0.67 2.92 0.11 -0.53 -4.23 120.40 119.22 1r8q s VAL 92 Ca 0.01 -0.66 -0.27 0.00 -2.93 0.00 0.00 61.98 58.13 1r8q s VAL 92 Cb -0.13 -1.02 0.02 0.00 -1.53 0.00 0.00 36.38 33.72 1r8q s VAL 92 CO 0.02 0.35 1.34 -0.62 -3.33 0.00 0.00 175.10 172.86 1r8q s ASP 93 N -0.36 6.12 0.01 3.54 -1.08 -1.26 -1.08 116.67 122.57 1r8q s ASP 93 Ca 0.06 -0.18 0.18 0.00 -0.52 0.00 0.00 52.55 52.10 1r8q s ASP 93 Cb -0.06 -2.55 0.79 0.00 -1.46 0.00 0.00 42.92 39.63 1r8q s ASP 93 CO -0.01 -1.81 1.59 -1.20 0.52 0.00 0.00 175.17 174.27 1r8q n SER 94 N 9.55 0.02 0.03 -0.34 7.64 -0.52 -1.81 113.62 128.19 1r8q n SER 94 Ca 0.07 0.50 0.12 0.00 1.01 0.00 0.00 58.87 60.57 1r8q n SER 94 Cb 0.49 -0.51 0.23 0.00 -1.01 0.00 0.00 64.21 63.41 1r8q n SER 94 CO 0.00 0.00 0.00 -3.20 -3.01 0.00 0.00 175.04 168.83 1r8q n ASN 95 N -1.52 0.57 -4.42 6.43 4.05 -1.26 -0.60 115.26 118.51 1r8q n ASN 95 Ca 0.04 -0.02 -0.44 0.00 0.45 0.00 0.00 54.58 54.61 1r8q n ASN 95 Cb 0.22 0.18 -0.00 0.00 1.23 0.00 0.00 39.78 41.40 1r8q n ASN 95 CO 0.00 0.00 0.00 -0.62 -3.05 0.00 0.00 177.26 173.59 1r8q s ASP 96 N -3.63 7.08 0.38 1.20 -1.08 -0.75 -4.79 116.67 115.08 1r8q s ASP 96 Ca 0.09 -3.04 0.16 0.00 -0.52 0.00 0.00 52.55 49.24 1r8q s ASP 96 Cb 0.15 -2.34 0.77 0.00 -1.46 0.00 0.00 42.92 40.05 1r8q s ASP 96 CO 0.70 -0.64 1.81 0.03 0.52 0.00 0.00 175.17 177.59 1r8q h ARG 97 N 7.24 0.00 0.00 4.34 3.08 -1.84 -2.76 114.38 124.45 1r8q h ARG 97 Ca 0.25 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.30 1r8q h ARG 97 Cb 0.90 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.95 1r8q h ARG 97 CO 1.13 0.36 0.00 0.93 -1.07 0.00 0.00 179.97 181.33 1r8q h GLU 98 N 0.00 0.00 -0.16 0.04 3.07 -1.98 -3.19 114.58 112.36 1r8q h GLU 98 Ca -0.00 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 58.86 1r8q h GLU 98 Cb 0.73 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.64 1r8q h GLU 98 CO 0.05 0.00 0.00 0.54 -1.40 0.00 0.00 179.01 178.20 1r8q n ARG 99 N -2.97 2.17 0.01 2.33 1.74 -1.06 -4.68 116.66 114.20 1r8q n ARG 99 Ca 0.02 -1.61 0.00 0.00 -0.77 0.00 0.00 57.85 55.49 1r8q n ARG 99 Cb 0.37 -1.16 0.31 0.00 -1.02 0.00 0.00 32.46 30.96 1r8q n ARG 99 CO 0.00 0.00 0.00 -0.24 -1.52 0.00 0.00 177.63 175.87 1r8q h VAL 100 N 1.30 1.19 -0.22 1.55 3.04 -1.49 -0.87 116.25 120.74 1r8q h VAL 100 Ca 0.00 -0.76 -0.13 0.00 -1.01 0.00 0.00 66.70 64.80 1r8q h VAL 100 Cb 0.56 0.96 -0.01 0.00 -2.01 0.00 0.00 31.29 30.79 1r8q h VAL 100 CO 0.00 0.26 -0.41 -1.13 -1.01 0.00 0.00 177.57 175.28 1r8q h ASN 101 N 0.47 0.56 -0.77 3.17 -0.73 -1.83 -0.33 115.58 116.11 1r8q h ASN 101 Ca 0.10 -0.25 -0.03 0.00 1.87 0.00 0.00 56.30 57.99 1r8q h ASN 101 Cb 0.32 -0.16 -0.04 0.00 0.27 0.00 0.00 38.32 38.72 1r8q h ASN 101 CO 0.01 0.90 0.36 -0.08 -0.37 0.00 0.00 177.43 178.25 1r8q h GLU 102 N 0.43 1.13 -0.28 6.67 4.81 -1.68 -0.71 114.58 124.95 1r8q h GLU 102 Ca 0.04 -0.17 -0.03 0.00 -0.13 0.00 0.00 59.36 59.07 1r8q h GLU 102 Cb 0.90 -0.20 -0.01 0.00 0.63 0.00 0.00 28.75 30.07 1r8q h GLU 102 CO 0.08 0.88 0.07 0.00 -0.73 0.00 0.00 179.01 179.31 1r8q h ALA 103 N 1.28 0.37 -0.67 2.92 0.00 -0.91 -1.82 119.26 120.42 1r8q h ALA 103 Ca 0.27 -0.16 0.08 0.00 0.00 0.00 0.00 54.91 55.10 1r8q h ALA 103 Cb 0.13 -0.11 -0.07 0.00 0.00 0.00 0.00 17.79 17.75 1r8q h ALA 103 CO -0.03 0.02 0.33 -0.09 0.00 0.00 0.00 179.25 179.48 1r8q h ARG 104 N 0.29 0.55 -0.53 0.00 2.43 -0.50 -0.84 114.38 115.78 1r8q h ARG 104 Ca 0.09 -0.03 -0.07 0.00 -0.81 0.00 0.00 59.98 59.15 1r8q h ARG 104 Cb 0.28 -0.12 -0.02 0.00 -0.42 0.00 0.00 29.97 29.68 1r8q h ARG 104 CO 0.00 0.37 0.03 0.93 -1.51 0.00 0.00 179.97 179.79 1r8q h GLU 105 N 0.57 0.87 -0.21 0.20 5.08 -0.95 -0.43 114.58 119.71 1r8q h GLU 105 Ca 0.32 -0.23 -0.01 0.00 -1.00 0.00 0.00 59.36 58.45 1r8q h GLU 105 Cb 0.32 -0.10 -0.01 0.00 0.50 0.00 0.00 28.75 29.46 1r8q h GLU 105 CO -0.25 0.84 0.09 1.49 -1.00 0.00 0.00 179.01 180.19 1r8q h GLU 106 N 0.81 0.31 -0.31 2.33 4.57 -0.86 -1.66 114.58 119.77 1r8q h GLU 106 Ca 0.16 -0.05 0.06 0.00 -1.18 0.00 0.00 59.36 58.34 1r8q h GLU 106 Cb 0.44 -0.05 -0.05 0.00 -0.16 0.00 0.00 28.75 28.92 1r8q h GLU 106 CO 0.02 0.35 -0.01 1.25 -1.18 0.00 0.00 179.01 179.44 1r8q h LEU 107 N 0.20 -0.14 -1.29 1.64 5.85 -1.02 -1.69 115.31 118.86 1r8q h LEU 107 Ca 0.07 0.07 -0.04 0.00 0.84 0.00 0.00 57.88 58.82 1r8q h LEU 107 Cb 0.15 0.13 -0.02 0.00 0.37 0.00 0.00 40.66 41.29 1r8q h LEU 107 CO -0.01 -0.04 0.02 0.24 -0.34 0.00 0.00 178.44 178.31 1r8q h MET 108 N 0.08 0.50 -0.37 1.25 2.86 -0.88 -0.80 114.93 117.57 1r8q h MET 108 Ca 0.15 -0.10 -0.16 0.00 -2.06 0.00 0.00 59.70 57.53 1r8q h MET 108 Cb 0.20 -0.08 -0.01 0.00 0.06 0.00 0.00 31.60 31.78 1r8q h MET 108 CO -0.26 0.51 -0.40 0.00 1.06 0.00 0.00 176.91 177.82 1r8q h ARG 109 N 0.48 0.91 -0.71 1.72 3.08 -1.08 -1.87 114.38 116.91 1r8q h ARG 109 Ca 0.11 -0.48 -0.01 0.00 0.07 0.00 0.00 59.98 59.66 1r8q h ARG 109 Cb 0.29 0.02 -0.03 0.00 0.08 0.00 0.00 29.97 30.32 1r8q h ARG 109 CO 0.01 1.13 0.40 0.52 -1.07 0.00 0.00 179.97 180.96 1r8q h MET 110 N 0.74 0.98 0.00 0.04 2.86 -0.92 -2.76 114.93 115.87 1r8q h MET 110 Ca 0.06 -0.11 0.00 0.00 -2.06 0.00 0.00 59.70 57.59 1r8q h MET 110 Cb 0.99 -0.20 0.00 0.00 0.06 0.00 0.00 31.60 32.45 1r8q h MET 110 CO 0.10 0.73 0.00 1.28 1.06 0.00 0.00 176.91 180.07 1r8q n LEU 111 N -4.50 0.68 -0.18 1.22 4.77 -0.34 -1.43 117.00 117.22 1r8q n LEU 111 Ca 0.06 0.62 0.14 0.00 -0.03 0.00 0.00 56.01 56.80 1r8q n LEU 111 Cb 0.08 -0.47 0.55 0.00 -2.33 0.00 0.00 43.42 41.25 1r8q n LEU 111 CO 0.37 -0.38 0.82 0.00 -1.33 0.00 0.00 177.39 176.87 1r8q n ALA 112 N -1.76 2.82 -1.71 -1.18 0.00 -0.72 -4.84 120.51 113.13 1r8q n ALA 112 Ca 0.04 -0.32 -0.42 0.00 0.00 0.00 0.00 53.44 52.73 1r8q n ALA 112 Cb 0.31 -1.27 -0.03 0.00 0.00 0.00 0.00 19.45 18.46 1r8q n ALA 112 CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 177.50 176.29 1r8q s GLU 113 N -2.41 3.82 0.39 0.00 0.41 -0.51 -4.81 118.70 115.59 1r8q s GLU 113 Ca 0.29 2.33 0.18 0.00 -0.41 0.00 0.00 54.97 57.36 1r8q s GLU 113 Cb 0.20 -4.20 1.08 0.00 -1.78 0.00 0.00 34.13 29.43 1r8q s GLU 113 CO 0.47 -1.31 1.78 0.22 -0.49 0.00 0.00 175.26 175.92 1r8q h ASP 114 N 11.84 0.46 0.88 -0.19 3.58 -1.89 -1.81 116.42 129.29 1r8q h ASP 114 Ca -0.45 0.08 -0.00 0.00 0.42 0.00 0.00 57.03 57.08 1r8q h ASP 114 Cb 1.23 0.01 -0.00 0.00 1.72 0.00 0.00 39.33 42.28 1r8q h ASP 114 CO 0.95 0.10 -0.02 -0.33 -2.88 0.00 0.00 179.24 177.06 1r8q h GLU 115 N 0.41 0.00 -0.64 0.28 3.07 -1.89 -2.08 114.58 113.74 1r8q h GLU 115 Ca 0.59 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 59.45 1r8q h GLU 115 Cb 1.46 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 29.37 1r8q h GLU 115 CO -0.29 0.02 0.00 1.28 -1.40 0.00 0.00 179.01 178.61 1r8q n LEU 116 N -3.13 4.03 -0.21 1.33 4.77 -0.68 -4.63 117.00 118.47 1r8q n LEU 116 Ca 0.00 -2.03 0.16 0.00 -0.03 0.00 0.00 56.01 54.11 1r8q n LEU 116 Cb 0.28 -0.52 0.47 0.00 -2.33 0.00 0.00 43.42 41.33 1r8q n LEU 116 CO 0.27 0.74 1.22 0.08 -1.33 0.00 0.00 177.39 178.36 1r8q h ARG 117 N 3.57 0.47 -0.10 3.23 0.11 -1.42 -2.01 114.38 118.24 1r8q h ARG 117 Ca 0.00 -0.03 0.00 0.00 0.10 0.00 0.00 59.98 60.05 1r8q h ARG 117 Cb 1.21 -0.11 0.00 0.00 1.11 0.00 0.00 29.97 32.18 1r8q h ARG 117 CO 0.17 0.31 0.00 -0.25 0.10 0.00 0.00 179.97 180.30 1r8q n ASP 118 N -4.51 2.81 -4.77 0.08 8.00 -1.26 -4.94 116.55 111.95 1r8q n ASP 118 Ca 0.16 -1.86 -0.37 0.00 0.71 0.00 0.00 54.79 53.43 1r8q n ASP 118 Cb 0.56 -0.05 -0.02 0.00 -0.02 0.00 0.00 41.12 41.59 1r8q n ASP 118 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1r8q s ALA 119 N -1.61 3.02 0.46 2.24 0.00 -0.76 -4.92 121.76 120.19 1r8q s ALA 119 Ca 0.26 0.91 -0.11 0.00 0.00 0.00 0.00 51.96 53.01 1r8q s ALA 119 Cb 0.18 -3.37 -0.06 0.00 0.00 0.00 0.00 23.12 19.87 1r8q s ALA 119 CO 0.26 -0.57 0.84 0.14 0.00 0.00 0.00 175.76 176.43 1r8q s VAL 120 N -1.54 4.74 -0.14 0.00 -7.23 -0.39 -4.68 120.40 111.17 1r8q s VAL 120 Ca 0.61 0.71 0.02 0.00 -1.81 0.00 0.00 61.98 61.52 1r8q s VAL 120 Cb -0.28 -3.76 0.01 0.00 0.56 0.00 0.00 36.38 32.91 1r8q s VAL 120 CO 0.34 -0.66 -0.22 -0.22 -0.31 0.00 0.00 175.10 174.04 1r8q s LEU 121 N -4.15 2.13 -0.19 1.32 2.96 -0.33 -0.88 118.68 119.54 1r8q s LEU 121 Ca 0.53 -0.60 -0.01 0.00 -0.22 0.00 0.00 54.13 53.83 1r8q s LEU 121 Cb -0.10 -1.45 0.01 0.00 0.50 0.00 0.00 46.19 45.14 1r8q s LEU 121 CO 0.35 0.08 -0.13 -0.22 -1.32 0.00 0.00 176.35 175.11 1r8q s LEU 122 N 0.82 2.47 -0.23 -0.68 2.96 -0.36 -1.15 118.68 122.52 1r8q s LEU 122 Ca -0.07 -0.52 -0.10 0.00 -0.22 0.00 0.00 54.13 53.22 1r8q s LEU 122 Cb -0.15 -1.59 -0.05 0.00 0.50 0.00 0.00 46.19 44.90 1r8q s LEU 122 CO -0.02 0.01 0.14 -0.69 -1.32 0.00 0.00 176.35 174.47 1r8q s VAL 123 N 1.28 5.23 -0.32 1.68 1.01 0.30 -0.56 120.40 129.03 1r8q s VAL 123 Ca 0.04 0.13 -0.13 0.00 0.00 0.00 0.00 61.98 62.02 1r8q s VAL 123 Cb -0.14 -3.43 -0.03 0.00 0.00 0.00 0.00 36.38 32.79 1r8q s VAL 123 CO -0.07 0.37 0.24 -0.36 0.00 0.00 0.00 175.10 175.28 1r8q s PHE 124 N 0.95 3.22 -0.83 5.22 0.08 -0.36 -0.39 117.98 125.87 1r8q s PHE 124 Ca 0.07 -0.06 -0.19 0.00 0.12 0.00 0.00 56.93 56.88 1r8q s PHE 124 Cb -0.13 -2.47 0.13 0.00 -0.57 0.00 0.00 43.02 39.98 1r8q s PHE 124 CO 0.03 -0.30 0.99 0.00 -0.10 0.00 0.00 175.22 175.85 1r8q s ALA 125 N 1.78 3.44 0.48 5.36 0.00 -0.22 -1.45 121.76 131.15 1r8q s ALA 125 Ca 0.07 -2.65 0.01 0.00 0.00 0.00 0.00 51.96 49.40 1r8q s ALA 125 Cb -0.17 -3.87 0.01 0.00 0.00 0.00 0.00 23.12 19.08 1r8q s ALA 125 CO 0.11 -2.77 0.70 1.21 0.00 0.00 0.00 175.76 175.01 1r8q s ASN 126 N 3.43 5.67 -0.53 0.00 2.47 -0.24 -1.50 114.94 124.24 1r8q s ASN 126 Ca 0.26 0.18 -0.01 0.00 0.42 0.00 0.00 52.86 53.71 1r8q s ASN 126 Cb -0.10 -1.32 0.00 0.00 -1.45 0.00 0.00 41.25 38.38 1r8q s ASN 126 CO -0.05 -0.83 0.08 0.29 -3.72 0.00 0.00 177.10 172.87 1r8q n LYS 127 N -2.15 -0.92 0.23 0.43 5.02 -0.82 -1.44 118.16 118.51 1r8q n LYS 127 Ca 0.03 0.31 0.16 0.00 -2.02 0.00 0.00 58.31 56.79 1r8q n LYS 127 Cb 0.58 -4.05 0.79 0.00 -0.02 0.00 0.00 35.03 32.33 1r8q n LYS 127 CO 0.00 0.00 0.00 1.96 -0.52 0.00 0.00 177.40 178.84 1r8q h GLN 128 N -0.17 0.00 0.00 1.97 1.08 -1.60 -2.36 115.11 114.03 1r8q h GLN 128 Ca -0.16 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.04 1r8q h GLN 128 Cb 1.12 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 28.55 1r8q h GLN 128 CO 0.18 0.00 0.00 0.38 -0.95 0.00 0.00 178.83 178.44 1r8q h ASP 129 N 0.00 0.00 -3.66 1.46 2.03 -1.92 -3.45 116.42 110.89 1r8q h ASP 129 Ca 0.00 0.00 -0.50 0.00 -0.73 0.00 0.00 57.03 55.80 1r8q h ASP 129 Cb 0.14 0.00 -0.02 0.00 -0.83 0.00 0.00 39.33 38.62 1r8q h ASP 129 CO 0.00 0.00 0.35 -0.76 -1.03 0.00 0.00 179.24 177.80 1r8q s LEU 130 N -4.86 4.57 0.51 0.15 1.43 -0.89 -4.94 118.68 114.65 1r8q s LEU 130 Ca 0.03 1.87 0.24 0.00 -1.03 0.00 0.00 54.13 55.25 1r8q s LEU 130 Cb 0.09 -3.60 1.39 0.00 0.03 0.00 0.00 46.19 44.11 1r8q s LEU 130 CO 0.42 0.05 2.08 1.55 0.23 0.00 0.00 176.35 180.68 1r8q h PRO 131 N 4.86 0.00 -0.37 1.29 0.13 -1.90 -2.32 132.00 133.70 1r8q h PRO 131 Ca -0.44 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.69 1r8q h PRO 131 Cb 1.21 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.34 1r8q h PRO 131 CO 0.70 0.12 0.00 0.09 -0.23 0.00 0.00 178.00 178.68 1r8q n ASN 132 N -3.85 4.08 -4.76 1.44 4.13 -1.26 -5.02 115.26 110.02 1r8q n ASN 132 Ca -0.02 -2.76 -0.41 0.00 1.68 0.00 0.00 54.58 53.07 1r8q n ASN 132 Cb 0.22 -0.51 0.01 0.00 -1.54 0.00 0.00 39.78 37.95 1r8q n ASN 132 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 1r8q n ALA 133 N 0.02 2.12 -1.97 5.41 0.00 -0.88 -4.83 120.51 120.40 1r8q n ALA 133 Ca 0.21 0.31 -0.41 0.00 0.00 0.00 0.00 53.44 53.54 1r8q n ALA 133 Cb 0.85 -2.39 -0.03 0.00 0.00 0.00 0.00 19.45 17.88 1r8q n ALA 133 CO 0.00 0.00 0.00 -1.64 0.00 0.00 0.00 177.50 175.86 1r8q s MET 134 N -2.21 4.44 0.87 0.00 -1.94 0.23 -4.95 119.30 115.74 1r8q s MET 134 Ca 0.56 2.00 -0.11 0.00 -1.71 0.00 0.00 55.69 56.44 1r8q s MET 134 Cb -0.47 -3.19 0.17 0.00 2.01 0.00 0.00 34.83 33.34 1r8q s MET 134 CO 0.61 -0.16 1.21 0.54 -0.01 0.00 0.00 175.02 177.21 1r8q s ASN 135 N 0.07 3.63 0.20 3.03 2.20 -1.26 -4.77 114.94 118.03 1r8q s ASN 135 Ca 0.54 0.13 -0.10 0.00 -0.94 0.00 0.00 52.86 52.49 1r8q s ASN 135 Cb -0.35 -0.33 0.21 0.00 -2.00 0.00 0.00 41.25 38.78 1r8q s ASN 135 CO 0.40 -2.39 1.81 0.00 -2.94 0.00 0.00 177.10 173.98 1r8q h ALA 136 N -1.25 0.83 -0.87 3.54 0.00 -1.96 0.21 119.26 119.77 1r8q h ALA 136 Ca -0.42 0.01 0.02 0.00 0.00 0.00 0.00 54.91 54.52 1r8q h ALA 136 Cb 1.25 -0.12 -0.05 0.00 0.00 0.00 0.00 17.79 18.88 1r8q h ALA 136 CO 0.41 0.03 0.57 0.00 0.00 0.00 0.00 179.25 180.26 1r8q h ALA 137 N 1.32 1.12 -0.38 0.00 0.00 -1.98 -1.02 119.26 118.31 1r8q h ALA 137 Ca 0.28 -0.05 -0.15 0.00 0.00 0.00 0.00 54.91 54.98 1r8q h ALA 137 Cb 0.16 -0.34 -0.01 0.00 0.00 0.00 0.00 17.79 17.60 1r8q h ALA 137 CO -0.17 0.48 -0.37 0.93 0.00 0.00 0.00 179.25 180.12 1r8q h GLU 138 N 1.16 0.91 -0.56 0.00 5.08 -1.72 -2.98 114.58 116.47 1r8q h GLU 138 Ca 0.33 -0.47 -0.05 0.00 -1.00 0.00 0.00 59.36 58.16 1r8q h GLU 138 Cb -0.10 0.01 -0.03 0.00 0.50 0.00 0.00 28.75 29.14 1r8q h GLU 138 CO -0.08 1.12 0.13 0.82 -1.00 0.00 0.00 179.01 180.00 1r8q h ILE 139 N 0.75 1.23 -0.90 3.13 1.08 -0.75 -1.94 117.51 120.10 1r8q h ILE 139 Ca 0.07 -0.84 0.03 0.00 -0.39 0.00 0.00 64.86 63.73 1r8q h ILE 139 Cb 0.95 0.66 -0.05 0.00 -3.07 0.00 0.00 36.82 35.31 1r8q h ILE 139 CO 0.09 0.31 0.59 0.74 -0.69 0.00 0.00 178.15 179.19 1r8q h THR 140 N 0.83 1.16 -0.06 -0.27 2.02 -1.04 -0.06 112.91 115.49 1r8q h THR 140 Ca 0.18 -0.39 -0.02 0.00 0.77 0.00 0.00 66.41 66.94 1r8q h THR 140 Cb 0.31 -0.09 -0.00 0.00 -1.74 0.00 0.00 68.15 66.63 1r8q h THR 140 CO -0.00 0.21 -0.05 0.44 0.37 0.00 0.00 175.52 176.48 1r8q h ASP 141 N 1.15 0.15 0.46 4.18 3.32 -1.32 -1.92 116.42 122.44 1r8q h ASP 141 Ca 0.36 -0.48 -0.04 0.00 0.02 0.00 0.00 57.03 56.89 1r8q h ASP 141 Cb -0.02 -0.04 -0.01 0.00 0.22 0.00 0.00 39.33 39.49 1r8q h ASP 141 CO -0.11 0.60 -0.19 0.11 -1.72 0.00 0.00 179.24 177.93 1r8q h LYS 142 N -0.30 0.00 -0.00 3.56 1.79 -0.81 -1.97 116.57 118.84 1r8q h LYS 142 Ca 0.01 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.48 1r8q h LYS 142 Cb 0.55 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.20 1r8q h LYS 142 CO 0.01 0.19 -0.46 1.28 -1.08 0.00 0.00 179.45 179.39 1r8q n LEU 143 N -3.71 0.57 -1.35 2.94 4.77 -0.08 -4.80 117.00 115.33 1r8q n LEU 143 Ca -0.01 -0.03 -0.11 0.00 -0.03 0.00 0.00 56.01 55.83 1r8q n LEU 143 Cb 0.30 -0.23 0.00 0.00 -2.33 0.00 0.00 43.42 41.16 1r8q n LEU 143 CO 0.32 0.13 -0.08 0.61 -1.33 0.00 0.00 177.39 177.04 1r8q n GLY 144 N 1.48 -0.01 0.20 -0.72 0.00 -0.74 -4.91 105.19 100.50 1r8q n GLY 144 Ca 0.06 -0.40 0.01 0.00 0.00 0.00 0.00 46.02 45.69 1r8q n GLY 144 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 1r8q h LEU 145 N -0.26 0.14 0.00 0.99 3.38 -1.61 -1.79 115.31 116.15 1r8q h LEU 145 Ca -0.25 -0.05 0.00 0.00 0.09 0.00 0.00 57.88 57.67 1r8q h LEU 145 Cb 1.18 -0.04 0.00 0.00 0.09 0.00 0.00 40.66 41.89 1r8q h LEU 145 CO 0.29 0.46 0.00 1.41 0.09 0.00 0.00 178.44 180.69 1r8q n HIS 146 N -4.12 0.00 1.38 1.13 8.25 -1.26 -1.58 115.22 119.02 1r8q n HIS 146 Ca -0.01 0.00 0.13 0.00 -0.26 0.00 0.00 57.72 57.58 1r8q n HIS 146 Cb 0.39 -0.46 0.45 0.00 1.12 0.00 0.00 29.99 31.49 1r8q n HIS 146 CO 0.00 0.00 0.00 -1.13 0.64 0.00 0.00 176.34 175.85 1r8q n SER 147 N -1.46 1.37 -4.77 0.41 3.41 -0.67 -4.93 113.62 106.98 1r8q n SER 147 Ca 0.04 -1.28 -0.39 0.00 -0.26 0.00 0.00 58.87 56.98 1r8q n SER 147 Cb 0.15 0.06 -0.03 0.00 -0.26 0.00 0.00 64.21 64.14 1r8q n SER 147 CO 0.00 0.00 0.00 -0.76 -0.16 0.00 0.00 175.04 174.12 1r8q s LEU 148 N -2.20 4.30 0.05 1.04 1.43 -0.62 -5.04 118.68 117.64 1r8q s LEU 148 Ca 0.32 2.36 0.05 0.00 -1.03 0.00 0.00 54.13 55.83 1r8q s LEU 148 Cb 0.20 -3.90 -0.02 0.00 0.03 0.00 0.00 46.19 42.50 1r8q s LEU 148 CO 0.41 -0.53 -0.13 -0.13 0.23 0.00 0.00 176.35 176.20 1r8q s ARG 149 N -2.06 0.82 -1.47 1.70 1.81 -1.26 -4.82 118.95 113.67 1r8q s ARG 149 Ca 0.53 -0.81 -0.08 0.00 -1.72 0.00 0.00 55.73 53.66 1r8q s ARG 149 Cb -0.32 -0.80 0.02 0.00 -0.45 0.00 0.00 34.95 33.40 1r8q s ARG 149 CO 0.40 0.19 0.84 0.72 -0.68 0.00 0.00 175.30 176.78 1r8q n HIS 150 N 1.66 -2.32 -3.74 -0.53 8.25 -1.26 -4.97 115.22 112.31 1r8q n HIS 150 Ca -0.20 0.74 -0.18 0.00 -0.26 0.00 0.00 57.72 57.82 1r8q n HIS 150 Cb 0.55 -4.49 -0.17 0.00 1.12 0.00 0.00 29.99 26.99 1r8q n HIS 150 CO 0.00 0.00 0.00 0.50 0.64 0.00 0.00 176.34 177.48 1r8q s ARG 151 N -6.06 0.02 -0.36 -0.41 6.06 -1.26 -4.96 118.95 111.98 1r8q s ARG 151 Ca 0.46 0.26 -0.24 0.00 -2.50 0.00 0.00 55.73 53.71 1r8q s ARG 151 Cb -0.21 -0.44 0.01 0.00 0.06 0.00 0.00 34.95 34.37 1r8q s ARG 151 CO 0.56 -0.25 0.85 1.21 -2.50 0.00 0.00 175.30 175.17 1r8q s ASN 152 N 1.65 6.62 0.08 -2.12 2.47 -1.26 -5.00 114.94 117.38 1r8q s ASN 152 Ca -0.02 0.50 0.03 0.00 0.42 0.00 0.00 52.86 53.79 1r8q s ASN 152 Cb -0.13 -2.43 -0.03 0.00 -1.45 0.00 0.00 41.25 37.21 1r8q s ASN 152 CO -0.03 -0.77 -0.08 -1.66 -3.72 0.00 0.00 177.10 170.84 1r8q s TRP 153 N 3.24 0.90 -0.05 0.43 1.48 -1.26 -1.19 118.94 122.50 1r8q s TRP 153 Ca 0.34 -0.70 -0.11 0.00 -1.06 0.00 0.00 56.10 54.57 1r8q s TRP 153 Cb -0.13 -0.51 0.02 0.00 -1.16 0.00 0.00 33.47 31.69 1r8q s TRP 153 CO 0.17 -0.07 0.27 -0.47 -4.06 0.00 0.00 176.95 172.79 1r8q s TYR 154 N -2.58 -0.20 -0.06 1.66 5.04 -0.30 -4.98 117.35 115.93 1r8q s TYR 154 Ca 0.04 0.41 0.06 0.00 -2.44 0.00 0.00 57.07 55.14 1r8q s TYR 154 Cb -0.02 0.07 -0.01 0.00 0.35 0.00 0.00 41.96 42.36 1r8q s TYR 154 CO -0.02 -0.27 -0.25 -1.50 -1.34 0.00 0.00 175.55 172.18 1r8q s ILE 155 N -0.69 2.03 -0.08 3.14 2.07 -1.26 -0.54 121.20 125.86 1r8q s ILE 155 Ca -0.08 -1.05 0.02 0.00 -1.41 0.00 0.00 60.65 58.14 1r8q s ILE 155 Cb -0.04 -1.72 0.01 0.00 0.13 0.00 0.00 42.46 40.84 1r8q s ILE 155 CO 0.02 0.56 -0.15 -1.58 -1.91 0.00 0.00 174.94 171.88 1r8q s GLN 156 N -0.11 2.06 0.17 3.50 2.00 0.47 -4.96 119.66 122.80 1r8q s GLN 156 Ca -0.05 -0.53 -0.30 0.00 -2.00 0.00 0.00 55.36 52.48 1r8q s GLN 156 Cb -0.14 -1.68 -0.08 0.00 0.80 0.00 0.00 33.01 31.92 1r8q s GLN 156 CO 0.04 0.03 1.11 0.00 -0.50 0.00 0.00 175.29 175.98 1r8q s ALA 157 N 0.69 3.38 0.04 1.58 0.00 -1.26 -1.06 121.76 125.13 1r8q s ALA 157 Ca -0.13 0.83 0.00 0.00 0.00 0.00 0.00 51.96 52.66 1r8q s ALA 157 Cb -0.16 -3.36 -0.03 0.00 0.00 0.00 0.00 23.12 19.57 1r8q s ALA 157 CO 0.03 -0.24 -0.04 0.95 0.00 0.00 0.00 175.76 176.46 1r8q s THR 158 N -0.17 0.29 -0.27 0.00 -4.23 -0.56 -4.31 115.64 106.39 1r8q s THR 158 Ca 0.50 -1.31 0.02 0.00 -1.18 0.00 0.00 61.69 59.72 1r8q s THR 158 Cb -0.30 -0.84 0.07 0.00 1.34 0.00 0.00 72.50 72.78 1r8q s THR 158 CO 0.35 -0.66 -0.02 0.00 -0.54 0.00 0.00 174.62 173.75 1r8q h ALA 160 N 7.86 1.09 -0.05 0.00 0.00 -1.92 0.14 119.26 126.38 1r8q h ALA 160 Ca -0.14 -0.36 -0.11 0.00 0.00 0.00 0.00 54.91 54.30 1r8q h ALA 160 Cb 1.05 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 18.76 1r8q h ALA 160 CO 0.45 0.49 -0.48 1.79 0.00 0.00 0.00 179.25 181.50 1r8q h THR 161 N 0.00 1.34 0.00 0.00 1.35 -1.95 -3.02 112.91 110.63 1r8q h THR 161 Ca -0.00 -1.68 -0.04 0.00 -0.55 0.00 0.00 66.41 64.14 1r8q h THR 161 Cb 0.84 1.84 -0.01 0.00 -1.73 0.00 0.00 68.15 69.09 1r8q h THR 161 CO 0.05 0.49 -1.53 -1.54 -0.25 0.00 0.00 175.52 172.74 1r8q n SER 162 N -3.96 0.45 0.00 5.36 3.41 -1.08 -4.98 113.62 112.82 1r8q n SER 162 Ca -0.02 0.18 0.00 0.00 -0.26 0.00 0.00 58.87 58.77 1r8q n SER 162 Cb 0.52 1.09 0.00 0.00 -0.26 0.00 0.00 64.21 65.56 1r8q n SER 162 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1r8q n GLY 163 N 1.26 0.93 3.75 5.00 0.00 0.43 -5.03 105.19 111.53 1r8q n GLY 163 Ca -0.04 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.56 1r8q n GLY 163 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1r8q s ASP 164 N -2.83 6.57 0.00 1.61 1.01 -0.84 -2.02 116.67 120.18 1r8q s ASP 164 Ca 0.00 2.76 0.00 0.00 0.71 0.00 0.00 52.55 56.02 1r8q s ASP 164 Cb 0.00 -2.63 0.00 0.00 1.01 0.00 0.00 42.92 41.30 1r8q s ASP 164 CO 0.00 -0.76 0.00 0.61 0.21 0.00 0.00 175.17 175.23 1r8q n GLY 165 N 2.06 3.08 0.06 0.21 0.00 -1.26 -1.37 105.19 107.96 1r8q n GLY 165 Ca 0.07 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 45.97 1r8q n GLY 165 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 1r8q h LEU 166 N 0.00 -0.05 -0.35 0.99 3.38 -1.70 -1.51 115.31 116.07 1r8q h LEU 166 Ca 0.00 0.01 0.06 0.00 0.09 0.00 0.00 57.88 58.04 1r8q h LEU 166 Cb 0.00 0.03 -0.06 0.00 0.09 0.00 0.00 40.66 40.72 1r8q h LEU 166 CO 0.00 -0.02 -0.00 0.22 0.09 0.00 0.00 178.44 178.73 1r8q h TYR 167 N -0.02 -0.02 -0.47 1.13 3.20 -1.91 -0.72 116.97 118.15 1r8q h TYR 167 Ca 0.01 0.03 -0.11 0.00 3.14 0.00 0.00 58.73 61.80 1r8q h TYR 167 Cb 0.04 0.06 -0.02 0.00 1.54 0.00 0.00 36.73 38.36 1r8q h TYR 167 CO -0.10 -0.06 -0.13 0.93 -1.64 0.00 0.00 178.16 177.15 1r8q h GLU 168 N 0.10 0.88 -0.25 1.82 3.07 -1.89 -0.15 114.58 118.15 1r8q h GLU 168 Ca 0.17 -0.32 -0.12 0.00 -0.50 0.00 0.00 59.36 58.59 1r8q h GLU 168 Cb 0.23 -0.06 -0.00 0.00 -0.84 0.00 0.00 28.75 28.08 1r8q h GLU 168 CO -0.28 0.96 -0.33 0.78 -1.40 0.00 0.00 179.01 178.74 1r8q h GLY 169 N 0.96 0.73 1.86 -3.84 0.00 -0.98 -2.33 103.07 99.46 1r8q h GLY 169 Ca 0.12 -0.79 -0.09 0.00 0.00 0.00 0.00 47.33 46.58 1r8q h GLY 169 CO 0.05 0.71 -0.38 1.41 0.00 0.00 0.00 176.54 178.33 1r8q h LEU 170 N 0.38 0.16 -0.29 3.11 3.38 -0.94 -1.21 115.31 119.91 1r8q h LEU 170 Ca 0.03 -0.06 -0.01 0.00 0.09 0.00 0.00 57.88 57.92 1r8q h LEU 170 Cb 0.91 -0.05 -0.01 0.00 0.09 0.00 0.00 40.66 41.60 1r8q h LEU 170 CO 0.08 0.53 0.13 -0.78 0.09 0.00 0.00 178.44 178.49 1r8q h ASP 171 N 0.14 0.39 -0.53 -0.43 3.58 -0.97 0.21 116.42 118.80 1r8q h ASP 171 Ca 0.01 -0.15 0.09 0.00 0.42 0.00 0.00 57.03 57.41 1r8q h ASP 171 Cb 0.73 -0.10 -0.07 0.00 1.72 0.00 0.00 39.33 41.61 1r8q h ASP 171 CO 0.06 0.43 0.13 -0.25 -2.88 0.00 0.00 179.24 176.73 1r8q h TRP 172 N 0.32 0.22 -0.34 0.28 7.01 -1.13 -1.72 115.95 120.59 1r8q h TRP 172 Ca 0.10 0.03 -0.02 0.00 2.11 0.00 0.00 58.89 61.11 1r8q h TRP 172 Cb 0.15 -0.02 -0.02 0.00 -2.10 0.00 0.00 29.16 27.18 1r8q h TRP 172 CO -0.01 0.02 0.15 1.25 -2.79 0.00 0.00 178.44 177.06 1r8q h LEU 173 N 0.28 0.46 -1.09 0.65 5.85 -0.93 -1.97 115.31 118.55 1r8q h LEU 173 Ca 0.27 -0.14 0.06 0.00 0.84 0.00 0.00 57.88 58.90 1r8q h LEU 173 Cb 0.36 -0.12 -0.06 0.00 0.37 0.00 0.00 40.66 41.21 1r8q h LEU 173 CO -0.33 0.47 0.62 0.77 -0.34 0.00 0.00 178.44 179.63 1r8q h SER 174 N 0.41 0.98 0.55 1.25 4.64 -0.24 -1.09 113.55 120.06 1r8q h SER 174 Ca 0.12 0.00 -0.14 0.00 -0.47 0.00 0.00 61.79 61.30 1r8q h SER 174 Cb 0.15 -0.21 -0.02 0.00 -0.31 0.00 0.00 62.40 62.01 1r8q h SER 174 CO -0.01 0.64 -0.62 0.78 -0.87 0.00 0.00 176.83 176.75 1r8q h ASN 175 N 1.12 0.08 -0.25 4.97 2.35 -0.74 -2.34 115.58 120.76 1r8q h ASN 175 Ca 0.40 -0.05 -0.09 0.00 -0.55 0.00 0.00 56.30 56.02 1r8q h ASN 175 Cb 0.14 -0.02 -0.02 0.00 0.05 0.00 0.00 38.32 38.47 1r8q h ASN 175 CO -0.15 0.68 -0.13 1.56 -1.65 0.00 0.00 177.43 177.75 1r8q h GLN 176 N 0.05 0.67 0.00 0.81 1.08 -0.61 -2.86 115.11 114.25 1r8q h GLN 176 Ca -0.01 -0.21 0.00 0.00 -1.45 0.00 0.00 58.65 56.98 1r8q h GLN 176 Cb 1.11 -0.06 0.00 0.00 -0.05 0.00 0.00 27.48 28.48 1r8q h GLN 176 CO 0.09 0.77 -0.41 -0.07 -0.95 0.00 0.00 178.83 178.26 1r8q h LEU 177 N 0.60 0.00 0.06 1.46 3.38 -0.93 -3.18 115.31 116.71 1r8q h LEU 177 Ca 0.10 -0.04 -0.28 0.00 0.09 0.00 0.00 57.88 57.75 1r8q h LEU 177 Cb 0.57 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.29 1r8q h LEU 177 CO 0.04 0.02 -1.47 0.08 0.09 0.00 0.00 178.44 177.20 1r8q h ARG 178 N 0.00 0.14 -0.34 1.13 0.11 -1.43 -3.37 114.38 110.62 1r8q h ARG 178 Ca 0.00 -0.23 -0.07 0.00 0.10 0.00 0.00 59.98 59.78 1r8q h ARG 178 Cb 0.91 0.09 -0.02 0.00 1.11 0.00 0.00 29.97 32.06 1r8q h ARG 178 CO 0.00 0.95 -0.08 -0.91 0.10 0.00 0.00 179.97 180.03 1r8q h ASN 179 N 0.04 0.55 0.00 0.08 -0.26 -1.49 -3.51 115.58 110.98 1r8q h ASN 179 Ca -0.21 -0.13 0.00 0.00 -0.56 0.00 0.00 56.30 55.40 1r8q h ASN 179 Cb 1.96 -0.15 0.00 0.00 -1.06 0.00 0.00 38.32 39.08 1r8q h ASN 179 CO 0.13 0.67 0.00 0.00 -1.06 0.00 0.00 177.43 177.18