#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2qky s ARG 40 N 0.00 3.64 0.86 1.09 0.52 -1.26 -5.02 118.95 118.78 2qky s ARG 40 Ca 0.00 1.29 -0.11 0.00 -0.52 0.00 0.00 55.73 56.38 2qky s ARG 40 Cb 0.00 -2.08 0.11 0.00 0.52 0.00 0.00 34.95 33.50 2qky s ARG 40 CO 0.00 -0.55 1.09 -1.59 0.02 0.00 0.00 175.30 174.27 2qky s LYS 41 N -3.56 1.53 0.56 3.54 -2.85 -1.25 -4.75 119.74 112.95 2qky s LYS 41 Ca 0.66 0.91 0.05 0.00 -1.00 0.00 0.00 55.97 56.59 2qky s LYS 41 Cb -0.16 -1.83 0.05 0.00 -2.06 0.00 0.00 37.83 33.83 2qky s LYS 41 CO 0.26 -2.08 0.44 0.25 0.10 0.00 0.00 175.35 174.32 2qky n THR 42 N -3.78 0.00 -2.77 3.79 -2.24 -1.26 -1.96 114.28 106.06 2qky n THR 42 Ca 0.08 -2.22 -0.43 0.00 -2.27 0.00 0.00 64.05 59.21 2qky n THR 42 Cb 0.55 -0.03 -0.03 0.00 -2.10 0.00 0.00 70.33 68.71 2qky n THR 42 CO 0.00 0.00 0.00 -0.47 -0.57 0.00 0.00 175.07 174.03 2qky s TYR 43 N -2.79 2.94 0.30 4.78 5.04 -1.26 -4.85 117.35 121.52 2qky s TYR 43 Ca 0.33 0.56 0.02 0.00 -2.44 0.00 0.00 57.07 55.54 2qky s TYR 43 Cb -0.03 -3.98 -0.03 0.00 0.35 0.00 0.00 41.96 38.27 2qky s TYR 43 CO 0.21 -1.06 0.48 0.95 -1.34 0.00 0.00 175.55 174.79 2qky s THR 44 N 3.83 5.16 0.46 4.34 -4.23 -1.26 -4.00 115.64 119.94 2qky s THR 44 Ca 0.40 -0.61 0.17 0.00 -1.18 0.00 0.00 61.69 60.47 2qky s THR 44 Cb -0.10 -3.85 0.34 0.00 1.34 0.00 0.00 72.50 70.23 2qky s THR 44 CO 0.25 -0.46 2.00 0.25 -0.54 0.00 0.00 174.62 176.12 2qky h LEU 45 N 0.99 0.25 -0.48 4.79 5.85 -1.95 0.23 115.31 125.00 2qky h LEU 45 Ca -0.50 0.01 -0.08 0.00 0.84 0.00 0.00 57.88 58.15 2qky h LEU 45 Cb 1.22 -0.05 -0.02 0.00 0.37 0.00 0.00 40.66 42.19 2qky h LEU 45 CO 0.62 0.15 0.00 0.74 -0.34 0.00 0.00 178.44 179.61 2qky h THR 46 N 0.27 1.26 0.00 1.05 2.02 -1.98 -0.71 112.91 114.82 2qky h THR 46 Ca 0.25 -1.06 0.00 0.00 0.77 0.00 0.00 66.41 66.37 2qky h THR 46 Cb 0.63 1.00 0.00 0.00 -1.74 0.00 0.00 68.15 68.04 2qky h THR 46 CO -0.05 0.37 0.00 0.47 0.37 0.00 0.00 175.52 176.67 2qky n ASP 47 N -4.35 0.56 -0.01 4.18 10.43 0.75 -1.36 116.55 126.74 2qky n ASP 47 Ca 0.01 0.68 -0.01 0.00 2.57 0.00 0.00 54.79 58.04 2qky n ASP 47 Cb 0.31 -0.79 -0.00 0.00 1.84 0.00 0.00 41.12 42.48 2qky n ASP 47 CO 0.00 0.00 0.00 0.00 -1.07 0.00 0.00 177.20 176.13 2qky n TYR 48 N -2.17 0.13 0.18 1.24 9.36 -0.81 -2.71 117.16 122.38 2qky n TYR 48 Ca 0.01 0.06 0.18 0.00 3.32 0.00 0.00 57.90 61.47 2qky n TYR 48 Cb 0.15 -0.28 0.74 0.00 -0.63 0.00 0.00 39.34 39.32 2qky n TYR 48 CO 0.00 0.00 0.00 -0.07 0.22 0.00 0.00 176.86 177.01 2qky h LEU 49 N -0.20 0.00 0.01 2.98 3.38 -1.20 -2.33 115.31 117.96 2qky h LEU 49 Ca 0.00 0.00 -0.34 0.00 0.09 0.00 0.00 57.88 57.63 2qky h LEU 49 Cb 0.13 0.00 -0.06 0.00 0.09 0.00 0.00 40.66 40.82 2qky h LEU 49 CO 0.00 0.00 -2.12 0.29 0.09 0.00 0.00 178.44 176.70 2qky n LYS 50 N -3.35 0.67 -1.28 1.13 4.76 -0.46 -4.98 118.16 114.65 2qky n LYS 50 Ca 0.04 0.13 0.00 0.00 -2.87 0.00 0.00 58.31 55.61 2qky n LYS 50 Cb 0.58 -1.63 0.00 0.00 -1.84 0.00 0.00 35.03 32.13 2qky n LYS 50 CO 0.00 0.00 0.00 0.09 -1.37 0.00 0.00 177.40 176.12 2qky n ASN 51 N -2.93 -0.65 -0.32 4.39 3.02 -0.88 -4.94 115.26 112.96 2qky n ASN 51 Ca -0.28 0.00 0.20 0.00 -0.03 0.00 0.00 54.58 54.47 2qky n ASN 51 Cb 1.10 -0.32 0.40 0.00 -0.61 0.00 0.00 39.78 40.35 2qky n ASN 51 CO 0.00 0.00 0.00 0.71 -2.62 0.00 0.00 177.26 175.35 2qky h THR 52 N 0.00 0.29 -3.56 3.41 1.35 -1.80 -3.21 112.91 109.39 2qky h THR 52 Ca 0.00 -0.09 -0.73 0.00 -0.55 0.00 0.00 66.41 65.04 2qky h THR 52 Cb 0.64 0.00 -0.31 0.00 -1.73 0.00 0.00 68.15 66.75 2qky h THR 52 CO 0.00 0.05 -0.25 -0.31 -0.25 0.00 0.00 175.52 174.76 2qky s TYR 53 N -5.77 3.52 -0.13 4.73 2.02 -1.26 -5.07 117.35 115.38 2qky s TYR 53 Ca -0.11 -2.31 -0.22 0.00 -0.37 0.00 0.00 57.07 54.06 2qky s TYR 53 Cb 0.29 -3.45 -0.03 0.00 -0.40 0.00 0.00 41.96 38.37 2qky s TYR 53 CO 0.78 -0.92 0.67 1.03 -1.57 0.00 0.00 175.55 175.54 2qky s ARG 54 N 0.36 4.33 -0.12 -0.62 0.52 -1.21 -5.04 118.95 117.17 2qky s ARG 54 Ca 0.14 0.76 -0.30 0.00 -0.52 0.00 0.00 55.73 55.82 2qky s ARG 54 Cb -0.19 -3.51 -0.01 0.00 0.52 0.00 0.00 34.95 31.76 2qky s ARG 54 CO -0.04 -0.09 1.03 -1.17 0.02 0.00 0.00 175.30 175.05 2qky s LEU 55 N 1.36 4.23 0.14 2.53 2.96 -1.26 -4.81 118.68 123.83 2qky s LEU 55 Ca 0.33 1.54 -0.30 0.00 -0.22 0.00 0.00 54.13 55.48 2qky s LEU 55 Cb -0.17 -3.55 -0.06 0.00 0.50 0.00 0.00 46.19 42.91 2qky s LEU 55 CO 0.14 -0.49 1.00 -0.54 -1.32 0.00 0.00 176.35 175.14 2qky s LYS 56 N 2.18 4.68 0.00 1.98 1.02 -1.26 -5.06 119.74 123.28 2qky s LYS 56 Ca 0.49 1.53 0.00 0.00 0.02 0.00 0.00 55.97 58.00 2qky s LYS 56 Cb -0.18 -3.34 0.00 0.00 -0.52 0.00 0.00 37.83 33.78 2qky s LYS 56 CO 0.17 0.20 0.00 1.28 -0.92 0.00 0.00 175.35 176.08 2qky n LEU 57 N 2.59 0.00 -2.88 3.17 4.32 -1.26 -4.84 117.00 118.10 2qky n LEU 57 Ca 0.02 0.00 -0.03 0.00 -0.02 0.00 0.00 56.01 55.99 2qky n LEU 57 Cb 0.48 0.00 0.01 0.00 -1.62 0.00 0.00 43.42 42.29 2qky n LEU 57 CO 0.52 -0.12 0.13 -0.47 -1.22 0.00 0.00 177.39 176.24 2qky s TYR 58 N 0.12 -1.57 -0.23 -1.77 5.04 -1.26 -4.92 117.35 112.76 2qky s TYR 58 Ca 0.00 -0.31 -0.19 0.00 -2.44 0.00 0.00 57.07 54.13 2qky s TYR 58 Cb 0.00 0.30 -0.03 0.00 0.35 0.00 0.00 41.96 42.59 2qky s TYR 58 CO 0.00 -1.19 0.55 -1.12 -1.34 0.00 0.00 175.55 172.45 2qky s SER 59 N 1.16 6.54 0.10 4.32 0.01 -1.26 -5.04 113.70 119.54 2qky s SER 59 Ca 0.26 0.65 0.07 0.00 1.31 0.00 0.00 55.95 58.23 2qky s SER 59 Cb -0.00 -2.30 -0.03 0.00 0.21 0.00 0.00 66.02 63.89 2qky s SER 59 CO -0.06 -0.26 -0.16 -1.48 0.41 0.00 0.00 173.24 171.69 2qky s LEU 60 N 2.04 2.34 -0.16 2.44 0.05 -1.26 -4.45 118.68 119.67 2qky s LEU 60 Ca 0.24 -0.72 -0.00 0.00 0.05 0.00 0.00 54.13 53.70 2qky s LEU 60 Cb -0.16 -0.65 0.04 0.00 -2.05 0.00 0.00 46.19 43.37 2qky s LEU 60 CO 0.09 -0.06 -0.08 -0.60 -0.55 0.00 0.00 176.35 175.15 2qky s ARG 61 N -2.18 1.72 -0.00 1.48 3.52 -0.58 -4.91 118.95 118.00 2qky s ARG 61 Ca 0.05 -0.54 -0.30 0.00 -0.13 0.00 0.00 55.73 54.81 2qky s ARG 61 Cb -0.08 -2.03 -0.05 0.00 -1.56 0.00 0.00 34.95 31.22 2qky s ARG 61 CO 0.03 -0.37 1.41 -1.58 -0.81 0.00 0.00 175.30 173.98 2qky s TRP 62 N 1.57 2.84 -0.19 5.12 0.52 -1.26 -0.42 118.94 127.12 2qky s TRP 62 Ca 0.02 0.81 0.12 0.00 0.02 0.00 0.00 56.10 57.07 2qky s TRP 62 Cb -0.15 -3.67 -0.20 0.00 -1.15 0.00 0.00 33.47 28.30 2qky s TRP 62 CO -0.08 -2.47 -0.00 0.44 0.02 0.00 0.00 176.95 174.85 2qky n ILE 63 N 4.68 1.24 -3.30 2.03 -5.35 0.50 -4.87 119.36 114.30 2qky n ILE 63 Ca 0.13 -0.69 0.00 0.00 -0.27 0.00 0.00 62.75 61.92 2qky n ILE 63 Cb 0.44 -0.72 0.00 0.00 -1.74 0.00 0.00 39.64 37.61 2qky n ILE 63 CO 0.00 0.00 0.00 -1.54 -1.76 0.00 0.00 176.55 173.25 2qky n SER 64 N -2.79 1.44 -0.93 7.28 3.41 -1.08 -4.99 113.62 115.97 2qky n SER 64 Ca -0.32 -0.30 0.09 0.00 -0.26 0.00 0.00 58.87 58.08 2qky n SER 64 Cb 1.04 0.00 0.24 0.00 -0.26 0.00 0.00 64.21 65.24 2qky n SER 64 CO 0.00 0.00 0.00 -0.67 -0.16 0.00 0.00 175.04 174.21 2qky n ASP 65 N -0.46 2.70 -0.32 4.04 2.03 -1.26 -3.04 116.55 120.24 2qky n ASP 65 Ca 0.00 -1.97 0.00 0.00 0.52 0.00 0.00 54.79 53.34 2qky n ASP 65 Cb 0.00 -0.31 0.00 0.00 -0.72 0.00 0.00 41.12 40.09 2qky n ASP 65 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 2qky n HIS 66 N 0.98 0.00 -3.82 -0.67 1.44 -1.26 -4.30 115.22 107.59 2qky n HIS 66 Ca 0.17 0.00 -0.13 0.00 -2.01 0.00 0.00 57.72 55.76 2qky n HIS 66 Cb 0.44 0.16 -0.13 0.00 0.12 0.00 0.00 29.99 30.57 2qky n HIS 66 CO 0.00 0.00 0.00 -1.21 -2.81 0.00 0.00 176.34 172.32 2qky s GLU 67 N 0.00 0.10 0.09 -1.40 2.02 -1.26 -1.78 118.70 116.47 2qky s GLU 67 Ca 0.00 0.18 0.03 0.00 0.02 0.00 0.00 54.97 55.20 2qky s GLU 67 Cb 0.00 -0.01 -0.04 0.00 0.10 0.00 0.00 34.13 34.19 2qky s GLU 67 CO 0.00 -0.05 -0.09 1.52 0.02 0.00 0.00 175.26 176.66 2qky s TYR 68 N 0.31 0.94 0.04 1.61 -0.85 -0.72 -0.37 117.35 118.32 2qky s TYR 68 Ca -0.02 -0.69 -0.01 0.00 -0.52 0.00 0.00 57.07 55.82 2qky s TYR 68 Cb -0.03 -0.53 -0.04 0.00 0.38 0.00 0.00 41.96 41.74 2qky s TYR 68 CO -0.01 -0.06 0.21 -0.51 -1.52 0.00 0.00 175.55 173.66 2qky s LEU 69 N -2.42 4.36 -0.15 -3.49 1.43 0.44 0.09 118.68 118.93 2qky s LEU 69 Ca 0.04 0.32 -0.07 0.00 -1.03 0.00 0.00 54.13 53.39 2qky s LEU 69 Cb -0.02 -2.86 0.06 0.00 0.03 0.00 0.00 46.19 43.40 2qky s LEU 69 CO -0.01 0.20 0.34 -0.47 0.23 0.00 0.00 176.35 176.63 2qky s TYR 70 N -1.45 -0.52 0.16 0.29 5.04 -0.13 -1.53 117.35 119.21 2qky s TYR 70 Ca 0.33 1.12 -0.28 0.00 -2.44 0.00 0.00 57.07 55.80 2qky s TYR 70 Cb -0.13 0.16 -0.08 0.00 0.35 0.00 0.00 41.96 42.27 2qky s TYR 70 CO 0.25 -0.33 0.88 0.21 -1.34 0.00 0.00 175.55 175.21 2qky s LYS 71 N 1.70 4.70 -0.24 4.97 2.20 -1.26 -0.21 119.74 131.59 2qky s LYS 71 Ca -0.07 1.34 -0.02 0.00 -0.36 0.00 0.00 55.97 56.86 2qky s LYS 71 Cb -0.10 -3.31 0.12 0.00 -1.51 0.00 0.00 37.83 33.04 2qky s LYS 71 CO -0.11 0.43 0.32 -1.14 -0.36 0.00 0.00 175.35 174.49 2qky s GLN 72 N -0.75 0.30 -0.80 4.03 0.74 0.03 -4.89 119.66 118.32 2qky s GLN 72 Ca 0.41 0.30 -0.02 0.00 0.05 0.00 0.00 55.36 56.09 2qky s GLN 72 Cb -0.24 -0.71 -0.03 0.00 1.10 0.00 0.00 33.01 33.13 2qky s GLN 72 CO 0.29 -0.74 0.68 0.39 -0.55 0.00 0.00 175.29 175.36 2qky n GLU 73 N 5.34 -3.04 -0.12 1.67 1.02 -1.26 -2.76 120.64 121.49 2qky n GLU 73 Ca -0.04 0.61 0.00 0.00 -0.02 0.00 0.00 57.16 57.72 2qky n GLU 73 Cb 0.49 -4.73 0.00 0.00 -0.02 0.00 0.00 31.44 27.18 2qky n GLU 73 CO 0.00 0.00 0.00 0.09 1.18 0.00 0.00 177.13 178.40 2qky n ASN 74 N -2.63 0.00 -4.52 1.62 3.02 -1.26 -4.72 115.26 106.77 2qky n ASN 74 Ca -0.12 0.00 -0.41 0.00 -0.03 0.00 0.00 54.58 54.02 2qky n ASN 74 Cb 0.60 -1.56 -0.10 0.00 -0.61 0.00 0.00 39.78 38.10 2qky n ASN 74 CO 0.00 0.00 0.00 0.21 -2.62 0.00 0.00 177.26 174.85 2qky s ASN 75 N -1.77 6.08 -0.15 6.41 3.84 -1.11 -3.96 114.94 124.27 2qky s ASN 75 Ca 0.00 -0.49 -0.29 0.00 0.21 0.00 0.00 52.86 52.29 2qky s ASN 75 Cb 0.00 -2.15 -0.01 0.00 -0.55 0.00 0.00 41.25 38.54 2qky s ASN 75 CO 0.00 -0.28 1.17 -0.63 -2.79 0.00 0.00 177.10 174.57 2qky s ILE 76 N 1.74 4.41 0.25 -5.21 1.01 -0.94 -0.79 121.20 121.67 2qky s ILE 76 Ca 0.06 1.71 0.07 0.00 0.00 0.00 0.00 60.65 62.49 2qky s ILE 76 Cb -0.18 -4.10 -0.04 0.00 0.01 0.00 0.00 42.46 38.16 2qky s ILE 76 CO 0.11 -0.11 0.22 -0.76 0.00 0.00 0.00 174.94 174.40 2qky s LEU 77 N 3.04 3.89 -0.09 2.97 1.43 0.71 -1.19 118.68 129.43 2qky s LEU 77 Ca 0.52 -0.20 -0.00 0.00 -1.03 0.00 0.00 54.13 53.41 2qky s LEU 77 Cb -0.20 -2.42 -0.03 0.00 0.03 0.00 0.00 46.19 43.57 2qky s LEU 77 CO 0.14 -0.04 -0.05 0.54 0.23 0.00 0.00 176.35 177.17 2qky s VAL 78 N -2.10 3.82 0.04 -1.59 0.11 -0.16 -0.95 120.40 119.57 2qky s VAL 78 Ca 0.33 -0.42 0.08 0.00 -2.93 0.00 0.00 61.98 59.04 2qky s VAL 78 Cb -0.08 -2.59 -0.03 0.00 -1.53 0.00 0.00 36.38 32.15 2qky s VAL 78 CO 0.25 0.58 -0.23 -0.36 -3.33 0.00 0.00 175.10 172.02 2qky s PHE 79 N -0.60 2.01 -0.44 1.54 0.08 0.11 -1.93 117.98 118.75 2qky s PHE 79 Ca 0.09 -0.39 -0.16 0.00 0.12 0.00 0.00 56.93 56.59 2qky s PHE 79 Cb -0.12 -1.21 0.04 0.00 -0.57 0.00 0.00 43.02 41.17 2qky s PHE 79 CO 0.02 0.10 0.39 1.21 -0.10 0.00 0.00 175.22 176.84 2qky s ASN 80 N -1.18 6.15 0.61 1.36 3.84 -0.83 -1.75 114.94 123.14 2qky s ASN 80 Ca 0.09 -1.01 0.36 0.00 0.21 0.00 0.00 52.86 52.51 2qky s ASN 80 Cb -0.09 -2.19 1.95 0.00 -0.55 0.00 0.00 41.25 40.37 2qky s ASN 80 CO 0.02 -0.58 2.09 0.00 -2.79 0.00 0.00 177.10 175.84 2qky h ALA 81 N 8.73 1.12 0.05 1.71 0.00 -1.68 0.18 119.26 129.36 2qky h ALA 81 Ca -0.27 0.00 -0.00 0.00 0.00 0.00 0.00 54.91 54.63 2qky h ALA 81 Cb 1.11 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.90 2qky h ALA 81 CO 0.82 -0.12 -0.02 1.49 0.00 0.00 0.00 179.25 181.41 2qky h GLU 82 N 0.00 -0.06 0.02 0.00 4.57 -1.93 -3.40 114.58 113.78 2qky h GLU 82 Ca 0.00 0.00 -0.32 0.00 -1.18 0.00 0.00 59.36 57.87 2qky h GLU 82 Cb 0.25 0.01 -0.05 0.00 -0.16 0.00 0.00 28.75 28.81 2qky h GLU 82 CO 0.00 -0.04 -1.85 0.66 -1.18 0.00 0.00 179.01 176.59 2qky n TYR 83 N -4.55 0.92 -0.12 0.92 4.02 -1.21 -4.98 117.16 112.17 2qky n TYR 83 Ca -0.01 0.30 0.00 0.00 -0.01 0.00 0.00 57.90 58.18 2qky n TYR 83 Cb 0.03 -1.16 0.00 0.00 -0.02 0.00 0.00 39.34 38.19 2qky n TYR 83 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 2qky n GLY 84 N 1.68 0.85 3.74 2.72 0.00 0.61 -5.07 105.19 109.72 2qky n GLY 84 Ca -0.22 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.50 2qky n GLY 84 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2qky s ASN 85 N -2.24 3.96 0.19 1.61 4.22 -1.26 -4.73 114.94 116.70 2qky s ASN 85 Ca 0.00 1.66 -0.10 0.00 -2.14 0.00 0.00 52.86 52.28 2qky s ASN 85 Cb 0.00 -2.34 -0.01 0.00 1.28 0.00 0.00 41.25 40.18 2qky s ASN 85 CO 0.00 -2.36 0.34 -0.94 -2.04 0.00 0.00 177.10 172.10 2qky s SER 86 N -3.40 -0.01 0.04 3.54 1.04 -1.26 -1.96 113.70 111.69 2qky s SER 86 Ca 0.62 -0.89 -0.05 0.00 0.48 0.00 0.00 55.95 56.11 2qky s SER 86 Cb -0.18 0.48 -0.01 0.00 0.10 0.00 0.00 66.02 66.41 2qky s SER 86 CO 0.57 -0.96 0.09 -0.44 0.98 0.00 0.00 173.24 173.47 2qky s SER 87 N -2.99 0.19 -1.01 7.02 0.01 -0.81 -4.95 113.70 111.17 2qky s SER 87 Ca 0.19 -0.55 -0.23 0.00 1.31 0.00 0.00 55.95 56.67 2qky s SER 87 Cb 0.02 0.22 0.00 0.00 0.21 0.00 0.00 66.02 66.48 2qky s SER 87 CO 0.03 -0.50 1.71 -0.69 0.41 0.00 0.00 173.24 174.19 2qky s VAL 88 N -2.62 3.72 0.07 3.43 1.01 -1.26 -0.99 120.40 123.77 2qky s VAL 88 Ca -0.05 -0.71 -0.34 0.00 0.00 0.00 0.00 61.98 60.87 2qky s VAL 88 Cb -0.01 -4.61 -0.18 0.00 0.00 0.00 0.00 36.38 31.57 2qky s VAL 88 CO -0.05 -1.48 1.60 0.15 0.00 0.00 0.00 175.10 175.32 2qky h PHE 89 N 10.20 -1.06 -3.04 5.22 3.04 -1.63 -3.40 116.94 126.27 2qky h PHE 89 Ca 0.18 -0.01 -0.57 0.00 3.98 0.00 0.00 57.97 61.55 2qky h PHE 89 Cb 0.99 0.37 -0.40 0.00 2.56 0.00 0.00 35.95 39.47 2qky h PHE 89 CO 1.26 -0.61 -0.76 -1.17 -2.02 0.00 0.00 178.31 175.00 2qky s LEU 90 N -10.07 1.70 0.08 0.59 2.96 -0.33 -5.02 118.68 108.58 2qky s LEU 90 Ca -0.18 -1.53 -0.36 0.00 -0.22 0.00 0.00 54.13 51.84 2qky s LEU 90 Cb 0.04 -0.70 -0.18 0.00 0.50 0.00 0.00 46.19 45.84 2qky s LEU 90 CO 0.61 -0.42 0.99 -0.62 -1.32 0.00 0.00 176.35 175.59 2qky n GLU 91 N 4.97 0.31 0.11 1.98 -0.58 -1.26 -2.20 120.64 123.97 2qky n GLU 91 Ca -0.03 0.11 0.07 0.00 -0.42 0.00 0.00 57.16 56.89 2qky n GLU 91 Cb 0.42 -1.51 0.37 0.00 -0.57 0.00 0.00 31.44 30.15 2qky n GLU 91 CO 0.00 0.00 0.00 0.27 -0.48 0.00 0.00 177.13 176.92 2qky n ASN 92 N 1.79 0.35 0.00 1.62 6.94 -1.25 -1.15 115.26 123.56 2qky n ASN 92 Ca 0.19 0.63 0.11 0.00 -0.02 0.00 0.00 54.58 55.49 2qky n ASN 92 Cb 0.16 -0.66 0.14 0.00 -2.36 0.00 0.00 39.78 37.05 2qky n ASN 92 CO 0.00 0.00 0.00 -0.24 -1.03 0.00 0.00 177.26 175.99 2qky n SER 93 N -1.97 0.65 -0.27 0.53 2.88 -1.26 -4.65 113.62 109.52 2qky n SER 93 Ca -0.01 -0.47 -0.10 0.00 -1.33 0.00 0.00 58.87 56.96 2qky n SER 93 Cb 0.09 0.48 -0.08 0.00 -0.75 0.00 0.00 64.21 63.95 2qky n SER 93 CO 0.00 0.00 0.00 0.74 -1.23 0.00 0.00 175.04 174.55 2qky h THR 94 N 0.00 0.00 -1.28 2.46 2.02 -1.47 0.12 112.91 114.76 2qky h THR 94 Ca 0.00 0.00 -0.62 0.00 0.77 0.00 0.00 66.41 66.56 2qky h THR 94 Cb 0.50 0.00 -0.24 0.00 -1.74 0.00 0.00 68.15 66.68 2qky h THR 94 CO 0.00 0.00 0.77 0.49 0.37 0.00 0.00 175.52 177.15 2qky n PHE 95 N -4.84 2.54 0.00 3.16 3.72 -1.26 -4.60 117.46 116.17 2qky n PHE 95 Ca 0.00 -2.39 0.00 0.00 -0.05 0.00 0.00 57.45 55.01 2qky n PHE 95 Cb 0.23 -1.27 0.00 0.00 -0.94 0.00 0.00 39.48 37.50 2qky n PHE 95 CO 0.00 0.00 0.00 -3.47 -0.05 0.00 0.00 176.76 173.24 2qky n ASP 96 N -0.21 0.00 -2.69 4.37 2.03 0.41 -1.70 116.55 118.76 2qky n ASP 96 Ca 0.52 0.46 -0.08 0.00 0.52 0.00 0.00 54.79 56.21 2qky n ASP 96 Cb 0.48 -0.46 0.09 0.00 -0.72 0.00 0.00 41.12 40.51 2qky n ASP 96 CO 0.00 0.00 0.00 -1.84 -1.92 0.00 0.00 177.20 173.44 2qky n GLU 97 N -1.46 1.18 -0.06 -0.67 0.28 -1.26 -4.92 120.64 113.73 2qky n GLU 97 Ca 0.00 -2.33 -0.13 0.00 -0.16 0.00 0.00 57.16 54.54 2qky n GLU 97 Cb 0.01 -0.47 -0.06 0.00 1.43 0.00 0.00 31.44 32.34 2qky n GLU 97 CO 0.00 0.00 0.00 0.35 -0.16 0.00 0.00 177.13 177.32 2qky h PHE 98 N 2.36 0.47 0.00 -1.84 3.57 -1.67 -3.48 116.94 116.35 2qky h PHE 98 Ca -0.22 -0.13 0.00 0.00 3.53 0.00 0.00 57.97 61.15 2qky h PHE 98 Cb 1.26 -0.10 0.00 0.00 2.79 0.00 0.00 35.95 39.89 2qky h PHE 98 CO 0.26 0.75 0.00 0.41 -2.23 0.00 0.00 178.31 177.50 2qky n GLY 99 N 0.11 0.90 3.40 2.40 0.00 -1.26 -5.09 105.19 105.65 2qky n GLY 99 Ca -0.05 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.75 2qky n GLY 99 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 2qky s HIS 100 N -1.32 1.98 -0.21 1.61 3.76 -1.26 -5.09 115.29 114.76 2qky s HIS 100 Ca 0.00 -0.46 -0.29 0.00 -0.15 0.00 0.00 55.06 54.16 2qky s HIS 100 Cb 0.00 -0.89 0.00 0.00 1.11 0.00 0.00 32.58 32.80 2qky s HIS 100 CO 0.00 0.52 1.01 0.45 -0.85 0.00 0.00 174.74 175.88 2qky s SER 101 N -3.41 7.10 -0.84 1.40 0.15 -1.26 -4.97 113.70 111.87 2qky s SER 101 Ca 0.26 1.38 -0.23 0.00 0.70 0.00 0.00 55.95 58.06 2qky s SER 101 Cb -0.03 -2.53 0.07 0.00 -1.71 0.00 0.00 66.02 61.82 2qky s SER 101 CO 0.11 -0.61 1.21 -0.63 1.20 0.00 0.00 173.24 174.52 2qky s ILE 102 N 2.92 4.15 0.19 6.45 1.01 -1.26 -4.48 121.20 130.18 2qky s ILE 102 Ca 0.44 -0.54 -0.13 0.00 0.00 0.00 0.00 60.65 60.41 2qky s ILE 102 Cb -0.16 -4.87 0.13 0.00 0.01 0.00 0.00 42.46 37.58 2qky s ILE 102 CO 0.08 -1.70 1.69 -1.13 0.00 0.00 0.00 174.94 173.88 2qky h ASN 103 N 9.59 -0.17 -4.63 3.58 -1.24 -0.93 -3.46 115.58 118.32 2qky h ASN 103 Ca -0.05 0.12 0.06 0.00 0.71 0.00 0.00 56.30 57.13 2qky h ASN 103 Cb 1.04 0.20 -0.17 0.00 0.73 0.00 0.00 38.32 40.12 2qky h ASN 103 CO 1.26 -0.05 0.42 -0.62 -1.29 0.00 0.00 177.43 177.15 2qky s ASP 104 N -5.26 -0.43 0.01 1.15 2.15 -1.13 -5.01 116.67 108.13 2qky s ASP 104 Ca -0.13 0.18 0.05 0.00 0.43 0.00 0.00 52.55 53.07 2qky s ASP 104 Cb 0.16 0.42 -0.02 0.00 -0.30 0.00 0.00 42.92 43.19 2qky s ASP 104 CO 0.73 -0.61 -0.15 -0.72 -0.17 0.00 0.00 175.17 174.24 2qky s TYR 105 N -2.54 1.37 -0.13 -5.34 1.13 -1.26 -0.80 117.35 109.77 2qky s TYR 105 Ca 0.01 -0.29 -0.00 0.00 -1.41 0.00 0.00 57.07 55.38 2qky s TYR 105 Cb -0.01 -0.86 0.03 0.00 -1.10 0.00 0.00 41.96 40.02 2qky s TYR 105 CO -0.05 0.00 -0.08 0.45 -2.51 0.00 0.00 175.55 173.36 2qky s SER 106 N -0.63 2.44 -0.15 -0.18 0.15 -1.06 -4.95 113.70 109.33 2qky s SER 106 Ca 0.05 -0.43 -0.18 0.00 0.70 0.00 0.00 55.95 56.09 2qky s SER 106 Cb -0.07 -0.92 -0.04 0.00 -1.71 0.00 0.00 66.02 63.29 2qky s SER 106 CO 0.00 -0.13 0.48 -0.63 1.20 0.00 0.00 173.24 174.17 2qky s ILE 107 N 1.65 5.17 0.34 6.45 1.01 -1.26 0.20 121.20 134.76 2qky s ILE 107 Ca 0.04 0.94 -0.27 0.00 0.00 0.00 0.00 60.65 61.36 2qky s ILE 107 Cb -0.13 -3.82 -0.13 0.00 0.01 0.00 0.00 42.46 38.39 2qky s ILE 107 CO -0.08 0.28 0.98 -1.54 0.00 0.00 0.00 174.94 174.58 2qky n SER 108 N 4.04 1.18 -0.30 3.58 3.41 0.03 -4.76 113.62 120.81 2qky n SER 108 Ca -0.06 1.12 -0.05 0.00 -0.26 0.00 0.00 58.87 59.61 2qky n SER 108 Cb 0.51 -1.30 -0.04 0.00 -0.26 0.00 0.00 64.21 63.13 2qky n SER 108 CO 0.00 0.00 0.00 -2.65 -0.16 0.00 0.00 175.04 172.23 2qky n PRO 109 N 0.55 -0.27 0.19 4.33 -0.02 -1.19 0.29 135.00 138.88 2qky n PRO 109 Ca 0.09 1.10 0.14 0.00 -2.02 0.00 0.00 63.50 62.82 2qky n PRO 109 Cb 0.35 -1.63 0.52 0.00 -0.02 0.00 0.00 33.50 32.71 2qky n PRO 109 CO 0.00 0.00 0.00 0.38 1.98 0.00 0.00 175.50 177.86 2qky h ASP 110 N 0.00 0.00 0.00 2.55 -0.00 -1.76 -3.46 116.42 113.75 2qky h ASP 110 Ca 0.17 0.00 0.00 0.00 -0.00 0.00 0.00 57.03 57.20 2qky h ASP 110 Cb 0.35 0.00 0.00 0.00 -0.00 0.00 0.00 39.33 39.68 2qky h ASP 110 CO -0.70 0.00 0.00 0.61 -0.00 0.00 0.00 179.24 179.15 2qky n GLY 111 N 0.30 1.15 0.00 7.15 0.00 0.85 -4.90 105.19 109.74 2qky n GLY 111 Ca 0.02 0.00 0.05 0.00 0.00 0.00 0.00 46.02 46.10 2qky n GLY 111 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 2qky n GLN 112 N -2.00 0.31 -3.73 1.61 6.02 -1.26 -4.72 117.38 113.60 2qky n GLN 112 Ca 0.00 0.04 -0.10 0.00 -0.01 0.00 0.00 57.00 56.93 2qky n GLN 112 Cb 0.00 -1.50 -0.04 0.00 1.02 0.00 0.00 30.24 29.72 2qky n GLN 112 CO 0.00 0.00 0.00 -0.06 -1.01 0.00 0.00 177.06 175.99 2qky s PHE 113 N -2.12 -0.11 -0.16 1.08 0.08 -1.26 -2.73 117.98 112.77 2qky s PHE 113 Ca 0.15 -0.23 -0.04 0.00 0.12 0.00 0.00 56.93 56.93 2qky s PHE 113 Cb 0.08 0.36 0.07 0.00 -0.57 0.00 0.00 43.02 42.96 2qky s PHE 113 CO 0.13 -0.89 0.16 -1.50 -0.10 0.00 0.00 175.22 173.02 2qky s ILE 114 N -3.87 -0.23 0.41 0.64 2.07 -1.02 -0.79 121.20 118.41 2qky s ILE 114 Ca 0.09 -0.00 -0.26 0.00 -1.41 0.00 0.00 60.65 59.07 2qky s ILE 114 Cb -0.01 -0.54 -0.09 0.00 0.13 0.00 0.00 42.46 41.96 2qky s ILE 114 CO -0.04 -0.14 1.28 -0.22 -1.91 0.00 0.00 174.94 173.92 2qky s LEU 115 N 2.25 4.21 -0.18 8.50 2.96 0.54 -3.08 118.68 133.88 2qky s LEU 115 Ca 0.04 2.60 0.01 0.00 -0.22 0.00 0.00 54.13 56.56 2qky s LEU 115 Cb -0.15 -3.93 0.03 0.00 0.50 0.00 0.00 46.19 42.65 2qky s LEU 115 CO -0.09 -0.83 -0.13 -0.76 -1.32 0.00 0.00 176.35 173.22 2qky s LEU 116 N -2.45 2.10 -0.22 -0.68 1.43 0.36 -2.55 118.68 116.67 2qky s LEU 116 Ca 0.57 -0.74 -0.10 0.00 -1.03 0.00 0.00 54.13 52.83 2qky s LEU 116 Cb -0.37 -1.25 -0.05 0.00 0.03 0.00 0.00 46.19 44.56 2qky s LEU 116 CO 0.47 -0.10 0.13 -0.70 0.23 0.00 0.00 176.35 176.38 2qky s GLU 117 N 1.41 4.07 0.34 1.70 2.12 0.02 -1.79 118.70 126.56 2qky s GLU 117 Ca 0.01 -0.28 -0.01 0.00 0.36 0.00 0.00 54.97 55.06 2qky s GLU 117 Cb -0.15 -3.45 -0.00 0.00 0.26 0.00 0.00 34.13 30.79 2qky s GLU 117 CO -0.09 0.15 0.44 1.52 -0.54 0.00 0.00 175.26 176.73 2qky s TYR 118 N 0.79 1.16 -1.33 5.30 1.13 0.04 -0.16 117.35 124.28 2qky s TYR 118 Ca 0.07 -1.34 -0.03 0.00 -1.41 0.00 0.00 57.07 54.36 2qky s TYR 118 Cb -0.13 -0.18 -0.00 0.00 -1.10 0.00 0.00 41.96 40.55 2qky s TYR 118 CO 0.02 -1.09 0.58 0.09 -2.51 0.00 0.00 175.55 172.65 2qky n ASN 119 N -1.39 -1.40 -4.74 -0.18 3.02 -1.26 -0.64 115.26 108.67 2qky n ASN 119 Ca 0.02 -0.93 -0.41 0.00 -0.03 0.00 0.00 54.58 53.23 2qky n ASN 119 Cb 0.62 -3.51 -0.04 0.00 -0.61 0.00 0.00 39.78 36.23 2qky n ASN 119 CO 0.00 0.00 0.00 -0.47 -2.62 0.00 0.00 177.26 174.17 2qky s TYR 120 N -3.77 3.68 -0.28 3.10 5.04 -1.26 -4.02 117.35 119.83 2qky s TYR 120 Ca 0.07 1.68 -0.03 0.00 -2.44 0.00 0.00 57.07 56.36 2qky s TYR 120 Cb -0.02 -3.20 0.11 0.00 0.35 0.00 0.00 41.96 39.20 2qky s TYR 120 CO 0.85 -0.33 0.20 0.08 -1.34 0.00 0.00 175.55 175.01 2qky s VAL 121 N -0.42 -0.21 0.43 3.14 1.01 -0.53 -5.00 120.40 118.81 2qky s VAL 121 Ca 0.47 -0.61 -0.24 0.00 0.00 0.00 0.00 61.98 61.61 2qky s VAL 121 Cb -0.28 -0.96 -0.11 0.00 0.00 0.00 0.00 36.38 35.03 2qky s VAL 121 CO 0.34 -0.59 0.94 1.17 0.00 0.00 0.00 175.10 176.96 2qky n LYS 122 N 5.28 1.20 0.00 2.72 4.81 -1.26 -2.32 118.16 128.58 2qky n LYS 122 Ca -0.04 0.43 0.00 0.00 -0.87 0.00 0.00 58.31 57.83 2qky n LYS 122 Cb 0.44 -1.96 0.00 0.00 0.02 0.00 0.00 35.03 33.53 2qky n LYS 122 CO 0.00 0.00 0.00 0.94 1.17 0.00 0.00 177.40 179.51 2qky n GLN 123 N 0.16 0.00 0.00 1.64 7.27 -0.65 -4.88 117.38 120.92 2qky n GLN 123 Ca 0.10 0.00 0.00 0.00 0.07 0.00 0.00 57.00 57.17 2qky n GLN 123 Cb 0.39 0.00 0.00 0.00 2.41 0.00 0.00 30.24 33.04 2qky n GLN 123 CO 0.00 0.00 0.00 0.91 0.07 0.00 0.00 177.06 178.04 2qky n TRP 124 N 0.00 0.00 0.08 3.69 5.03 -1.25 -4.94 117.44 120.05 2qky n TRP 124 Ca 0.00 0.00 -0.14 0.00 3.03 0.00 0.00 57.50 60.39 2qky n TRP 124 Cb 0.00 0.00 -0.14 0.00 -1.03 0.00 0.00 31.31 30.14 2qky n TRP 124 CO 0.00 0.00 0.00 -0.09 -0.03 0.00 0.00 177.69 177.57 2qky h ARG 125 N 0.00 0.21 0.00 -0.99 2.43 -1.98 -3.40 114.38 110.64 2qky h ARG 125 Ca 0.00 -0.36 0.00 0.00 -0.81 0.00 0.00 59.98 58.81 2qky h ARG 125 Cb 0.00 0.13 0.00 0.00 -0.42 0.00 0.00 29.97 29.68 2qky h ARG 125 CO 0.00 1.14 -0.14 0.72 -1.51 0.00 0.00 179.97 180.17 2qky n HIS 126 N -3.47 0.00 -2.80 2.20 8.25 -1.26 -5.07 115.22 113.08 2qky n HIS 126 Ca -0.09 0.00 -0.20 0.00 -0.26 0.00 0.00 57.72 57.17 2qky n HIS 126 Cb 1.01 0.00 0.03 0.00 1.12 0.00 0.00 29.99 32.15 2qky n HIS 126 CO 0.00 0.00 0.00 -1.54 0.64 0.00 0.00 176.34 175.44 2qky s SER 127 N -0.86 5.46 0.00 0.41 1.04 -1.26 -4.18 113.70 114.30 2qky s SER 127 Ca 0.00 -0.05 0.00 0.00 0.48 0.00 0.00 55.95 56.38 2qky s SER 127 Cb 0.00 -0.94 0.00 0.00 0.10 0.00 0.00 66.02 65.18 2qky s SER 127 CO 0.00 -0.98 0.00 0.00 0.98 0.00 0.00 173.24 173.24 2qky n TYR 128 N -2.18 0.00 -4.94 5.02 0.18 -1.26 -1.64 117.16 112.33 2qky n TYR 128 Ca 0.07 0.00 -0.30 0.00 1.88 0.00 0.00 57.90 59.54 2qky n TYR 128 Cb 0.59 0.00 -0.15 0.00 -0.38 0.00 0.00 39.34 39.41 2qky n TYR 128 CO 0.00 0.00 0.00 0.95 -2.08 0.00 0.00 176.86 175.73 2qky s THR 129 N -2.00 2.26 0.26 -3.48 -4.23 -0.98 -4.60 115.64 102.87 2qky s THR 129 Ca 0.00 -1.28 -0.13 0.00 -1.18 0.00 0.00 61.69 59.09 2qky s THR 129 Cb 0.00 -1.88 -0.00 0.00 1.34 0.00 0.00 72.50 71.96 2qky s THR 129 CO 0.00 0.41 0.51 0.00 -0.54 0.00 0.00 174.62 175.00 2qky s ALA 130 N -0.79 -0.32 -0.00 3.99 0.00 -1.05 -1.45 121.76 122.14 2qky s ALA 130 Ca 0.12 -0.84 0.03 0.00 0.00 0.00 0.00 51.96 51.27 2qky s ALA 130 Cb -0.10 1.05 -0.03 0.00 0.00 0.00 0.00 23.12 24.03 2qky s ALA 130 CO 0.02 -0.87 -0.06 -1.12 0.00 0.00 0.00 175.76 173.73 2qky s SER 131 N -3.02 4.69 0.42 0.00 0.01 0.18 -1.03 113.70 114.96 2qky s SER 131 Ca 0.21 -0.12 0.04 0.00 1.31 0.00 0.00 55.95 57.39 2qky s SER 131 Cb -0.01 -1.12 -0.04 0.00 0.21 0.00 0.00 66.02 65.06 2qky s SER 131 CO 0.09 0.29 0.06 -0.31 0.41 0.00 0.00 173.24 173.78 2qky s TYR 132 N -0.99 1.97 -0.28 2.43 1.51 -1.25 -0.78 117.35 119.96 2qky s TYR 132 Ca 0.17 -1.01 -0.23 0.00 -1.01 0.00 0.00 57.07 54.99 2qky s TYR 132 Cb -0.11 -1.42 0.09 0.00 -0.11 0.00 0.00 41.96 40.41 2qky s TYR 132 CO 0.07 0.05 0.82 -0.51 -1.11 0.00 0.00 175.55 174.87 2qky s ASP 133 N -3.68 -0.68 -0.19 2.29 1.01 -0.74 -4.67 116.67 110.01 2qky s ASP 133 Ca 0.23 1.26 -0.04 0.00 0.71 0.00 0.00 52.55 54.71 2qky s ASP 133 Cb 0.05 1.28 -0.02 0.00 1.01 0.00 0.00 42.92 45.24 2qky s ASP 133 CO 0.12 -0.21 -0.03 -0.63 0.21 0.00 0.00 175.17 174.62 2qky s ILE 134 N 0.60 3.66 -0.27 0.77 1.01 -1.26 -0.48 121.20 125.22 2qky s ILE 134 Ca -0.01 -0.42 -0.08 0.00 0.00 0.00 0.00 60.65 60.14 2qky s ILE 134 Cb -0.05 -2.64 -0.02 0.00 0.01 0.00 0.00 42.46 39.76 2qky s ILE 134 CO -0.05 0.44 0.09 -0.47 0.00 0.00 0.00 174.94 174.95 2qky s TYR 135 N 1.01 3.11 -0.50 3.97 5.04 -1.18 -0.33 117.35 128.46 2qky s TYR 135 Ca 0.01 -0.51 -0.28 0.00 -2.44 0.00 0.00 57.07 53.85 2qky s TYR 135 Cb -0.15 -2.26 -0.01 0.00 0.35 0.00 0.00 41.96 39.90 2qky s TYR 135 CO 0.01 -0.40 1.65 0.34 -1.34 0.00 0.00 175.55 175.80 2qky s ASP 136 N 1.60 5.83 0.00 4.32 -1.08 0.29 -2.44 116.67 125.20 2qky s ASP 136 Ca 0.06 0.62 0.06 0.00 -0.52 0.00 0.00 52.55 52.76 2qky s ASP 136 Cb -0.16 -2.54 0.35 0.00 -1.46 0.00 0.00 42.92 39.12 2qky s ASP 136 CO 0.04 -1.88 0.78 0.18 0.52 0.00 0.00 175.17 174.81 2qky n LEU 137 N 10.62 0.00 0.00 -1.34 4.77 -1.10 -2.00 117.00 127.95 2qky n LEU 137 Ca 0.18 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 56.16 2qky n LEU 137 Cb 0.49 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.58 2qky n LEU 137 CO 0.70 0.00 0.00 0.59 -1.33 0.00 0.00 177.39 177.35 2qky n ASN 138 N -0.93 0.00 -0.23 -1.43 3.02 -1.26 -4.56 115.26 109.87 2qky n ASN 138 Ca 0.04 0.00 0.00 0.00 -0.03 0.00 0.00 54.58 54.59 2qky n ASN 138 Cb 0.02 0.00 0.00 0.00 -0.61 0.00 0.00 39.78 39.19 2qky n ASN 138 CO 0.00 0.00 0.00 2.29 -2.62 0.00 0.00 177.26 176.93 2qky n LYS 139 N -0.56 0.06 -4.03 3.52 2.85 -1.25 -4.76 118.16 114.01 2qky n LYS 139 Ca 0.00 0.00 -0.27 0.00 -1.05 0.00 0.00 58.31 56.99 2qky n LYS 139 Cb 0.00 -1.01 -0.07 0.00 -0.65 0.00 0.00 35.03 33.29 2qky n LYS 139 CO 0.00 0.00 0.00 0.54 -0.05 0.00 0.00 177.40 177.89 2qky n ARG 140 N -0.05 -0.89 -4.64 -1.58 5.12 -0.85 -4.92 116.66 108.85 2qky n ARG 140 Ca 0.00 0.06 -0.24 0.00 -1.93 0.00 0.00 57.85 55.74 2qky n ARG 140 Cb 0.01 -2.90 -0.16 0.00 -1.16 0.00 0.00 32.46 28.25 2qky n ARG 140 CO 0.00 0.00 0.00 1.14 -1.93 0.00 0.00 177.63 176.84 2qky s GLN 141 N -6.73 1.58 -1.11 5.56 -2.07 -1.11 -4.96 119.66 110.82 2qky s GLN 141 Ca 0.04 -0.46 -0.21 0.00 -1.82 0.00 0.00 55.36 52.91 2qky s GLN 141 Cb -0.02 -1.36 0.06 0.00 -1.09 0.00 0.00 33.01 30.61 2qky s GLN 141 CO 0.84 0.12 1.52 -1.17 -1.32 0.00 0.00 175.29 175.29 2qky s LEU 142 N 0.33 3.72 0.13 2.60 2.96 -1.26 -0.54 118.68 126.62 2qky s LEU 142 Ca -0.08 -1.83 -0.11 0.00 -0.22 0.00 0.00 54.13 51.89 2qky s LEU 142 Cb -0.13 -2.56 -0.07 0.00 0.50 0.00 0.00 46.19 43.93 2qky s LEU 142 CO 0.03 -1.36 0.13 -0.38 -1.32 0.00 0.00 176.35 173.44 2qky n ILE 143 N 6.61 0.56 0.00 6.68 5.41 0.55 -4.89 119.36 134.28 2qky n ILE 143 Ca 0.38 -0.22 0.00 0.00 1.00 0.00 0.00 62.75 63.91 2qky n ILE 143 Cb 0.49 0.00 0.00 0.00 -0.71 0.00 0.00 39.64 39.42 2qky n ILE 143 CO 0.00 0.00 0.00 0.35 0.00 0.00 0.00 176.55 176.90 2qky n THR 144 N -0.23 0.00 -2.64 1.39 -2.24 -1.26 -4.65 114.28 104.65 2qky n THR 144 Ca 0.06 0.00 -0.43 0.00 -2.27 0.00 0.00 64.05 61.41 2qky n THR 144 Cb 0.14 -0.08 -0.02 0.00 -2.10 0.00 0.00 70.33 68.27 2qky n THR 144 CO 0.00 0.00 0.00 -1.61 -0.57 0.00 0.00 175.07 172.89 2qky s GLU 145 N -0.87 3.80 -0.12 -0.78 0.41 -1.26 -4.31 118.70 115.56 2qky s GLU 145 Ca 0.00 0.66 -0.05 0.00 -0.41 0.00 0.00 54.97 55.17 2qky s GLU 145 Cb 0.00 -3.86 0.02 0.00 -1.78 0.00 0.00 34.13 28.50 2qky s GLU 145 CO 0.00 -1.24 0.09 0.39 -0.49 0.00 0.00 175.26 174.02 2qky n GLU 146 N 7.51 -2.31 -4.60 1.61 -0.58 -1.26 -4.42 120.64 116.60 2qky n GLU 146 Ca 0.11 1.99 -0.27 0.00 -0.42 0.00 0.00 57.16 58.58 2qky n GLU 146 Cb 0.48 -3.26 -0.10 0.00 -0.57 0.00 0.00 31.44 27.99 2qky n GLU 146 CO 0.00 0.00 0.00 -0.98 -0.48 0.00 0.00 177.13 175.67 2qky s ARG 147 N -0.84 1.93 -0.30 3.49 1.70 -1.26 -4.58 118.95 119.08 2qky s ARG 147 Ca -0.11 -2.12 -0.29 0.00 -0.47 0.00 0.00 55.73 52.74 2qky s ARG 147 Cb 0.01 -1.34 -0.01 0.00 -0.57 0.00 0.00 34.95 33.04 2qky s ARG 147 CO 0.43 -0.18 1.47 0.42 -1.08 0.00 0.00 175.30 176.36 2qky s ILE 148 N -2.93 3.89 0.82 4.99 1.09 -1.26 -4.97 121.20 122.82 2qky s ILE 148 Ca 0.29 0.97 -0.16 0.00 -1.10 0.00 0.00 60.65 60.65 2qky s ILE 148 Cb 0.07 -3.98 -0.14 0.00 -1.06 0.00 0.00 42.46 37.36 2qky s ILE 148 CO 0.14 -0.48 -0.60 -0.81 -0.10 0.00 0.00 174.94 173.09 2qky n PRO 149 N 7.70 0.00 -2.78 2.79 -0.04 -1.26 -4.37 135.00 137.04 2qky n PRO 149 Ca 0.17 0.00 -0.34 0.00 -0.04 0.00 0.00 63.50 63.29 2qky n PRO 149 Cb 0.46 -0.92 -0.06 0.00 -0.04 0.00 0.00 33.50 32.94 2qky n PRO 149 CO 0.00 0.00 0.00 -0.80 -0.04 0.00 0.00 175.50 174.66 2qky s ASN 150 N -0.92 6.92 -0.30 3.54 0.01 -1.26 -3.91 114.94 119.01 2qky s ASN 150 Ca 0.40 1.74 -0.02 0.00 -0.71 0.00 0.00 52.86 54.28 2qky s ASN 150 Cb -0.23 -2.55 0.00 0.00 0.41 0.00 0.00 41.25 38.88 2qky s ASN 150 CO 0.73 -0.37 0.24 0.59 -1.51 0.00 0.00 177.10 176.78 2qky n ASN 151 N -0.51 -2.91 -4.67 -1.22 3.02 -1.22 -4.99 115.26 102.77 2qky n ASN 151 Ca 0.07 -0.11 -0.43 0.00 -0.03 0.00 0.00 54.58 54.08 2qky n ASN 151 Cb 0.53 -1.49 -0.02 0.00 -0.61 0.00 0.00 39.78 38.19 2qky n ASN 151 CO 0.00 0.00 0.00 -0.89 -2.62 0.00 0.00 177.26 173.75 2qky s THR 152 N -3.01 4.48 0.38 3.41 2.01 -0.19 -4.70 115.64 118.01 2qky s THR 152 Ca 0.12 1.79 0.17 0.00 0.31 0.00 0.00 61.69 64.08 2qky s THR 152 Cb -0.05 -4.15 0.16 0.00 0.01 0.00 0.00 72.50 68.46 2qky s THR 152 CO 0.15 -0.13 1.91 1.56 -0.69 0.00 0.00 174.62 177.42 2qky h GLN 153 N 7.72 0.00 -1.08 4.92 4.20 -1.39 -2.79 115.11 126.70 2qky h GLN 153 Ca -0.25 0.00 0.19 0.00 0.06 0.00 0.00 58.65 58.65 2qky h GLN 153 Cb 1.10 0.00 -0.33 0.00 0.30 0.00 0.00 27.48 28.55 2qky h GLN 153 CO 0.95 0.27 0.88 -0.46 -0.67 0.00 0.00 178.83 179.80 2qky s TRP 154 N -4.24 -0.06 0.03 2.96 -0.00 -1.18 -4.59 118.94 111.85 2qky s TRP 154 Ca -0.03 0.15 0.02 0.00 -0.00 0.00 0.00 56.10 56.24 2qky s TRP 154 Cb 0.14 0.48 -0.02 0.00 -0.00 0.00 0.00 33.47 34.08 2qky s TRP 154 CO 0.68 -0.03 -0.06 0.54 -0.00 0.00 0.00 176.95 178.08 2qky s VAL 155 N 0.02 0.46 -0.11 5.86 0.11 -1.26 -1.46 120.40 124.02 2qky s VAL 155 Ca 0.07 -0.78 -0.09 0.00 -2.93 0.00 0.00 61.98 58.26 2qky s VAL 155 Cb -0.05 -0.49 0.03 0.00 -1.53 0.00 0.00 36.38 34.34 2qky s VAL 155 CO -0.16 -0.23 0.28 0.28 -3.33 0.00 0.00 175.10 171.95 2qky s THR 156 N -0.96 -0.01 0.85 5.04 -1.32 0.18 -4.96 115.64 114.46 2qky s THR 156 Ca -0.06 0.04 -0.12 0.00 -1.21 0.00 0.00 61.69 60.34 2qky s THR 156 Cb -0.07 -0.40 0.10 0.00 -1.51 0.00 0.00 72.50 70.62 2qky s THR 156 CO 0.00 0.02 1.15 0.26 -2.21 0.00 0.00 174.62 173.84 2qky s TRP 157 N 0.49 2.75 1.04 9.09 0.52 -1.26 0.39 118.94 131.96 2qky s TRP 157 Ca -0.03 0.84 -0.17 0.00 0.02 0.00 0.00 56.10 56.76 2qky s TRP 157 Cb -0.04 -3.40 0.22 0.00 -1.15 0.00 0.00 33.47 29.09 2qky s TRP 157 CO -0.03 -2.03 1.23 -1.54 0.02 0.00 0.00 176.95 174.61 2qky s SER 158 N -4.27 2.42 0.14 2.95 1.04 0.14 -4.82 113.70 111.31 2qky s SER 158 Ca 0.63 0.45 0.27 0.00 0.48 0.00 0.00 55.95 57.78 2qky s SER 158 Cb -0.13 -0.61 0.94 0.00 0.10 0.00 0.00 66.02 66.32 2qky s SER 158 CO 0.51 -3.18 1.81 -0.81 0.98 0.00 0.00 173.24 172.56 2qky n PRO 159 N -4.10 0.17 -3.74 4.02 -0.04 -1.26 -4.71 135.00 125.35 2qky n PRO 159 Ca 0.14 0.16 -0.12 0.00 -0.04 0.00 0.00 63.50 63.64 2qky n PRO 159 Cb 0.59 -1.71 -0.11 0.00 -0.04 0.00 0.00 33.50 32.23 2qky n PRO 159 CO 0.00 0.00 0.00 0.08 -0.04 0.00 0.00 175.50 175.54 2qky s VAL 160 N -3.08 -0.02 0.00 0.52 1.01 -1.26 -4.84 120.40 112.73 2qky s VAL 160 Ca 0.11 0.06 0.00 0.00 0.00 0.00 0.00 61.98 62.15 2qky s VAL 160 Cb 0.14 -0.48 0.00 0.00 0.00 0.00 0.00 36.38 36.04 2qky s VAL 160 CO 0.56 0.02 0.00 0.61 0.00 0.00 0.00 175.10 176.29 2qky n GLY 161 N 3.55 0.83 0.89 4.51 0.00 -1.26 -4.55 105.19 109.15 2qky n GLY 161 Ca -0.18 -1.24 -0.00 0.00 0.00 0.00 0.00 46.02 44.60 2qky n GLY 161 CO 0.00 0.00 0.00 -2.39 0.00 0.00 0.00 173.32 170.93 2qky n HIS 162 N 2.84 0.00 -2.24 1.61 1.44 -1.26 -2.09 115.22 115.52 2qky n HIS 162 Ca 0.00 -0.24 -0.40 0.00 -2.01 0.00 0.00 57.72 55.07 2qky n HIS 162 Cb 0.00 0.07 -0.03 0.00 0.12 0.00 0.00 29.99 30.16 2qky n HIS 162 CO 0.00 0.00 0.00 0.15 -2.81 0.00 0.00 176.34 173.68 2qky s LYS 163 N 0.00 4.43 0.25 -1.40 1.02 -1.26 -4.73 119.74 118.05 2qky s LYS 163 Ca 0.10 2.06 0.07 0.00 0.02 0.00 0.00 55.97 58.22 2qky s LYS 163 Cb 0.12 -3.08 -0.04 0.00 -0.52 0.00 0.00 37.83 34.31 2qky s LYS 163 CO -0.05 -0.06 0.19 -0.51 -0.92 0.00 0.00 175.35 174.00 2qky s LEU 164 N -1.73 3.78 -0.13 3.17 1.43 -0.60 0.25 118.68 124.85 2qky s LEU 164 Ca 0.48 -0.28 -0.07 0.00 -1.03 0.00 0.00 54.13 53.24 2qky s LEU 164 Cb -0.37 -2.31 0.05 0.00 0.03 0.00 0.00 46.19 43.59 2qky s LEU 164 CO 0.48 -0.05 0.31 0.00 0.23 0.00 0.00 176.35 177.32 2qky s ALA 165 N -2.15 -0.75 -0.05 4.21 0.00 0.16 -2.46 121.76 120.73 2qky s ALA 165 Ca 0.33 1.21 -0.19 0.00 0.00 0.00 0.00 51.96 53.31 2qky s ALA 165 Cb -0.08 -0.77 0.04 0.00 0.00 0.00 0.00 23.12 22.31 2qky s ALA 165 CO 0.25 -0.24 0.43 1.52 0.00 0.00 0.00 175.76 177.71 2qky s TYR 166 N 1.37 -0.35 -0.14 0.00 1.13 0.64 0.49 117.35 120.48 2qky s TYR 166 Ca -0.09 0.64 -0.06 0.00 -1.41 0.00 0.00 57.07 56.15 2qky s TYR 166 Cb -0.10 0.19 -0.04 0.00 -1.10 0.00 0.00 41.96 40.91 2qky s TYR 166 CO -0.10 -0.42 0.07 0.08 -2.51 0.00 0.00 175.55 172.67 2qky s VAL 167 N -1.02 4.89 -0.26 -3.49 1.01 -0.53 0.11 120.40 121.11 2qky s VAL 167 Ca -0.11 -0.01 -0.06 0.00 0.00 0.00 0.00 61.98 61.80 2qky s VAL 167 Cb -0.04 -3.15 0.13 0.00 0.00 0.00 0.00 36.38 33.32 2qky s VAL 167 CO 0.05 0.54 0.54 0.86 0.00 0.00 0.00 175.10 177.09 2qky s TRP 168 N -0.31 -1.18 -0.68 5.22 -0.00 -0.73 -1.14 118.94 120.11 2qky s TRP 168 Ca 0.09 1.80 -0.00 0.00 -0.00 0.00 0.00 56.10 57.99 2qky s TRP 168 Cb -0.12 0.52 0.00 0.00 -0.00 0.00 0.00 33.47 33.87 2qky s TRP 168 CO 0.02 -0.66 0.04 0.09 -0.00 0.00 0.00 176.95 176.44 2qky n ASN 169 N 5.42 -3.00 0.00 5.86 5.03 -1.26 -2.99 115.26 124.31 2qky n ASN 169 Ca -0.08 -0.03 0.00 0.00 0.87 0.00 0.00 54.58 55.35 2qky n ASN 169 Cb 0.50 -2.23 0.00 0.00 -1.02 0.00 0.00 39.78 37.02 2qky n ASN 169 CO 0.00 0.00 0.00 0.59 -1.83 0.00 0.00 177.26 176.02 2qky n ASN 170 N 0.37 -3.56 -4.48 6.41 5.03 -1.26 -3.92 115.26 113.86 2qky n ASN 170 Ca -0.09 0.00 -0.33 0.00 0.87 0.00 0.00 54.58 55.03 2qky n ASN 170 Cb 0.57 -1.82 -0.13 0.00 -1.02 0.00 0.00 39.78 37.38 2qky n ASN 170 CO 0.00 0.00 0.00 -1.81 -1.83 0.00 0.00 177.26 173.62 2qky s ASP 171 N -2.10 4.17 0.10 6.41 -0.00 -1.16 -2.90 116.67 121.19 2qky s ASP 171 Ca 0.00 -0.18 -0.30 0.00 -0.00 0.00 0.00 52.55 52.07 2qky s ASP 171 Cb 0.00 -1.05 -0.06 0.00 -0.00 0.00 0.00 42.92 41.81 2qky s ASP 171 CO 0.00 0.32 1.09 -0.63 -0.00 0.00 0.00 175.17 175.95 2qky s ILE 172 N -0.55 4.19 -0.00 0.77 1.01 -1.26 -1.78 121.20 123.58 2qky s ILE 172 Ca 0.08 1.71 0.05 0.00 0.00 0.00 0.00 60.65 62.49 2qky s ILE 172 Cb -0.12 -4.10 -0.02 0.00 0.01 0.00 0.00 42.46 38.24 2qky s ILE 172 CO 0.02 0.21 -0.17 -0.31 0.00 0.00 0.00 174.94 174.69 2qky s TYR 173 N 0.42 1.50 0.06 3.97 1.51 0.31 -0.89 117.35 124.22 2qky s TYR 173 Ca 0.52 -0.30 0.09 0.00 -1.01 0.00 0.00 57.07 56.37 2qky s TYR 173 Cb -0.27 -0.95 -0.03 0.00 -0.11 0.00 0.00 41.96 40.60 2qky s TYR 173 CO 0.31 -0.00 -0.25 0.08 -1.11 0.00 0.00 175.55 174.58 2qky s VAL 174 N -0.49 2.00 -0.19 0.71 1.01 -0.80 -0.26 120.40 122.37 2qky s VAL 174 Ca 0.06 -1.40 -0.02 0.00 0.00 0.00 0.00 61.98 60.62 2qky s VAL 174 Cb -0.07 -1.73 0.06 0.00 0.00 0.00 0.00 36.38 34.64 2qky s VAL 174 CO -0.00 0.26 0.03 -0.54 0.00 0.00 0.00 175.10 174.84 2qky s LYS 175 N -1.37 0.73 0.23 2.72 1.02 -1.03 -0.99 119.74 121.05 2qky s LYS 175 Ca 0.11 -0.45 0.02 0.00 0.02 0.00 0.00 55.97 55.67 2qky s LYS 175 Cb -0.10 -2.11 0.24 0.00 -0.52 0.00 0.00 37.83 35.35 2qky s LYS 175 CO 0.03 -0.62 1.57 0.82 -0.92 0.00 0.00 175.35 176.23 2qky h ILE 176 N 6.52 1.34 -3.94 2.17 1.08 -1.85 -1.60 117.51 121.23 2qky h ILE 176 Ca -0.16 -1.79 -0.59 0.00 -0.39 0.00 0.00 64.86 61.92 2qky h ILE 176 Cb 1.12 1.82 -0.31 0.00 -3.07 0.00 0.00 36.82 36.37 2qky h ILE 176 CO 0.34 0.54 -0.85 -1.61 -0.69 0.00 0.00 178.15 175.88 2qky s GLU 177 N -3.96 1.95 0.56 2.37 0.41 -1.26 -4.49 118.70 114.28 2qky s GLU 177 Ca -0.05 -0.68 0.35 0.00 -0.41 0.00 0.00 54.97 54.18 2qky s GLU 177 Cb 0.12 -1.69 1.49 0.00 -1.78 0.00 0.00 34.13 32.27 2qky s GLU 177 CO 0.81 0.28 1.75 -1.35 -0.49 0.00 0.00 175.26 176.26 2qky h PRO 178 N 6.19 0.00 0.00 0.39 0.11 -1.85 -1.64 132.00 135.20 2qky h PRO 178 Ca -0.33 0.00 -0.30 0.00 0.11 0.00 0.00 66.00 65.49 2qky h PRO 178 Cb 1.17 0.00 -0.06 0.00 0.11 0.00 0.00 31.00 32.23 2qky h PRO 178 CO 0.48 0.00 -2.24 0.27 -0.21 0.00 0.00 178.00 176.29 2qky n ASN 179 N -3.97 0.36 -4.78 -2.05 6.94 -1.26 -4.79 115.26 105.70 2qky n ASN 179 Ca 0.23 0.00 -0.35 0.00 -0.02 0.00 0.00 54.58 54.44 2qky n ASN 179 Cb 1.22 1.09 -0.01 0.00 -2.36 0.00 0.00 39.78 39.72 2qky n ASN 179 CO 0.00 0.00 0.00 -0.76 -1.03 0.00 0.00 177.26 175.47 2qky s LEU 180 N -5.25 3.87 0.00 -4.53 1.43 -0.62 -4.12 118.68 109.45 2qky s LEU 180 Ca -0.09 2.15 -0.10 0.00 -1.03 0.00 0.00 54.13 55.06 2qky s LEU 180 Cb 0.07 -4.46 0.16 0.00 0.03 0.00 0.00 46.19 41.98 2qky s LEU 180 CO 0.78 -1.00 0.35 -0.81 0.23 0.00 0.00 176.35 175.90 2qky n PRO 181 N -0.92 -1.33 -4.28 1.29 -0.04 -1.26 -4.73 135.00 123.72 2qky n PRO 181 Ca 0.10 -0.59 -0.20 0.00 -0.04 0.00 0.00 63.50 62.77 2qky n PRO 181 Cb 0.50 -1.11 -0.16 0.00 -0.04 0.00 0.00 33.50 32.70 2qky n PRO 181 CO 0.00 0.00 0.00 -1.54 -0.04 0.00 0.00 175.50 173.92 2qky s SER 182 N -1.98 1.03 -0.38 3.54 1.04 -1.26 -4.66 113.70 111.04 2qky s SER 182 Ca 0.27 -0.15 -0.28 0.00 0.48 0.00 0.00 55.95 56.26 2qky s SER 182 Cb -0.05 -0.35 -0.01 0.00 0.10 0.00 0.00 66.02 65.71 2qky s SER 182 CO 0.23 0.02 1.73 -0.31 0.98 0.00 0.00 173.24 175.89 2qky s TYR 183 N 0.42 1.90 -0.35 5.02 2.02 -0.16 -4.77 117.35 121.42 2qky s TYR 183 Ca -0.06 0.65 -0.29 0.00 -0.37 0.00 0.00 57.07 57.00 2qky s TYR 183 Cb -0.10 -4.16 -0.01 0.00 -0.40 0.00 0.00 41.96 37.29 2qky s TYR 183 CO 0.00 -2.70 1.61 0.50 -1.57 0.00 0.00 175.55 173.40 2qky s ARG 184 N 5.68 3.49 0.17 -0.62 3.52 -1.26 -1.91 118.95 128.01 2qky s ARG 184 Ca 0.75 1.25 0.01 0.00 -0.13 0.00 0.00 55.73 57.61 2qky s ARG 184 Cb -0.20 -4.10 0.01 0.00 -1.56 0.00 0.00 34.95 29.10 2qky s ARG 184 CO 0.32 -1.66 1.39 0.82 -0.81 0.00 0.00 175.30 175.35 2qky h ILE 185 N 6.59 1.45 -3.72 4.11 1.08 -1.38 -3.43 117.51 122.21 2qky h ILE 185 Ca -0.31 -2.45 -0.39 0.00 -0.39 0.00 0.00 64.86 61.32 2qky h ILE 185 Cb 1.14 2.36 -0.19 0.00 -3.07 0.00 0.00 36.82 37.06 2qky h ILE 185 CO 1.05 0.72 -0.76 0.42 -0.69 0.00 0.00 178.15 178.89 2qky s THR 186 N -3.33 1.16 -0.01 -0.27 -4.23 -1.23 -4.77 115.64 102.96 2qky s THR 186 Ca -0.04 -1.58 0.01 0.00 -1.18 0.00 0.00 61.69 58.90 2qky s THR 186 Cb 0.10 -1.35 0.02 0.00 1.34 0.00 0.00 72.50 72.60 2qky s THR 186 CO 0.83 -0.40 0.79 0.79 -0.54 0.00 0.00 174.62 176.09 2qky n TRP 187 N 0.75 0.00 1.05 3.99 7.02 -1.26 -4.58 117.44 124.41 2qky n TRP 187 Ca -0.17 -0.28 0.12 0.00 -1.02 0.00 0.00 57.50 56.14 2qky n TRP 187 Cb 0.56 -0.03 0.23 0.00 -2.42 0.00 0.00 31.31 29.65 2qky n TRP 187 CO 0.00 0.00 0.00 0.25 -2.02 0.00 0.00 177.69 175.92 2qky n THR 188 N -0.31 0.00 -1.54 -0.99 -2.24 -1.26 -4.96 114.28 102.98 2qky n THR 188 Ca 0.01 -0.04 -0.52 0.00 -2.27 0.00 0.00 64.05 61.23 2qky n THR 188 Cb 0.40 0.40 -0.05 0.00 -2.10 0.00 0.00 70.33 68.98 2qky n THR 188 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2qky n GLY 189 N 1.46 -0.14 3.08 3.38 0.00 -1.26 -4.71 105.19 107.00 2qky n GLY 189 Ca 0.07 0.61 0.04 0.00 0.00 0.00 0.00 46.02 46.74 2qky n GLY 189 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 2qky s LYS 190 N -0.14 0.39 -0.05 1.61 2.20 -1.25 -4.91 119.74 117.58 2qky s LYS 190 Ca 0.80 0.14 -0.10 0.00 -0.36 0.00 0.00 55.97 56.45 2qky s LYS 190 Cb -1.00 0.11 -0.04 0.00 -1.51 0.00 0.00 37.83 35.39 2qky s LYS 190 CO 0.53 -0.65 0.29 -1.91 -0.36 0.00 0.00 175.35 173.25 2qky n GLU 191 N 4.78 0.00 -1.10 4.03 2.13 -1.26 -1.49 120.64 127.73 2qky n GLU 191 Ca 0.08 0.00 -0.04 0.00 0.66 0.00 0.00 57.16 57.86 2qky n GLU 191 Cb 0.58 -0.33 -0.02 0.00 0.27 0.00 0.00 31.44 31.94 2qky n GLU 191 CO 0.00 0.00 0.00 -0.25 -0.41 0.00 0.00 177.13 176.47 2qky n ASP 192 N 0.59 -4.81 0.10 4.31 8.00 -1.26 -4.73 116.55 118.74 2qky n ASP 192 Ca 0.06 0.09 0.00 0.00 0.71 0.00 0.00 54.79 55.64 2qky n ASP 192 Cb 0.00 -2.63 0.00 0.00 -0.02 0.00 0.00 41.12 38.47 2qky n ASP 192 CO 0.00 0.00 0.00 -0.38 -0.39 0.00 0.00 177.20 176.43 2qky n ILE 193 N -2.43 0.23 -4.77 0.53 2.08 -0.55 -4.68 119.36 109.76 2qky n ILE 193 Ca -0.04 0.08 -0.33 0.00 0.56 0.00 0.00 62.75 63.02 2qky n ILE 193 Cb 0.35 -0.76 -0.12 0.00 -0.75 0.00 0.00 39.64 38.35 2qky n ILE 193 CO 0.00 0.00 0.00 -0.63 0.56 0.00 0.00 176.55 176.48 2qky s ILE 194 N -2.00 3.34 -0.19 1.39 -1.09 -0.97 0.01 121.20 121.69 2qky s ILE 194 Ca 0.00 -0.61 -0.03 0.00 -2.23 0.00 0.00 60.65 57.78 2qky s ILE 194 Cb 0.00 -2.34 0.06 0.00 -1.58 0.00 0.00 42.46 38.60 2qky s ILE 194 CO 0.00 0.59 0.03 -0.31 -1.23 0.00 0.00 174.94 174.02 2qky s TYR 195 N -0.73 1.10 -0.26 3.97 1.51 0.16 -3.92 117.35 119.17 2qky s TYR 195 Ca 0.11 -0.90 -0.06 0.00 -1.01 0.00 0.00 57.07 55.22 2qky s TYR 195 Cb -0.11 -1.06 -0.00 0.00 -0.11 0.00 0.00 41.96 40.68 2qky s TYR 195 CO 0.01 -0.61 0.03 -0.80 -1.11 0.00 0.00 175.55 173.07 2qky s ASN 196 N 1.83 4.84 0.00 2.29 0.01 -1.14 -0.54 114.94 122.23 2qky s ASN 196 Ca -0.01 -0.53 0.00 0.00 -0.71 0.00 0.00 52.86 51.61 2qky s ASN 196 Cb -0.17 -1.83 0.00 0.00 0.41 0.00 0.00 41.25 39.65 2qky s ASN 196 CO -0.08 -0.11 0.00 0.61 -1.51 0.00 0.00 177.10 176.02 2qky n GLY 197 N 4.84 0.86 3.07 0.66 0.00 -0.68 -4.35 105.19 109.58 2qky n GLY 197 Ca -0.16 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 45.74 2qky n GLY 197 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 2qky s ILE 198 N -3.38 0.04 0.76 -0.61 -4.36 -1.26 -1.31 121.20 111.08 2qky s ILE 198 Ca 0.00 -0.31 -0.12 0.00 -0.26 0.00 0.00 60.65 59.95 2qky s ILE 198 Cb 0.00 -0.32 0.17 0.00 1.25 0.00 0.00 42.46 43.56 2qky s ILE 198 CO 0.00 -0.17 1.04 0.35 0.24 0.00 0.00 174.94 176.40 2qky n THR 199 N 2.30 0.00 -3.05 8.37 -2.24 0.15 -4.75 114.28 115.06 2qky n THR 199 Ca -0.17 -0.81 0.00 0.00 -2.27 0.00 0.00 64.05 60.80 2qky n THR 199 Cb 0.57 -1.57 0.00 0.00 -2.10 0.00 0.00 70.33 67.23 2qky n THR 199 CO 0.00 0.00 0.00 -0.90 -0.57 0.00 0.00 175.07 173.60 2qky n ASP 200 N -3.63 0.89 0.01 3.42 5.75 -1.26 -4.86 116.55 116.86 2qky n ASP 200 Ca 0.13 -0.60 -0.11 0.00 -0.01 0.00 0.00 54.79 54.20 2qky n ASP 200 Cb 0.46 0.00 -0.05 0.00 -1.03 0.00 0.00 41.12 40.50 2qky n ASP 200 CO 0.00 0.00 0.00 -0.25 -0.11 0.00 0.00 177.20 176.84 2qky h TRP 201 N 0.27 0.02 -0.16 2.11 7.01 -2.00 -2.08 115.95 121.12 2qky h TRP 201 Ca 0.00 0.00 -0.03 0.00 2.11 0.00 0.00 58.89 60.97 2qky h TRP 201 Cb 0.00 0.00 -0.01 0.00 -2.10 0.00 0.00 29.16 27.06 2qky h TRP 201 CO 0.00 0.00 -0.02 -0.24 -2.79 0.00 0.00 178.44 175.39 2qky h VAL 202 N 0.04 1.28 -0.26 2.65 3.04 -1.96 -2.84 116.25 118.19 2qky h VAL 202 Ca 0.03 -0.94 -0.09 0.00 -1.01 0.00 0.00 66.70 64.69 2qky h VAL 202 Cb 0.03 1.59 -0.01 0.00 -2.01 0.00 0.00 31.29 30.89 2qky h VAL 202 CO -0.05 0.28 -0.21 1.88 -1.01 0.00 0.00 177.57 178.45 2qky h TYR 203 N 0.00 0.54 -0.19 3.17 -1.99 -1.94 -1.80 116.97 114.77 2qky h TYR 203 Ca 0.04 -0.10 -0.08 0.00 2.00 0.00 0.00 58.73 60.58 2qky h TYR 203 Cb 0.44 -0.14 -0.01 0.00 2.00 0.00 0.00 36.73 39.02 2qky h TYR 203 CO 0.05 0.67 -0.24 1.49 -0.00 0.00 0.00 178.16 180.12 2qky h GLU 204 N 0.44 0.35 0.00 4.88 4.81 -1.36 0.73 114.58 124.42 2qky h GLU 204 Ca 0.07 -0.12 0.00 0.00 -0.13 0.00 0.00 59.36 59.18 2qky h GLU 204 Cb 0.62 -0.03 0.00 0.00 0.63 0.00 0.00 28.75 29.97 2qky h GLU 204 CO 0.04 0.57 -0.11 1.49 -0.73 0.00 0.00 179.01 180.28 2qky h GLU 205 N 0.31 0.00 -0.04 1.92 4.57 -1.35 -2.38 114.58 117.61 2qky h GLU 205 Ca 0.05 0.00 0.00 0.00 -1.18 0.00 0.00 59.36 58.23 2qky h GLU 205 Cb 0.60 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 29.19 2qky h GLU 205 CO 0.04 0.00 0.00 0.39 -1.18 0.00 0.00 179.01 178.26 2qky n GLU 206 N -2.80 1.26 0.00 1.92 -0.58 -0.69 -3.98 120.64 115.77 2qky n GLU 206 Ca -0.02 -0.38 0.00 0.00 -0.42 0.00 0.00 57.16 56.34 2qky n GLU 206 Cb 0.06 -1.40 0.00 0.00 -0.57 0.00 0.00 31.44 29.53 2qky n GLU 206 CO 0.00 0.00 0.00 0.28 -0.48 0.00 0.00 177.13 176.93 2qky n VAL 207 N -0.46 0.00 -0.08 2.62 0.31 -0.68 -4.88 118.33 115.16 2qky n VAL 207 Ca 0.18 0.00 0.03 0.00 -0.01 0.00 0.00 64.34 64.54 2qky n VAL 207 Cb 0.18 -0.89 0.09 0.00 -0.91 0.00 0.00 33.84 32.31 2qky n VAL 207 CO 0.00 0.00 0.00 0.49 -1.32 0.00 0.00 176.83 176.00 2qky n PHE 208 N -2.65 0.26 -3.01 3.52 3.72 0.25 -4.97 117.46 114.57 2qky n PHE 208 Ca 0.00 -0.47 -0.17 0.00 -0.05 0.00 0.00 57.45 56.76 2qky n PHE 208 Cb 0.23 -0.03 -0.04 0.00 -0.94 0.00 0.00 39.48 38.70 2qky n PHE 208 CO 0.00 0.00 0.00 0.43 -0.05 0.00 0.00 176.76 177.14 2qky n SER 209 N 0.12 -0.33 -3.62 4.37 7.64 -0.93 -4.76 113.62 116.11 2qky n SER 209 Ca 0.07 -0.55 -0.06 0.00 1.01 0.00 0.00 58.87 59.33 2qky n SER 209 Cb 0.34 -0.70 -0.05 0.00 -1.01 0.00 0.00 64.21 62.79 2qky n SER 209 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 2qky s ALA 210 N -2.61 -2.05 0.17 -0.43 0.00 -0.99 -4.95 121.76 110.89 2qky s ALA 210 Ca 0.23 1.75 -0.06 0.00 0.00 0.00 0.00 51.96 53.87 2qky s ALA 210 Cb -0.13 -1.25 0.03 0.00 0.00 0.00 0.00 23.12 21.77 2qky s ALA 210 CO 0.45 -0.24 1.46 -0.92 0.00 0.00 0.00 175.76 176.50 2qky h TYR 211 N 2.64 0.84 -3.92 0.00 3.20 -1.85 -3.40 116.97 114.47 2qky h TYR 211 Ca -0.17 -0.30 -0.54 0.00 3.14 0.00 0.00 58.73 60.86 2qky h TYR 211 Cb 1.18 -0.16 0.19 0.00 1.54 0.00 0.00 36.73 39.48 2qky h TYR 211 CO 0.25 1.08 0.05 0.45 -1.64 0.00 0.00 178.16 178.34 2qky n SER 212 N -3.97 0.04 -2.71 -2.11 2.88 -1.26 0.31 113.62 106.79 2qky n SER 212 Ca -0.04 0.51 -0.07 0.00 -1.33 0.00 0.00 58.87 57.94 2qky n SER 212 Cb 0.62 -1.41 0.09 0.00 -0.75 0.00 0.00 64.21 62.77 2qky n SER 212 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 2qky n ALA 213 N -3.38 -1.14 -3.64 -1.46 0.00 -0.43 -4.27 120.51 106.20 2qky n ALA 213 Ca 0.12 -1.18 -0.05 0.00 0.00 0.00 0.00 53.44 52.33 2qky n ALA 213 Cb 0.51 -1.56 -0.06 0.00 0.00 0.00 0.00 19.45 18.34 2qky n ALA 213 CO 0.00 0.00 0.00 -0.48 0.00 0.00 0.00 177.50 177.02 2qky s LEU 214 N -2.13 -0.98 -0.24 0.00 2.34 -1.26 -1.60 118.68 114.81 2qky s LEU 214 Ca 0.21 1.49 0.02 0.00 0.06 0.00 0.00 54.13 55.91 2qky s LEU 214 Cb 0.30 2.32 0.05 0.00 -0.56 0.00 0.00 46.19 48.30 2qky s LEU 214 CO -0.09 -0.23 -0.12 0.26 -1.06 0.00 0.00 176.35 175.11 2qky s TRP 215 N 2.03 3.15 1.26 3.48 0.51 -0.32 -4.94 118.94 124.11 2qky s TRP 215 Ca -0.09 -2.11 -0.16 0.00 -2.12 0.00 0.00 56.10 51.62 2qky s TRP 215 Cb -0.07 -1.94 0.32 0.00 -0.81 0.00 0.00 33.47 30.97 2qky s TRP 215 CO -0.19 -0.85 0.94 0.91 -0.51 0.00 0.00 176.95 177.24 2qky n TRP 216 N 4.49 -1.98 -3.50 -1.98 7.02 -1.26 -2.15 117.44 118.08 2qky n TRP 216 Ca -0.16 -0.33 -0.19 0.00 -1.02 0.00 0.00 57.50 55.80 2qky n TRP 216 Cb 0.44 -1.60 -0.01 0.00 -2.42 0.00 0.00 31.31 27.73 2qky n TRP 216 CO 0.00 0.00 0.00 -1.54 -2.02 0.00 0.00 177.69 174.13 2qky s SER 217 N -2.51 6.00 0.29 -0.99 1.04 -0.25 -4.81 113.70 112.47 2qky s SER 217 Ca 0.68 -0.17 -0.05 0.00 0.48 0.00 0.00 55.95 56.89 2qky s SER 217 Cb -0.22 -1.27 0.54 0.00 0.10 0.00 0.00 66.02 65.16 2qky s SER 217 CO 0.64 -0.41 1.55 -2.65 0.98 0.00 0.00 173.24 173.35 2qky n PRO 218 N -1.62 -0.09 0.00 4.02 -0.02 -1.26 -1.22 135.00 134.81 2qky n PRO 218 Ca -0.01 1.53 0.10 0.00 -2.02 0.00 0.00 63.50 63.11 2qky n PRO 218 Cb 0.58 -2.33 -0.01 0.00 -0.02 0.00 0.00 33.50 31.72 2qky n PRO 218 CO 0.00 0.00 0.00 0.27 1.98 0.00 0.00 175.50 177.75 2qky n ASN 219 N -5.58 1.84 -0.32 2.55 0.23 -1.26 -4.31 115.26 108.41 2qky n ASN 219 Ca 0.18 -1.42 0.00 0.00 -0.53 0.00 0.00 54.58 52.81 2qky n ASN 219 Cb 0.57 0.53 0.00 0.00 -2.08 0.00 0.00 39.78 38.80 2qky n ASN 219 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 2qky n GLY 220 N 1.37 0.90 0.12 4.83 0.00 -0.36 -4.54 105.19 107.50 2qky n GLY 220 Ca 0.08 -0.36 -0.17 0.00 0.00 0.00 0.00 46.02 45.57 2qky n GLY 220 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 2qky n THR 221 N -1.25 1.42 -4.27 2.61 -1.04 -1.26 -4.78 114.28 105.71 2qky n THR 221 Ca 0.00 -0.55 -0.34 0.00 -2.04 0.00 0.00 64.05 61.12 2qky n THR 221 Cb 0.28 -1.36 -0.13 0.00 -1.82 0.00 0.00 70.33 67.30 2qky n THR 221 CO 0.00 0.00 0.00 -0.36 -0.64 0.00 0.00 175.07 174.07 2qky s PHE 222 N -2.49 3.00 -0.38 -1.42 0.08 -1.26 0.39 117.98 115.90 2qky s PHE 222 Ca -0.33 -0.45 -0.09 0.00 0.12 0.00 0.00 56.93 56.18 2qky s PHE 222 Cb 0.09 -2.01 0.05 0.00 -0.57 0.00 0.00 43.02 40.58 2qky s PHE 222 CO 0.58 -0.17 0.20 -1.17 -0.10 0.00 0.00 175.22 174.56 2qky s LEU 223 N 0.70 4.80 0.27 -0.37 2.96 -0.71 -1.09 118.68 125.24 2qky s LEU 223 Ca -0.02 -1.22 -0.05 0.00 -0.22 0.00 0.00 54.13 52.63 2qky s LEU 223 Cb -0.14 -1.98 -0.05 0.00 0.50 0.00 0.00 46.19 44.52 2qky s LEU 223 CO 0.02 -0.43 0.53 0.00 -1.32 0.00 0.00 176.35 175.15 2qky s ALA 224 N 1.47 3.65 -0.14 5.97 0.00 -0.92 -2.17 121.76 129.62 2qky s ALA 224 Ca 0.01 -0.58 -0.29 0.00 0.00 0.00 0.00 51.96 51.11 2qky s ALA 224 Cb -0.21 -2.27 0.08 0.00 0.00 0.00 0.00 23.12 20.73 2qky s ALA 224 CO 0.04 0.28 0.76 1.52 0.00 0.00 0.00 175.76 178.36 2qky s TYR 225 N -2.04 -0.64 0.32 0.00 1.13 -0.10 -1.17 117.35 114.84 2qky s TYR 225 Ca 0.43 1.29 0.03 0.00 -1.41 0.00 0.00 57.07 57.41 2qky s TYR 225 Cb -0.11 0.37 -0.02 0.00 -1.10 0.00 0.00 41.96 41.10 2qky s TYR 225 CO 0.29 -0.48 0.48 0.00 -2.51 0.00 0.00 175.55 173.34 2qky s ALA 226 N -0.63 3.87 -0.04 9.51 0.00 -0.62 -1.35 121.76 132.49 2qky s ALA 226 Ca -0.06 -1.12 0.00 0.00 0.00 0.00 0.00 51.96 50.78 2qky s ALA 226 Cb -0.02 -1.91 0.03 0.00 0.00 0.00 0.00 23.12 21.21 2qky s ALA 226 CO 0.05 0.03 -0.01 -1.14 0.00 0.00 0.00 175.76 174.69 2qky s GLN 227 N -4.20 0.54 -0.11 0.00 0.74 0.40 -1.69 119.66 115.33 2qky s GLN 227 Ca 0.40 0.03 0.02 0.00 0.05 0.00 0.00 55.36 55.86 2qky s GLN 227 Cb -0.09 -0.72 -0.01 0.00 1.10 0.00 0.00 33.01 33.29 2qky s GLN 227 CO 0.33 -0.16 -0.16 -0.06 -0.55 0.00 0.00 175.29 174.68 2qky s PHE 228 N 1.25 2.72 -0.60 1.67 0.08 0.30 0.56 117.98 123.95 2qky s PHE 228 Ca -0.06 -0.66 0.01 0.00 0.12 0.00 0.00 56.93 56.33 2qky s PHE 228 Cb -0.13 -1.77 0.15 0.00 -0.57 0.00 0.00 43.02 40.70 2qky s PHE 228 CO -0.02 -0.20 0.38 1.21 -0.10 0.00 0.00 175.22 176.50 2qky s ASN 229 N 0.16 4.82 0.00 1.36 3.84 -0.22 0.36 114.94 125.25 2qky s ASN 229 Ca -0.09 -3.07 0.16 0.00 0.21 0.00 0.00 52.86 50.07 2qky s ASN 229 Cb -0.15 -1.74 0.76 0.00 -0.55 0.00 0.00 41.25 39.57 2qky s ASN 229 CO 0.05 -0.27 1.50 0.47 -2.79 0.00 0.00 177.10 176.07 2qky n ASP 230 N 3.11 0.00 -0.01 -4.21 8.00 0.10 -3.08 116.55 120.46 2qky n ASP 230 Ca 0.08 0.28 -0.00 0.00 0.71 0.00 0.00 54.79 55.86 2qky n ASP 230 Cb 0.35 -0.40 -0.00 0.00 -0.02 0.00 0.00 41.12 41.05 2qky n ASP 230 CO 0.00 0.00 0.00 0.41 -0.39 0.00 0.00 177.20 177.22 2qky n THR 231 N -1.40 -0.01 -0.43 -3.53 -1.04 -1.25 0.50 114.28 107.12 2qky n THR 231 Ca 0.06 0.04 -0.02 0.00 -2.04 0.00 0.00 64.05 62.08 2qky n THR 231 Cb 0.16 -0.05 0.24 0.00 -1.82 0.00 0.00 70.33 68.86 2qky n THR 231 CO 0.00 0.00 0.00 -0.62 -0.64 0.00 0.00 175.07 173.81 2qky n GLU 232 N -3.50 3.15 -3.05 -2.82 1.02 -1.26 -4.89 120.64 109.29 2qky n GLU 232 Ca 0.00 -2.21 -0.40 0.00 -0.02 0.00 0.00 57.16 54.53 2qky n GLU 232 Cb 0.00 -1.98 -0.05 0.00 -0.02 0.00 0.00 31.44 29.39 2qky n GLU 232 CO 0.00 0.00 0.00 0.08 1.18 0.00 0.00 177.13 178.39 2qky s VAL 233 N -2.28 5.00 0.56 2.62 1.01 0.18 -4.70 120.40 122.79 2qky s VAL 233 Ca 0.39 1.34 -0.21 0.00 0.00 0.00 0.00 61.98 63.50 2qky s VAL 233 Cb 0.31 -4.01 -0.04 0.00 0.00 0.00 0.00 36.38 32.64 2qky s VAL 233 CO 0.10 0.12 1.32 -2.84 0.00 0.00 0.00 175.10 173.80 2qky s PRO 234 N 1.72 3.06 -0.02 2.72 0.02 -1.26 -4.73 135.00 136.51 2qky s PRO 234 Ca 0.33 2.13 -0.02 0.00 0.02 0.00 0.00 61.00 63.45 2qky s PRO 234 Cb -0.16 -2.16 -0.04 0.00 0.02 0.00 0.00 34.50 32.16 2qky s PRO 234 CO 0.12 -1.22 0.13 -0.51 -0.33 0.00 0.00 177.00 175.19 2qky s LEU 235 N -3.69 4.15 0.00 -5.54 1.43 -1.26 -2.17 118.68 111.59 2qky s LEU 235 Ca 0.74 0.27 -0.07 0.00 -1.03 0.00 0.00 54.13 54.04 2qky s LEU 235 Cb -0.38 -2.38 -0.05 0.00 0.03 0.00 0.00 46.19 43.41 2qky s LEU 235 CO 0.44 0.29 0.26 -0.51 0.23 0.00 0.00 176.35 177.06 2qky s ILE 236 N -1.22 5.31 -0.05 -0.59 1.10 -0.39 -4.90 121.20 120.45 2qky s ILE 236 Ca 0.24 0.18 0.01 0.00 -0.51 0.00 0.00 60.65 60.56 2qky s ILE 236 Cb -0.12 -3.56 0.02 0.00 0.15 0.00 0.00 42.46 38.95 2qky s ILE 236 CO 0.14 0.38 -0.05 -1.61 -2.11 0.00 0.00 174.94 171.70 2qky s GLU 237 N -1.71 0.86 -0.05 3.50 2.02 -1.26 -0.82 118.70 121.25 2qky s GLU 237 Ca 0.27 -0.11 -0.08 0.00 0.02 0.00 0.00 54.97 55.07 2qky s GLU 237 Cb -0.13 -0.88 0.01 0.00 0.10 0.00 0.00 34.13 33.23 2qky s GLU 237 CO 0.15 -0.09 0.19 1.52 0.02 0.00 0.00 175.26 177.06 2qky s TYR 238 N 0.97 -0.14 0.44 1.61 1.13 0.12 -4.95 117.35 116.53 2qky s TYR 238 Ca -0.10 0.32 -0.25 0.00 -1.41 0.00 0.00 57.07 55.64 2qky s TYR 238 Cb -0.14 0.04 -0.08 0.00 -1.10 0.00 0.00 41.96 40.68 2qky s TYR 238 CO -0.00 -0.18 1.29 -1.12 -2.51 0.00 0.00 175.55 173.02 2qky s SER 239 N -0.45 6.08 -0.08 -0.18 0.01 -1.26 -0.93 113.70 116.88 2qky s SER 239 Ca -0.05 2.62 0.03 0.00 1.31 0.00 0.00 55.95 59.85 2qky s SER 239 Cb -0.04 -2.63 0.01 0.00 0.21 0.00 0.00 66.02 63.57 2qky s SER 239 CO 0.01 -1.01 -0.16 0.12 0.41 0.00 0.00 173.24 172.61 2qky s PHE 240 N -1.32 1.87 -2.69 2.43 5.36 0.32 -4.75 117.98 119.20 2qky s PHE 240 Ca 0.61 -0.74 0.24 0.00 -0.96 0.00 0.00 56.93 56.08 2qky s PHE 240 Cb -0.37 -1.31 0.31 0.00 -0.34 0.00 0.00 43.02 41.30 2qky s PHE 240 CO 0.46 -0.35 1.31 0.66 -1.46 0.00 0.00 175.22 175.85 2qky n TYR 241 N 3.76 0.00 -0.56 10.12 4.02 -1.26 -0.12 117.16 133.12 2qky n TYR 241 Ca -0.21 0.00 0.00 0.00 -0.01 0.00 0.00 57.90 57.68 2qky n TYR 241 Cb 0.52 -0.01 0.00 0.00 -0.02 0.00 0.00 39.34 39.83 2qky n TYR 241 CO 0.00 0.00 0.00 0.45 -1.01 0.00 0.00 176.86 176.30 2qky n SER 242 N 0.82 -0.14 -3.12 7.72 2.88 -1.26 -4.66 113.62 115.85 2qky n SER 242 Ca 0.14 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.68 2qky n SER 242 Cb 0.53 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.99 2qky n SER 242 CO 0.00 0.00 0.00 -0.67 -1.23 0.00 0.00 175.04 173.14 2qky n ASP 243 N -3.89 0.00 -0.00 -3.46 2.03 -1.26 -4.88 116.55 105.09 2qky n ASP 243 Ca 0.00 0.00 0.09 0.00 0.52 0.00 0.00 54.79 55.40 2qky n ASP 243 Cb 0.00 0.00 -0.12 0.00 -0.72 0.00 0.00 41.12 40.28 2qky n ASP 243 CO 0.00 0.00 0.00 1.21 -1.92 0.00 0.00 177.20 176.49 2qky n GLU 244 N 0.00 0.82 0.09 -0.67 2.13 -1.26 -4.31 120.64 117.44 2qky n GLU 244 Ca 0.00 -0.05 0.04 0.00 0.66 0.00 0.00 57.16 57.81 2qky n GLU 244 Cb 0.00 -1.39 -0.01 0.00 0.27 0.00 0.00 31.44 30.30 2qky n GLU 244 CO 0.00 0.00 0.00 0.66 -0.41 0.00 0.00 177.13 177.38 2qky h SER 245 N 0.00 0.00 -1.61 4.31 4.64 -1.90 -3.44 113.55 115.54 2qky h SER 245 Ca 0.00 0.00 -0.44 0.00 -0.47 0.00 0.00 61.79 60.88 2qky h SER 245 Cb 0.57 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.65 2qky h SER 245 CO 0.00 0.36 1.43 -0.22 -0.87 0.00 0.00 176.83 177.53 2qky s LEU 246 N -5.87 3.33 0.48 5.97 2.96 -1.26 -4.81 118.68 119.47 2qky s LEU 246 Ca 0.00 0.75 0.18 0.00 -0.22 0.00 0.00 54.13 54.84 2qky s LEU 246 Cb 0.08 -2.51 1.18 0.00 0.50 0.00 0.00 46.19 45.44 2qky s LEU 246 CO 0.78 -2.81 2.00 -0.61 -1.32 0.00 0.00 176.35 174.40 2qky h GLN 247 N 17.63 0.22 -4.39 1.98 4.15 -1.94 -3.39 115.11 129.37 2qky h GLN 247 Ca -0.22 -0.01 -0.57 0.00 0.77 0.00 0.00 58.65 58.62 2qky h GLN 247 Cb 1.21 -0.05 -0.37 0.00 0.21 0.00 0.00 27.48 28.49 2qky h GLN 247 CO 1.17 0.15 -0.81 0.71 -1.93 0.00 0.00 178.83 178.11 2qky s TYR 248 N -5.23 1.85 0.28 3.99 2.02 -1.26 -5.12 117.35 113.88 2qky s TYR 248 Ca -0.06 -1.06 -0.29 0.00 -0.37 0.00 0.00 57.07 55.29 2qky s TYR 248 Cb 0.19 -1.41 -0.14 0.00 -0.40 0.00 0.00 41.96 40.21 2qky s TYR 248 CO 0.73 -0.61 1.19 -0.35 -1.57 0.00 0.00 175.55 174.95 2qky n PRO 249 N 4.85 1.71 -3.38 -1.71 -0.04 -1.26 -4.96 135.00 130.20 2qky n PRO 249 Ca -0.14 0.60 -0.31 0.00 -0.04 0.00 0.00 63.50 63.61 2qky n PRO 249 Cb 0.49 -2.11 -0.05 0.00 -0.04 0.00 0.00 33.50 31.79 2qky n PRO 249 CO 0.00 0.00 0.00 -1.59 -0.04 0.00 0.00 175.50 173.87 2qky s LYS 250 N -1.31 3.77 -0.42 0.54 -2.85 0.83 -4.82 119.74 115.49 2qky s LYS 250 Ca 0.61 0.24 -0.08 0.00 -1.00 0.00 0.00 55.97 55.74 2qky s LYS 250 Cb -0.67 -2.64 0.09 0.00 -2.06 0.00 0.00 37.83 32.56 2qky s LYS 250 CO 0.58 0.29 0.25 0.99 0.10 0.00 0.00 175.35 177.56 2qky s THR 251 N -1.88 4.03 0.01 3.79 2.01 -1.26 0.12 115.64 122.46 2qky s THR 251 Ca 0.47 -1.56 -0.30 0.00 0.31 0.00 0.00 61.69 60.61 2qky s THR 251 Cb -0.11 -3.53 -0.06 0.00 0.01 0.00 0.00 72.50 68.81 2qky s THR 251 CO 0.23 -0.56 1.40 -0.69 -0.69 0.00 0.00 174.62 174.31 2qky s VAL 252 N 1.37 3.67 -0.31 3.82 1.01 -0.11 -4.82 120.40 125.02 2qky s VAL 252 Ca 0.04 1.08 0.02 0.00 0.00 0.00 0.00 61.98 63.11 2qky s VAL 252 Cb -0.23 -3.69 0.09 0.00 0.00 0.00 0.00 36.38 32.55 2qky s VAL 252 CO 0.01 0.01 0.05 -0.13 0.00 0.00 0.00 175.10 175.03 2qky s ARG 253 N 2.25 1.21 -0.03 2.72 0.52 -1.26 -0.71 118.95 123.66 2qky s ARG 253 Ca 0.64 -1.44 0.01 0.00 -0.52 0.00 0.00 55.73 54.42 2qky s ARG 253 Cb -0.32 -2.65 -0.03 0.00 0.52 0.00 0.00 34.95 32.47 2qky s ARG 253 CO 0.27 -0.90 -0.02 0.54 0.02 0.00 0.00 175.30 175.20 2qky s VAL 254 N 1.25 4.01 -0.33 3.52 0.11 0.00 -4.89 120.40 124.07 2qky s VAL 254 Ca 0.08 -0.55 -0.29 0.00 -2.93 0.00 0.00 61.98 58.29 2qky s VAL 254 Cb -0.18 -2.74 -0.01 0.00 -1.53 0.00 0.00 36.38 31.92 2qky s VAL 254 CO -0.14 0.46 1.64 -2.84 -3.33 0.00 0.00 175.10 170.89 2qky s PRO 255 N -1.29 3.51 -0.06 1.54 0.02 -1.26 -1.27 135.00 136.19 2qky s PRO 255 Ca 0.17 1.33 -0.03 0.00 0.02 0.00 0.00 61.00 62.50 2qky s PRO 255 Cb -0.11 -4.11 0.04 0.00 0.02 0.00 0.00 34.50 30.34 2qky s PRO 255 CO 0.07 -1.65 0.12 -0.47 -0.33 0.00 0.00 177.00 174.74 2qky s TYR 256 N 6.09 -0.10 -0.16 6.54 6.14 -0.92 -4.42 117.35 130.52 2qky s TYR 256 Ca 0.73 0.44 -0.17 0.00 0.64 0.00 0.00 57.07 58.71 2qky s TYR 256 Cb -0.20 -0.27 -0.04 0.00 0.42 0.00 0.00 41.96 41.87 2qky s TYR 256 CO 0.32 -0.21 0.45 -1.25 0.64 0.00 0.00 175.55 175.51 2qky s PRO 257 N 1.86 4.26 0.44 4.97 0.04 -1.26 -4.48 135.00 140.83 2qky s PRO 257 Ca -0.01 0.35 0.05 0.00 0.04 0.00 0.00 61.00 61.43 2qky s PRO 257 Cb -0.12 -3.49 0.01 0.00 0.04 0.00 0.00 34.50 30.95 2qky s PRO 257 CO -0.05 0.05 0.61 0.15 0.04 0.00 0.00 177.00 177.81 2qky s LYS 258 N 0.99 2.82 0.11 4.56 1.02 -1.26 -1.29 119.74 126.69 2qky s LYS 258 Ca 0.23 -1.02 -0.35 0.00 0.02 0.00 0.00 55.97 54.85 2qky s LYS 258 Cb -0.15 -2.68 -0.17 0.00 -0.52 0.00 0.00 37.83 34.31 2qky s LYS 258 CO 0.09 -0.33 1.18 0.00 -0.92 0.00 0.00 175.35 175.37 2qky n ALA 259 N -1.96 -1.53 -0.18 5.17 0.00 -0.64 -0.37 120.51 121.00 2qky n ALA 259 Ca 0.06 0.51 0.00 0.00 0.00 0.00 0.00 53.44 54.01 2qky n ALA 259 Cb 0.59 -1.97 0.00 0.00 0.00 0.00 0.00 19.45 18.07 2qky n ALA 259 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2qky n GLY 260 N 2.11 1.95 0.00 0.00 0.00 -1.26 -4.88 105.19 103.11 2qky n GLY 260 Ca 0.17 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.19 2qky n GLY 260 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2qky n ALA 261 N 0.40 0.00 -3.18 4.61 0.00 0.50 -4.98 120.51 117.86 2qky n ALA 261 Ca 0.00 0.00 -0.39 0.00 0.00 0.00 0.00 53.44 53.05 2qky n ALA 261 Cb 0.00 0.00 -0.12 0.00 0.00 0.00 0.00 19.45 19.33 2qky n ALA 261 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 2qky s VAL 262 N 0.00 4.03 0.55 0.00 1.01 -1.26 -5.00 120.40 119.72 2qky s VAL 262 Ca 0.00 -1.17 -0.17 0.00 0.00 0.00 0.00 61.98 60.64 2qky s VAL 262 Cb 0.00 -3.33 -0.06 0.00 0.00 0.00 0.00 36.38 32.99 2qky s VAL 262 CO 0.00 -0.28 1.03 0.20 0.00 0.00 0.00 175.10 176.05 2qky s ASN 263 N 1.61 6.15 0.54 3.32 0.01 -1.26 -4.35 114.94 120.96 2qky s ASN 263 Ca 0.00 1.78 -0.20 0.00 -0.71 0.00 0.00 52.86 53.74 2qky s ASN 263 Cb -0.20 -2.53 -0.06 0.00 0.41 0.00 0.00 41.25 38.87 2qky s ASN 263 CO 0.03 -0.92 1.14 -2.16 -1.51 0.00 0.00 177.10 173.69 2qky s PRO 264 N -3.85 3.34 0.31 -0.60 0.04 -1.26 -4.87 135.00 128.10 2qky s PRO 264 Ca 0.63 1.65 0.00 0.00 0.04 0.00 0.00 61.00 63.32 2qky s PRO 264 Cb -0.14 -2.02 -0.04 0.00 0.04 0.00 0.00 34.50 32.34 2qky s PRO 264 CO 0.31 -0.87 0.51 0.95 0.04 0.00 0.00 177.00 177.94 2qky s THR 265 N -1.73 5.12 0.08 1.26 -4.23 -1.18 -4.90 115.64 110.06 2qky s THR 265 Ca 0.73 -0.43 0.02 0.00 -1.18 0.00 0.00 61.69 60.83 2qky s THR 265 Cb -0.25 -3.83 -0.03 0.00 1.34 0.00 0.00 72.50 69.73 2qky s THR 265 CO 0.28 -0.46 -0.08 0.54 -0.54 0.00 0.00 174.62 174.36 2qky s VAL 266 N -2.20 0.69 -0.02 2.29 0.11 -1.25 -1.06 120.40 118.97 2qky s VAL 266 Ca 0.40 -1.57 -0.12 0.00 -2.93 0.00 0.00 61.98 57.76 2qky s VAL 266 Cb -0.10 -1.23 0.02 0.00 -1.53 0.00 0.00 36.38 33.54 2qky s VAL 266 CO 0.34 -0.63 0.26 -0.54 -3.33 0.00 0.00 175.10 171.20 2qky s LYS 267 N -2.80 0.58 -0.10 1.54 1.02 0.19 -4.92 119.74 115.26 2qky s LYS 267 Ca 0.03 -0.19 0.04 0.00 0.02 0.00 0.00 55.97 55.86 2qky s LYS 267 Cb -0.02 0.26 -0.01 0.00 -0.52 0.00 0.00 37.83 37.54 2qky s LYS 267 CO -0.02 -0.15 -0.22 0.12 -0.92 0.00 0.00 175.35 174.16 2qky s PHE 268 N -1.20 2.59 0.11 3.18 5.36 -1.26 0.15 117.98 126.91 2qky s PHE 268 Ca -0.13 -0.87 0.03 0.00 -0.96 0.00 0.00 56.93 55.01 2qky s PHE 268 Cb -0.06 -1.71 -0.04 0.00 -0.34 0.00 0.00 43.02 40.87 2qky s PHE 268 CO 0.03 -0.31 -0.08 -0.06 -1.46 0.00 0.00 175.22 173.34 2qky s PHE 269 N 0.20 1.02 0.02 10.12 0.40 -0.46 -1.22 117.98 128.05 2qky s PHE 269 Ca -0.13 -0.84 0.00 0.00 -0.60 0.00 0.00 56.93 55.36 2qky s PHE 269 Cb -0.16 -0.56 -0.01 0.00 0.51 0.00 0.00 43.02 42.79 2qky s PHE 269 CO 0.07 -0.06 -0.03 0.08 0.70 0.00 0.00 175.22 175.98 2qky s VAL 270 N -3.40 0.13 -0.01 -0.44 1.01 -0.09 -0.93 120.40 116.67 2qky s VAL 270 Ca 0.12 -0.63 -0.03 0.00 0.00 0.00 0.00 61.98 61.44 2qky s VAL 270 Cb 0.04 -0.22 -0.00 0.00 0.00 0.00 0.00 36.38 36.19 2qky s VAL 270 CO -0.03 -0.32 0.07 0.54 0.00 0.00 0.00 175.10 175.37 2qky s VAL 271 N -0.97 0.05 -0.26 2.92 0.11 -0.92 0.11 120.40 121.44 2qky s VAL 271 Ca -0.10 -0.37 -0.28 0.00 -2.93 0.00 0.00 61.98 58.30 2qky s VAL 271 Cb -0.07 -0.23 0.01 0.00 -1.53 0.00 0.00 36.38 34.56 2qky s VAL 271 CO -0.01 -0.21 1.00 0.21 -3.33 0.00 0.00 175.10 172.77 2qky s ASN 272 N -0.64 6.98 0.18 3.54 3.84 -1.26 -1.73 114.94 125.85 2qky s ASN 272 Ca -0.07 1.19 0.01 0.00 0.21 0.00 0.00 52.86 54.19 2qky s ASN 272 Cb -0.04 -2.52 0.05 0.00 -0.55 0.00 0.00 41.25 38.19 2qky s ASN 272 CO 0.00 -0.70 1.42 0.71 -2.79 0.00 0.00 177.10 175.74 2qky h THR 273 N 5.53 1.42 -0.39 -5.21 1.35 -0.39 -3.18 112.91 112.04 2qky h THR 273 Ca -0.20 -2.31 -0.02 0.00 -0.55 0.00 0.00 66.41 63.32 2qky h THR 273 Cb 1.07 2.25 -0.02 0.00 -1.73 0.00 0.00 68.15 69.72 2qky h THR 273 CO 0.97 0.68 0.14 0.44 -0.25 0.00 0.00 175.52 177.51 2qky h ASP 274 N 0.20 0.51 -2.96 5.36 3.32 -1.87 -3.32 116.42 117.66 2qky h ASP 274 Ca -0.04 -0.06 -0.76 0.00 0.02 0.00 0.00 57.03 56.20 2qky h ASP 274 Cb 1.37 -0.13 -0.31 0.00 0.22 0.00 0.00 39.33 40.48 2qky h ASP 274 CO 0.13 0.48 0.40 -1.54 -1.72 0.00 0.00 179.24 176.98 2qky n SER 275 N -4.37 5.57 -3.98 6.45 3.41 -1.20 -4.99 113.62 114.51 2qky n SER 275 Ca 0.03 -3.32 -0.30 0.00 -0.26 0.00 0.00 58.87 55.01 2qky n SER 275 Cb 0.15 -1.16 -0.16 0.00 -0.26 0.00 0.00 64.21 62.78 2qky n SER 275 CO 0.00 0.00 0.00 -0.76 -0.16 0.00 0.00 175.04 174.12 2qky s LEU 276 N -2.32 2.43 0.17 1.04 1.43 -1.25 -4.86 118.68 115.32 2qky s LEU 276 Ca 0.32 -1.01 -0.30 0.00 -1.03 0.00 0.00 54.13 52.11 2qky s LEU 276 Cb 0.03 -1.23 -0.08 0.00 0.03 0.00 0.00 46.19 44.94 2qky s LEU 276 CO 0.03 -0.18 1.18 -0.55 0.23 0.00 0.00 176.35 177.06 2qky s SER 277 N 1.38 7.12 0.45 2.29 0.15 -1.26 -4.89 113.70 118.94 2qky s SER 277 Ca -0.03 2.19 0.27 0.00 0.70 0.00 0.00 55.95 59.08 2qky s SER 277 Cb -0.17 -2.60 0.78 0.00 -1.71 0.00 0.00 66.02 62.31 2qky s SER 277 CO -0.07 -0.35 1.76 0.77 1.20 0.00 0.00 173.24 176.55 2qky h SER 278 N 5.33 0.00 0.45 5.45 4.64 -2.02 -3.08 113.55 124.31 2qky h SER 278 Ca -0.44 0.00 -0.30 0.00 -0.47 0.00 0.00 61.79 60.57 2qky h SER 278 Cb 1.21 0.00 -0.03 0.00 -0.31 0.00 0.00 62.40 63.27 2qky h SER 278 CO 0.75 0.00 -1.66 0.58 -0.87 0.00 0.00 176.83 175.62 2qky h VAL 279 N 0.00 0.95 -2.51 0.95 2.07 -2.06 -3.48 116.25 112.17 2qky h VAL 279 Ca 0.00 -2.71 -0.52 0.00 0.82 0.00 0.00 66.70 64.29 2qky h VAL 279 Cb 0.77 2.55 -0.14 0.00 -1.52 0.00 0.00 31.29 32.96 2qky h VAL 279 CO 0.00 0.69 -0.66 -0.89 0.02 0.00 0.00 177.57 176.73 2qky s THR 280 N -2.60 1.70 -0.05 2.57 2.01 -1.17 -5.13 115.64 112.98 2qky s THR 280 Ca -0.09 -2.12 -0.26 0.00 0.31 0.00 0.00 61.69 59.54 2qky s THR 280 Cb 0.08 -2.55 -0.03 0.00 0.01 0.00 0.00 72.50 70.00 2qky s THR 280 CO 0.82 -0.24 0.80 0.20 -0.69 0.00 0.00 174.62 175.51 2qky s ASN 281 N -3.49 7.12 0.92 3.53 0.01 -1.26 -4.14 114.94 117.63 2qky s ASN 281 Ca 0.31 1.35 -0.15 0.00 -0.71 0.00 0.00 52.86 53.65 2qky s ASN 281 Cb 0.04 -2.47 -0.07 0.00 0.41 0.00 0.00 41.25 39.17 2qky s ASN 281 CO 0.13 -0.17 -0.16 0.00 -1.51 0.00 0.00 177.10 175.40 2qky n ALA 282 N 3.84 -3.83 -4.01 0.60 0.00 -1.26 -4.98 120.51 110.87 2qky n ALA 282 Ca 0.01 -0.57 -0.31 0.00 0.00 0.00 0.00 53.44 52.57 2qky n ALA 282 Cb 0.51 -1.48 -0.16 0.00 0.00 0.00 0.00 19.45 18.32 2qky n ALA 282 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.50 178.49 2qky s THR 283 N -2.14 1.76 -0.21 0.00 2.01 -1.26 -5.07 115.64 110.73 2qky s THR 283 Ca 0.50 -1.20 -0.12 0.00 0.31 0.00 0.00 61.69 61.19 2qky s THR 283 Cb -0.23 -1.87 -0.05 0.00 0.01 0.00 0.00 72.50 70.36 2qky s THR 283 CO 0.73 0.09 0.20 -0.44 -0.69 0.00 0.00 174.62 174.51 2qky s SER 284 N 1.32 6.24 -0.21 3.53 0.01 -1.26 -4.50 113.70 118.83 2qky s SER 284 Ca -0.04 0.26 -0.19 0.00 1.31 0.00 0.00 55.95 57.30 2qky s SER 284 Cb -0.17 -2.13 -0.03 0.00 0.21 0.00 0.00 66.02 63.90 2qky s SER 284 CO -0.07 0.09 0.55 -0.63 0.41 0.00 0.00 173.24 173.58 2qky s ILE 285 N 0.78 5.08 0.54 1.44 -1.09 0.31 -4.76 121.20 123.49 2qky s ILE 285 Ca 0.11 1.00 -0.19 0.00 -2.23 0.00 0.00 60.65 59.33 2qky s ILE 285 Cb -0.13 -3.87 -0.06 0.00 -1.58 0.00 0.00 42.46 36.83 2qky s ILE 285 CO 0.03 0.14 1.09 -1.58 -1.23 0.00 0.00 174.94 173.39 2qky s GLN 286 N 1.85 3.46 -0.43 2.79 0.74 -1.26 -0.91 119.66 125.90 2qky s GLN 286 Ca 0.25 1.47 0.02 0.00 0.05 0.00 0.00 55.36 57.15 2qky s GLN 286 Cb -0.16 -2.03 0.13 0.00 1.10 0.00 0.00 33.01 32.05 2qky s GLN 286 CO 0.10 -0.73 0.21 0.42 -0.55 0.00 0.00 175.29 174.74 2qky s ILE 287 N -1.95 1.55 0.74 -2.34 1.01 -0.36 -4.84 121.20 115.02 2qky s ILE 287 Ca 0.70 -2.50 -0.15 0.00 0.00 0.00 0.00 60.65 58.69 2qky s ILE 287 Cb -0.20 -2.10 0.03 0.00 0.01 0.00 0.00 42.46 40.19 2qky s ILE 287 CO 0.27 -0.84 1.07 0.35 0.00 0.00 0.00 174.94 175.79 2qky n THR 288 N 3.69 2.82 -1.80 2.92 -2.24 -1.26 -4.44 114.28 113.96 2qky n THR 288 Ca 0.06 -0.34 -0.31 0.00 -2.27 0.00 0.00 64.05 61.20 2qky n THR 288 Cb 0.35 -1.17 0.03 0.00 -2.10 0.00 0.00 70.33 67.44 2qky n THR 288 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2qky s ALA 289 N -1.86 2.92 1.36 6.98 0.00 -1.26 -5.03 121.76 124.87 2qky s ALA 289 Ca 0.74 -0.14 -0.21 0.00 0.00 0.00 0.00 51.96 52.36 2qky s ALA 289 Cb -0.33 -3.08 0.34 0.00 0.00 0.00 0.00 23.12 20.05 2qky s ALA 289 CO 0.49 -0.96 0.97 -1.25 0.00 0.00 0.00 175.76 175.01 2qky s PRO 290 N -5.20 -2.42 0.26 0.00 0.04 -1.26 -4.78 135.00 121.63 2qky s PRO 290 Ca 0.57 0.22 0.08 0.00 0.04 0.00 0.00 61.00 61.91 2qky s PRO 290 Cb -0.12 -1.43 0.31 0.00 0.04 0.00 0.00 34.50 33.30 2qky s PRO 290 CO 0.54 -4.56 1.59 0.00 0.04 0.00 0.00 177.00 174.60 2qky h ALA 291 N -3.20 0.92 0.00 8.56 0.00 -1.99 -2.24 119.26 121.31 2qky h ALA 291 Ca -0.47 -0.56 0.00 0.00 0.00 0.00 0.00 54.91 53.88 2qky h ALA 291 Cb 1.33 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 19.03 2qky h ALA 291 CO 0.33 0.76 -0.40 -1.13 0.00 0.00 0.00 179.25 178.81 2qky n SER 292 N -3.82 0.58 -0.04 0.00 3.41 -1.26 -3.77 113.62 108.72 2qky n SER 292 Ca -0.02 0.18 -0.10 0.00 -0.26 0.00 0.00 58.87 58.67 2qky n SER 292 Cb 0.62 -0.09 -0.14 0.00 -0.26 0.00 0.00 64.21 64.34 2qky n SER 292 CO 0.00 0.00 0.00 0.80 -0.16 0.00 0.00 175.04 175.68 2qky n MET 293 N -1.93 0.65 0.00 4.33 0.00 -1.15 -4.27 117.12 114.76 2qky n MET 293 Ca 0.05 0.23 0.14 0.00 0.00 0.00 0.00 57.70 58.11 2qky n MET 293 Cb 0.40 -1.73 0.56 0.00 0.00 0.00 0.00 33.22 32.45 2qky n MET 293 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 175.97 177.25 2qky n LEU 294 N -3.01 0.28 0.28 -0.89 4.77 -0.86 -3.86 117.00 113.71 2qky n LEU 294 Ca -0.22 0.19 0.17 0.00 -0.03 0.00 0.00 56.01 56.12 2qky n LEU 294 Cb 1.07 -0.31 0.75 0.00 -2.33 0.00 0.00 43.42 42.61 2qky n LEU 294 CO 0.44 0.06 1.00 0.16 -1.33 0.00 0.00 177.39 177.72 2qky h ILE 295 N 0.22 0.17 -3.42 -0.08 3.07 -1.74 -3.46 117.51 112.27 2qky h ILE 295 Ca 0.00 -0.52 -0.09 0.00 1.55 0.00 0.00 64.86 65.81 2qky h ILE 295 Cb 0.42 1.43 -0.04 0.00 -0.27 0.00 0.00 36.82 38.37 2qky h ILE 295 CO 0.00 0.05 0.08 -0.83 -1.05 0.00 0.00 178.15 176.40 2qky s GLY 296 N -4.19 0.67 0.25 0.16 0.00 -1.25 -5.13 107.32 97.82 2qky s GLY 296 Ca -0.01 -0.94 -0.29 0.00 0.00 0.00 0.00 44.72 43.48 2qky s GLY 296 CO 0.54 -0.53 0.91 1.22 0.00 0.00 0.00 173.10 175.24 2qky n ASP 297 N -1.17 0.65 -1.97 1.64 8.00 -1.26 -4.87 116.55 117.57 2qky n ASP 297 Ca -0.04 1.16 -0.07 0.00 0.71 0.00 0.00 54.79 56.55 2qky n ASP 297 Cb 0.61 -1.19 -0.01 0.00 -0.02 0.00 0.00 41.12 40.50 2qky n ASP 297 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 2qky n HIS 298 N 0.34 -1.06 -3.95 1.24 1.44 -1.26 -1.67 115.22 110.30 2qky n HIS 298 Ca 0.12 -1.13 -0.09 0.00 -2.01 0.00 0.00 57.72 54.62 2qky n HIS 298 Cb 0.29 0.31 -0.08 0.00 0.12 0.00 0.00 29.99 30.63 2qky n HIS 298 CO 0.00 0.00 0.00 0.71 -2.81 0.00 0.00 176.34 174.24 2qky s TYR 299 N -4.26 0.37 -0.45 -1.40 2.02 -0.27 -4.81 117.35 108.56 2qky s TYR 299 Ca 0.13 -0.77 -0.11 0.00 -0.37 0.00 0.00 57.07 55.96 2qky s TYR 299 Cb -0.01 -0.12 0.09 0.00 -0.40 0.00 0.00 41.96 41.52 2qky s TYR 299 CO 0.10 -0.62 0.31 -1.17 -1.57 0.00 0.00 175.55 172.60 2qky s LEU 300 N -2.94 5.41 0.08 -1.29 2.96 -1.26 -2.27 118.68 119.37 2qky s LEU 300 Ca 0.13 -1.58 0.24 0.00 -0.22 0.00 0.00 54.13 52.70 2qky s LEU 300 Cb 0.05 -2.04 0.31 0.00 0.50 0.00 0.00 46.19 45.01 2qky s LEU 300 CO -0.04 -0.61 1.28 0.00 -1.32 0.00 0.00 176.35 175.66 2qky s ASP 302 N -3.94 -0.30 -0.06 0.00 -1.08 -1.17 -4.88 116.67 105.24 2qky s ASP 302 Ca 0.07 0.49 0.06 0.00 -0.52 0.00 0.00 52.55 52.64 2qky s ASP 302 Cb 0.14 1.01 -0.01 0.00 -1.46 0.00 0.00 42.92 42.61 2qky s ASP 302 CO 0.73 -0.08 -0.24 -0.69 0.52 0.00 0.00 175.17 175.42 2qky s VAL 303 N 1.02 2.18 -0.19 1.11 1.01 -1.26 -1.30 120.40 122.98 2qky s VAL 303 Ca -0.06 -1.02 -0.10 0.00 0.00 0.00 0.00 61.98 60.79 2qky s VAL 303 Cb -0.03 -1.80 0.06 0.00 0.00 0.00 0.00 36.38 34.61 2qky s VAL 303 CO -0.12 0.57 0.45 -0.89 0.00 0.00 0.00 175.10 175.11 2qky s THR 304 N -0.19 -0.05 0.17 3.92 2.01 -0.87 -5.04 115.64 115.59 2qky s THR 304 Ca -0.03 0.08 -0.26 0.00 0.31 0.00 0.00 61.69 61.79 2qky s THR 304 Cb -0.14 -0.67 -0.08 0.00 0.01 0.00 0.00 72.50 71.63 2qky s THR 304 CO 0.03 0.03 0.81 0.26 -0.69 0.00 0.00 174.62 175.07 2qky s TRP 305 N 1.49 3.91 -0.13 4.92 0.52 -1.26 -0.20 118.94 128.19 2qky s TRP 305 Ca -0.09 1.69 -0.12 0.00 0.02 0.00 0.00 56.10 57.60 2qky s TRP 305 Cb -0.08 -2.82 -0.04 0.00 -1.15 0.00 0.00 33.47 29.38 2qky s TRP 305 CO -0.14 0.48 -0.23 0.00 0.02 0.00 0.00 176.95 177.09 2qky n ALA 306 N 1.68 0.58 -2.34 0.98 0.00 0.04 -4.87 120.51 116.57 2qky n ALA 306 Ca -0.05 -0.57 -0.18 0.00 0.00 0.00 0.00 53.44 52.64 2qky n ALA 306 Cb 0.48 0.02 -0.10 0.00 0.00 0.00 0.00 19.45 19.85 2qky n ALA 306 CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 177.50 178.45 2qky s THR 307 N -2.33 0.56 -0.53 0.00 -4.23 -0.85 -4.77 115.64 103.48 2qky s THR 307 Ca -0.19 -2.00 0.05 0.00 -1.18 0.00 0.00 61.69 58.37 2qky s THR 307 Cb 0.03 -2.61 0.05 0.00 1.34 0.00 0.00 72.50 71.31 2qky s THR 307 CO 0.28 0.00 1.05 0.00 -0.54 0.00 0.00 174.62 175.41 2qky n GLN 308 N -0.53 0.03 0.00 3.99 1.13 -1.26 -1.21 117.38 119.53 2qky n GLN 308 Ca -0.00 0.44 0.00 0.00 -1.94 0.00 0.00 57.00 55.50 2qky n GLN 308 Cb 0.66 -1.76 0.00 0.00 0.11 0.00 0.00 30.24 29.25 2qky n GLN 308 CO 0.00 0.00 0.00 0.39 -1.44 0.00 0.00 177.06 176.01 2qky n GLU 309 N -1.61 -0.02 -4.99 -1.09 1.02 -1.26 -4.90 120.64 107.78 2qky n GLU 309 Ca -0.00 -0.33 -0.27 0.00 -0.02 0.00 0.00 57.16 56.54 2qky n GLU 309 Cb 0.15 -0.67 -0.15 0.00 -0.02 0.00 0.00 31.44 30.75 2qky n GLU 309 CO 0.00 0.00 0.00 0.50 1.18 0.00 0.00 177.13 178.81 2qky s ARG 310 N -0.08 1.67 0.08 3.49 3.52 -0.35 -1.64 118.95 125.64 2qky s ARG 310 Ca 0.00 -0.76 0.03 0.00 -0.13 0.00 0.00 55.73 54.87 2qky s ARG 310 Cb 0.00 -1.63 -0.03 0.00 -1.56 0.00 0.00 34.95 31.73 2qky s ARG 310 CO 0.00 0.44 -0.10 -1.50 -0.81 0.00 0.00 175.30 173.33 2qky s ILE 311 N -0.52 0.85 -0.04 4.11 2.07 0.72 -0.78 121.20 127.62 2qky s ILE 311 Ca 0.08 -1.43 0.05 0.00 -1.41 0.00 0.00 60.65 57.94 2qky s ILE 311 Cb -0.08 -1.11 -0.01 0.00 0.13 0.00 0.00 42.46 41.40 2qky s ILE 311 CO -0.01 -0.45 -0.18 -0.94 -1.91 0.00 0.00 174.94 171.45 2qky s SER 312 N -2.08 2.22 -0.04 4.50 1.04 0.72 0.31 113.70 120.37 2qky s SER 312 Ca -0.00 -0.36 0.05 0.00 0.48 0.00 0.00 55.95 56.12 2qky s SER 312 Cb -0.06 -0.52 -0.01 0.00 0.10 0.00 0.00 66.02 65.53 2qky s SER 312 CO 0.00 0.18 -0.20 -0.76 0.98 0.00 0.00 173.24 173.45 2qky s LEU 313 N -0.10 1.98 -0.15 2.42 1.02 0.29 -2.05 118.68 122.09 2qky s LEU 313 Ca -0.01 -0.39 -0.01 0.00 0.02 0.00 0.00 54.13 53.74 2qky s LEU 313 Cb -0.10 -1.07 -0.01 0.00 0.02 0.00 0.00 46.19 45.02 2qky s LEU 313 CO 0.01 0.20 -0.11 -1.10 0.02 0.00 0.00 176.35 175.37 2qky s GLN 314 N -0.14 3.41 -0.03 1.70 -0.21 -0.42 0.19 119.66 124.16 2qky s GLN 314 Ca -0.01 -0.66 0.03 0.00 0.02 0.00 0.00 55.36 54.74 2qky s GLN 314 Cb -0.11 -2.72 -0.03 0.00 1.00 0.00 0.00 33.01 31.15 2qky s GLN 314 CO 0.02 0.14 -0.10 -1.58 -2.12 0.00 0.00 175.29 171.65 2qky s TRP 315 N 0.55 2.82 -0.03 0.91 0.52 -0.33 -2.51 118.94 120.88 2qky s TRP 315 Ca -0.07 -0.07 0.07 0.00 0.02 0.00 0.00 56.10 56.05 2qky s TRP 315 Cb -0.15 -1.63 -0.02 0.00 -1.15 0.00 0.00 33.47 30.52 2qky s TRP 315 CO 0.03 0.30 -0.26 -1.17 0.02 0.00 0.00 176.95 175.88 2qky s LEU 316 N -1.05 2.05 0.44 2.99 2.96 -0.96 -0.32 118.68 124.79 2qky s LEU 316 Ca 0.14 -0.48 -0.21 0.00 -0.22 0.00 0.00 54.13 53.36 2qky s LEU 316 Cb -0.11 -1.34 -0.11 0.00 0.50 0.00 0.00 46.19 45.13 2qky s LEU 316 CO 0.03 0.30 0.96 -0.13 -1.32 0.00 0.00 176.35 176.19 2qky s ARG 317 N -0.48 4.17 0.51 1.98 0.52 -0.41 -1.11 118.95 124.13 2qky s ARG 317 Ca 0.06 1.14 0.24 0.00 -0.52 0.00 0.00 55.73 56.66 2qky s ARG 317 Cb -0.11 -2.17 1.34 0.00 0.52 0.00 0.00 34.95 34.53 2qky s ARG 317 CO 0.00 -0.08 1.96 -0.09 0.02 0.00 0.00 175.30 177.11 2qky h ARG 318 N 1.84 0.09 -4.56 3.54 2.43 -1.63 -1.74 114.38 114.35 2qky h ARG 318 Ca -0.49 -0.01 -0.74 0.00 -0.81 0.00 0.00 59.98 57.94 2qky h ARG 318 Cb 1.18 -0.02 -0.20 0.00 -0.42 0.00 0.00 29.97 30.51 2qky h ARG 318 CO 0.61 0.06 0.92 0.42 -1.51 0.00 0.00 179.97 180.47 2qky s ILE 319 N -5.10 5.15 0.00 1.20 -1.09 -1.26 -4.83 121.20 115.27 2qky s ILE 319 Ca -0.06 -2.42 0.00 0.00 -2.23 0.00 0.00 60.65 55.95 2qky s ILE 319 Cb 0.20 -4.78 0.00 0.00 -1.58 0.00 0.00 42.46 36.31 2qky s ILE 319 CO 0.75 -1.46 0.00 0.00 -1.23 0.00 0.00 174.94 173.00 2qky n GLN 320 N 5.29 0.00 -0.18 2.79 6.02 -0.65 -3.28 117.38 127.37 2qky n GLN 320 Ca 0.28 0.00 0.06 0.00 -0.01 0.00 0.00 57.00 57.33 2qky n GLN 320 Cb 0.45 -1.13 0.15 0.00 1.02 0.00 0.00 30.24 30.72 2qky n GLN 320 CO 0.00 0.00 0.00 0.27 -1.01 0.00 0.00 177.06 176.32 2qky n ASN 321 N 1.09 2.93 -3.72 1.08 0.23 -1.26 -0.40 115.26 115.22 2qky n ASN 321 Ca 0.00 -2.01 -0.14 0.00 -0.53 0.00 0.00 54.58 51.90 2qky n ASN 321 Cb 0.00 -0.23 -0.14 0.00 -2.08 0.00 0.00 39.78 37.32 2qky n ASN 321 CO 0.00 0.00 0.00 -0.47 -0.93 0.00 0.00 177.26 175.86 2qky s TYR 322 N -1.01 -0.22 -0.05 -2.53 6.14 -1.20 -1.38 117.35 117.09 2qky s TYR 322 Ca 0.23 0.60 -0.07 0.00 0.64 0.00 0.00 57.07 58.48 2qky s TYR 322 Cb 0.12 -0.09 0.01 0.00 0.42 0.00 0.00 41.96 42.42 2qky s TYR 322 CO 0.16 -0.22 0.18 -1.54 0.64 0.00 0.00 175.55 174.77 2qky s SER 323 N 1.52 -0.14 -0.11 4.32 1.04 -0.45 -1.29 113.70 118.59 2qky s SER 323 Ca -0.06 0.23 0.01 0.00 0.48 0.00 0.00 55.95 56.61 2qky s SER 323 Cb -0.11 0.34 0.02 0.00 0.10 0.00 0.00 66.02 66.37 2qky s SER 323 CO -0.07 -0.16 -0.11 -0.69 0.98 0.00 0.00 173.24 173.20 2qky s VAL 324 N -0.32 1.20 -0.20 5.02 1.01 0.56 -1.35 120.40 126.31 2qky s VAL 324 Ca -0.04 -0.43 -0.17 0.00 0.00 0.00 0.00 61.98 61.34 2qky s VAL 324 Cb -0.03 -1.15 -0.04 0.00 0.00 0.00 0.00 36.38 35.16 2qky s VAL 324 CO 0.01 0.39 0.44 -0.32 0.00 0.00 0.00 175.10 175.62 2qky s MET 325 N 1.33 4.17 0.08 2.72 -2.45 -0.20 -1.18 119.30 123.77 2qky s MET 325 Ca -0.01 0.28 0.03 0.00 -1.25 0.00 0.00 55.69 54.73 2qky s MET 325 Cb -0.14 -3.55 -0.04 0.00 1.25 0.00 0.00 34.83 32.35 2qky s MET 325 CO -0.05 -0.10 0.10 -0.51 1.05 0.00 0.00 175.02 175.52 2qky s ASP 326 N 1.12 5.67 -0.29 1.11 1.01 0.51 -1.54 116.67 124.25 2qky s ASP 326 Ca 0.21 0.03 0.01 0.00 0.71 0.00 0.00 52.55 53.50 2qky s ASP 326 Cb -0.15 -1.56 0.09 0.00 1.01 0.00 0.00 42.92 42.31 2qky s ASP 326 CO 0.09 0.17 0.05 -0.63 0.21 0.00 0.00 175.17 175.05 2qky s ILE 327 N -1.42 1.32 -0.13 0.77 1.01 -1.26 0.11 121.20 121.59 2qky s ILE 327 Ca 0.30 -1.53 -0.14 0.00 0.00 0.00 0.00 60.65 59.29 2qky s ILE 327 Cb -0.12 -1.89 -0.05 0.00 0.01 0.00 0.00 42.46 40.41 2qky s ILE 327 CO 0.23 -0.51 0.30 0.00 0.00 0.00 0.00 174.94 174.97 2qky s ASP 329 N 0.14 5.70 -0.27 0.00 1.11 0.18 -0.20 116.67 123.32 2qky s ASP 329 Ca 0.18 -0.27 -0.09 0.00 0.18 0.00 0.00 52.55 52.55 2qky s ASP 329 Cb -0.13 -1.28 -0.04 0.00 1.07 0.00 0.00 42.92 42.54 2qky s ASP 329 CO 0.05 -0.27 0.14 -0.47 1.18 0.00 0.00 175.17 175.81 2qky s TYR 330 N -2.18 3.16 -0.94 4.23 5.04 -0.65 -1.15 117.35 124.86 2qky s TYR 330 Ca 0.39 -0.18 -0.17 0.00 -2.44 0.00 0.00 57.07 54.67 2qky s TYR 330 Cb -0.08 -2.32 0.15 0.00 0.35 0.00 0.00 41.96 40.06 2qky s TYR 330 CO 0.28 -0.28 1.09 0.34 -1.34 0.00 0.00 175.55 175.64 2qky s ASP 331 N 1.68 6.70 0.17 4.32 2.15 -0.93 -4.90 116.67 125.87 2qky s ASP 331 Ca 0.06 -2.27 0.02 0.00 0.43 0.00 0.00 52.55 50.79 2qky s ASP 331 Cb -0.16 -2.36 0.45 0.00 -0.30 0.00 0.00 42.92 40.55 2qky s ASP 331 CO 0.08 -0.93 0.84 1.21 -0.17 0.00 0.00 175.17 176.19 2qky n GLU 332 N 5.93 -0.04 0.00 4.34 2.13 -1.26 -1.66 120.64 130.08 2qky n GLU 332 Ca 0.23 0.79 0.00 0.00 0.66 0.00 0.00 57.16 58.85 2qky n GLU 332 Cb 0.48 -1.28 0.00 0.00 0.27 0.00 0.00 31.44 30.91 2qky n GLU 332 CO 0.00 0.00 0.00 -1.13 -0.41 0.00 0.00 177.13 175.59 2qky n SER 333 N -4.59 0.00 0.15 4.31 3.41 -1.26 -3.72 113.62 111.92 2qky n SER 333 Ca 0.14 0.38 0.05 0.00 -0.26 0.00 0.00 58.87 59.17 2qky n SER 333 Cb 0.45 0.00 0.25 0.00 -0.26 0.00 0.00 64.21 64.64 2qky n SER 333 CO 0.00 0.00 0.00 -1.54 -0.16 0.00 0.00 175.04 173.34 2qky n SER 334 N -0.47 0.23 0.00 4.04 3.41 -0.71 -4.76 113.62 115.36 2qky n SER 334 Ca 0.00 0.46 0.00 0.00 -0.26 0.00 0.00 58.87 59.07 2qky n SER 334 Cb 0.00 -0.36 0.00 0.00 -0.26 0.00 0.00 64.21 63.59 2qky n SER 334 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2qky n GLY 335 N -1.26 1.99 3.91 5.00 0.00 -0.66 -4.94 105.19 109.22 2qky n GLY 335 Ca -0.01 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.73 2qky n GLY 335 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2qky s ARG 336 N 0.00 1.67 -0.12 1.61 1.81 -1.26 -4.88 118.95 117.78 2qky s ARG 336 Ca 0.00 -0.09 0.01 0.00 -1.72 0.00 0.00 55.73 53.93 2qky s ARG 336 Cb 0.00 -1.96 -0.01 0.00 -0.45 0.00 0.00 34.95 32.52 2qky s ARG 336 CO 0.00 -1.75 -0.14 -1.58 -0.68 0.00 0.00 175.30 171.15 2qky s TRP 337 N -3.60 2.77 0.04 -0.53 0.52 -1.26 -2.20 118.94 114.68 2qky s TRP 337 Ca 0.65 -0.64 0.09 0.00 0.02 0.00 0.00 56.10 56.21 2qky s TRP 337 Cb -0.09 -1.81 -0.03 0.00 -1.15 0.00 0.00 33.47 30.39 2qky s TRP 337 CO 0.49 -0.20 -0.25 -0.80 0.02 0.00 0.00 176.95 176.22 2qky s ASN 338 N 0.25 3.29 -0.35 2.95 -0.87 -0.30 -4.94 114.94 114.97 2qky s ASN 338 Ca -0.10 -0.56 0.01 0.00 -1.57 0.00 0.00 52.86 50.64 2qky s ASN 338 Cb -0.16 -0.35 0.11 0.00 -0.02 0.00 0.00 41.25 40.83 2qky s ASN 338 CO 0.06 0.26 0.13 0.00 -2.57 0.00 0.00 177.10 174.97 2qky s LEU 340 N 1.16 3.42 0.59 0.00 1.43 -1.26 -4.84 118.68 119.19 2qky s LEU 340 Ca 0.12 1.41 0.31 0.00 -1.03 0.00 0.00 54.13 54.94 2qky s LEU 340 Cb -0.19 -3.10 1.19 0.00 0.03 0.00 0.00 46.19 44.11 2qky s LEU 340 CO -0.16 -2.27 1.51 1.62 0.23 0.00 0.00 176.35 177.29 2qky h VAL 341 N 7.26 0.11 0.00 -1.59 3.04 -1.97 2.69 116.25 125.79 2qky h VAL 341 Ca -0.33 0.00 0.00 0.00 -1.01 0.00 0.00 66.70 65.36 2qky h VAL 341 Cb 1.23 0.18 0.00 0.00 -2.01 0.00 0.00 31.29 30.69 2qky h VAL 341 CO 1.06 0.00 0.00 0.00 -1.01 0.00 0.00 177.57 177.62 2qky n ALA 342 N -2.38 2.22 -1.16 3.17 0.00 -1.26 -1.01 120.51 120.10 2qky n ALA 342 Ca 0.22 -0.01 0.02 0.00 0.00 0.00 0.00 53.44 53.68 2qky n ALA 342 Cb 1.36 -1.02 0.03 0.00 0.00 0.00 0.00 19.45 19.82 2qky n ALA 342 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 2qky n ARG 343 N -0.53 0.87 -3.21 0.00 1.74 0.90 -4.48 116.66 111.96 2qky n ARG 343 Ca 0.01 -1.36 -0.38 0.00 -0.77 0.00 0.00 57.85 55.35 2qky n ARG 343 Cb 0.00 -0.84 -0.06 0.00 -1.02 0.00 0.00 32.46 30.55 2qky n ARG 343 CO 0.00 0.00 0.00 -1.14 -1.52 0.00 0.00 177.63 174.97 2qky s GLN 344 N -0.89 4.25 0.04 5.56 0.74 -0.18 -4.15 119.66 125.03 2qky s GLN 344 Ca 0.08 0.80 0.05 0.00 0.05 0.00 0.00 55.36 56.33 2qky s GLN 344 Cb 0.07 -3.14 -0.02 0.00 1.10 0.00 0.00 33.01 31.01 2qky s GLN 344 CO 0.01 0.57 -0.13 -1.01 -0.55 0.00 0.00 175.29 174.17 2qky s HIS 345 N -1.23 1.15 -0.02 1.67 3.76 -0.59 -4.99 115.29 115.04 2qky s HIS 345 Ca 0.34 -0.37 0.05 0.00 -0.15 0.00 0.00 55.06 54.93 2qky s HIS 345 Cb -0.19 -0.68 -0.03 0.00 1.11 0.00 0.00 32.58 32.79 2qky s HIS 345 CO 0.21 0.03 -0.15 0.42 -0.85 0.00 0.00 174.74 174.39 2qky s ILE 346 N -0.91 2.97 -0.12 0.60 1.01 -1.26 -1.03 121.20 122.46 2qky s ILE 346 Ca 0.00 -0.87 -0.02 0.00 0.00 0.00 0.00 60.65 59.77 2qky s ILE 346 Cb -0.08 -2.19 0.04 0.00 0.01 0.00 0.00 42.46 40.24 2qky s ILE 346 CO 0.01 0.51 -0.01 -0.70 0.00 0.00 0.00 174.94 174.76 2qky s GLU 347 N -0.96 0.85 0.29 2.79 2.12 -0.46 -5.02 118.70 118.31 2qky s GLU 347 Ca 0.13 -0.17 0.03 0.00 0.36 0.00 0.00 54.97 55.31 2qky s GLU 347 Cb -0.11 -1.51 -0.04 0.00 0.26 0.00 0.00 34.13 32.73 2qky s GLU 347 CO 0.02 -0.41 0.16 0.00 -0.54 0.00 0.00 175.26 174.49 2qky s MET 348 N 1.86 1.55 -0.08 4.30 0.23 -1.26 -1.34 119.30 124.55 2qky s MET 348 Ca 0.03 -1.87 -0.07 0.00 -1.03 0.00 0.00 55.69 52.74 2qky s MET 348 Cb -0.14 -0.06 0.02 0.00 -1.53 0.00 0.00 34.83 33.12 2qky s MET 348 CO -0.07 -0.44 0.22 0.45 -2.03 0.00 0.00 175.02 173.16 2qky s SER 349 N -3.35 -0.23 0.00 -1.18 0.15 -0.48 -4.99 113.70 103.63 2qky s SER 349 Ca 0.36 0.45 0.14 0.00 0.70 0.00 0.00 55.95 57.60 2qky s SER 349 Cb 0.05 0.44 -0.14 0.00 -1.71 0.00 0.00 66.02 64.66 2qky s SER 349 CO 0.17 -0.09 0.62 0.35 1.20 0.00 0.00 173.24 175.49 2qky n THR 350 N 3.15 0.00 0.57 6.45 -2.24 -1.26 -4.36 114.28 116.58 2qky n THR 350 Ca -0.15 -0.18 0.08 0.00 -2.27 0.00 0.00 64.05 61.53 2qky n THR 350 Cb 0.58 1.02 -0.10 0.00 -2.10 0.00 0.00 70.33 69.73 2qky n THR 350 CO 0.00 0.00 0.00 0.35 -0.57 0.00 0.00 175.07 174.85 2qky n THR 351 N -1.22 0.00 0.00 4.28 -2.24 -1.26 -5.08 114.28 108.76 2qky n THR 351 Ca 0.03 -0.19 0.00 0.00 -2.27 0.00 0.00 64.05 61.62 2qky n THR 351 Cb 0.23 0.80 0.00 0.00 -2.10 0.00 0.00 70.33 69.26 2qky n THR 351 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2qky n GLY 352 N 1.42 -0.77 3.84 3.38 0.00 -1.26 -4.82 105.19 106.98 2qky n GLY 352 Ca 0.02 -0.33 -0.30 0.00 0.00 0.00 0.00 46.02 45.41 2qky n GLY 352 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 173.32 173.98 2qky s TRP 353 N -4.00 1.64 -0.22 1.61 -2.14 -1.26 -4.42 118.94 110.15 2qky s TRP 353 Ca 0.00 0.47 -0.15 0.00 2.66 0.00 0.00 56.10 59.08 2qky s TRP 353 Cb 0.00 -3.83 -0.04 0.00 -3.10 0.00 0.00 33.47 26.51 2qky s TRP 353 CO 0.00 -2.76 0.38 0.08 -2.66 0.00 0.00 176.95 171.99 2qky s VAL 354 N -3.60 5.20 0.00 -0.66 1.01 0.47 -4.73 120.40 118.09 2qky s VAL 354 Ca 0.71 0.64 0.00 0.00 0.00 0.00 0.00 61.98 63.33 2qky s VAL 354 Cb -0.07 -3.71 0.00 0.00 0.00 0.00 0.00 36.38 32.60 2qky s VAL 354 CO 0.53 0.23 0.00 0.61 0.00 0.00 0.00 175.10 176.47 2qky n GLY 355 N 4.16 -1.87 0.07 4.51 0.00 -1.26 -3.25 105.19 107.55 2qky n GLY 355 Ca -0.09 -1.52 -0.08 0.00 0.00 0.00 0.00 46.02 44.33 2qky n GLY 355 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 2qky h ARG 356 N 0.00 0.00 0.00 1.61 3.08 -1.97 -3.43 114.38 113.67 2qky h ARG 356 Ca 0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.05 2qky h ARG 356 Cb 0.00 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.05 2qky h ARG 356 CO 0.00 0.41 -0.35 1.19 -1.07 0.00 0.00 179.97 180.15 2qky n PHE 357 N -4.64 0.00 -3.61 3.04 3.72 -1.26 -4.90 117.46 109.82 2qky n PHE 357 Ca -0.10 0.00 -0.07 0.00 -0.05 0.00 0.00 57.45 57.23 2qky n PHE 357 Cb 0.30 0.00 -0.05 0.00 -0.94 0.00 0.00 39.48 38.79 2qky n PHE 357 CO 0.00 0.00 0.00 -0.98 -0.05 0.00 0.00 176.76 175.73 2qky s ARG 358 N -0.91 0.36 -0.15 -1.08 1.70 -1.25 -5.02 118.95 112.60 2qky s ARG 358 Ca 0.00 0.10 -0.37 0.00 -0.47 0.00 0.00 55.73 54.99 2qky s ARG 358 Cb 0.00 0.17 -0.14 0.00 -0.57 0.00 0.00 34.95 34.41 2qky s ARG 358 CO 0.00 -0.11 1.79 -2.30 -1.08 0.00 0.00 175.30 173.61 2qky n PRO 359 N 0.70 1.73 -1.30 3.89 -0.02 -1.20 -4.56 135.00 134.24 2qky n PRO 359 Ca -0.06 0.63 -0.35 0.00 -2.02 0.00 0.00 63.50 61.70 2qky n PRO 359 Cb 0.58 -2.40 0.09 0.00 -0.02 0.00 0.00 33.50 31.75 2qky n PRO 359 CO 0.00 0.00 0.00 -1.13 1.98 0.00 0.00 175.50 176.35 2qky n SER 360 N 5.83 0.22 -4.86 2.55 3.41 -1.26 -4.89 113.62 114.63 2qky n SER 360 Ca 0.24 0.64 -0.31 0.00 -0.26 0.00 0.00 58.87 59.17 2qky n SER 360 Cb 0.22 -1.38 -0.01 0.00 -0.26 0.00 0.00 64.21 62.78 2qky n SER 360 CO 0.00 0.00 0.00 -1.83 -0.16 0.00 0.00 175.04 173.05 2qky s GLU 361 N -3.33 3.78 0.67 4.33 1.03 -1.26 -4.85 118.70 119.07 2qky s GLU 361 Ca 0.72 0.84 -0.03 0.00 0.03 0.00 0.00 54.97 56.52 2qky s GLU 361 Cb -0.34 -2.12 0.08 0.00 -0.80 0.00 0.00 34.13 30.95 2qky s GLU 361 CO 0.52 -0.40 0.95 -1.25 -1.33 0.00 0.00 175.26 173.75 2qky s PRO 362 N -4.57 2.07 -0.28 -4.83 0.04 -1.26 -4.48 135.00 121.69 2qky s PRO 362 Ca 0.57 -0.67 -0.04 0.00 0.04 0.00 0.00 61.00 60.90 2qky s PRO 362 Cb -0.10 -2.30 0.10 0.00 0.04 0.00 0.00 34.50 32.24 2qky s PRO 362 CO 0.42 -1.20 0.13 -1.01 0.04 0.00 0.00 177.00 175.37 2qky s HIS 363 N -3.10 0.37 0.59 0.56 3.76 -0.40 -4.95 115.29 112.12 2qky s HIS 363 Ca 0.62 -0.87 -0.13 0.00 -0.15 0.00 0.00 55.06 54.53 2qky s HIS 363 Cb -0.09 -0.92 -0.05 0.00 1.11 0.00 0.00 32.58 32.64 2qky s HIS 363 CO 0.43 -0.81 1.02 -0.06 -0.85 0.00 0.00 174.74 174.48 2qky s PHE 364 N 2.08 3.44 1.04 1.40 0.40 -1.26 -1.13 117.98 123.95 2qky s PHE 364 Ca 0.08 1.39 -0.17 0.00 -0.60 0.00 0.00 56.93 57.63 2qky s PHE 364 Cb -0.16 -2.79 0.22 0.00 0.51 0.00 0.00 43.02 40.80 2qky s PHE 364 CO -0.34 -0.70 1.25 0.95 0.70 0.00 0.00 175.22 177.07 2qky s THR 365 N -2.91 1.87 0.08 0.64 -4.23 -0.19 -4.92 115.64 105.98 2qky s THR 365 Ca 0.57 0.00 -0.23 0.00 -1.18 0.00 0.00 61.69 60.86 2qky s THR 365 Cb -0.12 -2.82 -0.14 0.00 1.34 0.00 0.00 72.50 70.76 2qky s THR 365 CO 0.45 0.00 1.66 0.25 -0.54 0.00 0.00 174.62 176.44 2qky h LEU 366 N -1.94 0.06 -1.38 4.79 5.85 -1.93 -2.93 115.31 117.84 2qky h LEU 366 Ca -0.45 -0.10 -0.03 0.00 0.84 0.00 0.00 57.88 58.14 2qky h LEU 366 Cb 1.26 -0.02 -0.00 0.00 0.37 0.00 0.00 40.66 42.27 2qky h LEU 366 CO 0.38 0.14 -0.16 -2.24 -0.34 0.00 0.00 178.44 176.22 2qky h ASP 367 N -0.02 0.00 0.00 1.25 3.04 -1.93 -3.47 116.42 115.29 2qky h ASP 367 Ca 0.02 0.00 0.00 0.00 -3.24 0.00 0.00 57.03 53.81 2qky h ASP 367 Cb 0.09 0.00 0.00 0.00 -1.04 0.00 0.00 39.33 38.38 2qky h ASP 367 CO -0.00 0.16 0.00 0.61 -2.04 0.00 0.00 179.24 177.96 2qky n GLY 368 N -0.05 0.47 1.05 7.15 0.00 -1.11 -4.93 105.19 107.76 2qky n GLY 368 Ca -0.00 -0.90 0.09 0.00 0.00 0.00 0.00 46.02 45.21 2qky n GLY 368 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 2qky n ASN 369 N 1.85 3.49 -3.63 1.61 3.02 -1.26 -4.91 115.26 115.43 2qky n ASN 369 Ca 0.00 -1.98 -0.07 0.00 -0.03 0.00 0.00 54.58 52.49 2qky n ASN 369 Cb 0.28 -0.36 -0.06 0.00 -0.61 0.00 0.00 39.78 39.02 2qky n ASN 369 CO 0.00 0.00 0.00 -0.94 -2.62 0.00 0.00 177.26 173.70 2qky s SER 370 N -1.04 -0.30 0.14 6.41 1.04 -1.26 -2.00 113.70 116.70 2qky s SER 370 Ca 0.38 0.51 0.03 0.00 0.48 0.00 0.00 55.95 57.35 2qky s SER 370 Cb 0.20 0.50 -0.04 0.00 0.10 0.00 0.00 66.02 66.77 2qky s SER 370 CO 0.26 -0.15 -0.07 0.72 0.98 0.00 0.00 173.24 174.98 2qky s PHE 371 N -0.23 1.17 -0.10 5.02 -0.12 0.07 -1.02 117.98 122.77 2qky s PHE 371 Ca 0.04 -0.86 0.01 0.00 -0.05 0.00 0.00 56.93 56.07 2qky s PHE 371 Cb -0.04 -0.64 -0.02 0.00 -0.63 0.00 0.00 43.02 41.70 2qky s PHE 371 CO -0.07 -0.04 -0.12 0.71 -0.05 0.00 0.00 175.22 175.66 2qky s TYR 372 N -3.47 2.81 -0.11 3.49 1.51 -0.28 0.70 117.35 122.00 2qky s TYR 372 Ca 0.17 -0.37 -0.07 0.00 -1.01 0.00 0.00 57.07 55.79 2qky s TYR 372 Cb 0.04 -1.77 0.04 0.00 -0.11 0.00 0.00 41.96 40.16 2qky s TYR 372 CO 0.00 -0.00 0.26 0.21 -1.11 0.00 0.00 175.55 174.91 2qky s LYS 373 N -0.13 0.25 -0.10 -0.62 2.20 -0.29 -1.28 119.74 119.77 2qky s LYS 373 Ca -0.00 0.48 -0.30 0.00 -0.36 0.00 0.00 55.97 55.79 2qky s LYS 373 Cb -0.13 -0.02 -0.03 0.00 -1.51 0.00 0.00 37.83 36.13 2qky s LYS 373 CO 0.03 -0.12 1.32 0.42 -0.36 0.00 0.00 175.35 176.64 2qky s ILE 374 N 0.87 4.11 0.11 5.43 1.01 -1.26 -1.77 121.20 129.69 2qky s ILE 374 Ca -0.06 1.39 -0.08 0.00 0.00 0.00 0.00 60.65 61.89 2qky s ILE 374 Cb -0.07 -3.89 -0.01 0.00 0.01 0.00 0.00 42.46 38.50 2qky s ILE 374 CO -0.06 -0.08 0.20 0.27 0.00 0.00 0.00 174.94 175.28 2qky s ILE 375 N 3.10 0.13 -0.12 2.92 -4.36 -0.46 -4.49 121.20 117.93 2qky s ILE 375 Ca 0.59 -1.26 -0.24 0.00 -0.26 0.00 0.00 60.65 59.48 2qky s ILE 375 Cb -0.25 -1.48 -0.03 0.00 1.25 0.00 0.00 42.46 41.96 2qky s ILE 375 CO 0.20 -0.57 0.74 -0.94 0.24 0.00 0.00 174.94 174.61 2qky s SER 376 N -2.89 6.95 0.71 4.36 1.04 -1.24 -1.42 113.70 121.21 2qky s SER 376 Ca 0.08 1.15 0.00 0.00 0.48 0.00 0.00 55.95 57.66 2qky s SER 376 Cb 0.05 -2.42 0.00 0.00 0.10 0.00 0.00 66.02 63.74 2qky s SER 376 CO -0.08 -0.24 0.00 -0.46 0.98 0.00 0.00 173.24 173.44 2qky n ASN 377 N 4.45 -0.71 -0.09 7.02 0.23 0.13 -4.85 115.26 121.43 2qky n ASN 377 Ca 0.01 -0.36 0.15 0.00 -0.53 0.00 0.00 54.58 53.86 2qky n ASN 377 Cb 0.50 0.00 0.84 0.00 -2.08 0.00 0.00 39.78 39.04 2qky n ASN 377 CO 0.00 0.00 0.00 -0.62 -0.93 0.00 0.00 177.26 175.71 2qky n GLU 378 N -1.07 1.05 -0.22 -3.83 -0.58 -1.26 -3.01 120.64 111.72 2qky n GLU 378 Ca 0.00 -0.18 0.07 0.00 -0.42 0.00 0.00 57.16 56.63 2qky n GLU 378 Cb 0.00 -1.50 0.19 0.00 -0.57 0.00 0.00 31.44 29.56 2qky n GLU 378 CO 0.00 0.00 0.00 0.39 -0.48 0.00 0.00 177.13 177.04 2qky n GLU 379 N -0.82 2.86 -0.79 3.49 1.02 -1.26 -4.97 120.64 120.17 2qky n GLU 379 Ca 0.22 -2.18 0.00 0.00 -0.02 0.00 0.00 57.16 55.17 2qky n GLU 379 Cb 0.17 -1.34 0.00 0.00 -0.02 0.00 0.00 31.44 30.25 2qky n GLU 379 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 2qky n GLY 380 N 0.69 0.58 3.79 0.62 0.00 -1.16 -4.75 105.19 104.96 2qky n GLY 380 Ca 0.14 -0.23 -0.24 0.00 0.00 0.00 0.00 46.02 45.69 2qky n GLY 380 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 2qky s TYR 381 N -2.00 3.08 -0.44 1.61 1.51 -1.26 0.12 117.35 119.97 2qky s TYR 381 Ca 0.00 -0.09 -0.13 0.00 -1.01 0.00 0.00 57.07 55.85 2qky s TYR 381 Cb 0.00 -1.43 0.06 0.00 -0.11 0.00 0.00 41.96 40.49 2qky s TYR 381 CO 0.00 0.53 0.31 1.03 -1.11 0.00 0.00 175.55 176.31 2qky s ARG 382 N -3.49 2.83 0.46 -0.62 0.52 -1.26 0.20 118.95 117.58 2qky s ARG 382 Ca 0.32 -1.32 0.01 0.00 -0.52 0.00 0.00 55.73 54.21 2qky s ARG 382 Cb -0.09 -3.94 0.01 0.00 0.52 0.00 0.00 34.95 31.45 2qky s ARG 382 CO 0.24 -0.93 0.08 0.72 0.02 0.00 0.00 175.30 175.42 2qky n HIS 383 N 5.07 0.66 -3.18 -0.53 8.25 -0.51 -0.46 115.22 124.52 2qky n HIS 383 Ca -0.11 -2.17 -0.39 0.00 -0.26 0.00 0.00 57.72 54.78 2qky n HIS 383 Cb 0.44 -0.32 -0.06 0.00 1.12 0.00 0.00 29.99 31.17 2qky n HIS 383 CO 0.00 0.00 0.00 0.42 0.64 0.00 0.00 176.34 177.40 2qky s ILE 384 N -2.57 5.07 -0.03 1.59 1.01 -1.26 -1.35 121.20 123.66 2qky s ILE 384 Ca 0.06 1.10 0.03 0.00 0.00 0.00 0.00 60.65 61.84 2qky s ILE 384 Cb -0.00 -3.90 -0.03 0.00 0.01 0.00 0.00 42.46 38.53 2qky s ILE 384 CO 0.04 0.17 -0.10 0.00 0.00 0.00 0.00 174.94 175.05 2qky s TYR 386 N -0.86 3.49 -0.08 0.00 5.04 -0.93 -1.13 117.35 122.86 2qky s TYR 386 Ca 0.14 0.69 0.03 0.00 -2.44 0.00 0.00 57.07 55.49 2qky s TYR 386 Cb -0.11 -2.40 0.01 0.00 0.35 0.00 0.00 41.96 39.81 2qky s TYR 386 CO 0.04 0.23 -0.17 -0.06 -1.34 0.00 0.00 175.55 174.25 2qky s PHE 387 N 0.45 1.96 -0.39 4.97 0.08 0.22 -2.04 117.98 123.23 2qky s PHE 387 Ca 0.19 -0.79 -0.18 0.00 0.12 0.00 0.00 56.93 56.27 2qky s PHE 387 Cb -0.14 -1.37 0.01 0.00 -0.57 0.00 0.00 43.02 40.95 2qky s PHE 387 CO 0.06 -0.36 0.52 -0.65 -0.10 0.00 0.00 175.22 174.69 2qky s GLN 388 N 0.57 3.39 0.57 0.44 1.11 -1.26 -0.75 119.66 123.73 2qky s GLN 388 Ca -0.15 -0.39 0.00 0.00 0.01 0.00 0.00 55.36 54.83 2qky s GLN 388 Cb -0.17 -3.89 0.00 0.00 -1.01 0.00 0.00 33.01 27.95 2qky s GLN 388 CO 0.05 -0.79 0.93 -0.84 0.01 0.00 0.00 175.29 174.65 2qky h ILE 389 N 5.71 0.00 0.00 1.08 3.07 -1.75 0.16 117.51 125.78 2qky h ILE 389 Ca -0.27 0.00 -0.00 0.00 1.55 0.00 0.00 64.86 66.14 2qky h ILE 389 Cb 1.11 0.00 -0.01 0.00 -0.27 0.00 0.00 36.82 37.66 2qky h ILE 389 CO 0.81 0.00 -0.37 -0.90 -1.05 0.00 0.00 178.15 176.63 2qky n ASP 390 N -2.29 0.68 -4.38 2.16 5.75 -1.26 -4.39 116.55 112.83 2qky n ASP 390 Ca -0.00 -2.32 -0.33 0.00 -0.01 0.00 0.00 54.79 52.13 2qky n ASP 390 Cb 0.93 -0.27 -0.14 0.00 -1.03 0.00 0.00 41.12 40.61 2qky n ASP 390 CO 0.00 0.00 0.00 -0.75 -0.11 0.00 0.00 177.20 176.34 2qky s LYS 391 N -0.82 3.31 0.40 0.11 2.47 0.57 -4.87 119.74 120.92 2qky s LYS 391 Ca 0.10 -0.69 0.07 0.00 -1.56 0.00 0.00 55.97 53.89 2qky s LYS 391 Cb 0.09 -2.60 0.84 0.00 -1.46 0.00 0.00 37.83 34.70 2qky s LYS 391 CO 0.00 0.25 2.03 0.87 0.16 0.00 0.00 175.35 178.66 2qky h LYS 392 N 6.59 0.48 -5.75 4.03 1.79 -1.94 -3.41 116.57 118.35 2qky h LYS 392 Ca -0.27 -0.05 -0.66 0.00 -2.18 0.00 0.00 60.65 57.50 2qky h LYS 392 Cb 1.21 -0.10 -0.07 0.00 -1.58 0.00 0.00 32.23 31.69 2qky h LYS 392 CO 0.55 0.37 -0.50 -0.51 -1.08 0.00 0.00 179.45 178.28 2qky s ASP 393 N -6.74 6.29 -0.08 0.86 1.01 -1.26 -4.99 116.67 111.76 2qky s ASP 393 Ca -0.08 0.38 -0.00 0.00 0.71 0.00 0.00 52.55 53.56 2qky s ASP 393 Cb 0.17 -1.99 -0.03 0.00 1.01 0.00 0.00 42.92 42.08 2qky s ASP 393 CO 0.73 0.34 -0.04 0.00 0.21 0.00 0.00 175.17 176.41 2qky s THR 395 N -0.82 4.57 0.30 0.00 2.01 -0.86 -4.80 115.64 116.04 2qky s THR 395 Ca 0.12 -1.39 -0.29 0.00 0.31 0.00 0.00 61.69 60.44 2qky s THR 395 Cb -0.11 -3.83 -0.13 0.00 0.01 0.00 0.00 72.50 68.44 2qky s THR 395 CO 0.02 -0.61 1.36 0.49 -0.69 0.00 0.00 174.62 175.19 2qky n PHE 396 N 5.02 2.27 0.74 4.92 3.72 -1.26 -2.19 117.46 130.68 2qky n PHE 396 Ca -0.11 0.48 0.08 0.00 -0.05 0.00 0.00 57.45 57.86 2qky n PHE 396 Cb 0.42 -2.45 0.01 0.00 -0.94 0.00 0.00 39.48 36.52 2qky n PHE 396 CO 0.00 0.00 0.00 0.44 -0.05 0.00 0.00 176.76 177.15 2qky n ILE 397 N 1.08 0.00 -4.18 4.37 -5.35 -0.19 -4.89 119.36 110.20 2qky n ILE 397 Ca 0.08 -0.34 -0.11 0.00 -0.27 0.00 0.00 62.75 62.10 2qky n ILE 397 Cb 0.34 1.22 -0.10 0.00 -1.74 0.00 0.00 39.64 39.36 2qky n ILE 397 CO 0.00 0.00 0.00 0.42 -1.76 0.00 0.00 176.55 175.21 2qky s THR 398 N -1.91 0.60 -0.03 7.28 -4.23 -1.25 -4.90 115.64 111.20 2qky s THR 398 Ca 0.15 -1.93 -0.30 0.00 -1.18 0.00 0.00 61.69 58.42 2qky s THR 398 Cb 0.14 -1.81 0.11 0.00 1.34 0.00 0.00 72.50 72.28 2qky s THR 398 CO 0.40 -0.75 1.02 -1.59 -0.54 0.00 0.00 174.62 173.16 2qky s LYS 399 N -3.88 0.72 0.00 3.99 -2.85 -1.26 -4.62 119.74 111.83 2qky s LYS 399 Ca 0.15 -0.31 0.00 0.00 -1.00 0.00 0.00 55.97 54.82 2qky s LYS 399 Cb 0.06 0.30 0.00 0.00 -2.06 0.00 0.00 37.83 36.13 2qky s LYS 399 CO -0.03 -0.32 0.00 0.41 0.10 0.00 0.00 175.35 175.52 2qky n GLY 400 N -0.27 0.97 2.77 0.59 0.00 -1.26 -4.90 105.19 103.10 2qky n GLY 400 Ca -0.06 -1.94 -0.40 0.00 0.00 0.00 0.00 46.02 43.61 2qky n GLY 400 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 2qky n THR 401 N 5.62 4.89 -3.91 2.61 -2.24 -1.26 -4.87 114.28 115.12 2qky n THR 401 Ca 0.00 -5.14 -0.08 0.00 -2.27 0.00 0.00 64.05 56.55 2qky n THR 401 Cb 0.00 -1.41 -0.03 0.00 -2.10 0.00 0.00 70.33 66.80 2qky n THR 401 CO 0.00 0.00 0.00 -1.66 -0.57 0.00 0.00 175.07 172.84 2qky s TRP 402 N -4.16 0.12 0.39 4.78 1.48 -1.26 -5.04 118.94 115.25 2qky s TRP 402 Ca 0.46 -0.57 0.02 0.00 -1.06 0.00 0.00 56.10 54.95 2qky s TRP 402 Cb 0.31 0.51 -0.01 0.00 -1.16 0.00 0.00 33.47 33.12 2qky s TRP 402 CO -0.27 -1.20 0.09 0.39 -4.06 0.00 0.00 176.95 171.90 2qky n GLU 403 N -0.45 0.71 -4.24 3.25 1.02 -1.26 -4.56 120.64 115.11 2qky n GLU 403 Ca -0.04 -3.11 -0.34 0.00 -0.02 0.00 0.00 57.16 53.66 2qky n GLU 403 Cb 0.60 1.42 -0.14 0.00 -0.02 0.00 0.00 31.44 33.29 2qky n GLU 403 CO 0.00 0.00 0.00 0.08 1.18 0.00 0.00 177.13 178.39 2qky s VAL 404 N -2.81 3.04 0.01 2.62 1.01 0.39 -3.68 120.40 120.97 2qky s VAL 404 Ca 0.13 -0.63 -0.22 0.00 0.00 0.00 0.00 61.98 61.26 2qky s VAL 404 Cb 0.01 -2.33 -0.18 0.00 0.00 0.00 0.00 36.38 33.87 2qky s VAL 404 CO 0.09 0.48 1.23 0.40 0.00 0.00 0.00 175.10 177.29 2qky h ILE 405 N 5.64 1.41 -1.34 2.22 1.08 -1.00 -3.47 117.51 122.05 2qky h ILE 405 Ca -0.37 -1.54 0.17 0.00 -0.39 0.00 0.00 64.86 62.74 2qky h ILE 405 Cb 1.17 2.21 -0.24 0.00 -3.07 0.00 0.00 36.82 36.89 2qky h ILE 405 CO 0.59 0.44 0.76 -0.83 -0.69 0.00 0.00 178.15 178.42 2qky s GLY 406 N -3.60 -0.12 -0.14 5.37 0.00 -1.11 -5.00 107.32 102.72 2qky s GLY 406 Ca -0.15 2.31 -0.27 0.00 0.00 0.00 0.00 44.72 46.61 2qky s GLY 406 CO 0.75 0.99 0.91 -0.42 0.00 0.00 0.00 173.10 175.32 2qky s ILE 407 N -1.27 4.84 -0.18 0.90 1.01 -1.26 -1.49 121.20 123.75 2qky s ILE 407 Ca 0.04 1.81 0.14 0.00 0.00 0.00 0.00 60.65 62.65 2qky s ILE 407 Cb -0.01 -4.21 -0.21 0.00 0.01 0.00 0.00 42.46 38.04 2qky s ILE 407 CO -0.04 0.02 0.39 -0.62 0.00 0.00 0.00 174.94 174.69 2qky n GLU 408 N 5.09 0.91 -3.61 2.79 -0.58 0.28 -4.96 120.64 120.57 2qky n GLU 408 Ca 0.06 -0.10 -0.12 0.00 -0.42 0.00 0.00 57.16 56.58 2qky n GLU 408 Cb 0.49 -1.30 -0.07 0.00 -0.57 0.00 0.00 31.44 29.99 2qky n GLU 408 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 2qky s ALA 409 N -2.84 -1.87 -0.31 0.62 0.00 -0.83 -4.89 121.76 111.65 2qky s ALA 409 Ca -0.03 1.81 -0.02 0.00 0.00 0.00 0.00 51.96 53.72 2qky s ALA 409 Cb 0.10 -1.03 0.10 0.00 0.00 0.00 0.00 23.12 22.29 2qky s ALA 409 CO 0.60 -0.30 0.12 -1.17 0.00 0.00 0.00 175.76 175.00 2qky s LEU 410 N -0.10 1.48 0.00 0.00 2.96 -1.26 0.57 118.68 122.33 2qky s LEU 410 Ca -0.01 -1.52 0.01 0.00 -0.22 0.00 0.00 54.13 52.39 2qky s LEU 410 Cb -0.04 -0.63 0.06 0.00 0.50 0.00 0.00 46.19 46.08 2qky s LEU 410 CO -0.00 -0.42 0.40 0.35 -1.32 0.00 0.00 176.35 175.36 2qky n THR 411 N 4.97 0.00 1.16 3.68 -2.24 0.10 -4.96 114.28 116.99 2qky n THR 411 Ca -0.03 -0.72 0.14 0.00 -2.27 0.00 0.00 64.05 61.17 2qky n THR 411 Cb 0.42 -1.05 0.64 0.00 -2.10 0.00 0.00 70.33 68.24 2qky n THR 411 CO 0.00 0.00 0.00 -1.54 -0.57 0.00 0.00 175.07 172.96 2qky n SER 412 N -2.88 0.06 0.00 3.42 3.41 -1.26 -3.73 113.62 112.64 2qky n SER 412 Ca 0.07 0.19 0.00 0.00 -0.26 0.00 0.00 58.87 58.87 2qky n SER 412 Cb 0.25 -0.36 0.00 0.00 -0.26 0.00 0.00 64.21 63.84 2qky n SER 412 CO 0.00 0.00 0.00 0.47 -0.16 0.00 0.00 175.04 175.35 2qky n ASP 413 N -1.40 1.41 -3.93 4.04 8.00 -1.26 -4.89 116.55 118.52 2qky n ASP 413 Ca 0.10 -0.27 -0.09 0.00 0.71 0.00 0.00 54.79 55.23 2qky n ASP 413 Cb 0.31 0.83 -0.09 0.00 -0.02 0.00 0.00 41.12 42.14 2qky n ASP 413 CO 0.00 0.00 0.00 -0.31 -0.39 0.00 0.00 177.20 176.50 2qky s TYR 414 N -1.11 0.20 -0.14 1.24 1.51 -1.24 -1.35 117.35 116.45 2qky s TYR 414 Ca 0.00 -0.50 -0.01 0.00 -1.01 0.00 0.00 57.07 55.55 2qky s TYR 414 Cb 0.00 -0.14 0.04 0.00 -0.11 0.00 0.00 41.96 41.75 2qky s TYR 414 CO 0.00 -0.37 -0.04 -1.17 -1.11 0.00 0.00 175.55 172.87 2qky s LEU 415 N -2.14 1.31 -0.07 -1.29 0.20 -1.11 0.01 118.68 115.58 2qky s LEU 415 Ca -0.05 -0.53 -0.10 0.00 0.69 0.00 0.00 54.13 54.14 2qky s LEU 415 Cb -0.01 -0.78 -0.05 0.00 -0.43 0.00 0.00 46.19 44.92 2qky s LEU 415 CO -0.05 -0.19 0.25 -0.31 -0.29 0.00 0.00 176.35 175.77 2qky s TYR 416 N 1.73 3.65 0.14 5.38 1.51 0.19 -1.85 117.35 128.11 2qky s TYR 416 Ca 0.02 0.72 -0.09 0.00 -1.01 0.00 0.00 57.07 56.71 2qky s TYR 416 Cb -0.15 -2.09 -0.00 0.00 -0.11 0.00 0.00 41.96 39.61 2qky s TYR 416 CO -0.07 0.69 0.27 1.52 -1.11 0.00 0.00 175.55 176.85 2qky s TYR 417 N -1.02 0.29 -0.15 2.71 -0.85 0.50 0.10 117.35 118.94 2qky s TYR 417 Ca 0.19 -0.67 -0.02 0.00 -0.52 0.00 0.00 57.07 56.04 2qky s TYR 417 Cb -0.14 -0.03 -0.02 0.00 0.38 0.00 0.00 41.96 42.15 2qky s TYR 417 CO 0.08 -0.68 -0.08 0.42 -1.52 0.00 0.00 175.55 173.77 2qky s ILE 418 N -3.93 3.44 0.27 -3.49 1.01 -0.55 0.34 121.20 118.29 2qky s ILE 418 Ca 0.13 -0.52 -0.04 0.00 0.00 0.00 0.00 60.65 60.22 2qky s ILE 418 Cb 0.04 -2.49 -0.01 0.00 0.01 0.00 0.00 42.46 40.01 2qky s ILE 418 CO -0.04 0.50 0.36 -0.94 0.00 0.00 0.00 174.94 174.83 2qky s SER 419 N 0.45 0.49 -0.28 3.58 1.04 -0.12 -0.33 113.70 118.53 2qky s SER 419 Ca -0.07 -1.33 0.09 0.00 0.48 0.00 0.00 55.95 55.12 2qky s SER 419 Cb -0.15 0.55 0.50 0.00 0.10 0.00 0.00 66.02 67.02 2qky s SER 419 CO 0.04 -1.10 1.43 -0.46 0.98 0.00 0.00 173.24 174.13 2qky n ASN 420 N -0.81 2.36 0.25 7.02 0.23 -1.24 0.12 115.26 123.19 2qky n ASN 420 Ca 0.01 -3.82 -0.15 0.00 -0.53 0.00 0.00 54.58 50.09 2qky n ASN 420 Cb 0.63 -0.62 -0.08 0.00 -2.08 0.00 0.00 39.78 37.62 2qky n ASN 420 CO 0.00 0.00 0.00 -0.08 -0.93 0.00 0.00 177.26 176.25 2qky h GLU 421 N 1.01 -0.58 -6.02 -3.83 4.81 -1.82 -3.38 114.58 104.77 2qky h GLU 421 Ca 0.20 0.04 -0.77 0.00 -0.13 0.00 0.00 59.36 58.70 2qky h GLU 421 Cb 1.57 0.13 0.06 0.00 0.63 0.00 0.00 28.75 31.14 2qky h GLU 421 CO 0.34 -0.33 0.02 0.98 -0.73 0.00 0.00 179.01 179.29 2qky n TYR 422 N -5.31 0.58 -1.10 0.92 9.36 -1.26 -1.28 117.16 119.07 2qky n TYR 422 Ca -0.11 1.02 -0.08 0.00 3.32 0.00 0.00 57.90 62.05 2qky n TYR 422 Cb 0.28 -2.09 -0.04 0.00 -0.63 0.00 0.00 39.34 36.86 2qky n TYR 422 CO 0.00 0.00 0.00 1.63 0.22 0.00 0.00 176.86 178.71 2qky n LYS 423 N 1.50 -1.60 -1.15 2.98 5.02 -1.26 -3.15 118.16 120.50 2qky n LYS 423 Ca 0.20 0.63 -0.05 0.00 -2.02 0.00 0.00 58.31 57.06 2qky n LYS 423 Cb 0.11 -4.72 -0.02 0.00 -0.02 0.00 0.00 35.03 30.37 2qky n LYS 423 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 2qky n GLY 424 N 0.13 0.52 3.56 0.72 0.00 -0.40 -4.97 105.19 104.75 2qky n GLY 424 Ca -0.08 -0.02 -0.41 0.00 0.00 0.00 0.00 46.02 45.51 2qky n GLY 424 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 2qky s MET 425 N -2.35 3.66 0.30 1.61 -1.94 -1.19 -4.96 119.30 114.44 2qky s MET 425 Ca 0.00 -0.09 0.24 0.00 -1.71 0.00 0.00 55.69 54.13 2qky s MET 425 Cb 0.00 -3.80 1.10 0.00 2.01 0.00 0.00 34.83 34.14 2qky s MET 425 CO 0.00 -0.65 1.72 -1.00 -0.01 0.00 0.00 175.02 175.08 2qky h PRO 426 N 8.44 0.00 -0.61 2.03 0.13 -1.88 -2.90 132.00 137.20 2qky h PRO 426 Ca -0.28 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.85 2qky h PRO 426 Cb 1.12 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.25 2qky h PRO 426 CO 0.78 0.00 0.00 0.41 -0.23 0.00 0.00 178.00 178.96 2qky n GLY 427 N -0.53 1.90 3.25 1.56 0.00 -1.26 -4.86 105.19 105.25 2qky n GLY 427 Ca 0.01 -0.58 -0.26 0.00 0.00 0.00 0.00 46.02 45.19 2qky n GLY 427 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 2qky s GLY 428 N -0.76 1.10 0.02 -0.02 0.00 -1.10 -2.48 107.32 104.07 2qky s GLY 428 Ca 0.35 -1.02 0.08 0.00 0.00 0.00 0.00 44.72 44.13 2qky s GLY 428 CO 0.17 -0.92 -0.23 0.50 0.00 0.00 0.00 173.10 172.62 2qky s ARG 429 N -0.96 1.68 0.00 2.90 0.52 -0.57 -3.84 118.95 118.68 2qky s ARG 429 Ca 0.08 -0.92 -0.04 0.00 -0.52 0.00 0.00 55.73 54.32 2qky s ARG 429 Cb -0.09 -1.74 -0.00 0.00 0.52 0.00 0.00 34.95 33.64 2qky s ARG 429 CO 0.01 0.46 0.08 -0.80 0.02 0.00 0.00 175.30 175.07 2qky s ASN 430 N -0.91 0.07 0.17 0.23 0.01 0.33 -1.04 114.94 113.81 2qky s ASN 430 Ca 0.09 -0.23 -0.29 0.00 -0.71 0.00 0.00 52.86 51.71 2qky s ASN 430 Cb -0.09 0.17 -0.07 0.00 0.41 0.00 0.00 41.25 41.67 2qky s ASN 430 CO 0.01 -0.29 0.93 -0.22 -1.51 0.00 0.00 177.10 176.01 2qky s LEU 431 N -1.17 4.57 0.16 0.60 2.96 -1.26 -0.94 118.68 123.60 2qky s LEU 431 Ca -0.13 1.84 -0.00 0.00 -0.22 0.00 0.00 54.13 55.62 2qky s LEU 431 Cb -0.07 -3.56 -0.04 0.00 0.50 0.00 0.00 46.19 43.02 2qky s LEU 431 CO 0.00 0.06 0.07 -0.31 -1.32 0.00 0.00 176.35 174.86 2qky s TYR 432 N -0.62 1.03 -0.06 5.38 1.51 0.15 -1.29 117.35 123.46 2qky s TYR 432 Ca 0.43 -1.24 -0.03 0.00 -1.01 0.00 0.00 57.07 55.22 2qky s TYR 432 Cb -0.24 -0.56 0.03 0.00 -0.11 0.00 0.00 41.96 41.08 2qky s TYR 432 CO 0.30 -0.50 0.14 -1.59 -1.11 0.00 0.00 175.55 172.80 2qky s LYS 433 N -4.06 0.11 -0.14 -0.62 -2.85 -0.88 -0.37 119.74 110.92 2qky s LYS 433 Ca 0.29 0.33 -0.01 0.00 -1.00 0.00 0.00 55.97 55.58 2qky s LYS 433 Cb 0.07 -0.12 -0.01 0.00 -2.06 0.00 0.00 37.83 35.71 2qky s LYS 433 CO 0.06 -0.13 -0.12 -1.50 0.10 0.00 0.00 175.35 173.76 2qky s ILE 434 N 0.92 3.11 -0.39 3.79 2.07 -0.77 -1.62 121.20 128.30 2qky s ILE 434 Ca -0.07 -0.63 -0.28 0.00 -1.41 0.00 0.00 60.65 58.26 2qky s ILE 434 Cb -0.09 -2.32 -0.01 0.00 0.13 0.00 0.00 42.46 40.16 2qky s ILE 434 CO -0.05 0.51 1.73 -1.58 -1.91 0.00 0.00 174.94 173.65 2qky s GLN 435 N 0.50 3.27 0.58 3.50 0.74 -1.25 -2.77 119.66 124.23 2qky s GLN 435 Ca -0.08 1.20 0.29 0.00 0.05 0.00 0.00 55.36 56.81 2qky s GLN 435 Cb -0.16 -4.19 1.48 0.00 1.10 0.00 0.00 33.01 31.24 2qky s GLN 435 CO 0.04 -1.94 1.93 -0.07 -0.55 0.00 0.00 175.29 174.70 2qky h LEU 436 N 13.82 0.00 0.00 3.68 3.38 -1.56 0.66 115.31 135.30 2qky h LEU 436 Ca -0.31 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.66 2qky h LEU 436 Cb 1.15 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.90 2qky h LEU 436 CO 1.07 0.00 -0.35 -1.54 0.09 0.00 0.00 178.44 177.72 2qky n SER 437 N -3.87 0.62 -2.97 -0.43 3.41 -1.26 -4.58 113.62 104.54 2qky n SER 437 Ca 0.09 0.25 -0.13 0.00 -0.26 0.00 0.00 58.87 58.82 2qky n SER 437 Cb 0.67 -0.19 -0.02 0.00 -0.26 0.00 0.00 64.21 64.40 2qky n SER 437 CO 0.00 0.00 0.00 -0.67 -0.16 0.00 0.00 175.04 174.21 2qky n ASP 438 N -1.99 -2.21 0.00 4.04 -0.08 0.21 -5.04 116.55 111.48 2qky n ASP 438 Ca 0.05 -2.83 0.00 0.00 -1.51 0.00 0.00 54.79 50.50 2qky n ASP 438 Cb 0.41 0.92 0.00 0.00 2.34 0.00 0.00 41.12 44.79 2qky n ASP 438 CO 0.00 0.00 0.00 -1.22 0.12 0.00 0.00 177.20 176.10 2qky n TYR 439 N 2.51 0.00 0.23 -0.67 4.01 -1.15 -0.69 117.16 121.40 2qky n TYR 439 Ca 0.20 0.00 0.03 0.00 -0.16 0.00 0.00 57.90 57.96 2qky n TYR 439 Cb 0.55 0.00 0.02 0.00 -0.31 0.00 0.00 39.34 39.60 2qky n TYR 439 CO 0.00 0.00 0.00 0.25 -0.46 0.00 0.00 176.86 176.65 2qky n THR 440 N -0.12 0.00 -2.40 -0.72 -2.24 -1.26 -4.70 114.28 102.84 2qky n THR 440 Ca 0.00 -0.49 -0.40 0.00 -2.27 0.00 0.00 64.05 60.89 2qky n THR 440 Cb 0.00 1.10 0.03 0.00 -2.10 0.00 0.00 70.33 69.36 2qky n THR 440 CO 0.00 0.00 0.00 0.29 -0.57 0.00 0.00 175.07 174.79 2qky n LYS 441 N 0.16 4.46 -2.81 -0.78 4.76 0.14 -5.00 118.16 119.09 2qky n LYS 441 Ca 0.03 -4.28 -0.38 0.00 -2.87 0.00 0.00 58.31 50.81 2qky n LYS 441 Cb 0.13 -2.39 -0.06 0.00 -1.84 0.00 0.00 35.03 30.87 2qky n LYS 441 CO 0.00 0.00 0.00 0.08 -1.37 0.00 0.00 177.40 176.11 2qky s VAL 442 N -4.61 4.20 -0.11 -0.18 1.01 -1.26 -3.76 120.40 115.68 2qky s VAL 442 Ca 0.44 1.87 -0.02 0.00 0.00 0.00 0.00 61.98 64.27 2qky s VAL 442 Cb 0.28 -4.12 0.04 0.00 0.00 0.00 0.00 36.38 32.58 2qky s VAL 442 CO -0.23 0.29 0.02 -0.89 0.00 0.00 0.00 175.10 174.29 2qky s THR 443 N -1.43 0.37 -0.64 3.92 2.01 -0.64 -4.99 115.64 114.23 2qky s THR 443 Ca 0.46 -0.09 -0.27 0.00 0.31 0.00 0.00 61.69 62.10 2qky s THR 443 Cb -0.21 -0.67 0.03 0.00 0.01 0.00 0.00 72.50 71.66 2qky s THR 443 CO 0.27 0.08 1.20 0.00 -0.69 0.00 0.00 174.62 175.48 2qky n LEU 445 N 8.72 0.00 0.00 0.00 4.77 -0.41 -4.04 117.00 126.04 2qky n LEU 445 Ca 0.06 0.11 0.00 0.00 -0.03 0.00 0.00 56.01 56.14 2qky n LEU 445 Cb 0.49 -0.11 0.00 0.00 -2.33 0.00 0.00 43.42 41.47 2qky n LEU 445 CO 0.71 -0.02 -0.40 -1.54 -1.33 0.00 0.00 177.39 174.81 2qky n SER 446 N -1.11 3.88 0.00 -1.43 3.41 -1.22 -4.81 113.62 112.34 2qky n SER 446 Ca 0.16 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.77 2qky n SER 446 Cb 0.13 0.36 0.00 0.00 -0.26 0.00 0.00 64.21 64.43 2qky n SER 446 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2qky n GLU 448 N -2.04 0.89 -0.32 0.00 4.07 -1.26 -3.97 120.64 118.02 2qky n GLU 448 Ca 0.00 0.00 0.09 0.00 -0.06 0.00 0.00 57.16 57.19 2qky n GLU 448 Cb 0.00 -1.32 0.26 0.00 -0.06 0.00 0.00 31.44 30.32 2qky n GLU 448 CO 0.00 0.00 0.00 -0.07 -0.06 0.00 0.00 177.13 177.00 2qky h LEU 449 N 0.00 0.68 -5.06 4.31 3.38 -1.53 -3.38 115.31 113.71 2qky h LEU 449 Ca 0.00 0.09 0.02 0.00 0.09 0.00 0.00 57.88 58.08 2qky h LEU 449 Cb 0.00 -0.03 -0.16 0.00 0.09 0.00 0.00 40.66 40.56 2qky h LEU 449 CO 0.00 0.29 -0.15 0.21 0.09 0.00 0.00 178.44 178.87 2qky s ASN 450 N -5.47 -0.39 0.29 -0.43 3.84 -1.26 -5.05 114.94 106.47 2qky s ASN 450 Ca -0.12 -0.41 -0.01 0.00 0.21 0.00 0.00 52.86 52.54 2qky s ASN 450 Cb 0.23 0.51 0.46 0.00 -0.55 0.00 0.00 41.25 41.90 2qky s ASN 450 CO 0.79 -0.02 1.91 1.55 -2.79 0.00 0.00 177.10 178.54 2qky h PRO 451 N 4.56 1.08 0.62 0.43 0.13 -1.73 0.35 132.00 137.45 2qky h PRO 451 Ca -0.01 -0.07 -0.03 0.00 -0.87 0.00 0.00 66.00 65.03 2qky h PRO 451 Cb 1.18 -0.24 0.01 0.00 0.13 0.00 0.00 31.00 32.07 2qky h PRO 451 CO -0.09 0.72 -0.30 0.93 -0.23 0.00 0.00 178.00 179.02 2qky h GLU 452 N 1.11 -0.81 -0.03 0.86 5.08 -1.96 -3.34 114.58 115.50 2qky h GLU 452 Ca 0.40 0.06 -0.22 0.00 -1.00 0.00 0.00 59.36 58.59 2qky h GLU 452 Cb 0.14 0.18 0.00 0.00 0.50 0.00 0.00 28.75 29.58 2qky h GLU 452 CO -0.15 -0.54 -0.89 -0.09 -1.00 0.00 0.00 179.01 176.34 2qky h ARG 453 N -0.84 0.45 -6.05 2.33 2.43 -1.91 -3.44 114.38 107.35 2qky h ARG 453 Ca -0.09 -0.45 -0.68 0.00 -0.81 0.00 0.00 59.98 57.95 2qky h ARG 453 Cb 0.65 0.12 -0.25 0.00 -0.42 0.00 0.00 29.97 30.07 2qky h ARG 453 CO 0.14 1.10 -0.78 0.00 -1.51 0.00 0.00 179.97 178.92 2qky n GLN 455 N 2.67 0.00 -3.88 0.00 6.02 -0.38 -4.18 117.38 117.63 2qky n GLN 455 Ca -0.17 0.00 -0.30 0.00 -0.01 0.00 0.00 57.00 56.52 2qky n GLN 455 Cb 0.52 -0.02 -0.16 0.00 1.02 0.00 0.00 30.24 31.60 2qky n GLN 455 CO 0.00 0.00 0.00 -0.47 -1.01 0.00 0.00 177.06 175.58 2qky s TYR 456 N 0.00 2.01 0.21 1.08 6.14 -1.19 -1.52 117.35 124.09 2qky s TYR 456 Ca 0.00 -1.52 0.09 0.00 0.64 0.00 0.00 57.07 56.28 2qky s TYR 456 Cb 0.00 -1.44 -0.04 0.00 0.42 0.00 0.00 41.96 40.90 2qky s TYR 456 CO 0.00 -0.73 -0.06 0.71 0.64 0.00 0.00 175.55 176.11 2qky s TYR 457 N 1.52 2.66 0.04 4.97 2.02 -0.21 -1.97 117.35 126.39 2qky s TYR 457 Ca -0.04 -0.22 -0.05 0.00 -0.37 0.00 0.00 57.07 56.39 2qky s TYR 457 Cb -0.18 -1.25 -0.01 0.00 -0.40 0.00 0.00 41.96 40.11 2qky s TYR 457 CO -0.07 0.56 0.09 0.45 -1.57 0.00 0.00 175.55 175.01 2qky s SER 458 N -3.15 0.18 0.20 2.29 0.15 -0.37 -4.67 113.70 108.33 2qky s SER 458 Ca 0.27 -0.53 -0.00 0.00 0.70 0.00 0.00 55.95 56.39 2qky s SER 458 Cb -0.08 0.22 -0.04 0.00 -1.71 0.00 0.00 66.02 64.41 2qky s SER 458 CO 0.17 -0.50 0.10 0.54 1.20 0.00 0.00 173.24 174.76 2qky s VAL 459 N -2.55 0.15 -0.13 4.45 0.11 -1.26 0.75 120.40 121.91 2qky s VAL 459 Ca -0.05 -1.98 -0.06 0.00 -2.93 0.00 0.00 61.98 56.96 2qky s VAL 459 Cb -0.01 -2.42 0.06 0.00 -1.53 0.00 0.00 36.38 32.47 2qky s VAL 459 CO -0.04 -0.11 0.29 -0.55 -3.33 0.00 0.00 175.10 171.36 2qky s SER 460 N -3.17 -0.03 -0.09 3.54 0.15 -0.82 -4.97 113.70 108.31 2qky s SER 460 Ca 0.35 0.65 0.00 0.00 0.70 0.00 0.00 55.95 57.66 2qky s SER 460 Cb 0.07 0.68 -0.03 0.00 -1.71 0.00 0.00 66.02 65.04 2qky s SER 460 CO 0.10 -0.21 -0.07 -0.36 1.20 0.00 0.00 173.24 173.90 2qky s PHE 461 N 1.92 2.94 0.81 3.44 2.99 -1.26 -0.68 117.98 128.13 2qky s PHE 461 Ca -0.04 -0.08 -0.14 0.00 0.00 0.00 0.00 56.93 56.67 2qky s PHE 461 Cb -0.11 -1.76 0.20 0.00 0.00 0.00 0.00 43.02 41.35 2qky s PHE 461 CO -0.10 0.23 0.70 -1.13 -0.00 0.00 0.00 175.22 174.93 2qky n SER 462 N 2.54 -1.79 -0.39 1.36 3.41 -0.93 -4.80 113.62 113.02 2qky n SER 462 Ca -0.18 -0.92 -0.08 0.00 -0.26 0.00 0.00 58.87 57.43 2qky n SER 462 Cb 0.53 -0.65 -0.06 0.00 -0.26 0.00 0.00 64.21 63.76 2qky n SER 462 CO 0.00 0.00 0.00 0.29 -0.16 0.00 0.00 175.04 175.17 2qky n LYS 463 N -3.71 -0.37 -1.82 4.33 4.76 -1.17 -1.51 118.16 118.67 2qky n LYS 463 Ca 0.10 1.45 -0.30 0.00 -2.87 0.00 0.00 58.31 56.68 2qky n LYS 463 Cb 0.38 -2.13 0.04 0.00 -1.84 0.00 0.00 35.03 31.48 2qky n LYS 463 CO 0.00 0.00 0.00 0.39 -1.37 0.00 0.00 177.40 176.42 2qky n GLU 464 N -5.24 3.16 -3.08 1.97 -0.58 -1.26 -4.90 120.64 110.70 2qky n GLU 464 Ca 0.04 -3.82 -0.13 0.00 -0.42 0.00 0.00 57.16 52.83 2qky n GLU 464 Cb 0.28 -2.28 -0.02 0.00 -0.57 0.00 0.00 31.44 28.85 2qky n GLU 464 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 2qky n ALA 465 N -0.74 -1.05 0.13 0.62 0.00 -0.57 -4.76 120.51 114.14 2qky n ALA 465 Ca 0.51 -0.05 -0.13 0.00 0.00 0.00 0.00 53.44 53.77 2qky n ALA 465 Cb 0.73 -1.15 -0.08 0.00 0.00 0.00 0.00 19.45 18.95 2qky n ALA 465 CO 0.00 0.00 0.00 -0.22 0.00 0.00 0.00 177.50 177.28 2qky h LYS 466 N -0.27 -0.34 -5.93 0.00 3.64 -1.79 -3.40 116.57 108.48 2qky h LYS 466 Ca -0.18 0.02 -0.58 0.00 -1.27 0.00 0.00 60.65 58.64 2qky h LYS 466 Cb 1.12 0.08 -0.09 0.00 -0.41 0.00 0.00 32.23 32.92 2qky h LYS 466 CO 0.27 -0.02 -0.54 0.71 -2.27 0.00 0.00 179.45 177.60 2qky s TYR 467 N -4.65 2.59 -0.13 1.91 2.02 -1.26 0.78 117.35 118.61 2qky s TYR 467 Ca -0.14 -0.53 -0.25 0.00 -0.37 0.00 0.00 57.07 55.77 2qky s TYR 467 Cb 0.02 -1.78 0.06 0.00 -0.40 0.00 0.00 41.96 39.87 2qky s TYR 467 CO 0.56 0.31 0.62 1.52 -1.57 0.00 0.00 175.55 176.99 2qky s TYR 468 N -2.57 -0.62 -0.15 2.71 1.13 0.23 -2.19 117.35 115.90 2qky s TYR 468 Ca 0.38 1.28 -0.05 0.00 -1.41 0.00 0.00 57.07 57.28 2qky s TYR 468 Cb 0.03 0.30 -0.03 0.00 -1.10 0.00 0.00 41.96 41.15 2qky s TYR 468 CO 0.21 -0.47 0.02 -1.14 -2.51 0.00 0.00 175.55 171.66 2qky s GLN 469 N -0.56 3.60 -0.22 -3.49 0.74 0.14 0.33 119.66 120.21 2qky s GLN 469 Ca -0.07 -0.40 -0.07 0.00 0.05 0.00 0.00 55.36 54.87 2qky s GLN 469 Cb -0.02 -3.01 -0.03 0.00 1.10 0.00 0.00 33.01 31.04 2qky s GLN 469 CO 0.05 0.41 0.07 -0.51 -0.55 0.00 0.00 175.29 174.76 2qky s LEU 470 N -0.04 3.61 -0.52 3.68 1.43 0.17 -1.94 118.68 125.07 2qky s LEU 470 Ca 0.04 -0.08 -0.16 0.00 -1.03 0.00 0.00 54.13 52.91 2qky s LEU 470 Cb -0.13 -1.94 0.12 0.00 0.03 0.00 0.00 46.19 44.27 2qky s LEU 470 CO 0.02 0.06 0.47 -0.60 0.23 0.00 0.00 176.35 176.52 2qky s ARG 471 N 1.05 2.96 -0.41 1.70 3.52 0.23 -2.49 118.95 125.51 2qky s ARG 471 Ca 0.04 -1.63 -0.18 0.00 -0.13 0.00 0.00 55.73 53.84 2qky s ARG 471 Cb -0.14 -4.24 0.02 0.00 -1.56 0.00 0.00 34.95 29.03 2qky s ARG 471 CO 0.03 -1.25 0.48 0.00 -0.81 0.00 0.00 175.30 173.75 2qky n SER 473 N 5.73 4.63 0.00 0.00 3.41 -0.83 0.26 113.62 126.82 2qky n SER 473 Ca -0.06 -3.01 0.00 0.00 -0.26 0.00 0.00 58.87 55.54 2qky n SER 473 Cb 0.48 -0.61 0.00 0.00 -0.26 0.00 0.00 64.21 63.82 2qky n SER 473 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2qky n GLY 474 N -0.07 2.15 0.24 5.00 0.00 -1.26 -1.98 105.19 109.27 2qky n GLY 474 Ca 0.25 -1.19 0.15 0.00 0.00 0.00 0.00 46.02 45.24 2qky n GLY 474 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2qky h PRO 475 N 0.00 0.00 -7.38 1.61 0.13 -0.74 -1.00 132.00 124.62 2qky h PRO 475 Ca 0.00 0.00 -0.46 0.00 -0.87 0.00 0.00 66.00 64.67 2qky h PRO 475 Cb 0.00 0.00 0.10 0.00 0.13 0.00 0.00 31.00 31.23 2qky h PRO 475 CO 0.00 0.00 0.24 0.20 -0.23 0.00 0.00 178.00 178.21 2qky s GLY 476 N -4.11 1.74 0.40 1.56 0.00 -0.46 -4.48 107.32 101.97 2qky s GLY 476 Ca 0.03 -1.28 -0.26 0.00 0.00 0.00 0.00 44.72 43.21 2qky s GLY 476 CO 0.56 -0.72 1.20 1.04 0.00 0.00 0.00 173.10 175.18 2qky n LEU 477 N -3.13 3.50 -4.38 0.66 4.77 -1.26 -4.74 117.00 112.42 2qky n LEU 477 Ca 0.12 1.11 -0.41 0.00 -0.03 0.00 0.00 56.01 56.80 2qky n LEU 477 Cb 0.60 -1.45 0.01 0.00 -2.33 0.00 0.00 43.42 40.24 2qky n LEU 477 CO 0.47 -0.85 -0.16 -2.65 -1.33 0.00 0.00 177.39 172.87 2qky n PRO 478 N 0.19 0.31 -3.67 3.23 -0.02 -1.26 -4.76 135.00 129.02 2qky n PRO 478 Ca 0.07 0.11 -0.21 0.00 -2.02 0.00 0.00 63.50 61.45 2qky n PRO 478 Cb 0.38 -1.29 -0.18 0.00 -0.02 0.00 0.00 33.50 32.39 2qky n PRO 478 CO 0.00 0.00 0.00 -1.17 1.98 0.00 0.00 175.50 176.31 2qky s LEU 479 N 2.85 0.23 -0.18 2.45 2.96 0.14 -4.23 118.68 122.90 2qky s LEU 479 Ca 0.62 -0.06 -0.05 0.00 -0.22 0.00 0.00 54.13 54.42 2qky s LEU 479 Cb -0.61 -0.19 -0.03 0.00 0.50 0.00 0.00 46.19 45.86 2qky s LEU 479 CO 0.60 -0.26 -0.01 -0.31 -1.32 0.00 0.00 176.35 175.05 2qky s TYR 480 N 2.14 3.05 0.02 5.38 1.51 0.92 -1.30 117.35 129.06 2qky s TYR 480 Ca 0.04 -0.37 0.01 0.00 -1.01 0.00 0.00 57.07 55.74 2qky s TYR 480 Cb -0.13 -2.04 -0.01 0.00 -0.11 0.00 0.00 41.96 39.67 2qky s TYR 480 CO -0.04 -0.14 -0.04 0.95 -1.11 0.00 0.00 175.55 175.17 2qky s THR 481 N 0.73 0.25 -0.11 -0.71 -4.23 -1.04 0.54 115.64 111.08 2qky s THR 481 Ca -0.00 -0.64 -0.05 0.00 -1.18 0.00 0.00 61.69 59.82 2qky s THR 481 Cb -0.14 -0.31 -0.04 0.00 1.34 0.00 0.00 72.50 73.35 2qky s THR 481 CO 0.02 -0.25 0.08 -0.22 -0.54 0.00 0.00 174.62 173.71 2qky s LEU 482 N -0.94 4.04 0.25 4.79 2.96 -0.72 0.44 118.68 129.51 2qky s LEU 482 Ca -0.08 0.33 0.01 0.00 -0.22 0.00 0.00 54.13 54.17 2qky s LEU 482 Cb -0.06 -1.96 -0.05 0.00 0.50 0.00 0.00 46.19 44.61 2qky s LEU 482 CO -0.00 0.39 0.09 -1.00 -1.32 0.00 0.00 176.35 174.51 2qky s HIS 483 N -0.95 1.52 -0.04 5.38 3.76 1.00 -2.09 115.29 123.87 2qky s HIS 483 Ca 0.14 -1.16 0.05 0.00 -0.15 0.00 0.00 55.06 53.95 2qky s HIS 483 Cb -0.12 -0.89 -0.01 0.00 1.11 0.00 0.00 32.58 32.67 2qky s HIS 483 CO 0.03 -0.31 -0.20 -1.54 -0.85 0.00 0.00 174.74 171.87 2qky s SER 484 N -3.31 2.45 0.19 1.40 1.04 -1.06 0.77 113.70 115.19 2qky s SER 484 Ca 0.37 -0.40 -0.10 0.00 0.48 0.00 0.00 55.95 56.30 2qky s SER 484 Cb 0.08 -0.56 0.12 0.00 0.10 0.00 0.00 66.02 65.75 2qky s SER 484 CO 0.13 0.20 1.75 0.28 0.98 0.00 0.00 173.24 176.58 2qky h SER 485 N 6.02 0.98 -0.94 7.02 0.02 0.14 0.40 113.55 127.20 2qky h SER 485 Ca -0.34 -0.18 0.36 0.00 -0.84 0.00 0.00 61.79 60.79 2qky h SER 485 Cb 1.16 -0.25 -0.17 0.00 0.14 0.00 0.00 62.40 63.28 2qky h SER 485 CO 0.48 0.89 0.39 0.55 -1.14 0.00 0.00 176.83 178.00 2qky n VAL 486 N -4.36 -0.39 -1.50 2.27 3.14 -1.26 -3.50 118.33 112.73 2qky n VAL 486 Ca 0.05 1.95 0.00 0.00 -2.96 0.00 0.00 64.34 63.38 2qky n VAL 486 Cb 0.18 -3.08 0.00 0.00 -1.06 0.00 0.00 33.84 29.88 2qky n VAL 486 CO 0.00 0.00 0.00 0.59 -6.46 0.00 0.00 176.83 170.96 2qky n ASN 487 N -5.19 0.00 -3.19 6.55 3.02 -1.23 -5.04 115.26 110.17 2qky n ASN 487 Ca 0.32 -1.00 -0.15 0.00 -0.03 0.00 0.00 54.58 53.72 2qky n ASN 487 Cb 1.10 0.00 0.08 0.00 -0.61 0.00 0.00 39.78 40.34 2qky n ASN 487 CO 0.00 0.00 0.00 0.47 -2.62 0.00 0.00 177.26 175.11 2qky n ASP 488 N 0.00 -3.31 -4.72 6.41 10.43 0.13 -5.00 116.55 120.49 2qky n ASP 488 Ca 0.00 -0.59 -0.35 0.00 2.57 0.00 0.00 54.79 56.41 2qky n ASP 488 Cb 0.45 -4.78 -0.09 0.00 1.84 0.00 0.00 41.12 38.54 2qky n ASP 488 CO 0.00 0.00 0.00 -0.54 -1.07 0.00 0.00 177.20 175.59 2qky s LYS 489 N -4.96 3.62 -1.37 -1.24 1.02 -1.23 -4.93 119.74 110.66 2qky s LYS 489 Ca 0.13 -0.29 -0.15 0.00 0.02 0.00 0.00 55.97 55.68 2qky s LYS 489 Cb -0.02 -3.12 0.08 0.00 -0.52 0.00 0.00 37.83 34.25 2qky s LYS 489 CO 0.67 0.51 1.96 0.41 -0.92 0.00 0.00 175.35 177.99 2qky n GLY 490 N 2.80 3.82 0.00 -3.33 0.00 -1.26 -2.57 105.19 104.65 2qky n GLY 490 Ca -0.18 -1.66 0.00 0.00 0.00 0.00 0.00 46.02 44.18 2qky n GLY 490 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 2qky n LEU 491 N 6.46 0.00 -3.83 0.99 4.77 -0.89 -4.78 117.00 119.72 2qky n LEU 491 Ca 0.48 0.25 -0.08 0.00 -0.03 0.00 0.00 56.01 56.63 2qky n LEU 491 Cb 0.41 -0.12 0.00 0.00 -2.33 0.00 0.00 43.42 41.39 2qky n LEU 491 CO 0.83 -0.12 0.50 0.00 -1.33 0.00 0.00 177.39 177.27 2qky s ARG 492 N -2.76 2.03 -0.25 3.23 1.70 -1.22 -5.03 118.95 116.65 2qky s ARG 492 Ca 0.00 -1.23 -0.10 0.00 -0.47 0.00 0.00 55.73 53.92 2qky s ARG 492 Cb 0.00 0.62 -0.05 0.00 -0.57 0.00 0.00 34.95 34.95 2qky s ARG 492 CO 0.00 -0.94 0.15 0.08 -1.08 0.00 0.00 175.30 173.51 2qky s VAL 493 N -3.05 5.20 -0.02 4.99 1.01 -1.26 -1.75 120.40 125.51 2qky s VAL 493 Ca 0.13 0.12 0.04 0.00 0.00 0.00 0.00 61.98 62.28 2qky s VAL 493 Cb -0.06 -3.43 -0.25 0.00 0.00 0.00 0.00 36.38 32.65 2qky s VAL 493 CO 0.09 0.33 0.76 -0.07 0.00 0.00 0.00 175.10 176.22 2qky h LEU 494 N 7.73 0.18 -7.06 3.92 3.38 -0.26 -3.48 115.31 119.72 2qky h LEU 494 Ca -0.37 -0.31 -0.06 0.00 0.09 0.00 0.00 57.88 57.24 2qky h LEU 494 Cb 1.18 -0.06 -0.21 0.00 0.09 0.00 0.00 40.66 41.65 2qky h LEU 494 CO 0.63 1.26 0.06 -0.70 0.09 0.00 0.00 178.44 179.78 2qky s GLU 495 N -2.61 0.78 -0.01 1.13 2.56 -0.87 -4.98 118.70 114.70 2qky s GLU 495 Ca -0.08 0.89 0.02 0.00 0.00 0.00 0.00 54.97 55.80 2qky s GLU 495 Cb 0.08 0.38 0.03 0.00 2.00 0.00 0.00 34.13 36.61 2qky s GLU 495 CO 0.82 -0.10 0.80 -0.40 -0.56 0.00 0.00 175.26 175.83 2qky n ASP 496 N 2.66 0.41 -2.70 -1.70 5.75 -1.26 -0.06 116.55 119.65 2qky n ASP 496 Ca -0.14 -1.68 -0.05 0.00 -0.01 0.00 0.00 54.79 52.91 2qky n ASP 496 Cb 0.55 -0.12 -0.01 0.00 -1.03 0.00 0.00 41.12 40.52 2qky n ASP 496 CO 0.00 0.00 0.00 0.59 -0.11 0.00 0.00 177.20 177.68 2qky n ASN 497 N -0.18 -1.30 -0.24 -1.12 3.02 -1.26 -4.76 115.26 109.41 2qky n ASN 497 Ca 0.01 0.30 0.03 0.00 -0.03 0.00 0.00 54.58 54.89 2qky n ASN 497 Cb 0.57 -1.23 0.15 0.00 -0.61 0.00 0.00 39.78 38.65 2qky n ASN 497 CO 0.00 0.00 0.00 0.77 -2.62 0.00 0.00 177.26 175.41 2qky h SER 498 N -0.10 0.38 0.00 6.41 4.64 -1.95 -0.37 113.55 122.56 2qky h SER 498 Ca -0.08 0.08 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 2qky h SER 498 Cb 1.06 0.03 0.00 0.00 -0.31 0.00 0.00 62.40 63.17 2qky h SER 498 CO 0.12 0.20 0.00 0.00 -0.87 0.00 0.00 176.83 176.27 2qky n ALA 499 N -2.45 -0.19 -0.10 5.18 0.00 -1.26 -0.93 120.51 120.76 2qky n ALA 499 Ca 0.12 0.00 -0.03 0.00 0.00 0.00 0.00 53.44 53.53 2qky n ALA 499 Cb 0.32 0.25 -0.02 0.00 0.00 0.00 0.00 19.45 20.00 2qky n ALA 499 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 177.50 177.39 2qky n LEU 500 N -2.26 -0.25 -0.09 0.00 7.94 -1.00 -0.88 117.00 120.46 2qky n LEU 500 Ca 0.00 1.00 -0.02 0.00 -1.11 0.00 0.00 56.01 55.88 2qky n LEU 500 Cb 0.00 -0.34 -0.02 0.00 0.53 0.00 0.00 43.42 43.58 2qky n LEU 500 CO 0.00 -0.63 0.24 -0.67 -1.11 0.00 0.00 177.39 175.22 2qky n ASP 501 N -3.45 -0.22 -0.35 1.96 2.03 -0.18 0.13 116.55 116.47 2qky n ASP 501 Ca 0.00 0.65 0.27 0.00 0.52 0.00 0.00 54.79 56.23 2qky n ASP 501 Cb 0.06 -0.19 0.55 0.00 -0.72 0.00 0.00 41.12 40.82 2qky n ASP 501 CO 0.00 0.00 0.00 0.50 -1.92 0.00 0.00 177.20 175.78 2qky h LYS 502 N 0.00 0.29 0.36 -0.67 3.64 0.87 -1.18 116.57 119.89 2qky h LYS 502 Ca 0.03 -0.02 -0.02 0.00 -1.27 0.00 0.00 60.65 59.38 2qky h LYS 502 Cb 0.08 -0.07 0.00 0.00 -0.41 0.00 0.00 32.23 31.84 2qky h LYS 502 CO -0.19 0.19 -0.17 0.52 -2.27 0.00 0.00 179.45 177.53 2qky h MET 503 N 0.30 -0.47 0.00 1.90 2.86 0.15 -3.29 114.93 116.39 2qky h MET 503 Ca 0.64 0.03 0.00 0.00 -2.06 0.00 0.00 59.70 58.32 2qky h MET 503 Cb 1.78 0.11 0.00 0.00 0.06 0.00 0.00 31.60 33.55 2qky h MET 503 CO -0.31 -0.23 0.31 1.28 1.06 0.00 0.00 176.91 179.01 2qky n LEU 504 N -5.10 0.16 -0.05 1.22 4.77 -0.46 0.22 117.00 117.77 2qky n LEU 504 Ca -0.07 0.40 0.14 0.00 -0.03 0.00 0.00 56.01 56.45 2qky n LEU 504 Cb 0.23 -0.36 0.56 0.00 -2.33 0.00 0.00 43.42 41.53 2qky n LEU 504 CO 0.19 -0.46 0.84 0.00 -1.33 0.00 0.00 177.39 176.63 2qky n GLN 505 N -1.68 0.34 0.00 3.23 10.64 -0.95 -3.05 117.38 125.91 2qky n GLN 505 Ca -0.00 -0.10 0.10 0.00 -1.83 0.00 0.00 57.00 55.17 2qky n GLN 505 Cb 0.32 -1.50 0.00 0.00 -0.86 0.00 0.00 30.24 28.20 2qky n GLN 505 CO 0.00 0.00 0.00 0.09 -1.83 0.00 0.00 177.06 175.32 2qky n ASN 506 N -1.25 2.00 -4.24 2.61 3.02 0.13 -4.91 115.26 112.63 2qky n ASN 506 Ca 0.11 -1.50 -0.30 0.00 -0.03 0.00 0.00 54.58 52.85 2qky n ASN 506 Cb 0.30 0.45 -0.16 0.00 -0.61 0.00 0.00 39.78 39.76 2qky n ASN 506 CO 0.00 0.00 0.00 0.54 -2.62 0.00 0.00 177.26 175.18 2qky s VAL 507 N -2.32 1.92 -1.19 2.41 0.11 -1.17 -3.91 120.40 116.24 2qky s VAL 507 Ca 0.18 -0.99 -0.22 0.00 -2.93 0.00 0.00 61.98 58.02 2qky s VAL 507 Cb 0.17 -1.63 -0.07 0.00 -1.53 0.00 0.00 36.38 33.32 2qky s VAL 507 CO 0.52 0.54 1.91 0.00 -3.33 0.00 0.00 175.10 174.74 2qky n GLN 508 N 3.00 1.83 -1.66 1.54 6.02 -0.83 -4.89 117.38 122.39 2qky n GLN 508 Ca -0.18 -2.57 -0.33 0.00 -0.01 0.00 0.00 57.00 53.91 2qky n GLN 508 Cb 0.52 -3.67 0.06 0.00 1.02 0.00 0.00 30.24 28.17 2qky n GLN 508 CO 0.00 0.00 0.00 -1.64 -1.01 0.00 0.00 177.06 174.41 2qky s MET 509 N 6.09 2.61 1.00 -1.09 -1.94 -1.26 -4.51 119.30 120.20 2qky s MET 509 Ca 0.66 1.48 -0.16 0.00 -1.71 0.00 0.00 55.69 55.97 2qky s MET 509 Cb 0.01 -1.92 0.20 0.00 2.01 0.00 0.00 34.83 35.12 2qky s MET 509 CO 0.13 -1.41 1.21 -1.25 -0.01 0.00 0.00 175.02 173.68 2qky s PRO 510 N -4.05 0.41 0.20 2.03 0.04 -1.26 -4.30 135.00 128.06 2qky s PRO 510 Ca 0.69 -0.10 0.11 0.00 0.04 0.00 0.00 61.00 61.74 2qky s PRO 510 Cb -0.23 -1.79 -0.04 0.00 0.04 0.00 0.00 34.50 32.48 2qky s PRO 510 CO 0.43 -2.62 -0.20 -1.54 0.04 0.00 0.00 177.00 173.11 2qky s SER 511 N -4.39 3.65 0.05 6.66 1.04 0.28 -4.90 113.70 116.09 2qky s SER 511 Ca 0.70 -0.82 0.08 0.00 0.48 0.00 0.00 55.95 56.38 2qky s SER 511 Cb -0.09 -0.37 -0.03 0.00 0.10 0.00 0.00 66.02 65.63 2qky s SER 511 CO 0.53 0.10 -0.19 -0.75 0.98 0.00 0.00 173.24 173.92 2qky s LYS 512 N -2.84 2.01 -0.08 4.02 2.20 -1.26 0.26 119.74 124.05 2qky s LYS 512 Ca 0.23 -1.02 -0.01 0.00 -0.36 0.00 0.00 55.97 54.81 2qky s LYS 512 Cb -0.08 -2.15 0.03 0.00 -1.51 0.00 0.00 37.83 34.12 2qky s LYS 512 CO 0.12 0.53 -0.01 0.21 -0.36 0.00 0.00 175.35 175.84 2qky s LYS 513 N -1.47 0.73 -0.34 4.03 2.20 -0.80 -4.96 119.74 119.13 2qky s LYS 513 Ca 0.14 0.05 -0.02 0.00 -0.36 0.00 0.00 55.97 55.78 2qky s LYS 513 Cb -0.10 -1.04 0.07 0.00 -1.51 0.00 0.00 37.83 35.25 2qky s LYS 513 CO 0.05 -0.29 0.08 -1.17 -0.36 0.00 0.00 175.35 173.67 2qky s LEU 514 N 1.88 4.47 0.00 5.43 2.96 -1.26 -1.22 118.68 130.93 2qky s LEU 514 Ca 0.04 -1.58 0.01 0.00 -0.22 0.00 0.00 54.13 52.37 2qky s LEU 514 Cb -0.12 -1.76 -0.00 0.00 0.50 0.00 0.00 46.19 44.80 2qky s LEU 514 CO -0.05 -0.37 0.02 -0.67 -1.32 0.00 0.00 176.35 173.95 2qky n ASP 515 N 4.61 0.11 -2.93 3.68 -0.08 -0.89 -5.00 116.55 116.05 2qky n ASP 515 Ca -0.08 -1.16 -0.14 0.00 -1.51 0.00 0.00 54.79 51.90 2qky n ASP 515 Cb 0.43 0.11 -0.03 0.00 2.34 0.00 0.00 41.12 43.97 2qky n ASP 515 CO 0.00 0.00 0.00 2.22 0.12 0.00 0.00 177.20 179.54 2qky n PHE 516 N -0.05 -1.43 -3.79 -0.67 -1.74 -1.26 -1.43 117.46 107.08 2qky n PHE 516 Ca 0.00 -2.27 -0.14 0.00 -0.56 0.00 0.00 57.45 54.48 2qky n PHE 516 Cb 0.04 0.54 -0.16 0.00 1.52 0.00 0.00 39.48 41.43 2qky n PHE 516 CO 0.00 0.00 0.00 0.96 -0.56 0.00 0.00 176.76 177.16 2qky s ILE 517 N -2.79 -0.04 -0.34 1.97 -4.36 -0.61 -4.97 121.20 110.05 2qky s ILE 517 Ca 0.28 0.18 -0.26 0.00 -0.26 0.00 0.00 60.65 60.58 2qky s ILE 517 Cb -0.01 -0.07 0.01 0.00 1.25 0.00 0.00 42.46 43.64 2qky s ILE 517 CO 0.20 0.07 0.94 -0.63 0.24 0.00 0.00 174.94 175.76 2qky s ILE 518 N 0.87 4.61 -0.14 8.37 1.01 -1.26 -1.80 121.20 132.86 2qky s ILE 518 Ca -0.07 1.34 0.02 0.00 0.00 0.00 0.00 60.65 61.94 2qky s ILE 518 Cb -0.11 -4.32 0.02 0.00 0.01 0.00 0.00 42.46 38.06 2qky s ILE 518 CO -0.02 -0.46 -0.19 -0.76 0.00 0.00 0.00 174.94 173.51 2qky s LEU 519 N 3.41 1.95 -1.55 2.97 1.43 0.47 -4.65 118.68 122.70 2qky s LEU 519 Ca 0.39 -0.55 -0.04 0.00 -1.03 0.00 0.00 54.13 52.89 2qky s LEU 519 Cb -0.12 -1.32 0.01 0.00 0.03 0.00 0.00 46.19 44.78 2qky s LEU 519 CO 0.16 0.03 0.52 0.59 0.23 0.00 0.00 176.35 177.87 2qky n ASN 520 N 4.33 -5.83 0.00 2.29 3.02 -1.26 -0.32 115.26 117.49 2qky n ASN 520 Ca -0.19 -0.26 0.00 0.00 -0.03 0.00 0.00 54.58 54.10 2qky n ASN 520 Cb 0.51 -4.74 0.00 0.00 -0.61 0.00 0.00 39.78 34.94 2qky n ASN 520 CO 0.00 0.00 0.00 -0.62 -2.62 0.00 0.00 177.26 174.02 2qky n GLU 521 N -3.87 -0.49 -4.86 3.52 1.02 -1.26 -4.98 120.64 109.73 2qky n GLU 521 Ca -0.12 0.12 -0.33 0.00 -0.02 0.00 0.00 57.16 56.81 2qky n GLU 521 Cb 0.62 -3.55 -0.14 0.00 -0.02 0.00 0.00 31.44 28.35 2qky n GLU 521 CO 0.00 0.00 0.00 0.99 1.18 0.00 0.00 177.13 179.30 2qky s THR 522 N -2.05 2.99 0.10 2.62 2.01 0.56 -5.07 115.64 116.79 2qky s THR 522 Ca 0.00 -0.71 -0.17 0.00 0.31 0.00 0.00 61.69 61.12 2qky s THR 522 Cb 0.00 -2.21 -0.07 0.00 0.01 0.00 0.00 72.50 70.23 2qky s THR 522 CO 0.00 0.55 0.54 -1.59 -0.69 0.00 0.00 174.62 173.44 2qky s LYS 523 N -0.10 4.07 -0.07 4.92 -2.85 -1.26 0.18 119.74 124.62 2qky s LYS 523 Ca -0.02 0.59 0.03 0.00 -1.00 0.00 0.00 55.97 55.57 2qky s LYS 523 Cb -0.14 -3.10 0.01 0.00 -2.06 0.00 0.00 37.83 32.55 2qky s LYS 523 CO 0.04 0.57 -0.14 -0.06 0.10 0.00 0.00 175.35 175.86 2qky s PHE 524 N -1.27 1.60 0.44 1.78 0.40 -0.74 -4.93 117.98 115.26 2qky s PHE 524 Ca 0.32 -0.59 -0.02 0.00 -0.60 0.00 0.00 56.93 56.04 2qky s PHE 524 Cb -0.17 -1.14 -0.02 0.00 0.51 0.00 0.00 43.02 42.19 2qky s PHE 524 CO 0.18 -0.28 0.70 -1.58 0.70 0.00 0.00 175.22 174.94 2qky s TRP 525 N 0.57 3.44 0.21 0.36 0.52 -1.25 -1.57 118.94 121.21 2qky s TRP 525 Ca -0.14 0.52 -0.13 0.00 0.02 0.00 0.00 56.10 56.37 2qky s TRP 525 Cb -0.16 -2.22 0.00 0.00 -1.15 0.00 0.00 33.47 29.95 2qky s TRP 525 CO 0.04 -0.22 0.44 1.52 0.02 0.00 0.00 176.95 178.75 2qky s TYR 526 N -2.59 0.22 -0.02 -1.98 -0.85 -0.52 -2.09 117.35 109.52 2qky s TYR 526 Ca 0.46 -0.58 -0.05 0.00 -0.52 0.00 0.00 57.07 56.38 2qky s TYR 526 Cb -0.10 0.19 0.00 0.00 0.38 0.00 0.00 41.96 42.43 2qky s TYR 526 CO 0.41 -0.90 0.12 1.14 -1.52 0.00 0.00 175.55 174.80 2qky s GLN 527 N -3.96 0.30 -0.05 -3.49 -2.07 -1.03 -2.11 119.66 107.25 2qky s GLN 527 Ca 0.17 -0.14 0.03 0.00 -1.82 0.00 0.00 55.36 53.61 2qky s GLN 527 Cb 0.00 0.13 0.00 0.00 -1.09 0.00 0.00 33.01 32.06 2qky s GLN 527 CO 0.03 -0.06 -0.15 -1.64 -1.32 0.00 0.00 175.29 172.15 2qky s MET 528 N -0.68 1.69 -0.40 9.60 -1.94 -0.36 -2.64 119.30 124.57 2qky s MET 528 Ca -0.08 -0.51 -0.20 0.00 -1.71 0.00 0.00 55.69 53.19 2qky s MET 528 Cb -0.05 -1.44 0.01 0.00 2.01 0.00 0.00 34.83 35.37 2qky s MET 528 CO 0.01 0.16 0.62 0.42 -0.01 0.00 0.00 175.02 176.21 2qky s ILE 529 N 0.26 4.88 0.21 2.53 -1.09 0.42 -1.91 121.20 126.51 2qky s ILE 529 Ca -0.08 0.26 0.00 0.00 -2.23 0.00 0.00 60.65 58.61 2qky s ILE 529 Cb -0.13 -4.13 -0.04 0.00 -1.58 0.00 0.00 42.46 36.58 2qky s ILE 529 CO 0.03 -0.46 0.39 -0.76 -1.23 0.00 0.00 174.94 172.91 2qky s LEU 530 N 2.71 4.23 0.96 2.97 1.43 0.73 -3.06 118.68 128.65 2qky s LEU 530 Ca 0.22 0.35 -0.15 0.00 -1.03 0.00 0.00 54.13 53.52 2qky s LEU 530 Cb -0.14 -3.12 0.18 0.00 0.03 0.00 0.00 46.19 43.13 2qky s LEU 530 CO 0.17 -0.06 1.21 -2.84 0.23 0.00 0.00 176.35 175.06 2qky s PRO 531 N -3.46 0.71 0.75 1.29 0.02 -1.26 0.98 135.00 134.03 2qky s PRO 531 Ca 0.38 -0.06 -0.11 0.00 0.02 0.00 0.00 61.00 61.22 2qky s PRO 531 Cb -0.11 -1.82 0.04 0.00 0.02 0.00 0.00 34.50 32.63 2qky s PRO 531 CO 0.30 -2.42 1.08 -2.14 -0.33 0.00 0.00 177.00 173.48 2qky s PRO 532 N -5.58 2.49 -0.81 5.54 0.02 -1.26 -3.02 135.00 132.37 2qky s PRO 532 Ca 0.68 0.80 0.00 0.00 0.02 0.00 0.00 61.00 62.50 2qky s PRO 532 Cb -0.09 -1.95 0.00 0.00 0.02 0.00 0.00 34.50 32.48 2qky s PRO 532 CO 0.53 -1.38 0.00 0.72 -0.33 0.00 0.00 177.00 176.54 2qky n HIS 533 N -3.29 -0.54 -1.38 6.54 8.25 -1.26 -4.72 115.22 118.81 2qky n HIS 533 Ca 0.07 0.00 -0.60 0.00 -0.26 0.00 0.00 57.72 56.93 2qky n HIS 533 Cb 0.55 -1.91 -0.11 0.00 1.12 0.00 0.00 29.99 29.64 2qky n HIS 533 CO 0.00 0.00 0.00 0.34 0.64 0.00 0.00 176.34 177.32 2qky n PHE 534 N -1.48 1.36 -3.55 4.41 7.35 -1.17 -4.86 117.46 119.52 2qky n PHE 534 Ca -0.08 0.78 -0.41 0.00 -0.76 0.00 0.00 57.45 56.98 2qky n PHE 534 Cb 0.27 -2.31 -0.09 0.00 0.35 0.00 0.00 39.48 37.70 2qky n PHE 534 CO 0.00 0.00 0.00 0.34 -0.76 0.00 0.00 176.76 176.34 2qky s ASP 535 N 5.48 5.76 0.06 -2.13 3.68 -1.26 -4.96 116.67 123.29 2qky s ASP 535 Ca 1.15 -1.54 0.03 0.00 2.13 0.00 0.00 52.55 54.32 2qky s ASP 535 Cb -1.41 -2.03 0.19 0.00 -1.45 0.00 0.00 42.92 38.21 2qky s ASP 535 CO 0.67 -0.59 1.05 2.29 0.13 0.00 0.00 175.17 178.72 2qky n LYS 536 N 4.98 0.02 -0.08 4.34 2.85 -1.26 -1.12 118.16 127.88 2qky n LYS 536 Ca -0.10 0.47 0.04 0.00 -1.05 0.00 0.00 58.31 57.67 2qky n LYS 536 Cb 0.43 -1.64 0.14 0.00 -0.65 0.00 0.00 35.03 33.30 2qky n LYS 536 CO 0.00 0.00 0.00 -1.13 -0.05 0.00 0.00 177.40 176.22 2qky n SER 537 N -1.57 0.94 -4.72 -5.58 3.41 -1.26 -4.41 113.62 100.42 2qky n SER 537 Ca -0.00 -1.94 -0.33 0.00 -0.26 0.00 0.00 58.87 56.34 2qky n SER 537 Cb 0.07 -0.11 -0.07 0.00 -0.26 0.00 0.00 64.21 63.84 2qky n SER 537 CO 0.00 0.00 0.00 -0.54 -0.16 0.00 0.00 175.04 174.34 2qky s LYS 538 N -1.78 2.21 -0.31 4.33 1.02 -0.28 -5.07 119.74 119.86 2qky s LYS 538 Ca 0.15 -2.43 -0.01 0.00 0.02 0.00 0.00 55.97 53.69 2qky s LYS 538 Cb 0.08 -1.43 0.06 0.00 -0.52 0.00 0.00 37.83 36.01 2qky s LYS 538 CO 0.10 -0.42 0.02 0.15 -0.92 0.00 0.00 175.35 174.28 2qky s LYS 539 N -3.88 2.30 -0.15 1.68 -0.14 -1.26 -4.10 119.74 114.19 2qky s LYS 539 Ca 0.03 -1.38 -0.08 0.00 -1.36 0.00 0.00 55.97 53.18 2qky s LYS 539 Cb 0.00 -3.21 -0.04 0.00 -1.68 0.00 0.00 37.83 32.90 2qky s LYS 539 CO 0.02 -0.69 0.13 0.71 -0.76 0.00 0.00 175.35 174.76 2qky s TYR 540 N 1.20 3.53 0.69 3.18 2.02 -0.12 -4.70 117.35 123.16 2qky s TYR 540 Ca -0.03 0.46 -0.12 0.00 -0.37 0.00 0.00 57.07 57.01 2qky s TYR 540 Cb -0.20 -2.01 0.01 0.00 -0.40 0.00 0.00 41.96 39.36 2qky s TYR 540 CO -0.02 0.59 1.08 -1.25 -1.57 0.00 0.00 175.55 174.37 2qky s PRO 541 N -0.58 2.79 0.01 -1.71 0.04 -1.26 -1.09 135.00 133.20 2qky s PRO 541 Ca 0.13 1.13 0.04 0.00 0.04 0.00 0.00 61.00 62.33 2qky s PRO 541 Cb -0.12 -1.96 -0.01 0.00 0.04 0.00 0.00 34.50 32.44 2qky s PRO 541 CO 0.02 -1.23 -0.11 -1.17 0.04 0.00 0.00 177.00 174.55 2qky s LEU 542 N -5.35 2.09 -0.18 -3.56 0.20 0.96 -2.00 118.68 110.85 2qky s LEU 542 Ca 0.61 -0.31 0.01 0.00 0.69 0.00 0.00 54.13 55.14 2qky s LEU 542 Cb -0.16 -0.53 0.02 0.00 -0.43 0.00 0.00 46.19 45.09 2qky s LEU 542 CO 0.50 0.07 -0.19 -0.22 -0.29 0.00 0.00 176.35 176.21 2qky s LEU 543 N -0.65 2.18 -0.34 -0.68 2.96 0.98 -0.83 118.68 122.31 2qky s LEU 543 Ca 0.02 -0.63 -0.21 0.00 -0.22 0.00 0.00 54.13 53.09 2qky s LEU 543 Cb -0.06 -1.49 -0.00 0.00 0.50 0.00 0.00 46.19 45.14 2qky s LEU 543 CO 0.00 0.01 0.66 -0.22 -1.32 0.00 0.00 176.35 175.48 2qky s LEU 544 N 1.24 4.19 -0.43 -0.68 2.96 -0.56 -0.65 118.68 124.76 2qky s LEU 544 Ca 0.04 0.30 -0.24 0.00 -0.22 0.00 0.00 54.13 54.00 2qky s LEU 544 Cb -0.13 -2.84 0.02 0.00 0.50 0.00 0.00 46.19 43.74 2qky s LEU 544 CO -0.11 -0.57 0.84 -0.62 -1.32 0.00 0.00 176.35 174.57 2qky s ASP 545 N 1.74 6.50 0.04 3.68 -1.08 -1.14 -2.42 116.67 123.98 2qky s ASP 545 Ca 0.26 0.13 0.08 0.00 -0.52 0.00 0.00 52.55 52.51 2qky s ASP 545 Cb -0.14 -2.42 -0.03 0.00 -1.46 0.00 0.00 42.92 38.87 2qky s ASP 545 CO 0.14 -0.91 -0.24 0.54 0.52 0.00 0.00 175.17 175.22 2qky s VAL 546 N 3.42 1.91 0.00 1.11 0.11 -1.05 -4.12 120.40 121.77 2qky s VAL 546 Ca 0.33 -1.28 0.00 0.00 -2.93 0.00 0.00 61.98 58.10 2qky s VAL 546 Cb -0.12 -1.64 0.00 0.00 -1.53 0.00 0.00 36.38 33.09 2qky s VAL 546 CO 0.22 0.31 0.00 0.00 -3.33 0.00 0.00 175.10 172.30 2qky n TYR 547 N 1.86 0.00 -2.35 1.54 9.36 -1.26 -4.18 117.16 122.12 2qky n TYR 547 Ca -0.17 0.00 -0.03 0.00 3.32 0.00 0.00 57.90 61.02 2qky n TYR 547 Cb 0.53 0.17 -0.00 0.00 -0.63 0.00 0.00 39.34 39.41 2qky n TYR 547 CO 0.00 0.00 0.00 0.00 0.22 0.00 0.00 176.86 177.08 2qky n ALA 548 N -2.67 -0.86 -1.94 2.98 0.00 -1.26 -3.08 120.51 113.68 2qky n ALA 548 Ca 0.00 0.02 -0.28 0.00 0.00 0.00 0.00 53.44 53.19 2qky n ALA 548 Cb 0.29 -0.71 0.14 0.00 0.00 0.00 0.00 19.45 19.18 2qky n ALA 548 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.50 177.70 2qky s GLY 549 N -1.93 1.74 0.07 0.00 0.00 -1.26 -4.92 107.32 101.02 2qky s GLY 549 Ca 0.00 -1.21 -0.31 0.00 0.00 0.00 0.00 44.72 43.20 2qky s GLY 549 CO 0.00 -0.56 1.35 2.56 0.00 0.00 0.00 173.10 176.45 2qky s PRO 550 N -5.63 4.33 -1.29 2.90 0.04 -1.26 -2.93 135.00 131.17 2qky s PRO 550 Ca 0.69 1.98 0.00 0.00 0.04 0.00 0.00 61.00 63.71 2qky s PRO 550 Cb -0.06 -3.35 0.00 0.00 0.04 0.00 0.00 34.50 31.13 2qky s PRO 550 CO 0.50 -0.43 0.00 0.00 0.04 0.00 0.00 177.00 177.10 2qky s SER 552 N -2.46 4.74 -0.30 0.00 1.04 -1.15 -4.22 113.70 111.35 2qky s SER 552 Ca 0.00 -0.09 -0.01 0.00 0.48 0.00 0.00 55.95 56.33 2qky s SER 552 Cb 0.00 -0.52 0.19 0.00 0.10 0.00 0.00 66.02 65.79 2qky s SER 552 CO 0.00 -1.57 0.65 -1.58 0.98 0.00 0.00 173.24 171.72 2qky s GLN 553 N -5.03 0.52 -0.00 4.02 0.74 -1.26 -1.55 119.66 117.09 2qky s GLN 553 Ca 0.62 0.85 0.17 0.00 0.05 0.00 0.00 55.36 57.05 2qky s GLN 553 Cb -0.08 0.46 -0.20 0.00 1.10 0.00 0.00 33.01 34.29 2qky s GLN 553 CO 0.42 -0.65 0.67 1.63 -0.55 0.00 0.00 175.29 176.82 2qky n LYS 554 N 5.43 1.24 -3.55 1.67 4.76 -1.26 -4.81 118.16 121.63 2qky n LYS 554 Ca -0.00 -0.02 -0.41 0.00 -2.87 0.00 0.00 58.31 55.00 2qky n LYS 554 Cb 0.52 -1.32 -0.08 0.00 -1.84 0.00 0.00 35.03 32.31 2qky n LYS 554 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 2qky s ALA 555 N -2.70 3.50 0.00 7.82 0.00 -1.26 -4.85 121.76 124.26 2qky s ALA 555 Ca 0.04 -2.72 0.00 0.00 0.00 0.00 0.00 51.96 49.29 2qky s ALA 555 Cb 0.13 -2.89 0.00 0.00 0.00 0.00 0.00 23.12 20.36 2qky s ALA 555 CO 0.71 -1.97 0.00 -0.40 0.00 0.00 0.00 175.76 174.09 2qky n ASP 556 N 4.62 0.07 -1.44 0.00 5.68 -1.26 -4.52 116.55 119.70 2qky n ASP 556 Ca -0.04 -0.72 0.11 0.00 -0.50 0.00 0.00 54.79 53.65 2qky n ASP 556 Cb 0.41 0.00 0.34 0.00 -1.14 0.00 0.00 41.12 40.73 2qky n ASP 556 CO 0.00 0.00 0.00 0.35 -1.33 0.00 0.00 177.20 176.22 2qky n THR 557 N 0.00 1.28 -2.34 2.12 -2.24 -1.04 -4.95 114.28 107.12 2qky n THR 557 Ca 0.00 -1.07 -0.32 0.00 -2.27 0.00 0.00 64.05 60.39 2qky n THR 557 Cb 0.00 0.38 -0.03 0.00 -2.10 0.00 0.00 70.33 68.58 2qky n THR 557 CO 0.00 0.00 0.00 -0.69 -0.57 0.00 0.00 175.07 173.81 2qky s VAL 558 N -1.28 4.42 -0.12 2.28 1.01 -1.26 -2.03 120.40 123.42 2qky s VAL 558 Ca 0.50 1.16 -0.12 0.00 0.00 0.00 0.00 61.98 63.52 2qky s VAL 558 Cb 0.28 -3.67 -0.05 0.00 0.00 0.00 0.00 36.38 32.95 2qky s VAL 558 CO 0.31 -0.66 0.26 0.12 0.00 0.00 0.00 175.10 175.13 2qky s PHE 559 N -2.60 3.56 0.02 5.22 5.36 -0.84 -4.86 117.98 123.84 2qky s PHE 559 Ca 0.60 0.64 0.01 0.00 -0.96 0.00 0.00 56.93 57.22 2qky s PHE 559 Cb -0.11 -2.20 -0.02 0.00 -0.34 0.00 0.00 43.02 40.35 2qky s PHE 559 CO 0.32 0.47 -0.05 1.03 -1.46 0.00 0.00 175.22 175.53 2qky s ARG 560 N -0.30 0.39 -0.39 10.12 0.52 -1.26 -4.93 118.95 123.10 2qky s ARG 560 Ca 0.17 -0.53 0.02 0.00 -0.52 0.00 0.00 55.73 54.87 2qky s ARG 560 Cb -0.13 -0.17 0.11 0.00 0.52 0.00 0.00 34.95 35.28 2qky s ARG 560 CO 0.06 0.03 0.12 -0.51 0.02 0.00 0.00 175.30 175.01 2qky s LEU 561 N -1.12 4.83 0.31 2.53 1.43 -1.26 -4.86 118.68 120.54 2qky s LEU 561 Ca -0.08 -2.26 0.05 0.00 -1.03 0.00 0.00 54.13 50.80 2qky s LEU 561 Cb -0.08 -1.68 -0.03 0.00 0.03 0.00 0.00 46.19 44.44 2qky s LEU 561 CO -0.00 -0.39 0.28 0.54 0.23 0.00 0.00 176.35 177.01 2qky s ASN 562 N 0.93 1.40 0.32 2.29 2.20 -1.26 -5.03 114.94 115.79 2qky s ASN 562 Ca 0.11 -1.68 0.09 0.00 -0.94 0.00 0.00 52.86 50.45 2qky s ASN 562 Cb -0.21 0.55 0.92 0.00 -2.00 0.00 0.00 41.25 40.51 2qky s ASN 562 CO -0.06 -1.06 1.67 -0.25 -2.94 0.00 0.00 177.10 174.46 2qky h TRP 563 N 2.20 0.74 -0.19 1.54 7.01 -1.98 0.90 115.95 126.16 2qky h TRP 563 Ca -0.27 0.04 -0.05 0.00 2.11 0.00 0.00 58.89 60.72 2qky h TRP 563 Cb 1.23 -0.17 -0.01 0.00 -2.10 0.00 0.00 29.16 28.11 2qky h TRP 563 CO 1.51 -0.15 -0.11 0.00 -2.79 0.00 0.00 178.44 176.90 2qky h ALA 564 N 1.81 1.46 -0.15 2.65 0.00 -1.98 -0.12 119.26 122.92 2qky h ALA 564 Ca 0.66 -0.21 0.01 0.00 0.00 0.00 0.00 54.91 55.36 2qky h ALA 564 Cb 1.41 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 19.09 2qky h ALA 564 CO -0.60 0.38 0.10 1.15 0.00 0.00 0.00 179.25 180.28 2qky h THR 565 N 0.29 1.02 0.01 0.00 2.02 -1.15 0.40 112.91 115.50 2qky h THR 565 Ca 0.06 -0.06 -0.00 0.00 0.77 0.00 0.00 66.41 67.18 2qky h THR 565 Cb 0.38 0.84 0.00 0.00 -1.74 0.00 0.00 68.15 67.63 2qky h THR 565 CO 0.02 0.03 -0.00 0.22 0.37 0.00 0.00 175.52 176.16 2qky h TYR 566 N 0.17 -0.01 -0.41 3.16 3.20 -1.05 -1.80 116.97 120.23 2qky h TYR 566 Ca 0.06 -0.00 0.09 0.00 3.14 0.00 0.00 58.73 62.01 2qky h TYR 566 Cb 0.03 0.00 -0.09 0.00 1.54 0.00 0.00 36.73 38.21 2qky h TYR 566 CO -0.00 0.73 -0.18 -0.07 -1.64 0.00 0.00 178.16 177.00 2qky h LEU 567 N -0.98 -0.63 0.52 2.82 3.38 -0.63 0.33 115.31 120.12 2qky h LEU 567 Ca -0.00 0.15 -0.03 0.00 0.09 0.00 0.00 57.88 58.10 2qky h LEU 567 Cb 0.74 0.35 0.01 0.00 0.09 0.00 0.00 40.66 41.85 2qky h LEU 567 CO 0.00 -0.21 -0.25 0.00 0.09 0.00 0.00 178.44 178.07 2qky h ALA 568 N 1.21 -0.70 -0.48 1.53 0.00 -0.18 -1.28 119.26 119.36 2qky h ALA 568 Ca 0.20 -0.18 -0.04 0.00 0.00 0.00 0.00 54.91 54.89 2qky h ALA 568 Cb 0.41 0.27 -0.02 0.00 0.00 0.00 0.00 17.79 18.45 2qky h ALA 568 CO -0.48 -0.82 0.14 1.03 0.00 0.00 0.00 179.25 179.12 2qky h SER 569 N -0.83 0.71 0.00 0.00 0.87 -0.96 -2.00 113.55 111.34 2qky h SER 569 Ca -0.07 -0.21 -0.33 0.00 -1.23 0.00 0.00 61.79 59.95 2qky h SER 569 Cb 0.59 -0.19 -0.06 0.00 -0.44 0.00 0.00 62.40 62.30 2qky h SER 569 CO 0.12 0.73 -2.24 0.41 -0.53 0.00 0.00 176.83 175.32 2qky n THR 570 N -4.51 1.24 0.99 2.23 -1.04 0.11 -4.50 114.28 108.80 2qky n THR 570 Ca 0.01 -0.76 0.11 0.00 -2.04 0.00 0.00 64.05 61.37 2qky n THR 570 Cb 0.20 -0.54 0.03 0.00 -1.82 0.00 0.00 70.33 68.20 2qky n THR 570 CO 0.00 0.00 0.00 -0.62 -0.64 0.00 0.00 175.07 173.81 2qky n GLU 571 N -2.68 1.61 -3.68 -2.82 -0.58 -0.66 -4.98 120.64 106.85 2qky n GLU 571 Ca -0.30 -1.32 -0.28 0.00 -0.42 0.00 0.00 57.16 54.84 2qky n GLU 571 Cb 1.08 -1.46 0.04 0.00 -0.57 0.00 0.00 31.44 30.53 2qky n GLU 571 CO 0.00 0.00 0.00 0.09 -0.48 0.00 0.00 177.13 176.74 2qky n ASN 572 N 0.46 -4.10 -4.12 1.62 5.03 -0.57 -4.94 115.26 108.64 2qky n ASN 572 Ca 0.11 -0.96 -0.28 0.00 0.87 0.00 0.00 54.58 54.32 2qky n ASN 572 Cb 0.51 -3.62 -0.17 0.00 -1.02 0.00 0.00 39.78 35.49 2qky n ASN 572 CO 0.00 0.00 0.00 -0.63 -1.83 0.00 0.00 177.26 174.80 2qky s ILE 573 N -3.56 1.58 -0.11 2.41 1.01 -0.88 -4.40 121.20 117.25 2qky s ILE 573 Ca 0.34 -0.74 -0.27 0.00 0.00 0.00 0.00 60.65 59.97 2qky s ILE 573 Cb -0.11 -1.39 -0.02 0.00 0.01 0.00 0.00 42.46 40.95 2qky s ILE 573 CO 0.85 0.45 0.89 -0.63 0.00 0.00 0.00 174.94 176.50 2qky s ILE 574 N 0.47 4.87 -0.21 2.92 1.01 -0.85 -3.21 121.20 126.21 2qky s ILE 574 Ca -0.16 1.81 -0.05 0.00 0.00 0.00 0.00 60.65 62.25 2qky s ILE 574 Cb -0.17 -4.21 -0.02 0.00 0.01 0.00 0.00 42.46 38.08 2qky s ILE 574 CO 0.06 0.07 -0.02 -0.69 0.00 0.00 0.00 174.94 174.37 2qky s VAL 575 N 1.73 3.73 0.00 2.92 1.01 -1.17 -0.01 120.40 128.60 2qky s VAL 575 Ca 0.44 -0.38 0.00 0.00 0.00 0.00 0.00 61.98 62.03 2qky s VAL 575 Cb -0.18 -2.69 0.00 0.00 0.00 0.00 0.00 36.38 33.51 2qky s VAL 575 CO 0.17 0.42 0.00 0.00 0.00 0.00 0.00 175.10 175.70 2qky n ALA 576 N 4.44 0.00 0.00 5.51 0.00 0.17 -0.43 120.51 130.20 2qky n ALA 576 Ca -0.17 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.27 2qky n ALA 576 Cb 0.51 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.96 2qky n ALA 576 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.50 177.93 2qky n SER 577 N 0.00 0.00 -3.68 0.00 7.64 -1.08 -2.87 113.62 113.63 2qky n SER 577 Ca 0.00 0.00 -0.11 0.00 1.01 0.00 0.00 58.87 59.77 2qky n SER 577 Cb 0.00 0.00 -0.09 0.00 -1.01 0.00 0.00 64.21 63.11 2qky n SER 577 CO 0.00 0.00 0.00 0.12 -3.01 0.00 0.00 175.04 172.15 2qky s PHE 578 N -1.81 -0.72 -0.37 1.43 5.36 -1.26 -2.48 117.98 118.13 2qky s PHE 578 Ca 0.00 1.55 -0.10 0.00 -0.96 0.00 0.00 56.93 57.43 2qky s PHE 578 Cb 0.00 0.34 0.04 0.00 -0.34 0.00 0.00 43.02 43.06 2qky s PHE 578 CO 0.00 -0.37 0.19 -0.51 -1.46 0.00 0.00 175.22 173.07 2qky s ASP 579 N 1.10 5.65 0.00 6.13 1.01 -0.89 -4.80 116.67 124.87 2qky s ASP 579 Ca -0.07 -1.08 0.00 0.00 0.71 0.00 0.00 52.55 52.11 2qky s ASP 579 Cb -0.06 -1.99 0.00 0.00 1.01 0.00 0.00 42.92 41.88 2qky s ASP 579 CO -0.10 -0.39 0.00 0.61 0.21 0.00 0.00 175.17 175.49 2qky n GLY 580 N 4.95 4.27 2.87 0.21 0.00 -1.26 -3.85 105.19 112.38 2qky n GLY 580 Ca -0.12 -2.17 -0.50 0.00 0.00 0.00 0.00 46.02 43.23 2qky n GLY 580 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2qky n ARG 581 N -0.16 0.00 0.00 1.61 1.74 -1.26 -1.08 116.66 117.51 2qky n ARG 581 Ca 0.00 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 57.08 2qky n ARG 581 Cb 0.00 -1.19 0.00 0.00 -1.02 0.00 0.00 32.46 30.25 2qky n ARG 581 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 2qky n GLY 582 N 2.16 3.39 3.29 -0.13 0.00 -0.75 -3.96 105.19 109.19 2qky n GLY 582 Ca 0.20 -1.03 -0.33 0.00 0.00 0.00 0.00 46.02 44.86 2qky n GLY 582 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 2qky n SER 583 N 0.00 -2.41 -2.22 1.61 3.41 -0.24 -1.76 113.62 112.00 2qky n SER 583 Ca 0.00 -0.00 -0.03 0.00 -0.26 0.00 0.00 58.87 58.58 2qky n SER 583 Cb 0.00 -0.99 -0.00 0.00 -0.26 0.00 0.00 64.21 62.95 2qky n SER 583 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2qky n GLY 584 N 1.99 4.00 2.36 5.00 0.00 -0.60 -3.12 105.19 114.83 2qky n GLY 584 Ca 0.02 -2.22 -0.12 0.00 0.00 0.00 0.00 46.02 43.70 2qky n GLY 584 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 2qky n TYR 585 N -0.17 0.00 -1.88 1.61 4.01 -1.26 -4.84 117.16 114.63 2qky n TYR 585 Ca -0.02 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.72 2qky n TYR 585 Cb 0.05 -2.23 0.00 0.00 -0.31 0.00 0.00 39.34 36.86 2qky n TYR 585 CO 0.00 0.00 0.00 1.04 -0.46 0.00 0.00 176.86 177.44 2qky n GLN 586 N -2.60 0.00 0.00 -0.72 6.02 -1.26 -4.49 117.38 114.32 2qky n GLN 586 Ca -0.12 -0.83 0.00 0.00 -0.01 0.00 0.00 57.00 56.04 2qky n GLN 586 Cb 0.40 -0.44 0.00 0.00 1.02 0.00 0.00 30.24 31.22 2qky n GLN 586 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 2qky n GLY 587 N 0.00 2.26 0.13 1.08 0.00 -1.26 -4.70 105.19 102.70 2qky n GLY 587 Ca 0.00 -1.89 -0.01 0.00 0.00 0.00 0.00 46.02 44.11 2qky n GLY 587 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 2qky h ASP 588 N 0.00 0.00 -0.91 1.61 3.32 0.65 -2.45 116.42 118.64 2qky h ASP 588 Ca 0.00 0.00 0.15 0.00 0.02 0.00 0.00 57.03 57.20 2qky h ASP 588 Cb 0.00 0.00 -0.07 0.00 0.22 0.00 0.00 39.33 39.48 2qky h ASP 588 CO 0.00 0.63 0.59 0.50 -1.72 0.00 0.00 179.24 179.23 2qky h LYS 589 N 0.00 0.69 0.00 3.56 1.63 -1.87 0.77 116.57 121.34 2qky h LYS 589 Ca -0.01 -0.04 -0.03 0.00 -0.85 0.00 0.00 60.65 59.72 2qky h LYS 589 Cb 1.12 -0.16 -0.00 0.00 -0.60 0.00 0.00 32.23 32.59 2qky h LYS 589 CO 0.08 0.46 -0.44 0.82 -3.45 0.00 0.00 179.45 176.92 2qky h ILE 590 N 0.71 0.25 -0.43 2.00 2.04 -1.82 -3.20 117.51 117.05 2qky h ILE 590 Ca 0.46 -1.26 0.05 0.00 1.00 0.00 0.00 64.86 65.12 2qky h ILE 590 Cb 0.74 0.54 -0.02 0.00 -0.74 0.00 0.00 36.82 37.34 2qky h ILE 590 CO -0.22 0.08 0.29 -0.03 0.00 0.00 0.00 178.15 178.27 2qky h MET 591 N -1.00 0.38 -0.00 2.37 4.05 -1.36 -1.12 114.93 118.25 2qky h MET 591 Ca -0.05 -0.02 0.00 0.00 -0.28 0.00 0.00 59.70 59.35 2qky h MET 591 Cb 0.51 -0.09 0.00 0.00 -0.80 0.00 0.00 31.60 31.23 2qky h MET 591 CO -0.03 0.25 -0.42 0.72 0.23 0.00 0.00 176.91 177.66 2qky n HIS 592 N -4.48 0.00 -0.22 1.39 8.25 0.27 -4.06 115.22 116.36 2qky n HIS 592 Ca 0.05 0.00 0.31 0.00 -0.26 0.00 0.00 57.72 57.82 2qky n HIS 592 Cb 0.21 -0.18 0.69 0.00 1.12 0.00 0.00 29.99 31.83 2qky n HIS 592 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 2qky h ALA 593 N 3.31 2.89 -0.40 -1.41 0.00 -1.23 0.60 119.26 123.02 2qky h ALA 593 Ca 0.00 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.87 2qky h ALA 593 Cb 0.51 0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.37 2qky h ALA 593 CO 0.00 -1.40 0.00 0.44 0.00 0.00 0.00 179.25 178.29 2qky n ILE 594 N -3.83 2.36 -1.73 0.00 -5.35 -1.26 -4.91 119.36 104.64 2qky n ILE 594 Ca 0.22 -1.63 -0.42 0.00 -0.27 0.00 0.00 62.75 60.64 2qky n ILE 594 Cb 1.21 -0.20 -0.03 0.00 -1.74 0.00 0.00 39.64 38.88 2qky n ILE 594 CO 0.00 0.00 0.00 0.21 -1.76 0.00 0.00 176.55 175.00 2qky s ASN 595 N -1.43 6.41 0.00 7.28 3.04 0.21 -1.30 114.94 129.15 2qky s ASN 595 Ca 0.46 2.80 0.00 0.00 0.04 0.00 0.00 52.86 56.16 2qky s ASN 595 Cb 0.36 -2.58 0.00 0.00 -1.54 0.00 0.00 41.25 37.48 2qky s ASN 595 CO 0.13 -0.98 0.00 0.54 -3.04 0.00 0.00 177.10 173.75 2qky n ARG 596 N 4.80 0.00 -2.40 0.43 1.74 0.10 -4.81 116.66 116.52 2qky n ARG 596 Ca 0.17 0.00 -0.29 0.00 -0.77 0.00 0.00 57.85 56.96 2qky n ARG 596 Cb 0.37 -2.71 0.01 0.00 -1.02 0.00 0.00 32.46 29.10 2qky n ARG 596 CO 0.00 0.00 0.00 0.54 -1.52 0.00 0.00 177.63 176.65 2qky n ARG 597 N -1.99 3.35 -1.63 5.56 3.00 -0.42 -4.87 116.66 119.66 2qky n ARG 597 Ca 0.00 -4.38 -0.36 0.00 -0.01 0.00 0.00 57.85 53.10 2qky n ARG 597 Cb 0.00 -2.25 0.08 0.00 0.00 0.00 0.00 32.46 30.29 2qky n ARG 597 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.63 177.12 2qky s LEU 598 N -3.61 3.50 -0.78 0.55 1.43 -1.23 -2.66 118.68 115.88 2qky s LEU 598 Ca 0.49 2.58 0.00 0.00 -1.03 0.00 0.00 54.13 56.16 2qky s LEU 598 Cb 0.41 -4.61 0.00 0.00 0.03 0.00 0.00 46.19 42.01 2qky s LEU 598 CO -0.21 -2.12 0.00 0.61 0.23 0.00 0.00 176.35 174.86 2qky n GLY 599 N 0.82 0.34 0.00 -3.19 0.00 -1.26 -4.84 105.19 97.05 2qky n GLY 599 Ca 0.15 -0.57 0.00 0.00 0.00 0.00 0.00 46.02 45.60 2qky n GLY 599 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 2qky n THR 600 N -3.61 0.00 -0.30 2.61 -2.24 -1.09 -4.79 114.28 104.86 2qky n THR 600 Ca -0.10 0.00 0.26 0.00 -2.27 0.00 0.00 64.05 61.95 2qky n THR 600 Cb 0.48 0.00 0.49 0.00 -2.10 0.00 0.00 70.33 69.20 2qky n THR 600 CO 0.00 0.00 0.00 0.49 -0.57 0.00 0.00 175.07 174.99 2qky n PHE 601 N 0.00 0.98 0.28 4.78 3.72 -1.26 0.11 117.46 126.07 2qky n PHE 601 Ca 0.00 1.10 0.17 0.00 -0.05 0.00 0.00 57.45 58.68 2qky n PHE 601 Cb 0.00 -1.44 0.74 0.00 -0.94 0.00 0.00 39.48 37.84 2qky n PHE 601 CO 0.00 0.00 0.00 1.05 -0.05 0.00 0.00 176.76 177.76 2qky h GLU 602 N 0.00 0.00 0.00 -1.08 9.09 -1.90 0.15 114.58 120.84 2qky h GLU 602 Ca 0.74 0.00 0.00 0.00 0.05 0.00 0.00 59.36 60.15 2qky h GLU 602 Cb 1.90 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 29.00 2qky h GLU 602 CO -0.75 0.02 -0.03 0.28 0.05 0.00 0.00 179.01 178.58 2qky h VAL 603 N 0.00 0.00 -1.00 -1.06 2.07 0.43 -3.14 116.25 113.55 2qky h VAL 603 Ca -0.00 -0.98 0.27 0.00 0.82 0.00 0.00 66.70 66.81 2qky h VAL 603 Cb 0.46 0.00 -0.06 0.00 -1.52 0.00 0.00 31.29 30.17 2qky h VAL 603 CO 0.00 0.00 0.68 -0.33 0.02 0.00 0.00 177.57 177.94 2qky h GLU 604 N -0.98 0.19 0.00 1.57 5.08 -1.14 0.20 114.58 119.50 2qky h GLU 604 Ca 0.00 -0.01 -0.17 0.00 -1.00 0.00 0.00 59.36 58.17 2qky h GLU 604 Cb 0.03 -0.04 -0.02 0.00 0.50 0.00 0.00 28.75 29.21 2qky h GLU 604 CO 0.00 0.13 -0.83 -0.44 -1.00 0.00 0.00 179.01 176.87 2qky h ASP 605 N 0.20 0.00 -0.10 1.42 5.19 -0.84 -2.17 116.42 120.13 2qky h ASP 605 Ca 0.51 0.00 -0.01 0.00 -0.62 0.00 0.00 57.03 56.91 2qky h ASP 605 Cb 1.64 0.00 -0.00 0.00 0.18 0.00 0.00 39.33 41.15 2qky h ASP 605 CO -0.13 0.83 0.01 1.56 -3.12 0.00 0.00 179.24 178.39 2qky h GLN 606 N 0.00 0.17 -0.09 3.56 1.08 -0.58 -2.81 115.11 116.44 2qky h GLN 606 Ca -0.01 -0.05 0.04 0.00 -1.45 0.00 0.00 58.65 57.18 2qky h GLN 606 Cb 1.61 -0.02 -0.06 0.00 -0.05 0.00 0.00 27.48 28.96 2qky h GLN 606 CO 0.11 0.41 -0.34 0.82 -0.95 0.00 0.00 178.83 178.87 2qky h ILE 607 N -0.09 0.25 -0.80 2.54 2.04 -1.38 -2.32 117.51 117.75 2qky h ILE 607 Ca 0.03 0.00 0.09 0.00 1.00 0.00 0.00 64.86 65.97 2qky h ILE 607 Cb 0.33 0.25 -0.11 0.00 -0.74 0.00 0.00 36.82 36.55 2qky h ILE 607 CO 0.00 0.00 -0.54 -0.08 0.00 0.00 0.00 178.15 177.53 2qky h GLU 608 N -0.44 -0.12 -0.88 2.37 4.57 -1.31 0.17 114.58 118.94 2qky h GLU 608 Ca 0.08 0.01 0.07 0.00 -1.18 0.00 0.00 59.36 58.34 2qky h GLU 608 Cb 0.57 0.03 -0.07 0.00 -0.16 0.00 0.00 28.75 29.12 2qky h GLU 608 CO -0.34 -0.08 0.54 0.00 -1.18 0.00 0.00 179.01 177.95 2qky h ALA 609 N 0.47 1.23 -0.94 2.92 0.00 -1.27 0.18 119.26 121.84 2qky h ALA 609 Ca 0.16 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.07 2qky h ALA 609 Cb 0.49 -0.22 0.00 0.00 0.00 0.00 0.00 17.79 18.07 2qky h ALA 609 CO -0.83 0.25 0.00 0.00 0.00 0.00 0.00 179.25 178.67 2qky n ALA 610 N -2.36 -0.27 -0.26 0.00 0.00 0.32 0.72 120.51 118.65 2qky n ALA 610 Ca 0.13 0.00 -0.07 0.00 0.00 0.00 0.00 53.44 53.51 2qky n ALA 610 Cb 0.21 0.09 -0.06 0.00 0.00 0.00 0.00 19.45 19.69 2qky n ALA 610 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 177.50 175.37 2qky n ARG 611 N -1.70 -0.27 -0.24 0.00 0.63 0.32 0.26 116.66 115.66 2qky n ARG 611 Ca 0.00 0.99 0.05 0.00 -0.92 0.00 0.00 57.85 57.97 2qky n ARG 611 Cb 0.00 -1.46 0.17 0.00 0.45 0.00 0.00 32.46 31.62 2qky n ARG 611 CO 0.00 0.00 0.00 1.96 -2.51 0.00 0.00 177.63 177.08 2qky h GLN 612 N 0.00 0.26 0.39 -0.14 4.20 -0.37 0.83 115.11 120.29 2qky h GLN 612 Ca 0.10 -0.02 -0.02 0.00 0.06 0.00 0.00 58.65 58.77 2qky h GLN 612 Cb 0.25 -0.06 0.00 0.00 0.30 0.00 0.00 27.48 27.98 2qky h GLN 612 CO -0.58 0.17 -0.19 0.74 -0.67 0.00 0.00 178.83 178.31 2qky h PHE 613 N 0.27 -0.49 -1.00 2.96 0.04 0.96 -2.29 116.94 117.39 2qky h PHE 613 Ca 0.40 -0.01 0.29 0.00 2.80 0.00 0.00 57.97 61.45 2qky h PHE 613 Cb 0.66 0.16 -0.04 0.00 2.20 0.00 0.00 35.95 38.93 2qky h PHE 613 CO -0.26 -0.28 1.05 0.45 -0.60 0.00 0.00 178.31 178.67 2qky n SER 614 N -5.30 0.00 -0.04 2.17 2.88 0.36 0.14 113.62 113.83 2qky n SER 614 Ca -0.11 0.67 0.01 0.00 -1.33 0.00 0.00 58.87 58.11 2qky n SER 614 Cb 0.23 -0.25 -0.15 0.00 -0.75 0.00 0.00 64.21 63.29 2qky n SER 614 CO 0.00 0.00 0.00 0.29 -1.23 0.00 0.00 175.04 174.10 2qky n LYS 615 N -3.03 0.67 -1.61 -1.46 5.02 -0.87 -4.28 118.16 112.59 2qky n LYS 615 Ca 0.23 -0.06 -0.48 0.00 -2.02 0.00 0.00 58.31 55.98 2qky n LYS 615 Cb 1.35 -1.56 -0.04 0.00 -0.02 0.00 0.00 35.03 34.76 2qky n LYS 615 CO 0.00 0.00 0.00 -1.33 -0.52 0.00 0.00 177.40 175.55 2qky n MET 616 N -2.55 1.50 -0.15 1.97 2.81 0.37 -4.76 117.12 116.32 2qky n MET 616 Ca -0.16 0.54 0.29 0.00 -1.81 0.00 0.00 57.70 56.55 2qky n MET 616 Cb 0.84 -2.13 0.71 0.00 -0.71 0.00 0.00 33.22 31.94 2qky n MET 616 CO 0.00 0.00 0.00 0.78 1.51 0.00 0.00 175.97 178.26 2qky h GLY 617 N 4.04 0.00 -0.47 3.03 0.00 -1.91 -1.82 103.07 105.95 2qky h GLY 617 Ca -0.45 0.00 0.00 0.00 0.00 0.00 0.00 47.33 46.88 2qky h GLY 617 CO 0.75 0.00 0.00 1.97 0.00 0.00 0.00 176.54 179.26 2qky n PHE 618 N -3.94 0.17 -4.75 5.60 1.16 -1.26 -4.67 117.46 109.78 2qky n PHE 618 Ca 0.18 -0.08 -0.32 0.00 -1.87 0.00 0.00 57.45 55.36 2qky n PHE 618 Cb 1.03 0.00 -0.12 0.00 -1.61 0.00 0.00 39.48 38.78 2qky n PHE 618 CO 0.00 0.00 0.00 0.08 -1.87 0.00 0.00 176.76 174.97 2qky s VAL 619 N -1.83 3.12 -0.91 1.97 1.01 -0.69 -0.95 120.40 122.13 2qky s VAL 619 Ca 0.29 -0.84 -0.17 0.00 0.00 0.00 0.00 61.98 61.26 2qky s VAL 619 Cb 0.15 -2.27 0.17 0.00 0.00 0.00 0.00 36.38 34.43 2qky s VAL 619 CO 0.23 0.49 1.02 -0.62 0.00 0.00 0.00 175.10 176.22 2qky s ASP 620 N -1.04 6.71 0.00 3.32 -1.08 -0.25 -4.75 116.67 119.58 2qky s ASP 620 Ca 0.13 -2.34 0.00 0.00 -0.52 0.00 0.00 52.55 49.83 2qky s ASP 620 Cb -0.11 -2.33 0.00 0.00 -1.46 0.00 0.00 42.92 39.02 2qky s ASP 620 CO 0.03 -0.87 0.27 -0.46 0.52 0.00 0.00 175.17 174.67 2qky n ASN 621 N 5.56 0.00 -1.00 -0.34 2.04 -1.26 0.13 115.26 120.39 2qky n ASN 621 Ca 0.21 0.00 0.09 0.00 -0.44 0.00 0.00 54.58 54.44 2qky n ASN 621 Cb 0.48 0.00 0.23 0.00 -2.53 0.00 0.00 39.78 37.96 2qky n ASN 621 CO 0.00 0.00 0.00 0.29 -0.44 0.00 0.00 177.26 177.11 2qky n LYS 622 N -0.75 2.73 -3.05 -3.83 5.02 -1.26 -4.57 118.16 112.46 2qky n LYS 622 Ca 0.00 -2.33 -0.18 0.00 -2.02 0.00 0.00 58.31 53.78 2qky n LYS 622 Cb 0.00 -1.42 -0.02 0.00 -0.02 0.00 0.00 35.03 33.57 2qky n LYS 622 CO 0.00 0.00 0.00 0.54 -0.52 0.00 0.00 177.40 177.42 2qky n ARG 623 N 1.10 0.79 -4.07 1.97 1.74 0.34 -4.91 116.66 113.62 2qky n ARG 623 Ca 0.18 -2.79 -0.30 0.00 -0.77 0.00 0.00 57.85 54.17 2qky n ARG 623 Cb 0.52 -1.34 -0.16 0.00 -1.02 0.00 0.00 32.46 30.46 2qky n ARG 623 CO 0.00 0.00 0.00 0.42 -1.52 0.00 0.00 177.63 176.53 2qky s ILE 624 N -0.80 1.60 0.51 0.55 1.01 -1.25 -0.02 121.20 122.80 2qky s ILE 624 Ca 0.34 -0.65 0.03 0.00 0.00 0.00 0.00 60.65 60.37 2qky s ILE 624 Cb 0.22 -1.49 -0.00 0.00 0.01 0.00 0.00 42.46 41.19 2qky s ILE 624 CO -0.14 0.46 0.14 0.00 0.00 0.00 0.00 174.94 175.41 2qky s ALA 625 N 1.43 4.13 -0.29 9.38 0.00 -0.01 0.41 121.76 136.81 2qky s ALA 625 Ca 0.04 -0.88 -0.14 0.00 0.00 0.00 0.00 51.96 50.98 2qky s ALA 625 Cb -0.13 -0.23 0.11 0.00 0.00 0.00 0.00 23.12 22.86 2qky s ALA 625 CO -0.10 -0.17 0.72 -1.50 0.00 0.00 0.00 175.76 174.71 2qky s ILE 626 N -2.81 -0.37 0.30 0.00 2.07 -1.23 -1.50 121.20 117.67 2qky s ILE 626 Ca 0.19 0.00 0.03 0.00 -1.41 0.00 0.00 60.65 59.46 2qky s ILE 626 Cb 0.01 -1.00 -0.06 0.00 0.13 0.00 0.00 42.46 41.54 2qky s ILE 626 CO 0.11 0.00 0.07 -1.66 -1.91 0.00 0.00 174.94 171.55 2qky s TRP 627 N 2.08 1.81 0.05 3.50 1.48 -1.02 -2.64 118.94 124.21 2qky s TRP 627 Ca -0.08 -1.04 -0.27 0.00 -1.06 0.00 0.00 56.10 53.65 2qky s TRP 627 Cb -0.07 -1.14 0.09 0.00 -1.16 0.00 0.00 33.47 31.19 2qky s TRP 627 CO -0.19 -0.12 0.81 0.20 -4.06 0.00 0.00 176.95 173.60 2qky s GLY 628 N -3.42 -0.48 0.12 3.67 0.00 0.01 -2.53 107.32 104.69 2qky s GLY 628 Ca 0.37 0.80 0.08 0.00 0.00 0.00 0.00 44.72 45.97 2qky s GLY 628 CO 0.15 0.26 -0.20 0.86 0.00 0.00 0.00 173.10 174.17 2qky s TRP 629 N -3.31 1.79 0.00 1.90 -0.11 -1.26 0.95 118.94 118.91 2qky s TRP 629 Ca 0.05 -0.44 0.00 0.00 1.22 0.00 0.00 56.10 56.93 2qky s TRP 629 Cb -0.01 -0.95 0.00 0.00 -1.50 0.00 0.00 33.47 31.01 2qky s TRP 629 CO -0.09 0.25 0.00 0.45 -4.62 0.00 0.00 176.95 172.94 2qky n SER 630 N 0.80 0.00 0.02 5.86 2.88 0.58 0.46 113.62 124.22 2qky n SER 630 Ca -0.17 0.00 -0.02 0.00 -1.33 0.00 0.00 58.87 57.34 2qky n SER 630 Cb 0.55 0.00 0.23 0.00 -0.75 0.00 0.00 64.21 64.24 2qky n SER 630 CO 0.00 0.00 0.00 0.22 -1.23 0.00 0.00 175.04 174.03 2qky h TYR 631 N 0.00 0.53 -0.64 0.66 5.03 -1.85 -2.03 116.97 118.67 2qky h TYR 631 Ca 0.00 -0.10 -0.03 0.00 2.58 0.00 0.00 58.73 61.19 2qky h TYR 631 Cb 0.00 -0.13 -0.03 0.00 1.55 0.00 0.00 36.73 38.12 2qky h TYR 631 CO 0.00 0.65 0.30 0.78 -1.32 0.00 0.00 178.16 178.56 2qky h GLY 632 N 0.97 0.99 0.90 1.82 0.00 0.08 0.18 103.07 108.01 2qky h GLY 632 Ca 0.07 -0.50 0.14 0.00 0.00 0.00 0.00 47.33 47.04 2qky h GLY 632 CO 0.04 0.48 0.42 -1.33 0.00 0.00 0.00 176.54 176.14 2qky h GLY 633 N 0.88 0.32 1.42 4.60 0.00 -0.80 1.10 103.07 110.59 2qky h GLY 633 Ca 0.22 -0.08 -0.20 0.00 0.00 0.00 0.00 47.33 47.26 2qky h GLY 633 CO -0.03 0.04 -0.77 -1.82 0.00 0.00 0.00 176.54 173.96 2qky h TYR 634 N 0.20 0.76 0.00 5.60 3.20 -0.45 -0.39 116.97 125.90 2qky h TYR 634 Ca 0.29 -0.34 -0.19 0.00 3.14 0.00 0.00 58.73 61.62 2qky h TYR 634 Cb 0.86 -0.12 0.02 0.00 1.54 0.00 0.00 36.73 39.03 2qky h TYR 634 CO -0.00 1.13 -0.76 0.28 -1.64 0.00 0.00 178.16 177.18 2qky h VAL 635 N 0.38 1.38 -0.91 1.81 2.07 0.10 -0.34 116.25 120.74 2qky h VAL 635 Ca -0.04 -2.15 0.12 0.00 0.82 0.00 0.00 66.70 65.45 2qky h VAL 635 Cb 1.37 2.54 -0.08 0.00 -1.52 0.00 0.00 31.29 33.60 2qky h VAL 635 CO 0.14 0.64 0.54 0.74 0.02 0.00 0.00 177.57 179.65 2qky h THR 636 N 0.05 0.86 0.14 2.57 2.02 0.12 0.08 112.91 118.76 2qky h THR 636 Ca -0.10 -0.29 -0.01 0.00 0.77 0.00 0.00 66.41 66.79 2qky h THR 636 Cb 1.45 -0.05 0.00 0.00 -1.74 0.00 0.00 68.15 67.82 2qky h THR 636 CO 0.15 0.15 -0.07 0.28 0.37 0.00 0.00 175.52 176.40 2qky h SER 637 N 0.84 -0.16 -0.80 4.18 0.02 -0.99 -2.01 113.55 114.62 2qky h SER 637 Ca 0.46 -0.38 0.16 0.00 -0.84 0.00 0.00 61.79 61.20 2qky h SER 637 Cb 0.51 0.04 -0.06 0.00 0.14 0.00 0.00 62.40 63.03 2qky h SER 637 CO -0.29 0.36 0.53 0.24 -1.14 0.00 0.00 176.83 176.53 2qky h MET 638 N -0.75 0.42 0.13 3.45 2.86 -0.71 -1.77 114.93 118.56 2qky h MET 638 Ca -0.02 -0.03 -0.01 0.00 -2.06 0.00 0.00 59.70 57.59 2qky h MET 638 Cb 0.53 -0.09 0.00 0.00 0.06 0.00 0.00 31.60 32.10 2qky h MET 638 CO 0.03 0.28 -0.06 0.28 1.06 0.00 0.00 176.91 178.50 2qky h VAL 639 N 0.43 1.03 0.00 -2.22 2.07 -0.98 -2.45 116.25 114.13 2qky h VAL 639 Ca 0.40 -1.11 0.00 0.00 0.82 0.00 0.00 66.70 66.81 2qky h VAL 639 Cb 0.92 1.67 0.00 0.00 -1.52 0.00 0.00 31.29 32.37 2qky h VAL 639 CO -0.14 0.25 0.11 -0.07 0.02 0.00 0.00 177.57 177.74 2qky h LEU 640 N -0.74 0.00 -3.15 2.57 3.38 -0.95 0.35 115.31 116.77 2qky h LEU 640 Ca -0.02 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.95 2qky h LEU 640 Cb 0.53 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.28 2qky h LEU 640 CO 0.03 0.00 0.00 0.61 0.09 0.00 0.00 178.44 179.17 2qky n GLY 641 N -1.20 3.16 0.16 0.83 0.00 -0.70 -4.42 105.19 103.02 2qky n GLY 641 Ca -0.02 -0.80 -0.23 0.00 0.00 0.00 0.00 46.02 44.97 2qky n GLY 641 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 2qky h SER 642 N 2.91 0.83 0.00 1.61 4.64 0.17 -3.45 113.55 120.26 2qky h SER 642 Ca 0.00 -0.88 0.00 0.00 -0.47 0.00 0.00 61.79 60.44 2qky h SER 642 Cb 1.32 -0.26 0.00 0.00 -0.31 0.00 0.00 62.40 63.14 2qky h SER 642 CO 0.19 1.63 0.00 0.61 -0.87 0.00 0.00 176.83 178.40 2qky n GLY 643 N 1.55 0.65 0.31 -0.77 0.00 -1.26 -4.98 105.19 100.69 2qky n GLY 643 Ca -0.15 0.00 0.21 0.00 0.00 0.00 0.00 46.02 46.08 2qky n GLY 643 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 2qky h SER 644 N 0.00 0.00 -5.39 1.61 4.64 -1.93 -3.46 113.55 109.02 2qky h SER 644 Ca 0.00 0.00 -0.37 0.00 -0.47 0.00 0.00 61.79 60.95 2qky h SER 644 Cb 0.00 0.00 -0.08 0.00 -0.31 0.00 0.00 62.40 62.01 2qky h SER 644 CO 0.00 0.00 -0.54 0.61 -0.87 0.00 0.00 176.83 176.03 2qky n GLY 645 N -0.93 -0.48 0.06 -0.77 0.00 -1.26 -4.79 105.19 97.01 2qky n GLY 645 Ca -0.02 0.08 -0.04 0.00 0.00 0.00 0.00 46.02 46.05 2qky n GLY 645 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 2qky n VAL 646 N -3.90 0.86 -4.11 1.61 0.31 -1.26 -4.94 118.33 106.89 2qky n VAL 646 Ca -0.02 -0.65 -0.35 0.00 -0.01 0.00 0.00 64.34 63.32 2qky n VAL 646 Cb 0.54 -0.37 -0.11 0.00 -0.91 0.00 0.00 33.84 32.99 2qky n VAL 646 CO 0.00 0.00 0.00 -0.36 -1.32 0.00 0.00 176.83 175.15 2qky s PHE 647 N -2.66 3.13 -0.08 3.52 0.08 -1.26 -4.59 117.98 116.12 2qky s PHE 647 Ca -0.08 -0.18 -0.25 0.00 0.12 0.00 0.00 56.93 56.54 2qky s PHE 647 Cb 0.07 -2.06 -0.20 0.00 -0.57 0.00 0.00 43.02 40.25 2qky s PHE 647 CO 0.73 -0.03 0.93 -0.22 -0.10 0.00 0.00 175.22 176.53 2qky h LYS 648 N 7.01 -0.05 0.00 0.44 3.64 -0.39 -3.45 116.57 123.76 2qky h LYS 648 Ca -0.35 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.03 2qky h LYS 648 Cb 1.18 0.01 0.00 0.00 -0.41 0.00 0.00 32.23 33.01 2qky h LYS 648 CO 0.65 0.59 0.00 0.00 -2.27 0.00 0.00 179.45 178.42 2qky n GLY 650 N 1.59 2.57 3.31 0.00 0.00 -0.58 -3.47 105.19 108.61 2qky n GLY 650 Ca 0.00 -0.17 -0.32 0.00 0.00 0.00 0.00 46.02 45.53 2qky n GLY 650 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2qky s ILE 651 N -1.27 2.59 -0.21 -0.61 1.01 -1.08 -1.09 121.20 120.54 2qky s ILE 651 Ca 0.00 -0.84 0.02 0.00 0.00 0.00 0.00 60.65 59.83 2qky s ILE 651 Cb 0.00 -2.04 0.04 0.00 0.01 0.00 0.00 42.46 40.47 2qky s ILE 651 CO 0.00 0.54 -0.16 0.00 0.00 0.00 0.00 174.94 175.33 2qky s ALA 652 N 0.26 2.38 -0.20 9.38 0.00 -0.50 -0.81 121.76 132.26 2qky s ALA 652 Ca -0.13 -1.42 -0.07 0.00 0.00 0.00 0.00 51.96 50.34 2qky s ALA 652 Cb -0.16 -1.34 -0.04 0.00 0.00 0.00 0.00 23.12 21.58 2qky s ALA 652 CO 0.07 -0.71 0.06 0.08 0.00 0.00 0.00 175.76 175.26 2qky s VAL 653 N 1.23 4.57 -1.62 0.00 1.01 0.27 -2.64 120.40 123.23 2qky s VAL 653 Ca -0.01 -0.10 -0.16 0.00 0.00 0.00 0.00 61.98 61.71 2qky s VAL 653 Cb -0.16 -3.08 0.13 0.00 0.00 0.00 0.00 36.38 33.27 2qky s VAL 653 CO -0.10 0.42 0.85 0.00 0.00 0.00 0.00 175.10 176.28 2qky n ALA 654 N 4.02 -1.25 -0.51 5.51 0.00 0.19 -0.31 120.51 128.17 2qky n ALA 654 Ca -0.16 0.08 -0.28 0.00 0.00 0.00 0.00 53.44 53.08 2qky n ALA 654 Cb 0.52 -3.88 0.26 0.00 0.00 0.00 0.00 19.45 16.35 2qky n ALA 654 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.50 176.25 2qky s PRO 655 N -6.77 -1.13 -0.24 0.00 0.04 -1.25 -3.88 135.00 121.78 2qky s PRO 655 Ca 0.70 0.82 -0.06 0.00 0.04 0.00 0.00 61.00 62.50 2qky s PRO 655 Cb -0.37 -1.53 -0.02 0.00 0.04 0.00 0.00 34.50 32.61 2qky s PRO 655 CO 0.87 -3.86 0.04 0.08 0.04 0.00 0.00 177.00 174.17 2qky s VAL 656 N -2.43 4.12 -0.08 -0.36 1.01 -1.25 -4.59 120.40 116.83 2qky s VAL 656 Ca 0.69 -0.24 -0.01 0.00 0.00 0.00 0.00 61.98 62.42 2qky s VAL 656 Cb -0.25 -2.91 -0.01 0.00 0.00 0.00 0.00 36.38 33.21 2qky s VAL 656 CO 0.65 0.37 0.04 0.77 0.00 0.00 0.00 175.10 176.93 2qky h SER 657 N 8.10 -0.03 -2.98 3.32 4.64 -1.96 -3.42 113.55 121.23 2qky h SER 657 Ca -0.39 0.00 -0.49 0.00 -0.47 0.00 0.00 61.79 60.44 2qky h SER 657 Cb 1.17 0.01 -0.14 0.00 -0.31 0.00 0.00 62.40 63.13 2qky h SER 657 CO 0.59 0.37 -0.65 0.00 -0.87 0.00 0.00 176.83 176.27 2qky s ARG 658 N -1.56 1.59 0.30 4.77 1.70 -1.26 -0.50 118.95 123.98 2qky s ARG 658 Ca -0.00 -1.83 0.19 0.00 -0.47 0.00 0.00 55.73 53.62 2qky s ARG 658 Cb 0.00 -1.09 0.13 0.00 -0.57 0.00 0.00 34.95 33.43 2qky s ARG 658 CO 0.01 -0.03 1.37 -1.49 -1.08 0.00 0.00 175.30 174.08 2qky h TRP 659 N 2.22 0.00 0.00 5.89 4.06 -1.89 -3.28 115.95 122.95 2qky h TRP 659 Ca -0.40 0.00 0.00 0.00 2.06 0.00 0.00 58.89 60.55 2qky h TRP 659 Cb 1.24 0.00 0.00 0.00 -1.00 0.00 0.00 29.16 29.40 2qky h TRP 659 CO 0.65 0.24 0.00 0.39 -3.56 0.00 0.00 178.44 176.16 2qky n GLU 660 N -3.05 0.05 0.00 0.49 1.02 -1.26 -2.18 120.64 115.71 2qky n GLU 660 Ca 0.01 0.40 0.12 0.00 -0.02 0.00 0.00 57.16 57.68 2qky n GLU 660 Cb 0.64 -1.62 0.26 0.00 -0.02 0.00 0.00 31.44 30.70 2qky n GLU 660 CO 0.00 0.00 0.00 0.66 1.18 0.00 0.00 177.13 178.97 2qky n TYR 661 N -1.71 0.00 -2.67 -0.32 4.01 -1.24 -3.75 117.16 111.48 2qky n TYR 661 Ca 0.02 0.00 -0.22 0.00 -0.16 0.00 0.00 57.90 57.53 2qky n TYR 661 Cb 0.11 -0.17 0.08 0.00 -0.31 0.00 0.00 39.34 39.05 2qky n TYR 661 CO 0.00 0.00 0.00 -0.47 -0.46 0.00 0.00 176.86 175.93 2qky s TYR 662 N -2.79 1.93 0.68 -0.72 5.04 -0.93 -4.78 117.35 115.79 2qky s TYR 662 Ca 0.16 -0.27 -0.13 0.00 -2.44 0.00 0.00 57.07 54.39 2qky s TYR 662 Cb 0.18 -2.80 0.01 0.00 0.35 0.00 0.00 41.96 39.70 2qky s TYR 662 CO 0.64 -1.38 1.08 0.16 -1.34 0.00 0.00 175.55 174.71 2qky s ASP 663 N -4.63 5.14 0.03 4.32 1.47 -1.26 -1.62 116.67 120.12 2qky s ASP 663 Ca 0.63 1.83 -0.24 0.00 1.18 0.00 0.00 52.55 55.95 2qky s ASP 663 Cb -0.07 -2.53 -0.13 0.00 -0.34 0.00 0.00 42.92 39.85 2qky s ASP 663 CO 0.42 -1.60 1.20 0.77 0.68 0.00 0.00 175.17 176.63 2qky h SER 664 N -0.37 -0.72 -0.88 2.11 4.64 -1.36 -2.82 113.55 114.15 2qky h SER 664 Ca -0.45 0.02 0.22 0.00 -0.47 0.00 0.00 61.79 61.11 2qky h SER 664 Cb 1.23 0.19 -0.16 0.00 -0.31 0.00 0.00 62.40 63.34 2qky h SER 664 CO 0.55 -0.46 -0.01 0.58 -0.87 0.00 0.00 176.83 176.62 2qky h VAL 665 N -0.97 0.17 0.27 0.95 2.07 -1.94 0.58 116.25 117.39 2qky h VAL 665 Ca -0.09 -0.02 -0.01 0.00 0.82 0.00 0.00 66.70 67.40 2qky h VAL 665 Cb 0.65 0.11 0.00 0.00 -1.52 0.00 0.00 31.29 30.53 2qky h VAL 665 CO 0.14 0.01 -0.13 0.22 0.02 0.00 0.00 177.57 177.83 2qky h TYR 666 N 0.06 -0.34 -0.58 1.57 5.03 -1.90 -3.22 116.97 117.59 2qky h TYR 666 Ca 0.50 -0.01 0.10 0.00 2.58 0.00 0.00 58.73 61.90 2qky h TYR 666 Cb 0.94 0.11 -0.11 0.00 1.55 0.00 0.00 36.73 39.23 2qky h TYR 666 CO -0.49 -0.21 -0.35 1.15 -1.32 0.00 0.00 178.16 176.94 2qky h THR 667 N -0.81 0.16 0.00 1.81 2.02 -1.20 -2.12 112.91 112.77 2qky h THR 667 Ca -0.04 0.00 -0.05 0.00 0.77 0.00 0.00 66.41 67.09 2qky h THR 667 Cb 0.28 0.16 -0.01 0.00 -1.74 0.00 0.00 68.15 66.85 2qky h THR 667 CO 0.06 0.00 -0.25 -0.33 0.37 0.00 0.00 175.52 175.37 2qky h GLU 668 N -0.18 0.00 -0.97 6.66 5.08 -1.07 0.78 114.58 124.88 2qky h GLU 668 Ca 0.22 0.00 0.06 0.00 -1.00 0.00 0.00 59.36 58.64 2qky h GLU 668 Cb 0.55 0.00 -0.06 0.00 0.50 0.00 0.00 28.75 29.74 2qky h GLU 668 CO -0.67 0.25 0.62 -0.09 -1.00 0.00 0.00 179.01 178.12 2qky h ARG 669 N 0.00 1.11 0.00 2.33 2.43 -1.39 0.41 114.38 119.27 2qky h ARG 669 Ca -0.00 -0.07 -0.34 0.00 -0.81 0.00 0.00 59.98 58.76 2qky h ARG 669 Cb 0.47 -0.25 -0.06 0.00 -0.42 0.00 0.00 29.97 29.71 2qky h ARG 669 CO 0.03 0.73 -2.29 0.66 -1.51 0.00 0.00 179.97 177.60 2qky n TYR 670 N -4.52 0.00 -0.01 2.20 4.01 -1.00 -4.56 117.16 113.27 2qky n TYR 670 Ca 0.14 0.00 0.08 0.00 -0.16 0.00 0.00 57.90 57.96 2qky n TYR 670 Cb 0.17 -0.92 -0.14 0.00 -0.31 0.00 0.00 39.34 38.13 2qky n TYR 670 CO 0.00 0.00 0.00 -1.33 -0.46 0.00 0.00 176.86 175.07 2qky n MET 671 N -2.70 0.61 0.00 -0.72 2.81 0.27 0.02 117.12 117.41 2qky n MET 671 Ca -0.31 -0.15 0.00 0.00 -1.81 0.00 0.00 57.70 55.43 2qky n MET 671 Cb 1.11 -1.44 0.00 0.00 -0.71 0.00 0.00 33.22 32.18 2qky n MET 671 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 2qky n GLY 672 N 1.50 -1.63 3.83 3.03 0.00 0.14 -4.77 105.19 107.29 2qky n GLY 672 Ca -0.05 -1.52 -0.38 0.00 0.00 0.00 0.00 46.02 44.07 2qky n GLY 672 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2qky s LEU 673 N 0.00 4.48 -1.33 0.99 1.43 -1.26 -4.28 118.68 118.71 2qky s LEU 673 Ca 0.00 1.06 -0.11 0.00 -1.03 0.00 0.00 54.13 54.04 2qky s LEU 673 Cb 0.00 -2.74 -0.06 0.00 0.03 0.00 0.00 46.19 43.43 2qky s LEU 673 CO 0.00 0.29 2.48 -0.81 0.23 0.00 0.00 176.35 178.54 2qky n PRO 674 N 1.69 2.89 -4.14 1.29 -0.04 -1.26 -1.63 135.00 133.79 2qky n PRO 674 Ca -0.12 -2.09 -0.09 0.00 -0.04 0.00 0.00 63.50 61.15 2qky n PRO 674 Cb 0.52 -2.85 -0.10 0.00 -0.04 0.00 0.00 33.50 31.02 2qky n PRO 674 CO 0.00 0.00 0.00 0.95 -0.04 0.00 0.00 175.50 176.41 2qky s THR 675 N 3.02 0.40 0.14 0.52 -4.23 -1.26 -4.83 115.64 109.39 2qky s THR 675 Ca 0.56 -1.89 -0.13 0.00 -1.18 0.00 0.00 61.69 59.06 2qky s THR 675 Cb 0.15 -1.75 0.00 0.00 1.34 0.00 0.00 72.50 72.24 2qky s THR 675 CO -0.04 -0.79 1.58 1.55 -0.54 0.00 0.00 174.62 176.38 2qky h PRO 676 N 2.98 0.83 0.00 3.99 0.13 -1.96 -1.28 132.00 136.70 2qky h PRO 676 Ca -0.35 -0.28 0.00 0.00 -0.87 0.00 0.00 66.00 64.50 2qky h PRO 676 Cb 1.17 -0.07 0.00 0.00 0.13 0.00 0.00 31.00 32.23 2qky h PRO 676 CO 0.64 0.90 0.00 0.39 -0.23 0.00 0.00 178.00 179.70 2qky n GLU 677 N -4.34 0.01 0.00 0.86 4.71 -1.26 -4.51 120.64 116.11 2qky n GLU 677 Ca 0.00 0.38 0.00 0.00 -0.01 0.00 0.00 57.16 57.53 2qky n GLU 677 Cb 0.32 -1.50 0.00 0.00 -1.01 0.00 0.00 31.44 29.25 2qky n GLU 677 CO 0.00 0.00 0.00 -3.47 0.09 0.00 0.00 177.13 173.75 2qky n ASP 678 N -1.47 0.00 -2.68 1.62 2.03 -0.67 -5.06 116.55 110.32 2qky n ASP 678 Ca 0.02 0.00 -0.08 0.00 0.52 0.00 0.00 54.79 55.24 2qky n ASP 678 Cb 0.06 0.00 0.07 0.00 -0.72 0.00 0.00 41.12 40.53 2qky n ASP 678 CO 0.00 0.00 0.00 -3.20 -1.92 0.00 0.00 177.20 172.08 2qky n ASN 679 N -0.82 0.00 0.04 1.67 5.15 -0.65 -4.94 115.26 115.71 2qky n ASN 679 Ca 0.00 -2.62 -0.19 0.00 -0.60 0.00 0.00 54.58 51.17 2qky n ASN 679 Cb 0.00 0.14 -0.13 0.00 -0.53 0.00 0.00 39.78 39.26 2qky n ASN 679 CO 0.00 0.00 0.00 0.25 1.40 0.00 0.00 177.26 178.91 2qky h LEU 680 N 2.59 0.55 -0.59 1.20 5.85 -1.42 -2.88 115.31 120.60 2qky h LEU 680 Ca -0.17 -0.85 0.11 0.00 0.84 0.00 0.00 57.88 57.81 2qky h LEU 680 Cb 1.23 -0.17 -0.09 0.00 0.37 0.00 0.00 40.66 42.00 2qky h LEU 680 CO 0.26 1.35 0.12 0.44 -0.34 0.00 0.00 178.44 180.26 2qky h ASP 681 N -0.17 -0.01 1.10 1.25 3.32 -1.92 0.29 116.42 120.28 2qky h ASP 681 Ca -0.12 0.11 -0.08 0.00 0.02 0.00 0.00 57.03 56.97 2qky h ASP 681 Cb 1.54 0.16 -0.01 0.00 0.22 0.00 0.00 39.33 41.23 2qky h ASP 681 CO 0.15 0.00 -0.36 -0.74 -1.72 0.00 0.00 179.24 176.57 2qky h HIS 682 N 0.25 0.00 -0.39 4.55 2.76 -1.93 0.35 115.15 120.74 2qky h HIS 682 Ca 0.31 0.00 -0.07 0.00 -2.20 0.00 0.00 60.37 58.41 2qky h HIS 682 Cb 0.46 0.00 -0.01 0.00 1.55 0.00 0.00 27.41 29.41 2qky h HIS 682 CO -0.25 0.36 -0.02 1.88 -1.30 0.00 0.00 177.93 178.60 2qky h TYR 683 N 0.00 0.76 0.00 5.26 0.05 -0.83 -1.10 116.97 121.12 2qky h TYR 683 Ca -0.00 -0.14 -0.12 0.00 0.05 0.00 0.00 58.73 58.52 2qky h TYR 683 Cb 1.01 -0.20 -0.02 0.00 1.01 0.00 0.00 36.73 38.54 2qky h TYR 683 CO 0.00 0.79 -0.56 0.00 -1.05 0.00 0.00 178.16 177.34 2qky h ARG 684 N 0.52 0.00 0.05 4.88 2.47 -0.22 -3.21 114.38 118.87 2qky h ARG 684 Ca 0.11 0.00 -0.24 0.00 -1.26 0.00 0.00 59.98 58.58 2qky h ARG 684 Cb 0.50 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 28.82 2qky h ARG 684 CO 0.02 0.56 -1.06 -0.91 0.56 0.00 0.00 179.97 179.15 2qky h ASN 685 N 0.00 0.50 0.27 7.04 2.35 -0.13 -3.33 115.58 122.28 2qky h ASN 685 Ca -0.01 -0.45 0.00 0.00 -0.55 0.00 0.00 56.30 55.30 2qky h ASN 685 Cb 1.01 -0.16 0.00 0.00 0.05 0.00 0.00 38.32 39.23 2qky h ASN 685 CO 0.07 1.28 0.00 -1.54 -1.65 0.00 0.00 177.43 175.59 2qky n SER 686 N -3.67 0.00 -4.77 5.81 3.41 -0.43 -4.89 113.62 109.07 2qky n SER 686 Ca -0.08 0.31 -0.40 0.00 -0.26 0.00 0.00 58.87 58.44 2qky n SER 686 Cb 0.90 -0.39 -0.02 0.00 -0.26 0.00 0.00 64.21 64.45 2qky n SER 686 CO 0.00 0.00 0.00 0.42 -0.16 0.00 0.00 175.04 175.30 2qky s THR 687 N -2.77 2.74 0.05 6.66 -4.23 -1.25 -4.84 115.64 111.99 2qky s THR 687 Ca 0.07 0.71 -0.25 0.00 -1.18 0.00 0.00 61.69 61.05 2qky s THR 687 Cb 0.07 -3.44 -0.17 0.00 1.34 0.00 0.00 72.50 70.30 2qky s THR 687 CO 0.17 0.14 1.52 0.58 -0.54 0.00 0.00 174.62 176.49 2qky h VAL 688 N 2.80 0.94 -0.96 2.29 2.07 -1.10 -3.27 116.25 119.02 2qky h VAL 688 Ca -0.49 -0.37 0.19 0.00 0.82 0.00 0.00 66.70 66.85 2qky h VAL 688 Cb 1.23 1.17 -0.18 0.00 -1.52 0.00 0.00 31.29 31.99 2qky h VAL 688 CO 0.64 0.09 -0.25 0.23 0.02 0.00 0.00 177.57 178.30 2qky n MET 689 N -5.10 -0.10 0.00 1.57 2.81 -1.26 -0.85 117.12 114.19 2qky n MET 689 Ca -0.09 1.49 0.02 0.00 -1.81 0.00 0.00 57.70 57.31 2qky n MET 689 Cb 0.17 -2.22 0.10 0.00 -0.71 0.00 0.00 33.22 30.55 2qky n MET 689 CO 0.00 0.00 0.00 -1.13 1.51 0.00 0.00 175.97 176.35 2qky n SER 690 N -5.55 0.00 -0.02 7.83 3.41 -1.23 -0.83 113.62 117.23 2qky n SER 690 Ca 0.15 -0.15 0.02 0.00 -0.26 0.00 0.00 58.87 58.62 2qky n SER 690 Cb 0.47 0.00 0.03 0.00 -0.26 0.00 0.00 64.21 64.45 2qky n SER 690 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 175.04 175.42 2qky n ARG 691 N -0.89 2.39 -0.22 4.33 1.74 -0.03 -4.84 116.66 119.14 2qky n ARG 691 Ca 0.02 -1.63 0.01 0.00 -0.77 0.00 0.00 57.85 55.48 2qky n ARG 691 Cb 0.01 -1.05 0.10 0.00 -1.02 0.00 0.00 32.46 30.49 2qky n ARG 691 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 2qky h ALA 692 N 0.00 0.56 0.00 7.54 0.00 -1.07 -1.22 119.26 125.07 2qky h ALA 692 Ca 0.00 0.22 -0.01 0.00 0.00 0.00 0.00 54.91 55.12 2qky h ALA 692 Cb 0.65 0.41 -0.00 0.00 0.00 0.00 0.00 17.79 18.85 2qky h ALA 692 CO 0.00 -0.41 -0.04 1.49 0.00 0.00 0.00 179.25 180.29 2qky h GLU 693 N 0.06 0.00 0.00 0.00 4.81 -1.88 -0.14 114.58 117.44 2qky h GLU 693 Ca 0.33 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.56 2qky h GLU 693 Cb 0.54 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.92 2qky h GLU 693 CO -0.61 0.04 0.00 0.09 -0.73 0.00 0.00 179.01 177.80 2qky n ASN 694 N -3.69 0.66 0.00 1.04 3.02 -0.46 -2.51 115.26 113.31 2qky n ASN 694 Ca -0.03 0.60 0.05 0.00 -0.03 0.00 0.00 54.58 55.17 2qky n ASN 694 Cb 0.13 -0.76 0.25 0.00 -0.61 0.00 0.00 39.78 38.79 2qky n ASN 694 CO 0.00 0.00 0.00 0.49 -2.62 0.00 0.00 177.26 175.13 2qky n PHE 695 N -2.16 0.00 0.30 3.10 3.72 -0.06 -2.67 117.46 119.69 2qky n PHE 695 Ca 0.04 0.00 0.18 0.00 -0.05 0.00 0.00 57.45 57.63 2qky n PHE 695 Cb 0.34 -0.39 0.91 0.00 -0.94 0.00 0.00 39.48 39.41 2qky n PHE 695 CO 0.00 0.00 0.00 0.87 -0.05 0.00 0.00 176.76 177.58 2qky h LYS 696 N 0.00 0.00 -0.66 -1.08 1.57 -1.66 -2.52 116.57 112.22 2qky h LYS 696 Ca 0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 2qky h LYS 696 Cb 0.14 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.45 2qky h LYS 696 CO 0.00 0.03 0.00 1.04 -0.57 0.00 0.00 179.45 179.95 2qky n GLN 697 N -3.23 3.94 -3.77 3.15 1.13 -1.09 -4.94 117.38 112.56 2qky n GLN 697 Ca -0.01 -2.94 -0.13 0.00 -1.94 0.00 0.00 57.00 51.98 2qky n GLN 697 Cb 0.19 -1.96 -0.12 0.00 0.11 0.00 0.00 30.24 28.46 2qky n GLN 697 CO 0.00 0.00 0.00 0.14 -1.44 0.00 0.00 177.06 175.76 2qky s VAL 698 N -1.98 -0.01 -0.20 5.09 -7.23 -0.95 -4.91 120.40 110.20 2qky s VAL 698 Ca 0.52 0.05 -0.29 0.00 -1.81 0.00 0.00 61.98 60.45 2qky s VAL 698 Cb 0.35 -0.33 -0.01 0.00 0.56 0.00 0.00 36.38 36.94 2qky s VAL 698 CO 0.24 0.02 1.32 -1.61 -0.31 0.00 0.00 175.10 174.76 2qky s GLU 699 N 0.47 4.11 0.03 4.82 2.02 -0.82 -4.96 118.70 124.36 2qky s GLU 699 Ca -0.03 1.57 0.08 0.00 0.02 0.00 0.00 54.97 56.62 2qky s GLU 699 Cb -0.04 -3.83 -0.03 0.00 0.10 0.00 0.00 34.13 30.33 2qky s GLU 699 CO -0.02 -0.88 -0.25 -0.47 0.02 0.00 0.00 175.26 173.66 2qky s TYR 700 N 3.91 2.16 -0.11 1.61 5.04 -1.26 -1.53 117.35 127.18 2qky s TYR 700 Ca 0.57 -0.40 0.01 0.00 -2.44 0.00 0.00 57.07 54.81 2qky s TYR 700 Cb -0.21 -1.32 0.02 0.00 0.35 0.00 0.00 41.96 40.80 2qky s TYR 700 CO 0.19 0.08 -0.11 -1.17 -1.34 0.00 0.00 175.55 173.20 2qky s LEU 701 N -1.05 1.44 -0.17 6.97 2.96 -0.25 -0.50 118.68 128.08 2qky s LEU 701 Ca 0.10 -0.35 -0.04 0.00 -0.22 0.00 0.00 54.13 53.62 2qky s LEU 701 Cb -0.10 -0.92 -0.03 0.00 0.50 0.00 0.00 46.19 45.64 2qky s LEU 701 CO 0.01 -0.06 -0.03 -0.22 -1.32 0.00 0.00 176.35 174.74 2qky s LEU 702 N 1.34 3.26 -0.04 -0.68 2.96 -0.61 -1.41 118.68 123.50 2qky s LEU 702 Ca -0.01 -0.15 0.02 0.00 -0.22 0.00 0.00 54.13 53.78 2qky s LEU 702 Cb -0.14 -1.80 0.01 0.00 0.50 0.00 0.00 46.19 44.76 2qky s LEU 702 CO -0.05 0.14 -0.10 -0.63 -1.32 0.00 0.00 176.35 174.39 2qky s ILE 703 N 0.53 0.91 0.01 6.68 1.01 -1.08 -0.75 121.20 128.51 2qky s ILE 703 Ca -0.02 -0.40 -0.18 0.00 0.00 0.00 0.00 60.65 60.05 2qky s ILE 703 Cb -0.14 -0.82 0.03 0.00 0.01 0.00 0.00 42.46 41.54 2qky s ILE 703 CO 0.02 0.29 0.40 -2.28 0.00 0.00 0.00 174.94 173.38 2qky s HIS 704 N 0.39 -0.28 -0.34 3.97 2.46 -1.09 -0.64 115.29 119.76 2qky s HIS 704 Ca -0.07 0.34 -0.10 0.00 0.47 0.00 0.00 55.06 55.69 2qky s HIS 704 Cb -0.12 0.19 0.01 0.00 -0.13 0.00 0.00 32.58 32.54 2qky s HIS 704 CO 0.01 -0.51 0.18 0.20 -2.47 0.00 0.00 174.74 172.16 2qky s GLY 705 N -1.68 1.90 0.64 1.59 0.00 -1.26 -0.58 107.32 107.93 2qky s GLY 705 Ca -0.09 -1.56 0.18 0.00 0.00 0.00 0.00 44.72 43.25 2qky s GLY 705 CO 0.01 0.77 1.42 -0.91 0.00 0.00 0.00 173.10 174.40 2qky h THR 706 N 5.77 0.05 -0.74 0.90 1.35 -1.55 -0.04 112.91 118.66 2qky h THR 706 Ca -0.29 0.00 -0.41 0.00 -0.55 0.00 0.00 66.41 65.16 2qky h THR 706 Cb 1.12 0.24 -0.24 0.00 -1.73 0.00 0.00 68.15 67.55 2qky h THR 706 CO 0.64 0.00 0.33 0.00 -0.25 0.00 0.00 175.52 176.24 2qky n ALA 707 N -1.91 5.19 -2.43 6.62 0.00 -0.71 -4.77 120.51 122.51 2qky n ALA 707 Ca 0.07 -3.11 -0.43 0.00 0.00 0.00 0.00 53.44 49.97 2qky n ALA 707 Cb 0.95 -1.16 -0.02 0.00 0.00 0.00 0.00 19.45 19.21 2qky n ALA 707 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 2qky s ASP 708 N -1.95 6.91 0.01 0.00 -1.08 -0.03 -4.35 116.67 116.18 2qky s ASP 708 Ca 0.53 1.61 0.22 0.00 -0.52 0.00 0.00 52.55 54.39 2qky s ASP 708 Cb 0.45 -2.54 -0.14 0.00 -1.46 0.00 0.00 42.92 39.23 2qky s ASP 708 CO 0.05 -0.80 0.85 -0.90 0.52 0.00 0.00 175.17 174.89 2qky n ASP 709 N 6.74 0.60 -0.08 -0.34 5.75 -1.26 -4.25 116.55 123.71 2qky n ASP 709 Ca 0.14 -0.44 -0.10 0.00 -0.01 0.00 0.00 54.79 54.37 2qky n ASP 709 Cb 0.45 1.16 -0.06 0.00 -1.03 0.00 0.00 41.12 41.65 2qky n ASP 709 CO 0.00 0.00 0.00 -1.13 -0.11 0.00 0.00 177.20 175.96 2qky h ASN 710 N 0.00 0.00 -3.73 -1.12 -0.73 -1.98 -3.43 115.58 104.58 2qky h ASN 710 Ca 0.00 -0.29 -0.66 0.00 1.87 0.00 0.00 56.30 57.23 2qky h ASN 710 Cb 0.71 0.00 -0.39 0.00 0.27 0.00 0.00 38.32 38.91 2qky h ASN 710 CO 0.00 0.96 -0.76 -0.69 -0.37 0.00 0.00 177.43 176.57 2qky s VAL 711 N -2.14 2.09 0.27 2.57 1.01 -1.26 -4.77 120.40 118.16 2qky s VAL 711 Ca -0.17 -1.89 -0.30 0.00 0.00 0.00 0.00 61.98 59.62 2qky s VAL 711 Cb 0.02 -2.38 -0.11 0.00 0.00 0.00 0.00 36.38 33.91 2qky s VAL 711 CO 0.35 -0.31 1.56 -1.00 0.00 0.00 0.00 175.10 175.69 2qky s HIS 712 N 1.07 2.85 0.48 5.22 3.76 -1.26 -4.70 115.29 122.71 2qky s HIS 712 Ca 0.01 0.82 0.34 0.00 -0.15 0.00 0.00 55.06 56.08 2qky s HIS 712 Cb -0.19 -3.99 1.48 0.00 1.11 0.00 0.00 32.58 30.98 2qky s HIS 712 CO -0.07 -3.36 1.65 0.35 -0.85 0.00 0.00 174.74 172.46 2qky h PHE 713 N 5.12 0.35 -1.22 1.40 3.57 -1.84 1.73 116.94 126.05 2qky h PHE 713 Ca -0.46 0.01 0.35 0.00 3.53 0.00 0.00 57.97 61.41 2qky h PHE 713 Cb 1.22 -0.09 -0.05 0.00 2.79 0.00 0.00 35.95 39.82 2qky h PHE 713 CO 0.60 -0.11 0.96 0.37 -2.23 0.00 0.00 178.31 177.90 2qky h GLN 714 N 0.08 0.00 -0.14 1.11 4.15 -1.94 0.12 115.11 118.49 2qky h GLN 714 Ca 0.79 0.00 -0.14 0.00 0.77 0.00 0.00 58.65 60.07 2qky h GLN 714 Cb 2.69 0.00 0.00 0.00 0.21 0.00 0.00 27.48 30.39 2qky h GLN 714 CO -0.26 0.00 -0.46 1.96 -1.93 0.00 0.00 178.83 178.14 2qky h GLN 715 N 0.00 0.56 0.02 1.69 4.20 0.23 -2.30 115.11 119.51 2qky h GLN 715 Ca 0.58 -0.41 -0.09 0.00 0.06 0.00 0.00 58.65 58.79 2qky h GLN 715 Cb 2.48 0.07 0.01 0.00 0.30 0.00 0.00 27.48 30.34 2qky h GLN 715 CO -0.01 1.04 -0.35 0.77 -0.67 0.00 0.00 178.83 179.61 2qky h SER 716 N 0.19 0.28 -1.50 1.46 0.02 -1.18 -2.91 113.55 109.92 2qky h SER 716 Ca -0.02 -0.82 0.43 0.00 -0.84 0.00 0.00 61.79 60.54 2qky h SER 716 Cb 1.09 -0.09 -0.06 0.00 0.14 0.00 0.00 62.40 63.48 2qky h SER 716 CO 0.10 1.07 1.14 0.00 -1.14 0.00 0.00 176.83 178.00 2qky h ALA 717 N 0.21 3.41 0.00 3.77 0.00 -0.92 1.88 119.26 127.60 2qky h ALA 717 Ca -0.05 -0.05 -0.23 0.00 0.00 0.00 0.00 54.91 54.58 2qky h ALA 717 Cb 1.14 0.11 -0.04 0.00 0.00 0.00 0.00 17.79 19.00 2qky h ALA 717 CO 0.07 -1.91 -1.38 1.96 0.00 0.00 0.00 179.25 177.99 2qky h GLN 718 N 0.00 0.00 0.29 0.00 1.08 -1.31 -3.28 115.11 111.89 2qky h GLN 718 Ca 0.71 0.00 -0.01 0.00 -1.45 0.00 0.00 58.65 57.90 2qky h GLN 718 Cb 2.99 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 30.42 2qky h GLN 718 CO -0.01 0.57 -0.14 0.82 -0.95 0.00 0.00 178.83 179.12 2qky h ILE 719 N 0.00 0.00 -0.95 2.54 2.04 0.31 -3.10 117.51 118.35 2qky h ILE 719 Ca -0.17 -0.10 0.25 0.00 1.00 0.00 0.00 64.86 65.84 2qky h ILE 719 Cb 1.81 0.00 -0.17 0.00 -0.74 0.00 0.00 36.82 37.72 2qky h ILE 719 CO 0.08 0.00 0.03 0.77 0.00 0.00 0.00 178.15 179.04 2qky h SER 720 N -0.49 -0.44 -0.56 1.72 4.64 -1.52 0.88 113.55 117.78 2qky h SER 720 Ca -0.04 0.26 0.06 0.00 -0.47 0.00 0.00 61.79 61.61 2qky h SER 720 Cb 0.30 0.46 -0.03 0.00 -0.31 0.00 0.00 62.40 62.81 2qky h SER 720 CO 0.07 -0.32 0.38 0.50 -0.87 0.00 0.00 176.83 176.58 2qky h LYS 721 N 0.04 0.50 0.00 4.77 3.64 -1.62 0.31 116.57 124.20 2qky h LYS 721 Ca 0.57 -0.03 -0.21 0.00 -1.27 0.00 0.00 60.65 59.71 2qky h LYS 721 Cb 1.15 -0.11 -0.00 0.00 -0.41 0.00 0.00 32.23 32.85 2qky h LYS 721 CO -0.87 0.33 -0.91 0.00 -2.27 0.00 0.00 179.45 175.73 2qky h ALA 722 N 1.70 0.45 0.00 5.00 0.00 0.80 -2.32 119.26 124.88 2qky h ALA 722 Ca 0.24 -0.72 0.00 0.00 0.00 0.00 0.00 54.91 54.44 2qky h ALA 722 Cb 0.30 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.04 2qky h ALA 722 CO -0.07 0.87 0.00 -0.07 0.00 0.00 0.00 179.25 179.98 2qky h LEU 723 N 0.16 0.00 0.03 0.00 3.38 0.70 -3.07 115.31 116.52 2qky h LEU 723 Ca -0.06 0.00 -0.26 0.00 0.09 0.00 0.00 57.88 57.65 2qky h LEU 723 Cb 1.54 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 42.26 2qky h LEU 723 CO 0.15 0.00 -1.38 0.58 0.09 0.00 0.00 178.44 177.87 2qky h VAL 724 N 0.00 1.27 0.00 1.22 2.07 -0.29 -1.72 116.25 118.79 2qky h VAL 724 Ca 0.00 -3.01 0.00 0.00 0.82 0.00 0.00 66.70 64.51 2qky h VAL 724 Cb 0.69 2.67 0.00 0.00 -1.52 0.00 0.00 31.29 33.13 2qky h VAL 724 CO 0.00 0.77 0.00 0.47 0.02 0.00 0.00 177.57 178.83 2qky n ASP 725 N -3.27 0.00 -0.09 0.57 8.00 -0.89 -3.03 116.55 117.83 2qky n ASP 725 Ca -0.10 0.35 0.05 0.00 0.71 0.00 0.00 54.79 55.80 2qky n ASP 725 Cb 1.01 -0.45 -0.04 0.00 -0.02 0.00 0.00 41.12 41.61 2qky n ASP 725 CO 0.00 0.00 0.00 1.33 -0.39 0.00 0.00 177.20 178.14 2qky n VAL 726 N -1.45 0.00 -0.60 2.53 0.24 -1.17 -5.01 118.33 112.87 2qky n VAL 726 Ca 0.09 -0.29 0.00 0.00 -2.04 0.00 0.00 64.34 62.10 2qky n VAL 726 Cb 0.32 1.05 0.00 0.00 -1.47 0.00 0.00 33.84 33.73 2qky n VAL 726 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 2qky n GLY 727 N 1.16 0.66 3.79 7.63 0.00 -1.17 -4.92 105.19 112.35 2qky n GLY 727 Ca 0.03 -0.33 -0.39 0.00 0.00 0.00 0.00 46.02 45.33 2qky n GLY 727 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2qky s VAL 728 N -2.00 4.61 0.19 1.61 0.11 -0.66 -5.03 120.40 119.24 2qky s VAL 728 Ca 0.00 1.40 -0.04 0.00 -2.93 0.00 0.00 61.98 60.41 2qky s VAL 728 Cb 0.00 -3.99 -0.05 0.00 -1.53 0.00 0.00 36.38 30.80 2qky s VAL 728 CO 0.00 0.53 0.43 -0.62 -3.33 0.00 0.00 175.10 172.11 2qky s ASP 729 N -1.05 6.47 0.20 3.54 2.15 -1.26 -4.49 116.67 122.25 2qky s ASP 729 Ca 0.32 0.61 -0.13 0.00 0.43 0.00 0.00 52.55 53.78 2qky s ASP 729 Cb -0.21 -2.10 0.05 0.00 -0.30 0.00 0.00 42.92 40.36 2qky s ASP 729 CO 0.22 -0.03 0.64 2.22 -0.17 0.00 0.00 175.17 178.04 2qky n PHE 730 N -0.28 -1.55 -4.13 -5.34 1.16 -1.26 -4.75 117.46 101.30 2qky n PHE 730 Ca -0.02 -1.10 -0.22 0.00 -1.87 0.00 0.00 57.45 54.23 2qky n PHE 730 Cb 0.53 0.54 -0.06 0.00 -1.61 0.00 0.00 39.48 38.88 2qky n PHE 730 CO 0.00 0.00 0.00 -0.65 -1.87 0.00 0.00 176.76 174.24 2qky s GLN 731 N -2.05 2.56 0.18 3.97 -1.52 0.35 -5.02 119.66 118.14 2qky s GLN 731 Ca 0.13 -1.32 -0.23 0.00 -1.95 0.00 0.00 55.36 51.99 2qky s GLN 731 Cb -0.03 -2.33 0.06 0.00 -0.22 0.00 0.00 33.01 30.49 2qky s GLN 731 CO 0.06 0.28 0.69 0.00 -0.25 0.00 0.00 175.29 176.07 2qky s ALA 732 N -2.29 -1.50 -0.29 6.09 0.00 -1.26 -1.57 121.76 120.94 2qky s ALA 732 Ca 0.35 0.25 -0.16 0.00 0.00 0.00 0.00 51.96 52.40 2qky s ALA 732 Cb -0.06 0.82 0.15 0.00 0.00 0.00 0.00 23.12 24.03 2qky s ALA 732 CO 0.23 -0.87 1.01 1.41 0.00 0.00 0.00 175.76 177.55 2qky s MET 733 N -3.71 0.33 0.33 0.00 0.00 0.07 -4.91 119.30 111.41 2qky s MET 733 Ca 0.05 0.58 0.07 0.00 0.00 0.00 0.00 55.69 56.40 2qky s MET 733 Cb -0.03 0.08 -0.03 0.00 0.00 0.00 0.00 34.83 34.85 2qky s MET 733 CO -0.05 -0.07 0.30 1.67 0.00 0.00 0.00 175.02 176.87 2qky s TRP 734 N 1.34 2.92 -0.31 4.11 -2.14 -1.26 -2.67 118.94 120.93 2qky s TRP 734 Ca -0.09 -0.29 -0.01 0.00 2.66 0.00 0.00 56.10 58.37 2qky s TRP 734 Cb -0.03 -1.80 0.10 0.00 -3.10 0.00 0.00 33.47 28.64 2qky s TRP 734 CO -0.14 0.18 0.10 0.71 -2.66 0.00 0.00 176.95 175.14 2qky s TYR 735 N -2.29 1.58 -0.04 1.66 1.51 0.25 -4.88 117.35 115.13 2qky s TYR 735 Ca 0.41 -1.66 -0.38 0.00 -1.01 0.00 0.00 57.07 54.43 2qky s TYR 735 Cb -0.06 -1.64 -0.17 0.00 -0.11 0.00 0.00 41.96 39.98 2qky s TYR 735 CO 0.27 -0.87 1.46 2.41 -1.11 0.00 0.00 175.55 177.70 2qky n THR 736 N 4.88 0.10 -1.05 -0.71 -1.04 -1.26 -2.12 114.28 113.07 2qky n THR 736 Ca -0.02 -0.02 -0.05 0.00 -2.04 0.00 0.00 64.05 61.92 2qky n THR 736 Cb 0.42 -0.90 -0.02 0.00 -1.82 0.00 0.00 70.33 68.00 2qky n THR 736 CO 0.00 0.00 0.00 0.47 -0.64 0.00 0.00 175.07 174.90 2qky n ASP 737 N 3.39 -5.07 -4.90 8.00 8.00 -1.26 -4.89 116.55 119.81 2qky n ASP 737 Ca 0.21 0.12 -0.28 0.00 0.71 0.00 0.00 54.79 55.56 2qky n ASP 737 Cb 0.16 -3.42 -0.02 0.00 -0.02 0.00 0.00 41.12 37.82 2qky n ASP 737 CO 0.00 0.00 0.00 -1.61 -0.39 0.00 0.00 177.20 175.20 2qky s GLU 738 N -2.23 3.62 0.00 -1.24 0.41 -0.93 -4.67 118.70 113.65 2qky s GLU 738 Ca 0.00 0.14 0.00 0.00 -0.41 0.00 0.00 54.97 54.70 2qky s GLU 738 Cb 0.00 -2.49 0.00 0.00 -1.78 0.00 0.00 34.13 29.86 2qky s GLU 738 CO 0.00 -0.00 0.00 -0.40 -0.49 0.00 0.00 175.26 174.37 2qky n ASP 739 N -1.60 0.29 0.00 -0.19 5.68 -1.26 -1.73 116.55 117.73 2qky n ASP 739 Ca -0.00 0.00 0.03 0.00 -0.50 0.00 0.00 54.79 54.31 2qky n ASP 739 Cb 0.55 0.00 0.15 0.00 -1.14 0.00 0.00 41.12 40.68 2qky n ASP 739 CO 0.00 0.00 0.00 1.57 -1.33 0.00 0.00 177.20 177.44 2qky n HIS 740 N 0.00 0.00 -0.03 2.11 -0.00 -1.26 -2.11 115.22 113.93 2qky n HIS 740 Ca 0.00 0.00 0.02 0.00 -0.00 0.00 0.00 57.72 57.74 2qky n HIS 740 Cb 0.00 -0.20 -0.12 0.00 -0.00 0.00 0.00 29.99 29.67 2qky n HIS 740 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.34 176.75 2qky n GLY 741 N -0.76 -0.70 4.25 1.57 0.00 -1.26 -4.96 105.19 103.33 2qky n GLY 741 Ca 0.03 -0.32 -0.37 0.00 0.00 0.00 0.00 46.02 45.36 2qky n GLY 741 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 2qky n ILE 742 N -2.22 -0.79 0.80 -0.61 5.41 -0.90 -4.78 119.36 116.28 2qky n ILE 742 Ca -0.10 0.00 0.12 0.00 1.00 0.00 0.00 62.75 63.77 2qky n ILE 742 Cb 0.61 -1.42 0.29 0.00 -0.71 0.00 0.00 39.64 38.41 2qky n ILE 742 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 2qky n ALA 743 N -4.27 3.03 -1.67 -1.39 0.00 -1.26 -3.94 120.51 111.01 2qky n ALA 743 Ca 0.09 -0.25 -0.41 0.00 0.00 0.00 0.00 53.44 52.87 2qky n ALA 743 Cb 0.48 -1.22 0.01 0.00 0.00 0.00 0.00 19.45 18.72 2qky n ALA 743 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.50 176.37 2qky n SER 744 N -1.80 2.18 -0.01 0.00 3.41 -1.26 -4.73 113.62 111.42 2qky n SER 744 Ca 0.05 1.09 -0.07 0.00 -0.26 0.00 0.00 58.87 59.68 2qky n SER 744 Cb 0.38 -1.45 -0.05 0.00 -0.26 0.00 0.00 64.21 62.83 2qky n SER 744 CO 0.00 0.00 0.00 -1.28 -0.16 0.00 0.00 175.04 173.60 2qky h SER 745 N 1.95 -0.83 -0.64 4.04 0.87 -1.99 0.70 113.55 117.64 2qky h SER 745 Ca -0.47 0.10 0.11 0.00 -1.23 0.00 0.00 61.79 60.30 2qky h SER 745 Cb 1.31 0.33 -0.08 0.00 -0.44 0.00 0.00 62.40 63.51 2qky h SER 745 CO 0.59 -0.23 0.22 0.71 -0.53 0.00 0.00 176.83 177.59 2qky h THR 746 N -0.28 0.71 0.00 2.23 1.35 -1.97 0.22 112.91 115.17 2qky h THR 746 Ca 0.02 -0.13 -0.02 0.00 -0.55 0.00 0.00 66.41 65.73 2qky h THR 746 Cb 0.33 0.30 -0.00 0.00 -1.73 0.00 0.00 68.15 67.04 2qky h THR 746 CO -0.21 0.07 -0.07 0.00 -0.25 0.00 0.00 175.52 175.05 2qky h ALA 747 N 1.46 1.10 0.01 6.62 0.00 -1.84 -0.87 119.26 125.75 2qky h ALA 747 Ca 0.33 -0.07 -0.00 0.00 0.00 0.00 0.00 54.91 55.18 2qky h ALA 747 Cb 0.46 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.24 2qky h ALA 747 CO -0.35 0.09 -0.00 1.25 0.00 0.00 0.00 179.25 180.23 2qky h HIS 748 N 0.00 -0.01 -0.41 0.00 2.76 0.11 -1.90 115.15 115.70 2qky h HIS 748 Ca -0.00 -0.00 -0.03 0.00 -2.20 0.00 0.00 60.37 58.14 2qky h HIS 748 Cb 0.39 0.00 -0.02 0.00 1.55 0.00 0.00 27.41 29.33 2qky h HIS 748 CO 0.00 0.77 0.12 1.96 -1.30 0.00 0.00 177.93 179.48 2qky h GLN 749 N -0.98 0.60 -0.27 5.26 4.20 -1.13 -2.77 115.11 120.04 2qky h GLN 749 Ca -0.00 -0.09 -0.14 0.00 0.06 0.00 0.00 58.65 58.48 2qky h GLN 749 Cb 0.78 -0.11 -0.00 0.00 0.30 0.00 0.00 27.48 28.45 2qky h GLN 749 CO 0.00 0.53 -0.36 1.25 -0.67 0.00 0.00 178.83 179.58 2qky h HIS 750 N 0.59 0.88 0.00 2.96 2.76 -1.24 -2.05 115.15 119.05 2qky h HIS 750 Ca 0.14 -0.29 -0.00 0.00 -2.20 0.00 0.00 60.37 58.02 2qky h HIS 750 Cb 0.19 -0.18 -0.00 0.00 1.55 0.00 0.00 27.41 28.97 2qky h HIS 750 CO 0.01 1.05 -0.01 0.97 -1.30 0.00 0.00 177.93 178.66 2qky h ILE 751 N 0.45 0.02 0.12 6.26 2.10 -1.11 -0.79 117.51 124.55 2qky h ILE 751 Ca 0.03 -0.53 -0.36 0.00 1.08 0.00 0.00 64.86 65.08 2qky h ILE 751 Cb 0.95 1.52 -0.02 0.00 -1.09 0.00 0.00 36.82 38.18 2qky h ILE 751 CO 0.08 0.01 -2.00 -1.22 -1.08 0.00 0.00 178.15 173.94 2qky n TYR 752 N -3.10 1.21 0.09 2.19 4.01 -1.06 -2.69 117.16 117.80 2qky n TYR 752 Ca 0.01 0.26 0.05 0.00 -0.16 0.00 0.00 57.90 58.05 2qky n TYR 752 Cb 0.31 -1.16 0.47 0.00 -0.31 0.00 0.00 39.34 38.66 2qky n TYR 752 CO 0.00 0.00 0.00 1.15 -0.46 0.00 0.00 176.86 177.55 2qky h THR 753 N 0.04 1.09 -0.00 -0.72 2.02 -1.12 0.61 112.91 114.84 2qky h THR 753 Ca -0.43 -0.24 -0.10 0.00 0.77 0.00 0.00 66.41 66.41 2qky h THR 753 Cb 2.01 0.75 0.01 0.00 -1.74 0.00 0.00 68.15 69.18 2qky h THR 753 CO 0.07 0.10 -0.37 -0.74 0.37 0.00 0.00 175.52 174.95 2qky h HIS 754 N 0.36 0.38 0.08 3.16 -0.00 -1.27 -3.18 115.15 114.68 2qky h HIS 754 Ca 0.09 -0.21 0.00 0.00 -0.00 0.00 0.00 60.37 60.26 2qky h HIS 754 Cb 0.03 -0.04 -0.01 0.00 -0.00 0.00 0.00 27.41 27.39 2qky h HIS 754 CO 0.00 1.02 -0.08 0.52 -0.00 0.00 0.00 177.93 179.38 2qky h MET 755 N -0.37 -0.18 -0.53 5.26 2.07 -1.08 -1.86 114.93 118.24 2qky h MET 755 Ca -0.05 0.01 0.11 0.00 -2.07 0.00 0.00 59.70 57.70 2qky h MET 755 Cb 1.12 0.04 -0.10 0.00 -1.87 0.00 0.00 31.60 30.79 2qky h MET 755 CO 0.07 -0.12 -0.17 0.77 1.07 0.00 0.00 176.91 178.53 2qky h SER 756 N -0.18 -0.61 -0.89 1.22 0.02 -1.04 0.28 113.55 112.34 2qky h SER 756 Ca 0.00 0.17 0.13 0.00 -0.84 0.00 0.00 61.79 61.25 2qky h SER 756 Cb 0.18 0.37 -0.07 0.00 0.14 0.00 0.00 62.40 63.02 2qky h SER 756 CO -0.02 -0.21 0.57 0.45 -1.14 0.00 0.00 176.83 176.48 2qky h HIS 757 N -0.04 0.88 -0.13 3.45 3.86 -1.45 0.27 115.15 121.98 2qky h HIS 757 Ca 0.25 0.02 -0.10 0.00 -1.16 0.00 0.00 60.37 59.39 2qky h HIS 757 Cb 0.43 -0.28 -0.01 0.00 1.06 0.00 0.00 27.41 28.61 2qky h HIS 757 CO -0.47 0.35 -0.36 0.35 0.86 0.00 0.00 177.93 178.65 2qky h PHE 758 N 0.76 0.30 0.09 2.45 3.57 0.31 -2.48 116.94 121.94 2qky h PHE 758 Ca 0.44 -0.07 -0.00 0.00 3.53 0.00 0.00 57.97 61.86 2qky h PHE 758 Cb 0.61 -0.07 0.00 0.00 2.79 0.00 0.00 35.95 39.28 2qky h PHE 758 CO -0.00 0.60 -0.04 0.82 -2.23 0.00 0.00 178.31 177.45 2qky h ILE 759 N 0.23 1.05 -1.00 1.41 1.08 0.93 -2.92 117.51 118.29 2qky h ILE 759 Ca 0.03 -1.42 0.15 0.00 -0.39 0.00 0.00 64.86 63.22 2qky h ILE 759 Cb 0.75 1.84 -0.09 0.00 -3.07 0.00 0.00 36.82 36.24 2qky h ILE 759 CO 0.06 0.30 0.62 0.11 -0.69 0.00 0.00 178.15 178.55 2qky h LYS 760 N -0.87 0.88 -0.67 2.37 1.57 -0.69 0.15 116.57 119.31 2qky h LYS 760 Ca -0.01 -0.05 -0.07 0.00 -1.87 0.00 0.00 60.65 58.64 2qky h LYS 760 Cb 0.58 -0.20 -0.03 0.00 0.08 0.00 0.00 32.23 32.67 2qky h LYS 760 CO 0.02 0.58 0.13 0.37 -0.57 0.00 0.00 179.45 179.98 2qky h GLN 761 N 0.90 1.08 -0.23 3.15 -0.00 -1.54 0.34 115.11 118.82 2qky h GLN 761 Ca 0.53 -0.27 -0.17 0.00 -0.00 0.00 0.00 58.65 58.73 2qky h GLN 761 Cb 0.65 -0.14 -0.00 0.00 0.00 0.00 0.00 27.48 27.99 2qky h GLN 761 CO -0.31 0.98 -0.55 0.00 0.00 0.00 0.00 178.83 178.95 2qky n PHE 763 N -3.98 0.00 -2.42 0.00 3.72 0.31 -4.94 117.46 110.15 2qky n PHE 763 Ca -0.04 0.00 -0.11 0.00 -0.05 0.00 0.00 57.45 57.25 2qky n PHE 763 Cb 0.62 -0.10 0.01 0.00 -0.94 0.00 0.00 39.48 39.07 2qky n PHE 763 CO 0.00 0.00 0.00 0.43 -0.05 0.00 0.00 176.76 177.14 2qky n SER 764 N -0.46 -3.74 -4.82 4.37 7.64 0.83 -5.02 113.62 112.41 2qky n SER 764 Ca 0.13 -0.08 -0.36 0.00 1.01 0.00 0.00 58.87 59.57 2qky n SER 764 Cb 0.35 -2.81 -0.06 0.00 -1.01 0.00 0.00 64.21 60.68 2qky n SER 764 CO 0.00 0.00 0.00 -0.76 -3.01 0.00 0.00 175.04 171.27 2qky s LEU 765 N -3.41 4.36 0.00 -3.43 1.43 0.80 -5.00 118.68 113.42 2qky s LEU 765 Ca 0.08 1.31 0.21 0.00 -1.03 0.00 0.00 54.13 54.70 2qky s LEU 765 Cb -0.03 -3.43 1.28 0.00 0.03 0.00 0.00 46.19 44.03 2qky s LEU 765 CO 0.09 0.08 1.66 -2.65 0.23 0.00 0.00 176.35 175.76