#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1i7s s ASP 3 N 0.00 4.48 -0.09 0.00 -0.00 -0.28 -2.39 116.67 118.38 1i7s s ASP 3 Ca 0.00 -0.70 0.01 0.00 -0.00 0.00 0.00 52.55 51.86 1i7s s ASP 3 Cb 0.00 -1.73 -0.02 0.00 -0.00 0.00 0.00 42.92 41.17 1i7s s ASP 3 CO 0.00 -0.11 -0.12 -0.63 -0.00 0.00 0.00 175.17 174.31 1i7s s ILE 4 N 1.41 3.23 -0.35 0.77 1.01 -0.14 -0.96 121.20 126.17 1i7s s ILE 4 Ca 0.02 -0.63 -0.08 0.00 0.00 0.00 0.00 60.65 59.96 1i7s s ILE 4 Cb -0.16 -2.32 0.03 0.00 0.01 0.00 0.00 42.46 40.02 1i7s s ILE 4 CO -0.03 0.56 0.15 -0.22 0.00 0.00 0.00 174.94 175.40 1i7s s LEU 5 N -0.22 4.45 -0.40 2.97 1.98 -0.89 -1.56 118.68 125.01 1i7s s LEU 5 Ca 0.01 -1.03 -0.15 0.00 -2.89 0.00 0.00 54.13 50.07 1i7s s LEU 5 Cb -0.13 -1.94 0.01 0.00 0.66 0.00 0.00 46.19 44.80 1i7s s LEU 5 CO 0.03 -0.34 0.29 -0.22 -1.89 0.00 0.00 176.35 174.22 1i7s s LEU 6 N 1.48 5.00 -0.62 -0.68 2.96 0.91 -1.66 118.68 126.06 1i7s s LEU 6 Ca 0.00 -0.82 -0.27 0.00 -0.22 0.00 0.00 54.13 52.82 1i7s s LEU 6 Cb -0.19 -2.15 0.04 0.00 0.50 0.00 0.00 46.19 44.38 1i7s s LEU 6 CO 0.04 -0.41 1.15 -0.22 -1.32 0.00 0.00 176.35 175.59 1i7s s LEU 7 N 1.68 3.57 -0.67 -0.68 1.98 -0.31 -1.35 118.68 122.90 1i7s s LEU 7 Ca 0.05 -0.21 -0.27 0.00 -2.89 0.00 0.00 54.13 50.81 1i7s s LEU 7 Cb -0.19 -2.89 0.02 0.00 0.66 0.00 0.00 46.19 43.80 1i7s s LEU 7 CO 0.10 -1.52 1.37 -0.62 -1.89 0.00 0.00 176.35 173.79 1i7s s ASP 8 N 3.19 6.07 0.00 3.68 3.68 -0.27 -1.77 116.67 131.25 1i7s s ASP 8 Ca 0.37 -0.15 -0.00 0.00 2.13 0.00 0.00 52.55 54.90 1i7s s ASP 8 Cb -0.09 -2.55 -0.00 0.00 -1.45 0.00 0.00 42.92 38.82 1i7s s ASP 8 CO 0.20 -1.84 1.81 0.59 0.13 0.00 0.00 175.17 176.06 1i7s n ASN 9 N 9.74 4.82 -3.61 -0.34 3.02 -1.25 -1.78 115.26 125.86 1i7s n ASN 9 Ca 0.08 -2.27 -0.21 0.00 -0.03 0.00 0.00 54.58 52.14 1i7s n ASN 9 Cb 0.49 -1.02 0.05 0.00 -0.61 0.00 0.00 39.78 38.69 1i7s n ASN 9 CO 0.00 0.00 0.00 0.52 -2.62 0.00 0.00 177.26 175.16 1i7s n VAL 10 N 1.56 -5.31 -3.75 2.41 0.31 -1.26 -4.30 118.33 107.98 1i7s n VAL 10 Ca 0.00 -0.63 -0.20 0.00 -0.01 0.00 0.00 64.34 63.50 1i7s n VAL 10 Cb 0.45 -4.29 -0.02 0.00 -0.91 0.00 0.00 33.84 29.07 1i7s n VAL 10 CO 0.00 0.00 0.00 -0.62 -1.32 0.00 0.00 176.83 174.89 1i7s s ASP 11 N -4.18 5.64 0.00 4.52 2.15 -1.26 -4.68 116.67 118.87 1i7s s ASP 11 Ca 0.09 -0.31 0.20 0.00 0.43 0.00 0.00 52.55 52.97 1i7s s ASP 11 Cb -0.02 -1.20 0.54 0.00 -0.30 0.00 0.00 42.92 41.94 1i7s s ASP 11 CO 0.80 -0.31 1.46 -1.20 -0.17 0.00 0.00 175.17 175.74 1i7s n SER 12 N -1.44 3.27 -0.04 -0.34 7.64 -1.26 -4.07 113.62 117.39 1i7s n SER 12 Ca -0.03 -1.98 0.02 0.00 1.01 0.00 0.00 58.87 57.89 1i7s n SER 12 Cb 0.59 -0.36 0.02 0.00 -1.01 0.00 0.00 64.21 63.45 1i7s n SER 12 CO 0.00 0.00 0.00 0.49 -3.01 0.00 0.00 175.04 172.52 1i7s n PHE 13 N 1.31 0.00 0.11 1.43 0.99 -1.26 -4.82 117.46 115.22 1i7s n PHE 13 Ca 0.20 -0.47 -0.13 0.00 -0.00 0.00 0.00 57.45 57.06 1i7s n PHE 13 Cb 0.53 -0.06 -0.07 0.00 -1.00 0.00 0.00 39.48 38.89 1i7s n PHE 13 CO 0.00 0.00 0.00 1.15 -0.00 0.00 0.00 176.76 177.91 1i7s h THR 14 N 0.87 0.76 0.00 4.37 2.02 -1.93 -2.80 112.91 116.20 1i7s h THR 14 Ca 0.00 0.00 0.00 0.00 0.77 0.00 0.00 66.41 67.18 1i7s h THR 14 Cb 0.71 0.76 0.00 0.00 -1.74 0.00 0.00 68.15 67.88 1i7s h THR 14 CO 0.00 0.00 0.00 -1.22 0.37 0.00 0.00 175.52 174.67 1i7s n TYR 15 N -5.22 0.70 0.12 3.16 4.01 -1.26 -2.09 117.16 116.57 1i7s n TYR 15 Ca -0.08 0.30 -0.02 0.00 -0.16 0.00 0.00 57.90 57.94 1i7s n TYR 15 Cb 0.15 -0.98 0.19 0.00 -0.31 0.00 0.00 39.34 38.38 1i7s n TYR 15 CO 0.00 0.00 0.00 -0.91 -0.46 0.00 0.00 176.86 175.49 1i7s h ASN 16 N 0.00 0.11 0.00 7.72 2.35 -1.84 0.47 115.58 124.39 1i7s h ASN 16 Ca 0.00 -0.06 -0.00 0.00 -0.55 0.00 0.00 56.30 55.69 1i7s h ASN 16 Cb 0.24 -0.03 0.00 0.00 0.05 0.00 0.00 38.32 38.58 1i7s h ASN 16 CO 0.00 0.64 -0.00 -0.07 -1.65 0.00 0.00 177.43 176.35 1i7s h LEU 17 N 0.07 -0.00 -0.46 1.61 3.38 -1.50 -3.04 115.31 115.37 1i7s h LEU 17 Ca -0.00 -0.55 0.09 0.00 0.09 0.00 0.00 57.88 57.51 1i7s h LEU 17 Cb 1.01 0.00 -0.09 0.00 0.09 0.00 0.00 40.66 41.67 1i7s h LEU 17 CO 0.08 0.55 -0.13 0.58 0.09 0.00 0.00 178.44 179.61 1i7s h VAL 18 N -0.55 0.52 -0.88 1.22 2.07 -1.06 -0.95 116.25 116.62 1i7s h VAL 18 Ca -0.00 0.00 -0.02 0.00 0.82 0.00 0.00 66.70 67.50 1i7s h VAL 18 Cb 0.55 0.52 -0.04 0.00 -1.52 0.00 0.00 31.29 30.79 1i7s h VAL 18 CO 0.00 0.00 0.47 -0.78 0.02 0.00 0.00 177.57 177.28 1i7s h ASP 19 N -0.01 1.11 1.05 0.57 1.82 -0.10 -0.74 116.42 120.11 1i7s h ASP 19 Ca 0.22 -0.10 -0.12 0.00 -0.39 0.00 0.00 57.03 56.64 1i7s h ASP 19 Cb 0.35 -0.28 -0.02 0.00 0.68 0.00 0.00 39.33 40.06 1i7s h ASP 19 CO -0.48 0.90 -0.58 0.06 -1.61 0.00 0.00 179.24 177.52 1i7s h GLN 20 N 1.23 0.00 0.20 0.28 3.07 -1.29 -1.97 115.11 116.64 1i7s h GLN 20 Ca 0.31 0.00 -0.01 0.00 0.09 0.00 0.00 58.65 59.04 1i7s h GLN 20 Cb 0.05 0.00 0.00 0.00 0.08 0.00 0.00 27.48 27.61 1i7s h GLN 20 CO -0.05 0.58 -0.09 -0.07 0.09 0.00 0.00 178.83 179.29 1i7s h LEU 21 N 0.00 -0.22 -2.02 0.06 3.38 -0.82 -2.67 115.31 113.01 1i7s h LEU 21 Ca -0.01 -0.30 -0.01 0.00 0.09 0.00 0.00 57.88 57.65 1i7s h LEU 21 Cb 1.26 0.06 -0.00 0.00 0.09 0.00 0.00 40.66 42.07 1i7s h LEU 21 CO 0.08 0.23 -0.07 0.03 0.09 0.00 0.00 178.44 178.80 1i7s h ARG 22 N -0.75 0.00 -0.20 1.13 3.08 -1.17 -1.14 114.38 115.33 1i7s h ARG 22 Ca -0.03 0.00 -0.20 0.00 0.07 0.00 0.00 59.98 59.82 1i7s h ARG 22 Cb 0.51 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.56 1i7s h ARG 22 CO 0.04 0.07 -0.67 0.00 -1.07 0.00 0.00 179.97 178.34 1i7s h ALA 23 N 1.93 0.43 0.00 0.04 0.00 -1.37 -2.41 119.26 117.88 1i7s h ALA 23 Ca -0.00 -0.56 0.00 0.00 0.00 0.00 0.00 54.91 54.35 1i7s h ALA 23 Cb 0.32 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.06 1i7s h ALA 23 CO 0.01 0.69 0.00 0.43 0.00 0.00 0.00 179.25 180.38 1i7s n SER 24 N -3.95 0.00 0.00 0.00 7.64 -0.46 -4.83 113.62 112.02 1i7s n SER 24 Ca -0.06 -0.05 0.00 0.00 1.01 0.00 0.00 58.87 59.77 1i7s n SER 24 Cb 0.69 -0.18 0.00 0.00 -1.01 0.00 0.00 64.21 63.71 1i7s n SER 24 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1i7s n GLY 25 N -0.29 0.62 3.83 0.23 0.00 -0.91 -5.03 105.19 103.64 1i7s n GLY 25 Ca 0.07 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.78 1i7s n GLY 25 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 1i7s s HIS 26 N -2.45 3.11 -0.10 1.61 3.76 -1.00 -4.81 115.29 115.41 1i7s s HIS 26 Ca 0.00 1.22 -0.04 0.00 -0.15 0.00 0.00 55.06 56.09 1i7s s HIS 26 Cb 0.00 -2.99 -0.04 0.00 1.11 0.00 0.00 32.58 30.66 1i7s s HIS 26 CO 0.00 -1.36 0.06 -1.14 -0.85 0.00 0.00 174.74 171.45 1i7s s GLN 27 N -5.17 3.21 0.01 1.40 0.74 -1.01 -4.24 119.66 114.60 1i7s s GLN 27 Ca 0.59 -0.30 0.02 0.00 0.05 0.00 0.00 55.36 55.72 1i7s s GLN 27 Cb -0.13 -2.96 -0.01 0.00 1.10 0.00 0.00 33.01 31.01 1i7s s GLN 27 CO 0.54 0.71 -0.07 0.08 -0.55 0.00 0.00 175.29 176.00 1i7s s VAL 28 N -0.87 0.53 -0.01 1.34 1.01 -1.26 -0.97 120.40 120.17 1i7s s VAL 28 Ca 0.13 -0.47 0.01 0.00 0.00 0.00 0.00 61.98 61.65 1i7s s VAL 28 Cb -0.12 -0.48 0.01 0.00 0.00 0.00 0.00 36.38 35.79 1i7s s VAL 28 CO 0.03 0.02 -0.01 0.68 0.00 0.00 0.00 175.10 175.82 1i7s s VAL 29 N -0.43 0.16 -0.09 2.92 -7.23 -0.60 -4.99 120.40 110.14 1i7s s VAL 29 Ca -0.00 -0.03 0.02 0.00 -1.81 0.00 0.00 61.98 60.16 1i7s s VAL 29 Cb -0.04 -0.18 -0.02 0.00 0.56 0.00 0.00 36.38 36.70 1i7s s VAL 29 CO -0.00 0.08 -0.15 -0.63 -0.31 0.00 0.00 175.10 174.08 1i7s s ILE 30 N 0.28 2.90 -0.05 -0.62 1.09 -1.26 -0.07 121.20 123.48 1i7s s ILE 30 Ca -0.03 -0.75 0.02 0.00 -1.10 0.00 0.00 60.65 58.79 1i7s s ILE 30 Cb -0.05 -2.17 0.02 0.00 -1.06 0.00 0.00 42.46 39.20 1i7s s ILE 30 CO -0.01 0.56 -0.07 -0.31 -0.10 0.00 0.00 174.94 175.01 1i7s s TYR 31 N -0.12 0.97 0.99 3.97 1.51 -0.46 -4.95 117.35 119.26 1i7s s TYR 31 Ca -0.02 -0.30 -0.11 0.00 -1.01 0.00 0.00 57.07 55.63 1i7s s TYR 31 Cb -0.14 -0.77 0.19 0.00 -0.11 0.00 0.00 41.96 41.13 1i7s s TYR 31 CO 0.04 -0.20 1.09 1.03 -1.11 0.00 0.00 175.55 176.40 1i7s s ARG 32 N 0.72 0.46 0.15 -0.62 1.81 -1.26 -1.12 118.95 119.09 1i7s s ARG 32 Ca -0.11 1.16 -0.20 0.00 -1.72 0.00 0.00 55.73 54.86 1i7s s ARG 32 Cb -0.14 -1.69 0.03 0.00 -0.45 0.00 0.00 34.95 32.70 1i7s s ARG 32 CO 0.01 -2.89 1.67 -0.97 -0.68 0.00 0.00 175.30 172.44 1i7s h ASN 33 N -2.04 -0.41 0.00 0.23 -0.00 -1.72 -3.02 115.58 108.62 1i7s h ASN 33 Ca -0.51 0.10 0.00 0.00 -0.00 0.00 0.00 56.30 55.90 1i7s h ASN 33 Cb 1.29 0.23 0.00 0.00 -0.00 0.00 0.00 38.32 39.84 1i7s h ASN 33 CO 0.47 -0.16 0.00 0.00 -0.00 0.00 0.00 177.43 177.75 1i7s n GLN 34 N -5.29 0.00 -1.28 6.67 3.00 -1.26 -2.91 117.38 116.30 1i7s n GLN 34 Ca -0.00 0.42 -0.32 0.00 -0.01 0.00 0.00 57.00 57.09 1i7s n GLN 34 Cb 0.21 -1.50 0.10 0.00 0.00 0.00 0.00 30.24 29.04 1i7s n GLN 34 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.06 177.48 1i7s s ILE 35 N -2.85 2.96 0.26 5.09 -1.09 -1.14 -4.94 121.20 119.48 1i7s s ILE 35 Ca 0.00 0.36 -0.30 0.00 -2.23 0.00 0.00 60.65 58.48 1i7s s ILE 35 Cb 0.00 -2.77 -0.09 0.00 -1.58 0.00 0.00 42.46 38.02 1i7s s ILE 35 CO 0.00 -0.36 1.12 -0.83 -1.23 0.00 0.00 174.94 173.64 1i7s s GLY 36 N -2.92 2.98 0.22 6.18 0.00 -1.26 -4.55 107.32 107.97 1i7s s GLY 36 Ca 0.65 0.91 -0.11 0.00 0.00 0.00 0.00 44.72 46.17 1i7s s GLY 36 CO 0.52 1.59 1.65 0.00 0.00 0.00 0.00 173.10 176.86 1i7s h ALA 37 N 4.16 0.60 -0.78 3.20 0.00 -1.91 0.34 119.26 124.87 1i7s h ALA 37 Ca -0.46 0.21 0.18 0.00 0.00 0.00 0.00 54.91 54.83 1i7s h ALA 37 Cb 1.21 0.37 -0.14 0.00 0.00 0.00 0.00 17.79 19.23 1i7s h ALA 37 CO 0.69 -0.40 -0.02 0.93 0.00 0.00 0.00 179.25 180.44 1i7s h GLU 38 N 0.09 0.08 0.00 0.00 4.39 -1.98 0.60 114.58 117.76 1i7s h GLU 38 Ca 0.33 -0.00 -0.03 0.00 0.34 0.00 0.00 59.36 60.00 1i7s h GLU 38 Cb 0.54 -0.02 -0.00 0.00 -0.10 0.00 0.00 28.75 29.17 1i7s h GLU 38 CO -0.57 0.05 -0.13 0.28 -1.16 0.00 0.00 179.01 177.49 1i7s h VAL 39 N 0.08 0.43 -0.08 3.13 2.07 -1.32 0.44 116.25 121.00 1i7s h VAL 39 Ca 0.42 -0.69 -0.11 0.00 0.82 0.00 0.00 66.70 67.14 1i7s h VAL 39 Cb 0.75 1.49 0.01 0.00 -1.52 0.00 0.00 31.29 32.01 1i7s h VAL 39 CO -0.71 0.13 -0.40 0.40 0.02 0.00 0.00 177.57 177.01 1i7s h ILE 40 N 0.00 1.40 0.49 4.57 1.08 0.53 -2.36 117.51 123.22 1i7s h ILE 40 Ca -0.00 -1.77 -0.01 0.00 -0.39 0.00 0.00 64.86 62.68 1i7s h ILE 40 Cb 0.48 2.28 -0.01 0.00 -3.07 0.00 0.00 36.82 36.49 1i7s h ILE 40 CO 0.02 0.52 -0.37 0.40 -0.69 0.00 0.00 178.15 178.03 1i7s h ILE 41 N -0.04 0.25 -0.76 -0.67 1.08 0.66 0.40 117.51 118.43 1i7s h ILE 41 Ca -0.03 0.00 0.17 0.00 -0.39 0.00 0.00 64.86 64.62 1i7s h ILE 41 Cb 1.05 0.25 -0.13 0.00 -3.07 0.00 0.00 36.82 34.92 1i7s h ILE 41 CO 0.08 0.00 0.07 -0.33 -0.69 0.00 0.00 178.15 177.29 1i7s h GLU 42 N -0.84 0.15 -0.45 2.37 5.08 -0.24 0.03 114.58 120.68 1i7s h GLU 42 Ca -0.05 -0.01 -0.14 0.00 -1.00 0.00 0.00 59.36 58.16 1i7s h GLU 42 Cb 0.71 -0.03 -0.01 0.00 0.50 0.00 0.00 28.75 29.91 1i7s h GLU 42 CO 0.01 0.10 -0.25 -0.09 -1.00 0.00 0.00 179.01 177.78 1i7s h ARG 43 N 0.15 0.95 -0.79 2.33 9.65 -0.94 -2.89 114.38 122.84 1i7s h ARG 43 Ca 0.43 -0.42 0.09 0.00 -1.10 0.00 0.00 59.98 58.97 1i7s h ARG 43 Cb 0.76 -0.02 -0.07 0.00 -1.39 0.00 0.00 29.97 29.25 1i7s h ARG 43 CO -0.62 1.09 0.45 -0.07 2.80 0.00 0.00 179.97 183.62 1i7s h LEU 44 N 0.81 0.65 -1.88 3.80 3.38 0.17 -1.88 115.31 120.36 1i7s h LEU 44 Ca 0.10 0.04 0.05 0.00 0.09 0.00 0.00 57.88 58.17 1i7s h LEU 44 Cb 0.83 -0.08 -0.01 0.00 0.09 0.00 0.00 40.66 41.48 1i7s h LEU 44 CO 0.07 0.38 0.20 1.56 0.09 0.00 0.00 178.44 180.74 1i7s h GLN 45 N 0.77 0.14 -0.30 1.13 4.20 -1.17 -2.16 115.11 117.72 1i7s h GLN 45 Ca 0.38 -0.01 0.00 0.00 0.06 0.00 0.00 58.65 59.08 1i7s h GLN 45 Cb 0.33 -0.03 0.00 0.00 0.30 0.00 0.00 27.48 28.07 1i7s h GLN 45 CO -0.24 0.10 0.00 0.72 -0.67 0.00 0.00 178.83 178.74 1i7s n HIS 46 N -4.48 0.00 -4.36 2.96 8.25 -0.71 -4.82 115.22 112.06 1i7s n HIS 46 Ca 0.03 0.00 -0.20 0.00 -0.26 0.00 0.00 57.72 57.29 1i7s n HIS 46 Cb 0.25 -0.03 -0.13 0.00 1.12 0.00 0.00 29.99 31.20 1i7s n HIS 46 CO 0.00 0.00 0.00 -1.64 0.64 0.00 0.00 176.34 175.34 1i7s s MET 47 N -1.60 0.91 -0.34 -0.41 -1.94 -0.81 -5.11 119.30 109.99 1i7s s MET 47 Ca 0.00 -0.70 -0.12 0.00 -1.71 0.00 0.00 55.69 53.16 1i7s s MET 47 Cb 0.00 -0.90 -0.01 0.00 2.01 0.00 0.00 34.83 35.93 1i7s s MET 47 CO 0.00 0.23 0.22 -1.21 -0.01 0.00 0.00 175.02 174.25 1i7s s GLU 49 N -1.02 3.33 -0.03 2.03 0.41 -1.26 -4.40 118.70 117.76 1i7s s GLU 49 Ca 0.01 -0.75 -0.00 0.00 -0.41 0.00 0.00 54.97 53.83 1i7s s GLU 49 Cb -0.07 -3.76 -0.00 0.00 -1.78 0.00 0.00 34.13 28.52 1i7s s GLU 49 CO 0.01 -0.49 0.03 1.04 -0.49 0.00 0.00 175.26 175.35 1i7s n GLN 50 N 5.07 -0.07 -3.03 1.61 1.13 -1.26 -4.55 117.38 116.29 1i7s n GLN 50 Ca -0.13 0.04 -0.33 0.00 -1.94 0.00 0.00 57.00 54.64 1i7s n GLN 50 Cb 0.49 -1.63 -0.06 0.00 0.11 0.00 0.00 30.24 29.15 1i7s n GLN 50 CO 0.00 0.00 0.00 -1.25 -1.44 0.00 0.00 177.06 174.37 1i7s s PRO 51 N -3.04 4.10 -0.03 -1.09 0.04 -1.26 -1.13 135.00 132.59 1i7s s PRO 51 Ca 0.01 0.84 0.01 0.00 0.04 0.00 0.00 61.00 61.90 1i7s s PRO 51 Cb -0.00 -2.37 0.02 0.00 0.04 0.00 0.00 34.50 32.19 1i7s s PRO 51 CO 0.02 0.10 -0.02 0.08 0.04 0.00 0.00 177.00 177.22 1i7s s VAL 52 N -2.03 0.31 0.09 -0.36 1.01 -0.13 -4.47 120.40 114.83 1i7s s VAL 52 Ca 0.56 -0.02 -0.13 0.00 0.00 0.00 0.00 61.98 62.39 1i7s s VAL 52 Cb -0.10 -0.36 -0.06 0.00 0.00 0.00 0.00 36.38 35.85 1i7s s VAL 52 CO 0.16 0.16 0.47 -0.22 0.00 0.00 0.00 175.10 175.68 1i7s s LEU 53 N 0.80 4.38 -0.05 3.92 2.96 -0.71 -2.10 118.68 127.88 1i7s s LEU 53 Ca -0.09 0.97 0.00 0.00 -0.22 0.00 0.00 54.13 54.79 1i7s s LEU 53 Cb -0.12 -3.04 0.03 0.00 0.50 0.00 0.00 46.19 43.56 1i7s s LEU 53 CO -0.01 0.17 -0.01 -0.32 -1.32 0.00 0.00 176.35 174.86 1i7s s MET 54 N -1.75 0.60 -0.22 1.98 -2.45 -0.66 -0.92 119.30 115.87 1i7s s MET 54 Ca 0.33 0.03 -0.12 0.00 -1.25 0.00 0.00 55.69 54.68 1i7s s MET 54 Cb -0.15 -0.78 -0.05 0.00 1.25 0.00 0.00 34.83 35.10 1i7s s MET 54 CO 0.18 -0.18 0.22 -0.51 1.05 0.00 0.00 175.02 175.79 1i7s s LEU 55 N 1.33 4.15 0.55 4.11 1.43 0.59 -1.16 118.68 129.68 1i7s s LEU 55 Ca -0.05 0.26 -0.05 0.00 -1.03 0.00 0.00 54.13 53.27 1i7s s LEU 55 Cb -0.13 -2.22 -0.00 0.00 0.03 0.00 0.00 46.19 43.86 1i7s s LEU 55 CO -0.02 0.06 0.84 -0.94 0.23 0.00 0.00 176.35 176.51 1i7s s SER 56 N 0.88 5.74 1.08 2.29 1.04 -0.73 0.07 113.70 124.07 1i7s s SER 56 Ca 0.11 0.66 -0.16 0.00 0.48 0.00 0.00 55.95 57.04 1i7s s SER 56 Cb -0.13 -1.75 0.23 0.00 0.10 0.00 0.00 66.02 64.47 1i7s s SER 56 CO 0.04 -0.92 1.12 -2.84 0.98 0.00 0.00 173.24 171.62 1i7s s PRO 57 N -4.87 -0.27 0.00 4.02 0.02 -1.13 -3.18 135.00 129.60 1i7s s PRO 57 Ca 0.52 0.15 0.00 0.00 0.02 0.00 0.00 61.00 61.69 1i7s s PRO 57 Cb -0.10 -1.69 0.00 0.00 0.02 0.00 0.00 34.50 32.73 1i7s s PRO 57 CO 0.44 -3.12 0.00 0.41 -0.33 0.00 0.00 177.00 174.40 1i7s n GLY 58 N -1.32 2.54 3.78 0.52 0.00 -1.26 -3.87 105.19 105.58 1i7s n GLY 58 Ca 0.09 -1.03 -0.29 0.00 0.00 0.00 0.00 46.02 44.79 1i7s n GLY 58 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1i7s s PRO 59 N -2.01 1.55 0.17 1.61 0.04 -1.26 -4.62 135.00 130.47 1i7s s PRO 59 Ca 0.00 0.54 0.00 0.00 0.04 0.00 0.00 61.00 61.58 1i7s s PRO 59 Cb 0.00 -1.86 0.00 0.00 0.04 0.00 0.00 34.50 32.68 1i7s s PRO 59 CO 0.00 -1.97 0.00 0.41 0.04 0.00 0.00 177.00 175.48 1i7s n GLY 60 N -1.92 -1.75 3.88 0.56 0.00 -1.26 -4.89 105.19 99.79 1i7s n GLY 60 Ca 0.07 -1.35 -0.30 0.00 0.00 0.00 0.00 46.02 44.43 1i7s n GLY 60 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1i7s s THR 61 N -1.84 4.82 0.54 2.61 -4.23 -1.26 -4.96 115.64 111.31 1i7s s THR 61 Ca 0.00 0.56 0.40 0.00 -1.18 0.00 0.00 61.69 61.47 1i7s s THR 61 Cb 0.00 -3.71 0.60 0.00 1.34 0.00 0.00 72.50 70.73 1i7s s THR 61 CO 0.00 -0.42 1.73 1.55 -0.54 0.00 0.00 174.62 176.94 1i7s h PRO 62 N 1.52 0.01 -0.01 3.99 0.13 -1.90 -1.70 132.00 134.04 1i7s h PRO 62 Ca -0.47 -0.00 -0.18 0.00 -0.87 0.00 0.00 66.00 64.47 1i7s h PRO 62 Cb 1.19 -0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.30 1i7s h PRO 62 CO 0.65 0.01 -0.81 0.77 -0.23 0.00 0.00 178.00 178.38 1i7s h SER 63 N 0.01 0.24 -0.24 1.44 0.02 -1.97 -3.02 113.55 110.04 1i7s h SER 63 Ca 0.68 -0.18 0.00 0.00 -0.84 0.00 0.00 61.79 61.45 1i7s h SER 63 Cb 2.69 -0.07 0.00 0.00 0.14 0.00 0.00 62.40 65.16 1i7s h SER 63 CO -0.03 0.95 0.00 -0.62 -1.14 0.00 0.00 176.83 175.99 1i7s n GLU 64 N -3.70 1.70 -2.55 3.45 1.02 -0.64 -4.63 120.64 115.28 1i7s n GLU 64 Ca -0.03 -0.92 -0.43 0.00 -0.02 0.00 0.00 57.16 55.76 1i7s n GLU 64 Cb 0.76 -1.29 0.00 0.00 -0.02 0.00 0.00 31.44 30.90 1i7s n GLU 64 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1i7s n ALA 65 N 0.22 5.13 -0.41 0.62 0.00 -1.14 -4.97 120.51 119.96 1i7s n ALA 65 Ca 0.08 -4.40 0.00 0.00 0.00 0.00 0.00 53.44 49.12 1i7s n ALA 65 Cb 0.27 -2.87 0.00 0.00 0.00 0.00 0.00 19.45 16.85 1i7s n ALA 65 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1i7s n GLY 66 N 2.69 2.25 0.12 0.00 0.00 -1.26 -2.17 105.19 106.82 1i7s n GLY 66 Ca 0.37 -0.24 0.07 0.00 0.00 0.00 0.00 46.02 46.22 1i7s n GLY 66 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1i7s h MET 68 N 0.45 -0.13 0.14 0.00 -1.53 -1.71 0.40 114.93 112.53 1i7s h MET 68 Ca 0.00 0.01 0.02 0.00 -3.44 0.00 0.00 59.70 56.29 1i7s h MET 68 Cb 0.10 0.03 -0.04 0.00 -0.55 0.00 0.00 31.60 31.13 1i7s h MET 68 CO 0.00 -0.09 -0.42 -1.35 0.14 0.00 0.00 176.91 175.19 1i7s h PRO 69 N -0.13 -0.64 -0.68 0.39 0.11 -1.80 0.21 132.00 129.46 1i7s h PRO 69 Ca -0.00 0.04 0.13 0.00 0.11 0.00 0.00 66.00 66.28 1i7s h PRO 69 Cb 0.12 0.15 -0.09 0.00 0.11 0.00 0.00 31.00 31.28 1i7s h PRO 69 CO 0.00 -0.43 0.19 1.49 -0.21 0.00 0.00 178.00 179.04 1i7s h GLU 70 N -0.67 0.30 -0.69 1.05 4.81 -1.84 0.15 114.58 117.69 1i7s h GLU 70 Ca 0.02 -0.02 0.08 0.00 -0.13 0.00 0.00 59.36 59.31 1i7s h GLU 70 Cb 0.69 -0.07 -0.04 0.00 0.63 0.00 0.00 28.75 29.95 1i7s h GLU 70 CO -0.24 0.20 0.45 1.25 -0.73 0.00 0.00 179.01 179.95 1i7s h LEU 71 N 0.31 0.55 0.22 1.64 5.85 0.55 -2.28 115.31 122.15 1i7s h LEU 71 Ca 0.37 0.01 -0.01 0.00 0.84 0.00 0.00 57.88 59.09 1i7s h LEU 71 Cb 0.57 -0.11 0.00 0.00 0.37 0.00 0.00 40.66 41.50 1i7s h LEU 71 CO -0.43 0.34 -0.11 -0.07 -0.34 0.00 0.00 178.44 177.83 1i7s h LEU 72 N 0.61 -0.25 -1.00 2.25 3.38 0.11 -1.93 115.31 118.49 1i7s h LEU 72 Ca 0.31 -0.25 0.36 0.00 0.09 0.00 0.00 57.88 58.39 1i7s h LEU 72 Cb 0.41 0.07 -0.16 0.00 0.09 0.00 0.00 40.66 41.06 1i7s h LEU 72 CO -0.10 0.26 0.52 -0.61 0.09 0.00 0.00 178.44 178.60 1i7s h GLN 73 N -0.93 0.17 0.00 1.13 5.75 -0.87 -1.13 115.11 119.23 1i7s h GLN 73 Ca -0.03 -0.01 -0.14 0.00 -0.15 0.00 0.00 58.65 58.31 1i7s h GLN 73 Cb 0.49 -0.04 -0.03 0.00 1.07 0.00 0.00 27.48 28.97 1i7s h GLN 73 CO 0.05 0.11 -1.40 0.54 -2.65 0.00 0.00 178.83 175.48 1i7s n ARG 74 N -5.16 0.62 0.00 1.69 1.74 -0.88 -4.51 116.66 110.16 1i7s n ARG 74 Ca 0.34 0.19 0.07 0.00 -0.77 0.00 0.00 57.85 57.68 1i7s n ARG 74 Cb 1.09 -1.80 -0.04 0.00 -1.02 0.00 0.00 32.46 30.70 1i7s n ARG 74 CO 0.00 0.00 0.00 1.28 -1.52 0.00 0.00 177.63 177.39 1i7s n LEU 75 N -2.84 1.07 -4.68 0.55 4.77 -0.63 -4.84 117.00 110.41 1i7s n LEU 75 Ca -0.09 -0.63 -0.43 0.00 -0.03 0.00 0.00 56.01 54.83 1i7s n LEU 75 Cb 0.80 0.00 -0.03 0.00 -2.33 0.00 0.00 43.42 41.86 1i7s n LEU 75 CO 0.43 0.22 1.50 0.54 -1.33 0.00 0.00 177.39 178.75 1i7s n ARG 76 N -0.74 2.71 0.00 3.23 1.74 -0.52 -0.33 116.66 122.74 1i7s n ARG 76 Ca 0.04 0.99 0.00 0.00 -0.77 0.00 0.00 57.85 58.11 1i7s n ARG 76 Cb 0.25 -2.89 0.00 0.00 -1.02 0.00 0.00 32.46 28.81 1i7s n ARG 76 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1i7s n GLY 77 N 4.30 2.05 0.12 -0.13 0.00 -1.26 -4.87 105.19 105.40 1i7s n GLY 77 Ca 0.19 0.00 -0.17 0.00 0.00 0.00 0.00 46.02 46.04 1i7s n GLY 77 CO 0.00 0.00 0.00 1.46 0.00 0.00 0.00 173.32 174.78 1i7s h GLN 78 N 2.79 0.24 -3.15 1.61 1.08 -1.00 -3.48 115.11 113.20 1i7s h GLN 78 Ca 0.00 -0.41 -0.03 0.00 -1.45 0.00 0.00 58.65 56.75 1i7s h GLN 78 Cb 0.00 0.15 -0.12 0.00 -0.05 0.00 0.00 27.48 27.46 1i7s h GLN 78 CO 0.00 1.09 0.10 -0.48 -0.95 0.00 0.00 178.83 178.59 1i7s s LEU 79 N -6.93 -0.20 0.08 1.46 2.34 -1.21 -5.13 118.68 109.09 1i7s s LEU 79 Ca -0.12 -0.12 -0.31 0.00 0.06 0.00 0.00 54.13 53.64 1i7s s LEU 79 Cb 0.07 2.31 -0.07 0.00 -0.56 0.00 0.00 46.19 47.94 1i7s s LEU 79 CO 0.84 -0.93 1.30 -2.16 -1.06 0.00 0.00 176.35 174.34 1i7s s PRO 80 N -3.77 4.37 -0.20 1.48 0.04 -1.26 -4.82 135.00 130.84 1i7s s PRO 80 Ca 0.02 1.92 -0.02 0.00 0.04 0.00 0.00 61.00 62.96 1i7s s PRO 80 Cb 0.00 -3.32 -0.00 0.00 0.04 0.00 0.00 34.50 31.22 1i7s s PRO 80 CO -0.13 -0.37 -0.08 0.42 0.04 0.00 0.00 177.00 176.88 1i7s s ILE 81 N 1.20 3.11 -0.24 0.56 1.01 -0.97 -1.73 121.20 124.14 1i7s s ILE 81 Ca 0.62 -0.59 -0.07 0.00 0.00 0.00 0.00 60.65 60.61 1i7s s ILE 81 Cb -0.33 -2.39 -0.02 0.00 0.01 0.00 0.00 42.46 39.73 1i7s s ILE 81 CO 0.29 0.46 0.05 -0.63 0.00 0.00 0.00 174.94 175.11 1i7s s ILE 82 N 1.25 4.11 -0.13 2.92 1.01 -0.10 -2.64 121.20 127.63 1i7s s ILE 82 Ca 0.03 -0.24 -0.01 0.00 0.00 0.00 0.00 60.65 60.43 1i7s s ILE 82 Cb -0.14 -2.91 -0.02 0.00 0.01 0.00 0.00 42.46 39.40 1i7s s ILE 82 CO -0.03 0.36 -0.11 -0.83 0.00 0.00 0.00 174.94 174.33 1i7s s GLY 83 N 1.58 1.59 -0.17 6.18 0.00 -0.74 -0.30 107.32 115.46 1i7s s GLY 83 Ca 0.06 -0.88 -0.03 0.00 0.00 0.00 0.00 44.72 43.87 1i7s s GLY 83 CO 0.02 -0.23 -0.04 -0.42 0.00 0.00 0.00 173.10 172.42 1i7s s ILE 84 N 0.20 3.72 0.00 0.90 -1.09 0.11 -1.68 121.20 123.36 1i7s s ILE 84 Ca -0.06 -0.41 0.00 0.00 -2.23 0.00 0.00 60.65 57.95 1i7s s ILE 84 Cb -0.15 -2.64 0.00 0.00 -1.58 0.00 0.00 42.46 38.09 1i7s s ILE 84 CO 0.04 0.48 0.00 0.00 -1.23 0.00 0.00 174.94 174.23 1i7s h LEU 86 N 0.00 0.28 0.63 0.00 5.85 -1.82 0.55 115.31 120.80 1i7s h LEU 86 Ca 0.00 -0.01 -0.03 0.00 0.84 0.00 0.00 57.88 58.68 1i7s h LEU 86 Cb 0.00 -0.07 0.00 0.00 0.37 0.00 0.00 40.66 40.96 1i7s h LEU 86 CO 0.00 0.20 -0.31 1.23 -0.34 0.00 0.00 178.44 179.22 1i7s h GLY 87 N 0.33 -0.90 0.65 3.75 0.00 -0.47 -1.14 103.07 105.30 1i7s h GLY 87 Ca 0.09 0.34 0.14 0.00 0.00 0.00 0.00 47.33 47.90 1i7s h GLY 87 CO -0.02 -0.33 0.53 0.84 0.00 0.00 0.00 176.54 177.56 1i7s h HIS 88 N -0.86 0.63 -0.19 5.60 -0.00 -1.12 -2.33 115.15 116.88 1i7s h HIS 88 Ca -0.08 0.02 -0.09 0.00 -0.00 0.00 0.00 60.37 60.22 1i7s h HIS 88 Cb 0.66 -0.20 -0.00 0.00 -0.00 0.00 0.00 27.41 27.87 1i7s h HIS 88 CO -0.04 0.25 -0.22 1.96 -0.00 0.00 0.00 177.93 179.88 1i7s h GLN 89 N 0.55 0.48 -0.38 5.26 4.20 -0.54 -2.50 115.11 122.19 1i7s h GLN 89 Ca 0.39 -0.27 0.06 0.00 0.06 0.00 0.00 58.65 58.90 1i7s h GLN 89 Cb 0.75 0.01 -0.05 0.00 0.30 0.00 0.00 27.48 28.49 1i7s h GLN 89 CO -0.15 0.85 0.06 0.00 -0.67 0.00 0.00 178.83 178.91 1i7s h ALA 90 N 0.63 0.39 -0.18 3.87 0.00 -0.91 -0.13 119.26 122.93 1i7s h ALA 90 Ca 0.03 0.08 0.05 0.00 0.00 0.00 0.00 54.91 55.07 1i7s h ALA 90 Cb 0.77 0.12 -0.07 0.00 0.00 0.00 0.00 17.79 18.61 1i7s h ALA 90 CO 0.05 -0.35 -0.36 0.82 0.00 0.00 0.00 179.25 179.42 1i7s h ILE 91 N 0.17 0.22 -0.20 0.00 2.04 -1.30 0.25 117.51 118.69 1i7s h ILE 91 Ca 0.18 0.00 0.05 0.00 1.00 0.00 0.00 64.86 66.09 1i7s h ILE 91 Cb 0.23 0.22 -0.07 0.00 -0.74 0.00 0.00 36.82 36.46 1i7s h ILE 91 CO -0.26 0.00 -0.40 0.58 0.00 0.00 0.00 178.15 178.07 1i7s h VAL 92 N -0.41 0.17 -0.94 1.67 2.07 -0.92 -0.60 116.25 117.28 1i7s h VAL 92 Ca 0.10 0.00 0.18 0.00 0.82 0.00 0.00 66.70 67.80 1i7s h VAL 92 Cb 0.57 0.17 -0.08 0.00 -1.52 0.00 0.00 31.29 30.43 1i7s h VAL 92 CO -0.40 0.00 0.60 -0.33 0.02 0.00 0.00 177.57 177.46 1i7s h GLU 93 N -0.43 0.61 0.00 1.57 5.08 0.65 0.90 114.58 122.96 1i7s h GLU 93 Ca 0.10 -0.04 -0.01 0.00 -1.00 0.00 0.00 59.36 58.41 1i7s h GLU 93 Cb 0.60 -0.14 -0.00 0.00 0.50 0.00 0.00 28.75 29.71 1i7s h GLU 93 CO -0.44 0.40 -0.05 0.00 -1.00 0.00 0.00 179.01 177.93 1i7s h ALA 94 N 1.61 1.14 -0.17 3.43 0.00 1.00 -0.89 119.26 125.39 1i7s h ALA 94 Ca 0.50 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 55.37 1i7s h ALA 94 Cb 0.95 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.73 1i7s h ALA 94 CO -0.26 0.06 0.00 0.66 0.00 0.00 0.00 179.25 179.71 1i7s n TYR 95 N -3.35 0.60 -0.02 0.00 4.02 -0.27 -4.97 117.16 113.17 1i7s n TYR 95 Ca -0.02 -0.91 0.00 0.00 -0.01 0.00 0.00 57.90 56.96 1i7s n TYR 95 Cb 0.19 -0.25 0.00 0.00 -0.02 0.00 0.00 39.34 39.26 1i7s n TYR 95 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 1i7s n GLY 96 N -0.81 0.29 0.00 2.72 0.00 -0.34 -4.72 105.19 102.33 1i7s n GLY 96 Ca 0.19 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.21 1i7s n GLY 96 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1i7s n GLY 97 N -2.00 -2.68 0.00 -0.02 0.00 0.15 -4.88 105.19 95.77 1i7s n GLY 97 Ca 0.00 -1.07 0.00 0.00 0.00 0.00 0.00 46.02 44.95 1i7s n GLY 97 CO 0.00 0.00 0.00 -0.18 0.00 0.00 0.00 173.32 173.14 1i7s n GLN 98 N 0.00 0.00 -0.95 1.61 0.00 -1.01 -4.66 117.38 112.38 1i7s n GLN 98 Ca 0.00 0.00 0.12 0.00 -0.00 0.00 0.00 57.00 57.12 1i7s n GLN 98 Cb 0.00 0.00 -0.04 0.00 0.00 0.00 0.00 30.24 30.20 1i7s n GLN 98 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.06 177.34 1i7s n VAL 99 N 0.00 0.00 0.00 1.69 0.31 -1.26 -4.67 118.33 114.40 1i7s n VAL 99 Ca 0.00 0.22 0.00 0.00 -0.01 0.00 0.00 64.34 64.55 1i7s n VAL 99 Cb 0.00 -0.54 0.00 0.00 -0.91 0.00 0.00 33.84 32.39 1i7s n VAL 99 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 1i7s n GLY 100 N -3.51 2.12 2.88 2.92 0.00 -1.26 -4.77 105.19 103.57 1i7s n GLY 100 Ca -0.02 -0.39 -0.50 0.00 0.00 0.00 0.00 46.02 45.12 1i7s n GLY 100 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 1i7s n GLN 101 N 0.00 0.00 -3.22 1.61 3.00 -1.26 -2.32 117.38 115.19 1i7s n GLN 101 Ca 0.00 0.00 -0.14 0.00 -0.01 0.00 0.00 57.00 56.85 1i7s n GLN 101 Cb 0.00 -1.21 0.08 0.00 0.00 0.00 0.00 30.24 29.11 1i7s n GLN 101 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.06 177.06 1i7s n ALA 102 N 1.78 -1.73 -1.54 -1.58 0.00 -1.26 -1.14 120.51 115.04 1i7s n ALA 102 Ca 0.19 -0.05 -0.41 0.00 0.00 0.00 0.00 53.44 53.17 1i7s n ALA 102 Cb 0.03 -2.16 -0.04 0.00 0.00 0.00 0.00 19.45 17.28 1i7s n ALA 102 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1i7s n GLY 103 N -1.11 2.88 0.00 0.00 0.00 -0.98 -4.18 105.19 101.80 1i7s n GLY 103 Ca -0.25 -1.30 0.00 0.00 0.00 0.00 0.00 46.02 44.47 1i7s n GLY 103 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1i7s n GLU 104 N 7.03 0.00 0.00 1.61 -0.58 -1.26 -4.69 120.64 122.75 1i7s n GLU 104 Ca 0.50 0.00 0.00 0.00 -0.42 0.00 0.00 57.16 57.24 1i7s n GLU 104 Cb 0.41 -0.25 0.00 0.00 -0.57 0.00 0.00 31.44 31.03 1i7s n GLU 104 CO 0.00 0.00 0.00 -0.89 -0.48 0.00 0.00 177.13 175.76 1i7s n ILE 105 N 0.00 0.00 0.00 -3.67 5.41 -1.26 -4.72 119.36 115.11 1i7s n ILE 105 Ca 0.00 0.00 0.00 0.00 1.00 0.00 0.00 62.75 63.75 1i7s n ILE 105 Cb 0.00 0.00 0.00 0.00 -0.71 0.00 0.00 39.64 38.93 1i7s n ILE 105 CO 0.00 0.00 0.00 0.18 0.00 0.00 0.00 176.55 176.73 1i7s n LEU 106 N -1.39 0.00 0.00 1.39 4.77 -1.26 -5.03 117.00 115.47 1i7s n LEU 106 Ca 0.00 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 55.98 1i7s n LEU 106 Cb 0.00 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.09 1i7s n LEU 106 CO 0.00 0.00 0.00 1.41 -1.33 0.00 0.00 177.39 177.47 1i7s n HIS 107 N 0.00 0.00 0.00 -1.77 8.25 -1.26 -4.61 115.22 115.83 1i7s n HIS 107 Ca 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.46 1i7s n HIS 107 Cb 0.00 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.11 1i7s n HIS 107 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1i7s n GLY 108 N 0.00 0.00 0.52 -1.41 0.00 -1.26 -4.84 105.19 98.21 1i7s n GLY 108 Ca 0.00 0.00 0.05 0.00 0.00 0.00 0.00 46.02 46.07 1i7s n GLY 108 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1i7s n LYS 109 N -0.35 -0.84 0.00 1.61 4.01 -1.26 -5.06 118.16 116.27 1i7s n LYS 109 Ca 0.00 0.58 0.00 0.00 -0.51 0.00 0.00 58.31 58.38 1i7s n LYS 109 Cb 0.00 -1.13 0.00 0.00 -0.51 0.00 0.00 35.03 33.39 1i7s n LYS 109 CO 0.00 0.00 0.00 0.00 -1.11 0.00 0.00 177.40 176.29 1i7s n ALA 110 N -1.44 0.00 -2.74 7.82 0.00 -1.26 -5.06 120.51 117.83 1i7s n ALA 110 Ca -0.00 0.00 -0.35 0.00 0.00 0.00 0.00 53.44 53.09 1i7s n ALA 110 Cb 0.55 0.00 -0.08 0.00 0.00 0.00 0.00 19.45 19.91 1i7s n ALA 110 CO 0.00 0.00 0.00 -1.12 0.00 0.00 0.00 177.50 176.38 1i7s s SER 111 N 0.00 6.09 -0.48 0.00 0.01 -0.38 -4.81 113.70 114.13 1i7s s SER 111 Ca 0.00 0.19 -0.23 0.00 1.31 0.00 0.00 55.95 57.22 1i7s s SER 111 Cb 0.00 -2.07 0.03 0.00 0.21 0.00 0.00 66.02 64.19 1i7s s SER 111 CO 0.00 0.17 0.81 0.00 0.41 0.00 0.00 173.24 174.62 1i7s s ALA 112 N 0.45 3.27 0.24 1.44 0.00 -1.26 0.31 121.76 126.20 1i7s s ALA 112 Ca 0.07 -1.13 -0.07 0.00 0.00 0.00 0.00 51.96 50.83 1i7s s ALA 112 Cb -0.12 -3.53 -0.06 0.00 0.00 0.00 0.00 23.12 19.41 1i7s s ALA 112 CO -0.01 -2.05 0.53 0.96 0.00 0.00 0.00 175.76 175.19 1i7s s ILE 113 N 3.40 5.00 -0.20 0.00 -4.36 0.42 -4.61 121.20 120.84 1i7s s ILE 113 Ca 0.29 0.27 -0.08 0.00 -0.26 0.00 0.00 60.65 60.87 1i7s s ILE 113 Cb -0.13 -3.65 -0.04 0.00 1.25 0.00 0.00 42.46 39.89 1i7s s ILE 113 CO 0.21 -0.14 0.07 0.00 0.24 0.00 0.00 174.94 175.33 1i7s s ALA 114 N -1.88 3.38 0.00 2.27 0.00 0.58 0.15 121.76 126.25 1i7s s ALA 114 Ca 0.45 -0.83 0.00 0.00 0.00 0.00 0.00 51.96 51.58 1i7s s ALA 114 Cb -0.11 -1.99 0.00 0.00 0.00 0.00 0.00 23.12 21.02 1i7s s ALA 114 CO 0.25 0.02 0.00 -2.39 0.00 0.00 0.00 175.76 173.63 1i7s n HIS 115 N 3.87 -0.83 -0.26 0.00 1.44 -1.26 -0.87 115.22 117.31 1i7s n HIS 115 Ca -0.16 0.00 0.07 0.00 -2.01 0.00 0.00 57.72 55.61 1i7s n HIS 115 Cb 0.52 0.00 0.19 0.00 0.12 0.00 0.00 29.99 30.82 1i7s n HIS 115 CO 0.00 0.00 0.00 -0.40 -2.81 0.00 0.00 176.34 173.13 1i7s n ASP 116 N -1.05 3.17 -1.90 4.39 5.68 -0.46 -4.87 116.55 121.51 1i7s n ASP 116 Ca 0.00 -2.07 -0.19 0.00 -0.50 0.00 0.00 54.79 52.02 1i7s n ASP 116 Cb 0.00 -0.29 -0.05 0.00 -1.14 0.00 0.00 41.12 39.63 1i7s n ASP 116 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1i7s n GLY 117 N 0.62 0.91 3.49 6.12 0.00 -1.26 -4.97 105.19 110.09 1i7s n GLY 117 Ca 0.14 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.92 1i7s n GLY 117 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1i7s s GLU 118 N -4.20 1.70 5.43 1.61 2.02 -1.26 -4.09 118.70 119.91 1i7s s GLU 118 Ca 0.00 -1.85 0.00 0.00 0.02 0.00 0.00 54.97 53.14 1i7s s GLU 118 Cb 0.00 -1.56 0.00 0.00 0.10 0.00 0.00 34.13 32.67 1i7s s GLU 118 CO 0.00 0.16 0.00 0.41 0.02 0.00 0.00 175.26 175.85 1i7s n GLY 119 N -0.69 3.66 0.24 -1.39 0.00 -1.26 -1.21 105.19 104.55 1i7s n GLY 119 Ca -0.05 0.21 -0.03 0.00 0.00 0.00 0.00 46.02 46.15 1i7s n GLY 119 CO 0.00 0.00 0.00 -0.33 0.00 0.00 0.00 173.32 172.99 1i7s h MET 120 N 0.00 0.64 0.00 1.61 2.86 -1.94 -2.14 114.93 115.96 1i7s h MET 120 Ca 0.00 -0.04 0.00 0.00 -2.06 0.00 0.00 59.70 57.60 1i7s h MET 120 Cb 0.00 -0.14 0.00 0.00 0.06 0.00 0.00 31.60 31.52 1i7s h MET 120 CO 0.00 0.42 0.00 1.19 1.06 0.00 0.00 176.91 179.58 1i7s n PHE 121 N -4.79 0.00 -2.15 -0.22 3.72 -0.35 -4.72 117.46 108.95 1i7s n PHE 121 Ca 0.07 0.00 -0.42 0.00 -0.05 0.00 0.00 57.45 57.05 1i7s n PHE 121 Cb 0.14 0.00 -0.03 0.00 -0.94 0.00 0.00 39.48 38.65 1i7s n PHE 121 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 1i7s s ALA 122 N -2.00 3.61 0.00 4.37 0.00 -0.81 -2.48 121.76 124.45 1i7s s ALA 122 Ca 0.16 0.99 0.00 0.00 0.00 0.00 0.00 51.96 53.11 1i7s s ALA 122 Cb 0.07 -3.61 0.00 0.00 0.00 0.00 0.00 23.12 19.58 1i7s s ALA 122 CO 0.12 -0.91 0.00 0.41 0.00 0.00 0.00 175.76 175.38 1i7s n GLY 123 N 3.70 1.00 3.82 0.00 0.00 -1.26 -5.01 105.19 107.44 1i7s n GLY 123 Ca 0.13 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.77 1i7s n GLY 123 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 1i7s s MET 124 N -0.40 4.12 0.53 1.61 1.00 -1.03 -5.04 119.30 120.08 1i7s s MET 124 Ca 0.00 0.65 -0.19 0.00 0.00 0.00 0.00 55.69 56.15 1i7s s MET 124 Cb 0.00 -3.19 -0.11 0.00 0.00 0.00 0.00 34.83 31.53 1i7s s MET 124 CO 0.00 0.62 0.38 0.00 0.00 0.00 0.00 175.02 176.02 1i7s n ALA 125 N 1.60 -1.65 -3.58 3.03 0.00 -1.26 -4.97 120.51 113.67 1i7s n ALA 125 Ca -0.10 0.00 -0.14 0.00 0.00 0.00 0.00 53.44 53.20 1i7s n ALA 125 Cb 0.51 -1.72 -0.12 0.00 0.00 0.00 0.00 19.45 18.12 1i7s n ALA 125 CO 0.00 0.00 0.00 1.21 0.00 0.00 0.00 177.50 178.71 1i7s s ASN 126 N -1.09 0.58 1.13 0.00 2.47 -1.26 -3.57 114.94 113.20 1i7s s ASN 126 Ca 0.65 0.35 -0.12 0.00 0.42 0.00 0.00 52.86 54.16 1i7s s ASN 126 Cb -0.48 0.68 0.27 0.00 -1.45 0.00 0.00 41.25 40.27 1i7s s ASN 126 CO 0.58 -0.27 1.05 -2.16 -3.72 0.00 0.00 177.10 172.58 1i7s s PRO 127 N 2.42 -0.68 -0.19 0.43 0.04 -1.26 -5.06 135.00 130.69 1i7s s PRO 127 Ca 0.04 1.01 -0.00 0.00 0.04 0.00 0.00 61.00 62.09 1i7s s PRO 127 Cb -0.13 -1.57 0.01 0.00 0.04 0.00 0.00 34.50 32.85 1i7s s PRO 127 CO -0.10 -3.62 -0.15 -1.17 0.04 0.00 0.00 177.00 172.00 1i7s s LEU 128 N -7.17 2.37 -0.06 -3.56 2.96 0.39 -4.82 118.68 108.78 1i7s s LEU 128 Ca 0.68 -0.59 -0.30 0.00 -0.22 0.00 0.00 54.13 53.71 1i7s s LEU 128 Cb -0.25 -1.55 -0.04 0.00 0.50 0.00 0.00 46.19 44.85 1i7s s LEU 128 CO 0.64 -0.01 1.31 -2.16 -1.32 0.00 0.00 176.35 174.81 1i7s s PRO 129 N 1.34 4.29 0.02 0.98 0.04 -1.26 0.16 135.00 140.57 1i7s s PRO 129 Ca 0.05 1.80 0.00 0.00 0.04 0.00 0.00 61.00 62.89 1i7s s PRO 129 Cb -0.13 -3.64 -0.02 0.00 0.04 0.00 0.00 34.50 30.75 1i7s s PRO 129 CO -0.10 -0.57 -0.03 0.14 0.04 0.00 0.00 177.00 176.48 1i7s s VAL 130 N 2.69 0.11 0.05 -0.36 -7.23 0.15 -4.21 120.40 111.59 1i7s s VAL 130 Ca 0.59 -0.76 -0.30 0.00 -1.81 0.00 0.00 61.98 59.70 1i7s s VAL 130 Cb -0.27 -0.23 -0.05 0.00 0.56 0.00 0.00 36.38 36.39 1i7s s VAL 130 CO 0.22 -0.41 1.18 0.00 -0.31 0.00 0.00 175.10 175.78 1i7s s ALA 131 N -1.21 3.37 -0.04 1.32 0.00 -1.26 -1.25 121.76 122.70 1i7s s ALA 131 Ca -0.13 0.80 0.07 0.00 0.00 0.00 0.00 51.96 52.70 1i7s s ALA 131 Cb -0.08 -3.44 -0.01 0.00 0.00 0.00 0.00 23.12 19.58 1i7s s ALA 131 CO -0.01 -0.43 -0.24 1.03 0.00 0.00 0.00 175.76 176.11 1i7s s ARG 132 N 1.13 2.17 0.00 0.00 0.52 -1.26 -0.02 118.95 121.49 1i7s s ARG 132 Ca 0.58 -0.86 0.02 0.00 -0.52 0.00 0.00 55.73 54.95 1i7s s ARG 132 Cb -0.28 -1.97 0.06 0.00 0.52 0.00 0.00 34.95 33.28 1i7s s ARG 132 CO 0.29 0.44 1.05 0.66 0.02 0.00 0.00 175.30 177.76 1i7s n TYR 133 N 2.72 0.10 -3.78 -0.53 4.02 -1.26 -4.84 117.16 113.58 1i7s n TYR 133 Ca -0.17 -0.49 -0.13 0.00 -0.01 0.00 0.00 57.90 57.10 1i7s n TYR 133 Cb 0.52 -0.04 -0.10 0.00 -0.02 0.00 0.00 39.34 39.69 1i7s n TYR 133 CO 0.00 0.00 0.00 -1.01 -1.01 0.00 0.00 176.86 174.84 1i7s s HIS 134 N -0.99 -0.24 0.46 -0.72 3.76 -1.26 -4.88 115.29 111.42 1i7s s HIS 134 Ca 0.05 0.52 0.04 0.00 -0.15 0.00 0.00 55.06 55.52 1i7s s HIS 134 Cb 0.03 0.09 0.04 0.00 1.11 0.00 0.00 32.58 33.85 1i7s s HIS 134 CO 0.03 -0.26 0.32 0.45 -0.85 0.00 0.00 174.74 174.43 1i7s n SER 135 N 2.16 2.52 0.00 1.40 2.88 -1.26 -4.92 113.62 116.40 1i7s n SER 135 Ca -0.17 -2.60 0.00 0.00 -1.33 0.00 0.00 58.87 54.77 1i7s n SER 135 Cb 0.57 -0.01 0.00 0.00 -0.75 0.00 0.00 64.21 64.02 1i7s n SER 135 CO 0.00 0.00 0.00 0.18 -1.23 0.00 0.00 175.04 173.99 1i7s n LEU 136 N 0.00 0.00 0.00 2.46 4.77 -1.26 -4.42 117.00 118.55 1i7s n LEU 136 Ca -0.03 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 55.95 1i7s n LEU 136 Cb 0.52 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.61 1i7s n LEU 136 CO 0.31 0.00 0.00 0.52 -1.33 0.00 0.00 177.39 176.89 1i7s n VAL 137 N 0.00 -0.40 0.11 4.08 0.31 -0.29 -4.79 118.33 117.35 1i7s n VAL 137 Ca 0.00 0.00 -0.05 0.00 -0.01 0.00 0.00 64.34 64.28 1i7s n VAL 137 Cb 0.00 -0.03 -0.02 0.00 -0.91 0.00 0.00 33.84 32.88 1i7s n VAL 137 CO 0.00 0.00 0.00 1.23 -1.32 0.00 0.00 176.83 176.74 1i7s h GLY 138 N 0.00 -0.32 -3.88 2.92 0.00 -1.91 -3.48 103.07 96.40 1i7s h GLY 138 Ca 0.00 0.12 0.00 0.00 0.00 0.00 0.00 47.33 47.45 1i7s h GLY 138 CO 0.00 -0.12 -0.97 -1.26 0.00 0.00 0.00 176.54 174.19 1i7s n SER 139 N -3.28 -8.89 -4.03 0.19 2.88 -1.26 -4.94 113.62 94.29 1i7s n SER 139 Ca -0.04 1.54 -0.22 0.00 -1.33 0.00 0.00 58.87 58.82 1i7s n SER 139 Cb 0.12 -5.16 -0.16 0.00 -0.75 0.00 0.00 64.21 58.26 1i7s n SER 139 CO 0.00 0.00 0.00 0.21 -1.23 0.00 0.00 175.04 174.02 1i7s s ASN 140 N -4.22 1.42 -0.04 -3.46 2.47 -1.26 -4.83 114.94 105.02 1i7s s ASN 140 Ca 0.00 -0.22 0.02 0.00 0.42 0.00 0.00 52.86 53.07 1i7s s ASN 140 Cb 0.00 -0.40 -0.03 0.00 -1.45 0.00 0.00 41.25 39.37 1i7s s ASN 140 CO 0.00 0.08 -0.06 -0.63 -3.72 0.00 0.00 177.10 172.77 1i7s s ILE 141 N 0.20 3.72 -0.01 -5.21 -1.09 -1.26 -2.40 121.20 115.15 1i7s s ILE 141 Ca -0.04 -0.59 -0.18 0.00 -2.23 0.00 0.00 60.65 57.61 1i7s s ILE 141 Cb -0.10 -2.56 -0.05 0.00 -1.58 0.00 0.00 42.46 38.17 1i7s s ILE 141 CO 0.01 0.51 0.49 -2.16 -1.23 0.00 0.00 174.94 172.56 1i7s s PRO 142 N -1.08 4.15 0.74 2.79 0.05 -1.26 -4.95 135.00 135.44 1i7s s PRO 142 Ca 0.15 0.54 -0.17 0.00 0.05 0.00 0.00 61.00 61.57 1i7s s PRO 142 Cb -0.11 -3.30 -0.11 0.00 0.05 0.00 0.00 34.50 31.03 1i7s s PRO 142 CO 0.04 0.49 -0.10 0.00 0.05 0.00 0.00 177.00 177.48 1i7s n ALA 143 N 2.42 -3.30 -4.03 8.56 0.00 -1.26 -2.23 120.51 120.67 1i7s n ALA 143 Ca -0.10 -0.32 -0.35 0.00 0.00 0.00 0.00 53.44 52.66 1i7s n ALA 143 Cb 0.52 -1.48 -0.07 0.00 0.00 0.00 0.00 19.45 18.41 1i7s n ALA 143 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 1i7s n ASP 145 N 1.76 -1.37 -3.81 0.00 9.92 -1.26 -4.79 116.55 117.00 1i7s n ASP 145 Ca 0.06 -1.04 -0.30 0.00 -0.53 0.00 0.00 54.79 52.98 1i7s n ASP 145 Cb 0.51 -1.33 -0.14 0.00 -0.64 0.00 0.00 41.12 39.53 1i7s n ASP 145 CO 0.00 0.00 0.00 -0.22 0.13 0.00 0.00 177.20 177.11 1i7s s LEU 146 N -6.21 3.28 -0.30 0.64 2.96 -0.95 -4.74 118.68 113.36 1i7s s LEU 146 Ca 0.65 -2.49 -0.29 0.00 -0.22 0.00 0.00 54.13 51.78 1i7s s LEU 146 Cb -0.38 -1.23 -0.01 0.00 0.50 0.00 0.00 46.19 45.07 1i7s s LEU 146 CO 0.85 -0.30 1.56 -0.89 -1.32 0.00 0.00 176.35 176.25 1i7s s THR 147 N 0.48 3.77 -0.72 3.68 2.01 -0.28 -4.80 115.64 119.77 1i7s s THR 147 Ca 0.15 0.83 -0.26 0.00 0.31 0.00 0.00 61.69 62.72 1i7s s THR 147 Cb -0.23 -3.88 0.01 0.00 0.01 0.00 0.00 72.50 68.40 1i7s s THR 147 CO -0.05 -0.46 1.55 -0.69 -0.69 0.00 0.00 174.62 174.28 1i7s s VAL 148 N 5.49 3.58 -2.21 3.82 1.01 -1.26 -0.15 120.40 130.68 1i7s s VAL 148 Ca 0.68 0.20 0.19 0.00 0.00 0.00 0.00 61.98 63.06 1i7s s VAL 148 Cb -0.20 -4.51 0.43 0.00 0.00 0.00 0.00 36.38 32.10 1i7s s VAL 148 CO 0.30 -1.46 1.44 -0.46 0.00 0.00 0.00 175.10 174.92 1i7s n ASN 149 N 10.86 2.41 -3.58 3.32 6.94 -1.22 -4.92 115.26 129.07 1i7s n ASN 149 Ca 0.14 -1.89 -0.13 0.00 -0.02 0.00 0.00 54.58 52.68 1i7s n ASN 149 Cb 0.50 -0.22 -0.06 0.00 -2.36 0.00 0.00 39.78 37.64 1i7s n ASN 149 CO 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 177.26 176.23 1i7s s ALA 150 N -1.56 -1.86 0.29 -2.53 0.00 -1.26 -1.36 121.76 113.49 1i7s s ALA 150 Ca 0.33 1.65 -0.07 0.00 0.00 0.00 0.00 51.96 53.88 1i7s s ALA 150 Cb 0.18 -0.73 -0.00 0.00 0.00 0.00 0.00 23.12 22.57 1i7s s ALA 150 CO 0.26 -0.32 0.44 1.03 0.00 0.00 0.00 175.76 177.17 1i7s s ARG 151 N -0.55 1.69 -0.28 0.00 0.52 -0.05 -0.60 118.95 119.68 1i7s s ARG 151 Ca -0.03 -1.53 -0.05 0.00 -0.52 0.00 0.00 55.73 53.59 1i7s s ARG 151 Cb -0.02 0.44 0.15 0.00 0.52 0.00 0.00 34.95 36.04 1i7s s ARG 151 CO 0.03 -0.69 0.57 0.12 0.02 0.00 0.00 175.30 175.34 1i7s s PHE 152 N -3.54 -1.33 0.00 -0.53 5.36 -0.41 -0.31 117.98 117.22 1i7s s PHE 152 Ca 0.28 1.80 0.00 0.00 -0.96 0.00 0.00 56.93 58.05 1i7s s PHE 152 Cb 0.00 0.56 0.00 0.00 -0.34 0.00 0.00 43.02 43.24 1i7s s PHE 152 CO 0.15 -0.74 0.00 0.41 -1.46 0.00 0.00 175.22 173.57 1i7s n GLY 153 N 5.42 3.62 2.78 13.12 0.00 -1.26 -1.32 105.19 127.56 1i7s n GLY 153 Ca -0.06 -0.10 -0.38 0.00 0.00 0.00 0.00 46.02 45.48 1i7s n GLY 153 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1i7s n GLU 154 N 13.98 3.83 -3.81 1.61 -0.58 -1.26 -4.93 120.64 129.48 1i7s n GLU 154 Ca 0.00 -4.12 -0.13 0.00 -0.42 0.00 0.00 57.16 52.50 1i7s n GLU 154 Cb 0.00 -2.34 -0.13 0.00 -0.57 0.00 0.00 31.44 28.40 1i7s n GLU 154 CO 0.00 0.00 0.00 -1.64 -0.48 0.00 0.00 177.13 175.01 1i7s s MET 155 N -4.09 0.14 -0.17 3.49 -1.94 -0.43 -5.01 119.30 111.30 1i7s s MET 155 Ca 0.47 0.21 -0.21 0.00 -1.71 0.00 0.00 55.69 54.45 1i7s s MET 155 Cb 0.33 0.04 -0.03 0.00 2.01 0.00 0.00 34.83 37.18 1i7s s MET 155 CO -0.27 -0.04 0.63 0.08 -0.01 0.00 0.00 175.02 175.40 1i7s s VAL 156 N 0.23 5.04 -0.07 -6.03 1.01 -1.26 -1.28 120.40 118.04 1i7s s VAL 156 Ca -0.01 1.21 0.11 0.00 0.00 0.00 0.00 61.98 63.28 1i7s s VAL 156 Cb -0.02 -3.95 -0.16 0.00 0.00 0.00 0.00 36.38 32.25 1i7s s VAL 156 CO -0.01 0.15 0.13 0.23 0.00 0.00 0.00 175.10 175.60 1i7s n MET 157 N 4.70 1.46 -4.20 2.72 2.81 0.23 -4.78 117.12 120.07 1i7s n MET 157 Ca -0.02 -0.05 -0.12 0.00 -1.81 0.00 0.00 57.70 55.71 1i7s n MET 157 Cb 0.50 -1.28 -0.10 0.00 -0.71 0.00 0.00 33.22 31.63 1i7s n MET 157 CO 0.00 0.00 0.00 0.00 1.51 0.00 0.00 175.97 177.48 1i7s s ALA 158 N -2.49 1.12 -0.22 3.04 0.00 -0.97 -0.82 121.76 121.42 1i7s s ALA 158 Ca -0.05 -1.54 -0.27 0.00 0.00 0.00 0.00 51.96 50.10 1i7s s ALA 158 Cb 0.05 0.72 0.08 0.00 0.00 0.00 0.00 23.12 23.97 1i7s s ALA 158 CO 0.47 -0.41 0.77 0.08 0.00 0.00 0.00 175.76 176.67 1i7s s VAL 159 N -3.85 0.00 -0.11 0.00 1.01 -0.78 -3.39 120.40 113.28 1i7s s VAL 159 Ca 0.24 0.00 -0.11 0.00 0.00 0.00 0.00 61.98 62.11 1i7s s VAL 159 Cb 0.07 -1.00 0.03 0.00 0.00 0.00 0.00 36.38 35.48 1i7s s VAL 159 CO 0.03 0.00 0.31 0.00 0.00 0.00 0.00 175.10 175.44 1i7s s ARG 160 N -0.05 0.39 -0.48 2.72 1.70 0.78 -0.52 118.95 123.49 1i7s s ARG 160 Ca -0.02 0.36 0.03 0.00 -0.47 0.00 0.00 55.73 55.64 1i7s s ARG 160 Cb -0.04 0.19 0.13 0.00 -0.57 0.00 0.00 34.95 34.66 1i7s s ARG 160 CO 0.02 -0.06 0.24 0.34 -1.08 0.00 0.00 175.30 174.76 1i7s s ASP 161 N 0.01 4.16 0.26 -2.89 -1.08 0.18 -1.13 116.67 116.19 1i7s s ASP 161 Ca -0.01 -2.83 -0.02 0.00 -0.52 0.00 0.00 52.55 49.17 1i7s s ASP 161 Cb -0.02 -1.47 0.56 0.00 -1.46 0.00 0.00 42.92 40.53 1i7s s ASP 161 CO 0.01 -0.25 1.69 0.44 0.52 0.00 0.00 175.17 177.58 1i7s h ASP 162 N 6.66 0.14 -0.06 -0.34 3.32 -1.90 0.60 116.42 124.84 1i7s h ASP 162 Ca -0.06 0.15 -0.03 0.00 0.02 0.00 0.00 57.03 57.10 1i7s h ASP 162 Cb 0.91 0.17 -0.00 0.00 0.22 0.00 0.00 39.33 40.63 1i7s h ASP 162 CO 0.62 -0.01 -0.10 0.03 -1.72 0.00 0.00 179.24 178.06 1i7s h ARG 163 N 0.33 0.17 0.00 3.56 -0.00 -1.95 -2.96 114.38 113.53 1i7s h ARG 163 Ca 0.47 -0.10 0.00 0.00 -0.50 0.00 0.00 59.98 59.85 1i7s h ARG 163 Cb 0.83 0.01 0.00 0.00 0.00 0.00 0.00 29.97 30.81 1i7s h ARG 163 CO -0.51 0.67 0.00 0.54 0.00 0.00 0.00 179.97 180.66 1i7s n ARG 164 N -4.67 0.01 -3.69 0.04 1.74 -0.73 -4.88 116.66 104.48 1i7s n ARG 164 Ca -0.08 0.18 -0.23 0.00 -0.77 0.00 0.00 57.85 56.96 1i7s n ARG 164 Cb 0.34 -1.50 0.05 0.00 -1.02 0.00 0.00 32.46 30.32 1i7s n ARG 164 CO 0.00 0.00 0.00 -2.13 -1.52 0.00 0.00 177.63 173.98 1i7s n ARG 165 N -1.49 -5.67 -4.91 5.56 3.00 0.20 -4.24 116.66 109.11 1i7s n ARG 165 Ca 0.05 0.68 -0.26 0.00 -0.00 0.00 0.00 57.85 58.31 1i7s n ARG 165 Cb 0.21 -5.44 -0.16 0.00 0.00 0.00 0.00 32.46 27.07 1i7s n ARG 165 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.63 177.71 1i7s s VAL 166 N -3.50 1.50 -0.18 5.15 1.01 -1.01 -2.28 120.40 121.09 1i7s s VAL 166 Ca 0.22 -0.79 -0.24 0.00 0.00 0.00 0.00 61.98 61.17 1i7s s VAL 166 Cb -0.10 -1.26 0.06 0.00 0.00 0.00 0.00 36.38 35.08 1i7s s VAL 166 CO 0.79 0.43 0.62 0.00 0.00 0.00 0.00 175.10 176.94 1i7s s GLY 168 N -0.11 1.65 -0.26 0.00 0.00 0.33 -1.80 107.32 107.13 1i7s s GLY 168 Ca -0.03 -1.35 0.02 0.00 0.00 0.00 0.00 44.72 43.36 1i7s s GLY 168 CO 0.03 -1.31 -0.04 -1.36 0.00 0.00 0.00 173.10 170.41 1i7s s PHE 169 N -1.10 2.85 -0.09 1.90 2.99 -0.68 -1.87 117.98 121.99 1i7s s PHE 169 Ca 0.17 -2.14 -0.00 0.00 0.00 0.00 0.00 56.93 54.96 1i7s s PHE 169 Cb -0.10 -1.92 0.06 0.00 0.00 0.00 0.00 43.02 41.06 1i7s s PHE 169 CO 0.09 -0.84 1.97 0.94 -0.00 0.00 0.00 175.22 177.37 1i7s n GLN 170 N 4.54 1.22 -3.76 0.44 -0.06 -0.00 -0.17 117.38 119.59 1i7s n GLN 170 Ca -0.09 -0.44 -0.08 0.00 -2.00 0.00 0.00 57.00 54.39 1i7s n GLN 170 Cb 0.43 -1.17 -0.02 0.00 -4.06 0.00 0.00 30.24 25.42 1i7s n GLN 170 CO 0.00 0.00 0.00 -0.59 -0.20 0.00 0.00 177.06 176.27 1i7s s PHE 171 N -0.51 -0.25 -0.73 3.69 -0.12 -1.26 -4.85 117.98 113.95 1i7s s PHE 171 Ca 0.09 -0.15 -0.16 0.00 -0.05 0.00 0.00 56.93 56.65 1i7s s PHE 171 Cb 0.07 0.65 0.16 0.00 -0.63 0.00 0.00 43.02 43.28 1i7s s PHE 171 CO -0.00 -1.14 0.74 -1.01 -0.05 0.00 0.00 175.22 173.76 1i7s s HIS 172 N -3.88 3.41 -1.80 3.49 3.76 0.97 -4.44 115.29 116.80 1i7s s HIS 172 Ca 0.09 -1.55 0.21 0.00 -0.15 0.00 0.00 55.06 53.66 1i7s s HIS 172 Cb -0.05 -3.92 1.21 0.00 1.11 0.00 0.00 32.58 30.94 1i7s s HIS 172 CO 0.02 -1.12 1.67 -0.35 -0.85 0.00 0.00 174.74 174.11 1i7s n PRO 173 N 5.07 0.54 0.00 8.40 -0.04 -1.26 -1.90 135.00 145.81 1i7s n PRO 173 Ca 0.04 0.03 0.11 0.00 -0.04 0.00 0.00 63.50 63.65 1i7s n PRO 173 Cb 0.45 -1.50 0.03 0.00 -0.04 0.00 0.00 33.50 32.44 1i7s n PRO 173 CO 0.00 0.00 0.00 -0.85 -0.04 0.00 0.00 175.50 174.61 1i7s n GLU 174 N -1.10 1.01 -2.61 0.54 0.00 -1.26 -3.78 120.64 113.44 1i7s n GLU 174 Ca 0.14 -0.81 -0.34 0.00 0.00 0.00 0.00 57.16 56.15 1i7s n GLU 174 Cb 0.11 -1.48 -0.04 0.00 0.00 0.00 0.00 31.44 30.02 1i7s n GLU 174 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.13 177.58 1i7s s SER 175 N -2.55 6.52 0.61 -1.84 0.15 -0.80 -4.77 113.70 111.02 1i7s s SER 175 Ca 0.18 1.84 0.35 0.00 0.70 0.00 0.00 55.95 59.02 1i7s s SER 175 Cb 0.18 -2.55 2.01 0.00 -1.71 0.00 0.00 66.02 63.95 1i7s s SER 175 CO 0.60 -0.66 2.28 -0.29 1.20 0.00 0.00 173.24 176.37 1i7s h ILE 176 N 1.61 0.32 0.00 6.45 2.10 -1.93 -1.06 117.51 124.99 1i7s h ILE 176 Ca -0.49 -0.06 -0.03 0.00 1.08 0.00 0.00 64.86 65.36 1i7s h ILE 176 Cb 1.21 1.05 -0.00 0.00 -1.09 0.00 0.00 36.82 37.98 1i7s h ILE 176 CO 0.60 0.01 -0.13 -0.07 -1.08 0.00 0.00 178.15 177.48 1i7s h LEU 177 N 0.00 0.00 -8.06 2.19 3.38 -1.92 -3.38 115.31 107.52 1i7s h LEU 177 Ca -0.00 0.00 -0.70 0.00 0.09 0.00 0.00 57.88 57.27 1i7s h LEU 177 Cb 0.05 0.00 -0.19 0.00 0.09 0.00 0.00 40.66 40.61 1i7s h LEU 177 CO 0.00 0.13 0.46 -0.89 0.09 0.00 0.00 178.44 178.23 1i7s s THR 178 N -3.54 4.81 0.20 0.22 2.01 -0.40 -4.29 115.64 114.66 1i7s s THR 178 Ca 0.02 -1.32 -0.13 0.00 0.31 0.00 0.00 61.69 60.57 1i7s s THR 178 Cb 0.09 -4.63 0.21 0.00 0.01 0.00 0.00 72.50 68.17 1i7s s THR 178 CO 0.62 -1.31 1.64 0.74 -0.69 0.00 0.00 174.62 175.61 1i7s h THR 179 N 5.74 0.43 -0.59 -0.82 2.02 -1.75 -2.03 112.91 115.90 1i7s h THR 179 Ca -0.07 -0.01 -0.30 0.00 0.77 0.00 0.00 66.41 66.80 1i7s h THR 179 Cb 1.05 0.40 -0.18 0.00 -1.74 0.00 0.00 68.15 67.69 1i7s h THR 179 CO 1.07 0.00 0.19 1.41 0.37 0.00 0.00 175.52 178.56 1i7s n HIS 180 N -5.38 1.83 -0.09 3.16 8.25 -1.26 -4.72 115.22 117.01 1i7s n HIS 180 Ca 0.07 -1.69 0.07 0.00 -0.26 0.00 0.00 57.72 55.91 1i7s n HIS 180 Cb 0.32 -0.66 0.41 0.00 1.12 0.00 0.00 29.99 31.18 1i7s n HIS 180 CO 0.00 0.00 0.00 0.78 0.64 0.00 0.00 176.34 177.76 1i7s h GLY 181 N 1.04 0.73 0.93 -1.41 0.00 -1.54 -1.64 103.07 101.18 1i7s h GLY 181 Ca 0.37 -0.24 -0.03 0.00 0.00 0.00 0.00 47.33 47.43 1i7s h GLY 181 CO 0.66 0.20 -0.34 0.00 0.00 0.00 0.00 176.54 177.05 1i7s h ALA 182 N 1.68 -0.95 -0.43 3.60 0.00 -1.83 -0.34 119.26 120.99 1i7s h ALA 182 Ca 0.24 -0.22 0.07 0.00 0.00 0.00 0.00 54.91 55.00 1i7s h ALA 182 Cb 0.20 0.37 -0.06 0.00 0.00 0.00 0.00 17.79 18.30 1i7s h ALA 182 CO -0.07 -0.99 0.11 -0.09 0.00 0.00 0.00 179.25 178.20 1i7s h ARG 183 N -1.03 0.24 -0.37 0.00 2.43 -1.90 -0.06 114.38 113.69 1i7s h ARG 183 Ca -0.10 -0.01 0.07 0.00 -0.81 0.00 0.00 59.98 59.13 1i7s h ARG 183 Cb 0.75 -0.05 -0.06 0.00 -0.42 0.00 0.00 29.97 30.18 1i7s h ARG 183 CO 0.16 0.16 -0.00 1.25 -1.51 0.00 0.00 179.97 180.02 1i7s h LEU 184 N 0.25 -0.16 -1.13 3.80 6.46 -1.10 -0.88 115.31 122.54 1i7s h LEU 184 Ca 0.21 0.09 -0.08 0.00 -0.12 0.00 0.00 57.88 57.98 1i7s h LEU 184 Cb 0.25 0.16 -0.01 0.00 -0.73 0.00 0.00 40.66 40.32 1i7s h LEU 184 CO -0.26 -0.04 -0.27 0.25 -0.62 0.00 0.00 178.44 177.50 1i7s h LEU 185 N 0.10 0.26 0.82 2.25 6.46 -0.55 -1.47 115.31 123.17 1i7s h LEU 185 Ca 0.18 -0.08 -0.04 0.00 -0.12 0.00 0.00 57.88 57.82 1i7s h LEU 185 Cb 0.26 -0.07 0.01 0.00 -0.73 0.00 0.00 40.66 40.12 1i7s h LEU 185 CO -0.31 0.54 -0.39 -0.08 -0.62 0.00 0.00 178.44 177.58 1i7s h GLU 186 N 0.24 -1.06 -0.74 1.25 4.57 -0.35 -1.63 114.58 116.87 1i7s h GLU 186 Ca 0.04 0.07 0.15 0.00 -1.18 0.00 0.00 59.36 58.44 1i7s h GLU 186 Cb 0.61 0.24 -0.05 0.00 -0.16 0.00 0.00 28.75 29.40 1i7s h GLU 186 CO 0.04 -0.70 0.50 1.96 -1.18 0.00 0.00 179.01 179.64 1i7s h GLN 187 N -1.24 0.37 -0.12 1.92 4.20 -1.17 -0.21 115.11 118.85 1i7s h GLN 187 Ca -0.11 -0.02 -0.06 0.00 0.06 0.00 0.00 58.65 58.51 1i7s h GLN 187 Cb 0.85 -0.08 -0.01 0.00 0.30 0.00 0.00 27.48 28.54 1i7s h GLN 187 CO 0.18 0.24 -0.22 1.15 -0.67 0.00 0.00 178.83 179.52 1i7s h THR 188 N 0.38 1.21 0.00 -0.54 2.02 -0.81 0.14 112.91 115.31 1i7s h THR 188 Ca 0.36 -0.98 0.00 0.00 0.77 0.00 0.00 66.41 66.56 1i7s h THR 188 Cb 0.88 1.37 0.00 0.00 -1.74 0.00 0.00 68.15 68.66 1i7s h THR 188 CO -0.11 0.30 0.00 0.18 0.37 0.00 0.00 175.52 176.26 1i7s n LEU 189 N -4.20 0.01 -0.28 2.58 4.77 -0.16 -1.62 117.00 118.10 1i7s n LEU 189 Ca -0.01 0.75 0.22 0.00 -0.03 0.00 0.00 56.01 56.94 1i7s n LEU 189 Cb 0.33 -0.50 0.40 0.00 -2.33 0.00 0.00 43.42 41.32 1i7s n LEU 189 CO 0.39 -0.50 0.82 0.00 -1.33 0.00 0.00 177.39 176.77 1i7s n ALA 190 N -1.99 0.70 0.43 -1.18 0.00 -0.79 0.24 120.51 117.92 1i7s n ALA 190 Ca 0.00 0.89 -0.19 0.00 0.00 0.00 0.00 53.44 54.14 1i7s n ALA 190 Cb 0.00 -0.79 -0.09 0.00 0.00 0.00 0.00 19.45 18.57 1i7s n ALA 190 CO 0.00 0.00 0.00 2.35 0.00 0.00 0.00 177.50 179.85 1i7s h TRP 191 N 0.00 -0.99 -0.23 0.00 7.01 -0.68 -2.04 115.95 119.02 1i7s h TRP 191 Ca 0.64 -0.02 0.07 0.00 2.11 0.00 0.00 58.89 61.69 1i7s h TRP 191 Cb 1.58 0.33 -0.01 0.00 -2.10 0.00 0.00 29.16 28.96 1i7s h TRP 191 CO -0.18 -0.61 0.25 0.00 -2.79 0.00 0.00 178.44 175.11 1i7s h ALA 192 N -0.87 1.87 -0.60 2.65 0.00 0.77 -0.92 119.26 122.15 1i7s h ALA 192 Ca -0.11 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.79 1i7s h ALA 192 Cb 0.82 0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.63 1i7s h ALA 192 CO 0.18 -0.36 0.00 1.28 0.00 0.00 0.00 179.25 180.35 1i7s n LEU 193 N -3.79 4.66 -0.01 0.00 4.77 0.32 -4.26 117.00 118.69 1i7s n LEU 193 Ca 0.03 -2.49 0.10 0.00 -0.03 0.00 0.00 56.01 53.62 1i7s n LEU 193 Cb 0.38 -0.56 -0.17 0.00 -2.33 0.00 0.00 43.42 40.74 1i7s n LEU 193 CO 0.27 0.79 -0.77 0.00 -1.33 0.00 0.00 177.39 176.36 1i7s n ALA 194 N 0.95 2.78 -0.26 -1.18 0.00 -0.35 -4.99 120.51 117.45 1i7s n ALA 194 Ca 0.25 -0.54 0.00 0.00 0.00 0.00 0.00 53.44 53.15 1i7s n ALA 194 Cb 0.88 -0.74 0.00 0.00 0.00 0.00 0.00 19.45 19.60 1i7s n ALA 194 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 177.50 178.67