#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1q4a h LYS 3 N 0.00 -0.03 0.00 -1.46 2.10 -1.90 -3.21 116.57 112.07 1q4a h LYS 3 Ca 0.00 0.00 -0.13 0.00 -2.00 0.00 0.00 60.65 58.52 1q4a h LYS 3 Cb 0.00 0.01 -0.02 0.00 -0.90 0.00 0.00 32.23 31.32 1q4a h LYS 3 CO 0.00 0.14 -0.61 0.78 -2.00 0.00 0.00 179.45 177.76 1q4a h GLY 4 N -0.18 0.00 -0.08 0.07 0.00 -1.64 -3.31 103.07 97.93 1q4a h GLY 4 Ca -0.00 0.00 0.19 0.00 0.00 0.00 0.00 47.33 47.52 1q4a h GLY 4 CO 0.00 0.00 0.37 -2.09 0.00 0.00 0.00 176.54 174.82 1q4a h GLU 5 N 0.00 0.42 0.00 4.80 4.81 -1.69 -0.76 114.58 122.16 1q4a h GLU 5 Ca -0.01 -0.03 -0.01 0.00 -0.13 0.00 0.00 59.36 59.19 1q4a h GLU 5 Cb 1.10 -0.09 -0.00 0.00 0.63 0.00 0.00 28.75 30.39 1q4a h GLU 5 CO 0.08 0.28 -0.04 1.49 -0.73 0.00 0.00 179.01 180.08 1q4a h GLU 6 N 0.43 0.00 0.00 1.92 4.81 -1.69 -2.34 114.58 117.71 1q4a h GLU 6 Ca 0.51 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.74 1q4a h GLU 6 Cb 0.91 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.29 1q4a h GLU 6 CO -0.49 0.04 0.00 1.28 -0.73 0.00 0.00 179.01 179.12 1q4a n LEU 7 N -3.69 0.00 -0.24 1.64 4.77 -0.29 -3.58 117.00 115.61 1q4a n LEU 7 Ca -0.02 0.40 0.05 0.00 -0.03 0.00 0.00 56.01 56.40 1q4a n LEU 7 Cb 0.14 -0.40 0.10 0.00 -2.33 0.00 0.00 43.42 40.93 1q4a n LEU 7 CO 0.28 -0.12 0.57 0.49 -1.33 0.00 0.00 177.39 177.27 1q4a n PHE 8 N -1.40 0.19 0.36 -1.77 3.01 -0.88 -4.66 117.46 112.32 1q4a n PHE 8 Ca 0.07 -0.68 0.14 0.00 1.01 0.00 0.00 57.45 58.00 1q4a n PHE 8 Cb 0.20 -0.10 0.53 0.00 -0.01 0.00 0.00 39.48 40.10 1q4a n PHE 8 CO 0.00 0.00 0.00 1.79 1.01 0.00 0.00 176.76 179.56 1q4a h THR 9 N 0.58 0.00 -3.12 4.37 1.35 -1.68 -3.37 112.91 111.04 1q4a h THR 9 Ca 0.00 -0.44 0.00 0.00 -0.55 0.00 0.00 66.41 65.42 1q4a h THR 9 Cb 0.79 1.33 0.00 0.00 -1.73 0.00 0.00 68.15 68.53 1q4a h THR 9 CO 0.03 0.00 0.00 0.61 -0.25 0.00 0.00 175.52 175.91 1q4a n GLY 10 N 0.26 6.08 3.71 5.82 0.00 -1.26 -4.79 105.19 115.01 1q4a n GLY 10 Ca 0.02 -2.02 -0.41 0.00 0.00 0.00 0.00 46.02 43.61 1q4a n GLY 10 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1q4a s VAL 11 N -0.08 4.91 -0.11 1.61 1.01 -1.26 -4.49 120.40 122.00 1q4a s VAL 11 Ca 0.00 1.86 0.04 0.00 0.00 0.00 0.00 61.98 63.88 1q4a s VAL 11 Cb 0.00 -4.23 0.00 0.00 0.00 0.00 0.00 36.38 32.15 1q4a s VAL 11 CO 0.00 0.17 -0.24 -0.69 0.00 0.00 0.00 175.10 174.34 1q4a s VAL 12 N 1.08 2.08 0.44 2.92 1.01 -0.42 -4.96 120.40 122.55 1q4a s VAL 12 Ca 0.47 -1.01 -0.24 0.00 0.00 0.00 0.00 61.98 61.20 1q4a s VAL 12 Cb -0.20 -1.80 -0.08 0.00 0.00 0.00 0.00 36.38 34.31 1q4a s VAL 12 CO 0.24 0.56 1.18 -2.16 0.00 0.00 0.00 175.10 174.91 1q4a s PRO 13 N 0.41 3.86 -0.02 2.72 0.04 -1.26 -1.00 135.00 139.74 1q4a s PRO 13 Ca -0.17 1.82 0.05 0.00 0.04 0.00 0.00 61.00 62.74 1q4a s PRO 13 Cb -0.18 -2.51 -0.01 0.00 0.04 0.00 0.00 34.50 31.84 1q4a s PRO 13 CO 0.07 -0.48 -0.18 0.42 0.04 0.00 0.00 177.00 176.88 1q4a s ILE 14 N -1.49 1.42 -0.04 0.56 1.01 0.32 -1.12 121.20 121.87 1q4a s ILE 14 Ca 0.61 -0.76 0.05 0.00 0.00 0.00 0.00 60.65 60.55 1q4a s ILE 14 Cb -0.30 -1.19 -0.01 0.00 0.01 0.00 0.00 42.46 40.98 1q4a s ILE 14 CO 0.37 0.40 -0.18 -0.76 0.00 0.00 0.00 174.94 174.77 1q4a s LEU 15 N -0.34 1.96 -0.07 2.97 1.43 -0.27 -1.53 118.68 122.83 1q4a s LEU 15 Ca 0.05 -0.36 0.03 0.00 -1.03 0.00 0.00 54.13 52.82 1q4a s LEU 15 Cb -0.08 -0.99 0.01 0.00 0.03 0.00 0.00 46.19 45.16 1q4a s LEU 15 CO -0.00 0.18 -0.15 -0.69 0.23 0.00 0.00 176.35 175.92 1q4a s VAL 16 N -0.10 1.33 -0.07 -1.59 1.01 -0.14 -0.98 120.40 119.86 1q4a s VAL 16 Ca -0.01 -0.60 0.00 0.00 0.00 0.00 0.00 61.98 61.37 1q4a s VAL 16 Cb -0.10 -1.19 0.02 0.00 0.00 0.00 0.00 36.38 35.11 1q4a s VAL 16 CO 0.01 0.40 -0.06 -1.61 0.00 0.00 0.00 175.10 173.84 1q4a s GLU 17 N 0.52 1.17 -0.02 2.72 0.41 -0.33 0.01 118.70 123.18 1q4a s GLU 17 Ca -0.14 -0.17 0.03 0.00 -0.41 0.00 0.00 54.97 54.28 1q4a s GLU 17 Cb -0.16 -1.21 -0.00 0.00 -1.78 0.00 0.00 34.13 30.99 1q4a s GLU 17 CO 0.04 -0.16 -0.10 -1.17 -0.49 0.00 0.00 175.26 173.38 1q4a s LEU 18 N 1.31 1.92 -0.10 1.80 0.20 -0.33 -0.77 118.68 122.71 1q4a s LEU 18 Ca -0.04 -0.20 0.03 0.00 0.69 0.00 0.00 54.13 54.61 1q4a s LEU 18 Cb -0.14 -0.58 -0.01 0.00 -0.43 0.00 0.00 46.19 45.04 1q4a s LEU 18 CO -0.03 0.11 -0.20 -1.81 -0.29 0.00 0.00 176.35 174.13 1q4a s ASP 19 N -0.05 3.44 0.14 3.68 1.01 -0.67 -1.21 116.67 123.00 1q4a s ASP 19 Ca 0.01 -0.45 0.01 0.00 0.71 0.00 0.00 52.55 52.83 1q4a s ASP 19 Cb -0.06 -1.29 -0.04 0.00 1.01 0.00 0.00 42.92 42.53 1q4a s ASP 19 CO 0.00 0.20 -0.01 -0.83 0.21 0.00 0.00 175.17 174.73 1q4a s GLY 20 N 0.14 1.01 -0.21 0.21 0.00 0.40 -1.02 107.32 107.84 1q4a s GLY 20 Ca -0.11 -1.48 -0.04 0.00 0.00 0.00 0.00 44.72 43.10 1q4a s GLY 20 CO 0.06 -1.47 0.29 -0.35 0.00 0.00 0.00 173.10 171.63 1q4a s ASP 21 N -3.10 0.83 -0.26 1.64 -1.08 -0.57 -1.43 116.67 112.69 1q4a s ASP 21 Ca 0.19 0.03 0.01 0.00 -0.52 0.00 0.00 52.55 52.26 1q4a s ASP 21 Cb 0.06 0.71 0.05 0.00 -1.46 0.00 0.00 42.92 42.28 1q4a s ASP 21 CO 0.00 -0.31 -0.09 -0.69 0.52 0.00 0.00 175.17 174.60 1q4a s VAL 22 N 2.43 2.41 -1.47 1.11 1.01 -0.33 0.27 120.40 125.82 1q4a s VAL 22 Ca 0.09 -1.42 -0.12 0.00 0.00 0.00 0.00 61.98 60.53 1q4a s VAL 22 Cb -0.15 -2.34 0.08 0.00 0.00 0.00 0.00 36.38 33.97 1q4a s VAL 22 CO -0.13 0.05 0.77 0.59 0.00 0.00 0.00 175.10 176.38 1q4a n ASN 23 N 4.52 -4.57 0.00 3.32 4.13 -0.17 -1.00 115.26 121.49 1q4a n ASN 23 Ca -0.15 -0.60 0.00 0.00 1.68 0.00 0.00 54.58 55.51 1q4a n ASN 23 Cb 0.44 -3.69 0.00 0.00 -1.54 0.00 0.00 39.78 34.99 1q4a n ASN 23 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 1q4a n GLY 24 N -1.48 1.62 3.55 7.41 0.00 -1.26 -5.01 105.19 110.02 1q4a n GLY 24 Ca 0.01 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.60 1q4a n GLY 24 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 1q4a s HIS 25 N -2.51 2.83 0.00 1.61 3.76 -0.17 -5.02 115.29 115.79 1q4a s HIS 25 Ca 0.00 0.25 -0.16 0.00 -0.15 0.00 0.00 55.06 54.99 1q4a s HIS 25 Cb 0.00 -4.10 -0.06 0.00 1.11 0.00 0.00 32.58 29.53 1q4a s HIS 25 CO 0.00 -1.27 0.45 0.15 -0.85 0.00 0.00 174.74 173.23 1q4a s LYS 26 N 4.01 4.03 0.19 1.40 1.02 -1.26 -1.19 119.74 127.94 1q4a s LYS 26 Ca 0.36 0.49 -0.21 0.00 0.02 0.00 0.00 55.97 56.62 1q4a s LYS 26 Cb -0.11 -3.25 0.05 0.00 -0.52 0.00 0.00 37.83 34.00 1q4a s LYS 26 CO 0.24 0.62 0.60 -0.59 -0.92 0.00 0.00 175.35 175.29 1q4a s PHE 27 N -0.89 -0.35 0.04 3.18 -0.71 -0.52 -4.99 117.98 113.74 1q4a s PHE 27 Ca 0.25 0.06 0.02 0.00 -1.04 0.00 0.00 56.93 56.22 1q4a s PHE 27 Cb -0.17 0.54 -0.02 0.00 -1.21 0.00 0.00 43.02 42.15 1q4a s PHE 27 CO 0.14 -0.94 -0.08 -1.12 -1.34 0.00 0.00 175.22 171.88 1q4a s SER 28 N -2.82 0.93 -0.01 1.98 0.01 -1.26 -0.45 113.70 112.08 1q4a s SER 28 Ca 0.05 -0.51 0.02 0.00 1.31 0.00 0.00 55.95 56.81 1q4a s SER 28 Cb -0.02 0.02 -0.00 0.00 0.21 0.00 0.00 66.02 66.23 1q4a s SER 28 CO -0.07 -0.16 -0.06 -0.69 0.41 0.00 0.00 173.24 172.67 1q4a s VAL 29 N -1.25 0.47 -0.07 3.43 1.01 -0.35 -1.65 120.40 121.99 1q4a s VAL 29 Ca -0.08 -0.24 0.05 0.00 0.00 0.00 0.00 61.98 61.71 1q4a s VAL 29 Cb -0.09 -0.41 -0.00 0.00 0.00 0.00 0.00 36.38 35.88 1q4a s VAL 29 CO 0.01 0.14 -0.21 -0.44 0.00 0.00 0.00 175.10 174.59 1q4a s SER 30 N -0.06 2.71 0.10 3.32 0.01 -0.52 -1.19 113.70 118.07 1q4a s SER 30 Ca 0.01 -0.46 0.05 0.00 1.31 0.00 0.00 55.95 56.86 1q4a s SER 30 Cb -0.03 -0.93 -0.03 0.00 0.21 0.00 0.00 66.02 65.23 1q4a s SER 30 CO -0.00 0.18 -0.14 -0.83 0.41 0.00 0.00 173.24 172.86 1q4a s GLY 31 N 0.10 0.98 0.00 3.44 0.00 0.10 -0.80 107.32 111.14 1q4a s GLY 31 Ca -0.09 -1.17 -0.01 0.00 0.00 0.00 0.00 44.72 43.45 1q4a s GLY 31 CO 0.05 -1.21 0.02 -0.54 0.00 0.00 0.00 173.10 171.42 1q4a s GLU 32 N -2.29 0.18 0.00 2.90 2.02 -0.64 -0.96 118.70 119.91 1q4a s GLU 32 Ca 0.04 -0.24 0.00 0.00 0.02 0.00 0.00 54.97 54.80 1q4a s GLU 32 Cb -0.07 0.07 0.00 0.00 0.10 0.00 0.00 34.13 34.23 1q4a s GLU 32 CO 0.02 -0.03 0.00 0.41 0.02 0.00 0.00 175.26 175.68 1q4a n GLY 33 N 2.37 -0.76 3.30 -1.39 0.00 -0.58 -1.41 105.19 106.71 1q4a n GLY 33 Ca -0.17 -0.34 -0.11 0.00 0.00 0.00 0.00 46.02 45.39 1q4a n GLY 33 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 1q4a s GLU 34 N -0.28 0.96 0.04 1.61 -1.05 -0.43 -0.52 118.70 119.03 1q4a s GLU 34 Ca 0.00 -0.55 0.05 0.00 -0.15 0.00 0.00 54.97 54.32 1q4a s GLU 34 Cb 0.00 0.42 -0.02 0.00 -0.44 0.00 0.00 34.13 34.09 1q4a s GLU 34 CO 0.00 -0.34 -0.15 0.20 0.95 0.00 0.00 175.26 175.91 1q4a s GLY 35 N -2.38 0.85 -0.40 -3.83 0.00 -0.17 -1.73 107.32 99.65 1q4a s GLY 35 Ca -0.01 -0.87 0.01 0.00 0.00 0.00 0.00 44.72 43.85 1q4a s GLY 35 CO -0.07 -0.83 0.25 -0.35 0.00 0.00 0.00 173.10 172.10 1q4a s ASP 36 N -1.13 3.13 0.59 1.64 -1.08 0.34 -1.30 116.67 118.86 1q4a s ASP 36 Ca 0.03 -2.52 0.30 0.00 -0.52 0.00 0.00 52.55 49.84 1q4a s ASP 36 Cb -0.08 -0.70 1.76 0.00 -1.46 0.00 0.00 42.92 42.44 1q4a s ASP 36 CO 0.01 -0.27 2.18 0.00 0.52 0.00 0.00 175.17 177.61 1q4a h ALA 37 N 6.69 1.64 -0.37 3.66 0.00 -1.74 -1.16 119.26 127.98 1q4a h ALA 37 Ca 0.06 -0.00 0.09 0.00 0.00 0.00 0.00 54.91 55.05 1q4a h ALA 37 Cb 0.94 0.01 -0.02 0.00 0.00 0.00 0.00 17.79 18.72 1q4a h ALA 37 CO 0.38 -0.15 0.26 1.15 0.00 0.00 0.00 179.25 180.89 1q4a h THR 38 N 0.00 0.86 -0.12 0.00 2.02 -1.87 -1.50 112.91 112.30 1q4a h THR 38 Ca 0.04 -0.04 0.00 0.00 0.77 0.00 0.00 66.41 67.19 1q4a h THR 38 Cb 0.24 0.75 0.00 0.00 -1.74 0.00 0.00 68.15 67.41 1q4a h THR 38 CO -0.00 0.02 0.00 -1.22 0.37 0.00 0.00 175.52 174.69 1q4a n TYR 39 N -4.45 0.22 -2.43 3.16 4.01 -0.52 -4.97 117.16 112.18 1q4a n TYR 39 Ca 0.06 -0.61 -0.17 0.00 -0.16 0.00 0.00 57.90 57.01 1q4a n TYR 39 Cb 0.38 -0.08 -0.01 0.00 -0.31 0.00 0.00 39.34 39.32 1q4a n TYR 39 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 1q4a n GLY 40 N -0.37 -0.50 3.73 2.72 0.00 -0.56 -4.73 105.19 105.48 1q4a n GLY 40 Ca 0.08 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.75 1q4a n GLY 40 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1q4a s LYS 41 N -5.06 3.49 -0.04 1.61 2.20 -0.71 -1.21 119.74 120.02 1q4a s LYS 41 Ca 0.01 -0.29 0.03 0.00 -0.36 0.00 0.00 55.97 55.36 1q4a s LYS 41 Cb -0.00 -3.07 0.00 0.00 -1.51 0.00 0.00 37.83 33.25 1q4a s LYS 41 CO 0.01 0.58 -0.13 -0.51 -0.36 0.00 0.00 175.35 174.93 1q4a s LEU 42 N -0.49 1.81 -0.09 5.43 1.43 0.02 -0.51 118.68 126.28 1q4a s LEU 42 Ca 0.10 -0.29 -0.01 0.00 -1.03 0.00 0.00 54.13 52.91 1q4a s LEU 42 Cb -0.12 -0.80 0.03 0.00 0.03 0.00 0.00 46.19 45.33 1q4a s LEU 42 CO 0.02 0.10 -0.03 0.42 0.23 0.00 0.00 176.35 177.09 1q4a s THR 43 N 0.23 0.64 0.03 5.49 -4.23 -0.71 -1.18 115.64 115.92 1q4a s THR 43 Ca -0.06 -0.08 -0.07 0.00 -1.18 0.00 0.00 61.69 60.30 1q4a s THR 43 Cb -0.12 -0.76 -0.00 0.00 1.34 0.00 0.00 72.50 72.96 1q4a s THR 43 CO 0.02 0.27 0.14 -0.76 -0.54 0.00 0.00 174.62 173.75 1q4a s LEU 44 N 1.86 1.60 -0.09 4.79 1.02 -0.43 -1.32 118.68 126.12 1q4a s LEU 44 Ca 0.05 -0.41 0.02 0.00 0.02 0.00 0.00 54.13 53.80 1q4a s LEU 44 Cb -0.13 0.75 0.01 0.00 0.02 0.00 0.00 46.19 46.84 1q4a s LEU 44 CO -0.06 -0.50 -0.14 -0.75 0.02 0.00 0.00 176.35 174.91 1q4a s LYS 45 N -2.38 2.03 -0.04 1.70 2.20 -0.50 -0.64 119.74 122.12 1q4a s LYS 45 Ca -0.07 -0.51 0.02 0.00 -0.36 0.00 0.00 55.97 55.06 1q4a s LYS 45 Cb -0.02 -1.71 -0.03 0.00 -1.51 0.00 0.00 37.83 34.56 1q4a s LYS 45 CO -0.03 -0.02 -0.09 -0.06 -0.36 0.00 0.00 175.35 174.79 1q4a s PHE 46 N 0.85 2.86 -0.05 4.03 0.08 0.48 -1.62 117.98 124.61 1q4a s PHE 46 Ca -0.10 -0.04 0.03 0.00 0.12 0.00 0.00 56.93 56.94 1q4a s PHE 46 Cb -0.15 -1.65 0.00 0.00 -0.57 0.00 0.00 43.02 40.65 1q4a s PHE 46 CO 0.01 0.31 -0.14 0.42 -0.10 0.00 0.00 175.22 175.73 1q4a s ILE 47 N -0.86 1.20 -0.35 0.64 1.01 0.02 -1.19 121.20 121.67 1q4a s ILE 47 Ca 0.14 -0.57 -0.25 0.00 0.00 0.00 0.00 60.65 59.97 1q4a s ILE 47 Cb -0.11 -1.06 0.01 0.00 0.01 0.00 0.00 42.46 41.32 1q4a s ILE 47 CO 0.03 0.36 0.89 0.00 0.00 0.00 0.00 174.94 176.22 1q4a n THR 49 N 5.85 0.00 0.80 0.00 -2.24 -0.66 -3.73 114.28 114.30 1q4a n THR 49 Ca 0.06 -0.10 0.10 0.00 -2.27 0.00 0.00 64.05 61.84 1q4a n THR 49 Cb 0.48 0.16 0.08 0.00 -2.10 0.00 0.00 70.33 68.94 1q4a n THR 49 CO 0.00 0.00 0.00 0.35 -0.57 0.00 0.00 175.07 174.85 1q4a n THR 50 N -0.75 0.00 0.00 4.28 -2.24 -1.25 -4.99 114.28 109.32 1q4a n THR 50 Ca 0.14 -0.50 0.00 0.00 -2.27 0.00 0.00 64.05 61.42 1q4a n THR 50 Cb 0.31 1.40 0.00 0.00 -2.10 0.00 0.00 70.33 69.94 1q4a n THR 50 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1q4a n GLY 51 N 1.08 0.29 3.78 3.38 0.00 -1.24 -5.01 105.19 107.46 1q4a n GLY 51 Ca 0.11 -1.30 -0.39 0.00 0.00 0.00 0.00 46.02 44.44 1q4a n GLY 51 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1q4a s LYS 52 N 0.00 4.39 0.03 1.61 1.02 -1.26 -4.49 119.74 121.05 1q4a s LYS 52 Ca 0.00 0.93 -0.30 0.00 0.02 0.00 0.00 55.97 56.61 1q4a s LYS 52 Cb 0.00 -3.29 -0.06 0.00 -0.52 0.00 0.00 37.83 33.96 1q4a s LYS 52 CO 0.00 0.49 1.30 -1.17 -0.92 0.00 0.00 175.35 175.05 1q4a s LEU 53 N -0.71 4.34 0.00 3.17 2.96 -1.26 -4.92 118.68 122.26 1q4a s LEU 53 Ca 0.33 2.08 0.29 0.00 -0.22 0.00 0.00 54.13 56.61 1q4a s LEU 53 Cb -0.20 -3.57 1.60 0.00 0.50 0.00 0.00 46.19 44.52 1q4a s LEU 53 CO 0.22 -0.60 2.05 -0.81 -1.32 0.00 0.00 176.35 175.88 1q4a n PRO 54 N 4.60 0.65 -4.32 0.98 -0.04 -1.26 -4.80 135.00 130.82 1q4a n PRO 54 Ca 0.11 0.01 -0.17 0.00 -0.04 0.00 0.00 63.50 63.41 1q4a n PRO 54 Cb 0.45 -1.50 -0.10 0.00 -0.04 0.00 0.00 33.50 32.30 1q4a n PRO 54 CO 0.00 0.00 0.00 0.14 -0.04 0.00 0.00 175.50 175.60 1q4a s VAL 55 N -2.31 1.08 0.27 0.52 -7.23 -1.26 -4.67 120.40 106.80 1q4a s VAL 55 Ca 0.35 -2.04 -0.29 0.00 -1.81 0.00 0.00 61.98 58.19 1q4a s VAL 55 Cb 0.20 -2.26 -0.09 0.00 0.56 0.00 0.00 36.38 34.78 1q4a s VAL 55 CO 0.39 -0.39 1.16 -2.84 -0.31 0.00 0.00 175.10 173.11 1q4a s PRO 56 N -3.84 4.56 0.27 4.82 0.02 -1.26 -4.93 135.00 134.64 1q4a s PRO 56 Ca 0.26 1.90 0.01 0.00 0.02 0.00 0.00 61.00 63.19 1q4a s PRO 56 Cb 0.05 -3.17 0.61 0.00 0.02 0.00 0.00 34.50 32.00 1q4a s PRO 56 CO 0.07 0.08 1.72 -1.49 -0.33 0.00 0.00 177.00 177.06 1q4a h TRP 57 N 3.97 0.66 -0.42 6.54 4.06 -1.96 -1.16 115.95 127.64 1q4a h TRP 57 Ca -0.47 0.04 0.10 0.00 2.06 0.00 0.00 58.89 60.62 1q4a h TRP 57 Cb 1.21 -0.16 -0.02 0.00 -1.00 0.00 0.00 29.16 29.20 1q4a h TRP 57 CO 0.59 0.05 0.30 -1.35 -3.56 0.00 0.00 178.44 174.46 1q4a h PRO 58 N 0.48 0.11 0.00 0.49 0.11 -1.89 -1.56 132.00 129.74 1q4a h PRO 58 Ca 0.50 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 66.60 1q4a h PRO 58 Cb 0.83 -0.02 0.00 0.00 0.11 0.00 0.00 31.00 31.92 1q4a h PRO 58 CO -0.45 0.07 0.00 0.25 -0.21 0.00 0.00 178.00 177.66 1q4a n THR 59 N -4.44 1.09 0.78 -1.15 -2.24 -0.44 -2.57 114.28 105.32 1q4a n THR 59 Ca 0.07 0.40 0.08 0.00 -2.27 0.00 0.00 64.05 62.33 1q4a n THR 59 Cb 0.42 -1.32 -0.02 0.00 -2.10 0.00 0.00 70.33 67.31 1q4a n THR 59 CO 0.00 0.00 0.00 0.18 -0.57 0.00 0.00 175.07 174.68 1q4a n LEU 60 N -1.98 1.56 -0.05 3.22 4.77 -0.59 -4.66 117.00 119.27 1q4a n LEU 60 Ca 0.01 -0.72 -0.07 0.00 -0.03 0.00 0.00 56.01 55.20 1q4a n LEU 60 Cb 0.13 0.00 -0.01 0.00 -2.33 0.00 0.00 43.42 41.21 1q4a n LEU 60 CO 0.13 0.30 0.76 0.58 -1.33 0.00 0.00 177.39 177.84 1q4a h VAL 61 N 1.60 0.58 0.00 4.08 2.07 -1.53 -1.02 116.25 122.03 1q4a h VAL 61 Ca 0.00 0.00 -0.03 0.00 0.82 0.00 0.00 66.70 67.49 1q4a h VAL 61 Cb 0.56 0.58 -0.00 0.00 -1.52 0.00 0.00 31.29 30.91 1q4a h VAL 61 CO 0.00 0.00 -0.16 0.71 0.02 0.00 0.00 177.57 178.14 1q4a h THR 62 N -0.11 0.97 -0.13 2.57 1.35 -1.83 -2.50 112.91 113.23 1q4a h THR 62 Ca 0.14 -0.59 -0.23 0.00 -0.55 0.00 0.00 66.41 65.18 1q4a h THR 62 Cb 0.32 1.33 0.01 0.00 -1.73 0.00 0.00 68.15 68.08 1q4a h THR 62 CO -0.32 0.16 -0.81 0.74 -0.25 0.00 0.00 175.52 175.03 1q4a h THR 63 N 0.00 1.28 0.00 6.82 2.02 -1.64 -3.46 112.91 117.93 1q4a h THR 63 Ca -0.00 -2.01 -0.55 0.00 0.77 0.00 0.00 66.41 64.62 1q4a h THR 63 Cb 0.32 2.05 0.04 0.00 -1.74 0.00 0.00 68.15 68.82 1q4a h THR 63 CO 0.02 0.63 2.37 0.49 0.37 0.00 0.00 175.52 179.41 1q4a n PHE 64 N -3.94 1.66 0.00 3.16 3.72 -0.47 -5.04 117.46 116.55 1q4a n PHE 64 Ca -0.08 -1.83 0.00 0.00 -0.05 0.00 0.00 57.45 55.49 1q4a n PHE 64 Cb 0.77 -1.67 0.00 0.00 -0.94 0.00 0.00 39.48 37.64 1q4a n PHE 64 CO 0.00 0.00 0.00 1.33 -0.05 0.00 0.00 176.76 178.04 1q4a n VAL 68 N 5.40 0.00 0.36 -4.37 0.24 -1.26 -5.00 118.33 113.70 1q4a n VAL 68 Ca 0.47 0.00 0.04 0.00 -2.04 0.00 0.00 64.34 62.81 1q4a n VAL 68 Cb 0.31 0.00 0.19 0.00 -1.47 0.00 0.00 33.84 32.87 1q4a n VAL 68 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 1q4a n GLN 69 N 0.00 0.10 0.13 7.34 6.02 -1.26 -1.31 117.38 128.40 1q4a n GLN 69 Ca 0.00 0.23 0.11 0.00 -0.01 0.00 0.00 57.00 57.33 1q4a n GLN 69 Cb 0.00 -1.50 0.51 0.00 1.02 0.00 0.00 30.24 30.27 1q4a n GLN 69 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 1q4a n PHE 71 N -2.21 0.22 -2.05 0.00 3.72 -0.43 -4.72 117.46 112.01 1q4a n PHE 71 Ca 0.01 -0.11 -0.38 0.00 -0.05 0.00 0.00 57.45 56.92 1q4a n PHE 71 Cb 0.15 0.00 0.01 0.00 -0.94 0.00 0.00 39.48 38.71 1q4a n PHE 71 CO 0.00 0.00 0.00 -1.12 -0.05 0.00 0.00 176.76 175.59 1q4a s SER 72 N -1.59 5.81 -0.32 4.37 0.01 -0.74 -4.08 113.70 117.15 1q4a s SER 72 Ca 0.33 2.52 -0.22 0.00 1.31 0.00 0.00 55.95 59.89 1q4a s SER 72 Cb 0.18 -2.62 -0.00 0.00 0.21 0.00 0.00 66.02 63.79 1q4a s SER 72 CO 0.27 -1.18 0.74 -0.60 0.41 0.00 0.00 173.24 172.88 1q4a s ARG 73 N -2.75 3.91 -0.27 12.44 3.52 -0.20 -4.78 118.95 130.81 1q4a s ARG 73 Ca 0.66 0.45 -0.11 0.00 -0.13 0.00 0.00 55.73 56.60 1q4a s ARG 73 Cb -0.34 -3.74 -0.05 0.00 -1.56 0.00 0.00 34.95 29.26 1q4a s ARG 73 CO 0.41 -0.67 0.18 0.71 -0.81 0.00 0.00 175.30 175.11 1q4a s TYR 74 N 2.87 3.22 0.69 5.12 1.51 -1.26 -0.67 117.35 128.82 1q4a s TYR 74 Ca 0.30 0.09 -0.17 0.00 -1.01 0.00 0.00 57.07 56.29 1q4a s TYR 74 Cb -0.14 -2.35 -0.01 0.00 -0.11 0.00 0.00 41.96 39.35 1q4a s TYR 74 CO 0.13 -0.14 0.98 -2.30 -1.11 0.00 0.00 175.55 173.11 1q4a n PRO 75 N 4.93 0.64 -0.26 -1.71 -0.02 -1.26 -4.70 135.00 132.62 1q4a n PRO 75 Ca -0.14 0.27 0.06 0.00 -2.02 0.00 0.00 63.50 61.67 1q4a n PRO 75 Cb 0.52 -2.22 0.20 0.00 -0.02 0.00 0.00 33.50 31.98 1q4a n PRO 75 CO 0.00 0.00 0.00 0.22 1.98 0.00 0.00 175.50 177.70 1q4a h ASP 76 N -0.01 0.28 0.33 2.55 1.82 -2.00 0.22 116.42 119.60 1q4a h ASP 76 Ca -0.48 0.11 0.00 0.00 -0.39 0.00 0.00 57.03 56.28 1q4a h ASP 76 Cb 1.34 0.09 0.00 0.00 0.68 0.00 0.00 39.33 41.45 1q4a h ASP 76 CO 0.48 0.09 0.00 0.00 -1.61 0.00 0.00 179.24 178.21 1q4a n HIS 77 N -5.01 0.00 0.14 0.28 1.44 -1.26 -1.96 115.22 108.85 1q4a n HIS 77 Ca 0.15 0.00 0.05 0.00 -2.01 0.00 0.00 57.72 55.91 1q4a n HIS 77 Cb 0.44 -0.40 0.08 0.00 0.12 0.00 0.00 29.99 30.23 1q4a n HIS 77 CO 0.00 0.00 0.00 -1.33 -2.81 0.00 0.00 176.34 172.20 1q4a n MET 78 N -1.40 1.54 -0.13 -1.40 2.81 0.74 -4.72 117.12 114.55 1q4a n MET 78 Ca 0.04 -1.50 0.21 0.00 -1.81 0.00 0.00 57.70 54.64 1q4a n MET 78 Cb 0.12 -1.21 0.63 0.00 -0.71 0.00 0.00 33.22 32.05 1q4a n MET 78 CO 0.00 0.00 0.00 1.57 1.51 0.00 0.00 175.97 179.05 1q4a h LYS 79 N 1.84 0.16 0.00 0.03 2.10 -0.94 -0.26 116.57 119.49 1q4a h LYS 79 Ca 0.00 -0.01 0.00 0.00 -2.00 0.00 0.00 60.65 58.64 1q4a h LYS 79 Cb 0.54 -0.04 0.00 0.00 -0.90 0.00 0.00 32.23 31.84 1q4a h LYS 79 CO 0.00 0.10 0.00 2.89 -2.00 0.00 0.00 179.45 180.44 1q4a n ARG 80 N -4.39 0.20 -0.22 0.07 1.85 -1.26 -2.55 116.66 110.36 1q4a n ARG 80 Ca 0.15 0.15 0.09 0.00 -1.00 0.00 0.00 57.85 57.23 1q4a n ARG 80 Cb 0.70 -1.50 0.21 0.00 -1.05 0.00 0.00 32.46 30.82 1q4a n ARG 80 CO 0.00 0.00 0.00 0.72 -0.01 0.00 0.00 177.63 178.34 1q4a n HIS 81 N -1.30 0.59 -2.85 2.89 8.25 -0.11 -4.64 115.22 118.06 1q4a n HIS 81 Ca 0.07 -0.40 -0.43 0.00 -0.26 0.00 0.00 57.72 56.70 1q4a n HIS 81 Cb 0.13 -0.01 -0.01 0.00 1.12 0.00 0.00 29.99 31.22 1q4a n HIS 81 CO 0.00 0.00 0.00 0.34 0.64 0.00 0.00 176.34 177.32 1q4a s ASP 82 N -1.10 6.85 0.16 0.41 -1.08 -1.06 -4.49 116.67 116.37 1q4a s ASP 82 Ca 0.34 -2.49 -0.15 0.00 -0.52 0.00 0.00 52.55 49.73 1q4a s ASP 82 Cb 0.18 -2.44 0.04 0.00 -1.46 0.00 0.00 42.92 39.24 1q4a s ASP 82 CO 0.25 -0.98 1.78 0.15 0.52 0.00 0.00 175.17 176.89 1q4a h PHE 83 N 7.96 0.65 -0.21 -5.34 3.04 -1.89 -2.92 116.94 118.23 1q4a h PHE 83 Ca 0.28 -0.01 0.06 0.00 3.98 0.00 0.00 57.97 62.28 1q4a h PHE 83 Cb 0.93 -0.21 -0.06 0.00 2.56 0.00 0.00 35.95 39.16 1q4a h PHE 83 CO 1.19 0.48 -0.22 0.74 -2.02 0.00 0.00 178.31 178.48 1q4a h PHE 84 N 0.64 -0.57 -0.02 0.41 0.04 -1.89 -1.96 116.94 113.59 1q4a h PHE 84 Ca 0.17 0.03 -0.13 0.00 2.80 0.00 0.00 57.97 60.84 1q4a h PHE 84 Cb 0.03 0.28 -0.02 0.00 2.20 0.00 0.00 35.95 38.45 1q4a h PHE 84 CO -0.02 -0.30 -0.61 0.87 -0.60 0.00 0.00 178.31 177.65 1q4a h LYS 85 N -0.24 0.05 0.00 1.51 1.57 -1.84 -3.15 116.57 114.48 1q4a h LYS 85 Ca 0.13 -0.04 -0.02 0.00 -1.87 0.00 0.00 60.65 58.85 1q4a h LYS 85 Cb 0.43 0.01 -0.00 0.00 0.08 0.00 0.00 32.23 32.74 1q4a h LYS 85 CO -0.35 0.64 -0.08 0.66 -0.57 0.00 0.00 179.45 179.76 1q4a h SER 86 N 0.04 0.00 0.81 0.86 4.64 -1.16 -1.98 113.55 116.76 1q4a h SER 86 Ca -0.01 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.31 1q4a h SER 86 Cb 1.08 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.17 1q4a h SER 86 CO 0.08 0.08 -0.06 0.00 -0.87 0.00 0.00 176.83 176.06 1q4a n ALA 87 N -2.20 2.53 -2.15 5.18 0.00 -1.01 -4.46 120.51 118.40 1q4a n ALA 87 Ca -0.01 -0.15 -0.30 0.00 0.00 0.00 0.00 53.44 52.98 1q4a n ALA 87 Cb 0.23 -1.43 -0.02 0.00 0.00 0.00 0.00 19.45 18.24 1q4a n ALA 87 CO 0.00 0.00 0.00 -1.64 0.00 0.00 0.00 177.50 175.86 1q4a s MET 88 N -2.87 3.69 0.20 0.00 1.00 -0.74 -0.43 119.30 120.15 1q4a s MET 88 Ca 0.18 0.46 0.26 0.00 0.00 0.00 0.00 55.69 56.58 1q4a s MET 88 Cb 0.19 -2.33 0.86 0.00 0.00 0.00 0.00 34.83 33.56 1q4a s MET 88 CO 0.53 -0.17 1.78 -0.35 0.00 0.00 0.00 175.02 176.80 1q4a n PRO 89 N -1.80 0.23 -0.18 2.03 -0.04 -1.26 -3.64 135.00 130.33 1q4a n PRO 89 Ca 0.03 0.23 0.06 0.00 -0.04 0.00 0.00 63.50 63.77 1q4a n PRO 89 Cb 0.54 -1.79 0.34 0.00 -0.04 0.00 0.00 33.50 32.55 1q4a n PRO 89 CO 0.00 0.00 0.00 0.93 -0.04 0.00 0.00 175.50 176.39 1q4a h GLU 90 N 0.00 0.76 0.00 0.54 3.07 -1.91 -2.61 114.58 114.43 1q4a h GLU 90 Ca 0.00 -0.05 0.00 0.00 -0.50 0.00 0.00 59.36 58.81 1q4a h GLU 90 Cb 0.66 -0.17 0.00 0.00 -0.84 0.00 0.00 28.75 28.40 1q4a h GLU 90 CO 0.00 0.51 0.00 0.41 -1.40 0.00 0.00 179.01 178.53 1q4a n GLY 91 N -1.44 -2.10 3.19 -3.84 0.00 0.42 -4.62 105.19 96.80 1q4a n GLY 91 Ca 0.10 -1.98 -0.09 0.00 0.00 0.00 0.00 46.02 44.06 1q4a n GLY 91 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 1q4a s TYR 92 N -0.15 0.19 -0.16 1.61 -0.85 -0.38 -1.08 117.35 116.53 1q4a s TYR 92 Ca 0.00 -0.62 -0.11 0.00 -0.52 0.00 0.00 57.07 55.82 1q4a s TYR 92 Cb 0.00 -0.10 -0.05 0.00 0.38 0.00 0.00 41.96 42.19 1q4a s TYR 92 CO 0.00 -0.51 0.20 0.08 -1.52 0.00 0.00 175.55 173.80 1q4a s VAL 93 N -3.78 5.37 -0.16 -3.49 1.01 0.41 -1.14 120.40 118.62 1q4a s VAL 93 Ca 0.04 0.35 0.02 0.00 0.00 0.00 0.00 61.98 62.39 1q4a s VAL 93 Cb 0.05 -3.52 0.02 0.00 0.00 0.00 0.00 36.38 32.92 1q4a s VAL 93 CO -0.10 0.47 -0.21 -1.58 0.00 0.00 0.00 175.10 173.67 1q4a s GLN 94 N 0.05 3.00 0.00 2.72 0.74 0.15 -1.57 119.66 124.74 1q4a s GLN 94 Ca 0.13 -0.84 0.08 0.00 0.05 0.00 0.00 55.36 54.78 1q4a s GLN 94 Cb -0.12 -2.50 -0.02 0.00 1.10 0.00 0.00 33.01 31.46 1q4a s GLN 94 CO 0.02 -0.12 -0.24 -1.21 -0.55 0.00 0.00 175.29 173.19 1q4a s GLU 95 N 1.07 1.83 0.04 1.67 2.02 0.09 -0.85 118.70 124.57 1q4a s GLU 95 Ca -0.00 -0.90 -0.03 0.00 0.02 0.00 0.00 54.97 54.05 1q4a s GLU 95 Cb -0.14 -1.83 -0.02 0.00 0.10 0.00 0.00 34.13 32.24 1q4a s GLU 95 CO -0.08 0.49 0.04 1.03 0.02 0.00 0.00 175.26 176.76 1q4a s ARG 96 N -0.75 0.57 -0.09 1.61 0.52 -0.69 -0.80 118.95 119.32 1q4a s ARG 96 Ca 0.09 -0.90 0.03 0.00 -0.52 0.00 0.00 55.73 54.43 1q4a s ARG 96 Cb -0.09 0.21 0.01 0.00 0.52 0.00 0.00 34.95 35.60 1q4a s ARG 96 CO -0.00 -0.13 -0.17 0.99 0.02 0.00 0.00 175.30 176.01 1q4a s THR 97 N -2.96 1.51 -0.24 0.02 2.01 -0.38 -1.30 115.64 114.31 1q4a s THR 97 Ca -0.02 -0.69 0.02 0.00 0.31 0.00 0.00 61.69 61.31 1q4a s THR 97 Cb 0.01 -1.35 0.05 0.00 0.01 0.00 0.00 72.50 71.22 1q4a s THR 97 CO -0.06 0.44 -0.13 -0.63 -0.69 0.00 0.00 174.62 173.54 1q4a s ILE 98 N 0.63 2.15 -0.38 1.82 1.01 0.21 -1.35 121.20 125.29 1q4a s ILE 98 Ca -0.14 -1.45 -0.17 0.00 0.00 0.00 0.00 60.65 58.89 1q4a s ILE 98 Cb -0.16 -2.17 0.00 0.00 0.01 0.00 0.00 42.46 40.14 1q4a s ILE 98 CO 0.04 0.12 0.46 -0.36 0.00 0.00 0.00 174.94 175.20 1q4a s PHE 99 N 1.15 3.18 -0.31 3.97 0.40 0.11 -1.00 117.98 125.47 1q4a s PHE 99 Ca -0.05 -0.07 -0.24 0.00 -0.60 0.00 0.00 56.93 55.97 1q4a s PHE 99 Cb -0.18 -2.88 0.00 0.00 0.51 0.00 0.00 43.02 40.48 1q4a s PHE 99 CO -0.07 -0.58 0.83 -0.06 0.70 0.00 0.00 175.22 176.03 1q4a s PHE 100 N 2.24 3.19 0.12 0.36 0.40 -0.27 -1.03 117.98 123.00 1q4a s PHE 100 Ca 0.15 0.85 -0.35 0.00 -0.60 0.00 0.00 56.93 56.97 1q4a s PHE 100 Cb -0.16 -3.29 -0.15 0.00 0.51 0.00 0.00 43.02 39.92 1q4a s PHE 100 CO 0.13 -0.60 1.46 1.17 0.70 0.00 0.00 175.22 178.08 1q4a n LYS 101 N 6.30 1.64 -2.15 0.44 4.81 -0.44 -0.90 118.16 127.86 1q4a n LYS 101 Ca 0.05 0.59 -0.19 0.00 -0.87 0.00 0.00 58.31 57.88 1q4a n LYS 101 Cb 0.48 -2.30 -0.03 0.00 0.02 0.00 0.00 35.03 33.20 1q4a n LYS 101 CO 0.00 0.00 0.00 -0.25 1.17 0.00 0.00 177.40 178.32 1q4a n ASP 102 N 2.98 -5.45 0.00 3.14 8.00 -1.26 -4.83 116.55 119.13 1q4a n ASP 102 Ca 0.18 0.16 0.00 0.00 0.71 0.00 0.00 54.79 55.84 1q4a n ASP 102 Cb 0.24 -4.64 0.00 0.00 -0.02 0.00 0.00 41.12 36.70 1q4a n ASP 102 CO 0.00 0.00 0.00 -0.67 -0.39 0.00 0.00 177.20 176.14 1q4a n ASP 103 N -1.75 0.00 -2.11 -2.24 -0.08 -0.08 -4.93 116.55 105.36 1q4a n ASP 103 Ca -0.22 0.00 0.00 0.00 -1.51 0.00 0.00 54.79 53.06 1q4a n ASP 103 Cb 0.66 0.00 0.00 0.00 2.34 0.00 0.00 41.12 44.12 1q4a n ASP 103 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 1q4a n GLY 104 N 0.00 -1.07 3.02 0.27 0.00 -1.14 -4.60 105.19 101.66 1q4a n GLY 104 Ca 0.00 -1.67 -0.10 0.00 0.00 0.00 0.00 46.02 44.25 1q4a n GLY 104 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1q4a s ASN 105 N -1.00 0.47 -0.06 1.61 2.20 -0.73 -1.11 114.94 116.32 1q4a s ASN 105 Ca 0.00 -0.60 -0.01 0.00 -0.94 0.00 0.00 52.86 51.31 1q4a s ASN 105 Cb 0.00 0.10 -0.03 0.00 -2.00 0.00 0.00 41.25 39.31 1q4a s ASN 105 CO 0.00 -0.32 -0.00 -0.31 -2.94 0.00 0.00 177.10 173.53 1q4a s TYR 106 N -1.86 3.12 -0.10 1.54 2.02 -0.18 -1.73 117.35 120.17 1q4a s TYR 106 Ca -0.10 0.15 0.03 0.00 -0.37 0.00 0.00 57.07 56.78 1q4a s TYR 106 Cb -0.07 -1.75 0.00 0.00 -0.40 0.00 0.00 41.96 39.75 1q4a s TYR 106 CO -0.02 0.46 -0.22 0.15 -1.57 0.00 0.00 175.55 174.35 1q4a s LYS 107 N -1.10 2.83 0.07 -0.62 1.02 0.83 -0.62 119.74 122.14 1q4a s LYS 107 Ca 0.15 -0.80 0.07 0.00 0.02 0.00 0.00 55.97 55.41 1q4a s LYS 107 Cb -0.11 -2.19 -0.03 0.00 -0.52 0.00 0.00 37.83 34.98 1q4a s LYS 107 CO 0.05 0.11 -0.18 0.95 -0.92 0.00 0.00 175.35 175.36 1q4a s THR 108 N 0.51 1.43 -0.05 2.17 -4.23 -0.42 -0.99 115.64 114.07 1q4a s THR 108 Ca -0.15 -1.27 -0.00 0.00 -1.18 0.00 0.00 61.69 59.09 1q4a s THR 108 Cb -0.17 -1.29 0.03 0.00 1.34 0.00 0.00 72.50 72.40 1q4a s THR 108 CO 0.06 -0.01 -0.02 -0.60 -0.54 0.00 0.00 174.62 173.51 1q4a s ARG 109 N -1.49 0.64 0.06 3.99 3.52 -0.68 -1.71 118.95 123.28 1q4a s ARG 109 Ca 0.04 0.02 0.02 0.00 -0.13 0.00 0.00 55.73 55.67 1q4a s ARG 109 Cb -0.09 -0.83 -0.03 0.00 -1.56 0.00 0.00 34.95 32.44 1q4a s ARG 109 CO 0.02 -0.18 -0.07 0.00 -0.81 0.00 0.00 175.30 174.26 1q4a s ALA 110 N 1.37 0.73 -0.12 6.12 0.00 -0.03 -1.02 121.76 128.80 1q4a s ALA 110 Ca -0.04 -1.00 0.02 0.00 0.00 0.00 0.00 51.96 50.93 1q4a s ALA 110 Cb -0.13 0.09 0.01 0.00 0.00 0.00 0.00 23.12 23.09 1q4a s ALA 110 CO -0.02 -0.11 -0.19 -1.21 0.00 0.00 0.00 175.76 174.23 1q4a s GLU 111 N -2.51 2.64 -0.22 0.00 2.02 -0.14 -0.67 118.70 119.81 1q4a s GLU 111 Ca -0.01 -0.71 -0.01 0.00 0.02 0.00 0.00 54.97 54.25 1q4a s GLU 111 Cb -0.04 -2.17 0.02 0.00 0.10 0.00 0.00 34.13 32.04 1q4a s GLU 111 CO -0.02 -0.04 -0.11 0.08 0.02 0.00 0.00 175.26 175.20 1q4a s VAL 112 N 0.89 2.66 0.25 2.63 1.01 -0.29 -1.40 120.40 126.15 1q4a s VAL 112 Ca -0.07 -0.90 -0.22 0.00 0.00 0.00 0.00 61.98 60.80 1q4a s VAL 112 Cb -0.15 -2.25 0.03 0.00 0.00 0.00 0.00 36.38 34.01 1q4a s VAL 112 CO -0.02 0.36 0.74 -1.59 0.00 0.00 0.00 175.10 174.60 1q4a s LYS 113 N 1.34 1.66 0.16 2.72 -2.85 -0.68 -1.25 119.74 120.85 1q4a s LYS 113 Ca 0.03 -0.89 -0.22 0.00 -1.00 0.00 0.00 55.97 53.88 1q4a s LYS 113 Cb -0.15 0.58 -0.08 0.00 -2.06 0.00 0.00 37.83 36.12 1q4a s LYS 113 CO -0.07 -0.76 0.71 -0.06 0.10 0.00 0.00 175.35 175.27 1q4a s PHE 114 N -3.81 3.80 -0.33 1.78 0.08 -0.99 -0.82 117.98 117.69 1q4a s PHE 114 Ca 0.10 1.47 0.02 0.00 0.12 0.00 0.00 56.93 58.64 1q4a s PHE 114 Cb -0.05 -2.65 0.10 0.00 -0.57 0.00 0.00 43.02 39.85 1q4a s PHE 114 CO 0.04 0.48 0.07 -1.21 -0.10 0.00 0.00 175.22 174.51 1q4a s GLU 115 N -1.41 1.13 5.30 0.44 0.41 0.36 -4.93 118.70 119.99 1q4a s GLU 115 Ca 0.36 -1.52 0.00 0.00 -0.41 0.00 0.00 54.97 53.40 1q4a s GLU 115 Cb -0.20 -2.65 0.00 0.00 -1.78 0.00 0.00 34.13 29.50 1q4a s GLU 115 CO 0.23 -0.96 0.00 0.41 -0.49 0.00 0.00 175.26 174.44 1q4a n GLY 116 N 4.51 1.46 0.82 -1.39 0.00 -1.26 -2.12 105.19 107.21 1q4a n GLY 116 Ca 0.01 -0.65 0.08 0.00 0.00 0.00 0.00 46.02 45.46 1q4a n GLY 116 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1q4a n ASP 117 N 3.64 2.38 -4.63 1.61 8.00 -1.26 -4.89 116.55 121.39 1q4a n ASP 117 Ca 0.00 -1.97 -0.34 0.00 0.71 0.00 0.00 54.79 53.19 1q4a n ASP 117 Cb 0.00 -0.28 -0.10 0.00 -0.02 0.00 0.00 41.12 40.72 1q4a n ASP 117 CO 0.00 0.00 0.00 -0.89 -0.39 0.00 0.00 177.20 175.92 1q4a s THR 118 N -1.44 4.59 -0.23 -3.53 2.01 -0.90 -4.33 115.64 111.81 1q4a s THR 118 Ca 0.31 -0.11 -0.23 0.00 0.31 0.00 0.00 61.69 61.96 1q4a s THR 118 Cb 0.16 -3.03 -0.01 0.00 0.01 0.00 0.00 72.50 69.63 1q4a s THR 118 CO 0.22 0.50 0.76 -0.22 -0.69 0.00 0.00 174.62 175.18 1q4a s LEU 119 N 0.11 4.10 -0.09 4.42 1.98 -0.28 -0.49 118.68 128.43 1q4a s LEU 119 Ca 0.04 0.96 0.02 0.00 -2.89 0.00 0.00 54.13 52.26 1q4a s LEU 119 Cb -0.13 -3.08 -0.02 0.00 0.66 0.00 0.00 46.19 43.62 1q4a s LEU 119 CO 0.01 -0.44 -0.15 -0.69 -1.89 0.00 0.00 176.35 173.20 1q4a s VAL 120 N 2.55 2.98 -0.31 1.68 1.01 -0.00 -1.11 120.40 127.19 1q4a s VAL 120 Ca 0.33 -0.72 0.02 0.00 0.00 0.00 0.00 61.98 61.60 1q4a s VAL 120 Cb -0.16 -2.20 0.08 0.00 0.00 0.00 0.00 36.38 34.10 1q4a s VAL 120 CO 0.09 0.56 0.01 0.21 0.00 0.00 0.00 175.10 175.96 1q4a s ASN 121 N -0.22 4.75 -0.23 3.32 2.47 -0.15 -1.68 114.94 123.20 1q4a s ASN 121 Ca 0.00 -1.73 -0.09 0.00 0.42 0.00 0.00 52.86 51.46 1q4a s ASN 121 Cb -0.13 -1.64 -0.04 0.00 -1.45 0.00 0.00 41.25 37.98 1q4a s ASN 121 CO 0.03 -0.32 0.11 -0.13 -3.72 0.00 0.00 177.10 173.08 1q4a s ARG 122 N 1.06 3.94 0.02 0.43 0.52 -0.49 -1.19 118.95 123.23 1q4a s ARG 122 Ca 0.01 -0.34 0.04 0.00 -0.52 0.00 0.00 55.73 54.92 1q4a s ARG 122 Cb -0.20 -3.40 -0.02 0.00 0.52 0.00 0.00 34.95 31.85 1q4a s ARG 122 CO -0.05 0.05 -0.13 0.42 0.02 0.00 0.00 175.30 175.61 1q4a s ILE 123 N 1.03 1.01 -0.12 1.52 1.01 0.05 -0.97 121.20 124.74 1q4a s ILE 123 Ca 0.06 -0.76 0.03 0.00 0.00 0.00 0.00 60.65 59.97 1q4a s ILE 123 Cb -0.14 -0.89 0.00 0.00 0.01 0.00 0.00 42.46 41.45 1q4a s ILE 123 CO 0.04 0.12 -0.23 -1.61 0.00 0.00 0.00 174.94 173.26 1q4a s GLU 124 N -0.74 3.06 -0.04 2.79 2.02 -0.18 -1.67 118.70 123.94 1q4a s GLU 124 Ca 0.03 -0.86 0.05 0.00 0.02 0.00 0.00 54.97 54.20 1q4a s GLU 124 Cb -0.06 -2.37 -0.01 0.00 0.10 0.00 0.00 34.13 31.79 1q4a s GLU 124 CO 0.00 0.11 -0.18 -1.17 0.02 0.00 0.00 175.26 174.04 1q4a s LEU 125 N 0.53 1.96 -0.11 1.80 0.20 -0.19 -1.69 118.68 121.18 1q4a s LEU 125 Ca -0.14 -0.37 0.01 0.00 0.69 0.00 0.00 54.13 54.32 1q4a s LEU 125 Cb -0.17 -1.02 0.02 0.00 -0.43 0.00 0.00 46.19 44.59 1q4a s LEU 125 CO 0.05 0.18 -0.11 -0.75 -0.29 0.00 0.00 176.35 175.43 1q4a s LYS 126 N -0.08 1.78 -0.08 1.98 2.47 -0.16 -1.52 119.74 124.13 1q4a s LYS 126 Ca -0.02 -0.38 0.03 0.00 -1.56 0.00 0.00 55.97 54.05 1q4a s LYS 126 Cb -0.11 -1.67 -0.01 0.00 -1.46 0.00 0.00 37.83 34.58 1q4a s LYS 126 CO 0.02 -0.17 -0.18 0.20 0.16 0.00 0.00 175.35 175.37 1q4a s GLY 127 N 1.34 1.44 0.13 5.54 0.00 0.14 -0.12 107.32 115.78 1q4a s GLY 127 Ca -0.01 -0.97 -0.00 0.00 0.00 0.00 0.00 44.72 43.74 1q4a s GLY 127 CO -0.05 -0.49 0.02 -0.26 0.00 0.00 0.00 173.10 172.33 1q4a s ILE 128 N -0.06 0.28 -1.74 0.90 -4.36 -0.70 -1.00 121.20 114.51 1q4a s ILE 128 Ca -0.04 -1.91 0.00 0.00 -0.26 0.00 0.00 60.65 58.43 1q4a s ILE 128 Cb -0.14 -1.96 0.00 0.00 1.25 0.00 0.00 42.46 41.61 1q4a s ILE 128 CO 0.04 -0.57 0.00 0.47 0.24 0.00 0.00 174.94 175.12 1q4a n ASP 129 N -0.09 -5.22 -4.79 4.36 8.00 -1.26 -1.77 116.55 115.77 1q4a n ASP 129 Ca -0.07 0.23 -0.36 0.00 0.71 0.00 0.00 54.79 55.29 1q4a n ASP 129 Cb 0.63 -4.30 -0.06 0.00 -0.02 0.00 0.00 41.12 37.36 1q4a n ASP 129 CO 0.00 0.00 0.00 -0.36 -0.39 0.00 0.00 177.20 176.45 1q4a s PHE 130 N -2.78 3.64 0.02 1.24 0.40 -1.26 -2.90 117.98 116.34 1q4a s PHE 130 Ca 0.00 1.73 -0.29 0.00 -0.60 0.00 0.00 56.93 57.78 1q4a s PHE 130 Cb 0.00 -2.89 -0.04 0.00 0.51 0.00 0.00 43.02 40.60 1q4a s PHE 130 CO 0.00 0.18 0.91 0.15 0.70 0.00 0.00 175.22 177.16 1q4a s LYS 131 N -2.20 4.57 0.52 0.44 1.02 -1.26 -4.89 119.74 117.95 1q4a s LYS 131 Ca 0.51 1.31 0.20 0.00 0.02 0.00 0.00 55.97 58.02 1q4a s LYS 131 Cb -0.17 -3.43 1.33 0.00 -0.52 0.00 0.00 37.83 35.04 1q4a s LYS 131 CO 0.22 0.06 2.08 1.49 -0.92 0.00 0.00 175.35 178.28 1q4a h GLU 132 N 6.41 0.00 -0.38 1.68 4.81 -1.96 -1.20 114.58 123.94 1q4a h GLU 132 Ca -0.42 -0.00 0.00 0.00 -0.13 0.00 0.00 59.36 58.81 1q4a h GLU 132 Cb 1.21 -0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.59 1q4a h GLU 132 CO 0.74 0.00 0.00 -0.40 -0.73 0.00 0.00 179.01 178.62 1q4a n ASP 133 N -4.46 3.88 -2.92 1.04 5.75 -1.26 -3.76 116.55 114.81 1q4a n ASP 133 Ca 0.03 -2.60 -0.14 0.00 -0.01 0.00 0.00 54.79 52.07 1q4a n ASP 133 Cb 0.34 -0.47 0.10 0.00 -1.03 0.00 0.00 41.12 40.07 1q4a n ASP 133 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1q4a n GLY 134 N 0.18 -1.63 0.24 6.12 0.00 -0.45 -4.71 105.19 104.93 1q4a n GLY 134 Ca 0.20 -1.63 0.12 0.00 0.00 0.00 0.00 46.02 44.71 1q4a n GLY 134 CO 0.00 0.00 0.00 3.43 0.00 0.00 0.00 173.32 176.75 1q4a h ASN 135 N -1.07 0.00 0.00 1.61 2.35 -1.93 -0.82 115.58 115.72 1q4a h ASN 135 Ca -0.20 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.55 1q4a h ASN 135 Cb 0.57 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.94 1q4a h ASN 135 CO 0.14 0.15 -0.09 0.40 -1.65 0.00 0.00 177.43 176.38 1q4a h ILE 136 N 0.00 0.00 0.00 2.81 5.03 -1.93 -1.37 117.51 122.06 1q4a h ILE 136 Ca -0.00 -0.32 -0.00 0.00 -0.12 0.00 0.00 64.86 64.41 1q4a h ILE 136 Cb 0.63 0.00 -0.00 0.00 -3.03 0.00 0.00 36.82 34.42 1q4a h ILE 136 CO 0.02 0.00 -0.01 -0.07 -0.68 0.00 0.00 178.15 177.41 1q4a h LEU 137 N -0.32 0.00 -0.55 1.44 3.38 -1.76 -1.47 115.31 116.03 1q4a h LEU 137 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 1q4a h LEU 137 Cb 0.09 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.84 1q4a h LEU 137 CO 0.00 0.01 -0.07 0.61 0.09 0.00 0.00 178.44 179.09 1q4a n GLY 138 N -0.27 -0.49 3.64 0.83 0.00 -0.31 -4.91 105.19 103.69 1q4a n GLY 138 Ca -0.00 -0.36 -0.30 0.00 0.00 0.00 0.00 46.02 45.36 1q4a n GLY 138 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 1q4a n HIS 139 N -0.42 -1.96 -0.24 1.61 8.25 -0.55 -4.90 115.22 117.00 1q4a n HIS 139 Ca 0.18 0.50 0.07 0.00 -0.26 0.00 0.00 57.72 58.21 1q4a n HIS 139 Cb 0.29 -3.53 0.18 0.00 1.12 0.00 0.00 29.99 28.05 1q4a n HIS 139 CO 0.00 0.00 0.00 1.63 0.64 0.00 0.00 176.34 178.61 1q4a n LYS 140 N -4.09 2.87 -3.59 -0.41 5.02 -0.52 -4.99 118.16 112.45 1q4a n LYS 140 Ca -0.10 -2.17 -0.37 0.00 -2.02 0.00 0.00 58.31 53.64 1q4a n LYS 140 Cb 0.60 -1.34 -0.06 0.00 -0.02 0.00 0.00 35.03 34.21 1q4a n LYS 140 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 1q4a s LEU 141 N -1.08 4.40 0.58 -0.35 1.43 -1.25 -0.79 118.68 121.61 1q4a s LEU 141 Ca 0.28 0.75 -0.19 0.00 -1.03 0.00 0.00 54.13 53.94 1q4a s LEU 141 Cb 0.15 -2.42 -0.04 0.00 0.03 0.00 0.00 46.19 43.90 1q4a s LEU 141 CO 0.18 0.29 1.20 -1.61 0.23 0.00 0.00 176.35 176.64 1q4a s GLU 142 N -0.71 3.08 -1.29 1.70 2.02 -0.06 -4.83 118.70 118.62 1q4a s GLU 142 Ca 0.20 1.81 -0.12 0.00 0.02 0.00 0.00 54.97 56.89 1q4a s GLU 142 Cb -0.15 -1.98 0.15 0.00 0.10 0.00 0.00 34.13 32.24 1q4a s GLU 142 CO 0.09 -1.11 1.81 0.98 0.02 0.00 0.00 175.26 177.04 1q4a n TYR 143 N -1.45 3.63 -3.72 1.61 9.36 -1.26 -4.81 117.16 120.51 1q4a n TYR 143 Ca 0.13 -2.96 -0.08 0.00 3.32 0.00 0.00 57.90 58.31 1q4a n TYR 143 Cb 0.49 -2.13 0.01 0.00 -0.63 0.00 0.00 39.34 37.08 1q4a n TYR 143 CO 0.00 0.00 0.00 0.27 0.22 0.00 0.00 176.86 177.35 1q4a n ASN 144 N 4.88 -1.54 -3.70 2.98 0.23 -1.26 -4.85 115.26 112.01 1q4a n ASN 144 Ca 0.41 -2.31 -0.13 0.00 -0.53 0.00 0.00 54.58 52.02 1q4a n ASN 144 Cb 0.39 2.63 -0.09 0.00 -2.08 0.00 0.00 39.78 40.63 1q4a n ASN 144 CO 0.00 0.00 0.00 -0.47 -0.93 0.00 0.00 177.26 175.86 1q4a s TYR 145 N -3.64 -0.58 0.67 -2.53 6.14 -1.26 -4.86 117.35 111.29 1q4a s TYR 145 Ca 0.16 1.39 -0.02 0.00 0.64 0.00 0.00 57.07 59.24 1q4a s TYR 145 Cb -0.03 0.21 0.09 0.00 0.42 0.00 0.00 41.96 42.65 1q4a s TYR 145 CO 0.12 -0.28 0.94 -0.80 0.64 0.00 0.00 175.55 176.16 1q4a s ASN 146 N 0.35 4.67 -0.16 4.32 0.01 -1.26 -4.63 114.94 118.25 1q4a s ASN 146 Ca -0.01 -0.11 -0.10 0.00 -0.71 0.00 0.00 52.86 51.94 1q4a s ASN 146 Cb -0.04 -0.47 -0.05 0.00 0.41 0.00 0.00 41.25 41.11 1q4a s ASN 146 CO -0.00 -1.62 0.17 -0.44 -1.51 0.00 0.00 177.10 173.70 1q4a s SER 147 N -4.61 6.34 0.24 -1.22 0.01 -1.26 -4.33 113.70 108.86 1q4a s SER 147 Ca 0.63 0.40 0.01 0.00 1.31 0.00 0.00 55.95 58.30 1q4a s SER 147 Cb -0.08 -2.11 -0.05 0.00 0.21 0.00 0.00 66.02 64.00 1q4a s SER 147 CO 0.43 0.25 0.08 -1.00 0.41 0.00 0.00 173.24 173.41 1q4a s HIS 148 N -0.18 1.44 -0.14 2.43 3.76 -1.07 -4.95 115.29 116.58 1q4a s HIS 148 Ca 0.13 -1.15 -0.00 0.00 -0.15 0.00 0.00 55.06 53.88 1q4a s HIS 148 Cb -0.12 -0.83 -0.01 0.00 1.11 0.00 0.00 32.58 32.73 1q4a s HIS 148 CO 0.02 -0.32 -0.13 -0.80 -0.85 0.00 0.00 174.74 172.65 1q4a s ASN 149 N -3.27 3.92 -0.30 1.40 0.01 -1.26 -0.97 114.94 114.46 1q4a s ASN 149 Ca 0.35 -0.37 -0.08 0.00 -0.71 0.00 0.00 52.86 52.04 1q4a s ASN 149 Cb 0.07 -1.60 0.00 0.00 0.41 0.00 0.00 41.25 40.13 1q4a s ASN 149 CO 0.11 0.13 0.12 -0.69 -1.51 0.00 0.00 177.10 175.26 1q4a s VAL 150 N 0.54 4.25 -0.16 1.60 1.01 0.51 -4.59 120.40 123.56 1q4a s VAL 150 Ca -0.09 -0.59 -0.17 0.00 0.00 0.00 0.00 61.98 61.14 1q4a s VAL 150 Cb -0.16 -3.19 -0.04 0.00 0.00 0.00 0.00 36.38 32.99 1q4a s VAL 150 CO 0.04 0.06 0.42 -0.31 0.00 0.00 0.00 175.10 175.31 1q4a s TYR 151 N 1.55 3.45 -0.05 5.22 2.02 -0.59 -0.54 117.35 128.41 1q4a s TYR 151 Ca 0.03 0.74 0.06 0.00 -0.37 0.00 0.00 57.07 57.53 1q4a s TYR 151 Cb -0.17 -2.51 -0.02 0.00 -0.40 0.00 0.00 41.96 38.86 1q4a s TYR 151 CO 0.04 0.10 -0.23 0.42 -1.57 0.00 0.00 175.55 174.31 1q4a s ILE 152 N 0.89 2.26 0.04 2.71 1.01 0.03 -1.24 121.20 126.90 1q4a s ILE 152 Ca 0.22 -1.01 0.00 0.00 0.00 0.00 0.00 60.65 59.86 1q4a s ILE 152 Cb -0.15 -1.82 -0.03 0.00 0.01 0.00 0.00 42.46 40.47 1q4a s ILE 152 CO 0.08 0.57 -0.04 -0.04 0.00 0.00 0.00 174.94 175.51 1q4a s MET 153 N -0.38 0.50 0.54 2.79 -1.94 -0.24 -2.09 119.30 118.47 1q4a s MET 153 Ca 0.03 -0.89 -0.18 0.00 -1.71 0.00 0.00 55.69 52.94 1q4a s MET 153 Cb -0.12 0.02 -0.06 0.00 2.01 0.00 0.00 34.83 36.68 1q4a s MET 153 CO 0.02 -0.04 1.06 0.00 -0.01 0.00 0.00 175.02 176.04 1q4a s ALA 154 N -2.38 2.79 -0.54 3.03 0.00 -1.24 -0.88 121.76 122.54 1q4a s ALA 154 Ca -0.05 0.55 0.04 0.00 0.00 0.00 0.00 51.96 52.50 1q4a s ALA 154 Cb -0.03 -3.26 0.17 0.00 0.00 0.00 0.00 23.12 20.00 1q4a s ALA 154 CO -0.04 -0.59 0.40 0.34 0.00 0.00 0.00 175.76 175.87 1q4a s ASP 155 N -2.29 3.09 0.26 0.00 -1.08 0.30 -4.60 116.67 112.35 1q4a s ASP 155 Ca 0.66 -3.38 -0.03 0.00 -0.52 0.00 0.00 52.55 49.28 1q4a s ASP 155 Cb -0.17 -1.01 0.39 0.00 -1.46 0.00 0.00 42.92 40.67 1q4a s ASP 155 CO 0.28 -0.14 1.86 0.11 0.52 0.00 0.00 175.17 177.80 1q4a h LYS 156 N 5.62 1.02 -0.99 4.34 1.57 -1.96 -1.14 116.57 125.03 1q4a h LYS 156 Ca 0.19 -0.06 0.27 0.00 -1.87 0.00 0.00 60.65 59.18 1q4a h LYS 156 Cb 0.84 -0.23 -0.05 0.00 0.08 0.00 0.00 32.23 32.87 1q4a h LYS 156 CO 0.53 0.67 0.69 1.96 -0.57 0.00 0.00 179.45 182.74 1q4a h GLN 157 N 1.05 0.13 -0.04 3.15 4.20 -1.94 -1.25 115.11 120.41 1q4a h GLN 157 Ca 0.41 -0.01 0.00 0.00 0.06 0.00 0.00 58.65 59.11 1q4a h GLN 157 Cb 0.21 -0.03 0.00 0.00 0.30 0.00 0.00 27.48 27.96 1q4a h GLN 157 CO -0.19 0.09 0.00 1.63 -0.67 0.00 0.00 178.83 179.69 1q4a n LYS 158 N -4.35 1.54 -3.62 1.46 5.02 -0.82 -4.98 118.16 112.41 1q4a n LYS 158 Ca 0.22 -1.23 -0.23 0.00 -2.02 0.00 0.00 58.31 55.04 1q4a n LYS 158 Cb 0.97 -1.05 0.07 0.00 -0.02 0.00 0.00 35.03 35.01 1q4a n LYS 158 CO 0.00 0.00 0.00 -1.71 -0.52 0.00 0.00 177.40 175.17 1q4a n ASN 159 N -0.13 -5.17 0.00 4.39 5.15 -0.47 -4.67 115.26 114.35 1q4a n ASN 159 Ca 0.02 -0.60 0.00 0.00 -0.60 0.00 0.00 54.58 53.40 1q4a n ASN 159 Cb 0.20 -4.85 0.00 0.00 -0.53 0.00 0.00 39.78 34.59 1q4a n ASN 159 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 1q4a n GLY 160 N -1.80 4.92 3.10 8.20 0.00 -0.54 -4.30 105.19 114.77 1q4a n GLY 160 Ca -0.05 -0.93 -0.08 0.00 0.00 0.00 0.00 46.02 44.95 1q4a n GLY 160 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 1q4a s ILE 161 N 0.57 0.34 -0.03 -0.61 -4.36 -0.72 -0.54 121.20 115.85 1q4a s ILE 161 Ca 0.00 -1.75 0.08 0.00 -0.26 0.00 0.00 60.65 58.72 1q4a s ILE 161 Cb 0.00 -1.43 -0.02 0.00 1.25 0.00 0.00 42.46 42.26 1q4a s ILE 161 CO 0.00 -0.91 -0.26 -0.54 0.24 0.00 0.00 174.94 173.47 1q4a s LYS 162 N -3.64 2.20 -0.00 0.37 -0.14 -0.05 -1.72 119.74 116.75 1q4a s LYS 162 Ca 0.06 -0.93 0.02 0.00 -1.36 0.00 0.00 55.97 53.76 1q4a s LYS 162 Cb 0.05 -2.06 -0.01 0.00 -1.68 0.00 0.00 37.83 34.13 1q4a s LYS 162 CO -0.08 0.53 -0.06 0.08 -0.76 0.00 0.00 175.35 175.06 1q4a s VAL 163 N -0.52 0.46 -0.02 3.17 1.01 0.18 -1.08 120.40 123.59 1q4a s VAL 163 Ca 0.07 -0.32 -0.07 0.00 0.00 0.00 0.00 61.98 61.67 1q4a s VAL 163 Cb -0.11 -0.40 0.01 0.00 0.00 0.00 0.00 36.38 35.88 1q4a s VAL 163 CO -0.00 0.08 0.16 0.54 0.00 0.00 0.00 175.10 175.88 1q4a s ASN 164 N -0.26 -0.06 -0.00 3.32 4.22 -0.37 -0.72 114.94 121.07 1q4a s ASN 164 Ca 0.01 0.01 -0.30 0.00 -2.14 0.00 0.00 52.86 50.45 1q4a s ASN 164 Cb -0.03 0.27 0.11 0.00 1.28 0.00 0.00 41.25 42.87 1q4a s ASN 164 CO -0.00 -0.26 1.13 0.72 -2.04 0.00 0.00 177.10 176.65 1q4a s PHE 165 N -0.82 -0.12 -0.20 1.54 -0.71 -0.99 -1.55 117.98 115.13 1q4a s PHE 165 Ca -0.09 -0.03 0.00 0.00 -1.04 0.00 0.00 56.93 55.77 1q4a s PHE 165 Cb -0.05 0.57 0.02 0.00 -1.21 0.00 0.00 43.02 42.34 1q4a s PHE 165 CO 0.01 -0.45 -0.16 0.15 -1.34 0.00 0.00 175.22 173.43 1q4a s LYS 166 N -2.76 2.97 -0.05 1.99 1.02 -1.26 -0.66 119.74 120.99 1q4a s LYS 166 Ca 0.11 -0.86 -0.14 0.00 0.02 0.00 0.00 55.97 55.11 1q4a s LYS 166 Cb 0.01 -2.69 -0.05 0.00 -0.52 0.00 0.00 37.83 34.58 1q4a s LYS 166 CO -0.03 -0.25 0.38 0.42 -0.92 0.00 0.00 175.35 174.94 1q4a s ILE 167 N 1.30 5.14 -0.33 2.17 -1.09 -0.26 -4.87 121.20 123.27 1q4a s ILE 167 Ca 0.04 0.75 -0.08 0.00 -2.23 0.00 0.00 60.65 59.13 1q4a s ILE 167 Cb -0.14 -3.69 0.02 0.00 -1.58 0.00 0.00 42.46 37.08 1q4a s ILE 167 CO -0.10 0.52 0.12 -0.13 -1.23 0.00 0.00 174.94 174.11 1q4a s ARG 168 N -0.59 2.86 -0.28 2.79 0.52 -1.26 -0.82 118.95 122.17 1q4a s ARG 168 Ca 0.22 -1.02 -0.11 0.00 -0.52 0.00 0.00 55.73 54.30 1q4a s ARG 168 Cb -0.15 -3.49 -0.05 0.00 0.52 0.00 0.00 34.95 31.78 1q4a s ARG 168 CO 0.11 -0.58 0.19 -1.01 0.02 0.00 0.00 175.30 174.02 1q4a s HIS 169 N 1.48 3.21 0.17 -0.53 3.76 -0.15 -4.39 115.29 118.85 1q4a s HIS 169 Ca 0.01 0.05 -0.31 0.00 -0.15 0.00 0.00 55.06 54.66 1q4a s HIS 169 Cb -0.18 -2.38 -0.10 0.00 1.11 0.00 0.00 32.58 31.03 1q4a s HIS 169 CO 0.04 -0.19 1.50 -0.80 -0.85 0.00 0.00 174.74 174.44 1q4a s ASN 170 N 1.75 6.65 0.12 1.40 0.01 -1.26 -0.19 114.94 123.41 1q4a s ASN 170 Ca 0.07 2.57 -0.06 0.00 -0.71 0.00 0.00 52.86 54.72 1q4a s ASN 170 Cb -0.16 -2.60 -0.06 0.00 0.41 0.00 0.00 41.25 38.85 1q4a s ASN 170 CO 0.10 -0.76 0.38 -0.63 -1.51 0.00 0.00 177.10 174.68 1q4a s ILE 171 N 0.87 5.16 0.54 0.60 1.01 -0.29 -0.88 121.20 128.21 1q4a s ILE 171 Ca 0.66 0.15 0.24 0.00 0.00 0.00 0.00 60.65 61.70 1q4a s ILE 171 Cb -0.42 -3.62 0.36 0.00 0.01 0.00 0.00 42.46 38.79 1q4a s ILE 171 CO 0.34 0.12 2.06 -0.33 0.00 0.00 0.00 174.94 177.12 1q4a h GLU 172 N 3.12 0.00 -0.00 2.79 5.08 -1.28 -0.98 114.58 123.31 1q4a h GLU 172 Ca -0.47 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 57.89 1q4a h GLU 172 Cb 1.17 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.42 1q4a h GLU 172 CO 0.71 0.00 0.00 -0.40 -1.00 0.00 0.00 179.01 178.32 1q4a n ASP 173 N -4.28 0.05 0.00 1.42 5.68 -1.26 -4.87 116.55 113.29 1q4a n ASP 173 Ca 0.05 -1.41 0.00 0.00 -0.50 0.00 0.00 54.79 52.93 1q4a n ASP 173 Cb 0.42 -0.00 0.00 0.00 -1.14 0.00 0.00 41.12 40.39 1q4a n ASP 173 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1q4a n GLY 174 N 0.81 0.14 0.00 6.12 0.00 -0.37 -5.08 105.19 106.80 1q4a n GLY 174 Ca 0.14 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.16 1q4a n GLY 174 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 1q4a n SER 175 N 0.00 0.00 -3.96 1.61 2.88 -1.24 -4.81 113.62 108.10 1q4a n SER 175 Ca 0.00 -0.97 -0.17 0.00 -1.33 0.00 0.00 58.87 56.41 1q4a n SER 175 Cb 0.00 0.00 -0.15 0.00 -0.75 0.00 0.00 64.21 63.31 1q4a n SER 175 CO 0.00 0.00 0.00 0.54 -1.23 0.00 0.00 175.04 174.35 1q4a s VAL 176 N -0.58 0.47 -0.36 2.46 0.11 -1.26 -1.13 120.40 120.11 1q4a s VAL 176 Ca 0.00 -0.23 -0.09 0.00 -2.93 0.00 0.00 61.98 58.73 1q4a s VAL 176 Cb 0.00 -0.42 0.03 0.00 -1.53 0.00 0.00 36.38 34.46 1q4a s VAL 176 CO 0.00 0.15 0.17 -1.58 -3.33 0.00 0.00 175.10 170.51 1q4a s GLN 177 N 0.05 2.80 0.25 1.54 2.00 0.73 -4.90 119.66 122.13 1q4a s GLN 177 Ca -0.00 -1.08 -0.29 0.00 -2.00 0.00 0.00 55.36 51.98 1q4a s GLN 177 Cb -0.04 -3.63 -0.09 0.00 0.80 0.00 0.00 33.01 30.04 1q4a s GLN 177 CO -0.00 -0.67 0.95 -1.17 -0.50 0.00 0.00 175.29 173.90 1q4a s LEU 178 N 1.51 4.60 -0.29 3.68 2.96 -1.26 -0.97 118.68 128.91 1q4a s LEU 178 Ca 0.01 1.95 -0.01 0.00 -0.22 0.00 0.00 54.13 55.86 1q4a s LEU 178 Cb -0.19 -3.67 0.09 0.00 0.50 0.00 0.00 46.19 42.92 1q4a s LEU 178 CO 0.05 0.11 0.08 0.00 -1.32 0.00 0.00 176.35 175.27 1q4a s ALA 179 N -1.24 1.59 -0.16 5.97 0.00 0.00 -1.33 121.76 126.59 1q4a s ALA 179 Ca 0.42 -1.58 -0.28 0.00 0.00 0.00 0.00 51.96 50.52 1q4a s ALA 179 Cb -0.25 -1.57 -0.01 0.00 0.00 0.00 0.00 23.12 21.29 1q4a s ALA 179 CO 0.31 -1.57 0.97 -0.51 0.00 0.00 0.00 175.76 174.96 1q4a s ASP 180 N 1.59 7.12 -0.20 0.00 1.11 -0.20 -1.10 116.67 125.00 1q4a s ASP 180 Ca 0.07 1.39 -0.07 0.00 0.18 0.00 0.00 52.55 54.12 1q4a s ASP 180 Cb -0.17 -2.52 -0.04 0.00 1.07 0.00 0.00 42.92 41.26 1q4a s ASP 180 CO -0.21 -0.49 0.05 -1.00 1.18 0.00 0.00 175.17 174.70 1q4a s HIS 181 N 2.37 3.16 -0.10 4.23 3.76 0.17 -0.71 115.29 128.17 1q4a s HIS 181 Ca 0.44 -0.12 0.04 0.00 -0.15 0.00 0.00 55.06 55.27 1q4a s HIS 181 Cb -0.17 -2.11 0.00 0.00 1.11 0.00 0.00 32.58 31.42 1q4a s HIS 181 CO 0.13 -0.02 -0.22 0.71 -0.85 0.00 0.00 174.74 174.49 1q4a s TYR 182 N 0.73 2.42 0.02 1.40 1.51 -0.46 -2.34 117.35 120.63 1q4a s TYR 182 Ca 0.03 -1.02 -0.00 0.00 -1.01 0.00 0.00 57.07 55.06 1q4a s TYR 182 Cb -0.14 -1.64 -0.02 0.00 -0.11 0.00 0.00 41.96 40.06 1q4a s TYR 182 CO 0.02 -0.43 -0.02 -1.14 -1.11 0.00 0.00 175.55 172.87 1q4a s GLN 183 N 0.46 0.25 -0.00 -0.62 0.74 0.10 -1.25 119.66 119.34 1q4a s GLN 183 Ca -0.17 -0.48 0.01 0.00 0.05 0.00 0.00 55.36 54.78 1q4a s GLN 183 Cb -0.17 0.09 -0.00 0.00 1.10 0.00 0.00 33.01 34.02 1q4a s GLN 183 CO 0.07 -0.04 -0.03 -0.65 -0.55 0.00 0.00 175.29 174.08 1q4a s GLN 184 N -1.16 0.28 -0.04 1.67 -0.21 0.02 -0.64 119.66 119.58 1q4a s GLN 184 Ca -0.13 -0.12 0.04 0.00 0.02 0.00 0.00 55.36 55.17 1q4a s GLN 184 Cb -0.08 -0.27 -0.00 0.00 1.00 0.00 0.00 33.01 33.66 1q4a s GLN 184 CO -0.01 0.07 -0.14 -0.80 -2.12 0.00 0.00 175.29 172.29 1q4a s ASN 185 N -0.05 1.81 -0.00 5.90 -0.87 -0.70 -0.74 114.94 120.29 1q4a s ASN 185 Ca 0.01 -0.29 0.02 0.00 -1.57 0.00 0.00 52.86 51.03 1q4a s ASN 185 Cb -0.02 -0.51 -0.01 0.00 -0.02 0.00 0.00 41.25 40.70 1q4a s ASN 185 CO -0.00 0.12 -0.06 0.42 -2.57 0.00 0.00 177.10 175.00 1q4a s THR 186 N 0.12 0.48 0.50 1.60 -4.23 -0.61 -1.76 115.64 111.75 1q4a s THR 186 Ca -0.04 -0.30 -0.22 0.00 -1.18 0.00 0.00 61.69 59.95 1q4a s THR 186 Cb -0.11 -0.42 -0.06 0.00 1.34 0.00 0.00 72.50 73.25 1q4a s THR 186 CO 0.02 0.11 1.24 -2.16 -0.54 0.00 0.00 174.62 173.29 1q4a s PRO 187 N -0.22 3.47 -0.06 3.99 0.04 -1.26 -0.45 135.00 140.51 1q4a s PRO 187 Ca 0.02 1.96 -0.10 0.00 0.04 0.00 0.00 61.00 62.92 1q4a s PRO 187 Cb -0.03 -2.32 -0.30 0.00 0.04 0.00 0.00 34.50 31.90 1q4a s PRO 187 CO -0.00 -0.84 0.61 0.82 0.04 0.00 0.00 177.00 177.63 1q4a h ILE 188 N 1.65 0.87 -4.11 0.56 2.04 -1.39 -3.45 117.51 113.69 1q4a h ILE 188 Ca -0.50 -2.49 -0.45 0.00 1.00 0.00 0.00 64.86 62.42 1q4a h ILE 188 Cb 1.27 2.71 0.15 0.00 -0.74 0.00 0.00 36.82 40.21 1q4a h ILE 188 CO 0.59 0.87 0.40 -0.83 0.00 0.00 0.00 178.15 179.18 1q4a s GLY 189 N -5.21 1.73 0.00 5.37 0.00 -1.26 -4.99 107.32 102.96 1q4a s GLY 189 Ca -0.17 -1.08 0.19 0.00 0.00 0.00 0.00 44.72 43.66 1q4a s GLY 189 CO 0.84 -0.35 1.06 1.34 0.00 0.00 0.00 173.10 175.99 1q4a n ASP 190 N -3.75 2.37 -4.09 1.64 2.03 -1.26 -5.00 116.55 108.50 1q4a n ASP 190 Ca 0.14 -1.69 -0.29 0.00 0.52 0.00 0.00 54.79 53.47 1q4a n ASP 190 Cb 0.60 0.14 0.25 0.00 -0.72 0.00 0.00 41.12 41.39 1q4a n ASP 190 CO 0.00 0.00 0.00 -0.83 -1.92 0.00 0.00 177.20 174.45 1q4a s GLY 191 N -1.78 1.51 0.45 0.27 0.00 -1.26 -4.99 107.32 101.53 1q4a s GLY 191 Ca 0.21 -0.55 -0.20 0.00 0.00 0.00 0.00 44.72 44.18 1q4a s GLY 191 CO 0.31 0.27 0.96 2.56 0.00 0.00 0.00 173.10 177.21 1q4a s PRO 192 N -4.92 4.14 0.24 2.90 0.04 -1.26 -5.07 135.00 131.08 1q4a s PRO 192 Ca 0.68 1.08 0.05 0.00 0.04 0.00 0.00 61.00 62.85 1q4a s PRO 192 Cb -0.17 -2.17 -0.05 0.00 0.04 0.00 0.00 34.50 32.15 1q4a s PRO 192 CO 0.60 -0.11 -0.03 0.14 0.04 0.00 0.00 177.00 177.64 1q4a s VAL 193 N -2.29 1.25 -0.33 -0.36 -7.23 -1.26 -4.77 120.40 105.41 1q4a s VAL 193 Ca 0.61 -2.07 -0.22 0.00 -1.81 0.00 0.00 61.98 58.50 1q4a s VAL 193 Cb -0.09 -2.36 -0.00 0.00 0.56 0.00 0.00 36.38 34.49 1q4a s VAL 193 CO 0.18 -0.34 0.70 -0.76 -0.31 0.00 0.00 175.10 174.57 1q4a s LEU 194 N -3.35 4.15 -0.24 1.32 1.43 -1.26 -5.03 118.68 115.70 1q4a s LEU 194 Ca 0.28 0.40 -0.18 0.00 -1.03 0.00 0.00 54.13 53.61 1q4a s LEU 194 Cb 0.05 -2.92 -0.03 0.00 0.03 0.00 0.00 46.19 43.32 1q4a s LEU 194 CO 0.09 -0.59 0.51 -0.76 0.23 0.00 0.00 176.35 175.83 1q4a s LEU 195 N 2.82 4.09 0.43 1.79 1.43 -1.26 -3.79 118.68 124.19 1q4a s LEU 195 Ca 0.28 0.56 -0.05 0.00 -1.03 0.00 0.00 54.13 53.89 1q4a s LEU 195 Cb -0.14 -2.66 -0.04 0.00 0.03 0.00 0.00 46.19 43.38 1q4a s LEU 195 CO 0.14 -0.24 0.73 -2.16 0.23 0.00 0.00 176.35 175.04 1q4a s PRO 196 N 2.04 3.57 0.74 1.29 0.04 -1.26 -4.88 135.00 136.53 1q4a s PRO 196 Ca 0.22 0.12 -0.11 0.00 0.04 0.00 0.00 61.00 61.27 1q4a s PRO 196 Cb -0.15 -2.45 0.04 0.00 0.04 0.00 0.00 34.50 31.97 1q4a s PRO 196 CO 0.09 -0.09 1.09 -0.51 0.04 0.00 0.00 177.00 177.62 1q4a s ASP 197 N -3.92 5.04 0.25 6.66 1.01 -1.26 -3.59 116.67 120.86 1q4a s ASP 197 Ca 0.46 1.26 -0.31 0.00 0.71 0.00 0.00 52.55 54.67 1q4a s ASP 197 Cb -0.10 -2.04 -0.12 0.00 1.01 0.00 0.00 42.92 41.66 1q4a s ASP 197 CO 0.41 -1.61 1.59 0.59 0.21 0.00 0.00 175.17 176.36 1q4a n ASN 198 N -3.20 3.60 -2.17 0.27 4.13 -1.26 -4.79 115.26 111.85 1q4a n ASN 198 Ca 0.07 1.12 -0.04 0.00 1.68 0.00 0.00 54.58 57.40 1q4a n ASN 198 Cb 0.56 -1.54 0.02 0.00 -1.54 0.00 0.00 39.78 37.28 1q4a n ASN 198 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 1q4a n HIS 199 N 2.74 -1.55 -4.07 3.10 1.44 -0.89 -4.85 115.22 111.14 1q4a n HIS 199 Ca 0.12 -0.99 -0.10 0.00 -2.01 0.00 0.00 57.72 54.75 1q4a n HIS 199 Cb 0.34 0.49 -0.09 0.00 0.12 0.00 0.00 29.99 30.86 1q4a n HIS 199 CO 0.00 0.00 0.00 1.52 -2.81 0.00 0.00 176.34 175.05 1q4a s TYR 200 N -4.50 0.68 -0.11 -1.40 1.13 -0.77 -0.79 117.35 111.60 1q4a s TYR 200 Ca 0.11 -1.04 0.01 0.00 -1.41 0.00 0.00 57.07 54.74 1q4a s TYR 200 Cb -0.03 -0.28 -0.02 0.00 -1.10 0.00 0.00 41.96 40.53 1q4a s TYR 200 CO 0.06 -0.64 -0.13 -0.51 -2.51 0.00 0.00 175.55 171.82 1q4a s LEU 201 N -3.03 2.74 -0.27 -3.49 1.43 0.30 -0.33 118.68 116.04 1q4a s LEU 201 Ca 0.23 -0.28 -0.11 0.00 -1.03 0.00 0.00 54.13 52.94 1q4a s LEU 201 Cb 0.05 -1.60 -0.05 0.00 0.03 0.00 0.00 46.19 44.62 1q4a s LEU 201 CO 0.03 0.22 0.19 -0.55 0.23 0.00 0.00 176.35 176.47 1q4a s SER 202 N 0.01 6.06 0.22 2.29 0.15 0.39 -0.36 113.70 122.46 1q4a s SER 202 Ca -0.04 0.04 0.11 0.00 0.70 0.00 0.00 55.95 56.75 1q4a s SER 202 Cb -0.14 -2.12 -0.04 0.00 -1.71 0.00 0.00 66.02 62.00 1q4a s SER 202 CO 0.04 -0.03 -0.16 0.42 1.20 0.00 0.00 173.24 174.72 1q4a s THR 203 N 1.59 2.76 -0.17 6.45 -4.23 -0.15 -1.62 115.64 120.27 1q4a s THR 203 Ca 0.08 -2.02 -0.17 0.00 -1.18 0.00 0.00 61.69 58.40 1q4a s THR 203 Cb -0.15 -2.39 0.05 0.00 1.34 0.00 0.00 72.50 71.34 1q4a s THR 203 CO 0.09 -0.22 0.48 0.00 -0.54 0.00 0.00 174.62 174.43 1q4a s GLN 204 N -3.07 0.59 -0.01 3.99 -2.07 -0.51 -2.60 119.66 115.97 1q4a s GLN 204 Ca 0.26 0.61 -0.04 0.00 -1.82 0.00 0.00 55.36 54.37 1q4a s GLN 204 Cb -0.07 0.29 0.00 0.00 -1.09 0.00 0.00 33.01 32.13 1q4a s GLN 204 CO 0.14 -0.08 0.08 -1.12 -1.32 0.00 0.00 175.29 172.99 1q4a s SER 205 N 0.12 0.01 -0.07 12.60 0.01 -1.26 -1.33 113.70 123.79 1q4a s SER 205 Ca -0.01 -0.08 0.03 0.00 1.31 0.00 0.00 55.95 57.19 1q4a s SER 205 Cb -0.03 0.18 0.01 0.00 0.21 0.00 0.00 66.02 66.38 1q4a s SER 205 CO 0.01 -0.19 -0.14 0.00 0.41 0.00 0.00 173.24 173.33 1q4a s ALA 206 N -0.71 1.36 -0.06 1.44 0.00 0.33 -4.44 121.76 119.68 1q4a s ALA 206 Ca -0.08 -0.49 -0.00 0.00 0.00 0.00 0.00 51.96 51.39 1q4a s ALA 206 Cb -0.05 -0.58 -0.03 0.00 0.00 0.00 0.00 23.12 22.46 1q4a s ALA 206 CO 0.00 0.15 -0.01 -0.51 0.00 0.00 0.00 175.76 175.39 1q4a s LEU 207 N 0.56 3.48 0.00 0.00 1.43 -1.26 -1.65 118.68 121.25 1q4a s LEU 207 Ca -0.14 0.07 -0.03 0.00 -1.03 0.00 0.00 54.13 53.00 1q4a s LEU 207 Cb -0.15 -1.85 0.01 0.00 0.03 0.00 0.00 46.19 44.23 1q4a s LEU 207 CO 0.04 0.35 0.48 -1.54 0.23 0.00 0.00 176.35 175.91 1q4a n SER 208 N 1.95 -1.35 -4.24 2.29 3.41 -0.07 -4.93 113.62 110.68 1q4a n SER 208 Ca -0.17 -2.71 -0.23 0.00 -0.26 0.00 0.00 58.87 55.50 1q4a n SER 208 Cb 0.53 2.48 -0.13 0.00 -0.26 0.00 0.00 64.21 66.83 1q4a n SER 208 CO 0.00 0.00 0.00 -0.54 -0.16 0.00 0.00 175.04 174.34 1q4a s LYS 209 N -2.66 1.08 -0.36 4.33 -0.14 -1.26 -1.66 119.74 119.08 1q4a s LYS 209 Ca 0.25 -1.03 -0.24 0.00 -1.36 0.00 0.00 55.97 53.60 1q4a s LYS 209 Cb -0.01 -1.24 0.01 0.00 -1.68 0.00 0.00 37.83 34.91 1q4a s LYS 209 CO 0.18 0.29 0.81 0.34 -0.76 0.00 0.00 175.35 176.21 1q4a s ASP 210 N -1.64 6.59 0.60 2.83 -1.08 -1.26 -4.94 116.67 117.77 1q4a s ASP 210 Ca 0.04 0.44 0.29 0.00 -0.52 0.00 0.00 52.55 52.80 1q4a s ASP 210 Cb -0.09 -2.41 1.63 0.00 -1.46 0.00 0.00 42.92 40.58 1q4a s ASP 210 CO 0.03 -0.74 2.04 1.55 0.52 0.00 0.00 175.17 178.57 1q4a h PRO 211 N 8.43 0.00 -0.36 4.34 0.13 -2.04 -1.43 132.00 141.07 1q4a h PRO 211 Ca -0.24 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.89 1q4a h PRO 211 Cb 1.09 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.22 1q4a h PRO 211 CO 0.92 0.00 0.00 0.09 -0.23 0.00 0.00 178.00 178.78 1q4a n ASN 212 N -3.70 3.39 -4.58 1.44 3.02 -1.26 -4.90 115.26 108.67 1q4a n ASN 212 Ca 0.03 -1.99 -0.39 0.00 -0.03 0.00 0.00 54.58 52.20 1q4a n ASN 212 Cb 0.41 -0.23 -0.10 0.00 -0.61 0.00 0.00 39.78 39.26 1q4a n ASN 212 CO 0.00 0.00 0.00 -0.70 -2.62 0.00 0.00 177.26 173.94 1q4a s GLU 213 N -1.54 3.87 0.05 3.52 2.56 -0.54 -4.95 118.70 121.66 1q4a s GLU 213 Ca 0.38 -0.18 0.23 0.00 0.00 0.00 0.00 54.97 55.40 1q4a s GLU 213 Cb 0.23 -3.70 0.06 0.00 2.00 0.00 0.00 34.13 32.72 1q4a s GLU 213 CO 0.32 -0.33 1.04 1.63 -0.56 0.00 0.00 175.26 177.36 1q4a n LYS 214 N 5.28 0.27 -1.90 4.30 4.76 -1.26 -4.88 118.16 124.72 1q4a n LYS 214 Ca -0.10 -0.00 -0.31 0.00 -2.87 0.00 0.00 58.31 55.02 1q4a n LYS 214 Cb 0.51 -1.59 0.01 0.00 -1.84 0.00 0.00 35.03 32.12 1q4a n LYS 214 CO 0.00 0.00 0.00 1.03 -1.37 0.00 0.00 177.40 177.06 1q4a s ARG 215 N -3.18 3.42 0.00 1.97 0.52 -1.26 -4.98 118.95 115.44 1q4a s ARG 215 Ca 0.04 0.92 -0.30 0.00 -0.52 0.00 0.00 55.73 55.87 1q4a s ARG 215 Cb 0.14 -2.06 -0.06 0.00 0.52 0.00 0.00 34.95 33.50 1q4a s ARG 215 CO 0.80 -0.71 1.40 0.34 0.02 0.00 0.00 175.30 177.15 1q4a s ASP 216 N -3.65 6.85 0.32 0.23 -1.08 -1.26 -4.96 116.67 113.12 1q4a s ASP 216 Ca 0.58 2.12 -0.14 0.00 -0.52 0.00 0.00 52.55 54.59 1q4a s ASP 216 Cb -0.12 -2.56 0.02 0.00 -1.46 0.00 0.00 42.92 38.80 1q4a s ASP 216 CO 0.47 -0.72 0.63 -1.38 0.52 0.00 0.00 175.17 174.70 1q4a s HIS 217 N 2.39 0.30 -0.12 -5.34 -3.43 -1.26 -1.28 115.29 106.55 1q4a s HIS 217 Ca 0.64 -0.76 -0.07 0.00 -0.80 0.00 0.00 55.06 54.07 1q4a s HIS 217 Cb -0.32 0.47 0.04 0.00 -1.43 0.00 0.00 32.58 31.35 1q4a s HIS 217 CO 0.27 -1.27 0.28 1.41 -2.00 0.00 0.00 174.74 173.43 1q4a s MET 218 N -3.25 0.26 -0.15 -0.38 1.75 -0.33 -4.98 119.30 112.22 1q4a s MET 218 Ca 0.19 0.54 -0.05 0.00 -1.25 0.00 0.00 55.69 55.12 1q4a s MET 218 Cb -0.03 -0.05 -0.04 0.00 2.84 0.00 0.00 34.83 37.55 1q4a s MET 218 CO 0.12 -0.14 0.03 0.08 -0.65 0.00 0.00 175.02 174.46 1q4a s VAL 219 N 1.05 4.48 -0.05 10.11 1.01 -0.66 -0.38 120.40 135.94 1q4a s VAL 219 Ca -0.07 -0.15 0.03 0.00 0.00 0.00 0.00 61.98 61.79 1q4a s VAL 219 Cb -0.08 -2.98 0.00 0.00 0.00 0.00 0.00 36.38 33.33 1q4a s VAL 219 CO -0.07 0.51 -0.15 -0.22 0.00 0.00 0.00 175.10 175.16 1q4a s LEU 220 N 0.06 1.82 -0.13 3.92 2.96 0.19 -0.89 118.68 126.60 1q4a s LEU 220 Ca 0.03 -0.33 0.01 0.00 -0.22 0.00 0.00 54.13 53.62 1q4a s LEU 220 Cb -0.13 -0.91 0.02 0.00 0.50 0.00 0.00 46.19 45.67 1q4a s LEU 220 CO 0.01 0.10 -0.14 -0.22 -1.32 0.00 0.00 176.35 174.79 1q4a s LEU 221 N 0.31 1.64 0.01 -0.68 2.96 -0.66 -1.31 118.68 120.96 1q4a s LEU 221 Ca -0.09 -0.44 0.01 0.00 -0.22 0.00 0.00 54.13 53.39 1q4a s LEU 221 Cb -0.13 -1.10 -0.01 0.00 0.50 0.00 0.00 46.19 45.45 1q4a s LEU 221 CO 0.03 -0.03 -0.04 -0.70 -1.32 0.00 0.00 176.35 174.30 1q4a s GLU 222 N 1.28 0.29 -0.05 1.98 2.12 -0.32 -0.51 118.70 123.48 1q4a s GLU 222 Ca -0.00 -0.36 0.02 0.00 0.36 0.00 0.00 54.97 54.99 1q4a s GLU 222 Cb -0.14 -0.12 0.01 0.00 0.26 0.00 0.00 34.13 34.14 1q4a s GLU 222 CO -0.06 0.02 -0.10 -0.06 -0.54 0.00 0.00 175.26 174.52 1q4a s PHE 223 N -0.70 1.15 -0.02 5.30 0.08 -0.44 -0.80 117.98 122.55 1q4a s PHE 223 Ca -0.06 -0.36 0.00 0.00 0.12 0.00 0.00 56.93 56.63 1q4a s PHE 223 Cb -0.05 -0.86 0.02 0.00 -0.57 0.00 0.00 43.02 41.56 1q4a s PHE 223 CO -0.00 -0.20 0.02 0.08 -0.10 0.00 0.00 175.22 175.02 1q4a s VAL 224 N 0.54 -0.02 -0.03 -0.44 1.01 -0.35 -1.42 120.40 119.69 1q4a s VAL 224 Ca -0.10 0.16 0.03 0.00 0.00 0.00 0.00 61.98 62.07 1q4a s VAL 224 Cb -0.13 -0.09 0.00 0.00 0.00 0.00 0.00 36.38 36.16 1q4a s VAL 224 CO 0.02 0.08 -0.11 -0.89 0.00 0.00 0.00 175.10 174.20 1q4a s THR 225 N 0.87 0.96 0.41 3.92 2.01 -0.64 -1.03 115.64 122.14 1q4a s THR 225 Ca -0.07 -0.45 -0.23 0.00 0.31 0.00 0.00 61.69 61.25 1q4a s THR 225 Cb -0.11 -0.85 -0.10 0.00 0.01 0.00 0.00 72.50 71.46 1q4a s THR 225 CO -0.02 0.29 0.99 0.00 -0.69 0.00 0.00 174.62 175.19 1q4a s ALA 226 N 0.21 3.06 0.13 7.40 0.00 0.15 -0.46 121.76 132.26 1q4a s ALA 226 Ca -0.04 0.55 -0.04 0.00 0.00 0.00 0.00 51.96 52.42 1q4a s ALA 226 Cb -0.10 -3.21 0.02 0.00 0.00 0.00 0.00 23.12 19.83 1q4a s ALA 226 CO 0.01 -0.03 0.25 0.00 0.00 0.00 0.00 175.76 175.99 1q4a n ALA 227 N -0.26 -0.50 -0.11 0.00 0.00 0.55 -4.58 120.51 115.61 1q4a n ALA 227 Ca 0.06 -0.46 0.00 0.00 0.00 0.00 0.00 53.44 53.04 1q4a n ALA 227 Cb 0.52 0.37 0.00 0.00 0.00 0.00 0.00 19.45 20.33 1q4a n ALA 227 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1q4a n GLY 228 N -0.19 0.53 2.84 0.00 0.00 -1.26 -1.84 105.19 105.28 1q4a n GLY 228 Ca -0.02 0.00 -0.19 0.00 0.00 0.00 0.00 46.02 45.81 1q4a n GLY 228 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1q4a s ILE 229 N -2.23 0.35 -0.86 -0.61 1.01 -1.26 -4.89 121.20 112.71 1q4a s ILE 229 Ca 0.00 0.01 0.07 0.00 0.00 0.00 0.00 60.65 60.73 1q4a s ILE 229 Cb 0.00 -0.43 0.05 0.00 0.01 0.00 0.00 42.46 42.10 1q4a s ILE 229 CO 0.00 0.19 0.72 0.35 0.00 0.00 0.00 174.94 176.20