#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 1.82 -0.06 0.00 1.81 -1.26 -4.41 118.95 116.85 2qya s ARG 3 Ca 0.00 -1.01 0.04 0.00 -1.72 0.00 0.00 55.73 53.04 2qya s ARG 3 Cb 0.00 -1.90 -0.02 0.00 -0.45 0.00 0.00 34.95 32.58 2qya s ARG 3 CO 0.00 0.50 -0.18 0.08 -0.68 0.00 0.00 175.30 175.02 2qya s VAL 4 N -0.72 2.68 -0.17 3.52 1.01 -0.05 -1.39 120.40 125.27 2qya s VAL 4 Ca 0.10 -0.85 -0.29 0.00 0.00 0.00 0.00 61.98 60.94 2qya s VAL 4 Cb -0.10 -2.03 -0.00 0.00 0.00 0.00 0.00 36.38 34.25 2qya s VAL 4 CO 0.01 0.58 1.10 -0.76 0.00 0.00 0.00 175.10 176.03 2qya s LEU 5 N -0.45 4.17 -0.20 3.92 1.43 0.14 -1.32 118.68 126.36 2qya s LEU 5 Ca 0.05 1.53 -0.03 0.00 -1.03 0.00 0.00 54.13 54.65 2qya s LEU 5 Cb -0.12 -3.54 -0.01 0.00 0.03 0.00 0.00 46.19 42.55 2qya s LEU 5 CO 0.02 -0.64 -0.06 -0.22 0.23 0.00 0.00 176.35 175.68 2qya s LEU 6 N 2.92 2.89 -0.21 1.79 2.96 -0.24 -1.75 118.68 127.03 2qya s LEU 6 Ca 0.49 -0.37 -0.00 0.00 -0.22 0.00 0.00 54.13 54.02 2qya s LEU 6 Cb -0.18 -1.72 0.02 0.00 0.50 0.00 0.00 46.19 44.80 2qya s LEU 6 CO 0.12 0.02 -0.13 0.21 -1.32 0.00 0.00 176.35 175.25 2qya s ASN 7 N 1.25 3.72 -0.20 3.68 3.84 0.78 -1.37 114.94 126.64 2qya s ASN 7 Ca 0.03 -0.70 -0.02 0.00 0.21 0.00 0.00 52.86 52.38 2qya s ASN 7 Cb -0.14 -1.58 -0.00 0.00 -0.55 0.00 0.00 41.25 38.98 2qya s ASN 7 CO -0.02 -0.04 -0.09 -0.63 -2.79 0.00 0.00 177.10 173.53 2qya s ILE 8 N 1.32 3.07 -0.02 -5.21 1.01 -1.26 -0.60 121.20 119.51 2qya s ILE 8 Ca 0.03 -0.61 -0.00 0.00 0.00 0.00 0.00 60.65 60.07 2qya s ILE 8 Cb -0.15 -2.36 0.03 0.00 0.01 0.00 0.00 42.46 39.99 2qya s ILE 8 CO -0.09 0.46 0.04 -2.28 0.00 0.00 0.00 174.94 173.08 2qya s HIS 9 N 1.24 0.00 -0.16 3.97 2.46 -0.54 -5.00 115.29 117.26 2qya s HIS 9 Ca 0.03 0.15 -0.11 0.00 0.47 0.00 0.00 55.06 55.60 2qya s HIS 9 Cb -0.14 -0.18 -0.05 0.00 -0.13 0.00 0.00 32.58 32.08 2qya s HIS 9 CO -0.04 -0.08 0.20 0.20 -2.47 0.00 0.00 174.74 172.55 2qya s GLY 10 N 0.90 2.14 -0.17 1.59 0.00 -1.26 -0.65 107.32 109.87 2qya s GLY 10 Ca -0.07 -0.58 -0.05 0.00 0.00 0.00 0.00 44.72 44.02 2qya s GLY 10 CO -0.03 0.13 0.08 -1.59 0.00 0.00 0.00 173.10 171.70 2qya s THR 11 N 0.06 -0.01 0.00 0.90 2.01 0.03 -5.01 115.64 113.62 2qya s THR 11 Ca 0.13 -0.19 0.00 0.00 0.31 0.00 0.00 61.69 61.94 2qya s THR 11 Cb -0.12 -0.61 0.00 0.00 0.01 0.00 0.00 72.50 71.78 2qya s THR 11 CO 0.02 -0.25 0.00 0.61 -0.69 0.00 0.00 174.62 174.30 2qya n GLY 12 N 5.25 3.77 0.00 4.40 0.00 -1.26 -2.06 105.19 115.30 2qya n GLY 12 Ca -0.07 0.18 0.14 0.00 0.00 0.00 0.00 46.02 46.27 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 9.55 0.03 -4.25 1.61 10.43 -1.26 -4.94 116.55 127.72 2qya n ASP 13 Ca 0.00 0.43 -0.29 0.00 2.57 0.00 0.00 54.79 57.49 2qya n ASP 13 Cb 0.00 -0.44 -0.16 0.00 1.84 0.00 0.00 41.12 42.36 2qya n ASP 13 CO 0.00 0.00 0.00 -0.89 -1.07 0.00 0.00 177.20 175.24 2qya s THR 14 N -2.98 1.84 -0.16 -3.53 2.01 -0.87 -1.15 115.64 110.79 2qya s THR 14 Ca 0.14 -0.98 0.00 0.00 0.31 0.00 0.00 61.69 61.16 2qya s THR 14 Cb 0.19 -1.53 0.00 0.00 0.01 0.00 0.00 72.50 71.17 2qya s THR 14 CO 0.54 0.52 -0.16 -0.69 -0.69 0.00 0.00 174.62 174.14 2qya s VAL 15 N -0.45 2.55 -0.23 3.82 1.01 0.58 -0.79 120.40 126.90 2qya s VAL 15 Ca 0.06 -0.81 -0.08 0.00 0.00 0.00 0.00 61.98 61.16 2qya s VAL 15 Cb -0.10 -2.07 -0.04 0.00 0.00 0.00 0.00 36.38 34.17 2qya s VAL 15 CO 0.00 0.52 0.08 -0.69 0.00 0.00 0.00 175.10 175.01 2qya s VAL 16 N 0.89 4.57 -0.37 2.92 1.01 0.18 -1.10 120.40 128.50 2qya s VAL 16 Ca -0.04 -0.10 -0.09 0.00 0.00 0.00 0.00 61.98 61.76 2qya s VAL 16 Cb -0.15 -3.11 0.04 0.00 0.00 0.00 0.00 36.38 33.16 2qya s VAL 16 CO -0.02 0.37 0.18 -0.76 0.00 0.00 0.00 175.10 174.87 2qya s LEU 17 N 1.18 4.64 -0.08 3.92 1.43 0.13 -1.46 118.68 128.44 2qya s LEU 17 Ca 0.05 -1.15 0.03 0.00 -1.03 0.00 0.00 54.13 52.03 2qya s LEU 17 Cb -0.14 -1.96 -0.02 0.00 0.03 0.00 0.00 46.19 44.10 2qya s LEU 17 CO 0.04 -0.39 -0.16 0.00 0.23 0.00 0.00 176.35 176.06 2qya s ALA 18 N 1.47 2.54 0.02 4.21 0.00 0.23 -0.84 121.76 129.38 2qya s ALA 18 Ca 0.01 -0.96 0.03 0.00 0.00 0.00 0.00 51.96 51.03 2qya s ALA 18 Cb -0.20 -0.99 -0.01 0.00 0.00 0.00 0.00 23.12 21.92 2qya s ALA 18 CO 0.04 0.42 -0.10 -0.51 0.00 0.00 0.00 175.76 175.62 2qya s LEU 19 N -0.25 2.10 -0.17 0.00 1.43 -0.33 -0.16 118.68 121.31 2qya s LEU 19 Ca 0.01 -0.31 -0.11 0.00 -1.03 0.00 0.00 54.13 52.69 2qya s LEU 19 Cb -0.13 -0.42 0.06 0.00 0.03 0.00 0.00 46.19 45.73 2qya s LEU 19 CO 0.03 0.02 0.42 0.00 0.23 0.00 0.00 176.35 177.05 2qya n ASP 21 N 3.98 2.53 -0.25 0.00 9.92 -0.79 0.23 116.55 132.18 2qya n ASP 21 Ca -0.21 1.09 0.03 0.00 -0.53 0.00 0.00 54.79 55.16 2qya n ASP 21 Cb 0.56 -1.32 0.25 0.00 -0.64 0.00 0.00 41.12 39.97 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 5.72 0.97 0.00 -1.24 4.81 -1.57 -1.63 114.58 121.64 2qya h GLU 22 Ca -0.46 -0.06 0.00 0.00 -0.13 0.00 0.00 59.36 58.71 2qya h GLU 22 Cb 1.29 -0.22 0.00 0.00 0.63 0.00 0.00 28.75 30.45 2qya h GLU 22 CO 0.85 0.64 0.00 -0.40 -0.73 0.00 0.00 179.01 179.38 2qya n ASP 23 N -4.45 0.40 0.09 1.04 5.68 -1.26 -2.60 116.55 115.45 2qya n ASP 23 Ca 0.11 0.65 0.12 0.00 -0.50 0.00 0.00 54.79 55.17 2qya n ASP 23 Cb 0.12 -0.72 0.13 0.00 -1.14 0.00 0.00 41.12 39.51 2qya n ASP 23 CO 0.00 0.00 0.00 -0.07 -1.33 0.00 0.00 177.20 175.80 2qya h LEU 24 N 0.00 0.00 -9.73 -2.12 4.07 -1.66 -3.48 115.31 102.38 2qya h LEU 24 Ca 0.00 -0.11 -0.52 0.00 0.08 0.00 0.00 57.88 57.33 2qya h LEU 24 Cb 0.11 0.00 0.05 0.00 1.08 0.00 0.00 40.66 41.90 2qya h LEU 24 CO 0.00 0.06 0.72 -0.22 -1.08 0.00 0.00 178.44 177.91 2qya s LEU 25 N -4.82 4.40 0.00 1.67 2.96 -1.07 -2.08 118.68 119.74 2qya s LEU 25 Ca 0.04 2.58 0.00 0.00 -0.22 0.00 0.00 54.13 56.54 2qya s LEU 25 Cb 0.11 -3.62 0.00 0.00 0.50 0.00 0.00 46.19 43.18 2qya s LEU 25 CO 0.73 -0.63 0.00 0.61 -1.32 0.00 0.00 176.35 175.74 2qya n GLY 26 N 2.15 3.19 3.76 7.98 0.00 0.14 -5.03 105.19 117.38 2qya n GLY 26 Ca 0.06 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.73 2qya n GLY 26 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2qya s VAL 27 N -1.98 2.91 -0.44 1.61 1.01 -0.88 -4.65 120.40 117.98 2qya s VAL 27 Ca 0.00 0.56 -0.14 0.00 0.00 0.00 0.00 61.98 62.40 2qya s VAL 27 Cb 0.00 -3.22 0.05 0.00 0.00 0.00 0.00 36.38 33.21 2qya s VAL 27 CO 0.00 -0.13 0.33 -1.61 0.00 0.00 0.00 175.10 173.70 2qya s GLU 28 N -3.33 2.93 -0.17 2.72 2.02 -1.26 -2.18 118.70 119.44 2qya s GLU 28 Ca 0.75 -1.20 -0.08 0.00 0.02 0.00 0.00 54.97 54.45 2qya s GLU 28 Cb -0.27 -4.01 -0.04 0.00 0.10 0.00 0.00 34.13 29.91 2qya s GLU 28 CO 0.30 -0.88 0.10 -0.51 0.02 0.00 0.00 175.26 174.29 2qya s LEU 29 N 1.63 4.08 -0.04 1.80 1.43 -0.63 -4.98 118.68 121.98 2qya s LEU 29 Ca 0.04 0.23 -0.00 0.00 -1.03 0.00 0.00 54.13 53.37 2qya s LEU 29 Cb -0.22 -2.03 0.03 0.00 0.03 0.00 0.00 46.19 44.00 2qya s LEU 29 CO 0.08 0.24 0.01 -0.54 0.23 0.00 0.00 176.35 176.37 2qya s LYS 30 N -0.02 0.27 -0.29 1.70 1.02 -1.26 -0.07 119.74 121.09 2qya s LYS 30 Ca 0.08 0.15 -0.15 0.00 0.02 0.00 0.00 55.97 56.07 2qya s LYS 30 Cb -0.12 -0.58 0.15 0.00 -0.52 0.00 0.00 37.83 36.76 2qya s LYS 30 CO 0.00 -0.21 0.94 -0.47 -0.92 0.00 0.00 175.35 174.70 2qya s TYR 31 N 1.45 -0.67 -1.44 3.18 6.14 -1.11 -4.83 117.35 120.06 2qya s TYR 31 Ca -0.04 1.27 -0.01 0.00 0.64 0.00 0.00 57.07 58.94 2qya s TYR 31 Cb -0.13 0.40 0.01 0.00 0.42 0.00 0.00 41.96 42.66 2qya s TYR 31 CO -0.03 -0.33 0.36 1.63 0.64 0.00 0.00 175.55 177.82 2qya n LYS 32 N 4.21 -2.87 -0.88 4.97 5.02 -1.26 -2.88 118.16 124.47 2qya n LYS 32 Ca -0.15 0.35 0.00 0.00 -2.02 0.00 0.00 58.31 56.48 2qya n LYS 32 Cb 0.56 -4.39 0.00 0.00 -0.02 0.00 0.00 35.03 31.18 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 -2.06 0.81 3.32 0.72 0.00 -1.26 -5.03 105.19 101.68 2qya n GLY 33 Ca -0.30 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.40 2qya n GLY 33 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 2qya s ARG 34 N -0.12 3.22 -0.25 1.61 3.03 -1.14 -5.10 118.95 120.20 2qya s ARG 34 Ca 0.00 -0.76 -0.15 0.00 2.03 0.00 0.00 55.73 56.85 2qya s ARG 34 Cb 0.00 -2.49 -0.04 0.00 -1.03 0.00 0.00 34.95 31.39 2qya s ARG 34 CO 0.00 0.22 0.36 0.99 -1.13 0.00 0.00 175.30 175.74 2qya s THR 35 N 0.30 5.20 -0.10 4.99 2.01 -1.26 -2.77 115.64 124.02 2qya s THR 35 Ca -0.13 0.57 0.01 0.00 0.31 0.00 0.00 61.69 62.45 2qya s THR 35 Cb -0.16 -3.69 -0.02 0.00 0.01 0.00 0.00 72.50 68.64 2qya s THR 35 CO 0.07 0.20 -0.11 -0.22 -0.69 0.00 0.00 174.62 173.87 2qya s LEU 36 N 1.75 2.88 -0.40 4.42 2.96 0.90 -5.00 118.68 126.19 2qya s LEU 36 Ca 0.15 -0.20 -0.07 0.00 -0.22 0.00 0.00 54.13 53.79 2qya s LEU 36 Cb -0.15 -1.63 0.08 0.00 0.50 0.00 0.00 46.19 44.98 2qya s LEU 36 CO 0.09 0.26 0.21 -1.00 -1.32 0.00 0.00 176.35 174.59 2qya s HIS 37 N -0.23 3.36 -1.18 5.38 3.76 -1.26 -1.60 115.29 123.52 2qya s HIS 37 Ca 0.02 -1.69 -0.08 0.00 -0.15 0.00 0.00 55.06 53.16 2qya s HIS 37 Cb -0.13 -2.86 -0.07 0.00 1.11 0.00 0.00 32.58 30.64 2qya s HIS 37 CO 0.03 -0.85 2.42 -0.89 -0.85 0.00 0.00 174.74 174.60 2qya n ILE 38 N 4.83 3.13 -2.25 0.60 2.08 -0.92 -4.92 119.36 121.90 2qya n ILE 38 Ca -0.09 -1.90 -0.36 0.00 0.56 0.00 0.00 62.75 60.96 2qya n ILE 38 Cb 0.43 -2.32 -0.00 0.00 -0.75 0.00 0.00 39.64 36.99 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 2.99 5.96 0.06 4.38 1.04 -1.26 0.26 113.70 127.13 2qya s SER 39 Ca 0.51 2.25 0.26 0.00 0.48 0.00 0.00 55.95 59.46 2qya s SER 39 Cb 0.13 -2.59 0.69 0.00 0.10 0.00 0.00 66.02 64.35 2qya s SER 39 CO -0.04 -1.06 1.57 -1.84 0.98 0.00 0.00 173.24 172.85 2qya n GLU 40 N -0.85 0.11 -0.18 4.02 0.28 -1.26 -0.82 120.64 121.94 2qya n GLU 40 Ca 0.09 0.05 -0.07 0.00 -0.16 0.00 0.00 57.16 57.07 2qya n GLU 40 Cb 0.49 -1.59 0.02 0.00 1.43 0.00 0.00 31.44 31.80 2qya n GLU 40 CO 0.00 0.00 0.00 -1.35 -0.16 0.00 0.00 177.13 175.62 2qya h PRO 41 N 0.00 0.72 0.24 3.44 0.11 -1.96 -0.75 132.00 133.79 2qya h PRO 41 Ca 0.00 -0.06 -0.33 0.00 0.11 0.00 0.00 66.00 65.72 2qya h PRO 41 Cb 0.59 -0.15 0.03 0.00 0.11 0.00 0.00 31.00 31.58 2qya h PRO 41 CO 0.00 0.51 -1.47 0.74 -0.21 0.00 0.00 178.00 177.57 2qya h PHE 42 N 0.72 0.91 -0.02 0.65 0.04 -1.95 -3.38 116.94 113.91 2qya h PHE 42 Ca 0.19 -0.67 0.00 0.00 2.80 0.00 0.00 57.97 60.30 2qya h PHE 42 Cb -0.03 -0.04 0.00 0.00 2.20 0.00 0.00 35.95 38.08 2qya h PHE 42 CO -0.03 1.53 -0.28 0.66 -0.60 0.00 0.00 178.31 179.59 2qya n TYR 43 N -3.69 0.00 -0.66 -0.55 4.01 0.00 -4.98 117.16 111.30 2qya n TYR 43 Ca -0.16 0.00 -0.32 0.00 -0.16 0.00 0.00 57.90 57.26 2qya n TYR 43 Cb 1.10 0.00 0.18 0.00 -0.31 0.00 0.00 39.34 40.30 2qya n TYR 43 CO 0.00 0.00 0.00 -1.13 -0.46 0.00 0.00 176.86 175.27 2qya n SER 44 N 0.34 -1.95 0.00 7.72 3.41 -0.29 -4.80 113.62 118.05 2qya n SER 44 Ca 0.09 0.03 0.00 0.00 -0.26 0.00 0.00 58.87 58.73 2qya n SER 44 Cb 0.45 -1.12 0.00 0.00 -0.26 0.00 0.00 64.21 63.28 2qya n SER 44 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2qya n GLY 45 N 1.54 1.32 3.69 5.00 0.00 -1.26 -4.45 105.19 111.02 2qya n GLY 45 Ca 0.04 -0.93 -0.42 0.00 0.00 0.00 0.00 46.02 44.70 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 -2.00 4.39 -0.08 1.61 2.20 -0.47 -4.67 119.74 120.72 2qya s LYS 46 Ca 0.00 1.57 -0.30 0.00 -0.36 0.00 0.00 55.97 56.88 2qya s LYS 46 Cb 0.00 -3.53 -0.02 0.00 -1.51 0.00 0.00 37.83 32.76 2qya s LYS 46 CO 0.00 -0.37 1.15 0.45 -0.36 0.00 0.00 175.35 176.22 2qya s SER 47 N 1.29 7.09 0.14 1.43 0.15 -1.26 -1.08 113.70 121.47 2qya s SER 47 Ca 0.53 1.72 -0.08 0.00 0.70 0.00 0.00 55.95 58.82 2qya s SER 47 Cb -0.23 -2.56 -0.01 0.00 -1.71 0.00 0.00 66.02 61.52 2qya s SER 47 CO 0.21 -0.57 0.24 0.00 1.20 0.00 0.00 173.24 174.33 2qya s MET 48 N 2.29 1.05 0.32 5.44 0.00 -0.44 -4.97 119.30 122.99 2qya s MET 48 Ca 0.53 -1.13 -0.28 0.00 0.00 0.00 0.00 55.69 54.81 2qya s MET 48 Cb -0.22 0.36 -0.09 0.00 0.00 0.00 0.00 34.83 34.87 2qya s MET 48 CO 0.20 -0.37 1.13 -1.21 0.00 0.00 0.00 175.02 174.77 2qya s GLU 49 N -3.94 4.45 0.26 3.16 2.02 -1.26 -0.87 118.70 122.51 2qya s GLU 49 Ca 0.14 1.83 -0.02 0.00 0.02 0.00 0.00 54.97 56.94 2qya s GLU 49 Cb 0.04 -3.01 0.52 0.00 0.10 0.00 0.00 34.13 31.79 2qya s GLU 49 CO -0.03 0.03 1.74 -1.35 0.02 0.00 0.00 175.26 175.67 2qya h PRO 50 N 3.40 0.52 -0.84 0.39 0.11 -1.93 -0.21 132.00 133.43 2qya h PRO 50 Ca -0.48 -0.03 0.10 0.00 0.11 0.00 0.00 66.00 65.71 2qya h PRO 50 Cb 1.22 -0.12 -0.08 0.00 0.11 0.00 0.00 31.00 32.13 2qya h PRO 50 CO 0.65 0.34 0.48 0.22 -0.21 0.00 0.00 178.00 179.48 2qya h ASP 51 N 0.53 0.67 0.26 -2.05 3.58 -1.96 0.82 116.42 118.28 2qya h ASP 51 Ca 0.45 0.05 -0.20 0.00 0.42 0.00 0.00 57.03 57.76 2qya h ASP 51 Cb 0.68 -0.07 -0.00 0.00 1.72 0.00 0.00 39.33 41.66 2qya h ASP 51 CO -0.39 0.37 -0.80 -0.09 -2.88 0.00 0.00 179.24 175.44 2qya h ARG 52 N 0.78 0.43 -0.26 0.28 2.43 -1.45 -3.08 114.38 113.51 2qya h ARG 52 Ca 0.41 -0.39 -0.01 0.00 -0.81 0.00 0.00 59.98 59.19 2qya h ARG 52 Cb 0.41 0.09 -0.01 0.00 -0.42 0.00 0.00 29.97 30.04 2qya h ARG 52 CO -0.26 1.03 0.12 0.00 -1.51 0.00 0.00 179.97 179.35 2qya h ALA 53 N 0.85 0.34 -0.80 2.80 0.00 -0.50 -1.39 119.26 120.56 2qya h ALA 53 Ca -0.05 -0.10 0.09 0.00 0.00 0.00 0.00 54.91 54.85 2qya h ALA 53 Cb 1.40 -0.10 -0.07 0.00 0.00 0.00 0.00 17.79 19.02 2qya h ALA 53 CO 0.14 -0.10 0.45 0.00 0.00 0.00 0.00 179.25 179.74 2qya h ALA 54 N 0.98 1.12 -0.30 0.00 0.00 -0.91 -0.04 119.26 120.11 2qya h ALA 54 Ca 0.09 0.03 -0.11 0.00 0.00 0.00 0.00 54.91 54.92 2qya h ALA 54 Cb 0.13 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 17.79 2qya h ALA 54 CO -0.01 0.08 -0.26 -0.22 0.00 0.00 0.00 179.25 178.84 2qya h LYS 55 N 0.76 0.70 -0.79 0.00 3.64 -1.40 -0.75 116.57 118.74 2qya h LYS 55 Ca 0.38 -0.36 0.02 0.00 -1.27 0.00 0.00 60.65 59.42 2qya h LYS 55 Cb 0.33 0.01 -0.04 0.00 -0.41 0.00 0.00 32.23 32.12 2qya h LYS 55 CO -0.24 0.97 0.52 0.87 -2.27 0.00 0.00 179.45 179.30 2qya h LYS 56 N 0.45 1.01 0.03 1.90 6.56 -0.97 -1.50 116.57 124.06 2qya h LYS 56 Ca 0.05 -0.06 -0.00 0.00 -1.06 0.00 0.00 60.65 59.58 2qya h LYS 56 Cb 0.82 -0.23 0.00 0.00 -0.57 0.00 0.00 32.23 32.25 2qya h LYS 56 CO 0.07 0.67 -0.02 0.82 -2.06 0.00 0.00 179.45 178.93 2qya h ILE 57 N 1.04 1.21 -0.49 1.86 1.08 -0.84 -1.85 117.51 119.52 2qya h ILE 57 Ca 0.30 -0.77 0.10 0.00 -0.39 0.00 0.00 64.86 64.09 2qya h ILE 57 Cb -0.07 1.73 -0.09 0.00 -3.07 0.00 0.00 36.82 35.32 2qya h ILE 57 CO -0.07 0.20 -0.09 0.03 -0.69 0.00 0.00 178.15 177.52 2qya h ARG 58 N -0.38 0.03 -0.41 2.37 3.08 -1.06 -2.17 114.38 115.83 2qya h ARG 58 Ca -0.00 -0.00 -0.07 0.00 0.07 0.00 0.00 59.98 59.97 2qya h ARG 58 Cb 0.36 -0.01 -0.02 0.00 0.08 0.00 0.00 29.97 30.38 2qya h ARG 58 CO 0.01 0.02 -0.05 0.93 -1.07 0.00 0.00 179.97 179.81 2qya h GLU 59 N 0.03 0.68 -0.22 0.04 5.08 -1.22 -1.51 114.58 117.46 2qya h GLU 59 Ca 0.24 -0.19 -0.11 0.00 -1.00 0.00 0.00 59.36 58.30 2qya h GLU 59 Cb 0.36 -0.08 -0.00 0.00 0.50 0.00 0.00 28.75 29.54 2qya h GLU 59 CO -0.48 0.73 -0.29 0.00 -1.00 0.00 0.00 179.01 177.97 2qya h ALA 60 N 1.31 0.33 0.25 3.43 0.00 -1.08 -2.10 119.26 121.40 2qya h ALA 60 Ca 0.12 -0.40 0.01 0.00 0.00 0.00 0.00 54.91 54.63 2qya h ALA 60 Cb 0.47 -0.06 -0.03 0.00 0.00 0.00 0.00 17.79 18.17 2qya h ALA 60 CO 0.02 0.34 -0.30 0.28 0.00 0.00 0.00 179.25 179.59 2qya h VAL 61 N 0.27 0.36 -0.89 0.00 2.07 -1.30 0.43 116.25 117.19 2qya h VAL 61 Ca 0.02 0.00 0.19 0.00 0.82 0.00 0.00 66.70 67.73 2qya h VAL 61 Cb 0.87 0.36 -0.11 0.00 -1.52 0.00 0.00 31.29 30.88 2qya h VAL 61 CO 0.07 0.00 0.43 1.56 0.02 0.00 0.00 177.57 179.65 2qya h GLN 62 N -0.61 0.50 0.00 1.57 1.08 -1.27 -0.09 115.11 116.29 2qya h GLN 62 Ca -0.00 -0.03 -0.03 0.00 -1.45 0.00 0.00 58.65 57.14 2qya h GLN 62 Cb 0.58 -0.11 -0.01 0.00 -0.05 0.00 0.00 27.48 27.89 2qya h GLN 62 CO -0.10 0.33 -0.87 1.05 -0.95 0.00 0.00 178.83 178.30 2qya h GLU 63 N 0.52 0.00 0.00 1.46 4.11 -1.03 -3.37 114.58 116.26 2qya h GLU 63 Ca 0.53 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.96 2qya h GLU 63 Cb 0.90 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.15 2qya h GLU 63 CO -0.45 0.07 -1.26 0.66 0.07 0.00 0.00 179.01 178.10 2qya n TYR 64 N -2.81 0.00 -0.01 2.06 4.01 0.11 -4.52 117.16 115.99 2qya n TYR 64 Ca -0.01 0.00 0.11 0.00 -0.16 0.00 0.00 57.90 57.84 2qya n TYR 64 Cb 0.60 -0.19 0.52 0.00 -0.31 0.00 0.00 39.34 39.96 2qya n TYR 64 CO 0.00 0.00 0.00 1.49 -0.46 0.00 0.00 176.86 177.89 2qya h GLU 65 N 0.00 0.33 0.55 -0.72 4.81 -1.19 0.26 114.58 118.63 2qya h GLU 65 Ca 0.00 -0.02 -0.03 0.00 -0.13 0.00 0.00 59.36 59.18 2qya h GLU 65 Cb 0.56 -0.07 0.01 0.00 0.63 0.00 0.00 28.75 29.87 2qya h GLU 65 CO 0.00 0.22 -0.26 -0.44 -0.73 0.00 0.00 179.01 177.79 2qya h ASP 66 N 0.34 -0.62 0.35 1.04 3.32 -1.81 -3.38 116.42 115.66 2qya h ASP 66 Ca 0.21 -0.04 0.00 0.00 0.02 0.00 0.00 57.03 57.22 2qya h ASP 66 Cb 0.40 0.16 0.00 0.00 0.22 0.00 0.00 39.33 40.12 2qya h ASP 66 CO -0.05 -0.32 -1.23 -0.62 -1.72 0.00 0.00 179.24 175.30 2qya n GLU 67 N -5.34 0.37 -4.20 3.56 1.02 -0.93 -4.96 120.64 110.15 2qya n GLU 67 Ca -0.12 -0.03 -0.12 0.00 -0.02 0.00 0.00 57.16 56.87 2qya n GLU 67 Cb 0.33 -1.59 -0.10 0.00 -0.02 0.00 0.00 31.44 30.06 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 -3.26 0.92 0.02 3.49 -0.14 0.88 -4.97 119.74 116.68 2qya s LYS 68 Ca 0.01 -1.38 -0.30 0.00 -1.36 0.00 0.00 55.97 52.94 2qya s LYS 68 Cb 0.14 -0.35 -0.04 0.00 -1.68 0.00 0.00 37.83 35.90 2qya s LYS 68 CO 0.83 0.01 1.01 0.99 -0.76 0.00 0.00 175.35 177.43 2qya s THR 69 N -3.52 4.74 -0.19 2.17 2.01 -0.30 -4.48 115.64 116.06 2qya s THR 69 Ca 0.14 1.99 -0.04 0.00 0.31 0.00 0.00 61.69 64.08 2qya s THR 69 Cb 0.04 -4.27 -0.02 0.00 0.01 0.00 0.00 72.50 68.26 2qya s THR 69 CO -0.03 0.16 -0.02 -0.69 -0.69 0.00 0.00 174.62 173.35 2qya s VAL 70 N 0.95 3.76 -0.20 3.82 1.01 -0.95 -0.31 120.40 128.49 2qya s VAL 70 Ca 0.52 -0.38 -0.06 0.00 0.00 0.00 0.00 61.98 62.06 2qya s VAL 70 Cb -0.22 -2.69 -0.03 0.00 0.00 0.00 0.00 36.38 33.44 2qya s VAL 70 CO 0.28 0.44 0.03 0.00 0.00 0.00 0.00 175.10 175.86 2qya s ALA 71 N 0.98 3.19 -0.21 5.51 0.00 -0.26 0.61 121.76 131.58 2qya s ALA 71 Ca 0.01 -0.90 -0.05 0.00 0.00 0.00 0.00 51.96 51.02 2qya s ALA 71 Cb -0.14 -1.86 -0.02 0.00 0.00 0.00 0.00 23.12 21.10 2qya s ALA 71 CO 0.01 -0.04 -0.01 0.42 0.00 0.00 0.00 175.76 176.14 2qya s ILE 72 N 0.80 3.76 -0.08 0.00 -1.09 0.13 -0.70 121.20 124.03 2qya s ILE 72 Ca 0.02 -0.37 0.03 0.00 -2.23 0.00 0.00 60.65 58.10 2qya s ILE 72 Cb -0.14 -2.71 0.01 0.00 -1.58 0.00 0.00 42.46 38.04 2qya s ILE 72 CO 0.02 0.42 -0.18 0.20 -1.23 0.00 0.00 174.94 174.17 2qya s ASN 73 N 1.24 2.37 -0.03 3.58 0.02 -0.02 -0.16 114.94 121.93 2qya s ASN 73 Ca 0.03 -0.42 -0.01 0.00 -1.02 0.00 0.00 52.86 51.45 2qya s ASN 73 Cb -0.15 -1.06 0.03 0.00 0.02 0.00 0.00 41.25 40.10 2qya s ASN 73 CO 0.00 0.10 0.06 0.00 0.02 0.00 0.00 177.10 177.28 2qya s ALA 74 N 0.48 0.01 -0.15 0.60 0.00 0.33 -1.18 121.76 121.84 2qya s ALA 74 Ca -0.16 0.39 0.00 0.00 0.00 0.00 0.00 51.96 52.20 2qya s ALA 74 Cb -0.16 -0.35 0.03 0.00 0.00 0.00 0.00 23.12 22.64 2qya s ALA 74 CO 0.06 -0.17 -0.11 -1.17 0.00 0.00 0.00 175.76 174.37 2qya s LEU 75 N 1.24 1.68 0.00 0.00 2.96 -0.22 -0.59 118.68 123.74 2qya s LEU 75 Ca -0.07 -0.55 0.00 0.00 -0.22 0.00 0.00 54.13 53.29 2qya s LEU 75 Cb -0.13 -1.08 0.00 0.00 0.50 0.00 0.00 46.19 45.49 2qya s LEU 75 CO -0.04 -0.11 0.00 0.61 -1.32 0.00 0.00 176.35 175.50 2qya n GLY 76 N 4.81 3.05 0.25 7.98 0.00 0.56 -1.88 105.19 119.96 2qya n GLY 76 Ca -0.15 -1.91 -0.05 0.00 0.00 0.00 0.00 46.02 43.91 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 0.78 0.00 1.61 4.81 -1.95 0.26 114.58 120.09 2qya h GLU 77 Ca 0.00 -0.05 -0.12 0.00 -0.13 0.00 0.00 59.36 59.06 2qya h GLU 77 Cb 0.00 -0.18 0.01 0.00 0.63 0.00 0.00 28.75 29.21 2qya h GLU 77 CO 0.00 0.52 -0.49 1.25 -0.73 0.00 0.00 179.01 179.56 2qya h LEU 78 N 0.80 0.43 -0.67 1.64 5.85 -1.97 -1.53 115.31 119.86 2qya h LEU 78 Ca 0.24 -0.77 0.12 0.00 0.84 0.00 0.00 57.88 58.31 2qya h LEU 78 Cb -0.04 -0.13 -0.09 0.00 0.37 0.00 0.00 40.66 40.77 2qya h LEU 78 CO -0.07 1.14 0.23 0.00 -0.34 0.00 0.00 178.44 179.40 2qya h ALA 79 N 0.29 0.88 -0.04 1.25 0.00 -1.74 -0.57 119.26 119.33 2qya h ALA 79 Ca -0.06 0.11 -0.14 0.00 0.00 0.00 0.00 54.91 54.83 2qya h ALA 79 Cb 1.22 0.11 -0.01 0.00 0.00 0.00 0.00 17.79 19.11 2qya h ALA 79 CO 0.10 -0.24 -0.59 0.00 0.00 0.00 0.00 179.25 178.52 2qya h SER 81 N 0.10 0.27 -0.60 0.00 4.64 -0.60 -2.22 113.55 115.15 2qya h SER 81 Ca -0.01 -0.07 -0.04 0.00 -0.47 0.00 0.00 61.79 61.21 2qya h SER 81 Cb 1.07 -0.07 -0.03 0.00 -0.31 0.00 0.00 62.40 63.06 2qya h SER 81 CO 0.09 0.46 0.20 0.58 -0.87 0.00 0.00 176.83 177.29 2qya h VAL 82 N 0.27 1.24 -0.52 0.95 2.07 -0.67 -0.23 116.25 119.36 2qya h VAL 82 Ca 0.05 -0.80 0.01 0.00 0.82 0.00 0.00 66.70 66.78 2qya h VAL 82 Cb 0.45 0.63 -0.03 0.00 -1.52 0.00 0.00 31.29 30.83 2qya h VAL 82 CO 0.03 0.30 0.33 0.58 0.02 0.00 0.00 177.57 178.83 2qya h VAL 83 N 0.84 1.10 -0.36 2.57 2.07 -1.24 -1.09 116.25 120.15 2qya h VAL 83 Ca 0.19 -0.23 -0.05 0.00 0.82 0.00 0.00 66.70 67.43 2qya h VAL 83 Cb 0.27 0.38 -0.01 0.00 -1.52 0.00 0.00 31.29 30.40 2qya h VAL 83 CO -0.01 0.12 0.02 0.58 0.02 0.00 0.00 177.57 178.30 2qya h VAL 84 N 0.67 1.25 -0.14 2.57 2.07 -1.16 -2.75 116.25 118.77 2qya h VAL 84 Ca 0.20 -0.94 -0.02 0.00 0.82 0.00 0.00 66.70 66.75 2qya h VAL 84 Cb -0.04 1.16 -0.01 0.00 -1.52 0.00 0.00 31.29 30.87 2qya h VAL 84 CO -0.06 0.31 -0.02 0.44 0.02 0.00 0.00 177.57 178.27 2qya h ASP 85 N 0.45 0.18 0.51 0.57 3.32 -0.88 0.75 116.42 121.32 2qya h ASP 85 Ca 0.10 -0.02 0.00 0.00 0.02 0.00 0.00 57.03 57.14 2qya h ASP 85 Cb 0.43 -0.05 0.00 0.00 0.22 0.00 0.00 39.33 39.93 2qya h ASP 85 CO 0.01 0.23 0.00 0.00 -1.72 0.00 0.00 179.24 177.77 2qya n ALA 86 N -2.50 2.03 -3.03 3.45 0.00 -0.43 -4.90 120.51 115.13 2qya n ALA 86 Ca -0.01 -0.09 -0.13 0.00 0.00 0.00 0.00 53.44 53.21 2qya n ALA 86 Cb 0.17 -1.34 0.04 0.00 0.00 0.00 0.00 19.45 18.32 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 0.53 0.10 0.00 0.00 0.00 0.26 -4.83 105.19 101.25 2qya n GLY 87 Ca 0.08 -0.18 0.04 0.00 0.00 0.00 0.00 46.02 45.96 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 -2.90 0.05 -4.16 0.99 4.77 -1.10 -5.03 117.00 109.61 2qya n LEU 88 Ca -0.01 -0.08 -0.12 0.00 -0.03 0.00 0.00 56.01 55.77 2qya n LEU 88 Cb 0.54 0.00 -0.09 0.00 -2.33 0.00 0.00 43.42 41.54 2qya n LEU 88 CO 0.34 0.01 -0.14 0.00 -1.33 0.00 0.00 177.39 176.28 2qya s ALA 89 N -2.38 0.94 0.12 -1.18 0.00 -1.24 -5.03 121.76 112.99 2qya s ALA 89 Ca -0.02 -1.56 0.05 0.00 0.00 0.00 0.00 51.96 50.43 2qya s ALA 89 Cb 0.05 1.33 -0.04 0.00 0.00 0.00 0.00 23.12 24.46 2qya s ALA 89 CO 0.30 -0.65 0.06 1.03 0.00 0.00 0.00 175.76 176.50 2qya s ARG 90 N -4.04 2.71 0.42 0.00 0.52 -1.26 -4.52 118.95 112.77 2qya s ARG 90 Ca 0.36 -0.85 0.21 0.00 -0.52 0.00 0.00 55.73 54.93 2qya s ARG 90 Cb 0.05 -2.59 1.17 0.00 0.52 0.00 0.00 34.95 34.10 2qya s ARG 90 CO 0.13 0.52 1.78 0.93 0.02 0.00 0.00 175.30 178.67 2qya h GLU 91 N 3.00 0.32 0.00 3.54 5.08 -1.97 0.18 114.58 124.73 2qya h GLU 91 Ca -0.47 -0.02 -0.15 0.00 -1.00 0.00 0.00 59.36 57.71 2qya h GLU 91 Cb 1.18 -0.07 -0.02 0.00 0.50 0.00 0.00 28.75 30.34 2qya h GLU 91 CO 0.62 0.21 -0.73 0.38 -1.00 0.00 0.00 179.01 178.49 2qya h ASP 92 N 0.33 0.00 0.09 1.42 3.04 -2.04 -3.01 116.42 116.26 2qya h ASP 92 Ca 0.59 0.00 -0.00 0.00 -3.24 0.00 0.00 57.03 54.38 2qya h ASP 92 Cb 1.62 0.00 -0.00 0.00 -1.04 0.00 0.00 39.33 39.91 2qya h ASP 92 CO -0.26 0.73 -0.01 -0.33 -2.04 0.00 0.00 179.24 177.34 2qya h GLU 93 N 0.00 0.00 -6.45 4.15 5.08 -1.35 -3.44 114.58 112.57 2qya h GLU 93 Ca -0.01 0.00 -0.54 0.00 -1.00 0.00 0.00 59.36 57.82 2qya h GLU 93 Cb 1.32 0.00 0.01 0.00 0.50 0.00 0.00 28.75 30.59 2qya h GLU 93 CO 0.10 0.01 0.83 0.42 -1.00 0.00 0.00 179.01 179.36 2qya s ILE 94 N -4.28 3.42 0.00 3.13 -1.09 -1.14 -4.98 121.20 116.27 2qya s ILE 94 Ca -0.04 0.91 0.00 0.00 -2.23 0.00 0.00 60.65 59.29 2qya s ILE 94 Cb 0.13 -3.58 0.00 0.00 -1.58 0.00 0.00 42.46 37.43 2qya s ILE 94 CO 0.48 0.02 0.00 0.61 -1.23 0.00 0.00 174.94 174.82 2qya n GLY 95 N 3.66 2.96 2.97 6.18 0.00 -0.11 -4.91 105.19 115.94 2qya n GLY 95 Ca 0.13 -1.93 -0.12 0.00 0.00 0.00 0.00 46.02 44.10 2qya n GLY 95 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 2qya s GLU 96 N 3.14 0.30 -0.21 1.61 -6.30 -1.26 -1.73 118.70 114.26 2qya s GLU 96 Ca 0.00 -0.41 -0.09 0.00 -2.50 0.00 0.00 54.97 51.97 2qya s GLU 96 Cb 0.00 -0.11 0.08 0.00 0.00 0.00 0.00 34.13 34.10 2qya s GLU 96 CO 0.00 0.02 0.48 -1.17 0.02 0.00 0.00 175.26 174.61 2qya s LEU 97 N -0.86 -0.58 -1.50 2.70 2.96 -0.47 -4.78 118.68 116.15 2qya s LEU 97 Ca -0.07 1.11 0.00 0.00 -0.22 0.00 0.00 54.13 54.95 2qya s LEU 97 Cb -0.06 1.61 0.00 0.00 0.50 0.00 0.00 46.19 48.24 2qya s LEU 97 CO -0.00 -0.22 0.00 0.61 -1.32 0.00 0.00 176.35 175.42 2qya n GLY 98 N 4.92 0.08 0.49 7.98 0.00 -1.26 -1.92 105.19 115.48 2qya n GLY 98 Ca -0.15 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.87 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 -0.74 0.68 3.13 -0.02 0.00 -1.26 -4.34 105.19 102.64 2qya n GLY 99 Ca -0.19 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 45.63 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 -2.26 1.08 0.51 1.61 1.01 -0.81 -5.12 120.40 116.43 2qya s VAL 100 Ca 0.00 -0.89 -0.21 0.00 0.00 0.00 0.00 61.98 60.88 2qya s VAL 100 Cb 0.00 -0.96 -0.07 0.00 0.00 0.00 0.00 36.38 35.34 2qya s VAL 100 CO 0.00 0.07 1.03 -2.65 0.00 0.00 0.00 175.10 173.55 2qya n PRO 101 N 2.11 1.22 -3.70 2.72 -0.02 -1.26 -1.36 135.00 134.70 2qya n PRO 101 Ca -0.17 0.45 -0.12 0.00 -2.02 0.00 0.00 63.50 61.64 2qya n PRO 101 Cb 0.55 -2.16 -0.10 0.00 -0.02 0.00 0.00 33.50 31.77 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 -1.39 -0.59 -0.04 6.00 2.46 -0.70 -0.32 115.29 120.71 2qya s HIS 102 Ca 0.69 1.34 0.03 0.00 0.47 0.00 0.00 55.06 57.59 2qya s HIS 102 Cb -0.48 0.24 0.00 0.00 -0.13 0.00 0.00 32.58 32.22 2qya s HIS 102 CO 0.52 -0.30 -0.13 0.08 -2.47 0.00 0.00 174.74 172.45 2qya s VAL 103 N 0.71 1.10 -0.29 0.89 1.01 0.24 -0.94 120.40 123.12 2qya s VAL 103 Ca -0.04 -0.51 -0.03 0.00 0.00 0.00 0.00 61.98 61.40 2qya s VAL 103 Cb -0.05 -0.97 0.11 0.00 0.00 0.00 0.00 36.38 35.47 2qya s VAL 103 CO -0.05 0.33 0.18 -1.58 0.00 0.00 0.00 175.10 173.98 2qya s GLN 104 N 0.28 0.24 0.35 2.72 0.74 -1.26 -0.51 119.66 122.21 2qya s GLN 104 Ca -0.07 -0.47 0.03 0.00 0.05 0.00 0.00 55.36 54.90 2qya s GLN 104 Cb -0.12 -1.04 -0.04 0.00 1.10 0.00 0.00 33.01 32.91 2qya s GLN 104 CO 0.02 -1.03 0.10 0.00 -0.55 0.00 0.00 175.29 173.83 2qya s MET 105 N 2.11 1.72 -0.03 1.67 0.23 0.77 -4.99 119.30 120.78 2qya s MET 105 Ca 0.10 -1.99 -0.05 0.00 -1.03 0.00 0.00 55.69 52.71 2qya s MET 105 Cb -0.16 -0.58 0.01 0.00 -1.53 0.00 0.00 34.83 32.57 2qya s MET 105 CO -0.34 -0.35 0.13 0.71 -2.03 0.00 0.00 175.02 173.14 2qya s TYR 106 N -3.37 -0.07 -0.41 3.16 2.02 -1.26 0.22 117.35 117.65 2qya s TYR 106 Ca 0.32 0.17 -0.04 0.00 -0.37 0.00 0.00 57.07 57.15 2qya s TYR 106 Cb 0.06 0.01 0.10 0.00 -0.40 0.00 0.00 41.96 41.73 2qya s TYR 106 CO 0.15 -0.14 0.20 0.42 -1.57 0.00 0.00 175.55 174.61 2qya s ILE 107 N -0.42 3.39 0.14 2.71 1.01 0.20 -4.98 121.20 123.25 2qya s ILE 107 Ca -0.05 -1.94 -0.26 0.00 0.00 0.00 0.00 60.65 58.40 2qya s ILE 107 Cb -0.03 -3.27 -0.07 0.00 0.01 0.00 0.00 42.46 39.09 2qya s ILE 107 CO 0.00 -0.64 0.80 -0.76 0.00 0.00 0.00 174.94 174.34 2qya s LEU 108 N 1.18 4.57 0.29 2.97 1.02 -1.26 -2.24 118.68 125.21 2qya s LEU 108 Ca 0.07 1.64 -0.29 0.00 0.02 0.00 0.00 54.13 55.57 2qya s LEU 108 Cb -0.23 -3.33 -0.10 0.00 0.02 0.00 0.00 46.19 42.55 2qya s LEU 108 CO -0.03 0.15 1.30 -2.16 0.02 0.00 0.00 176.35 175.63 2qya s PRO 109 N -0.86 4.38 0.32 1.29 0.04 -1.26 -5.03 135.00 133.88 2qya s PRO 109 Ca 0.37 2.16 -0.06 0.00 0.04 0.00 0.00 61.00 63.52 2qya s PRO 109 Cb -0.23 -3.11 -0.05 0.00 0.04 0.00 0.00 34.50 31.15 2qya s PRO 109 CO 0.26 -0.19 0.60 1.03 0.04 0.00 0.00 177.00 178.75 2qya s ARG 110 N -1.31 3.66 0.44 4.56 1.81 -1.26 -5.07 118.95 121.78 2qya s ARG 110 Ca 0.51 0.09 -0.25 0.00 -1.72 0.00 0.00 55.73 54.36 2qya s ARG 110 Cb -0.39 -2.59 -0.08 0.00 -0.45 0.00 0.00 34.95 31.44 2qya s ARG 110 CO 0.48 0.16 1.40 -1.21 -0.68 0.00 0.00 175.30 175.44 2qya s GLU 111 N -3.65 3.74 0.41 3.54 2.02 -1.26 -4.95 118.70 118.55 2qya s GLU 111 Ca 0.45 2.35 -0.26 0.00 0.02 0.00 0.00 54.97 57.54 2qya s GLU 111 Cb -0.11 -2.67 -0.08 0.00 0.10 0.00 0.00 34.13 31.37 2qya s GLU 111 CO 0.31 -0.75 1.29 -1.25 0.02 0.00 0.00 175.26 174.88 2qya s PRO 112 N -2.41 3.94 -0.50 0.39 0.04 -1.26 -4.99 135.00 130.21 2qya s PRO 112 Ca 0.60 2.12 -0.18 0.00 0.04 0.00 0.00 61.00 63.58 2qya s PRO 112 Cb -0.42 -2.72 0.06 0.00 0.04 0.00 0.00 34.50 31.45 2qya s PRO 112 CO 0.54 -0.51 0.58 0.12 0.04 0.00 0.00 177.00 177.77 2qya s PHE 113 N -1.28 3.09 0.36 0.56 5.36 -1.26 -4.94 117.98 119.87 2qya s PHE 113 Ca 0.58 -0.60 0.05 0.00 -0.96 0.00 0.00 56.93 56.00 2qya s PHE 113 Cb -0.37 -3.44 0.70 0.00 -0.34 0.00 0.00 43.02 39.56 2qya s PHE 113 CO 0.48 -0.97 1.95 1.25 -1.46 0.00 0.00 175.22 176.46 2qya h LEU 114 N 9.50 0.50 -1.83 6.12 5.85 -2.05 0.31 115.31 133.70 2qya h LEU 114 Ca -0.28 -0.06 0.00 0.00 0.84 0.00 0.00 57.88 58.39 2qya h LEU 114 Cb 1.10 -0.13 0.00 0.00 0.37 0.00 0.00 40.66 42.00 2qya h LEU 114 CO 0.94 0.48 0.00 -0.62 -0.34 0.00 0.00 178.44 178.90 2qya n GLU 115 N -4.36 2.41 0.00 1.25 4.71 -1.26 -5.37 120.64 118.03 2qya n GLU 115 Ca 0.02 -1.33 0.09 0.00 -0.01 0.00 0.00 57.16 55.93 2qya n GLU 115 Cb 0.17 -1.65 0.51 0.00 -1.01 0.00 0.00 31.44 29.46 2qya n GLU 115 CO 0.00 0.00 0.00 0.41 0.09 0.00 0.00 177.13 177.63