#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1i1q s ASP 2 N 0.00 6.55 -0.06 0.00 1.11 -0.62 -1.29 116.67 122.36 1i1q s ASP 2 Ca 0.00 0.67 0.05 0.00 0.18 0.00 0.00 52.55 53.45 1i1q s ASP 2 Cb 0.00 -2.32 -0.00 0.00 1.07 0.00 0.00 42.92 41.67 1i1q s ASP 2 CO 0.00 -0.31 -0.22 -0.63 1.18 0.00 0.00 175.17 175.19 1i1q s ILE 3 N 2.28 1.82 -0.36 0.77 1.01 0.23 -1.83 121.20 125.11 1i1q s ILE 3 Ca 0.25 -0.92 -0.09 0.00 0.00 0.00 0.00 60.65 59.89 1i1q s ILE 3 Cb -0.16 -1.56 0.03 0.00 0.01 0.00 0.00 42.46 40.79 1i1q s ILE 3 CO 0.09 0.51 0.17 -0.22 0.00 0.00 0.00 174.94 175.49 1i1q s LEU 4 N 0.06 4.52 -0.33 2.97 0.20 -0.52 -1.22 118.68 124.36 1i1q s LEU 4 Ca -0.08 -1.00 -0.15 0.00 0.69 0.00 0.00 54.13 53.59 1i1q s LEU 4 Cb -0.14 -1.97 -0.02 0.00 -0.43 0.00 0.00 46.19 43.63 1i1q s LEU 4 CO 0.04 -0.35 0.37 -0.22 -0.29 0.00 0.00 176.35 175.91 1i1q s LEU 5 N 1.51 4.36 -0.50 -0.68 2.96 0.34 -1.77 118.68 124.90 1i1q s LEU 5 Ca 0.01 -0.13 -0.24 0.00 -0.22 0.00 0.00 54.13 53.55 1i1q s LEU 5 Cb -0.19 -2.37 0.03 0.00 0.50 0.00 0.00 46.19 44.16 1i1q s LEU 5 CO 0.05 -0.32 0.91 -0.22 -1.32 0.00 0.00 176.35 175.45 1i1q s LEU 6 N 2.06 4.09 -0.34 -0.68 2.96 -0.27 -2.29 118.68 124.21 1i1q s LEU 6 Ca 0.13 -0.13 -0.29 0.00 -0.22 0.00 0.00 54.13 53.62 1i1q s LEU 6 Cb -0.16 -3.00 0.02 0.00 0.50 0.00 0.00 46.19 43.55 1i1q s LEU 6 CO 0.12 -1.10 1.12 -0.62 -1.32 0.00 0.00 176.35 174.55 1i1q s ASP 7 N 2.49 6.84 -0.51 3.68 3.68 0.38 -2.26 116.67 130.98 1i1q s ASP 7 Ca 0.33 0.99 -0.01 0.00 2.13 0.00 0.00 52.55 55.99 1i1q s ASP 7 Cb -0.11 -2.54 0.37 0.00 -1.45 0.00 0.00 42.92 39.18 1i1q s ASP 7 CO 0.23 -0.97 2.00 0.59 0.13 0.00 0.00 175.17 177.15 1i1q n ASN 8 N 7.14 6.87 -3.45 -0.34 3.02 -1.26 -2.00 115.26 125.24 1i1q n ASN 8 Ca 0.12 -3.46 -0.20 0.00 -0.03 0.00 0.00 54.58 51.01 1i1q n ASN 8 Cb 0.47 -0.99 0.06 0.00 -0.61 0.00 0.00 39.78 38.71 1i1q n ASN 8 CO 0.00 0.00 0.00 -0.38 -2.62 0.00 0.00 177.26 174.26 1i1q n ILE 9 N -0.42 -7.18 -4.51 2.41 5.41 -1.26 -4.44 119.36 109.37 1i1q n ILE 9 Ca 0.49 -1.01 -0.25 0.00 1.00 0.00 0.00 62.75 62.99 1i1q n ILE 9 Cb 0.70 -5.34 -0.10 0.00 -0.71 0.00 0.00 39.64 34.18 1i1q n ILE 9 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 176.55 175.93 1i1q s ASP 10 N -3.70 3.49 -0.25 4.38 -1.08 -1.26 -4.61 116.67 113.63 1i1q s ASP 10 Ca 0.32 -1.18 0.13 0.00 -0.52 0.00 0.00 52.55 51.31 1i1q s ASP 10 Cb -0.07 -0.30 0.78 0.00 -1.46 0.00 0.00 42.92 41.87 1i1q s ASP 10 CO 0.78 -0.21 1.74 -1.20 0.52 0.00 0.00 175.17 176.80 1i1q n SER 11 N -0.72 5.36 0.00 -0.34 7.64 -1.26 -4.11 113.62 120.18 1i1q n SER 11 Ca -0.05 -3.02 0.00 0.00 1.01 0.00 0.00 58.87 56.81 1i1q n SER 11 Cb 0.63 -0.69 0.00 0.00 -1.01 0.00 0.00 64.21 63.14 1i1q n SER 11 CO 0.00 0.00 0.00 0.49 -3.01 0.00 0.00 175.04 172.52 1i1q n PHE 12 N 0.32 0.00 -0.28 1.43 0.99 -1.26 -4.83 117.46 113.82 1i1q n PHE 12 Ca 0.30 -0.11 -0.05 0.00 -0.00 0.00 0.00 57.45 57.60 1i1q n PHE 12 Cb 1.22 -0.01 0.06 0.00 -1.00 0.00 0.00 39.48 39.75 1i1q n PHE 12 CO 0.00 0.00 0.00 1.15 -0.00 0.00 0.00 176.76 177.91 1i1q h THR 13 N 0.84 1.22 0.00 4.37 2.02 -1.94 -2.80 112.91 116.62 1i1q h THR 13 Ca 0.00 -0.52 -0.02 0.00 0.77 0.00 0.00 66.41 66.64 1i1q h THR 13 Cb 0.43 0.18 -0.00 0.00 -1.74 0.00 0.00 68.15 67.02 1i1q h THR 13 CO 0.00 0.24 -0.09 -0.50 0.37 0.00 0.00 175.52 175.53 1i1q h TRP 14 N 1.05 0.00 -0.34 3.16 4.06 -1.89 -2.14 115.95 119.84 1i1q h TRP 14 Ca 0.27 0.00 -0.07 0.00 2.06 0.00 0.00 58.89 61.15 1i1q h TRP 14 Cb -0.01 0.00 -0.02 0.00 -1.00 0.00 0.00 29.16 28.14 1i1q h TRP 14 CO -0.00 0.09 -0.07 -0.91 -3.56 0.00 0.00 178.44 173.99 1i1q h ASN 15 N 0.00 0.54 -0.17 -3.49 2.35 -1.85 0.37 115.58 113.34 1i1q h ASN 15 Ca -0.00 -0.13 -0.07 0.00 -0.55 0.00 0.00 56.30 55.54 1i1q h ASN 15 Cb 0.84 -0.14 -0.00 0.00 0.05 0.00 0.00 38.32 39.06 1i1q h ASN 15 CO 0.01 0.67 -0.18 -0.07 -1.65 0.00 0.00 177.43 176.21 1i1q h LEU 16 N 0.53 0.46 -0.89 1.61 3.38 -1.42 -2.91 115.31 116.06 1i1q h LEU 16 Ca 0.10 -0.49 0.03 0.00 0.09 0.00 0.00 57.88 57.62 1i1q h LEU 16 Cb 0.45 -0.13 -0.05 0.00 0.09 0.00 0.00 40.66 41.02 1i1q h LEU 16 CO 0.02 0.85 0.58 0.00 0.09 0.00 0.00 178.44 179.98 1i1q h ALA 17 N 0.62 1.17 -0.22 1.53 0.00 -0.91 -2.48 119.26 118.97 1i1q h ALA 17 Ca 0.03 -0.04 -0.02 0.00 0.00 0.00 0.00 54.91 54.88 1i1q h ALA 17 Cb 0.73 -0.31 -0.01 0.00 0.00 0.00 0.00 17.79 18.19 1i1q h ALA 17 CO 0.04 0.44 0.06 0.22 0.00 0.00 0.00 179.25 180.01 1i1q h ASP 18 N 1.12 0.33 -1.00 0.00 1.82 -0.95 -0.58 116.42 117.16 1i1q h ASP 18 Ca 0.35 -0.22 0.07 0.00 -0.39 0.00 0.00 57.03 56.85 1i1q h ASP 18 Cb -0.00 -0.09 -0.07 0.00 0.68 0.00 0.00 39.33 39.85 1i1q h ASP 18 CO -0.12 0.46 0.64 1.56 -1.61 0.00 0.00 179.24 180.18 1i1q h GLN 19 N 0.19 1.11 -0.03 0.28 4.20 -1.30 -0.93 115.11 118.64 1i1q h GLN 19 Ca 0.07 -0.07 -0.03 0.00 0.06 0.00 0.00 58.65 58.68 1i1q h GLN 19 Cb 0.25 -0.25 0.00 0.00 0.30 0.00 0.00 27.48 27.78 1i1q h GLN 19 CO -0.00 0.74 -0.10 -0.07 -0.67 0.00 0.00 178.83 178.72 1i1q h LEU 20 N 1.15 0.14 -1.48 1.46 3.38 -1.29 -3.19 115.31 115.47 1i1q h LEU 20 Ca 0.44 -0.64 -0.04 0.00 0.09 0.00 0.00 57.88 57.73 1i1q h LEU 20 Cb 0.21 -0.04 -0.01 0.00 0.09 0.00 0.00 40.66 40.91 1i1q h LEU 20 CO -0.19 0.76 -0.10 0.03 0.09 0.00 0.00 178.44 179.03 1i1q h ARG 21 N -0.47 0.21 -0.10 1.13 3.08 -0.96 -1.57 114.38 115.70 1i1q h ARG 21 Ca -0.01 -0.04 -0.06 0.00 0.07 0.00 0.00 59.98 59.95 1i1q h ARG 21 Cb 0.75 -0.03 -0.01 0.00 0.08 0.00 0.00 29.97 30.76 1i1q h ARG 21 CO 0.02 0.32 -0.20 1.15 -1.07 0.00 0.00 179.97 180.19 1i1q h THR 22 N 0.20 1.20 -0.27 2.04 2.02 -1.23 -1.80 112.91 115.06 1i1q h THR 22 Ca 0.04 -0.90 0.00 0.00 0.77 0.00 0.00 66.41 66.32 1i1q h THR 22 Cb 0.32 1.35 0.00 0.00 -1.74 0.00 0.00 68.15 68.07 1i1q h THR 22 CO 0.02 0.27 0.00 0.59 0.37 0.00 0.00 175.52 176.77 1i1q n ASN 23 N -4.23 2.57 0.00 4.18 3.02 -0.63 -4.89 115.26 115.28 1i1q n ASN 23 Ca -0.01 -2.27 0.00 0.00 -0.03 0.00 0.00 54.58 52.27 1i1q n ASN 23 Cb 0.31 -0.46 0.00 0.00 -0.61 0.00 0.00 39.78 39.02 1i1q n ASN 23 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1i1q n GLY 24 N 0.50 0.94 3.80 7.41 0.00 -0.68 -5.00 105.19 112.17 1i1q n GLY 24 Ca 0.11 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.79 1i1q n GLY 24 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 1i1q s HIS 25 N -3.73 2.96 -0.21 1.61 3.76 -0.97 -4.71 115.29 114.00 1i1q s HIS 25 Ca 0.00 1.56 -0.17 0.00 -0.15 0.00 0.00 55.06 56.30 1i1q s HIS 25 Cb 0.00 -3.08 -0.04 0.00 1.11 0.00 0.00 32.58 30.58 1i1q s HIS 25 CO 0.00 -0.98 0.46 -0.80 -0.85 0.00 0.00 174.74 172.57 1i1q s ASN 26 N -2.13 6.48 0.00 1.40 -0.87 -0.41 -4.28 114.94 115.12 1i1q s ASN 26 Ca 0.67 0.57 0.05 0.00 -1.57 0.00 0.00 52.86 52.58 1i1q s ASN 26 Cb -0.17 -2.26 -0.02 0.00 -0.02 0.00 0.00 41.25 38.78 1i1q s ASN 26 CO 0.24 -0.14 -0.16 -0.69 -2.57 0.00 0.00 177.10 173.78 1i1q s VAL 27 N 1.56 1.28 -0.07 1.60 1.01 -1.26 0.74 120.40 125.26 1i1q s VAL 27 Ca 0.21 -0.80 0.01 0.00 0.00 0.00 0.00 61.98 61.40 1i1q s VAL 27 Cb -0.15 -1.09 0.02 0.00 0.00 0.00 0.00 36.38 35.16 1i1q s VAL 27 CO 0.09 0.28 -0.08 -0.69 0.00 0.00 0.00 175.10 174.69 1i1q s VAL 28 N -0.51 0.92 -0.17 2.92 1.01 -0.36 -4.97 120.40 119.24 1i1q s VAL 28 Ca 0.06 -0.31 -0.04 0.00 0.00 0.00 0.00 61.98 61.69 1i1q s VAL 28 Cb -0.07 -0.90 -0.03 0.00 0.00 0.00 0.00 36.38 35.38 1i1q s VAL 28 CO 0.00 0.32 -0.02 -0.63 0.00 0.00 0.00 175.10 174.77 1i1q s ILE 29 N 1.10 3.96 -0.02 2.22 1.09 -1.26 -0.50 121.20 127.79 1i1q s ILE 29 Ca -0.07 -0.33 0.04 0.00 -1.10 0.00 0.00 60.65 59.19 1i1q s ILE 29 Cb -0.14 -2.75 -0.01 0.00 -1.06 0.00 0.00 42.46 38.50 1i1q s ILE 29 CO -0.01 0.47 -0.13 -0.31 -0.10 0.00 0.00 174.94 174.86 1i1q s TYR 30 N 0.54 1.24 0.72 3.97 2.02 -0.97 -4.97 117.35 119.89 1i1q s TYR 30 Ca -0.02 -0.27 -0.11 0.00 -0.37 0.00 0.00 57.07 56.30 1i1q s TYR 30 Cb -0.14 -0.82 0.02 0.00 -0.40 0.00 0.00 41.96 40.62 1i1q s TYR 30 CO 0.02 -0.06 1.07 1.03 -1.57 0.00 0.00 175.55 176.05 1i1q s ARG 31 N -0.16 2.69 -0.00 -0.62 1.81 -1.26 -0.47 118.95 120.93 1i1q s ARG 31 Ca 0.02 1.06 0.00 0.00 -1.72 0.00 0.00 55.73 55.09 1i1q s ARG 31 Cb -0.07 -1.96 0.02 0.00 -0.45 0.00 0.00 34.95 32.49 1i1q s ARG 31 CO 0.00 -1.30 0.58 0.27 -0.68 0.00 0.00 175.30 174.18 1i1q n ASN 32 N -3.22 1.00 -0.27 0.23 2.04 -0.84 -3.11 115.26 111.09 1i1q n ASN 32 Ca 0.08 -2.02 0.09 0.00 -0.44 0.00 0.00 54.58 52.29 1i1q n ASN 32 Cb 0.53 -0.45 -0.04 0.00 -2.53 0.00 0.00 39.78 37.29 1i1q n ASN 32 CO 0.00 0.00 0.00 0.00 -0.44 0.00 0.00 177.26 176.82 1i1q n HIS 33 N -0.04 0.00 -1.97 -2.53 1.44 -1.26 -1.99 115.22 108.87 1i1q n HIS 33 Ca 0.01 0.00 -0.39 0.00 -2.01 0.00 0.00 57.72 55.32 1i1q n HIS 33 Cb 0.24 0.00 0.01 0.00 0.12 0.00 0.00 29.99 30.36 1i1q n HIS 33 CO 0.00 0.00 0.00 0.42 -2.81 0.00 0.00 176.34 173.95 1i1q s ILE 34 N -2.36 2.44 0.20 0.61 -1.09 -1.18 -4.91 121.20 114.91 1i1q s ILE 34 Ca 0.12 0.38 -0.16 0.00 -2.23 0.00 0.00 60.65 58.76 1i1q s ILE 34 Cb 0.15 -3.22 0.19 0.00 -1.58 0.00 0.00 42.46 38.00 1i1q s ILE 34 CO 0.58 0.04 1.38 -2.65 -1.23 0.00 0.00 174.94 173.06 1i1q n PRO 35 N -0.18 -0.22 0.00 2.79 -0.02 -1.26 -4.55 135.00 131.56 1i1q n PRO 35 Ca 0.05 1.37 0.00 0.00 -2.02 0.00 0.00 63.50 62.90 1i1q n PRO 35 Cb 0.44 -2.03 0.00 0.00 -0.02 0.00 0.00 33.50 31.89 1i1q n PRO 35 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1i1q n ALA 36 N -3.52 0.00 0.09 3.55 0.00 -1.26 -4.82 120.51 114.56 1i1q n ALA 36 Ca 0.09 0.00 0.05 0.00 0.00 0.00 0.00 53.44 53.57 1i1q n ALA 36 Cb 0.35 0.00 0.48 0.00 0.00 0.00 0.00 19.45 20.28 1i1q n ALA 36 CO 0.00 0.00 0.00 0.37 0.00 0.00 0.00 177.50 177.87 1i1q h GLN 37 N 0.00 0.34 -0.83 0.00 5.75 -1.99 0.17 115.11 118.55 1i1q h GLN 37 Ca 0.00 -0.03 -0.03 0.00 -0.15 0.00 0.00 58.65 58.44 1i1q h GLN 37 Cb 0.00 -0.07 -0.04 0.00 1.07 0.00 0.00 27.48 28.44 1i1q h GLN 37 CO 0.00 0.26 0.40 1.15 -2.65 0.00 0.00 178.83 177.99 1i1q h THR 38 N 0.35 1.26 -0.16 2.39 2.02 -1.94 0.09 112.91 116.92 1i1q h THR 38 Ca 0.09 -0.72 -0.07 0.00 0.77 0.00 0.00 66.41 66.48 1i1q h THR 38 Cb 0.03 0.20 -0.00 0.00 -1.74 0.00 0.00 68.15 66.63 1i1q h THR 38 CO -0.01 0.31 -0.17 -0.07 0.37 0.00 0.00 175.52 175.94 1i1q h LEU 39 N 1.19 0.43 -0.83 2.58 3.38 -1.16 -1.99 115.31 118.91 1i1q h LEU 39 Ca 0.29 -0.49 0.02 0.00 0.09 0.00 0.00 57.88 57.79 1i1q h LEU 39 Cb 0.12 -0.12 -0.05 0.00 0.09 0.00 0.00 40.66 40.70 1i1q h LEU 39 CO -0.04 0.83 0.54 0.40 0.09 0.00 0.00 178.44 180.26 1i1q h ILE 40 N 0.03 1.16 -0.53 1.22 2.04 -0.59 0.70 117.51 121.54 1i1q h ILE 40 Ca 0.02 -0.37 -0.04 0.00 1.00 0.00 0.00 64.86 65.48 1i1q h ILE 40 Cb 0.72 -0.00 -0.03 0.00 -0.74 0.00 0.00 36.82 36.77 1i1q h ILE 40 CO 0.04 0.20 0.16 0.44 0.00 0.00 0.00 178.15 178.99 1i1q h ASP 41 N 1.07 0.73 -0.07 1.72 3.32 -0.95 0.98 116.42 123.22 1i1q h ASP 41 Ca 0.32 -0.11 -0.01 0.00 0.02 0.00 0.00 57.03 57.25 1i1q h ASP 41 Cb -0.04 -0.19 -0.00 0.00 0.22 0.00 0.00 39.33 39.32 1i1q h ASP 41 CO -0.10 0.69 -0.00 -0.09 -1.72 0.00 0.00 179.24 178.02 1i1q h ARG 42 N 0.77 0.12 -0.10 3.56 9.65 -0.20 -3.19 114.38 124.99 1i1q h ARG 42 Ca 0.18 -0.04 0.02 0.00 -1.10 0.00 0.00 59.98 59.04 1i1q h ARG 42 Cb 0.23 -0.01 -0.02 0.00 -1.39 0.00 0.00 29.97 28.78 1i1q h ARG 42 CO -0.01 0.39 -0.04 -0.07 2.80 0.00 0.00 179.97 183.05 1i1q h LEU 43 N -0.17 -0.13 0.00 3.80 3.38 0.78 -1.31 115.31 121.66 1i1q h LEU 43 Ca 0.02 0.04 0.00 0.00 0.09 0.00 0.00 57.88 58.02 1i1q h LEU 43 Cb 0.34 0.08 0.00 0.00 0.09 0.00 0.00 40.66 41.17 1i1q h LEU 43 CO 0.00 -0.05 0.00 0.00 0.09 0.00 0.00 178.44 178.49 1i1q n ALA 44 N -2.28 1.39 0.65 1.53 0.00 0.30 -0.44 120.51 121.67 1i1q n ALA 44 Ca -0.05 0.00 0.07 0.00 0.00 0.00 0.00 53.44 53.47 1i1q n ALA 44 Cb 0.09 -0.97 0.02 0.00 0.00 0.00 0.00 19.45 18.59 1i1q n ALA 44 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 177.50 179.91 1i1q n THR 45 N -1.06 0.00 -3.86 0.00 -1.04 -0.50 -4.98 114.28 102.85 1i1q n THR 45 Ca 0.00 -0.40 -0.34 0.00 -2.04 0.00 0.00 64.05 61.27 1i1q n THR 45 Cb 0.00 1.23 -0.05 0.00 -1.82 0.00 0.00 70.33 69.69 1i1q n THR 45 CO 0.00 0.00 0.00 -0.04 -0.64 0.00 0.00 175.07 174.39 1i1q s MET 46 N -1.61 3.48 -0.04 -2.82 -1.94 0.42 -5.04 119.30 111.75 1i1q s MET 46 Ca 0.14 -0.25 -0.24 0.00 -1.71 0.00 0.00 55.69 53.64 1i1q s MET 46 Cb 0.12 -3.09 -0.18 0.00 2.01 0.00 0.00 34.83 33.70 1i1q s MET 46 CO 0.31 0.66 1.03 0.87 -0.01 0.00 0.00 175.02 177.89 1i1q h LYS 47 N 3.84 -0.15 -2.50 2.03 1.57 -1.93 -3.37 116.57 116.05 1i1q h LYS 47 Ca -0.49 0.01 -0.68 0.00 -1.87 0.00 0.00 60.65 57.62 1i1q h LYS 47 Cb 1.19 0.03 -0.37 0.00 0.08 0.00 0.00 32.23 33.17 1i1q h LYS 47 CO 0.68 0.33 -0.08 0.09 -0.57 0.00 0.00 179.45 179.89 1i1q n ASN 48 N -4.90 4.73 -4.69 0.86 3.02 -1.26 -5.02 115.26 107.99 1i1q n ASN 48 Ca -0.08 -3.42 -0.42 0.00 -0.03 0.00 0.00 54.58 50.62 1i1q n ASN 48 Cb 0.27 -0.90 -0.03 0.00 -0.61 0.00 0.00 39.78 38.52 1i1q n ASN 48 CO 0.00 0.00 0.00 -2.84 -2.62 0.00 0.00 177.26 171.80 1i1q s PRO 49 N -2.55 4.14 -0.06 3.52 0.02 -1.26 -1.59 135.00 137.23 1i1q s PRO 49 Ca 0.36 2.56 -0.02 0.00 0.02 0.00 0.00 61.00 63.92 1i1q s PRO 49 Cb 0.10 -3.54 0.04 0.00 0.02 0.00 0.00 34.50 31.12 1i1q s PRO 49 CO 0.03 -0.82 0.12 0.08 -0.33 0.00 0.00 177.00 176.08 1i1q s VAL 50 N 2.55 -0.11 -0.25 3.83 1.01 -0.76 -4.41 120.40 122.25 1i1q s VAL 50 Ca 0.79 0.26 -0.10 0.00 0.00 0.00 0.00 61.98 62.92 1i1q s VAL 50 Cb -0.46 -0.22 -0.05 0.00 0.00 0.00 0.00 36.38 35.66 1i1q s VAL 50 CO 0.35 0.11 0.16 -0.22 0.00 0.00 0.00 175.10 175.50 1i1q s LEU 51 N 1.53 4.03 -0.09 3.92 2.96 -0.64 -1.44 118.68 128.95 1i1q s LEU 51 Ca -0.05 0.04 0.03 0.00 -0.22 0.00 0.00 54.13 53.94 1i1q s LEU 51 Cb -0.12 -2.10 -0.01 0.00 0.50 0.00 0.00 46.19 44.46 1i1q s LEU 51 CO -0.05 0.02 -0.18 -0.32 -1.32 0.00 0.00 176.35 174.50 1i1q s MET 52 N 1.34 2.95 -0.36 1.98 -2.45 -0.73 -0.65 119.30 121.38 1i1q s MET 52 Ca 0.07 -0.78 -0.09 0.00 -1.25 0.00 0.00 55.69 53.64 1i1q s MET 52 Cb -0.15 -2.41 0.03 0.00 1.25 0.00 0.00 34.83 33.56 1i1q s MET 52 CO 0.07 0.33 0.16 -0.51 1.05 0.00 0.00 175.02 176.12 1i1q s LEU 53 N 0.01 4.56 0.88 4.11 1.43 0.11 -1.12 118.68 128.66 1i1q s LEU 53 Ca -0.06 -1.07 -0.11 0.00 -1.03 0.00 0.00 54.13 51.85 1i1q s LEU 53 Cb -0.15 -1.95 0.12 0.00 0.03 0.00 0.00 46.19 44.24 1i1q s LEU 53 CO 0.05 -0.36 1.09 -0.94 0.23 0.00 0.00 176.35 176.42 1i1q s SER 54 N 1.49 3.58 1.13 2.29 1.04 -0.96 -0.90 113.70 121.37 1i1q s SER 54 Ca 0.00 1.58 -0.18 0.00 0.48 0.00 0.00 55.95 57.83 1i1q s SER 54 Cb -0.19 -2.26 0.26 0.00 0.10 0.00 0.00 66.02 63.93 1i1q s SER 54 CO 0.05 -2.58 1.16 -2.84 0.98 0.00 0.00 173.24 170.00 1i1q s PRO 55 N -4.90 -0.69 0.00 4.02 0.02 -1.17 -3.62 135.00 128.66 1i1q s PRO 55 Ca 0.63 -0.12 0.00 0.00 0.02 0.00 0.00 61.00 61.53 1i1q s PRO 55 Cb -0.18 -1.66 0.00 0.00 0.02 0.00 0.00 34.50 32.67 1i1q s PRO 55 CO 0.57 -3.35 0.00 0.41 -0.33 0.00 0.00 177.00 174.30 1i1q n GLY 56 N -1.64 2.00 3.90 0.52 0.00 -1.26 -4.14 105.19 104.56 1i1q n GLY 56 Ca 0.13 -0.94 -0.28 0.00 0.00 0.00 0.00 46.02 44.93 1i1q n GLY 56 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1i1q s PRO 57 N -2.00 3.07 0.52 1.61 0.04 -1.26 -4.61 135.00 132.36 1i1q s PRO 57 Ca 0.00 0.27 0.00 0.00 0.04 0.00 0.00 61.00 61.31 1i1q s PRO 57 Cb 0.00 -2.18 0.00 0.00 0.04 0.00 0.00 34.50 32.36 1i1q s PRO 57 CO 0.00 -0.73 0.00 0.41 0.04 0.00 0.00 177.00 176.72 1i1q n GLY 58 N -2.70 -1.80 3.57 0.56 0.00 -1.26 -4.96 105.19 98.60 1i1q n GLY 58 Ca 0.05 -1.80 -0.33 0.00 0.00 0.00 0.00 46.02 43.94 1i1q n GLY 58 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1i1q s VAL 59 N 0.00 3.62 0.42 1.61 1.01 -1.26 -5.02 120.40 120.77 1i1q s VAL 59 Ca 0.00 -0.57 0.22 0.00 0.00 0.00 0.00 61.98 61.63 1i1q s VAL 59 Cb 0.00 -2.49 0.42 0.00 0.00 0.00 0.00 36.38 34.31 1i1q s VAL 59 CO 0.00 0.55 1.74 -0.65 0.00 0.00 0.00 175.10 176.74 1i1q h PRO 60 N 5.10 0.29 -0.24 2.72 0.11 -1.93 0.03 132.00 138.07 1i1q h PRO 60 Ca -0.48 -0.02 -0.02 0.00 0.11 0.00 0.00 66.00 65.59 1i1q h PRO 60 Cb 1.17 -0.07 -0.01 0.00 0.11 0.00 0.00 31.00 32.20 1i1q h PRO 60 CO 0.52 0.19 0.08 0.66 -0.21 0.00 0.00 178.00 179.25 1i1q h SER 61 N 0.30 0.30 -2.13 -2.05 4.64 -1.97 -2.98 113.55 109.65 1i1q h SER 61 Ca 0.64 -0.02 -0.67 0.00 -0.47 0.00 0.00 61.79 61.26 1i1q h SER 61 Cb 1.78 -0.08 -0.36 0.00 -0.31 0.00 0.00 62.40 63.43 1i1q h SER 61 CO -0.30 0.29 0.00 -1.84 -0.87 0.00 0.00 176.83 174.11 1i1q n GLU 62 N -4.42 3.88 -2.76 4.77 0.28 -0.01 -4.78 120.64 117.60 1i1q n GLU 62 Ca 0.01 -4.63 -0.22 0.00 -0.16 0.00 0.00 57.16 52.16 1i1q n GLU 62 Cb 0.14 -2.31 -0.01 0.00 1.43 0.00 0.00 31.44 30.68 1i1q n GLU 62 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 177.13 176.97 1i1q n ALA 63 N -0.26 4.11 -0.89 -1.84 0.00 -1.13 -4.69 120.51 115.82 1i1q n ALA 63 Ca 0.39 -4.03 0.00 0.00 0.00 0.00 0.00 53.44 49.80 1i1q n ALA 63 Cb 0.38 -0.74 0.00 0.00 0.00 0.00 0.00 19.45 19.09 1i1q n ALA 63 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1i1q n GLY 64 N -0.20 3.15 0.00 0.00 0.00 -1.25 -2.41 105.19 104.47 1i1q n GLY 64 Ca 0.28 -0.22 0.11 0.00 0.00 0.00 0.00 46.02 46.19 1i1q n GLY 64 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1i1q h MET 66 N 0.02 -0.71 -0.31 0.00 -1.53 -1.75 0.63 114.93 111.27 1i1q h MET 66 Ca 0.00 0.05 0.07 0.00 -3.44 0.00 0.00 59.70 56.38 1i1q h MET 66 Cb 0.00 0.16 -0.08 0.00 -0.55 0.00 0.00 31.60 31.13 1i1q h MET 66 CO 0.00 -0.47 -0.34 -1.35 0.14 0.00 0.00 176.91 174.88 1i1q h PRO 67 N -0.74 -0.30 0.00 0.39 0.11 -1.79 0.83 132.00 130.51 1i1q h PRO 67 Ca -0.03 0.02 -0.02 0.00 0.11 0.00 0.00 66.00 66.08 1i1q h PRO 67 Cb 0.66 0.07 -0.00 0.00 0.11 0.00 0.00 31.00 31.84 1i1q h PRO 67 CO -0.06 -0.20 -0.12 1.49 -0.21 0.00 0.00 178.00 178.91 1i1q h GLU 68 N -0.31 0.00 -0.45 1.05 4.81 -1.84 -2.42 114.58 115.42 1i1q h GLU 68 Ca 0.14 0.00 -0.13 0.00 -0.13 0.00 0.00 59.36 59.25 1i1q h GLU 68 Cb 0.55 0.00 -0.01 0.00 0.63 0.00 0.00 28.75 29.92 1i1q h GLU 68 CO -0.49 0.12 -0.21 1.25 -0.73 0.00 0.00 179.01 178.95 1i1q h LEU 69 N 0.00 0.97 -0.29 1.64 5.85 0.15 -1.84 115.31 121.80 1i1q h LEU 69 Ca -0.00 -0.40 -0.19 0.00 0.84 0.00 0.00 57.88 58.13 1i1q h LEU 69 Cb 0.39 -0.27 0.00 0.00 0.37 0.00 0.00 40.66 41.15 1i1q h LEU 69 CO 0.02 1.16 -0.58 -0.07 -0.34 0.00 0.00 178.44 178.63 1i1q h LEU 70 N 0.79 0.97 -0.36 2.25 3.38 -0.82 -1.89 115.31 119.62 1i1q h LEU 70 Ca 0.10 -0.53 -0.00 0.00 0.09 0.00 0.00 57.88 57.54 1i1q h LEU 70 Cb 0.79 -0.28 -0.02 0.00 0.09 0.00 0.00 40.66 41.24 1i1q h LEU 70 CO 0.07 1.33 0.22 0.74 0.09 0.00 0.00 178.44 180.89 1i1q h THR 71 N 0.65 1.12 0.00 0.22 2.02 -1.37 0.36 112.91 115.90 1i1q h THR 71 Ca 0.01 -0.26 0.00 0.00 0.77 0.00 0.00 66.41 66.93 1i1q h THR 71 Cb 1.19 0.63 0.00 0.00 -1.74 0.00 0.00 68.15 68.23 1i1q h THR 71 CO 0.13 0.11 -0.06 0.54 0.37 0.00 0.00 175.52 176.61 1i1q n ARG 72 N -4.80 0.19 -0.01 6.66 1.74 -0.70 -4.27 116.66 115.48 1i1q n ARG 72 Ca -0.00 0.14 0.00 0.00 -0.77 0.00 0.00 57.85 57.23 1i1q n ARG 72 Cb 0.05 -1.71 -0.02 0.00 -1.02 0.00 0.00 32.46 29.75 1i1q n ARG 72 CO 0.00 0.00 0.00 1.28 -1.52 0.00 0.00 177.63 177.39 1i1q n LEU 73 N -2.04 0.00 -4.52 0.55 4.77 -0.71 -4.92 117.00 110.14 1i1q n LEU 73 Ca 0.06 0.00 -0.55 0.00 -0.03 0.00 0.00 56.01 55.49 1i1q n LEU 73 Cb 0.41 0.02 -0.08 0.00 -2.33 0.00 0.00 43.42 41.44 1i1q n LEU 73 CO 0.30 0.02 1.61 -2.11 -1.33 0.00 0.00 177.39 175.88 1i1q n ARG 74 N -1.79 0.94 0.00 3.23 1.85 0.12 0.46 116.66 121.48 1i1q n ARG 74 Ca -0.02 0.30 0.00 0.00 -1.00 0.00 0.00 57.85 57.13 1i1q n ARG 74 Cb 0.27 -2.17 0.00 0.00 -1.05 0.00 0.00 32.46 29.51 1i1q n ARG 74 CO 0.00 0.00 0.00 0.41 -0.01 0.00 0.00 177.63 178.03 1i1q n GLY 75 N 5.79 1.73 0.09 2.89 0.00 -1.26 -4.91 105.19 109.51 1i1q n GLY 75 Ca 0.38 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 46.28 1i1q n GLY 75 CO 0.00 0.00 0.00 1.70 0.00 0.00 0.00 173.32 175.02 1i1q h LYS 76 N 3.07 0.07 -3.12 1.61 3.64 -0.32 -3.49 116.57 118.03 1i1q h LYS 76 Ca 0.00 -0.12 -0.06 0.00 -1.27 0.00 0.00 60.65 59.20 1i1q h LYS 76 Cb 0.00 0.04 -0.15 0.00 -0.41 0.00 0.00 32.23 31.72 1i1q h LYS 76 CO 0.00 0.72 -0.03 -0.48 -2.27 0.00 0.00 179.45 177.39 1i1q s LEU 77 N -6.39 0.21 0.40 5.20 2.34 -1.24 -5.14 118.68 114.06 1i1q s LEU 77 Ca -0.08 -0.09 -0.27 0.00 0.06 0.00 0.00 54.13 53.75 1i1q s LEU 77 Cb 0.08 1.94 -0.10 0.00 -0.56 0.00 0.00 46.19 47.55 1i1q s LEU 77 CO 0.82 -0.78 1.45 -2.16 -1.06 0.00 0.00 176.35 174.62 1i1q s PRO 78 N -3.13 3.97 -0.08 1.48 0.04 -1.26 -4.85 135.00 131.17 1i1q s PRO 78 Ca -0.01 2.48 0.01 0.00 0.04 0.00 0.00 61.00 63.52 1i1q s PRO 78 Cb 0.00 -2.85 0.02 0.00 0.04 0.00 0.00 34.50 31.71 1i1q s PRO 78 CO -0.07 -0.62 -0.10 0.42 0.04 0.00 0.00 177.00 176.68 1i1q s ILE 79 N -1.16 1.04 -0.17 0.56 1.01 -1.02 -1.62 121.20 119.84 1i1q s ILE 79 Ca 0.56 -0.37 0.01 0.00 0.00 0.00 0.00 60.65 60.85 1i1q s ILE 79 Cb -0.45 -0.99 0.02 0.00 0.01 0.00 0.00 42.46 41.04 1i1q s ILE 79 CO 0.60 0.35 -0.20 -0.63 0.00 0.00 0.00 174.94 175.05 1i1q s ILE 80 N 1.07 2.11 -0.00 2.92 1.01 0.17 -1.33 121.20 127.14 1i1q s ILE 80 Ca -0.07 -0.94 0.07 0.00 0.00 0.00 0.00 60.65 59.71 1i1q s ILE 80 Cb -0.14 -1.87 -0.03 0.00 0.01 0.00 0.00 42.46 40.43 1i1q s ILE 80 CO -0.01 0.54 -0.22 -0.83 0.00 0.00 0.00 174.94 174.43 1i1q s GLY 81 N 1.12 1.42 -0.12 6.18 0.00 -0.14 0.09 107.32 115.86 1i1q s GLY 81 Ca 0.01 -1.12 0.02 0.00 0.00 0.00 0.00 44.72 43.62 1i1q s GLY 81 CO -0.09 -0.96 -0.19 -0.42 0.00 0.00 0.00 173.10 171.45 1i1q s ILE 82 N -0.74 1.79 0.00 0.90 1.01 -0.08 -1.20 121.20 122.89 1i1q s ILE 82 Ca 0.12 -0.82 0.00 0.00 0.00 0.00 0.00 60.65 59.94 1i1q s ILE 82 Cb -0.10 -1.61 0.00 0.00 0.01 0.00 0.00 42.46 40.76 1i1q s ILE 82 CO 0.01 0.50 0.00 0.00 0.00 0.00 0.00 174.94 175.45 1i1q h LEU 84 N 0.00 0.32 -0.96 0.00 5.85 -1.81 1.05 115.31 119.76 1i1q h LEU 84 Ca 0.00 0.04 -0.10 0.00 0.84 0.00 0.00 57.88 58.65 1i1q h LEU 84 Cb 0.00 -0.02 -0.01 0.00 0.37 0.00 0.00 40.66 41.00 1i1q h LEU 84 CO 0.00 0.12 -0.50 1.23 -0.34 0.00 0.00 178.44 178.95 1i1q h GLY 85 N 0.31 0.00 2.00 3.75 0.00 -1.35 -2.14 103.07 105.64 1i1q h GLY 85 Ca 0.48 0.00 -0.14 0.00 0.00 0.00 0.00 47.33 47.67 1i1q h GLY 85 CO -0.16 0.00 -0.65 0.84 0.00 0.00 0.00 176.54 176.57 1i1q h HIS 86 N 0.00 0.00 0.01 5.60 -0.00 0.97 -2.66 115.15 119.08 1i1q h HIS 86 Ca -0.00 -0.00 -0.27 0.00 -0.00 0.00 0.00 60.37 60.09 1i1q h HIS 86 Cb 0.92 -0.00 0.02 0.00 -0.00 0.00 0.00 27.41 28.35 1i1q h HIS 86 CO 0.00 0.65 -1.06 1.96 -0.00 0.00 0.00 177.93 179.48 1i1q h GLN 87 N 0.00 0.70 -0.91 5.26 4.20 -0.91 -2.34 115.11 121.11 1i1q h GLN 87 Ca -0.01 -0.77 0.04 0.00 0.06 0.00 0.00 58.65 57.98 1i1q h GLN 87 Cb 1.15 0.22 -0.06 0.00 0.30 0.00 0.00 27.48 29.10 1i1q h GLN 87 CO 0.08 1.34 0.58 0.00 -0.67 0.00 0.00 178.83 180.16 1i1q h ALA 88 N 0.39 1.22 -0.60 3.87 0.00 -1.34 0.24 119.26 123.03 1i1q h ALA 88 Ca -0.14 -0.03 -0.06 0.00 0.00 0.00 0.00 54.91 54.68 1i1q h ALA 88 Cb 1.72 -0.30 -0.03 0.00 0.00 0.00 0.00 17.79 19.19 1i1q h ALA 88 CO 0.21 0.41 0.12 0.82 0.00 0.00 0.00 179.25 180.81 1i1q h ILE 89 N 1.11 1.24 0.32 0.00 2.04 -1.44 0.26 117.51 121.03 1i1q h ILE 89 Ca 0.37 -0.92 -0.02 0.00 1.00 0.00 0.00 64.86 65.30 1i1q h ILE 89 Cb 0.06 0.65 0.00 0.00 -0.74 0.00 0.00 36.82 36.80 1i1q h ILE 89 CO -0.14 0.34 -0.15 0.58 0.00 0.00 0.00 178.15 178.78 1i1q h VAL 90 N 0.90 0.71 -0.84 1.67 2.07 -0.37 -2.77 116.25 117.62 1i1q h VAL 90 Ca 0.19 -0.30 -0.03 0.00 0.82 0.00 0.00 66.70 67.37 1i1q h VAL 90 Cb 0.35 0.88 -0.04 0.00 -1.52 0.00 0.00 31.29 30.96 1i1q h VAL 90 CO 0.00 0.06 0.39 -0.33 0.02 0.00 0.00 177.57 177.72 1i1q h GLU 91 N -0.59 1.21 -0.47 1.57 5.08 -0.54 -2.14 114.58 118.71 1i1q h GLU 91 Ca -0.04 -0.18 0.13 0.00 -1.00 0.00 0.00 59.36 58.26 1i1q h GLU 91 Cb 0.43 -0.22 -0.02 0.00 0.50 0.00 0.00 28.75 29.44 1i1q h GLU 91 CO 0.07 0.94 0.33 0.00 -1.00 0.00 0.00 179.01 179.35 1i1q h ALA 92 N 1.23 2.36 -0.57 3.43 0.00 -0.87 0.82 119.26 125.66 1i1q h ALA 92 Ca 0.29 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.18 1i1q h ALA 92 Cb 0.13 0.02 0.00 0.00 0.00 0.00 0.00 17.79 17.94 1i1q h ALA 92 CO -0.03 -0.49 0.00 0.66 0.00 0.00 0.00 179.25 179.39 1i1q n TYR 93 N -4.42 0.76 -1.38 0.00 4.02 -0.86 -4.99 117.16 110.29 1i1q n TYR 93 Ca 0.08 -0.38 0.00 0.00 -0.01 0.00 0.00 57.90 57.59 1i1q n TYR 93 Cb 0.50 0.00 0.00 0.00 -0.02 0.00 0.00 39.34 39.82 1i1q n TYR 93 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 1i1q n GLY 94 N 1.56 -2.62 3.44 2.72 0.00 0.29 -4.69 105.19 105.88 1i1q n GLY 94 Ca 0.22 -0.31 -0.13 0.00 0.00 0.00 0.00 46.02 45.80 1i1q n GLY 94 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1i1q s GLY 95 N 0.00 -0.61 0.38 -0.02 0.00 -1.08 -4.23 107.32 101.76 1i1q s GLY 95 Ca 0.00 0.62 0.02 0.00 0.00 0.00 0.00 44.72 45.36 1i1q s GLY 95 CO 0.00 0.27 0.57 -0.47 0.00 0.00 0.00 173.10 173.48 1i1q s TYR 96 N -3.39 3.27 -0.29 1.90 5.04 -0.83 -4.31 117.35 118.74 1i1q s TYR 96 Ca -0.01 0.12 -0.14 0.00 -2.44 0.00 0.00 57.07 54.61 1i1q s TYR 96 Cb -0.01 -2.09 0.12 0.00 0.35 0.00 0.00 41.96 40.33 1i1q s TYR 96 CO -0.10 -0.11 0.77 0.54 -1.34 0.00 0.00 175.55 175.30 1i1q s VAL 97 N -2.37 -0.46 0.00 3.14 0.11 -1.26 -0.73 120.40 118.82 1i1q s VAL 97 Ca 0.45 0.00 0.00 0.00 -2.93 0.00 0.00 61.98 59.50 1i1q s VAL 97 Cb -0.10 -1.00 0.00 0.00 -1.53 0.00 0.00 36.38 33.75 1i1q s VAL 97 CO 0.35 0.00 0.00 0.61 -3.33 0.00 0.00 175.10 172.73 1i1q n GLY 98 N 4.77 5.27 3.91 6.54 0.00 -1.26 -5.00 105.19 119.42 1i1q n GLY 98 Ca -0.15 -1.12 -0.29 0.00 0.00 0.00 0.00 46.02 44.47 1i1q n GLY 98 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 1i1q s GLN 99 N 1.93 1.80 0.00 1.61 0.74 -1.26 -4.94 119.66 119.54 1i1q s GLN 99 Ca 0.00 0.00 0.00 0.00 0.05 0.00 0.00 55.36 55.41 1i1q s GLN 99 Cb 0.00 -1.96 0.00 0.00 1.10 0.00 0.00 33.01 32.15 1i1q s GLN 99 CO 0.00 -1.68 0.00 -0.89 -0.55 0.00 0.00 175.29 172.17 1i1q n ILE 103 N -3.34 0.00 -4.52 -2.34 -0.00 -1.26 -5.06 119.36 102.84 1i1q n ILE 103 Ca 0.09 0.00 -0.25 0.00 -0.00 0.00 0.00 62.75 62.59 1i1q n ILE 103 Cb 0.61 0.00 -0.09 0.00 -0.00 0.00 0.00 39.64 40.16 1i1q n ILE 103 CO 0.00 0.00 0.00 -0.76 -0.00 0.00 0.00 176.55 175.79 1i1q s LEU 104 N 0.00 2.09 -0.04 1.39 2.01 -1.26 -5.00 118.68 117.86 1i1q s LEU 104 Ca 0.00 -1.56 0.03 0.00 0.01 0.00 0.00 54.13 52.61 1i1q s LEU 104 Cb 0.00 -0.27 0.00 0.00 0.01 0.00 0.00 46.19 45.93 1i1q s LEU 104 CO 0.00 -0.81 -0.14 -1.00 1.01 0.00 0.00 176.35 175.41 1i1q s HIS 105 N -3.21 1.45 0.00 0.29 3.76 -1.26 -3.99 115.29 112.33 1i1q s HIS 105 Ca 0.27 -0.43 0.00 0.00 -0.15 0.00 0.00 55.06 54.75 1i1q s HIS 105 Cb 0.05 -1.01 0.00 0.00 1.11 0.00 0.00 32.58 32.73 1i1q s HIS 105 CO 0.14 -0.17 0.00 0.41 -0.85 0.00 0.00 174.74 174.27 1i1q n GLY 106 N 3.31 0.59 3.53 -2.22 0.00 -1.17 -5.03 105.19 104.20 1i1q n GLY 106 Ca -0.19 -0.45 -0.12 0.00 0.00 0.00 0.00 46.02 45.26 1i1q n GLY 106 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1i1q s LYS 107 N -3.45 0.82 0.21 1.61 -2.85 -1.26 -5.06 119.74 109.75 1i1q s LYS 107 Ca 0.00 0.04 0.02 0.00 -1.00 0.00 0.00 55.97 55.02 1i1q s LYS 107 Cb 0.00 0.38 -0.04 0.00 -2.06 0.00 0.00 37.83 36.12 1i1q s LYS 107 CO 0.00 -0.29 0.37 0.00 0.10 0.00 0.00 175.35 175.53 1i1q s ALA 108 N -1.75 3.88 -0.04 0.59 0.00 -1.26 -2.59 121.76 120.58 1i1q s ALA 108 Ca -0.03 -1.00 -0.13 0.00 0.00 0.00 0.00 51.96 50.80 1i1q s ALA 108 Cb -0.00 -1.88 0.02 0.00 0.00 0.00 0.00 23.12 21.26 1i1q s ALA 108 CO 0.01 0.36 0.29 0.95 0.00 0.00 0.00 175.76 177.37 1i1q s THR 109 N -1.91 0.04 -0.25 0.00 -4.23 -0.95 -4.93 115.64 103.41 1i1q s THR 109 Ca 0.36 -0.36 -0.23 0.00 -1.18 0.00 0.00 61.69 60.28 1i1q s THR 109 Cb -0.10 -0.54 -0.01 0.00 1.34 0.00 0.00 72.50 73.18 1i1q s THR 109 CO 0.30 -0.20 0.77 -0.44 -0.54 0.00 0.00 174.62 174.51 1i1q s SER 110 N -0.89 6.75 0.20 3.99 0.01 -1.26 -1.62 113.70 120.88 1i1q s SER 110 Ca -0.10 0.92 0.05 0.00 1.31 0.00 0.00 55.95 58.14 1i1q s SER 110 Cb -0.05 -2.41 -0.04 0.00 0.21 0.00 0.00 66.02 63.74 1i1q s SER 110 CO 0.03 -0.48 0.22 0.27 0.41 0.00 0.00 173.24 173.69 1i1q s ILE 111 N 2.75 4.78 -0.19 1.44 -4.36 -0.44 -4.76 121.20 120.41 1i1q s ILE 111 Ca 0.32 -1.07 -0.07 0.00 -0.26 0.00 0.00 60.65 59.57 1i1q s ILE 111 Cb -0.15 -3.50 -0.04 0.00 1.25 0.00 0.00 42.46 40.01 1i1q s ILE 111 CO 0.08 -0.20 0.06 -1.61 0.24 0.00 0.00 174.94 173.50 1i1q s GLU 112 N -3.46 3.90 0.38 0.37 2.02 -0.03 -0.53 118.70 121.35 1i1q s GLU 112 Ca 0.33 -0.38 0.06 0.00 0.02 0.00 0.00 54.97 55.00 1i1q s GLU 112 Cb -0.10 -3.22 -0.07 0.00 0.10 0.00 0.00 34.13 30.84 1i1q s GLU 112 CO 0.26 0.19 0.02 -3.38 0.02 0.00 0.00 175.26 172.37 1i1q s HIS 113 N 0.59 2.34 -1.54 1.61 -3.43 -1.26 -0.52 115.29 113.09 1i1q s HIS 113 Ca 0.03 -0.76 0.30 0.00 -0.80 0.00 0.00 55.06 53.83 1i1q s HIS 113 Cb -0.13 -1.62 1.47 0.00 -1.43 0.00 0.00 32.58 30.87 1i1q s HIS 113 CO 0.01 0.31 2.01 -0.40 -2.00 0.00 0.00 174.74 174.68 1i1q n ASP 114 N -0.88 0.14 -0.15 7.38 5.68 -0.82 -4.91 116.55 122.98 1i1q n ASP 114 Ca -0.04 -0.34 -0.02 0.00 -0.50 0.00 0.00 54.79 53.89 1i1q n ASP 114 Cb 0.67 -0.20 -0.01 0.00 -1.14 0.00 0.00 41.12 40.44 1i1q n ASP 114 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1i1q n GLY 115 N 1.26 0.46 3.86 6.12 0.00 -1.26 -5.01 105.19 110.63 1i1q n GLY 115 Ca 0.15 -0.14 -0.21 0.00 0.00 0.00 0.00 46.02 45.81 1i1q n GLY 115 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1i1q s GLN 116 N -1.28 2.99 4.68 1.61 1.11 -1.26 -3.48 119.66 124.03 1i1q s GLN 116 Ca 0.00 -1.04 0.00 0.00 0.01 0.00 0.00 55.36 54.33 1i1q s GLN 116 Cb 0.00 -2.62 0.00 0.00 -1.01 0.00 0.00 33.01 29.38 1i1q s GLN 116 CO 0.00 0.33 0.00 0.00 0.01 0.00 0.00 175.29 175.63 1i1q n ALA 117 N -1.28 0.00 0.26 6.09 0.00 -1.26 -1.43 120.51 122.90 1i1q n ALA 117 Ca -0.07 0.00 0.16 0.00 0.00 0.00 0.00 53.44 53.54 1i1q n ALA 117 Cb 0.58 0.00 0.90 0.00 0.00 0.00 0.00 19.45 20.93 1i1q n ALA 117 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1i1q h MET 118 N 0.00 0.00 -0.01 0.00 -0.00 -1.94 -0.97 114.93 112.02 1i1q h MET 118 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 59.70 59.70 1i1q h MET 118 Cb 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 31.60 31.60 1i1q h MET 118 CO 0.00 0.00 -0.06 1.19 -0.00 0.00 0.00 176.91 178.04 1i1q n PHE 119 N -3.76 0.00 -2.01 -0.10 3.72 -0.51 -4.69 117.46 110.12 1i1q n PHE 119 Ca -0.01 0.00 -0.42 0.00 -0.05 0.00 0.00 57.45 56.97 1i1q n PHE 119 Cb 0.19 -0.04 -0.03 0.00 -0.94 0.00 0.00 39.48 38.66 1i1q n PHE 119 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 1i1q s ALA 120 N -2.15 3.71 0.00 4.37 0.00 -0.37 -2.90 121.76 124.42 1i1q s ALA 120 Ca 0.36 1.30 0.00 0.00 0.00 0.00 0.00 51.96 53.62 1i1q s ALA 120 Cb 0.21 -3.59 0.00 0.00 0.00 0.00 0.00 23.12 19.74 1i1q s ALA 120 CO 0.39 -0.73 0.00 0.41 0.00 0.00 0.00 175.76 175.83 1i1q n GLY 121 N 3.42 1.39 3.87 0.00 0.00 -1.26 -5.01 105.19 107.60 1i1q n GLY 121 Ca 0.12 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.82 1i1q n GLY 121 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1i1q s LEU 122 N 0.00 4.17 0.02 0.99 1.43 -1.14 -5.00 118.68 119.15 1i1q s LEU 122 Ca 0.00 0.94 -0.38 0.00 -1.03 0.00 0.00 54.13 53.65 1i1q s LEU 122 Cb 0.00 -3.69 -0.18 0.00 0.03 0.00 0.00 46.19 42.35 1i1q s LEU 122 CO 0.00 -0.08 1.24 0.00 0.23 0.00 0.00 176.35 177.75 1i1q n ALA 123 N -0.13 -2.13 -1.00 4.21 0.00 -1.26 -4.90 120.51 115.30 1i1q n ALA 123 Ca 0.01 0.55 0.00 0.00 0.00 0.00 0.00 53.44 53.99 1i1q n ALA 123 Cb 0.52 -1.94 0.00 0.00 0.00 0.00 0.00 19.45 18.04 1i1q n ALA 123 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 1i1q n ASN 124 N 2.19 0.00 -4.60 0.00 5.03 -1.26 -3.12 115.26 113.51 1i1q n ASN 124 Ca 0.20 0.44 -0.43 0.00 0.87 0.00 0.00 54.58 55.66 1i1q n ASN 124 Cb 0.13 0.00 -0.02 0.00 -1.02 0.00 0.00 39.78 38.87 1i1q n ASN 124 CO 0.00 0.00 0.00 -2.16 -1.83 0.00 0.00 177.26 173.27 1i1q s PRO 125 N -0.89 3.53 -0.32 3.52 0.04 -1.26 -4.33 135.00 135.29 1i1q s PRO 125 Ca 0.00 0.79 -0.20 0.00 0.04 0.00 0.00 61.00 61.63 1i1q s PRO 125 Cb 0.00 -4.03 -0.00 0.00 0.04 0.00 0.00 34.50 30.50 1i1q s PRO 125 CO 0.00 -1.63 0.63 -1.17 0.04 0.00 0.00 177.00 174.88 1i1q s LEU 126 N 5.46 4.18 -0.09 -3.56 2.96 0.31 -4.71 118.68 123.24 1i1q s LEU 126 Ca 0.58 0.32 -0.29 0.00 -0.22 0.00 0.00 54.13 54.52 1i1q s LEU 126 Cb -0.12 -2.80 -0.05 0.00 0.50 0.00 0.00 46.19 43.72 1i1q s LEU 126 CO 0.31 -0.52 1.61 -2.84 -1.32 0.00 0.00 176.35 173.59 1i1q s PRO 127 N 2.65 4.12 0.11 0.98 0.02 -1.26 -1.33 135.00 140.29 1i1q s PRO 127 Ca 0.25 2.05 0.04 0.00 0.02 0.00 0.00 61.00 63.36 1i1q s PRO 127 Cb -0.15 -3.97 -0.04 0.00 0.02 0.00 0.00 34.50 30.36 1i1q s PRO 127 CO 0.13 -0.91 -0.10 0.14 -0.33 0.00 0.00 177.00 175.93 1i1q s VAL 128 N 4.19 1.00 0.03 3.83 -7.23 -0.64 -4.20 120.40 117.39 1i1q s VAL 128 Ca 0.71 -1.77 -0.26 0.00 -1.81 0.00 0.00 61.98 58.85 1i1q s VAL 128 Cb -0.31 -1.51 -0.05 0.00 0.56 0.00 0.00 36.38 35.07 1i1q s VAL 128 CO 0.28 -0.62 0.83 0.00 -0.31 0.00 0.00 175.10 175.27 1i1q s ALA 129 N -2.73 3.31 0.05 1.32 0.00 -1.26 -2.24 121.76 120.21 1i1q s ALA 129 Ca 0.09 0.36 0.08 0.00 0.00 0.00 0.00 51.96 52.49 1i1q s ALA 129 Cb -0.01 -3.10 -0.03 0.00 0.00 0.00 0.00 23.12 19.99 1i1q s ALA 129 CO -0.00 -0.02 -0.23 1.03 0.00 0.00 0.00 175.76 176.54 1i1q s ARG 130 N 0.24 1.49 0.00 0.00 0.52 -1.07 -2.11 118.95 118.02 1i1q s ARG 130 Ca 0.42 -1.01 0.00 0.00 -0.52 0.00 0.00 55.73 54.62 1i1q s ARG 130 Cb -0.21 -1.64 0.00 0.00 0.52 0.00 0.00 34.95 33.62 1i1q s ARG 130 CO 0.24 0.42 0.00 0.66 0.02 0.00 0.00 175.30 176.64 1i1q n TYR 131 N 1.75 0.00 0.00 -0.53 4.01 -1.26 -3.06 117.16 118.08 1i1q n TYR 131 Ca -0.17 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.57 1i1q n TYR 131 Cb 0.53 0.00 0.00 0.00 -0.31 0.00 0.00 39.34 39.56 1i1q n TYR 131 CO 0.00 0.00 0.00 -2.39 -0.46 0.00 0.00 176.86 174.01 1i1q n HIS 132 N -0.10 0.00 0.00 -0.72 1.44 -1.26 -4.46 115.22 110.12 1i1q n HIS 132 Ca 0.00 0.00 0.00 0.00 -2.01 0.00 0.00 57.72 55.71 1i1q n HIS 132 Cb 0.00 0.00 0.00 0.00 0.12 0.00 0.00 29.99 30.11 1i1q n HIS 132 CO 0.00 0.00 0.00 -1.13 -2.81 0.00 0.00 176.34 172.40 1i1q n SER 133 N -0.23 0.00 0.00 4.39 3.41 -1.26 -4.89 113.62 115.03 1i1q n SER 133 Ca 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.61 1i1q n SER 133 Cb 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 63.95 1i1q n SER 133 CO 0.00 0.00 0.00 -1.54 -0.16 0.00 0.00 175.04 173.34 1i1q n SER 137 N 0.00 0.00 -2.33 4.04 3.41 0.09 -4.47 113.62 114.36 1i1q n SER 137 Ca 0.00 0.00 -0.01 0.00 -0.26 0.00 0.00 58.87 58.60 1i1q n SER 137 Cb 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 63.95 1i1q n SER 137 CO 0.00 0.00 0.00 0.59 -0.16 0.00 0.00 175.04 175.47 1i1q n ASN 138 N 0.00 -5.24 -4.67 4.04 3.02 -1.26 -1.96 115.26 109.19 1i1q n ASN 138 Ca 0.00 0.05 -0.40 0.00 -0.03 0.00 0.00 54.58 54.20 1i1q n ASN 138 Cb 0.00 -3.40 -0.06 0.00 -0.61 0.00 0.00 39.78 35.71 1i1q n ASN 138 CO 0.00 0.00 0.00 -0.69 -2.62 0.00 0.00 177.26 173.95 1i1q s VAL 139 N -2.71 5.05 0.75 2.41 1.01 -1.26 -4.19 120.40 121.46 1i1q s VAL 139 Ca 0.04 1.18 -0.13 0.00 0.00 0.00 0.00 61.98 63.07 1i1q s VAL 139 Cb -0.01 -3.94 0.19 0.00 0.00 0.00 0.00 36.38 32.63 1i1q s VAL 139 CO 0.42 0.15 0.53 -2.65 0.00 0.00 0.00 175.10 173.55 1i1q n PRO 140 N 4.75 -3.03 -2.61 2.72 -0.02 -1.26 -4.97 135.00 130.57 1i1q n PRO 140 Ca -0.02 -0.86 -0.30 0.00 -2.02 0.00 0.00 63.50 60.29 1i1q n PRO 140 Cb 0.50 -0.98 -0.02 0.00 -0.02 0.00 0.00 33.50 32.98 1i1q n PRO 140 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1i1q s ALA 141 N -2.44 3.27 0.00 3.55 0.00 -1.26 -3.74 121.76 121.14 1i1q s ALA 141 Ca 0.38 -0.16 0.00 0.00 0.00 0.00 0.00 51.96 52.17 1i1q s ALA 141 Cb -0.05 -2.81 0.00 0.00 0.00 0.00 0.00 23.12 20.25 1i1q s ALA 141 CO 0.30 -0.19 0.00 0.41 0.00 0.00 0.00 175.76 176.28 1i1q n GLY 142 N -1.69 2.14 3.08 0.00 0.00 -1.26 -4.98 105.19 102.48 1i1q n GLY 142 Ca 0.03 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.72 1i1q n GLY 142 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 1i1q s LEU 143 N 0.00 4.69 0.10 0.99 2.96 -1.25 -4.66 118.68 121.52 1i1q s LEU 143 Ca 0.00 -1.93 -0.30 0.00 -0.22 0.00 0.00 54.13 51.68 1i1q s LEU 143 Cb 0.00 -1.70 -0.06 0.00 0.50 0.00 0.00 46.19 44.93 1i1q s LEU 143 CO 0.00 -0.40 1.20 -0.89 -1.32 0.00 0.00 176.35 174.93 1i1q s THR 144 N 1.05 3.90 -0.83 3.68 2.01 -0.43 -4.78 115.64 120.23 1i1q s THR 144 Ca 0.06 1.43 -0.19 0.00 0.31 0.00 0.00 61.69 63.30 1i1q s THR 144 Cb -0.20 -3.91 0.13 0.00 0.01 0.00 0.00 72.50 68.52 1i1q s THR 144 CO -0.06 0.15 1.00 -0.63 -0.69 0.00 0.00 174.62 174.39 1i1q s ILE 145 N 0.73 4.79 -2.05 1.82 1.09 -1.26 -1.01 121.20 125.31 1i1q s ILE 145 Ca 0.57 -1.43 0.12 0.00 -1.10 0.00 0.00 60.65 58.81 1i1q s ILE 145 Cb -0.30 -4.69 0.31 0.00 -1.06 0.00 0.00 42.46 36.71 1i1q s ILE 145 CO 0.31 -1.39 1.30 -0.46 -0.10 0.00 0.00 174.94 174.59 1i1q n ASN 146 N 6.38 1.54 -3.61 3.58 6.94 -1.11 -4.90 115.26 124.09 1i1q n ASN 146 Ca 0.14 -1.93 -0.10 0.00 -0.02 0.00 0.00 54.58 52.68 1i1q n ASN 146 Cb 0.47 -0.17 -0.06 0.00 -2.36 0.00 0.00 39.78 37.66 1i1q n ASN 146 CO 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 177.26 176.23 1i1q s ALA 147 N -1.65 -1.96 0.29 -2.53 0.00 -1.23 -1.95 121.76 112.72 1i1q s ALA 147 Ca 0.22 1.73 -0.13 0.00 0.00 0.00 0.00 51.96 53.78 1i1q s ALA 147 Cb 0.12 -1.08 0.01 0.00 0.00 0.00 0.00 23.12 22.16 1i1q s ALA 147 CO 0.16 -0.27 0.57 -3.38 0.00 0.00 0.00 175.76 172.84 1i1q s HIS 148 N -0.44 0.32 -0.23 0.00 -3.43 0.33 -1.41 115.29 110.42 1i1q s HIS 148 Ca 0.01 -0.73 -0.04 0.00 -0.80 0.00 0.00 55.06 53.51 1i1q s HIS 148 Cb -0.03 0.35 0.09 0.00 -1.43 0.00 0.00 32.58 31.56 1i1q s HIS 148 CO -0.03 -1.14 0.19 0.12 -2.00 0.00 0.00 174.74 171.88 1i1q s PHE 149 N -3.62 -0.08 0.00 0.38 5.36 -0.43 -0.86 117.98 118.74 1i1q s PHE 149 Ca 0.20 -0.20 0.00 0.00 -0.96 0.00 0.00 56.93 55.97 1i1q s PHE 149 Cb -0.02 -0.57 0.00 0.00 -0.34 0.00 0.00 43.02 42.09 1i1q s PHE 149 CO 0.11 -0.69 0.00 0.09 -1.46 0.00 0.00 175.22 173.27 1i1q n ASN 150 N 5.29 0.00 0.00 6.13 3.02 -1.26 -1.66 115.26 126.79 1i1q n ASN 150 Ca -0.05 0.00 0.00 0.00 -0.03 0.00 0.00 54.58 54.50 1i1q n ASN 150 Cb 0.47 0.00 0.00 0.00 -0.61 0.00 0.00 39.78 39.64 1i1q n ASN 150 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1i1q n GLY 151 N 0.00 1.00 3.84 7.41 0.00 -1.26 -5.12 105.19 111.05 1i1q n GLY 151 Ca 0.00 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.65 1i1q n GLY 151 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 1i1q s MET 152 N 0.00 3.95 0.10 1.61 -1.94 -0.66 -5.05 119.30 117.30 1i1q s MET 152 Ca 0.00 0.45 -0.31 0.00 -1.71 0.00 0.00 55.69 54.12 1i1q s MET 152 Cb 0.00 -3.16 -0.07 0.00 2.01 0.00 0.00 34.83 33.62 1i1q s MET 152 CO 0.00 0.64 1.27 0.08 -0.01 0.00 0.00 175.02 177.00 1i1q s VAL 153 N -1.18 3.71 -0.08 -6.03 1.01 -1.26 -1.31 120.40 115.26 1i1q s VAL 153 Ca 0.28 1.25 0.06 0.00 0.00 0.00 0.00 61.98 63.57 1i1q s VAL 153 Cb -0.17 -3.80 -0.08 0.00 0.00 0.00 0.00 36.38 32.33 1i1q s VAL 153 CO 0.16 0.11 0.16 0.23 0.00 0.00 0.00 175.10 175.76 1i1q n MET 154 N 3.75 1.51 -3.51 2.72 2.00 -0.50 -4.79 117.12 118.29 1i1q n MET 154 Ca 0.09 -0.04 -0.16 0.00 0.00 0.00 0.00 57.70 57.60 1i1q n MET 154 Cb 0.45 -1.04 -0.05 0.00 0.00 0.00 0.00 33.22 32.58 1i1q n MET 154 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 175.97 175.97 1i1q s ALA 155 N -2.17 -1.77 0.00 3.04 0.00 -1.12 0.36 121.76 120.10 1i1q s ALA 155 Ca -0.01 1.21 -0.11 0.00 0.00 0.00 0.00 51.96 53.06 1i1q s ALA 155 Cb 0.04 0.07 0.01 0.00 0.00 0.00 0.00 23.12 23.23 1i1q s ALA 155 CO 0.24 -0.44 0.21 0.14 0.00 0.00 0.00 175.76 175.91 1i1q s VAL 156 N -1.66 0.08 0.00 0.00 -7.23 -0.84 -2.74 120.40 108.01 1i1q s VAL 156 Ca -0.07 -0.64 -0.12 0.00 -1.81 0.00 0.00 61.98 59.33 1i1q s VAL 156 Cb -0.00 -0.58 0.02 0.00 0.56 0.00 0.00 36.38 36.38 1i1q s VAL 156 CO 0.05 -0.35 0.26 0.00 -0.31 0.00 0.00 175.10 174.74 1i1q s ARG 157 N -1.56 0.65 -0.30 4.82 1.70 -0.18 -0.88 118.95 123.20 1i1q s ARG 157 Ca -0.13 -0.33 0.01 0.00 -0.47 0.00 0.00 55.73 54.81 1i1q s ARG 157 Cb -0.06 0.28 0.09 0.00 -0.57 0.00 0.00 34.95 34.69 1i1q s ARG 157 CO 0.02 -0.18 0.04 -1.58 -1.08 0.00 0.00 175.30 172.52 1i1q s HIS 158 N -1.64 2.62 0.33 5.89 2.46 0.65 -1.31 115.29 124.28 1i1q s HIS 158 Ca -0.12 -2.19 0.06 0.00 0.47 0.00 0.00 55.06 53.28 1i1q s HIS 158 Cb -0.05 -2.11 0.72 0.00 -0.13 0.00 0.00 32.58 31.00 1i1q s HIS 158 CO 0.02 -0.88 1.86 -0.44 -2.47 0.00 0.00 174.74 172.83 1i1q h ASP 159 N 7.88 0.76 0.06 9.88 3.45 -1.84 0.19 116.42 136.81 1i1q h ASP 159 Ca -0.11 0.04 -0.00 0.00 0.43 0.00 0.00 57.03 57.39 1i1q h ASP 159 Cb 1.03 -0.11 0.00 0.00 -0.56 0.00 0.00 39.33 39.69 1i1q h ASP 159 CO 0.47 0.39 -0.03 0.00 -1.57 0.00 0.00 179.24 178.51 1i1q h ALA 160 N 1.58 -0.08 0.00 3.45 0.00 -1.94 -3.29 119.26 118.98 1i1q h ALA 160 Ca 0.47 -0.27 0.00 0.00 0.00 0.00 0.00 54.91 55.11 1i1q h ALA 160 Cb 0.63 0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.45 1i1q h ALA 160 CO -0.23 -0.26 0.00 -0.25 0.00 0.00 0.00 179.25 178.51 1i1q n ASP 161 N -4.86 0.29 -3.12 0.00 8.00 -1.11 -4.93 116.55 110.82 1i1q n ASP 161 Ca -0.09 0.53 -0.16 0.00 0.71 0.00 0.00 54.79 55.78 1i1q n ASP 161 Cb 0.28 -0.61 0.08 0.00 -0.02 0.00 0.00 41.12 40.85 1i1q n ASP 161 CO 0.00 0.00 0.00 0.54 -0.39 0.00 0.00 177.20 177.35 1i1q n ARG 162 N -1.78 -6.08 -4.31 -1.24 5.12 0.64 -4.50 116.66 104.50 1i1q n ARG 162 Ca 0.06 0.73 -0.24 0.00 -1.93 0.00 0.00 57.85 56.47 1i1q n ARG 162 Cb 0.35 -5.42 -0.12 0.00 -1.16 0.00 0.00 32.46 26.11 1i1q n ARG 162 CO 0.00 0.00 0.00 0.14 -1.93 0.00 0.00 177.63 175.84 1i1q s VAL 163 N -3.30 1.82 -0.01 1.55 -7.23 -1.10 -2.43 120.40 109.71 1i1q s VAL 163 Ca 0.15 -1.67 -0.28 0.00 -1.81 0.00 0.00 61.98 58.37 1i1q s VAL 163 Cb -0.07 -1.69 0.08 0.00 0.56 0.00 0.00 36.38 35.26 1i1q s VAL 163 CO 0.63 -0.10 0.74 0.00 -0.31 0.00 0.00 175.10 176.06 1i1q s GLY 165 N -1.75 0.27 -0.02 0.00 0.00 -0.06 -0.96 107.32 104.80 1i1q s GLY 165 Ca -0.04 -0.77 0.04 0.00 0.00 0.00 0.00 44.72 43.95 1i1q s GLY 165 CO 0.00 -0.90 -0.15 -1.36 0.00 0.00 0.00 173.10 170.70 1i1q s PHE 166 N -2.96 1.37 -2.56 1.90 0.40 -0.34 -1.98 117.98 113.82 1i1q s PHE 166 Ca -0.02 -0.30 0.27 0.00 -0.60 0.00 0.00 56.93 56.28 1i1q s PHE 166 Cb 0.01 -0.90 0.93 0.00 0.51 0.00 0.00 43.02 43.57 1i1q s PHE 166 CO -0.06 -0.07 1.68 0.94 0.70 0.00 0.00 175.22 178.41 1i1q n GLN 167 N 2.89 1.75 -4.48 0.44 -0.06 0.16 0.28 117.38 118.36 1i1q n GLN 167 Ca -0.16 -1.09 -0.27 0.00 -2.00 0.00 0.00 57.00 53.48 1i1q n GLN 167 Cb 0.54 -1.48 -0.10 0.00 -4.06 0.00 0.00 30.24 25.15 1i1q n GLN 167 CO 0.00 0.00 0.00 -0.59 -0.20 0.00 0.00 177.06 176.27 1i1q s PHE 168 N -1.99 2.54 -0.51 3.69 -0.12 -1.26 -4.67 117.98 115.66 1i1q s PHE 168 Ca 0.37 -0.63 -0.16 0.00 -0.05 0.00 0.00 56.93 56.45 1i1q s PHE 168 Cb 0.21 -1.80 0.10 0.00 -0.63 0.00 0.00 43.02 40.89 1i1q s PHE 168 CO 0.33 0.39 0.48 -1.01 -0.05 0.00 0.00 175.22 175.36 1i1q s HIS 169 N -2.67 3.21 -0.46 3.49 3.76 -0.90 -4.54 115.29 117.18 1i1q s HIS 169 Ca 0.36 -1.03 0.26 0.00 -0.15 0.00 0.00 55.06 54.50 1i1q s HIS 169 Cb 0.08 -3.51 0.96 0.00 1.11 0.00 0.00 32.58 31.21 1i1q s HIS 169 CO 0.19 -0.95 1.76 -1.00 -0.85 0.00 0.00 174.74 173.90 1i1q h PRO 170 N 8.87 0.00 -0.00 8.40 0.13 -1.90 -3.04 132.00 144.45 1i1q h PRO 170 Ca -0.29 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.84 1i1q h PRO 170 Cb 1.10 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.23 1i1q h PRO 170 CO 0.97 0.00 -0.24 -0.85 -0.23 0.00 0.00 178.00 177.64 1i1q n GLU 171 N -2.40 0.56 -2.63 0.86 0.00 -1.26 -4.16 120.64 111.61 1i1q n GLU 171 Ca 0.03 -0.27 -0.34 0.00 0.00 0.00 0.00 57.16 56.57 1i1q n GLU 171 Cb 0.31 -1.49 -0.05 0.00 0.00 0.00 0.00 31.44 30.21 1i1q n GLU 171 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.13 177.58 1i1q s SER 172 N -2.63 6.56 0.60 -1.84 0.15 -1.15 -4.85 113.70 110.54 1i1q s SER 172 Ca 0.22 1.87 0.36 0.00 0.70 0.00 0.00 55.95 59.10 1i1q s SER 172 Cb 0.19 -2.56 1.88 0.00 -1.71 0.00 0.00 66.02 63.82 1i1q s SER 172 CO 0.54 -0.63 2.20 -0.29 1.20 0.00 0.00 173.24 176.27 1i1q h ILE 173 N 1.73 0.22 0.00 6.45 2.10 -1.91 -1.85 117.51 124.26 1i1q h ILE 173 Ca -0.49 -0.25 -0.01 0.00 1.08 0.00 0.00 64.86 65.18 1i1q h ILE 173 Cb 1.21 1.20 -0.00 0.00 -1.09 0.00 0.00 36.82 38.14 1i1q h ILE 173 CO 0.60 0.03 -0.05 -0.07 -1.08 0.00 0.00 178.15 177.58 1i1q h LEU 174 N 0.00 0.00 -7.85 2.19 3.38 -1.92 -3.37 115.31 107.74 1i1q h LEU 174 Ca -0.00 0.00 -0.74 0.00 0.09 0.00 0.00 57.88 57.23 1i1q h LEU 174 Cb 0.20 0.00 -0.22 0.00 0.09 0.00 0.00 40.66 40.73 1i1q h LEU 174 CO 0.00 0.05 0.60 -0.89 0.09 0.00 0.00 178.44 178.29 1i1q s THR 175 N -3.47 5.21 0.25 0.22 2.01 -0.70 -4.40 115.64 114.77 1i1q s THR 175 Ca 0.03 -2.21 -0.05 0.00 0.31 0.00 0.00 61.69 59.77 1i1q s THR 175 Cb 0.08 -4.67 0.28 0.00 0.01 0.00 0.00 72.50 68.19 1i1q s THR 175 CO 0.61 -1.32 1.64 0.74 -0.69 0.00 0.00 174.62 175.61 1i1q h THR 176 N 5.10 0.36 -0.70 -0.82 2.02 -1.74 -1.10 112.91 116.02 1i1q h THR 176 Ca 0.16 -0.05 -0.18 0.00 0.77 0.00 0.00 66.41 67.11 1i1q h THR 176 Cb 1.00 0.21 -0.11 0.00 -1.74 0.00 0.00 68.15 67.50 1i1q h THR 176 CO 0.99 0.03 0.22 0.00 0.37 0.00 0.00 175.52 177.13 1i1q n GLN 177 N -5.30 3.81 -0.36 6.66 6.02 -1.26 -4.66 117.38 122.29 1i1q n GLN 177 Ca 0.15 -3.10 0.05 0.00 -0.01 0.00 0.00 57.00 54.09 1i1q n GLN 177 Cb 0.50 -2.21 0.22 0.00 1.02 0.00 0.00 30.24 29.78 1i1q n GLN 177 CO 0.00 0.00 0.00 0.78 -1.01 0.00 0.00 177.06 176.83 1i1q h GLY 178 N 2.77 1.54 0.88 1.08 0.00 -1.36 -2.18 103.07 105.80 1i1q h GLY 178 Ca 0.23 -0.44 -0.02 0.00 0.00 0.00 0.00 47.33 47.09 1i1q h GLY 178 CO 0.69 0.25 0.08 0.00 0.00 0.00 0.00 176.54 177.56 1i1q h ALA 179 N 1.50 0.33 -0.36 3.60 0.00 -1.83 -2.01 119.26 120.50 1i1q h ALA 179 Ca 0.46 -0.15 0.00 0.00 0.00 0.00 0.00 54.91 55.22 1i1q h ALA 179 Cb 0.33 -0.10 -0.02 0.00 0.00 0.00 0.00 17.79 18.00 1i1q h ALA 179 CO -0.21 -0.04 0.23 -0.09 0.00 0.00 0.00 179.25 179.14 1i1q h ARG 180 N 0.24 0.48 -0.32 0.00 2.43 -1.86 -1.30 114.38 114.05 1i1q h ARG 180 Ca 0.08 -0.04 0.06 0.00 -0.81 0.00 0.00 59.98 59.27 1i1q h ARG 180 Cb 0.24 -0.10 -0.06 0.00 -0.42 0.00 0.00 29.97 29.63 1i1q h ARG 180 CO -0.00 0.34 -0.05 1.25 -1.51 0.00 0.00 179.97 180.00 1i1q h LEU 181 N 0.47 -0.23 -0.63 3.80 5.85 -1.31 -0.12 115.31 123.15 1i1q h LEU 181 Ca 0.13 0.09 -0.01 0.00 0.84 0.00 0.00 57.88 58.93 1i1q h LEU 181 Cb -0.02 0.17 -0.03 0.00 0.37 0.00 0.00 40.66 41.14 1i1q h LEU 181 CO -0.03 -0.07 0.36 0.25 -0.34 0.00 0.00 178.44 178.61 1i1q h LEU 182 N 0.04 0.77 -0.67 2.25 7.12 -1.12 -1.15 115.31 122.55 1i1q h LEU 182 Ca 0.15 -0.08 -0.08 0.00 0.13 0.00 0.00 57.88 58.00 1i1q h LEU 182 Cb 0.22 -0.20 -0.03 0.00 -0.53 0.00 0.00 40.66 40.13 1i1q h LEU 182 CO -0.30 0.63 0.11 -0.33 -0.13 0.00 0.00 178.44 178.42 1i1q h GLU 183 N 0.85 1.10 0.00 1.25 4.39 -0.70 -1.58 114.58 119.89 1i1q h GLU 183 Ca 0.22 -0.30 -0.02 0.00 0.34 0.00 0.00 59.36 59.60 1i1q h GLU 183 Cb 0.02 -0.13 -0.00 0.00 -0.10 0.00 0.00 28.75 28.53 1i1q h GLU 183 CO -0.04 1.01 -0.11 1.96 -1.16 0.00 0.00 179.01 180.67 1i1q h GLN 184 N 1.03 0.00 0.04 2.33 4.20 -0.76 -1.95 115.11 119.99 1i1q h GLN 184 Ca 0.20 0.00 -0.27 0.00 0.06 0.00 0.00 58.65 58.64 1i1q h GLN 184 Cb 0.44 0.00 0.02 0.00 0.30 0.00 0.00 27.48 28.24 1i1q h GLN 184 CO 0.01 0.11 -1.11 1.15 -0.67 0.00 0.00 178.83 178.33 1i1q h THR 185 N 0.00 1.30 -0.34 -0.54 2.02 -0.46 -2.55 112.91 112.34 1i1q h THR 185 Ca -0.00 -2.37 -0.15 0.00 0.77 0.00 0.00 66.41 64.67 1i1q h THR 185 Cb 0.52 2.50 -0.01 0.00 -1.74 0.00 0.00 68.15 69.43 1i1q h THR 185 CO 0.01 0.72 -0.37 -0.07 0.37 0.00 0.00 175.52 176.19 1i1q h LEU 186 N 0.33 0.85 -1.19 2.58 3.38 -1.00 0.14 115.31 120.40 1i1q h LEU 186 Ca -0.14 -0.38 -0.07 0.00 0.09 0.00 0.00 57.88 57.39 1i1q h LEU 186 Cb 1.77 -0.24 -0.01 0.00 0.09 0.00 0.00 40.66 42.26 1i1q h LEU 186 CO 0.21 1.13 -0.13 0.00 0.09 0.00 0.00 178.44 179.73 1i1q h ALA 187 N 0.92 1.32 -0.10 1.53 0.00 -1.42 -1.93 119.26 119.58 1i1q h ALA 187 Ca 0.06 -0.25 -0.15 0.00 0.00 0.00 0.00 54.91 54.57 1i1q h ALA 187 Cb 0.93 -0.12 0.01 0.00 0.00 0.00 0.00 17.79 18.60 1i1q h ALA 187 CO 0.09 0.45 -0.52 2.35 0.00 0.00 0.00 179.25 181.62 1i1q h TRP 188 N 0.38 0.72 0.00 0.00 7.01 -1.17 -3.28 115.95 119.59 1i1q h TRP 188 Ca 0.07 -0.32 -0.03 0.00 2.11 0.00 0.00 58.89 60.72 1i1q h TRP 188 Cb 0.46 -0.11 -0.00 0.00 -2.10 0.00 0.00 29.16 27.41 1i1q h TRP 188 CO 0.01 1.10 -0.17 0.00 -2.79 0.00 0.00 178.44 176.60 1i1q h ALA 189 N 0.47 1.20 -0.32 2.65 0.00 -0.44 -2.80 119.26 120.02 1i1q h ALA 189 Ca -0.04 -0.15 0.00 0.00 0.00 0.00 0.00 54.91 54.72 1i1q h ALA 189 Cb 1.17 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.93 1i1q h ALA 189 CO 0.11 0.21 0.00 1.04 0.00 0.00 0.00 179.25 180.61 1i1q n GLN 190 N -3.58 1.86 -2.92 0.00 6.02 -0.75 -4.66 117.38 113.35 1i1q n GLN 190 Ca -0.01 -1.32 -0.20 0.00 -0.01 0.00 0.00 57.00 55.45 1i1q n GLN 190 Cb 0.31 -1.34 0.02 0.00 1.02 0.00 0.00 30.24 30.25 1i1q n GLN 190 CO 0.00 0.00 0.00 -0.65 -1.01 0.00 0.00 177.06 175.40 1i1q s GLN 191 N -1.58 2.81 0.00 -1.09 -0.21 -1.06 -5.09 119.66 113.43 1i1q s GLN 191 Ca 0.28 -0.84 0.00 0.00 0.02 0.00 0.00 55.36 54.82 1i1q s GLN 191 Cb 0.15 -2.61 0.00 0.00 1.00 0.00 0.00 33.01 31.55 1i1q s GLN 191 CO 0.21 -0.40 0.00 1.63 -2.12 0.00 0.00 175.29 174.61