#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1qy6 s ILE 2 N 0.00 4.35 0.40 1.55 -1.09 -1.20 -2.63 121.20 122.59 1qy6 s ILE 2 Ca 0.00 1.71 0.04 0.00 -2.23 0.00 0.00 60.65 60.17 1qy6 s ILE 2 Cb 0.00 -4.10 -0.05 0.00 -1.58 0.00 0.00 42.46 36.73 1qy6 s ILE 2 CO 0.00 0.15 0.05 -0.76 -1.23 0.00 0.00 174.94 173.15 1qy6 s LEU 3 N 0.92 2.34 0.34 2.97 1.02 -1.26 -4.52 118.68 120.48 1qy6 s LEU 3 Ca 0.55 -1.49 0.09 0.00 0.02 0.00 0.00 54.13 53.30 1qy6 s LEU 3 Cb -0.26 -0.53 0.84 0.00 0.02 0.00 0.00 46.19 46.26 1qy6 s LEU 3 CO 0.29 -0.69 1.80 -0.65 0.02 0.00 0.00 176.35 177.13 1qy6 h PRO 4 N 1.80 0.65 -5.39 1.29 0.11 -1.96 -3.28 132.00 125.21 1qy6 h PRO 4 Ca -0.41 -0.04 -0.64 0.00 0.11 0.00 0.00 66.00 65.02 1qy6 h PRO 4 Cb 1.26 -0.15 -0.15 0.00 0.11 0.00 0.00 31.00 32.08 1qy6 h PRO 4 CO 0.71 0.43 0.48 1.21 -0.21 0.00 0.00 178.00 180.61 1qy6 s ASN 5 N -5.48 6.20 -0.53 -2.05 2.47 -1.26 -4.94 114.94 109.35 1qy6 s ASN 5 Ca -0.10 -0.95 0.04 0.00 0.42 0.00 0.00 52.86 52.26 1qy6 s ASN 5 Cb 0.24 -2.40 0.14 0.00 -1.45 0.00 0.00 41.25 37.78 1qy6 s ASN 5 CO 0.80 -1.35 0.28 0.21 -3.72 0.00 0.00 177.10 173.32 1qy6 s ASN 6 N 3.52 4.25 -0.47 -4.21 3.04 -1.24 -2.63 114.94 117.20 1qy6 s ASN 6 Ca 0.22 -3.06 0.03 0.00 0.04 0.00 0.00 52.86 50.08 1qy6 s ASN 6 Cb -0.17 -1.55 0.13 0.00 -1.54 0.00 0.00 41.25 38.12 1qy6 s ASN 6 CO 0.11 -0.22 0.24 -0.62 -3.04 0.00 0.00 177.10 173.57 1qy6 s ASP 7 N -0.34 3.97 0.00 -4.21 3.68 -1.26 -5.03 116.67 113.48 1qy6 s ASP 7 Ca 0.18 -2.74 0.05 0.00 2.13 0.00 0.00 52.55 52.17 1qy6 s ASP 7 Cb -0.23 -1.30 -0.02 0.00 -1.45 0.00 0.00 42.92 39.92 1qy6 s ASP 7 CO -0.02 -0.26 -0.16 -0.13 0.13 0.00 0.00 175.17 174.73 1qy6 s ARG 8 N 0.14 1.25 0.02 4.34 0.52 -1.26 -1.61 118.95 122.34 1qy6 s ARG 8 Ca 0.17 -0.66 0.06 0.00 -0.52 0.00 0.00 55.73 54.78 1qy6 s ARG 8 Cb -0.25 -1.23 -0.02 0.00 0.52 0.00 0.00 34.95 33.97 1qy6 s ARG 8 CO -0.01 0.33 -0.18 -1.01 0.02 0.00 0.00 175.30 174.45 1qy6 s HIS 9 N -0.52 1.59 0.07 -0.53 3.76 -0.48 -4.95 115.29 114.23 1qy6 s HIS 9 Ca 0.06 -0.34 -0.23 0.00 -0.15 0.00 0.00 55.06 54.40 1qy6 s HIS 9 Cb -0.07 -0.98 -0.06 0.00 1.11 0.00 0.00 32.58 32.58 1qy6 s HIS 9 CO 0.00 0.03 0.71 -1.14 -0.85 0.00 0.00 174.74 173.49 1qy6 s GLN 10 N -0.85 4.44 -0.34 1.40 0.74 -1.26 -0.25 119.66 123.54 1qy6 s GLN 10 Ca 0.06 0.98 -0.12 0.00 0.05 0.00 0.00 55.36 56.32 1qy6 s GLN 10 Cb -0.08 -3.31 -0.01 0.00 1.10 0.00 0.00 33.01 30.71 1qy6 s GLN 10 CO 0.01 0.43 0.23 0.42 -0.55 0.00 0.00 175.29 175.83 1qy6 s ILE 11 N -0.52 5.17 -0.14 -2.34 -1.09 0.30 -4.94 121.20 117.65 1qy6 s ILE 11 Ca 0.35 -0.29 0.07 0.00 -2.23 0.00 0.00 60.65 58.55 1qy6 s ILE 11 Cb -0.21 -3.67 -0.23 0.00 -1.58 0.00 0.00 42.46 36.77 1qy6 s ILE 11 CO 0.22 -0.02 0.29 0.35 -1.23 0.00 0.00 174.94 174.55 1qy6 n THR 12 N 5.09 1.59 -3.30 2.92 -2.24 -1.26 -4.43 114.28 112.64 1qy6 n THR 12 Ca -0.13 -0.73 -0.45 0.00 -2.27 0.00 0.00 64.05 60.47 1qy6 n THR 12 Cb 0.49 -1.17 -0.00 0.00 -2.10 0.00 0.00 70.33 67.55 1qy6 n THR 12 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 1qy6 s ASP 13 N -6.30 7.26 0.30 3.42 3.68 -1.26 -4.88 116.67 118.89 1qy6 s ASP 13 Ca -0.16 -3.48 0.25 0.00 2.13 0.00 0.00 52.55 51.29 1qy6 s ASP 13 Cb 0.07 -2.23 1.04 0.00 -1.45 0.00 0.00 42.92 40.35 1qy6 s ASP 13 CO 0.77 -0.35 1.75 0.71 0.13 0.00 0.00 175.17 178.18 1qy6 h THR 14 N 3.84 0.00 -0.67 1.71 1.35 -1.87 -3.14 112.91 114.13 1qy6 h THR 14 Ca 0.19 -0.26 0.00 0.00 -0.55 0.00 0.00 66.41 65.78 1qy6 h THR 14 Cb 0.89 1.02 0.00 0.00 -1.73 0.00 0.00 68.15 68.33 1qy6 h THR 14 CO 1.02 0.00 0.00 0.35 -0.25 0.00 0.00 175.52 176.64 1qy6 n THR 15 N -2.34 1.19 -4.02 6.82 -2.24 -1.26 -2.11 114.28 110.32 1qy6 n THR 15 Ca 0.02 -0.99 -0.36 0.00 -2.27 0.00 0.00 64.05 60.45 1qy6 n THR 15 Cb 0.24 0.34 -0.07 0.00 -2.10 0.00 0.00 70.33 68.74 1qy6 n THR 15 CO 0.00 0.00 0.00 0.21 -0.57 0.00 0.00 175.07 174.71 1qy6 s ASN 16 N -0.96 5.99 0.91 3.42 2.47 -1.19 -4.70 114.94 120.89 1qy6 s ASN 16 Ca 0.47 0.34 0.00 0.00 0.42 0.00 0.00 52.86 54.09 1qy6 s ASN 16 Cb 0.27 -1.89 0.00 0.00 -1.45 0.00 0.00 41.25 38.17 1qy6 s ASN 16 CO 0.29 0.37 0.00 0.61 -3.72 0.00 0.00 177.10 174.65 1qy6 n GLY 17 N 2.21 1.94 0.00 1.21 0.00 -1.26 -3.00 105.19 106.29 1qy6 n GLY 17 Ca -0.19 -0.52 0.13 0.00 0.00 0.00 0.00 46.02 45.44 1qy6 n GLY 17 CO 0.00 0.00 0.00 -2.39 0.00 0.00 0.00 173.32 170.93 1qy6 n HIS 18 N 7.56 0.00 0.12 1.61 1.44 -1.26 -3.73 115.22 120.96 1qy6 n HIS 18 Ca 0.00 0.00 -0.00 0.00 -2.01 0.00 0.00 57.72 55.71 1qy6 n HIS 18 Cb 0.00 -0.02 0.06 0.00 0.12 0.00 0.00 29.99 30.15 1qy6 n HIS 18 CO 0.00 0.00 0.00 1.88 -2.81 0.00 0.00 176.34 175.41 1qy6 h TYR 19 N 0.00 0.00 -0.85 -1.40 -1.99 -1.77 -3.38 116.97 107.57 1qy6 h TYR 19 Ca 0.00 0.00 0.17 0.00 2.00 0.00 0.00 58.73 60.90 1qy6 h TYR 19 Cb 0.01 0.00 -0.16 0.00 2.00 0.00 0.00 36.73 38.58 1qy6 h TYR 19 CO 0.00 0.65 -0.20 0.00 -0.00 0.00 0.00 178.16 178.61 1qy6 h ALA 20 N 1.35 0.59 0.00 3.88 0.00 -1.51 -0.24 119.26 123.33 1qy6 h ALA 20 Ca -0.01 0.33 0.00 0.00 0.00 0.00 0.00 54.91 55.23 1qy6 h ALA 20 Cb 1.37 0.64 0.00 0.00 0.00 0.00 0.00 17.79 19.80 1qy6 h ALA 20 CO 0.08 -0.40 0.00 -0.35 0.00 0.00 0.00 179.25 178.58 1qy6 n PRO 21 N -5.54 0.35 -2.16 0.00 -0.04 -1.26 -3.51 135.00 122.84 1qy6 n PRO 21 Ca 0.13 0.07 -0.42 0.00 -0.04 0.00 0.00 63.50 63.24 1qy6 n PRO 21 Cb 0.44 -1.50 -0.03 0.00 -0.04 0.00 0.00 33.50 32.37 1qy6 n PRO 21 CO 0.00 0.00 0.00 0.08 -0.04 0.00 0.00 175.50 175.54 1qy6 s VAL 22 N -2.52 3.31 0.03 0.52 1.01 -0.10 -2.01 120.40 120.63 1qy6 s VAL 22 Ca 0.22 0.92 0.08 0.00 0.00 0.00 0.00 61.98 63.19 1qy6 s VAL 22 Cb 0.15 -3.59 -0.02 0.00 0.00 0.00 0.00 36.38 32.92 1qy6 s VAL 22 CO 0.33 0.06 -0.22 -0.89 0.00 0.00 0.00 175.10 174.38 1qy6 s THR 23 N 1.28 1.79 -0.12 3.92 2.01 -0.13 -1.62 115.64 122.78 1qy6 s THR 23 Ca 0.65 -1.17 -0.15 0.00 0.31 0.00 0.00 61.69 61.33 1qy6 s THR 23 Cb -0.37 -1.53 -0.05 0.00 0.01 0.00 0.00 72.50 70.56 1qy6 s THR 23 CO 0.30 0.32 0.35 -0.47 -0.69 0.00 0.00 174.62 174.42 1qy6 s TYR 24 N -0.73 3.52 -0.03 4.92 5.04 -1.03 -1.75 117.35 127.31 1qy6 s TYR 24 Ca 0.09 0.72 0.07 0.00 -2.44 0.00 0.00 57.07 55.51 1qy6 s TYR 24 Cb -0.09 -2.36 -0.02 0.00 0.35 0.00 0.00 41.96 39.84 1qy6 s TYR 24 CO 0.01 0.31 -0.26 0.42 -1.34 0.00 0.00 175.55 174.70 1qy6 s ILE 25 N 0.19 2.03 -0.12 3.14 1.01 -0.19 -1.03 121.20 126.23 1qy6 s ILE 25 Ca 0.20 -1.09 -0.01 0.00 0.00 0.00 0.00 60.65 59.75 1qy6 s ILE 25 Cb -0.14 -1.69 0.03 0.00 0.01 0.00 0.00 42.46 40.67 1qy6 s ILE 25 CO 0.07 0.57 -0.06 -1.58 0.00 0.00 0.00 174.94 173.94 1qy6 s GLN 26 N -0.50 1.35 -0.47 2.79 0.74 -0.74 -0.96 119.66 121.89 1qy6 s GLN 26 Ca 0.07 -0.26 -0.11 0.00 0.05 0.00 0.00 55.36 55.10 1qy6 s GLN 26 Cb -0.11 -1.61 0.10 0.00 1.10 0.00 0.00 33.01 32.50 1qy6 s GLN 26 CO 0.00 -0.32 0.35 0.08 -0.55 0.00 0.00 175.29 174.85 1qy6 s VAL 27 N 1.73 4.54 -1.13 1.34 1.01 0.25 -1.52 120.40 126.63 1qy6 s VAL 27 Ca 0.04 -1.51 -0.17 0.00 0.00 0.00 0.00 61.98 60.34 1qy6 s VAL 27 Cb -0.13 -3.86 0.12 0.00 0.00 0.00 0.00 36.38 32.51 1qy6 s VAL 27 CO -0.08 -0.67 1.42 -1.61 0.00 0.00 0.00 175.10 174.16 1qy6 s GLU 28 N 1.46 3.87 0.50 2.72 2.02 -0.38 -1.52 118.70 127.36 1qy6 s GLU 28 Ca 0.04 -2.03 -0.06 0.00 0.02 0.00 0.00 54.97 52.95 1qy6 s GLU 28 Cb -0.26 -5.17 -0.04 0.00 0.10 0.00 0.00 34.13 28.77 1qy6 s GLU 28 CO 0.02 -1.94 0.82 0.00 0.02 0.00 0.00 175.26 174.18 1qy6 s ALA 29 N 2.94 3.36 -0.00 5.21 0.00 -0.92 -4.86 121.76 127.49 1qy6 s ALA 29 Ca 0.43 -0.45 0.32 0.00 0.00 0.00 0.00 51.96 52.26 1qy6 s ALA 29 Cb -0.01 -2.65 1.35 0.00 0.00 0.00 0.00 23.12 21.81 1qy6 s ALA 29 CO -0.02 -0.39 1.94 -1.00 0.00 0.00 0.00 175.76 176.29 1qy6 h PRO 30 N 0.18 0.00 0.00 0.00 0.13 -1.97 -2.67 132.00 127.67 1qy6 h PRO 30 Ca -0.47 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.66 1qy6 h PRO 30 Cb 1.20 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.33 1qy6 h PRO 30 CO 0.62 0.00 -0.38 0.25 -0.23 0.00 0.00 178.00 178.26 1qy6 n THR 31 N -2.87 0.04 0.00 1.56 -2.24 -1.26 -5.02 114.28 104.49 1qy6 n THR 31 Ca 0.01 -0.03 0.00 0.00 -2.27 0.00 0.00 64.05 61.76 1qy6 n THR 31 Cb 0.26 0.02 0.00 0.00 -2.10 0.00 0.00 70.33 68.52 1qy6 n THR 31 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1qy6 n GLY 32 N 1.48 2.19 3.57 3.38 0.00 -1.01 -5.12 105.19 109.69 1qy6 n GLY 32 Ca 0.06 -1.33 -0.36 0.00 0.00 0.00 0.00 46.02 44.38 1qy6 n GLY 32 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1qy6 s THR 33 N -1.97 4.93 -0.18 2.61 2.01 -1.26 -2.16 115.64 119.61 1qy6 s THR 33 Ca 0.00 0.03 -0.13 0.00 0.31 0.00 0.00 61.69 61.90 1qy6 s THR 33 Cb 0.00 -3.30 -0.05 0.00 0.01 0.00 0.00 72.50 69.17 1qy6 s THR 33 CO 0.00 0.34 0.27 0.12 -0.69 0.00 0.00 174.62 174.66 1qy6 s PHE 34 N 1.26 3.42 -0.02 4.92 5.36 -0.58 -4.93 117.98 127.41 1qy6 s PHE 34 Ca 0.06 0.51 0.01 0.00 -0.96 0.00 0.00 56.93 56.55 1qy6 s PHE 34 Cb -0.14 -2.34 -0.03 0.00 -0.34 0.00 0.00 43.02 40.16 1qy6 s PHE 34 CO 0.05 0.17 -0.01 0.96 -1.46 0.00 0.00 175.22 174.93 1qy6 s ILE 35 N 0.70 4.09 0.00 3.12 -4.36 -1.26 -0.58 121.20 122.90 1qy6 s ILE 35 Ca 0.15 -0.55 0.00 0.00 -0.26 0.00 0.00 60.65 59.99 1qy6 s ILE 35 Cb -0.13 -2.79 0.00 0.00 1.25 0.00 0.00 42.46 40.79 1qy6 s ILE 35 CO 0.04 0.43 0.00 0.00 0.24 0.00 0.00 174.94 175.65 1qy6 n ALA 36 N 1.60 0.00 -2.44 2.27 0.00 -0.13 -4.28 120.51 117.54 1qy6 n ALA 36 Ca -0.16 0.00 -0.23 0.00 0.00 0.00 0.00 53.44 53.05 1qy6 n ALA 36 Cb 0.53 0.00 -0.08 0.00 0.00 0.00 0.00 19.45 19.90 1qy6 n ALA 36 CO 0.00 0.00 0.00 -1.12 0.00 0.00 0.00 177.50 176.38 1qy6 s SER 37 N -0.57 2.40 0.00 0.00 0.01 -0.05 -1.02 113.70 114.47 1qy6 s SER 37 Ca 0.00 -1.69 0.00 0.00 1.31 0.00 0.00 55.95 55.57 1qy6 s SER 37 Cb 0.00 0.52 0.00 0.00 0.21 0.00 0.00 66.02 66.75 1qy6 s SER 37 CO 0.00 -0.97 0.00 0.61 0.41 0.00 0.00 173.24 173.29 1qy6 n GLY 38 N -0.81 -1.22 2.95 3.44 0.00 -0.71 -4.33 105.19 104.51 1qy6 n GLY 38 Ca -0.02 -1.03 -0.13 0.00 0.00 0.00 0.00 46.02 44.84 1qy6 n GLY 38 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1qy6 s VAL 39 N -2.04 -0.03 -0.02 1.61 0.11 -0.91 -0.95 120.40 118.17 1qy6 s VAL 39 Ca 0.00 0.11 -0.30 0.00 -2.93 0.00 0.00 61.98 58.86 1qy6 s VAL 39 Cb 0.00 -0.22 -0.03 0.00 -1.53 0.00 0.00 36.38 34.60 1qy6 s VAL 39 CO 0.00 0.04 1.13 -0.69 -3.33 0.00 0.00 175.10 172.25 1qy6 s VAL 40 N 0.73 4.39 0.00 2.04 1.01 -0.85 -1.06 120.40 126.66 1qy6 s VAL 40 Ca -0.05 1.71 0.00 0.00 0.00 0.00 0.00 61.98 63.64 1qy6 s VAL 40 Cb -0.07 -4.10 0.00 0.00 0.00 0.00 0.00 36.38 32.21 1qy6 s VAL 40 CO -0.03 0.06 0.64 1.33 0.00 0.00 0.00 175.10 177.09 1qy6 n VAL 41 N 4.30 0.40 -3.83 2.92 0.24 -0.36 -1.76 118.33 120.25 1qy6 n VAL 41 Ca 0.09 -0.54 -0.07 0.00 -2.04 0.00 0.00 64.34 61.78 1qy6 n VAL 41 Cb 0.47 0.93 0.02 0.00 -1.47 0.00 0.00 33.84 33.79 1qy6 n VAL 41 CO 0.00 0.00 0.00 -0.83 -2.14 0.00 0.00 176.83 173.86 1qy6 s GLY 42 N -0.40 0.23 0.30 7.63 0.00 -1.11 -4.39 107.32 109.56 1qy6 s GLY 42 Ca 0.00 -0.55 0.03 0.00 0.00 0.00 0.00 44.72 44.20 1qy6 s GLY 42 CO 0.00 0.49 1.82 1.70 0.00 0.00 0.00 173.10 177.11 1qy6 h LYS 43 N 2.00 0.88 0.00 2.90 3.64 -1.89 -3.20 116.57 120.90 1qy6 h LYS 43 Ca -0.29 -0.05 0.00 0.00 -1.27 0.00 0.00 60.65 59.03 1qy6 h LYS 43 Cb 1.24 -0.20 0.00 0.00 -0.41 0.00 0.00 32.23 32.86 1qy6 h LYS 43 CO 0.37 0.58 0.00 -0.25 -2.27 0.00 0.00 179.45 177.88 1qy6 n ASP 44 N -4.65 1.04 -4.43 4.20 8.00 -1.26 -0.50 116.55 118.94 1qy6 n ASP 44 Ca 0.20 -1.52 -0.29 0.00 0.71 0.00 0.00 54.79 53.90 1qy6 n ASP 44 Cb 0.43 0.00 -0.12 0.00 -0.02 0.00 0.00 41.12 41.41 1qy6 n ASP 44 CO 0.00 0.00 0.00 0.42 -0.39 0.00 0.00 177.20 177.23 1qy6 s THR 45 N -0.52 2.51 0.02 -3.53 -4.23 -1.21 -1.04 115.64 107.65 1qy6 s THR 45 Ca 0.00 -1.69 -0.02 0.00 -1.18 0.00 0.00 61.69 58.80 1qy6 s THR 45 Cb 0.00 -2.14 -0.02 0.00 1.34 0.00 0.00 72.50 71.68 1qy6 s THR 45 CO 0.00 0.07 0.02 -0.22 -0.54 0.00 0.00 174.62 173.94 1qy6 s LEU 46 N -2.17 2.06 -0.02 4.79 1.98 -0.61 -1.22 118.68 123.49 1qy6 s LEU 46 Ca 0.16 -0.45 0.04 0.00 -2.89 0.00 0.00 54.13 51.00 1qy6 s LEU 46 Cb -0.10 0.26 -0.03 0.00 0.66 0.00 0.00 46.19 46.98 1qy6 s LEU 46 CO 0.08 -0.33 -0.12 -0.76 -1.89 0.00 0.00 176.35 173.33 1qy6 s LEU 47 N -1.51 2.90 0.00 -0.68 1.43 -0.23 -1.29 118.68 119.31 1qy6 s LEU 47 Ca -0.15 -0.20 0.00 0.00 -1.03 0.00 0.00 54.13 52.75 1qy6 s LEU 47 Cb -0.09 -1.65 0.00 0.00 0.03 0.00 0.00 46.19 44.48 1qy6 s LEU 47 CO -0.01 0.31 0.00 1.07 0.23 0.00 0.00 176.35 177.95 1qy6 n THR 48 N 1.90 0.00 -2.90 5.49 5.66 -1.00 -2.13 114.28 121.29 1qy6 n THR 48 Ca -0.16 0.00 -0.23 0.00 -3.05 0.00 0.00 64.05 60.60 1qy6 n THR 48 Cb 0.52 0.00 0.01 0.00 -1.55 0.00 0.00 70.33 69.32 1qy6 n THR 48 CO 0.00 0.00 0.00 0.20 -3.05 0.00 0.00 175.07 172.22 1qy6 s ASN 49 N -0.09 5.79 0.15 1.09 0.01 -1.26 -1.13 114.94 119.51 1qy6 s ASN 49 Ca 0.00 0.33 -0.09 0.00 -0.71 0.00 0.00 52.86 52.39 1qy6 s ASN 49 Cb 0.00 -1.54 -0.01 0.00 0.41 0.00 0.00 41.25 40.11 1qy6 s ASN 49 CO 0.00 -0.75 1.47 0.11 -1.51 0.00 0.00 177.10 176.42 1qy6 h LYS 50 N 0.32 0.84 0.00 -0.60 1.57 -1.78 -2.98 116.57 113.95 1qy6 h LYS 50 Ca -0.46 -0.48 -0.02 0.00 -1.87 0.00 0.00 60.65 57.82 1qy6 h LYS 50 Cb 1.25 0.03 -0.00 0.00 0.08 0.00 0.00 32.23 33.59 1qy6 h LYS 50 CO 0.58 1.12 -0.12 1.12 -0.57 0.00 0.00 179.45 181.57 1qy6 h HIS 51 N 0.67 0.00 0.10 -1.35 2.07 -1.95 -0.05 115.15 114.64 1qy6 h HIS 51 Ca 0.04 0.00 -0.28 0.00 -2.85 0.00 0.00 60.37 57.28 1qy6 h HIS 51 Cb 1.04 0.00 0.02 0.00 2.57 0.00 0.00 27.41 31.04 1qy6 h HIS 51 CO 0.06 0.12 -1.18 -0.24 -3.07 0.00 0.00 177.93 173.62 1qy6 h VAL 52 N 0.00 1.35 -0.07 6.12 3.04 -1.95 -3.19 116.25 121.56 1qy6 h VAL 52 Ca -0.00 -2.57 -0.09 0.00 -1.01 0.00 0.00 66.70 63.02 1qy6 h VAL 52 Cb 0.45 2.68 -0.01 0.00 -2.01 0.00 0.00 31.29 32.40 1qy6 h VAL 52 CO 0.02 0.77 -0.38 0.58 -1.01 0.00 0.00 177.57 177.55 1qy6 h VAL 53 N 0.23 1.29 0.00 1.51 2.07 -1.26 -2.76 116.25 117.32 1qy6 h VAL 53 Ca -0.16 -1.38 0.00 0.00 0.82 0.00 0.00 66.70 65.98 1qy6 h VAL 53 Cb 1.86 1.66 0.00 0.00 -1.52 0.00 0.00 31.29 33.29 1qy6 h VAL 53 CO 0.22 0.41 0.00 0.44 0.02 0.00 0.00 177.57 178.65 1qy6 h ASP 54 N 0.12 0.00 0.62 0.57 3.32 -1.01 -2.64 116.42 117.40 1qy6 h ASP 54 Ca 0.01 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.06 1qy6 h ASP 54 Cb 0.72 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.27 1qy6 h ASP 54 CO 0.05 0.00 0.00 0.00 -1.72 0.00 0.00 179.24 177.57 1qy6 n ALA 55 N -2.06 1.59 0.56 3.45 0.00 -1.04 -1.85 120.51 121.16 1qy6 n ALA 55 Ca 0.00 0.07 0.13 0.00 0.00 0.00 0.00 53.44 53.64 1qy6 n ALA 55 Cb 0.26 -1.35 0.34 0.00 0.00 0.00 0.00 19.45 18.69 1qy6 n ALA 55 CO 0.00 0.00 0.00 1.79 0.00 0.00 0.00 177.50 179.29 1qy6 h THR 56 N 0.00 0.00 -4.29 0.00 1.35 -1.64 -3.45 112.91 104.88 1qy6 h THR 56 Ca 0.00 -0.56 -0.38 0.00 -0.55 0.00 0.00 66.41 64.93 1qy6 h THR 56 Cb 0.31 1.49 0.06 0.00 -1.73 0.00 0.00 68.15 68.28 1qy6 h THR 56 CO 0.00 0.00 -0.57 1.41 -0.25 0.00 0.00 175.52 176.11 1qy6 n HIS 57 N -2.36 -1.91 -0.02 4.73 -0.00 -0.77 -2.53 115.22 112.35 1qy6 n HIS 57 Ca 0.05 0.53 0.00 0.00 -0.00 0.00 0.00 57.72 58.30 1qy6 n HIS 57 Cb 0.45 -4.31 0.00 0.00 -0.00 0.00 0.00 29.99 26.13 1qy6 n HIS 57 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.34 176.75 1qy6 n GLY 58 N -1.52 1.08 3.28 -1.41 0.00 -1.26 -5.03 105.19 100.34 1qy6 n GLY 58 Ca -0.10 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.52 1qy6 n GLY 58 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1qy6 s ASP 59 N -2.75 5.71 0.51 1.61 2.15 -1.05 -4.96 116.67 117.87 1qy6 s ASP 59 Ca 0.00 -1.49 0.26 0.00 0.43 0.00 0.00 52.55 51.75 1qy6 s ASP 59 Cb 0.00 -2.01 1.36 0.00 -0.30 0.00 0.00 42.92 41.97 1qy6 s ASP 59 CO 0.00 -0.55 2.04 1.55 -0.17 0.00 0.00 175.17 178.04 1qy6 h PRO 60 N 8.45 0.00 0.00 4.34 0.13 -1.87 -2.72 132.00 140.32 1qy6 h PRO 60 Ca -0.24 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.89 1qy6 h PRO 60 Cb 1.09 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.22 1qy6 h PRO 60 CO 0.77 0.14 0.00 0.72 -0.23 0.00 0.00 178.00 179.40 1qy6 n HIS 61 N -3.69 0.00 0.89 1.56 8.25 -1.25 -1.46 115.22 119.52 1qy6 n HIS 61 Ca -0.02 0.00 0.13 0.00 -0.26 0.00 0.00 57.72 57.57 1qy6 n HIS 61 Cb 0.25 -0.50 0.44 0.00 1.12 0.00 0.00 29.99 31.30 1qy6 n HIS 61 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 1qy6 n ALA 62 N -1.50 2.71 -2.58 -1.41 0.00 -1.03 -4.77 120.51 111.93 1qy6 n ALA 62 Ca 0.02 -0.17 -0.39 0.00 0.00 0.00 0.00 53.44 52.90 1qy6 n ALA 62 Cb 0.10 -1.34 -0.10 0.00 0.00 0.00 0.00 19.45 18.10 1qy6 n ALA 62 CO 0.00 0.00 0.00 -1.17 0.00 0.00 0.00 177.50 176.33 1qy6 s LEU 63 N -3.38 4.15 0.00 0.00 0.20 -0.54 -1.26 118.68 117.86 1qy6 s LEU 63 Ca 0.12 -0.03 0.05 0.00 0.69 0.00 0.00 54.13 54.96 1qy6 s LEU 63 Cb 0.17 -2.22 -0.03 0.00 -0.43 0.00 0.00 46.19 43.68 1qy6 s LEU 63 CO 0.61 -0.15 -0.13 -0.54 -0.29 0.00 0.00 176.35 175.85 1qy6 s LYS 64 N 1.86 2.37 -0.03 1.98 -0.14 -0.58 -2.13 119.74 123.07 1qy6 s LYS 64 Ca 0.09 -0.80 0.04 0.00 -1.36 0.00 0.00 55.97 53.94 1qy6 s LYS 64 Cb -0.16 -2.36 -0.00 0.00 -1.68 0.00 0.00 37.83 33.63 1qy6 s LYS 64 CO 0.11 0.59 -0.14 0.00 -0.76 0.00 0.00 175.35 175.15 1qy6 s ALA 65 N -0.89 1.23 -0.42 5.17 0.00 -0.19 -1.79 121.76 124.87 1qy6 s ALA 65 Ca 0.15 -0.55 0.02 0.00 0.00 0.00 0.00 51.96 51.58 1qy6 s ALA 65 Cb -0.11 -0.41 0.12 0.00 0.00 0.00 0.00 23.12 22.73 1qy6 s ALA 65 CO 0.05 0.23 0.18 -0.06 0.00 0.00 0.00 175.76 176.15 1qy6 s PHE 66 N 0.04 2.60 0.32 0.00 0.40 -0.20 -0.69 117.98 120.46 1qy6 s PHE 66 Ca -0.02 -2.61 -0.29 0.00 -0.60 0.00 0.00 56.93 53.41 1qy6 s PHE 66 Cb -0.10 -2.31 -0.10 0.00 0.51 0.00 0.00 43.02 41.03 1qy6 s PHE 66 CO 0.01 -0.82 1.28 -1.25 0.70 0.00 0.00 175.22 175.14 1qy6 s PRO 67 N 0.53 4.39 -1.60 0.24 0.04 -1.26 -2.45 135.00 134.89 1qy6 s PRO 67 Ca 0.15 2.17 0.00 0.00 0.04 0.00 0.00 61.00 63.35 1qy6 s PRO 67 Cb -0.22 -3.09 0.00 0.00 0.04 0.00 0.00 34.50 31.23 1qy6 s PRO 67 CO -0.06 -0.14 0.00 0.43 0.04 0.00 0.00 177.00 177.27 1qy6 n SER 68 N 0.88 -4.90 -4.68 6.66 7.64 -0.64 -4.27 113.62 114.30 1qy6 n SER 68 Ca -0.00 0.25 -0.44 0.00 1.01 0.00 0.00 58.87 59.68 1qy6 n SER 68 Cb 0.42 -3.90 -0.02 0.00 -1.01 0.00 0.00 64.21 59.70 1qy6 n SER 68 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1qy6 n ALA 69 N 0.15 1.28 -0.10 -0.43 0.00 -1.19 -4.52 120.51 115.69 1qy6 n ALA 69 Ca -0.17 0.41 -0.18 0.00 0.00 0.00 0.00 53.44 53.49 1qy6 n ALA 69 Cb 0.57 -2.30 -0.12 0.00 0.00 0.00 0.00 19.45 17.60 1qy6 n ALA 69 CO 0.00 0.00 0.00 -0.89 0.00 0.00 0.00 177.50 176.61 1qy6 n ILE 70 N 1.89 1.54 -3.85 0.00 5.41 -0.80 -4.37 119.36 119.18 1qy6 n ILE 70 Ca 0.11 -0.60 -0.02 0.00 1.00 0.00 0.00 62.75 63.24 1qy6 n ILE 70 Cb 0.32 -1.44 0.01 0.00 -0.71 0.00 0.00 39.64 37.82 1qy6 n ILE 70 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 176.55 177.09 1qy6 s ASN 71 N -6.58 -0.03 -0.00 4.38 2.20 -1.02 -4.29 114.94 109.60 1qy6 s ASN 71 Ca -0.32 -0.54 -0.36 0.00 -0.94 0.00 0.00 52.86 50.70 1qy6 s ASN 71 Cb 0.08 0.44 -0.15 0.00 -2.00 0.00 0.00 41.25 39.62 1qy6 s ASN 71 CO 0.64 -0.85 1.57 1.67 -2.94 0.00 0.00 177.10 177.18 1qy6 n GLN 72 N -0.67 1.54 -2.16 3.55 7.27 -0.92 -1.21 117.38 124.79 1qy6 n GLN 72 Ca -0.03 0.56 -0.19 0.00 0.07 0.00 0.00 57.00 57.41 1qy6 n GLN 72 Cb 0.60 -2.27 -0.03 0.00 2.41 0.00 0.00 30.24 30.95 1qy6 n GLN 72 CO 0.00 0.00 0.00 -0.25 0.07 0.00 0.00 177.06 176.88 1qy6 n ASP 73 N 3.98 -5.38 -3.50 1.69 10.43 -1.26 -4.94 116.55 117.57 1qy6 n ASP 73 Ca 0.20 0.10 -0.28 0.00 2.57 0.00 0.00 54.79 57.39 1qy6 n ASP 73 Cb 0.22 -4.46 -0.11 0.00 1.84 0.00 0.00 41.12 38.61 1qy6 n ASP 73 CO 0.00 0.00 0.00 0.21 -1.07 0.00 0.00 177.20 176.34 1qy6 s ASN 74 N -2.31 2.34 -0.42 -2.24 3.04 -0.35 -5.07 114.94 109.93 1qy6 s ASN 74 Ca 0.00 -2.96 -0.02 0.00 0.04 0.00 0.00 52.86 49.93 1qy6 s ASN 74 Cb 0.00 -0.63 0.11 0.00 -1.54 0.00 0.00 41.25 39.19 1qy6 s ASN 74 CO 0.00 -0.20 0.21 -0.31 -3.04 0.00 0.00 177.10 173.76 1qy6 s TYR 75 N 0.09 3.59 0.61 0.43 4.12 -1.26 -1.90 117.35 123.02 1qy6 s TYR 75 Ca 0.28 -2.55 0.30 0.00 0.02 0.00 0.00 57.07 55.12 1qy6 s TYR 75 Cb -0.05 -3.17 1.70 0.00 -1.52 0.00 0.00 41.96 38.92 1qy6 s TYR 75 CO -0.14 -0.95 2.08 -1.00 0.02 0.00 0.00 175.55 175.56 1qy6 h PRO 76 N 7.85 0.00 -0.13 -1.71 0.13 -1.82 -2.16 132.00 134.16 1qy6 h PRO 76 Ca -0.10 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.03 1qy6 h PRO 76 Cb 1.03 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.16 1qy6 h PRO 76 CO 0.67 0.00 0.00 0.09 -0.23 0.00 0.00 178.00 178.53 1qy6 n ASN 77 N -3.60 2.47 0.00 1.44 3.02 -1.26 -5.11 115.26 112.22 1qy6 n ASN 77 Ca 0.01 -2.17 0.00 0.00 -0.03 0.00 0.00 54.58 52.40 1qy6 n ASN 77 Cb 0.35 -0.15 0.00 0.00 -0.61 0.00 0.00 39.78 39.37 1qy6 n ASN 77 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1qy6 n GLY 78 N -0.24 -0.26 3.35 7.41 0.00 -0.81 -4.91 105.19 109.72 1qy6 n GLY 78 Ca 0.07 -1.06 -0.18 0.00 0.00 0.00 0.00 46.02 44.85 1qy6 n GLY 78 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1qy6 s GLY 79 N -1.85 1.56 0.05 -0.02 0.00 -1.26 -4.24 107.32 101.56 1qy6 s GLY 79 Ca 0.00 -1.76 0.03 0.00 0.00 0.00 0.00 44.72 42.99 1qy6 s GLY 79 CO 0.00 -1.71 -0.10 -1.36 0.00 0.00 0.00 173.10 169.92 1qy6 s PHE 80 N -3.26 0.89 -0.11 1.90 0.40 0.14 -4.87 117.98 113.08 1qy6 s PHE 80 Ca 0.27 -0.46 -0.02 0.00 -0.60 0.00 0.00 56.93 56.11 1qy6 s PHE 80 Cb 0.04 -0.52 -0.03 0.00 0.51 0.00 0.00 43.02 43.02 1qy6 s PHE 80 CO 0.08 -0.02 -0.01 0.99 0.70 0.00 0.00 175.22 176.97 1qy6 s THR 81 N -1.26 4.24 0.58 0.64 2.01 -1.26 -1.03 115.64 119.57 1qy6 s THR 81 Ca -0.06 -0.26 -0.17 0.00 0.31 0.00 0.00 61.69 61.51 1qy6 s THR 81 Cb -0.10 -2.80 -0.04 0.00 0.01 0.00 0.00 72.50 69.57 1qy6 s THR 81 CO 0.01 0.57 1.08 0.00 -0.69 0.00 0.00 174.62 175.59 1qy6 s ALA 82 N -0.53 2.70 0.00 7.40 0.00 -0.91 -2.62 121.76 127.80 1qy6 s ALA 82 Ca 0.09 0.52 0.00 0.00 0.00 0.00 0.00 51.96 52.57 1qy6 s ALA 82 Cb -0.12 -3.27 0.00 0.00 0.00 0.00 0.00 23.12 19.73 1qy6 s ALA 82 CO 0.02 -0.82 0.00 -0.85 0.00 0.00 0.00 175.76 174.11 1qy6 n GLU 83 N -1.84 2.58 -3.75 0.00 0.28 0.05 -3.85 120.64 114.11 1qy6 n GLU 83 Ca 0.10 0.00 -0.13 0.00 -0.16 0.00 0.00 57.16 56.97 1qy6 n GLU 83 Cb 0.52 -0.76 -0.11 0.00 1.43 0.00 0.00 31.44 32.53 1qy6 n GLU 83 CO 0.00 0.00 0.00 -1.14 -0.16 0.00 0.00 177.13 175.83 1qy6 s GLN 84 N -1.22 0.42 -0.04 3.44 0.74 -1.08 -4.91 119.66 117.01 1qy6 s GLN 84 Ca 0.00 0.48 0.05 0.00 0.05 0.00 0.00 55.36 55.94 1qy6 s GLN 84 Cb 0.00 0.20 -0.01 0.00 1.10 0.00 0.00 33.01 34.30 1qy6 s GLN 84 CO 0.00 -0.05 -0.20 0.42 -0.55 0.00 0.00 175.29 174.91 1qy6 s ILE 85 N 0.16 1.67 -0.10 -2.34 1.01 -1.26 -0.82 121.20 119.52 1qy6 s ILE 85 Ca -0.00 -0.86 -0.01 0.00 0.00 0.00 0.00 60.65 59.77 1qy6 s ILE 85 Cb -0.02 -1.41 0.03 0.00 0.01 0.00 0.00 42.46 41.06 1qy6 s ILE 85 CO 0.01 0.47 -0.02 -0.89 0.00 0.00 0.00 174.94 174.50 1qy6 s THR 86 N -0.15 0.65 0.16 2.92 2.01 -0.33 -5.00 115.64 115.90 1qy6 s THR 86 Ca -0.01 -0.12 -0.11 0.00 0.31 0.00 0.00 61.69 61.75 1qy6 s THR 86 Cb -0.11 -0.80 -0.07 0.00 0.01 0.00 0.00 72.50 71.53 1qy6 s THR 86 CO 0.02 0.24 0.51 -0.54 -0.69 0.00 0.00 174.62 174.16 1qy6 s LYS 87 N 1.85 3.86 0.34 4.92 1.02 -1.26 -0.23 119.74 130.24 1qy6 s LYS 87 Ca 0.04 0.33 -0.29 0.00 0.02 0.00 0.00 55.97 56.08 1qy6 s LYS 87 Cb -0.13 -2.84 -0.11 0.00 -0.52 0.00 0.00 37.83 34.23 1qy6 s LYS 87 CO -0.07 0.44 1.40 -0.47 -0.92 0.00 0.00 175.35 175.73 1qy6 s TYR 88 N -1.58 2.86 -0.59 3.18 6.04 -0.74 -4.92 117.35 121.59 1qy6 s TYR 88 Ca 0.40 1.26 0.26 0.00 0.04 0.00 0.00 57.07 59.03 1qy6 s TYR 88 Cb -0.13 -3.84 0.76 0.00 -1.04 0.00 0.00 41.96 37.71 1qy6 s TYR 88 CO 0.20 -2.43 1.74 0.66 -1.54 0.00 0.00 175.55 174.19 1qy6 h SER 89 N 3.46 0.00 -2.46 4.32 4.64 -1.92 -3.46 113.55 118.12 1qy6 h SER 89 Ca -0.49 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.83 1qy6 h SER 89 Cb 1.23 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.32 1qy6 h SER 89 CO 0.67 0.00 0.00 0.61 -0.87 0.00 0.00 176.83 177.24 1qy6 n GLY 90 N 1.03 -0.23 0.15 -0.77 0.00 -1.26 -4.99 105.19 99.11 1qy6 n GLY 90 Ca 0.05 -1.80 0.01 0.00 0.00 0.00 0.00 46.02 44.27 1qy6 n GLY 90 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 1qy6 h GLU 91 N 0.00 0.00 -6.35 1.61 4.39 -2.02 -3.46 114.58 108.74 1qy6 h GLU 91 Ca 0.00 0.00 -0.64 0.00 0.34 0.00 0.00 59.36 59.06 1qy6 h GLU 91 Cb 0.00 0.00 0.08 0.00 -0.10 0.00 0.00 28.75 28.73 1qy6 h GLU 91 CO 0.00 0.57 0.27 0.41 -1.16 0.00 0.00 179.01 179.10 1qy6 n GLY 92 N 0.38 0.05 3.15 -3.84 0.00 -1.26 -4.83 105.19 98.84 1qy6 n GLY 92 Ca -0.01 0.51 -0.41 0.00 0.00 0.00 0.00 46.02 46.12 1qy6 n GLY 92 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 1qy6 n ASP 93 N 1.96 3.93 -3.94 1.61 4.64 -1.26 -4.79 116.55 118.70 1qy6 n ASP 93 Ca 0.14 -2.83 -0.13 0.00 -1.38 0.00 0.00 54.79 50.59 1qy6 n ASP 93 Cb 0.26 -1.62 -0.13 0.00 -1.04 0.00 0.00 41.12 38.58 1qy6 n ASP 93 CO 0.00 0.00 0.00 -0.22 -0.82 0.00 0.00 177.20 176.16 1qy6 s LEU 94 N 3.61 2.07 0.01 -2.67 1.98 -1.26 -3.79 118.68 118.63 1qy6 s LEU 94 Ca 0.53 -0.17 -0.12 0.00 -2.89 0.00 0.00 54.13 51.48 1qy6 s LEU 94 Cb 0.09 -0.11 0.01 0.00 0.66 0.00 0.00 46.19 46.84 1qy6 s LEU 94 CO 0.02 -0.04 0.24 0.00 -1.89 0.00 0.00 176.35 174.68 1qy6 s ALA 95 N -0.41 -0.56 -0.14 5.97 0.00 -0.28 -1.80 121.76 124.54 1qy6 s ALA 95 Ca -0.03 0.03 -0.04 0.00 0.00 0.00 0.00 51.96 51.92 1qy6 s ALA 95 Cb -0.03 0.16 -0.03 0.00 0.00 0.00 0.00 23.12 23.22 1qy6 s ALA 95 CO -0.00 -0.29 0.00 0.42 0.00 0.00 0.00 175.76 175.89 1qy6 s ILE 96 N -1.78 4.28 -0.12 0.00 1.01 0.68 -2.38 121.20 122.88 1qy6 s ILE 96 Ca -0.11 -0.23 0.03 0.00 0.00 0.00 0.00 60.65 60.34 1qy6 s ILE 96 Cb -0.04 -2.86 0.01 0.00 0.01 0.00 0.00 42.46 39.57 1qy6 s ILE 96 CO 0.01 0.53 -0.21 -0.69 0.00 0.00 0.00 174.94 174.58 1qy6 s VAL 97 N -0.09 1.92 -0.12 2.92 1.01 -0.41 -1.18 120.40 124.44 1qy6 s VAL 97 Ca 0.04 -0.90 -0.04 0.00 0.00 0.00 0.00 61.98 61.08 1qy6 s VAL 97 Cb -0.13 -1.70 -0.04 0.00 0.00 0.00 0.00 36.38 34.52 1qy6 s VAL 97 CO 0.02 0.52 0.03 -0.75 0.00 0.00 0.00 175.10 174.92 1qy6 s LYS 98 N 0.75 3.37 0.13 2.72 2.20 0.00 -1.58 119.74 127.34 1qy6 s LYS 98 Ca -0.10 -0.37 0.08 0.00 -0.36 0.00 0.00 55.97 55.23 1qy6 s LYS 98 Cb -0.16 -2.97 -0.04 0.00 -1.51 0.00 0.00 37.83 33.16 1qy6 s LYS 98 CO 0.00 0.55 -0.11 -0.06 -0.36 0.00 0.00 175.35 175.38 1qy6 s PHE 99 N -0.45 2.68 0.40 4.03 0.40 -0.20 -0.77 117.98 124.06 1qy6 s PHE 99 Ca 0.09 -0.19 -0.03 0.00 -0.60 0.00 0.00 56.93 56.20 1qy6 s PHE 99 Cb -0.12 -1.37 -0.04 0.00 0.51 0.00 0.00 43.02 42.01 1qy6 s PHE 99 CO 0.02 0.45 0.66 -1.54 0.70 0.00 0.00 175.22 175.51 1qy6 s SER 100 N -2.44 6.30 1.02 1.36 1.04 -1.08 -4.86 113.70 115.04 1qy6 s SER 100 Ca 0.22 0.70 -0.11 0.00 0.48 0.00 0.00 55.95 57.24 1qy6 s SER 100 Cb -0.10 -2.14 0.20 0.00 0.10 0.00 0.00 66.02 64.08 1qy6 s SER 100 CO 0.14 -0.41 1.09 -2.16 0.98 0.00 0.00 173.24 172.88 1qy6 s PRO 101 N -4.41 0.24 0.51 4.02 0.04 -1.26 -4.54 135.00 129.61 1qy6 s PRO 101 Ca 0.44 1.18 -0.01 0.00 0.04 0.00 0.00 61.00 62.65 1qy6 s PRO 101 Cb -0.10 -1.66 0.10 0.00 0.04 0.00 0.00 34.50 32.88 1qy6 s PRO 101 CO 0.39 -3.04 0.70 0.27 0.04 0.00 0.00 177.00 175.36 1qy6 n ASN 102 N -4.48 0.81 -0.15 6.66 0.23 -0.39 -4.88 115.26 113.07 1qy6 n ASN 102 Ca 0.08 -1.72 0.23 0.00 -0.53 0.00 0.00 54.58 52.64 1qy6 n ASN 102 Cb 0.53 -0.47 0.65 0.00 -2.08 0.00 0.00 39.78 38.41 1qy6 n ASN 102 CO 0.00 0.00 0.00 1.05 -0.93 0.00 0.00 177.26 177.38 1qy6 h GLU 103 N 0.00 0.12 -0.46 -3.83 -0.00 -1.91 0.33 114.58 108.84 1qy6 h GLU 103 Ca -0.23 -0.01 0.00 0.00 -0.00 0.00 0.00 59.36 59.12 1qy6 h GLU 103 Cb 0.82 -0.03 0.00 0.00 -0.00 0.00 0.00 28.75 29.55 1qy6 h GLU 103 CO 0.24 0.08 0.00 1.04 -0.00 0.00 0.00 179.01 180.37 1qy6 n GLN 104 N -4.37 2.10 -2.09 1.06 3.00 -1.26 -4.90 117.38 110.92 1qy6 n GLN 104 Ca 0.16 -1.40 -0.17 0.00 -0.01 0.00 0.00 57.00 55.58 1qy6 n GLN 104 Cb 0.78 -1.41 -0.03 0.00 0.00 0.00 0.00 30.24 29.58 1qy6 n GLN 104 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.06 177.15 1qy6 n ASN 105 N 0.54 -4.96 -4.92 1.08 3.02 0.12 -5.00 115.26 105.14 1qy6 n ASN 105 Ca 0.13 0.10 -0.30 0.00 -0.03 0.00 0.00 54.58 54.48 1qy6 n ASN 105 Cb 0.40 -4.02 -0.04 0.00 -0.61 0.00 0.00 39.78 35.51 1qy6 n ASN 105 CO 0.00 0.00 0.00 -0.54 -2.62 0.00 0.00 177.26 174.10 1qy6 s LYS 106 N -4.45 3.47 0.06 3.52 -0.14 -1.26 -4.80 119.74 116.14 1qy6 s LYS 106 Ca 0.00 -0.42 -0.05 0.00 -1.36 0.00 0.00 55.97 54.14 1qy6 s LYS 106 Cb 0.00 -2.98 -0.05 0.00 -1.68 0.00 0.00 37.83 33.12 1qy6 s LYS 106 CO 0.00 0.55 0.29 -1.01 -0.76 0.00 0.00 175.35 174.42 1qy6 s HIS 107 N -1.62 3.54 0.41 3.18 3.76 -1.26 -1.27 115.29 122.03 1qy6 s HIS 107 Ca 0.36 0.50 0.09 0.00 -0.15 0.00 0.00 55.06 55.86 1qy6 s HIS 107 Cb -0.12 -1.94 0.90 0.00 1.11 0.00 0.00 32.58 32.52 1qy6 s HIS 107 CO 0.28 0.56 2.03 0.97 -0.85 0.00 0.00 174.74 177.72 1qy6 h ILE 108 N 2.56 1.04 -0.31 0.60 2.10 -1.88 -0.61 117.51 121.00 1qy6 h ILE 108 Ca -0.48 -0.18 0.00 0.00 1.08 0.00 0.00 64.86 65.28 1qy6 h ILE 108 Cb 1.18 0.45 0.00 0.00 -1.09 0.00 0.00 36.82 37.36 1qy6 h ILE 108 CO 0.70 0.10 0.00 0.61 -1.08 0.00 0.00 178.15 178.48 1qy6 n GLY 109 N -1.48 0.47 0.05 8.18 0.00 0.35 -3.58 105.19 109.18 1qy6 n GLY 109 Ca 0.06 -0.34 -0.06 0.00 0.00 0.00 0.00 46.02 45.68 1qy6 n GLY 109 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1qy6 n GLU 110 N 0.42 1.91 0.19 1.61 1.02 -0.27 -4.47 120.64 121.05 1qy6 n GLU 110 Ca 0.11 0.01 0.13 0.00 -0.02 0.00 0.00 57.16 57.39 1qy6 n GLU 110 Cb 0.27 -1.27 0.34 0.00 -0.02 0.00 0.00 31.44 30.76 1qy6 n GLU 110 CO 0.00 0.00 0.00 -0.39 1.18 0.00 0.00 177.13 177.92 1qy6 h VAL 111 N 0.00 0.00 -3.96 2.62 -1.51 -1.56 -3.44 116.25 108.39 1qy6 h VAL 111 Ca -0.29 -0.71 -0.23 0.00 -1.23 0.00 0.00 66.70 64.24 1qy6 h VAL 111 Cb 1.61 1.69 -0.19 0.00 -2.13 0.00 0.00 31.29 32.27 1qy6 h VAL 111 CO 0.00 0.00 -0.72 -0.69 -1.23 0.00 0.00 177.57 174.94 1qy6 s VAL 112 N -3.25 0.46 -0.26 7.19 1.01 -1.23 -5.06 120.40 119.26 1qy6 s VAL 112 Ca 0.07 -1.27 -0.22 0.00 0.00 0.00 0.00 61.98 60.56 1qy6 s VAL 112 Cb 0.08 -0.82 -0.01 0.00 0.00 0.00 0.00 36.38 35.63 1qy6 s VAL 112 CO 0.61 -0.55 0.72 -0.75 0.00 0.00 0.00 175.10 175.13 1qy6 s LYS 113 N -2.18 4.10 0.54 2.72 2.20 -1.26 -4.55 119.74 121.31 1qy6 s LYS 113 Ca -0.06 0.67 -0.20 0.00 -0.36 0.00 0.00 55.97 56.03 1qy6 s LYS 113 Cb -0.06 -3.66 -0.08 0.00 -1.51 0.00 0.00 37.83 32.52 1qy6 s LYS 113 CO -0.02 -0.50 0.80 -2.30 -0.36 0.00 0.00 175.35 172.98 1qy6 n PRO 114 N 5.89 0.84 -1.64 4.03 -0.02 -1.26 -4.40 135.00 138.44 1qy6 n PRO 114 Ca 0.02 0.32 -0.32 0.00 -2.02 0.00 0.00 63.50 61.50 1qy6 n PRO 114 Cb 0.48 -1.94 0.05 0.00 -0.02 0.00 0.00 33.50 32.07 1qy6 n PRO 114 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1qy6 s ALA 115 N -1.53 2.52 -0.12 3.55 0.00 -0.72 -4.98 121.76 120.48 1qy6 s ALA 115 Ca 0.70 0.33 -0.13 0.00 0.00 0.00 0.00 51.96 52.86 1qy6 s ALA 115 Cb -0.47 -3.25 -0.05 0.00 0.00 0.00 0.00 23.12 19.35 1qy6 s ALA 115 CO 0.52 -1.29 0.29 0.99 0.00 0.00 0.00 175.76 176.27 1qy6 s THR 116 N -2.68 5.28 -0.04 0.00 2.01 -1.26 -4.69 115.64 114.26 1qy6 s THR 116 Ca 0.63 0.55 -0.12 0.00 0.31 0.00 0.00 61.69 63.05 1qy6 s THR 116 Cb -0.17 -3.61 -0.05 0.00 0.01 0.00 0.00 72.50 68.68 1qy6 s THR 116 CO 0.47 0.47 0.33 -0.04 -0.69 0.00 0.00 174.62 175.16 1qy6 s MET 117 N -0.11 3.78 0.40 4.92 -1.94 0.08 -1.10 119.30 125.34 1qy6 s MET 117 Ca 0.18 0.25 -0.12 0.00 -1.71 0.00 0.00 55.69 54.29 1qy6 s MET 117 Cb -0.14 -3.21 -0.07 0.00 2.01 0.00 0.00 34.83 33.42 1qy6 s MET 117 CO 0.06 0.71 0.78 0.45 -0.01 0.00 0.00 175.02 177.01 1qy6 s SER 118 N -1.05 6.57 0.04 3.03 0.15 -0.52 -0.59 113.70 121.33 1qy6 s SER 118 Ca 0.21 1.19 0.27 0.00 0.70 0.00 0.00 55.95 58.32 1qy6 s SER 118 Cb -0.15 -2.35 0.83 0.00 -1.71 0.00 0.00 66.02 62.64 1qy6 s SER 118 CO 0.11 -0.39 1.66 0.59 1.20 0.00 0.00 173.24 176.41 1qy6 n ASN 119 N -1.18 0.35 -1.97 5.45 3.02 -1.26 -4.84 115.26 114.82 1qy6 n ASN 119 Ca 0.03 0.20 -0.19 0.00 -0.03 0.00 0.00 54.58 54.59 1qy6 n ASN 119 Cb 0.54 -0.19 -0.05 0.00 -0.61 0.00 0.00 39.78 39.47 1qy6 n ASN 119 CO 0.00 0.00 0.00 0.59 -2.62 0.00 0.00 177.26 175.23 1qy6 n ASN 120 N -1.66 -5.30 0.18 6.41 3.02 -1.26 -4.87 115.26 111.78 1qy6 n ASN 120 Ca 0.06 0.26 0.05 0.00 -0.03 0.00 0.00 54.58 54.91 1qy6 n ASN 120 Cb 0.36 -4.57 0.33 0.00 -0.61 0.00 0.00 39.78 35.28 1qy6 n ASN 120 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1qy6 h ALA 121 N 0.57 1.03 -0.12 5.41 0.00 -1.97 -3.23 119.26 120.94 1qy6 h ALA 121 Ca -0.43 -0.36 0.00 0.00 0.00 0.00 0.00 54.91 54.12 1qy6 h ALA 121 Cb 1.30 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 19.02 1qy6 h ALA 121 CO 0.56 0.50 0.00 0.39 0.00 0.00 0.00 179.25 180.70 1qy6 n GLU 122 N -3.61 1.43 -2.17 0.00 1.02 -1.26 -5.02 120.64 111.03 1qy6 n GLU 122 Ca -0.01 -1.41 -0.42 0.00 -0.02 0.00 0.00 57.16 55.30 1qy6 n GLU 122 Cb 0.51 -1.17 -0.03 0.00 -0.02 0.00 0.00 31.44 30.72 1qy6 n GLU 122 CO 0.00 0.00 0.00 0.99 1.18 0.00 0.00 177.13 179.30 1qy6 s THR 123 N -0.83 3.18 0.20 2.62 2.01 -1.22 -5.01 115.64 116.59 1qy6 s THR 123 Ca 0.13 0.92 -0.13 0.00 0.31 0.00 0.00 61.69 62.92 1qy6 s THR 123 Cb 0.08 -3.59 0.01 0.00 0.01 0.00 0.00 72.50 69.01 1qy6 s THR 123 CO 0.11 0.11 0.42 0.00 -0.69 0.00 0.00 174.62 174.57 1qy6 s GLN 124 N 0.39 1.34 0.50 4.92 -2.07 -1.26 -5.10 119.66 118.37 1qy6 s GLN 124 Ca 0.60 -1.08 -0.23 0.00 -1.82 0.00 0.00 55.36 52.83 1qy6 s GLN 124 Cb -0.37 0.45 -0.06 0.00 -1.09 0.00 0.00 33.01 31.94 1qy6 s GLN 124 CO 0.35 -0.54 1.39 0.99 -1.32 0.00 0.00 175.29 176.16 1qy6 s THR 125 N -3.95 2.08 0.00 3.63 2.01 -1.26 -3.18 115.64 114.97 1qy6 s THR 125 Ca 0.16 0.06 0.00 0.00 0.31 0.00 0.00 61.69 62.22 1qy6 s THR 125 Cb 0.01 -3.03 0.00 0.00 0.01 0.00 0.00 72.50 69.48 1qy6 s THR 125 CO 0.01 0.00 0.00 0.59 -0.69 0.00 0.00 174.62 174.54 1qy6 n ASN 126 N -0.65 -0.57 -4.83 3.53 3.02 0.47 -4.98 115.26 111.24 1qy6 n ASN 126 Ca 0.08 0.00 -0.33 0.00 -0.03 0.00 0.00 54.58 54.30 1qy6 n ASN 126 Cb 0.44 -0.10 -0.07 0.00 -0.61 0.00 0.00 39.78 39.44 1qy6 n ASN 126 CO 0.00 0.00 0.00 -1.10 -2.62 0.00 0.00 177.26 173.54 1qy6 s GLN 127 N -0.16 4.15 0.12 3.52 -0.21 -1.19 -4.74 119.66 121.15 1qy6 s GLN 127 Ca 0.00 0.92 -0.30 0.00 0.02 0.00 0.00 55.36 56.00 1qy6 s GLN 127 Cb 0.00 -2.37 -0.06 0.00 1.00 0.00 0.00 33.01 31.58 1qy6 s GLN 127 CO 0.00 0.10 0.96 -0.80 -2.12 0.00 0.00 175.29 173.43 1qy6 s ASN 128 N -2.15 7.50 0.27 5.90 0.01 -1.26 -1.97 114.94 123.23 1qy6 s ASN 128 Ca 0.57 1.82 0.03 0.00 -0.71 0.00 0.00 52.86 54.56 1qy6 s ASN 128 Cb -0.11 -2.59 -0.04 0.00 0.41 0.00 0.00 41.25 38.93 1qy6 s ASN 128 CO 0.16 -0.05 0.19 0.27 -1.51 0.00 0.00 177.10 176.16 1qy6 s ILE 129 N -0.10 0.08 0.02 0.60 -4.36 -0.49 -4.26 121.20 112.68 1qy6 s ILE 129 Ca 0.47 -2.00 0.01 0.00 -0.26 0.00 0.00 60.65 58.87 1qy6 s ILE 129 Cb -0.24 -2.50 -0.02 0.00 1.25 0.00 0.00 42.46 40.95 1qy6 s ILE 129 CO 0.30 0.00 -0.05 0.42 0.24 0.00 0.00 174.94 175.86 1qy6 s THR 130 N -3.79 0.28 -0.20 8.37 -4.23 -0.91 -2.40 115.64 112.76 1qy6 s THR 130 Ca 0.39 -0.75 0.01 0.00 -1.18 0.00 0.00 61.69 60.16 1qy6 s THR 130 Cb 0.05 -0.36 0.04 0.00 1.34 0.00 0.00 72.50 73.57 1qy6 s THR 130 CO 0.19 -0.31 -0.12 -0.69 -0.54 0.00 0.00 174.62 173.15 1qy6 s VAL 131 N -1.04 1.81 -0.12 2.29 1.01 -0.28 -0.83 120.40 123.23 1qy6 s VAL 131 Ca -0.09 -1.08 0.02 0.00 0.00 0.00 0.00 61.98 60.82 1qy6 s VAL 131 Cb -0.07 -1.83 -0.00 0.00 0.00 0.00 0.00 36.38 34.47 1qy6 s VAL 131 CO -0.00 0.22 -0.19 -0.89 0.00 0.00 0.00 175.10 174.24 1qy6 s THR 132 N 1.33 2.48 0.00 3.92 2.01 -1.15 -1.24 115.64 122.99 1qy6 s THR 132 Ca -0.01 -0.86 0.00 0.00 0.31 0.00 0.00 61.69 61.13 1qy6 s THR 132 Cb -0.16 -2.00 0.00 0.00 0.01 0.00 0.00 72.50 70.35 1qy6 s THR 132 CO -0.09 0.54 0.00 0.61 -0.69 0.00 0.00 174.62 174.99 1qy6 n GLY 133 N 3.69 1.78 2.96 4.40 0.00 -0.93 -3.76 105.19 113.31 1qy6 n GLY 133 Ca -0.19 -0.31 -0.30 0.00 0.00 0.00 0.00 46.02 45.22 1qy6 n GLY 133 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1qy6 s TYR 134 N -0.96 3.26 0.25 1.61 1.51 -1.26 -1.38 117.35 120.37 1qy6 s TYR 134 Ca 0.00 -3.17 -0.30 0.00 -1.01 0.00 0.00 57.07 52.59 1qy6 s TYR 134 Cb 0.00 -2.84 -0.09 0.00 -0.11 0.00 0.00 41.96 38.92 1qy6 s TYR 134 CO 0.00 -0.72 1.32 -1.25 -1.11 0.00 0.00 175.55 173.79 1qy6 s PRO 135 N -0.46 4.37 0.00 -1.71 0.04 -1.26 -3.60 135.00 132.38 1qy6 s PRO 135 Ca 0.18 2.13 0.25 0.00 0.04 0.00 0.00 61.00 63.60 1qy6 s PRO 135 Cb -0.22 -3.15 1.33 0.00 0.04 0.00 0.00 34.50 32.50 1qy6 s PRO 135 CO -0.03 -0.24 1.83 0.41 0.04 0.00 0.00 177.00 179.01 1qy6 n GLY 136 N 1.87 -0.97 0.99 0.56 0.00 0.22 -3.10 105.19 104.76 1qy6 n GLY 136 Ca 0.04 -0.13 0.11 0.00 0.00 0.00 0.00 46.02 46.05 1qy6 n GLY 136 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 1qy6 n ASP 137 N -1.17 2.96 -4.80 1.61 3.85 -1.26 -4.92 116.55 112.81 1qy6 n ASP 137 Ca 0.14 -1.92 -0.26 0.00 -0.71 0.00 0.00 54.79 52.05 1qy6 n ASP 137 Cb 0.15 -0.20 -0.05 0.00 -1.35 0.00 0.00 41.12 39.67 1qy6 n ASP 137 CO 0.00 0.00 0.00 -0.54 -1.01 0.00 0.00 177.20 175.65 1qy6 s LYS 138 N -1.60 2.27 0.41 0.11 -0.14 -1.18 -5.08 119.74 114.53 1qy6 s LYS 138 Ca 0.36 -1.92 -0.25 0.00 -1.36 0.00 0.00 55.97 52.81 1qy6 s LYS 138 Cb 0.21 -2.01 -0.10 0.00 -1.68 0.00 0.00 37.83 34.24 1qy6 s LYS 138 CO 0.30 -0.29 1.17 -2.30 -0.76 0.00 0.00 175.35 173.47 1qy6 n PRO 139 N -1.42 1.71 -1.57 -1.68 -0.02 -1.26 -4.81 135.00 125.94 1qy6 n PRO 139 Ca -0.03 0.61 -0.52 0.00 -2.02 0.00 0.00 63.50 61.54 1qy6 n PRO 139 Cb 0.64 -2.23 -0.06 0.00 -0.02 0.00 0.00 33.50 31.83 1qy6 n PRO 139 CO 0.00 0.00 0.00 0.28 1.98 0.00 0.00 175.50 177.76 1qy6 n VAL 140 N -0.26 0.28 -2.82 -1.45 0.31 -1.26 -2.62 118.33 110.50 1qy6 n VAL 140 Ca 0.08 -0.07 -0.22 0.00 -0.01 0.00 0.00 64.34 64.12 1qy6 n VAL 140 Cb 0.39 -0.67 0.02 0.00 -0.91 0.00 0.00 33.84 32.67 1qy6 n VAL 140 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 1qy6 n ALA 141 N 2.03 -0.86 -2.75 3.52 0.00 -1.26 -2.15 120.51 119.04 1qy6 n ALA 141 Ca 0.18 0.24 -0.35 0.00 0.00 0.00 0.00 53.44 53.50 1qy6 n ALA 141 Cb 0.19 -3.25 -0.09 0.00 0.00 0.00 0.00 19.45 16.30 1qy6 n ALA 141 CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 177.50 178.45 1qy6 s THR 142 N -3.11 4.58 -0.07 0.00 -4.23 -1.08 -2.42 115.64 109.31 1qy6 s THR 142 Ca 0.20 -0.14 -0.22 0.00 -1.18 0.00 0.00 61.69 60.35 1qy6 s THR 142 Cb -0.09 -2.96 -0.04 0.00 1.34 0.00 0.00 72.50 70.75 1qy6 s THR 142 CO 0.25 0.59 0.64 -0.32 -0.54 0.00 0.00 174.62 175.25 1qy6 s MET 143 N -0.76 4.41 -0.01 3.99 -2.45 -1.26 -4.41 119.30 118.82 1qy6 s MET 143 Ca 0.12 0.77 0.04 0.00 -1.25 0.00 0.00 55.69 55.37 1qy6 s MET 143 Cb -0.12 -3.43 -0.01 0.00 1.25 0.00 0.00 34.83 32.52 1qy6 s MET 143 CO 0.02 0.11 -0.12 -1.58 1.05 0.00 0.00 175.02 174.50 1qy6 s TRP 144 N 0.67 1.10 -0.22 4.11 0.52 -0.48 -0.53 118.94 124.10 1qy6 s TRP 144 Ca 0.34 -0.22 -0.08 0.00 0.02 0.00 0.00 56.10 56.17 1qy6 s TRP 144 Cb -0.17 -0.71 -0.04 0.00 -1.15 0.00 0.00 33.47 31.40 1qy6 s TRP 144 CO 0.16 -0.02 0.08 -2.00 0.02 0.00 0.00 176.95 175.20 1qy6 s GLU 145 N -0.34 3.89 -0.15 4.98 2.12 0.65 -2.19 118.70 127.66 1qy6 s GLU 145 Ca 0.04 -0.37 -0.03 0.00 0.36 0.00 0.00 54.97 54.97 1qy6 s GLU 145 Cb -0.05 -3.32 -0.03 0.00 0.26 0.00 0.00 34.13 31.00 1qy6 s GLU 145 CO -0.00 0.08 -0.05 0.45 -0.54 0.00 0.00 175.26 175.20 1qy6 s SER 146 N 0.92 4.72 -0.10 -1.70 0.15 -0.38 -1.39 113.70 115.93 1qy6 s SER 146 Ca 0.05 -0.15 -0.03 0.00 0.70 0.00 0.00 55.95 56.52 1qy6 s SER 146 Cb -0.14 -1.77 -0.03 0.00 -1.71 0.00 0.00 66.02 62.37 1qy6 s SER 146 CO 0.03 0.17 0.01 -0.54 1.20 0.00 0.00 173.24 174.11 1qy6 s LYS 147 N 0.37 3.10 0.00 5.44 1.02 -0.64 -1.13 119.74 127.90 1qy6 s LYS 147 Ca -0.05 -0.39 0.00 0.00 0.02 0.00 0.00 55.97 55.55 1qy6 s LYS 147 Cb -0.14 -2.85 0.00 0.00 -0.52 0.00 0.00 37.83 34.32 1qy6 s LYS 147 CO 0.03 0.66 0.00 0.41 -0.92 0.00 0.00 175.35 175.53 1qy6 n GLY 148 N 2.29 1.34 3.25 -3.33 0.00 -1.01 -4.60 105.19 103.14 1qy6 n GLY 148 Ca -0.19 -0.73 -0.17 0.00 0.00 0.00 0.00 46.02 44.93 1qy6 n GLY 148 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1qy6 s LYS 149 N -0.06 1.05 0.07 1.61 1.02 -1.26 -1.40 119.74 120.77 1qy6 s LYS 149 Ca 0.00 -1.30 -0.30 0.00 0.02 0.00 0.00 55.97 54.39 1qy6 s LYS 149 Cb 0.00 -0.88 -0.05 0.00 -0.52 0.00 0.00 37.83 36.38 1qy6 s LYS 149 CO 0.00 0.16 1.03 0.42 -0.92 0.00 0.00 175.35 176.04 1qy6 s ILE 150 N -2.39 4.47 -0.14 2.17 1.01 -0.83 -2.58 121.20 122.89 1qy6 s ILE 150 Ca 0.11 1.89 0.02 0.00 0.00 0.00 0.00 60.65 62.68 1qy6 s ILE 150 Cb -0.03 -4.21 -0.01 0.00 0.01 0.00 0.00 42.46 38.21 1qy6 s ILE 150 CO 0.03 0.22 0.19 0.35 0.00 0.00 0.00 174.94 175.73 1qy6 n THR 151 N 3.35 0.00 -3.64 2.92 -2.24 -0.09 -0.40 114.28 114.19 1qy6 n THR 151 Ca 0.05 -0.46 -0.10 0.00 -2.27 0.00 0.00 64.05 61.27 1qy6 n THR 151 Cb 0.49 1.01 -0.07 0.00 -2.10 0.00 0.00 70.33 69.66 1qy6 n THR 151 CO 0.00 0.00 0.00 -0.47 -0.57 0.00 0.00 175.07 174.03 1qy6 s TYR 152 N -1.00 -0.89 -0.07 4.78 5.04 -1.12 -4.95 117.35 119.14 1qy6 s TYR 152 Ca 0.01 1.93 -0.03 0.00 -2.44 0.00 0.00 57.07 56.55 1qy6 s TYR 152 Cb 0.02 0.46 0.04 0.00 0.35 0.00 0.00 41.96 42.83 1qy6 s TYR 152 CO 0.08 -0.44 0.12 -0.51 -1.34 0.00 0.00 175.55 173.46 1qy6 s LEU 153 N 1.05 0.03 -0.29 6.97 1.43 -1.26 -1.45 118.68 125.16 1qy6 s LEU 153 Ca -0.05 0.24 -0.10 0.00 -1.03 0.00 0.00 54.13 53.19 1qy6 s LEU 153 Cb -0.05 0.13 0.12 0.00 0.03 0.00 0.00 46.19 46.42 1qy6 s LEU 153 CO -0.11 -0.24 0.63 -0.75 0.23 0.00 0.00 176.35 176.11 1qy6 s LYS 154 N 2.21 0.56 7.88 1.70 2.20 -0.86 -5.05 119.74 128.38 1qy6 s LYS 154 Ca 0.03 1.41 0.00 0.00 -0.36 0.00 0.00 55.97 57.05 1qy6 s LYS 154 Cb -0.12 0.79 0.00 0.00 -1.51 0.00 0.00 37.83 36.99 1qy6 s LYS 154 CO -0.05 -0.20 0.00 0.41 -0.36 0.00 0.00 175.35 175.15 1qy6 n GLY 155 N 5.38 3.64 1.67 5.54 0.00 -1.26 -1.71 105.19 118.45 1qy6 n GLY 155 Ca -0.12 -0.06 -0.04 0.00 0.00 0.00 0.00 46.02 45.80 1qy6 n GLY 155 CO 0.00 0.00 0.00 -1.84 0.00 0.00 0.00 173.32 171.48 1qy6 n GLU 156 N 13.79 3.19 -4.85 1.61 0.28 -1.26 -4.81 120.64 128.60 1qy6 n GLU 156 Ca 0.00 -3.06 -0.30 0.00 -0.16 0.00 0.00 57.16 53.64 1qy6 n GLU 156 Cb 0.00 -2.08 -0.15 0.00 1.43 0.00 0.00 31.44 30.64 1qy6 n GLU 156 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 177.13 176.97 1qy6 s ALA 157 N -3.03 2.23 -0.01 -1.84 0.00 -0.69 -1.15 121.76 117.28 1qy6 s ALA 157 Ca 0.51 -1.28 -0.02 0.00 0.00 0.00 0.00 51.96 51.17 1qy6 s ALA 157 Cb 0.42 -0.46 -0.00 0.00 0.00 0.00 0.00 23.12 23.08 1qy6 s ALA 157 CO 0.10 0.53 0.05 1.41 0.00 0.00 0.00 175.76 177.85 1qy6 s MET 158 N -1.30 0.19 0.10 0.00 0.00 -0.91 -2.02 119.30 115.35 1qy6 s MET 158 Ca 0.12 -0.17 0.05 0.00 0.00 0.00 0.00 55.69 55.69 1qy6 s MET 158 Cb -0.10 0.08 -0.03 0.00 0.00 0.00 0.00 34.83 34.78 1qy6 s MET 158 CO 0.02 -0.03 -0.13 -0.65 0.00 0.00 0.00 175.02 174.22 1qy6 s GLN 159 N -0.56 0.90 0.22 4.11 -0.21 -0.53 -1.19 119.66 122.41 1qy6 s GLN 159 Ca -0.06 -1.10 -0.08 0.00 0.02 0.00 0.00 55.36 54.14 1qy6 s GLN 159 Cb -0.04 -0.81 -0.02 0.00 1.00 0.00 0.00 33.01 33.14 1qy6 s GLN 159 CO 0.00 0.16 0.34 1.52 -2.12 0.00 0.00 175.29 175.19 1qy6 s TYR 160 N -1.80 0.66 -1.75 0.91 1.13 -0.60 -0.91 117.35 115.00 1qy6 s TYR 160 Ca 0.03 -0.97 0.20 0.00 -1.41 0.00 0.00 57.07 54.93 1qy6 s TYR 160 Cb -0.07 -0.11 0.60 0.00 -1.10 0.00 0.00 41.96 41.28 1qy6 s TYR 160 CO 0.02 -0.84 1.50 -0.40 -2.51 0.00 0.00 175.55 173.32 1qy6 n ASP 161 N -0.33 3.84 -4.90 -0.18 5.68 -1.07 -3.12 116.55 116.47 1qy6 n ASP 161 Ca -0.01 -2.03 -0.28 0.00 -0.50 0.00 0.00 54.79 51.98 1qy6 n ASP 161 Cb 0.63 -0.45 0.00 0.00 -1.14 0.00 0.00 41.12 40.16 1qy6 n ASP 161 CO 0.00 0.00 0.00 -1.48 -1.33 0.00 0.00 177.20 174.39 1qy6 s LEU 162 N -1.05 3.58 0.24 -2.12 0.05 -1.26 -4.33 118.68 113.79 1qy6 s LEU 162 Ca 0.45 0.95 -0.11 0.00 0.05 0.00 0.00 54.13 55.47 1qy6 s LEU 162 Cb 0.24 -3.90 -0.07 0.00 -2.05 0.00 0.00 46.19 40.40 1qy6 s LEU 162 CO 0.30 -0.62 0.58 -0.44 -0.55 0.00 0.00 176.35 175.62 1qy6 s SER 163 N -4.12 6.67 0.19 1.48 0.01 -1.08 -4.75 113.70 112.10 1qy6 s SER 163 Ca 0.48 1.00 -0.15 0.00 1.31 0.00 0.00 55.95 58.59 1qy6 s SER 163 Cb -0.10 -2.26 0.01 0.00 0.21 0.00 0.00 66.02 63.88 1qy6 s SER 163 CO 0.45 -0.08 0.45 0.42 0.41 0.00 0.00 173.24 174.90 1qy6 s THR 164 N -1.81 0.04 0.21 1.44 -4.23 -1.08 -4.86 115.64 105.35 1qy6 s THR 164 Ca 0.48 -1.01 -0.03 0.00 -1.18 0.00 0.00 61.69 59.95 1qy6 s THR 164 Cb -0.11 -1.71 -0.03 0.00 1.34 0.00 0.00 72.50 71.98 1qy6 s THR 164 CO 0.20 -0.16 0.20 0.42 -0.54 0.00 0.00 174.62 174.75 1qy6 s THR 165 N -3.91 0.00 0.10 3.99 -4.23 -1.26 -0.86 115.64 109.46 1qy6 s THR 165 Ca 0.13 -1.89 -0.36 0.00 -1.18 0.00 0.00 61.69 58.39 1qy6 s THR 165 Cb 0.00 -2.45 -0.16 0.00 1.34 0.00 0.00 72.50 71.23 1qy6 s THR 165 CO -0.01 0.00 1.41 0.61 -0.54 0.00 0.00 174.62 176.09 1qy6 n GLY 166 N -0.31 0.65 0.00 3.99 0.00 -1.26 -1.15 105.19 107.11 1qy6 n GLY 166 Ca 0.02 0.69 0.00 0.00 0.00 0.00 0.00 46.02 46.73 1qy6 n GLY 166 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1qy6 n GLY 167 N 2.78 0.64 0.00 -0.02 0.00 -1.26 0.69 105.19 108.02 1qy6 n GLY 167 Ca 0.18 0.00 0.12 0.00 0.00 0.00 0.00 46.02 46.32 1qy6 n GLY 167 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1qy6 n ASN 168 N 0.00 0.00 -4.62 1.61 3.02 -0.30 -2.99 115.26 111.98 1qy6 n ASN 168 Ca 0.00 0.30 -0.56 0.00 -0.03 0.00 0.00 54.58 54.29 1qy6 n ASN 168 Cb 0.00 -0.43 -0.07 0.00 -0.61 0.00 0.00 39.78 38.67 1qy6 n ASN 168 CO 0.00 0.00 0.00 -1.20 -2.62 0.00 0.00 177.26 173.44 1qy6 n SER 169 N -1.43 1.50 0.00 6.41 7.64 -1.26 -1.17 113.62 125.32 1qy6 n SER 169 Ca 0.08 1.12 0.00 0.00 1.01 0.00 0.00 58.87 61.08 1qy6 n SER 169 Cb 0.25 -1.10 0.00 0.00 -1.01 0.00 0.00 64.21 62.36 1qy6 n SER 169 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1qy6 n GLY 170 N 2.94 0.83 3.77 0.23 0.00 -0.55 -0.87 105.19 111.54 1qy6 n GLY 170 Ca 0.22 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.83 1qy6 n GLY 170 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1qy6 s SER 171 N -2.87 6.57 0.53 1.61 0.01 -0.31 -3.52 113.70 115.71 1qy6 s SER 171 Ca 0.00 2.84 -0.19 0.00 1.31 0.00 0.00 55.95 59.91 1qy6 s SER 171 Cb 0.00 -2.65 -0.06 0.00 0.21 0.00 0.00 66.02 63.51 1qy6 s SER 171 CO 0.00 -0.71 1.06 -2.16 0.41 0.00 0.00 173.24 171.84 1qy6 s PRO 172 N -1.59 3.57 -0.22 12.44 0.04 -1.25 -1.45 135.00 146.54 1qy6 s PRO 172 Ca 0.53 1.35 -0.06 0.00 0.04 0.00 0.00 61.00 62.86 1qy6 s PRO 172 Cb -0.43 -2.06 -0.03 0.00 0.04 0.00 0.00 34.50 32.02 1qy6 s PRO 172 CO 0.55 -0.62 0.03 0.08 0.04 0.00 0.00 177.00 177.08 1qy6 s VAL 173 N -2.10 4.08 -0.01 -0.36 1.01 -0.59 -2.91 120.40 119.52 1qy6 s VAL 173 Ca 0.67 -0.26 0.02 0.00 0.00 0.00 0.00 61.98 62.41 1qy6 s VAL 173 Cb -0.17 -2.88 -0.04 0.00 0.00 0.00 0.00 36.38 33.29 1qy6 s VAL 173 CO 0.26 0.39 -0.02 -0.36 0.00 0.00 0.00 175.10 175.38 1qy6 s PHE 174 N 1.30 3.04 0.41 5.22 0.40 -0.01 -1.21 117.98 127.13 1qy6 s PHE 174 Ca 0.04 0.06 0.02 0.00 -0.60 0.00 0.00 56.93 56.45 1qy6 s PHE 174 Cb -0.15 -1.66 0.08 0.00 0.51 0.00 0.00 43.02 41.80 1qy6 s PHE 174 CO 0.02 0.44 0.57 0.27 0.70 0.00 0.00 175.22 177.22 1qy6 n ASN 175 N 1.49 0.96 0.27 1.36 2.04 -0.86 -2.13 115.26 118.39 1qy6 n ASN 175 Ca -0.15 -1.77 0.12 0.00 -0.44 0.00 0.00 54.58 52.35 1qy6 n ASN 175 Cb 0.53 -0.35 0.75 0.00 -2.53 0.00 0.00 39.78 38.18 1qy6 n ASN 175 CO 0.00 0.00 0.00 1.05 -0.44 0.00 0.00 177.26 177.87 1qy6 h GLU 176 N 0.00 0.00 -0.02 -3.83 4.11 -1.91 -1.00 114.58 111.92 1qy6 h GLU 176 Ca -0.19 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.24 1qy6 h GLU 176 Cb 0.75 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.00 1qy6 h GLU 176 CO 0.22 0.09 0.00 1.63 0.07 0.00 0.00 179.01 181.02 1qy6 n LYS 177 N -3.83 1.25 -2.84 1.06 5.02 -1.26 -4.91 118.16 112.66 1qy6 n LYS 177 Ca -0.02 -0.37 -0.14 0.00 -2.02 0.00 0.00 58.31 55.76 1qy6 n LYS 177 Cb 0.19 -1.45 0.03 0.00 -0.02 0.00 0.00 35.03 33.77 1qy6 n LYS 177 CO 0.00 0.00 0.00 0.09 -0.52 0.00 0.00 177.40 176.97 1qy6 n ASN 178 N -0.52 -4.44 -4.72 4.39 3.02 -0.38 -5.04 115.26 107.57 1qy6 n ASN 178 Ca 0.20 -0.22 -0.30 0.00 -0.03 0.00 0.00 54.58 54.24 1qy6 n ASN 178 Cb 0.19 -3.24 -0.07 0.00 -0.61 0.00 0.00 39.78 36.05 1qy6 n ASN 178 CO 0.00 0.00 0.00 -1.61 -2.62 0.00 0.00 177.26 173.03 1qy6 s GLU 179 N -5.39 2.66 -0.17 3.52 2.02 -1.26 -4.73 118.70 115.36 1qy6 s GLU 179 Ca 0.23 -0.81 -0.27 0.00 0.02 0.00 0.00 54.97 54.14 1qy6 s GLU 179 Cb -0.10 -2.59 -0.01 0.00 0.10 0.00 0.00 34.13 31.53 1qy6 s GLU 179 CO 0.29 0.54 0.91 0.08 0.02 0.00 0.00 175.26 177.10 1qy6 s VAL 180 N -1.39 4.82 -0.43 2.63 1.01 -0.26 -2.04 120.40 124.75 1qy6 s VAL 180 Ca 0.27 1.81 0.12 0.00 0.00 0.00 0.00 61.98 64.17 1qy6 s VAL 180 Cb -0.12 -4.21 -0.14 0.00 0.00 0.00 0.00 36.38 31.91 1qy6 s VAL 180 CO 0.20 -0.02 0.44 2.30 0.00 0.00 0.00 175.10 178.02 1qy6 n ILE 181 N 4.82 0.00 -3.84 2.22 -5.35 -0.35 -1.43 119.36 115.43 1qy6 n ILE 181 Ca 0.07 -0.24 -0.00 0.00 -0.27 0.00 0.00 62.75 62.31 1qy6 n ILE 181 Cb 0.48 0.83 0.01 0.00 -1.74 0.00 0.00 39.64 39.22 1qy6 n ILE 181 CO 0.00 0.00 0.00 -0.83 -1.76 0.00 0.00 176.55 173.96 1qy6 s GLY 182 N -2.37 -0.12 -0.15 3.28 0.00 -1.24 -2.60 107.32 104.12 1qy6 s GLY 182 Ca 0.02 0.06 -0.00 0.00 0.00 0.00 0.00 44.72 44.80 1qy6 s GLY 182 CO 0.48 2.50 -0.07 -0.42 0.00 0.00 0.00 173.10 175.59 1qy6 s ILE 183 N -2.33 1.13 0.37 0.90 -1.09 -0.65 -1.54 121.20 117.99 1qy6 s ILE 183 Ca 0.21 -0.53 -0.28 0.00 -2.23 0.00 0.00 60.65 57.82 1qy6 s ILE 183 Cb -0.00 -1.24 -0.11 0.00 -1.58 0.00 0.00 42.46 39.53 1qy6 s ILE 183 CO 0.01 0.23 1.51 -2.28 -1.23 0.00 0.00 174.94 173.18 1qy6 s HIS 184 N 1.64 2.56 0.00 3.97 5.65 -0.53 -0.81 115.29 127.78 1qy6 s HIS 184 Ca 0.02 1.12 0.00 0.00 0.25 0.00 0.00 55.06 56.45 1qy6 s HIS 184 Cb -0.14 -4.05 0.00 0.00 -1.18 0.00 0.00 32.58 27.20 1qy6 s HIS 184 CO -0.08 -3.12 0.00 -2.67 -0.65 0.00 0.00 174.74 168.22 1qy6 n TRP 185 N 0.56 0.00 0.00 3.88 4.27 -0.76 -1.48 117.44 123.91 1qy6 n TRP 185 Ca 0.02 0.00 0.00 0.00 -3.89 0.00 0.00 57.50 53.63 1qy6 n TRP 185 Cb 0.39 0.00 0.00 0.00 -1.36 0.00 0.00 31.31 30.34 1qy6 n TRP 185 CO 0.00 0.00 0.00 0.41 -2.29 0.00 0.00 177.69 175.81 1qy6 n GLY 186 N 2.95 -0.27 0.19 -1.67 0.00 -1.21 -4.76 105.19 100.42 1qy6 n GLY 186 Ca 0.00 -0.90 -0.00 0.00 0.00 0.00 0.00 46.02 45.12 1qy6 n GLY 186 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1qy6 n GLY 187 N 0.00 1.18 3.04 -0.02 0.00 -1.26 -0.13 105.19 108.00 1qy6 n GLY 187 Ca 0.00 -0.92 -0.29 0.00 0.00 0.00 0.00 46.02 44.81 1qy6 n GLY 187 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1qy6 s VAL 188 N -2.49 1.53 -0.23 1.61 1.01 0.81 -4.88 120.40 117.75 1qy6 s VAL 188 Ca 0.01 -0.64 -0.43 0.00 0.00 0.00 0.00 61.98 60.92 1qy6 s VAL 188 Cb -0.00 -1.41 -0.19 0.00 0.00 0.00 0.00 36.38 34.77 1qy6 s VAL 188 CO 0.00 0.45 1.37 -2.65 0.00 0.00 0.00 175.10 174.27 1qy6 n PRO 189 N 4.43 0.16 -1.14 2.72 -0.02 -1.26 -0.98 135.00 138.91 1qy6 n PRO 189 Ca -0.18 0.06 -0.05 0.00 -2.02 0.00 0.00 63.50 61.31 1qy6 n PRO 189 Cb 0.51 -1.58 -0.02 0.00 -0.02 0.00 0.00 33.50 32.38 1qy6 n PRO 189 CO 0.00 0.00 0.00 0.09 1.98 0.00 0.00 175.50 177.57 1qy6 n ASN 190 N 2.95 -5.51 0.04 2.55 3.02 -1.26 -4.78 115.26 112.26 1qy6 n ASN 190 Ca 0.25 0.12 0.00 0.00 -0.03 0.00 0.00 54.58 54.92 1qy6 n ASN 190 Cb 0.03 -3.42 0.00 0.00 -0.61 0.00 0.00 39.78 35.77 1qy6 n ASN 190 CO 0.00 0.00 0.00 -0.62 -2.62 0.00 0.00 177.26 174.02 1qy6 n GLU 191 N -0.26 0.00 -3.83 3.52 1.02 -0.15 -5.08 120.64 115.85 1qy6 n GLU 191 Ca -0.05 0.00 -0.02 0.00 -0.02 0.00 0.00 57.16 57.07 1qy6 n GLU 191 Cb 0.48 -0.34 0.01 0.00 -0.02 0.00 0.00 31.44 31.56 1qy6 n GLU 191 CO 0.00 0.00 0.00 -0.59 1.18 0.00 0.00 177.13 177.72 1qy6 s PHE 192 N -1.72 0.00 0.07 -0.32 -0.71 -1.02 -5.00 117.98 109.28 1qy6 s PHE 192 Ca 0.00 -0.32 0.06 0.00 -1.04 0.00 0.00 56.93 55.63 1qy6 s PHE 192 Cb 0.00 0.65 -0.03 0.00 -1.21 0.00 0.00 43.02 42.44 1qy6 s PHE 192 CO 0.00 -0.76 -0.17 -0.80 -1.34 0.00 0.00 175.22 172.15 1qy6 s ASN 193 N -3.28 2.01 0.22 1.98 0.01 -1.18 -0.14 114.94 114.56 1qy6 s ASN 193 Ca 0.19 -0.59 -0.01 0.00 -0.71 0.00 0.00 52.86 51.75 1qy6 s ASN 193 Cb -0.01 -0.10 -0.04 0.00 0.41 0.00 0.00 41.25 41.51 1qy6 s ASN 193 CO 0.03 0.01 0.16 -0.83 -1.51 0.00 0.00 177.10 174.96 1qy6 s GLY 194 N -1.60 1.50 0.19 0.66 0.00 0.81 -1.55 107.32 107.34 1qy6 s GLY 194 Ca 0.02 -1.71 -0.09 0.00 0.00 0.00 0.00 44.72 42.94 1qy6 s GLY 194 CO 0.03 -1.37 0.32 0.00 0.00 0.00 0.00 173.10 172.07 1qy6 s ALA 195 N -4.07 0.06 -0.15 3.20 0.00 -0.33 -1.83 121.76 118.63 1qy6 s ALA 195 Ca 0.38 -0.97 -0.27 0.00 0.00 0.00 0.00 51.96 51.11 1qy6 s ALA 195 Cb 0.06 0.98 -0.01 0.00 0.00 0.00 0.00 23.12 24.15 1qy6 s ALA 195 CO 0.14 -0.70 0.89 0.08 0.00 0.00 0.00 175.76 176.17 1qy6 s VAL 196 N -4.00 4.84 -0.08 0.00 1.01 0.01 -2.14 120.40 120.04 1qy6 s VAL 196 Ca 0.21 1.76 -0.23 0.00 0.00 0.00 0.00 61.98 63.73 1qy6 s VAL 196 Cb 0.03 -4.19 -0.04 0.00 0.00 0.00 0.00 36.38 32.18 1qy6 s VAL 196 CO 0.04 0.01 0.67 0.12 0.00 0.00 0.00 175.10 175.94 1qy6 s PHE 197 N 2.16 3.55 -1.26 5.22 5.99 -0.30 -1.63 117.98 131.71 1qy6 s PHE 197 Ca 0.41 1.18 -0.16 0.00 0.00 0.00 0.00 56.93 58.36 1qy6 s PHE 197 Cb -0.17 -2.78 0.11 0.00 0.00 0.00 0.00 43.02 40.18 1qy6 s PHE 197 CO 0.13 0.07 1.61 0.42 -0.00 0.00 0.00 175.22 177.45 1qy6 s ILE 198 N 0.90 4.49 0.00 3.12 1.01 -1.07 -4.68 121.20 124.95 1qy6 s ILE 198 Ca 0.36 -2.18 0.00 0.00 0.00 0.00 0.00 60.65 58.82 1qy6 s ILE 198 Cb -0.17 -5.08 0.00 0.00 0.01 0.00 0.00 42.46 37.22 1qy6 s ILE 198 CO 0.16 -1.86 0.00 -0.46 0.00 0.00 0.00 174.94 172.78 1qy6 n ASN 199 N 7.30 0.00 -0.25 3.58 2.04 -1.26 -4.72 115.26 121.94 1qy6 n ASN 199 Ca 0.44 -0.64 0.00 0.00 -0.44 0.00 0.00 54.58 53.94 1qy6 n ASN 199 Cb 0.45 0.00 0.13 0.00 -2.53 0.00 0.00 39.78 37.82 1qy6 n ASN 199 CO 0.00 0.00 0.00 -0.08 -0.44 0.00 0.00 177.26 176.74 1qy6 h GLU 200 N 0.00 0.69 0.25 -3.83 4.81 -1.92 0.49 114.58 115.06 1qy6 h GLU 200 Ca 0.00 -0.04 -0.01 0.00 -0.13 0.00 0.00 59.36 59.18 1qy6 h GLU 200 Cb 0.00 -0.15 0.00 0.00 0.63 0.00 0.00 28.75 29.23 1qy6 h GLU 200 CO 0.00 0.45 -0.12 -0.91 -0.73 0.00 0.00 179.01 177.71 1qy6 h ASN 201 N 0.71 -0.28 -0.75 1.04 2.35 -1.96 -1.54 115.58 115.14 1qy6 h ASN 201 Ca 0.34 -0.06 -0.04 0.00 -0.55 0.00 0.00 56.30 55.99 1qy6 h ASN 201 Cb 0.27 0.07 -0.03 0.00 0.05 0.00 0.00 38.32 38.67 1qy6 h ASN 201 CO -0.22 -0.12 0.32 0.58 -1.65 0.00 0.00 177.43 176.35 1qy6 h VAL 202 N -0.43 1.25 -0.49 2.81 2.07 -1.86 -2.19 116.25 117.42 1qy6 h VAL 202 Ca -0.03 -0.76 -0.01 0.00 0.82 0.00 0.00 66.70 66.71 1qy6 h VAL 202 Cb 0.32 0.32 -0.02 0.00 -1.52 0.00 0.00 31.29 30.39 1qy6 h VAL 202 CO 0.06 0.31 0.27 -0.09 0.02 0.00 0.00 177.57 178.14 1qy6 h ARG 203 N 1.10 0.68 -0.75 1.57 2.43 -0.78 -1.28 114.38 117.35 1qy6 h ARG 203 Ca 0.26 -0.08 -0.03 0.00 -0.81 0.00 0.00 59.98 59.32 1qy6 h ARG 203 Cb 0.18 -0.13 -0.04 0.00 -0.42 0.00 0.00 29.97 29.56 1qy6 h ARG 203 CO -0.03 0.53 0.36 -0.91 -1.51 0.00 0.00 179.97 178.42 1qy6 h ASN 204 N 0.65 0.97 -0.19 -3.80 2.35 -1.00 -1.44 115.58 113.12 1qy6 h ASN 204 Ca 0.17 -0.11 -0.01 0.00 -0.55 0.00 0.00 56.30 55.80 1qy6 h ASN 204 Cb 0.05 -0.25 -0.01 0.00 0.05 0.00 0.00 38.32 38.16 1qy6 h ASN 204 CO -0.03 0.82 0.09 0.15 -1.65 0.00 0.00 177.43 176.81 1qy6 h PHE 205 N 1.07 0.27 -0.39 1.19 3.04 -0.98 -2.22 116.94 118.92 1qy6 h PHE 205 Ca 0.26 -0.01 -0.02 0.00 3.98 0.00 0.00 57.97 62.18 1qy6 h PHE 205 Cb 0.11 -0.08 -0.02 0.00 2.56 0.00 0.00 35.95 38.52 1qy6 h PHE 205 CO 0.01 0.29 0.18 -0.07 -2.02 0.00 0.00 178.31 176.70 1qy6 h LEU 206 N 0.17 0.52 -1.59 0.59 3.38 -0.94 -2.63 115.31 114.80 1qy6 h LEU 206 Ca 0.06 -0.14 -0.03 0.00 0.09 0.00 0.00 57.88 57.86 1qy6 h LEU 206 Cb 0.13 -0.13 -0.01 0.00 0.09 0.00 0.00 40.66 40.73 1qy6 h LEU 206 CO -0.01 0.51 -0.06 0.11 0.09 0.00 0.00 178.44 179.09 1qy6 h LYS 207 N 0.49 0.19 0.00 1.13 1.57 -1.21 0.76 116.57 119.49 1qy6 h LYS 207 Ca 0.13 -0.03 -0.05 0.00 -1.87 0.00 0.00 60.65 58.83 1qy6 h LYS 207 Cb 0.14 -0.03 -0.01 0.00 0.08 0.00 0.00 32.23 32.41 1qy6 h LYS 207 CO -0.01 0.26 -0.25 1.96 -0.57 0.00 0.00 179.45 180.84 1qy6 h GLN 208 N 0.18 0.00 0.00 3.15 7.50 -1.18 -3.32 115.11 121.44 1qy6 h GLN 208 Ca 0.04 0.00 0.00 0.00 0.50 0.00 0.00 58.65 59.19 1qy6 h GLN 208 Cb 0.23 0.00 0.00 0.00 0.05 0.00 0.00 27.48 27.76 1qy6 h GLN 208 CO 0.01 0.25 -0.74 0.09 -1.50 0.00 0.00 178.83 176.93 1qy6 n ASN 209 N -3.24 0.76 -3.82 1.46 3.02 -0.81 -4.89 115.26 107.74 1qy6 n ASN 209 Ca 0.02 -0.73 -0.29 0.00 -0.03 0.00 0.00 54.58 53.55 1qy6 n ASN 209 Cb 0.55 1.07 -0.16 0.00 -0.61 0.00 0.00 39.78 40.63 1qy6 n ASN 209 CO 0.00 0.00 0.00 -0.63 -2.62 0.00 0.00 177.26 174.01 1qy6 s ILE 210 N -2.34 1.01 0.23 2.41 1.01 0.20 -5.03 121.20 118.69 1qy6 s ILE 210 Ca 0.04 -0.96 -0.05 0.00 0.00 0.00 0.00 60.65 59.68 1qy6 s ILE 210 Cb 0.10 -1.45 0.14 0.00 0.01 0.00 0.00 42.46 41.26 1qy6 s ILE 210 CO 0.55 -0.23 1.77 1.05 0.00 0.00 0.00 174.94 178.09 1qy6 h GLU 211 N 8.10 1.02 -0.54 2.79 9.09 -1.86 -3.25 114.58 129.92 1qy6 h GLU 211 Ca -0.16 -0.22 0.00 0.00 0.05 0.00 0.00 59.36 59.02 1qy6 h GLU 211 Cb 1.09 -0.14 0.00 0.00 -1.65 0.00 0.00 28.75 28.04 1qy6 h GLU 211 CO 0.39 0.89 0.00 -0.40 0.05 0.00 0.00 179.01 179.94 1qy6 n ASP 212 N -4.25 4.68 -4.77 3.06 3.85 -1.26 -5.00 116.55 112.87 1qy6 n ASP 212 Ca 0.05 -2.61 -0.40 0.00 -0.71 0.00 0.00 54.79 51.13 1qy6 n ASP 212 Cb 0.24 -0.57 -0.01 0.00 -1.35 0.00 0.00 41.12 39.44 1qy6 n ASP 212 CO 0.00 0.00 0.00 -0.51 -1.01 0.00 0.00 177.20 175.68 1qy6 s ILE 213 N -2.13 2.65 -0.30 2.12 2.07 -1.23 -4.85 121.20 119.53 1qy6 s ILE 213 Ca 0.48 0.59 -0.04 0.00 -1.41 0.00 0.00 60.65 60.27 1qy6 s ILE 213 Cb 0.33 -3.35 0.03 0.00 0.13 0.00 0.00 42.46 39.61 1qy6 s ILE 213 CO 0.19 0.09 0.03 0.21 -1.91 0.00 0.00 174.94 173.56 1qy6 s ASN 214 N -0.73 4.94 -0.17 4.50 2.47 -1.26 -5.08 114.94 119.61 1qy6 s ASN 214 Ca 0.56 -1.03 -0.08 0.00 0.42 0.00 0.00 52.86 52.73 1qy6 s ASN 214 Cb -0.38 -1.78 -0.04 0.00 -1.45 0.00 0.00 41.25 37.60 1qy6 s ASN 214 CO 0.49 -0.24 0.09 -0.36 -3.72 0.00 0.00 177.10 173.36 1qy6 s PHE 215 N 1.36 3.34 -2.00 0.43 0.40 -1.26 -0.74 117.98 119.52 1qy6 s PHE 215 Ca -0.01 0.22 0.03 0.00 -0.60 0.00 0.00 56.93 56.56 1qy6 s PHE 215 Cb -0.18 -2.07 0.16 0.00 0.51 0.00 0.00 43.02 41.44 1qy6 s PHE 215 CO 0.00 0.29 0.65 0.00 0.70 0.00 0.00 175.22 176.86