#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 4.50 1.00 -2.82 0.52 -1.26 -5.04 118.95 115.85 2qky s ARG 40 Ca 0.00 1.56 -0.12 0.00 -0.52 0.00 0.00 55.73 56.65 2qky s ARG 40 Cb 0.00 -2.90 0.19 0.00 0.52 0.00 0.00 34.95 32.76 2qky s ARG 40 CO 0.00 0.15 1.08 -1.59 0.02 0.00 0.00 175.30 174.96 2qky s LYS 41 N -1.89 0.37 0.56 3.54 -2.85 -1.26 -4.49 119.74 113.71 2qky s LYS 41 Ca 0.50 0.90 0.06 0.00 -1.00 0.00 0.00 55.97 56.43 2qky s LYS 41 Cb -0.25 -1.70 0.07 0.00 -2.06 0.00 0.00 37.83 33.89 2qky s LYS 41 CO 0.32 -2.87 0.77 0.95 0.10 0.00 0.00 175.35 174.61 2qky s THR 42 N -2.74 2.44 -0.48 3.79 -4.23 -1.26 -1.34 115.64 111.83 2qky s THR 42 Ca 0.66 -0.88 -0.24 0.00 -1.18 0.00 0.00 61.69 60.05 2qky s THR 42 Cb -0.21 -2.56 0.03 0.00 1.34 0.00 0.00 72.50 71.10 2qky s THR 42 CO 0.60 0.00 0.87 -0.47 -0.54 0.00 0.00 174.62 175.08 2qky s TYR 43 N -2.68 2.92 0.50 3.99 5.04 -1.25 -4.78 117.35 121.09 2qky s TYR 43 Ca 0.60 0.17 -0.02 0.00 -2.44 0.00 0.00 57.07 55.38 2qky s TYR 43 Cb -0.07 -3.88 0.00 0.00 0.35 0.00 0.00 41.96 38.36 2qky s TYR 43 CO 0.38 -1.13 0.75 0.95 -1.34 0.00 0.00 175.55 175.17 2qky s THR 44 N 3.61 3.89 0.15 4.34 -4.23 -1.26 -4.18 115.64 117.96 2qky s THR 44 Ca 0.32 -0.31 -0.17 0.00 -1.18 0.00 0.00 61.69 60.35 2qky s THR 44 Cb -0.12 -3.47 0.02 0.00 1.34 0.00 0.00 72.50 70.27 2qky s THR 44 CO 0.23 -0.39 1.74 0.25 -0.54 0.00 0.00 174.62 175.91 2qky h LEU 45 N 0.20 0.09 -0.81 4.79 5.85 -1.95 -1.51 115.31 121.97 2qky h LEU 45 Ca -0.46 0.04 0.09 0.00 0.84 0.00 0.00 57.88 58.39 2qky h LEU 45 Cb 1.25 0.04 -0.07 0.00 0.37 0.00 0.00 40.66 42.25 2qky h LEU 45 CO 0.58 0.09 0.46 0.74 -0.34 0.00 0.00 178.44 179.97 2qky h THR 46 N 0.23 0.92 -0.63 1.05 2.02 -1.98 0.22 112.91 114.75 2qky h THR 46 Ca 0.15 -0.27 0.12 0.00 0.77 0.00 0.00 66.41 67.19 2qky h THR 46 Cb 0.14 0.07 -0.04 0.00 -1.74 0.00 0.00 68.15 66.58 2qky h THR 46 CO -0.17 0.14 0.43 0.44 0.37 0.00 0.00 175.52 176.72 2qky h ASP 47 N 0.78 0.31 0.01 4.18 3.45 -1.68 1.01 116.42 124.49 2qky h ASP 47 Ca 0.39 0.01 -0.07 0.00 0.43 0.00 0.00 57.03 57.79 2qky h ASP 47 Cb 0.34 -0.05 0.01 0.00 -0.56 0.00 0.00 39.33 39.06 2qky h ASP 47 CO -0.24 0.18 -0.28 0.22 -1.57 0.00 0.00 179.24 177.55 2qky h TYR 48 N 0.34 0.26 -0.31 4.55 3.20 -0.12 -1.52 116.97 123.37 2qky h TYR 48 Ca 0.30 -0.15 -0.18 0.00 3.14 0.00 0.00 58.73 61.84 2qky h TYR 48 Cb 0.71 -0.03 -0.00 0.00 1.54 0.00 0.00 36.73 38.95 2qky h TYR 48 CO -0.00 0.98 -0.51 -0.07 -1.64 0.00 0.00 178.16 176.92 2qky h LEU 49 N -0.53 0.97 -0.81 2.82 3.38 -0.46 -3.10 115.31 117.58 2qky h LEU 49 Ca -0.04 -0.50 0.00 0.00 0.09 0.00 0.00 57.88 57.43 2qky h LEU 49 Cb 1.07 -0.28 0.00 0.00 0.09 0.00 0.00 40.66 41.54 2qky h LEU 49 CO 0.05 1.30 0.00 0.29 0.09 0.00 0.00 178.44 180.18 2qky n LYS 50 N -4.02 1.54 -3.81 1.13 4.76 0.34 -4.93 118.16 113.18 2qky n LYS 50 Ca -0.04 -0.81 -0.25 0.00 -2.87 0.00 0.00 58.31 54.34 2qky n LYS 50 Cb 0.61 -1.42 0.03 0.00 -1.84 0.00 0.00 35.03 32.40 2qky n LYS 50 CO 0.00 0.00 0.00 -1.71 -1.37 0.00 0.00 177.40 174.32 2qky n ASN 51 N 0.00 -2.76 -0.20 4.39 4.05 -0.79 -4.87 115.26 115.08 2qky n ASN 51 Ca 0.18 -0.81 -0.08 0.00 0.45 0.00 0.00 54.58 54.32 2qky n ASN 51 Cb 0.28 -3.94 0.02 0.00 1.23 0.00 0.00 39.78 37.38 2qky n ASN 51 CO 0.00 0.00 0.00 0.71 -3.05 0.00 0.00 177.26 174.92 2qky h THR 52 N -1.97 1.23 -3.52 -0.44 1.35 -1.56 -3.32 112.91 104.67 2qky h THR 52 Ca -0.60 -0.74 -0.78 0.00 -0.55 0.00 0.00 66.41 63.74 2qky h THR 52 Cb 1.37 0.66 -0.25 0.00 -1.73 0.00 0.00 68.15 68.20 2qky h THR 52 CO 0.62 0.28 0.34 -0.31 -0.25 0.00 0.00 175.52 176.20 2qky s TYR 53 N -5.49 3.83 0.10 4.73 2.02 -1.26 -5.01 117.35 116.27 2qky s TYR 53 Ca -0.13 -2.14 -0.31 0.00 -0.37 0.00 0.00 57.07 54.12 2qky s TYR 53 Cb 0.12 -3.90 -0.08 0.00 -0.40 0.00 0.00 41.96 37.70 2qky s TYR 53 CO 0.79 -1.05 1.49 -0.98 -1.57 0.00 0.00 175.55 174.23 2qky s ARG 54 N 0.09 4.26 -0.24 -0.62 3.03 -1.25 -5.00 118.95 119.23 2qky s ARG 54 Ca 0.24 2.19 -0.16 0.00 2.03 0.00 0.00 55.73 60.04 2qky s ARG 54 Cb -0.09 -3.35 -0.04 0.00 -1.03 0.00 0.00 34.95 30.45 2qky s ARG 54 CO -0.08 -0.57 0.39 -1.17 -1.13 0.00 0.00 175.30 172.75 2qky s LEU 55 N 1.64 4.10 0.68 -1.89 2.96 -1.26 -4.76 118.68 120.14 2qky s LEU 55 Ca 0.68 0.41 -0.04 0.00 -0.22 0.00 0.00 54.13 54.96 2qky s LEU 55 Cb -0.38 -2.48 0.07 0.00 0.50 0.00 0.00 46.19 43.89 2qky s LEU 55 CO 0.30 -0.14 0.97 -0.54 -1.32 0.00 0.00 176.35 175.62 2qky s LYS 56 N 1.71 2.11 0.00 1.98 1.02 -1.26 -5.10 119.74 120.21 2qky s LYS 56 Ca 0.17 -0.53 -0.00 0.00 0.02 0.00 0.00 55.97 55.63 2qky s LYS 56 Cb -0.15 -2.26 0.00 0.00 -0.52 0.00 0.00 37.83 34.90 2qky s LYS 56 CO 0.09 -1.20 0.00 1.47 -0.92 0.00 0.00 175.35 174.79 2qky n LEU 57 N -2.81 0.00 -3.17 3.17 -0.00 -1.26 -4.95 117.00 107.97 2qky n LEU 57 Ca 0.09 -0.02 -0.11 0.00 -0.00 0.00 0.00 56.01 55.98 2qky n LEU 57 Cb 0.60 0.02 -0.04 0.00 -0.00 0.00 0.00 43.42 44.00 2qky n LEU 57 CO 0.48 -0.01 -0.05 -0.47 -0.00 0.00 0.00 177.39 177.35 2qky s TYR 58 N -8.32 -0.76 -0.25 1.47 6.14 -1.26 -4.91 117.35 109.46 2qky s TYR 58 Ca 0.00 -0.75 -0.20 0.00 0.64 0.00 0.00 57.07 56.76 2qky s TYR 58 Cb -0.00 -0.13 -0.02 0.00 0.42 0.00 0.00 41.96 42.23 2qky s TYR 58 CO 0.00 -1.08 0.63 -1.12 0.64 0.00 0.00 175.55 174.62 2qky s SER 59 N 1.16 6.58 0.22 4.32 0.01 -1.26 -5.06 113.70 119.68 2qky s SER 59 Ca 0.23 0.71 0.09 0.00 1.31 0.00 0.00 55.95 58.29 2qky s SER 59 Cb -0.06 -2.34 -0.05 0.00 0.21 0.00 0.00 66.02 63.79 2qky s SER 59 CO -0.07 -0.37 -0.16 -1.48 0.41 0.00 0.00 173.24 171.57 2qky s LEU 60 N 2.50 2.56 -0.22 2.44 0.05 -1.26 -4.70 118.68 120.06 2qky s LEU 60 Ca 0.26 -1.02 -0.00 0.00 0.05 0.00 0.00 54.13 53.42 2qky s LEU 60 Cb -0.15 -0.79 0.06 0.00 -2.05 0.00 0.00 46.19 43.25 2qky s LEU 60 CO 0.08 -0.11 -0.03 -0.13 -0.55 0.00 0.00 176.35 175.61 2qky s ARG 61 N -3.58 1.37 0.22 1.48 0.52 -0.59 -4.94 118.95 113.43 2qky s ARG 61 Ca 0.24 -0.79 -0.31 0.00 -0.52 0.00 0.00 55.73 54.35 2qky s ARG 61 Cb -0.02 -2.40 -0.11 0.00 0.52 0.00 0.00 34.95 32.94 2qky s ARG 61 CO 0.09 -0.58 1.67 -1.58 0.02 0.00 0.00 175.30 174.91 2qky s TRP 62 N 1.54 2.90 0.00 -0.53 0.52 -1.26 -0.71 118.94 121.40 2qky s TRP 62 Ca -0.04 0.48 0.00 0.00 0.02 0.00 0.00 56.10 56.57 2qky s TRP 62 Cb -0.18 -4.09 0.00 0.00 -1.15 0.00 0.00 33.47 28.05 2qky s TRP 62 CO -0.07 -4.01 0.95 0.44 0.02 0.00 0.00 176.95 174.28 2qky n ILE 63 N 3.60 0.90 -2.41 2.03 -5.35 -0.58 -4.91 119.36 112.64 2qky n ILE 63 Ca 0.14 -0.93 0.00 0.00 -0.27 0.00 0.00 62.75 61.69 2qky n ILE 63 Cb 0.36 0.55 0.00 0.00 -1.74 0.00 0.00 39.64 38.81 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 -0.45 0.00 -0.10 7.28 3.41 -1.14 -4.95 113.62 117.66 2qky n SER 64 Ca 0.00 0.00 0.10 0.00 -0.26 0.00 0.00 58.87 58.71 2qky n SER 64 Cb 0.24 0.00 -0.05 0.00 -0.26 0.00 0.00 64.21 64.15 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 0.00 1.16 0.00 4.04 2.03 -1.26 -0.77 116.55 121.75 2qky n ASP 65 Ca 0.00 -1.03 0.00 0.00 0.52 0.00 0.00 54.79 54.28 2qky n ASP 65 Cb 0.00 0.80 0.00 0.00 -0.72 0.00 0.00 41.12 41.20 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 -1.19 0.00 -4.54 -0.67 1.44 -1.26 -4.48 115.22 104.53 2qky n HIS 66 Ca 0.05 0.00 -0.23 0.00 -2.01 0.00 0.00 57.72 55.53 2qky n HIS 66 Cb 0.36 0.01 -0.16 0.00 0.12 0.00 0.00 29.99 30.31 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 1.37 0.17 -1.40 2.02 -1.26 0.13 118.70 119.73 2qky s GLU 67 Ca 0.00 -0.39 0.07 0.00 0.02 0.00 0.00 54.97 54.67 2qky s GLU 67 Cb 0.00 -1.20 -0.04 0.00 0.10 0.00 0.00 34.13 32.99 2qky s GLU 67 CO 0.00 0.10 -0.15 1.52 0.02 0.00 0.00 175.26 176.75 2qky s TYR 68 N 0.35 1.62 -0.13 1.61 -0.85 -0.53 -1.53 117.35 117.90 2qky s TYR 68 Ca -0.07 -0.56 -0.04 0.00 -0.52 0.00 0.00 57.07 55.88 2qky s TYR 68 Cb -0.12 -0.80 -0.03 0.00 0.38 0.00 0.00 41.96 41.39 2qky s TYR 68 CO 0.02 0.27 0.01 -0.51 -1.52 0.00 0.00 175.55 173.82 2qky s LEU 69 N -2.90 3.59 0.01 -3.49 1.43 0.11 -0.53 118.68 116.90 2qky s LEU 69 Ca 0.17 0.08 0.00 0.00 -1.03 0.00 0.00 54.13 53.34 2qky s LEU 69 Cb -0.03 -1.86 -0.01 0.00 0.03 0.00 0.00 46.19 44.33 2qky s LEU 69 CO 0.05 0.28 -0.01 -0.47 0.23 0.00 0.00 176.35 176.43 2qky s TYR 70 N -0.29 0.12 0.26 0.29 5.04 -1.06 -1.54 117.35 120.17 2qky s TYR 70 Ca 0.07 -0.21 -0.16 0.00 -2.44 0.00 0.00 57.07 54.33 2qky s TYR 70 Cb -0.12 -0.08 -0.08 0.00 0.35 0.00 0.00 41.96 42.02 2qky s TYR 70 CO 0.02 -0.07 0.69 0.15 -1.34 0.00 0.00 175.55 174.99 2qky s LYS 71 N -0.58 4.06 -0.51 4.97 1.02 -1.26 0.10 119.74 127.54 2qky s LYS 71 Ca -0.06 0.67 0.07 0.00 0.02 0.00 0.00 55.97 56.66 2qky s LYS 71 Cb -0.04 -2.66 0.19 0.00 -0.52 0.00 0.00 37.83 34.80 2qky s LYS 71 CO -0.00 0.29 0.70 0.94 -0.92 0.00 0.00 175.35 176.36 2qky n GLN 72 N 0.16 0.52 -1.37 1.68 0.00 -1.24 -4.89 117.38 112.25 2qky n GLN 72 Ca 0.00 -2.13 0.00 0.00 -0.00 0.00 0.00 57.00 54.87 2qky n GLN 72 Cb 0.52 -1.49 0.00 0.00 0.00 0.00 0.00 30.24 29.28 2qky n GLN 72 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.06 177.45 2qky n GLU 73 N 2.88 0.00 -0.89 3.69 -0.58 -1.26 -4.31 120.64 120.16 2qky n GLU 73 Ca 0.19 0.00 0.00 0.00 -0.42 0.00 0.00 57.16 56.93 2qky n GLU 73 Cb 0.56 -1.48 0.00 0.00 -0.57 0.00 0.00 31.44 29.95 2qky n GLU 73 CO 0.00 0.00 0.00 0.09 -0.48 0.00 0.00 177.13 176.74 2qky n ASN 74 N -1.15 -2.05 -3.71 1.62 5.03 -1.26 -4.80 115.26 108.94 2qky n ASN 74 Ca 0.00 0.00 -0.28 0.00 0.87 0.00 0.00 54.58 55.17 2qky n ASN 74 Cb 0.42 -1.38 -0.16 0.00 -1.02 0.00 0.00 39.78 37.64 2qky n ASN 74 CO 0.00 0.00 0.00 0.54 -1.83 0.00 0.00 177.26 175.97 2qky s ASN 75 N -2.30 3.30 -0.17 6.41 2.20 -1.26 -3.86 114.94 119.26 2qky s ASN 75 Ca 0.00 -1.11 -0.39 0.00 -0.94 0.00 0.00 52.86 50.42 2qky s ASN 75 Cb 0.00 -0.63 -0.16 0.00 -2.00 0.00 0.00 41.25 38.46 2qky s ASN 75 CO 0.00 -0.36 1.63 -0.38 -2.94 0.00 0.00 177.10 175.05 2qky n ILE 76 N 5.02 0.22 -3.80 0.54 5.41 -1.11 -3.59 119.36 122.05 2qky n ILE 76 Ca -0.07 -0.04 -0.22 0.00 1.00 0.00 0.00 62.75 63.43 2qky n ILE 76 Cb 0.45 -1.11 -0.04 0.00 -0.71 0.00 0.00 39.64 38.23 2qky n ILE 76 CO 0.00 0.00 0.00 -0.76 0.00 0.00 0.00 176.55 175.79 2qky s LEU 77 N 2.65 3.44 -0.29 1.39 1.02 0.29 -0.24 118.68 126.94 2qky s LEU 77 Ca 0.94 -0.67 0.02 0.00 0.02 0.00 0.00 54.13 54.44 2qky s LEU 77 Cb -1.03 -2.03 0.08 0.00 0.02 0.00 0.00 46.19 43.23 2qky s LEU 77 CO 0.60 -0.46 0.01 0.54 0.02 0.00 0.00 176.35 177.06 2qky s VAL 78 N -2.40 1.70 0.34 -1.59 0.11 -0.55 -2.55 120.40 115.45 2qky s VAL 78 Ca 0.43 -1.67 -0.13 0.00 -2.93 0.00 0.00 61.98 57.68 2qky s VAL 78 Cb -0.04 -2.11 -0.08 0.00 -1.53 0.00 0.00 36.38 32.63 2qky s VAL 78 CO 0.26 -0.38 0.73 -0.36 -3.33 0.00 0.00 175.10 172.02 2qky s PHE 79 N 1.25 3.41 -0.23 1.54 0.08 0.31 -3.64 117.98 120.69 2qky s PHE 79 Ca 0.03 1.13 -0.01 0.00 0.12 0.00 0.00 56.93 58.19 2qky s PHE 79 Cb -0.19 -2.48 0.02 0.00 -0.57 0.00 0.00 43.02 39.81 2qky s PHE 79 CO -0.11 0.05 -0.09 1.21 -0.10 0.00 0.00 175.22 176.18 2qky s ASN 80 N -2.56 4.10 0.22 1.36 3.84 -1.21 -1.46 114.94 119.23 2qky s ASN 80 Ca 0.53 -0.82 -0.08 0.00 0.21 0.00 0.00 52.86 52.70 2qky s ASN 80 Cb -0.10 -1.63 0.33 0.00 -0.55 0.00 0.00 41.25 39.30 2qky s ASN 80 CO 0.22 -0.10 1.74 0.00 -2.79 0.00 0.00 177.10 176.18 2qky h ALA 81 N 7.99 0.88 -0.87 1.71 0.00 -0.68 0.80 119.26 129.08 2qky h ALA 81 Ca -0.35 0.09 0.08 0.00 0.00 0.00 0.00 54.91 54.73 2qky h ALA 81 Cb 1.11 0.05 -0.06 0.00 0.00 0.00 0.00 17.79 18.90 2qky h ALA 81 CO 0.58 -0.18 0.56 1.49 0.00 0.00 0.00 179.25 181.71 2qky h GLU 82 N 0.44 0.88 0.00 0.00 4.57 -1.96 -3.33 114.58 115.18 2qky h GLU 82 Ca 0.34 -0.05 -0.02 0.00 -1.18 0.00 0.00 59.36 58.45 2qky h GLU 82 Cb 0.44 -0.20 -0.00 0.00 -0.16 0.00 0.00 28.75 28.83 2qky h GLU 82 CO -0.33 0.58 -1.12 0.66 -1.18 0.00 0.00 179.01 177.63 2qky n TYR 83 N -4.51 0.00 0.00 0.92 4.01 -0.94 -5.02 117.16 111.62 2qky n TYR 83 Ca 0.14 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.88 2qky n TYR 83 Cb 0.26 -0.07 0.00 0.00 -0.31 0.00 0.00 39.34 39.22 2qky n TYR 83 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 2qky n GLY 84 N 2.63 2.40 3.35 2.72 0.00 0.27 -5.02 105.19 111.54 2qky n GLY 84 Ca -0.02 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.71 2qky n GLY 84 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 2qky n ASN 85 N 0.00 -2.30 -3.61 1.61 6.94 -1.26 -4.68 115.26 111.96 2qky n ASN 85 Ca 0.00 -0.24 -0.09 0.00 -0.02 0.00 0.00 54.58 54.24 2qky n ASN 85 Cb 0.00 -1.09 -0.06 0.00 -2.36 0.00 0.00 39.78 36.27 2qky n ASN 85 CO 0.00 0.00 0.00 -0.55 -1.03 0.00 0.00 177.26 175.68 2qky s SER 86 N -2.18 -0.35 0.19 0.53 0.15 -1.26 -3.34 113.70 107.45 2qky s SER 86 Ca 0.62 0.51 0.07 0.00 0.70 0.00 0.00 55.95 57.85 2qky s SER 86 Cb -0.18 0.47 -0.05 0.00 -1.71 0.00 0.00 66.02 64.55 2qky s SER 86 CO 0.64 -0.23 -0.12 -0.44 1.20 0.00 0.00 173.24 174.29 2qky s SER 87 N -0.55 2.31 -0.04 5.45 0.01 -1.24 -4.96 113.70 114.68 2qky s SER 87 Ca 0.01 -1.03 -0.30 0.00 1.31 0.00 0.00 55.95 55.95 2qky s SER 87 Cb -0.02 -0.09 -0.04 0.00 0.21 0.00 0.00 66.02 66.07 2qky s SER 87 CO -0.03 -0.24 1.29 -0.69 0.41 0.00 0.00 173.24 173.98 2qky s VAL 88 N -3.10 4.04 -0.19 3.43 1.01 -1.26 -1.49 120.40 122.84 2qky s VAL 88 Ca 0.21 1.38 0.04 0.00 0.00 0.00 0.00 61.98 63.61 2qky s VAL 88 Cb 0.01 -3.89 -0.21 0.00 0.00 0.00 0.00 36.38 32.28 2qky s VAL 88 CO 0.05 -0.01 0.06 0.33 0.00 0.00 0.00 175.10 175.53 2qky n PHE 89 N 5.37 0.41 -3.45 5.22 -0.00 0.67 -4.82 117.46 120.85 2qky n PHE 89 Ca 0.12 0.10 -0.24 0.00 -0.00 0.00 0.00 57.45 57.43 2qky n PHE 89 Cb 0.45 -1.06 -0.11 0.00 -0.00 0.00 0.00 39.48 38.76 2qky n PHE 89 CO 0.00 0.00 0.00 -1.17 -0.00 0.00 0.00 176.76 175.59 2qky s LEU 90 N -6.42 0.36 0.09 -2.13 2.96 0.16 -4.99 118.68 108.71 2qky s LEU 90 Ca -0.24 -1.51 -0.36 0.00 -0.22 0.00 0.00 54.13 51.80 2qky s LEU 90 Cb 0.08 0.03 -0.16 0.00 0.50 0.00 0.00 46.19 46.63 2qky s LEU 90 CO 0.71 -0.35 1.39 -0.62 -1.32 0.00 0.00 176.35 176.16 2qky n GLU 91 N 4.68 1.32 -0.28 1.98 -0.58 -1.26 -2.76 120.64 123.73 2qky n GLU 91 Ca 0.04 0.48 0.08 0.00 -0.42 0.00 0.00 57.16 57.33 2qky n GLU 91 Cb 0.42 -2.14 0.23 0.00 -0.57 0.00 0.00 31.44 29.37 2qky n GLU 91 CO 0.00 0.00 0.00 -2.95 -0.48 0.00 0.00 177.13 173.70 2qky h ASN 92 N 4.88 0.40 0.00 1.62 7.08 -1.87 -2.38 115.58 125.31 2qky h ASN 92 Ca -0.47 0.11 0.00 0.00 -3.08 0.00 0.00 56.30 52.86 2qky h ASN 92 Cb 1.32 0.06 0.00 0.00 -2.08 0.00 0.00 38.32 37.62 2qky h ASN 92 CO 0.80 0.14 0.00 -1.54 -2.08 0.00 0.00 177.43 174.75 2qky n SER 93 N -4.95 2.92 -0.07 6.14 3.41 -1.26 -4.05 113.62 115.76 2qky n SER 93 Ca 0.17 -1.75 -0.05 0.00 -0.26 0.00 0.00 58.87 56.98 2qky n SER 93 Cb 0.47 -0.54 -0.02 0.00 -0.26 0.00 0.00 64.21 63.86 2qky n SER 93 CO 0.00 0.00 0.00 0.74 -0.16 0.00 0.00 175.04 175.62 2qky h THR 94 N 0.46 0.12 -0.61 6.66 2.02 -1.79 -3.38 112.91 116.39 2qky h THR 94 Ca 0.00 -1.12 -0.39 0.00 0.77 0.00 0.00 66.41 65.66 2qky h THR 94 Cb 0.81 0.26 -0.16 0.00 -1.74 0.00 0.00 68.15 67.31 2qky h THR 94 CO 0.00 0.04 0.49 0.49 0.37 0.00 0.00 175.52 176.91 2qky n PHE 95 N -4.65 1.81 -0.04 3.16 3.72 -1.26 -4.48 117.46 115.72 2qky n PHE 95 Ca -0.07 -2.13 -0.14 0.00 -0.05 0.00 0.00 57.45 55.06 2qky n PHE 95 Cb 0.22 -1.07 -0.11 0.00 -0.94 0.00 0.00 39.48 37.58 2qky n PHE 95 CO 0.00 0.00 0.00 -0.44 -0.05 0.00 0.00 176.76 176.27 2qky h ASP 96 N 1.69 0.04 -0.46 4.37 5.19 -1.83 -3.15 116.42 122.27 2qky h ASP 96 Ca 0.35 -0.71 -0.20 0.00 -0.62 0.00 0.00 57.03 55.85 2qky h ASP 96 Cb 0.87 -0.01 -0.12 0.00 0.18 0.00 0.00 39.33 40.25 2qky h ASP 96 CO 0.90 0.75 0.25 1.21 -3.12 0.00 0.00 179.24 179.23 2qky n GLU 97 N -4.71 1.99 0.33 3.56 4.07 -1.26 -4.24 120.64 120.38 2qky n GLU 97 Ca -0.09 -1.56 -0.16 0.00 -0.06 0.00 0.00 57.16 55.29 2qky n GLU 97 Cb 0.37 -1.68 -0.08 0.00 -0.06 0.00 0.00 31.44 29.99 2qky n GLU 97 CO 0.00 0.00 0.00 0.35 -0.06 0.00 0.00 177.13 177.42 2qky h PHE 98 N 0.91 -0.79 -0.00 4.31 3.57 -1.86 -3.48 116.94 119.60 2qky h PHE 98 Ca 0.24 -0.02 0.00 0.00 3.53 0.00 0.00 57.97 61.72 2qky h PHE 98 Cb 1.78 0.26 0.00 0.00 2.79 0.00 0.00 35.95 40.78 2qky h PHE 98 CO 0.75 -0.45 0.00 0.41 -2.23 0.00 0.00 178.31 176.79 2qky n GLY 99 N -0.90 1.91 3.50 2.40 0.00 -1.26 -5.11 105.19 105.73 2qky n GLY 99 Ca -0.12 -0.04 -0.14 0.00 0.00 0.00 0.00 46.02 45.72 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 -2.00 -0.53 -0.50 1.61 3.76 -1.26 -5.11 115.29 111.26 2qky s HIS 100 Ca 0.00 0.70 -0.21 0.00 -0.15 0.00 0.00 55.06 55.40 2qky s HIS 100 Cb 0.00 0.47 0.04 0.00 1.11 0.00 0.00 32.58 34.21 2qky s HIS 100 CO 0.00 -0.61 0.72 0.45 -0.85 0.00 0.00 174.74 174.45 2qky s SER 101 N -1.76 6.28 0.24 1.40 0.15 -1.26 -5.00 113.70 113.75 2qky s SER 101 Ca -0.04 -0.61 -0.30 0.00 0.70 0.00 0.00 55.95 55.71 2qky s SER 101 Cb -0.00 -2.34 -0.10 0.00 -1.71 0.00 0.00 66.02 61.87 2qky s SER 101 CO -0.00 -0.95 1.40 -0.63 1.20 0.00 0.00 173.24 174.26 2qky s ILE 102 N 3.03 2.79 -0.16 6.45 1.01 -1.26 -4.43 121.20 128.63 2qky s ILE 102 Ca 0.21 0.66 0.04 0.00 0.00 0.00 0.00 60.65 61.57 2qky s ILE 102 Cb -0.16 -3.42 -0.23 0.00 0.01 0.00 0.00 42.46 38.66 2qky s ILE 102 CO 0.16 0.11 0.21 -3.20 0.00 0.00 0.00 174.94 172.22 2qky n ASN 103 N 2.32 1.42 -3.49 3.58 5.15 0.02 -5.01 115.26 119.24 2qky n ASN 103 Ca 0.06 0.12 -0.09 0.00 -0.60 0.00 0.00 54.58 54.07 2qky n ASN 103 Cb 0.41 -0.22 -0.02 0.00 -0.53 0.00 0.00 39.78 39.42 2qky n ASN 103 CO 0.00 0.00 0.00 -0.62 1.40 0.00 0.00 177.26 178.04 2qky s ASP 104 N -6.40 -0.43 0.18 1.20 -1.08 -1.17 -5.03 116.67 103.94 2qky s ASP 104 Ca -0.20 -0.04 0.10 0.00 -0.52 0.00 0.00 52.55 51.89 2qky s ASP 104 Cb 0.07 0.48 -0.04 0.00 -1.46 0.00 0.00 42.92 41.97 2qky s ASP 104 CO 0.75 -0.79 -0.21 -0.72 0.52 0.00 0.00 175.17 174.72 2qky s TYR 105 N -3.39 2.02 -0.17 -5.34 1.13 -1.26 -1.14 117.35 109.20 2qky s TYR 105 Ca 0.04 -0.42 -0.05 0.00 -1.41 0.00 0.00 57.07 55.24 2qky s TYR 105 Cb -0.01 -1.01 0.07 0.00 -1.10 0.00 0.00 41.96 39.91 2qky s TYR 105 CO -0.10 0.40 0.12 0.45 -2.51 0.00 0.00 175.55 173.92 2qky s SER 106 N -2.65 2.01 0.11 -0.18 0.15 -0.65 -4.94 113.70 107.57 2qky s SER 106 Ca 0.18 -0.46 -0.18 0.00 0.70 0.00 0.00 55.95 56.18 2qky s SER 106 Cb -0.07 -0.07 -0.07 0.00 -1.71 0.00 0.00 66.02 64.11 2qky s SER 106 CO 0.08 -0.34 0.59 -0.63 1.20 0.00 0.00 173.24 174.14 2qky s ILE 107 N 2.19 4.73 0.23 6.45 1.09 -1.26 0.24 121.20 134.87 2qky s ILE 107 Ca 0.03 1.15 -0.30 0.00 -1.10 0.00 0.00 60.65 60.44 2qky s ILE 107 Cb -0.16 -3.86 -0.09 0.00 -1.06 0.00 0.00 42.46 37.29 2qky s ILE 107 CO -0.09 0.43 1.29 -0.94 -0.10 0.00 0.00 174.94 175.53 2qky s SER 108 N -1.33 6.90 0.27 3.58 1.04 -0.33 -4.88 113.70 118.95 2qky s SER 108 Ca 0.33 2.45 0.20 0.00 0.48 0.00 0.00 55.95 59.41 2qky s SER 108 Cb -0.18 -2.62 0.91 0.00 0.10 0.00 0.00 66.02 64.23 2qky s SER 108 CO 0.20 -0.50 0.95 -2.65 0.98 0.00 0.00 173.24 172.21 2qky n PRO 109 N 2.18 -0.02 0.00 4.02 -0.02 -1.25 0.32 135.00 140.24 2qky n PRO 109 Ca 0.04 0.76 0.14 0.00 -2.02 0.00 0.00 63.50 62.43 2qky n PRO 109 Cb 0.43 -1.50 0.63 0.00 -0.02 0.00 0.00 33.50 33.04 2qky n PRO 109 CO 0.00 0.00 0.00 -0.40 1.98 0.00 0.00 175.50 177.08 2qky n ASP 110 N -3.88 0.89 -0.75 2.55 3.85 -0.93 -4.79 116.55 113.49 2qky n ASP 110 Ca 0.25 -1.14 -0.10 0.00 -0.71 0.00 0.00 54.79 53.09 2qky n ASP 110 Cb 0.96 -0.00 -0.04 0.00 -1.35 0.00 0.00 41.12 40.68 2qky n ASP 110 CO 0.00 0.00 0.00 0.61 -1.01 0.00 0.00 177.20 176.80 2qky n GLY 111 N 1.17 1.10 0.01 6.12 0.00 0.96 -4.89 105.19 109.66 2qky n GLY 111 Ca 0.19 -0.35 0.11 0.00 0.00 0.00 0.00 46.02 45.97 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 -2.21 0.08 -4.03 1.61 6.02 -1.25 -4.92 117.38 112.68 2qky n GLN 112 Ca -0.10 -0.00 -0.12 0.00 -0.01 0.00 0.00 57.00 56.77 2qky n GLN 112 Cb 0.38 -1.53 -0.04 0.00 1.02 0.00 0.00 30.24 30.08 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 -3.05 0.71 -0.15 1.08 0.08 -1.26 -3.56 117.98 111.83 2qky s PHE 113 Ca 0.08 -1.04 -0.10 0.00 0.12 0.00 0.00 56.93 55.99 2qky s PHE 113 Cb 0.16 0.10 0.05 0.00 -0.57 0.00 0.00 43.02 42.76 2qky s PHE 113 CO 0.77 -1.12 0.37 -1.50 -0.10 0.00 0.00 175.22 173.64 2qky s ILE 114 N -3.34 -0.02 -0.48 0.64 2.07 -1.20 -1.19 121.20 117.69 2qky s ILE 114 Ca 0.26 0.07 -0.17 0.00 -1.41 0.00 0.00 60.65 59.39 2qky s ILE 114 Cb -0.01 -0.54 0.06 0.00 0.13 0.00 0.00 42.46 42.10 2qky s ILE 114 CO 0.15 0.03 0.51 -0.22 -1.91 0.00 0.00 174.94 173.50 2qky s LEU 115 N 0.92 5.20 -0.17 8.50 2.96 0.65 -1.77 118.68 134.96 2qky s LEU 115 Ca -0.06 -1.03 -0.22 0.00 -0.22 0.00 0.00 54.13 52.60 2qky s LEU 115 Cb -0.06 -2.34 -0.02 0.00 0.50 0.00 0.00 46.19 44.26 2qky s LEU 115 CO -0.07 -0.75 0.69 -0.76 -1.32 0.00 0.00 176.35 174.13 2qky s LEU 116 N 2.18 4.18 -0.18 -0.68 1.43 0.10 -1.63 118.68 124.09 2qky s LEU 116 Ca 0.10 0.96 -0.06 0.00 -1.03 0.00 0.00 54.13 54.10 2qky s LEU 116 Cb -0.21 -3.00 -0.04 0.00 0.03 0.00 0.00 46.19 42.98 2qky s LEU 116 CO 0.10 -0.28 0.03 -0.70 0.23 0.00 0.00 176.35 175.73 2qky s GLU 117 N 1.81 3.87 0.32 1.70 2.12 -0.29 -1.80 118.70 126.43 2qky s GLU 117 Ca 0.32 -0.40 -0.01 0.00 0.36 0.00 0.00 54.97 55.24 2qky s GLU 117 Cb -0.16 -3.13 -0.01 0.00 0.26 0.00 0.00 34.13 31.09 2qky s GLU 117 CO 0.12 0.25 0.40 1.52 -0.54 0.00 0.00 175.26 177.01 2qky s TYR 118 N 0.41 1.16 -1.61 5.30 1.13 -0.44 -0.80 117.35 122.50 2qky s TYR 118 Ca 0.01 -1.33 -0.01 0.00 -1.41 0.00 0.00 57.07 54.33 2qky s TYR 118 Cb -0.13 -0.23 0.00 0.00 -1.10 0.00 0.00 41.96 40.50 2qky s TYR 118 CO 0.01 -1.03 0.10 0.09 -2.51 0.00 0.00 175.55 172.22 2qky n ASN 119 N -1.25 -5.58 -4.49 -0.18 3.02 -1.26 -1.06 115.26 104.46 2qky n ASN 119 Ca 0.02 -0.06 -0.52 0.00 -0.03 0.00 0.00 54.58 53.99 2qky n ASN 119 Cb 0.62 -4.58 -0.05 0.00 -0.61 0.00 0.00 39.78 35.16 2qky n ASN 119 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 2qky n TYR 120 N -4.09 0.42 -3.52 3.10 9.36 -1.26 -4.68 117.16 116.49 2qky n TYR 120 Ca -0.21 0.91 -0.23 0.00 3.32 0.00 0.00 57.90 61.69 2qky n TYR 120 Cb 0.66 -2.10 -0.14 0.00 -0.63 0.00 0.00 39.34 37.13 2qky n TYR 120 CO 0.00 0.00 0.00 0.08 0.22 0.00 0.00 176.86 177.16 2qky s VAL 121 N -0.46 -0.20 1.05 2.97 1.01 -0.57 -5.01 120.40 119.19 2qky s VAL 121 Ca 0.75 -0.41 -0.13 0.00 0.00 0.00 0.00 61.98 62.20 2qky s VAL 121 Cb -1.01 -0.81 0.22 0.00 0.00 0.00 0.00 36.38 34.77 2qky s VAL 121 CO 0.55 -0.45 1.08 -0.75 0.00 0.00 0.00 175.10 175.53 2qky s LYS 122 N 2.21 0.02 0.00 2.72 2.20 -1.26 -0.06 119.74 125.57 2qky s LYS 122 Ca 0.07 0.56 0.00 0.00 -0.36 0.00 0.00 55.97 56.24 2qky s LYS 122 Cb -0.16 -1.69 0.00 0.00 -1.51 0.00 0.00 37.83 34.48 2qky s LYS 122 CO -0.24 -3.02 0.00 0.94 -0.36 0.00 0.00 175.35 172.67 2qky n GLN 123 N -4.39 0.00 -0.98 4.03 7.27 -1.11 -4.71 117.38 117.50 2qky n GLN 123 Ca 0.04 0.00 -0.09 0.00 0.07 0.00 0.00 57.00 57.02 2qky n GLN 123 Cb 0.57 0.00 0.06 0.00 2.41 0.00 0.00 30.24 33.27 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 -3.61 -0.16 3.69 5.03 -1.25 -4.92 117.44 116.22 2qky n TRP 124 Ca 0.00 -0.51 0.01 0.00 3.03 0.00 0.00 57.50 60.03 2qky n TRP 124 Cb 0.00 -0.31 0.04 0.00 -1.03 0.00 0.00 31.31 30.01 2qky n TRP 124 CO 0.00 0.00 0.00 -2.13 -0.03 0.00 0.00 177.69 175.53 2qky n ARG 125 N -1.82 -0.07 0.00 -0.99 3.00 -1.26 -3.16 116.66 112.37 2qky n ARG 125 Ca 0.06 0.66 0.00 0.00 -0.00 0.00 0.00 57.85 58.57 2qky n ARG 125 Cb 0.20 -0.99 0.00 0.00 0.00 0.00 0.00 32.46 31.68 2qky n ARG 125 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.63 178.35 2qky n HIS 126 N -4.66 0.00 -0.75 -0.14 8.25 -1.26 -5.07 115.22 111.59 2qky n HIS 126 Ca 0.06 0.00 -0.31 0.00 -0.26 0.00 0.00 57.72 57.21 2qky n HIS 126 Cb 0.19 0.00 0.17 0.00 1.12 0.00 0.00 29.99 31.47 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 -2.74 2.79 0.00 0.41 1.04 -1.19 -4.78 113.70 109.23 2qky s SER 127 Ca 0.00 2.03 0.00 0.00 0.48 0.00 0.00 55.95 58.46 2qky s SER 127 Cb 0.00 -2.51 0.00 0.00 0.10 0.00 0.00 66.02 63.61 2qky s SER 127 CO 0.00 -3.15 0.00 0.00 0.98 0.00 0.00 173.24 171.07 2qky n TYR 128 N -4.26 0.00 -5.07 5.02 0.18 -1.26 -2.74 117.16 109.03 2qky n TYR 128 Ca 0.10 0.00 -0.31 0.00 1.88 0.00 0.00 57.90 59.58 2qky n TYR 128 Cb 0.53 0.00 -0.15 0.00 -0.38 0.00 0.00 39.34 39.33 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 2.13 0.36 -3.48 -4.23 0.91 -4.68 115.64 104.65 2qky s THR 129 Ca 0.00 -1.26 -0.01 0.00 -1.18 0.00 0.00 61.69 59.24 2qky s THR 129 Cb 0.00 -1.79 0.00 0.00 1.34 0.00 0.00 72.50 72.06 2qky s THR 129 CO 0.00 0.46 0.48 0.00 -0.54 0.00 0.00 174.62 175.02 2qky s ALA 130 N -0.72 0.89 0.07 3.99 0.00 -1.04 -1.51 121.76 123.45 2qky s ALA 130 Ca 0.11 -1.59 0.08 0.00 0.00 0.00 0.00 51.96 50.56 2qky s ALA 130 Cb -0.10 1.17 -0.03 0.00 0.00 0.00 0.00 23.12 24.15 2qky s ALA 130 CO 0.01 -0.79 -0.20 -1.12 0.00 0.00 0.00 175.76 173.66 2qky s SER 131 N -3.27 3.69 0.22 0.00 0.01 -0.22 -2.01 113.70 112.11 2qky s SER 131 Ca 0.31 -0.52 0.02 0.00 1.31 0.00 0.00 55.95 57.08 2qky s SER 131 Cb -0.01 -0.51 -0.05 0.00 0.21 0.00 0.00 66.02 65.67 2qky s SER 131 CO 0.22 0.23 0.02 -0.31 0.41 0.00 0.00 173.24 173.81 2qky s TYR 132 N -0.98 1.43 -0.25 2.43 1.51 -1.26 -1.33 117.35 118.91 2qky s TYR 132 Ca 0.15 -1.01 -0.21 0.00 -1.01 0.00 0.00 57.07 54.99 2qky s TYR 132 Cb -0.10 -0.83 0.07 0.00 -0.11 0.00 0.00 41.96 40.98 2qky s TYR 132 CO 0.06 -0.16 0.65 -0.51 -1.11 0.00 0.00 175.55 174.48 2qky s ASP 133 N -3.26 -0.71 -0.05 2.29 1.01 -0.74 -4.63 116.67 110.56 2qky s ASP 133 Ca 0.29 1.33 -0.01 0.00 0.71 0.00 0.00 52.55 54.86 2qky s ASP 133 Cb 0.06 1.32 -0.04 0.00 1.01 0.00 0.00 42.92 45.28 2qky s ASP 133 CO 0.08 -0.23 0.04 -0.63 0.21 0.00 0.00 175.17 174.64 2qky s ILE 134 N 0.57 4.54 -0.23 0.77 1.01 -1.26 0.01 121.20 126.61 2qky s ILE 134 Ca -0.02 -0.30 0.01 0.00 0.00 0.00 0.00 60.65 60.35 2qky s ILE 134 Cb -0.05 -2.98 0.05 0.00 0.01 0.00 0.00 42.46 39.49 2qky s ILE 134 CO -0.03 0.50 -0.10 -0.47 0.00 0.00 0.00 174.94 174.85 2qky s TYR 135 N -1.02 2.69 -0.41 3.97 5.04 -0.73 -2.45 117.35 124.44 2qky s TYR 135 Ca 0.17 -1.87 -0.26 0.00 -2.44 0.00 0.00 57.07 52.67 2qky s TYR 135 Cb -0.12 -1.72 -0.26 0.00 0.35 0.00 0.00 41.96 40.21 2qky s TYR 135 CO 0.07 -0.80 1.77 -3.47 -1.34 0.00 0.00 175.55 171.78 2qky n ASP 136 N 4.60 1.79 -0.04 4.32 -0.08 0.19 -3.25 116.55 124.09 2qky n ASP 136 Ca -0.14 -2.59 0.04 0.00 -1.51 0.00 0.00 54.79 50.58 2qky n ASP 136 Cb 0.45 -0.83 0.07 0.00 2.34 0.00 0.00 41.12 43.15 2qky n ASP 136 CO 0.00 0.00 0.00 0.18 0.12 0.00 0.00 177.20 177.50 2qky n LEU 137 N 8.27 0.03 -0.04 -2.67 4.77 -1.23 0.74 117.00 126.87 2qky n LEU 137 Ca 0.48 0.21 -0.14 0.00 -0.03 0.00 0.00 56.01 56.54 2qky n LEU 137 Cb 0.41 -0.10 -0.11 0.00 -2.33 0.00 0.00 43.42 41.29 2qky n LEU 137 CO 1.11 -0.23 0.48 0.78 -1.33 0.00 0.00 177.39 178.20 2qky h ASN 138 N 0.00 0.10 -0.36 -1.43 2.35 -1.86 -3.02 115.58 111.36 2qky h ASN 138 Ca 0.10 -0.72 0.00 0.00 -0.55 0.00 0.00 56.30 55.13 2qky h ASN 138 Cb 0.26 -0.03 0.00 0.00 0.05 0.00 0.00 38.32 38.60 2qky h ASN 138 CO -0.10 0.81 0.00 2.29 -1.65 0.00 0.00 177.43 178.78 2qky n LYS 139 N -4.65 2.25 -3.81 0.81 2.85 0.23 -4.89 118.16 110.95 2qky n LYS 139 Ca -0.09 -1.47 -0.25 0.00 -1.05 0.00 0.00 58.31 55.44 2qky n LYS 139 Cb 0.41 -1.49 -0.07 0.00 -0.65 0.00 0.00 35.03 33.23 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 0.54 -0.91 -4.32 -1.58 1.74 0.17 -4.90 116.66 107.41 2qky n ARG 140 Ca 0.13 0.08 -0.17 0.00 -0.77 0.00 0.00 57.85 57.12 2qky n ARG 140 Cb 0.46 -2.88 -0.10 0.00 -1.02 0.00 0.00 32.46 28.91 2qky n ARG 140 CO 0.00 0.00 0.00 -0.65 -1.52 0.00 0.00 177.63 175.46 2qky s GLN 141 N -6.05 1.29 -0.83 5.56 -0.21 -1.22 -4.94 119.66 113.27 2qky s GLN 141 Ca 0.18 -1.64 -0.11 0.00 0.02 0.00 0.00 55.36 53.82 2qky s GLN 141 Cb -0.11 -0.64 0.22 0.00 1.00 0.00 0.00 33.01 33.48 2qky s GLN 141 CO 0.74 -0.06 0.75 -1.17 -2.12 0.00 0.00 175.29 173.44 2qky s LEU 142 N -3.28 6.39 -0.35 2.90 2.96 -1.26 0.56 118.68 126.59 2qky s LEU 142 Ca 0.26 -2.87 -0.32 0.00 -0.22 0.00 0.00 54.13 50.98 2qky s LEU 142 Cb 0.05 -2.13 -0.14 0.00 0.50 0.00 0.00 46.19 44.47 2qky s LEU 142 CO 0.07 -0.48 1.34 -0.38 -1.32 0.00 0.00 176.35 175.58 2qky n ILE 143 N 3.66 0.00 0.15 6.68 5.41 -1.03 -4.88 119.36 129.36 2qky n ILE 143 Ca 0.14 0.00 0.06 0.00 1.00 0.00 0.00 62.75 63.96 2qky n ILE 143 Cb 0.44 -0.35 -0.09 0.00 -0.71 0.00 0.00 39.64 38.92 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 3.79 0.00 -2.37 1.39 -2.24 -1.26 -4.65 114.28 108.94 2qky n THR 144 Ca 0.31 -0.27 -0.25 0.00 -2.27 0.00 0.00 64.05 61.57 2qky n THR 144 Cb -0.03 0.42 0.12 0.00 -2.10 0.00 0.00 70.33 68.73 2qky n THR 144 CO 0.00 0.00 0.00 -1.83 -0.57 0.00 0.00 175.07 172.67 2qky s GLU 145 N -2.71 1.55 0.00 -0.78 -1.05 -1.26 -4.57 118.70 109.88 2qky s GLU 145 Ca -0.02 -0.79 0.00 0.00 -0.15 0.00 0.00 54.97 54.01 2qky s GLU 145 Cb 0.09 -2.19 0.00 0.00 -0.44 0.00 0.00 34.13 31.58 2qky s GLU 145 CO 0.53 -1.62 0.00 0.39 0.95 0.00 0.00 175.26 175.52 2qky n GLU 146 N -3.05 0.00 -3.93 -4.83 -0.58 -1.26 -4.84 120.64 102.15 2qky n GLU 146 Ca 0.14 0.00 -0.30 0.00 -0.42 0.00 0.00 57.16 56.58 2qky n GLU 146 Cb 0.60 0.00 -0.04 0.00 -0.57 0.00 0.00 31.44 31.43 2qky n GLU 146 CO 0.00 0.00 0.00 1.03 -0.48 0.00 0.00 177.13 177.68 2qky s ARG 147 N -0.08 3.44 0.36 3.49 0.52 -1.26 -4.63 118.95 120.78 2qky s ARG 147 Ca 0.00 -0.48 -0.29 0.00 -0.52 0.00 0.00 55.73 54.45 2qky s ARG 147 Cb 0.00 -3.02 -0.11 0.00 0.52 0.00 0.00 34.95 32.34 2qky s ARG 147 CO 0.00 0.59 1.53 0.42 0.02 0.00 0.00 175.30 177.86 2qky s ILE 148 N -1.56 2.02 0.27 1.52 1.01 -1.26 -4.91 121.20 118.28 2qky s ILE 148 Ca 0.35 0.02 -0.30 0.00 0.00 0.00 0.00 60.65 60.72 2qky s ILE 148 Cb -0.13 -3.01 -0.10 0.00 0.01 0.00 0.00 42.46 39.23 2qky s ILE 148 CO 0.28 0.00 1.34 -2.84 0.00 0.00 0.00 174.94 173.73 2qky s PRO 149 N -1.66 4.35 0.59 2.79 0.02 -1.26 -4.71 135.00 135.11 2qky s PRO 149 Ca 0.56 2.18 -0.20 0.00 0.02 0.00 0.00 61.00 63.56 2qky s PRO 149 Cb -0.47 -3.12 -0.04 0.00 0.02 0.00 0.00 34.50 30.89 2qky s PRO 149 CO 0.59 -0.26 1.28 0.09 -0.33 0.00 0.00 177.00 178.37 2qky n ASN 150 N 1.80 2.22 0.00 2.53 3.02 -1.26 -2.56 115.26 121.02 2qky n ASN 150 Ca 0.04 0.91 0.00 0.00 -0.03 0.00 0.00 54.58 55.50 2qky n ASN 150 Cb 0.42 -1.54 0.00 0.00 -0.61 0.00 0.00 39.78 38.04 2qky n ASN 150 CO 0.00 0.00 0.00 0.59 -2.62 0.00 0.00 177.26 175.23 2qky n ASN 151 N -1.25 -2.75 -4.70 6.41 3.02 -0.94 -5.00 115.26 110.05 2qky n ASN 151 Ca 0.13 0.00 -0.42 0.00 -0.03 0.00 0.00 54.58 54.26 2qky n ASN 151 Cb 0.46 -0.46 -0.03 0.00 -0.61 0.00 0.00 39.78 39.14 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 -2.00 3.09 -0.62 3.41 2.01 -0.85 -4.66 115.64 116.02 2qky s THR 152 Ca 0.00 0.64 0.25 0.00 0.31 0.00 0.00 61.69 62.89 2qky s THR 152 Cb 0.00 -3.41 0.31 0.00 0.01 0.00 0.00 72.50 69.41 2qky s THR 152 CO 0.00 0.02 1.72 1.56 -0.69 0.00 0.00 174.62 177.22 2qky h GLN 153 N 7.67 0.00 -1.81 4.92 4.20 -1.69 -2.75 115.11 125.66 2qky h GLN 153 Ca -0.42 0.00 0.04 0.00 0.06 0.00 0.00 58.65 58.33 2qky h GLN 153 Cb 1.20 0.00 -0.21 0.00 0.30 0.00 0.00 27.48 28.77 2qky h GLN 153 CO 0.91 0.00 0.42 -0.46 -0.67 0.00 0.00 178.83 179.03 2qky s TRP 154 N -3.15 -0.47 0.17 2.96 -0.11 -1.14 -4.66 118.94 112.55 2qky s TRP 154 Ca 0.09 0.74 -0.07 0.00 1.22 0.00 0.00 56.10 58.08 2qky s TRP 154 Cb 0.10 0.45 -0.02 0.00 -1.50 0.00 0.00 33.47 32.50 2qky s TRP 154 CO 0.62 -0.46 0.26 0.08 -4.62 0.00 0.00 176.95 172.83 2qky s VAL 155 N -1.40 0.06 -0.30 5.86 1.01 -1.26 0.55 120.40 124.92 2qky s VAL 155 Ca -0.04 -1.52 -0.18 0.00 0.00 0.00 0.00 61.98 60.23 2qky s VAL 155 Cb -0.00 -1.97 0.20 0.00 0.00 0.00 0.00 36.38 34.61 2qky s VAL 155 CO 0.03 -0.26 1.30 0.28 0.00 0.00 0.00 175.10 176.45 2qky s THR 156 N -4.00 -0.02 0.72 3.92 -1.32 -0.96 -4.95 115.64 109.03 2qky s THR 156 Ca 0.21 0.00 -0.12 0.00 -1.21 0.00 0.00 61.69 60.56 2qky s THR 156 Cb 0.04 -1.00 0.03 0.00 -1.51 0.00 0.00 72.50 70.06 2qky s THR 156 CO 0.02 0.00 1.09 0.26 -2.21 0.00 0.00 174.62 173.79 2qky s TRP 157 N 1.67 2.66 0.59 9.09 0.52 -1.26 -2.83 118.94 129.39 2qky s TRP 157 Ca -0.02 1.54 -0.16 0.00 0.02 0.00 0.00 56.10 57.48 2qky s TRP 157 Cb -0.01 -3.07 -0.04 0.00 -1.15 0.00 0.00 33.47 29.20 2qky s TRP 157 CO -0.14 -1.68 1.06 -1.54 0.02 0.00 0.00 176.95 174.67 2qky s SER 158 N -3.12 5.77 0.00 2.95 1.04 0.44 -4.86 113.70 115.93 2qky s SER 158 Ca 0.63 1.82 0.00 0.00 0.48 0.00 0.00 55.95 58.88 2qky s SER 158 Cb -0.18 -2.53 0.00 0.00 0.10 0.00 0.00 66.02 63.41 2qky s SER 158 CO 0.50 -1.17 0.31 -0.81 0.98 0.00 0.00 173.24 173.04 2qky n PRO 159 N -2.04 0.57 -3.55 4.02 -0.04 -1.26 -4.51 135.00 128.18 2qky n PRO 159 Ca 0.09 0.00 -0.12 0.00 -0.04 0.00 0.00 63.50 63.43 2qky n PRO 159 Cb 0.53 -1.26 -0.05 0.00 -0.04 0.00 0.00 33.50 32.68 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 -1.08 0.00 0.00 0.52 1.01 -1.26 -4.94 120.40 114.65 2qky s VAL 160 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 61.98 61.98 2qky s VAL 160 Cb 0.00 -1.00 0.00 0.00 0.00 0.00 0.00 36.38 35.38 2qky s VAL 160 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 175.10 175.71 2qky n GLY 161 N 0.67 3.65 2.06 4.51 0.00 -1.26 -4.25 105.19 110.56 2qky n GLY 161 Ca -0.12 -0.04 -0.01 0.00 0.00 0.00 0.00 46.02 45.84 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 14.00 -0.29 -2.37 1.61 1.44 -1.26 -2.18 115.22 126.17 2qky n HIS 162 Ca 0.00 -1.27 -0.36 0.00 -2.01 0.00 0.00 57.72 54.07 2qky n HIS 162 Cb 0.00 0.49 -0.02 0.00 0.12 0.00 0.00 29.99 30.58 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 -0.93 3.80 -0.11 -1.40 1.02 -1.26 -4.61 119.74 116.25 2qky s LYS 163 Ca 0.17 1.62 0.02 0.00 0.02 0.00 0.00 55.97 57.79 2qky s LYS 163 Cb 0.30 -2.33 0.01 0.00 -0.52 0.00 0.00 37.83 35.29 2qky s LYS 163 CO -0.08 -0.48 -0.16 -0.51 -0.92 0.00 0.00 175.35 173.19 2qky s LEU 164 N -3.12 1.79 -0.17 3.17 1.43 -0.32 -0.42 118.68 121.05 2qky s LEU 164 Ca 0.64 -0.45 0.00 0.00 -1.03 0.00 0.00 54.13 53.29 2qky s LEU 164 Cb -0.24 -1.15 0.04 0.00 0.03 0.00 0.00 46.19 44.87 2qky s LEU 164 CO 0.29 0.03 -0.09 0.00 0.23 0.00 0.00 176.35 176.81 2qky s ALA 165 N 0.93 1.72 0.11 4.21 0.00 -1.13 0.16 121.76 127.75 2qky s ALA 165 Ca -0.07 -0.94 0.06 0.00 0.00 0.00 0.00 51.96 51.01 2qky s ALA 165 Cb -0.15 -1.14 -0.03 0.00 0.00 0.00 0.00 23.12 21.80 2qky s ALA 165 CO -0.01 -0.67 -0.15 1.52 0.00 0.00 0.00 175.76 176.45 2qky s TYR 166 N 1.53 1.41 -0.06 0.00 1.13 0.13 -2.27 117.35 119.23 2qky s TYR 166 Ca 0.01 -0.51 -0.03 0.00 -1.41 0.00 0.00 57.07 55.13 2qky s TYR 166 Cb -0.15 -0.75 -0.04 0.00 -1.10 0.00 0.00 41.96 39.92 2qky s TYR 166 CO -0.09 0.13 0.11 0.08 -2.51 0.00 0.00 175.55 173.28 2qky s VAL 167 N -1.76 5.07 -0.28 -3.49 1.01 0.19 -0.45 120.40 120.69 2qky s VAL 167 Ca 0.06 -0.13 -0.00 0.00 0.00 0.00 0.00 61.98 61.90 2qky s VAL 167 Cb -0.07 -3.27 0.17 0.00 0.00 0.00 0.00 36.38 33.21 2qky s VAL 167 CO 0.03 0.47 0.51 0.86 0.00 0.00 0.00 175.10 176.97 2qky s TRP 168 N -1.12 -1.32 -0.26 5.22 -0.00 0.04 -2.05 118.94 119.44 2qky s TRP 168 Ca 0.20 1.22 -0.01 0.00 -0.00 0.00 0.00 56.10 57.50 2qky s TRP 168 Cb -0.12 0.29 0.00 0.00 -0.00 0.00 0.00 33.47 33.64 2qky s TRP 168 CO 0.10 -0.86 0.23 0.09 -0.00 0.00 0.00 176.95 176.50 2qky n ASN 169 N 5.40 -2.70 -0.77 5.86 5.03 -1.26 -3.50 115.26 123.32 2qky n ASN 169 Ca -0.01 -0.11 -0.10 0.00 0.87 0.00 0.00 54.58 55.23 2qky n ASN 169 Cb 0.51 -1.40 -0.04 0.00 -1.02 0.00 0.00 39.78 37.83 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 0.21 -5.17 -4.11 6.41 4.13 -1.26 -4.19 115.26 111.27 2qky n ASN 170 Ca -0.01 0.25 -0.25 0.00 1.68 0.00 0.00 54.58 56.25 2qky n ASN 170 Cb 0.52 -3.56 -0.16 0.00 -1.54 0.00 0.00 39.78 35.04 2qky n ASN 170 CO 0.00 0.00 0.00 -1.81 0.28 0.00 0.00 177.26 175.73 2qky s ASP 171 N -2.50 1.95 0.30 6.41 -0.00 -1.23 -2.33 116.67 119.28 2qky s ASP 171 Ca 0.00 -0.31 -0.27 0.00 -0.00 0.00 0.00 52.55 51.96 2qky s ASP 171 Cb 0.00 -0.48 -0.09 0.00 -0.00 0.00 0.00 42.92 42.34 2qky s ASP 171 CO 0.00 0.15 0.97 -0.63 -0.00 0.00 0.00 175.17 175.65 2qky s ILE 172 N -0.01 4.05 -0.05 0.77 1.01 -1.26 -0.78 121.20 124.94 2qky s ILE 172 Ca -0.02 1.83 -0.02 0.00 0.00 0.00 0.00 60.65 62.44 2qky s ILE 172 Cb -0.10 -4.07 0.03 0.00 0.01 0.00 0.00 42.46 38.33 2qky s ILE 172 CO 0.01 0.26 0.11 -0.31 0.00 0.00 0.00 174.94 175.01 2qky s TYR 173 N -1.44 -0.11 0.07 3.97 1.51 0.41 -1.50 117.35 120.27 2qky s TYR 173 Ca 0.47 0.36 0.05 0.00 -1.01 0.00 0.00 57.07 56.95 2qky s TYR 173 Cb -0.22 -0.09 -0.04 0.00 -0.11 0.00 0.00 41.96 41.49 2qky s TYR 173 CO 0.28 -0.13 -0.06 0.08 -1.11 0.00 0.00 175.55 174.62 2qky s VAL 174 N 0.92 3.64 -0.19 0.71 1.01 -0.94 -0.69 120.40 124.86 2qky s VAL 174 Ca -0.07 -1.05 -0.04 0.00 0.00 0.00 0.00 61.98 60.82 2qky s VAL 174 Cb -0.10 -2.68 0.06 0.00 0.00 0.00 0.00 36.38 33.66 2qky s VAL 174 CO -0.04 0.19 0.06 -0.54 0.00 0.00 0.00 175.10 174.76 2qky s LYS 175 N -2.03 0.44 0.37 2.72 1.02 0.42 -1.83 119.74 120.84 2qky s LYS 175 Ca 0.22 -0.32 0.08 0.00 0.02 0.00 0.00 55.97 55.96 2qky s LYS 175 Cb -0.11 -2.00 0.71 0.00 -0.52 0.00 0.00 37.83 35.91 2qky s LYS 175 CO 0.14 -0.67 1.89 0.82 -0.92 0.00 0.00 175.35 176.61 2qky h ILE 176 N 6.48 1.19 -3.73 2.17 1.08 -1.84 -0.83 117.51 122.03 2qky h ILE 176 Ca -0.16 -0.81 -0.43 0.00 -0.39 0.00 0.00 64.86 63.07 2qky h ILE 176 Cb 1.13 1.14 -0.31 0.00 -3.07 0.00 0.00 36.82 35.70 2qky h ILE 176 CO 0.33 0.26 -0.79 -1.61 -0.69 0.00 0.00 178.15 175.65 2qky s GLU 177 N -4.79 1.00 0.36 2.37 0.41 -1.26 -4.54 118.70 112.25 2qky s GLU 177 Ca -0.06 -0.28 0.17 0.00 -0.41 0.00 0.00 54.97 54.38 2qky s GLU 177 Cb 0.15 -0.93 1.11 0.00 -1.78 0.00 0.00 34.13 32.69 2qky s GLU 177 CO 0.74 0.08 1.68 -1.35 -0.49 0.00 0.00 175.26 175.92 2qky h PRO 178 N 6.55 0.33 -0.62 0.39 0.11 -1.82 -1.65 132.00 135.28 2qky h PRO 178 Ca -0.34 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.75 2qky h PRO 178 Cb 1.17 -0.07 0.00 0.00 0.11 0.00 0.00 31.00 32.21 2qky h PRO 178 CO 0.48 0.22 0.00 0.27 -0.21 0.00 0.00 178.00 178.76 2qky n ASN 179 N -4.91 5.23 -4.73 -2.05 6.94 -1.26 -4.87 115.26 109.61 2qky n ASN 179 Ca 0.31 -2.76 -0.24 0.00 -0.02 0.00 0.00 54.58 51.87 2qky n ASN 179 Cb 1.00 -0.65 -0.07 0.00 -2.36 0.00 0.00 39.78 37.70 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 -2.37 3.16 1.01 -4.53 1.43 -0.62 -4.61 118.68 112.13 2qky s LEU 180 Ca 0.51 -0.94 -0.12 0.00 -1.03 0.00 0.00 54.13 52.55 2qky s LEU 180 Cb 0.37 -1.56 0.19 0.00 0.03 0.00 0.00 46.19 45.23 2qky s LEU 180 CO 0.17 -0.41 1.08 -2.16 0.23 0.00 0.00 176.35 175.27 2qky s PRO 181 N -3.86 0.36 0.13 1.29 0.04 -1.26 -4.79 135.00 126.90 2qky s PRO 181 Ca 0.39 0.66 0.01 0.00 0.04 0.00 0.00 61.00 62.10 2qky s PRO 181 Cb 0.01 -1.72 -0.04 0.00 0.04 0.00 0.00 34.50 32.79 2qky s PRO 181 CO 0.22 -2.81 0.28 -1.12 0.04 0.00 0.00 177.00 173.61 2qky s SER 182 N -3.26 6.35 -0.15 6.66 0.01 -1.26 -4.72 113.70 117.33 2qky s SER 182 Ca 0.65 0.23 -0.05 0.00 1.31 0.00 0.00 55.95 58.10 2qky s SER 182 Cb -0.20 -1.94 -0.04 0.00 0.21 0.00 0.00 66.02 64.06 2qky s SER 182 CO 0.59 0.07 0.02 -0.31 0.41 0.00 0.00 173.24 174.02 2qky s TYR 183 N -1.69 3.18 -0.00 2.43 2.02 -0.76 -4.94 117.35 117.59 2qky s TYR 183 Ca 0.35 0.02 -0.26 0.00 -0.37 0.00 0.00 57.07 56.81 2qky s TYR 183 Cb -0.12 -1.97 -0.04 0.00 -0.40 0.00 0.00 41.96 39.44 2qky s TYR 183 CO 0.28 0.20 0.82 0.50 -1.57 0.00 0.00 175.55 175.79 2qky s ARG 184 N -0.00 4.51 -0.13 -0.62 3.52 -1.26 -2.21 118.95 122.76 2qky s ARG 184 Ca 0.04 1.14 0.05 0.00 -0.13 0.00 0.00 55.73 56.82 2qky s ARG 184 Cb -0.13 -3.42 -0.24 0.00 -1.56 0.00 0.00 34.95 29.61 2qky s ARG 184 CO 0.02 0.10 0.34 -0.89 -0.81 0.00 0.00 175.30 174.06 2qky n ILE 185 N 3.46 1.63 -4.32 4.11 2.08 -0.56 -4.60 119.36 121.17 2qky n ILE 185 Ca 0.01 -0.72 -0.18 0.00 0.56 0.00 0.00 62.75 62.42 2qky n ILE 185 Cb 0.51 -1.28 -0.15 0.00 -0.75 0.00 0.00 39.64 37.97 2qky n ILE 185 CO 0.00 0.00 0.00 0.42 0.56 0.00 0.00 176.55 177.53 2qky s THR 186 N -2.56 0.65 -0.17 1.39 -4.23 -1.25 -4.91 115.64 104.55 2qky s THR 186 Ca -0.17 -0.34 0.17 0.00 -1.18 0.00 0.00 61.69 60.18 2qky s THR 186 Cb 0.07 -0.55 0.48 0.00 1.34 0.00 0.00 72.50 73.85 2qky s THR 186 CO 0.77 0.19 1.37 0.79 -0.54 0.00 0.00 174.62 177.20 2qky n TRP 187 N 2.94 0.75 0.78 3.99 8.01 -1.26 -4.51 117.44 128.15 2qky n TRP 187 Ca -0.14 -0.90 0.09 0.00 -1.31 0.00 0.00 57.50 55.24 2qky n TRP 187 Cb 0.57 -0.28 0.04 0.00 -2.01 0.00 0.00 31.31 29.62 2qky n TRP 187 CO 0.00 0.00 0.00 0.25 -1.01 0.00 0.00 177.69 176.93 2qky n THR 188 N -0.69 0.00 -1.54 -0.99 -2.24 -1.26 -5.01 114.28 102.54 2qky n THR 188 Ca 0.20 -0.41 -0.45 0.00 -2.27 0.00 0.00 64.05 61.13 2qky n THR 188 Cb 0.84 1.30 -0.01 0.00 -2.10 0.00 0.00 70.33 70.36 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 1.14 -0.67 3.56 3.38 0.00 -1.26 -4.72 105.19 106.62 2qky n GLY 189 Ca 0.09 0.29 -0.01 0.00 0.00 0.00 0.00 46.02 46.38 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 -1.48 0.43 0.06 1.61 2.20 -1.05 -4.94 119.74 116.56 2qky s LYS 190 Ca 0.60 0.89 -0.35 0.00 -0.36 0.00 0.00 55.97 56.75 2qky s LYS 190 Cb -0.72 0.33 -0.14 0.00 -1.51 0.00 0.00 37.83 35.79 2qky s LYS 190 CO 0.59 -0.12 1.58 -1.91 -0.36 0.00 0.00 175.35 175.14 2qky n GLU 191 N 4.49 1.82 -1.13 4.03 2.13 -1.26 -1.42 120.64 129.30 2qky n GLU 191 Ca -0.15 0.66 -0.04 0.00 0.66 0.00 0.00 57.16 58.29 2qky n GLU 191 Cb 0.55 -2.40 -0.02 0.00 0.27 0.00 0.00 31.44 29.83 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 3.91 -5.46 0.02 4.31 8.00 -1.26 -4.73 116.55 121.34 2qky n ASP 192 Ca 0.19 0.11 0.00 0.00 0.71 0.00 0.00 54.79 55.80 2qky n ASP 192 Cb 0.25 -3.35 0.00 0.00 -0.02 0.00 0.00 41.12 38.00 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 -2.23 0.23 -4.03 0.53 2.08 -0.71 -4.75 119.36 110.49 2qky n ILE 193 Ca -0.04 0.07 -0.34 0.00 0.56 0.00 0.00 62.75 63.00 2qky n ILE 193 Cb 0.47 -0.80 -0.15 0.00 -0.75 0.00 0.00 39.64 38.41 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 -1.29 2.57 -0.25 1.39 -1.09 -0.51 -0.68 121.20 121.34 2qky s ILE 194 Ca 0.00 -0.92 -0.07 0.00 -2.23 0.00 0.00 60.65 57.43 2qky s ILE 194 Cb 0.00 -2.20 -0.02 0.00 -1.58 0.00 0.00 42.46 38.66 2qky s ILE 194 CO 0.00 0.38 0.05 -0.31 -1.23 0.00 0.00 174.94 173.83 2qky s TYR 195 N 1.33 3.07 -0.36 3.97 1.51 0.11 -2.54 117.35 124.43 2qky s TYR 195 Ca 0.03 -0.53 0.01 0.00 -1.01 0.00 0.00 57.07 55.57 2qky s TYR 195 Cb -0.15 -2.22 0.10 0.00 -0.11 0.00 0.00 41.96 39.58 2qky s TYR 195 CO -0.08 -0.40 0.11 -0.80 -1.11 0.00 0.00 175.55 173.27 2qky s ASN 196 N 1.59 4.97 0.00 2.29 0.01 -0.98 0.93 114.94 123.75 2qky s ASN 196 Ca 0.06 -2.02 0.00 0.00 -0.71 0.00 0.00 52.86 50.19 2qky s ASN 196 Cb -0.15 -1.72 0.00 0.00 0.41 0.00 0.00 41.25 39.79 2qky s ASN 196 CO 0.02 -0.44 0.00 0.61 -1.51 0.00 0.00 177.10 175.79 2qky n GLY 197 N 4.42 0.33 3.07 0.66 0.00 -1.03 -4.02 105.19 108.63 2qky n GLY 197 Ca -0.00 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 45.92 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 -2.00 0.36 0.48 -0.61 -4.36 -1.26 0.13 121.20 113.94 2qky s ILE 198 Ca 0.00 -1.38 0.01 0.00 -0.26 0.00 0.00 60.65 59.02 2qky s ILE 198 Cb 0.00 -0.94 0.01 0.00 1.25 0.00 0.00 42.46 42.77 2qky s ILE 198 CO 0.00 -0.67 0.69 0.42 0.24 0.00 0.00 174.94 175.62 2qky s THR 199 N -2.48 3.60 0.00 8.37 -4.23 -0.76 -4.65 115.64 115.48 2qky s THR 199 Ca -0.03 -0.57 0.00 0.00 -1.18 0.00 0.00 61.69 59.91 2qky s THR 199 Cb -0.02 -3.33 0.00 0.00 1.34 0.00 0.00 72.50 70.49 2qky s THR 199 CO -0.04 -0.23 0.00 -0.90 -0.54 0.00 0.00 174.62 172.92 2qky n ASP 200 N -2.14 0.00 -0.02 3.99 5.75 -1.26 -4.77 116.55 118.10 2qky n ASP 200 Ca 0.03 0.00 -0.15 0.00 -0.01 0.00 0.00 54.79 54.66 2qky n ASP 200 Cb 0.58 0.00 -0.11 0.00 -1.03 0.00 0.00 41.12 40.57 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 0.00 0.35 0.00 2.11 7.01 -1.99 -2.83 115.95 120.60 2qky h TRP 201 Ca 0.00 -0.17 -0.10 0.00 2.11 0.00 0.00 58.89 60.73 2qky h TRP 201 Cb 0.00 -0.05 -0.01 0.00 -2.10 0.00 0.00 29.16 27.00 2qky h TRP 201 CO 0.00 0.94 -0.47 -0.24 -2.79 0.00 0.00 178.44 175.88 2qky h VAL 202 N -0.34 1.30 0.02 2.65 3.04 -1.95 -2.57 116.25 118.41 2qky h VAL 202 Ca -0.03 -1.65 -0.23 0.00 -1.01 0.00 0.00 66.70 63.78 2qky h VAL 202 Cb 1.01 1.90 -0.03 0.00 -2.01 0.00 0.00 31.29 32.16 2qky h VAL 202 CO 0.06 0.46 -1.13 1.88 -1.01 0.00 0.00 177.57 177.84 2qky h TYR 203 N 0.00 0.08 0.00 3.17 -1.99 -1.93 -0.03 116.97 116.26 2qky h TYR 203 Ca -0.00 -0.06 -0.06 0.00 2.00 0.00 0.00 58.73 60.61 2qky h TYR 203 Cb 0.86 -0.00 -0.01 0.00 2.00 0.00 0.00 36.73 39.58 2qky h TYR 203 CO 0.00 1.05 -0.29 1.49 -0.00 0.00 0.00 178.16 180.41 2qky h GLU 204 N 0.01 0.00 0.00 4.88 4.81 -1.40 -1.36 114.58 121.53 2qky h GLU 204 Ca -0.06 0.00 -0.14 0.00 -0.13 0.00 0.00 59.36 59.02 2qky h GLU 204 Cb 1.83 0.00 -0.02 0.00 0.63 0.00 0.00 28.75 31.19 2qky h GLU 204 CO 0.13 0.29 -1.34 -1.91 -0.73 0.00 0.00 179.01 175.45 2qky n GLU 205 N -3.52 0.43 0.00 1.92 4.07 -0.98 -3.45 120.64 119.11 2qky n GLU 205 Ca -0.00 0.18 0.14 0.00 -0.06 0.00 0.00 57.16 57.42 2qky n GLU 205 Cb 0.44 -1.24 0.56 0.00 -0.06 0.00 0.00 31.44 31.14 2qky n GLU 205 CO 0.00 0.00 0.00 0.39 -0.06 0.00 0.00 177.13 177.46 2qky n GLU 206 N -4.14 1.36 0.00 5.31 -0.58 -0.03 -4.37 120.64 118.19 2qky n GLU 206 Ca -0.23 -0.71 0.00 0.00 -0.42 0.00 0.00 57.16 55.80 2qky n GLU 206 Cb 0.56 -1.49 0.00 0.00 -0.57 0.00 0.00 31.44 29.95 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 -0.20 0.00 0.15 2.62 0.31 -1.11 -4.88 118.33 115.22 2qky n VAL 207 Ca 0.18 0.00 0.02 0.00 -0.01 0.00 0.00 64.34 64.53 2qky n VAL 207 Cb 0.32 -0.40 0.16 0.00 -0.91 0.00 0.00 33.84 33.00 2qky n VAL 207 CO 0.00 0.00 0.00 -0.26 -1.32 0.00 0.00 176.83 175.25 2qky h PHE 208 N 0.00 0.00 -1.25 3.52 -1.00 -1.55 -3.47 116.94 113.19 2qky h PHE 208 Ca 0.00 0.00 -0.25 0.00 2.81 0.00 0.00 57.97 60.53 2qky h PHE 208 Cb 0.00 0.00 -0.05 0.00 3.61 0.00 0.00 35.95 39.51 2qky h PHE 208 CO 0.00 0.54 -0.28 0.43 -1.61 0.00 0.00 178.31 177.39 2qky n SER 209 N -3.46 -4.20 -3.87 2.17 7.64 -1.24 -4.97 113.62 105.69 2qky n SER 209 Ca 0.00 0.13 -0.09 0.00 1.01 0.00 0.00 58.87 59.93 2qky n SER 209 Cb 0.65 -3.13 -0.04 0.00 -1.01 0.00 0.00 64.21 60.68 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 -2.55 -0.77 -0.13 -0.43 0.00 -1.22 -4.96 121.76 111.70 2qky s ALA 210 Ca 0.00 -0.48 -0.08 0.00 0.00 0.00 0.00 51.96 51.40 2qky s ALA 210 Cb 0.00 0.93 -0.05 0.00 0.00 0.00 0.00 23.12 24.00 2qky s ALA 210 CO 0.00 -0.89 0.02 -0.92 0.00 0.00 0.00 175.76 173.97 2qky h TYR 211 N 2.16 0.00 -1.20 0.00 3.20 -1.86 -3.40 116.97 115.88 2qky h TYR 211 Ca -0.25 0.00 -0.79 0.00 3.14 0.00 0.00 58.73 60.83 2qky h TYR 211 Cb 1.25 0.00 0.04 0.00 1.54 0.00 0.00 36.73 39.56 2qky h TYR 211 CO 0.39 0.21 0.42 0.45 -1.64 0.00 0.00 178.16 177.99 2qky n SER 212 N -4.67 0.95 -2.35 -2.11 2.88 -1.26 -1.82 113.62 105.24 2qky n SER 212 Ca -0.06 1.15 -0.19 0.00 -1.33 0.00 0.00 58.87 58.43 2qky n SER 212 Cb 0.20 -0.99 0.02 0.00 -0.75 0.00 0.00 64.21 62.69 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 2.88 4.47 -2.24 -1.46 0.00 0.36 -4.78 120.51 119.73 2qky n ALA 213 Ca 0.24 -3.70 -0.14 0.00 0.00 0.00 0.00 53.44 49.84 2qky n ALA 213 Cb 0.07 -0.54 -0.10 0.00 0.00 0.00 0.00 19.45 18.88 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 -3.57 1.81 -0.19 0.00 0.05 -1.24 -0.86 118.68 114.68 2qky s LEU 214 Ca 0.44 -1.26 -0.10 0.00 0.05 0.00 0.00 54.13 53.25 2qky s LEU 214 Cb 0.40 0.07 0.07 0.00 -2.05 0.00 0.00 46.19 44.68 2qky s LEU 214 CO -0.04 -0.67 0.46 0.26 -0.55 0.00 0.00 176.35 175.82 2qky s TRP 215 N -3.80 -0.72 0.07 3.48 0.51 -0.40 -4.91 118.94 113.17 2qky s TRP 215 Ca 0.30 1.48 -0.15 0.00 -2.12 0.00 0.00 56.10 55.61 2qky s TRP 215 Cb 0.07 0.34 -0.06 0.00 -0.81 0.00 0.00 33.47 33.01 2qky s TRP 215 CO 0.07 -0.40 0.48 -1.58 -0.51 0.00 0.00 176.95 175.02 2qky s TRP 216 N 1.59 3.69 0.67 -1.98 0.52 -1.26 -1.55 118.94 120.61 2qky s TRP 216 Ca -0.09 1.04 -0.15 0.00 0.02 0.00 0.00 56.10 56.92 2qky s TRP 216 Cb -0.08 -2.33 0.01 0.00 -1.15 0.00 0.00 33.47 29.91 2qky s TRP 216 CO -0.14 0.55 1.13 -1.54 0.02 0.00 0.00 176.95 176.97 2qky s SER 217 N -1.39 4.92 0.35 2.95 1.04 -1.11 -4.76 113.70 115.70 2qky s SER 217 Ca 0.30 2.09 0.26 0.00 0.48 0.00 0.00 55.95 59.09 2qky s SER 217 Cb -0.16 -2.56 1.19 0.00 0.10 0.00 0.00 66.02 64.58 2qky s SER 217 CO 0.17 -1.76 1.23 -2.65 0.98 0.00 0.00 173.24 171.21 2qky n PRO 218 N -2.43 -0.03 -0.07 4.02 -0.02 -1.26 0.32 135.00 135.53 2qky n PRO 218 Ca 0.11 0.98 0.04 0.00 -2.02 0.00 0.00 63.50 62.61 2qky n PRO 218 Cb 0.52 -1.94 0.07 0.00 -0.02 0.00 0.00 33.50 32.13 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 -4.22 2.22 -2.42 2.55 6.94 -1.26 -4.79 115.26 114.28 2qky n ASN 219 Ca 0.32 -1.72 -0.16 0.00 -0.02 0.00 0.00 54.58 53.00 2qky n ASN 219 Cb 1.26 -0.09 0.04 0.00 -2.36 0.00 0.00 39.78 38.62 2qky n ASN 219 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 2qky n GLY 220 N 0.29 -0.11 0.13 4.83 0.00 0.95 -4.74 105.19 106.54 2qky n GLY 220 Ca 0.06 -0.09 -0.19 0.00 0.00 0.00 0.00 46.02 45.81 2qky n GLY 220 CO 0.00 0.00 0.00 -0.84 0.00 0.00 0.00 173.32 172.48 2qky h THR 221 N -1.47 0.83 -1.83 2.61 2.02 -1.95 -3.46 112.91 109.68 2qky h THR 221 Ca -0.38 -2.52 -0.47 0.00 0.77 0.00 0.00 66.41 63.80 2qky h THR 221 Cb 1.25 2.61 -0.02 0.00 -1.74 0.00 0.00 68.15 70.25 2qky h THR 221 CO 0.39 0.82 -0.41 -0.36 0.37 0.00 0.00 175.52 176.33 2qky s PHE 222 N -2.58 2.98 -0.24 3.16 0.08 -1.26 -0.80 117.98 119.32 2qky s PHE 222 Ca -0.16 -0.27 -0.04 0.00 0.12 0.00 0.00 56.93 56.58 2qky s PHE 222 Cb 0.07 -1.88 0.09 0.00 -0.57 0.00 0.00 43.02 40.73 2qky s PHE 222 CO 0.81 0.11 0.15 -1.17 -0.10 0.00 0.00 175.22 175.02 2qky s LEU 223 N -4.06 0.31 0.57 -0.37 2.96 0.22 -2.77 118.68 115.55 2qky s LEU 223 Ca 0.42 -0.90 -0.04 0.00 -0.22 0.00 0.00 54.13 53.40 2qky s LEU 223 Cb -0.07 -0.13 0.02 0.00 0.50 0.00 0.00 46.19 46.50 2qky s LEU 223 CO 0.28 -0.39 0.85 0.00 -1.32 0.00 0.00 176.35 175.77 2qky s ALA 224 N 2.17 3.46 -0.29 5.97 0.00 -0.60 -1.18 121.76 131.29 2qky s ALA 224 Ca 0.07 -0.90 -0.25 0.00 0.00 0.00 0.00 51.96 50.88 2qky s ALA 224 Cb -0.16 -2.43 0.16 0.00 0.00 0.00 0.00 23.12 20.70 2qky s ALA 224 CO -0.25 -0.78 1.28 1.52 0.00 0.00 0.00 175.76 177.53 2qky s TYR 225 N -2.90 -0.22 0.64 0.00 1.13 -0.61 -1.27 117.35 114.11 2qky s TYR 225 Ca 0.54 0.53 -0.04 0.00 -1.41 0.00 0.00 57.07 56.69 2qky s TYR 225 Cb -0.10 0.44 0.04 0.00 -1.10 0.00 0.00 41.96 41.24 2qky s TYR 225 CO 0.43 -0.11 0.92 0.00 -2.51 0.00 0.00 175.55 174.28 2qky s ALA 226 N 0.09 3.39 -0.06 9.51 0.00 -0.04 -2.18 121.76 132.47 2qky s ALA 226 Ca 0.06 -1.00 -0.04 0.00 0.00 0.00 0.00 51.96 50.98 2qky s ALA 226 Cb -0.05 -2.45 0.02 0.00 0.00 0.00 0.00 23.12 20.65 2qky s ALA 226 CO -0.12 -1.05 0.13 -1.14 0.00 0.00 0.00 175.76 173.58 2qky s GLN 227 N -5.06 0.12 -0.02 0.00 0.74 -0.17 -2.47 119.66 112.80 2qky s GLN 227 Ca 0.58 0.27 0.06 0.00 0.05 0.00 0.00 55.36 56.32 2qky s GLN 227 Cb -0.11 -0.05 -0.02 0.00 1.10 0.00 0.00 33.01 33.93 2qky s GLN 227 CO 0.43 -0.09 -0.20 -0.06 -0.55 0.00 0.00 175.29 174.82 2qky s PHE 228 N 0.59 2.52 -0.46 1.67 0.08 0.26 -2.07 117.98 120.58 2qky s PHE 228 Ca -0.04 -0.29 0.03 0.00 0.12 0.00 0.00 56.93 56.74 2qky s PHE 228 Cb -0.06 -1.54 0.13 0.00 -0.57 0.00 0.00 43.02 40.97 2qky s PHE 228 CO -0.03 0.11 0.22 1.21 -0.10 0.00 0.00 175.22 176.63 2qky s ASN 229 N -0.82 4.08 -0.24 1.36 3.84 -1.04 0.07 114.94 122.20 2qky s ASN 229 Ca 0.11 -2.68 0.02 0.00 0.21 0.00 0.00 52.86 50.52 2qky s ASN 229 Cb -0.10 -1.35 0.32 0.00 -0.55 0.00 0.00 41.25 39.57 2qky s ASN 229 CO 0.01 -0.27 1.54 0.47 -2.79 0.00 0.00 177.10 176.06 2qky n ASP 230 N 3.51 3.83 -0.18 -4.21 9.92 0.14 -3.58 116.55 125.98 2qky n ASP 230 Ca 0.06 -2.85 -0.13 0.00 -0.53 0.00 0.00 54.79 51.33 2qky n ASP 230 Cb 0.35 -0.73 -0.10 0.00 -0.64 0.00 0.00 41.12 40.00 2qky n ASP 230 CO 0.00 0.00 0.00 0.74 0.13 0.00 0.00 177.20 178.07 2qky h THR 231 N 0.57 0.00 -0.47 -3.53 2.02 -1.86 -1.73 112.91 107.92 2qky h THR 231 Ca 0.32 0.00 0.00 0.00 0.77 0.00 0.00 66.41 67.50 2qky h THR 231 Cb 1.80 0.00 0.00 0.00 -1.74 0.00 0.00 68.15 68.21 2qky h THR 231 CO 0.59 0.00 0.00 -0.62 0.37 0.00 0.00 175.52 175.86 2qky n GLU 232 N -5.36 3.76 -2.63 6.66 1.02 -1.26 -4.89 120.64 117.94 2qky n GLU 232 Ca -0.03 -2.38 -0.43 0.00 -0.02 0.00 0.00 57.16 54.31 2qky n GLU 232 Cb 0.33 -1.99 -0.02 0.00 -0.02 0.00 0.00 31.44 29.73 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 -2.18 4.64 1.05 2.62 1.01 -0.65 -4.78 120.40 122.10 2qky s VAL 233 Ca 0.42 1.93 -0.13 0.00 0.00 0.00 0.00 61.98 64.19 2qky s VAL 233 Cb 0.30 -4.24 0.15 0.00 0.00 0.00 0.00 36.38 32.60 2qky s VAL 233 CO 0.14 -0.03 0.67 -2.65 0.00 0.00 0.00 175.10 173.23 2qky n PRO 234 N 5.28 -1.29 -4.96 2.72 -0.02 -1.26 -4.67 135.00 130.80 2qky n PRO 234 Ca 0.10 -0.34 -0.32 0.00 -2.02 0.00 0.00 63.50 60.92 2qky n PRO 234 Cb 0.48 -2.03 -0.15 0.00 -0.02 0.00 0.00 33.50 31.77 2qky n PRO 234 CO 0.00 0.00 0.00 -0.51 1.98 0.00 0.00 175.50 176.97 2qky s LEU 235 N -4.25 2.49 0.06 2.45 1.43 -1.26 -1.21 118.68 118.40 2qky s LEU 235 Ca 0.62 -0.38 -0.25 0.00 -1.03 0.00 0.00 54.13 53.10 2qky s LEU 235 Cb -0.21 -1.52 -0.06 0.00 0.03 0.00 0.00 46.19 44.43 2qky s LEU 235 CO 0.64 0.21 0.76 -0.51 0.23 0.00 0.00 176.35 177.68 2qky s ILE 236 N 0.09 4.68 -0.29 -0.59 1.10 0.70 -4.79 121.20 122.12 2qky s ILE 236 Ca -0.08 1.63 0.02 0.00 -0.51 0.00 0.00 60.65 61.71 2qky s ILE 236 Cb -0.15 -4.11 0.08 0.00 0.15 0.00 0.00 42.46 38.43 2qky s ILE 236 CO 0.05 0.39 0.01 -1.61 -2.11 0.00 0.00 174.94 171.67 2qky s GLU 237 N -0.22 1.45 0.39 3.50 2.02 -1.25 -0.87 118.70 123.72 2qky s GLU 237 Ca 0.38 -1.33 0.07 0.00 0.02 0.00 0.00 54.97 54.11 2qky s GLU 237 Cb -0.21 -2.70 -0.08 0.00 0.10 0.00 0.00 34.13 31.25 2qky s GLU 237 CO 0.23 -0.79 -0.00 1.52 0.02 0.00 0.00 175.26 176.25 2qky s TYR 238 N 1.25 2.44 0.14 1.61 1.13 0.30 -4.91 117.35 119.30 2qky s TYR 238 Ca 0.02 -0.68 0.04 0.00 -1.41 0.00 0.00 57.07 55.05 2qky s TYR 238 Cb -0.19 -1.66 -0.04 0.00 -1.10 0.00 0.00 41.96 38.97 2qky s TYR 238 CO -0.10 0.42 0.15 -1.12 -2.51 0.00 0.00 175.55 172.38 2qky s SER 239 N -3.67 5.65 -0.14 -0.18 0.01 -1.26 0.19 113.70 114.30 2qky s SER 239 Ca 0.35 -0.06 -0.01 0.00 1.31 0.00 0.00 55.95 57.55 2qky s SER 239 Cb 0.09 -1.53 0.03 0.00 0.21 0.00 0.00 66.02 64.83 2qky s SER 239 CO 0.17 0.09 -0.06 0.12 0.41 0.00 0.00 173.24 173.97 2qky s PHE 240 N -1.67 1.58 -0.27 2.43 5.36 0.17 -4.68 117.98 120.90 2qky s PHE 240 Ca 0.31 -0.92 0.27 0.00 -0.96 0.00 0.00 56.93 55.63 2qky s PHE 240 Cb -0.11 -1.27 0.81 0.00 -0.34 0.00 0.00 43.02 42.11 2qky s PHE 240 CO 0.24 -0.57 1.77 1.88 -1.46 0.00 0.00 175.22 177.08 2qky h TYR 241 N 8.15 0.00 0.00 10.12 0.05 -1.95 -1.40 116.97 131.94 2qky h TYR 241 Ca -0.26 0.00 0.00 0.00 0.05 0.00 0.00 58.73 58.52 2qky h TYR 241 Cb 1.12 0.00 0.00 0.00 1.01 0.00 0.00 36.73 38.86 2qky h TYR 241 CO 0.46 0.00 0.00 0.45 -1.05 0.00 0.00 178.16 178.02 2qky n SER 242 N -2.96 0.00 -4.94 3.88 2.88 -1.26 -4.67 113.62 106.55 2qky n SER 242 Ca 0.03 0.00 -0.24 0.00 -1.33 0.00 0.00 58.87 57.33 2qky n SER 242 Cb 0.42 0.00 -0.01 0.00 -0.75 0.00 0.00 64.21 63.87 2qky n SER 242 CO 0.00 0.00 0.00 -1.81 -1.23 0.00 0.00 175.04 172.00 2qky s ASP 243 N -4.00 6.20 0.62 -3.46 1.11 -1.26 -4.96 116.67 110.92 2qky s ASP 243 Ca 0.00 0.43 0.33 0.00 0.18 0.00 0.00 52.55 53.48 2qky s ASP 243 Cb 0.00 -1.93 1.79 0.00 1.07 0.00 0.00 42.92 43.85 2qky s ASP 243 CO 0.00 -0.38 2.00 -0.08 1.18 0.00 0.00 175.17 177.89 2qky h GLU 244 N 0.67 0.00 0.00 8.23 4.81 -2.05 0.10 114.58 126.34 2qky h GLU 244 Ca -0.49 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 58.74 2qky h GLU 244 Cb 1.23 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.61 2qky h GLU 244 CO 0.60 0.00 -0.22 0.66 -0.73 0.00 0.00 179.01 179.32 2qky h SER 245 N 0.00 0.00 -2.89 1.04 4.64 -1.92 -3.42 113.55 111.00 2qky h SER 245 Ca 0.00 -0.02 -0.56 0.00 -0.47 0.00 0.00 61.79 60.74 2qky h SER 245 Cb 0.40 0.00 -0.05 0.00 -0.31 0.00 0.00 62.40 62.45 2qky h SER 245 CO 0.00 0.01 1.16 -0.22 -0.87 0.00 0.00 176.83 176.91 2qky s LEU 246 N -5.54 3.50 0.15 5.97 2.96 0.35 -4.85 118.68 121.21 2qky s LEU 246 Ca 0.06 0.81 -0.14 0.00 -0.22 0.00 0.00 54.13 54.65 2qky s LEU 246 Cb 0.08 -3.34 0.02 0.00 0.50 0.00 0.00 46.19 43.46 2qky s LEU 246 CO 0.68 -1.66 1.66 -0.61 -1.32 0.00 0.00 176.35 175.09 2qky h GLN 247 N 11.83 0.77 -5.12 1.98 4.15 -1.86 -3.42 115.11 123.44 2qky h GLN 247 Ca -0.29 -0.18 -0.65 0.00 0.77 0.00 0.00 58.65 58.29 2qky h GLN 247 Cb 1.13 -0.10 -0.27 0.00 0.21 0.00 0.00 27.48 28.44 2qky h GLN 247 CO 1.10 0.75 -0.73 0.71 -1.93 0.00 0.00 178.83 178.73 2qky s TYR 248 N -5.32 2.92 0.22 3.99 2.02 -1.26 -5.09 117.35 114.84 2qky s TYR 248 Ca -0.13 -0.80 -0.32 0.00 -0.37 0.00 0.00 57.07 55.46 2qky s TYR 248 Cb 0.11 -2.01 -0.14 0.00 -0.40 0.00 0.00 41.96 39.52 2qky s TYR 248 CO 0.79 -0.40 1.39 -2.30 -1.57 0.00 0.00 175.55 173.45 2qky n PRO 249 N 4.30 1.90 -3.12 -1.71 -0.02 -1.26 -4.98 135.00 130.11 2qky n PRO 249 Ca -0.18 0.68 -0.29 0.00 -2.02 0.00 0.00 63.50 61.69 2qky n PRO 249 Cb 0.51 -2.32 -0.03 0.00 -0.02 0.00 0.00 33.50 31.64 2qky n PRO 249 CO 0.00 0.00 0.00 0.21 1.98 0.00 0.00 175.50 177.69 2qky s LYS 250 N -0.28 3.67 -0.18 -0.52 2.20 -0.53 -4.92 119.74 119.18 2qky s LYS 250 Ca 0.70 0.16 -0.02 0.00 -0.36 0.00 0.00 55.97 56.45 2qky s LYS 250 Cb -0.69 -2.54 -0.01 0.00 -1.51 0.00 0.00 37.83 33.09 2qky s LYS 250 CO 0.49 0.09 -0.10 0.99 -0.36 0.00 0.00 175.35 176.47 2qky s THR 251 N -2.24 3.09 -0.15 3.43 2.01 -1.26 -0.66 115.64 119.86 2qky s THR 251 Ca 0.46 -0.61 -0.19 0.00 0.31 0.00 0.00 61.69 61.66 2qky s THR 251 Cb -0.10 -2.35 -0.04 0.00 0.01 0.00 0.00 72.50 70.02 2qky s THR 251 CO 0.32 0.48 0.53 -0.69 -0.69 0.00 0.00 174.62 174.56 2qky s VAL 252 N 1.00 5.13 -0.12 3.82 1.01 0.50 -4.93 120.40 126.81 2qky s VAL 252 Ca -0.01 1.03 0.01 0.00 0.00 0.00 0.00 61.98 63.00 2qky s VAL 252 Cb -0.15 -3.86 0.02 0.00 0.00 0.00 0.00 36.38 32.39 2qky s VAL 252 CO -0.01 0.25 -0.13 -0.13 0.00 0.00 0.00 175.10 175.08 2qky s ARG 253 N 1.08 2.04 -0.03 2.72 0.52 -1.25 -0.54 118.95 123.49 2qky s ARG 253 Ca 0.27 -0.47 -0.01 0.00 -0.52 0.00 0.00 55.73 55.00 2qky s ARG 253 Cb -0.16 -1.87 0.02 0.00 0.52 0.00 0.00 34.95 33.46 2qky s ARG 253 CO 0.11 -0.19 0.06 0.54 0.02 0.00 0.00 175.30 175.84 2qky s VAL 254 N 1.37 -0.03 -0.19 3.52 0.11 -0.05 -4.92 120.40 120.21 2qky s VAL 254 Ca 0.01 0.13 -0.30 0.00 -2.93 0.00 0.00 61.98 58.89 2qky s VAL 254 Cb -0.13 -0.10 -0.07 0.00 -1.53 0.00 0.00 36.38 34.54 2qky s VAL 254 CO -0.07 0.05 2.17 -2.65 -3.33 0.00 0.00 175.10 171.27 2qky n PRO 255 N 3.74 1.99 -3.67 1.54 -0.02 -1.26 -0.21 135.00 137.11 2qky n PRO 255 Ca -0.21 0.59 -0.17 0.00 -2.02 0.00 0.00 63.50 61.68 2qky n PRO 255 Cb 0.54 -3.07 -0.16 0.00 -0.02 0.00 0.00 33.50 30.79 2qky n PRO 255 CO 0.00 0.00 0.00 -0.47 1.98 0.00 0.00 175.50 177.01 2qky s TYR 256 N 7.39 -0.12 -0.42 6.00 6.14 -0.35 -4.32 117.35 131.68 2qky s TYR 256 Ca 1.00 0.52 -0.20 0.00 0.64 0.00 0.00 57.07 59.03 2qky s TYR 256 Cb -0.44 -0.31 0.02 0.00 0.42 0.00 0.00 41.96 41.65 2qky s TYR 256 CO 0.39 -0.25 0.59 -1.25 0.64 0.00 0.00 175.55 175.68 2qky s PRO 257 N 2.23 3.34 0.55 4.97 0.04 -1.26 -4.36 135.00 140.50 2qky s PRO 257 Ca 0.03 -0.36 -0.06 0.00 0.04 0.00 0.00 61.00 60.65 2qky s PRO 257 Cb -0.12 -3.92 -0.02 0.00 0.04 0.00 0.00 34.50 30.48 2qky s PRO 257 CO -0.05 -0.91 0.87 0.15 0.04 0.00 0.00 177.00 177.10 2qky s LYS 258 N 2.65 3.26 -0.31 4.56 1.02 -1.26 0.17 119.74 129.83 2qky s LYS 258 Ca 0.21 0.18 -0.42 0.00 0.02 0.00 0.00 55.97 55.96 2qky s LYS 258 Cb -0.15 -2.29 -0.19 0.00 -0.52 0.00 0.00 37.83 34.69 2qky s LYS 258 CO 0.17 -0.48 1.34 0.00 -0.92 0.00 0.00 175.35 175.46 2qky n ALA 259 N -2.48 -2.03 0.00 5.17 0.00 0.23 -0.96 120.51 120.45 2qky n ALA 259 Ca 0.03 0.50 0.00 0.00 0.00 0.00 0.00 53.44 53.97 2qky n ALA 259 Cb 0.56 -1.76 0.00 0.00 0.00 0.00 0.00 19.45 18.25 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 2.97 2.09 2.18 0.00 0.00 -1.26 -4.85 105.19 106.33 2qky n GLY 260 Ca 0.26 -0.23 -0.19 0.00 0.00 0.00 0.00 46.02 45.85 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 0.00 -3.33 -2.34 4.61 0.00 -0.13 -4.90 120.51 114.43 2qky n ALA 261 Ca 0.00 -0.97 -0.43 0.00 0.00 0.00 0.00 53.44 52.04 2qky n ALA 261 Cb 0.00 -0.09 -0.02 0.00 0.00 0.00 0.00 19.45 19.34 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 -1.73 4.01 0.56 0.00 1.01 -1.26 -4.88 120.40 118.11 2qky s VAL 262 Ca 0.42 1.14 -0.13 0.00 0.00 0.00 0.00 61.98 63.41 2qky s VAL 262 Cb -0.07 -4.04 -0.06 0.00 0.00 0.00 0.00 36.38 32.21 2qky s VAL 262 CO 0.35 -0.44 0.98 0.20 0.00 0.00 0.00 175.10 176.19 2qky s ASN 263 N 3.22 6.40 0.08 3.32 0.01 -1.26 -4.45 114.94 122.26 2qky s ASN 263 Ca 0.60 1.43 -0.26 0.00 -0.71 0.00 0.00 52.86 53.92 2qky s ASN 263 Cb -0.19 -2.46 -0.06 0.00 0.41 0.00 0.00 41.25 38.95 2qky s ASN 263 CO 0.25 -0.71 0.80 -2.16 -1.51 0.00 0.00 177.10 173.76 2qky s PRO 264 N -4.65 4.54 0.58 -0.60 0.04 -1.26 -4.85 135.00 128.81 2qky s PRO 264 Ca 0.56 1.14 -0.07 0.00 0.04 0.00 0.00 61.00 62.67 2qky s PRO 264 Cb -0.10 -3.35 -0.01 0.00 0.04 0.00 0.00 34.50 31.08 2qky s PRO 264 CO 0.43 0.33 0.92 0.95 0.04 0.00 0.00 177.00 179.67 2qky s THR 265 N -0.26 4.09 0.02 1.26 -4.23 -1.24 -4.91 115.64 110.37 2qky s THR 265 Ca 0.39 0.24 0.01 0.00 -1.18 0.00 0.00 61.69 61.15 2qky s THR 265 Cb -0.21 -3.62 -0.02 0.00 1.34 0.00 0.00 72.50 69.99 2qky s THR 265 CO 0.25 -0.68 -0.05 0.54 -0.54 0.00 0.00 174.62 174.14 2qky s VAL 266 N -3.00 0.34 0.00 2.29 0.11 -1.26 -2.48 120.40 116.39 2qky s VAL 266 Ca 0.53 -0.70 0.02 0.00 -2.93 0.00 0.00 61.98 58.90 2qky s VAL 266 Cb -0.11 -0.39 -0.01 0.00 -1.53 0.00 0.00 36.38 34.35 2qky s VAL 266 CO 0.47 -0.25 -0.07 -0.54 -3.33 0.00 0.00 175.10 171.38 2qky s LYS 267 N -1.02 0.56 -0.02 1.54 1.02 -0.88 -4.99 119.74 115.96 2qky s LYS 267 Ca -0.07 -0.30 0.03 0.00 0.02 0.00 0.00 55.97 55.64 2qky s LYS 267 Cb -0.07 -0.52 -0.03 0.00 -0.52 0.00 0.00 37.83 36.69 2qky s LYS 267 CO -0.00 0.14 -0.07 0.12 -0.92 0.00 0.00 175.35 174.62 2qky s PHE 268 N -0.28 2.91 0.18 3.18 5.36 -1.25 -1.00 117.98 127.08 2qky s PHE 268 Ca 0.02 -0.02 -0.06 0.00 -0.96 0.00 0.00 56.93 55.90 2qky s PHE 268 Cb -0.03 -1.64 -0.02 0.00 -0.34 0.00 0.00 43.02 40.99 2qky s PHE 268 CO -0.00 0.36 0.24 -0.06 -1.46 0.00 0.00 175.22 174.30 2qky s PHE 269 N -0.95 0.68 -0.08 10.12 0.40 -0.93 -0.92 117.98 126.31 2qky s PHE 269 Ca 0.16 -1.01 -0.03 0.00 -0.60 0.00 0.00 56.93 55.45 2qky s PHE 269 Cb -0.11 -0.22 0.04 0.00 0.51 0.00 0.00 43.02 43.24 2qky s PHE 269 CO 0.06 -0.72 0.17 0.08 0.70 0.00 0.00 175.22 175.52 2qky s VAL 270 N -4.05 -0.09 -0.03 -0.44 1.01 -0.25 -1.58 120.40 114.98 2qky s VAL 270 Ca 0.25 0.20 0.07 0.00 0.00 0.00 0.00 61.98 62.50 2qky s VAL 270 Cb 0.04 -0.29 -0.02 0.00 0.00 0.00 0.00 36.38 36.12 2qky s VAL 270 CO 0.05 0.08 -0.25 0.54 0.00 0.00 0.00 175.10 175.53 2qky s VAL 271 N 1.39 2.14 -0.45 2.92 0.11 -0.32 -1.73 120.40 124.44 2qky s VAL 271 Ca -0.07 -1.06 -0.24 0.00 -2.93 0.00 0.00 61.98 57.68 2qky s VAL 271 Cb -0.11 -1.75 0.03 0.00 -1.53 0.00 0.00 36.38 33.01 2qky s VAL 271 CO -0.07 0.58 0.82 0.21 -3.33 0.00 0.00 175.10 173.31 2qky s ASN 272 N -0.48 6.43 0.50 3.54 3.04 -1.26 -0.61 114.94 126.10 2qky s ASN 272 Ca 0.06 -0.06 0.29 0.00 0.04 0.00 0.00 52.86 53.19 2qky s ASN 272 Cb -0.11 -2.40 1.17 0.00 -1.54 0.00 0.00 41.25 38.37 2qky s ASN 272 CO 0.00 -0.95 1.92 0.71 -3.04 0.00 0.00 177.10 175.74 2qky h THR 273 N 6.01 0.25 0.00 -5.21 1.35 -1.30 -3.00 112.91 111.01 2qky h THR 273 Ca -0.25 -0.77 -0.11 0.00 -0.55 0.00 0.00 66.41 64.73 2qky h THR 273 Cb 1.08 1.62 -0.02 0.00 -1.73 0.00 0.00 68.15 69.10 2qky h THR 273 CO 0.98 0.10 -0.54 0.44 -0.25 0.00 0.00 175.52 176.24 2qky h ASP 274 N 0.00 0.00 -2.05 5.36 3.32 -1.92 -3.32 116.42 117.81 2qky h ASP 274 Ca -0.00 0.00 -0.80 0.00 0.02 0.00 0.00 57.03 56.25 2qky h ASP 274 Cb 0.61 0.00 -0.24 0.00 0.22 0.00 0.00 39.33 39.91 2qky h ASP 274 CO 0.01 0.54 1.29 -1.54 -1.72 0.00 0.00 179.24 177.83 2qky n SER 275 N -3.42 7.49 -0.01 6.45 3.41 -1.13 -4.32 113.62 122.08 2qky n SER 275 Ca 0.00 -3.59 -0.01 0.00 -0.26 0.00 0.00 58.87 55.01 2qky n SER 275 Cb 0.66 -1.21 -0.02 0.00 -0.26 0.00 0.00 64.21 63.39 2qky n SER 275 CO 0.00 0.00 0.00 0.18 -0.16 0.00 0.00 175.04 175.06 2qky n LEU 276 N 0.27 0.59 0.03 1.04 4.77 -1.25 -4.72 117.00 117.74 2qky n LEU 276 Ca 0.50 -0.00 0.12 0.00 -0.03 0.00 0.00 56.01 56.59 2qky n LEU 276 Cb 0.26 0.02 0.50 0.00 -2.33 0.00 0.00 43.42 41.87 2qky n LEU 276 CO 0.55 0.15 0.88 -1.54 -1.33 0.00 0.00 177.39 176.11 2qky n SER 277 N -2.18 0.21 -0.11 -1.43 3.41 -1.26 -4.33 113.62 107.93 2qky n SER 277 Ca -0.04 0.53 -0.23 0.00 -0.26 0.00 0.00 58.87 58.87 2qky n SER 277 Cb 0.57 -0.58 -0.08 0.00 -0.26 0.00 0.00 64.21 63.86 2qky n SER 277 CO 0.00 0.00 0.00 -1.20 -0.16 0.00 0.00 175.04 173.68 2qky n SER 278 N -1.71 1.71 -1.81 4.04 7.64 -1.26 -5.04 113.62 117.19 2qky n SER 278 Ca 0.05 0.30 0.00 0.00 1.01 0.00 0.00 58.87 60.23 2qky n SER 278 Cb 0.31 -0.70 0.00 0.00 -1.01 0.00 0.00 64.21 62.80 2qky n SER 278 CO 0.00 0.00 0.00 1.33 -3.01 0.00 0.00 175.04 173.36 2qky n VAL 279 N -4.12 0.00 0.00 0.44 0.24 -1.26 -5.12 118.33 108.51 2qky n VAL 279 Ca -0.42 0.00 0.00 0.00 -2.04 0.00 0.00 64.34 61.88 2qky n VAL 279 Cb 0.77 -1.42 0.00 0.00 -1.47 0.00 0.00 33.84 31.72 2qky n VAL 279 CO 0.00 0.00 0.00 0.35 -2.14 0.00 0.00 176.83 175.04 2qky n THR 280 N -1.06 0.00 -0.81 3.34 -2.24 -1.26 -4.94 114.28 107.31 2qky n THR 280 Ca 0.00 0.00 -0.31 0.00 -2.27 0.00 0.00 64.05 61.47 2qky n THR 280 Cb 0.00 0.00 0.15 0.00 -2.10 0.00 0.00 70.33 68.38 2qky n THR 280 CO 0.00 0.00 0.00 0.21 -0.57 0.00 0.00 175.07 174.71 2qky s ASN 281 N -1.08 3.20 0.50 3.42 3.84 -1.26 -4.96 114.94 118.61 2qky s ASN 281 Ca 0.00 2.14 -0.04 0.00 0.21 0.00 0.00 52.86 55.17 2qky s ASN 281 Cb 0.00 -2.56 -0.02 0.00 -0.55 0.00 0.00 41.25 38.12 2qky s ASN 281 CO 0.00 -2.92 0.79 0.00 -2.79 0.00 0.00 177.10 172.18 2qky s ALA 282 N -2.66 3.45 0.02 1.71 0.00 -1.26 -5.09 121.76 117.93 2qky s ALA 282 Ca 0.66 -0.68 0.05 0.00 0.00 0.00 0.00 51.96 51.99 2qky s ALA 282 Cb -0.22 -2.49 -0.02 0.00 0.00 0.00 0.00 23.12 20.39 2qky s ALA 282 CO 0.57 -0.47 -0.14 -0.08 0.00 0.00 0.00 175.76 175.63 2qky s THR 283 N -2.76 1.14 -0.18 0.00 -1.32 -1.26 -5.07 115.64 106.19 2qky s THR 283 Ca 0.49 -0.86 0.01 0.00 -1.21 0.00 0.00 61.69 60.12 2qky s THR 283 Cb -0.10 -1.00 0.02 0.00 -1.51 0.00 0.00 72.50 69.91 2qky s THR 283 CO 0.43 0.14 -0.17 -0.44 -2.21 0.00 0.00 174.62 172.37 2qky s SER 284 N -0.83 3.09 -0.14 8.08 0.01 -1.26 -4.58 113.70 118.08 2qky s SER 284 Ca 0.03 -0.66 -0.29 0.00 1.31 0.00 0.00 55.95 56.34 2qky s SER 284 Cb -0.07 -1.37 -0.01 0.00 0.21 0.00 0.00 66.02 64.78 2qky s SER 284 CO 0.01 -0.04 1.06 -0.63 0.41 0.00 0.00 173.24 174.05 2qky s ILE 285 N 1.35 4.64 0.32 1.44 -1.09 -0.71 -4.79 121.20 122.35 2qky s ILE 285 Ca 0.04 1.94 -0.16 0.00 -2.23 0.00 0.00 60.65 60.24 2qky s ILE 285 Cb -0.14 -4.25 -0.09 0.00 -1.58 0.00 0.00 42.46 36.41 2qky s ILE 285 CO -0.11 -0.06 0.75 -1.58 -1.23 0.00 0.00 174.94 172.70 2qky s GLN 286 N 2.49 4.04 -0.15 2.79 0.74 -1.26 -1.09 119.66 127.21 2qky s GLN 286 Ca 0.49 0.71 0.01 0.00 0.05 0.00 0.00 55.36 56.62 2qky s GLN 286 Cb -0.19 -2.45 0.02 0.00 1.10 0.00 0.00 33.01 31.49 2qky s GLN 286 CO 0.15 0.17 -0.17 0.42 -0.55 0.00 0.00 175.29 175.31 2qky s ILE 287 N -1.96 1.76 -0.09 -2.34 1.01 -0.09 -4.75 121.20 114.74 2qky s ILE 287 Ca 0.54 -0.76 -0.08 0.00 0.00 0.00 0.00 60.65 60.35 2qky s ILE 287 Cb -0.11 -1.61 -0.04 0.00 0.01 0.00 0.00 42.46 40.71 2qky s ILE 287 CO 0.17 0.49 0.19 0.42 0.00 0.00 0.00 174.94 176.22 2qky s THR 288 N 1.29 5.42 0.57 2.92 -4.23 -1.26 -3.97 115.64 116.38 2qky s THR 288 Ca 0.02 0.29 -0.20 0.00 -1.18 0.00 0.00 61.69 60.61 2qky s THR 288 Cb -0.13 -3.46 -0.04 0.00 1.34 0.00 0.00 72.50 70.20 2qky s THR 288 CO -0.09 0.59 1.23 0.00 -0.54 0.00 0.00 174.62 175.80 2qky n ALA 289 N 1.86 1.07 -1.07 3.99 0.00 -1.26 -4.92 120.51 120.18 2qky n ALA 289 Ca -0.18 0.08 -0.34 0.00 0.00 0.00 0.00 53.44 52.99 2qky n ALA 289 Cb 0.54 -2.27 0.10 0.00 0.00 0.00 0.00 19.45 17.82 2qky n ALA 289 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 177.50 177.15 2qky n PRO 290 N -1.13 0.08 0.00 0.00 -0.04 -1.26 -4.68 135.00 127.97 2qky n PRO 290 Ca 0.12 0.08 0.07 0.00 -0.04 0.00 0.00 63.50 63.74 2qky n PRO 290 Cb 0.46 -1.99 0.33 0.00 -0.04 0.00 0.00 33.50 32.26 2qky n PRO 290 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 2qky n ALA 291 N -3.01 1.71 0.73 0.55 0.00 -1.26 -2.17 120.51 117.07 2qky n ALA 291 Ca 0.10 -0.05 0.10 0.00 0.00 0.00 0.00 53.44 53.58 2qky n ALA 291 Cb 0.51 -1.24 0.44 0.00 0.00 0.00 0.00 19.45 19.17 2qky n ALA 291 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.50 176.37 2qky n SER 292 N -1.46 0.00 -0.08 0.00 3.41 -1.26 -2.85 113.62 111.38 2qky n SER 292 Ca 0.04 0.45 -0.11 0.00 -0.26 0.00 0.00 58.87 58.99 2qky n SER 292 Cb 0.16 -0.48 -0.08 0.00 -0.26 0.00 0.00 64.21 63.56 2qky n SER 292 CO 0.00 0.00 0.00 0.23 -0.16 0.00 0.00 175.04 175.11 2qky n MET 293 N -1.48 0.46 0.15 4.33 2.00 -0.92 -4.54 117.12 117.12 2qky n MET 293 Ca 0.05 0.09 0.09 0.00 0.00 0.00 0.00 57.70 57.94 2qky n MET 293 Cb 0.23 -1.33 0.49 0.00 0.00 0.00 0.00 33.22 32.61 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 -2.97 0.47 0.21 4.03 4.77 -1.10 -2.03 117.00 120.38 2qky n LEU 294 Ca -0.29 0.70 0.09 0.00 -0.03 0.00 0.00 56.01 56.47 2qky n LEU 294 Cb 0.82 -0.74 0.41 0.00 -2.33 0.00 0.00 43.42 41.58 2qky n LEU 294 CO 0.17 -0.86 0.76 0.16 -1.33 0.00 0.00 177.39 176.29 2qky h ILE 295 N 0.00 0.64 -0.03 -0.08 3.07 -1.78 -3.47 117.51 115.85 2qky h ILE 295 Ca 0.00 -1.25 0.00 0.00 1.55 0.00 0.00 64.86 65.16 2qky h ILE 295 Cb 0.12 1.83 0.00 0.00 -0.27 0.00 0.00 36.82 38.50 2qky h ILE 295 CO 0.00 0.26 0.00 0.61 -1.05 0.00 0.00 178.15 177.97 2qky n GLY 296 N 0.22 5.10 3.85 0.16 0.00 -0.86 -5.14 105.19 108.52 2qky n GLY 296 Ca 0.00 -1.05 -0.32 0.00 0.00 0.00 0.00 46.02 44.66 2qky n GLY 296 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 2qky s ASP 297 N 1.16 6.67 0.25 1.61 1.01 -1.26 -5.00 116.67 121.11 2qky s ASP 297 Ca 0.00 1.46 -0.21 0.00 0.71 0.00 0.00 52.55 54.51 2qky s ASP 297 Cb 0.00 -2.46 0.03 0.00 1.01 0.00 0.00 42.92 41.50 2qky s ASP 297 CO 0.00 -0.47 0.71 -1.38 0.21 0.00 0.00 175.17 174.24 2qky s HIS 298 N -2.43 -0.25 0.20 4.23 -3.43 -1.26 -2.29 115.29 110.06 2qky s HIS 298 Ca 0.57 -0.16 0.05 0.00 -0.80 0.00 0.00 55.06 54.72 2qky s HIS 298 Cb -0.10 0.68 -0.05 0.00 -1.43 0.00 0.00 32.58 31.68 2qky s HIS 298 CO 0.27 -1.16 -0.05 0.71 -2.00 0.00 0.00 174.74 172.51 2qky s TYR 299 N -3.87 1.51 -0.27 0.38 2.02 0.10 -4.76 117.35 112.47 2qky s TYR 299 Ca 0.09 -0.81 -0.09 0.00 -0.37 0.00 0.00 57.07 55.89 2qky s TYR 299 Cb -0.05 -0.83 -0.03 0.00 -0.40 0.00 0.00 41.96 40.65 2qky s TYR 299 CO 0.03 0.07 0.12 -1.17 -1.57 0.00 0.00 175.55 173.04 2qky s LEU 300 N -3.27 3.76 -0.00 -1.29 2.96 -1.26 -1.98 118.68 117.60 2qky s LEU 300 Ca 0.24 -0.22 0.07 0.00 -0.22 0.00 0.00 54.13 54.00 2qky s LEU 300 Cb 0.04 -2.00 -0.07 0.00 0.50 0.00 0.00 46.19 44.65 2qky s LEU 300 CO 0.06 -0.08 0.28 0.00 -1.32 0.00 0.00 176.35 175.30 2qky s ASP 302 N -1.68 -0.54 -0.28 0.00 -1.08 -1.23 -4.84 116.67 107.02 2qky s ASP 302 Ca 0.02 0.68 -0.02 0.00 -0.52 0.00 0.00 52.55 52.72 2qky s ASP 302 Cb 0.05 0.65 0.12 0.00 -1.46 0.00 0.00 42.92 42.28 2qky s ASP 302 CO 0.28 -0.48 0.22 -0.69 0.52 0.00 0.00 175.17 175.03 2qky s VAL 303 N -0.87 -0.26 -0.12 1.11 1.01 -1.26 -1.71 120.40 118.30 2qky s VAL 303 Ca -0.09 -0.56 0.01 0.00 0.00 0.00 0.00 61.98 61.35 2qky s VAL 303 Cb -0.02 -0.95 0.02 0.00 0.00 0.00 0.00 36.38 35.42 2qky s VAL 303 CO 0.06 -0.55 -0.15 -0.89 0.00 0.00 0.00 175.10 173.57 2qky s THR 304 N 2.25 1.56 0.21 3.92 2.01 -0.30 -4.99 115.64 120.30 2qky s THR 304 Ca 0.09 -0.66 -0.30 0.00 0.31 0.00 0.00 61.69 61.13 2qky s THR 304 Cb -0.15 -1.43 -0.08 0.00 0.01 0.00 0.00 72.50 70.85 2qky s THR 304 CO -0.33 0.45 0.99 0.26 -0.69 0.00 0.00 174.62 175.31 2qky s TRP 305 N 1.11 3.85 -0.13 4.92 0.52 -1.26 0.87 118.94 128.82 2qky s TRP 305 Ca -0.04 1.83 0.09 0.00 0.02 0.00 0.00 56.10 58.00 2qky s TRP 305 Cb -0.14 -3.08 -0.14 0.00 -1.15 0.00 0.00 33.47 28.96 2qky s TRP 305 CO -0.04 0.13 0.01 0.00 0.02 0.00 0.00 176.95 177.07 2qky n ALA 306 N 1.80 1.69 -3.00 0.98 0.00 0.70 -4.88 120.51 117.80 2qky n ALA 306 Ca -0.00 -0.78 0.00 0.00 0.00 0.00 0.00 53.44 52.66 2qky n ALA 306 Cb 0.47 0.02 0.00 0.00 0.00 0.00 0.00 19.45 19.94 2qky n ALA 306 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.50 177.75 2qky n THR 307 N -2.54 0.00 0.25 0.00 -2.24 -0.78 -4.43 114.28 104.54 2qky n THR 307 Ca -0.21 0.00 0.15 0.00 -2.27 0.00 0.00 64.05 61.71 2qky n THR 307 Cb 0.88 0.00 0.44 0.00 -2.10 0.00 0.00 70.33 69.55 2qky n THR 307 CO 0.00 0.00 0.00 1.56 -0.57 0.00 0.00 175.07 176.06 2qky h GLN 308 N 0.00 0.00 0.00 -0.78 1.08 -1.98 -3.33 115.11 110.10 2qky h GLN 308 Ca 0.00 0.00 -0.11 0.00 -1.45 0.00 0.00 58.65 57.09 2qky h GLN 308 Cb 0.00 0.00 -0.22 0.00 -0.05 0.00 0.00 27.48 27.21 2qky h GLN 308 CO 0.00 0.01 -0.72 0.39 -0.95 0.00 0.00 178.83 177.55 2qky n GLU 309 N -3.10 0.00 -4.22 1.46 1.02 -1.26 -4.91 120.64 109.63 2qky n GLU 309 Ca 0.02 -1.45 -0.19 0.00 -0.02 0.00 0.00 57.16 55.52 2qky n GLU 309 Cb 0.41 -0.08 -0.16 0.00 -0.02 0.00 0.00 31.44 31.60 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 0.00 0.78 0.02 3.49 3.52 -1.25 -1.32 118.95 124.19 2qky s ARG 310 Ca 0.18 -0.17 0.01 0.00 -0.13 0.00 0.00 55.73 55.62 2qky s ARG 310 Cb 0.20 -0.77 -0.02 0.00 -1.56 0.00 0.00 34.95 32.81 2qky s ARG 310 CO -0.09 0.00 -0.04 -1.50 -0.81 0.00 0.00 175.30 172.86 2qky s ILE 311 N 0.54 0.25 0.08 4.11 2.07 0.83 -0.22 121.20 128.88 2qky s ILE 311 Ca -0.07 -0.79 0.07 0.00 -1.41 0.00 0.00 60.65 58.45 2qky s ILE 311 Cb -0.11 -0.34 -0.04 0.00 0.13 0.00 0.00 42.46 42.10 2qky s ILE 311 CO 0.00 -0.35 -0.14 -0.94 -1.91 0.00 0.00 174.94 171.60 2qky s SER 312 N -1.19 4.10 0.07 4.50 1.04 0.25 0.16 113.70 122.63 2qky s SER 312 Ca -0.11 -0.43 0.04 0.00 0.48 0.00 0.00 55.95 55.93 2qky s SER 312 Cb -0.08 -0.70 -0.03 0.00 0.10 0.00 0.00 66.02 65.31 2qky s SER 312 CO -0.00 0.21 -0.12 -0.76 0.98 0.00 0.00 173.24 173.54 2qky s LEU 313 N -1.93 2.29 -0.10 2.42 1.43 -0.61 -1.15 118.68 121.03 2qky s LEU 313 Ca 0.18 -0.63 0.01 0.00 -1.03 0.00 0.00 54.13 52.66 2qky s LEU 313 Cb -0.11 -0.41 0.02 0.00 0.03 0.00 0.00 46.19 45.72 2qky s LEU 313 CO 0.10 -0.13 -0.12 -1.10 0.23 0.00 0.00 176.35 175.33 2qky s GLN 314 N -1.87 1.86 -0.14 1.70 -0.21 -0.69 -1.50 119.66 118.81 2qky s GLN 314 Ca -0.03 -0.42 -0.02 0.00 0.02 0.00 0.00 55.36 54.91 2qky s GLN 314 Cb -0.09 -1.68 -0.02 0.00 1.00 0.00 0.00 33.01 32.22 2qky s GLN 314 CO 0.02 -0.12 -0.07 -1.58 -2.12 0.00 0.00 175.29 171.42 2qky s TRP 315 N 1.17 2.95 -0.04 0.91 0.52 0.17 -1.27 118.94 123.35 2qky s TRP 315 Ca -0.04 -0.40 0.07 0.00 0.02 0.00 0.00 56.10 55.75 2qky s TRP 315 Cb -0.14 -1.90 -0.02 0.00 -1.15 0.00 0.00 33.47 30.26 2qky s TRP 315 CO -0.03 -0.07 -0.25 -1.17 0.02 0.00 0.00 176.95 175.45 2qky s LEU 316 N 0.28 2.10 0.34 2.99 2.96 -0.84 0.10 118.68 126.62 2qky s LEU 316 Ca -0.06 -0.47 -0.24 0.00 -0.22 0.00 0.00 54.13 53.14 2qky s LEU 316 Cb -0.15 -1.37 -0.10 0.00 0.50 0.00 0.00 46.19 45.08 2qky s LEU 316 CO 0.04 0.29 0.92 -0.13 -1.32 0.00 0.00 176.35 176.15 2qky s ARG 317 N -0.43 4.45 0.58 1.98 0.52 -1.14 0.03 118.95 124.94 2qky s ARG 317 Ca 0.04 1.22 0.36 0.00 -0.52 0.00 0.00 55.73 56.83 2qky s ARG 317 Cb -0.12 -2.64 1.31 0.00 0.52 0.00 0.00 34.95 34.03 2qky s ARG 317 CO 0.01 0.21 1.49 -0.09 0.02 0.00 0.00 175.30 176.93 2qky h ARG 318 N 2.84 0.00 -3.63 3.54 2.43 -1.78 0.65 114.38 118.42 2qky h ARG 318 Ca -0.47 0.00 -0.79 0.00 -0.81 0.00 0.00 59.98 57.91 2qky h ARG 318 Cb 1.19 0.00 -0.25 0.00 -0.42 0.00 0.00 29.97 30.48 2qky h ARG 318 CO 0.64 0.00 0.78 -0.89 -1.51 0.00 0.00 179.97 178.99 2qky n ILE 319 N -3.60 4.67 0.00 1.20 2.08 -1.26 -4.90 119.36 117.54 2qky n ILE 319 Ca 0.30 -5.33 0.00 0.00 0.56 0.00 0.00 62.75 58.28 2qky n ILE 319 Cb 1.63 -2.45 0.00 0.00 -0.75 0.00 0.00 39.64 38.07 2qky n ILE 319 CO 0.00 0.00 0.00 0.00 0.56 0.00 0.00 176.55 177.11 2qky n GLN 320 N 2.98 0.00 -0.04 0.38 6.02 0.22 -3.57 117.38 123.37 2qky n GLN 320 Ca 0.28 0.00 0.05 0.00 -0.01 0.00 0.00 57.00 57.31 2qky n GLN 320 Cb 0.38 -1.02 0.06 0.00 1.02 0.00 0.00 30.24 30.69 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 1.50 2.06 -3.60 1.08 0.23 -1.26 -0.71 115.26 114.55 2qky n ASN 321 Ca 0.00 -1.57 -0.16 0.00 -0.53 0.00 0.00 54.58 52.33 2qky n ASN 321 Cb 0.00 -0.06 -0.14 0.00 -2.08 0.00 0.00 39.78 37.51 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 -0.83 -0.32 0.22 -2.53 6.14 -1.23 -0.43 117.35 118.36 2qky s TYR 322 Ca 0.13 0.62 0.07 0.00 0.64 0.00 0.00 57.07 58.54 2qky s TYR 322 Cb 0.08 -0.20 -0.05 0.00 0.42 0.00 0.00 41.96 42.21 2qky s TYR 322 CO 0.12 -0.43 -0.13 -1.54 0.64 0.00 0.00 175.55 174.21 2qky s SER 323 N 2.36 2.59 0.05 4.32 1.04 0.03 -2.90 113.70 121.19 2qky s SER 323 Ca 0.04 -1.05 0.03 0.00 0.48 0.00 0.00 55.95 55.44 2qky s SER 323 Cb -0.13 -0.14 -0.03 0.00 0.10 0.00 0.00 66.02 65.82 2qky s SER 323 CO -0.09 -0.21 -0.09 -0.69 0.98 0.00 0.00 173.24 173.14 2qky s VAL 324 N -2.99 0.66 -0.15 5.02 1.01 0.12 -1.10 120.40 122.96 2qky s VAL 324 Ca 0.24 -1.14 0.01 0.00 0.00 0.00 0.00 61.98 61.09 2qky s VAL 324 Cb 0.00 -0.72 0.02 0.00 0.00 0.00 0.00 36.38 35.68 2qky s VAL 324 CO 0.08 -0.36 -0.18 -0.32 0.00 0.00 0.00 175.10 174.32 2qky s MET 325 N -1.65 2.64 -0.00 2.72 1.75 0.19 0.46 119.30 125.40 2qky s MET 325 Ca -0.08 -0.70 -0.02 0.00 -1.25 0.00 0.00 55.69 53.64 2qky s MET 325 Cb -0.10 -2.27 -0.04 0.00 2.84 0.00 0.00 34.83 35.26 2qky s MET 325 CO 0.01 -0.15 0.14 -0.51 -0.65 0.00 0.00 175.02 173.86 2qky s ASP 326 N 1.20 6.08 -0.17 1.11 1.01 -0.56 -1.19 116.67 124.14 2qky s ASP 326 Ca 0.00 0.25 0.01 0.00 0.71 0.00 0.00 52.55 53.53 2qky s ASP 326 Cb -0.14 -1.84 0.02 0.00 1.01 0.00 0.00 42.92 41.98 2qky s ASP 326 CO -0.08 0.26 -0.17 -0.63 0.21 0.00 0.00 175.17 174.76 2qky s ILE 327 N -1.29 1.88 -0.09 0.77 1.01 -1.21 -1.57 121.20 120.71 2qky s ILE 327 Ca 0.26 -0.85 0.04 0.00 0.00 0.00 0.00 60.65 60.09 2qky s ILE 327 Cb -0.12 -1.73 -0.01 0.00 0.01 0.00 0.00 42.46 40.60 2qky s ILE 327 CO 0.17 0.49 -0.20 0.00 0.00 0.00 0.00 174.94 175.40 2qky s ASP 329 N 0.07 6.34 -0.34 0.00 1.11 -0.55 -0.12 116.67 123.19 2qky s ASP 329 Ca -0.09 0.16 -0.18 0.00 0.18 0.00 0.00 52.55 52.63 2qky s ASP 329 Cb -0.15 -1.91 -0.01 0.00 1.07 0.00 0.00 42.92 41.92 2qky s ASP 329 CO 0.06 0.01 0.51 -0.47 1.18 0.00 0.00 175.17 176.45 2qky s TYR 330 N -1.82 3.19 -0.40 4.23 5.04 -0.44 -1.59 117.35 125.57 2qky s TYR 330 Ca 0.35 0.24 -0.24 0.00 -2.44 0.00 0.00 57.07 54.98 2qky s TYR 330 Cb -0.10 -2.88 0.02 0.00 0.35 0.00 0.00 41.96 39.34 2qky s TYR 330 CO 0.29 -0.50 0.82 0.34 -1.34 0.00 0.00 175.55 175.16 2qky s ASP 331 N 1.73 6.52 0.46 4.32 -1.08 -0.56 -4.93 116.67 123.13 2qky s ASP 331 Ca 0.19 0.23 0.24 0.00 -0.52 0.00 0.00 52.55 52.69 2qky s ASP 331 Cb -0.15 -2.41 1.05 0.00 -1.46 0.00 0.00 42.92 39.95 2qky s ASP 331 CO 0.13 -0.84 1.89 -0.33 0.52 0.00 0.00 175.17 176.54 2qky h GLU 332 N 8.69 0.00 0.00 4.34 5.08 -1.95 0.31 114.58 131.05 2qky h GLU 332 Ca -0.24 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.12 2qky h GLU 332 Cb 1.09 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.34 2qky h GLU 332 CO 0.95 0.21 -0.56 -1.13 -1.00 0.00 0.00 179.01 177.49 2qky n SER 333 N -3.49 0.66 -0.01 1.42 3.41 -1.26 -3.97 113.62 110.38 2qky n SER 333 Ca -0.01 0.11 0.02 0.00 -0.26 0.00 0.00 58.87 58.73 2qky n SER 333 Cb 0.38 0.10 -0.06 0.00 -0.26 0.00 0.00 64.21 64.37 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 -2.02 3.12 0.00 4.04 3.41 -1.14 -4.99 113.62 116.04 2qky n SER 334 Ca 0.04 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.65 2qky n SER 334 Cb 0.42 1.17 0.00 0.00 -0.26 0.00 0.00 64.21 65.54 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 2.18 0.48 3.73 5.00 0.00 0.11 -5.00 105.19 111.70 2qky n GLY 335 Ca -0.05 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.69 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 -0.37 2.14 -0.37 1.61 0.52 -1.22 -4.92 118.95 116.35 2qky s ARG 336 Ca 0.00 -2.12 -0.16 0.00 -0.52 0.00 0.00 55.73 52.94 2qky s ARG 336 Cb 0.00 -1.76 -0.00 0.00 0.52 0.00 0.00 34.95 33.71 2qky s ARG 336 CO 0.00 -0.23 0.38 -1.58 0.02 0.00 0.00 175.30 173.88 2qky s TRP 337 N -2.74 3.20 -0.16 -0.53 0.52 -1.26 -1.50 118.94 116.47 2qky s TRP 337 Ca 0.28 -0.17 -0.16 0.00 0.02 0.00 0.00 56.10 56.06 2qky s TRP 337 Cb 0.04 -2.72 -0.04 0.00 -1.15 0.00 0.00 33.47 29.60 2qky s TRP 337 CO 0.15 -0.52 0.40 -0.80 0.02 0.00 0.00 176.95 176.20 2qky s ASN 338 N 1.75 6.54 -0.42 2.95 0.02 -0.62 -4.90 114.94 120.27 2qky s ASN 338 Ca 0.11 0.63 0.03 0.00 -1.02 0.00 0.00 52.86 52.62 2qky s ASN 338 Cb -0.17 -2.24 0.12 0.00 0.02 0.00 0.00 41.25 38.98 2qky s ASN 338 CO 0.12 0.01 0.16 0.00 0.02 0.00 0.00 177.10 177.40 2qky n LEU 340 N 3.80 4.09 0.14 0.00 4.77 -1.26 -4.85 117.00 123.70 2qky n LEU 340 Ca 0.04 0.94 0.10 0.00 -0.03 0.00 0.00 56.01 57.06 2qky n LEU 340 Cb 0.37 -1.53 0.51 0.00 -2.33 0.00 0.00 43.42 40.45 2qky n LEU 340 CO 0.26 0.18 0.79 0.55 -1.33 0.00 0.00 177.39 177.84 2qky n VAL 341 N 5.21 1.14 1.19 4.08 3.14 -1.26 0.49 118.33 132.33 2qky n VAL 341 Ca 0.19 0.71 0.14 0.00 -2.96 0.00 0.00 64.34 62.43 2qky n VAL 341 Cb 0.39 -1.71 0.61 0.00 -1.06 0.00 0.00 33.84 32.07 2qky n VAL 341 CO 0.00 0.00 0.00 0.00 -6.46 0.00 0.00 176.83 170.37 2qky n ALA 342 N -1.74 2.60 -1.86 1.55 0.00 -1.26 -2.54 120.51 117.26 2qky n ALA 342 Ca -0.01 -0.17 -0.23 0.00 0.00 0.00 0.00 53.44 53.02 2qky n ALA 342 Cb 0.04 -1.41 0.05 0.00 0.00 0.00 0.00 19.45 18.13 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 -1.34 3.28 -4.53 0.00 1.74 0.18 -4.42 116.66 111.57 2qky n ARG 343 Ca 0.10 -3.94 -0.33 0.00 -0.77 0.00 0.00 57.85 52.91 2qky n ARG 343 Cb 0.30 -2.23 -0.13 0.00 -1.02 0.00 0.00 32.46 29.39 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 -3.60 3.49 -0.05 5.56 0.74 -1.05 -3.31 119.66 121.44 2qky s GLN 344 Ca 0.52 -0.57 0.05 0.00 0.05 0.00 0.00 55.36 55.42 2qky s GLN 344 Cb 0.42 -2.80 -0.01 0.00 1.10 0.00 0.00 33.01 31.73 2qky s GLN 344 CO 0.02 0.29 -0.21 -1.01 -0.55 0.00 0.00 175.29 173.83 2qky s HIS 345 N 0.21 2.07 0.05 1.67 3.76 -0.33 -4.95 115.29 117.77 2qky s HIS 345 Ca -0.04 -0.60 0.00 0.00 -0.15 0.00 0.00 55.06 54.27 2qky s HIS 345 Cb -0.14 -1.37 -0.04 0.00 1.11 0.00 0.00 32.58 32.14 2qky s HIS 345 CO 0.04 -0.18 0.17 0.42 -0.85 0.00 0.00 174.74 174.33 2qky s ILE 346 N -0.09 5.16 -0.22 0.60 1.01 -1.26 0.54 121.20 126.94 2qky s ILE 346 Ca -0.03 -0.43 -0.04 0.00 0.00 0.00 0.00 60.65 60.15 2qky s ILE 346 Cb -0.12 -3.48 0.11 0.00 0.01 0.00 0.00 42.46 38.98 2qky s ILE 346 CO 0.03 0.19 0.34 -0.70 0.00 0.00 0.00 174.94 174.80 2qky s GLU 347 N -2.32 0.30 0.24 2.79 2.12 -0.26 -4.98 118.70 116.59 2qky s GLU 347 Ca 0.31 0.54 0.01 0.00 0.36 0.00 0.00 54.97 56.20 2qky s GLU 347 Cb -0.13 -0.50 -0.05 0.00 0.26 0.00 0.00 34.13 33.71 2qky s GLU 347 CO 0.24 -0.57 0.09 0.00 -0.54 0.00 0.00 175.26 174.47 2qky s MET 348 N 2.50 1.35 0.00 4.30 0.23 -1.26 -0.79 119.30 125.62 2qky s MET 348 Ca 0.09 -1.72 0.03 0.00 -1.03 0.00 0.00 55.69 53.06 2qky s MET 348 Cb -0.15 -0.20 -0.01 0.00 -1.53 0.00 0.00 34.83 32.94 2qky s MET 348 CO -0.14 -0.28 -0.09 0.45 -2.03 0.00 0.00 175.02 172.93 2qky s SER 349 N -3.28 1.06 0.00 -1.18 0.15 0.42 -4.97 113.70 105.90 2qky s SER 349 Ca 0.36 -0.21 0.18 0.00 0.70 0.00 0.00 55.95 56.98 2qky s SER 349 Cb 0.08 -0.10 -0.03 0.00 -1.71 0.00 0.00 66.02 64.25 2qky s SER 349 CO 0.12 0.08 0.90 0.35 1.20 0.00 0.00 173.24 175.89 2qky n THR 350 N 2.69 0.00 -0.04 6.45 -2.24 -1.26 -4.30 114.28 115.58 2qky n THR 350 Ca -0.14 -0.28 0.03 0.00 -2.27 0.00 0.00 64.05 61.39 2qky n THR 350 Cb 0.57 1.18 -0.14 0.00 -2.10 0.00 0.00 70.33 69.83 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 -0.29 0.45 0.00 4.28 -2.24 -1.26 -5.07 114.28 110.15 2qky n THR 351 Ca 0.07 -0.55 0.00 0.00 -2.27 0.00 0.00 64.05 61.30 2qky n THR 351 Cb 0.36 -0.16 0.00 0.00 -2.10 0.00 0.00 70.33 68.43 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 1.62 2.26 1.35 3.38 0.00 -1.26 -4.83 105.19 107.72 2qky n GLY 352 Ca -0.13 0.19 -0.07 0.00 0.00 0.00 0.00 46.02 46.01 2qky n GLY 352 CO 0.00 0.00 0.00 -2.67 0.00 0.00 0.00 173.32 170.65 2qky n TRP 353 N 0.00 -2.32 -3.90 1.61 2.14 -1.26 -4.50 117.44 109.20 2qky n TRP 353 Ca 0.00 -0.76 -0.35 0.00 2.07 0.00 0.00 57.50 58.46 2qky n TRP 353 Cb 0.00 -0.18 -0.14 0.00 -0.81 0.00 0.00 31.31 30.18 2qky n TRP 353 CO 0.00 0.00 0.00 0.08 2.07 0.00 0.00 177.69 179.84 2qky s VAL 354 N -0.45 3.31 0.00 -1.67 1.01 0.11 -4.55 120.40 118.17 2qky s VAL 354 Ca 0.18 -0.67 0.00 0.00 0.00 0.00 0.00 61.98 61.50 2qky s VAL 354 Cb -0.01 -2.58 0.00 0.00 0.00 0.00 0.00 36.38 33.79 2qky s VAL 354 CO 0.12 0.32 0.00 0.61 0.00 0.00 0.00 175.10 176.14 2qky n GLY 355 N 4.77 0.01 0.18 4.51 0.00 -1.26 -2.91 105.19 110.50 2qky n GLY 355 Ca -0.17 -1.79 -0.14 0.00 0.00 0.00 0.00 46.02 43.92 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 -0.37 0.00 1.61 3.08 -1.96 -3.40 114.38 113.35 2qky h ARG 356 Ca 0.00 0.03 0.00 0.00 0.07 0.00 0.00 59.98 60.08 2qky h ARG 356 Cb 0.00 0.08 0.00 0.00 0.08 0.00 0.00 29.97 30.13 2qky h ARG 356 CO 0.00 -0.14 -0.74 1.19 -1.07 0.00 0.00 179.97 179.22 2qky n PHE 357 N -5.19 0.00 -3.63 3.04 3.72 -1.26 -4.93 117.46 109.22 2qky n PHE 357 Ca -0.10 0.00 -0.14 0.00 -0.05 0.00 0.00 57.45 57.16 2qky n PHE 357 Cb 0.22 0.00 -0.06 0.00 -0.94 0.00 0.00 39.48 38.70 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 -1.74 0.95 0.10 -1.08 1.70 -1.26 -4.96 118.95 112.66 2qky s ARG 358 Ca 0.00 -0.22 -0.36 0.00 -0.47 0.00 0.00 55.73 54.68 2qky s ARG 358 Cb 0.00 0.43 -0.17 0.00 -0.57 0.00 0.00 34.95 34.64 2qky s ARG 358 CO 0.00 -0.32 1.16 -2.30 -1.08 0.00 0.00 175.30 172.76 2qky n PRO 359 N 0.61 0.79 -0.90 3.89 -0.02 -1.14 -4.50 135.00 133.72 2qky n PRO 359 Ca -0.19 0.28 -0.30 0.00 -2.02 0.00 0.00 63.50 61.28 2qky n PRO 359 Cb 0.59 -1.80 0.17 0.00 -0.02 0.00 0.00 33.50 32.44 2qky n PRO 359 CO 0.00 0.00 0.00 -1.54 1.98 0.00 0.00 175.50 175.94 2qky s SER 360 N 0.11 2.80 0.22 2.55 1.04 -1.26 -4.93 113.70 114.22 2qky s SER 360 Ca 0.81 1.73 0.03 0.00 0.48 0.00 0.00 55.95 59.01 2qky s SER 360 Cb -1.00 -2.35 -0.03 0.00 0.10 0.00 0.00 66.02 62.74 2qky s SER 360 CO 0.52 -3.10 0.35 -1.83 0.98 0.00 0.00 173.24 170.16 2qky s GLU 361 N -4.73 3.45 0.37 4.02 1.03 -1.26 -4.91 118.70 116.66 2qky s GLU 361 Ca 0.65 -0.63 -0.01 0.00 0.03 0.00 0.00 54.97 55.02 2qky s GLU 361 Cb -0.21 -2.89 -0.03 0.00 -0.80 0.00 0.00 34.13 30.20 2qky s GLU 361 CO 0.59 0.43 0.59 -1.25 -1.33 0.00 0.00 175.26 174.30 2qky s PRO 362 N -3.70 3.50 -0.23 -4.83 0.04 -1.26 -4.45 135.00 124.08 2qky s PRO 362 Ca 0.35 -0.22 -0.01 0.00 0.04 0.00 0.00 61.00 61.16 2qky s PRO 362 Cb -0.10 -2.61 0.07 0.00 0.04 0.00 0.00 34.50 31.90 2qky s PRO 362 CO 0.29 0.08 0.03 -1.01 0.04 0.00 0.00 177.00 176.44 2qky s HIS 363 N -2.39 1.53 0.52 0.56 3.76 -0.14 -4.94 115.29 114.21 2qky s HIS 363 Ca 0.42 -1.29 -0.09 0.00 -0.15 0.00 0.00 55.06 53.94 2qky s HIS 363 Cb -0.10 -1.33 -0.05 0.00 1.11 0.00 0.00 32.58 32.21 2qky s HIS 363 CO 0.37 -0.72 0.89 -0.06 -0.85 0.00 0.00 174.74 174.38 2qky s PHE 364 N 1.68 3.56 0.46 1.40 0.40 -1.26 -0.47 117.98 123.76 2qky s PHE 364 Ca 0.00 1.09 -0.08 0.00 -0.60 0.00 0.00 56.93 57.35 2qky s PHE 364 Cb -0.18 -2.53 -0.05 0.00 0.51 0.00 0.00 43.02 40.78 2qky s PHE 364 CO -0.12 -0.41 0.80 0.95 0.70 0.00 0.00 175.22 177.14 2qky s THR 365 N -2.83 4.85 0.16 0.64 -4.23 0.20 -4.89 115.64 109.54 2qky s THR 365 Ca 0.52 0.41 -0.19 0.00 -1.18 0.00 0.00 61.69 61.25 2qky s THR 365 Cb -0.11 -3.81 0.08 0.00 1.34 0.00 0.00 72.50 70.01 2qky s THR 365 CO 0.45 -0.74 1.26 -0.11 -0.54 0.00 0.00 174.62 174.94 2qky n LEU 366 N -1.92 -0.68 -0.19 4.79 7.94 -1.26 0.14 117.00 125.83 2qky n LEU 366 Ca 0.02 1.44 0.00 0.00 -1.11 0.00 0.00 56.01 56.35 2qky n LEU 366 Cb 0.55 -0.27 0.00 0.00 0.53 0.00 0.00 43.42 44.23 2qky n LEU 366 CO 0.51 -1.24 0.20 -0.90 -1.11 0.00 0.00 177.39 174.85 2qky n ASP 367 N -5.12 0.18 -1.67 1.96 5.75 -1.26 -4.80 116.55 111.59 2qky n ASP 367 Ca 0.05 -0.97 -0.05 0.00 -0.01 0.00 0.00 54.79 53.82 2qky n ASP 367 Cb 0.28 -0.09 -0.01 0.00 -1.03 0.00 0.00 41.12 40.26 2qky n ASP 367 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 2qky n GLY 368 N 0.09 0.07 0.47 6.12 0.00 0.38 -4.74 105.19 107.57 2qky n GLY 368 Ca 0.00 0.00 0.11 0.00 0.00 0.00 0.00 46.02 46.13 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 -0.35 1.89 -3.55 1.61 3.02 -1.26 -4.90 115.26 111.71 2qky n ASN 369 Ca -0.05 -1.43 -0.17 0.00 -0.03 0.00 0.00 54.58 52.91 2qky n ASN 369 Cb 0.31 0.40 -0.06 0.00 -0.61 0.00 0.00 39.78 39.81 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 -2.46 -0.68 0.19 6.41 1.04 -1.26 -2.31 113.70 114.63 2qky s SER 370 Ca 0.20 0.92 0.01 0.00 0.48 0.00 0.00 55.95 57.56 2qky s SER 370 Cb 0.18 0.80 -0.05 0.00 0.10 0.00 0.00 66.02 67.06 2qky s SER 370 CO 0.55 -0.51 0.04 0.72 0.98 0.00 0.00 173.24 175.03 2qky s PHE 371 N -0.74 1.22 0.03 5.02 -0.12 -0.92 0.61 117.98 123.08 2qky s PHE 371 Ca -0.08 -1.12 0.08 0.00 -0.05 0.00 0.00 56.93 55.76 2qky s PHE 371 Cb -0.01 -0.69 -0.03 0.00 -0.63 0.00 0.00 43.02 41.66 2qky s PHE 371 CO 0.07 -0.33 -0.24 0.71 -0.05 0.00 0.00 175.22 175.38 2qky s TYR 372 N -3.79 2.39 -0.20 3.49 1.51 0.38 -0.77 117.35 120.36 2qky s TYR 372 Ca 0.28 -0.38 -0.15 0.00 -1.01 0.00 0.00 57.07 55.82 2qky s TYR 372 Cb 0.07 -1.43 0.06 0.00 -0.11 0.00 0.00 41.96 40.54 2qky s TYR 372 CO 0.06 0.13 0.50 0.21 -1.11 0.00 0.00 175.55 175.35 2qky s LYS 373 N -1.17 0.55 0.00 -0.62 2.20 -1.06 -0.96 119.74 118.68 2qky s LYS 373 Ca 0.12 0.79 -0.30 0.00 -0.36 0.00 0.00 55.97 56.22 2qky s LYS 373 Cb -0.10 0.18 -0.04 0.00 -1.51 0.00 0.00 37.83 36.37 2qky s LYS 373 CO 0.02 -0.10 1.06 0.42 -0.36 0.00 0.00 175.35 176.39 2qky s ILE 374 N 0.75 4.57 0.23 5.43 1.01 -1.26 -1.33 121.20 130.60 2qky s ILE 374 Ca -0.04 1.85 -0.01 0.00 0.00 0.00 0.00 60.65 62.45 2qky s ILE 374 Cb -0.05 -4.18 -0.03 0.00 0.01 0.00 0.00 42.46 38.20 2qky s ILE 374 CO -0.06 0.12 0.21 0.27 0.00 0.00 0.00 174.94 175.48 2qky s ILE 375 N 1.23 0.00 -0.39 2.92 -4.36 0.19 -4.56 121.20 116.23 2qky s ILE 375 Ca 0.54 -1.91 -0.21 0.00 -0.26 0.00 0.00 60.65 58.80 2qky s ILE 375 Cb -0.23 -2.47 0.01 0.00 1.25 0.00 0.00 42.46 41.02 2qky s ILE 375 CO 0.27 0.00 0.67 -0.55 0.24 0.00 0.00 174.94 175.57 2qky s SER 376 N -3.18 6.41 0.88 4.36 0.15 -1.26 0.16 113.70 121.22 2qky s SER 376 Ca 0.37 0.00 0.00 0.00 0.70 0.00 0.00 55.95 57.03 2qky s SER 376 Cb 0.05 -2.34 0.00 0.00 -1.71 0.00 0.00 66.02 62.02 2qky s SER 376 CO 0.14 -0.70 0.00 -0.46 1.20 0.00 0.00 173.24 173.42 2qky n ASN 377 N 6.23 -1.60 0.19 5.45 0.23 0.34 -4.79 115.26 121.30 2qky n ASN 377 Ca -0.00 -0.08 0.03 0.00 -0.53 0.00 0.00 54.58 54.00 2qky n ASN 377 Cb 0.48 0.00 0.37 0.00 -2.08 0.00 0.00 39.78 38.56 2qky n ASN 377 CO 0.00 0.00 0.00 -0.33 -0.93 0.00 0.00 177.26 176.00 2qky h GLU 378 N 0.00 0.00 0.01 -3.83 4.39 -1.97 -2.81 114.58 110.37 2qky h GLU 378 Ca 0.00 0.00 -0.20 0.00 0.34 0.00 0.00 59.36 59.50 2qky h GLU 378 Cb 0.00 0.00 -0.02 0.00 -0.10 0.00 0.00 28.75 28.63 2qky h GLU 378 CO 0.00 0.37 -0.91 0.93 -1.16 0.00 0.00 179.01 178.24 2qky h GLU 379 N 0.00 0.08 0.00 2.33 4.39 -1.97 -3.47 114.58 115.94 2qky h GLU 379 Ca -0.00 -0.10 0.00 0.00 0.34 0.00 0.00 59.36 59.59 2qky h GLU 379 Cb 0.69 0.03 0.00 0.00 -0.10 0.00 0.00 28.75 29.37 2qky h GLU 379 CO 0.05 0.93 0.00 0.41 -1.16 0.00 0.00 179.01 179.24 2qky n GLY 380 N 1.01 1.27 3.83 -3.84 0.00 -1.06 -4.85 105.19 101.56 2qky n GLY 380 Ca -0.02 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.64 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 3.49 -0.09 1.61 1.51 -1.26 -0.61 117.35 120.00 2qky s TYR 381 Ca 0.00 0.44 -0.30 0.00 -1.01 0.00 0.00 57.07 56.20 2qky s TYR 381 Cb 0.00 -1.89 -0.03 0.00 -0.11 0.00 0.00 41.96 39.92 2qky s TYR 381 CO 0.00 0.67 1.30 1.03 -1.11 0.00 0.00 175.55 177.44 2qky s ARG 382 N -1.07 4.28 0.11 -0.62 3.00 -1.26 -0.51 118.95 122.89 2qky s ARG 382 Ca 0.16 1.76 -0.04 0.00 0.00 0.00 0.00 55.73 57.61 2qky s ARG 382 Cb -0.12 -3.68 -0.03 0.00 0.00 0.00 0.00 34.95 31.12 2qky s ARG 382 CO 0.05 -0.61 0.11 -1.01 0.00 0.00 0.00 175.30 173.84 2qky s HIS 383 N 2.93 0.56 -0.52 -0.53 3.76 0.43 -2.20 115.29 119.71 2qky s HIS 383 Ca 0.58 -0.98 -0.29 0.00 -0.15 0.00 0.00 55.06 54.22 2qky s HIS 383 Cb -0.25 -0.29 0.03 0.00 1.11 0.00 0.00 32.58 33.17 2qky s HIS 383 CO 0.20 -0.54 1.18 0.42 -0.85 0.00 0.00 174.74 175.16 2qky s ILE 384 N -3.97 4.09 0.19 0.60 1.01 -1.26 0.55 121.20 122.41 2qky s ILE 384 Ca 0.16 1.05 0.01 0.00 0.00 0.00 0.00 60.65 61.87 2qky s ILE 384 Cb 0.06 -4.64 -0.04 0.00 0.01 0.00 0.00 42.46 37.85 2qky s ILE 384 CO -0.03 -1.16 0.35 0.00 0.00 0.00 0.00 174.94 174.10 2qky s TYR 386 N -1.85 3.25 -0.00 0.00 5.04 0.54 -2.55 117.35 121.77 2qky s TYR 386 Ca 0.36 0.07 0.08 0.00 -2.44 0.00 0.00 57.07 55.15 2qky s TYR 386 Cb -0.11 -2.09 -0.02 0.00 0.35 0.00 0.00 41.96 40.09 2qky s TYR 386 CO 0.29 0.14 -0.26 -0.06 -1.34 0.00 0.00 175.55 174.33 2qky s PHE 387 N 0.42 2.28 -0.28 4.97 0.08 0.05 -0.84 117.98 124.65 2qky s PHE 387 Ca 0.03 -0.43 -0.06 0.00 0.12 0.00 0.00 56.93 56.60 2qky s PHE 387 Cb -0.12 -1.44 0.01 0.00 -0.57 0.00 0.00 43.02 40.89 2qky s PHE 387 CO 0.00 0.01 0.06 -1.14 -0.10 0.00 0.00 175.22 174.05 2qky s GLN 388 N -0.78 3.14 0.56 0.44 2.00 -1.26 -2.17 119.66 121.59 2qky s GLN 388 Ca 0.10 -0.82 0.43 0.00 -2.00 0.00 0.00 55.36 53.08 2qky s GLN 388 Cb -0.10 -3.32 1.56 0.00 0.80 0.00 0.00 33.01 31.96 2qky s GLN 388 CO -0.00 -0.40 1.60 -0.84 -0.50 0.00 0.00 175.29 175.14 2qky h ILE 389 N 5.85 0.11 -0.30 -2.34 3.07 -1.83 0.44 117.51 122.51 2qky h ILE 389 Ca -0.33 0.00 0.00 0.00 1.55 0.00 0.00 64.86 66.08 2qky h ILE 389 Cb 1.13 0.12 0.00 0.00 -0.27 0.00 0.00 36.82 37.80 2qky h ILE 389 CO 0.60 0.00 0.00 -0.90 -1.05 0.00 0.00 178.15 176.80 2qky n ASP 390 N -3.87 3.65 -4.27 2.16 5.75 -1.26 -4.28 116.55 114.42 2qky n ASP 390 Ca 0.36 -2.70 -0.30 0.00 -0.01 0.00 0.00 54.79 52.13 2qky n ASP 390 Cb 1.72 -0.45 -0.16 0.00 -1.03 0.00 0.00 41.12 41.20 2qky n ASP 390 CO 0.00 0.00 0.00 -0.54 -0.11 0.00 0.00 177.20 176.55 2qky s LYS 391 N -2.26 2.18 0.19 0.11 1.02 0.16 -4.89 119.74 116.25 2qky s LYS 391 Ca 0.37 -0.87 0.14 0.00 0.02 0.00 0.00 55.97 55.62 2qky s LYS 391 Cb 0.28 -1.99 -0.04 0.00 -0.52 0.00 0.00 37.83 35.55 2qky s LYS 391 CO 0.11 0.46 1.26 0.87 -0.92 0.00 0.00 175.35 177.14 2qky h LYS 392 N 5.76 0.00 -5.94 1.68 1.79 -1.91 -3.40 116.57 114.55 2qky h LYS 392 Ca -0.38 0.00 -0.57 0.00 -2.18 0.00 0.00 60.65 57.52 2qky h LYS 392 Cb 1.15 0.00 -0.06 0.00 -1.58 0.00 0.00 32.23 31.73 2qky h LYS 392 CO 0.47 0.56 -0.01 -0.51 -1.08 0.00 0.00 179.45 178.88 2qky s ASP 393 N -6.37 6.88 0.45 0.86 1.01 -1.26 -5.01 116.67 113.23 2qky s ASP 393 Ca 0.02 1.05 0.08 0.00 0.71 0.00 0.00 52.55 54.40 2qky s ASP 393 Cb 0.08 -2.36 0.00 0.00 1.01 0.00 0.00 42.92 41.66 2qky s ASP 393 CO 0.78 -0.03 0.44 0.00 0.21 0.00 0.00 175.17 176.57 2qky s THR 395 N -2.51 1.38 0.38 0.00 2.01 -0.02 -4.81 115.64 112.06 2qky s THR 395 Ca 0.48 -0.62 -0.25 0.00 0.31 0.00 0.00 61.69 61.61 2qky s THR 395 Cb -0.04 -1.24 -0.09 0.00 0.01 0.00 0.00 72.50 71.14 2qky s THR 395 CO 0.29 0.41 1.10 -0.36 -0.69 0.00 0.00 174.62 175.37 2qky s PHE 396 N 0.62 3.23 -1.18 4.92 0.08 -1.26 0.20 117.98 124.59 2qky s PHE 396 Ca -0.15 1.62 0.11 0.00 0.12 0.00 0.00 56.93 58.63 2qky s PHE 396 Cb -0.16 -3.26 0.04 0.00 -0.57 0.00 0.00 43.02 39.07 2qky s PHE 396 CO 0.05 -0.89 0.75 0.44 -0.10 0.00 0.00 175.22 175.46 2qky n ILE 397 N 0.17 0.00 -3.86 0.64 -5.35 0.07 -4.85 119.36 106.18 2qky n ILE 397 Ca 0.04 -0.44 -0.11 0.00 -0.27 0.00 0.00 62.75 61.97 2qky n ILE 397 Cb 0.48 1.18 -0.09 0.00 -1.74 0.00 0.00 39.64 39.46 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 -1.21 0.10 0.32 7.28 -4.23 -1.26 -4.93 115.64 111.72 2qky s THR 398 Ca 0.11 -0.82 -0.18 0.00 -1.18 0.00 0.00 61.69 59.62 2qky s THR 398 Cb 0.09 -0.71 0.06 0.00 1.34 0.00 0.00 72.50 73.28 2qky s THR 398 CO 0.21 -0.45 0.85 -1.59 -0.54 0.00 0.00 174.62 173.10 2qky s LYS 399 N -2.04 1.93 0.00 3.99 -2.85 -1.26 -4.61 119.74 114.90 2qky s LYS 399 Ca -0.09 -1.22 0.00 0.00 -1.00 0.00 0.00 55.97 53.65 2qky s LYS 399 Cb -0.04 0.56 0.00 0.00 -2.06 0.00 0.00 37.83 36.29 2qky s LYS 399 CO -0.01 -0.90 0.00 0.41 0.10 0.00 0.00 175.35 174.94 2qky n GLY 400 N -0.56 0.65 2.78 0.59 0.00 -1.26 -4.87 105.19 102.52 2qky n GLY 400 Ca -0.07 -2.16 -0.33 0.00 0.00 0.00 0.00 46.02 43.47 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 3.05 4.15 -3.63 2.61 -2.24 -1.26 -4.86 114.28 112.09 2qky n THR 401 Ca 0.00 -5.70 -0.07 0.00 -2.27 0.00 0.00 64.05 56.01 2qky n THR 401 Cb 0.00 -1.61 0.02 0.00 -2.10 0.00 0.00 70.33 66.64 2qky n THR 401 CO 0.00 0.00 0.00 -2.67 -0.57 0.00 0.00 175.07 171.83 2qky n TRP 402 N 0.11 -2.02 -3.95 4.78 4.27 -1.26 -5.04 117.44 114.33 2qky n TRP 402 Ca 0.35 -1.47 -0.11 0.00 -3.89 0.00 0.00 57.50 52.38 2qky n TRP 402 Cb 0.35 0.71 -0.12 0.00 -1.36 0.00 0.00 31.31 30.88 2qky n TRP 402 CO 0.00 0.00 0.00 -1.21 -2.29 0.00 0.00 177.69 174.19 2qky s GLU 403 N -2.10 0.19 -0.00 -2.67 2.02 -1.26 -4.63 118.70 110.25 2qky s GLU 403 Ca 0.13 -0.33 -0.29 0.00 0.02 0.00 0.00 54.97 54.50 2qky s GLU 403 Cb -0.04 0.01 -0.03 0.00 0.10 0.00 0.00 34.13 34.17 2qky s GLU 403 CO 0.10 -0.01 0.92 0.08 0.02 0.00 0.00 175.26 176.36 2qky s VAL 404 N -0.75 4.87 -0.08 2.63 1.01 -0.94 -2.49 120.40 124.65 2qky s VAL 404 Ca -0.08 1.93 -0.02 0.00 0.00 0.00 0.00 61.98 63.81 2qky s VAL 404 Cb -0.05 -4.26 -0.01 0.00 0.00 0.00 0.00 36.38 32.05 2qky s VAL 404 CO -0.00 0.20 0.10 0.40 0.00 0.00 0.00 175.10 175.79 2qky h ILE 405 N 4.70 0.00 -3.35 2.22 1.08 0.13 -3.45 117.51 118.84 2qky h ILE 405 Ca -0.41 -0.84 -0.01 0.00 -0.39 0.00 0.00 64.86 63.20 2qky h ILE 405 Cb 1.21 0.00 -0.09 0.00 -3.07 0.00 0.00 36.82 34.88 2qky h ILE 405 CO 0.75 0.00 0.02 -0.83 -0.69 0.00 0.00 178.15 177.40 2qky s GLY 406 N -3.30 0.10 -0.15 5.37 0.00 -1.06 -4.98 107.32 103.31 2qky s GLY 406 Ca -0.01 -0.44 -0.09 0.00 0.00 0.00 0.00 44.72 44.17 2qky s GLY 406 CO 0.04 -0.34 0.16 -0.42 0.00 0.00 0.00 173.10 172.54 2qky s ILE 407 N -3.93 5.43 -0.08 0.90 1.01 -1.26 -0.98 121.20 122.29 2qky s ILE 407 Ca 0.14 0.27 0.13 0.00 0.00 0.00 0.00 60.65 61.18 2qky s ILE 407 Cb -0.02 -3.46 -0.19 0.00 0.01 0.00 0.00 42.46 38.80 2qky s ILE 407 CO 0.03 0.53 0.16 -0.62 0.00 0.00 0.00 174.94 175.04 2qky n GLU 408 N 2.66 1.23 -3.56 2.79 -0.58 0.24 -4.95 120.64 118.47 2qky n GLU 408 Ca -0.18 -0.06 -0.08 0.00 -0.42 0.00 0.00 57.16 56.42 2qky n GLU 408 Cb 0.54 -1.33 -0.03 0.00 -0.57 0.00 0.00 31.44 30.04 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 -2.61 -1.93 -0.18 0.62 0.00 -1.18 -4.86 121.76 111.61 2qky s ALA 409 Ca -0.06 1.41 -0.05 0.00 0.00 0.00 0.00 51.96 53.26 2qky s ALA 409 Cb 0.06 -0.25 0.07 0.00 0.00 0.00 0.00 23.12 23.00 2qky s ALA 409 CO 0.55 -0.49 0.10 -1.17 0.00 0.00 0.00 175.76 174.76 2qky s LEU 410 N -1.78 0.32 0.56 0.00 2.96 -1.26 -0.06 118.68 119.41 2qky s LEU 410 Ca 0.03 -0.64 0.08 0.00 -0.22 0.00 0.00 54.13 53.38 2qky s LEU 410 Cb -0.01 -0.20 0.06 0.00 0.50 0.00 0.00 46.19 46.55 2qky s LEU 410 CO -0.04 -0.36 0.61 0.42 -1.32 0.00 0.00 176.35 175.67 2qky s THR 411 N 2.15 1.90 -0.19 3.68 -4.23 0.86 -4.97 115.64 114.85 2qky s THR 411 Ca 0.03 -1.23 0.27 0.00 -1.18 0.00 0.00 61.69 59.58 2qky s THR 411 Cb -0.16 -2.13 0.29 0.00 1.34 0.00 0.00 72.50 71.83 2qky s THR 411 CO -0.12 0.00 1.82 0.77 -0.54 0.00 0.00 174.62 176.55 2qky h SER 412 N 0.44 0.00 0.00 3.99 4.64 -2.01 -3.29 113.55 117.33 2qky h SER 412 Ca -0.33 0.00 -0.10 0.00 -0.47 0.00 0.00 61.79 60.89 2qky h SER 412 Cb 1.30 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 63.37 2qky h SER 412 CO 0.48 0.00 -1.38 0.47 -0.87 0.00 0.00 176.83 175.53 2qky n ASP 413 N -2.49 3.53 -4.43 4.97 8.00 -1.26 -4.93 116.55 119.94 2qky n ASP 413 Ca 0.00 -0.03 -0.21 0.00 0.71 0.00 0.00 54.79 55.26 2qky n ASP 413 Cb 0.18 0.11 -0.10 0.00 -0.02 0.00 0.00 41.12 41.28 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 -2.13 1.97 0.05 1.24 1.51 -1.24 -1.68 117.35 117.07 2qky s TYR 414 Ca -0.07 -0.69 0.05 0.00 -1.01 0.00 0.00 57.07 55.35 2qky s TYR 414 Cb 0.02 -1.13 -0.02 0.00 -0.11 0.00 0.00 41.96 40.72 2qky s TYR 414 CO 0.18 0.29 -0.16 -1.17 -1.11 0.00 0.00 175.55 173.58 2qky s LEU 415 N -3.45 2.19 -0.05 -1.29 0.20 -0.88 -0.10 118.68 115.30 2qky s LEU 415 Ca 0.30 -0.50 0.05 0.00 0.69 0.00 0.00 54.13 54.67 2qky s LEU 415 Cb 0.04 -0.67 -0.01 0.00 -0.43 0.00 0.00 46.19 45.12 2qky s LEU 415 CO 0.12 0.04 -0.21 -0.31 -0.29 0.00 0.00 176.35 175.71 2qky s TYR 416 N -0.91 2.04 0.15 5.38 1.51 0.91 -2.31 117.35 124.12 2qky s TYR 416 Ca 0.02 -0.59 -0.04 0.00 -1.01 0.00 0.00 57.07 55.46 2qky s TYR 416 Cb -0.08 -1.35 -0.03 0.00 -0.11 0.00 0.00 41.96 40.39 2qky s TYR 416 CO 0.02 -0.19 0.14 1.52 -1.11 0.00 0.00 175.55 175.93 2qky s TYR 417 N -0.07 0.74 -0.11 2.71 -0.85 -1.02 0.82 117.35 119.59 2qky s TYR 417 Ca -0.03 -1.10 0.01 0.00 -0.52 0.00 0.00 57.07 55.42 2qky s TYR 417 Cb -0.12 -0.35 -0.02 0.00 0.38 0.00 0.00 41.96 41.85 2qky s TYR 417 CO 0.03 -0.60 -0.13 0.42 -1.52 0.00 0.00 175.55 173.75 2qky s ILE 418 N -4.03 3.06 0.25 -3.49 -1.09 -0.15 -0.04 121.20 115.70 2qky s ILE 418 Ca 0.23 -0.68 -0.05 0.00 -2.23 0.00 0.00 60.65 57.92 2qky s ILE 418 Cb 0.06 -2.26 -0.02 0.00 -1.58 0.00 0.00 42.46 38.66 2qky s ILE 418 CO 0.02 0.55 0.32 -0.94 -1.23 0.00 0.00 174.94 173.66 2qky s SER 419 N 0.02 0.25 -0.41 3.58 1.04 -0.91 0.17 113.70 117.43 2qky s SER 419 Ca -0.04 -1.25 0.05 0.00 0.48 0.00 0.00 55.95 55.19 2qky s SER 419 Cb -0.14 0.51 0.50 0.00 0.10 0.00 0.00 66.02 66.98 2qky s SER 419 CO 0.04 -1.03 1.59 -0.46 0.98 0.00 0.00 173.24 174.36 2qky n ASN 420 N -0.54 4.68 0.07 7.02 0.23 -1.04 -2.14 115.26 123.54 2qky n ASN 420 Ca 0.01 -3.77 -0.11 0.00 -0.53 0.00 0.00 54.58 50.18 2qky n ASN 420 Cb 0.64 -0.67 -0.08 0.00 -2.08 0.00 0.00 39.78 37.59 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 1.59 -0.23 -4.62 -3.83 4.81 -1.81 -3.31 114.58 107.18 2qky h GLU 421 Ca 0.41 0.02 -0.67 0.00 -0.13 0.00 0.00 59.36 58.98 2qky h GLU 421 Cb 1.52 0.05 0.01 0.00 0.63 0.00 0.00 28.75 30.96 2qky h GLU 421 CO 0.89 0.18 0.55 0.98 -0.73 0.00 0.00 179.01 180.89 2qky n TYR 422 N -4.95 1.34 -1.53 0.92 9.36 -1.26 0.11 117.16 121.14 2qky n TYR 422 Ca -0.08 0.87 -0.18 0.00 3.32 0.00 0.00 57.90 61.83 2qky n TYR 422 Cb 0.26 -1.72 -0.08 0.00 -0.63 0.00 0.00 39.34 37.18 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 3.20 -1.43 -3.36 2.98 5.02 -1.26 -2.54 118.16 120.76 2qky n LYS 423 Ca 0.25 1.14 -0.24 0.00 -2.02 0.00 0.00 58.31 57.44 2qky n LYS 423 Cb -0.05 -5.50 0.00 0.00 -0.02 0.00 0.00 35.03 29.47 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 -0.41 -0.49 3.30 0.72 0.00 0.30 -4.91 105.19 103.70 2qky n GLY 424 Ca -0.18 0.10 -0.39 0.00 0.00 0.00 0.00 46.02 45.55 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 -6.02 2.66 0.32 1.61 1.00 -1.05 -4.97 119.30 112.84 2qky s MET 425 Ca 0.41 -1.21 0.03 0.00 0.00 0.00 0.00 55.69 54.92 2qky s MET 425 Cb -0.21 -3.59 0.53 0.00 0.00 0.00 0.00 34.83 31.56 2qky s MET 425 CO 0.50 -0.73 1.84 -1.00 0.00 0.00 0.00 175.02 175.64 2qky h PRO 426 N 8.31 0.59 -1.01 2.03 0.13 -1.90 -2.47 132.00 137.68 2qky h PRO 426 Ca -0.24 -0.14 -0.03 0.00 -0.87 0.00 0.00 66.00 64.72 2qky h PRO 426 Cb 1.09 -0.08 -0.02 0.00 0.13 0.00 0.00 31.00 32.12 2qky h PRO 426 CO 0.65 0.62 0.04 0.41 -0.23 0.00 0.00 178.00 179.49 2qky n GLY 427 N -0.81 2.17 3.73 1.56 0.00 -1.26 -4.83 105.19 105.76 2qky n GLY 427 Ca 0.02 -0.07 -0.29 0.00 0.00 0.00 0.00 46.02 45.67 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 0.85 2.70 -0.28 -0.02 0.00 -0.93 -2.00 107.32 107.64 2qky s GLY 428 Ca 0.04 -1.33 -0.14 0.00 0.00 0.00 0.00 44.72 43.28 2qky s GLY 428 CO 0.01 -2.10 0.67 0.50 0.00 0.00 0.00 173.10 172.18 2qky s ARG 429 N -3.87 0.67 -0.09 2.90 1.81 -0.78 -4.32 118.95 115.27 2qky s ARG 429 Ca 0.23 1.29 -0.13 0.00 -1.72 0.00 0.00 55.73 55.40 2qky s ARG 429 Cb 0.04 0.35 0.03 0.00 -0.45 0.00 0.00 34.95 34.92 2qky s ARG 429 CO 0.12 -0.16 0.34 -0.80 -0.68 0.00 0.00 175.30 174.12 2qky s ASN 430 N 2.00 -0.31 0.16 0.23 0.01 -0.91 -1.32 114.94 114.80 2qky s ASN 430 Ca -0.09 0.50 -0.30 0.00 -0.71 0.00 0.00 52.86 52.26 2qky s ASN 430 Cb -0.07 0.58 -0.07 0.00 0.41 0.00 0.00 41.25 42.10 2qky s ASN 430 CO -0.20 -0.23 0.99 -0.22 -1.51 0.00 0.00 177.10 175.93 2qky s LEU 431 N -0.33 4.53 0.13 0.60 2.96 -1.26 -2.14 118.68 123.16 2qky s LEU 431 Ca -0.05 1.90 0.07 0.00 -0.22 0.00 0.00 54.13 55.83 2qky s LEU 431 Cb -0.03 -3.60 -0.04 0.00 0.50 0.00 0.00 46.19 43.02 2qky s LEU 431 CO 0.02 -0.05 -0.17 -0.31 -1.32 0.00 0.00 176.35 174.52 2qky s TYR 432 N -0.34 1.60 -0.07 5.38 1.51 0.94 -1.76 117.35 124.62 2qky s TYR 432 Ca 0.46 -0.49 0.05 0.00 -1.01 0.00 0.00 57.07 56.08 2qky s TYR 432 Cb -0.25 -0.84 -0.01 0.00 -0.11 0.00 0.00 41.96 40.76 2qky s TYR 432 CO 0.32 0.21 -0.24 0.21 -1.11 0.00 0.00 175.55 174.94 2qky s LYS 433 N -2.46 2.65 -0.04 -0.62 2.20 0.39 -2.43 119.74 119.43 2qky s LYS 433 Ca 0.09 -0.86 0.03 0.00 -0.36 0.00 0.00 55.97 54.88 2qky s LYS 433 Cb -0.07 -2.15 0.00 0.00 -1.51 0.00 0.00 37.83 34.11 2qky s LYS 433 CO 0.04 0.29 -0.13 -1.50 -0.36 0.00 0.00 175.35 173.69 2qky s ILE 434 N 0.05 1.13 -0.23 5.43 2.07 -0.98 -0.51 121.20 128.17 2qky s ILE 434 Ca -0.09 -0.55 -0.20 0.00 -1.41 0.00 0.00 60.65 58.40 2qky s ILE 434 Cb -0.15 -0.99 -0.02 0.00 0.13 0.00 0.00 42.46 41.43 2qky s ILE 434 CO 0.05 0.34 0.59 -1.58 -1.91 0.00 0.00 174.94 172.43 2qky s GLN 435 N 0.14 4.15 0.55 3.50 0.74 -1.17 -2.08 119.66 125.51 2qky s GLN 435 Ca -0.04 0.50 0.32 0.00 0.05 0.00 0.00 55.36 56.19 2qky s GLN 435 Cb -0.10 -3.61 1.60 0.00 1.10 0.00 0.00 33.01 32.00 2qky s GLN 435 CO 0.01 -0.29 2.10 -0.07 -0.55 0.00 0.00 175.29 176.49 2qky h LEU 436 N 8.46 0.00 0.00 3.68 3.38 -1.68 -1.85 115.31 127.30 2qky h LEU 436 Ca -0.30 0.00 -0.21 0.00 0.09 0.00 0.00 57.88 57.46 2qky h LEU 436 Cb 1.14 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 41.86 2qky h LEU 436 CO 0.76 0.07 -1.17 0.77 0.09 0.00 0.00 178.44 178.96 2qky h SER 437 N 0.00 0.00 -2.62 -0.43 4.64 -1.93 -3.43 113.55 109.78 2qky h SER 437 Ca -0.00 0.00 -0.47 0.00 -0.47 0.00 0.00 61.79 60.85 2qky h SER 437 Cb 0.33 0.00 -0.38 0.00 -0.31 0.00 0.00 62.40 62.04 2qky h SER 437 CO 0.01 0.88 -0.74 -0.62 -0.87 0.00 0.00 176.83 175.49 2qky s ASP 438 N -6.40 2.93 0.00 4.97 -1.08 -0.71 -4.99 116.67 111.39 2qky s ASP 438 Ca -0.01 -1.09 0.13 0.00 -0.52 0.00 0.00 52.55 51.06 2qky s ASP 438 Cb 0.09 -0.09 0.72 0.00 -1.46 0.00 0.00 42.92 42.17 2qky s ASP 438 CO 0.81 -0.42 1.29 -1.22 0.52 0.00 0.00 175.17 176.15 2qky n TYR 439 N 5.27 0.00 0.74 -5.34 4.01 -1.13 -1.38 117.16 119.33 2qky n TYR 439 Ca -0.05 0.00 0.12 0.00 -0.16 0.00 0.00 57.90 57.81 2qky n TYR 439 Cb 0.44 -0.17 0.19 0.00 -0.31 0.00 0.00 39.34 39.48 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 -1.17 0.19 -2.93 -0.72 -2.24 -1.26 -4.55 114.28 101.59 2qky n THR 440 Ca 0.08 -0.16 -0.44 0.00 -2.27 0.00 0.00 64.05 61.26 2qky n THR 440 Cb 0.08 0.06 0.00 0.00 -2.10 0.00 0.00 70.33 68.37 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 -1.85 3.71 -4.05 -0.78 4.76 -0.48 -5.00 118.16 114.46 2qky n LYS 441 Ca 0.04 -4.10 -0.35 0.00 -2.87 0.00 0.00 58.31 51.04 2qky n LYS 441 Cb 0.40 -2.77 -0.11 0.00 -1.84 0.00 0.00 35.03 30.70 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 -0.39 4.32 -0.11 -0.18 1.01 -1.26 -3.02 120.40 120.77 2qky s VAL 442 Ca 0.36 -0.19 -0.00 0.00 0.00 0.00 0.00 61.98 62.15 2qky s VAL 442 Cb -0.00 -2.95 -0.02 0.00 0.00 0.00 0.00 36.38 33.40 2qky s VAL 442 CO 0.00 0.43 -0.10 -0.89 0.00 0.00 0.00 175.10 174.55 2qky s THR 443 N 0.78 3.38 -0.74 3.92 2.01 0.33 -4.93 115.64 120.39 2qky s THR 443 Ca 0.02 -0.56 -0.17 0.00 0.31 0.00 0.00 61.69 61.28 2qky s THR 443 Cb -0.14 -2.42 0.15 0.00 0.01 0.00 0.00 72.50 70.10 2qky s THR 443 CO 0.02 0.54 0.81 0.00 -0.69 0.00 0.00 174.62 175.30 2qky n LEU 445 N 5.58 0.00 0.00 0.00 4.77 -0.72 -3.71 117.00 122.91 2qky n LEU 445 Ca 0.05 0.06 0.00 0.00 -0.03 0.00 0.00 56.01 56.09 2qky n LEU 445 Cb 0.45 -0.06 0.00 0.00 -2.33 0.00 0.00 43.42 41.49 2qky n LEU 445 CO 0.48 -0.05 -0.22 -1.54 -1.33 0.00 0.00 177.39 174.73 2qky n SER 446 N -1.06 1.98 -0.14 -1.43 3.41 -1.23 -4.90 113.62 110.25 2qky n SER 446 Ca 0.03 0.00 -0.04 0.00 -0.26 0.00 0.00 58.87 58.61 2qky n SER 446 Cb 0.02 0.09 -0.03 0.00 -0.26 0.00 0.00 64.21 64.03 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 -3.90 1.60 0.35 0.00 4.07 -1.26 -4.26 120.64 117.24 2qky n GLU 448 Ca 0.01 -0.91 -0.18 0.00 -0.06 0.00 0.00 57.16 56.02 2qky n GLU 448 Cb 0.09 -1.31 -0.09 0.00 -0.06 0.00 0.00 31.44 30.06 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 1.69 -1.22 -6.36 4.31 3.38 -1.57 -3.40 115.31 112.13 2qky h LEU 449 Ca 0.00 0.08 -0.31 0.00 0.09 0.00 0.00 57.88 57.74 2qky h LEU 449 Cb 0.38 0.38 -0.30 0.00 0.09 0.00 0.00 40.66 41.20 2qky h LEU 449 CO 0.00 -0.67 -0.64 0.21 0.09 0.00 0.00 178.44 177.43 2qky s ASN 450 N -4.08 1.02 0.50 -0.43 3.84 -1.26 -5.07 114.94 109.46 2qky s ASN 450 Ca -0.17 -1.14 0.28 0.00 0.21 0.00 0.00 52.86 52.04 2qky s ASN 450 Cb 0.03 0.71 1.28 0.00 -0.55 0.00 0.00 41.25 42.73 2qky s ASN 450 CO 0.56 -0.30 1.98 1.55 -2.79 0.00 0.00 177.10 178.09 2qky h PRO 451 N 7.53 0.00 0.09 0.43 0.13 -1.79 -0.19 132.00 138.20 2qky h PRO 451 Ca -0.02 0.00 -0.36 0.00 -0.87 0.00 0.00 66.00 64.75 2qky h PRO 451 Cb 1.08 0.00 -0.03 0.00 0.13 0.00 0.00 31.00 32.18 2qky h PRO 451 CO 0.24 0.14 -2.04 0.39 -0.23 0.00 0.00 178.00 176.50 2qky n GLU 452 N -3.44 0.72 0.12 0.86 1.02 -1.26 -4.44 120.64 114.22 2qky n GLU 452 Ca -0.01 0.24 -0.24 0.00 -0.02 0.00 0.00 57.16 57.14 2qky n GLU 452 Cb 0.32 -1.69 -0.15 0.00 -0.02 0.00 0.00 31.44 29.90 2qky n GLU 452 CO 0.00 0.00 0.00 -0.09 1.18 0.00 0.00 177.13 178.22 2qky h ARG 453 N 0.05 0.56 -4.80 3.49 2.43 -1.90 -3.40 114.38 110.81 2qky h ARG 453 Ca -0.43 -0.87 -0.68 0.00 -0.81 0.00 0.00 59.98 57.19 2qky h ARG 453 Cb 2.02 0.31 -0.35 0.00 -0.42 0.00 0.00 29.97 31.53 2qky h ARG 453 CO 0.06 1.41 -0.74 0.00 -1.51 0.00 0.00 179.97 179.19 2qky n GLN 455 N 4.51 1.08 -3.54 0.00 6.02 0.25 -4.55 117.38 121.15 2qky n GLN 455 Ca -0.12 -0.87 -0.29 0.00 -0.01 0.00 0.00 57.00 55.71 2qky n GLN 455 Cb 0.43 -0.82 -0.14 0.00 1.02 0.00 0.00 30.24 30.73 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 -0.43 0.68 0.33 1.08 6.14 -1.18 -1.86 117.35 122.11 2qky s TYR 456 Ca 0.00 -1.30 0.07 0.00 0.64 0.00 0.00 57.07 56.48 2qky s TYR 456 Cb 0.00 -1.03 -0.01 0.00 0.42 0.00 0.00 41.96 41.34 2qky s TYR 456 CO 0.00 -0.83 0.46 0.71 0.64 0.00 0.00 175.55 176.53 2qky s TYR 457 N 1.61 3.11 -0.25 4.97 2.02 -0.43 -0.63 117.35 127.74 2qky s TYR 457 Ca 0.13 -0.22 -0.20 0.00 -0.37 0.00 0.00 57.07 56.41 2qky s TYR 457 Cb -0.19 -1.98 0.07 0.00 -0.40 0.00 0.00 41.96 39.46 2qky s TYR 457 CO -0.21 0.01 0.65 0.45 -1.57 0.00 0.00 175.55 174.88 2qky s SER 458 N -4.16 -0.75 0.15 2.29 0.15 -1.14 -4.69 113.70 105.55 2qky s SER 458 Ca 0.45 1.35 0.06 0.00 0.70 0.00 0.00 55.95 58.50 2qky s SER 458 Cb -0.09 1.31 -0.04 0.00 -1.71 0.00 0.00 66.02 65.49 2qky s SER 458 CO 0.31 -0.23 -0.12 0.54 1.20 0.00 0.00 173.24 174.94 2qky s VAL 459 N 0.81 1.33 -0.32 4.45 0.11 -1.26 0.06 120.40 125.58 2qky s VAL 459 Ca -0.04 -2.01 -0.01 0.00 -2.93 0.00 0.00 61.98 56.99 2qky s VAL 459 Cb -0.05 -1.81 0.11 0.00 -1.53 0.00 0.00 36.38 33.10 2qky s VAL 459 CO -0.06 -0.64 0.13 -0.55 -3.33 0.00 0.00 175.10 170.65 2qky s SER 460 N -3.02 3.81 0.60 3.54 0.15 -0.25 -4.95 113.70 113.58 2qky s SER 460 Ca 0.16 -1.70 -0.14 0.00 0.70 0.00 0.00 55.95 54.96 2qky s SER 460 Cb -0.00 -0.74 -0.04 0.00 -1.71 0.00 0.00 66.02 63.54 2qky s SER 460 CO 0.03 -0.40 1.04 -0.36 1.20 0.00 0.00 173.24 174.75 2qky s PHE 461 N 1.55 3.19 0.99 3.44 0.40 -1.26 -1.88 117.98 124.41 2qky s PHE 461 Ca 0.11 1.46 -0.16 0.00 -0.60 0.00 0.00 56.93 57.73 2qky s PHE 461 Cb -0.18 -2.90 0.20 0.00 0.51 0.00 0.00 43.02 40.66 2qky s PHE 461 CO -0.23 -0.93 1.28 -1.54 0.70 0.00 0.00 175.22 174.49 2qky s SER 462 N -3.25 2.87 0.43 1.36 1.04 -0.28 -4.88 113.70 110.99 2qky s SER 462 Ca 0.60 0.36 0.19 0.00 0.48 0.00 0.00 55.95 57.58 2qky s SER 462 Cb -0.14 -0.47 1.12 0.00 0.10 0.00 0.00 66.02 66.63 2qky s SER 462 CO 0.42 -2.89 1.86 0.11 0.98 0.00 0.00 173.24 173.72 2qky h LYS 463 N -1.75 0.36 -0.03 4.02 1.79 -1.22 -1.81 116.57 117.93 2qky h LYS 463 Ca -0.45 -0.02 0.00 0.00 -2.18 0.00 0.00 60.65 58.00 2qky h LYS 463 Cb 1.25 -0.08 0.00 0.00 -1.58 0.00 0.00 32.23 31.82 2qky h LYS 463 CO 0.39 0.24 0.00 0.39 -1.08 0.00 0.00 179.45 179.39 2qky n GLU 464 N -4.49 0.30 -1.45 3.15 -0.58 -1.26 -4.97 120.64 111.33 2qky n GLU 464 Ca 0.19 -1.03 0.00 0.00 -0.42 0.00 0.00 57.16 55.90 2qky n GLU 464 Cb 0.72 -1.15 0.00 0.00 -0.57 0.00 0.00 31.44 30.44 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 0.40 0.00 0.16 0.62 0.00 -0.68 -4.89 120.51 116.11 2qky n ALA 465 Ca 0.05 0.00 0.04 0.00 0.00 0.00 0.00 53.44 53.53 2qky n ALA 465 Cb 0.20 -0.41 0.10 0.00 0.00 0.00 0.00 19.45 19.34 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 0.00 0.00 -4.97 0.00 3.64 -1.82 -3.42 116.57 110.00 2qky h LYS 466 Ca 0.00 0.00 -0.35 0.00 -1.27 0.00 0.00 60.65 59.03 2qky h LYS 466 Cb 0.63 0.00 -0.14 0.00 -0.41 0.00 0.00 32.23 32.30 2qky h LYS 466 CO 0.00 0.41 -0.65 0.71 -2.27 0.00 0.00 179.45 177.66 2qky s TYR 467 N -3.09 1.48 -0.00 1.91 2.02 -1.26 -1.31 117.35 117.10 2qky s TYR 467 Ca 0.04 -1.01 -0.29 0.00 -0.37 0.00 0.00 57.07 55.44 2qky s TYR 467 Cb 0.08 -0.87 0.08 0.00 -0.40 0.00 0.00 41.96 40.85 2qky s TYR 467 CO 0.72 -0.15 0.70 1.52 -1.57 0.00 0.00 175.55 176.77 2qky s TYR 468 N -3.55 -0.59 -0.15 2.71 1.13 -0.60 -1.13 117.35 115.17 2qky s TYR 468 Ca 0.30 0.83 0.01 0.00 -1.41 0.00 0.00 57.07 56.80 2qky s TYR 468 Cb 0.06 0.46 0.01 0.00 -1.10 0.00 0.00 41.96 41.39 2qky s TYR 468 CO 0.09 -0.65 -0.19 -1.14 -2.51 0.00 0.00 175.55 171.16 2qky s GLN 469 N -1.95 3.11 0.16 -3.49 0.74 -0.79 -0.45 119.66 117.00 2qky s GLN 469 Ca -0.06 -0.80 -0.09 0.00 0.05 0.00 0.00 55.36 54.45 2qky s GLN 469 Cb -0.00 -2.54 -0.06 0.00 1.10 0.00 0.00 33.01 31.50 2qky s GLN 469 CO 0.02 -0.02 0.48 -0.51 -0.55 0.00 0.00 175.29 174.71 2qky s LEU 470 N 0.87 4.26 -0.42 3.68 1.43 -1.18 -1.09 118.68 126.22 2qky s LEU 470 Ca -0.05 0.84 0.02 0.00 -1.03 0.00 0.00 54.13 53.91 2qky s LEU 470 Cb -0.15 -3.38 0.13 0.00 0.03 0.00 0.00 46.19 42.82 2qky s LEU 470 CO -0.02 0.04 0.22 -0.13 0.23 0.00 0.00 176.35 176.68 2qky s ARG 471 N -2.45 1.20 0.16 1.70 0.52 0.11 -2.88 118.95 117.31 2qky s ARG 471 Ca 0.41 -1.88 -0.32 0.00 -0.52 0.00 0.00 55.73 53.43 2qky s ARG 471 Cb -0.13 -2.28 -0.10 0.00 0.52 0.00 0.00 34.95 32.97 2qky s ARG 471 CO 0.21 -1.14 1.56 0.00 0.02 0.00 0.00 175.30 175.95 2qky n SER 473 N 4.03 1.55 0.00 0.00 7.64 0.20 -1.77 113.62 125.27 2qky n SER 473 Ca 0.14 -1.52 0.00 0.00 1.01 0.00 0.00 58.87 58.50 2qky n SER 473 Cb 0.39 -0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.58 2qky n SER 473 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2qky n GLY 474 N -0.22 -0.90 0.00 0.23 0.00 -1.26 -1.24 105.19 101.79 2qky n GLY 474 Ca 0.00 -1.57 0.13 0.00 0.00 0.00 0.00 46.02 44.58 2qky n GLY 474 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 2qky n PRO 475 N -0.90 0.50 -1.20 1.61 -0.04 -0.30 0.85 135.00 135.52 2qky n PRO 475 Ca 0.00 0.03 -0.12 0.00 -0.04 0.00 0.00 63.50 63.37 2qky n PRO 475 Cb 0.00 -1.50 0.07 0.00 -0.04 0.00 0.00 33.50 32.03 2qky n PRO 475 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 2qky n GLY 476 N 0.79 -0.27 3.78 0.55 0.00 0.10 -4.50 105.19 105.64 2qky n GLY 476 Ca 0.14 -1.84 -0.41 0.00 0.00 0.00 0.00 46.02 43.91 2qky n GLY 476 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2qky s LEU 477 N 0.00 4.32 0.24 0.99 1.43 -1.26 -4.60 118.68 119.81 2qky s LEU 477 Ca 0.32 3.03 -0.31 0.00 -1.03 0.00 0.00 54.13 56.14 2qky s LEU 477 Cb -0.01 -3.67 -0.13 0.00 0.03 0.00 0.00 46.19 42.40 2qky s LEU 477 CO 0.22 -0.86 1.39 -2.65 0.23 0.00 0.00 176.35 174.68 2qky n PRO 478 N 0.46 2.00 -4.52 1.29 -0.02 -1.26 -4.71 135.00 128.24 2qky n PRO 478 Ca 0.01 0.71 -0.22 0.00 -2.02 0.00 0.00 63.50 61.98 2qky n PRO 478 Cb 0.39 -2.35 -0.16 0.00 -0.02 0.00 0.00 33.50 31.36 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 0.05 1.81 -0.13 2.45 2.96 -0.73 -4.26 118.68 120.83 2qky s LEU 479 Ca 0.67 -0.24 0.02 0.00 -0.22 0.00 0.00 54.13 54.37 2qky s LEU 479 Cb -0.65 -0.68 0.01 0.00 0.50 0.00 0.00 46.19 45.37 2qky s LEU 479 CO 0.51 0.09 -0.21 -0.31 -1.32 0.00 0.00 176.35 175.10 2qky s TYR 480 N 0.18 2.55 0.51 5.38 1.51 -0.19 -0.23 117.35 127.06 2qky s TYR 480 Ca -0.04 -1.26 0.01 0.00 -1.01 0.00 0.00 57.07 54.77 2qky s TYR 480 Cb -0.10 -1.74 -0.01 0.00 -0.11 0.00 0.00 41.96 40.00 2qky s TYR 480 CO 0.01 -0.58 0.02 0.95 -1.11 0.00 0.00 175.55 174.84 2qky s THR 481 N 0.80 1.00 0.01 -0.71 -4.23 -1.14 -0.72 115.64 110.64 2qky s THR 481 Ca -0.08 -2.00 0.02 0.00 -1.18 0.00 0.00 61.69 58.45 2qky s THR 481 Cb -0.16 -2.10 -0.01 0.00 1.34 0.00 0.00 72.50 71.57 2qky s THR 481 CO -0.01 0.00 -0.06 -0.22 -0.54 0.00 0.00 174.62 173.79 2qky s LEU 482 N -3.86 2.06 0.06 4.79 2.96 0.05 -3.13 118.68 121.61 2qky s LEU 482 Ca 0.05 -0.19 -0.01 0.00 -0.22 0.00 0.00 54.13 53.77 2qky s LEU 482 Cb 0.01 -0.25 -0.04 0.00 0.50 0.00 0.00 46.19 46.41 2qky s LEU 482 CO 0.03 0.01 -0.02 -1.00 -1.32 0.00 0.00 176.35 174.05 2qky s HIS 483 N -0.38 0.60 -0.23 5.38 3.76 0.40 -0.77 115.29 124.05 2qky s HIS 483 Ca -0.00 -1.07 -0.09 0.00 -0.15 0.00 0.00 55.06 53.75 2qky s HIS 483 Cb -0.04 -0.42 -0.04 0.00 1.11 0.00 0.00 32.58 33.20 2qky s HIS 483 CO -0.00 -0.37 0.11 0.45 -0.85 0.00 0.00 174.74 174.08 2qky s SER 484 N -2.95 5.66 0.14 1.40 0.15 -1.15 -1.56 113.70 115.39 2qky s SER 484 Ca 0.09 -0.02 -0.13 0.00 0.70 0.00 0.00 55.95 56.60 2qky s SER 484 Cb 0.08 -2.01 -0.01 0.00 -1.71 0.00 0.00 66.02 62.37 2qky s SER 484 CO -0.08 0.04 1.56 0.28 1.20 0.00 0.00 173.24 176.24 2qky h SER 485 N 7.68 0.85 -0.59 5.45 0.02 -1.46 0.27 113.55 125.77 2qky h SER 485 Ca -0.37 -0.35 0.12 0.00 -0.84 0.00 0.00 61.79 60.35 2qky h SER 485 Cb 1.18 -0.23 -0.11 0.00 0.14 0.00 0.00 62.40 63.38 2qky h SER 485 CO 0.62 1.00 -0.10 1.62 -1.14 0.00 0.00 176.83 178.83 2qky h VAL 486 N 0.68 0.45 -0.00 2.27 3.04 -1.89 -3.27 116.25 117.53 2qky h VAL 486 Ca 0.12 -0.01 0.00 0.00 -1.01 0.00 0.00 66.70 65.80 2qky h VAL 486 Cb 0.61 0.41 0.00 0.00 -2.01 0.00 0.00 31.29 30.30 2qky h VAL 486 CO 0.04 0.01 -0.24 -0.46 -1.01 0.00 0.00 177.57 175.90 2qky n ASN 487 N -5.36 0.25 -3.58 3.17 2.04 -1.24 -5.02 115.26 105.51 2qky n ASN 487 Ca 0.07 -0.62 -0.25 0.00 -0.44 0.00 0.00 54.58 53.34 2qky n ASN 487 Cb 0.32 0.99 0.06 0.00 -2.53 0.00 0.00 39.78 38.62 2qky n ASN 487 CO 0.00 0.00 0.00 0.47 -0.44 0.00 0.00 177.26 177.29 2qky n ASP 488 N -1.11 -6.01 -4.62 0.53 10.43 0.95 -4.98 116.55 111.74 2qky n ASP 488 Ca 0.01 -0.55 -0.34 0.00 2.57 0.00 0.00 54.79 56.48 2qky n ASP 488 Cb 0.08 -4.76 -0.10 0.00 1.84 0.00 0.00 41.12 38.18 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 -6.29 3.57 -0.26 -1.24 -0.14 -1.23 -4.94 119.74 109.21 2qky s LYS 489 Ca 0.56 -0.41 -0.29 0.00 -1.36 0.00 0.00 55.97 54.48 2qky s LYS 489 Cb -0.26 -3.00 -0.02 0.00 -1.68 0.00 0.00 37.83 32.87 2qky s LYS 489 CO 0.70 0.42 1.69 0.20 -0.76 0.00 0.00 175.35 177.59 2qky s GLY 490 N -0.08 1.06 0.01 -3.33 0.00 -1.26 -2.94 107.32 100.78 2qky s GLY 490 Ca 0.04 0.40 -0.06 0.00 0.00 0.00 0.00 44.72 45.10 2qky s GLY 490 CO 0.02 3.11 1.09 1.41 0.00 0.00 0.00 173.10 178.72 2qky h LEU 491 N 12.43 -0.18 -8.12 0.66 3.38 -1.29 -3.49 115.31 118.70 2qky h LEU 491 Ca -0.34 0.01 -0.08 0.00 0.09 0.00 0.00 57.88 57.55 2qky h LEU 491 Cb 1.16 0.05 -0.01 0.00 0.09 0.00 0.00 40.66 41.95 2qky h LEU 491 CO 1.01 -0.13 0.18 0.00 0.09 0.00 0.00 178.44 179.59 2qky s ARG 492 N -3.46 2.20 -0.25 1.13 1.70 -1.19 -5.01 118.95 114.09 2qky s ARG 492 Ca -0.03 -1.54 -0.09 0.00 -0.47 0.00 0.00 55.73 53.59 2qky s ARG 492 Cb 0.00 0.59 -0.04 0.00 -0.57 0.00 0.00 34.95 34.93 2qky s ARG 492 CO 0.09 -1.01 0.12 0.08 -1.08 0.00 0.00 175.30 173.50 2qky s VAL 493 N -2.36 4.87 -0.09 4.99 1.01 -1.26 -0.77 120.40 126.78 2qky s VAL 493 Ca 0.19 0.01 -0.12 0.00 0.00 0.00 0.00 61.98 62.06 2qky s VAL 493 Cb -0.04 -3.28 -0.28 0.00 0.00 0.00 0.00 36.38 32.78 2qky s VAL 493 CO 0.14 0.33 0.53 -0.07 0.00 0.00 0.00 175.10 176.03 2qky h LEU 494 N 7.89 0.46 -6.45 3.92 3.38 -1.22 -3.47 115.31 119.82 2qky h LEU 494 Ca -0.37 -0.89 0.01 0.00 0.09 0.00 0.00 57.88 56.71 2qky h LEU 494 Cb 1.18 -0.15 -0.24 0.00 0.09 0.00 0.00 40.66 41.54 2qky h LEU 494 CO 0.60 1.74 -0.31 -0.70 0.09 0.00 0.00 178.44 179.86 2qky s GLU 495 N -2.53 0.49 -0.09 1.13 2.56 -1.05 -5.00 118.70 114.20 2qky s GLU 495 Ca -0.20 0.99 0.14 0.00 0.00 0.00 0.00 54.97 55.90 2qky s GLU 495 Cb 0.05 0.34 0.46 0.00 2.00 0.00 0.00 34.13 36.98 2qky s GLU 495 CO 0.79 -0.50 1.38 -0.40 -0.56 0.00 0.00 175.26 175.97 2qky n ASP 496 N 5.41 3.59 -1.57 -1.70 5.75 -1.26 -1.02 116.55 125.75 2qky n ASP 496 Ca -0.05 -2.49 -0.06 0.00 -0.01 0.00 0.00 54.79 52.19 2qky n ASP 496 Cb 0.50 -0.41 -0.02 0.00 -1.03 0.00 0.00 41.12 40.16 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 0.17 -1.76 -0.29 -1.12 3.02 -1.26 -4.79 115.26 109.23 2qky n ASN 497 Ca 0.18 0.21 0.07 0.00 -0.03 0.00 0.00 54.58 55.01 2qky n ASN 497 Cb 0.69 -1.80 0.22 0.00 -0.61 0.00 0.00 39.78 38.27 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 0.00 0.47 -0.85 6.41 4.64 -1.93 -1.40 113.55 120.88 2qky h SER 498 Ca -0.12 0.10 0.09 0.00 -0.47 0.00 0.00 61.79 61.38 2qky h SER 498 Cb 0.60 0.03 -0.07 0.00 -0.31 0.00 0.00 62.40 62.65 2qky h SER 498 CO 0.17 0.19 0.50 0.00 -0.87 0.00 0.00 176.83 176.82 2qky h ALA 499 N 1.56 1.20 -0.13 5.18 0.00 -2.00 -1.14 119.26 123.94 2qky h ALA 499 Ca 0.46 0.02 -0.18 0.00 0.00 0.00 0.00 54.91 55.20 2qky h ALA 499 Cb 0.67 -0.17 -0.00 0.00 0.00 0.00 0.00 17.79 18.28 2qky h ALA 499 CO -0.38 0.17 -0.68 1.25 0.00 0.00 0.00 179.25 179.61 2qky h LEU 500 N 0.87 0.61 -2.08 0.00 5.85 -1.63 -3.09 115.31 115.83 2qky h LEU 500 Ca 0.40 -0.37 -0.01 0.00 0.84 0.00 0.00 57.88 58.73 2qky h LEU 500 Cb 0.31 -0.18 -0.00 0.00 0.37 0.00 0.00 40.66 41.16 2qky h LEU 500 CO -0.22 1.12 -0.07 -0.78 -0.34 0.00 0.00 178.44 178.14 2qky h ASP 501 N 0.37 0.00 0.07 1.25 3.58 -0.23 -2.03 116.42 119.44 2qky h ASP 501 Ca -0.02 0.00 -0.00 0.00 0.42 0.00 0.00 57.03 57.42 2qky h ASP 501 Cb 1.26 0.00 0.00 0.00 1.72 0.00 0.00 39.33 42.31 2qky h ASP 501 CO 0.12 0.07 -0.03 0.50 -2.88 0.00 0.00 179.24 177.02 2qky h LYS 502 N 0.00 -0.09 -0.76 0.28 3.64 -1.19 -3.23 116.57 115.22 2qky h LYS 502 Ca -0.00 0.01 0.12 0.00 -1.27 0.00 0.00 60.65 59.50 2qky h LYS 502 Cb 0.15 0.02 -0.08 0.00 -0.41 0.00 0.00 32.23 31.91 2qky h LYS 502 CO 0.01 0.49 0.37 0.52 -2.27 0.00 0.00 179.45 178.57 2qky h MET 503 N -0.86 0.56 0.00 1.90 2.86 -1.45 -1.80 114.93 116.14 2qky h MET 503 Ca -0.01 -0.03 0.00 0.00 -2.06 0.00 0.00 59.70 57.60 2qky h MET 503 Cb 0.62 -0.13 0.00 0.00 0.06 0.00 0.00 31.60 32.15 2qky h MET 503 CO 0.02 0.37 0.00 -0.07 1.06 0.00 0.00 176.91 178.28 2qky h LEU 504 N 0.58 0.00 -1.43 1.22 3.38 -1.48 -1.45 115.31 116.12 2qky h LEU 504 Ca 0.40 0.00 -0.06 0.00 0.09 0.00 0.00 57.88 58.31 2qky h LEU 504 Cb 0.51 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.25 2qky h LEU 504 CO -0.33 0.00 -0.29 1.56 0.09 0.00 0.00 178.44 179.48 2qky h GLN 505 N 0.00 0.00 -2.02 1.13 1.08 -1.34 -2.88 115.11 111.09 2qky h GLN 505 Ca 0.00 0.00 -0.76 0.00 -1.45 0.00 0.00 58.65 56.44 2qky h GLN 505 Cb 0.29 0.00 -0.27 0.00 -0.05 0.00 0.00 27.48 27.46 2qky h GLN 505 CO 0.00 0.29 1.05 -1.71 -0.95 0.00 0.00 178.83 177.50 2qky n ASN 506 N -4.11 7.49 -3.64 1.46 4.05 -0.55 -4.90 115.26 115.06 2qky n ASN 506 Ca -0.02 -3.80 -0.06 0.00 0.45 0.00 0.00 54.58 51.15 2qky n ASN 506 Cb 0.34 -1.08 -0.07 0.00 1.23 0.00 0.00 39.78 40.20 2qky n ASN 506 CO 0.00 0.00 0.00 0.54 -3.05 0.00 0.00 177.26 174.75 2qky s VAL 507 N -4.91 0.00 -0.87 3.44 0.11 -1.09 -4.50 120.40 112.58 2qky s VAL 507 Ca 0.51 0.00 -0.25 0.00 -2.93 0.00 0.00 61.98 59.32 2qky s VAL 507 Cb 0.42 -1.00 -0.01 0.00 -1.53 0.00 0.00 36.38 34.27 2qky s VAL 507 CO -0.39 0.00 1.71 -1.10 -3.33 0.00 0.00 175.10 171.99 2qky s GLN 508 N 0.23 2.95 0.19 1.54 -0.21 -0.45 -4.95 119.66 118.96 2qky s GLN 508 Ca 0.04 -0.39 -0.15 0.00 0.02 0.00 0.00 55.36 54.88 2qky s GLN 508 Cb -0.05 -4.94 -0.07 0.00 1.00 0.00 0.00 33.01 28.94 2qky s GLN 508 CO -0.11 -2.79 0.61 -1.64 -2.12 0.00 0.00 175.29 169.25 2qky s MET 509 N 6.27 4.04 0.43 2.91 -1.94 -1.26 -3.87 119.30 125.88 2qky s MET 509 Ca 0.59 0.59 -0.09 0.00 -1.71 0.00 0.00 55.69 55.06 2qky s MET 509 Cb -0.06 -2.85 -0.06 0.00 2.01 0.00 0.00 34.83 33.88 2qky s MET 509 CO 0.02 0.42 0.78 -1.25 -0.01 0.00 0.00 175.02 174.98 2qky s PRO 510 N -2.12 3.71 0.37 2.03 0.04 -1.26 -4.33 135.00 133.43 2qky s PRO 510 Ca 0.41 0.41 0.07 0.00 0.04 0.00 0.00 61.00 61.93 2qky s PRO 510 Cb -0.15 -2.37 -0.00 0.00 0.04 0.00 0.00 34.50 32.02 2qky s PRO 510 CO 0.20 -0.10 0.50 -1.54 0.04 0.00 0.00 177.00 176.09 2qky s SER 511 N -3.46 5.80 -0.11 6.66 1.04 0.12 -4.83 113.70 118.91 2qky s SER 511 Ca 0.50 -0.31 0.01 0.00 0.48 0.00 0.00 55.95 56.64 2qky s SER 511 Cb -0.10 -0.98 0.02 0.00 0.10 0.00 0.00 66.02 65.06 2qky s SER 511 CO 0.36 -0.57 -0.14 -0.75 0.98 0.00 0.00 173.24 173.12 2qky s LYS 512 N -4.24 2.12 -0.12 4.02 2.20 -1.26 0.11 119.74 122.58 2qky s LYS 512 Ca 0.49 -0.52 -0.01 0.00 -0.36 0.00 0.00 55.97 55.57 2qky s LYS 512 Cb -0.09 -1.85 -0.02 0.00 -1.51 0.00 0.00 37.83 34.36 2qky s LYS 512 CO 0.32 -0.09 -0.09 0.21 -0.36 0.00 0.00 175.35 175.33 2qky s LYS 513 N 1.08 3.26 -0.61 4.03 2.20 -0.76 -4.96 119.74 123.98 2qky s LYS 513 Ca -0.05 -0.60 0.05 0.00 -0.36 0.00 0.00 55.97 55.01 2qky s LYS 513 Cb -0.15 -2.69 0.18 0.00 -1.51 0.00 0.00 37.83 33.66 2qky s LYS 513 CO -0.03 0.36 0.46 -0.11 -0.36 0.00 0.00 175.35 175.68 2qky n LEU 514 N 3.12 1.96 0.00 5.43 7.94 -1.26 -1.21 117.00 132.99 2qky n LEU 514 Ca -0.18 -4.97 0.00 0.00 -1.11 0.00 0.00 56.01 49.76 2qky n LEU 514 Cb 0.53 -0.34 0.00 0.00 0.53 0.00 0.00 43.42 44.14 2qky n LEU 514 CO 0.30 1.81 0.00 -0.67 -1.11 0.00 0.00 177.39 177.72 2qky n ASP 515 N 2.15 0.92 -3.50 1.96 4.64 -1.17 -4.91 116.55 116.64 2qky n ASP 515 Ca 0.23 0.00 -0.11 0.00 -1.38 0.00 0.00 54.79 53.53 2qky n ASP 515 Cb 0.40 0.00 -0.03 0.00 -1.04 0.00 0.00 41.12 40.44 2qky n ASP 515 CO 0.00 0.00 0.00 0.72 -0.82 0.00 0.00 177.20 177.10 2qky s PHE 516 N 1.62 0.55 0.45 -0.67 -0.71 -1.26 -1.30 117.98 116.66 2qky s PHE 516 Ca 0.00 -0.93 0.03 0.00 -1.04 0.00 0.00 56.93 54.99 2qky s PHE 516 Cb 0.00 0.24 -0.02 0.00 -1.21 0.00 0.00 43.02 42.04 2qky s PHE 516 CO 0.00 -1.18 0.11 0.96 -1.34 0.00 0.00 175.22 173.77 2qky s ILE 517 N -3.31 0.66 -0.06 -4.49 -4.36 -1.06 -4.97 121.20 103.62 2qky s ILE 517 Ca 0.24 -2.00 0.04 0.00 -0.26 0.00 0.00 60.65 58.66 2qky s ILE 517 Cb -0.02 -2.24 0.00 0.00 1.25 0.00 0.00 42.46 41.46 2qky s ILE 517 CO 0.14 0.00 -0.17 -0.63 0.24 0.00 0.00 174.94 174.51 2qky s ILE 518 N -3.11 1.49 0.05 8.37 -1.09 -1.26 -2.15 121.20 123.50 2qky s ILE 518 Ca 0.17 -0.72 0.02 0.00 -2.23 0.00 0.00 60.65 57.89 2qky s ILE 518 Cb 0.01 -1.31 -0.03 0.00 -1.58 0.00 0.00 42.46 39.56 2qky s ILE 518 CO 0.11 0.43 -0.06 -0.76 -1.23 0.00 0.00 174.94 173.43 2qky s LEU 519 N 0.31 2.31 -0.41 2.97 1.43 0.27 -4.85 118.68 120.70 2qky s LEU 519 Ca -0.11 -0.64 -0.04 0.00 -1.03 0.00 0.00 54.13 52.32 2qky s LEU 519 Cb -0.14 -0.08 0.04 0.00 0.03 0.00 0.00 46.19 46.03 2qky s LEU 519 CO 0.04 -0.29 0.09 0.59 0.23 0.00 0.00 176.35 177.02 2qky n ASN 520 N 1.17 -0.21 0.00 2.29 3.02 -1.26 0.47 115.26 120.75 2qky n ASN 520 Ca -0.21 -0.29 0.00 0.00 -0.03 0.00 0.00 54.58 54.05 2qky n ASN 520 Cb 0.56 -0.37 0.00 0.00 -0.61 0.00 0.00 39.78 39.36 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 -1.48 0.00 -3.58 3.52 -0.58 -1.26 -4.98 120.64 112.28 2qky n GLU 521 Ca -0.01 0.00 -0.37 0.00 -0.42 0.00 0.00 57.16 56.36 2qky n GLU 521 Cb 0.12 -1.44 -0.06 0.00 -0.57 0.00 0.00 31.44 29.48 2qky n GLU 521 CO 0.00 0.00 0.00 -0.08 -0.48 0.00 0.00 177.13 176.57 2qky s THR 522 N -1.94 5.23 -0.13 2.62 -1.32 1.71 -5.08 115.64 116.73 2qky s THR 522 Ca 0.00 0.62 -0.13 0.00 -1.21 0.00 0.00 61.69 60.97 2qky s THR 522 Cb 0.00 -3.63 -0.05 0.00 -1.51 0.00 0.00 72.50 67.31 2qky s THR 522 CO 0.00 0.51 0.30 -1.59 -2.21 0.00 0.00 174.62 171.63 2qky s LYS 523 N -0.45 4.11 -0.21 7.08 -2.85 -1.26 0.94 119.74 127.10 2qky s LYS 523 Ca 0.20 0.13 -0.00 0.00 -1.00 0.00 0.00 55.97 55.29 2qky s LYS 523 Cb -0.14 -3.37 0.02 0.00 -2.06 0.00 0.00 37.83 32.28 2qky s LYS 523 CO 0.08 0.37 -0.13 -0.06 0.10 0.00 0.00 175.35 175.71 2qky s PHE 524 N 0.05 2.90 0.47 1.78 0.40 -0.91 -4.97 117.98 117.70 2qky s PHE 524 Ca 0.18 -1.51 -0.22 0.00 -0.60 0.00 0.00 56.93 54.78 2qky s PHE 524 Cb -0.13 -1.99 -0.08 0.00 0.51 0.00 0.00 43.02 41.33 2qky s PHE 524 CO 0.05 -0.74 1.08 -1.58 0.70 0.00 0.00 175.22 174.73 2qky s TRP 525 N 1.33 2.99 0.22 0.36 0.52 -1.26 -2.55 118.94 120.55 2qky s TRP 525 Ca 0.03 1.58 -0.02 0.00 0.02 0.00 0.00 56.10 57.72 2qky s TRP 525 Cb -0.14 -3.17 -0.03 0.00 -1.15 0.00 0.00 33.47 28.97 2qky s TRP 525 CO -0.09 -1.02 0.19 1.52 0.02 0.00 0.00 176.95 177.58 2qky s TYR 526 N -1.79 1.09 -0.12 -1.98 -0.85 -0.42 -2.44 117.35 110.84 2qky s TYR 526 Ca 0.65 -1.31 -0.10 0.00 -0.52 0.00 0.00 57.07 55.79 2qky s TYR 526 Cb -0.21 -0.46 0.04 0.00 0.38 0.00 0.00 41.96 41.70 2qky s TYR 526 CO 0.26 -0.71 0.32 1.14 -1.52 0.00 0.00 175.55 175.03 2qky s GLN 527 N -4.07 0.36 0.09 -3.49 -2.07 -1.02 -3.06 119.66 106.40 2qky s GLN 527 Ca 0.37 0.49 0.08 0.00 -1.82 0.00 0.00 55.36 54.48 2qky s GLN 527 Cb 0.06 0.13 -0.03 0.00 -1.09 0.00 0.00 33.01 32.07 2qky s GLN 527 CO 0.13 -0.07 -0.21 -1.64 -1.32 0.00 0.00 175.29 172.18 2qky s MET 528 N 0.41 1.21 -0.22 9.60 -1.94 -0.35 -1.46 119.30 126.55 2qky s MET 528 Ca -0.02 -1.11 -0.07 0.00 -1.71 0.00 0.00 55.69 52.77 2qky s MET 528 Cb -0.04 -1.45 -0.03 0.00 2.01 0.00 0.00 34.83 35.32 2qky s MET 528 CO -0.02 0.35 0.06 0.42 -0.01 0.00 0.00 175.02 175.82 2qky s ILE 529 N -1.06 4.44 -0.10 2.53 -1.09 0.18 -1.82 121.20 124.27 2qky s ILE 529 Ca 0.07 -0.14 -0.00 0.00 -2.23 0.00 0.00 60.65 58.35 2qky s ILE 529 Cb -0.10 -3.04 -0.03 0.00 -1.58 0.00 0.00 42.46 37.72 2qky s ILE 529 CO 0.04 0.38 -0.08 -0.76 -1.23 0.00 0.00 174.94 173.29 2qky s LEU 530 N 1.15 3.05 0.82 2.97 1.43 0.31 -2.16 118.68 126.25 2qky s LEU 530 Ca 0.04 -0.13 -0.12 0.00 -1.03 0.00 0.00 54.13 52.89 2qky s LEU 530 Cb -0.14 -1.68 0.09 0.00 0.03 0.00 0.00 46.19 44.49 2qky s LEU 530 CO 0.03 0.28 1.17 -2.84 0.23 0.00 0.00 176.35 175.22 2qky s PRO 531 N -0.30 1.59 0.25 1.29 0.02 -1.26 0.10 135.00 136.69 2qky s PRO 531 Ca 0.04 1.62 -0.30 0.00 0.02 0.00 0.00 61.00 62.38 2qky s PRO 531 Cb -0.13 -1.78 -0.10 0.00 0.02 0.00 0.00 34.50 32.51 2qky s PRO 531 CO 0.02 -2.22 1.44 -2.14 -0.33 0.00 0.00 177.00 173.77 2qky s PRO 532 N -4.34 4.27 -0.78 5.54 0.02 -1.26 -2.59 135.00 135.86 2qky s PRO 532 Ca 0.70 2.30 -0.04 0.00 0.02 0.00 0.00 61.00 63.98 2qky s PRO 532 Cb -0.25 -3.11 0.00 0.00 0.02 0.00 0.00 34.50 31.16 2qky s PRO 532 CO 0.52 -0.42 0.52 0.72 -0.33 0.00 0.00 177.00 178.02 2qky n HIS 533 N 2.28 -1.37 -1.67 6.54 8.25 -1.26 -4.92 115.22 123.07 2qky n HIS 533 Ca 0.07 0.45 -0.47 0.00 -0.26 0.00 0.00 57.72 57.51 2qky n HIS 533 Cb 0.40 -3.07 -0.04 0.00 1.12 0.00 0.00 29.99 28.40 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 -3.88 2.28 -3.95 4.41 7.35 -1.07 -4.95 117.46 117.65 2qky n PHE 534 Ca -0.02 0.20 -0.30 0.00 -0.76 0.00 0.00 57.45 56.57 2qky n PHE 534 Cb 0.55 -2.57 -0.14 0.00 0.35 0.00 0.00 39.48 37.66 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 1.74 4.34 0.00 -2.13 3.68 -1.26 -4.95 116.67 118.08 2qky s ASP 535 Ca 0.82 -2.90 0.00 0.00 2.13 0.00 0.00 52.55 52.61 2qky s ASP 535 Cb -0.68 -1.61 0.00 0.00 -1.45 0.00 0.00 42.92 39.18 2qky s ASP 535 CO 0.42 -0.25 0.21 2.29 0.13 0.00 0.00 175.17 177.97 2qky n LYS 536 N 3.26 0.00 0.00 4.34 2.85 -1.26 0.24 118.16 127.59 2qky n LYS 536 Ca 0.05 0.00 0.11 0.00 -1.05 0.00 0.00 58.31 57.42 2qky n LYS 536 Cb 0.33 -1.50 0.01 0.00 -0.65 0.00 0.00 35.03 33.22 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 -0.71 1.00 -4.93 -5.58 3.41 -1.26 -4.58 113.62 100.96 2qky n SER 537 Ca 0.00 -0.87 -0.22 0.00 -0.26 0.00 0.00 58.87 57.52 2qky n SER 537 Cb 0.00 0.71 -0.03 0.00 -0.26 0.00 0.00 64.21 64.63 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 -2.91 3.31 -0.24 4.33 1.02 0.65 -5.00 119.74 120.89 2qky s LYS 538 Ca 0.11 -0.80 -0.09 0.00 0.02 0.00 0.00 55.97 55.21 2qky s LYS 538 Cb 0.17 -2.82 -0.04 0.00 -0.52 0.00 0.00 37.83 34.61 2qky s LYS 538 CO 0.77 0.44 0.11 0.15 -0.92 0.00 0.00 175.35 175.91 2qky s LYS 539 N -3.81 3.86 0.16 1.68 -0.14 -1.26 -3.92 119.74 116.32 2qky s LYS 539 Ca 0.34 -0.38 0.07 0.00 -1.36 0.00 0.00 55.97 54.64 2qky s LYS 539 Cb -0.09 -3.42 -0.04 0.00 -1.68 0.00 0.00 37.83 32.60 2qky s LYS 539 CO 0.28 -0.05 0.01 0.71 -0.76 0.00 0.00 175.35 175.54 2qky s TYR 540 N 1.30 2.87 0.46 3.18 2.02 0.23 -4.67 117.35 122.74 2qky s TYR 540 Ca 0.06 -0.12 -0.19 0.00 -0.37 0.00 0.00 57.07 56.45 2qky s TYR 540 Cb -0.15 -1.40 -0.10 0.00 -0.40 0.00 0.00 41.96 39.92 2qky s TYR 540 CO 0.05 0.51 0.96 -1.25 -1.57 0.00 0.00 175.55 174.25 2qky s PRO 541 N -2.88 4.12 -0.07 -1.71 0.04 -1.26 0.97 135.00 134.20 2qky s PRO 541 Ca 0.27 1.05 0.02 0.00 0.04 0.00 0.00 61.00 62.38 2qky s PRO 541 Cb -0.10 -2.17 0.01 0.00 0.04 0.00 0.00 34.50 32.29 2qky s PRO 541 CO 0.19 -0.12 -0.13 -1.17 0.04 0.00 0.00 177.00 175.81 2qky s LEU 542 N -3.52 1.64 -0.32 -3.56 0.20 -0.39 -0.50 118.68 112.22 2qky s LEU 542 Ca 0.61 -0.32 -0.06 0.00 0.69 0.00 0.00 54.13 55.05 2qky s LEU 542 Cb -0.09 -0.86 0.03 0.00 -0.43 0.00 0.00 46.19 44.83 2qky s LEU 542 CO 0.20 0.03 0.09 -0.22 -0.29 0.00 0.00 176.35 176.16 2qky s LEU 543 N 0.72 4.15 -0.29 -0.68 2.96 0.78 -1.27 118.68 125.05 2qky s LEU 543 Ca -0.13 -1.01 -0.29 0.00 -0.22 0.00 0.00 54.13 52.48 2qky s LEU 543 Cb -0.16 -1.87 0.01 0.00 0.50 0.00 0.00 46.19 44.68 2qky s LEU 543 CO 0.03 -0.28 1.06 -0.22 -1.32 0.00 0.00 176.35 175.62 2qky s LEU 544 N 1.43 3.98 -0.17 -0.68 2.96 0.23 -1.82 118.68 124.61 2qky s LEU 544 Ca -0.00 1.15 -0.17 0.00 -0.22 0.00 0.00 54.13 54.89 2qky s LEU 544 Cb -0.19 -3.54 -0.04 0.00 0.50 0.00 0.00 46.19 42.92 2qky s LEU 544 CO 0.02 -0.81 0.44 -0.62 -1.32 0.00 0.00 176.35 174.06 2qky s ASP 545 N 1.51 6.54 0.03 3.68 -1.08 0.54 -2.55 116.67 125.34 2qky s ASP 545 Ca 0.45 0.64 0.00 0.00 -0.52 0.00 0.00 52.55 53.12 2qky s ASP 545 Cb -0.13 -2.26 -0.02 0.00 -1.46 0.00 0.00 42.92 39.05 2qky s ASP 545 CO 0.12 -0.06 -0.04 0.54 0.52 0.00 0.00 175.17 176.25 2qky s VAL 546 N 1.11 0.19 0.08 1.11 0.11 -1.23 -3.94 120.40 117.83 2qky s VAL 546 Ca 0.22 -1.10 0.00 0.00 -2.93 0.00 0.00 61.98 58.17 2qky s VAL 546 Cb -0.15 -0.54 0.00 0.00 -1.53 0.00 0.00 36.38 34.16 2qky s VAL 546 CO 0.09 -0.58 0.00 0.00 -3.33 0.00 0.00 175.10 171.28 2qky n TYR 547 N 1.30 -0.60 -0.27 1.54 4.19 -1.26 -4.38 117.16 117.68 2qky n TYR 547 Ca -0.22 0.11 0.00 0.00 3.31 0.00 0.00 57.90 61.10 2qky n TYR 547 Cb 0.56 0.36 0.00 0.00 0.49 0.00 0.00 39.34 40.75 2qky n TYR 547 CO 0.00 0.00 0.00 0.00 0.91 0.00 0.00 176.86 177.77 2qky n ALA 548 N -2.94 0.00 -1.39 2.98 0.00 -1.26 -3.26 120.51 114.63 2qky n ALA 548 Ca 0.00 0.00 -0.36 0.00 0.00 0.00 0.00 53.44 53.08 2qky n ALA 548 Cb 0.11 -0.69 0.07 0.00 0.00 0.00 0.00 19.45 18.94 2qky n ALA 548 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2qky n GLY 549 N -1.60 -0.85 3.67 0.00 0.00 -1.26 -4.66 105.19 100.49 2qky n GLY 549 Ca 0.00 -0.30 -0.45 0.00 0.00 0.00 0.00 46.02 45.28 2qky n GLY 549 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 2qky n PRO 550 N -1.18 2.58 -1.99 1.61 -0.04 -1.26 -1.19 135.00 133.52 2qky n PRO 550 Ca 0.12 0.94 -0.00 0.00 -0.04 0.00 0.00 63.50 64.52 2qky n PRO 550 Cb 0.49 -2.84 -0.00 0.00 -0.04 0.00 0.00 33.50 31.11 2qky n PRO 550 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 2qky s SER 552 N -2.99 6.44 -0.33 0.00 1.04 -0.34 -4.28 113.70 113.25 2qky s SER 552 Ca 0.00 0.47 -0.00 0.00 0.48 0.00 0.00 55.95 56.89 2qky s SER 552 Cb 0.00 -2.05 0.11 0.00 0.10 0.00 0.00 66.02 64.18 2qky s SER 552 CO 0.00 0.20 0.12 -1.58 0.98 0.00 0.00 173.24 172.95 2qky s GLN 553 N -2.13 0.81 0.06 4.02 0.74 -1.26 -2.84 119.66 119.05 2qky s GLN 553 Ca 0.32 -1.23 0.22 0.00 0.05 0.00 0.00 55.36 54.72 2qky s GLN 553 Cb -0.13 -2.06 -0.08 0.00 1.10 0.00 0.00 33.01 31.85 2qky s GLN 553 CO 0.21 -1.01 0.88 1.63 -0.55 0.00 0.00 175.29 176.45 2qky n LYS 554 N 4.64 0.43 -3.46 1.67 4.76 -1.26 -4.82 118.16 120.11 2qky n LYS 554 Ca -0.00 -0.03 -0.39 0.00 -2.87 0.00 0.00 58.31 55.02 2qky n LYS 554 Cb 0.41 -1.62 -0.10 0.00 -1.84 0.00 0.00 35.03 31.88 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 -3.30 3.54 0.27 7.82 0.00 -1.26 -4.89 121.76 123.95 2qky s ALA 555 Ca 0.00 -0.97 -0.19 0.00 0.00 0.00 0.00 51.96 50.80 2qky s ALA 555 Cb 0.13 -2.65 0.07 0.00 0.00 0.00 0.00 23.12 20.68 2qky s ALA 555 CO 0.83 -0.68 0.94 0.16 0.00 0.00 0.00 175.76 177.01 2qky s ASP 556 N 1.69 0.03 -0.39 0.00 1.47 -1.26 -4.42 116.67 113.79 2qky s ASP 556 Ca 0.12 -0.91 0.07 0.00 1.18 0.00 0.00 52.55 53.00 2qky s ASP 556 Cb -0.16 0.65 0.71 0.00 -0.34 0.00 0.00 42.92 43.78 2qky s ASP 556 CO 0.11 -1.30 1.86 0.35 0.68 0.00 0.00 175.17 176.86 2qky n THR 557 N -0.65 3.08 -3.16 2.11 -2.24 -0.84 -4.97 114.28 107.60 2qky n THR 557 Ca -0.05 -1.81 -0.39 0.00 -2.27 0.00 0.00 64.05 59.53 2qky n THR 557 Cb 0.60 -0.41 -0.05 0.00 -2.10 0.00 0.00 70.33 68.36 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 -3.16 4.95 -0.02 2.28 1.01 -1.26 -1.15 120.40 123.05 2qky s VAL 558 Ca 0.56 1.29 -0.24 0.00 0.00 0.00 0.00 61.98 63.60 2qky s VAL 558 Cb 0.46 -3.96 -0.04 0.00 0.00 0.00 0.00 36.38 32.84 2qky s VAL 558 CO 0.12 0.37 0.72 0.12 0.00 0.00 0.00 175.10 176.43 2qky s PHE 559 N 0.12 3.65 0.03 5.22 5.36 -0.37 -4.92 117.98 127.06 2qky s PHE 559 Ca 0.33 1.34 -0.05 0.00 -0.96 0.00 0.00 56.93 57.59 2qky s PHE 559 Cb -0.18 -2.80 -0.01 0.00 -0.34 0.00 0.00 43.02 39.69 2qky s PHE 559 CO 0.17 0.18 0.07 1.03 -1.46 0.00 0.00 175.22 175.21 2qky s ARG 560 N 0.40 0.51 -0.44 10.12 0.52 -1.26 -4.89 118.95 123.91 2qky s ARG 560 Ca 0.38 -0.67 0.03 0.00 -0.52 0.00 0.00 55.73 54.95 2qky s ARG 560 Cb -0.19 0.20 0.12 0.00 0.52 0.00 0.00 34.95 35.60 2qky s ARG 560 CO 0.20 -0.12 0.19 -0.51 0.02 0.00 0.00 175.30 175.08 2qky s LEU 561 N -1.87 3.95 0.00 2.53 1.43 -1.26 -4.90 118.68 118.55 2qky s LEU 561 Ca -0.09 -2.61 0.02 0.00 -1.03 0.00 0.00 54.13 50.42 2qky s LEU 561 Cb -0.04 -1.46 -0.01 0.00 0.03 0.00 0.00 46.19 44.72 2qky s LEU 561 CO -0.03 -0.29 0.08 -0.46 0.23 0.00 0.00 176.35 175.88 2qky n ASN 562 N 3.62 0.30 -0.33 2.29 0.23 -1.26 -4.99 115.26 115.12 2qky n ASN 562 Ca 0.05 -1.80 0.22 0.00 -0.53 0.00 0.00 54.58 52.53 2qky n ASN 562 Cb 0.36 0.51 0.49 0.00 -2.08 0.00 0.00 39.78 39.06 2qky n ASN 562 CO 0.00 0.00 0.00 -0.25 -0.93 0.00 0.00 177.26 176.08 2qky h TRP 563 N 1.33 0.72 -0.82 -2.53 7.01 -1.98 0.41 115.95 120.09 2qky h TRP 563 Ca -0.10 0.03 -0.03 0.00 2.11 0.00 0.00 58.89 60.90 2qky h TRP 563 Cb 0.44 -0.21 -0.04 0.00 -2.10 0.00 0.00 29.16 27.25 2qky h TRP 563 CO 0.00 0.05 0.40 0.00 -2.79 0.00 0.00 178.44 176.10 2qky h ALA 564 N 1.64 1.05 -0.52 2.65 0.00 -1.98 -0.22 119.26 121.89 2qky h ALA 564 Ca 0.62 -0.16 0.09 0.00 0.00 0.00 0.00 54.91 55.46 2qky h ALA 564 Cb 1.50 -0.32 -0.10 0.00 0.00 0.00 0.00 17.79 18.86 2qky h ALA 564 CO -0.34 0.61 -0.37 1.15 0.00 0.00 0.00 179.25 180.31 2qky h THR 565 N 1.16 0.16 -0.13 0.00 2.02 -0.53 0.41 112.91 115.99 2qky h THR 565 Ca 0.28 0.00 -0.01 0.00 0.77 0.00 0.00 66.41 67.45 2qky h THR 565 Cb 0.11 0.16 -0.01 0.00 -1.74 0.00 0.00 68.15 66.67 2qky h THR 565 CO -0.04 0.00 0.04 0.22 0.37 0.00 0.00 175.52 176.12 2qky h TYR 566 N -0.22 0.21 -0.89 3.16 3.20 -1.43 0.40 116.97 121.39 2qky h TYR 566 Ca 0.19 -0.02 0.11 0.00 3.14 0.00 0.00 58.73 62.15 2qky h TYR 566 Cb 0.56 -0.06 -0.07 0.00 1.54 0.00 0.00 36.73 38.70 2qky h TYR 566 CO -0.63 0.33 0.58 -0.07 -1.64 0.00 0.00 178.16 176.72 2qky h LEU 567 N 0.04 0.76 0.13 2.82 3.38 0.51 0.39 115.31 123.33 2qky h LEU 567 Ca 0.04 0.03 -0.27 0.00 0.09 0.00 0.00 57.88 57.78 2qky h LEU 567 Cb 0.21 -0.13 0.00 0.00 0.09 0.00 0.00 40.66 40.84 2qky h LEU 567 CO -0.00 0.43 -1.32 0.00 0.09 0.00 0.00 178.44 177.63 2qky h ALA 568 N 1.57 0.12 0.00 1.53 0.00 -0.09 -2.21 119.26 120.18 2qky h ALA 568 Ca 0.43 -1.02 0.00 0.00 0.00 0.00 0.00 54.91 54.32 2qky h ALA 568 Cb 0.50 0.41 0.00 0.00 0.00 0.00 0.00 17.79 18.69 2qky h ALA 568 CO -0.19 0.75 0.00 1.03 0.00 0.00 0.00 179.25 180.84 2qky h SER 569 N -0.29 0.00 0.00 0.00 0.87 0.16 -2.85 113.55 111.44 2qky h SER 569 Ca -0.28 0.00 -0.07 0.00 -1.23 0.00 0.00 61.79 60.21 2qky h SER 569 Cb 1.76 0.00 -0.01 0.00 -0.44 0.00 0.00 62.40 63.71 2qky h SER 569 CO 0.08 0.00 -1.27 0.41 -0.53 0.00 0.00 176.83 175.53 2qky n THR 570 N -2.85 0.27 -0.40 2.23 -1.04 0.13 -4.38 114.28 108.24 2qky n THR 570 Ca 0.02 -0.10 0.11 0.00 -2.04 0.00 0.00 64.05 62.04 2qky n THR 570 Cb 0.37 -0.72 0.32 0.00 -1.82 0.00 0.00 70.33 68.47 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 -2.67 2.90 -4.07 -2.82 -0.58 -1.05 -4.95 120.64 107.40 2qky n GLU 571 Ca -0.08 -2.66 -0.29 0.00 -0.42 0.00 0.00 57.16 53.70 2qky n GLU 571 Cb 0.59 -1.60 -0.03 0.00 -0.57 0.00 0.00 31.44 29.83 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 1.47 -1.28 -4.51 1.62 5.03 -1.07 -4.94 115.26 111.58 2qky n ASN 572 Ca 0.24 -1.02 -0.34 0.00 0.87 0.00 0.00 54.58 54.33 2qky n ASN 572 Cb 0.65 -2.87 -0.12 0.00 -1.02 0.00 0.00 39.78 36.43 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 -3.76 3.90 -0.10 2.41 1.01 -0.86 -4.37 121.20 119.42 2qky s ILE 573 Ca 0.26 -0.36 -0.27 0.00 0.00 0.00 0.00 60.65 60.28 2qky s ILE 573 Cb -0.14 -2.70 -0.02 0.00 0.01 0.00 0.00 42.46 39.61 2qky s ILE 573 CO 0.91 0.51 0.88 -0.63 0.00 0.00 0.00 174.94 176.61 2qky s ILE 574 N 0.22 4.88 -0.24 2.92 1.01 0.34 -3.66 121.20 126.67 2qky s ILE 574 Ca -0.02 1.78 -0.02 0.00 0.00 0.00 0.00 60.65 62.39 2qky s ILE 574 Cb -0.14 -4.20 0.02 0.00 0.01 0.00 0.00 42.46 38.15 2qky s ILE 574 CO 0.03 0.08 -0.07 -0.69 0.00 0.00 0.00 174.94 174.29 2qky s VAL 575 N 1.67 2.89 0.31 2.92 1.01 -0.92 -0.16 120.40 128.12 2qky s VAL 575 Ca 0.43 -0.93 0.07 0.00 0.00 0.00 0.00 61.98 61.56 2qky s VAL 575 Cb -0.18 -2.42 -0.06 0.00 0.00 0.00 0.00 36.38 33.72 2qky s VAL 575 CO 0.18 0.26 -0.06 0.00 0.00 0.00 0.00 175.10 175.48 2qky s ALA 576 N 1.35 2.59 0.02 5.51 0.00 -0.76 0.48 121.76 130.95 2qky s ALA 576 Ca 0.02 -1.99 -0.05 0.00 0.00 0.00 0.00 51.96 49.93 2qky s ALA 576 Cb -0.16 0.14 -0.01 0.00 0.00 0.00 0.00 23.12 23.09 2qky s ALA 576 CO -0.05 -0.04 0.08 -1.12 0.00 0.00 0.00 175.76 174.63 2qky s SER 577 N -3.51 0.15 -0.03 0.00 0.01 -0.54 0.20 113.70 109.98 2qky s SER 577 Ca 0.31 -0.43 0.00 0.00 1.31 0.00 0.00 55.95 57.15 2qky s SER 577 Cb 0.04 0.19 0.02 0.00 0.21 0.00 0.00 66.02 66.49 2qky s SER 577 CO 0.14 -0.42 -0.00 0.12 0.41 0.00 0.00 173.24 173.48 2qky s PHE 578 N -2.00 0.32 -0.60 2.43 5.36 -1.26 -2.43 117.98 119.80 2qky s PHE 578 Ca -0.10 -0.01 -0.11 0.00 -0.96 0.00 0.00 56.93 55.75 2qky s PHE 578 Cb -0.05 -0.39 0.15 0.00 -0.34 0.00 0.00 43.02 42.40 2qky s PHE 578 CO -0.02 -0.12 0.50 -0.51 -1.46 0.00 0.00 175.22 173.61 2qky s ASP 579 N 0.90 6.02 0.00 6.13 1.01 -1.02 -4.75 116.67 124.96 2qky s ASP 579 Ca -0.09 -2.20 0.00 0.00 0.71 0.00 0.00 52.55 50.97 2qky s ASP 579 Cb -0.13 -2.09 0.00 0.00 1.01 0.00 0.00 42.92 41.72 2qky s ASP 579 CO -0.01 -0.66 0.00 0.61 0.21 0.00 0.00 175.17 175.31 2qky n GLY 580 N 4.58 2.59 3.66 0.21 0.00 -1.26 -4.17 105.19 110.80 2qky n GLY 580 Ca -0.02 -1.90 -0.46 0.00 0.00 0.00 0.00 46.02 43.64 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 0.00 2.02 0.00 1.61 1.74 -1.26 -1.56 116.66 119.21 2qky n ARG 581 Ca 0.00 0.72 0.00 0.00 -0.77 0.00 0.00 57.85 57.80 2qky n ARG 581 Cb 0.00 -2.44 0.00 0.00 -1.02 0.00 0.00 32.46 29.00 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 2.89 2.70 3.39 -0.13 0.00 0.13 -3.63 105.19 110.54 2qky n GLY 582 Ca 0.15 -0.64 -0.29 0.00 0.00 0.00 0.00 46.02 45.24 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 0.39 -2.16 -1.41 1.61 3.41 -0.60 0.40 113.62 115.26 2qky n SER 583 Ca 0.00 -0.23 0.00 0.00 -0.26 0.00 0.00 58.87 58.38 2qky n SER 583 Cb 0.00 -1.15 0.00 0.00 -0.26 0.00 0.00 64.21 62.80 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 1.38 4.70 2.31 5.00 0.00 -1.13 -3.06 105.19 114.38 2qky n GLY 584 Ca 0.02 -2.02 -0.11 0.00 0.00 0.00 0.00 46.02 43.90 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 0.00 -0.12 -1.29 1.61 4.01 -1.26 -4.83 117.16 115.28 2qky n TYR 585 Ca 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.74 2qky n TYR 585 Cb 0.00 -2.24 0.00 0.00 -0.31 0.00 0.00 39.34 36.79 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 -2.54 0.00 0.00 -0.72 6.02 -1.26 -4.57 117.38 114.30 2qky n GLN 586 Ca -0.12 -0.54 0.00 0.00 -0.01 0.00 0.00 57.00 56.34 2qky n GLN 586 Cb 0.42 -0.44 0.00 0.00 1.02 0.00 0.00 30.24 31.24 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 2.64 0.23 1.08 0.00 -1.26 -4.67 105.19 103.20 2qky n GLY 587 Ca 0.00 -1.77 0.15 0.00 0.00 0.00 0.00 46.02 44.40 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 0.97 1.61 3.32 -1.20 -1.12 116.42 120.00 2qky h ASP 588 Ca 0.00 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 2qky h ASP 588 Cb 0.00 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.55 2qky h ASP 588 CO 0.00 0.00 0.00 0.50 -1.72 0.00 0.00 179.24 178.02 2qky h LYS 589 N 0.00 0.00 0.00 3.56 3.64 -1.86 -0.58 116.57 121.33 2qky h LYS 589 Ca 0.00 0.00 -0.28 0.00 -1.27 0.00 0.00 60.65 59.10 2qky h LYS 589 Cb 0.44 0.00 -0.05 0.00 -0.41 0.00 0.00 32.23 32.21 2qky h LYS 589 CO 0.00 0.00 -2.07 -0.89 -2.27 0.00 0.00 179.45 174.22 2qky n ILE 590 N -2.46 1.07 0.14 2.00 5.41 -0.82 -4.36 119.36 120.34 2qky n ILE 590 Ca 0.02 -0.41 -0.11 0.00 1.00 0.00 0.00 62.75 63.25 2qky n ILE 590 Cb 0.29 -1.18 -0.07 0.00 -0.71 0.00 0.00 39.64 37.97 2qky n ILE 590 CO 0.00 0.00 0.00 -0.03 0.00 0.00 0.00 176.55 176.52 2qky h MET 591 N -0.02 -0.39 0.00 0.38 4.05 -1.15 0.38 114.93 118.17 2qky h MET 591 Ca -0.42 0.03 0.00 0.00 -0.28 0.00 0.00 59.70 59.03 2qky h MET 591 Cb 1.64 0.09 0.00 0.00 -0.80 0.00 0.00 31.60 32.53 2qky h MET 591 CO -0.07 -0.06 0.00 0.72 0.23 0.00 0.00 176.91 177.72 2qky n HIS 592 N -5.08 0.00 0.15 1.39 8.25 -0.23 -3.76 115.22 115.94 2qky n HIS 592 Ca -0.08 0.00 0.09 0.00 -0.26 0.00 0.00 57.72 57.46 2qky n HIS 592 Cb 0.26 0.00 0.59 0.00 1.12 0.00 0.00 29.99 31.96 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 2.23 1.99 -0.45 -1.41 0.00 -1.68 -2.45 119.26 117.49 2qky h ALA 593 Ca 0.00 -0.01 -0.08 0.00 0.00 0.00 0.00 54.91 54.82 2qky h ALA 593 Cb 0.00 -0.04 -0.05 0.00 0.00 0.00 0.00 17.79 17.70 2qky h ALA 593 CO 0.00 -0.02 0.07 0.44 0.00 0.00 0.00 179.25 179.74 2qky n ILE 594 N -4.50 2.58 -1.87 0.00 -5.35 -1.25 -4.94 119.36 104.03 2qky n ILE 594 Ca 0.01 -1.86 -0.42 0.00 -0.27 0.00 0.00 62.75 60.21 2qky n ILE 594 Cb 0.16 -0.30 -0.02 0.00 -1.74 0.00 0.00 39.64 37.74 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 -1.60 6.50 0.00 7.28 3.04 -0.92 -0.90 114.94 128.34 2qky s ASN 595 Ca 0.48 2.77 0.00 0.00 0.04 0.00 0.00 52.86 56.15 2qky s ASN 595 Cb 0.39 -2.61 0.00 0.00 -1.54 0.00 0.00 41.25 37.49 2qky s ASN 595 CO 0.10 -0.85 0.00 0.54 -3.04 0.00 0.00 177.10 173.85 2qky n ARG 596 N 3.08 0.00 -2.65 0.43 1.74 0.36 -4.86 116.66 114.76 2qky n ARG 596 Ca 0.11 0.00 -0.24 0.00 -0.77 0.00 0.00 57.85 56.95 2qky n ARG 596 Cb 0.38 -3.16 -0.01 0.00 -1.02 0.00 0.00 32.46 28.65 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 -2.00 2.90 -1.53 5.56 3.00 -0.08 -4.83 116.66 119.67 2qky n ARG 597 Ca 0.00 -4.34 -0.33 0.00 -0.01 0.00 0.00 57.85 53.17 2qky n ARG 597 Cb 0.00 -2.06 0.07 0.00 0.00 0.00 0.00 32.46 30.47 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 -3.40 3.29 -0.26 0.55 1.43 -1.24 -3.42 118.68 115.63 2qky s LEU 598 Ca 0.45 2.09 0.00 0.00 -1.03 0.00 0.00 54.13 55.64 2qky s LEU 598 Cb 0.38 -4.56 0.00 0.00 0.03 0.00 0.00 46.19 42.04 2qky s LEU 598 CO -0.14 -1.96 0.00 0.61 0.23 0.00 0.00 176.35 175.09 2qky n GLY 599 N -0.29 0.55 0.00 -3.19 0.00 -1.26 -4.92 105.19 96.08 2qky n GLY 599 Ca 0.11 -0.96 0.00 0.00 0.00 0.00 0.00 46.02 45.17 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 -3.00 0.00 -0.35 2.61 -2.24 -1.22 -4.81 114.28 105.28 2qky n THR 600 Ca -0.03 0.00 -0.07 0.00 -2.27 0.00 0.00 64.05 61.69 2qky n THR 600 Cb 0.11 0.00 -0.05 0.00 -2.10 0.00 0.00 70.33 68.29 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 -0.25 0.21 4.78 3.72 -1.26 0.14 117.46 124.80 2qky n PHE 601 Ca 0.00 1.06 0.18 0.00 -0.05 0.00 0.00 57.45 58.64 2qky n PHE 601 Cb 0.00 -0.65 0.84 0.00 -0.94 0.00 0.00 39.48 38.73 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 -1.91 0.38 114.58 121.07 2qky h GLU 602 Ca 0.19 0.00 0.00 0.00 0.05 0.00 0.00 59.36 59.60 2qky h GLU 602 Cb 0.40 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 27.50 2qky h GLU 602 CO -0.81 0.00 -0.22 0.28 0.05 0.00 0.00 179.01 178.31 2qky h VAL 603 N 0.00 0.00 -0.99 -1.06 2.07 0.91 -2.97 116.25 114.22 2qky h VAL 603 Ca 0.09 -0.92 0.33 0.00 0.82 0.00 0.00 66.70 67.03 2qky h VAL 603 Cb 0.61 0.00 -0.16 0.00 -1.52 0.00 0.00 31.29 30.22 2qky h VAL 603 CO -0.00 0.00 0.50 -0.33 0.02 0.00 0.00 177.57 177.76 2qky h GLU 604 N -0.92 0.22 0.17 1.57 5.08 -0.48 -1.51 114.58 118.72 2qky h GLU 604 Ca 0.00 -0.01 -0.01 0.00 -1.00 0.00 0.00 59.36 58.34 2qky h GLU 604 Cb 0.22 -0.05 0.00 0.00 0.50 0.00 0.00 28.75 29.42 2qky h GLU 604 CO 0.00 0.14 -0.08 -0.44 -1.00 0.00 0.00 179.01 177.63 2qky h ASP 605 N 0.23 -0.20 -1.10 1.42 3.32 -1.06 -2.85 116.42 116.18 2qky h ASP 605 Ca 0.73 -0.28 0.30 0.00 0.02 0.00 0.00 57.03 57.81 2qky h ASP 605 Cb 1.71 0.05 -0.08 0.00 0.22 0.00 0.00 39.33 41.23 2qky h ASP 605 CO -0.66 0.20 0.74 -0.61 -1.72 0.00 0.00 179.24 177.18 2qky h GLN 606 N -0.62 0.24 0.17 3.56 5.75 -1.10 0.12 115.11 123.22 2qky h GLN 606 Ca -0.02 -0.01 -0.01 0.00 -0.15 0.00 0.00 58.65 58.45 2qky h GLN 606 Cb 0.46 -0.05 0.00 0.00 1.07 0.00 0.00 27.48 28.96 2qky h GLN 606 CO 0.04 0.16 -0.08 0.82 -2.65 0.00 0.00 178.83 177.12 2qky h ILE 607 N 0.25 0.96 -1.00 2.39 2.04 -1.44 -2.85 117.51 117.86 2qky h ILE 607 Ca 0.60 -0.72 0.22 0.00 1.00 0.00 0.00 64.86 65.96 2qky h ILE 607 Cb 1.82 1.38 -0.11 0.00 -0.74 0.00 0.00 36.82 39.18 2qky h ILE 607 CO -0.22 0.16 0.62 -0.08 0.00 0.00 0.00 178.15 178.63 2qky h GLU 608 N -0.59 0.62 -0.18 2.37 4.57 -0.57 0.57 114.58 121.37 2qky h GLU 608 Ca -0.02 -0.04 -0.06 0.00 -1.18 0.00 0.00 59.36 58.06 2qky h GLU 608 Cb 0.44 -0.14 -0.01 0.00 -0.16 0.00 0.00 28.75 28.88 2qky h GLU 608 CO 0.04 0.41 -0.15 0.00 -1.18 0.00 0.00 179.01 178.13 2qky h ALA 609 N 1.66 1.42 -0.12 2.92 0.00 -1.17 0.63 119.26 124.60 2qky h ALA 609 Ca 0.59 -0.24 -0.03 0.00 0.00 0.00 0.00 54.91 55.23 2qky h ALA 609 Cb 1.09 -0.10 -0.00 0.00 0.00 0.00 0.00 17.79 18.78 2qky h ALA 609 CO -0.37 0.40 -0.04 0.00 0.00 0.00 0.00 179.25 179.24 2qky h ALA 610 N 1.58 0.16 0.00 0.00 0.00 0.29 1.00 119.26 122.29 2qky h ALA 610 Ca 0.05 -0.24 -0.00 0.00 0.00 0.00 0.00 54.91 54.72 2qky h ALA 610 Cb 0.43 -0.04 -0.00 0.00 0.00 0.00 0.00 17.79 18.18 2qky h ALA 610 CO 0.03 -0.07 -0.01 0.00 0.00 0.00 0.00 179.25 179.20 2qky h ARG 611 N -0.10 0.00 -0.08 0.00 3.08 0.03 -0.99 114.38 116.32 2qky h ARG 611 Ca 0.03 0.00 -0.17 0.00 0.07 0.00 0.00 59.98 59.91 2qky h ARG 611 Cb 0.49 0.00 0.01 0.00 0.08 0.00 0.00 29.97 30.55 2qky h ARG 611 CO 0.01 0.01 -0.60 1.96 -1.07 0.00 0.00 179.97 180.28 2qky h GLN 612 N 0.00 0.55 -0.04 0.04 1.08 0.66 -3.15 115.11 114.24 2qky h GLN 612 Ca -0.00 -0.48 -0.00 0.00 -1.45 0.00 0.00 58.65 56.72 2qky h GLN 612 Cb 0.01 0.11 -0.00 0.00 -0.05 0.00 0.00 27.48 27.55 2qky h GLN 612 CO 0.00 1.11 0.02 0.74 -0.95 0.00 0.00 178.83 179.75 2qky h PHE 613 N 0.15 0.05 -1.00 2.96 0.04 0.17 -2.98 116.94 116.32 2qky h PHE 613 Ca -0.05 -0.00 0.07 0.00 2.80 0.00 0.00 57.97 60.79 2qky h PHE 613 Cb 1.26 -0.02 -0.07 0.00 2.20 0.00 0.00 35.95 39.33 2qky h PHE 613 CO 0.12 0.12 0.64 0.66 -0.60 0.00 0.00 178.31 179.25 2qky h SER 614 N -0.03 1.02 -0.26 2.17 4.64 -1.33 -1.78 113.55 117.97 2qky h SER 614 Ca 0.01 0.01 0.06 0.00 -0.47 0.00 0.00 61.79 61.41 2qky h SER 614 Cb 0.09 -0.20 -0.06 0.00 -0.31 0.00 0.00 62.40 61.92 2qky h SER 614 CO -0.00 0.63 -0.16 0.11 -0.87 0.00 0.00 176.83 176.54 2qky h LYS 615 N 1.14 -0.13 -1.45 4.77 1.79 -1.48 -2.15 116.57 119.05 2qky h LYS 615 Ca 0.44 0.01 0.43 0.00 -2.18 0.00 0.00 60.65 59.35 2qky h LYS 615 Cb 0.22 0.03 -0.07 0.00 -1.58 0.00 0.00 32.23 30.83 2qky h LYS 615 CO -0.18 -0.09 1.03 -1.33 -1.08 0.00 0.00 179.45 177.79 2qky n MET 616 N -5.32 -0.01 -0.09 3.15 2.81 -0.67 -4.78 117.12 112.22 2qky n MET 616 Ca -0.01 0.87 0.00 0.00 -1.81 0.00 0.00 57.70 56.76 2qky n MET 616 Cb 0.24 -1.94 0.00 0.00 -0.71 0.00 0.00 33.22 30.80 2qky n MET 616 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 2qky n GLY 617 N -1.65 0.88 1.11 3.03 0.00 -0.81 -4.94 105.19 102.81 2qky n GLY 617 Ca 0.34 0.00 0.04 0.00 0.00 0.00 0.00 46.02 46.40 2qky n GLY 617 CO 0.00 0.00 0.00 1.97 0.00 0.00 0.00 173.32 175.29 2qky n PHE 618 N -2.07 0.00 -3.97 1.61 1.16 -1.25 -4.58 117.46 108.35 2qky n PHE 618 Ca 0.00 -0.71 -0.29 0.00 -1.87 0.00 0.00 57.45 54.58 2qky n PHE 618 Cb 0.00 -0.16 -0.16 0.00 -1.61 0.00 0.00 39.48 37.54 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 -0.91 1.40 -0.93 1.97 1.01 -1.25 0.75 120.40 122.43 2qky s VAL 619 Ca 0.31 -0.62 -0.25 0.00 0.00 0.00 0.00 61.98 61.42 2qky s VAL 619 Cb 0.34 -1.40 -0.07 0.00 0.00 0.00 0.00 36.38 35.25 2qky s VAL 619 CO -0.12 0.34 2.01 -0.62 0.00 0.00 0.00 175.10 176.71 2qky s ASP 620 N 1.54 4.92 0.35 3.32 -1.08 0.27 -4.77 116.67 121.22 2qky s ASP 620 Ca 0.03 -0.73 0.25 0.00 -0.52 0.00 0.00 52.55 51.58 2qky s ASP 620 Cb -0.14 -2.56 1.19 0.00 -1.46 0.00 0.00 42.92 39.95 2qky s ASP 620 CO -0.09 -2.99 1.26 0.59 0.52 0.00 0.00 175.17 174.45 2qky n ASN 621 N 14.79 0.18 0.08 -0.34 3.02 -1.26 0.24 115.26 131.97 2qky n ASN 621 Ca 0.42 1.14 0.11 0.00 -0.03 0.00 0.00 54.58 56.22 2qky n ASN 621 Cb 0.46 -0.56 0.44 0.00 -0.61 0.00 0.00 39.78 39.52 2qky n ASN 621 CO 0.00 0.00 0.00 0.29 -2.62 0.00 0.00 177.26 174.93 2qky n LYS 622 N -4.36 0.14 -3.60 3.52 5.02 -1.26 -4.22 118.16 113.40 2qky n LYS 622 Ca 0.32 0.30 -0.28 0.00 -2.02 0.00 0.00 58.31 56.64 2qky n LYS 622 Cb 1.24 -1.73 -0.11 0.00 -0.02 0.00 0.00 35.03 34.40 2qky n LYS 622 CO 0.00 0.00 0.00 1.03 -0.52 0.00 0.00 177.40 177.91 2qky s ARG 623 N -3.17 1.40 -0.07 1.97 0.52 0.66 -4.84 118.95 115.42 2qky s ARG 623 Ca 0.07 -2.41 -0.00 0.00 -0.52 0.00 0.00 55.73 52.87 2qky s ARG 623 Cb 0.11 -2.15 0.02 0.00 0.52 0.00 0.00 34.95 33.46 2qky s ARG 623 CO 0.41 -1.31 -0.04 0.42 0.02 0.00 0.00 175.30 174.79 2qky s ILE 624 N -0.28 0.66 0.10 1.52 1.01 -1.26 -1.27 121.20 121.69 2qky s ILE 624 Ca 0.27 -0.11 0.05 0.00 0.00 0.00 0.00 60.65 60.86 2qky s ILE 624 Cb -0.05 -0.73 -0.04 0.00 0.01 0.00 0.00 42.46 41.66 2qky s ILE 624 CO -0.15 0.29 -0.13 0.00 0.00 0.00 0.00 174.94 174.96 2qky s ALA 625 N 1.50 1.30 0.11 9.38 0.00 -0.40 -0.68 121.76 132.99 2qky s ALA 625 Ca -0.01 -1.20 0.09 0.00 0.00 0.00 0.00 51.96 50.83 2qky s ALA 625 Cb -0.13 -0.04 -0.04 0.00 0.00 0.00 0.00 23.12 22.91 2qky s ALA 625 CO -0.04 0.06 -0.21 -1.50 0.00 0.00 0.00 175.76 174.07 2qky s ILE 626 N -2.10 1.78 -0.28 0.00 2.07 -1.16 0.77 121.20 122.29 2qky s ILE 626 Ca 0.06 -1.61 -0.15 0.00 -1.41 0.00 0.00 60.65 57.54 2qky s ILE 626 Cb -0.05 -1.63 0.08 0.00 0.13 0.00 0.00 42.46 40.99 2qky s ILE 626 CO 0.02 -0.07 0.68 -1.66 -1.91 0.00 0.00 174.94 171.99 2qky s TRP 627 N -1.25 -1.06 0.00 3.50 1.48 -1.06 -1.00 118.94 119.55 2qky s TRP 627 Ca 0.08 2.11 0.00 0.00 -1.06 0.00 0.00 56.10 57.23 2qky s TRP 627 Cb -0.10 0.63 0.00 0.00 -1.16 0.00 0.00 33.47 32.84 2qky s TRP 627 CO 0.05 -0.53 0.00 0.41 -4.06 0.00 0.00 176.95 172.82 2qky n GLY 628 N 4.36 4.35 3.64 3.67 0.00 -0.33 -3.53 105.19 117.35 2qky n GLY 628 Ca -0.20 -1.99 -0.07 0.00 0.00 0.00 0.00 46.02 43.76 2qky n GLY 628 CO 0.00 0.00 0.00 0.86 0.00 0.00 0.00 173.32 174.18 2qky s TRP 629 N -1.24 -0.92 0.00 1.61 -0.11 -1.26 -2.39 118.94 114.63 2qky s TRP 629 Ca 0.00 1.89 0.00 0.00 1.22 0.00 0.00 56.10 59.21 2qky s TRP 629 Cb 0.00 0.53 0.00 0.00 -1.50 0.00 0.00 33.47 32.50 2qky s TRP 629 CO 0.00 -0.46 0.00 0.45 -4.62 0.00 0.00 176.95 172.32 2qky n SER 630 N 3.96 0.00 -0.22 5.86 2.88 -0.51 -1.99 113.62 123.59 2qky n SER 630 Ca -0.19 0.00 0.01 0.00 -1.33 0.00 0.00 58.87 57.37 2qky n SER 630 Cb 0.58 0.00 0.13 0.00 -0.75 0.00 0.00 64.21 64.17 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 0.46 -0.16 0.66 5.03 -1.87 0.17 116.97 121.26 2qky h TYR 631 Ca 0.00 0.03 0.05 0.00 2.58 0.00 0.00 58.73 61.39 2qky h TYR 631 Cb 0.00 -0.11 -0.06 0.00 1.55 0.00 0.00 36.73 38.11 2qky h TYR 631 CO 0.00 0.11 -0.26 0.78 -1.32 0.00 0.00 178.16 177.47 2qky h GLY 632 N 0.45 -0.27 -0.14 1.82 0.00 -1.38 0.29 103.07 103.84 2qky h GLY 632 Ca 0.34 0.32 0.27 0.00 0.00 0.00 0.00 47.33 48.26 2qky h GLY 632 CO -0.32 -0.20 0.68 -1.33 0.00 0.00 0.00 176.54 175.36 2qky h GLY 633 N -0.31 1.09 1.03 4.60 0.00 -0.62 0.31 103.07 109.17 2qky h GLY 633 Ca 0.11 -0.18 -0.12 0.00 0.00 0.00 0.00 47.33 47.13 2qky h GLY 633 CO -0.34 -0.12 -0.25 -1.82 0.00 0.00 0.00 176.54 174.01 2qky h TYR 634 N 0.35 0.96 -0.21 5.60 3.20 0.99 -2.41 116.97 125.47 2qky h TYR 634 Ca 0.59 -0.26 -0.19 0.00 3.14 0.00 0.00 58.73 62.01 2qky h TYR 634 Cb 1.56 -0.21 0.00 0.00 1.54 0.00 0.00 36.73 39.62 2qky h TYR 634 CO -0.00 1.03 -0.63 0.28 -1.64 0.00 0.00 178.16 177.20 2qky h VAL 635 N 0.62 1.30 -0.57 1.81 2.07 0.83 -1.39 116.25 120.92 2qky h VAL 635 Ca 0.07 -1.85 0.09 0.00 0.82 0.00 0.00 66.70 65.83 2qky h VAL 635 Cb 0.82 1.81 -0.07 0.00 -1.52 0.00 0.00 31.29 32.32 2qky h VAL 635 CO 0.07 0.59 0.20 0.74 0.02 0.00 0.00 177.57 179.18 2qky h THR 636 N 0.54 0.77 -0.45 2.57 2.02 -0.85 0.25 112.91 117.75 2qky h THR 636 Ca -0.01 -0.13 -0.05 0.00 0.77 0.00 0.00 66.41 67.00 2qky h THR 636 Cb 1.22 0.37 -0.02 0.00 -1.74 0.00 0.00 68.15 67.99 2qky h THR 636 CO 0.13 0.07 0.09 0.28 0.37 0.00 0.00 175.52 176.46 2qky h SER 637 N 0.37 0.70 -0.56 4.18 0.02 -1.29 -2.42 113.55 114.55 2qky h SER 637 Ca 0.28 -0.25 -0.08 0.00 -0.84 0.00 0.00 61.79 60.91 2qky h SER 637 Cb 0.34 -0.19 -0.02 0.00 0.14 0.00 0.00 62.40 62.67 2qky h SER 637 CO -0.30 0.77 0.05 0.24 -1.14 0.00 0.00 176.83 176.45 2qky h MET 638 N 0.61 1.00 -0.31 3.45 2.86 -0.54 -3.00 114.93 118.99 2qky h MET 638 Ca 0.14 -0.28 -0.04 0.00 -2.06 0.00 0.00 59.70 57.47 2qky h MET 638 Cb 0.35 -0.11 -0.02 0.00 0.06 0.00 0.00 31.60 31.88 2qky h MET 638 CO 0.01 0.95 0.04 0.28 1.06 0.00 0.00 176.91 179.24 2qky h VAL 639 N 0.93 1.17 0.00 -2.22 2.07 -0.32 -0.88 116.25 116.99 2qky h VAL 639 Ca 0.18 -0.63 -0.09 0.00 0.82 0.00 0.00 66.70 66.97 2qky h VAL 639 Cb 0.47 0.89 -0.01 0.00 -1.52 0.00 0.00 31.29 31.12 2qky h VAL 639 CO 0.02 0.22 -0.56 -0.07 0.02 0.00 0.00 177.57 177.20 2qky h LEU 640 N 0.45 0.00 -0.48 2.57 3.38 -1.33 -3.17 115.31 116.73 2qky h LEU 640 Ca 0.10 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.07 2qky h LEU 640 Cb 0.24 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.99 2qky h LEU 640 CO 0.00 0.42 -0.47 0.61 0.09 0.00 0.00 178.44 179.10 2qky n GLY 641 N 1.23 -0.60 0.32 0.83 0.00 -1.10 -4.16 105.19 101.71 2qky n GLY 641 Ca 0.01 -0.49 0.15 0.00 0.00 0.00 0.00 46.02 45.69 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 1.16 0.41 0.00 1.61 4.64 -1.13 -3.44 113.55 116.80 2qky h SER 642 Ca 0.00 0.16 0.00 0.00 -0.47 0.00 0.00 61.79 61.48 2qky h SER 642 Cb 0.57 0.12 0.00 0.00 -0.31 0.00 0.00 62.40 62.78 2qky h SER 642 CO 0.00 0.00 0.00 0.61 -0.87 0.00 0.00 176.83 176.57 2qky n GLY 643 N -1.33 0.63 0.00 -0.77 0.00 -1.26 -4.94 105.19 97.52 2qky n GLY 643 Ca 0.24 -0.50 0.10 0.00 0.00 0.00 0.00 46.02 45.86 2qky n GLY 643 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 2qky n SER 644 N 0.91 0.00 0.00 1.61 3.41 -1.26 -4.85 113.62 113.44 2qky n SER 644 Ca 0.00 -0.58 0.00 0.00 -0.26 0.00 0.00 58.87 58.03 2qky n SER 644 Cb 0.00 -0.03 0.00 0.00 -0.26 0.00 0.00 64.21 63.92 2qky n SER 644 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2qky n GLY 645 N 0.32 0.00 0.11 5.00 0.00 -1.26 -4.71 105.19 104.65 2qky n GLY 645 Ca 0.15 0.00 -0.15 0.00 0.00 0.00 0.00 46.02 46.02 2qky n GLY 645 CO 0.00 0.00 0.00 -2.08 0.00 0.00 0.00 173.32 171.24 2qky h VAL 646 N 0.00 1.47 -3.08 1.61 2.07 -1.94 -3.46 116.25 112.92 2qky h VAL 646 Ca 0.00 -1.78 -0.56 0.00 0.82 0.00 0.00 66.70 65.18 2qky h VAL 646 Cb 0.28 2.50 -0.03 0.00 -1.52 0.00 0.00 31.29 32.52 2qky h VAL 646 CO 0.00 0.50 -0.30 -0.36 0.02 0.00 0.00 177.57 177.43 2qky s PHE 647 N -3.46 3.48 -0.13 1.57 0.08 -1.26 -4.75 117.98 113.50 2qky s PHE 647 Ca -0.15 0.50 -0.09 0.00 0.12 0.00 0.00 56.93 57.31 2qky s PHE 647 Cb 0.02 -1.97 -0.03 0.00 -0.57 0.00 0.00 43.02 40.47 2qky s PHE 647 CO 0.75 0.40 -0.18 1.17 -0.10 0.00 0.00 175.22 177.26 2qky n LYS 648 N -0.21 0.41 -4.37 0.44 4.81 0.15 -4.83 118.16 114.56 2qky n LYS 648 Ca -0.03 0.46 -0.20 0.00 -0.87 0.00 0.00 58.31 57.67 2qky n LYS 648 Cb 0.52 -1.55 -0.09 0.00 0.02 0.00 0.00 35.03 33.94 2qky n LYS 648 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 2qky s GLY 650 N -3.42 -0.22 -0.01 0.00 0.00 -0.62 -2.97 107.32 100.07 2qky s GLY 650 Ca 0.34 0.09 0.00 0.00 0.00 0.00 0.00 44.72 45.15 2qky s GLY 650 CO 0.18 -0.00 -0.01 -0.42 0.00 0.00 0.00 173.10 172.85 2qky s ILE 651 N -3.37 0.13 -0.37 0.90 1.01 -0.17 -3.15 121.20 116.17 2qky s ILE 651 Ca 0.12 0.02 0.01 0.00 0.00 0.00 0.00 60.65 60.79 2qky s ILE 651 Cb -0.02 -0.18 0.12 0.00 0.01 0.00 0.00 42.46 42.39 2qky s ILE 651 CO 0.03 0.09 0.17 0.00 0.00 0.00 0.00 174.94 175.22 2qky s ALA 652 N 0.48 1.76 -0.07 9.38 0.00 -0.80 -1.18 121.76 131.33 2qky s ALA 652 Ca -0.04 -2.10 -0.27 0.00 0.00 0.00 0.00 51.96 49.54 2qky s ALA 652 Cb -0.07 -1.74 -0.03 0.00 0.00 0.00 0.00 23.12 21.28 2qky s ALA 652 CO -0.01 -1.89 0.89 0.08 0.00 0.00 0.00 175.76 174.83 2qky s VAL 653 N 1.01 4.90 -1.75 0.00 1.01 -1.00 -3.20 120.40 121.37 2qky s VAL 653 Ca 0.14 1.82 -0.18 0.00 0.00 0.00 0.00 61.98 63.76 2qky s VAL 653 Cb -0.21 -4.22 0.17 0.00 0.00 0.00 0.00 36.38 32.12 2qky s VAL 653 CO -0.11 0.13 0.63 0.00 0.00 0.00 0.00 175.10 175.74 2qky n ALA 654 N 4.33 -1.35 -1.11 5.51 0.00 0.25 -1.43 120.51 126.71 2qky n ALA 654 Ca 0.04 -0.14 -0.30 0.00 0.00 0.00 0.00 53.44 53.05 2qky n ALA 654 Cb 0.50 -2.76 0.14 0.00 0.00 0.00 0.00 19.45 17.32 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 -7.08 1.35 -0.13 0.00 0.04 -1.26 -3.49 135.00 124.44 2qky s PRO 655 Ca 0.68 1.01 -0.16 0.00 0.04 0.00 0.00 61.00 62.56 2qky s PRO 655 Cb -0.38 -1.80 -0.04 0.00 0.04 0.00 0.00 34.50 32.31 2qky s PRO 655 CO 0.97 -2.23 0.39 0.08 0.04 0.00 0.00 177.00 176.25 2qky s VAL 656 N -2.86 5.23 -0.18 -0.36 1.01 -1.25 -4.68 120.40 117.31 2qky s VAL 656 Ca 0.64 0.77 -0.13 0.00 0.00 0.00 0.00 61.98 63.25 2qky s VAL 656 Cb -0.19 -3.73 -0.21 0.00 0.00 0.00 0.00 36.38 32.25 2qky s VAL 656 CO 0.57 0.37 0.20 -1.54 0.00 0.00 0.00 175.10 174.71 2qky n SER 657 N 3.51 1.99 -4.03 3.32 3.41 -1.26 -4.44 113.62 116.12 2qky n SER 657 Ca -0.10 0.29 -0.10 0.00 -0.26 0.00 0.00 58.87 58.70 2qky n SER 657 Cb 0.52 -0.88 -0.11 0.00 -0.26 0.00 0.00 64.21 63.48 2qky n SER 657 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2qky s ARG 658 N -2.47 0.44 0.34 4.33 1.70 -1.26 -1.50 118.95 120.52 2qky s ARG 658 Ca -0.27 -0.77 0.26 0.00 -0.47 0.00 0.00 55.73 54.48 2qky s ARG 658 Cb 0.07 -0.01 0.82 0.00 -0.57 0.00 0.00 34.95 35.27 2qky s ARG 658 CO 0.66 -0.03 1.76 -1.49 -1.08 0.00 0.00 175.30 175.12 2qky h TRP 659 N 4.33 0.00 0.00 5.89 4.06 -1.86 -3.15 115.95 125.22 2qky h TRP 659 Ca -0.33 0.00 0.00 0.00 2.06 0.00 0.00 58.89 60.62 2qky h TRP 659 Cb 1.20 0.00 0.00 0.00 -1.00 0.00 0.00 29.16 29.36 2qky h TRP 659 CO 0.64 0.00 0.00 0.39 -3.56 0.00 0.00 178.44 175.91 2qky n GLU 660 N -2.63 0.32 0.00 0.49 1.02 -1.26 -2.31 120.64 116.27 2qky n GLU 660 Ca 0.04 0.01 0.12 0.00 -0.02 0.00 0.00 57.16 57.31 2qky n GLU 660 Cb 0.39 -1.50 0.14 0.00 -0.02 0.00 0.00 31.44 30.45 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 -1.33 0.00 -3.98 -0.32 4.01 -1.19 -4.13 117.16 110.21 2qky n TYR 661 Ca 0.12 0.00 -0.25 0.00 -0.16 0.00 0.00 57.90 57.61 2qky n TYR 661 Cb 0.25 -0.04 -0.03 0.00 -0.31 0.00 0.00 39.34 39.21 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 -2.45 3.41 0.55 -0.72 5.04 -0.98 -4.82 117.35 117.38 2qky s TYR 662 Ca 0.21 0.06 -0.19 0.00 -2.44 0.00 0.00 57.07 54.71 2qky s TYR 662 Cb 0.19 -1.61 -0.08 0.00 0.35 0.00 0.00 41.96 40.81 2qky s TYR 662 CO 0.54 0.50 0.78 -0.40 -1.34 0.00 0.00 175.55 175.63 2qky n ASP 663 N -0.69 0.05 0.10 4.32 5.68 -1.26 0.75 116.55 125.50 2qky n ASP 663 Ca -0.08 0.82 -0.13 0.00 -0.50 0.00 0.00 54.79 54.90 2qky n ASP 663 Cb 0.55 -1.28 -0.08 0.00 -1.14 0.00 0.00 41.12 39.16 2qky n ASP 663 CO 0.00 0.00 0.00 0.77 -1.33 0.00 0.00 177.20 176.64 2qky h SER 664 N 0.57 -0.22 -0.90 -1.12 4.64 -0.43 -1.26 113.55 114.82 2qky h SER 664 Ca -0.46 -0.23 0.24 0.00 -0.47 0.00 0.00 61.79 60.87 2qky h SER 664 Cb 1.38 0.06 -0.14 0.00 -0.31 0.00 0.00 62.40 63.38 2qky h SER 664 CO 0.50 0.13 0.31 0.58 -0.87 0.00 0.00 176.83 177.49 2qky h VAL 665 N -0.59 0.34 0.00 0.95 2.07 -1.92 -0.45 116.25 116.65 2qky h VAL 665 Ca -0.03 -0.09 -0.08 0.00 0.82 0.00 0.00 66.70 67.32 2qky h VAL 665 Cb 0.44 0.06 -0.01 0.00 -1.52 0.00 0.00 31.29 30.25 2qky h VAL 665 CO 0.04 0.05 -0.55 0.22 0.02 0.00 0.00 177.57 177.35 2qky h TYR 666 N 0.26 0.00 -0.95 1.57 5.03 -1.89 -3.28 116.97 117.70 2qky h TYR 666 Ca 0.58 0.00 0.07 0.00 2.58 0.00 0.00 58.73 61.96 2qky h TYR 666 Cb 1.19 0.00 -0.07 0.00 1.55 0.00 0.00 36.73 39.40 2qky h TYR 666 CO -0.20 0.79 0.61 1.15 -1.32 0.00 0.00 178.16 179.19 2qky h THR 667 N -1.00 1.05 0.00 1.81 2.02 -1.11 -1.91 112.91 113.77 2qky h THR 667 Ca -0.12 -0.37 0.00 0.00 0.77 0.00 0.00 66.41 66.69 2qky h THR 667 Cb 0.83 -0.13 0.00 0.00 -1.74 0.00 0.00 68.15 67.12 2qky h THR 667 CO -0.07 0.20 0.00 -0.33 0.37 0.00 0.00 175.52 175.68 2qky h GLU 668 N 1.08 0.00 0.00 6.66 5.08 -1.25 -0.17 114.58 125.98 2qky h GLU 668 Ca 0.42 0.00 -0.00 0.00 -1.00 0.00 0.00 59.36 58.78 2qky h GLU 668 Cb 0.21 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.46 2qky h GLU 668 CO -0.18 0.00 -0.01 -0.09 -1.00 0.00 0.00 179.01 177.73 2qky h ARG 669 N 0.00 0.00 0.00 2.33 2.43 -1.40 -2.28 114.38 115.46 2qky h ARG 669 Ca 0.00 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.17 2qky h ARG 669 Cb 0.67 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.22 2qky h ARG 669 CO 0.00 0.01 -0.36 0.66 -1.51 0.00 0.00 179.97 178.77 2qky n TYR 670 N -3.10 0.00 0.42 2.20 4.01 -1.19 -4.67 117.16 114.83 2qky n TYR 670 Ca 0.02 0.00 0.04 0.00 -0.16 0.00 0.00 57.90 57.80 2qky n TYR 670 Cb 0.41 0.00 -0.03 0.00 -0.31 0.00 0.00 39.34 39.40 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 -0.93 3.45 0.00 -0.72 2.81 -0.08 0.13 117.12 121.79 2qky n MET 671 Ca 0.00 -0.18 0.00 0.00 -1.81 0.00 0.00 57.70 55.71 2qky n MET 671 Cb 0.00 -0.96 0.00 0.00 -0.71 0.00 0.00 33.22 31.55 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 1.10 -0.02 3.43 3.03 0.00 -0.86 -4.69 105.19 107.18 2qky n GLY 672 Ca 0.02 -0.97 -0.34 0.00 0.00 0.00 0.00 46.02 44.73 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 3.05 0.00 0.99 1.43 -1.26 -4.24 118.68 118.64 2qky s LEU 673 Ca 0.00 -0.23 0.00 0.00 -1.03 0.00 0.00 54.13 52.87 2qky s LEU 673 Cb 0.00 -1.73 0.00 0.00 0.03 0.00 0.00 46.19 44.49 2qky s LEU 673 CO 0.00 0.13 0.08 -0.81 0.23 0.00 0.00 176.35 175.98 2qky n PRO 674 N 3.77 0.05 -3.75 1.29 -0.04 -1.26 -2.23 135.00 132.83 2qky n PRO 674 Ca -0.18 0.00 -0.23 0.00 -0.04 0.00 0.00 63.50 63.05 2qky n PRO 674 Cb 0.52 -1.47 -0.02 0.00 -0.04 0.00 0.00 33.50 32.49 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 1.31 5.21 -0.30 0.52 -4.23 -1.26 -4.41 115.64 112.47 2qky s THR 675 Ca 0.00 -0.72 0.27 0.00 -1.18 0.00 0.00 61.69 60.06 2qky s THR 675 Cb 0.00 -3.83 0.34 0.00 1.34 0.00 0.00 72.50 70.35 2qky s THR 675 CO 0.00 -0.36 1.77 1.55 -0.54 0.00 0.00 174.62 177.04 2qky h PRO 676 N 1.24 0.00 0.00 3.99 0.13 -1.96 0.20 132.00 135.59 2qky h PRO 676 Ca -0.50 0.00 -0.09 0.00 -0.87 0.00 0.00 66.00 64.54 2qky h PRO 676 Cb 1.22 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.34 2qky h PRO 676 CO 0.63 0.00 -0.42 1.05 -0.23 0.00 0.00 178.00 179.03 2qky h GLU 677 N 0.00 0.00 0.00 0.86 9.09 -1.94 -3.45 114.58 119.14 2qky h GLU 677 Ca 0.00 0.00 0.00 0.00 0.05 0.00 0.00 59.36 59.41 2qky h GLU 677 Cb 0.73 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 27.83 2qky h GLU 677 CO 0.00 0.42 0.00 -3.47 0.05 0.00 0.00 179.01 176.01 2qky n ASP 678 N -3.29 0.00 -0.59 3.06 -0.08 -0.93 -5.03 116.55 109.69 2qky n ASP 678 Ca 0.01 0.00 0.05 0.00 -1.51 0.00 0.00 54.79 53.35 2qky n ASP 678 Cb 0.64 0.00 0.19 0.00 2.34 0.00 0.00 41.12 44.30 2qky n ASP 678 CO 0.00 0.00 0.00 -3.20 0.12 0.00 0.00 177.20 174.12 2qky n ASN 679 N 0.00 2.41 -0.06 1.67 5.15 -0.95 -4.84 115.26 118.65 2qky n ASN 679 Ca 0.00 -3.48 -0.08 0.00 -0.60 0.00 0.00 54.58 50.42 2qky n ASN 679 Cb 0.00 -0.52 -0.02 0.00 -0.53 0.00 0.00 39.78 38.71 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 0.80 -0.81 -0.84 1.20 5.85 -0.72 -2.73 115.31 118.05 2qky h LEU 680 Ca 0.05 0.15 0.11 0.00 0.84 0.00 0.00 57.88 59.03 2qky h LEU 680 Cb 1.21 0.38 -0.13 0.00 0.37 0.00 0.00 40.66 42.50 2qky h LEU 680 CO 0.12 -0.28 -0.38 0.47 -0.34 0.00 0.00 178.44 178.02 2qky n ASP 681 N -5.38 -0.65 0.22 1.25 9.92 -1.26 0.23 116.55 120.87 2qky n ASP 681 Ca -0.01 1.48 0.09 0.00 -0.53 0.00 0.00 54.79 55.82 2qky n ASP 681 Cb 0.30 -0.29 0.45 0.00 -0.64 0.00 0.00 41.12 40.93 2qky n ASP 681 CO 0.00 0.00 0.00 -0.74 0.13 0.00 0.00 177.20 176.59 2qky h HIS 682 N 0.00 0.00 0.85 1.24 2.76 -1.86 -0.63 115.15 117.51 2qky h HIS 682 Ca 0.25 0.00 -0.04 0.00 -2.20 0.00 0.00 60.37 58.37 2qky h HIS 682 Cb 0.46 0.00 0.01 0.00 1.55 0.00 0.00 27.41 29.42 2qky h HIS 682 CO -0.78 0.26 -0.41 1.88 -1.30 0.00 0.00 177.93 177.58 2qky h TYR 683 N 0.00 -1.06 0.00 5.26 0.05 0.02 -2.87 116.97 118.36 2qky h TYR 683 Ca -0.00 -0.02 -0.03 0.00 0.05 0.00 0.00 58.73 58.72 2qky h TYR 683 Cb 0.74 0.35 -0.00 0.00 1.01 0.00 0.00 36.73 38.83 2qky h TYR 683 CO 0.00 -0.65 -0.17 0.00 -1.05 0.00 0.00 178.16 176.29 2qky h ARG 684 N -1.19 0.00 -0.78 4.88 2.47 -1.19 -2.91 114.38 115.66 2qky h ARG 684 Ca -0.12 0.00 0.00 0.00 -1.26 0.00 0.00 59.98 58.60 2qky h ARG 684 Cb 0.88 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 29.20 2qky h ARG 684 CO 0.19 0.17 0.00 -1.71 0.56 0.00 0.00 179.97 179.18 2qky n ASN 685 N -3.76 2.63 -2.77 7.04 4.05 -0.25 -4.16 115.26 118.03 2qky n ASN 685 Ca -0.02 -2.31 -0.01 0.00 0.45 0.00 0.00 54.58 52.69 2qky n ASN 685 Cb 0.27 -0.53 0.08 0.00 1.23 0.00 0.00 39.78 40.83 2qky n ASN 685 CO 0.00 0.00 0.00 -1.54 -3.05 0.00 0.00 177.26 172.67 2qky n SER 686 N 0.24 0.46 -4.98 1.20 3.41 -1.10 -4.98 113.62 107.88 2qky n SER 686 Ca 0.10 -2.13 -0.20 0.00 -0.26 0.00 0.00 58.87 56.39 2qky n SER 686 Cb 0.56 -0.05 -0.01 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 -2.36 4.53 -0.01 6.66 -4.23 -1.26 -4.76 115.64 114.21 2qky s THR 687 Ca 0.21 -0.93 -0.14 0.00 -1.18 0.00 0.00 61.69 59.65 2qky s THR 687 Cb 0.37 -3.59 -0.34 0.00 1.34 0.00 0.00 72.50 70.28 2qky s THR 687 CO -0.07 -0.25 0.85 0.58 -0.54 0.00 0.00 174.62 175.19 2qky h VAL 688 N 0.94 1.13 -0.95 2.29 2.07 -1.61 -3.34 116.25 116.78 2qky h VAL 688 Ca -0.48 -2.61 0.28 0.00 0.82 0.00 0.00 66.70 64.70 2qky h VAL 688 Cb 1.25 2.92 -0.04 0.00 -1.52 0.00 0.00 31.29 33.90 2qky h VAL 688 CO 0.56 0.83 0.98 0.24 0.02 0.00 0.00 177.57 180.21 2qky h MET 689 N 0.12 0.00 0.00 1.57 2.86 -1.89 0.27 114.93 117.85 2qky h MET 689 Ca -0.30 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.34 2qky h MET 689 Cb 2.13 0.00 0.00 0.00 0.06 0.00 0.00 31.60 33.79 2qky h MET 689 CO 0.23 0.00 -0.65 0.66 1.06 0.00 0.00 176.91 178.21 2qky h SER 690 N 0.00 0.00 -0.54 1.22 4.64 -1.96 -3.26 113.55 113.65 2qky h SER 690 Ca 0.45 -0.18 -0.00 0.00 -0.47 0.00 0.00 61.79 61.59 2qky h SER 690 Cb 2.41 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 64.50 2qky h SER 690 CO -0.00 0.09 0.00 0.54 -0.87 0.00 0.00 176.83 176.59 2qky n ARG 691 N -2.21 4.62 -0.13 4.77 1.74 0.94 -4.57 116.66 121.82 2qky n ARG 691 Ca 0.03 -2.93 -0.08 0.00 -0.77 0.00 0.00 57.85 54.10 2qky n ARG 691 Cb 0.46 -2.22 0.00 0.00 -1.02 0.00 0.00 32.46 29.68 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 3.85 0.51 -0.27 7.54 0.00 -1.60 -2.65 119.26 126.64 2qky h ALA 692 Ca 0.00 -0.03 0.08 0.00 0.00 0.00 0.00 54.91 54.96 2qky h ALA 692 Cb 1.89 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 19.51 2qky h ALA 692 CO 0.46 -0.03 0.29 1.49 0.00 0.00 0.00 179.25 181.47 2qky h GLU 693 N 0.54 0.00 0.00 0.00 4.57 -1.88 -1.61 114.58 116.20 2qky h GLU 693 Ca 0.15 0.00 0.00 0.00 -1.18 0.00 0.00 59.36 58.33 2qky h GLU 693 Cb -0.05 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 28.54 2qky h GLU 693 CO -0.03 0.00 -0.22 0.09 -1.18 0.00 0.00 179.01 177.67 2qky n ASN 694 N -3.78 0.27 0.14 1.04 3.02 -1.00 -3.51 115.26 111.43 2qky n ASN 694 Ca 0.04 0.21 0.12 0.00 -0.03 0.00 0.00 54.58 54.91 2qky n ASN 694 Cb 0.44 -0.21 0.52 0.00 -0.61 0.00 0.00 39.78 39.92 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 -1.57 0.82 -0.08 3.10 3.72 -0.60 -2.78 117.46 120.05 2qky n PHE 695 Ca 0.06 0.34 0.18 0.00 -0.05 0.00 0.00 57.45 57.99 2qky n PHE 695 Cb 0.35 -1.05 0.61 0.00 -0.94 0.00 0.00 39.48 38.45 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 0.18 -0.04 -1.08 1.57 -1.75 0.21 116.57 115.66 2qky h LYS 696 Ca 0.00 -0.01 0.00 0.00 -1.87 0.00 0.00 60.65 58.77 2qky h LYS 696 Cb 0.29 -0.04 0.00 0.00 0.08 0.00 0.00 32.23 32.56 2qky h LYS 696 CO 0.00 0.12 0.00 1.04 -0.57 0.00 0.00 179.45 180.04 2qky n GLN 697 N -4.42 1.17 -4.14 3.15 6.02 -1.12 -4.90 117.38 113.15 2qky n GLN 697 Ca 0.12 -0.26 -0.15 0.00 -0.01 0.00 0.00 57.00 56.70 2qky n GLN 697 Cb 0.59 -1.29 -0.06 0.00 1.02 0.00 0.00 30.24 30.50 2qky n GLN 697 CO 0.00 0.00 0.00 0.14 -1.01 0.00 0.00 177.06 176.19 2qky s VAL 698 N -1.95 0.00 -0.33 5.09 -7.23 0.06 -4.90 120.40 111.14 2qky s VAL 698 Ca 0.27 -1.72 -0.07 0.00 -1.81 0.00 0.00 61.98 58.65 2qky s VAL 698 Cb 0.13 -2.54 0.03 0.00 0.56 0.00 0.00 36.38 34.55 2qky s VAL 698 CO 0.21 0.00 0.11 -1.61 -0.31 0.00 0.00 175.10 173.50 2qky s GLU 699 N -3.39 2.77 0.37 4.82 2.02 -0.82 -4.96 118.70 119.51 2qky s GLU 699 Ca 0.33 -1.08 0.01 0.00 0.02 0.00 0.00 54.97 54.25 2qky s GLU 699 Cb 0.01 -3.47 -0.02 0.00 0.10 0.00 0.00 34.13 30.75 2qky s GLU 699 CO 0.20 -0.61 0.56 -0.47 0.02 0.00 0.00 175.26 174.96 2qky s TYR 700 N 1.45 3.37 -0.28 1.61 5.04 -1.26 -1.60 117.35 125.68 2qky s TYR 700 Ca -0.00 0.22 0.01 0.00 -2.44 0.00 0.00 57.07 54.86 2qky s TYR 700 Cb -0.19 -2.01 0.17 0.00 0.35 0.00 0.00 41.96 40.28 2qky s TYR 700 CO 0.03 -0.02 0.48 -1.17 -1.34 0.00 0.00 175.55 173.53 2qky s LEU 701 N -4.35 -1.05 -0.18 6.97 2.96 -1.19 -1.75 118.68 120.10 2qky s LEU 701 Ca 0.43 0.14 -0.09 0.00 -0.22 0.00 0.00 54.13 54.39 2qky s LEU 701 Cb -0.10 1.52 -0.05 0.00 0.50 0.00 0.00 46.19 48.07 2qky s LEU 701 CO 0.35 -0.31 0.12 -0.22 -1.32 0.00 0.00 176.35 174.97 2qky s LEU 702 N 2.67 4.16 -0.01 -0.68 2.96 0.10 -1.90 118.68 125.99 2qky s LEU 702 Ca 0.13 0.25 0.02 0.00 -0.22 0.00 0.00 54.13 54.31 2qky s LEU 702 Cb -0.13 -2.06 -0.00 0.00 0.50 0.00 0.00 46.19 44.50 2qky s LEU 702 CO -0.24 0.23 -0.06 -0.63 -1.32 0.00 0.00 176.35 174.33 2qky s ILE 703 N 0.05 0.46 -0.17 6.68 1.01 -1.19 -2.09 121.20 125.94 2qky s ILE 703 Ca 0.09 -0.24 -0.23 0.00 0.00 0.00 0.00 60.65 60.27 2qky s ILE 703 Cb -0.11 -0.39 0.06 0.00 0.01 0.00 0.00 42.46 42.02 2qky s ILE 703 CO -0.00 0.13 0.60 -2.28 0.00 0.00 0.00 174.94 173.39 2qky s HIS 704 N -0.10 -0.62 0.38 3.97 2.46 -1.07 -0.58 115.29 119.73 2qky s HIS 704 Ca 0.02 1.38 -0.24 0.00 0.47 0.00 0.00 55.06 56.69 2qky s HIS 704 Cb -0.03 0.26 -0.10 0.00 -0.13 0.00 0.00 32.58 32.58 2qky s HIS 704 CO -0.00 -0.40 0.96 0.20 -2.47 0.00 0.00 174.74 173.03 2qky s GLY 705 N -0.20 2.63 0.00 1.59 0.00 -1.26 -1.12 107.32 108.95 2qky s GLY 705 Ca -0.04 0.50 0.28 0.00 0.00 0.00 0.00 44.72 45.46 2qky s GLY 705 CO 0.03 0.87 1.79 -1.30 0.00 0.00 0.00 173.10 174.50 2qky n THR 706 N -0.01 0.00 -1.56 0.90 -2.24 -0.71 -3.51 114.28 107.15 2qky n THR 706 Ca 0.04 -0.00 0.03 0.00 -2.27 0.00 0.00 64.05 61.85 2qky n THR 706 Cb 0.52 -0.28 0.21 0.00 -2.10 0.00 0.00 70.33 68.67 2qky n THR 706 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2qky n ALA 707 N -1.47 3.87 -2.24 6.98 0.00 -0.94 -4.64 120.51 122.07 2qky n ALA 707 Ca 0.07 -3.26 -0.40 0.00 0.00 0.00 0.00 53.44 49.85 2qky n ALA 707 Cb 0.33 -0.47 -0.03 0.00 0.00 0.00 0.00 19.45 19.29 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 -3.03 5.65 0.29 0.00 -1.08 -1.16 -4.36 116.67 112.98 2qky s ASP 708 Ca 0.40 0.10 0.14 0.00 -0.52 0.00 0.00 52.55 52.67 2qky s ASP 708 Cb 0.38 -2.54 0.33 0.00 -1.46 0.00 0.00 42.92 39.63 2qky s ASP 708 CO -0.05 -2.13 1.57 -2.24 0.52 0.00 0.00 175.17 172.84 2qky h ASP 709 N 12.97 0.00 0.00 -0.34 2.03 -1.91 -3.17 116.42 126.00 2qky h ASP 709 Ca -0.27 0.00 0.00 0.00 -0.73 0.00 0.00 57.03 56.03 2qky h ASP 709 Cb 1.12 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 39.62 2qky h ASP 709 CO 1.23 0.55 0.00 -3.20 -1.03 0.00 0.00 179.24 176.80 2qky n ASN 710 N -3.49 0.00 -4.35 4.15 2.85 -1.26 -4.53 115.26 108.63 2qky n ASN 710 Ca 0.00 0.20 -0.46 0.00 -0.11 0.00 0.00 54.58 54.21 2qky n ASN 710 Cb 0.65 -0.12 -0.01 0.00 1.24 0.00 0.00 39.78 41.54 2qky n ASN 710 CO 0.00 0.00 0.00 -0.69 -2.11 0.00 0.00 177.26 174.46 2qky s VAL 711 N -0.43 5.70 0.64 3.44 1.01 -1.26 -4.85 120.40 124.65 2qky s VAL 711 Ca 0.00 -2.90 -0.13 0.00 0.00 0.00 0.00 61.98 58.95 2qky s VAL 711 Cb 0.00 -4.60 -0.11 0.00 0.00 0.00 0.00 36.38 31.67 2qky s VAL 711 CO 0.00 -1.19 -0.47 1.41 0.00 0.00 0.00 175.10 174.85 2qky n HIS 712 N 3.66 -3.41 -0.07 5.22 8.25 -1.20 -4.79 115.22 122.89 2qky n HIS 712 Ca 0.22 0.06 -0.04 0.00 -0.26 0.00 0.00 57.72 57.69 2qky n HIS 712 Cb 0.43 -1.08 0.17 0.00 1.12 0.00 0.00 29.99 30.63 2qky n HIS 712 CO 0.00 0.00 0.00 0.35 0.64 0.00 0.00 176.34 177.33 2qky h PHE 713 N -0.56 0.76 -1.43 4.41 3.57 -1.80 -2.46 116.94 119.44 2qky h PHE 713 Ca -0.31 -0.12 0.45 0.00 3.53 0.00 0.00 57.97 61.51 2qky h PHE 713 Cb 0.97 -0.20 -0.09 0.00 2.79 0.00 0.00 35.95 39.41 2qky h PHE 713 CO 0.16 0.76 0.98 0.94 -2.23 0.00 0.00 178.31 178.92 2qky n GLN 714 N -4.19 -0.02 0.05 1.11 7.27 -1.26 -0.59 117.38 119.75 2qky n GLN 714 Ca 0.02 1.00 -0.05 0.00 0.07 0.00 0.00 57.00 58.03 2qky n GLN 714 Cb 0.33 -2.12 0.15 0.00 2.41 0.00 0.00 30.24 31.01 2qky n GLN 714 CO 0.00 0.00 0.00 1.96 0.07 0.00 0.00 177.06 179.09 2qky h GLN 715 N 0.00 0.39 0.01 3.69 4.20 -1.74 -2.74 115.11 118.92 2qky h GLN 715 Ca 0.78 -0.20 -0.31 0.00 0.06 0.00 0.00 58.65 58.98 2qky h GLN 715 Cb 2.82 0.01 -0.05 0.00 0.30 0.00 0.00 27.48 30.56 2qky h GLN 715 CO -0.21 0.76 -1.79 0.43 -0.67 0.00 0.00 178.83 177.35 2qky n SER 716 N -4.00 0.98 0.31 1.46 7.64 0.25 -3.32 113.62 116.93 2qky n SER 716 Ca -0.02 0.36 0.19 0.00 1.01 0.00 0.00 58.87 60.41 2qky n SER 716 Cb 0.52 -0.10 0.99 0.00 -1.01 0.00 0.00 64.21 64.61 2qky n SER 716 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 2qky h ALA 717 N 0.88 1.15 0.00 -0.43 0.00 -1.41 0.23 119.26 119.69 2qky h ALA 717 Ca -0.32 -0.02 -0.10 0.00 0.00 0.00 0.00 54.91 54.47 2qky h ALA 717 Cb 2.03 -0.00 -0.02 0.00 0.00 0.00 0.00 17.79 19.80 2qky h ALA 717 CO 0.08 0.03 -1.35 1.04 0.00 0.00 0.00 179.25 179.05 2qky n GLN 718 N -3.33 0.62 0.04 0.00 1.13 -1.04 -3.00 117.38 111.81 2qky n GLN 718 Ca -0.02 0.14 -0.09 0.00 -1.94 0.00 0.00 57.00 55.09 2qky n GLN 718 Cb 0.14 -1.78 -0.06 0.00 0.11 0.00 0.00 30.24 28.65 2qky n GLN 718 CO 0.00 0.00 0.00 0.82 -1.44 0.00 0.00 177.06 176.44 2qky h ILE 719 N 0.00 0.65 -0.09 5.09 2.04 -0.95 -2.57 117.51 121.67 2qky h ILE 719 Ca -0.10 -1.14 0.04 0.00 1.00 0.00 0.00 64.86 64.65 2qky h ILE 719 Cb 1.35 1.13 -0.06 0.00 -0.74 0.00 0.00 36.82 38.49 2qky h ILE 719 CO 0.02 0.18 -0.40 0.77 0.00 0.00 0.00 178.15 178.73 2qky h SER 720 N -0.95 -1.23 -0.68 1.72 4.64 -0.80 0.15 113.55 116.40 2qky h SER 720 Ca -0.02 0.16 0.20 0.00 -0.47 0.00 0.00 61.79 61.66 2qky h SER 720 Cb 0.46 0.50 -0.03 0.00 -0.31 0.00 0.00 62.40 63.02 2qky h SER 720 CO 0.04 -0.42 0.57 0.50 -0.87 0.00 0.00 176.83 176.64 2qky h LYS 721 N -0.50 0.00 0.00 4.77 3.64 -1.65 0.53 116.57 123.37 2qky h LYS 721 Ca 0.07 0.00 -0.13 0.00 -1.27 0.00 0.00 60.65 59.32 2qky h LYS 721 Cb 0.62 0.00 -0.02 0.00 -0.41 0.00 0.00 32.23 32.42 2qky h LYS 721 CO -0.36 0.00 -0.71 0.00 -2.27 0.00 0.00 179.45 176.11 2qky h ALA 722 N 1.51 0.61 0.13 5.00 0.00 -0.33 -2.76 119.26 123.42 2qky h ALA 722 Ca 0.32 -0.59 -0.25 0.00 0.00 0.00 0.00 54.91 54.39 2qky h ALA 722 Cb 1.45 -0.05 0.01 0.00 0.00 0.00 0.00 17.79 19.20 2qky h ALA 722 CO -0.00 0.78 -1.21 -0.07 0.00 0.00 0.00 179.25 178.74 2qky h LEU 723 N 0.00 0.42 -1.69 0.00 3.38 0.12 -3.28 115.31 114.27 2qky h LEU 723 Ca -0.03 -0.89 0.08 0.00 0.09 0.00 0.00 57.88 57.14 2qky h LEU 723 Cb 1.48 -0.14 -0.03 0.00 0.09 0.00 0.00 40.66 42.07 2qky h LEU 723 CO 0.07 1.55 0.35 0.58 0.09 0.00 0.00 178.44 181.08 2qky h VAL 724 N -0.32 0.92 0.00 1.22 2.07 -0.55 0.15 116.25 119.74 2qky h VAL 724 Ca -0.25 -0.13 -0.10 0.00 0.82 0.00 0.00 66.70 67.04 2qky h VAL 724 Cb 1.73 0.52 -0.01 0.00 -1.52 0.00 0.00 31.29 32.01 2qky h VAL 724 CO 0.09 0.07 -0.47 0.44 0.02 0.00 0.00 177.57 177.72 2qky h ASP 725 N 0.37 0.00 -0.15 0.57 3.32 -1.58 -2.64 116.42 116.31 2qky h ASP 725 Ca 0.23 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.28 2qky h ASP 725 Cb 0.44 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.99 2qky h ASP 725 CO -0.06 0.47 0.00 1.33 -1.72 0.00 0.00 179.24 179.26 2qky n VAL 726 N -3.69 0.18 -2.70 -1.35 0.24 -0.30 -4.99 118.33 105.72 2qky n VAL 726 Ca -0.01 -0.59 -0.06 0.00 -2.04 0.00 0.00 64.34 61.64 2qky n VAL 726 Cb 0.54 1.30 0.03 0.00 -1.47 0.00 0.00 33.84 34.24 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 1.34 -0.77 3.17 7.63 0.00 0.37 -5.00 105.19 111.94 2qky n GLY 727 Ca 0.15 0.32 -0.32 0.00 0.00 0.00 0.00 46.02 46.17 2qky n GLY 727 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2qky s VAL 728 N -3.15 2.01 0.29 1.61 1.01 -0.71 -5.01 120.40 116.45 2qky s VAL 728 Ca 0.18 -0.96 -0.23 0.00 0.00 0.00 0.00 61.98 60.96 2qky s VAL 728 Cb -0.02 -1.78 -0.09 0.00 0.00 0.00 0.00 36.38 34.49 2qky s VAL 728 CO 0.54 0.54 0.87 -0.62 0.00 0.00 0.00 175.10 176.42 2qky s ASP 729 N 0.75 7.21 0.33 3.32 2.15 -1.26 -4.47 116.67 124.69 2qky s ASP 729 Ca -0.09 1.68 -0.17 0.00 0.43 0.00 0.00 52.55 54.39 2qky s ASP 729 Cb -0.16 -2.52 0.03 0.00 -0.30 0.00 0.00 42.92 39.98 2qky s ASP 729 CO -0.00 -0.05 0.73 0.72 -0.17 0.00 0.00 175.17 176.39 2qky s PHE 730 N -1.62 0.04 -0.10 -5.34 -0.71 -1.26 -4.61 117.98 104.38 2qky s PHE 730 Ca 0.48 -0.58 -0.03 0.00 -1.04 0.00 0.00 56.93 55.76 2qky s PHE 730 Cb -0.17 0.70 -0.03 0.00 -1.21 0.00 0.00 43.02 42.30 2qky s PHE 730 CO 0.22 -1.37 0.02 -0.65 -1.34 0.00 0.00 175.22 172.10 2qky s GLN 731 N -3.16 3.12 0.19 1.99 -1.52 -0.71 -4.99 119.66 114.57 2qky s GLN 731 Ca 0.15 -0.37 0.04 0.00 -1.95 0.00 0.00 55.36 53.22 2qky s GLN 731 Cb -0.05 -2.88 -0.05 0.00 -0.22 0.00 0.00 33.01 29.82 2qky s GLN 731 CO 0.10 0.68 -0.04 0.00 -0.25 0.00 0.00 175.29 175.78 2qky s ALA 732 N -0.80 1.61 -0.30 6.09 0.00 -1.26 0.01 121.76 127.12 2qky s ALA 732 Ca 0.12 -1.64 -0.12 0.00 0.00 0.00 0.00 51.96 50.33 2qky s ALA 732 Cb -0.12 0.34 0.18 0.00 0.00 0.00 0.00 23.12 23.53 2qky s ALA 732 CO 0.02 -0.21 0.99 1.41 0.00 0.00 0.00 175.76 177.97 2qky s MET 733 N -3.83 0.25 0.34 0.00 0.00 -0.89 -4.93 119.30 110.23 2qky s MET 733 Ca 0.24 0.44 0.03 0.00 0.00 0.00 0.00 55.69 56.40 2qky s MET 733 Cb 0.05 0.25 -0.02 0.00 0.00 0.00 0.00 34.83 35.10 2qky s MET 733 CO 0.05 -0.26 0.51 1.67 0.00 0.00 0.00 175.02 176.99 2qky s TRP 734 N 2.91 3.37 -0.37 4.11 -2.14 -1.26 -2.59 118.94 122.97 2qky s TRP 734 Ca 0.02 0.13 0.00 0.00 2.66 0.00 0.00 56.10 58.91 2qky s TRP 734 Cb -0.11 -1.90 0.12 0.00 -3.10 0.00 0.00 33.47 28.48 2qky s TRP 734 CO -0.13 0.09 0.19 0.71 -2.66 0.00 0.00 176.95 175.15 2qky s TYR 735 N -2.25 1.43 -0.47 1.66 2.02 -0.28 -4.91 117.35 114.55 2qky s TYR 735 Ca 0.41 -1.90 -0.43 0.00 -0.37 0.00 0.00 57.07 54.77 2qky s TYR 735 Cb -0.09 -1.50 -0.18 0.00 -0.40 0.00 0.00 41.96 39.78 2qky s TYR 735 CO 0.34 -0.82 1.70 2.41 -1.57 0.00 0.00 175.55 177.60 2qky n THR 736 N 4.16 0.00 -1.66 -0.71 -1.04 -1.26 -1.24 114.28 112.53 2qky n THR 736 Ca 0.06 0.00 -0.19 0.00 -2.04 0.00 0.00 64.05 61.88 2qky n THR 736 Cb 0.38 -0.47 -0.07 0.00 -1.82 0.00 0.00 70.33 68.35 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 5.04 -5.30 -4.89 8.00 8.00 -1.26 -4.84 116.55 121.30 2qky n ASP 737 Ca 0.38 0.40 -0.32 0.00 0.71 0.00 0.00 54.79 55.96 2qky n ASP 737 Cb -0.05 -4.44 -0.05 0.00 -0.02 0.00 0.00 41.12 36.56 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 -3.78 3.69 0.00 -1.24 0.41 -0.37 -4.71 118.70 112.69 2qky s GLU 738 Ca 0.00 0.05 0.00 0.00 -0.41 0.00 0.00 54.97 54.61 2qky s GLU 738 Cb 0.00 -2.81 0.00 0.00 -1.78 0.00 0.00 34.13 29.54 2qky s GLU 738 CO 0.00 0.44 0.00 -0.40 -0.49 0.00 0.00 175.26 174.81 2qky n ASP 739 N 0.13 0.00 0.00 -0.19 5.68 -1.26 -2.22 116.55 118.69 2qky n ASP 739 Ca -0.02 0.00 0.10 0.00 -0.50 0.00 0.00 54.79 54.37 2qky n ASP 739 Cb 0.52 0.00 0.51 0.00 -1.14 0.00 0.00 41.12 41.01 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 0.59 2.11 -0.00 -1.26 -2.71 115.22 113.95 2qky n HIS 740 Ca 0.00 0.00 0.07 0.00 -0.00 0.00 0.00 57.72 57.79 2qky n HIS 740 Cb 0.00 -0.28 0.00 0.00 -0.00 0.00 0.00 29.99 29.71 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 0.44 -0.09 3.79 1.57 0.00 -1.26 -4.97 105.19 104.66 2qky n GLY 741 Ca 0.10 -0.39 -0.13 0.00 0.00 0.00 0.00 46.02 45.60 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 -0.10 -0.73 0.95 -0.61 5.41 -1.10 -4.73 119.36 118.45 2qky n ILE 742 Ca 0.06 -0.16 0.11 0.00 1.00 0.00 0.00 62.75 63.76 2qky n ILE 742 Cb 0.29 -0.62 0.07 0.00 -0.71 0.00 0.00 39.64 38.67 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 -2.05 2.75 -1.64 -1.39 0.00 -1.26 -4.03 120.51 112.89 2qky n ALA 743 Ca -0.03 -0.67 -0.47 0.00 0.00 0.00 0.00 53.44 52.27 2qky n ALA 743 Cb 0.16 -0.77 -0.04 0.00 0.00 0.00 0.00 19.45 18.80 2qky n ALA 743 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.50 177.93 2qky n SER 744 N 0.92 2.49 -0.29 0.00 7.64 -1.26 -4.56 113.62 118.55 2qky n SER 744 Ca 0.12 1.11 0.05 0.00 1.01 0.00 0.00 58.87 61.16 2qky n SER 744 Cb 0.54 -1.35 0.14 0.00 -1.01 0.00 0.00 64.21 62.53 2qky n SER 744 CO 0.00 0.00 0.00 -1.28 -3.01 0.00 0.00 175.04 170.75 2qky h SER 745 N 4.95 -0.66 0.11 6.43 0.87 -1.98 1.72 113.55 124.99 2qky h SER 745 Ca -0.45 0.24 -0.18 0.00 -1.23 0.00 0.00 61.79 60.17 2qky h SER 745 Cb 1.29 0.48 -0.00 0.00 -0.44 0.00 0.00 62.40 63.72 2qky h SER 745 CO 0.81 -0.27 -0.67 0.71 -0.53 0.00 0.00 176.83 176.89 2qky h THR 746 N 0.02 1.34 -0.12 2.23 1.35 -1.98 -2.18 112.91 113.56 2qky h THR 746 Ca 0.43 -1.98 -0.22 0.00 -0.55 0.00 0.00 66.41 64.09 2qky h THR 746 Cb 0.71 1.96 0.01 0.00 -1.73 0.00 0.00 68.15 69.09 2qky h THR 746 CO -0.83 0.61 -0.79 0.00 -0.25 0.00 0.00 175.52 174.26 2qky h ALA 747 N 0.89 0.26 -0.51 6.62 0.00 -1.25 0.91 119.26 126.19 2qky h ALA 747 Ca -0.02 -0.61 0.06 0.00 0.00 0.00 0.00 54.91 54.34 2qky h ALA 747 Cb 1.24 -0.00 -0.05 0.00 0.00 0.00 0.00 17.79 18.97 2qky h ALA 747 CO 0.12 0.65 0.22 1.25 0.00 0.00 0.00 179.25 181.49 2qky h HIS 748 N 0.47 0.41 0.00 0.00 2.76 0.25 1.71 115.15 120.74 2qky h HIS 748 Ca -0.06 0.02 -0.09 0.00 -2.20 0.00 0.00 60.37 58.04 2qky h HIS 748 Cb 1.43 -0.11 -0.01 0.00 1.55 0.00 0.00 27.41 30.27 2qky h HIS 748 CO 0.09 0.17 -0.43 1.96 -1.30 0.00 0.00 177.93 178.43 2qky h GLN 749 N 0.44 0.00 0.01 5.26 4.20 -1.30 -2.89 115.11 120.83 2qky h GLN 749 Ca 0.23 0.00 -0.00 0.00 0.06 0.00 0.00 58.65 58.94 2qky h GLN 749 Cb 0.19 0.00 0.00 0.00 0.30 0.00 0.00 27.48 27.97 2qky h GLN 749 CO -0.20 0.43 -0.01 1.25 -0.67 0.00 0.00 178.83 179.63 2qky h HIS 750 N 0.00 -0.01 -0.74 2.96 2.76 0.19 -2.86 115.15 117.45 2qky h HIS 750 Ca -0.00 -0.00 0.09 0.00 -2.20 0.00 0.00 60.37 58.25 2qky h HIS 750 Cb 0.78 0.00 -0.07 0.00 1.55 0.00 0.00 27.41 29.67 2qky h HIS 750 CO 0.00 0.77 0.39 0.97 -1.30 0.00 0.00 177.93 178.77 2qky h ILE 751 N -0.95 0.89 0.00 6.26 2.10 0.23 -1.17 117.51 124.88 2qky h ILE 751 Ca -0.00 -0.23 -0.10 0.00 1.08 0.00 0.00 64.86 65.61 2qky h ILE 751 Cb 0.79 0.15 -0.01 0.00 -1.09 0.00 0.00 36.82 36.66 2qky h ILE 751 CO 0.00 0.12 -0.48 1.88 -1.08 0.00 0.00 178.15 178.59 2qky h TYR 752 N 0.68 0.00 -0.10 2.19 0.05 -1.63 -1.70 116.97 116.45 2qky h TYR 752 Ca 0.36 0.00 -0.07 0.00 0.05 0.00 0.00 58.73 59.06 2qky h TYR 752 Cb 0.33 0.00 0.00 0.00 1.01 0.00 0.00 36.73 38.07 2qky h TYR 752 CO -0.09 0.48 -0.23 1.15 -1.05 0.00 0.00 178.16 178.43 2qky h THR 753 N 0.00 1.39 -0.99 -2.88 2.02 -1.16 -1.93 112.91 109.37 2qky h THR 753 Ca -0.00 -1.53 0.01 0.00 0.77 0.00 0.00 66.41 65.66 2qky h THR 753 Cb 0.94 2.13 -0.05 0.00 -1.74 0.00 0.00 68.15 69.43 2qky h THR 753 CO 0.06 0.44 0.65 -0.74 0.37 0.00 0.00 175.52 176.31 2qky h HIS 754 N -0.11 1.24 -0.39 3.16 -0.00 -1.14 -2.28 115.15 115.63 2qky h HIS 754 Ca 0.00 0.03 -0.15 0.00 -0.00 0.00 0.00 60.37 60.25 2qky h HIS 754 Cb 0.82 -0.42 -0.01 0.00 -0.00 0.00 0.00 27.41 27.80 2qky h HIS 754 CO 0.11 0.78 -0.33 0.52 -0.00 0.00 0.00 177.93 179.01 2qky h MET 755 N 1.34 0.88 -0.28 5.26 2.07 -1.33 -2.86 114.93 120.00 2qky h MET 755 Ca 0.36 -0.43 0.06 0.00 -2.07 0.00 0.00 59.70 57.62 2qky h MET 755 Cb -0.15 -0.00 -0.05 0.00 -1.87 0.00 0.00 31.60 29.52 2qky h MET 755 CO -0.08 1.08 -0.07 0.77 1.07 0.00 0.00 176.91 179.68 2qky h SER 756 N 0.73 -0.27 -0.70 1.22 0.02 -0.80 -1.66 113.55 112.09 2qky h SER 756 Ca 0.07 0.08 0.03 0.00 -0.84 0.00 0.00 61.79 61.14 2qky h SER 756 Cb 0.90 0.18 -0.04 0.00 0.14 0.00 0.00 62.40 63.58 2qky h SER 756 CO 0.08 -0.09 0.44 0.45 -1.14 0.00 0.00 176.83 176.57 2qky h HIS 757 N -0.00 0.83 -0.53 3.45 3.86 -1.35 -1.37 115.15 120.02 2qky h HIS 757 Ca 0.13 0.02 0.05 0.00 -1.16 0.00 0.00 60.37 59.41 2qky h HIS 757 Cb 0.21 -0.27 -0.05 0.00 1.06 0.00 0.00 27.41 28.36 2qky h HIS 757 CO -0.27 0.47 0.28 0.35 0.86 0.00 0.00 177.93 179.62 2qky h PHE 758 N 0.86 0.51 -0.05 2.45 3.57 -1.19 -1.30 116.94 121.79 2qky h PHE 758 Ca 0.28 0.02 -0.00 0.00 3.53 0.00 0.00 57.97 61.80 2qky h PHE 758 Cb 0.02 -0.15 -0.00 0.00 2.79 0.00 0.00 35.95 38.60 2qky h PHE 758 CO -0.04 0.25 0.02 0.82 -2.23 0.00 0.00 178.31 177.13 2qky h ILE 759 N 0.54 1.17 -0.38 1.41 1.08 -0.93 -0.04 117.51 120.35 2qky h ILE 759 Ca 0.23 -0.50 0.08 0.00 -0.39 0.00 0.00 64.86 64.28 2qky h ILE 759 Cb 0.13 1.41 -0.09 0.00 -3.07 0.00 0.00 36.82 35.21 2qky h ILE 759 CO -0.16 0.14 -0.24 0.11 -0.69 0.00 0.00 178.15 177.31 2qky h LYS 760 N -0.11 -0.18 -0.29 2.37 1.79 -0.91 0.60 116.57 119.84 2qky h LYS 760 Ca 0.02 0.01 -0.14 0.00 -2.18 0.00 0.00 60.65 58.36 2qky h LYS 760 Cb 0.21 0.04 -0.01 0.00 -1.58 0.00 0.00 32.23 30.89 2qky h LYS 760 CO -0.00 -0.12 -0.40 0.37 -1.08 0.00 0.00 179.45 178.22 2qky h GLN 761 N -0.18 0.69 -0.95 3.15 -0.00 -1.24 0.54 115.11 117.12 2qky h GLN 761 Ca 0.18 -0.36 0.02 0.00 -0.00 0.00 0.00 58.65 58.50 2qky h GLN 761 Cb 0.47 0.01 -0.05 0.00 0.00 0.00 0.00 27.48 27.91 2qky h GLN 761 CO -0.49 0.97 0.63 0.00 0.00 0.00 0.00 178.83 179.94 2qky n PHE 763 N -4.41 1.36 -2.65 0.00 3.72 0.20 -4.98 117.46 110.70 2qky n PHE 763 Ca 0.12 -0.60 -0.09 0.00 -0.05 0.00 0.00 57.45 56.83 2qky n PHE 763 Cb 0.06 -0.20 -0.02 0.00 -0.94 0.00 0.00 39.48 38.37 2qky n PHE 763 CO 0.00 0.00 0.00 -1.13 -0.05 0.00 0.00 176.76 175.58 2qky n SER 764 N 1.15 -0.07 0.10 4.37 3.41 0.19 -4.82 113.62 117.94 2qky n SER 764 Ca 0.25 -0.32 -0.14 0.00 -0.26 0.00 0.00 58.87 58.40 2qky n SER 764 Cb 0.84 -0.40 -0.07 0.00 -0.26 0.00 0.00 64.21 64.31 2qky n SER 764 CO 0.00 0.00 0.00 -0.07 -0.16 0.00 0.00 175.04 174.81 2qky h LEU 765 N 0.06 -1.27 0.00 1.04 -0.00 -1.84 -3.50 115.31 109.82 2qky h LEU 765 Ca -0.16 0.14 0.00 0.00 -0.00 0.00 0.00 57.88 57.86 2qky h LEU 765 Cb 0.35 0.48 0.00 0.00 -0.00 0.00 0.00 40.66 41.49 2qky h LEU 765 CO 0.20 -0.48 0.00 -0.81 -0.00 0.00 0.00 178.44 177.35