#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1qya s SER -8 N 0.00 6.45 0.33 4.31 0.15 -1.26 -4.93 113.70 118.75 1qya s SER -8 Ca 0.00 2.34 0.26 0.00 0.70 0.00 0.00 55.95 59.25 1qya s SER -8 Cb 0.00 -2.61 1.06 0.00 -1.71 0.00 0.00 66.02 62.76 1qya s SER -8 CO 0.00 -0.73 1.78 0.71 1.20 0.00 0.00 173.24 176.21 1qya h THR -7 N 2.23 0.00 -6.03 6.45 1.35 -2.03 -3.47 112.91 111.41 1qya h THR -7 Ca -0.49 -0.33 -0.41 0.00 -0.55 0.00 0.00 66.41 64.63 1qya h THR -7 Cb 1.24 1.15 0.07 0.00 -1.73 0.00 0.00 68.15 68.87 1qya h THR -7 CO 0.62 0.00 -0.81 -1.20 -0.25 0.00 0.00 175.52 173.88 1qya n SER -6 N -2.47 -1.95 -0.23 5.36 7.64 -1.26 -4.83 113.62 115.87 1qya n SER -6 Ca 0.02 -0.77 -0.05 0.00 1.01 0.00 0.00 58.87 59.08 1qya n SER -6 Cb 0.26 -4.25 0.01 0.00 -1.01 0.00 0.00 64.21 59.22 1qya n SER -6 CO 0.00 0.00 0.00 0.25 -3.01 0.00 0.00 175.04 172.28 1qya h LEU -5 N -1.94 -1.24 0.00 -3.43 5.85 -1.98 -1.24 115.31 111.33 1qya h LEU -5 Ca -0.60 0.24 -0.06 0.00 0.84 0.00 0.00 57.88 58.30 1qya h LEU -5 Cb 1.36 0.61 -0.01 0.00 0.37 0.00 0.00 40.66 42.99 1qya h LEU -5 CO 0.57 -0.30 -0.30 1.88 -0.34 0.00 0.00 178.44 179.94 1qya h TYR -4 N -0.14 0.00 -0.09 1.25 0.05 -1.91 0.34 116.97 116.47 1qya h TYR -4 Ca 0.25 0.00 -0.03 0.00 0.05 0.00 0.00 58.73 59.00 1qya h TYR -4 Cb 0.56 0.00 -0.00 0.00 1.01 0.00 0.00 36.73 38.30 1qya h TYR -4 CO -0.68 0.28 -0.06 -0.22 -1.05 0.00 0.00 178.16 176.42 1qya h LYS -3 N 0.00 0.20 0.11 4.88 1.63 -1.76 -1.83 116.57 119.80 1qya h LYS -3 Ca -0.01 -0.09 -0.23 0.00 -0.85 0.00 0.00 60.65 59.47 1qya h LYS -3 Cb 1.21 -0.00 0.00 0.00 -0.60 0.00 0.00 32.23 32.84 1qya h LYS -3 CO 0.04 0.59 -1.15 0.87 -3.45 0.00 0.00 179.45 176.35 1qya h LYS -2 N -0.19 0.23 0.00 1.90 1.57 -1.12 -3.34 116.57 115.61 1qya h LYS -2 Ca 0.02 -0.39 0.00 0.00 -1.87 0.00 0.00 60.65 58.41 1qya h LYS -2 Cb 0.54 0.15 0.00 0.00 0.08 0.00 0.00 32.23 32.99 1qya h LYS -2 CO 0.02 1.19 -0.33 0.00 -0.57 0.00 0.00 179.45 179.76 1qya n ALA -1 N -2.89 2.77 0.00 3.86 0.00 0.12 -4.92 120.51 119.45 1qya n ALA -1 Ca -0.21 -0.18 0.00 0.00 0.00 0.00 0.00 53.44 53.05 1qya n ALA -1 Cb 0.84 -1.29 0.00 0.00 0.00 0.00 0.00 19.45 19.00 1qya n ALA -1 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1qya n GLY 0 N 1.39 -0.76 0.10 0.00 0.00 -0.69 -4.59 105.19 100.64 1qya n GLY 0 Ca 0.05 -1.67 0.11 0.00 0.00 0.00 0.00 46.02 44.51 1qya n GLY 0 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1qya n LEU 1 N -1.55 0.76 -4.78 0.99 4.77 -1.24 -4.54 117.00 111.40 1qya n LEU 1 Ca 0.00 0.28 -0.33 0.00 -0.03 0.00 0.00 56.01 55.93 1qya n LEU 1 Cb 0.00 -0.06 -0.07 0.00 -2.33 0.00 0.00 43.42 40.96 1qya n LEU 1 CO 0.00 -0.15 -0.25 -0.54 -1.33 0.00 0.00 177.39 175.12 1qya s LYS 2 N -3.36 3.06 0.30 3.23 1.02 -1.26 -4.98 119.74 117.74 1qya s LYS 2 Ca -0.01 -0.49 -0.30 0.00 0.02 0.00 0.00 55.97 55.20 1qya s LYS 2 Cb 0.10 -2.85 -0.12 0.00 -0.52 0.00 0.00 37.83 34.44 1qya s LYS 2 CO 0.80 0.65 1.56 -2.30 -0.92 0.00 0.00 175.35 175.13 1qya n PRO 3 N 1.19 2.62 -4.50 -1.68 -0.02 -1.25 -4.45 135.00 126.90 1qya n PRO 3 Ca -0.13 0.93 -0.31 0.00 -2.02 0.00 0.00 63.50 61.97 1qya n PRO 3 Cb 0.53 -2.69 -0.11 0.00 -0.02 0.00 0.00 33.50 31.20 1qya n PRO 3 CO 0.00 0.00 0.00 -0.65 1.98 0.00 0.00 175.50 176.83 1qya s GLN 4 N -0.65 2.17 -0.09 -0.52 -0.21 -0.95 -3.46 119.66 115.96 1qya s GLN 4 Ca 0.63 -0.94 -0.12 0.00 0.02 0.00 0.00 55.36 54.95 1qya s GLN 4 Cb -0.51 -2.28 -0.05 0.00 1.00 0.00 0.00 33.01 31.17 1qya s GLN 4 CO 0.50 0.54 0.29 0.54 -2.12 0.00 0.00 175.29 175.05 1qya s VAL 5 N -1.02 5.26 -0.07 1.09 0.11 -0.18 -1.75 120.40 123.84 1qya s VAL 5 Ca 0.17 0.56 0.04 0.00 -2.93 0.00 0.00 61.98 59.82 1qya s VAL 5 Cb -0.11 -3.59 -0.02 0.00 -1.53 0.00 0.00 36.38 31.13 1qya s VAL 5 CO 0.08 0.53 -0.19 -0.31 -3.33 0.00 0.00 175.10 171.88 1qya s TYR 6 N -0.57 2.61 -0.28 1.54 1.51 0.13 -1.81 117.35 120.49 1qya s TYR 6 Ca 0.19 -0.52 -0.07 0.00 -1.01 0.00 0.00 57.07 55.66 1qya s TYR 6 Cb -0.14 -1.66 -0.00 0.00 -0.11 0.00 0.00 41.96 40.04 1qya s TYR 6 CO 0.08 -0.08 0.07 -1.58 -1.11 0.00 0.00 175.55 172.92 1qya s HIS 7 N -0.24 3.11 -0.04 2.71 2.46 -0.61 -1.25 115.29 121.43 1qya s HIS 7 Ca -0.00 -0.80 0.05 0.00 0.47 0.00 0.00 55.06 54.77 1qya s HIS 7 Cb -0.13 -2.24 -0.00 0.00 -0.13 0.00 0.00 32.58 30.07 1qya s HIS 7 CO 0.03 -0.51 -0.17 0.08 -2.47 0.00 0.00 174.74 171.70 1qya s VAL 8 N 1.54 1.45 -0.35 0.89 1.01 -0.51 -1.09 120.40 123.33 1qya s VAL 8 Ca 0.04 -0.73 -0.14 0.00 0.00 0.00 0.00 61.98 61.15 1qya s VAL 8 Cb -0.16 -1.24 -0.01 0.00 0.00 0.00 0.00 36.38 34.97 1qya s VAL 8 CO 0.02 0.42 0.30 -1.81 0.00 0.00 0.00 175.10 174.03 1qya s ASP 9 N -0.03 6.11 0.36 3.32 1.01 -0.68 -0.22 116.67 126.53 1qya s ASP 9 Ca -0.02 -0.41 -0.03 0.00 0.71 0.00 0.00 52.55 52.80 1qya s ASP 9 Cb -0.11 -2.16 -0.04 0.00 1.01 0.00 0.00 42.92 41.62 1qya s ASP 9 CO 0.02 -0.30 0.61 0.00 0.21 0.00 0.00 175.17 175.70 1qya s ALA 10 N 1.84 3.60 -1.46 5.23 0.00 0.44 -1.48 121.76 129.92 1qya s ALA 10 Ca 0.08 -0.67 -0.02 0.00 0.00 0.00 0.00 51.96 51.35 1qya s ALA 10 Cb -0.17 -2.30 0.00 0.00 0.00 0.00 0.00 23.12 20.65 1qya s ALA 10 CO 0.11 0.00 0.29 1.19 0.00 0.00 0.00 175.76 177.35 1qya n PHE 11 N -1.56 -1.33 -3.48 0.00 3.72 0.13 -1.30 117.46 113.64 1qya n PHE 11 Ca -0.02 0.25 -0.11 0.00 -0.05 0.00 0.00 57.45 57.52 1qya n PHE 11 Cb 0.55 -3.87 -0.03 0.00 -0.94 0.00 0.00 39.48 35.19 1qya n PHE 11 CO 0.00 0.00 0.00 -0.08 -0.05 0.00 0.00 176.76 176.63 1qya s THR 12 N -3.02 0.00 -1.11 4.37 -1.32 -1.20 -0.59 115.64 112.76 1qya s THR 12 Ca 0.14 0.00 0.16 0.00 -1.21 0.00 0.00 61.69 60.79 1qya s THR 12 Cb -0.06 -1.00 -0.09 0.00 -1.51 0.00 0.00 72.50 69.83 1qya s THR 12 CO 0.18 0.00 0.77 -1.20 -2.21 0.00 0.00 174.62 172.16 1qya n SER 13 N -0.13 1.18 -4.66 8.08 7.64 -1.26 -2.90 113.62 121.57 1qya n SER 13 Ca -0.13 -1.09 -0.37 0.00 1.01 0.00 0.00 58.87 58.28 1qya n SER 13 Cb 0.62 0.75 -0.08 0.00 -1.01 0.00 0.00 64.21 64.49 1qya n SER 13 CO 0.00 0.00 0.00 -1.10 -3.01 0.00 0.00 175.04 170.93 1qya s GLN 14 N -2.25 4.12 0.47 1.43 -0.21 -1.26 -4.83 119.66 117.14 1qya s GLN 14 Ca 0.10 -0.01 -0.23 0.00 0.02 0.00 0.00 55.36 55.24 1qya s GLN 14 Cb 0.13 -3.54 -0.08 0.00 1.00 0.00 0.00 33.01 30.51 1qya s GLN 14 CO 0.54 -0.01 1.16 -2.30 -2.12 0.00 0.00 175.29 172.57 1qya n PRO 15 N 4.44 1.57 -0.96 2.91 -0.02 -1.26 -2.54 135.00 139.13 1qya n PRO 15 Ca -0.11 0.57 0.00 0.00 -2.02 0.00 0.00 63.50 61.93 1qya n PRO 15 Cb 0.51 -2.28 0.00 0.00 -0.02 0.00 0.00 33.50 31.72 1qya n PRO 15 CO 0.00 0.00 0.00 1.19 1.98 0.00 0.00 175.50 178.67 1qya n PHE 16 N -0.65 0.00 -3.78 6.00 3.72 -1.26 -4.99 117.46 116.50 1qya n PHE 16 Ca 0.09 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.49 1qya n PHE 16 Cb 0.41 -0.29 0.00 0.00 -0.94 0.00 0.00 39.48 38.66 1qya n PHE 16 CO 0.00 0.00 0.00 0.54 -0.05 0.00 0.00 176.76 177.25 1qya n ARG 17 N -2.19 2.02 0.00 -1.08 5.12 -1.05 -4.77 116.66 114.70 1qya n ARG 17 Ca 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 57.85 55.92 1qya n ARG 17 Cb 0.05 0.00 0.00 0.00 -1.16 0.00 0.00 32.46 31.35 1qya n ARG 17 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 1qya n GLY 18 N 5.00 1.55 3.01 -0.13 0.00 -0.44 -4.62 105.19 109.56 1qya n GLY 18 Ca 0.00 -0.53 -0.31 0.00 0.00 0.00 0.00 46.02 45.18 1qya n GLY 18 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 1qya s ASN 19 N -4.00 3.65 0.31 1.61 3.84 -0.42 -4.76 114.94 115.18 1qya s ASN 19 Ca 0.00 -1.01 -0.27 0.00 0.21 0.00 0.00 52.86 51.78 1qya s ASN 19 Cb 0.00 -1.30 -0.09 0.00 -0.55 0.00 0.00 41.25 39.30 1qya s ASN 19 CO 0.00 -0.16 0.99 -0.94 -2.79 0.00 0.00 177.10 174.21 1qya s SER 20 N 1.33 7.28 0.00 -4.21 1.04 -1.26 -0.42 113.70 117.46 1qya s SER 20 Ca -0.03 1.98 -0.09 0.00 0.48 0.00 0.00 55.95 58.29 1qya s SER 20 Cb -0.17 -2.60 0.01 0.00 0.10 0.00 0.00 66.02 63.36 1qya s SER 20 CO -0.08 -0.12 0.18 0.00 0.98 0.00 0.00 173.24 174.20 1qya s ALA 21 N -1.44 -0.42 0.11 5.32 0.00 0.69 -4.43 121.76 121.58 1qya s ALA 21 Ca 0.49 -0.05 -0.12 0.00 0.00 0.00 0.00 51.96 52.27 1qya s ALA 21 Cb -0.23 0.12 -0.06 0.00 0.00 0.00 0.00 23.12 22.94 1qya s ALA 21 CO 0.30 -0.23 0.46 0.20 0.00 0.00 0.00 175.76 176.49 1qya s GLY 22 N -1.43 2.40 -0.07 0.00 0.00 -1.03 -1.43 107.32 105.76 1qya s GLY 22 Ca -0.14 -0.27 0.02 0.00 0.00 0.00 0.00 44.72 44.33 1qya s GLY 22 CO 0.02 -0.02 -0.10 0.14 0.00 0.00 0.00 173.10 173.14 1qya s VAL 23 N -1.42 0.97 -0.20 1.40 1.01 -0.38 -1.18 120.40 120.60 1qya s VAL 23 Ca 0.35 -0.36 -0.01 0.00 0.00 0.00 0.00 61.98 61.95 1qya s VAL 23 Cb -0.14 -0.92 0.00 0.00 0.00 0.00 0.00 36.38 35.32 1qya s VAL 23 CO 0.18 0.32 -0.12 -0.69 0.00 0.00 0.00 175.10 174.80 1qya s VAL 24 N 0.88 2.75 -0.24 2.92 1.01 -0.05 0.20 120.40 127.87 1qya s VAL 24 Ca -0.11 -0.71 -0.09 0.00 0.00 0.00 0.00 61.98 61.07 1qya s VAL 24 Cb -0.15 -2.21 0.10 0.00 0.00 0.00 0.00 36.38 34.12 1qya s VAL 24 CO 0.01 0.48 0.53 0.12 0.00 0.00 0.00 175.10 176.24 1qya s PHE 25 N 1.33 -0.99 0.62 5.22 5.36 -0.72 -1.37 117.98 127.43 1qya s PHE 25 Ca 0.04 1.85 -0.15 0.00 -0.96 0.00 0.00 56.93 57.71 1qya s PHE 25 Cb -0.14 0.51 -0.02 0.00 -0.34 0.00 0.00 43.02 43.03 1qya s PHE 25 CO -0.07 -0.54 1.07 -1.25 -1.46 0.00 0.00 175.22 172.98 1qya s PRO 26 N 2.46 3.14 -0.04 10.12 0.04 -1.26 -2.23 135.00 147.23 1qya s PRO 26 Ca -0.05 1.24 0.05 0.00 0.04 0.00 0.00 61.00 62.29 1qya s PRO 26 Cb -0.11 -2.00 0.08 0.00 0.04 0.00 0.00 34.50 32.51 1qya s PRO 26 CO -0.16 -0.96 1.04 0.00 0.04 0.00 0.00 177.00 176.96 1qya n ALA 27 N -2.22 2.07 -1.77 8.56 0.00 -0.49 -3.92 120.51 122.75 1qya n ALA 27 Ca 0.09 -1.44 -0.40 0.00 0.00 0.00 0.00 53.44 51.69 1qya n ALA 27 Cb 0.53 -0.11 -0.00 0.00 0.00 0.00 0.00 19.45 19.87 1qya n ALA 27 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 1qya s ASP 28 N -1.51 6.24 0.00 0.00 1.01 -1.26 -2.67 116.67 118.48 1qya s ASP 28 Ca 0.09 2.76 0.00 0.00 0.71 0.00 0.00 52.55 56.11 1qya s ASP 28 Cb 0.08 -2.65 0.00 0.00 1.01 0.00 0.00 42.92 41.36 1qya s ASP 28 CO 0.01 -0.91 0.00 0.59 0.21 0.00 0.00 175.17 175.07 1qya n ASN 29 N 0.13 0.00 -4.74 0.27 3.02 -1.26 -4.99 115.26 107.68 1qya n ASN 29 Ca 0.03 0.00 -0.41 0.00 -0.03 0.00 0.00 54.58 54.17 1qya n ASN 29 Cb 0.43 -0.46 -0.03 0.00 -0.61 0.00 0.00 39.78 39.10 1qya n ASN 29 CO 0.00 0.00 0.00 -0.76 -2.62 0.00 0.00 177.26 173.88 1qya s LEU 30 N 0.00 4.42 0.69 3.41 1.43 -1.09 -5.03 118.68 122.52 1qya s LEU 30 Ca 0.00 2.35 -0.11 0.00 -1.03 0.00 0.00 54.13 55.34 1qya s LEU 30 Cb 0.00 -3.61 0.01 0.00 0.03 0.00 0.00 46.19 42.62 1qya s LEU 30 CO 0.00 -0.48 1.07 -0.94 0.23 0.00 0.00 176.35 176.23 1qya s SER 31 N 0.27 5.53 0.21 2.29 1.04 -1.26 -4.90 113.70 116.88 1qya s SER 31 Ca 0.55 1.32 -0.09 0.00 0.48 0.00 0.00 55.95 58.21 1qya s SER 31 Cb -0.35 -2.20 0.27 0.00 0.10 0.00 0.00 66.02 63.84 1qya s SER 31 CO 0.38 -1.31 1.76 -0.08 0.98 0.00 0.00 173.24 174.97 1qya h GLU 32 N -0.63 0.46 -0.67 4.02 4.81 -1.99 -1.14 114.58 119.44 1qya h GLU 32 Ca -0.45 -0.03 0.04 0.00 -0.13 0.00 0.00 59.36 58.79 1qya h GLU 32 Cb 1.23 -0.10 -0.05 0.00 0.63 0.00 0.00 28.75 30.46 1qya h GLU 32 CO 0.61 0.31 0.41 0.00 -0.73 0.00 0.00 179.01 179.61 1qya h ALA 33 N 1.40 0.88 -0.74 2.92 0.00 -1.99 -0.96 119.26 120.76 1qya h ALA 33 Ca 0.30 -0.01 -0.05 0.00 0.00 0.00 0.00 54.91 55.15 1qya h ALA 33 Cb 0.33 -0.19 -0.03 0.00 0.00 0.00 0.00 17.79 17.90 1qya h ALA 33 CO -0.27 0.15 0.27 1.96 0.00 0.00 0.00 179.25 181.36 1qya h GLN 34 N 0.79 1.12 -0.62 0.00 4.20 -1.75 -1.92 115.11 116.93 1qya h GLN 34 Ca 0.28 -0.22 -0.07 0.00 0.06 0.00 0.00 58.65 58.70 1qya h GLN 34 Cb 0.06 -0.18 -0.02 0.00 0.30 0.00 0.00 27.48 27.64 1qya h GLN 34 CO -0.12 0.93 0.10 0.52 -0.67 0.00 0.00 178.83 179.59 1qya h MET 35 N 1.09 1.03 -0.58 1.46 2.86 -0.58 -1.00 114.93 119.20 1qya h MET 35 Ca 0.24 -0.28 -0.10 0.00 -2.06 0.00 0.00 59.70 57.51 1qya h MET 35 Cb 0.25 -0.12 -0.02 0.00 0.06 0.00 0.00 31.60 31.77 1qya h MET 35 CO -0.01 0.96 -0.03 0.37 1.06 0.00 0.00 176.91 179.25 1qya h GLN 36 N 0.94 1.04 -0.58 1.72 5.75 -1.02 -1.20 115.11 121.76 1qya h GLN 36 Ca 0.19 -0.34 -0.10 0.00 -0.15 0.00 0.00 58.65 58.25 1qya h GLN 36 Cb 0.43 -0.09 -0.02 0.00 1.07 0.00 0.00 27.48 28.87 1qya h GLN 36 CO 0.01 1.03 -0.03 -0.07 -2.65 0.00 0.00 178.83 177.13 1qya h LEU 37 N 0.94 1.02 -0.45 -2.39 3.38 -1.13 -1.64 115.31 115.04 1qya h LEU 37 Ca 0.16 -0.30 -0.09 0.00 0.09 0.00 0.00 57.88 57.75 1qya h LEU 37 Cb 0.59 -0.27 -0.01 0.00 0.09 0.00 0.00 40.66 41.05 1qya h LEU 37 CO 0.04 1.08 -0.06 0.40 0.09 0.00 0.00 178.44 179.98 1qya h ILE 38 N 0.94 1.27 -0.78 1.22 2.04 -1.02 -0.24 117.51 120.94 1qya h ILE 38 Ca 0.16 -1.15 -0.03 0.00 1.00 0.00 0.00 64.86 64.84 1qya h ILE 38 Cb 0.58 1.10 -0.04 0.00 -0.74 0.00 0.00 36.82 37.73 1qya h ILE 38 CO 0.03 0.40 0.37 0.00 0.00 0.00 0.00 178.15 178.95 1qya h ALA 39 N 0.89 1.01 -0.45 1.87 0.00 -1.13 0.11 119.26 121.56 1qya h ALA 39 Ca 0.12 -0.16 -0.02 0.00 0.00 0.00 0.00 54.91 54.85 1qya h ALA 39 Cb 0.59 -0.31 -0.02 0.00 0.00 0.00 0.00 17.79 18.05 1qya h ALA 39 CO 0.04 0.58 0.21 -0.09 0.00 0.00 0.00 179.25 179.98 1qya h ARG 40 N 1.11 0.65 -0.61 0.00 2.43 -1.12 -2.55 114.38 114.29 1qya h ARG 40 Ca 0.27 -0.10 -0.03 0.00 -0.81 0.00 0.00 59.98 59.30 1qya h ARG 40 Cb 0.13 -0.11 -0.03 0.00 -0.42 0.00 0.00 29.97 29.54 1qya h ARG 40 CO -0.03 0.57 0.25 1.49 -1.51 0.00 0.00 179.97 180.74 1qya h GLU 41 N 0.58 0.91 -0.02 0.20 4.57 -0.43 -3.06 114.58 117.33 1qya h GLU 41 Ca 0.15 -0.16 -0.20 0.00 -1.18 0.00 0.00 59.36 57.97 1qya h GLU 41 Cb 0.14 -0.15 -0.01 0.00 -0.16 0.00 0.00 28.75 28.57 1qya h GLU 41 CO -0.02 0.77 -0.84 -0.07 -1.18 0.00 0.00 179.01 177.67 1qya h LEU 42 N 0.85 0.38 0.00 1.64 3.38 -0.99 -3.48 115.31 117.09 1qya h LEU 42 Ca 0.21 -0.29 0.00 0.00 0.09 0.00 0.00 57.88 57.89 1qya h LEU 42 Cb 0.19 -0.12 0.00 0.00 0.09 0.00 0.00 40.66 40.82 1qya h LEU 42 CO -0.02 1.06 0.00 0.61 0.09 0.00 0.00 178.44 180.18 1qya n GLY 43 N 0.77 0.83 3.71 0.83 0.00 -0.96 -5.03 105.19 105.34 1qya n GLY 43 Ca -0.04 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.67 1qya n GLY 43 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 1qya s HIS 44 N -3.29 2.19 0.28 1.61 3.76 -1.26 -4.93 115.29 113.64 1qya s HIS 44 Ca 0.00 1.47 -0.03 0.00 -0.15 0.00 0.00 55.06 56.36 1qya s HIS 44 Cb 0.00 -3.15 0.40 0.00 1.11 0.00 0.00 32.58 30.94 1qya s HIS 44 CO 0.00 -2.39 1.93 0.66 -0.85 0.00 0.00 174.74 174.09 1qya h SER 45 N -1.55 1.02 -4.62 1.40 4.64 -1.94 -3.38 113.55 109.11 1qya h SER 45 Ca -0.47 -0.01 -0.18 0.00 -0.47 0.00 0.00 61.79 60.66 1qya h SER 45 Cb 1.27 -0.24 -0.23 0.00 -0.31 0.00 0.00 62.40 62.89 1qya h SER 45 CO 0.50 0.70 -0.65 -1.61 -0.87 0.00 0.00 176.83 174.90 1qya s GLU 46 N -6.00 0.27 -0.06 4.77 8.01 -1.26 -4.20 118.70 120.22 1qya s GLU 46 Ca -0.12 -0.38 0.05 0.00 0.01 0.00 0.00 54.97 54.53 1qya s GLU 46 Cb 0.19 0.10 -0.01 0.00 -4.31 0.00 0.00 34.13 30.10 1qya s GLU 46 CO 0.81 -0.05 -0.24 0.99 0.01 0.00 0.00 175.26 176.78 1qya s THR 47 N -1.02 2.17 -0.08 3.63 2.01 -0.24 -2.47 115.64 119.64 1qya s THR 47 Ca -0.11 -1.02 -0.02 0.00 0.31 0.00 0.00 61.69 60.85 1qya s THR 47 Cb -0.07 -1.80 -0.03 0.00 0.01 0.00 0.00 72.50 70.61 1qya s THR 47 CO -0.00 0.57 0.02 0.00 -0.69 0.00 0.00 174.62 174.51 1qya s ALA 48 N -0.12 3.35 -0.18 7.40 0.00 -0.33 -1.58 121.76 130.30 1qya s ALA 48 Ca -0.05 -0.81 0.01 0.00 0.00 0.00 0.00 51.96 51.12 1qya s ALA 48 Cb -0.14 -1.51 0.02 0.00 0.00 0.00 0.00 23.12 21.49 1qya s ALA 48 CO 0.04 0.60 -0.20 -0.06 0.00 0.00 0.00 175.76 176.14 1qya s PHE 49 N -0.93 2.74 -0.28 0.00 0.40 0.08 -0.87 117.98 119.11 1qya s PHE 49 Ca 0.14 -1.61 -0.11 0.00 -0.60 0.00 0.00 56.93 54.75 1qya s PHE 49 Cb -0.11 -1.90 -0.05 0.00 0.51 0.00 0.00 43.02 41.47 1qya s PHE 49 CO 0.04 -0.79 0.21 -0.51 0.70 0.00 0.00 175.22 174.86 1qya s LEU 50 N 1.28 4.05 0.20 -0.37 1.02 -0.47 -1.79 118.68 122.60 1qya s LEU 50 Ca 0.04 -0.01 0.11 0.00 0.02 0.00 0.00 54.13 54.30 1qya s LEU 50 Cb -0.13 -2.15 -0.04 0.00 0.02 0.00 0.00 46.19 43.89 1qya s LEU 50 CO -0.12 -0.07 -0.22 -0.76 0.02 0.00 0.00 176.35 175.19 1qya s LEU 51 N 1.79 2.51 0.62 1.79 1.43 0.65 -1.39 118.68 126.06 1qya s LEU 51 Ca 0.08 -0.86 -0.18 0.00 -1.03 0.00 0.00 54.13 52.14 1qya s LEU 51 Cb -0.16 -1.21 -0.02 0.00 0.03 0.00 0.00 46.19 44.83 1qya s LEU 51 CO 0.11 0.11 1.17 -2.28 0.23 0.00 0.00 176.35 175.69 1qya s HIS 52 N -1.79 2.44 0.00 0.29 5.65 -1.26 -1.46 115.29 119.17 1qya s HIS 52 Ca 0.22 1.54 0.03 0.00 0.25 0.00 0.00 55.06 57.10 1qya s HIS 52 Cb -0.08 -3.37 -0.01 0.00 -1.18 0.00 0.00 32.58 27.94 1qya s HIS 52 CO 0.11 -2.03 -0.09 0.45 -0.65 0.00 0.00 174.74 172.53 1qya s SER 53 N -1.90 1.03 0.31 9.88 0.15 -1.26 -4.50 113.70 117.40 1qya s SER 53 Ca 0.74 -0.23 0.23 0.00 0.70 0.00 0.00 55.95 57.39 1qya s SER 53 Cb -0.27 -0.09 0.26 0.00 -1.71 0.00 0.00 66.02 64.21 1qya s SER 53 CO 0.35 0.06 1.39 0.44 1.20 0.00 0.00 173.24 176.68 1qya h ASP 54 N 5.67 0.00 0.00 5.45 5.19 -1.97 -3.39 116.42 127.37 1qya h ASP 54 Ca -0.32 -0.02 0.00 0.00 -0.62 0.00 0.00 57.03 56.07 1qya h ASP 54 Cb 1.18 0.00 0.00 0.00 0.18 0.00 0.00 39.33 40.69 1qya h ASP 54 CO 0.48 0.01 -0.15 -0.90 -3.12 0.00 0.00 179.24 175.56 1qya n ASP 55 N -2.78 1.37 -3.28 6.45 5.75 -1.26 -5.07 116.55 117.72 1qya n ASP 55 Ca 0.03 -2.39 -0.05 0.00 -0.01 0.00 0.00 54.79 52.37 1qya n ASP 55 Cb 0.52 -0.25 0.02 0.00 -1.03 0.00 0.00 41.12 40.38 1qya n ASP 55 CO 0.00 0.00 0.00 -0.94 -0.11 0.00 0.00 177.20 176.15 1qya s SER 56 N -1.74 -0.01 0.29 -1.12 1.04 -1.26 -5.01 113.70 105.88 1qya s SER 56 Ca 0.14 -0.79 0.06 0.00 0.48 0.00 0.00 55.95 55.84 1qya s SER 56 Cb 0.13 0.60 0.43 0.00 0.10 0.00 0.00 66.02 67.28 1qya s SER 56 CO 0.01 -1.19 1.69 0.44 0.98 0.00 0.00 173.24 175.17 1qya h ASP 57 N 2.00 0.28 -4.12 7.02 5.19 -1.54 -3.39 116.42 121.86 1qya h ASP 57 Ca -0.28 -0.12 -0.02 0.00 -0.62 0.00 0.00 57.03 55.99 1qya h ASP 57 Cb 1.23 -0.08 -0.22 0.00 0.18 0.00 0.00 39.33 40.44 1qya h ASP 57 CO 0.36 0.67 0.24 0.54 -3.12 0.00 0.00 179.24 177.93 1qya s VAL 58 N -4.15 0.00 -0.11 -1.35 0.11 -1.21 -4.59 120.40 109.10 1qya s VAL 58 Ca -0.05 0.00 -0.02 0.00 -2.93 0.00 0.00 61.98 58.99 1qya s VAL 58 Cb 0.13 -1.00 -0.03 0.00 -1.53 0.00 0.00 36.38 33.95 1qya s VAL 58 CO 0.78 0.00 -0.04 -0.60 -3.33 0.00 0.00 175.10 171.91 1qya s ARG 59 N -0.18 3.21 -0.06 1.54 3.52 -0.54 -0.82 118.95 125.64 1qya s ARG 59 Ca -0.02 -0.51 0.04 0.00 -0.13 0.00 0.00 55.73 55.11 1qya s ARG 59 Cb -0.03 -2.78 0.00 0.00 -1.56 0.00 0.00 34.95 30.58 1qya s ARG 59 CO 0.02 0.48 -0.16 0.42 -0.81 0.00 0.00 175.30 175.25 1qya s ILE 60 N -0.30 1.40 -0.03 4.11 1.01 -0.32 -0.26 121.20 126.81 1qya s ILE 60 Ca 0.05 -0.67 0.03 0.00 0.00 0.00 0.00 60.65 60.05 1qya s ILE 60 Cb -0.12 -1.23 -0.03 0.00 0.01 0.00 0.00 42.46 41.09 1qya s ILE 60 CO 0.02 0.41 -0.08 -0.13 0.00 0.00 0.00 174.94 175.16 1qya s ARG 61 N 0.27 2.59 -0.08 2.79 0.52 -0.74 -4.52 118.95 119.77 1qya s ARG 61 Ca -0.09 -0.67 0.05 0.00 -0.52 0.00 0.00 55.73 54.50 1qya s ARG 61 Cb -0.13 -2.50 -0.00 0.00 0.52 0.00 0.00 34.95 32.83 1qya s ARG 61 CO 0.03 0.62 -0.24 0.71 0.02 0.00 0.00 175.30 176.45 1qya s TYR 62 N -0.89 2.44 -0.03 -0.53 1.51 -1.26 -0.74 117.35 117.85 1qya s TYR 62 Ca 0.15 -0.90 0.03 0.00 -1.01 0.00 0.00 57.07 55.33 1qya s TYR 62 Cb -0.11 -1.63 0.00 0.00 -0.11 0.00 0.00 41.96 40.12 1qya s TYR 62 CO 0.04 -0.34 -0.11 -0.06 -1.11 0.00 0.00 175.55 173.98 1qya s PHE 63 N 0.17 1.13 0.95 2.71 0.40 -0.62 -1.02 117.98 121.70 1qya s PHE 63 Ca -0.13 -0.30 -0.14 0.00 -0.60 0.00 0.00 56.93 55.76 1qya s PHE 63 Cb -0.16 -0.80 0.21 0.00 0.51 0.00 0.00 43.02 42.78 1qya s PHE 63 CO 0.07 -0.12 1.30 0.95 0.70 0.00 0.00 175.22 178.11 1qya s THR 64 N 0.20 2.00 0.66 0.64 -4.23 -0.18 -1.08 115.64 113.65 1qya s THR 64 Ca -0.04 -0.11 0.34 0.00 -1.18 0.00 0.00 61.69 60.70 1qya s THR 64 Cb -0.10 -2.89 0.35 0.00 1.34 0.00 0.00 72.50 71.21 1qya s THR 64 CO 0.01 0.00 2.06 -0.65 -0.54 0.00 0.00 174.62 175.50 1qya h PRO 65 N -1.56 0.00 0.00 3.99 0.11 -1.74 -3.29 132.00 129.50 1qya h PRO 65 Ca -0.42 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.69 1qya h PRO 65 Cb 1.22 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.33 1qya h PRO 65 CO 0.32 0.00 -0.92 0.25 -0.21 0.00 0.00 178.00 177.44 1qya n THR 66 N -3.04 0.00 -3.54 -1.15 -2.24 -1.26 -4.01 114.28 99.04 1qya n THR 66 Ca -0.02 0.00 -0.17 0.00 -2.27 0.00 0.00 64.05 61.60 1qya n THR 66 Cb 0.30 0.45 -0.06 0.00 -2.10 0.00 0.00 70.33 68.92 1qya n THR 66 CO 0.00 0.00 0.00 0.54 -0.57 0.00 0.00 175.07 175.04 1qya s VAL 67 N -1.84 0.01 0.29 2.28 0.11 -1.24 -5.14 120.40 114.86 1qya s VAL 67 Ca 0.00 -0.07 -0.29 0.00 -2.93 0.00 0.00 61.98 58.69 1qya s VAL 67 Cb 0.00 -0.96 -0.10 0.00 -1.53 0.00 0.00 36.38 33.79 1qya s VAL 67 CO 0.00 -0.04 1.11 -0.70 -3.33 0.00 0.00 175.10 172.14 1qya s GLU 68 N -1.57 4.60 0.14 1.54 2.12 -1.26 -1.01 118.70 123.25 1qya s GLU 68 Ca -0.10 1.82 0.07 0.00 0.36 0.00 0.00 54.97 57.13 1qya s GLU 68 Cb -0.01 -3.15 -0.04 0.00 0.26 0.00 0.00 34.13 31.20 1qya s GLU 68 CO 0.06 0.17 -0.16 0.14 -0.54 0.00 0.00 175.26 174.93 1qya s VAL 69 N -1.18 1.53 0.17 3.70 -7.23 -0.19 -4.93 120.40 112.27 1qya s VAL 69 Ca 0.45 -1.80 -0.14 0.00 -1.81 0.00 0.00 61.98 58.69 1qya s VAL 69 Cb -0.32 -1.66 0.06 0.00 0.56 0.00 0.00 36.38 35.02 1qya s VAL 69 CO 0.41 -0.37 1.80 -0.65 -0.31 0.00 0.00 175.10 175.98 1qya h PRO 70 N 3.41 0.55 -1.57 4.82 0.11 -1.95 -3.35 132.00 134.01 1qya h PRO 70 Ca -0.41 -0.03 0.14 0.00 0.11 0.00 0.00 66.00 65.81 1qya h PRO 70 Cb 1.20 -0.12 -0.22 0.00 0.11 0.00 0.00 31.00 31.97 1qya h PRO 70 CO 0.51 0.36 0.65 -1.50 -0.21 0.00 0.00 178.00 177.81 1qya s ILE 71 N -6.14 0.00 -0.11 4.15 2.07 -1.26 -3.62 121.20 116.29 1qya s ILE 71 Ca -0.13 0.00 -0.06 0.00 -1.41 0.00 0.00 60.65 59.05 1qya s ILE 71 Cb 0.13 -1.00 0.04 0.00 0.13 0.00 0.00 42.46 41.76 1qya s ILE 71 CO 0.74 0.00 0.26 0.00 -1.91 0.00 0.00 174.94 174.03 1qya h GLY 73 N 6.85 -1.33 1.82 0.00 0.00 -2.00 0.07 103.07 108.48 1qya h GLY 73 Ca -0.37 0.57 -0.10 0.00 0.00 0.00 0.00 47.33 47.44 1qya h GLY 73 CO 0.36 -0.42 -0.37 1.12 0.00 0.00 0.00 176.54 177.23 1qya h HIS 74 N -1.13 0.23 -0.04 5.60 2.07 -1.97 -1.31 115.15 118.60 1qya h HIS 74 Ca -0.09 -0.06 -0.12 0.00 -2.85 0.00 0.00 60.37 57.25 1qya h HIS 74 Cb 0.94 -0.05 -0.01 0.00 2.57 0.00 0.00 27.41 30.85 1qya h HIS 74 CO -0.18 0.55 -0.54 0.00 -3.07 0.00 0.00 177.93 174.70 1qya h ALA 75 N 1.44 1.03 -0.51 6.11 0.00 -1.92 -1.25 119.26 124.16 1qya h ALA 75 Ca 0.02 -0.50 -0.12 0.00 0.00 0.00 0.00 54.91 54.31 1qya h ALA 75 Cb 0.75 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 18.43 1qya h ALA 75 CO 0.06 0.68 -0.16 1.15 0.00 0.00 0.00 179.25 180.98 1qya h THR 76 N 0.08 1.27 0.07 0.00 2.02 -0.32 0.40 112.91 116.44 1qya h THR 76 Ca -0.00 -1.32 -0.00 0.00 0.77 0.00 0.00 66.41 65.85 1qya h THR 76 Cb 0.98 1.05 0.00 0.00 -1.74 0.00 0.00 68.15 68.44 1qya h THR 76 CO 0.08 0.46 -0.04 0.58 0.37 0.00 0.00 175.52 176.97 1qya h VAL 77 N 0.88 1.04 -0.53 3.16 2.07 -1.08 -2.21 116.25 119.58 1qya h VAL 77 Ca 0.12 -0.39 0.08 0.00 0.82 0.00 0.00 66.70 67.33 1qya h VAL 77 Cb 0.74 1.30 -0.06 0.00 -1.52 0.00 0.00 31.29 31.74 1qya h VAL 77 CO 0.06 0.10 0.18 0.00 0.02 0.00 0.00 177.57 177.92 1qya h ALA 78 N 0.64 0.65 0.17 1.67 0.00 -1.17 -0.57 119.26 120.65 1qya h ALA 78 Ca -0.01 0.08 -0.00 0.00 0.00 0.00 0.00 54.91 54.97 1qya h ALA 78 Cb 0.24 0.06 -0.00 0.00 0.00 0.00 0.00 17.79 18.08 1qya h ALA 78 CO 0.02 -0.22 -0.10 0.00 0.00 0.00 0.00 179.25 178.94 1qya h ALA 79 N 1.37 -0.25 0.00 0.00 0.00 -0.77 -1.20 119.26 118.40 1qya h ALA 79 Ca 0.26 -0.05 -0.12 0.00 0.00 0.00 0.00 54.91 55.00 1qya h ALA 79 Cb 0.30 0.13 -0.02 0.00 0.00 0.00 0.00 17.79 18.20 1qya h ALA 79 CO -0.27 -0.65 -0.56 0.45 0.00 0.00 0.00 179.25 178.22 1qya h HIS 80 N -0.27 0.00 -0.01 0.00 3.86 -1.24 -1.68 115.15 115.82 1qya h HIS 80 Ca -0.01 0.00 -0.00 0.00 -1.16 0.00 0.00 60.37 59.19 1qya h HIS 80 Cb 0.22 0.00 -0.00 0.00 1.06 0.00 0.00 27.41 28.69 1qya h HIS 80 CO -0.09 0.56 0.01 -0.92 0.86 0.00 0.00 177.93 178.35 1qya h TYR 81 N 0.00 0.02 -0.14 2.45 3.20 -0.89 0.73 116.97 122.35 1qya h TYR 81 Ca -0.01 -0.00 0.03 0.00 3.14 0.00 0.00 58.73 61.89 1qya h TYR 81 Cb 1.06 -0.01 -0.03 0.00 1.54 0.00 0.00 36.73 39.30 1qya h TYR 81 CO 0.00 0.14 -0.06 0.28 -1.64 0.00 0.00 178.16 176.88 1qya h VAL 82 N -0.11 0.80 -0.26 1.81 2.07 -1.02 -1.44 116.25 118.10 1qya h VAL 82 Ca 0.00 0.00 -0.02 0.00 0.82 0.00 0.00 66.70 67.51 1qya h VAL 82 Cb 0.13 0.80 -0.01 0.00 -1.52 0.00 0.00 31.29 30.69 1qya h VAL 82 CO -0.00 0.00 0.10 -0.09 0.02 0.00 0.00 177.57 177.60 1qya h ARG 83 N -0.04 0.40 -0.69 1.57 2.43 -1.22 0.55 114.38 117.37 1qya h ARG 83 Ca 0.07 -0.08 0.05 0.00 -0.81 0.00 0.00 59.98 59.22 1qya h ARG 83 Cb 0.16 -0.06 -0.05 0.00 -0.42 0.00 0.00 29.97 29.59 1qya h ARG 83 CO -0.17 0.45 0.41 0.00 -1.51 0.00 0.00 179.97 179.15 1qya h ALA 84 N 0.94 0.92 -0.08 2.80 0.00 -0.69 -0.15 119.26 122.99 1qya h ALA 84 Ca 0.09 0.00 -0.18 0.00 0.00 0.00 0.00 54.91 54.82 1qya h ALA 84 Cb 0.20 -0.17 0.01 0.00 0.00 0.00 0.00 17.79 17.83 1qya h ALA 84 CO -0.01 0.12 -0.66 -0.22 0.00 0.00 0.00 179.25 178.49 1qya h LYS 85 N 0.77 0.60 -0.54 0.00 3.64 -0.98 -0.90 116.57 119.16 1qya h LYS 85 Ca 0.30 -0.53 -0.07 0.00 -1.27 0.00 0.00 60.65 59.08 1qya h LYS 85 Cb 0.13 0.12 -0.02 0.00 -0.41 0.00 0.00 32.23 32.05 1qya h LYS 85 CO -0.15 1.15 0.05 0.28 -2.27 0.00 0.00 179.45 178.50 1qya h VAL 86 N 0.22 1.26 -0.00 2.00 2.07 -0.79 -3.07 116.25 117.94 1qya h VAL 86 Ca -0.06 -1.03 0.00 0.00 0.82 0.00 0.00 66.70 66.43 1qya h VAL 86 Cb 1.31 0.87 0.00 0.00 -1.52 0.00 0.00 31.29 31.95 1qya h VAL 86 CO 0.13 0.37 -0.08 0.18 0.02 0.00 0.00 177.57 178.19 1qya n LEU 87 N -4.32 0.33 -2.68 2.57 4.77 -0.08 -4.68 117.00 112.91 1qya n LEU 87 Ca 0.02 0.08 -0.17 0.00 -0.03 0.00 0.00 56.01 55.91 1qya n LEU 87 Cb 0.29 -0.21 0.05 0.00 -2.33 0.00 0.00 43.42 41.23 1qya n LEU 87 CO 0.42 0.06 0.16 0.61 -1.33 0.00 0.00 177.39 177.31 1qya n GLY 88 N 1.28 -0.14 3.77 -0.72 0.00 -0.65 -4.98 105.19 103.74 1qya n GLY 88 Ca 0.15 -0.01 -0.34 0.00 0.00 0.00 0.00 46.02 45.81 1qya n GLY 88 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1qya s LEU 89 N -5.50 3.62 0.00 0.99 1.43 -0.43 -5.05 118.68 113.74 1qya s LEU 89 Ca 0.40 2.13 0.00 0.00 -1.03 0.00 0.00 54.13 55.63 1qya s LEU 89 Cb -0.18 -4.57 0.00 0.00 0.03 0.00 0.00 46.19 41.47 1qya s LEU 89 CO 0.50 -1.37 0.00 0.61 0.23 0.00 0.00 176.35 176.31 1qya n GLY 90 N -0.05 1.68 3.67 -3.19 0.00 -1.26 -4.90 105.19 101.13 1qya n GLY 90 Ca 0.11 -1.93 -0.42 0.00 0.00 0.00 0.00 46.02 43.78 1qya n GLY 90 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1qya s ASN 91 N -1.00 6.79 0.21 1.61 0.01 -1.26 -4.57 114.94 116.73 1qya s ASN 91 Ca 0.00 2.06 -0.19 0.00 -0.71 0.00 0.00 52.86 54.02 1qya s ASN 91 Cb 0.00 -2.54 0.03 0.00 0.41 0.00 0.00 41.25 39.15 1qya s ASN 91 CO 0.00 -0.82 0.58 0.00 -1.51 0.00 0.00 177.10 175.35 1qya s THR 93 N -3.86 2.72 0.39 0.00 2.01 -1.26 -0.76 115.64 114.88 1qya s THR 93 Ca 0.08 -0.73 0.04 0.00 0.31 0.00 0.00 61.69 61.39 1qya s THR 93 Cb -0.02 -2.18 -0.05 0.00 0.01 0.00 0.00 72.50 70.26 1qya s THR 93 CO -0.03 0.49 0.06 0.27 -0.69 0.00 0.00 174.62 174.72 1qya s ILE 94 N 1.20 1.17 -0.04 1.82 -4.36 -0.08 -4.98 121.20 115.92 1qya s ILE 94 Ca 0.02 -2.00 0.06 0.00 -0.26 0.00 0.00 60.65 58.47 1qya s ILE 94 Cb -0.14 -2.61 -0.01 0.00 1.25 0.00 0.00 42.46 40.95 1qya s ILE 94 CO -0.05 0.00 -0.22 0.26 0.24 0.00 0.00 174.94 175.16 1qya s TRP 95 N -3.11 2.14 0.19 1.37 0.52 -1.26 -0.73 118.94 118.07 1qya s TRP 95 Ca 0.28 -0.58 0.09 0.00 0.02 0.00 0.00 56.10 55.91 1qya s TRP 95 Cb 0.06 -1.41 -0.04 0.00 -1.15 0.00 0.00 33.47 30.93 1qya s TRP 95 CO 0.14 -0.16 -0.09 1.14 0.02 0.00 0.00 176.95 177.99 1qya s GLN 96 N -0.19 2.06 -0.01 4.98 -2.07 -0.09 -1.38 119.66 122.96 1qya s GLN 96 Ca -0.01 -1.31 0.08 0.00 -1.82 0.00 0.00 55.36 52.30 1qya s GLN 96 Cb -0.12 -2.14 -0.02 0.00 -1.09 0.00 0.00 33.01 29.64 1qya s GLN 96 CO 0.02 0.42 -0.24 0.99 -1.32 0.00 0.00 175.29 175.16 1qya s THR 97 N -1.81 1.93 0.21 3.63 2.01 0.00 -1.76 115.64 119.86 1qya s THR 97 Ca 0.26 -1.09 -0.06 0.00 0.31 0.00 0.00 61.69 61.11 1qya s THR 97 Cb -0.08 -1.61 0.02 0.00 0.01 0.00 0.00 72.50 70.84 1qya s THR 97 CO 0.16 0.51 0.38 -1.54 -0.69 0.00 0.00 174.62 173.43 1qya n SER 98 N 2.37 -1.10 0.25 3.53 3.41 -0.61 -1.18 113.62 120.29 1qya n SER 98 Ca -0.16 -1.94 0.09 0.00 -0.26 0.00 0.00 58.87 56.61 1qya n SER 98 Cb 0.52 1.88 0.63 0.00 -0.26 0.00 0.00 64.21 66.97 1qya n SER 98 CO 0.00 0.00 0.00 -0.07 -0.16 0.00 0.00 175.04 174.81 1qya h LEU 99 N 0.00 0.00 -0.23 1.04 4.07 -1.79 -1.91 115.31 116.49 1qya h LEU 99 Ca -0.17 0.00 0.00 0.00 0.08 0.00 0.00 57.88 57.79 1qya h LEU 99 Cb 0.67 0.00 0.00 0.00 1.08 0.00 0.00 40.66 42.41 1qya h LEU 99 CO 0.22 0.14 -0.01 0.00 -1.08 0.00 0.00 178.44 177.72 1qya n ALA 100 N -2.39 2.66 0.00 1.53 0.00 -1.24 -5.02 120.51 116.05 1qya n ALA 100 Ca -0.02 -0.26 0.00 0.00 0.00 0.00 0.00 53.44 53.16 1qya n ALA 100 Cb 0.23 -1.43 0.00 0.00 0.00 0.00 0.00 19.45 18.26 1qya n ALA 100 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1qya n GLY 101 N 1.07 0.02 3.41 0.00 0.00 -0.72 -4.95 105.19 104.02 1qya n GLY 101 Ca 0.22 -2.02 -0.40 0.00 0.00 0.00 0.00 46.02 43.82 1qya n GLY 101 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1qya s LYS 102 N 0.00 3.05 -0.06 1.61 2.20 -1.26 -1.58 119.74 123.70 1qya s LYS 102 Ca 0.00 -0.92 0.01 0.00 -0.36 0.00 0.00 55.97 54.69 1qya s LYS 102 Cb 0.00 -3.67 -0.03 0.00 -1.51 0.00 0.00 37.83 32.62 1qya s LYS 102 CO 0.00 -0.58 -0.05 -1.01 -0.36 0.00 0.00 175.35 173.35 1qya s HIS 103 N 1.58 2.98 0.18 4.03 3.76 -0.72 -4.98 115.29 122.13 1qya s HIS 103 Ca 0.03 0.05 -0.25 0.00 -0.15 0.00 0.00 55.06 54.74 1qya s HIS 103 Cb -0.18 -1.71 -0.08 0.00 1.11 0.00 0.00 32.58 31.71 1qya s HIS 103 CO 0.07 0.37 0.79 0.50 -0.85 0.00 0.00 174.74 175.62 1qya s ARG 104 N -0.94 4.56 -0.04 1.40 3.52 -1.26 -0.92 118.95 125.28 1qya s ARG 104 Ca 0.14 1.16 0.02 0.00 -0.13 0.00 0.00 55.73 56.92 1qya s ARG 104 Cb -0.11 -3.21 0.01 0.00 -1.56 0.00 0.00 34.95 30.08 1qya s ARG 104 CO 0.03 0.54 -0.09 0.08 -0.81 0.00 0.00 175.30 175.06 1qya s VAL 105 N -1.20 0.80 -0.11 7.11 1.01 0.09 -4.23 120.40 123.87 1qya s VAL 105 Ca 0.37 -0.33 -0.03 0.00 0.00 0.00 0.00 61.98 61.99 1qya s VAL 105 Cb -0.23 -0.74 -0.03 0.00 0.00 0.00 0.00 36.38 35.38 1qya s VAL 105 CO 0.26 0.26 0.01 -0.89 0.00 0.00 0.00 175.10 174.74 1qya s THR 106 N 0.46 4.37 -0.13 3.92 2.01 -0.45 -0.91 115.64 124.92 1qya s THR 106 Ca -0.08 -0.21 0.02 0.00 0.31 0.00 0.00 61.69 61.73 1qya s THR 106 Cb -0.12 -2.87 -0.00 0.00 0.01 0.00 0.00 72.50 69.52 1qya s THR 106 CO 0.01 0.57 -0.19 -0.63 -0.69 0.00 0.00 174.62 173.69 1qya s ILE 107 N -0.51 2.45 -0.08 1.82 -1.09 0.06 -1.00 121.20 122.85 1qya s ILE 107 Ca 0.09 -0.86 0.04 0.00 -2.23 0.00 0.00 60.65 57.69 1qya s ILE 107 Cb -0.12 -2.00 -0.01 0.00 -1.58 0.00 0.00 42.46 38.76 1qya s ILE 107 CO 0.02 0.54 -0.21 -1.61 -1.23 0.00 0.00 174.94 172.44 1qya s GLU 108 N 0.55 2.86 -0.16 2.79 2.02 -0.58 -1.92 118.70 124.26 1qya s GLU 108 Ca -0.11 -0.84 -0.01 0.00 0.02 0.00 0.00 54.97 54.03 1qya s GLU 108 Cb -0.16 -2.32 -0.01 0.00 0.10 0.00 0.00 34.13 31.74 1qya s GLU 108 CO 0.04 0.31 -0.12 0.21 0.02 0.00 0.00 175.26 175.71 1qya s LYS 109 N 0.04 3.30 -0.20 1.61 2.20 -1.26 -1.66 119.74 123.77 1qya s LYS 109 Ca -0.08 -0.70 -0.04 0.00 -0.36 0.00 0.00 55.97 54.78 1qya s LYS 109 Cb -0.15 -2.70 0.08 0.00 -1.51 0.00 0.00 37.83 33.54 1qya s LYS 109 CO 0.05 0.04 0.13 -1.58 -0.36 0.00 0.00 175.35 173.64 1qya s HIS 110 N 0.79 0.07 -1.04 4.03 2.46 -0.71 -4.85 115.29 116.06 1qya s HIS 110 Ca -0.05 -0.26 -0.03 0.00 0.47 0.00 0.00 55.06 55.20 1qya s HIS 110 Cb -0.15 -0.63 -0.03 0.00 -0.13 0.00 0.00 32.58 31.64 1qya s HIS 110 CO 0.01 -0.59 0.88 0.09 -2.47 0.00 0.00 174.74 172.66 1qya n ASN 111 N 5.29 -3.98 -0.19 9.88 4.13 -1.26 -2.69 115.26 126.43 1qya n ASN 111 Ca -0.06 -0.61 -0.02 0.00 1.68 0.00 0.00 54.58 55.57 1qya n ASN 111 Cb 0.48 -4.78 -0.01 0.00 -1.54 0.00 0.00 39.78 33.93 1qya n ASN 111 CO 0.00 0.00 0.00 0.47 0.28 0.00 0.00 177.26 178.01 1qya n ASP 112 N -3.01 -5.72 -4.63 6.41 9.92 -1.26 -4.98 116.55 113.28 1qya n ASP 112 Ca -0.17 0.06 -0.24 0.00 -0.53 0.00 0.00 54.79 53.90 1qya n ASP 112 Cb 0.63 -3.55 -0.08 0.00 -0.64 0.00 0.00 41.12 37.48 1qya n ASP 112 CO 0.00 0.00 0.00 -0.62 0.13 0.00 0.00 177.20 176.71 1qya s ASP 113 N -2.02 4.19 0.01 -2.24 -1.08 -1.10 -5.09 116.67 109.35 1qya s ASP 113 Ca 0.00 -0.96 0.02 0.00 -0.52 0.00 0.00 52.55 51.10 1qya s ASP 113 Cb 0.00 -0.55 -0.01 0.00 -1.46 0.00 0.00 42.92 40.90 1qya s ASP 113 CO 0.00 -0.20 -0.07 -0.31 0.52 0.00 0.00 175.17 175.11 1qya s TYR 114 N -2.50 0.63 -0.07 -5.34 2.02 -1.26 -1.73 117.35 109.11 1qya s TYR 114 Ca 0.34 -0.24 0.02 0.00 -0.37 0.00 0.00 57.07 56.83 1qya s TYR 114 Cb -0.01 -0.39 0.01 0.00 -0.40 0.00 0.00 41.96 41.17 1qya s TYR 114 CO 0.19 -0.03 -0.13 0.50 -1.57 0.00 0.00 175.55 174.52 1qya s ARG 115 N -0.65 1.74 -0.11 -0.62 3.52 -0.67 -4.46 118.95 117.71 1qya s ARG 115 Ca -0.01 -0.43 -0.01 0.00 -0.13 0.00 0.00 55.73 55.15 1qya s ARG 115 Cb -0.05 -1.43 -0.03 0.00 -1.56 0.00 0.00 34.95 31.88 1qya s ARG 115 CO 0.00 0.04 -0.08 0.42 -0.81 0.00 0.00 175.30 174.87 1qya s ILE 116 N 0.64 3.56 -0.09 4.11 -1.09 0.57 -1.53 121.20 127.38 1qya s ILE 116 Ca -0.15 -0.50 0.04 0.00 -2.23 0.00 0.00 60.65 57.81 1qya s ILE 116 Cb -0.16 -2.50 0.00 0.00 -1.58 0.00 0.00 42.46 38.23 1qya s ILE 116 CO 0.04 0.55 -0.22 -0.44 -1.23 0.00 0.00 174.94 173.63 1qya s SER 117 N -0.17 2.86 -0.03 3.58 0.01 -0.17 -1.21 113.70 118.57 1qya s SER 117 Ca 0.02 -0.51 0.05 0.00 1.31 0.00 0.00 55.95 56.82 1qya s SER 117 Cb -0.13 -1.21 -0.01 0.00 0.21 0.00 0.00 66.02 64.88 1qya s SER 117 CO 0.03 0.15 -0.20 -0.76 0.41 0.00 0.00 173.24 172.88 1qya s LEU 118 N 0.30 1.99 -0.09 2.44 1.43 -0.23 -1.34 118.68 123.18 1qya s LEU 118 Ca -0.16 -0.39 -0.24 0.00 -1.03 0.00 0.00 54.13 52.31 1qya s LEU 118 Cb -0.17 -1.07 -0.03 0.00 0.03 0.00 0.00 46.19 44.95 1qya s LEU 118 CO 0.07 0.21 0.76 -0.70 0.23 0.00 0.00 176.35 176.92 1qya s GLU 119 N -0.20 4.41 0.73 1.70 2.12 -1.26 -1.38 118.70 124.81 1qya s GLU 119 Ca 0.01 0.96 -0.00 0.00 0.36 0.00 0.00 54.97 56.30 1qya s GLU 119 Cb -0.10 -3.48 0.13 0.00 0.26 0.00 0.00 34.13 30.94 1qya s GLU 119 CO 0.01 -0.05 1.00 -0.65 -0.54 0.00 0.00 175.26 175.03 1qya s GLN 120 N 1.16 1.64 0.91 4.30 -0.21 0.43 -4.99 119.66 122.91 1qya s GLN 120 Ca 0.39 -1.19 -0.15 0.00 0.02 0.00 0.00 55.36 54.43 1qya s GLN 120 Cb -0.18 -2.34 0.22 0.00 1.00 0.00 0.00 33.01 31.71 1qya s GLN 120 CO 0.18 -1.47 1.02 0.41 -2.12 0.00 0.00 175.29 173.31 1qya n GLY 121 N -2.83 -2.02 3.71 3.09 0.00 -0.56 -4.67 105.19 101.90 1qya n GLY 121 Ca 0.16 -1.61 -0.42 0.00 0.00 0.00 0.00 46.02 44.15 1qya n GLY 121 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 1qya n THR 122 N -3.96 0.10 -2.09 2.61 -1.04 -1.26 -4.68 114.28 103.96 1qya n THR 122 Ca 0.13 -0.02 -0.41 0.00 -2.04 0.00 0.00 64.05 61.72 1qya n THR 122 Cb 0.49 -2.03 -0.02 0.00 -1.82 0.00 0.00 70.33 66.95 1qya n THR 122 CO 0.00 0.00 0.00 -2.84 -0.64 0.00 0.00 175.07 171.59 1qya s PRO 123 N 1.60 4.34 0.27 -2.82 0.02 -1.26 -4.32 135.00 132.83 1qya s PRO 123 Ca 0.77 2.24 -0.10 0.00 0.02 0.00 0.00 61.00 63.93 1qya s PRO 123 Cb -0.50 -3.07 -0.00 0.00 0.02 0.00 0.00 34.50 30.95 1qya s PRO 123 CO 0.34 -0.22 0.46 0.20 -0.33 0.00 0.00 177.00 177.44 1qya s GLY 124 N -0.38 0.82 0.01 0.52 0.00 -0.54 -5.00 107.32 102.75 1qya s GLY 124 Ca 0.50 -1.09 -0.05 0.00 0.00 0.00 0.00 44.72 44.08 1qya s GLY 124 CO 0.52 -0.77 0.08 -1.36 0.00 0.00 0.00 173.10 171.58 1qya s PHE 125 N -3.76 0.12 0.33 1.90 0.08 -1.26 -1.54 117.98 113.85 1qya s PHE 125 Ca 0.25 -0.28 0.07 0.00 0.12 0.00 0.00 56.93 57.10 1qya s PHE 125 Cb -0.00 -0.10 -0.02 0.00 -0.57 0.00 0.00 43.02 42.33 1qya s PHE 125 CO 0.12 -0.26 0.38 -1.21 -0.10 0.00 0.00 175.22 174.15 1qya s GLU 126 N -1.46 2.95 0.43 0.44 2.02 -0.69 -5.02 118.70 117.37 1qya s GLU 126 Ca -0.15 -1.13 -0.26 0.00 0.02 0.00 0.00 54.97 53.45 1qya s GLU 126 Cb -0.08 -2.66 -0.09 0.00 0.10 0.00 0.00 34.13 31.40 1qya s GLU 126 CO 0.01 0.10 1.40 -2.30 0.02 0.00 0.00 175.26 174.49 1qya n PRO 127 N -1.50 2.24 -1.59 0.39 -0.02 -1.26 -4.55 135.00 128.71 1qya n PRO 127 Ca -0.01 0.80 -0.40 0.00 -2.02 0.00 0.00 63.50 61.86 1qya n PRO 127 Cb 0.59 -2.58 0.03 0.00 -0.02 0.00 0.00 33.50 31.52 1qya n PRO 127 CO 0.00 0.00 0.00 -2.30 1.98 0.00 0.00 175.50 175.18 1qya n PRO 128 N -0.05 1.07 -2.82 0.52 -0.02 -1.26 -4.72 135.00 127.73 1qya n PRO 128 Ca 0.05 0.40 -0.42 0.00 -2.02 0.00 0.00 63.50 61.51 1qya n PRO 128 Cb 0.41 -2.01 -0.04 0.00 -0.02 0.00 0.00 33.50 31.84 1qya n PRO 128 CO 0.00 0.00 0.00 -0.51 1.98 0.00 0.00 175.50 176.97 1qya s LEU 129 N -0.72 4.18 0.00 2.45 1.43 0.82 -5.00 118.68 121.84 1qya s LEU 129 Ca 0.68 1.26 0.03 0.00 -1.03 0.00 0.00 54.13 55.07 1qya s LEU 129 Cb -0.50 -3.33 -0.01 0.00 0.03 0.00 0.00 46.19 42.38 1qya s LEU 129 CO 0.54 -0.44 0.09 -0.62 0.23 0.00 0.00 176.35 176.15 1qya n GLU 130 N 5.33 0.72 0.00 1.70 4.71 -1.26 -4.35 120.64 127.49 1qya n GLU 130 Ca 0.06 -2.98 0.00 0.00 -0.01 0.00 0.00 57.16 54.23 1qya n GLU 130 Cb 0.48 1.40 0.00 0.00 -1.01 0.00 0.00 31.44 32.31 1qya n GLU 130 CO 0.00 0.00 0.00 0.41 0.09 0.00 0.00 177.13 177.63 1qya n GLY 131 N -0.27 2.32 0.36 0.62 0.00 -1.26 -2.76 105.19 104.19 1qya n GLY 131 Ca -0.08 -0.50 0.07 0.00 0.00 0.00 0.00 46.02 45.51 1qya n GLY 131 CO 0.00 0.00 0.00 -2.09 0.00 0.00 0.00 173.32 171.23 1qya h GLU 132 N 0.00 0.75 -0.15 1.61 4.81 -1.99 -2.31 114.58 117.30 1qya h GLU 132 Ca 0.00 -0.04 -0.08 0.00 -0.13 0.00 0.00 59.36 59.11 1qya h GLU 132 Cb 0.00 -0.17 -0.00 0.00 0.63 0.00 0.00 28.75 29.21 1qya h GLU 132 CO 0.00 0.49 -0.21 1.15 -0.73 0.00 0.00 179.01 179.71 1qya h THR 133 N 0.77 1.36 -0.71 0.32 2.02 -1.90 0.08 112.91 114.84 1qya h THR 133 Ca 0.35 -1.43 0.02 0.00 0.77 0.00 0.00 66.41 66.12 1qya h THR 133 Cb 0.36 1.94 -0.04 0.00 -1.74 0.00 0.00 68.15 68.67 1qya h THR 133 CO -0.13 0.42 0.46 -0.09 0.37 0.00 0.00 175.52 176.55 1qya h ARG 134 N 0.02 0.89 -0.62 6.66 2.43 -1.40 -1.86 114.38 120.50 1qya h ARG 134 Ca 0.02 -0.05 -0.07 0.00 -0.81 0.00 0.00 59.98 59.06 1qya h ARG 134 Cb 0.78 -0.20 -0.02 0.00 -0.42 0.00 0.00 29.97 30.10 1qya h ARG 134 CO 0.05 0.59 0.11 0.00 -1.51 0.00 0.00 179.97 179.21 1qya h ALA 135 N 1.28 0.82 -0.03 2.80 0.00 -1.24 -2.26 119.26 120.64 1qya h ALA 135 Ca 0.27 -0.26 -0.15 0.00 0.00 0.00 0.00 54.91 54.78 1qya h ALA 135 Cb -0.04 -0.23 -0.02 0.00 0.00 0.00 0.00 17.79 17.50 1qya h ALA 135 CO -0.08 0.57 -0.67 0.00 0.00 0.00 0.00 179.25 179.06 1qya h ALA 136 N 1.03 0.82 -0.28 0.00 0.00 -0.78 0.17 119.26 120.22 1qya h ALA 136 Ca 0.19 -0.60 -0.05 0.00 0.00 0.00 0.00 54.91 54.45 1qya h ALA 136 Cb 0.42 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.11 1qya h ALA 136 CO 0.01 0.80 -0.02 0.82 0.00 0.00 0.00 179.25 180.86 1qya h ILE 137 N 0.09 1.27 -0.29 0.00 2.04 -1.29 -1.15 117.51 118.17 1qya h ILE 137 Ca -0.01 -0.99 -0.02 0.00 1.00 0.00 0.00 64.86 64.84 1qya h ILE 137 Cb 1.20 1.35 -0.01 0.00 -0.74 0.00 0.00 36.82 38.62 1qya h ILE 137 CO 0.10 0.31 0.10 0.40 0.00 0.00 0.00 178.15 179.06 1qya h ILE 138 N 0.29 1.20 -0.61 -0.67 2.04 -1.16 -2.53 117.51 116.07 1qya h ILE 138 Ca 0.08 -0.62 -0.05 0.00 1.00 0.00 0.00 64.86 65.26 1qya h ILE 138 Cb 0.47 1.06 -0.03 0.00 -0.74 0.00 0.00 36.82 37.59 1qya h ILE 138 CO 0.02 0.21 0.17 0.78 0.00 0.00 0.00 178.15 179.32 1qya h ASN 139 N 0.31 0.87 0.75 1.72 -0.26 -0.68 -2.19 115.58 116.09 1qya h ASN 139 Ca 0.09 -0.16 -0.03 0.00 -0.56 0.00 0.00 56.30 55.64 1qya h ASN 139 Cb 0.23 -0.23 -0.00 0.00 -1.06 0.00 0.00 38.32 37.26 1qya h ASN 139 CO -0.00 0.84 -0.16 0.00 -1.06 0.00 0.00 177.43 177.04 1qya h ALA 140 N 1.28 1.09 -0.01 -0.83 0.00 -1.01 -1.37 119.26 118.41 1qya h ALA 140 Ca 0.20 -0.15 0.00 0.00 0.00 0.00 0.00 54.91 54.96 1qya h ALA 140 Cb 0.30 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.06 1qya h ALA 140 CO -0.00 0.20 -0.01 1.28 0.00 0.00 0.00 179.25 180.72 1qya n LEU 141 N -3.41 1.33 -3.68 0.00 4.77 -0.97 -1.12 117.00 113.92 1qya n LEU 141 Ca -0.00 -0.44 -0.26 0.00 -0.03 0.00 0.00 56.01 55.28 1qya n LEU 141 Cb 0.35 -0.01 0.07 0.00 -2.33 0.00 0.00 43.42 41.50 1qya n LEU 141 CO 0.31 0.22 0.21 1.41 -1.33 0.00 0.00 177.39 178.22 1qya n HIS 142 N 0.02 -2.74 -4.01 -1.77 8.25 -0.52 -4.64 115.22 109.81 1qya n HIS 142 Ca 0.19 0.99 -0.23 0.00 -0.26 0.00 0.00 57.72 58.41 1qya n HIS 142 Cb 0.33 -4.77 -0.01 0.00 1.12 0.00 0.00 29.99 26.66 1qya n HIS 142 CO 0.00 0.00 0.00 1.28 0.64 0.00 0.00 176.34 178.26 1qya n LEU 143 N -4.93 0.00 -4.57 2.41 4.77 -0.86 -5.04 117.00 108.78 1qya n LEU 143 Ca 0.02 -2.47 -0.27 0.00 -0.03 0.00 0.00 56.01 53.26 1qya n LEU 143 Cb 0.55 0.04 -0.09 0.00 -2.33 0.00 0.00 43.42 41.59 1qya n LEU 143 CO 0.68 -0.50 -0.24 0.42 -1.33 0.00 0.00 177.39 176.42 1qya s THR 144 N -2.35 1.03 0.45 -5.08 -4.23 -1.26 -4.37 115.64 99.84 1qya s THR 144 Ca 0.20 -2.00 0.18 0.00 -1.18 0.00 0.00 61.69 58.89 1qya s THR 144 Cb -0.02 -2.49 0.36 0.00 1.34 0.00 0.00 72.50 71.70 1qya s THR 144 CO 0.13 0.00 1.94 -0.33 -0.54 0.00 0.00 174.62 175.82 1qya h GLU 145 N 1.76 0.30 0.00 3.99 4.39 -1.97 -0.86 114.58 122.20 1qya h GLU 145 Ca -0.40 -0.02 0.00 0.00 0.34 0.00 0.00 59.36 59.28 1qya h GLU 145 Cb 1.27 -0.07 0.00 0.00 -0.10 0.00 0.00 28.75 29.85 1qya h GLU 145 CO 0.67 0.20 0.00 0.22 -1.16 0.00 0.00 179.01 178.94 1qya h ASP 146 N 0.31 0.00 0.46 1.42 3.58 -2.03 -2.64 116.42 117.52 1qya h ASP 146 Ca 0.33 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.78 1qya h ASP 146 Cb 0.87 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.92 1qya h ASP 146 CO -0.09 0.00 -0.82 0.47 -2.88 0.00 0.00 179.24 175.92 1qya n ASP 147 N -2.52 0.63 -4.79 2.28 8.00 -0.33 -4.91 116.55 114.91 1qya n ASP 147 Ca -0.02 -0.27 -0.38 0.00 0.71 0.00 0.00 54.79 54.84 1qya n ASP 147 Cb 0.07 0.58 -0.06 0.00 -0.02 0.00 0.00 41.12 41.69 1qya n ASP 147 CO 0.00 0.00 0.00 -0.63 -0.39 0.00 0.00 177.20 176.18 1qya s ILE 148 N -3.11 4.43 0.10 0.53 -1.09 -1.00 -1.21 121.20 119.85 1qya s ILE 148 Ca 0.07 1.56 -0.31 0.00 -2.23 0.00 0.00 60.65 59.74 1qya s ILE 148 Cb 0.15 -4.02 -0.09 0.00 -1.58 0.00 0.00 42.46 36.92 1qya s ILE 148 CO 0.77 0.37 1.74 -0.22 -1.23 0.00 0.00 174.94 176.37 1qya s LEU 149 N -1.55 4.38 0.39 2.97 2.96 -0.26 -4.67 118.68 122.90 1qya s LEU 149 Ca 0.40 2.63 -0.27 0.00 -0.22 0.00 0.00 54.13 56.66 1qya s LEU 149 Cb -0.20 -3.57 -0.11 0.00 0.50 0.00 0.00 46.19 42.82 1qya s LEU 149 CO 0.24 -0.95 1.41 -2.65 -1.32 0.00 0.00 176.35 173.08 1qya n PRO 150 N 5.62 2.40 -1.01 0.98 -0.02 -1.26 -2.90 135.00 138.81 1qya n PRO 150 Ca 0.17 0.85 -0.00 0.00 -2.02 0.00 0.00 63.50 62.49 1qya n PRO 150 Cb 0.39 -2.56 -0.00 0.00 -0.02 0.00 0.00 33.50 31.32 1qya n PRO 150 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1qya n GLY 151 N 0.58 0.35 3.25 -1.23 0.00 -1.26 -5.01 105.19 101.87 1qya n GLY 151 Ca 0.03 -0.02 -0.27 0.00 0.00 0.00 0.00 46.02 45.76 1qya n GLY 151 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1qya s LEU 152 N -0.05 2.10 0.50 0.99 1.43 -1.14 -5.14 118.68 117.37 1qya s LEU 152 Ca 0.00 -0.46 -0.10 0.00 -1.03 0.00 0.00 54.13 52.54 1qya s LEU 152 Cb 0.00 -1.07 -0.05 0.00 0.03 0.00 0.00 46.19 45.09 1qya s LEU 152 CO 0.00 0.22 0.88 -2.16 0.23 0.00 0.00 176.35 175.52 1qya s PRO 153 N -0.84 3.70 -0.16 1.29 0.04 -1.26 -4.84 135.00 132.92 1qya s PRO 153 Ca 0.08 0.55 -0.20 0.00 0.04 0.00 0.00 61.00 61.47 1qya s PRO 153 Cb -0.09 -2.27 -0.03 0.00 0.04 0.00 0.00 34.50 32.16 1qya s PRO 153 CO 0.00 -0.25 0.59 0.42 0.04 0.00 0.00 177.00 177.80 1qya s ILE 154 N -2.72 5.07 -0.26 0.56 1.01 -1.26 -4.54 121.20 119.08 1qya s ILE 154 Ca 0.52 1.15 -0.18 0.00 0.00 0.00 0.00 60.65 62.14 1qya s ILE 154 Cb -0.10 -3.92 0.07 0.00 0.01 0.00 0.00 42.46 38.52 1qya s ILE 154 CO 0.41 0.19 0.65 -1.58 0.00 0.00 0.00 174.94 174.61 1qya s GLN 155 N 1.40 0.70 -0.00 2.79 0.74 -0.82 -0.13 119.66 124.34 1qya s GLN 155 Ca 0.29 1.06 -0.30 0.00 0.05 0.00 0.00 55.36 56.46 1qya s GLN 155 Cb -0.16 0.22 -0.06 0.00 1.10 0.00 0.00 33.01 34.11 1qya s GLN 155 CO 0.12 -0.13 1.48 0.08 -0.55 0.00 0.00 175.29 176.29 1qya s VAL 156 N 1.09 3.59 0.20 1.34 1.01 -1.26 -0.58 120.40 125.78 1qya s VAL 156 Ca -0.06 0.94 0.11 0.00 0.00 0.00 0.00 61.98 62.97 1qya s VAL 156 Cb -0.05 -3.60 -0.04 0.00 0.00 0.00 0.00 36.38 32.68 1qya s VAL 156 CO -0.11 -0.02 -0.22 0.00 0.00 0.00 0.00 175.10 174.75 1qya s ALA 157 N 2.76 2.42 -0.05 5.51 0.00 -0.39 -1.71 121.76 130.30 1qya s ALA 157 Ca 0.67 -1.63 -0.15 0.00 0.00 0.00 0.00 51.96 50.84 1qya s ALA 157 Cb -0.33 -0.28 0.03 0.00 0.00 0.00 0.00 23.12 22.54 1qya s ALA 157 CO 0.27 0.36 0.36 -0.08 0.00 0.00 0.00 175.76 176.67 1qya s THR 158 N -1.89 0.04 -0.15 0.00 -1.32 -0.59 -1.44 115.64 110.29 1qya s THR 158 Ca 0.21 -0.30 0.15 0.00 -1.21 0.00 0.00 61.69 60.53 1qya s THR 158 Cb -0.07 -0.62 0.39 0.00 -1.51 0.00 0.00 72.50 70.69 1qya s THR 158 CO 0.10 -0.17 1.19 0.35 -2.21 0.00 0.00 174.62 173.88 1qya n THR 159 N 1.72 1.65 0.00 5.08 -2.24 -1.26 -1.46 114.28 117.76 1qya n THR 159 Ca -0.19 -2.56 0.00 0.00 -2.27 0.00 0.00 64.05 59.03 1qya n THR 159 Cb 0.56 0.03 0.00 0.00 -2.10 0.00 0.00 70.33 68.83 1qya n THR 159 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1qya n GLY 160 N -0.80 4.33 2.73 3.38 0.00 -1.26 -1.50 105.19 112.07 1qya n GLY 160 Ca 0.15 -0.74 -0.29 0.00 0.00 0.00 0.00 46.02 45.14 1qya n GLY 160 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 1qya s HIS 161 N -0.01 1.46 0.50 1.61 3.76 -1.26 -5.12 115.29 116.23 1qya s HIS 161 Ca 0.00 -1.42 -0.20 0.00 -0.15 0.00 0.00 55.06 53.29 1qya s HIS 161 Cb 0.00 -1.45 -0.07 0.00 1.11 0.00 0.00 32.58 32.17 1qya s HIS 161 CO 0.00 -0.79 1.09 -1.54 -0.85 0.00 0.00 174.74 172.65 1qya s SER 162 N 1.71 6.07 -0.01 1.40 1.04 -1.26 -4.80 113.70 117.85 1qya s SER 162 Ca 0.06 2.07 -0.06 0.00 0.48 0.00 0.00 55.95 58.50 1qya s SER 162 Cb -0.17 -2.57 0.00 0.00 0.10 0.00 0.00 66.02 63.38 1qya s SER 162 CO -0.20 -0.97 0.13 -0.54 0.98 0.00 0.00 173.24 172.64 1qya s LYS 163 N -3.17 0.41 -0.35 4.02 -0.14 -0.52 -4.44 119.74 115.53 1qya s LYS 163 Ca 0.69 -0.27 -0.27 0.00 -1.36 0.00 0.00 55.97 54.76 1qya s LYS 163 Cb -0.21 0.17 0.02 0.00 -1.68 0.00 0.00 37.83 36.13 1qya s LYS 163 CO 0.25 -0.09 0.98 0.08 -0.76 0.00 0.00 175.35 175.81 1qya s VAL 164 N -1.06 4.55 -0.13 3.17 1.01 -0.40 -1.26 120.40 126.28 1qya s VAL 164 Ca -0.11 1.40 -0.29 0.00 0.00 0.00 0.00 61.98 62.97 1qya s VAL 164 Cb -0.06 -4.37 -0.01 0.00 0.00 0.00 0.00 36.38 31.94 1qya s VAL 164 CO 0.01 -0.53 1.03 -0.04 0.00 0.00 0.00 175.10 175.58 1qya s MET 165 N 3.57 4.38 -0.42 2.72 1.00 0.25 -0.21 119.30 130.58 1qya s MET 165 Ca 0.41 1.41 0.02 0.00 0.00 0.00 0.00 55.69 57.54 1qya s MET 165 Cb -0.12 -3.57 0.12 0.00 0.00 0.00 0.00 34.83 31.26 1qya s MET 165 CO 0.18 -0.40 0.19 0.42 0.00 0.00 0.00 175.02 175.40 1qya s ILE 166 N 2.33 1.77 -0.28 2.53 1.01 -0.95 -1.94 121.20 125.67 1qya s ILE 166 Ca 0.48 -2.52 -0.29 0.00 0.00 0.00 0.00 60.65 58.32 1qya s ILE 166 Cb -0.18 -2.26 0.00 0.00 0.01 0.00 0.00 42.46 40.04 1qya s ILE 166 CO 0.15 -0.78 1.19 -2.16 0.00 0.00 0.00 174.94 173.34 1qya s PRO 167 N 0.50 4.06 0.12 2.79 0.04 -1.26 -1.89 135.00 139.36 1qya s PRO 167 Ca 0.15 1.27 0.04 0.00 0.04 0.00 0.00 61.00 62.50 1qya s PRO 167 Cb -0.23 -3.78 -0.04 0.00 0.04 0.00 0.00 34.50 30.49 1qya s PRO 167 CO -0.05 -0.92 0.14 -0.51 0.04 0.00 0.00 177.00 175.69 1qya s LEU 168 N 3.85 3.91 0.56 -3.56 1.43 0.79 -1.10 118.68 124.55 1qya s LEU 168 Ca 0.51 -0.02 -0.19 0.00 -1.03 0.00 0.00 54.13 53.39 1qya s LEU 168 Cb -0.16 -2.54 -0.05 0.00 0.03 0.00 0.00 46.19 43.48 1qya s LEU 168 CO 0.17 0.11 1.19 -0.54 0.23 0.00 0.00 176.35 177.51 1qya s LYS 169 N -2.82 3.16 0.62 1.70 1.02 -0.35 -4.41 119.74 118.66 1qya s LYS 169 Ca 0.31 1.78 0.39 0.00 0.02 0.00 0.00 55.97 58.47 1qya s LYS 169 Cb -0.11 -2.01 2.04 0.00 -0.52 0.00 0.00 37.83 37.23 1qya s LYS 169 CO 0.24 -1.04 2.25 -1.00 -0.92 0.00 0.00 175.35 174.88 1qya h PRO 170 N 1.11 0.00 0.00 -1.68 0.13 -1.91 -2.68 132.00 126.96 1qya h PRO 170 Ca -0.50 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.63 1qya h PRO 170 Cb 1.28 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.41 1qya h PRO 170 CO 0.56 0.02 0.00 0.93 -0.23 0.00 0.00 178.00 179.28 1qya h GLU 171 N 0.00 0.00 -6.65 0.86 3.07 -1.96 -3.45 114.58 106.46 1qya h GLU 171 Ca -0.00 0.00 -0.52 0.00 -0.50 0.00 0.00 59.36 58.34 1qya h GLU 171 Cb 0.13 0.00 0.02 0.00 -0.84 0.00 0.00 28.75 28.07 1qya h GLU 171 CO 0.00 0.00 0.61 0.08 -1.40 0.00 0.00 179.01 178.30 1qya s VAL 172 N -3.23 3.43 -1.04 3.13 1.01 -1.01 -4.95 120.40 117.73 1qya s VAL 172 Ca 0.07 1.16 -0.21 0.00 0.00 0.00 0.00 61.98 63.01 1qya s VAL 172 Cb 0.10 -3.74 0.08 0.00 0.00 0.00 0.00 36.38 32.83 1qya s VAL 172 CO 0.51 0.17 1.40 -0.62 0.00 0.00 0.00 175.10 176.56 1qya s ASP 173 N 0.36 6.61 0.34 3.32 -1.08 -1.26 -4.86 116.67 120.10 1qya s ASP 173 Ca 0.56 -1.84 0.05 0.00 -0.52 0.00 0.00 52.55 50.79 1qya s ASP 173 Cb -0.34 -2.51 0.61 0.00 -1.46 0.00 0.00 42.92 39.22 1qya s ASP 173 CO 0.36 -1.29 1.88 -0.29 0.52 0.00 0.00 175.17 176.35 1qya h ILE 174 N 6.24 1.20 0.00 4.11 2.10 -1.94 -2.64 117.51 126.58 1qya h ILE 174 Ca 0.23 -0.78 -0.01 0.00 1.08 0.00 0.00 64.86 65.37 1qya h ILE 174 Cb 0.99 0.96 -0.00 0.00 -1.09 0.00 0.00 36.82 37.67 1qya h ILE 174 CO 1.33 0.27 -0.07 0.44 -1.08 0.00 0.00 178.15 179.04 1qya h ASP 175 N 0.49 0.00 0.28 2.19 5.19 -1.99 -2.49 116.42 120.08 1qya h ASP 175 Ca 0.11 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.52 1qya h ASP 175 Cb 0.33 0.00 0.00 0.00 0.18 0.00 0.00 39.33 39.84 1qya h ASP 175 CO 0.01 0.07 -0.23 0.00 -3.12 0.00 0.00 179.24 175.97 1qya n ALA 176 N -2.21 3.01 -1.74 3.45 0.00 -0.99 -4.86 120.51 117.15 1qya n ALA 176 Ca -0.02 -0.37 -0.42 0.00 0.00 0.00 0.00 53.44 52.63 1qya n ALA 176 Cb 0.20 -1.18 -0.03 0.00 0.00 0.00 0.00 19.45 18.44 1qya n ALA 176 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 1qya s LEU 177 N -2.51 4.37 -0.43 0.00 1.43 -0.94 -4.95 118.68 115.65 1qya s LEU 177 Ca 0.25 2.87 0.02 0.00 -1.03 0.00 0.00 54.13 56.24 1qya s LEU 177 Cb 0.19 -3.61 0.14 0.00 0.03 0.00 0.00 46.19 42.95 1qya s LEU 177 CO 0.51 -0.96 0.26 -0.55 0.23 0.00 0.00 176.35 175.85 1qya s SER 178 N 1.07 3.25 0.57 2.29 0.15 -1.26 -5.12 113.70 114.65 1qya s SER 178 Ca 0.73 -2.64 -0.19 0.00 0.70 0.00 0.00 55.95 54.55 1qya s SER 178 Cb -0.49 -0.82 -0.04 0.00 -1.71 0.00 0.00 66.02 62.95 1qya s SER 178 CO 0.35 -0.25 1.18 -2.84 1.20 0.00 0.00 173.24 172.87 1qya s PRO 179 N 0.40 3.12 -0.74 5.44 0.02 -1.26 -4.85 135.00 137.13 1qya s PRO 179 Ca 0.20 1.75 -0.26 0.00 0.02 0.00 0.00 61.00 62.71 1qya s PRO 179 Cb -0.19 -1.96 -0.02 0.00 0.02 0.00 0.00 34.50 32.35 1qya s PRO 179 CO -0.03 -1.07 1.80 0.34 -0.33 0.00 0.00 177.00 177.71 1qya s ASP 180 N -1.66 5.40 0.29 2.53 -1.08 -0.27 -4.88 116.67 117.01 1qya s ASP 180 Ca 0.76 -0.17 0.06 0.00 -0.52 0.00 0.00 52.55 52.67 1qya s ASP 180 Cb -0.28 -2.54 0.45 0.00 -1.46 0.00 0.00 42.92 39.09 1qya s ASP 180 CO 0.31 -2.38 1.70 -0.07 0.52 0.00 0.00 175.17 175.25 1qya h LEU 181 N 16.28 0.29 -0.73 -1.34 3.38 -1.92 -2.34 115.31 128.93 1qya h LEU 181 Ca -0.12 -0.12 -0.06 0.00 0.09 0.00 0.00 57.88 57.67 1qya h LEU 181 Cb 1.09 -0.08 -0.03 0.00 0.09 0.00 0.00 40.66 41.73 1qya h LEU 181 CO 1.24 0.66 0.23 0.78 0.09 0.00 0.00 178.44 181.43 1qya h ASN 182 N 0.24 1.07 -0.03 -0.43 2.35 -1.99 -1.95 115.58 114.84 1qya h ASN 182 Ca 0.02 -0.21 -0.12 0.00 -0.55 0.00 0.00 56.30 55.45 1qya h ASN 182 Cb 0.79 -0.28 -0.01 0.00 0.05 0.00 0.00 38.32 38.87 1qya h ASN 182 CO 0.06 0.99 -0.34 0.00 -1.65 0.00 0.00 177.43 176.50 1qya h ALA 183 N 1.12 0.97 -0.18 -0.83 0.00 -1.85 -2.21 119.26 116.27 1qya h ALA 183 Ca 0.24 -0.40 -0.02 0.00 0.00 0.00 0.00 54.91 54.73 1qya h ALA 183 Cb 0.30 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 17.97 1qya h ALA 183 CO -0.01 0.61 0.04 -0.07 0.00 0.00 0.00 179.25 179.82 1qya h LEU 184 N 0.44 0.28 -0.62 0.00 3.38 -1.32 -1.94 115.31 115.52 1qya h LEU 184 Ca 0.05 -0.24 0.08 0.00 0.09 0.00 0.00 57.88 57.86 1qya h LEU 184 Cb 0.80 -0.07 -0.07 0.00 0.09 0.00 0.00 40.66 41.41 1qya h LEU 184 CO 0.07 0.45 0.28 0.74 0.09 0.00 0.00 178.44 180.06 1qya h THR 185 N 0.10 0.84 -0.86 0.22 2.02 -1.22 0.51 112.91 114.51 1qya h THR 185 Ca 0.06 -0.17 -0.03 0.00 0.77 0.00 0.00 66.41 67.04 1qya h THR 185 Cb 0.28 0.30 -0.04 0.00 -1.74 0.00 0.00 68.15 66.95 1qya h THR 185 CO 0.00 0.09 0.44 0.00 0.37 0.00 0.00 175.52 176.42 1qya h ALA 186 N 1.39 1.15 -0.52 6.16 0.00 -1.34 -1.85 119.26 124.25 1qya h ALA 186 Ca 0.30 -0.15 -0.12 0.00 0.00 0.00 0.00 54.91 54.95 1qya h ALA 186 Cb 0.32 -0.34 -0.02 0.00 0.00 0.00 0.00 17.79 17.76 1qya h ALA 186 CO -0.26 0.66 -0.13 0.82 0.00 0.00 0.00 179.25 180.34 1qya h ILE 187 N 1.22 1.27 -1.00 0.00 2.04 -0.75 -2.38 117.51 117.91 1qya h ILE 187 Ca 0.30 -1.29 0.04 0.00 1.00 0.00 0.00 64.86 64.91 1qya h ILE 187 Cb 0.08 1.01 -0.06 0.00 -0.74 0.00 0.00 36.82 37.12 1qya h ILE 187 CO -0.04 0.45 0.65 0.28 0.00 0.00 0.00 178.15 179.49 1qya h SER 188 N 0.88 1.08 -0.38 1.72 0.02 -0.48 -0.84 113.55 115.56 1qya h SER 188 Ca 0.13 -0.01 -0.04 0.00 -0.84 0.00 0.00 61.79 61.04 1qya h SER 188 Cb 0.70 -0.24 -0.02 0.00 0.14 0.00 0.00 62.40 62.98 1qya h SER 188 CO 0.05 0.73 0.09 0.11 -1.14 0.00 0.00 176.83 176.67 1qya h LYS 189 N 1.25 0.61 -0.44 3.45 1.57 -1.14 -1.44 116.57 120.43 1qya h LYS 189 Ca 0.40 -0.15 -0.07 0.00 -1.87 0.00 0.00 60.65 58.96 1qya h LYS 189 Cb 0.03 -0.08 -0.02 0.00 0.08 0.00 0.00 32.23 32.24 1qya h LYS 189 CO -0.13 0.65 -0.00 -0.22 -0.57 0.00 0.00 179.45 179.17 1qya h LYS 190 N 0.47 0.78 -0.01 3.15 1.63 -0.97 -3.31 116.57 118.31 1qya h LYS 190 Ca 0.12 -0.25 0.00 0.00 -0.85 0.00 0.00 60.65 59.67 1qya h LYS 190 Cb 0.31 -0.07 0.00 0.00 -0.60 0.00 0.00 32.23 31.87 1qya h LYS 190 CO 0.00 0.85 -0.61 0.44 -3.45 0.00 0.00 179.45 176.68 1qya n ILE 191 N -4.39 0.00 -2.78 2.00 -5.35 -0.36 -4.98 119.36 103.50 1qya n ILE 191 Ca -0.00 -0.13 -0.11 0.00 -0.27 0.00 0.00 62.75 62.23 1qya n ILE 191 Cb 0.30 0.95 0.03 0.00 -1.74 0.00 0.00 39.64 39.18 1qya n ILE 191 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 1qya n GLY 192 N 1.44 0.14 2.83 3.28 0.00 -0.55 -5.05 105.19 107.28 1qya n GLY 192 Ca 0.08 -0.30 -0.16 0.00 0.00 0.00 0.00 46.02 45.64 1qya n GLY 192 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1qya n ASN 194 N 4.69 2.77 -3.90 0.00 3.02 -1.26 -4.31 115.26 116.27 1qya n ASN 194 Ca -0.17 -1.90 -0.16 0.00 -0.03 0.00 0.00 54.58 52.32 1qya n ASN 194 Cb 0.51 -0.06 -0.15 0.00 -0.61 0.00 0.00 39.78 39.46 1qya n ASN 194 CO 0.00 0.00 0.00 -0.83 -2.62 0.00 0.00 177.26 173.81 1qya s GLY 195 N -1.86 0.24 -0.10 7.41 0.00 -1.26 -4.36 107.32 107.39 1qya s GLY 195 Ca 0.32 -0.06 0.02 0.00 0.00 0.00 0.00 44.72 45.01 1qya s GLY 195 CO 0.31 0.14 -0.18 -1.36 0.00 0.00 0.00 173.10 172.01 1qya s PHE 196 N 0.35 2.67 -0.56 1.90 0.40 0.68 -1.27 117.98 122.15 1qya s PHE 196 Ca -0.04 -0.64 0.05 0.00 -0.60 0.00 0.00 56.93 55.70 1qya s PHE 196 Cb -0.07 -1.73 0.19 0.00 0.51 0.00 0.00 43.02 41.92 1qya s PHE 196 CO -0.01 -0.18 0.49 0.34 0.70 0.00 0.00 175.22 176.56 1qya n PHE 197 N 3.19 1.52 -2.09 0.36 7.35 0.71 -0.81 117.46 127.68 1qya n PHE 197 Ca -0.18 -3.87 -0.41 0.00 -0.76 0.00 0.00 57.45 52.22 1qya n PHE 197 Cb 0.53 -0.29 -0.03 0.00 0.35 0.00 0.00 39.48 40.04 1qya n PHE 197 CO 0.00 0.00 0.00 -1.25 -0.76 0.00 0.00 176.76 174.75 1qya s PRO 198 N -1.09 4.31 0.15 -7.13 0.04 -1.18 -2.24 135.00 127.87 1qya s PRO 198 Ca 0.31 2.20 -0.09 0.00 0.04 0.00 0.00 61.00 63.46 1qya s PRO 198 Cb 0.04 -3.15 -0.01 0.00 0.04 0.00 0.00 34.50 31.42 1qya s PRO 198 CO -0.15 -0.38 0.27 -0.59 0.04 0.00 0.00 177.00 176.19 1qya s PHE 199 N 0.20 0.36 0.04 0.56 -0.71 -0.79 -1.85 117.98 115.79 1qya s PHE 199 Ca 0.60 -0.74 -0.01 0.00 -1.04 0.00 0.00 56.93 55.74 1qya s PHE 199 Cb -0.40 -0.06 -0.03 0.00 -1.21 0.00 0.00 43.02 41.32 1qya s PHE 199 CO 0.40 -0.69 -0.03 1.14 -1.34 0.00 0.00 175.22 174.69 1qya s GLN 200 N -3.95 0.52 -0.17 1.99 -2.07 -0.09 -0.15 119.66 115.74 1qya s GLN 200 Ca 0.15 -1.03 -0.07 0.00 -1.82 0.00 0.00 55.36 52.59 1qya s GLN 200 Cb 0.04 0.17 -0.04 0.00 -1.09 0.00 0.00 33.01 32.09 1qya s GLN 200 CO -0.02 -0.09 0.07 0.42 -1.32 0.00 0.00 175.29 174.35 1qya s ILE 201 N -3.14 4.87 -0.01 3.63 1.01 -1.26 -1.35 121.20 124.96 1qya s ILE 201 Ca -0.00 -0.01 -0.30 0.00 0.00 0.00 0.00 60.65 60.34 1qya s ILE 201 Cb 0.02 -3.19 -0.06 0.00 0.01 0.00 0.00 42.46 39.24 1qya s ILE 201 CO -0.07 0.48 1.59 -0.13 0.00 0.00 0.00 174.94 176.80 1qya s ARG 202 N 0.20 4.21 0.12 2.79 0.52 0.03 -4.69 118.95 122.13 1qya s ARG 202 Ca 0.05 2.17 -0.34 0.00 -0.52 0.00 0.00 55.73 57.08 1qya s ARG 202 Cb -0.12 -3.77 -0.14 0.00 0.52 0.00 0.00 34.95 31.44 1qya s ARG 202 CO 0.00 -0.75 1.58 -2.30 0.02 0.00 0.00 175.30 173.86 1qya n PRO 203 N 6.27 2.01 -1.09 3.54 -0.02 -1.26 -1.84 135.00 142.61 1qya n PRO 203 Ca 0.16 0.73 -0.03 0.00 -2.02 0.00 0.00 63.50 62.33 1qya n PRO 203 Cb 0.42 -2.49 -0.01 0.00 -0.02 0.00 0.00 33.50 31.40 1qya n PRO 203 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1qya n GLY 204 N 3.43 0.58 3.08 -1.23 0.00 -1.26 -5.02 105.19 104.77 1qya n GLY 204 Ca 0.18 -0.26 -0.13 0.00 0.00 0.00 0.00 46.02 45.81 1qya n GLY 204 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1qya s LYS 205 N -1.52 0.58 -1.36 1.61 1.02 -0.77 -5.05 119.74 114.25 1qya s LYS 205 Ca 0.00 -0.82 -0.10 0.00 0.02 0.00 0.00 55.97 55.07 1qya s LYS 205 Cb 0.00 -0.33 0.11 0.00 -0.52 0.00 0.00 37.83 37.09 1qya s LYS 205 CO 0.00 0.06 2.13 0.09 -0.92 0.00 0.00 175.35 176.71 1qya n ASN 206 N 1.32 5.55 -3.70 2.83 3.02 -1.26 -4.51 115.26 118.52 1qya n ASN 206 Ca -0.22 -3.00 -0.14 0.00 -0.03 0.00 0.00 54.58 51.18 1qya n ASN 206 Cb 0.55 -1.51 -0.08 0.00 -0.61 0.00 0.00 39.78 38.13 1qya n ASN 206 CO 0.00 0.00 0.00 -1.61 -2.62 0.00 0.00 177.26 173.03 1qya s GLU 207 N 0.98 0.72 0.07 3.52 2.02 -1.26 -1.67 118.70 123.07 1qya s GLU 207 Ca 0.46 0.13 0.01 0.00 0.02 0.00 0.00 54.97 55.59 1qya s GLU 207 Cb 0.13 0.33 -0.04 0.00 0.10 0.00 0.00 34.13 34.65 1qya s GLU 207 CO -0.04 -0.18 -0.06 0.95 0.02 0.00 0.00 175.26 175.95 1qya s THR 208 N -0.88 0.48 -0.07 3.63 -4.23 -0.63 -0.79 115.64 113.16 1qya s THR 208 Ca -0.09 -1.64 0.03 0.00 -1.18 0.00 0.00 61.69 58.81 1qya s THR 208 Cb -0.04 -1.30 0.00 0.00 1.34 0.00 0.00 72.50 72.51 1qya s THR 208 CO 0.05 -0.78 -0.18 -1.81 -0.54 0.00 0.00 174.62 171.36 1qya s ASP 209 N -2.58 2.33 0.15 3.99 1.11 -0.46 -0.12 116.67 121.10 1qya s ASP 209 Ca 0.04 -0.40 -0.01 0.00 0.18 0.00 0.00 52.55 52.36 1qya s ASP 209 Cb 0.02 -0.97 -0.04 0.00 1.07 0.00 0.00 42.92 43.00 1qya s ASP 209 CO -0.05 0.11 0.07 -0.83 1.18 0.00 0.00 175.17 175.65 1qya s GLY 210 N 0.39 1.13 -0.05 0.21 0.00 -0.52 -0.91 107.32 107.58 1qya s GLY 210 Ca -0.13 -1.54 -0.03 0.00 0.00 0.00 0.00 44.72 43.01 1qya s GLY 210 CO 0.05 -1.40 0.12 0.50 0.00 0.00 0.00 173.10 172.37 1qya s ARG 211 N -4.06 0.11 -0.28 2.90 0.52 -0.77 -3.91 118.95 113.47 1qya s ARG 211 Ca 0.28 0.20 -0.00 0.00 -0.52 0.00 0.00 55.73 55.69 1qya s ARG 211 Cb 0.07 -0.00 0.05 0.00 0.52 0.00 0.00 34.95 35.59 1qya s ARG 211 CO 0.04 -0.05 -0.04 1.41 0.02 0.00 0.00 175.30 176.68 1qya s MET 212 N 0.35 2.42 -0.20 3.54 1.75 -1.26 -3.07 119.30 122.82 1qya s MET 212 Ca -0.02 -1.26 -0.07 0.00 -1.25 0.00 0.00 55.69 53.08 1qya s MET 212 Cb -0.04 -3.07 -0.04 0.00 2.84 0.00 0.00 34.83 34.52 1qya s MET 212 CO -0.01 -0.58 0.07 -0.06 -0.65 0.00 0.00 175.02 173.78 1qya s PHE 213 N 1.22 3.19 -0.34 4.11 0.08 0.01 -2.26 117.98 123.99 1qya s PHE 213 Ca -0.06 -0.06 0.16 0.00 0.12 0.00 0.00 56.93 57.09 1qya s PHE 213 Cb -0.19 -2.13 0.44 0.00 -0.57 0.00 0.00 43.02 40.56 1qya s PHE 213 CO -0.03 -0.00 0.92 -1.13 -0.10 0.00 0.00 175.22 174.88 1qya n SER 214 N 3.98 1.53 0.32 1.36 3.41 -0.98 -0.23 113.62 123.01 1qya n SER 214 Ca -0.16 -2.82 0.20 0.00 -0.26 0.00 0.00 58.87 55.83 1qya n SER 214 Cb 0.52 -0.54 1.11 0.00 -0.26 0.00 0.00 64.21 65.03 1qya n SER 214 CO 0.00 0.00 0.00 1.55 -0.16 0.00 0.00 175.04 176.43 1qya h PRO 215 N 2.98 0.00 0.00 4.33 0.13 -1.72 -2.13 132.00 135.58 1qya h PRO 215 Ca -0.05 0.00 -0.03 0.00 -0.87 0.00 0.00 66.00 65.05 1qya h PRO 215 Cb 1.13 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.25 1qya h PRO 215 CO 0.52 0.00 -0.16 0.00 -0.23 0.00 0.00 178.00 178.13 1qya h ALA 216 N 1.98 1.25 -0.45 -0.56 0.00 -1.87 -2.39 119.26 117.21 1qya h ALA 216 Ca 0.00 -0.15 -0.16 0.00 0.00 0.00 0.00 54.91 54.60 1qya h ALA 216 Cb 0.03 -0.03 -0.10 0.00 0.00 0.00 0.00 17.79 17.69 1qya h ALA 216 CO -0.00 0.21 0.08 0.44 0.00 0.00 0.00 179.25 179.98 1qya n ILE 217 N -3.65 2.60 -1.00 0.00 -5.35 -0.81 -4.97 119.36 106.19 1qya n ILE 217 Ca -0.01 -2.20 0.00 0.00 -0.27 0.00 0.00 62.75 60.27 1qya n ILE 217 Cb 0.29 -0.32 0.00 0.00 -1.74 0.00 0.00 39.64 37.87 1qya n ILE 217 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 1qya n GLY 218 N -0.77 0.92 3.17 3.28 0.00 -0.90 -4.99 105.19 105.91 1qya n GLY 218 Ca 0.33 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.99 1qya n GLY 218 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1qya s ILE 219 N -3.70 3.32 0.05 -0.61 -1.09 -1.21 -4.99 121.20 112.96 1qya s ILE 219 Ca 0.00 -1.61 -0.26 0.00 -2.23 0.00 0.00 60.65 56.55 1qya s ILE 219 Cb 0.00 -3.06 -0.17 0.00 -1.58 0.00 0.00 42.46 37.65 1qya s ILE 219 CO 0.00 -0.38 1.50 0.58 -1.23 0.00 0.00 174.94 175.41 1qya h VAL 220 N 6.35 0.85 -3.18 2.92 2.07 -1.90 -2.82 116.25 120.54 1qya h VAL 220 Ca -0.18 -0.35 -0.24 0.00 0.82 0.00 0.00 66.70 66.75 1qya h VAL 220 Cb 1.06 1.05 -0.32 0.00 -1.52 0.00 0.00 31.29 31.57 1qya h VAL 220 CO 0.62 0.08 -0.58 -0.70 0.02 0.00 0.00 177.57 177.02 1qya s GLU 221 N -5.42 0.11 -0.06 1.57 2.12 -1.26 -2.32 118.70 113.44 1qya s GLU 221 Ca -0.15 0.44 -0.16 0.00 0.36 0.00 0.00 54.97 55.46 1qya s GLU 221 Cb 0.04 -0.18 -0.05 0.00 0.26 0.00 0.00 34.13 34.20 1qya s GLU 221 CO 0.62 -0.19 0.42 0.34 -0.54 0.00 0.00 175.26 175.92 1qya s ASP 222 N 1.36 6.73 0.05 -1.70 2.15 -0.96 -5.03 116.67 119.27 1qya s ASP 222 Ca -0.08 0.86 -0.25 0.00 0.43 0.00 0.00 52.55 53.52 1qya s ASP 222 Cb -0.11 -2.26 -0.17 0.00 -0.30 0.00 0.00 42.92 40.08 1qya s ASP 222 CO -0.07 0.19 1.53 -0.65 -0.17 0.00 0.00 175.17 176.01 1qya h PRO 223 N 5.61 -0.20 -2.66 4.34 0.11 -1.90 -3.40 132.00 133.90 1qya h PRO 223 Ca -0.47 0.01 -0.25 0.00 0.11 0.00 0.00 66.00 65.40 1qya h PRO 223 Cb 1.20 0.05 -0.34 0.00 0.11 0.00 0.00 31.00 32.02 1qya h PRO 223 CO 0.68 0.00 -0.57 0.08 -0.21 0.00 0.00 178.00 177.98 1qya s VAL 224 N -5.49 -0.39 -0.33 3.15 1.01 -1.26 -2.45 120.40 114.65 1qya s VAL 224 Ca -0.14 0.10 0.03 0.00 0.00 0.00 0.00 61.98 61.97 1qya s VAL 224 Cb 0.04 -0.56 0.10 0.00 0.00 0.00 0.00 36.38 35.96 1qya s VAL 224 CO 0.64 -0.02 0.04 -0.89 0.00 0.00 0.00 175.10 174.86 1qya s THR 225 N 2.39 2.03 0.38 3.92 2.01 -1.26 -4.88 115.64 120.23 1qya s THR 225 Ca 0.05 -2.11 0.13 0.00 0.31 0.00 0.00 61.69 60.07 1qya s THR 225 Cb -0.14 -2.47 0.35 0.00 0.01 0.00 0.00 72.50 70.25 1qya s THR 225 CO -0.10 -0.55 1.86 1.23 -0.69 0.00 0.00 174.62 176.37 1qya h GLY 226 N 7.71 1.07 2.00 4.40 0.00 -1.99 -1.66 103.07 114.61 1qya h GLY 226 Ca -0.07 -0.25 0.00 0.00 0.00 0.00 0.00 47.33 47.01 1qya h GLY 226 CO 0.50 0.04 0.00 0.70 0.00 0.00 0.00 176.54 177.78 1qya n ASN 227 N -4.55 0.09 -0.13 0.19 5.03 -1.26 -1.58 115.26 113.05 1qya n ASN 227 Ca 0.18 0.52 -0.26 0.00 0.87 0.00 0.00 54.58 55.89 1qya n ASN 227 Cb 0.57 -0.54 -0.11 0.00 -1.02 0.00 0.00 39.78 38.69 1qya n ASN 227 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.26 175.43 1qya n ALA 228 N -1.53 1.27 0.09 5.41 0.00 -0.69 -4.50 120.51 120.57 1qya n ALA 228 Ca 0.05 -1.10 0.00 0.00 0.00 0.00 0.00 53.44 52.39 1qya n ALA 228 Cb 0.24 0.04 0.31 0.00 0.00 0.00 0.00 19.45 20.03 1qya n ALA 228 CO 0.00 0.00 0.00 -0.91 0.00 0.00 0.00 177.50 176.59 1qya h ASN 229 N -0.64 0.27 0.31 0.00 2.35 -1.37 -1.90 115.58 114.60 1qya h ASN 229 Ca -0.66 -0.08 -0.02 0.00 -0.55 0.00 0.00 56.30 55.00 1qya h ASN 229 Cb 1.72 -0.07 0.00 0.00 0.05 0.00 0.00 38.32 40.02 1qya h ASN 229 CO -0.30 0.51 -0.15 1.23 -1.65 0.00 0.00 177.43 177.07 1qya h GLY 230 N 0.94 -0.43 1.63 2.83 0.00 -1.55 -1.93 103.07 104.56 1qya h GLY 230 Ca 0.04 0.16 0.03 0.00 0.00 0.00 0.00 47.33 47.56 1qya h GLY 230 CO 0.04 -0.16 0.19 -2.55 0.00 0.00 0.00 176.54 174.06 1qya h PRO 231 N -0.71 0.26 -0.15 4.80 0.11 -1.78 -2.26 132.00 132.27 1qya h PRO 231 Ca -0.04 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 66.06 1qya h PRO 231 Cb 0.49 -0.06 -0.01 0.00 0.11 0.00 0.00 31.00 31.53 1qya h PRO 231 CO 0.07 0.17 0.09 1.98 -0.21 0.00 0.00 178.00 180.10 1qya h MET 232 N 0.27 0.18 -0.29 1.05 1.85 -1.09 -0.11 114.93 116.78 1qya h MET 232 Ca 0.12 -0.01 0.04 0.00 -0.61 0.00 0.00 59.70 59.24 1qya h MET 232 Cb 0.14 -0.04 -0.04 0.00 0.43 0.00 0.00 31.60 32.09 1qya h MET 232 CO -0.02 0.12 0.06 0.78 -0.40 0.00 0.00 176.91 177.45 1qya h GLY 233 N 0.19 0.34 0.91 1.39 0.00 -0.80 0.52 103.07 105.62 1qya h GLY 233 Ca 0.06 -0.02 0.03 0.00 0.00 0.00 0.00 47.33 47.39 1qya h GLY 233 CO -0.02 -0.01 0.57 0.00 0.00 0.00 0.00 176.54 177.08 1qya h ALA 234 N 1.22 1.15 -0.60 3.60 0.00 -1.19 -2.59 119.26 120.83 1qya h ALA 234 Ca 0.14 -0.04 -0.10 0.00 0.00 0.00 0.00 54.91 54.91 1qya h ALA 234 Cb 0.14 -0.32 -0.02 0.00 0.00 0.00 0.00 17.79 17.59 1qya h ALA 234 CO -0.18 0.44 -0.00 2.35 0.00 0.00 0.00 179.25 181.86 1qya h TRP 235 N 1.12 1.16 -0.52 0.00 7.01 -0.19 -0.73 115.95 123.80 1qya h TRP 235 Ca 0.34 -0.20 -0.02 0.00 2.11 0.00 0.00 58.89 61.12 1qya h TRP 235 Cb -0.03 -0.30 -0.03 0.00 -2.10 0.00 0.00 29.16 26.70 1qya h TRP 235 CO -0.02 1.02 0.23 -0.07 -2.79 0.00 0.00 178.44 176.81 1qya h LEU 236 N 0.97 0.66 -0.05 0.65 3.38 -0.65 -1.12 115.31 119.15 1qya h LEU 236 Ca 0.17 -0.07 -0.07 0.00 0.09 0.00 0.00 57.88 58.00 1qya h LEU 236 Cb 0.56 -0.17 0.00 0.00 0.09 0.00 0.00 40.66 41.15 1qya h LEU 236 CO 0.03 0.58 -0.24 0.58 0.09 0.00 0.00 178.44 179.49 1qya h VAL 237 N 0.73 1.45 -0.49 1.22 2.07 -1.07 -0.36 116.25 119.81 1qya h VAL 237 Ca 0.18 -1.69 0.04 0.00 0.82 0.00 0.00 66.70 66.05 1qya h VAL 237 Cb 0.11 2.40 -0.03 0.00 -1.52 0.00 0.00 31.29 32.26 1qya h VAL 237 CO -0.02 0.47 0.33 -0.74 0.02 0.00 0.00 177.57 177.63 1qya h HIS 238 N -0.29 0.51 -0.58 1.57 -0.00 -0.84 -0.64 115.15 114.88 1qya h HIS 238 Ca -0.02 0.01 0.00 0.00 -0.00 0.00 0.00 60.37 60.37 1qya h HIS 238 Cb 0.89 -0.17 0.00 0.00 -0.00 0.00 0.00 27.41 28.13 1qya h HIS 238 CO 0.14 0.30 0.00 0.72 -0.00 0.00 0.00 177.93 179.09 1qya n HIS 239 N -4.47 0.77 -3.93 5.26 8.25 -0.45 -4.98 115.22 115.66 1qya n HIS 239 Ca 0.06 -0.39 -0.26 0.00 -0.26 0.00 0.00 57.72 56.87 1qya n HIS 239 Cb 0.16 -0.00 -0.01 0.00 1.12 0.00 0.00 29.99 31.27 1qya n HIS 239 CO 0.00 0.00 0.00 -1.71 0.64 0.00 0.00 176.34 175.27 1qya n ASN 240 N 1.60 -1.33 0.11 0.41 5.15 -0.25 -4.89 115.26 116.05 1qya n ASN 240 Ca 0.22 -0.95 -0.19 0.00 -0.60 0.00 0.00 54.58 53.06 1qya n ASN 240 Cb 0.62 -3.31 -0.15 0.00 -0.53 0.00 0.00 39.78 36.41 1qya n ASN 240 CO 0.00 0.00 0.00 0.58 1.40 0.00 0.00 177.26 179.24 1qya h VAL 241 N -1.83 1.31 -3.75 3.44 2.07 -1.37 -3.47 116.25 112.65 1qya h VAL 241 Ca -0.62 -2.85 -0.68 0.00 0.82 0.00 0.00 66.70 63.37 1qya h VAL 241 Cb 1.37 2.92 -0.20 0.00 -1.52 0.00 0.00 31.29 33.87 1qya h VAL 241 CO 0.64 0.85 -0.82 -0.76 0.02 0.00 0.00 177.57 177.49 1qya s LEU 242 N -7.26 2.58 0.36 2.57 1.43 -1.26 -5.12 118.68 111.98 1qya s LEU 242 Ca -0.08 -0.63 -0.26 0.00 -1.03 0.00 0.00 54.13 52.14 1qya s LEU 242 Cb 0.06 -1.43 -0.09 0.00 0.03 0.00 0.00 46.19 44.76 1qya s LEU 242 CO 0.90 0.18 1.08 -2.16 0.23 0.00 0.00 176.35 176.57 1qya s PRO 243 N -2.15 4.29 0.28 1.29 0.04 -1.26 -4.97 135.00 132.52 1qya s PRO 243 Ca 0.17 1.64 -0.16 0.00 0.04 0.00 0.00 61.00 62.69 1qya s PRO 243 Cb -0.10 -2.75 0.01 0.00 0.04 0.00 0.00 34.50 31.69 1qya s PRO 243 CO 0.09 -0.06 0.59 -3.38 0.04 0.00 0.00 177.00 174.29 1qya s HIS 244 N -1.48 0.18 -1.67 0.56 -3.43 -1.26 -4.96 115.29 103.22 1qya s HIS 244 Ca 0.54 -0.59 0.08 0.00 -0.80 0.00 0.00 55.06 54.28 1qya s HIS 244 Cb -0.26 0.42 0.27 0.00 -1.43 0.00 0.00 32.58 31.58 1qya s HIS 244 CO 0.33 -1.14 1.15 -0.40 -2.00 0.00 0.00 174.74 172.68 1qya n ASP 245 N -0.55 1.86 0.00 7.38 5.75 -1.26 -4.88 116.55 124.85 1qya n ASP 245 Ca -0.03 -2.09 0.00 0.00 -0.01 0.00 0.00 54.79 52.66 1qya n ASP 245 Cb 0.61 -0.29 0.00 0.00 -1.03 0.00 0.00 41.12 40.41 1qya n ASP 245 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1qya n GLY 246 N 0.77 1.31 0.09 6.12 0.00 -1.26 -4.83 105.19 107.38 1qya n GLY 246 Ca 0.10 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.12 1qya n GLY 246 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1qya n ASN 247 N 0.00 3.40 -3.80 1.61 3.02 -1.26 -4.54 115.26 113.69 1qya n ASN 247 Ca 0.00 0.00 -0.13 0.00 -0.03 0.00 0.00 54.58 54.42 1qya n ASN 247 Cb 0.00 0.00 -0.12 0.00 -0.61 0.00 0.00 39.78 39.05 1qya n ASN 247 CO 0.00 0.00 0.00 -0.69 -2.62 0.00 0.00 177.26 173.95 1qya s VAL 248 N -1.93 0.00 -0.16 2.41 1.01 -1.26 -1.09 120.40 119.38 1qya s VAL 248 Ca 0.00 -0.01 -0.01 0.00 0.00 0.00 0.00 61.98 61.96 1qya s VAL 248 Cb 0.00 -0.32 -0.01 0.00 0.00 0.00 0.00 36.38 36.06 1qya s VAL 248 CO 0.00 -0.01 -0.11 -0.22 0.00 0.00 0.00 175.10 174.77 1qya s LEU 249 N 0.09 2.73 -0.19 3.92 2.96 -0.43 -4.17 118.68 123.58 1qya s LEU 249 Ca -0.00 -0.37 -0.04 0.00 -0.22 0.00 0.00 54.13 53.50 1qya s LEU 249 Cb -0.02 -1.64 -0.02 0.00 0.50 0.00 0.00 46.19 45.02 1qya s LEU 249 CO 0.00 0.09 -0.04 -0.13 -1.32 0.00 0.00 176.35 174.96 1qya s ARG 250 N 0.78 3.49 -0.07 1.98 0.52 -1.26 -0.90 118.95 123.49 1qya s ARG 250 Ca -0.04 -0.59 0.02 0.00 -0.52 0.00 0.00 55.73 54.60 1qya s ARG 250 Cb -0.15 -2.97 0.02 0.00 0.52 0.00 0.00 34.95 32.37 1qya s ARG 250 CO 0.01 -0.03 -0.11 0.08 0.02 0.00 0.00 175.30 175.28 1qya s VAL 251 N 1.05 1.05 -0.52 3.52 1.01 -0.41 -4.80 120.40 121.29 1qya s VAL 251 Ca 0.01 -0.41 -0.22 0.00 0.00 0.00 0.00 61.98 61.36 1qya s VAL 251 Cb -0.15 -0.98 0.05 0.00 0.00 0.00 0.00 36.38 35.30 1qya s VAL 251 CO 0.00 0.34 0.80 -0.54 0.00 0.00 0.00 175.10 175.70 1qya s LYS 252 N 0.80 3.26 0.01 2.72 1.02 -0.67 -0.70 119.74 126.18 1qya s LYS 252 Ca -0.12 -0.48 -0.23 0.00 0.02 0.00 0.00 55.97 55.16 1qya s LYS 252 Cb -0.15 -4.06 -0.05 0.00 -0.52 0.00 0.00 37.83 33.05 1qya s LYS 252 CO 0.02 -1.34 0.67 0.20 -0.92 0.00 0.00 175.35 173.99 1qya s GLY 253 N 2.69 2.69 0.05 -3.33 0.00 0.30 -1.60 107.32 108.12 1qya s GLY 253 Ca 0.24 0.14 0.07 0.00 0.00 0.00 0.00 44.72 45.18 1qya s GLY 253 CO 0.17 0.93 -0.16 0.30 0.00 0.00 0.00 173.10 174.33 1qya s HIS 254 N -0.07 2.60 -0.06 1.90 3.76 0.82 -1.18 115.29 123.06 1qya s HIS 254 Ca 0.35 -0.23 -0.28 0.00 -0.15 0.00 0.00 55.06 54.75 1qya s HIS 254 Cb -0.19 -1.46 0.06 0.00 1.11 0.00 0.00 32.58 32.10 1qya s HIS 254 CO 0.20 0.29 0.62 -1.14 -0.85 0.00 0.00 174.74 173.86 1qya s GLN 255 N -1.57 0.98 0.00 1.40 0.74 -0.80 -1.44 119.66 118.97 1qya s GLN 255 Ca 0.16 0.25 0.00 0.00 0.05 0.00 0.00 55.36 55.81 1qya s GLN 255 Cb -0.11 0.46 0.00 0.00 1.10 0.00 0.00 33.01 34.46 1qya s GLN 255 CO 0.07 -0.29 0.00 0.41 -0.55 0.00 0.00 175.29 174.93 1qya n GLY 256 N 1.12 0.75 0.08 2.59 0.00 -1.02 -0.62 105.19 108.09 1qya n GLY 256 Ca -0.19 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 45.72 1qya n GLY 256 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 173.32 173.23 1qya h ARG 257 N 3.96 0.17 -0.26 1.61 2.43 -1.88 -0.47 114.38 119.93 1qya h ARG 257 Ca 0.00 -0.01 0.05 0.00 -0.81 0.00 0.00 59.98 59.21 1qya h ARG 257 Cb 0.00 -0.04 -0.01 0.00 -0.42 0.00 0.00 29.97 29.50 1qya h ARG 257 CO 0.00 0.11 0.18 0.00 -1.51 0.00 0.00 179.97 178.75 1qya h ALA 258 N 1.05 2.08 0.00 2.80 0.00 -1.94 -0.06 119.26 123.19 1qya h ALA 258 Ca 0.05 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.95 1qya h ALA 258 Cb -0.02 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 17.75 1qya h ALA 258 CO -0.02 -0.14 0.00 1.28 0.00 0.00 0.00 179.25 180.38 1qya n LEU 259 N -4.48 0.00 -1.09 0.00 4.77 -0.76 -4.89 117.00 110.55 1qya n LEU 259 Ca 0.03 0.35 -0.11 0.00 -0.03 0.00 0.00 56.01 56.24 1qya n LEU 259 Cb 0.25 -0.35 -0.02 0.00 -2.33 0.00 0.00 43.42 40.97 1qya n LEU 259 CO 0.35 -0.03 -0.13 0.61 -1.33 0.00 0.00 177.39 176.86 1qya n GLY 260 N 1.12 0.47 2.54 -0.72 0.00 -0.04 -4.95 105.19 103.62 1qya n GLY 260 Ca 0.11 -0.46 -0.17 0.00 0.00 0.00 0.00 46.02 45.50 1qya n GLY 260 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1qya n ARG 261 N -2.33 1.83 -1.68 1.61 1.74 -0.26 -4.72 116.66 112.87 1qya n ARG 261 Ca -0.12 -3.74 -0.45 0.00 -0.77 0.00 0.00 57.85 52.77 1qya n ARG 261 Cb 0.50 -1.69 -0.03 0.00 -1.02 0.00 0.00 32.46 30.22 1qya n ARG 261 CO 0.00 0.00 0.00 -0.25 -1.52 0.00 0.00 177.63 175.86 1qya n ASP 262 N -0.08 2.84 -4.06 0.55 9.92 -1.21 -2.95 116.55 121.55 1qya n ASP 262 Ca 0.22 1.14 -0.10 0.00 -0.53 0.00 0.00 54.79 55.52 1qya n ASP 262 Cb 0.69 -1.44 -0.08 0.00 -0.64 0.00 0.00 41.12 39.65 1qya n ASP 262 CO 0.00 0.00 0.00 -0.83 0.13 0.00 0.00 177.20 176.50 1qya s GLY 263 N 0.31 0.83 -0.03 0.44 0.00 0.21 -1.32 107.32 107.77 1qya s GLY 263 Ca 0.68 -1.20 0.00 0.00 0.00 0.00 0.00 44.72 44.20 1qya s GLY 263 CO 0.49 -1.04 0.02 -3.16 0.00 0.00 0.00 173.10 169.41 1qya s MET 264 N -4.04 0.13 -0.11 2.90 0.23 0.24 -1.90 119.30 116.76 1qya s MET 264 Ca 0.25 0.14 0.03 0.00 -1.03 0.00 0.00 55.69 55.07 1qya s MET 264 Cb 0.04 -0.37 0.01 0.00 -1.53 0.00 0.00 34.83 32.98 1qya s MET 264 CO 0.05 -0.16 -0.18 0.42 -2.03 0.00 0.00 175.02 173.12 1qya s ILE 265 N 1.07 1.68 -0.24 3.16 1.01 -0.33 -4.61 121.20 122.94 1qya s ILE 265 Ca -0.09 -0.77 -0.21 0.00 0.00 0.00 0.00 60.65 59.57 1qya s ILE 265 Cb -0.13 -1.50 -0.02 0.00 0.01 0.00 0.00 42.46 40.82 1qya s ILE 265 CO -0.02 0.48 0.68 -1.61 0.00 0.00 0.00 174.94 174.46 1qya s GLU 266 N 0.74 4.14 -0.23 2.79 2.02 -0.79 -0.54 118.70 126.83 1qya s GLU 266 Ca -0.11 0.65 -0.06 0.00 0.02 0.00 0.00 54.97 55.47 1qya s GLU 266 Cb -0.16 -3.64 -0.02 0.00 0.10 0.00 0.00 34.13 30.41 1qya s GLU 266 CO 0.02 -0.42 0.03 0.08 0.02 0.00 0.00 175.26 174.99 1qya s VAL 267 N 2.52 4.06 -0.22 2.63 1.01 0.12 -0.74 120.40 129.79 1qya s VAL 267 Ca 0.29 -0.26 -0.04 0.00 0.00 0.00 0.00 61.98 61.97 1qya s VAL 267 Cb -0.15 -2.87 -0.01 0.00 0.00 0.00 0.00 36.38 33.35 1qya s VAL 267 CO 0.08 0.38 -0.04 -0.89 0.00 0.00 0.00 175.10 174.64 1qya s THR 268 N 1.37 3.36 -0.24 3.92 2.01 0.22 -1.29 115.64 124.99 1qya s THR 268 Ca 0.05 -0.52 -0.04 0.00 0.31 0.00 0.00 61.69 61.49 1qya s THR 268 Cb -0.15 -2.54 0.01 0.00 0.01 0.00 0.00 72.50 69.83 1qya s THR 268 CO 0.02 0.40 -0.03 -0.69 -0.69 0.00 0.00 174.62 173.64 1qya s VAL 269 N 1.47 3.33 0.17 3.82 1.01 -0.07 -0.91 120.40 129.22 1qya s VAL 269 Ca 0.05 -0.69 -0.30 0.00 0.00 0.00 0.00 61.98 61.05 1qya s VAL 269 Cb -0.14 -2.61 -0.07 0.00 0.00 0.00 0.00 36.38 33.56 1qya s VAL 269 CO -0.03 0.29 1.07 -0.89 0.00 0.00 0.00 175.10 175.54 1qya s THR 270 N 1.44 3.97 -0.06 3.92 2.01 0.10 -1.32 115.64 125.69 1qya s THR 270 Ca 0.04 1.71 0.05 0.00 0.31 0.00 0.00 61.69 63.79 1qya s THR 270 Cb -0.15 -4.09 -0.02 0.00 0.01 0.00 0.00 72.50 68.25 1qya s THR 270 CO -0.03 0.30 -0.20 -0.63 -0.69 0.00 0.00 174.62 173.37 1qya s ILE 271 N -0.27 2.48 -0.12 1.82 1.01 -0.25 -0.97 121.20 124.90 1qya s ILE 271 Ca 0.48 -0.92 -0.02 0.00 0.00 0.00 0.00 60.65 60.20 1qya s ILE 271 Cb -0.28 -1.94 0.04 0.00 0.01 0.00 0.00 42.46 40.29 1qya s ILE 271 CO 0.34 0.57 0.02 -0.60 0.00 0.00 0.00 174.94 175.27 1qya s ARG 272 N -0.27 0.56 -1.33 2.79 3.52 -0.49 -4.49 118.95 119.23 1qya s ARG 272 Ca 0.00 -0.06 -0.04 0.00 -0.13 0.00 0.00 55.73 55.51 1qya s ARG 272 Cb -0.13 -1.37 0.02 0.00 -1.56 0.00 0.00 34.95 31.91 1qya s ARG 272 CO 0.03 -0.44 0.89 -0.25 -0.81 0.00 0.00 175.30 174.72 1qya n ASP 273 N 5.13 -2.79 -1.36 -2.12 8.00 -1.26 -2.19 116.55 119.97 1qya n ASP 273 Ca -0.07 -0.73 -0.18 0.00 0.71 0.00 0.00 54.79 54.52 1qya n ASP 273 Cb 0.49 -4.40 -0.08 0.00 -0.02 0.00 0.00 41.12 37.11 1qya n ASP 273 CO 0.00 0.00 0.00 0.59 -0.39 0.00 0.00 177.20 177.40 1qya n ASN 274 N -3.02 -5.57 -4.47 -2.24 3.02 -1.26 -5.00 115.26 96.70 1qya n ASN 274 Ca -0.19 0.44 -0.30 0.00 -0.03 0.00 0.00 54.58 54.50 1qya n ASN 274 Cb 0.63 -4.64 -0.12 0.00 -0.61 0.00 0.00 39.78 35.05 1qya n ASN 274 CO 0.00 0.00 0.00 -1.10 -2.62 0.00 0.00 177.26 173.54 1qya s GLN 275 N -3.50 1.80 -0.13 3.52 -1.52 -0.93 -4.43 119.66 114.46 1qya s GLN 275 Ca 0.00 -1.16 -0.29 0.00 -1.95 0.00 0.00 55.36 51.95 1qya s GLN 275 Cb 0.00 -2.10 -0.02 0.00 -0.22 0.00 0.00 33.01 30.66 1qya s GLN 275 CO 0.00 0.49 1.34 -1.25 -0.25 0.00 0.00 175.29 175.62 1qya s PRO 276 N -2.01 4.23 -0.20 2.91 0.04 -1.26 -1.40 135.00 137.31 1qya s PRO 276 Ca 0.17 1.78 -0.19 0.00 0.04 0.00 0.00 61.00 62.80 1qya s PRO 276 Cb -0.10 -3.79 -0.16 0.00 0.04 0.00 0.00 34.50 30.48 1qya s PRO 276 CO 0.09 -0.72 0.12 -1.91 0.04 0.00 0.00 177.00 174.62 1qya n GLU 277 N 6.59 0.55 -4.13 4.56 2.13 -0.14 -4.78 120.64 125.41 1qya n GLU 277 Ca 0.14 0.55 -0.16 0.00 0.66 0.00 0.00 57.16 58.35 1qya n GLU 277 Cb 0.44 -1.72 -0.15 0.00 0.27 0.00 0.00 31.44 30.29 1qya n GLU 277 CO 0.00 0.00 0.00 0.21 -0.41 0.00 0.00 177.13 176.93 1qya s LYS 278 N -2.36 0.43 -0.10 5.31 2.20 -1.20 -4.50 119.74 119.52 1qya s LYS 278 Ca -0.27 -0.15 0.03 0.00 -0.36 0.00 0.00 55.97 55.22 1qya s LYS 278 Cb 0.06 -0.43 0.01 0.00 -1.51 0.00 0.00 37.83 35.95 1qya s LYS 278 CO 0.53 0.07 -0.21 0.08 -0.36 0.00 0.00 175.35 175.46 1qya s VAL 279 N 0.05 1.89 -0.01 4.02 1.01 -1.26 -0.72 120.40 125.38 1qya s VAL 279 Ca -0.00 -0.91 0.08 0.00 0.00 0.00 0.00 61.98 61.15 1qya s VAL 279 Cb -0.04 -1.65 -0.02 0.00 0.00 0.00 0.00 36.38 34.67 1qya s VAL 279 CO -0.00 0.52 -0.24 -0.89 0.00 0.00 0.00 175.10 174.48 1qya s THR 280 N 0.55 1.93 0.12 3.92 2.01 -0.09 -0.43 115.64 123.65 1qya s THR 280 Ca -0.15 -1.10 0.09 0.00 0.31 0.00 0.00 61.69 60.85 1qya s THR 280 Cb -0.17 -1.62 -0.04 0.00 0.01 0.00 0.00 72.50 70.69 1qya s THR 280 CO 0.05 0.49 -0.21 0.27 -0.69 0.00 0.00 174.62 174.54 1qya s ILE 281 N -0.62 2.67 0.03 1.82 -4.36 -0.48 -0.61 121.20 119.66 1qya s ILE 281 Ca 0.10 -1.57 0.02 0.00 -0.26 0.00 0.00 60.65 58.94 1qya s ILE 281 Cb -0.09 -2.21 -0.02 0.00 1.25 0.00 0.00 42.46 41.38 1qya s ILE 281 CO -0.00 0.11 -0.07 -0.44 0.24 0.00 0.00 174.94 174.77 1qya s SER 282 N -2.09 0.81 0.17 4.36 0.01 0.08 -1.06 113.70 115.97 1qya s SER 282 Ca 0.17 -0.47 -0.23 0.00 1.31 0.00 0.00 55.95 56.73 1qya s SER 282 Cb -0.10 0.02 0.06 0.00 0.21 0.00 0.00 66.02 66.21 1qya s SER 282 CO 0.09 -0.16 0.67 -0.83 0.41 0.00 0.00 173.24 173.42 1qya s GLY 283 N -1.32 -0.47 0.06 3.44 0.00 -0.35 -1.89 107.32 106.79 1qya s GLY 283 Ca -0.08 0.34 0.00 0.00 0.00 0.00 0.00 44.72 44.99 1qya s GLY 283 CO 0.00 0.11 0.03 -0.37 0.00 0.00 0.00 173.10 172.88 1qya n THR 284 N -0.39 0.00 -3.83 0.90 5.66 -1.26 -0.31 114.28 115.05 1qya n THR 284 Ca -0.13 -0.23 -0.06 0.00 -3.05 0.00 0.00 64.05 60.58 1qya n THR 284 Cb 0.63 -0.35 -0.02 0.00 -1.55 0.00 0.00 70.33 69.04 1qya n THR 284 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 1qya s ALA 285 N -2.08 -1.34 -0.02 1.79 0.00 -1.14 0.21 121.76 119.17 1qya s ALA 285 Ca 0.02 -0.18 0.00 0.00 0.00 0.00 0.00 51.96 51.81 1qya s ALA 285 Cb -0.00 0.80 0.02 0.00 0.00 0.00 0.00 23.12 23.94 1qya s ALA 285 CO 0.02 -1.04 0.01 0.54 0.00 0.00 0.00 175.76 175.29 1qya s VAL 286 N -3.75 0.10 -0.37 0.00 0.11 -0.55 -4.70 120.40 111.23 1qya s VAL 286 Ca 0.11 0.10 -0.24 0.00 -2.93 0.00 0.00 61.98 59.02 1qya s VAL 286 Cb -0.05 -0.19 0.01 0.00 -1.53 0.00 0.00 36.38 34.62 1qya s VAL 286 CO 0.05 0.11 0.85 -0.63 -3.33 0.00 0.00 175.10 172.15 1qya s ILE 287 N 0.89 4.66 0.10 7.04 1.01 -1.26 -1.69 121.20 131.93 1qya s ILE 287 Ca -0.08 0.98 -0.13 0.00 0.00 0.00 0.00 60.65 61.41 1qya s ILE 287 Cb -0.12 -4.27 -0.15 0.00 0.01 0.00 0.00 42.46 37.93 1qya s ILE 287 CO -0.02 -0.51 1.31 -0.07 0.00 0.00 0.00 174.94 175.65 1qya h LEU 288 N 9.93 0.90 -7.25 2.97 3.38 -1.50 -3.48 115.31 120.26 1qya h LEU 288 Ca -0.24 -0.62 0.18 0.00 0.09 0.00 0.00 57.88 57.30 1qya h LEU 288 Cb 1.09 -0.27 -0.13 0.00 0.09 0.00 0.00 40.66 41.44 1qya h LEU 288 CO 0.95 1.37 0.58 0.72 0.09 0.00 0.00 178.44 182.15 1qya s PHE 289 N -3.79 -0.20 -0.01 1.13 -0.12 -1.25 -5.03 117.98 108.71 1qya s PHE 289 Ca -0.11 0.02 -0.18 0.00 -0.05 0.00 0.00 56.93 56.62 1qya s PHE 289 Cb 0.08 0.57 0.03 0.00 -0.63 0.00 0.00 43.02 43.07 1qya s PHE 289 CO 0.89 -0.55 0.38 -3.38 -0.05 0.00 0.00 175.22 172.51 1qya s HIS 290 N -2.98 -0.25 0.02 3.49 -3.43 -1.26 -1.58 115.29 109.29 1qya s HIS 290 Ca 0.09 0.36 -0.28 0.00 -0.80 0.00 0.00 55.06 54.43 1qya s HIS 290 Cb -0.00 0.16 0.09 0.00 -1.43 0.00 0.00 32.58 31.40 1qya s HIS 290 CO -0.04 -0.46 0.79 0.00 -2.00 0.00 0.00 174.74 173.03 1qya s ALA 291 N -1.58 -1.77 0.72 -1.38 0.00 -0.75 -5.00 121.76 112.01 1qya s ALA 291 Ca -0.11 0.97 -0.15 0.00 0.00 0.00 0.00 51.96 52.67 1qya s ALA 291 Cb -0.03 0.36 0.03 0.00 0.00 0.00 0.00 23.12 23.48 1qya s ALA 291 CO 0.03 -0.63 1.18 -1.21 0.00 0.00 0.00 175.76 175.14 1qya s GLU 292 N -2.82 2.26 0.41 0.00 2.02 -1.26 -1.01 118.70 118.30 1qya s GLU 292 Ca 0.01 1.64 -0.24 0.00 0.02 0.00 0.00 54.97 56.40 1qya s GLU 292 Cb -0.01 -1.86 -0.09 0.00 0.10 0.00 0.00 34.13 32.28 1qya s GLU 292 CO -0.07 -1.72 1.08 -1.58 0.02 0.00 0.00 175.26 173.00 1qya s TRP 293 N -2.13 3.18 -0.83 1.61 0.52 -1.22 -4.86 118.94 115.21 1qya s TRP 293 Ca 0.72 1.62 0.25 0.00 0.02 0.00 0.00 56.10 58.71 1qya s TRP 293 Cb -0.26 -3.20 0.58 0.00 -1.15 0.00 0.00 33.47 29.44 1qya s TRP 293 CO 0.45 -0.85 1.49 0.00 0.02 0.00 0.00 176.95 178.06 1qya n ALA 294 N -0.12 2.98 -2.93 0.98 0.00 -1.26 -4.86 120.51 115.30 1qya n ALA 294 Ca 0.05 -0.24 -0.22 0.00 0.00 0.00 0.00 53.44 53.04 1qya n ALA 294 Cb 0.49 -1.23 -0.03 0.00 0.00 0.00 0.00 19.45 18.68 1qya n ALA 294 CO 0.00 0.00 0.00 0.96 0.00 0.00 0.00 177.50 178.46 1qya s ILE 295 N -3.08 5.09 -0.09 0.00 -4.36 -1.26 -5.08 121.20 112.42 1qya s ILE 295 Ca 0.09 -1.03 -0.28 0.00 -0.26 0.00 0.00 60.65 59.17 1qya s ILE 295 Cb 0.16 -3.74 -0.02 0.00 1.25 0.00 0.00 42.46 40.10 1qya s ILE 295 CO 0.67 -0.30 0.93 -0.70 0.24 0.00 0.00 174.94 175.79 1qya s GLU 296 N -3.84 4.43 0.00 0.37 2.56 -1.26 -5.13 118.70 115.83 1qya s GLU 296 Ca 0.34 1.27 0.19 0.00 0.00 0.00 0.00 54.97 56.76 1qya s GLU 296 Cb -0.09 -3.52 0.15 0.00 2.00 0.00 0.00 34.13 32.67 1qya s GLU 296 CO 0.28 -0.21 1.09 1.28 -0.56 0.00 0.00 175.26 177.13