#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1qil s THR 2 N 0.00 2.49 0.64 2.46 -4.23 -1.26 -4.37 115.64 111.38 1qil s THR 2 Ca 0.00 -1.94 -0.01 0.00 -1.18 0.00 0.00 61.69 58.57 1qil s THR 2 Cb 0.00 -2.85 0.08 0.00 1.34 0.00 0.00 72.50 71.07 1qil s THR 2 CO 0.00 -0.14 0.90 0.54 -0.54 0.00 0.00 174.62 175.38 1qil s ASN 3 N -3.74 4.82 0.47 3.99 2.20 -1.26 -4.93 114.94 116.48 1qil s ASN 3 Ca 0.36 -0.08 0.13 0.00 -0.94 0.00 0.00 52.86 52.32 1qil s ASN 3 Cb 0.02 -0.56 1.09 0.00 -2.00 0.00 0.00 41.25 39.80 1qil s ASN 3 CO 0.20 -1.51 2.08 0.44 -2.94 0.00 0.00 177.10 175.37 1qil h ASP 4 N -0.28 0.13 0.04 3.54 5.19 -2.01 -1.81 116.42 121.23 1qil h ASP 4 Ca -0.40 -0.01 -0.00 0.00 -0.62 0.00 0.00 57.03 56.00 1qil h ASP 4 Cb 1.29 -0.03 0.00 0.00 0.18 0.00 0.00 39.33 40.76 1qil h ASP 4 CO 0.48 0.15 -0.02 -1.13 -3.12 0.00 0.00 179.24 175.60 1qil h ASN 5 N 0.15 -0.05 -0.83 6.45 -1.24 -1.99 -1.14 115.58 116.94 1qil h ASN 5 Ca 0.04 -0.18 0.02 0.00 0.71 0.00 0.00 56.30 56.89 1qil h ASN 5 Cb 0.07 0.01 -0.04 0.00 0.73 0.00 0.00 38.32 39.09 1qil h ASN 5 CO -0.00 0.15 0.54 0.40 -1.29 0.00 0.00 177.43 177.23 1qil h ILE 6 N -0.25 1.18 -0.60 2.57 1.08 -1.84 -1.76 117.51 117.89 1qil h ILE 6 Ca -0.01 -0.38 -0.01 0.00 -0.39 0.00 0.00 64.86 64.08 1qil h ILE 6 Cb 0.23 -0.01 -0.03 0.00 -3.07 0.00 0.00 36.82 33.94 1qil h ILE 6 CO 0.01 0.20 0.34 0.11 -0.69 0.00 0.00 178.15 178.12 1qil h LYS 7 N 1.09 0.81 -0.48 2.37 1.57 -1.06 -1.90 116.57 118.97 1qil h LYS 7 Ca 0.31 -0.07 -0.13 0.00 -1.87 0.00 0.00 60.65 58.89 1qil h LYS 7 Cb -0.08 -0.17 -0.01 0.00 0.08 0.00 0.00 32.23 32.05 1qil h LYS 7 CO -0.08 0.58 -0.21 -0.44 -0.57 0.00 0.00 179.45 178.73 1qil h ASP 8 N 0.82 1.01 -0.55 0.86 3.32 -0.40 -2.78 116.42 118.71 1qil h ASP 8 Ca 0.21 -0.38 -0.06 0.00 0.02 0.00 0.00 57.03 56.82 1qil h ASP 8 Cb -0.01 -0.28 -0.03 0.00 0.22 0.00 0.00 39.33 39.24 1qil h ASP 8 CO -0.04 1.17 0.11 -0.07 -1.72 0.00 0.00 179.24 178.70 1qil h LEU 9 N 0.85 0.89 -1.05 1.55 3.38 -0.75 -1.76 115.31 118.43 1qil h LEU 9 Ca 0.11 -0.19 -0.08 0.00 0.09 0.00 0.00 57.88 57.82 1qil h LEU 9 Cb 0.78 -0.23 -0.02 0.00 0.09 0.00 0.00 40.66 41.28 1qil h LEU 9 CO 0.06 0.89 -0.14 0.25 0.09 0.00 0.00 178.44 179.59 1qil h LEU 10 N 0.90 0.50 -0.57 1.67 6.46 -1.27 -0.60 115.31 122.40 1qil h LEU 10 Ca 0.19 -0.14 -0.15 0.00 -0.12 0.00 0.00 57.88 57.66 1qil h LEU 10 Cb 0.37 -0.13 -0.02 0.00 -0.73 0.00 0.00 40.66 40.14 1qil h LEU 10 CO 0.01 0.67 -0.71 0.44 -0.62 0.00 0.00 178.44 178.22 1qil h ASP 11 N 0.47 0.05 0.03 1.25 5.19 -1.18 -2.90 116.42 119.34 1qil h ASP 11 Ca 0.09 -0.04 -0.05 0.00 -0.62 0.00 0.00 57.03 56.40 1qil h ASP 11 Cb 0.52 -0.02 0.01 0.00 0.18 0.00 0.00 39.33 40.02 1qil h ASP 11 CO 0.03 0.75 -0.23 -0.25 -3.12 0.00 0.00 179.24 176.42 1qil h TRP 12 N 0.03 0.17 -0.02 4.55 2.91 -0.92 -3.30 115.95 119.36 1qil h TRP 12 Ca -0.01 -0.11 0.00 0.00 1.13 0.00 0.00 58.89 59.89 1qil h TRP 12 Cb 1.26 -0.01 0.00 0.00 -0.51 0.00 0.00 29.16 29.90 1qil h TRP 12 CO 0.01 1.05 0.00 0.66 -1.03 0.00 0.00 178.44 179.13 1qil n TYR 13 N -4.49 0.02 -0.08 2.65 4.01 -0.27 -3.16 117.16 115.84 1qil n TYR 13 Ca -0.11 -0.01 0.00 0.00 -0.16 0.00 0.00 57.90 57.62 1qil n TYR 13 Cb 0.56 0.00 0.00 0.00 -0.31 0.00 0.00 39.34 39.59 1qil n TYR 13 CO 0.00 0.00 0.00 -1.13 -0.46 0.00 0.00 176.86 175.27 1qil n SER 14 N -0.59 1.21 -1.17 7.72 3.41 -1.09 -4.35 113.62 118.75 1qil n SER 14 Ca 0.08 -1.29 0.05 0.00 -0.26 0.00 0.00 58.87 57.45 1qil n SER 14 Cb 0.06 0.00 0.23 0.00 -0.26 0.00 0.00 64.21 64.23 1qil n SER 14 CO 0.00 0.00 0.00 -1.54 -0.16 0.00 0.00 175.04 173.34 1qil n SER 15 N -0.15 3.38 -0.40 4.04 3.41 -1.19 -5.05 113.62 117.66 1qil n SER 15 Ca 0.00 -2.39 0.00 0.00 -0.26 0.00 0.00 58.87 56.22 1qil n SER 15 Cb 0.10 -0.52 0.00 0.00 -0.26 0.00 0.00 64.21 63.53 1qil n SER 15 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1qil n GLY 16 N 0.60 -1.24 3.74 5.00 0.00 -1.26 -5.01 105.19 107.02 1qil n GLY 16 Ca 0.16 -1.18 -0.09 0.00 0.00 0.00 0.00 46.02 44.91 1qil n GLY 16 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1qil s SER 17 N -4.00 -0.02 -0.17 1.61 1.04 -1.26 -4.89 113.70 106.02 1qil s SER 17 Ca 0.00 -0.93 -0.04 0.00 0.48 0.00 0.00 55.95 55.45 1qil s SER 17 Cb 0.00 0.72 -0.03 0.00 0.10 0.00 0.00 66.02 66.81 1qil s SER 17 CO 0.00 -1.38 -0.02 -1.81 0.98 0.00 0.00 173.24 171.01 1qil s ASP 18 N -3.02 4.93 -0.16 7.02 1.01 0.04 -5.00 116.67 121.48 1qil s ASP 18 Ca 0.17 -0.11 -0.00 0.00 0.71 0.00 0.00 52.55 53.32 1qil s ASP 18 Cb -0.04 -1.82 0.04 0.00 1.01 0.00 0.00 42.92 42.11 1qil s ASP 18 CO 0.10 0.15 -0.07 -0.89 0.21 0.00 0.00 175.17 174.68 1qil s THR 19 N 0.47 1.17 -0.03 -1.27 2.01 -1.26 -1.29 115.64 115.45 1qil s THR 19 Ca -0.02 -0.61 0.02 0.00 0.31 0.00 0.00 61.69 61.39 1qil s THR 19 Cb -0.14 -1.30 0.00 0.00 0.01 0.00 0.00 72.50 71.08 1qil s THR 19 CO 0.02 0.19 -0.09 -0.36 -0.69 0.00 0.00 174.62 173.69 1qil s PHE 20 N 1.61 0.97 0.04 4.92 0.08 -0.78 -5.01 117.98 119.82 1qil s PHE 20 Ca 0.01 -0.25 0.07 0.00 0.12 0.00 0.00 56.93 56.88 1qil s PHE 20 Cb -0.15 -0.70 -0.03 0.00 -0.57 0.00 0.00 43.02 41.57 1qil s PHE 20 CO -0.08 -0.11 -0.17 0.95 -0.10 0.00 0.00 175.22 175.71 1qil s THR 21 N 0.24 2.88 -1.25 0.64 -4.23 -1.26 -0.28 115.64 112.38 1qil s THR 21 Ca -0.04 -1.17 -0.08 0.00 -1.18 0.00 0.00 61.69 59.22 1qil s THR 21 Cb -0.09 -2.22 0.01 0.00 1.34 0.00 0.00 72.50 71.53 1qil s THR 21 CO 0.01 0.32 1.05 -3.20 -0.54 0.00 0.00 174.62 172.26 1qil n ASN 22 N 1.49 -5.99 -4.47 3.99 5.15 -0.98 -4.71 115.26 109.74 1qil n ASN 22 Ca -0.16 -0.48 -0.29 0.00 -0.60 0.00 0.00 54.58 53.05 1qil n ASN 22 Cb 0.52 -4.63 0.17 0.00 -0.53 0.00 0.00 39.78 35.31 1qil n ASN 22 CO 0.00 0.00 0.00 -0.44 1.40 0.00 0.00 177.26 178.22 1qil s SER 23 N -3.25 2.92 -0.02 1.20 0.01 0.52 -4.68 113.70 110.39 1qil s SER 23 Ca 0.52 0.77 0.05 0.00 1.31 0.00 0.00 55.95 58.60 1qil s SER 23 Cb -0.23 -1.17 -0.01 0.00 0.21 0.00 0.00 66.02 64.82 1qil s SER 23 CO 0.64 -2.90 -0.18 -0.70 0.41 0.00 0.00 173.24 170.51 1qil s GLU 24 N -5.42 1.59 -0.18 12.44 2.12 0.38 -1.47 118.70 128.16 1qil s GLU 24 Ca 0.67 -0.64 -0.29 0.00 0.36 0.00 0.00 54.97 55.07 1qil s GLU 24 Cb -0.12 -1.48 -0.01 0.00 0.26 0.00 0.00 34.13 32.79 1qil s GLU 24 CO 0.54 0.35 1.19 0.08 -0.54 0.00 0.00 175.26 176.87 1qil s VAL 25 N -0.28 4.41 -0.17 3.70 1.01 0.44 -0.35 120.40 129.16 1qil s VAL 25 Ca 0.04 1.71 -0.04 0.00 0.00 0.00 0.00 61.98 63.68 1qil s VAL 25 Cb -0.08 -4.10 -0.23 0.00 0.00 0.00 0.00 36.38 31.96 1qil s VAL 25 CO 0.00 -0.14 0.15 0.18 0.00 0.00 0.00 175.10 175.29 1qil n LEU 26 N 6.42 2.73 -3.49 3.92 4.32 -0.13 -1.13 117.00 129.64 1qil n LEU 26 Ca 0.13 0.10 -0.16 0.00 -0.02 0.00 0.00 56.01 56.06 1qil n LEU 26 Cb 0.45 -1.04 -0.05 0.00 -1.62 0.00 0.00 43.42 41.16 1qil n LEU 26 CO 0.55 0.87 0.44 -0.62 -1.22 0.00 0.00 177.39 177.40 1qil s ASP 27 N -6.87 -0.63 -0.18 -1.43 2.15 -0.91 -4.80 116.67 104.00 1qil s ASP 27 Ca -0.27 0.50 -0.04 0.00 0.43 0.00 0.00 52.55 53.16 1qil s ASP 27 Cb 0.07 0.55 0.06 0.00 -0.30 0.00 0.00 42.92 43.31 1qil s ASP 27 CO 0.70 -0.71 0.07 0.21 -0.17 0.00 0.00 175.17 175.28 1qil s ASN 28 N -1.66 2.59 0.45 -0.34 3.84 -1.26 -1.57 114.94 116.99 1qil s ASN 28 Ca -0.07 -0.71 0.06 0.00 0.21 0.00 0.00 52.86 52.34 1qil s ASN 28 Cb -0.00 -0.37 -0.04 0.00 -0.55 0.00 0.00 41.25 40.29 1qil s ASN 28 CO 0.03 -0.34 0.15 -0.44 -2.79 0.00 0.00 177.10 173.71 1qil s SER 29 N 2.04 4.30 0.02 -4.21 0.01 -0.85 -5.03 113.70 109.98 1qil s SER 29 Ca 0.01 -1.26 -0.30 0.00 1.31 0.00 0.00 55.95 55.71 1qil s SER 29 Cb -0.16 -0.16 -0.07 0.00 0.21 0.00 0.00 66.02 65.83 1qil s SER 29 CO -0.10 -0.66 1.63 -0.22 0.41 0.00 0.00 173.24 174.30 1qil s LEU 30 N -3.92 4.35 0.00 2.44 2.96 -1.26 -1.96 118.68 121.29 1qil s LEU 30 Ca 0.33 2.37 0.00 0.00 -0.22 0.00 0.00 54.13 56.60 1qil s LEU 30 Cb 0.04 -3.55 0.00 0.00 0.50 0.00 0.00 46.19 43.17 1qil s LEU 30 CO 0.18 -0.88 0.00 0.61 -1.32 0.00 0.00 176.35 174.94 1qil n GLY 31 N 4.00 1.58 3.51 7.98 0.00 -1.26 -5.00 105.19 116.00 1qil n GLY 31 Ca 0.16 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 46.09 1qil n GLY 31 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1qil s SER 32 N -3.27 -0.13 -0.08 1.61 1.04 -0.83 0.75 113.70 112.79 1qil s SER 32 Ca 0.00 -0.73 -0.05 0.00 0.48 0.00 0.00 55.95 55.65 1qil s SER 32 Cb 0.00 0.55 0.03 0.00 0.10 0.00 0.00 66.02 66.70 1qil s SER 32 CO 0.00 -1.05 0.19 -0.04 0.98 0.00 0.00 173.24 173.32 1qil s MET 33 N -3.95 0.18 -0.21 4.02 -1.94 -0.03 -2.01 119.30 115.37 1qil s MET 33 Ca 0.16 0.37 -0.06 0.00 -1.71 0.00 0.00 55.69 54.45 1qil s MET 33 Cb 0.00 -0.04 -0.03 0.00 2.01 0.00 0.00 34.83 36.78 1qil s MET 33 CO 0.02 -0.10 0.02 0.50 -0.01 0.00 0.00 175.02 175.44 1qil s ARG 34 N 0.72 3.65 -0.02 2.03 3.52 -0.61 -1.57 118.95 126.68 1qil s ARG 34 Ca -0.05 -0.50 0.04 0.00 -0.13 0.00 0.00 55.73 55.09 1qil s ARG 34 Cb -0.07 -3.13 -0.01 0.00 -1.56 0.00 0.00 34.95 30.19 1qil s ARG 34 CO -0.04 0.00 -0.13 0.42 -0.81 0.00 0.00 175.30 174.74 1qil s ILE 35 N 1.04 1.05 -0.27 4.11 1.01 -0.04 -0.96 121.20 127.14 1qil s ILE 35 Ca 0.02 -0.55 -0.13 0.00 0.00 0.00 0.00 60.65 59.99 1qil s ILE 35 Cb -0.14 -0.89 -0.04 0.00 0.01 0.00 0.00 42.46 41.39 1qil s ILE 35 CO 0.02 0.30 0.27 -0.75 0.00 0.00 0.00 174.94 174.78 1qil s LYS 36 N -0.19 4.00 0.37 2.79 2.47 0.53 -0.33 119.74 129.37 1qil s LYS 36 Ca 0.03 -0.14 -0.06 0.00 -1.56 0.00 0.00 55.97 54.24 1qil s LYS 36 Cb -0.06 -3.64 -0.05 0.00 -1.46 0.00 0.00 37.83 32.62 1qil s LYS 36 CO -0.00 -0.18 0.65 -0.80 0.16 0.00 0.00 175.35 175.18 1qil s ASN 37 N 1.59 6.41 0.61 1.43 0.02 0.30 -0.47 114.94 124.83 1qil s ASN 37 Ca 0.11 0.83 0.33 0.00 -1.02 0.00 0.00 52.86 53.10 1qil s ASN 37 Cb -0.16 -2.19 1.93 0.00 0.02 0.00 0.00 41.25 40.85 1qil s ASN 37 CO 0.10 -0.34 2.24 0.71 0.02 0.00 0.00 177.10 179.83 1qil h THR 38 N 0.97 0.37 -0.01 1.60 1.35 -1.84 0.17 112.91 115.53 1qil h THR 38 Ca -0.48 0.00 0.00 0.00 -0.55 0.00 0.00 66.41 65.38 1qil h THR 38 Cb 1.20 0.95 0.00 0.00 -1.73 0.00 0.00 68.15 68.57 1qil h THR 38 CO 0.64 0.00 -0.03 -0.90 -0.25 0.00 0.00 175.52 174.98 1qil n ASP 39 N -3.63 0.66 0.00 5.36 5.68 -1.26 -4.90 116.55 118.46 1qil n ASP 39 Ca -0.02 -1.06 0.00 0.00 -0.50 0.00 0.00 54.79 53.21 1qil n ASP 39 Cb 0.14 -0.02 0.00 0.00 -1.14 0.00 0.00 41.12 40.10 1qil n ASP 39 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1qil n GLY 40 N 1.14 0.42 3.80 6.12 0.00 0.05 -5.08 105.19 111.64 1qil n GLY 40 Ca 0.20 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.91 1qil n GLY 40 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1qil s SER 41 N -1.93 4.81 -0.06 1.61 1.04 -1.25 -4.74 113.70 113.18 1qil s SER 41 Ca 0.00 1.47 0.03 0.00 0.48 0.00 0.00 55.95 57.93 1qil s SER 41 Cb 0.00 -2.26 -0.02 0.00 0.10 0.00 0.00 66.02 63.84 1qil s SER 41 CO 0.00 -1.79 -0.16 -0.63 0.98 0.00 0.00 173.24 171.64 1qil s ILE 42 N -3.09 2.91 -0.17 -1.02 -1.09 0.31 -0.54 121.20 118.52 1qil s ILE 42 Ca 0.60 -0.76 -0.00 0.00 -2.23 0.00 0.00 60.65 58.25 1qil s ILE 42 Cb -0.15 -2.14 -0.00 0.00 -1.58 0.00 0.00 42.46 38.59 1qil s ILE 42 CO 0.55 0.58 -0.14 -0.44 -1.23 0.00 0.00 174.94 174.25 1qil s SER 43 N -0.45 3.70 -0.47 3.58 0.01 0.55 -0.26 113.70 120.36 1qil s SER 43 Ca 0.05 -0.47 -0.09 0.00 1.31 0.00 0.00 55.95 56.75 1qil s SER 43 Cb -0.12 -1.58 0.12 0.00 0.21 0.00 0.00 66.02 64.65 1qil s SER 43 CO 0.02 0.06 0.35 -0.76 0.41 0.00 0.00 173.24 173.32 1qil s LEU 44 N 0.95 5.68 -0.12 2.44 1.43 -0.03 -0.87 118.68 128.16 1qil s LEU 44 Ca -0.03 -1.88 -0.03 0.00 -1.03 0.00 0.00 54.13 51.16 1qil s LEU 44 Cb -0.15 -2.02 -0.03 0.00 0.03 0.00 0.00 46.19 44.02 1qil s LEU 44 CO -0.02 -0.69 0.01 -0.63 0.23 0.00 0.00 176.35 175.25 1qil s ILE 45 N 1.38 4.38 0.03 -0.59 1.01 -0.61 -2.05 121.20 124.75 1qil s ILE 45 Ca 0.05 -0.21 -0.00 0.00 0.00 0.00 0.00 60.65 60.50 1qil s ILE 45 Cb -0.26 -2.88 -0.04 0.00 0.01 0.00 0.00 42.46 39.28 1qil s ILE 45 CO -0.00 0.56 0.15 0.27 0.00 0.00 0.00 174.94 175.92 1qil s ILE 46 N -0.43 5.12 -0.37 2.92 -4.36 -0.99 -0.85 121.20 122.25 1qil s ILE 46 Ca 0.08 -0.40 0.00 0.00 -0.26 0.00 0.00 60.65 60.08 1qil s ILE 46 Cb -0.12 -3.43 0.13 0.00 1.25 0.00 0.00 42.46 40.28 1qil s ILE 46 CO 0.02 0.23 0.19 -0.36 0.24 0.00 0.00 174.94 175.26 1qil s PHE 47 N -1.37 1.40 -1.71 1.37 0.08 0.23 -1.78 117.98 116.19 1qil s PHE 47 Ca 0.29 -1.89 0.26 0.00 0.12 0.00 0.00 56.93 55.72 1qil s PHE 47 Cb -0.13 -1.48 1.46 0.00 -0.57 0.00 0.00 43.02 42.31 1qil s PHE 47 CO 0.22 -0.82 1.92 -0.35 -0.10 0.00 0.00 175.22 176.08 1qil n PRO 48 N 4.15 0.61 -4.20 0.24 -0.04 -1.26 -4.22 135.00 130.27 1qil n PRO 48 Ca 0.06 0.02 -0.34 0.00 -0.04 0.00 0.00 63.50 63.20 1qil n PRO 48 Cb 0.38 -1.50 -0.10 0.00 -0.04 0.00 0.00 33.50 32.23 1qil n PRO 48 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 1qil s SER 49 N -2.29 5.30 0.09 3.54 0.15 -1.25 -4.62 113.70 114.62 1qil s SER 49 Ca 0.32 0.04 0.22 0.00 0.70 0.00 0.00 55.95 57.23 1qil s SER 49 Cb 0.18 -1.81 0.87 0.00 -1.71 0.00 0.00 66.02 63.55 1qil s SER 49 CO 0.35 0.22 1.67 -0.81 1.20 0.00 0.00 173.24 175.88 1qil n PRO 50 N 3.21 0.08 0.03 5.44 -0.04 -1.26 -2.92 135.00 139.55 1qil n PRO 50 Ca -0.17 0.23 0.12 0.00 -0.04 0.00 0.00 63.50 63.63 1qil n PRO 50 Cb 0.53 -1.63 0.10 0.00 -0.04 0.00 0.00 33.50 32.46 1qil n PRO 50 CO 0.00 0.00 0.00 0.66 -0.04 0.00 0.00 175.50 176.12 1qil n TYR 51 N -1.78 0.33 -3.45 0.54 4.01 -1.26 -4.55 117.16 110.99 1qil n TYR 51 Ca 0.04 0.09 -0.27 0.00 -0.16 0.00 0.00 57.90 57.60 1qil n TYR 51 Cb 0.26 -0.48 -0.11 0.00 -0.31 0.00 0.00 39.34 38.70 1qil n TYR 51 CO 0.00 0.00 0.00 -0.47 -0.46 0.00 0.00 176.86 175.93 1qil s TYR 52 N -3.16 1.25 -0.38 -0.72 5.04 -1.15 -3.65 117.35 114.58 1qil s TYR 52 Ca 0.06 -2.31 -0.02 0.00 -2.44 0.00 0.00 57.07 52.36 1qil s TYR 52 Cb 0.14 -1.08 0.10 0.00 0.35 0.00 0.00 41.96 41.47 1qil s TYR 52 CO 0.76 -0.81 0.15 0.45 -1.34 0.00 0.00 175.55 174.77 1qil s SER 53 N 0.10 5.15 0.20 4.32 0.15 -1.25 -4.49 113.70 117.87 1qil s SER 53 Ca 0.30 -1.91 -0.32 0.00 0.70 0.00 0.00 55.95 54.72 1qil s SER 53 Cb -0.02 -1.79 -0.14 0.00 -1.71 0.00 0.00 66.02 62.36 1qil s SER 53 CO -0.16 -0.48 1.41 -2.65 1.20 0.00 0.00 173.24 172.57 1qil n PRO 54 N 4.56 1.88 -0.34 5.44 -0.02 -1.26 -4.88 135.00 140.39 1qil n PRO 54 Ca -0.03 0.67 0.07 0.00 -2.02 0.00 0.00 63.50 62.19 1qil n PRO 54 Cb 0.42 -2.33 0.22 0.00 -0.02 0.00 0.00 33.50 31.79 1qil n PRO 54 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1qil n ALA 55 N 2.25 2.59 -1.77 3.55 0.00 -1.26 -4.99 120.51 120.88 1qil n ALA 55 Ca 0.14 -1.59 -0.39 0.00 0.00 0.00 0.00 53.44 51.59 1qil n ALA 55 Cb 0.29 -0.63 -0.00 0.00 0.00 0.00 0.00 19.45 19.11 1qil n ALA 55 CO 0.00 0.00 0.00 -0.06 0.00 0.00 0.00 177.50 177.44 1qil s PHE 56 N -1.71 2.79 0.28 0.00 0.08 -1.26 -5.03 117.98 113.13 1qil s PHE 56 Ca 0.34 1.40 0.06 0.00 0.12 0.00 0.00 56.93 58.86 1qil s PHE 56 Cb 0.23 -3.69 -0.03 0.00 -0.57 0.00 0.00 43.02 38.96 1qil s PHE 56 CO 0.15 -2.15 0.33 0.95 -0.10 0.00 0.00 175.22 174.41 1qil s THR 57 N -1.26 4.51 0.19 0.64 -4.23 -1.26 -4.75 115.64 109.48 1qil s THR 57 Ca 0.57 -1.16 -0.33 0.00 -1.18 0.00 0.00 61.69 59.60 1qil s THR 57 Cb -0.38 -3.53 -0.15 0.00 1.34 0.00 0.00 72.50 69.77 1qil s THR 57 CO 0.49 -0.27 1.28 1.17 -0.54 0.00 0.00 174.62 176.76 1qil n LYS 58 N -1.40 1.53 0.00 3.99 0.00 -1.26 -1.95 118.16 119.07 1qil n LYS 58 Ca -0.06 0.55 0.00 0.00 0.00 0.00 0.00 58.31 58.80 1qil n LYS 58 Cb 0.58 -2.12 0.00 0.00 0.00 0.00 0.00 35.03 33.49 1qil n LYS 58 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.40 177.81 1qil n GLY 59 N 2.17 2.61 3.77 3.14 0.00 -0.28 -4.97 105.19 111.62 1qil n GLY 59 Ca 0.14 -0.15 -0.33 0.00 0.00 0.00 0.00 46.02 45.69 1qil n GLY 59 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1qil s GLU 60 N 0.00 2.76 -0.08 1.61 2.02 -0.82 -4.67 118.70 119.52 1qil s GLU 60 Ca 0.00 1.38 -0.03 0.00 0.02 0.00 0.00 54.97 56.34 1qil s GLU 60 Cb 0.00 -1.95 -0.04 0.00 0.10 0.00 0.00 34.13 32.25 1qil s GLU 60 CO 0.00 -1.28 0.06 0.15 0.02 0.00 0.00 175.26 174.21 1qil s LYS 61 N -4.14 3.14 0.19 1.61 -0.14 -1.26 -0.42 119.74 118.72 1qil s LYS 61 Ca 0.67 -0.33 -0.00 0.00 -1.36 0.00 0.00 55.97 54.95 1qil s LYS 61 Cb -0.20 -2.93 -0.04 0.00 -1.68 0.00 0.00 37.83 32.97 1qil s LYS 61 CO 0.42 0.72 0.08 0.14 -0.76 0.00 0.00 175.35 175.95 1qil s VAL 62 N -0.98 0.26 -0.06 3.17 -7.23 -0.54 -4.42 120.40 110.60 1qil s VAL 62 Ca 0.15 -1.97 0.03 0.00 -1.81 0.00 0.00 61.98 58.38 1qil s VAL 62 Cb -0.12 -2.33 -0.03 0.00 0.56 0.00 0.00 36.38 34.47 1qil s VAL 62 CO 0.05 -0.22 -0.13 -1.81 -0.31 0.00 0.00 175.10 172.68 1qil s ASP 63 N -3.16 4.16 -0.11 4.85 1.01 -0.22 -0.35 116.67 122.85 1qil s ASP 63 Ca 0.32 -0.16 -0.01 0.00 0.71 0.00 0.00 52.55 53.41 1qil s ASP 63 Cb 0.07 -0.96 -0.02 0.00 1.01 0.00 0.00 42.92 43.02 1qil s ASP 63 CO 0.08 0.34 -0.09 -0.76 0.21 0.00 0.00 175.17 174.95 1qil s LEU 64 N -0.68 2.99 -0.42 1.23 1.02 0.62 -1.91 118.68 121.52 1qil s LEU 64 Ca 0.10 -0.18 0.05 0.00 0.02 0.00 0.00 54.13 54.13 1qil s LEU 64 Cb -0.11 -1.68 0.19 0.00 0.02 0.00 0.00 46.19 44.62 1qil s LEU 64 CO 0.01 0.24 0.44 0.59 0.02 0.00 0.00 176.35 177.65 1qil n ASN 65 N 3.06 -0.81 -3.27 2.29 3.02 -0.10 -1.86 115.26 117.59 1qil n ASN 65 Ca -0.18 -2.53 -0.18 0.00 -0.03 0.00 0.00 54.58 51.66 1qil n ASN 65 Cb 0.53 -0.21 -0.04 0.00 -0.61 0.00 0.00 39.78 39.44 1qil n ASN 65 CO 0.00 0.00 0.00 1.07 -2.62 0.00 0.00 177.26 175.71 1qil n THR 66 N 2.53 0.00 -4.98 3.41 5.66 -0.41 -4.47 114.28 116.03 1qil n THR 66 Ca 0.26 -1.51 -0.28 0.00 -3.05 0.00 0.00 64.05 59.47 1qil n THR 66 Cb 0.50 0.45 -0.15 0.00 -1.55 0.00 0.00 70.33 69.58 1qil n THR 66 CO 0.00 0.00 0.00 -0.54 -3.05 0.00 0.00 175.07 171.48 1qil s LYS 67 N -3.06 1.72 0.11 1.09 -0.14 -1.26 -0.78 119.74 117.42 1qil s LYS 67 Ca 0.08 -0.87 -0.26 0.00 -1.36 0.00 0.00 55.97 53.56 1qil s LYS 67 Cb 0.00 -1.72 -0.07 0.00 -1.68 0.00 0.00 37.83 34.36 1qil s LYS 67 CO 0.06 0.46 0.81 -0.98 -0.76 0.00 0.00 175.35 174.94 1qil s ARG 68 N -0.75 4.58 0.22 1.68 3.03 -1.26 -1.89 118.95 124.55 1qil s ARG 68 Ca 0.09 1.19 0.20 0.00 2.03 0.00 0.00 55.73 59.23 1qil s ARG 68 Cb -0.09 -3.33 0.03 0.00 -1.03 0.00 0.00 34.95 30.53 1qil s ARG 68 CO 0.00 0.38 1.14 1.79 -1.13 0.00 0.00 175.30 177.48 1qil h THR 69 N 3.79 0.26 -2.89 4.99 1.35 -0.98 -3.48 112.91 115.96 1qil h THR 69 Ca -0.45 -1.45 0.08 0.00 -0.55 0.00 0.00 66.41 64.04 1qil h THR 69 Cb 1.21 1.87 -0.05 0.00 -1.73 0.00 0.00 68.15 69.44 1qil h THR 69 CO 0.69 0.15 0.28 -1.59 -0.25 0.00 0.00 175.52 174.80 1qil s LYS 70 N -3.16 1.71 0.25 4.72 -2.85 -1.25 -5.09 119.74 114.08 1qil s LYS 70 Ca 0.01 -0.96 -0.31 0.00 -1.00 0.00 0.00 55.97 53.71 1qil s LYS 70 Cb 0.08 0.58 -0.11 0.00 -2.06 0.00 0.00 37.83 36.32 1qil s LYS 70 CO 0.77 -0.79 1.56 0.21 0.10 0.00 0.00 175.35 177.20 1qil s LYS 71 N -3.71 4.18 0.77 1.78 2.20 -1.26 -4.42 119.74 119.27 1qil s LYS 71 Ca 0.12 2.46 -0.13 0.00 -0.36 0.00 0.00 55.97 58.05 1qil s LYS 71 Cb -0.05 -3.08 0.06 0.00 -1.51 0.00 0.00 37.83 33.25 1qil s LYS 71 CO 0.06 -0.58 1.18 -1.12 -0.36 0.00 0.00 175.35 174.53 1qil s SER 72 N 0.65 4.01 0.07 1.43 0.01 -1.26 -4.85 113.70 113.76 1qil s SER 72 Ca 0.65 2.24 0.06 0.00 1.31 0.00 0.00 55.95 60.21 1qil s SER 72 Cb -0.45 -2.58 -0.03 0.00 0.21 0.00 0.00 66.02 63.17 1qil s SER 72 CO 0.41 -2.38 -0.17 -1.10 0.41 0.00 0.00 173.24 170.41 1qil s GLN 73 N -4.18 1.03 -0.21 12.44 -0.21 -0.74 -4.94 119.66 122.85 1qil s GLN 73 Ca 0.71 -0.99 -0.09 0.00 0.02 0.00 0.00 55.36 55.01 1qil s GLN 73 Cb -0.26 -1.14 -0.04 0.00 1.00 0.00 0.00 33.01 32.57 1qil s GLN 73 CO 0.49 0.27 0.10 -1.01 -2.12 0.00 0.00 175.29 173.02 1qil s HIS 74 N -1.09 3.27 0.74 0.91 3.76 -1.26 -0.33 115.29 121.30 1qil s HIS 74 Ca 0.03 0.10 -0.07 0.00 -0.15 0.00 0.00 55.06 54.96 1qil s HIS 74 Cb -0.09 -2.16 0.09 0.00 1.11 0.00 0.00 32.58 31.52 1qil s HIS 74 CO 0.03 0.09 1.06 0.95 -0.85 0.00 0.00 174.74 176.01 1qil s THR 75 N 0.71 2.21 0.40 1.30 -4.23 -0.11 -4.93 115.64 110.99 1qil s THR 75 Ca 0.05 -0.27 0.10 0.00 -1.18 0.00 0.00 61.69 60.40 1qil s THR 75 Cb -0.13 -2.95 0.17 0.00 1.34 0.00 0.00 72.50 70.93 1qil s THR 75 CO 0.02 0.00 1.93 0.28 -0.54 0.00 0.00 174.62 176.31 1qil h SER 76 N -0.74 0.22 0.37 3.99 0.02 -1.99 -1.38 113.55 114.04 1qil h SER 76 Ca -0.43 -0.04 0.00 0.00 -0.84 0.00 0.00 61.79 60.47 1qil h SER 76 Cb 1.30 -0.06 0.00 0.00 0.14 0.00 0.00 62.40 63.78 1qil h SER 76 CO 0.55 0.36 0.00 -0.62 -1.14 0.00 0.00 176.83 175.98 1qil n GLU 77 N -4.29 0.25 -0.63 3.45 4.71 -1.26 -4.87 120.64 117.99 1qil n GLU 77 Ca -0.01 0.11 0.00 0.00 -0.01 0.00 0.00 57.16 57.26 1qil n GLU 77 Cb 0.25 -1.50 0.00 0.00 -1.01 0.00 0.00 31.44 29.18 1qil n GLU 77 CO 0.00 0.00 0.00 0.41 0.09 0.00 0.00 177.13 177.63 1qil n GLY 78 N 0.31 0.63 3.90 0.62 0.00 -0.52 -5.07 105.19 105.06 1qil n GLY 78 Ca 0.09 -0.51 -0.32 0.00 0.00 0.00 0.00 46.02 45.28 1qil n GLY 78 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1qil s THR 79 N -2.00 5.22 -0.25 2.61 -4.23 -1.26 -4.83 115.64 110.90 1qil s THR 79 Ca 0.00 -0.03 -0.08 0.00 -1.18 0.00 0.00 61.69 60.40 1qil s THR 79 Cb 0.00 -3.62 -0.04 0.00 1.34 0.00 0.00 72.50 70.18 1qil s THR 79 CO 0.00 0.10 0.10 -0.47 -0.54 0.00 0.00 174.62 173.81 1qil s TYR 80 N -1.59 3.15 -0.17 3.99 5.04 -1.26 -0.94 117.35 125.57 1qil s TYR 80 Ca 0.38 -0.19 -0.02 0.00 -2.44 0.00 0.00 57.07 54.79 1qil s TYR 80 Cb -0.12 -2.26 -0.01 0.00 0.35 0.00 0.00 41.96 39.92 1qil s TYR 80 CO 0.24 -0.23 -0.07 0.42 -1.34 0.00 0.00 175.55 174.57 1qil s ILE 81 N 1.47 3.36 -0.08 3.14 1.01 0.56 -0.53 121.20 130.12 1qil s ILE 81 Ca 0.06 -0.53 -0.06 0.00 0.00 0.00 0.00 60.65 60.12 1qil s ILE 81 Cb -0.15 -2.48 -0.04 0.00 0.01 0.00 0.00 42.46 39.80 1qil s ILE 81 CO 0.05 0.47 0.17 -1.00 0.00 0.00 0.00 174.94 174.63 1qil s HIS 82 N 0.85 3.59 -0.30 3.97 3.76 0.64 -1.79 115.29 126.02 1qil s HIS 82 Ca -0.02 0.51 0.01 0.00 -0.15 0.00 0.00 55.06 55.41 1qil s HIS 82 Cb -0.15 -1.93 0.06 0.00 1.11 0.00 0.00 32.58 31.67 1qil s HIS 82 CO 0.01 0.71 -0.02 -0.06 -0.85 0.00 0.00 174.74 174.52 1qil s PHE 83 N -1.11 3.34 0.39 1.40 0.08 -1.26 -0.85 117.98 119.97 1qil s PHE 83 Ca 0.19 -2.21 0.04 0.00 0.12 0.00 0.00 56.93 55.07 1qil s PHE 83 Cb -0.12 -2.20 -0.05 0.00 -0.57 0.00 0.00 43.02 40.07 1qil s PHE 83 CO 0.08 -0.86 0.05 -0.65 -0.10 0.00 0.00 175.22 173.74 1qil s GLN 84 N 1.15 1.87 -0.07 0.44 -0.21 -0.87 -0.33 119.66 121.63 1qil s GLN 84 Ca -0.04 -2.09 -0.01 0.00 0.02 0.00 0.00 55.36 53.24 1qil s GLN 84 Cb -0.20 -1.12 0.03 0.00 1.00 0.00 0.00 33.01 32.71 1qil s GLN 84 CO -0.04 -0.23 -0.01 -1.50 -2.12 0.00 0.00 175.29 171.39 1qil s ILE 85 N -3.07 0.43 0.00 1.08 2.07 -0.79 -2.33 121.20 118.59 1qil s ILE 85 Ca 0.29 0.07 0.00 0.00 -1.41 0.00 0.00 60.65 59.60 1qil s ILE 85 Cb 0.07 -0.57 0.00 0.00 0.13 0.00 0.00 42.46 42.09 1qil s ILE 85 CO 0.14 0.26 0.00 -0.24 -1.91 0.00 0.00 174.94 173.19 1qil n SER 86 N 5.02 -3.15 -1.31 4.50 2.88 -0.74 -4.18 113.62 116.65 1qil n SER 86 Ca -0.09 0.00 -0.08 0.00 -1.33 0.00 0.00 58.87 57.36 1qil n SER 86 Cb 0.50 0.00 0.02 0.00 -0.75 0.00 0.00 64.21 63.98 1qil n SER 86 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1qil n GLY 87 N 0.00 0.26 3.26 0.46 0.00 -1.26 -4.61 105.19 103.30 1qil n GLY 87 Ca 0.00 -0.44 -0.34 0.00 0.00 0.00 0.00 46.02 45.24 1qil n GLY 87 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1qil s VAL 88 N -2.81 3.03 0.36 1.61 1.01 -1.26 -0.92 120.40 121.42 1qil s VAL 88 Ca 0.12 -0.61 0.03 0.00 0.00 0.00 0.00 61.98 61.53 1qil s VAL 88 Cb -0.05 -2.36 -0.04 0.00 0.00 0.00 0.00 36.38 33.92 1qil s VAL 88 CO 0.15 0.45 0.10 0.42 0.00 0.00 0.00 175.10 176.23 1qil s THR 89 N 1.43 0.81 0.85 3.92 -4.23 -0.80 -4.90 115.64 112.71 1qil s THR 89 Ca 0.06 -2.00 -0.12 0.00 -1.18 0.00 0.00 61.69 58.44 1qil s THR 89 Cb -0.14 -2.54 0.11 0.00 1.34 0.00 0.00 72.50 71.27 1qil s THR 89 CO -0.06 0.00 1.17 0.54 -0.54 0.00 0.00 174.62 175.73 1qil s ASN 90 N -3.53 4.08 -0.02 3.99 2.20 -1.26 -1.05 114.94 119.34 1qil s ASN 90 Ca 0.30 0.84 0.08 0.00 -0.94 0.00 0.00 52.86 53.14 1qil s ASN 90 Cb 0.05 -1.35 0.28 0.00 -2.00 0.00 0.00 41.25 38.24 1qil s ASN 90 CO 0.15 -2.18 1.17 0.35 -2.94 0.00 0.00 177.10 173.65 1qil n THR 91 N -3.50 0.58 -2.08 0.54 -2.24 -1.26 -4.34 114.28 101.98 1qil n THR 91 Ca 0.08 -0.44 -0.42 0.00 -2.27 0.00 0.00 64.05 60.99 1qil n THR 91 Cb 0.60 0.05 -0.03 0.00 -2.10 0.00 0.00 70.33 68.85 1qil n THR 91 CO 0.00 0.00 0.00 -0.70 -0.57 0.00 0.00 175.07 173.80 1qil s GLU 92 N -1.63 4.25 0.22 -0.78 2.12 -1.26 -4.97 118.70 116.65 1qil s GLU 92 Ca 0.21 2.14 0.06 0.00 0.36 0.00 0.00 54.97 57.74 1qil s GLU 92 Cb 0.12 -3.52 -0.04 0.00 0.26 0.00 0.00 34.13 30.95 1qil s GLU 92 CO 0.12 -0.62 0.19 0.15 -0.54 0.00 0.00 175.26 174.56 1qil s LYS 93 N 2.27 2.98 0.35 4.30 3.01 -1.26 -0.57 119.74 130.81 1qil s LYS 93 Ca 0.68 -0.96 -0.18 0.00 -1.01 0.00 0.00 55.97 54.51 1qil s LYS 93 Cb -0.36 -2.63 -0.10 0.00 -1.01 0.00 0.00 37.83 33.73 1qil s LYS 93 CO 0.29 0.43 0.82 -0.51 0.51 0.00 0.00 175.35 176.90 1qil s LEU 94 N -3.60 4.06 0.29 3.17 1.02 0.15 -4.64 118.68 119.13 1qil s LEU 94 Ca 0.32 1.46 0.03 0.00 0.02 0.00 0.00 54.13 55.97 1qil s LEU 94 Cb -0.09 -4.20 0.61 0.00 0.02 0.00 0.00 46.19 42.53 1qil s LEU 94 CO 0.25 -0.23 1.83 -0.65 0.02 0.00 0.00 176.35 177.57 1qil h PRO 95 N 2.27 0.90 -2.96 1.29 0.11 -1.99 -3.41 132.00 128.21 1qil h PRO 95 Ca -0.48 -0.05 -0.16 0.00 0.11 0.00 0.00 66.00 65.41 1qil h PRO 95 Cb 1.18 -0.20 -0.27 0.00 0.11 0.00 0.00 31.00 31.82 1qil h PRO 95 CO 0.64 0.60 -0.39 -0.08 -0.21 0.00 0.00 178.00 178.55 1qil s THR 96 N -5.91 -0.02 0.51 -1.15 -1.32 -1.26 -5.15 115.64 101.35 1qil s THR 96 Ca -0.12 0.06 -0.23 0.00 -1.21 0.00 0.00 61.69 60.20 1qil s THR 96 Cb 0.23 -0.44 -0.07 0.00 -1.51 0.00 0.00 72.50 70.71 1qil s THR 96 CO 0.81 0.02 1.26 -0.81 -2.21 0.00 0.00 174.62 173.69 1qil n PRO 97 N 3.50 1.64 -4.44 7.08 -0.04 -1.26 -4.93 135.00 136.56 1qil n PRO 97 Ca -0.18 0.60 -0.25 0.00 -0.04 0.00 0.00 63.50 63.63 1qil n PRO 97 Cb 0.56 -2.43 -0.11 0.00 -0.04 0.00 0.00 33.50 31.48 1qil n PRO 97 CO 0.00 0.00 0.00 0.96 -0.04 0.00 0.00 175.50 176.42 1qil s ILE 98 N -1.29 2.34 -0.18 0.52 -4.36 0.32 -4.83 121.20 113.72 1qil s ILE 98 Ca 0.68 -2.23 -0.10 0.00 -0.26 0.00 0.00 60.65 58.75 1qil s ILE 98 Cb -0.45 -2.19 -0.05 0.00 1.25 0.00 0.00 42.46 41.02 1qil s ILE 98 CO 0.52 -0.31 0.14 -0.70 0.24 0.00 0.00 174.94 174.83 1qil s GLU 99 N -3.17 4.04 -0.16 0.37 2.56 -1.26 0.17 118.70 121.25 1qil s GLU 99 Ca 0.25 -0.19 -0.22 0.00 0.00 0.00 0.00 54.97 54.81 1qil s GLU 99 Cb -0.06 -3.37 -0.03 0.00 2.00 0.00 0.00 34.13 32.67 1qil s GLU 99 CO 0.12 0.40 0.68 -0.51 -0.56 0.00 0.00 175.26 175.39 1qil s LEU 100 N 0.07 4.20 -0.80 2.70 1.43 -1.26 -4.98 118.68 120.03 1qil s LEU 100 Ca 0.10 0.99 -0.25 0.00 -1.03 0.00 0.00 54.13 53.94 1qil s LEU 100 Cb -0.11 -3.00 -0.05 0.00 0.03 0.00 0.00 46.19 43.05 1qil s LEU 100 CO -0.00 -0.25 2.01 -2.16 0.23 0.00 0.00 176.35 176.18 1qil s PRO 101 N 1.62 2.42 -0.21 1.29 0.04 -1.26 -4.94 135.00 133.96 1qil s PRO 101 Ca 0.33 0.11 -0.05 0.00 0.04 0.00 0.00 61.00 61.42 1qil s PRO 101 Cb -0.16 -4.85 -0.02 0.00 0.04 0.00 0.00 34.50 29.51 1qil s PRO 101 CO 0.13 -3.38 -0.01 -1.17 0.04 0.00 0.00 177.00 172.61 1qil s LEU 102 N 10.62 3.19 -0.15 -3.56 2.96 -1.26 -1.37 118.68 129.10 1qil s LEU 102 Ca 0.74 -0.24 0.02 0.00 -0.22 0.00 0.00 54.13 54.43 1qil s LEU 102 Cb -0.09 -1.81 0.01 0.00 0.50 0.00 0.00 46.19 44.79 1qil s LEU 102 CO 0.07 0.04 -0.20 -0.54 -1.32 0.00 0.00 176.35 174.40 1qil s LYS 103 N 1.11 3.07 -0.05 1.98 1.02 -0.93 -4.95 119.74 120.99 1qil s LYS 103 Ca 0.02 -0.82 0.02 0.00 0.02 0.00 0.00 55.97 55.21 1qil s LYS 103 Cb -0.14 -2.50 -0.03 0.00 -0.52 0.00 0.00 37.83 34.64 1qil s LYS 103 CO 0.01 -0.02 -0.10 0.08 -0.92 0.00 0.00 175.35 174.40 1qil s VAL 104 N 0.86 3.47 -0.07 3.17 1.01 -1.26 -1.71 120.40 125.87 1qil s VAL 104 Ca -0.06 -0.61 -0.01 0.00 0.00 0.00 0.00 61.98 61.30 1qil s VAL 104 Cb -0.15 -2.41 0.03 0.00 0.00 0.00 0.00 36.38 33.84 1qil s VAL 104 CO -0.02 0.57 -0.01 -0.54 0.00 0.00 0.00 175.10 175.10 1qil s LYS 105 N -0.87 0.66 -0.29 2.72 1.02 -0.80 -0.40 119.74 121.78 1qil s LYS 105 Ca 0.13 0.07 -0.09 0.00 0.02 0.00 0.00 55.97 56.10 1qil s LYS 105 Cb -0.11 -0.96 -0.01 0.00 -0.52 0.00 0.00 37.83 36.23 1qil s LYS 105 CO 0.02 -0.27 0.12 0.08 -0.92 0.00 0.00 175.35 174.38 1qil s VAL 106 N 1.79 4.48 -1.40 3.17 1.01 0.20 -1.07 120.40 128.58 1qil s VAL 106 Ca 0.02 -0.34 -0.06 0.00 0.00 0.00 0.00 61.98 61.61 1qil s VAL 106 Cb -0.13 -3.22 0.03 0.00 0.00 0.00 0.00 36.38 33.07 1qil s VAL 106 CO -0.05 0.17 0.83 1.41 0.00 0.00 0.00 175.10 177.46 1qil n HIS 107 N 4.96 -2.10 -0.84 5.22 8.25 0.74 -1.24 115.22 130.20 1qil n HIS 107 Ca -0.15 0.87 0.00 0.00 -0.26 0.00 0.00 57.72 58.19 1qil n HIS 107 Cb 0.50 -4.26 0.00 0.00 1.12 0.00 0.00 29.99 27.35 1qil n HIS 107 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1qil n GLY 108 N -1.64 0.62 3.74 -1.41 0.00 -1.26 -5.00 105.19 100.24 1qil n GLY 108 Ca -0.16 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.51 1qil n GLY 108 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1qil s LYS 109 N -0.38 3.31 0.20 1.61 1.02 -0.38 -5.05 119.74 120.08 1qil s LYS 109 Ca 0.00 -0.30 -0.32 0.00 0.02 0.00 0.00 55.97 55.37 1qil s LYS 109 Cb 0.00 -3.00 -0.11 0.00 -0.52 0.00 0.00 37.83 34.19 1qil s LYS 109 CO 0.00 0.66 1.65 0.34 -0.92 0.00 0.00 175.35 177.08 1qil s ASP 110 N -0.72 6.45 -0.22 2.83 -1.08 -1.26 -0.63 116.67 122.04 1qil s ASP 110 Ca 0.12 2.79 -0.00 0.00 -0.52 0.00 0.00 52.55 54.94 1qil s ASP 110 Cb -0.12 -2.60 0.06 0.00 -1.46 0.00 0.00 42.92 38.80 1qil s ASP 110 CO 0.03 -0.91 -0.03 -0.55 0.52 0.00 0.00 175.17 174.22 1qil s SER 111 N 1.07 3.54 0.37 -0.34 0.15 0.47 -4.84 113.70 114.12 1qil s SER 111 Ca 0.72 -1.05 -0.28 0.00 0.70 0.00 0.00 55.95 56.04 1qil s SER 111 Cb -0.47 -1.01 -0.11 0.00 -1.71 0.00 0.00 66.02 62.71 1qil s SER 111 CO 0.34 -0.25 1.40 -0.81 1.20 0.00 0.00 173.24 175.12 1qil n PRO 112 N 4.78 2.41 -1.97 5.44 -0.04 -1.26 -4.13 135.00 140.24 1qil n PRO 112 Ca -0.11 0.85 -0.31 0.00 -0.04 0.00 0.00 63.50 63.88 1qil n PRO 112 Cb 0.45 -2.52 0.00 0.00 -0.04 0.00 0.00 33.50 31.39 1qil n PRO 112 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 1qil s LEU 113 N -1.65 3.30 -0.16 1.53 1.43 -1.26 -5.02 118.68 116.84 1qil s LEU 113 Ca 0.55 1.43 -0.04 0.00 -1.03 0.00 0.00 54.13 55.03 1qil s LEU 113 Cb -0.51 -4.46 0.08 0.00 0.03 0.00 0.00 46.19 41.33 1qil s LEU 113 CO 0.63 -0.82 0.27 -0.75 0.23 0.00 0.00 176.35 175.91 1qil s LYS 114 N -5.01 0.19 -0.57 1.70 2.20 -1.26 -4.90 119.74 112.08 1qil s LYS 114 Ca 0.55 0.61 -0.01 0.00 -0.36 0.00 0.00 55.97 56.76 1qil s LYS 114 Cb -0.11 -0.35 0.00 0.00 -1.51 0.00 0.00 37.83 35.86 1qil s LYS 114 CO 0.50 -0.41 0.17 0.66 -0.36 0.00 0.00 175.35 175.92 1qil n TYR 115 N 5.35 -0.63 -2.74 4.03 4.01 -1.26 -4.92 117.16 121.00 1qil n TYR 115 Ca -0.06 0.15 -0.43 0.00 -0.16 0.00 0.00 57.90 57.41 1qil n TYR 115 Cb 0.50 -2.22 -0.03 0.00 -0.31 0.00 0.00 39.34 37.28 1qil n TYR 115 CO 0.00 0.00 0.00 -0.46 -0.46 0.00 0.00 176.86 175.94 1qil s TRP 116 N -2.68 3.34 0.39 -0.72 -0.00 -1.26 -5.03 118.94 112.98 1qil s TRP 116 Ca 0.09 1.37 -0.09 0.00 -0.00 0.00 0.00 56.10 57.46 1qil s TRP 116 Cb -0.04 -3.19 -0.06 0.00 -0.00 0.00 0.00 33.47 30.18 1qil s TRP 116 CO 0.11 -0.44 0.74 -1.25 -0.00 0.00 0.00 176.95 176.11 1qil s PRO 117 N 3.01 3.74 0.65 5.86 0.04 -1.26 -5.05 135.00 142.00 1qil s PRO 117 Ca 0.41 0.38 -0.09 0.00 0.04 0.00 0.00 61.00 61.75 1qil s PRO 117 Cb -0.15 -2.43 0.01 0.00 0.04 0.00 0.00 34.50 31.97 1qil s PRO 117 CO 0.07 -0.01 1.01 0.15 0.04 0.00 0.00 177.00 178.26 1qil s LYS 118 N -3.87 2.92 0.01 4.56 1.02 -1.26 -4.60 119.74 118.52 1qil s LYS 118 Ca 0.50 0.27 0.07 0.00 0.02 0.00 0.00 55.97 56.82 1qil s LYS 118 Cb -0.10 -2.13 -0.02 0.00 -0.52 0.00 0.00 37.83 35.05 1qil s LYS 118 CO 0.32 -0.87 -0.20 -0.06 -0.92 0.00 0.00 175.35 173.62 1qil s PHE 119 N -3.19 1.77 -0.72 3.18 0.08 0.13 -4.88 117.98 114.34 1qil s PHE 119 Ca 0.56 -0.35 0.13 0.00 0.12 0.00 0.00 56.93 57.39 1qil s PHE 119 Cb -0.11 -1.10 -0.11 0.00 -0.57 0.00 0.00 43.02 41.12 1qil s PHE 119 CO 0.49 0.02 0.58 -0.40 -0.10 0.00 0.00 175.22 175.81 1qil n ASP 120 N 2.28 0.76 -4.91 1.36 5.75 -1.26 -0.52 116.55 120.01 1qil n ASP 120 Ca -0.16 -0.88 -0.28 0.00 -0.01 0.00 0.00 54.79 53.46 1qil n ASP 120 Cb 0.53 0.90 -0.03 0.00 -1.03 0.00 0.00 41.12 41.49 1qil n ASP 120 CO 0.00 0.00 0.00 -0.54 -0.11 0.00 0.00 177.20 176.55 1qil s LYS 121 N -2.10 3.59 0.05 0.11 1.02 -1.26 0.35 119.74 121.49 1qil s LYS 121 Ca 0.06 -0.11 -0.17 0.00 0.02 0.00 0.00 55.97 55.76 1qil s LYS 121 Cb 0.10 -2.69 -0.17 0.00 -0.52 0.00 0.00 37.83 34.54 1qil s LYS 121 CO 0.49 0.25 1.25 -0.22 -0.92 0.00 0.00 175.35 176.19 1qil h LYS 122 N 1.65 0.56 -5.35 1.68 1.63 -1.10 -3.42 116.57 112.22 1qil h LYS 122 Ca -0.48 -0.44 -0.42 0.00 -0.85 0.00 0.00 60.65 58.46 1qil h LYS 122 Cb 1.19 0.09 -0.22 0.00 -0.60 0.00 0.00 32.23 32.69 1qil h LYS 122 CO 0.66 1.07 -0.78 1.14 -3.45 0.00 0.00 179.45 178.09 1qil s GLN 123 N -3.72 0.83 -0.04 1.90 -2.07 -1.26 -1.42 119.66 113.88 1qil s GLN 123 Ca -0.12 -0.93 -0.03 0.00 -1.82 0.00 0.00 55.36 52.45 1qil s GLN 123 Cb 0.06 -0.84 0.01 0.00 -1.09 0.00 0.00 33.01 31.15 1qil s GLN 123 CO 0.83 0.19 0.11 -0.51 -1.32 0.00 0.00 175.29 174.59 1qil s LEU 124 N -1.67 1.49 0.33 2.60 1.43 -0.71 -4.87 118.68 117.29 1qil s LEU 124 Ca -0.02 0.22 -0.29 0.00 -1.03 0.00 0.00 54.13 53.01 1qil s LEU 124 Cb -0.10 0.35 -0.10 0.00 0.03 0.00 0.00 46.19 46.37 1qil s LEU 124 CO 0.02 -0.05 1.38 0.00 0.23 0.00 0.00 176.35 177.93 1qil s ALA 125 N 0.20 3.54 0.46 4.21 0.00 -1.26 -1.75 121.76 127.16 1qil s ALA 125 Ca -0.01 1.36 0.19 0.00 0.00 0.00 0.00 51.96 53.50 1qil s ALA 125 Cb -0.02 -3.53 1.16 0.00 0.00 0.00 0.00 23.12 20.73 1qil s ALA 125 CO -0.01 -0.78 1.95 0.82 0.00 0.00 0.00 175.76 177.75 1qil h ILE 126 N 3.08 0.78 -0.01 0.00 2.04 -1.84 -0.52 117.51 121.05 1qil h ILE 126 Ca -0.49 -0.10 -0.08 0.00 1.00 0.00 0.00 64.86 65.19 1qil h ILE 126 Cb 1.23 0.47 -0.01 0.00 -0.74 0.00 0.00 36.82 37.77 1qil h ILE 126 CO 0.67 0.05 -0.39 0.77 0.00 0.00 0.00 178.15 179.25 1qil h SER 127 N 0.28 0.01 -0.30 1.72 4.64 -1.92 -0.71 113.55 117.29 1qil h SER 127 Ca 0.33 -0.01 -0.13 0.00 -0.47 0.00 0.00 61.79 61.52 1qil h SER 127 Cb 0.89 -0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 62.97 1qil h SER 127 CO -0.08 0.41 -0.31 0.74 -0.87 0.00 0.00 176.83 176.72 1qil h THR 128 N 0.01 1.30 -0.59 2.95 2.02 -1.37 -1.91 112.91 115.33 1qil h THR 128 Ca -0.00 -1.48 -0.05 0.00 0.77 0.00 0.00 66.41 65.65 1qil h THR 128 Cb 0.70 1.57 -0.02 0.00 -1.74 0.00 0.00 68.15 68.65 1qil h THR 128 CO 0.05 0.48 0.18 -0.07 0.37 0.00 0.00 175.52 176.53 1qil h LEU 129 N 0.49 0.85 0.18 2.58 4.07 -1.24 -1.15 115.31 121.09 1qil h LEU 129 Ca 0.05 -0.21 0.01 0.00 0.08 0.00 0.00 57.88 57.81 1qil h LEU 129 Cb 0.88 -0.22 -0.03 0.00 1.08 0.00 0.00 40.66 42.37 1qil h LEU 129 CO 0.08 0.84 -0.27 -0.78 -1.08 0.00 0.00 178.44 177.22 1qil h ASP 130 N 0.83 -0.76 0.94 -0.43 3.58 -1.01 0.03 116.42 119.60 1qil h ASP 130 Ca 0.19 0.08 -0.04 0.00 0.42 0.00 0.00 57.03 57.68 1qil h ASP 130 Cb 0.29 0.28 -0.01 0.00 1.72 0.00 0.00 39.33 41.61 1qil h ASP 130 CO -0.01 -0.37 -0.19 2.19 -2.88 0.00 0.00 179.24 177.98 1qil h PHE 131 N -0.52 0.00 -0.14 0.28 -5.15 -1.23 -1.11 116.94 109.06 1qil h PHE 131 Ca 0.02 0.00 -0.22 0.00 -0.20 0.00 0.00 57.97 57.57 1qil h PHE 131 Cb 0.52 0.00 0.01 0.00 0.22 0.00 0.00 35.95 36.70 1qil h PHE 131 CO -0.22 0.19 -0.78 0.93 -2.00 0.00 0.00 178.31 176.43 1qil h GLU 132 N 0.00 0.75 -0.12 6.09 4.39 -0.89 -2.03 114.58 122.77 1qil h GLU 132 Ca -0.00 -0.61 -0.05 0.00 0.34 0.00 0.00 59.36 59.04 1qil h GLU 132 Cb 0.71 0.13 -0.00 0.00 -0.10 0.00 0.00 28.75 29.49 1qil h GLU 132 CO 0.02 1.22 -0.10 0.82 -1.16 0.00 0.00 179.01 179.81 1qil h ILE 133 N 0.51 1.35 0.00 3.13 2.04 -0.78 -3.08 117.51 120.68 1qil h ILE 133 Ca -0.05 -1.23 -0.05 0.00 1.00 0.00 0.00 64.86 64.53 1qil h ILE 133 Cb 1.40 1.89 -0.01 0.00 -0.74 0.00 0.00 36.82 39.36 1qil h ILE 133 CO 0.16 0.35 -0.25 0.03 0.00 0.00 0.00 178.15 178.44 1qil h ARG 134 N -0.10 0.00 -0.27 2.37 3.08 -1.25 -2.21 114.38 116.00 1qil h ARG 134 Ca 0.02 0.00 -0.16 0.00 0.07 0.00 0.00 59.98 59.91 1qil h ARG 134 Cb 0.61 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.65 1qil h ARG 134 CO 0.03 0.25 -0.47 0.00 -1.07 0.00 0.00 179.97 178.71 1qil h ALA 135 N 1.75 0.67 -0.50 0.04 0.00 -1.38 0.26 119.26 120.10 1qil h ALA 135 Ca -0.00 -0.48 -0.05 0.00 0.00 0.00 0.00 54.91 54.38 1qil h ALA 135 Cb 0.53 -0.10 -0.02 0.00 0.00 0.00 0.00 17.79 18.20 1qil h ALA 135 CO 0.03 0.67 0.11 0.37 0.00 0.00 0.00 179.25 180.43 1qil h GLN 136 N 0.56 0.81 -0.28 0.00 5.75 -1.39 -0.91 115.11 119.66 1qil h GLN 136 Ca 0.03 -0.20 -0.09 0.00 -0.15 0.00 0.00 58.65 58.24 1qil h GLN 136 Cb 1.02 -0.10 -0.01 0.00 1.07 0.00 0.00 27.48 29.46 1qil h GLN 136 CO 0.10 0.79 -0.17 -0.07 -2.65 0.00 0.00 178.83 176.83 1qil h LEU 137 N 0.69 0.64 -0.59 -2.39 3.38 -1.14 0.22 115.31 116.12 1qil h LEU 137 Ca 0.16 -0.43 -0.15 0.00 0.09 0.00 0.00 57.88 57.55 1qil h LEU 137 Cb 0.35 -0.18 -0.01 0.00 0.09 0.00 0.00 40.66 40.91 1qil h LEU 137 CO 0.00 0.93 -0.68 0.71 0.09 0.00 0.00 178.44 179.49 1qil h THR 138 N 0.36 1.44 0.09 0.22 1.35 -0.47 -1.40 112.91 114.50 1qil h THR 138 Ca 0.06 -2.22 -0.33 0.00 -0.55 0.00 0.00 66.41 63.37 1qil h THR 138 Cb 0.70 2.18 -0.02 0.00 -1.73 0.00 0.00 68.15 69.28 1qil h THR 138 CO 0.05 0.65 -1.80 0.00 -0.25 0.00 0.00 175.52 174.16 1qil n GLN 139 N -3.78 0.71 -0.04 4.72 3.00 -0.35 -3.96 117.38 117.67 1qil n GLN 139 Ca -0.02 0.35 -0.12 0.00 -0.01 0.00 0.00 57.00 57.19 1qil n GLN 139 Cb 0.67 -1.72 -0.14 0.00 0.00 0.00 0.00 30.24 29.05 1qil n GLN 139 CO 0.00 0.00 0.00 -0.89 0.00 0.00 0.00 177.06 176.17 1qil n ILE 140 N -3.75 1.60 -0.49 5.09 2.08 0.75 -4.61 119.36 120.03 1qil n ILE 140 Ca -0.32 -0.76 0.07 0.00 0.56 0.00 0.00 62.75 62.30 1qil n ILE 140 Cb 0.95 -1.11 0.21 0.00 -0.75 0.00 0.00 39.64 38.94 1qil n ILE 140 CO 0.00 0.00 0.00 1.41 0.56 0.00 0.00 176.55 178.52 1qil n HIS 141 N -3.10 0.75 -0.90 1.39 8.25 -0.59 -5.00 115.22 116.01 1qil n HIS 141 Ca -0.26 -0.63 0.00 0.00 -0.26 0.00 0.00 57.72 56.57 1qil n HIS 141 Cb 1.07 -0.14 0.00 0.00 1.12 0.00 0.00 29.99 32.03 1qil n HIS 141 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1qil n GLY 142 N 0.28 0.58 3.67 -1.41 0.00 -0.88 -4.90 105.19 102.52 1qil n GLY 142 Ca 0.17 0.00 -0.50 0.00 0.00 0.00 0.00 46.02 45.68 1qil n GLY 142 CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22 1qil n LEU 143 N 0.00 2.78 0.00 0.99 0.00 -0.83 -1.34 117.00 118.60 1qil n LEU 143 Ca 0.00 1.05 0.00 0.00 0.00 0.00 0.00 56.01 57.06 1qil n LEU 143 Cb 0.05 -1.31 0.00 0.00 0.00 0.00 0.00 43.42 42.16 1qil n LEU 143 CO 0.00 -0.39 0.00 -1.22 0.00 0.00 0.00 177.39 175.78 1qil n TYR 144 N 4.62 0.00 1.25 1.96 4.01 0.11 -4.42 117.16 124.69 1qil n TYR 144 Ca 0.21 0.00 0.13 0.00 -0.16 0.00 0.00 57.90 58.08 1qil n TYR 144 Cb 0.24 -0.24 0.42 0.00 -0.31 0.00 0.00 39.34 39.45 1qil n TYR 144 CO 0.00 0.00 0.00 0.54 -0.46 0.00 0.00 176.86 176.94 1qil n ARG 145 N -2.00 0.69 -3.54 -0.72 1.74 -0.45 -4.82 116.66 107.57 1qil n ARG 145 Ca 0.00 -0.37 -0.11 0.00 -0.77 0.00 0.00 57.85 56.60 1qil n ARG 145 Cb 0.00 -1.49 -0.02 0.00 -1.02 0.00 0.00 32.46 29.93 1qil n ARG 145 CO 0.00 0.00 0.00 -1.54 -1.52 0.00 0.00 177.63 174.57 1qil s SER 146 N -2.56 -0.47 0.07 0.55 1.04 -1.26 -5.02 113.70 106.05 1qil s SER 146 Ca 0.24 -0.16 0.06 0.00 0.48 0.00 0.00 55.95 56.57 1qil s SER 146 Cb 0.19 0.62 0.32 0.00 0.10 0.00 0.00 66.02 67.25 1qil s SER 146 CO 0.53 -1.04 1.20 -1.54 0.98 0.00 0.00 173.24 173.37 1qil n SER 147 N -0.38 0.13 -1.03 7.02 3.41 -1.26 -2.40 113.62 119.11 1qil n SER 147 Ca -0.14 0.56 0.12 0.00 -0.26 0.00 0.00 58.87 59.14 1qil n SER 147 Cb 0.64 -0.58 0.24 0.00 -0.26 0.00 0.00 64.21 64.25 1qil n SER 147 CO 0.00 0.00 0.00 -0.90 -0.16 0.00 0.00 175.04 173.98 1qil n ASP 148 N -1.67 3.08 -3.34 4.04 5.75 -1.26 -4.59 116.55 118.56 1qil n ASP 148 Ca 0.00 -1.94 -0.25 0.00 -0.01 0.00 0.00 54.79 52.59 1qil n ASP 148 Cb 0.03 -0.21 -0.09 0.00 -1.03 0.00 0.00 41.12 39.82 1qil n ASP 148 CO 0.00 0.00 0.00 -0.54 -0.11 0.00 0.00 177.20 176.55 1qil s LYS 149 N -1.59 0.89 -0.01 0.11 1.02 -1.01 -4.82 119.74 114.34 1qil s LYS 149 Ca 0.37 -1.94 0.01 0.00 0.02 0.00 0.00 55.97 54.42 1qil s LYS 149 Cb 0.22 -1.26 0.01 0.00 -0.52 0.00 0.00 37.83 36.27 1qil s LYS 149 CO 0.31 -1.37 0.70 0.25 -0.92 0.00 0.00 175.35 174.32 1qil n THR 150 N 2.95 0.30 -3.83 2.17 -2.24 -1.25 0.04 114.28 112.43 1qil n THR 150 Ca 0.27 -0.32 -0.07 0.00 -2.27 0.00 0.00 64.05 61.67 1qil n THR 150 Cb 0.48 0.77 0.00 0.00 -2.10 0.00 0.00 70.33 69.48 1qil n THR 150 CO 0.00 0.00 0.00 -0.83 -0.57 0.00 0.00 175.07 173.67 1qil s GLY 151 N -0.48 0.10 0.00 3.38 0.00 -1.25 -4.18 107.32 104.89 1qil s GLY 151 Ca 0.02 -0.42 0.00 0.00 0.00 0.00 0.00 44.72 44.31 1qil s GLY 151 CO 0.00 0.18 0.00 0.61 0.00 0.00 0.00 173.10 173.89 1qil n GLY 152 N -0.52 0.62 3.65 0.20 0.00 -1.26 -1.45 105.19 106.42 1qil n GLY 152 Ca -0.06 -1.64 -0.02 0.00 0.00 0.00 0.00 46.02 44.30 1qil n GLY 152 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 1qil s TYR 153 N -3.29 -0.11 0.11 1.61 1.13 -0.92 -1.41 117.35 114.48 1qil s TYR 153 Ca 0.00 -0.05 0.08 0.00 -1.41 0.00 0.00 57.07 55.69 1qil s TYR 153 Cb 0.00 0.57 -0.04 0.00 -1.10 0.00 0.00 41.96 41.39 1qil s TYR 153 CO 0.00 -0.47 -0.21 1.67 -2.51 0.00 0.00 175.55 174.03 1qil s TRP 154 N -2.76 1.83 -0.02 -3.49 1.48 -0.75 -1.51 118.94 113.72 1qil s TRP 154 Ca 0.12 -0.42 -0.01 0.00 -1.06 0.00 0.00 56.10 54.73 1qil s TRP 154 Cb 0.01 -0.99 0.02 0.00 -1.16 0.00 0.00 33.47 31.35 1qil s TRP 154 CO -0.03 0.23 0.05 0.21 -4.06 0.00 0.00 176.95 173.35 1qil s LYS 155 N -2.00 0.01 -0.18 3.25 2.20 0.13 -1.39 119.74 121.75 1qil s LYS 155 Ca 0.08 0.16 -0.04 0.00 -0.36 0.00 0.00 55.97 55.80 1qil s LYS 155 Cb -0.10 -0.14 -0.02 0.00 -1.51 0.00 0.00 37.83 36.07 1qil s LYS 155 CO 0.05 -0.10 -0.03 0.42 -0.36 0.00 0.00 175.35 175.32 1qil s ILE 156 N 0.67 3.79 -0.18 5.43 1.01 0.20 -0.30 121.20 131.82 1qil s ILE 156 Ca -0.05 -0.38 -0.03 0.00 0.00 0.00 0.00 60.65 60.19 1qil s ILE 156 Cb -0.08 -2.69 -0.01 0.00 0.01 0.00 0.00 42.46 39.69 1qil s ILE 156 CO -0.02 0.46 -0.07 -0.89 0.00 0.00 0.00 174.94 174.42 1qil s THR 157 N 0.78 3.37 0.60 2.92 2.01 0.04 -0.67 115.64 124.69 1qil s THR 157 Ca -0.01 -0.52 -0.08 0.00 0.31 0.00 0.00 61.69 61.40 1qil s THR 157 Cb -0.14 -2.49 -0.00 0.00 0.01 0.00 0.00 72.50 69.87 1qil s THR 157 CO 0.02 0.46 0.94 -0.04 -0.69 0.00 0.00 174.62 175.32 1qil s MET 158 N 0.96 3.07 0.41 4.92 -1.94 0.82 -0.69 119.30 126.85 1qil s MET 158 Ca -0.01 0.21 0.13 0.00 -1.71 0.00 0.00 55.69 54.31 1qil s MET 158 Cb -0.15 -2.21 0.97 0.00 2.01 0.00 0.00 34.83 35.45 1qil s MET 158 CO 0.00 -0.69 1.94 -0.91 -0.01 0.00 0.00 175.02 175.35 1qil h ASN 159 N -0.24 0.46 -0.07 3.03 2.35 -1.25 -1.43 115.58 118.42 1qil h ASN 159 Ca -0.45 0.02 0.00 0.00 -0.55 0.00 0.00 56.30 55.31 1qil h ASN 159 Cb 1.24 -0.08 0.00 0.00 0.05 0.00 0.00 38.32 39.54 1qil h ASN 159 CO 0.62 0.26 0.00 -0.90 -1.65 0.00 0.00 177.43 175.75 1qil n ASP 160 N -4.49 0.82 0.00 5.81 5.68 -1.26 -4.90 116.55 118.21 1qil n ASP 160 Ca 0.13 -1.51 0.00 0.00 -0.50 0.00 0.00 54.79 52.90 1qil n ASP 160 Cb 0.43 -0.04 0.00 0.00 -1.14 0.00 0.00 41.12 40.37 1qil n ASP 160 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1qil n GLY 161 N 0.98 1.54 3.75 6.12 0.00 -0.54 -5.06 105.19 111.99 1qil n GLY 161 Ca 0.16 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.79 1qil n GLY 161 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1qil s SER 162 N -1.57 5.34 0.12 1.61 0.01 -1.26 -4.71 113.70 113.24 1qil s SER 162 Ca 0.00 2.81 0.05 0.00 1.31 0.00 0.00 55.95 60.12 1qil s SER 162 Cb 0.00 -2.64 -0.04 0.00 0.21 0.00 0.00 66.02 63.55 1qil s SER 162 CO 0.00 -1.53 -0.13 0.42 0.41 0.00 0.00 173.24 172.41 1qil s THR 163 N -1.28 1.26 -0.04 1.44 -4.23 -1.26 -0.12 115.64 111.41 1qil s THR 163 Ca 0.70 -1.74 0.02 0.00 -1.18 0.00 0.00 61.69 59.49 1qil s THR 163 Cb -0.41 -1.54 0.01 0.00 1.34 0.00 0.00 72.50 71.90 1qil s THR 163 CO 0.50 -0.47 -0.08 -0.31 -0.54 0.00 0.00 174.62 173.71 1qil s TYR 164 N -2.31 0.98 0.10 3.99 2.02 0.15 -4.96 117.35 117.32 1qil s TYR 164 Ca 0.09 -0.29 0.02 0.00 -0.37 0.00 0.00 57.07 56.53 1qil s TYR 164 Cb -0.04 -0.75 -0.04 0.00 -0.40 0.00 0.00 41.96 40.73 1qil s TYR 164 CO 0.02 -0.17 -0.07 -1.14 -1.57 0.00 0.00 175.55 172.63 1qil s GLN 165 N 0.54 0.84 -0.12 -0.62 0.74 -1.26 0.59 119.66 120.37 1qil s GLN 165 Ca -0.09 -1.32 -0.11 0.00 0.05 0.00 0.00 55.36 53.89 1qil s GLN 165 Cb -0.12 -0.23 0.03 0.00 1.10 0.00 0.00 33.01 33.78 1qil s GLN 165 CO 0.01 -0.01 0.31 0.45 -0.55 0.00 0.00 175.29 175.50 1qil s SER 166 N -3.00 -0.32 -0.19 6.67 0.15 -0.49 -4.97 113.70 111.55 1qil s SER 166 Ca 0.11 0.62 -0.23 0.00 0.70 0.00 0.00 55.95 57.15 1qil s SER 166 Cb 0.05 0.64 -0.02 0.00 -1.71 0.00 0.00 66.02 64.97 1qil s SER 166 CO -0.04 -0.11 0.76 -0.62 1.20 0.00 0.00 173.24 174.42 1qil s ASP 167 N 0.15 6.83 0.06 5.45 2.15 -1.26 -1.80 116.67 128.24 1qil s ASP 167 Ca -0.00 1.02 0.25 0.00 0.43 0.00 0.00 52.55 54.25 1qil s ASP 167 Cb -0.02 -2.41 1.02 0.00 -0.30 0.00 0.00 42.92 41.21 1qil s ASP 167 CO 0.00 -0.37 1.79 0.18 -0.17 0.00 0.00 175.17 176.61 1qil n LEU 168 N 5.30 0.20 -0.16 -1.34 4.77 -0.50 -3.15 117.00 122.12 1qil n LEU 168 Ca 0.02 0.53 0.14 0.00 -0.03 0.00 0.00 56.01 56.67 1qil n LEU 168 Cb 0.49 -0.47 0.72 0.00 -2.33 0.00 0.00 43.42 41.83 1qil n LEU 168 CO 0.46 -0.12 0.98 -1.54 -1.33 0.00 0.00 177.39 175.84 1qil n SER 169 N -1.69 0.50 -4.01 -1.43 3.41 -1.26 -4.66 113.62 104.49 1qil n SER 169 Ca 0.06 -1.26 -0.10 0.00 -0.26 0.00 0.00 58.87 57.31 1qil n SER 169 Cb 0.32 -0.01 -0.07 0.00 -0.26 0.00 0.00 64.21 64.18 1qil n SER 169 CO 0.00 0.00 0.00 -1.59 -0.16 0.00 0.00 175.04 173.29 1qil s LYS 170 N -1.98 1.19 0.52 4.33 -2.85 -1.19 -4.91 119.74 114.85 1qil s LYS 170 Ca 0.41 -1.25 -0.22 0.00 -1.00 0.00 0.00 55.97 53.91 1qil s LYS 170 Cb 0.20 0.37 -0.06 0.00 -2.06 0.00 0.00 37.83 36.28 1qil s LYS 170 CO 0.32 -0.43 1.25 0.21 0.10 0.00 0.00 175.35 176.80 1qil s LYS 171 N -4.00 3.35 0.27 1.78 2.47 -1.26 -4.87 119.74 117.48 1qil s LYS 171 Ca 0.21 1.97 -0.30 0.00 -1.56 0.00 0.00 55.97 56.28 1qil s LYS 171 Cb 0.04 -2.25 -0.13 0.00 -1.46 0.00 0.00 37.83 34.03 1qil s LYS 171 CO 0.02 -0.94 1.41 0.34 0.16 0.00 0.00 175.35 176.35 1qil n PHE 172 N -0.93 2.29 -2.35 4.03 7.35 -1.26 -4.86 117.46 121.73 1qil n PHE 172 Ca 0.10 0.43 -0.35 0.00 -0.76 0.00 0.00 57.45 56.87 1qil n PHE 172 Cb 0.47 -2.47 -0.04 0.00 0.35 0.00 0.00 39.48 37.79 1qil n PHE 172 CO 0.00 0.00 0.00 -1.21 -0.76 0.00 0.00 176.76 174.79 1qil s GLU 173 N -0.73 3.17 0.41 -4.13 0.41 -1.26 -4.83 118.70 111.74 1qil s GLU 173 Ca 0.65 -0.84 0.19 0.00 -0.41 0.00 0.00 54.97 54.56 1qil s GLU 173 Cb -0.61 -5.25 0.88 0.00 -1.78 0.00 0.00 34.13 27.37 1qil s GLU 173 CO 0.52 -2.72 1.84 1.88 -0.49 0.00 0.00 175.26 176.30 1qil h TYR 174 N 10.28 0.00 0.00 1.61 0.05 -1.99 -3.09 116.97 123.83 1qil h TYR 174 Ca 0.17 0.00 0.00 0.00 0.05 0.00 0.00 58.73 58.95 1qil h TYR 174 Cb 1.00 0.00 0.00 0.00 1.01 0.00 0.00 36.73 38.74 1qil h TYR 174 CO 1.26 0.31 0.00 0.27 -1.05 0.00 0.00 178.16 178.95 1qil n ASN 175 N -3.74 0.00 -0.15 3.88 6.94 -1.26 -2.75 115.26 118.18 1qil n ASN 175 Ca -0.01 0.09 0.03 0.00 -0.02 0.00 0.00 54.58 54.66 1qil n ASN 175 Cb 0.41 -0.33 0.04 0.00 -2.36 0.00 0.00 39.78 37.53 1qil n ASN 175 CO 0.00 0.00 0.00 0.35 -1.03 0.00 0.00 177.26 176.58 1qil n THR 176 N -1.33 0.72 -1.71 5.53 -2.24 -1.18 -4.29 114.28 109.78 1qil n THR 176 Ca 0.09 -0.82 -0.41 0.00 -2.27 0.00 0.00 64.05 60.64 1qil n THR 176 Cb 0.19 0.43 0.01 0.00 -2.10 0.00 0.00 70.33 68.86 1qil n THR 176 CO 0.00 0.00 0.00 1.21 -0.57 0.00 0.00 175.07 175.71 1qil n GLU 177 N -0.49 2.04 -3.13 -0.78 2.13 -1.11 -4.92 120.64 114.39 1qil n GLU 177 Ca 0.04 0.72 -0.19 0.00 0.66 0.00 0.00 57.16 58.39 1qil n GLU 177 Cb 0.53 -2.39 0.01 0.00 0.27 0.00 0.00 31.44 29.86 1qil n GLU 177 CO 0.00 0.00 0.00 0.15 -0.41 0.00 0.00 177.13 176.87 1qil s LYS 178 N -2.11 2.94 0.75 5.31 -0.14 -1.26 -3.43 119.74 121.79 1qil s LYS 178 Ca 0.59 -0.96 -0.15 0.00 -1.36 0.00 0.00 55.97 54.09 1qil s LYS 178 Cb -0.52 -2.71 0.05 0.00 -1.68 0.00 0.00 37.83 32.97 1qil s LYS 178 CO 0.60 -0.21 1.24 -2.14 -0.76 0.00 0.00 175.35 174.08 1qil s PRO 179 N -4.38 1.94 0.70 -1.68 0.02 -1.24 -4.62 135.00 125.74 1qil s PRO 179 Ca 0.50 1.88 -0.16 0.00 0.02 0.00 0.00 61.00 63.24 1qil s PRO 179 Cb -0.10 -1.80 -0.03 0.00 0.02 0.00 0.00 34.50 32.59 1qil s PRO 179 CO 0.34 -2.02 0.64 -2.30 -0.33 0.00 0.00 177.00 173.33 1qil n PRO 180 N -2.81 0.39 -4.45 5.54 -0.02 -1.26 -4.69 135.00 127.69 1qil n PRO 180 Ca 0.14 0.17 -0.25 0.00 -2.02 0.00 0.00 63.50 61.55 1qil n PRO 180 Cb 0.50 -1.91 -0.10 0.00 -0.02 0.00 0.00 33.50 31.96 1qil n PRO 180 CO 0.00 0.00 0.00 0.96 1.98 0.00 0.00 175.50 178.44 1qil s ILE 181 N -1.86 2.43 -0.40 4.25 -4.36 -0.72 -4.89 121.20 115.66 1qil s ILE 181 Ca 0.68 -2.30 -0.27 0.00 -0.26 0.00 0.00 60.65 58.50 1qil s ILE 181 Cb -0.36 -2.24 0.02 0.00 1.25 0.00 0.00 42.46 41.12 1qil s ILE 181 CO 0.55 -0.32 0.99 0.20 0.24 0.00 0.00 174.94 176.60 1qil s ASN 182 N -3.27 6.68 0.60 4.36 0.01 -1.26 -1.73 114.94 120.34 1qil s ASN 182 Ca 0.27 0.55 0.38 0.00 -0.71 0.00 0.00 52.86 53.36 1qil s ASN 182 Cb -0.06 -2.49 1.91 0.00 0.41 0.00 0.00 41.25 41.02 1qil s ASN 182 CO 0.13 -0.97 2.20 0.16 -1.51 0.00 0.00 177.10 177.11 1qil h ILE 183 N 5.93 0.10 0.00 0.60 3.07 -1.52 -1.41 117.51 124.27 1qil h ILE 183 Ca -0.23 -0.26 0.00 0.00 1.55 0.00 0.00 64.86 65.92 1qil h ILE 183 Cb 1.07 1.23 0.00 0.00 -0.27 0.00 0.00 36.82 38.85 1qil h ILE 183 CO 1.02 0.02 0.00 -0.90 -1.05 0.00 0.00 178.15 177.24 1qil n ASP 184 N -3.19 0.00 -0.83 2.16 5.75 -1.26 -2.36 116.55 116.82 1qil n ASP 184 Ca -0.02 -0.92 0.08 0.00 -0.01 0.00 0.00 54.79 53.92 1qil n ASP 184 Cb 0.18 0.00 0.18 0.00 -1.03 0.00 0.00 41.12 40.45 1qil n ASP 184 CO 0.00 0.00 0.00 -0.62 -0.11 0.00 0.00 177.20 176.47 1qil n GLU 185 N -0.92 2.54 -2.95 0.11 1.02 -0.53 -4.96 120.64 114.95 1qil n GLU 185 Ca 0.16 -2.11 -0.40 0.00 -0.02 0.00 0.00 57.16 54.79 1qil n GLU 185 Cb 0.07 -1.35 -0.04 0.00 -0.02 0.00 0.00 31.44 30.10 1qil n GLU 185 CO 0.00 0.00 0.00 0.42 1.18 0.00 0.00 177.13 178.73 1qil s ILE 186 N -1.04 4.99 -0.21 -3.67 1.01 -1.00 -0.74 121.20 120.54 1qil s ILE 186 Ca 0.29 1.62 -0.17 0.00 0.00 0.00 0.00 60.65 62.39 1qil s ILE 186 Cb 0.16 -4.12 -0.13 0.00 0.01 0.00 0.00 42.46 38.38 1qil s ILE 186 CO 0.21 0.21 -0.08 1.17 0.00 0.00 0.00 174.94 176.45 1qil n LYS 187 N 3.92 0.55 -3.87 2.79 4.81 0.14 -4.84 118.16 121.65 1qil n LYS 187 Ca 0.01 0.44 -0.11 0.00 -0.87 0.00 0.00 58.31 57.79 1qil n LYS 187 Cb 0.51 -1.63 -0.09 0.00 0.02 0.00 0.00 35.03 33.83 1qil n LYS 187 CO 0.00 0.00 0.00 0.95 1.17 0.00 0.00 177.40 179.52 1qil s THR 188 N -2.44 0.10 -0.06 3.15 -4.23 -1.10 -4.80 115.64 106.26 1qil s THR 188 Ca -0.29 -0.82 0.02 0.00 -1.18 0.00 0.00 61.69 59.42 1qil s THR 188 Cb 0.07 -0.65 0.01 0.00 1.34 0.00 0.00 72.50 73.27 1qil s THR 188 CO 0.48 -0.45 -0.12 -0.63 -0.54 0.00 0.00 174.62 173.36 1qil s ILE 189 N -1.93 1.10 -0.07 2.99 1.01 -0.47 -0.78 121.20 123.04 1qil s ILE 189 Ca -0.10 -0.46 0.02 0.00 0.00 0.00 0.00 60.65 60.11 1qil s ILE 189 Cb -0.05 -1.01 0.02 0.00 0.01 0.00 0.00 42.46 41.43 1qil s ILE 189 CO -0.01 0.35 -0.10 -1.61 0.00 0.00 0.00 174.94 173.56 1qil s GLU 190 N 0.70 1.57 -0.02 2.79 2.02 0.60 -2.20 118.70 124.15 1qil s GLU 190 Ca -0.14 -0.35 0.07 0.00 0.02 0.00 0.00 54.97 54.57 1qil s GLU 190 Cb -0.16 -1.38 -0.02 0.00 0.10 0.00 0.00 34.13 32.67 1qil s GLU 190 CO 0.03 -0.05 -0.22 0.00 0.02 0.00 0.00 175.26 175.05 1qil s ALA 191 N 0.90 1.87 -0.08 5.21 0.00 -0.69 0.21 121.76 129.18 1qil s ALA 191 Ca -0.10 -0.95 -0.03 0.00 0.00 0.00 0.00 51.96 50.88 1qil s ALA 191 Cb -0.15 -0.50 0.05 0.00 0.00 0.00 0.00 23.12 22.52 1qil s ALA 191 CO 0.01 0.44 0.16 -2.00 0.00 0.00 0.00 175.76 174.37 1qil s GLU 192 N -0.43 0.06 -0.13 0.00 2.12 -0.57 -1.91 118.70 117.83 1qil s GLU 192 Ca 0.06 0.52 -0.07 0.00 0.36 0.00 0.00 54.97 55.85 1qil s GLU 192 Cb -0.09 -0.23 -0.04 0.00 0.26 0.00 0.00 34.13 34.02 1qil s GLU 192 CO -0.00 -0.27 0.11 0.42 -0.54 0.00 0.00 175.26 174.98 1qil s ILE 193 N 1.98 5.21 0.00 -3.70 1.01 -0.23 -2.16 121.20 123.30 1qil s ILE 193 Ca -0.01 0.10 0.00 0.00 0.00 0.00 0.00 60.65 60.74 1qil s ILE 193 Cb -0.12 -3.28 0.00 0.00 0.01 0.00 0.00 42.46 39.07 1qil s ILE 193 CO -0.06 0.57 0.49 0.59 0.00 0.00 0.00 174.94 176.53