#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2qya s ARG 3 N 0.00 1.14 -0.05 0.00 1.81 -1.26 -4.45 118.95 116.14 2qya s ARG 3 Ca 0.00 -0.66 0.05 0.00 -1.72 0.00 0.00 55.73 53.40 2qya s ARG 3 Cb 0.00 -1.13 -0.02 0.00 -0.45 0.00 0.00 34.95 33.35 2qya s ARG 3 CO 0.00 0.30 -0.19 0.54 -0.68 0.00 0.00 175.30 175.27 2qya s VAL 4 N -0.57 2.64 -0.14 3.52 0.11 0.52 -1.90 120.40 124.58 2qya s VAL 4 Ca 0.05 -0.87 -0.25 0.00 -2.93 0.00 0.00 61.98 57.97 2qya s VAL 4 Cb -0.07 -2.01 -0.02 0.00 -1.53 0.00 0.00 36.38 32.76 2qya s VAL 4 CO 0.00 0.58 0.82 -0.76 -3.33 0.00 0.00 175.10 172.41 2qya s LEU 5 N -0.50 4.21 -0.18 2.54 1.43 0.23 -0.76 118.68 125.65 2qya s LEU 5 Ca 0.06 1.21 -0.02 0.00 -1.03 0.00 0.00 54.13 54.36 2qya s LEU 5 Cb -0.11 -3.23 -0.00 0.00 0.03 0.00 0.00 46.19 42.87 2qya s LEU 5 CO 0.01 -0.35 -0.11 -0.22 0.23 0.00 0.00 176.35 175.92 2qya s LEU 6 N 1.86 2.68 -0.22 1.79 2.96 -0.04 -0.89 118.68 126.83 2qya s LEU 6 Ca 0.39 -0.42 0.00 0.00 -0.22 0.00 0.00 54.13 53.88 2qya s LEU 6 Cb -0.17 -1.64 0.05 0.00 0.50 0.00 0.00 46.19 44.93 2qya s LEU 6 CO 0.14 0.05 -0.05 0.21 -1.32 0.00 0.00 176.35 175.38 2qya s ASN 7 N 1.04 3.56 -0.19 3.68 2.47 0.12 0.16 114.94 125.77 2qya s ASN 7 Ca -0.00 -1.03 -0.02 0.00 0.42 0.00 0.00 52.86 52.23 2qya s ASN 7 Cb -0.15 -1.10 -0.00 0.00 -1.45 0.00 0.00 41.25 38.55 2qya s ASN 7 CO -0.02 -0.22 -0.10 -0.63 -3.72 0.00 0.00 177.10 172.41 2qya s ILE 8 N 1.47 2.93 -0.02 -5.21 1.01 -1.26 -0.28 121.20 119.84 2qya s ILE 8 Ca -0.04 -0.65 0.01 0.00 0.00 0.00 0.00 60.65 59.97 2qya s ILE 8 Cb -0.18 -2.29 0.02 0.00 0.01 0.00 0.00 42.46 40.01 2qya s ILE 8 CO -0.07 0.47 -0.02 -2.28 0.00 0.00 0.00 174.94 173.04 2qya s HIS 9 N 1.24 0.39 -0.14 3.97 2.46 -0.65 -5.01 115.29 117.55 2qya s HIS 9 Ca 0.03 -0.05 -0.02 0.00 0.47 0.00 0.00 55.06 55.48 2qya s HIS 9 Cb -0.14 -0.38 -0.02 0.00 -0.13 0.00 0.00 32.58 31.91 2qya s HIS 9 CO -0.04 -0.09 -0.08 0.20 -2.47 0.00 0.00 174.74 172.26 2qya s GLY 10 N 0.59 1.65 -0.11 1.59 0.00 -1.26 -0.96 107.32 108.81 2qya s GLY 10 Ca -0.06 -0.85 -0.11 0.00 0.00 0.00 0.00 44.72 43.69 2qya s GLY 10 CO -0.01 -0.18 0.32 -0.51 0.00 0.00 0.00 173.10 172.73 2qya s THR 11 N 0.24 0.00 0.00 0.90 -4.23 0.16 -5.00 115.64 107.72 2qya s THR 11 Ca -0.05 -0.03 0.00 0.00 -1.18 0.00 0.00 61.69 60.43 2qya s THR 11 Cb -0.15 -0.46 0.00 0.00 1.34 0.00 0.00 72.50 73.23 2qya s THR 11 CO 0.04 -0.02 0.00 0.61 -0.54 0.00 0.00 174.62 174.71 2qya n GLY 12 N 2.81 3.32 1.19 3.99 0.00 -1.26 -1.54 105.19 113.70 2qya n GLY 12 Ca -0.13 0.26 0.11 0.00 0.00 0.00 0.00 46.02 46.25 2qya n GLY 12 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 2qya n ASP 13 N 8.87 3.61 -4.10 1.61 8.00 -1.26 -4.99 116.55 128.28 2qya n ASP 13 Ca 0.00 -1.98 -0.28 0.00 0.71 0.00 0.00 54.79 53.23 2qya n ASP 13 Cb 0.00 -0.35 -0.17 0.00 -0.02 0.00 0.00 41.12 40.59 2qya n ASP 13 CO 0.00 0.00 0.00 -0.89 -0.39 0.00 0.00 177.20 175.92 2qya s THR 14 N -1.23 1.58 -0.18 -3.53 2.01 -0.59 -0.79 115.64 112.90 2qya s THR 14 Ca 0.41 -0.72 -0.01 0.00 0.31 0.00 0.00 61.69 61.69 2qya s THR 14 Cb 0.23 -1.41 0.00 0.00 0.01 0.00 0.00 72.50 71.33 2qya s THR 14 CO 0.31 0.45 -0.13 -0.69 -0.69 0.00 0.00 174.62 173.88 2qya s VAL 15 N 0.68 2.75 -0.25 3.82 1.01 0.44 -0.66 120.40 128.19 2qya s VAL 15 Ca -0.13 -0.72 -0.10 0.00 0.00 0.00 0.00 61.98 61.03 2qya s VAL 15 Cb -0.16 -2.20 -0.05 0.00 0.00 0.00 0.00 36.38 33.97 2qya s VAL 15 CO 0.03 0.49 0.15 -0.69 0.00 0.00 0.00 175.10 175.09 2qya s VAL 16 N 1.17 5.21 -0.35 2.92 1.01 -0.13 -0.50 120.40 129.73 2qya s VAL 16 Ca 0.02 0.13 -0.08 0.00 0.00 0.00 0.00 61.98 62.05 2qya s VAL 16 Cb -0.14 -3.44 0.04 0.00 0.00 0.00 0.00 36.38 32.83 2qya s VAL 16 CO -0.05 0.32 0.13 -0.76 0.00 0.00 0.00 175.10 174.75 2qya s LEU 17 N 1.27 4.42 -0.12 3.92 1.43 -0.18 -1.64 118.68 127.78 2qya s LEU 17 Ca 0.07 -1.10 -0.02 0.00 -1.03 0.00 0.00 54.13 52.05 2qya s LEU 17 Cb -0.14 -1.91 -0.03 0.00 0.03 0.00 0.00 46.19 44.14 2qya s LEU 17 CO 0.06 -0.34 -0.05 0.00 0.23 0.00 0.00 176.35 176.25 2qya s ALA 18 N 1.44 2.98 -0.04 4.21 0.00 0.61 -1.82 121.76 129.15 2qya s ALA 18 Ca -0.01 -0.84 0.05 0.00 0.00 0.00 0.00 51.96 51.16 2qya s ALA 18 Cb -0.19 -1.42 -0.01 0.00 0.00 0.00 0.00 23.12 21.50 2qya s ALA 18 CO 0.04 0.35 -0.19 -0.51 0.00 0.00 0.00 175.76 175.45 2qya s LEU 19 N -0.08 1.97 -0.06 0.00 1.43 0.05 -0.70 118.68 121.28 2qya s LEU 19 Ca 0.01 -0.37 -0.05 0.00 -1.03 0.00 0.00 54.13 52.69 2qya s LEU 19 Cb -0.13 -1.03 0.02 0.00 0.03 0.00 0.00 46.19 45.08 2qya s LEU 19 CO 0.03 0.19 0.16 0.00 0.23 0.00 0.00 176.35 176.96 2qya n ASP 21 N 3.27 3.80 -0.29 0.00 9.92 -0.72 0.78 116.55 133.31 2qya n ASP 21 Ca -0.16 1.07 -0.02 0.00 -0.53 0.00 0.00 54.79 55.16 2qya n ASP 21 Cb 0.57 -1.55 0.10 0.00 -0.64 0.00 0.00 41.12 39.61 2qya n ASP 21 CO 0.00 0.00 0.00 -0.08 0.13 0.00 0.00 177.20 177.25 2qya h GLU 22 N 6.38 0.94 0.00 -1.24 4.81 -1.72 -1.57 114.58 122.19 2qya h GLU 22 Ca -0.44 -0.06 0.00 0.00 -0.13 0.00 0.00 59.36 58.74 2qya h GLU 22 Cb 1.21 -0.21 0.00 0.00 0.63 0.00 0.00 28.75 30.38 2qya h GLU 22 CO 0.93 0.62 0.00 -0.40 -0.73 0.00 0.00 179.01 179.43 2qya n ASP 23 N -4.61 0.00 0.05 1.04 5.68 -1.26 -2.12 116.55 115.34 2qya n ASP 23 Ca 0.10 0.21 0.08 0.00 -0.50 0.00 0.00 54.79 54.67 2qya n ASP 23 Cb 0.10 -0.33 -0.06 0.00 -1.14 0.00 0.00 41.12 39.68 2qya n ASP 23 CO 0.00 0.00 0.00 0.18 -1.33 0.00 0.00 177.20 176.05 2qya n LEU 24 N -1.33 0.62 -4.72 -2.12 4.77 -0.59 -4.91 117.00 108.72 2qya n LEU 24 Ca 0.05 0.25 -0.43 0.00 -0.03 0.00 0.00 56.01 55.85 2qya n LEU 24 Cb 0.10 0.01 -0.03 0.00 -2.33 0.00 0.00 43.42 41.17 2qya n LEU 24 CO 0.09 -0.04 1.28 -0.11 -1.33 0.00 0.00 177.39 177.28 2qya n LEU 25 N -2.63 3.91 -0.22 2.23 7.94 -0.90 -1.84 117.00 125.49 2qya n LEU 25 Ca -0.05 1.10 -0.03 0.00 -1.11 0.00 0.00 56.01 55.92 2qya n LEU 25 Cb 0.64 -1.55 -0.01 0.00 0.53 0.00 0.00 43.42 43.03 2qya n LEU 25 CO 0.42 0.06 -0.03 0.61 -1.11 0.00 0.00 177.39 177.34 2qya n GLY 26 N 3.22 0.61 3.96 -3.96 0.00 0.89 -5.06 105.19 104.85 2qya n GLY 26 Ca 0.14 -0.65 -0.19 0.00 0.00 0.00 0.00 46.02 45.32 2qya n GLY 26 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2qya s VAL 27 N -2.05 3.56 -0.11 1.61 0.11 -0.77 -4.90 120.40 117.85 2qya s VAL 27 Ca 0.00 -1.09 0.03 0.00 -2.93 0.00 0.00 61.98 57.99 2qya s VAL 27 Cb 0.00 -3.22 -0.01 0.00 -1.53 0.00 0.00 36.38 31.62 2qya s VAL 27 CO 0.00 -0.10 -0.20 -1.61 -3.33 0.00 0.00 175.10 169.86 2qya s GLU 28 N -4.19 3.11 -0.11 1.54 2.02 -1.26 -1.48 118.70 118.34 2qya s GLU 28 Ca 0.47 -0.80 0.02 0.00 0.02 0.00 0.00 54.97 54.68 2qya s GLU 28 Cb -0.09 -2.41 -0.01 0.00 0.10 0.00 0.00 34.13 31.72 2qya s GLU 28 CO 0.31 0.22 -0.17 -0.51 0.02 0.00 0.00 175.26 175.13 2qya s LEU 29 N 0.27 2.50 -0.14 1.80 1.43 0.13 -4.96 118.68 119.72 2qya s LEU 29 Ca -0.14 -0.39 -0.04 0.00 -1.03 0.00 0.00 54.13 52.54 2qya s LEU 29 Cb -0.17 -1.53 -0.03 0.00 0.03 0.00 0.00 46.19 44.49 2qya s LEU 29 CO 0.07 0.19 -0.02 -0.54 0.23 0.00 0.00 176.35 176.29 2qya s LYS 30 N 0.19 3.50 -0.22 1.70 1.02 -1.26 0.42 119.74 125.09 2qya s LYS 30 Ca -0.10 -0.47 -0.11 0.00 0.02 0.00 0.00 55.97 55.32 2qya s LYS 30 Cb -0.16 -2.91 0.08 0.00 -0.52 0.00 0.00 37.83 34.33 2qya s LYS 30 CO 0.06 0.38 0.52 1.52 -0.92 0.00 0.00 175.35 176.91 2qya s TYR 31 N -0.01 -0.87 -1.56 3.18 1.13 -1.09 -4.62 117.35 113.51 2qya s TYR 31 Ca 0.02 1.71 -0.03 0.00 -1.41 0.00 0.00 57.07 57.36 2qya s TYR 31 Cb -0.13 0.45 0.03 0.00 -1.10 0.00 0.00 41.96 41.21 2qya s TYR 31 CO 0.02 -0.47 0.16 1.63 -2.51 0.00 0.00 175.55 174.39 2qya n LYS 32 N 4.70 -1.42 -0.24 -3.49 5.02 -1.26 -0.98 118.16 120.49 2qya n LYS 32 Ca -0.17 0.16 0.00 0.00 -2.02 0.00 0.00 58.31 56.28 2qya n LYS 32 Cb 0.54 -3.92 0.00 0.00 -0.02 0.00 0.00 35.03 31.63 2qya n LYS 32 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 2qya n GLY 33 N -2.28 1.43 3.92 0.72 0.00 -1.26 -5.04 105.19 102.68 2qya n GLY 33 Ca -0.27 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.49 2qya n GLY 33 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2qya s ARG 34 N -0.39 3.03 -0.16 1.61 0.52 -0.16 -5.09 118.95 118.32 2qya s ARG 34 Ca 0.00 -0.01 -0.01 0.00 -0.52 0.00 0.00 55.73 55.19 2qya s ARG 34 Cb 0.00 -2.31 0.05 0.00 0.52 0.00 0.00 34.95 33.20 2qya s ARG 34 CO 0.00 -0.59 -0.01 0.99 0.02 0.00 0.00 175.30 175.71 2qya s THR 35 N -2.92 0.79 -0.25 0.02 2.01 -1.26 -2.66 115.64 111.38 2qya s THR 35 Ca 0.52 -0.49 -0.12 0.00 0.31 0.00 0.00 61.69 61.92 2qya s THR 35 Cb -0.10 -1.08 -0.05 0.00 0.01 0.00 0.00 72.50 71.28 2qya s THR 35 CO 0.45 0.03 0.22 -0.22 -0.69 0.00 0.00 174.62 174.41 2qya s LEU 36 N 1.76 4.09 -0.37 4.42 2.96 0.17 -4.95 118.68 126.75 2qya s LEU 36 Ca 0.01 0.16 -0.18 0.00 -0.22 0.00 0.00 54.13 53.90 2qya s LEU 36 Cb -0.15 -2.20 0.00 0.00 0.50 0.00 0.00 46.19 44.34 2qya s LEU 36 CO -0.07 -0.01 0.50 -1.00 -1.32 0.00 0.00 176.35 174.45 2qya s HIS 37 N 1.36 3.16 -1.39 5.38 3.76 -1.26 -0.70 115.29 125.60 2qya s HIS 37 Ca 0.10 0.03 -0.16 0.00 -0.15 0.00 0.00 55.06 54.88 2qya s HIS 37 Cb -0.14 -2.95 0.05 0.00 1.11 0.00 0.00 32.58 30.64 2qya s HIS 37 CO 0.07 -0.60 2.04 -0.89 -0.85 0.00 0.00 174.74 174.51 2qya n ILE 38 N 5.47 3.62 -3.12 0.60 2.08 -0.55 -4.95 119.36 122.51 2qya n ILE 38 Ca -0.05 -3.42 -0.36 0.00 0.56 0.00 0.00 62.75 59.48 2qya n ILE 38 Cb 0.49 -2.51 -0.06 0.00 -0.75 0.00 0.00 39.64 36.81 2qya n ILE 38 CO 0.00 0.00 0.00 -0.94 0.56 0.00 0.00 176.55 176.17 2qya s SER 39 N 3.63 7.07 0.23 4.38 1.04 -1.26 -0.08 113.70 128.71 2qya s SER 39 Ca 0.50 1.40 -0.07 0.00 0.48 0.00 0.00 55.95 58.26 2qya s SER 39 Cb 0.10 -2.41 0.38 0.00 0.10 0.00 0.00 66.02 64.19 2qya s SER 39 CO -0.02 0.07 1.71 -0.08 0.98 0.00 0.00 173.24 175.89 2qya h GLU 40 N 3.58 0.30 -0.35 4.02 4.81 -1.93 0.18 114.58 125.20 2qya h GLU 40 Ca -0.48 -0.02 0.03 0.00 -0.13 0.00 0.00 59.36 58.76 2qya h GLU 40 Cb 1.20 -0.07 -0.03 0.00 0.63 0.00 0.00 28.75 30.48 2qya h GLU 40 CO 0.65 0.20 0.17 -1.00 -0.73 0.00 0.00 179.01 178.30 2qya h PRO 41 N 0.31 0.34 -0.01 0.92 0.13 -1.96 -3.20 132.00 128.53 2qya h PRO 41 Ca 0.37 -0.02 -0.19 0.00 -0.87 0.00 0.00 66.00 65.29 2qya h PRO 41 Cb 0.57 -0.08 0.02 0.00 0.13 0.00 0.00 31.00 31.64 2qya h PRO 41 CO -0.43 0.23 -0.74 0.74 -0.23 0.00 0.00 178.00 177.56 2qya h PHE 42 N 0.35 0.76 -3.71 1.56 0.04 -1.86 -3.41 116.94 110.67 2qya h PHE 42 Ca 0.15 -0.41 -0.69 0.00 2.80 0.00 0.00 57.97 59.82 2qya h PHE 42 Cb 0.06 -0.09 -0.32 0.00 2.20 0.00 0.00 35.95 37.81 2qya h PHE 42 CO -0.10 1.23 -0.65 0.71 -0.60 0.00 0.00 178.31 178.90 2qya s TYR 43 N -3.27 3.29 -0.31 -0.55 2.02 0.58 -4.97 117.35 114.15 2qya s TYR 43 Ca -0.12 -1.77 -0.12 0.00 -0.37 0.00 0.00 57.07 54.69 2qya s TYR 43 Cb 0.05 -2.27 0.19 0.00 -0.40 0.00 0.00 41.96 39.53 2qya s TYR 43 CO 0.86 -0.79 1.11 -1.54 -1.57 0.00 0.00 175.55 173.61 2qya s SER 44 N 1.36 -0.16 0.24 2.29 1.04 -1.22 -3.80 113.70 113.45 2qya s SER 44 Ca -0.03 -0.06 0.00 0.00 0.48 0.00 0.00 55.95 56.34 2qya s SER 44 Cb -0.20 0.33 0.00 0.00 0.10 0.00 0.00 66.02 66.26 2qya s SER 44 CO -0.00 -0.02 0.03 0.61 0.98 0.00 0.00 173.24 174.84 2qya n GLY 45 N 3.81 3.73 3.71 7.32 0.00 -1.26 -4.78 105.19 117.72 2qya n GLY 45 Ca 0.06 -2.28 -0.42 0.00 0.00 0.00 0.00 46.02 43.38 2qya n GLY 45 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 2qya s LYS 46 N -2.89 4.32 -0.16 1.61 2.20 0.12 -4.61 119.74 120.34 2qya s LYS 46 Ca 0.02 2.02 -0.29 0.00 -0.36 0.00 0.00 55.97 57.36 2qya s LYS 46 Cb -0.00 -3.34 -0.00 0.00 -1.51 0.00 0.00 37.83 32.97 2qya s LYS 46 CO 0.02 -0.46 1.02 0.45 -0.36 0.00 0.00 175.35 176.02 2qya s SER 47 N 1.31 7.18 0.20 1.43 0.15 -1.26 -0.86 113.70 121.85 2qya s SER 47 Ca 0.64 1.46 -0.07 0.00 0.70 0.00 0.00 55.95 58.68 2qya s SER 47 Cb -0.35 -2.55 -0.02 0.00 -1.71 0.00 0.00 66.02 61.40 2qya s SER 47 CO 0.29 -0.54 0.29 0.00 1.20 0.00 0.00 173.24 174.48 2qya s MET 48 N 2.50 1.28 0.10 5.44 0.00 0.06 -4.96 119.30 123.72 2qya s MET 48 Ca 0.46 -1.35 -0.30 0.00 0.00 0.00 0.00 55.69 54.51 2qya s MET 48 Cb -0.17 0.37 -0.05 0.00 0.00 0.00 0.00 34.83 34.97 2qya s MET 48 CO 0.13 -0.47 0.99 -2.00 0.00 0.00 0.00 175.02 173.66 2qya s GLU 49 N -4.05 4.66 0.27 3.16 2.56 -1.26 -0.36 118.70 123.69 2qya s GLU 49 Ca 0.26 1.48 -0.04 0.00 0.00 0.00 0.00 54.97 56.67 2qya s GLU 49 Cb 0.03 -3.38 0.55 0.00 2.00 0.00 0.00 34.13 33.33 2qya s GLU 49 CO 0.07 0.14 1.46 -2.30 -0.56 0.00 0.00 175.26 174.07 2qya n PRO 50 N 2.97 -0.08 -0.33 4.30 -0.01 -1.26 0.06 135.00 140.65 2qya n PRO 50 Ca 0.03 1.44 -0.03 0.00 -0.01 0.00 0.00 63.50 64.93 2qya n PRO 50 Cb 0.49 -2.20 0.11 0.00 -0.01 0.00 0.00 33.50 31.89 2qya n PRO 50 CO 0.00 0.00 0.00 -0.44 -0.01 0.00 0.00 175.50 175.05 2qya h ASP 51 N 0.00 1.11 -0.04 2.55 5.19 -1.97 0.62 116.42 123.88 2qya h ASP 51 Ca 0.50 -0.08 -0.15 0.00 -0.62 0.00 0.00 57.03 56.68 2qya h ASP 51 Cb 0.88 -0.28 -0.01 0.00 0.18 0.00 0.00 39.33 40.10 2qya h ASP 51 CO -0.93 0.87 -0.48 -0.09 -3.12 0.00 0.00 179.24 175.48 2qya h ARG 52 N 1.26 0.60 -0.14 3.56 2.43 -0.76 -2.60 114.38 118.73 2qya h ARG 52 Ca 0.32 -0.34 -0.00 0.00 -0.81 0.00 0.00 59.98 59.15 2qya h ARG 52 Cb -0.01 0.03 -0.01 0.00 -0.42 0.00 0.00 29.97 29.55 2qya h ARG 52 CO -0.06 0.95 0.08 0.00 -1.51 0.00 0.00 179.97 179.44 2qya h ALA 53 N 0.99 0.18 -0.84 2.80 0.00 -0.37 -1.90 119.26 120.12 2qya h ALA 53 Ca 0.02 -0.03 0.13 0.00 0.00 0.00 0.00 54.91 55.03 2qya h ALA 53 Cb 1.02 -0.06 -0.09 0.00 0.00 0.00 0.00 17.79 18.66 2qya h ALA 53 CO 0.09 -0.32 0.45 0.00 0.00 0.00 0.00 179.25 179.48 2qya h ALA 54 N 1.01 1.24 -0.10 0.00 0.00 -0.90 -0.07 119.26 120.45 2qya h ALA 54 Ca 0.05 0.07 -0.01 0.00 0.00 0.00 0.00 54.91 55.02 2qya h ALA 54 Cb 0.02 -0.06 -0.00 0.00 0.00 0.00 0.00 17.79 17.75 2qya h ALA 54 CO -0.01 -0.03 0.04 -0.22 0.00 0.00 0.00 179.25 179.04 2qya h LYS 55 N 0.68 0.15 -0.68 0.00 3.64 -1.24 -1.46 116.57 117.66 2qya h LYS 55 Ca 0.44 -0.03 -0.03 0.00 -1.27 0.00 0.00 60.65 59.77 2qya h LYS 55 Cb 0.55 -0.02 -0.03 0.00 -0.41 0.00 0.00 32.23 32.32 2qya h LYS 55 CO -0.32 0.26 0.32 0.87 -2.27 0.00 0.00 179.45 178.30 2qya h LYS 56 N 0.01 0.96 0.04 1.90 6.56 -0.68 -1.36 116.57 124.00 2qya h LYS 56 Ca 0.03 -0.13 -0.00 0.00 -1.06 0.00 0.00 60.65 59.49 2qya h LYS 56 Cb 0.16 -0.18 0.00 0.00 -0.57 0.00 0.00 32.23 31.64 2qya h LYS 56 CO -0.00 0.75 -0.02 0.82 -2.06 0.00 0.00 179.45 178.94 2qya h ILE 57 N 0.96 1.12 -0.57 1.86 5.03 -0.94 -1.09 117.51 123.89 2qya h ILE 57 Ca 0.23 -0.50 0.12 0.00 -0.12 0.00 0.00 64.86 64.59 2qya h ILE 57 Cb 0.11 1.45 -0.10 0.00 -3.03 0.00 0.00 36.82 35.25 2qya h ILE 57 CO -0.03 0.13 -0.04 0.03 -0.68 0.00 0.00 178.15 177.56 2qya h ARG 58 N -0.27 0.08 -0.42 2.37 3.08 -1.09 -1.61 114.38 116.52 2qya h ARG 58 Ca -0.00 -0.00 -0.13 0.00 0.07 0.00 0.00 59.98 59.91 2qya h ARG 58 Cb 0.24 -0.02 -0.01 0.00 0.08 0.00 0.00 29.97 30.26 2qya h ARG 58 CO 0.01 0.05 -0.25 0.93 -1.07 0.00 0.00 179.97 179.64 2qya h GLU 59 N 0.08 0.88 -0.27 0.04 5.08 -1.03 -2.30 114.58 117.07 2qya h GLU 59 Ca 0.29 -0.38 -0.13 0.00 -1.00 0.00 0.00 59.36 58.14 2qya h GLU 59 Cb 0.46 -0.03 -0.01 0.00 0.50 0.00 0.00 28.75 29.67 2qya h GLU 59 CO -0.51 1.03 -0.36 0.00 -1.00 0.00 0.00 179.01 178.16 2qya h ALA 60 N 0.95 0.86 -0.15 3.43 0.00 -0.93 0.20 119.26 123.63 2qya h ALA 60 Ca 0.10 -0.42 -0.01 0.00 0.00 0.00 0.00 54.91 54.58 2qya h ALA 60 Cb 0.80 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 18.47 2qya h ALA 60 CO 0.07 0.64 0.07 0.28 0.00 0.00 0.00 179.25 180.30 2qya h VAL 61 N 0.51 1.13 -0.53 0.00 2.07 -1.12 -2.39 116.25 115.91 2qya h VAL 61 Ca 0.05 -0.38 -0.06 0.00 0.82 0.00 0.00 66.70 67.13 2qya h VAL 61 Cb 0.87 1.11 -0.02 0.00 -1.52 0.00 0.00 31.29 31.72 2qya h VAL 61 CO 0.07 0.12 0.09 -0.61 0.02 0.00 0.00 177.57 177.26 2qya h GLN 62 N 0.11 0.84 -0.97 1.57 4.15 -1.37 -2.83 115.11 116.60 2qya h GLN 62 Ca 0.05 -0.19 0.06 0.00 0.77 0.00 0.00 58.65 59.33 2qya h GLN 62 Cb 0.13 -0.12 -0.06 0.00 0.21 0.00 0.00 27.48 27.64 2qya h GLN 62 CO -0.01 0.79 0.63 1.49 -1.93 0.00 0.00 178.83 179.81 2qya h GLU 63 N 0.80 1.13 -0.34 1.69 4.81 -0.57 -3.19 114.58 118.91 2qya h GLU 63 Ca 0.17 -0.07 0.00 0.00 -0.13 0.00 0.00 59.36 59.33 2qya h GLU 63 Cb 0.36 -0.25 0.00 0.00 0.63 0.00 0.00 28.75 29.49 2qya h GLU 63 CO 0.01 0.74 0.00 0.66 -0.73 0.00 0.00 179.01 179.69 2qya n TYR 64 N -4.48 0.44 0.27 0.92 4.01 -0.93 -4.67 117.16 112.71 2qya n TYR 64 Ca 0.14 -0.33 0.18 0.00 -0.16 0.00 0.00 57.90 57.73 2qya n TYR 64 Cb 0.16 -0.01 0.93 0.00 -0.31 0.00 0.00 39.34 40.11 2qya n TYR 64 CO 0.00 0.00 0.00 1.05 -0.46 0.00 0.00 176.86 177.45 2qya h GLU 65 N 3.01 0.00 -0.18 -0.72 4.11 -1.49 -0.21 114.58 119.11 2qya h GLU 65 Ca 0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.43 2qya h GLU 65 Cb 0.78 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.03 2qya h GLU 65 CO 0.00 0.00 0.00 -0.25 0.07 0.00 0.00 179.01 178.83 2qya n ASP 66 N -3.57 2.38 0.00 3.06 8.00 -1.26 -0.35 116.55 124.82 2qya n ASP 66 Ca -0.01 -1.80 0.00 0.00 0.71 0.00 0.00 54.79 53.69 2qya n ASP 66 Cb 0.23 -0.12 0.00 0.00 -0.02 0.00 0.00 41.12 41.21 2qya n ASP 66 CO 0.00 0.00 0.00 -0.62 -0.39 0.00 0.00 177.20 176.19 2qya n GLU 67 N 0.31 1.51 -3.96 -1.24 1.02 -0.20 -4.86 120.64 113.22 2qya n GLU 67 Ca 0.07 0.00 -0.08 0.00 -0.02 0.00 0.00 57.16 57.13 2qya n GLU 67 Cb 0.33 -0.72 -0.09 0.00 -0.02 0.00 0.00 31.44 30.94 2qya n GLU 67 CO 0.00 0.00 0.00 0.15 1.18 0.00 0.00 177.13 178.46 2qya s LYS 68 N -1.43 0.70 0.08 3.49 -0.14 -0.53 -4.97 119.74 116.93 2qya s LYS 68 Ca 0.00 -1.00 -0.30 0.00 -1.36 0.00 0.00 55.97 53.30 2qya s LYS 68 Cb 0.00 0.27 -0.05 0.00 -1.68 0.00 0.00 37.83 36.36 2qya s LYS 68 CO 0.00 -0.18 1.08 0.99 -0.76 0.00 0.00 175.35 176.48 2qya s THR 69 N -3.59 4.29 -0.31 2.17 2.01 0.03 -3.80 115.64 116.45 2qya s THR 69 Ca 0.03 1.75 -0.08 0.00 0.31 0.00 0.00 61.69 63.70 2qya s THR 69 Cb 0.05 -4.12 0.00 0.00 0.01 0.00 0.00 72.50 68.44 2qya s THR 69 CO -0.09 0.19 0.12 -0.69 -0.69 0.00 0.00 174.62 173.46 2qya s VAL 70 N 0.59 4.29 -0.22 3.82 1.01 0.43 -0.42 120.40 129.89 2qya s VAL 70 Ca 0.53 -0.58 -0.09 0.00 0.00 0.00 0.00 61.98 61.85 2qya s VAL 70 Cb -0.26 -3.21 -0.04 0.00 0.00 0.00 0.00 36.38 32.86 2qya s VAL 70 CO 0.30 0.06 0.10 0.00 0.00 0.00 0.00 175.10 175.56 2qya s ALA 71 N 1.55 3.45 -0.12 5.51 0.00 0.34 0.06 121.76 132.55 2qya s ALA 71 Ca 0.03 -0.87 -0.00 0.00 0.00 0.00 0.00 51.96 51.12 2qya s ALA 71 Cb -0.17 -2.12 -0.02 0.00 0.00 0.00 0.00 23.12 20.81 2qya s ALA 71 CO 0.04 -0.09 -0.11 0.42 0.00 0.00 0.00 175.76 176.02 2qya s ILE 72 N 0.88 3.22 -0.10 0.00 1.01 0.33 -1.01 121.20 125.53 2qya s ILE 72 Ca 0.05 -0.61 0.00 0.00 0.00 0.00 0.00 60.65 60.09 2qya s ILE 72 Cb -0.13 -2.35 0.02 0.00 0.01 0.00 0.00 42.46 40.01 2qya s ILE 72 CO 0.03 0.53 -0.09 0.20 0.00 0.00 0.00 174.94 175.61 2qya s ASN 73 N 0.12 2.09 -0.07 3.58 0.02 -0.76 -0.66 114.94 119.25 2qya s ASN 73 Ca -0.05 -0.31 0.02 0.00 -1.02 0.00 0.00 52.86 51.50 2qya s ASN 73 Cb -0.15 -0.85 0.01 0.00 0.02 0.00 0.00 41.25 40.29 2qya s ASN 73 CO 0.04 -0.08 -0.14 0.00 0.02 0.00 0.00 177.10 176.95 2qya s ALA 74 N 1.45 1.40 -0.14 0.60 0.00 0.04 -0.77 121.76 124.34 2qya s ALA 74 Ca 0.00 -0.51 0.00 0.00 0.00 0.00 0.00 51.96 51.46 2qya s ALA 74 Cb -0.13 -0.63 0.02 0.00 0.00 0.00 0.00 23.12 22.38 2qya s ALA 74 CO -0.06 0.09 -0.14 -1.17 0.00 0.00 0.00 175.76 174.49 2qya s LEU 75 N 0.70 1.68 0.00 0.00 2.96 -0.69 -1.29 118.68 122.05 2qya s LEU 75 Ca -0.14 -0.48 0.00 0.00 -0.22 0.00 0.00 54.13 53.30 2qya s LEU 75 Cb -0.16 -1.17 0.00 0.00 0.50 0.00 0.00 46.19 45.36 2qya s LEU 75 CO 0.03 -0.05 0.00 0.61 -1.32 0.00 0.00 176.35 175.62 2qya n GLY 76 N 4.71 3.03 0.07 7.98 0.00 0.35 -1.75 105.19 119.58 2qya n GLY 76 Ca -0.17 -1.91 -0.13 0.00 0.00 0.00 0.00 46.02 43.81 2qya n GLY 76 CO 0.00 0.00 0.00 -2.09 0.00 0.00 0.00 173.32 171.23 2qya h GLU 77 N 0.00 -0.08 -0.27 1.61 4.81 -1.95 0.01 114.58 118.72 2qya h GLU 77 Ca 0.00 0.01 -0.02 0.00 -0.13 0.00 0.00 59.36 59.21 2qya h GLU 77 Cb 0.00 0.02 -0.01 0.00 0.63 0.00 0.00 28.75 29.39 2qya h GLU 77 CO 0.00 0.00 0.08 1.25 -0.73 0.00 0.00 179.01 179.62 2qya h LEU 78 N -0.14 0.39 -1.03 1.64 5.85 -1.98 -2.09 115.31 117.95 2qya h LEU 78 Ca -0.01 -0.20 0.05 0.00 0.84 0.00 0.00 57.88 58.56 2qya h LEU 78 Cb 0.12 -0.10 -0.06 0.00 0.37 0.00 0.00 40.66 40.98 2qya h LEU 78 CO 0.01 0.49 0.64 0.00 -0.34 0.00 0.00 178.44 179.24 2qya h ALA 79 N 0.92 1.39 -0.03 1.25 0.00 -1.77 -1.04 119.26 119.97 2qya h ALA 79 Ca 0.09 -0.03 -0.17 0.00 0.00 0.00 0.00 54.91 54.79 2qya h ALA 79 Cb 0.24 -0.33 -0.01 0.00 0.00 0.00 0.00 17.79 17.69 2qya h ALA 79 CO -0.00 0.49 -0.75 0.00 0.00 0.00 0.00 179.25 178.98 2qya h SER 81 N 0.14 0.08 -0.38 0.00 4.64 -0.90 -1.15 113.55 115.97 2qya h SER 81 Ca -0.03 -0.02 -0.02 0.00 -0.47 0.00 0.00 61.79 61.25 2qya h SER 81 Cb 1.32 -0.02 -0.02 0.00 -0.31 0.00 0.00 62.40 63.37 2qya h SER 81 CO 0.11 0.33 0.15 0.58 -0.87 0.00 0.00 176.83 177.14 2qya h VAL 82 N 0.07 1.19 -0.72 0.95 2.07 -0.97 0.11 116.25 118.96 2qya h VAL 82 Ca 0.01 -0.59 -0.03 0.00 0.82 0.00 0.00 66.70 66.91 2qya h VAL 82 Cb 0.48 0.87 -0.03 0.00 -1.52 0.00 0.00 31.29 31.09 2qya h VAL 82 CO 0.03 0.21 0.35 0.58 0.02 0.00 0.00 177.57 178.77 2qya h VAL 83 N 0.48 1.23 -0.20 2.57 2.07 -0.98 -0.87 116.25 120.54 2qya h VAL 83 Ca 0.13 -0.65 -0.01 0.00 0.82 0.00 0.00 66.70 66.98 2qya h VAL 83 Cb 0.19 0.34 -0.01 0.00 -1.52 0.00 0.00 31.29 30.29 2qya h VAL 83 CO -0.01 0.27 0.07 0.58 0.02 0.00 0.00 177.57 178.50 2qya h VAL 84 N 1.00 1.18 0.00 2.57 2.07 -1.15 -2.29 116.25 119.63 2qya h VAL 84 Ca 0.25 -0.56 -0.00 0.00 0.82 0.00 0.00 66.70 67.20 2qya h VAL 84 Cb 0.11 1.18 -0.00 0.00 -1.52 0.00 0.00 31.29 31.06 2qya h VAL 84 CO -0.03 0.18 -0.01 -0.78 0.02 0.00 0.00 177.57 176.94 2qya h ASP 85 N 0.16 0.00 0.72 0.57 3.58 -0.47 0.50 116.42 121.48 2qya h ASP 85 Ca 0.07 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.52 2qya h ASP 85 Cb 0.21 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.26 2qya h ASP 85 CO -0.00 0.01 0.00 0.00 -2.88 0.00 0.00 179.24 176.37 2qya n ALA 86 N -2.10 2.28 -1.02 -0.78 0.00 -0.36 -4.91 120.51 113.61 2qya n ALA 86 Ca 0.00 -0.11 0.00 0.00 0.00 0.00 0.00 53.44 53.33 2qya n ALA 86 Cb 0.30 -1.43 0.00 0.00 0.00 0.00 0.00 19.45 18.31 2qya n ALA 86 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2qya n GLY 87 N 1.13 0.44 0.08 0.00 0.00 0.17 -4.83 105.19 102.16 2qya n GLY 87 Ca 0.09 -0.99 0.01 0.00 0.00 0.00 0.00 46.02 45.13 2qya n GLY 87 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 2qya n LEU 88 N 0.00 0.43 -3.82 0.99 4.32 -0.88 -4.95 117.00 113.10 2qya n LEU 88 Ca 0.00 0.19 -0.12 0.00 -0.02 0.00 0.00 56.01 56.06 2qya n LEU 88 Cb 0.05 0.15 -0.09 0.00 -1.62 0.00 0.00 43.42 41.91 2qya n LEU 88 CO 0.00 0.17 -0.07 0.00 -1.22 0.00 0.00 177.39 176.27 2qya s ALA 89 N -3.00 -0.52 0.42 -1.18 0.00 -1.23 -5.00 121.76 111.23 2qya s ALA 89 Ca -0.06 0.00 -0.18 0.00 0.00 0.00 0.00 51.96 51.73 2qya s ALA 89 Cb 0.09 0.15 -0.10 0.00 0.00 0.00 0.00 23.12 23.27 2qya s ALA 89 CO 0.84 -0.28 0.90 1.03 0.00 0.00 0.00 175.76 178.25 2qya s ARG 90 N -1.73 4.09 0.32 0.00 0.52 -1.26 -4.25 118.95 116.64 2qya s ARG 90 Ca -0.11 0.94 0.07 0.00 -0.52 0.00 0.00 55.73 56.10 2qya s ARG 90 Cb -0.05 -2.24 0.75 0.00 0.52 0.00 0.00 34.95 33.93 2qya s ARG 90 CO 0.01 -0.03 1.80 0.93 0.02 0.00 0.00 175.30 178.02 2qya h GLU 91 N 1.75 0.74 0.00 3.54 5.08 -1.97 -0.81 114.58 122.90 2qya h GLU 91 Ca -0.48 -0.04 0.00 0.00 -1.00 0.00 0.00 59.36 57.83 2qya h GLU 91 Cb 1.18 -0.17 0.00 0.00 0.50 0.00 0.00 28.75 30.26 2qya h GLU 91 CO 0.62 0.49 0.00 -0.40 -1.00 0.00 0.00 179.01 178.72 2qya n ASP 92 N -4.70 0.00 0.08 1.42 5.68 -1.26 -2.90 116.55 114.87 2qya n ASP 92 Ca 0.22 0.22 0.12 0.00 -0.50 0.00 0.00 54.79 54.84 2qya n ASP 92 Cb 0.55 -0.39 0.09 0.00 -1.14 0.00 0.00 41.12 40.23 2qya n ASP 92 CO 0.00 0.00 0.00 -0.33 -1.33 0.00 0.00 177.20 175.54 2qya h GLU 93 N 0.00 0.00 -6.59 0.11 5.08 -1.53 -3.47 114.58 108.18 2qya h GLU 93 Ca 0.00 0.00 -0.53 0.00 -1.00 0.00 0.00 59.36 57.83 2qya h GLU 93 Cb 0.28 0.00 0.04 0.00 0.50 0.00 0.00 28.75 29.57 2qya h GLU 93 CO 0.00 0.00 0.86 0.42 -1.00 0.00 0.00 179.01 179.29 2qya s ILE 94 N -3.26 2.72 0.00 3.13 -1.09 -1.14 -4.99 121.20 116.57 2qya s ILE 94 Ca 0.03 0.51 0.00 0.00 -2.23 0.00 0.00 60.65 58.96 2qya s ILE 94 Cb 0.11 -3.33 0.00 0.00 -1.58 0.00 0.00 42.46 37.67 2qya s ILE 94 CO 0.76 0.04 0.00 0.61 -1.23 0.00 0.00 174.94 175.11 2qya n GLY 95 N 3.73 1.16 3.42 6.18 0.00 0.17 -4.89 105.19 114.96 2qya n GLY 95 Ca 0.14 -1.72 -0.14 0.00 0.00 0.00 0.00 46.02 44.30 2qya n GLY 95 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 2qya s GLU 96 N 1.77 1.09 -0.31 1.61 -1.05 -1.23 -2.14 118.70 118.43 2qya s GLU 96 Ca 0.00 -0.18 0.01 0.00 -0.15 0.00 0.00 54.97 54.64 2qya s GLU 96 Cb 0.00 0.50 0.14 0.00 -0.44 0.00 0.00 34.13 34.33 2qya s GLU 96 CO 0.00 -0.40 0.32 -1.17 0.95 0.00 0.00 175.26 174.96 2qya s LEU 97 N -1.97 -0.17 0.00 1.83 2.96 0.23 -4.71 118.68 116.85 2qya s LEU 97 Ca -0.05 -1.01 0.00 0.00 -0.22 0.00 0.00 54.13 52.85 2qya s LEU 97 Cb -0.01 0.51 0.00 0.00 0.50 0.00 0.00 46.19 47.20 2qya s LEU 97 CO -0.02 -0.35 0.00 0.61 -1.32 0.00 0.00 176.35 175.27 2qya n GLY 98 N 4.99 0.85 3.55 7.98 0.00 -1.26 -3.50 105.19 117.81 2qya n GLY 98 Ca 0.02 -0.63 0.00 0.00 0.00 0.00 0.00 46.02 45.41 2qya n GLY 98 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2qya n GLY 99 N -0.60 0.83 3.62 -0.02 0.00 -1.26 -4.82 105.19 102.94 2qya n GLY 99 Ca 0.00 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.68 2qya n GLY 99 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2qya s VAL 100 N -2.53 4.41 0.42 1.61 1.01 -1.23 -5.08 120.40 119.01 2qya s VAL 100 Ca 0.00 -0.19 -0.25 0.00 0.00 0.00 0.00 61.98 61.54 2qya s VAL 100 Cb 0.00 -2.93 -0.10 0.00 0.00 0.00 0.00 36.38 33.36 2qya s VAL 100 CO 0.00 0.53 1.23 -2.65 0.00 0.00 0.00 175.10 174.20 2qya n PRO 101 N 3.00 1.81 -3.75 2.72 -0.02 -1.26 0.77 135.00 138.27 2qya n PRO 101 Ca -0.18 0.65 -0.13 0.00 -2.02 0.00 0.00 63.50 61.82 2qya n PRO 101 Cb 0.53 -2.33 -0.11 0.00 -0.02 0.00 0.00 33.50 31.58 2qya n PRO 101 CO 0.00 0.00 0.00 -1.58 1.98 0.00 0.00 175.50 175.90 2qya s HIS 102 N -1.21 -0.40 -0.00 6.00 2.46 -0.91 -0.49 115.29 120.73 2qya s HIS 102 Ca 0.62 0.98 0.00 0.00 0.47 0.00 0.00 55.06 57.13 2qya s HIS 102 Cb -0.51 0.14 0.00 0.00 -0.13 0.00 0.00 32.58 32.08 2qya s HIS 102 CO 0.57 -0.20 -0.01 0.54 -2.47 0.00 0.00 174.74 173.18 2qya s VAL 103 N 0.24 0.10 -0.08 0.89 0.11 -0.41 0.44 120.40 121.68 2qya s VAL 103 Ca -0.00 -0.03 0.03 0.00 -2.93 0.00 0.00 61.98 59.04 2qya s VAL 103 Cb -0.03 -0.11 0.01 0.00 -1.53 0.00 0.00 36.38 34.72 2qya s VAL 103 CO 0.00 0.04 -0.17 -1.58 -3.33 0.00 0.00 175.10 170.06 2qya s GLN 104 N 0.09 2.26 0.01 1.54 0.74 -1.26 -0.78 119.66 122.26 2qya s GLN 104 Ca -0.01 -0.60 0.02 0.00 0.05 0.00 0.00 55.36 54.82 2qya s GLN 104 Cb -0.02 -1.78 -0.01 0.00 1.10 0.00 0.00 33.01 32.30 2qya s GLN 104 CO -0.00 0.08 -0.08 -1.64 -0.55 0.00 0.00 175.29 173.10 2qya s MET 105 N 0.56 0.59 -0.17 1.67 -1.94 0.16 -5.00 119.30 115.18 2qya s MET 105 Ca -0.16 -0.38 0.01 0.00 -1.71 0.00 0.00 55.69 53.46 2qya s MET 105 Cb -0.17 -0.54 0.01 0.00 2.01 0.00 0.00 34.83 36.15 2qya s MET 105 CO 0.05 0.14 -0.20 0.71 -0.01 0.00 0.00 175.02 175.72 2qya s TYR 106 N -0.43 2.75 -0.34 -0.03 2.02 -1.26 -0.51 117.35 119.55 2qya s TYR 106 Ca 0.00 -1.47 -0.01 0.00 -0.37 0.00 0.00 57.07 55.23 2qya s TYR 106 Cb -0.04 -1.89 0.08 0.00 -0.40 0.00 0.00 41.96 39.71 2qya s TYR 106 CO -0.00 -0.71 0.06 0.42 -1.57 0.00 0.00 175.55 173.76 2qya s ILE 107 N 1.10 2.88 0.53 2.71 1.01 0.11 -4.99 121.20 124.55 2qya s ILE 107 Ca 0.00 -1.79 -0.13 0.00 0.00 0.00 0.00 60.65 58.73 2qya s ILE 107 Cb -0.14 -2.84 -0.06 0.00 0.01 0.00 0.00 42.46 39.42 2qya s ILE 107 CO -0.08 -0.37 0.96 -0.76 0.00 0.00 0.00 174.94 174.69 2qya s LEU 108 N 1.14 3.52 0.84 2.97 1.02 -1.26 -0.43 118.68 126.47 2qya s LEU 108 Ca 0.02 1.42 -0.10 0.00 0.02 0.00 0.00 54.13 55.48 2qya s LEU 108 Cb -0.21 -4.39 0.10 0.00 0.02 0.00 0.00 46.19 41.71 2qya s LEU 108 CO -0.04 -0.66 1.12 -2.84 0.02 0.00 0.00 176.35 173.95 2qya s PRO 109 N -4.47 1.65 0.35 1.29 0.02 -1.25 -4.91 135.00 127.68 2qya s PRO 109 Ca 0.56 1.36 -0.28 0.00 0.02 0.00 0.00 61.00 62.66 2qya s PRO 109 Cb -0.10 -1.81 -0.10 0.00 0.02 0.00 0.00 34.50 32.50 2qya s PRO 109 CO 0.40 -2.13 1.33 1.03 -0.33 0.00 0.00 177.00 177.30 2qya s ARG 110 N -4.77 4.25 0.36 5.54 0.52 0.53 -4.98 118.95 120.41 2qya s ARG 110 Ca 0.64 2.25 -0.26 0.00 -0.52 0.00 0.00 55.73 57.84 2qya s ARG 110 Cb -0.20 -3.00 -0.12 0.00 0.52 0.00 0.00 34.95 32.15 2qya s ARG 110 CO 0.57 -0.29 1.03 0.39 0.02 0.00 0.00 175.30 177.02 2qya n GLU 111 N 0.63 1.42 -2.18 3.54 -0.58 -1.26 -4.86 120.64 117.35 2qya n GLU 111 Ca 0.01 0.50 -0.36 0.00 -0.42 0.00 0.00 57.16 56.90 2qya n GLU 111 Cb 0.42 -1.99 0.01 0.00 -0.57 0.00 0.00 31.44 29.31 2qya n GLU 111 CO 0.00 0.00 0.00 -2.14 -0.48 0.00 0.00 177.13 174.51 2qya s PRO 112 N -1.81 3.29 0.07 3.49 0.02 -1.26 -5.04 135.00 133.76 2qya s PRO 112 Ca 0.60 1.71 -0.10 0.00 0.02 0.00 0.00 61.00 63.23 2qya s PRO 112 Cb -0.61 -2.04 0.00 0.00 0.02 0.00 0.00 34.50 31.87 2qya s PRO 112 CO 0.59 -0.92 0.21 -0.59 -0.33 0.00 0.00 177.00 175.96 2qya s PHE 113 N -1.68 0.08 0.21 6.54 -0.71 -1.26 -5.17 117.98 115.99 2qya s PHE 113 Ca 0.73 -0.42 0.06 0.00 -1.04 0.00 0.00 56.93 56.26 2qya s PHE 113 Cb -0.27 -0.02 -0.04 0.00 -1.21 0.00 0.00 43.02 41.49 2qya s PHE 113 CO 0.30 -0.52 0.18 -0.51 -1.34 0.00 0.00 175.22 173.33 2qya s LEU 114 N -2.59 3.84 -0.00 -1.99 1.43 -1.26 -5.14 118.68 112.97 2qya s LEU 114 Ca 0.01 -0.18 0.06 0.00 -1.03 0.00 0.00 54.13 52.99 2qya s LEU 114 Cb 0.03 -2.41 -0.02 0.00 0.03 0.00 0.00 46.19 43.82 2qya s LEU 114 CO -0.09 0.01 -0.19 -1.61 0.23 0.00 0.00 176.35 174.70 2qya s GLU 115 N -3.53 1.50 0.00 1.70 2.02 -1.26 -5.33 118.70 113.79 2qya s GLU 115 Ca 0.32 -0.72 0.06 0.00 0.02 0.00 0.00 54.97 54.65 2qya s GLU 115 Cb -0.09 -1.47 0.34 0.00 0.10 0.00 0.00 34.13 33.00 2qya s GLU 115 CO 0.25 0.40 0.81 0.41 0.02 0.00 0.00 175.26 177.14