#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1cqe s PRO 32 N 0.00 4.39 0.16 0.00 0.02 -1.26 -4.98 135.00 133.33 1cqe s PRO 32 Ca 0.00 1.82 -0.31 0.00 0.02 0.00 0.00 61.00 62.53 1cqe s PRO 32 Cb 0.00 -3.38 -0.09 0.00 0.02 0.00 0.00 34.50 31.06 1cqe s PRO 32 CO 0.00 -0.33 1.38 0.14 -0.33 0.00 0.00 177.00 177.86 1cqe s VAL 33 N 1.31 3.17 -0.32 3.83 -7.23 -1.26 -4.89 120.40 115.01 1cqe s VAL 33 Ca 0.60 0.89 -0.35 0.00 -1.81 0.00 0.00 61.98 61.31 1cqe s VAL 33 Cb -0.30 -3.57 -0.11 0.00 0.56 0.00 0.00 36.38 32.96 1cqe s VAL 33 CO 0.28 0.10 2.15 -3.20 -0.31 0.00 0.00 175.10 174.12 1cqe n ASN 34 N 3.36 2.32 0.26 4.85 2.85 -1.26 -4.78 115.26 122.86 1cqe n ASN 34 Ca 0.09 0.47 0.17 0.00 -0.11 0.00 0.00 54.58 55.20 1cqe n ASN 34 Cb 0.42 -1.29 0.83 0.00 1.24 0.00 0.00 39.78 40.98 1cqe n ASN 34 CO 0.00 0.00 0.00 1.55 -2.11 0.00 0.00 177.26 176.70 1cqe h PRO 35 N 12.13 0.00 -0.00 1.20 0.13 -1.88 0.15 132.00 143.72 1cqe h PRO 35 Ca -0.31 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.82 1cqe h PRO 35 Cb 1.31 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.44 1cqe h PRO 35 CO 1.01 0.00 -0.08 0.00 -0.23 0.00 0.00 178.00 178.69 1cqe n TYR 38 N -3.13 0.00 -3.88 0.00 4.01 -1.13 -3.82 117.16 109.21 1cqe n TYR 38 Ca 0.02 0.00 -0.27 0.00 -0.16 0.00 0.00 57.90 57.48 1cqe n TYR 38 Cb 0.41 -0.02 -0.00 0.00 -0.31 0.00 0.00 39.34 39.41 1cqe n TYR 38 CO 0.00 0.00 0.00 0.66 -0.46 0.00 0.00 176.86 177.06 1cqe n TYR 39 N -0.77 -1.71 -0.26 -0.72 4.01 -0.85 -4.88 117.16 111.98 1cqe n TYR 39 Ca 0.22 0.65 -0.02 0.00 -0.16 0.00 0.00 57.90 58.59 1cqe n TYR 39 Cb 0.17 -3.66 0.09 0.00 -0.31 0.00 0.00 39.34 35.63 1cqe n TYR 39 CO 0.00 0.00 0.00 -1.00 -0.46 0.00 0.00 176.86 175.40 1cqe h PRO 40 N -1.88 0.86 -6.42 -0.72 0.13 -1.81 -3.43 132.00 118.73 1cqe h PRO 40 Ca -0.64 -0.05 -0.57 0.00 -0.87 0.00 0.00 66.00 63.87 1cqe h PRO 40 Cb 1.37 -0.19 -0.05 0.00 0.13 0.00 0.00 31.00 32.26 1cqe h PRO 40 CO 0.58 0.57 1.05 0.00 -0.23 0.00 0.00 178.00 179.97 1cqe s GLN 42 N 4.65 2.17 -1.53 0.00 -1.52 0.30 -4.29 119.66 119.44 1cqe s GLN 42 Ca 0.62 -0.05 -0.07 0.00 -1.95 0.00 0.00 55.36 53.91 1cqe s GLN 42 Cb -0.17 -2.08 0.06 0.00 -0.22 0.00 0.00 33.01 30.61 1cqe s GLN 42 CO 0.29 -1.35 0.50 0.72 -0.25 0.00 0.00 175.29 175.20 1cqe n HIS 43 N -3.08 -1.64 -0.98 0.91 8.25 -1.26 -1.69 115.22 115.73 1cqe n HIS 43 Ca 0.08 0.75 0.00 0.00 -0.26 0.00 0.00 57.72 58.29 1cqe n HIS 43 Cb 0.60 -3.34 0.00 0.00 1.12 0.00 0.00 29.99 28.37 1cqe n HIS 43 CO 0.00 0.00 0.00 1.04 0.64 0.00 0.00 176.34 178.02 1cqe n GLN 44 N -4.42 -0.64 -2.19 -0.41 6.02 -1.26 -4.76 117.38 109.71 1cqe n GLN 44 Ca -0.17 0.16 -0.37 0.00 -0.01 0.00 0.00 57.00 56.61 1cqe n GLN 44 Cb 0.62 -3.66 -0.00 0.00 1.02 0.00 0.00 30.24 28.21 1cqe n GLN 44 CO 0.00 0.00 0.00 0.20 -1.01 0.00 0.00 177.06 176.25 1cqe s GLY 45 N -2.00 2.81 -0.16 1.08 0.00 -0.68 -4.95 107.32 103.42 1cqe s GLY 45 Ca 0.00 1.00 -0.17 0.00 0.00 0.00 0.00 44.72 45.55 1cqe s GLY 45 CO 0.00 1.48 0.43 -0.42 0.00 0.00 0.00 173.10 174.59 1cqe s ILE 46 N -1.49 5.20 -0.58 0.90 1.09 0.32 -4.71 121.20 121.93 1cqe s ILE 46 Ca 0.64 0.82 -0.24 0.00 -1.10 0.00 0.00 60.65 60.77 1cqe s ILE 46 Cb -0.31 -3.77 0.05 0.00 -1.06 0.00 0.00 42.46 37.37 1cqe s ILE 46 CO 0.37 0.30 0.97 0.00 -0.10 0.00 0.00 174.94 176.48 1cqe s VAL 48 N 4.07 5.19 -0.02 0.00 1.01 0.28 -4.89 120.40 126.03 1cqe s VAL 48 Ca 0.29 0.11 -0.25 0.00 0.00 0.00 0.00 61.98 62.13 1cqe s VAL 48 Cb -0.13 -3.35 -0.04 0.00 0.00 0.00 0.00 36.38 32.86 1cqe s VAL 48 CO 0.17 0.46 0.77 -0.60 0.00 0.00 0.00 175.10 175.90 1cqe s ARG 49 N 0.23 4.47 0.09 2.72 3.52 -1.26 0.13 118.95 128.84 1cqe s ARG 49 Ca 0.07 1.03 0.08 0.00 -0.13 0.00 0.00 55.73 56.77 1cqe s ARG 49 Cb -0.12 -3.43 -0.03 0.00 -1.56 0.00 0.00 34.95 29.82 1cqe s ARG 49 CO -0.01 0.11 -0.20 -0.06 -0.81 0.00 0.00 175.30 174.33 1cqe s PHE 50 N 0.59 1.73 0.00 5.12 0.40 -0.62 -4.90 117.98 120.30 1cqe s PHE 50 Ca 0.40 -0.41 0.00 0.00 -0.60 0.00 0.00 56.93 56.32 1cqe s PHE 50 Cb -0.19 -0.97 0.00 0.00 0.51 0.00 0.00 43.02 42.37 1cqe s PHE 50 CO 0.21 0.17 0.00 0.41 0.70 0.00 0.00 175.22 176.71 1cqe n GLY 51 N 1.27 0.92 0.07 4.36 0.00 -1.26 -0.99 105.19 109.56 1cqe n GLY 51 Ca -0.19 -0.78 0.11 0.00 0.00 0.00 0.00 46.02 45.16 1cqe n GLY 51 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1cqe n LEU 52 N 0.00 0.59 0.00 0.99 4.77 -1.26 -4.55 117.00 117.54 1cqe n LEU 52 Ca 0.00 0.17 0.00 0.00 -0.03 0.00 0.00 56.01 56.15 1cqe n LEU 52 Cb 0.00 -0.06 0.00 0.00 -2.33 0.00 0.00 43.42 41.03 1cqe n LEU 52 CO 0.00 -0.09 0.01 -0.90 -1.33 0.00 0.00 177.39 175.08 1cqe n ASP 53 N -2.41 0.04 -4.81 -1.43 5.75 -1.25 -4.89 116.55 107.56 1cqe n ASP 53 Ca -0.00 -0.25 -0.22 0.00 -0.01 0.00 0.00 54.79 54.30 1cqe n ASP 53 Cb 0.53 0.22 0.08 0.00 -1.03 0.00 0.00 41.12 40.92 1cqe n ASP 53 CO 0.00 0.00 0.00 -0.13 -0.11 0.00 0.00 177.20 176.96 1cqe s ARG 54 N -0.22 1.99 0.19 0.11 3.00 -0.16 -4.76 118.95 119.10 1cqe s ARG 54 Ca 0.00 -1.13 -0.20 0.00 0.00 0.00 0.00 55.73 54.40 1cqe s ARG 54 Cb 0.00 -2.43 0.04 0.00 0.00 0.00 0.00 34.95 32.56 1cqe s ARG 54 CO 0.00 -1.17 0.56 1.52 0.00 0.00 0.00 175.30 176.21 1cqe s TYR 55 N -2.96 -0.27 -0.07 -0.53 -0.85 -1.26 -1.59 117.35 109.82 1cqe s TYR 55 Ca 0.63 -0.05 -0.08 0.00 -0.52 0.00 0.00 57.07 57.05 1cqe s TYR 55 Cb -0.07 0.47 0.02 0.00 0.38 0.00 0.00 41.96 42.77 1cqe s TYR 55 CO 0.42 -0.92 0.22 -0.65 -1.52 0.00 0.00 175.55 173.10 1cqe s GLN 56 N -3.83 0.31 -0.23 -3.49 -0.21 0.34 -4.80 119.66 107.75 1cqe s GLN 56 Ca 0.06 0.20 -0.11 0.00 0.02 0.00 0.00 55.36 55.54 1cqe s GLN 56 Cb -0.01 0.15 -0.05 0.00 1.00 0.00 0.00 33.01 34.09 1cqe s GLN 56 CO -0.06 -0.05 0.16 0.00 -2.12 0.00 0.00 175.29 173.22 1cqe s ASP 58 N 0.86 6.29 -0.14 0.00 2.15 0.25 -4.80 116.67 121.28 1cqe s ASP 58 Ca 0.08 -1.49 0.11 0.00 0.43 0.00 0.00 52.55 51.68 1cqe s ASP 58 Cb -0.13 -2.35 0.56 0.00 -0.30 0.00 0.00 42.92 40.70 1cqe s ASP 58 CO 0.03 -1.17 1.38 0.00 -0.17 0.00 0.00 175.17 175.23 1cqe n THR 60 N 0.54 0.40 -2.93 0.00 -1.04 -1.26 -1.40 114.28 108.58 1cqe n THR 60 Ca 0.19 -0.07 -0.21 0.00 -2.04 0.00 0.00 64.05 61.92 1cqe n THR 60 Cb 0.83 -1.49 0.02 0.00 -1.82 0.00 0.00 70.33 67.87 1cqe n THR 60 CO 0.00 0.00 0.00 0.54 -0.64 0.00 0.00 175.07 174.97 1cqe n ARG 61 N 5.70 -3.88 0.02 -2.82 1.74 -1.26 -4.87 116.66 111.29 1cqe n ARG 61 Ca 0.24 0.82 0.11 0.00 -0.77 0.00 0.00 57.85 58.26 1cqe n ARG 61 Cb 0.21 -5.61 0.01 0.00 -1.02 0.00 0.00 32.46 26.05 1cqe n ARG 61 CO 0.00 0.00 0.00 0.25 -1.52 0.00 0.00 177.63 176.36 1cqe n THR 62 N -4.24 0.13 -0.92 0.55 -2.24 -0.50 -4.94 114.28 102.13 1cqe n THR 62 Ca -0.12 -0.22 0.00 0.00 -2.27 0.00 0.00 64.05 61.44 1cqe n THR 62 Cb 0.62 0.29 0.00 0.00 -2.10 0.00 0.00 70.33 69.14 1cqe n THR 62 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1cqe n GLY 63 N 1.38 0.52 3.02 3.38 0.00 -1.26 -5.00 105.19 107.23 1cqe n GLY 63 Ca 0.02 -0.14 -0.14 0.00 0.00 0.00 0.00 46.02 45.76 1cqe n GLY 63 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1cqe s TYR 64 N -2.00 0.59 0.29 1.61 1.51 -1.26 -2.22 117.35 115.87 1cqe s TYR 64 Ca 0.00 -0.32 0.00 0.00 -1.01 0.00 0.00 57.07 55.74 1cqe s TYR 64 Cb 0.00 -0.36 -0.00 0.00 -0.11 0.00 0.00 41.96 41.49 1cqe s TYR 64 CO 0.00 -0.05 0.00 -1.13 -1.11 0.00 0.00 175.55 173.26 1cqe n SER 65 N 2.11 2.77 0.00 2.29 3.41 0.23 -4.79 113.62 119.63 1cqe n SER 65 Ca -0.18 -2.26 0.00 0.00 -0.26 0.00 0.00 58.87 56.17 1cqe n SER 65 Cb 0.56 0.21 0.00 0.00 -0.26 0.00 0.00 64.21 64.72 1cqe n SER 65 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1cqe n GLY 66 N 1.56 1.02 0.36 5.00 0.00 -1.26 -0.79 105.19 111.07 1cqe n GLY 66 Ca -0.12 -1.96 -0.01 0.00 0.00 0.00 0.00 46.02 43.93 1cqe n GLY 66 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 1cqe h PRO 67 N 0.00 1.12 -0.26 1.61 0.11 -1.99 -3.08 132.00 129.50 1cqe h PRO 67 Ca 0.00 -0.09 0.00 0.00 0.11 0.00 0.00 66.00 66.02 1cqe h PRO 67 Cb 0.00 -0.24 0.00 0.00 0.11 0.00 0.00 31.00 30.87 1cqe h PRO 67 CO 0.00 0.77 0.00 0.09 -0.21 0.00 0.00 178.00 178.65 1cqe n ASN 68 N -4.38 3.60 -3.22 -2.05 3.02 -1.26 -4.02 115.26 106.94 1cqe n ASN 68 Ca 0.09 -2.79 -0.15 0.00 -0.03 0.00 0.00 54.58 51.70 1cqe n ASN 68 Cb 0.05 -0.47 0.08 0.00 -0.61 0.00 0.00 39.78 38.83 1cqe n ASN 68 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1cqe n THR 70 N -3.56 0.01 -3.04 0.00 -2.24 -0.54 -4.22 114.28 100.69 1cqe n THR 70 Ca -0.18 -0.06 -0.43 0.00 -2.27 0.00 0.00 64.05 61.11 1cqe n THR 70 Cb 0.64 0.37 -0.06 0.00 -2.10 0.00 0.00 70.33 69.18 1cqe n THR 70 CO 0.00 0.00 0.00 -0.63 -0.57 0.00 0.00 175.07 173.87 1cqe s ILE 71 N -2.18 4.72 0.72 2.28 1.01 0.02 -4.86 121.20 122.90 1cqe s ILE 71 Ca -0.01 0.05 -0.11 0.00 0.00 0.00 0.00 60.65 60.58 1cqe s ILE 71 Cb 0.02 -4.32 0.02 0.00 0.01 0.00 0.00 42.46 38.19 1cqe s ILE 71 CO 0.11 -0.78 1.07 -2.16 0.00 0.00 0.00 174.94 173.18 1cqe s PRO 72 N 3.09 2.76 0.26 2.79 0.04 -1.26 0.74 135.00 143.42 1cqe s PRO 72 Ca 0.24 0.93 -0.05 0.00 0.04 0.00 0.00 61.00 62.16 1cqe s PRO 72 Cb -0.15 -1.97 -0.05 0.00 0.04 0.00 0.00 34.50 32.37 1cqe s PRO 72 CO 0.18 -1.22 0.52 -1.21 0.04 0.00 0.00 177.00 175.31 1cqe s GLU 73 N -5.04 3.63 0.33 4.56 2.02 -0.94 -4.84 118.70 118.41 1cqe s GLU 73 Ca 0.59 -0.02 0.10 0.00 0.02 0.00 0.00 54.97 55.66 1cqe s GLU 73 Cb -0.14 -2.68 0.99 0.00 0.10 0.00 0.00 34.13 32.39 1cqe s GLU 73 CO 0.55 0.26 1.63 0.97 0.02 0.00 0.00 175.26 178.69 1cqe h ILE 74 N 1.47 0.20 -0.18 -1.63 6.09 -1.97 0.37 117.51 121.85 1cqe h ILE 74 Ca -0.48 -0.06 -0.18 0.00 -1.37 0.00 0.00 64.86 62.78 1cqe h ILE 74 Cb 1.19 0.01 0.01 0.00 0.47 0.00 0.00 36.82 38.49 1cqe h ILE 74 CO 0.67 0.03 -0.57 -0.50 -3.07 0.00 0.00 178.15 174.71 1cqe h TRP 75 N 0.17 0.93 -0.55 2.19 4.06 -1.97 -1.30 115.95 119.48 1cqe h TRP 75 Ca 0.69 -0.37 -0.01 0.00 2.06 0.00 0.00 58.89 61.25 1cqe h TRP 75 Cb 1.57 -0.16 -0.03 0.00 -1.00 0.00 0.00 29.16 29.55 1cqe h TRP 75 CO -0.16 1.18 0.29 1.15 -3.56 0.00 0.00 178.44 177.34 1cqe h THR 76 N 0.41 1.18 0.00 1.49 2.02 -0.75 -0.12 112.91 117.14 1cqe h THR 76 Ca -0.02 -0.47 -0.00 0.00 0.77 0.00 0.00 66.41 66.69 1cqe h THR 76 Cb 1.19 0.45 0.00 0.00 -1.74 0.00 0.00 68.15 68.05 1cqe h THR 76 CO 0.12 0.20 -0.00 -0.25 0.37 0.00 0.00 175.52 175.96 1cqe h TRP 77 N 0.77 -0.00 0.70 3.16 7.01 -0.30 -1.75 115.95 125.54 1cqe h TRP 77 Ca 0.20 -0.00 -0.03 0.00 2.11 0.00 0.00 58.89 61.17 1cqe h TRP 77 Cb 0.05 0.00 -0.01 0.00 -2.10 0.00 0.00 29.16 27.10 1cqe h TRP 77 CO 0.01 0.24 -0.46 -0.07 -2.79 0.00 0.00 178.44 175.37 1cqe h LEU 78 N -0.24 -1.17 -0.88 0.65 3.38 -0.46 -0.77 115.31 115.81 1cqe h LEU 78 Ca -0.00 0.07 0.16 0.00 0.09 0.00 0.00 57.88 58.20 1cqe h LEU 78 Cb 0.24 0.35 -0.16 0.00 0.09 0.00 0.00 40.66 41.18 1cqe h LEU 78 CO 0.00 -0.69 -0.27 0.03 0.09 0.00 0.00 178.44 177.60 1cqe h ARG 79 N -1.09 -0.02 -0.08 1.13 3.08 -1.02 0.17 114.38 116.55 1cqe h ARG 79 Ca -0.09 0.00 -0.02 0.00 0.07 0.00 0.00 59.98 59.94 1cqe h ARG 79 Cb 0.88 0.00 -0.00 0.00 0.08 0.00 0.00 29.97 30.93 1cqe h ARG 79 CO 0.08 -0.01 -0.03 1.79 -1.07 0.00 0.00 179.97 180.72 1cqe h THR 80 N -0.02 1.32 0.00 2.04 1.35 -1.20 -2.55 112.91 113.85 1cqe h THR 80 Ca 0.39 -1.02 0.00 0.00 -0.55 0.00 0.00 66.41 65.23 1cqe h THR 80 Cb 0.63 1.84 0.00 0.00 -1.73 0.00 0.00 68.15 68.89 1cqe h THR 80 CO -0.91 0.28 0.00 0.35 -0.25 0.00 0.00 175.52 175.00 1cqe n THR 81 N -4.77 1.33 0.31 6.82 -2.24 -0.18 -1.69 114.28 113.85 1cqe n THR 81 Ca -0.07 0.33 0.06 0.00 -2.27 0.00 0.00 64.05 62.10 1cqe n THR 81 Cb 0.25 -1.16 0.08 0.00 -2.10 0.00 0.00 70.33 67.40 1cqe n THR 81 CO 0.00 0.00 0.00 0.18 -0.57 0.00 0.00 175.07 174.68 1cqe n LEU 82 N -1.50 2.24 -4.60 3.22 4.77 0.42 -4.96 117.00 116.60 1cqe n LEU 82 Ca 0.02 -1.27 -0.42 0.00 -0.03 0.00 0.00 56.01 54.32 1cqe n LEU 82 Cb 0.11 -0.06 -0.05 0.00 -2.33 0.00 0.00 43.42 41.09 1cqe n LEU 82 CO 0.09 0.47 0.63 -0.60 -1.33 0.00 0.00 177.39 176.65 1cqe s ARG 83 N -0.98 3.84 0.49 3.23 3.52 -0.68 -5.02 118.95 123.35 1cqe s ARG 83 Ca 0.17 0.47 -0.23 0.00 -0.13 0.00 0.00 55.73 56.01 1cqe s ARG 83 Cb 0.11 -3.78 -0.06 0.00 -1.56 0.00 0.00 34.95 29.65 1cqe s ARG 83 CO 0.15 -0.82 1.26 -1.25 -0.81 0.00 0.00 175.30 173.83 1cqe s PRO 84 N 3.15 3.52 0.86 5.12 0.04 -1.26 -4.96 135.00 141.47 1cqe s PRO 84 Ca 0.33 2.01 -0.11 0.00 0.04 0.00 0.00 61.00 63.27 1cqe s PRO 84 Cb -0.13 -2.38 0.11 0.00 0.04 0.00 0.00 34.50 32.14 1cqe s PRO 84 CO 0.16 -0.81 1.16 -1.54 0.04 0.00 0.00 177.00 176.00 1cqe s SER 85 N -1.13 3.32 0.28 6.66 1.04 -1.26 -4.75 113.70 117.87 1cqe s SER 85 Ca 0.66 2.21 0.00 0.00 0.48 0.00 0.00 55.95 59.30 1cqe s SER 85 Cb -0.34 -2.57 0.53 0.00 0.10 0.00 0.00 66.02 63.74 1cqe s SER 85 CO 0.42 -2.84 1.83 -0.65 0.98 0.00 0.00 173.24 172.98 1cqe h PRO 86 N -1.46 0.92 -0.49 4.02 0.11 -1.97 -0.27 132.00 132.86 1cqe h PRO 86 Ca -0.44 -0.06 -0.12 0.00 0.11 0.00 0.00 66.00 65.50 1cqe h PRO 86 Cb 1.27 -0.21 -0.01 0.00 0.11 0.00 0.00 31.00 32.16 1cqe h PRO 86 CO 0.44 0.61 -0.15 0.77 -0.21 0.00 0.00 178.00 179.47 1cqe h SER 87 N 0.95 0.97 -0.31 -2.05 0.02 -1.98 -0.22 113.55 110.93 1cqe h SER 87 Ca 0.48 -0.37 -0.03 0.00 -0.84 0.00 0.00 61.79 61.03 1cqe h SER 87 Cb 0.48 -0.27 -0.01 0.00 0.14 0.00 0.00 62.40 62.75 1cqe h SER 87 CO -0.27 1.12 0.08 0.15 -1.14 0.00 0.00 176.83 176.77 1cqe h PHE 88 N 0.81 0.52 0.15 3.45 3.57 -1.44 -2.14 116.94 121.87 1cqe h PHE 88 Ca 0.12 -0.06 -0.01 0.00 3.53 0.00 0.00 57.97 61.55 1cqe h PHE 88 Cb 0.71 -0.15 0.00 0.00 2.79 0.00 0.00 35.95 39.31 1cqe h PHE 88 CO 0.05 0.55 -0.07 0.82 -2.23 0.00 0.00 178.31 177.42 1cqe h ILE 89 N 0.34 0.85 -0.93 1.41 1.08 -1.15 -2.54 117.51 116.57 1cqe h ILE 89 Ca 0.10 -0.01 0.22 0.00 -0.39 0.00 0.00 64.86 64.78 1cqe h ILE 89 Cb 0.29 0.85 -0.07 0.00 -3.07 0.00 0.00 36.82 34.83 1cqe h ILE 89 CO 0.00 0.00 0.62 -0.74 -0.69 0.00 0.00 178.15 177.34 1cqe h HIS 90 N -0.21 0.49 0.72 1.37 2.76 -0.88 -1.53 115.15 117.88 1cqe h HIS 90 Ca -0.02 0.02 -0.04 0.00 -2.20 0.00 0.00 60.37 58.13 1cqe h HIS 90 Cb 0.16 -0.15 0.01 0.00 1.55 0.00 0.00 27.41 28.98 1cqe h HIS 90 CO -0.07 0.11 -0.35 0.35 -1.30 0.00 0.00 177.93 176.68 1cqe h PHE 91 N 0.35 -0.90 -0.95 5.26 3.04 -0.98 -2.80 116.94 119.96 1cqe h PHE 91 Ca 0.49 -0.02 0.14 0.00 3.98 0.00 0.00 57.97 62.55 1cqe h PHE 91 Cb 1.30 0.30 -0.08 0.00 2.56 0.00 0.00 35.95 40.03 1cqe h PHE 91 CO -0.00 -0.54 0.60 -0.07 -2.02 0.00 0.00 178.31 176.28 1cqe h LEU 92 N -1.17 0.79 -1.26 0.59 3.38 -1.04 -1.89 115.31 114.71 1cqe h LEU 92 Ca -0.10 0.05 -0.02 0.00 0.09 0.00 0.00 57.88 57.90 1cqe h LEU 92 Cb 0.77 -0.11 -0.00 0.00 0.09 0.00 0.00 40.66 41.41 1cqe h LEU 92 CO 0.16 0.40 -0.08 -0.07 0.09 0.00 0.00 178.44 178.95 1cqe h LEU 93 N 0.83 0.00 -3.06 1.67 3.38 -1.29 -3.06 115.31 113.80 1cqe h LEU 93 Ca 0.48 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.45 1cqe h LEU 93 Cb 0.62 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.37 1cqe h LEU 93 CO -0.24 0.08 0.00 0.35 0.09 0.00 0.00 178.44 178.72 1cqe n THR 94 N -3.20 1.58 -4.14 0.22 -2.24 -0.76 -0.10 114.28 105.64 1cqe n THR 94 Ca 0.01 -1.38 -0.10 0.00 -2.27 0.00 0.00 64.05 60.31 1cqe n THR 94 Cb 0.36 0.16 -0.10 0.00 -2.10 0.00 0.00 70.33 68.65 1cqe n THR 94 CO 0.00 0.00 0.00 -1.00 -0.57 0.00 0.00 175.07 173.50 1cqe s HIS 95 N -1.81 0.78 -0.34 4.78 3.76 -0.89 -4.90 115.29 116.67 1cqe s HIS 95 Ca 0.32 -0.90 -0.01 0.00 -0.15 0.00 0.00 55.06 54.31 1cqe s HIS 95 Cb 0.22 -0.47 0.00 0.00 1.11 0.00 0.00 32.58 33.44 1cqe s HIS 95 CO 0.13 -0.19 0.29 0.41 -0.85 0.00 0.00 174.74 174.53 1cqe n GLY 96 N 0.15 0.43 0.35 -2.22 0.00 -1.26 -4.78 105.19 97.86 1cqe n GLY 96 Ca -0.14 -0.39 0.02 0.00 0.00 0.00 0.00 46.02 45.51 1cqe n GLY 96 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 173.32 171.19 1cqe n ARG 97 N -1.75 -0.16 -0.16 1.61 3.00 -1.26 0.12 116.66 118.06 1cqe n ARG 97 Ca -0.03 1.47 0.08 0.00 -0.00 0.00 0.00 57.85 59.37 1cqe n ARG 97 Cb 0.53 -2.19 0.39 0.00 0.00 0.00 0.00 32.46 31.19 1cqe n ARG 97 CO 0.00 0.00 0.00 0.11 0.00 0.00 0.00 177.63 177.74 1cqe h TRP 98 N 0.00 0.69 -0.14 -0.14 5.08 -1.99 0.59 115.95 120.04 1cqe h TRP 98 Ca 0.39 0.02 -0.23 0.00 1.08 0.00 0.00 58.89 60.15 1cqe h TRP 98 Cb 0.62 -0.23 0.01 0.00 -3.00 0.00 0.00 29.16 26.57 1cqe h TRP 98 CO -0.79 0.36 -0.80 1.25 -1.28 0.00 0.00 178.44 177.18 1cqe h LEU 99 N 0.67 0.95 -1.54 0.11 5.85 0.54 -3.15 115.31 118.75 1cqe h LEU 99 Ca 0.30 -0.64 -0.05 0.00 0.84 0.00 0.00 57.88 58.34 1cqe h LEU 99 Cb 0.32 -0.28 -0.01 0.00 0.37 0.00 0.00 40.66 41.06 1cqe h LEU 99 CO -0.10 1.44 -0.24 -0.50 -0.34 0.00 0.00 178.44 178.70 1cqe h TRP 100 N 0.53 0.00 -0.81 1.25 4.06 0.13 -2.56 115.95 118.55 1cqe h TRP 100 Ca -0.06 0.00 -0.04 0.00 2.06 0.00 0.00 58.89 60.85 1cqe h TRP 100 Cb 1.43 0.00 -0.04 0.00 -1.00 0.00 0.00 29.16 29.56 1cqe h TRP 100 CO 0.09 0.24 0.34 -0.44 -3.56 0.00 0.00 178.44 175.11 1cqe h ASP 101 N 0.00 1.10 0.14 -3.49 3.32 0.02 -0.00 116.42 117.51 1cqe h ASP 101 Ca -0.00 -0.16 -0.01 0.00 0.02 0.00 0.00 57.03 56.88 1cqe h ASP 101 Cb 0.43 -0.28 0.00 0.00 0.22 0.00 0.00 39.33 39.70 1cqe h ASP 101 CO 0.03 0.96 -0.07 0.15 -1.72 0.00 0.00 179.24 178.59 1cqe h PHE 102 N 1.17 -0.18 -0.29 4.55 3.57 -1.44 -3.23 116.94 121.10 1cqe h PHE 102 Ca 0.27 -0.00 0.04 0.00 3.53 0.00 0.00 57.97 61.81 1cqe h PHE 102 Cb 0.19 0.06 -0.04 0.00 2.79 0.00 0.00 35.95 38.95 1cqe h PHE 102 CO 0.02 0.24 0.05 0.28 -2.23 0.00 0.00 178.31 176.67 1cqe h VAL 103 N -0.68 0.85 -0.02 1.41 2.07 -1.41 0.10 116.25 118.58 1cqe h VAL 103 Ca -0.02 -0.05 0.01 0.00 0.82 0.00 0.00 66.70 67.45 1cqe h VAL 103 Cb 0.50 0.69 -0.00 0.00 -1.52 0.00 0.00 31.29 30.96 1cqe h VAL 103 CO 0.03 0.03 0.33 0.78 0.02 0.00 0.00 177.57 178.76 1cqe h ASN 104 N 0.15 0.00 -0.03 0.57 2.35 -1.08 0.44 115.58 117.98 1cqe h ASN 104 Ca 0.13 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.88 1cqe h ASN 104 Cb 0.15 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.52 1cqe h ASN 104 CO -0.18 0.00 -0.12 0.00 -1.65 0.00 0.00 177.43 175.48 1cqe n ALA 105 N -1.92 2.73 -3.28 -0.83 0.00 0.33 -4.81 120.51 112.74 1cqe n ALA 105 Ca -0.02 -0.67 -0.12 0.00 0.00 0.00 0.00 53.44 52.63 1cqe n ALA 105 Cb 0.38 -0.78 0.02 0.00 0.00 0.00 0.00 19.45 19.07 1cqe n ALA 105 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.50 177.75 1cqe n THR 106 N 0.96 0.00 0.70 0.00 -2.24 0.14 -4.98 114.28 108.86 1cqe n THR 106 Ca 0.12 -0.95 0.13 0.00 -2.27 0.00 0.00 64.05 61.08 1cqe n THR 106 Cb 0.55 -0.58 0.47 0.00 -2.10 0.00 0.00 70.33 68.67 1cqe n THR 106 CO 0.00 0.00 0.00 2.22 -0.57 0.00 0.00 175.07 176.72 1cqe n PHE 107 N -1.40 0.59 0.26 4.78 1.16 -1.26 -3.36 117.46 118.24 1cqe n PHE 107 Ca 0.04 0.18 0.17 0.00 -1.87 0.00 0.00 57.45 55.97 1cqe n PHE 107 Cb 0.28 -0.80 0.90 0.00 -1.61 0.00 0.00 39.48 38.26 1cqe n PHE 107 CO 0.00 0.00 0.00 0.82 -1.87 0.00 0.00 176.76 175.71 1cqe h ILE 108 N 0.00 0.00 -0.31 1.97 2.04 -1.94 -2.23 117.51 117.04 1cqe h ILE 108 Ca 0.00 0.00 -0.15 0.00 1.00 0.00 0.00 64.86 65.71 1cqe h ILE 108 Cb 0.59 0.73 -0.00 0.00 -0.74 0.00 0.00 36.82 37.40 1cqe h ILE 108 CO 0.00 0.00 -0.40 -0.09 0.00 0.00 0.00 178.15 177.66 1cqe h ARG 109 N 0.00 0.83 -0.29 2.37 2.43 -1.62 -2.53 114.38 115.56 1cqe h ARG 109 Ca 0.00 -0.47 -0.13 0.00 -0.81 0.00 0.00 59.98 58.57 1cqe h ARG 109 Cb 0.10 0.03 -0.00 0.00 -0.42 0.00 0.00 29.97 29.68 1cqe h ARG 109 CO 0.00 1.11 -0.33 -0.44 -1.51 0.00 0.00 179.97 178.80 1cqe h ASP 110 N 0.60 0.80 -0.37 -3.80 3.32 -1.67 -0.61 116.42 114.69 1cqe h ASP 110 Ca 0.04 -0.48 0.06 0.00 0.02 0.00 0.00 57.03 56.67 1cqe h ASP 110 Cb 1.00 -0.23 -0.06 0.00 0.22 0.00 0.00 39.33 40.27 1cqe h ASP 110 CO 0.10 1.12 0.03 0.74 -1.72 0.00 0.00 179.24 179.50 1cqe h THR 111 N 0.50 0.75 -0.28 0.35 2.02 -1.54 0.89 112.91 115.60 1cqe h THR 111 Ca 0.04 -0.05 -0.18 0.00 0.77 0.00 0.00 66.41 67.00 1cqe h THR 111 Cb 0.91 0.61 0.00 0.00 -1.74 0.00 0.00 68.15 67.92 1cqe h THR 111 CO 0.08 0.02 -0.51 -0.07 0.37 0.00 0.00 175.52 175.42 1cqe h LEU 112 N 0.13 0.94 -1.23 2.58 3.38 -1.42 -2.26 115.31 117.43 1cqe h LEU 112 Ca 0.18 -0.53 0.01 0.00 0.09 0.00 0.00 57.88 57.63 1cqe h LEU 112 Cb 0.24 -0.27 -0.04 0.00 0.09 0.00 0.00 40.66 40.68 1cqe h LEU 112 CO -0.28 1.29 0.52 -0.03 0.09 0.00 0.00 178.44 180.03 1cqe h MET 113 N 0.62 1.02 -0.37 1.13 4.05 -0.73 0.73 114.93 121.37 1cqe h MET 113 Ca 0.02 -0.06 -0.14 0.00 -0.28 0.00 0.00 59.70 59.24 1cqe h MET 113 Cb 1.12 -0.23 -0.01 0.00 -0.80 0.00 0.00 31.60 31.67 1cqe h MET 113 CO 0.11 0.68 -0.32 -0.09 0.23 0.00 0.00 176.91 177.52 1cqe h ARG 114 N 1.05 0.83 -0.08 0.39 2.43 -0.78 -1.86 114.38 116.35 1cqe h ARG 114 Ca 0.29 -0.39 -0.00 0.00 -0.81 0.00 0.00 59.98 59.06 1cqe h ARG 114 Cb -0.10 -0.01 -0.00 0.00 -0.42 0.00 0.00 29.97 29.44 1cqe h ARG 114 CO -0.07 1.03 0.04 1.25 -1.51 0.00 0.00 179.97 180.71 1cqe h LEU 115 N 0.70 0.11 -0.52 3.80 5.85 -0.58 -0.87 115.31 123.79 1cqe h LEU 115 Ca 0.07 -0.15 0.07 0.00 0.84 0.00 0.00 57.88 58.71 1cqe h LEU 115 Cb 0.88 -0.03 -0.06 0.00 0.37 0.00 0.00 40.66 41.82 1cqe h LEU 115 CO 0.08 0.22 0.21 0.58 -0.34 0.00 0.00 178.44 179.19 1cqe h VAL 116 N -0.01 0.85 0.32 1.05 2.07 -0.84 -0.01 116.25 119.67 1cqe h VAL 116 Ca 0.03 -0.14 -0.02 0.00 0.82 0.00 0.00 66.70 67.39 1cqe h VAL 116 Cb 0.15 0.41 0.00 0.00 -1.52 0.00 0.00 31.29 30.33 1cqe h VAL 116 CO -0.00 0.07 -0.15 -0.07 0.02 0.00 0.00 177.57 177.44 1cqe h LEU 117 N 0.40 -0.36 -0.03 2.57 3.38 -1.12 -1.48 115.31 118.67 1cqe h LEU 117 Ca 0.25 -0.01 -0.02 0.00 0.09 0.00 0.00 57.88 58.18 1cqe h LEU 117 Cb 0.25 0.09 0.00 0.00 0.09 0.00 0.00 40.66 41.09 1cqe h LEU 117 CO -0.23 -0.22 -0.07 0.71 0.09 0.00 0.00 178.44 178.72 1cqe h THR 118 N -0.46 1.44 -0.36 0.22 1.35 -0.99 -2.47 112.91 111.63 1cqe h THR 118 Ca -0.04 -1.40 0.05 0.00 -0.55 0.00 0.00 66.41 64.47 1cqe h THR 118 Cb 0.35 2.29 -0.04 0.00 -1.73 0.00 0.00 68.15 69.02 1cqe h THR 118 CO 0.07 0.38 0.10 0.58 -0.25 0.00 0.00 175.52 176.40 1cqe h VAL 119 N -0.42 0.86 -0.16 6.82 2.07 -1.08 -2.14 116.25 122.20 1cqe h VAL 119 Ca 0.00 -0.08 -0.00 0.00 0.82 0.00 0.00 66.70 67.44 1cqe h VAL 119 Cb 0.65 0.60 -0.01 0.00 -1.52 0.00 0.00 31.29 31.01 1cqe h VAL 119 CO 0.02 0.04 0.08 -0.09 0.02 0.00 0.00 177.57 177.64 1cqe h ARG 120 N 0.24 0.22 -0.48 1.57 9.65 -1.33 -3.21 114.38 121.04 1cqe h ARG 120 Ca 0.17 -0.03 -0.03 0.00 -1.10 0.00 0.00 59.98 58.99 1cqe h ARG 120 Cb 0.17 -0.04 -0.02 0.00 -1.39 0.00 0.00 29.97 28.68 1cqe h ARG 120 CO -0.20 0.24 0.16 0.77 2.80 0.00 0.00 179.97 183.74 1cqe h SER 121 N 0.15 0.63 0.00 -3.80 0.02 -1.20 -2.94 113.55 106.41 1cqe h SER 121 Ca 0.05 -0.08 0.00 0.00 -0.84 0.00 0.00 61.79 60.92 1cqe h SER 121 Cb 0.08 -0.16 0.00 0.00 0.14 0.00 0.00 62.40 62.46 1cqe h SER 121 CO -0.01 0.60 0.16 0.78 -1.14 0.00 0.00 176.83 177.22 1cqe h ASN 122 N 0.68 0.00 1.45 3.07 2.35 -1.39 0.22 115.58 121.96 1cqe h ASN 122 Ca 0.16 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.91 1cqe h ASN 122 Cb 0.19 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.56 1cqe h ASN 122 CO -0.01 0.00 0.00 -0.07 -1.65 0.00 0.00 177.43 175.70 1cqe h LEU 123 N 0.00 0.00 -8.58 1.61 3.38 -1.68 -3.42 115.31 106.62 1cqe h LEU 123 Ca 0.00 0.00 -0.66 0.00 0.09 0.00 0.00 57.88 57.31 1cqe h LEU 123 Cb 0.33 0.00 -0.23 0.00 0.09 0.00 0.00 40.66 40.84 1cqe h LEU 123 CO 0.00 0.00 -0.60 -0.63 0.09 0.00 0.00 178.44 177.30 1cqe s ILE 124 N -3.40 4.35 0.27 1.22 -1.09 0.06 -5.06 121.20 117.55 1cqe s ILE 124 Ca 0.05 -0.33 -0.30 0.00 -2.23 0.00 0.00 60.65 57.84 1cqe s ILE 124 Cb 0.08 -3.13 -0.10 0.00 -1.58 0.00 0.00 42.46 37.73 1cqe s ILE 124 CO 0.59 0.21 1.45 -2.16 -1.23 0.00 0.00 174.94 173.80 1cqe s PRO 125 N 1.60 4.25 -0.14 2.79 0.04 -1.26 -5.03 135.00 137.25 1cqe s PRO 125 Ca 0.05 2.34 -0.06 0.00 0.04 0.00 0.00 61.00 63.38 1cqe s PRO 125 Cb -0.16 -3.09 0.06 0.00 0.04 0.00 0.00 34.50 31.36 1cqe s PRO 125 CO 0.04 -0.43 0.29 -1.12 0.04 0.00 0.00 177.00 175.83 1cqe s SER 126 N 0.27 0.03 0.81 6.66 0.01 -1.26 -3.64 113.70 116.57 1cqe s SER 126 Ca 0.58 0.66 -0.11 0.00 1.31 0.00 0.00 55.95 58.39 1cqe s SER 126 Cb -0.43 0.72 0.08 0.00 0.21 0.00 0.00 66.02 66.61 1cqe s SER 126 CO 0.46 -0.22 1.13 -2.16 0.41 0.00 0.00 173.24 172.86 1cqe s PRO 127 N 2.05 1.82 0.84 12.44 0.04 -1.26 -5.03 135.00 145.90 1cqe s PRO 127 Ca -0.03 1.39 -0.14 0.00 0.04 0.00 0.00 61.00 62.26 1cqe s PRO 127 Cb -0.11 -1.83 0.00 0.00 0.04 0.00 0.00 34.50 32.60 1cqe s PRO 127 CO -0.09 -2.01 0.50 -0.35 0.04 0.00 0.00 177.00 175.08 1cqe n PRO 128 N -3.62 0.01 0.00 0.56 -0.04 -1.24 -5.05 135.00 125.62 1cqe n PRO 128 Ca 0.11 0.05 0.00 0.00 -0.04 0.00 0.00 63.50 63.62 1cqe n PRO 128 Cb 0.52 -1.87 0.00 0.00 -0.04 0.00 0.00 33.50 32.11 1cqe n PRO 128 CO 0.00 0.00 0.00 0.25 -0.04 0.00 0.00 175.50 175.71 1cqe n THR 129 N -3.03 0.00 -3.05 0.52 -2.24 -1.26 -4.78 114.28 100.44 1cqe n THR 129 Ca 0.08 0.00 -0.22 0.00 -2.27 0.00 0.00 64.05 61.65 1cqe n THR 129 Cb 0.52 -0.52 0.01 0.00 -2.10 0.00 0.00 70.33 68.24 1cqe n THR 129 CO 0.00 0.00 0.00 -0.31 -0.57 0.00 0.00 175.07 174.19 1cqe s TYR 130 N 0.00 3.16 0.30 4.78 2.02 -1.25 -4.54 117.35 121.82 1cqe s TYR 130 Ca 0.00 0.11 0.00 0.00 -0.37 0.00 0.00 57.07 56.81 1cqe s TYR 130 Cb 0.00 -2.29 -0.02 0.00 -0.40 0.00 0.00 41.96 39.25 1cqe s TYR 130 CO 0.00 -0.34 0.32 0.54 -1.57 0.00 0.00 175.55 174.51 1cqe s ASN 131 N -4.23 0.91 0.58 2.29 2.20 -0.65 -1.67 114.94 114.37 1cqe s ASN 131 Ca 0.49 -1.51 0.29 0.00 -0.94 0.00 0.00 52.86 51.18 1cqe s ASN 131 Cb -0.10 0.55 1.48 0.00 -2.00 0.00 0.00 41.25 41.18 1cqe s ASN 131 CO 0.36 -1.09 1.90 -0.29 -2.94 0.00 0.00 177.10 175.05 1cqe h ILE 132 N 2.25 0.40 0.00 0.54 6.09 -1.86 -2.47 117.51 122.47 1cqe h ILE 132 Ca -0.29 0.00 -0.32 0.00 -1.37 0.00 0.00 64.86 62.88 1cqe h ILE 132 Cb 1.24 0.62 -0.06 0.00 0.47 0.00 0.00 36.82 39.09 1cqe h ILE 132 CO 0.41 0.00 -1.99 0.00 -3.07 0.00 0.00 178.15 173.50 1cqe n ALA 133 N -2.39 1.52 -3.99 0.18 0.00 -1.26 -4.89 120.51 109.67 1cqe n ALA 133 Ca 0.09 -1.00 -0.29 0.00 0.00 0.00 0.00 53.44 52.24 1cqe n ALA 133 Cb 0.68 -0.57 -0.16 0.00 0.00 0.00 0.00 19.45 19.40 1cqe n ALA 133 CO 0.00 0.00 0.00 -1.01 0.00 0.00 0.00 177.50 176.49 1cqe s HIS 134 N -2.57 2.06 -0.65 0.00 3.76 -0.93 -4.96 115.29 112.00 1cqe s HIS 134 Ca -0.07 -1.16 -0.01 0.00 -0.15 0.00 0.00 55.06 53.66 1cqe s HIS 134 Cb 0.07 -1.53 0.47 0.00 1.11 0.00 0.00 32.58 32.70 1cqe s HIS 134 CO 0.83 -0.65 2.03 -0.25 -0.85 0.00 0.00 174.74 175.85 1cqe n ASP 135 N 4.80 7.37 -3.62 1.40 8.00 -1.26 -1.64 116.55 131.61 1cqe n ASP 135 Ca -0.16 -3.77 -0.11 0.00 0.71 0.00 0.00 54.79 51.46 1cqe n ASP 135 Cb 0.50 -0.97 -0.04 0.00 -0.02 0.00 0.00 41.12 40.59 1cqe n ASP 135 CO 0.00 0.00 0.00 -0.72 -0.39 0.00 0.00 177.20 176.09 1cqe s TYR 136 N -3.78 -0.23 0.36 1.24 -0.85 -1.26 -4.95 117.35 107.89 1cqe s TYR 136 Ca 0.64 -0.08 -0.26 0.00 -0.52 0.00 0.00 57.07 56.86 1cqe s TYR 136 Cb 0.51 0.30 -0.09 0.00 0.38 0.00 0.00 41.96 43.05 1cqe s TYR 136 CO 0.00 -0.73 1.08 0.42 -1.52 0.00 0.00 175.55 174.81 1cqe s ILE 137 N -3.80 3.55 0.10 -3.49 1.01 -1.26 -4.56 121.20 112.74 1cqe s ILE 137 Ca 0.03 1.31 -0.25 0.00 0.00 0.00 0.00 60.65 61.74 1cqe s ILE 137 Cb 0.01 -3.74 0.08 0.00 0.01 0.00 0.00 42.46 38.82 1cqe s ILE 137 CO -0.12 0.13 0.66 -0.94 0.00 0.00 0.00 174.94 174.68 1cqe s SER 138 N -1.29 -0.55 0.22 3.58 1.04 -1.26 -5.03 113.70 110.41 1cqe s SER 138 Ca 0.54 0.12 -0.07 0.00 0.48 0.00 0.00 55.95 57.02 1cqe s SER 138 Cb -0.26 0.55 0.19 0.00 0.10 0.00 0.00 66.02 66.59 1cqe s SER 138 CO 0.33 -0.85 1.77 -0.25 0.98 0.00 0.00 173.24 175.23 1cqe h TRP 139 N 2.17 1.16 -0.88 5.02 2.91 -1.98 -1.66 115.95 122.69 1cqe h TRP 139 Ca -0.31 -0.10 0.00 0.00 1.13 0.00 0.00 58.89 59.61 1cqe h TRP 139 Cb 1.27 -0.34 -0.04 0.00 -0.51 0.00 0.00 29.16 29.53 1cqe h TRP 139 CO 0.26 0.90 0.56 1.49 -1.03 0.00 0.00 178.44 180.62 1cqe h GLU 140 N 1.10 1.18 -0.11 2.65 4.57 -1.97 0.28 114.58 122.28 1cqe h GLU 140 Ca 0.24 -0.09 -0.02 0.00 -1.18 0.00 0.00 59.36 58.31 1cqe h GLU 140 Cb 0.27 -0.26 -0.00 0.00 -0.16 0.00 0.00 28.75 28.60 1cqe h GLU 140 CO -0.01 0.80 -0.02 1.03 -1.18 0.00 0.00 179.01 179.63 1cqe h SER 141 N 1.21 0.20 -0.67 1.04 0.87 -1.80 0.52 113.55 114.91 1cqe h SER 141 Ca 0.32 -0.35 0.06 0.00 -1.23 0.00 0.00 61.79 60.58 1cqe h SER 141 Cb -0.09 -0.05 -0.04 0.00 -0.44 0.00 0.00 62.40 61.77 1cqe h SER 141 CO -0.06 0.51 0.44 0.15 -0.53 0.00 0.00 176.83 177.34 1cqe h PHE 142 N -0.11 0.70 0.00 2.24 3.57 -0.61 -3.31 116.94 119.42 1cqe h PHE 142 Ca 0.03 0.02 -0.34 0.00 3.53 0.00 0.00 57.97 61.20 1cqe h PHE 142 Cb 0.42 -0.23 -0.06 0.00 2.79 0.00 0.00 35.95 38.86 1cqe h PHE 142 CO 0.05 0.38 -2.30 -1.13 -2.23 0.00 0.00 178.31 173.08 1cqe n SER 143 N -4.47 0.72 -4.55 0.41 3.41 0.94 -4.86 113.62 105.21 1cqe n SER 143 Ca 0.09 -0.02 -0.40 0.00 -0.26 0.00 0.00 58.87 58.28 1cqe n SER 143 Cb 0.22 0.71 -0.03 0.00 -0.26 0.00 0.00 64.21 64.84 1cqe n SER 143 CO 0.00 0.00 0.00 0.21 -0.16 0.00 0.00 175.04 175.09 1cqe s ASN 144 N -5.49 5.89 0.00 4.04 3.84 0.18 -4.84 114.94 118.56 1cqe s ASN 144 Ca -0.14 -0.27 0.20 0.00 0.21 0.00 0.00 52.86 52.87 1cqe s ASN 144 Cb 0.06 -2.55 1.22 0.00 -0.55 0.00 0.00 41.25 39.43 1cqe s ASN 144 CO 0.73 -2.00 1.64 0.52 -2.79 0.00 0.00 177.10 175.20 1cqe n VAL 145 N 6.68 0.00 0.66 -5.21 0.31 -1.26 -3.03 118.33 116.48 1cqe n VAL 145 Ca 0.10 0.00 0.13 0.00 -0.01 0.00 0.00 64.34 64.56 1cqe n VAL 145 Cb 0.50 -0.55 0.40 0.00 -0.91 0.00 0.00 33.84 33.28 1cqe n VAL 145 CO 0.00 0.00 0.00 -1.20 -1.32 0.00 0.00 176.83 174.31 1cqe n SER 146 N -0.92 0.72 -4.85 4.52 7.64 -1.26 -4.74 113.62 114.73 1cqe n SER 146 Ca 0.15 0.51 -0.35 0.00 1.01 0.00 0.00 58.87 60.19 1cqe n SER 146 Cb 0.07 -0.65 -0.06 0.00 -1.01 0.00 0.00 64.21 62.57 1cqe n SER 146 CO 0.00 0.00 0.00 -0.31 -3.01 0.00 0.00 175.04 171.72 1cqe s TYR 147 N -3.10 3.59 0.33 1.43 2.02 -1.17 -0.46 117.35 120.00 1cqe s TYR 147 Ca 0.10 1.01 -0.19 0.00 -0.37 0.00 0.00 57.07 57.63 1cqe s TYR 147 Cb 0.13 -2.34 -0.09 0.00 -0.40 0.00 0.00 41.96 39.26 1cqe s TYR 147 CO 0.61 0.43 0.81 0.71 -1.57 0.00 0.00 175.55 176.54 1cqe s TYR 148 N -1.48 3.44 0.73 2.71 2.02 -0.42 -4.82 117.35 119.52 1cqe s TYR 148 Ca 0.38 1.41 0.01 0.00 -0.37 0.00 0.00 57.07 58.51 1cqe s TYR 148 Cb -0.15 -2.68 0.14 0.00 -0.40 0.00 0.00 41.96 38.88 1cqe s TYR 148 CO 0.19 0.10 1.00 -0.08 -1.57 0.00 0.00 175.55 175.19 1cqe s THR 149 N -1.91 2.01 -0.04 -0.71 -1.32 0.02 -4.26 115.64 109.43 1cqe s THR 149 Ca 0.54 -0.68 -0.14 0.00 -1.21 0.00 0.00 61.69 60.20 1cqe s THR 149 Cb -0.12 -2.33 0.02 0.00 -1.51 0.00 0.00 72.50 68.57 1cqe s THR 149 CO 0.18 0.00 0.30 0.00 -2.21 0.00 0.00 174.62 172.89 1cqe s ARG 150 N -5.12 0.59 0.02 7.08 1.70 -0.67 -0.32 118.95 122.23 1cqe s ARG 150 Ca 0.67 -0.06 -0.09 0.00 -0.47 0.00 0.00 55.73 55.79 1cqe s ARG 150 Cb -0.04 0.27 -0.31 0.00 -0.57 0.00 0.00 34.95 34.30 1cqe s ARG 150 CO 0.44 -0.15 0.92 0.82 -1.08 0.00 0.00 175.30 176.26 1cqe h ILE 151 N 4.06 1.22 -4.18 4.99 1.08 -1.99 -3.32 117.51 119.37 1cqe h ILE 151 Ca -0.29 -2.77 -0.69 0.00 -0.39 0.00 0.00 64.86 60.72 1cqe h ILE 151 Cb 1.18 2.88 -0.30 0.00 -3.07 0.00 0.00 36.82 37.51 1cqe h ILE 151 CO 0.38 0.84 -0.87 -0.76 -0.69 0.00 0.00 178.15 177.05 1cqe s LEU 152 N -7.25 2.16 0.96 1.44 1.43 -1.26 -4.98 118.68 111.18 1cqe s LEU 152 Ca -0.09 -0.46 -0.11 0.00 -1.03 0.00 0.00 54.13 52.44 1cqe s LEU 152 Cb 0.06 -1.39 0.17 0.00 0.03 0.00 0.00 46.19 45.05 1cqe s LEU 152 CO 0.89 0.28 1.09 -2.16 0.23 0.00 0.00 176.35 176.67 1cqe s PRO 153 N -0.34 0.73 1.18 1.29 0.04 -1.26 -4.88 135.00 131.76 1cqe s PRO 153 Ca 0.02 1.04 -0.18 0.00 0.04 0.00 0.00 61.00 61.92 1cqe s PRO 153 Cb -0.12 -1.73 0.28 0.00 0.04 0.00 0.00 34.50 32.96 1cqe s PRO 153 CO 0.02 -2.66 1.08 -1.54 0.04 0.00 0.00 177.00 173.94 1cqe s SER 154 N -3.01 1.05 -0.25 6.66 1.04 -1.26 -4.63 113.70 113.30 1cqe s SER 154 Ca 0.65 0.83 -0.28 0.00 0.48 0.00 0.00 55.95 57.63 1cqe s SER 154 Cb -0.21 -1.22 0.01 0.00 0.10 0.00 0.00 66.02 64.70 1cqe s SER 154 CO 0.59 -4.06 1.02 -0.69 0.98 0.00 0.00 173.24 171.08 1cqe s VAL 155 N -2.88 4.66 0.11 5.02 1.01 -0.62 -4.91 120.40 122.79 1cqe s VAL 155 Ca 0.69 1.91 -0.35 0.00 0.00 0.00 0.00 61.98 64.23 1cqe s VAL 155 Cb -0.13 -4.31 -0.18 0.00 0.00 0.00 0.00 36.38 31.76 1cqe s VAL 155 CO 0.57 -0.24 1.02 -2.65 0.00 0.00 0.00 175.10 173.80 1cqe n PRO 156 N 6.41 0.53 0.22 2.72 -0.02 -1.26 -4.80 135.00 138.80 1cqe n PRO 156 Ca 0.11 0.19 0.15 0.00 -2.02 0.00 0.00 63.50 61.94 1cqe n PRO 156 Cb 0.46 -1.60 0.78 0.00 -0.02 0.00 0.00 33.50 33.13 1cqe n PRO 156 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1cqe h ARG 157 N 2.88 0.00 -0.80 -0.52 3.08 -1.99 -2.61 114.38 114.42 1cqe h ARG 157 Ca -0.43 0.00 -0.23 0.00 0.07 0.00 0.00 59.98 59.39 1cqe h ARG 157 Cb 1.39 0.00 -0.13 0.00 0.08 0.00 0.00 29.97 31.31 1cqe h ARG 157 CO 0.66 0.00 0.29 -0.40 -1.07 0.00 0.00 179.97 179.45 1cqe n ASP 158 N -2.58 4.53 -4.89 7.04 5.75 -1.26 -4.97 116.55 120.16 1cqe n ASP 158 Ca -0.01 -3.14 -0.31 0.00 -0.01 0.00 0.00 54.79 51.32 1cqe n ASP 158 Cb 0.09 -0.74 -0.04 0.00 -1.03 0.00 0.00 41.12 39.40 1cqe n ASP 158 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 1cqe h PRO 160 N 2.11 -0.37 -6.04 0.00 0.11 -1.90 -3.44 132.00 122.47 1cqe h PRO 160 Ca -0.47 0.03 -0.53 0.00 0.11 0.00 0.00 66.00 65.13 1cqe h PRO 160 Cb 1.18 0.08 -0.05 0.00 0.11 0.00 0.00 31.00 32.32 1cqe h PRO 160 CO 0.68 -0.25 -0.41 0.95 -0.21 0.00 0.00 178.00 178.76 1cqe s THR 161 N -5.99 2.39 0.43 -1.15 -4.23 -1.00 -4.91 115.64 101.17 1cqe s THR 161 Ca -0.15 -1.48 0.30 0.00 -1.18 0.00 0.00 61.69 59.18 1cqe s THR 161 Cb 0.11 -2.88 0.33 0.00 1.34 0.00 0.00 72.50 71.40 1cqe s THR 161 CO 0.66 0.00 2.12 -0.65 -0.54 0.00 0.00 174.62 176.21 1cqe h PRO 162 N 1.12 0.00 -0.36 3.99 0.11 -1.81 -2.64 132.00 132.41 1cqe h PRO 162 Ca -0.41 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.70 1cqe h PRO 162 Cb 1.27 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.38 1cqe h PRO 162 CO 0.62 0.08 0.00 -1.33 -0.21 0.00 0.00 178.00 177.16 1cqe n MET 163 N -3.53 3.25 0.00 1.05 2.81 -1.26 -4.90 117.12 114.54 1cqe n MET 163 Ca -0.02 -2.73 0.00 0.00 -1.81 0.00 0.00 57.70 53.15 1cqe n MET 163 Cb 0.21 -1.78 0.00 0.00 -0.71 0.00 0.00 33.22 30.94 1cqe n MET 163 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 1cqe n GLY 164 N 0.03 1.36 0.04 3.03 0.00 -1.00 -4.56 105.19 104.09 1cqe n GLY 164 Ca 0.21 -0.80 -0.04 0.00 0.00 0.00 0.00 46.02 45.39 1cqe n GLY 164 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 1cqe n THR 165 N 0.00 0.50 -3.15 2.61 -1.04 -1.25 -2.39 114.28 109.57 1cqe n THR 165 Ca 0.00 -0.30 -0.18 0.00 -2.04 0.00 0.00 64.05 61.53 1cqe n THR 165 Cb 0.00 -0.81 0.00 0.00 -1.82 0.00 0.00 70.33 67.70 1cqe n THR 165 CO 0.00 0.00 0.00 -0.54 -0.64 0.00 0.00 175.07 173.89 1cqe s LYS 166 N -2.18 2.75 0.01 -2.82 1.02 -1.26 -4.68 119.74 112.58 1cqe s LYS 166 Ca -0.05 -1.32 0.00 0.00 0.02 0.00 0.00 55.97 54.62 1cqe s LYS 166 Cb 0.02 -2.66 0.00 0.00 -0.52 0.00 0.00 37.83 34.67 1cqe s LYS 166 CO 0.29 -0.26 0.00 0.41 -0.92 0.00 0.00 175.35 174.87 1cqe n GLY 167 N -1.78 -3.05 3.85 -3.33 0.00 -1.26 -4.53 105.19 95.10 1cqe n GLY 167 Ca 0.07 -1.75 -0.32 0.00 0.00 0.00 0.00 46.02 44.02 1cqe n GLY 167 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1cqe s LYS 168 N -0.99 3.91 0.13 1.61 1.02 -1.22 -4.93 119.74 119.27 1cqe s LYS 168 Ca 0.00 0.81 0.12 0.00 0.02 0.00 0.00 55.97 56.92 1cqe s LYS 168 Cb 0.00 -2.22 0.60 0.00 -0.52 0.00 0.00 37.83 35.69 1cqe s LYS 168 CO 0.00 -0.19 1.39 1.63 -0.92 0.00 0.00 175.35 177.26 1cqe n LYS 169 N -1.45 0.07 -4.28 1.68 4.76 -1.26 -4.47 118.16 113.21 1cqe n LYS 169 Ca 0.05 0.47 -0.18 0.00 -2.87 0.00 0.00 58.31 55.79 1cqe n LYS 169 Cb 0.54 -1.68 -0.15 0.00 -1.84 0.00 0.00 35.03 31.90 1cqe n LYS 169 CO 0.00 0.00 0.00 -1.14 -1.37 0.00 0.00 177.40 174.89 1cqe s GLN 170 N -3.20 0.63 0.33 1.97 0.74 -1.26 -4.59 119.66 114.29 1cqe s GLN 170 Ca 0.01 -0.26 -0.05 0.00 0.05 0.00 0.00 55.36 55.12 1cqe s GLN 170 Cb 0.05 -0.61 -0.05 0.00 1.10 0.00 0.00 33.01 33.50 1cqe s GLN 170 CO 0.17 0.14 0.60 -0.51 -0.55 0.00 0.00 175.29 175.15 1cqe s LEU 171 N -0.09 3.98 0.23 3.68 1.43 -1.26 -5.03 118.68 121.62 1cqe s LEU 171 Ca 0.02 0.76 -0.30 0.00 -1.03 0.00 0.00 54.13 53.57 1cqe s LEU 171 Cb -0.04 -3.60 -0.15 0.00 0.03 0.00 0.00 46.19 42.43 1cqe s LEU 171 CO -0.00 -0.27 1.04 -2.65 0.23 0.00 0.00 176.35 174.70 1cqe n PRO 172 N -1.22 1.18 -1.67 1.29 -0.02 -1.26 -4.83 135.00 128.46 1cqe n PRO 172 Ca -0.01 0.42 -0.48 0.00 -2.02 0.00 0.00 63.50 61.40 1cqe n PRO 172 Cb 0.54 -1.82 -0.05 0.00 -0.02 0.00 0.00 33.50 32.16 1cqe n PRO 172 CO 0.00 0.00 0.00 -3.47 1.98 0.00 0.00 175.50 174.01 1cqe n ASP 173 N 1.62 3.07 -0.16 2.55 2.03 -1.26 -4.85 116.55 119.56 1cqe n ASP 173 Ca 0.12 1.04 -0.04 0.00 0.52 0.00 0.00 54.79 56.43 1cqe n ASP 173 Cb 0.28 -1.36 0.05 0.00 -0.72 0.00 0.00 41.12 39.38 1cqe n ASP 173 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 1cqe h ALA 174 N 7.36 0.62 -0.36 -1.67 0.00 -1.92 -0.94 119.26 122.35 1cqe h ALA 174 Ca -0.47 0.04 0.01 0.00 0.00 0.00 0.00 54.91 54.49 1cqe h ALA 174 Cb 1.27 -0.03 -0.02 0.00 0.00 0.00 0.00 17.79 19.02 1cqe h ALA 174 CO 0.91 -0.15 0.22 1.49 0.00 0.00 0.00 179.25 181.73 1cqe h GLU 175 N 0.43 0.44 0.13 0.00 4.57 -1.88 -1.09 114.58 117.19 1cqe h GLU 175 Ca 0.22 -0.03 -0.01 0.00 -1.18 0.00 0.00 59.36 58.37 1cqe h GLU 175 Cb 0.18 -0.10 0.00 0.00 -0.16 0.00 0.00 28.75 28.67 1cqe h GLU 175 CO -0.19 0.29 -0.06 0.35 -1.18 0.00 0.00 179.01 178.22 1cqe h PHE 176 N 0.46 -0.17 -0.70 0.92 3.57 -1.89 -1.20 116.94 117.94 1cqe h PHE 176 Ca 0.14 -0.00 0.11 0.00 3.53 0.00 0.00 57.97 61.74 1cqe h PHE 176 Cb -0.03 0.06 -0.05 0.00 2.79 0.00 0.00 35.95 38.72 1cqe h PHE 176 CO -0.06 -0.04 0.46 1.25 -2.23 0.00 0.00 178.31 177.69 1cqe h LEU 177 N -0.26 0.48 -0.24 0.59 5.85 -1.09 -1.87 115.31 118.78 1cqe h LEU 177 Ca -0.02 0.01 -0.21 0.00 0.84 0.00 0.00 57.88 58.50 1cqe h LEU 177 Cb 0.20 -0.08 0.00 0.00 0.37 0.00 0.00 40.66 41.15 1cqe h LEU 177 CO 0.03 0.28 -0.87 0.28 -0.34 0.00 0.00 178.44 177.82 1cqe h SER 178 N 0.53 0.54 1.50 1.25 0.02 -0.53 -2.87 113.55 113.99 1cqe h SER 178 Ca 0.33 -0.40 -0.10 0.00 -0.84 0.00 0.00 61.79 60.77 1cqe h SER 178 Cb 0.56 -0.16 -0.01 0.00 0.14 0.00 0.00 62.40 62.92 1cqe h SER 178 CO -0.11 1.19 -0.51 0.03 -1.14 0.00 0.00 176.83 176.29 1cqe h ARG 179 N 0.26 0.00 0.18 3.45 3.08 -0.89 -1.47 114.38 118.98 1cqe h ARG 179 Ca -0.06 0.00 -0.33 0.00 0.07 0.00 0.00 59.98 59.66 1cqe h ARG 179 Cb 1.49 0.00 0.01 0.00 0.08 0.00 0.00 29.97 31.55 1cqe h ARG 179 CO 0.15 0.48 -1.60 0.00 -1.07 0.00 0.00 179.97 177.93 1cqe h ARG 180 N 0.00 0.38 0.00 0.04 3.08 -1.40 -3.37 114.38 113.11 1cqe h ARG 180 Ca -0.01 -0.65 0.00 0.00 0.07 0.00 0.00 59.98 59.39 1cqe h ARG 180 Cb 1.37 0.24 0.00 0.00 0.08 0.00 0.00 29.97 31.67 1cqe h ARG 180 CO 0.06 1.28 -0.43 1.19 -1.07 0.00 0.00 179.97 181.00 1cqe n PHE 181 N -3.58 0.00 0.02 3.04 3.01 -1.08 -4.80 117.46 114.07 1cqe n PHE 181 Ca -0.20 0.00 0.04 0.00 1.01 0.00 0.00 57.45 58.30 1cqe n PHE 181 Cb 1.07 -0.02 -0.06 0.00 -0.01 0.00 0.00 39.48 40.46 1cqe n PHE 181 CO 0.00 0.00 0.00 1.28 1.01 0.00 0.00 176.76 179.05 1cqe n LEU 182 N -1.23 0.02 -4.72 4.37 4.77 -0.93 0.50 117.00 119.79 1cqe n LEU 182 Ca 0.00 -0.03 -0.42 0.00 -0.03 0.00 0.00 56.01 55.53 1cqe n LEU 182 Cb 0.06 0.00 -0.03 0.00 -2.33 0.00 0.00 43.42 41.12 1cqe n LEU 182 CO 0.06 0.01 1.01 -0.22 -1.33 0.00 0.00 177.39 176.92 1cqe s LEU 183 N -3.45 4.38 -0.08 2.23 2.96 -0.60 -1.25 118.68 122.87 1cqe s LEU 183 Ca -0.02 2.28 -0.30 0.00 -0.22 0.00 0.00 54.13 55.87 1cqe s LEU 183 Cb 0.05 -3.59 -0.04 0.00 0.50 0.00 0.00 46.19 43.11 1cqe s LEU 183 CO 0.32 -0.60 1.44 -0.60 -1.32 0.00 0.00 176.35 175.60 1cqe s ARG 184 N 0.90 4.23 0.00 1.98 3.52 -0.06 -4.03 118.95 125.50 1cqe s ARG 184 Ca 0.62 1.94 0.00 0.00 -0.13 0.00 0.00 55.73 58.16 1cqe s ARG 184 Cb -0.35 -3.79 0.00 0.00 -1.56 0.00 0.00 34.95 29.24 1cqe s ARG 184 CO 0.31 -0.72 0.00 0.54 -0.81 0.00 0.00 175.30 174.62 1cqe n ARG 185 N 6.46 0.00 -4.58 5.12 3.00 -1.19 -4.77 116.66 120.70 1cqe n ARG 185 Ca 0.15 0.29 -0.31 0.00 -0.01 0.00 0.00 57.85 57.97 1cqe n ARG 185 Cb 0.44 -0.78 -0.12 0.00 0.00 0.00 0.00 32.46 31.99 1cqe n ARG 185 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.63 177.78 1cqe s LYS 186 N -0.95 2.17 0.01 5.56 3.01 -1.26 -5.08 119.74 123.20 1cqe s LYS 186 Ca 0.00 -0.94 -0.30 0.00 -1.01 0.00 0.00 55.97 53.72 1cqe s LYS 186 Cb 0.00 -2.26 -0.06 0.00 -1.01 0.00 0.00 37.83 34.50 1cqe s LYS 186 CO 0.00 0.55 1.51 0.12 0.51 0.00 0.00 175.35 178.04 1cqe s PHE 187 N -0.97 2.60 -0.33 3.18 5.36 -1.26 -4.85 117.98 121.71 1cqe s PHE 187 Ca 0.16 0.58 -0.07 0.00 -0.96 0.00 0.00 56.93 56.64 1cqe s PHE 187 Cb -0.11 -3.79 0.03 0.00 -0.34 0.00 0.00 43.02 38.81 1cqe s PHE 187 CO 0.06 -3.08 0.10 0.42 -1.46 0.00 0.00 175.22 171.27 1cqe s ILE 188 N 2.72 3.83 0.63 3.12 1.01 -1.26 -5.08 121.20 126.17 1cqe s ILE 188 Ca 0.68 -1.02 -0.15 0.00 0.00 0.00 0.00 60.65 60.16 1cqe s ILE 188 Cb -0.34 -3.12 -0.02 0.00 0.01 0.00 0.00 42.46 38.99 1cqe s ILE 188 CO 0.28 -0.12 1.07 -2.16 0.00 0.00 0.00 174.94 174.02 1cqe s PRO 189 N 1.43 3.09 -0.06 2.79 0.04 -1.26 -0.29 135.00 140.74 1cqe s PRO 189 Ca -0.01 1.24 -0.30 0.00 0.04 0.00 0.00 61.00 61.97 1cqe s PRO 189 Cb -0.19 -2.00 -0.03 0.00 0.04 0.00 0.00 34.50 32.32 1cqe s PRO 189 CO 0.03 -1.00 1.25 0.34 0.04 0.00 0.00 177.00 177.66 1cqe s ASP 190 N -2.84 7.00 0.60 6.66 2.15 0.46 -3.99 116.67 126.72 1cqe s ASP 190 Ca 0.64 1.86 0.38 0.00 0.43 0.00 0.00 52.55 55.86 1cqe s ASP 190 Cb -0.17 -2.56 1.90 0.00 -0.30 0.00 0.00 42.92 41.79 1cqe s ASP 190 CO 0.41 -0.63 2.19 1.55 -0.17 0.00 0.00 175.17 178.51 1cqe h PRO 191 N 7.63 0.00 0.00 4.34 0.13 -1.84 -2.14 132.00 140.13 1cqe h PRO 191 Ca -0.34 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.79 1cqe h PRO 191 Cb 1.16 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.29 1cqe h PRO 191 CO 0.90 0.02 0.00 1.04 -0.23 0.00 0.00 178.00 179.72 1cqe n GLN 192 N -3.17 0.14 -1.15 0.86 6.02 -1.26 -4.90 117.38 113.93 1cqe n GLN 192 Ca -0.01 0.08 0.00 0.00 -0.01 0.00 0.00 57.00 57.05 1cqe n GLN 192 Cb 0.18 -1.50 0.00 0.00 1.02 0.00 0.00 30.24 29.94 1cqe n GLN 192 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 1cqe n GLY 193 N 0.88 0.48 3.78 1.08 0.00 -0.80 -4.90 105.19 105.70 1cqe n GLY 193 Ca 0.08 -0.92 -0.37 0.00 0.00 0.00 0.00 46.02 44.81 1cqe n GLY 193 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1cqe s THR 194 N -2.00 3.43 0.00 2.61 2.01 -1.26 0.46 115.64 120.89 1cqe s THR 194 Ca 0.00 1.12 0.00 0.00 0.31 0.00 0.00 61.69 63.12 1cqe s THR 194 Cb 0.00 -3.59 0.00 0.00 0.01 0.00 0.00 72.50 68.92 1cqe s THR 194 CO 0.00 0.03 0.00 -0.46 -0.69 0.00 0.00 174.62 173.50 1cqe n ASN 195 N -0.13 1.89 0.16 3.53 0.23 -1.10 -1.12 115.26 118.71 1cqe n ASN 195 Ca 0.05 -0.71 0.05 0.00 -0.53 0.00 0.00 54.58 53.43 1cqe n ASN 195 Cb 0.48 0.00 0.08 0.00 -2.08 0.00 0.00 39.78 38.26 1cqe n ASN 195 CO 0.00 0.00 0.00 -0.07 -0.93 0.00 0.00 177.26 176.26 1cqe h LEU 196 N 0.00 0.00 -1.09 -4.53 3.38 -0.43 -2.11 115.31 110.53 1cqe h LEU 196 Ca 0.00 0.00 -0.00 0.00 0.09 0.00 0.00 57.88 57.97 1cqe h LEU 196 Cb 0.00 0.00 -0.04 0.00 0.09 0.00 0.00 40.66 40.71 1cqe h LEU 196 CO 0.00 0.40 0.52 -0.03 0.09 0.00 0.00 178.44 179.41 1cqe h MET 197 N 0.00 1.14 0.04 1.13 4.05 -1.70 0.88 114.93 120.47 1cqe h MET 197 Ca -0.00 -0.10 -0.17 0.00 -0.28 0.00 0.00 59.70 59.15 1cqe h MET 197 Cb 1.28 -0.24 0.02 0.00 -0.80 0.00 0.00 31.60 31.85 1cqe h MET 197 CO 0.05 0.79 -0.69 0.35 0.23 0.00 0.00 176.91 177.64 1cqe h PHE 198 N 1.16 0.61 -0.96 1.39 3.04 -1.79 -2.35 116.94 118.04 1cqe h PHE 198 Ca 0.30 -0.37 0.06 0.00 3.98 0.00 0.00 57.97 61.95 1cqe h PHE 198 Cb -0.06 -0.06 -0.06 0.00 2.56 0.00 0.00 35.95 38.33 1cqe h PHE 198 CO 0.00 1.21 0.61 0.00 -2.02 0.00 0.00 178.31 178.12 1cqe h ALA 199 N 0.25 1.32 0.00 2.41 0.00 -0.96 -0.54 119.26 121.75 1cqe h ALA 199 Ca -0.10 -0.02 -0.18 0.00 0.00 0.00 0.00 54.91 54.61 1cqe h ALA 199 Cb 1.44 -0.29 -0.02 0.00 0.00 0.00 0.00 17.79 18.92 1cqe h ALA 199 CO 0.13 0.40 -0.84 0.74 0.00 0.00 0.00 179.25 179.69 1cqe h PHE 200 N 1.12 0.09 -0.57 0.00 0.04 -0.92 -2.66 116.94 114.04 1cqe h PHE 200 Ca 0.41 -0.05 -0.05 0.00 2.80 0.00 0.00 57.97 61.08 1cqe h PHE 200 Cb 0.15 -0.01 -0.02 0.00 2.20 0.00 0.00 35.95 38.27 1cqe h PHE 200 CO -0.01 0.87 0.17 0.35 -0.60 0.00 0.00 178.31 179.08 1cqe h PHE 201 N 0.03 0.93 -0.64 -0.55 3.04 -0.79 -0.44 116.94 118.52 1cqe h PHE 201 Ca -0.02 -0.10 -0.05 0.00 3.98 0.00 0.00 57.97 61.78 1cqe h PHE 201 Cb 1.47 -0.27 -0.03 0.00 2.56 0.00 0.00 35.95 39.68 1cqe h PHE 201 CO 0.01 0.79 0.20 0.00 -2.02 0.00 0.00 178.31 177.29 1cqe h ALA 202 N 1.04 0.84 -0.20 2.41 0.00 -1.11 0.18 119.26 122.42 1cqe h ALA 202 Ca 0.18 -0.21 -0.03 0.00 0.00 0.00 0.00 54.91 54.86 1cqe h ALA 202 Cb 0.30 -0.25 -0.01 0.00 0.00 0.00 0.00 17.79 17.84 1cqe h ALA 202 CO -0.00 0.51 0.01 0.37 0.00 0.00 0.00 179.25 180.15 1cqe h GLN 203 N 0.93 0.35 0.44 0.00 4.15 -1.28 -1.13 115.11 118.56 1cqe h GLN 203 Ca 0.21 -0.10 -0.02 0.00 0.77 0.00 0.00 58.65 59.50 1cqe h GLN 203 Cb 0.29 -0.04 0.00 0.00 0.21 0.00 0.00 27.48 27.95 1cqe h GLN 203 CO -0.01 0.53 -0.21 1.25 -1.93 0.00 0.00 178.83 178.46 1cqe h HIS 204 N 0.12 -0.55 0.23 3.99 2.76 -0.88 -2.45 115.15 118.37 1cqe h HIS 204 Ca 0.06 -0.01 -0.00 0.00 -2.20 0.00 0.00 60.37 58.21 1cqe h HIS 204 Cb 0.36 0.18 -0.02 0.00 1.55 0.00 0.00 27.41 29.48 1cqe h HIS 204 CO 0.03 -0.32 -0.37 0.35 -1.30 0.00 0.00 177.93 176.31 1cqe h PHE 205 N -0.62 -1.05 -0.18 5.26 3.57 -0.65 -2.81 116.94 120.44 1cqe h PHE 205 Ca -0.06 0.02 0.05 0.00 3.53 0.00 0.00 57.97 61.51 1cqe h PHE 205 Cb 0.47 0.43 -0.01 0.00 2.79 0.00 0.00 35.95 39.63 1cqe h PHE 205 CO -0.04 -0.46 0.22 1.79 -2.23 0.00 0.00 178.31 177.59 1cqe h THR 206 N -0.64 0.43 0.00 4.41 1.35 -1.25 -2.52 112.91 114.70 1cqe h THR 206 Ca -0.03 0.00 0.00 0.00 -0.55 0.00 0.00 66.41 65.83 1cqe h THR 206 Cb 0.59 0.82 0.00 0.00 -1.73 0.00 0.00 68.15 67.83 1cqe h THR 206 CO -0.12 0.00 0.00 1.41 -0.25 0.00 0.00 175.52 176.56 1cqe n HIS 207 N -3.74 0.00 -0.08 4.73 8.25 -0.92 -1.72 115.22 121.74 1cqe n HIS 207 Ca 0.02 0.00 -0.06 0.00 -0.26 0.00 0.00 57.72 57.41 1cqe n HIS 207 Cb 0.34 -0.07 -0.13 0.00 1.12 0.00 0.00 29.99 31.24 1cqe n HIS 207 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 1cqe n GLN 208 N -0.13 1.15 -0.00 -0.41 10.64 -0.95 -4.61 117.38 123.07 1cqe n GLN 208 Ca 0.00 -0.03 0.06 0.00 -1.83 0.00 0.00 57.00 55.20 1cqe n GLN 208 Cb 0.18 -1.44 -0.08 0.00 -0.86 0.00 0.00 30.24 28.04 1cqe n GLN 208 CO 0.00 0.00 0.00 1.97 -1.83 0.00 0.00 177.06 177.20 1cqe n PHE 209 N -2.58 0.00 -3.72 2.61 1.16 -1.04 -4.74 117.46 109.16 1cqe n PHE 209 Ca -0.25 0.00 -0.38 0.00 -1.87 0.00 0.00 57.45 54.95 1cqe n PHE 209 Cb 0.99 -0.16 -0.12 0.00 -1.61 0.00 0.00 39.48 38.58 1cqe n PHE 209 CO 0.00 0.00 0.00 -0.06 -1.87 0.00 0.00 176.76 174.83 1cqe s PHE 210 N -2.54 3.18 -0.47 2.97 0.08 -0.70 -4.79 117.98 115.72 1cqe s PHE 210 Ca -0.00 -0.97 0.06 0.00 0.12 0.00 0.00 56.93 56.13 1cqe s PHE 210 Cb 0.08 -2.30 0.27 0.00 -0.57 0.00 0.00 43.02 40.50 1cqe s PHE 210 CO 0.51 -0.59 0.98 1.17 -0.10 0.00 0.00 175.22 177.19 1cqe n LYS 211 N 4.90 0.80 -1.69 0.44 4.81 -1.26 -4.54 118.16 121.61 1cqe n LYS 211 Ca -0.14 -1.71 -0.44 0.00 -0.87 0.00 0.00 58.31 55.15 1cqe n LYS 211 Cb 0.47 -1.26 -0.04 0.00 0.02 0.00 0.00 35.03 34.23 1cqe n LYS 211 CO 0.00 0.00 0.00 2.41 1.17 0.00 0.00 177.40 180.98 1cqe n THR 212 N 1.26 0.12 -2.05 3.15 -1.04 -1.26 0.06 114.28 114.52 1cqe n THR 212 Ca 0.07 -0.02 -0.43 0.00 -2.04 0.00 0.00 64.05 61.63 1cqe n THR 212 Cb 0.66 -1.83 -0.03 0.00 -1.82 0.00 0.00 70.33 67.31 1cqe n THR 212 CO 0.00 0.00 0.00 -0.55 -0.64 0.00 0.00 175.07 173.88 1cqe s SER 213 N 1.60 6.12 0.23 8.00 0.15 0.20 -4.77 113.70 125.23 1cqe s SER 213 Ca 0.79 1.46 -0.04 0.00 0.70 0.00 0.00 55.95 58.86 1cqe s SER 213 Cb -0.58 -2.53 0.22 0.00 -1.71 0.00 0.00 66.02 61.42 1cqe s SER 213 CO 0.37 -1.49 1.67 1.23 1.20 0.00 0.00 173.24 176.21 1cqe h GLY 214 N 12.72 0.86 1.53 9.45 0.00 -1.87 -1.18 103.07 124.57 1cqe h GLY 214 Ca -0.34 -0.68 -0.09 0.00 0.00 0.00 0.00 47.33 46.22 1cqe h GLY 214 CO 1.02 0.62 -0.21 0.07 0.00 0.00 0.00 176.54 178.04 1cqe h LYS 215 N 0.71 0.55 0.00 4.80 -0.00 -1.98 -3.25 116.57 117.40 1cqe h LYS 215 Ca 0.11 -0.20 0.00 0.00 -0.00 0.00 0.00 60.65 60.56 1cqe h LYS 215 Cb 0.64 -0.04 0.00 0.00 -0.00 0.00 0.00 32.23 32.83 1cqe h LYS 215 CO 0.04 0.73 -1.00 -1.33 -0.00 0.00 0.00 179.45 177.89 1cqe n MET 216 N -4.14 0.57 0.00 0.07 2.81 -1.12 -5.08 117.12 110.23 1cqe n MET 216 Ca 0.00 0.11 0.00 0.00 -1.81 0.00 0.00 57.70 56.00 1cqe n MET 216 Cb 0.39 -1.80 0.00 0.00 -0.71 0.00 0.00 33.22 31.10 1cqe n MET 216 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 1cqe n GLY 217 N 1.20 -4.29 3.73 3.03 0.00 -0.46 -4.87 105.19 103.52 1cqe n GLY 217 Ca 0.00 -2.10 -0.35 0.00 0.00 0.00 0.00 46.02 43.57 1cqe n GLY 217 CO 0.00 0.00 0.00 -4.14 0.00 0.00 0.00 173.32 169.18 1cqe s PRO 218 N -0.98 2.42 0.00 1.61 0.02 -1.26 -2.77 135.00 134.04 1cqe s PRO 218 Ca 0.00 1.86 0.00 0.00 0.02 0.00 0.00 61.00 62.88 1cqe s PRO 218 Cb 0.00 -1.86 0.00 0.00 0.02 0.00 0.00 34.50 32.66 1cqe s PRO 218 CO 0.00 -1.64 0.00 0.41 -0.33 0.00 0.00 177.00 175.44 1cqe n GLY 219 N 0.55 1.35 3.34 0.52 0.00 -1.26 -5.02 105.19 104.67 1cqe n GLY 219 Ca 0.14 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.84 1cqe n GLY 219 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1cqe s PHE 220 N -3.11 2.60 0.09 1.61 0.08 -1.11 -1.31 117.98 116.83 1cqe s PHE 220 Ca 0.00 -0.60 0.09 0.00 0.12 0.00 0.00 56.93 56.54 1cqe s PHE 220 Cb 0.00 -1.68 -0.03 0.00 -0.57 0.00 0.00 43.02 40.74 1cqe s PHE 220 CO 0.00 -0.14 -0.23 -0.08 -0.10 0.00 0.00 175.22 174.67 1cqe s THR 221 N -0.13 1.91 -0.72 0.64 -1.32 0.39 0.59 115.64 117.00 1cqe s THR 221 Ca -0.03 -1.53 0.21 0.00 -1.21 0.00 0.00 61.69 59.13 1cqe s THR 221 Cb -0.14 -1.69 -0.25 0.00 -1.51 0.00 0.00 72.50 68.91 1cqe s THR 221 CO 0.04 0.07 0.81 0.29 -2.21 0.00 0.00 174.62 173.62 1cqe n LYS 222 N 1.23 0.19 -2.62 7.08 5.02 0.11 -4.62 118.16 124.55 1cqe n LYS 222 Ca -0.18 -0.05 -0.43 0.00 -2.02 0.00 0.00 58.31 55.62 1cqe n LYS 222 Cb 0.53 -1.51 0.00 0.00 -0.02 0.00 0.00 35.03 34.03 1cqe n LYS 222 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1cqe n ALA 223 N -1.72 4.57 0.36 7.82 0.00 -1.25 -4.80 120.51 125.48 1cqe n ALA 223 Ca 0.02 -4.24 0.05 0.00 0.00 0.00 0.00 53.44 49.26 1cqe n ALA 223 Cb 0.40 -3.07 0.22 0.00 0.00 0.00 0.00 19.45 17.00 1cqe n ALA 223 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 1cqe n LEU 224 N 5.03 0.00 0.23 0.00 4.77 -1.26 -2.05 117.00 123.72 1cqe n LEU 224 Ca 0.39 0.48 0.10 0.00 -0.03 0.00 0.00 56.01 56.96 1cqe n LEU 224 Cb 0.40 -0.48 0.48 0.00 -2.33 0.00 0.00 43.42 41.49 1cqe n LEU 224 CO 0.73 -0.32 0.82 1.23 -1.33 0.00 0.00 177.39 178.51 1cqe h GLY 225 N 1.74 0.00 -6.59 -0.72 0.00 -1.90 -3.47 103.07 92.13 1cqe h GLY 225 Ca 0.00 0.00 -0.52 0.00 0.00 0.00 0.00 47.33 46.81 1cqe h GLY 225 CO 0.00 0.00 -0.88 1.42 0.00 0.00 0.00 176.54 177.08 1cqe n HIS 226 N -3.41 -1.65 -3.93 5.60 8.25 -0.87 -4.77 115.22 114.44 1cqe n HIS 226 Ca -0.00 0.75 0.00 0.00 -0.26 0.00 0.00 57.72 58.21 1cqe n HIS 226 Cb 0.41 -3.52 0.00 0.00 1.12 0.00 0.00 29.99 28.01 1cqe n HIS 226 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1cqe n GLY 227 N -1.91 -0.69 3.04 -1.41 0.00 -1.26 -4.17 105.19 98.79 1cqe n GLY 227 Ca -0.23 -1.11 -0.42 0.00 0.00 0.00 0.00 46.02 44.27 1cqe n GLY 227 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 1cqe n VAL 228 N 8.36 3.30 1.03 1.61 0.31 -1.26 -4.43 118.33 127.25 1cqe n VAL 228 Ca 0.00 -3.07 0.12 0.00 -0.01 0.00 0.00 64.34 61.38 1cqe n VAL 228 Cb 0.00 -2.48 0.08 0.00 -0.91 0.00 0.00 33.84 30.53 1cqe n VAL 228 CO 0.00 0.00 0.00 -0.90 -1.32 0.00 0.00 176.83 174.61 1cqe n ASP 229 N 7.31 2.38 -3.18 4.52 5.75 -1.26 -4.96 116.55 127.11 1cqe n ASP 229 Ca 0.51 -1.69 -0.23 0.00 -0.01 0.00 0.00 54.79 53.36 1cqe n ASP 229 Cb 0.41 0.24 0.04 0.00 -1.03 0.00 0.00 41.12 40.78 1cqe n ASP 229 CO 0.00 0.00 0.00 0.18 -0.11 0.00 0.00 177.20 177.27 1cqe n LEU 230 N 0.55 -2.64 0.07 -2.12 4.77 -1.26 -4.88 117.00 111.48 1cqe n LEU 230 Ca 0.12 -0.35 0.12 0.00 -0.03 0.00 0.00 56.01 55.86 1cqe n LEU 230 Cb 0.51 -2.87 0.46 0.00 -2.33 0.00 0.00 43.42 39.19 1cqe n LEU 230 CO 0.22 0.29 0.86 0.61 -1.33 0.00 0.00 177.39 178.04 1cqe n GLY 231 N -1.56 -1.39 0.13 -0.72 0.00 -1.26 -1.92 105.19 98.48 1cqe n GLY 231 Ca -0.08 -0.01 0.11 0.00 0.00 0.00 0.00 46.02 46.04 1cqe n GLY 231 CO 0.00 0.00 0.00 -2.39 0.00 0.00 0.00 173.32 170.93 1cqe n HIS 232 N -1.95 0.04 -0.02 1.61 1.44 -1.26 -0.76 115.22 114.31 1cqe n HIS 232 Ca 0.04 -0.02 -0.05 0.00 -2.01 0.00 0.00 57.72 55.68 1cqe n HIS 232 Cb 0.30 0.00 -0.02 0.00 0.12 0.00 0.00 29.99 30.39 1cqe n HIS 232 CO 0.00 0.00 0.00 -0.89 -2.81 0.00 0.00 176.34 172.64 1cqe n ILE 233 N -0.55 0.27 0.36 0.61 5.41 -0.81 -2.68 119.36 121.98 1cqe n ILE 233 Ca 0.16 -0.08 0.11 0.00 1.00 0.00 0.00 62.75 63.95 1cqe n ILE 233 Cb 0.14 -1.37 0.02 0.00 -0.71 0.00 0.00 39.64 37.72 1cqe n ILE 233 CO 0.00 0.00 0.00 -1.22 0.00 0.00 0.00 176.55 175.33 1cqe n TYR 234 N -3.09 0.51 0.00 1.39 4.01 -0.98 -2.82 117.16 116.18 1cqe n TYR 234 Ca -0.09 0.15 0.00 0.00 -0.16 0.00 0.00 57.90 57.80 1cqe n TYR 234 Cb 0.57 -0.65 0.00 0.00 -0.31 0.00 0.00 39.34 38.95 1cqe n TYR 234 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 1cqe n GLY 235 N 1.29 2.94 0.62 2.72 0.00 0.06 -3.34 105.19 109.48 1cqe n GLY 235 Ca 0.01 -1.70 0.08 0.00 0.00 0.00 0.00 46.02 44.41 1cqe n GLY 235 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 1cqe n ASP 236 N 0.00 1.82 -3.64 1.61 5.68 -1.24 -4.61 116.55 116.17 1cqe n ASP 236 Ca 0.00 -1.88 -0.15 0.00 -0.50 0.00 0.00 54.79 52.26 1cqe n ASP 236 Cb 0.00 -0.18 -0.07 0.00 -1.14 0.00 0.00 41.12 39.72 1cqe n ASP 236 CO 0.00 0.00 0.00 0.54 -1.33 0.00 0.00 177.20 176.41 1cqe s ASN 237 N -1.24 -0.48 0.24 -1.12 4.22 -1.26 -4.84 114.94 110.46 1cqe s ASN 237 Ca 0.28 0.58 -0.06 0.00 -2.14 0.00 0.00 52.86 51.52 1cqe s ASN 237 Cb 0.15 0.59 0.44 0.00 1.28 0.00 0.00 41.25 43.70 1cqe s ASN 237 CO 0.21 -0.47 1.69 0.25 -2.04 0.00 0.00 177.10 176.73 1cqe h LEU 238 N 3.77 -0.00 -0.21 3.54 5.85 -1.94 -1.61 115.31 124.72 1cqe h LEU 238 Ca -0.28 0.14 0.04 0.00 0.84 0.00 0.00 57.88 58.63 1cqe h LEU 238 Cb 1.16 0.20 -0.04 0.00 0.37 0.00 0.00 40.66 42.35 1cqe h LEU 238 CO 0.34 -0.04 -0.06 -0.33 -0.34 0.00 0.00 178.44 178.02 1cqe h GLU 239 N 0.26 -0.01 -0.94 1.25 5.08 -1.97 -0.74 114.58 117.51 1cqe h GLU 239 Ca 0.40 0.00 0.05 0.00 -1.00 0.00 0.00 59.36 58.82 1cqe h GLU 239 Cb 0.68 0.00 -0.06 0.00 0.50 0.00 0.00 28.75 29.87 1cqe h GLU 239 CO -0.50 -0.01 0.60 -0.09 -1.00 0.00 0.00 179.01 178.01 1cqe h ARG 240 N -0.01 1.08 -0.20 2.33 2.43 -1.66 -1.56 114.38 116.79 1cqe h ARG 240 Ca 0.10 -0.07 0.00 0.00 -0.81 0.00 0.00 59.98 59.21 1cqe h ARG 240 Cb 0.17 -0.24 -0.01 0.00 -0.42 0.00 0.00 29.97 29.46 1cqe h ARG 240 CO -0.22 0.72 0.13 0.37 -1.51 0.00 0.00 179.97 179.45 1cqe h GLN 241 N 1.12 0.26 -0.00 0.20 4.15 -0.71 -1.39 115.11 118.74 1cqe h GLN 241 Ca 0.39 -0.02 0.00 0.00 0.77 0.00 0.00 58.65 59.80 1cqe h GLN 241 Cb 0.11 -0.06 -0.00 0.00 0.21 0.00 0.00 27.48 27.75 1cqe h GLN 241 CO -0.16 0.17 0.00 1.88 -1.93 0.00 0.00 178.83 178.80 1cqe h TYR 242 N 0.26 0.00 -0.14 3.99 0.05 -0.47 -1.04 116.97 119.62 1cqe h TYR 242 Ca 0.07 0.00 -0.18 0.00 0.05 0.00 0.00 58.73 58.67 1cqe h TYR 242 Cb -0.03 0.00 -0.00 0.00 1.01 0.00 0.00 36.73 37.71 1cqe h TYR 242 CO -0.06 0.00 -0.65 0.37 -1.05 0.00 0.00 178.16 176.77 1cqe h GLN 243 N 0.00 0.54 0.00 4.88 5.75 -0.33 -3.09 115.11 122.86 1cqe h GLN 243 Ca 0.00 -0.39 0.00 0.00 -0.15 0.00 0.00 58.65 58.11 1cqe h GLN 243 Cb 0.01 0.06 0.00 0.00 1.07 0.00 0.00 27.48 28.62 1cqe h GLN 243 CO -0.00 1.01 -0.32 1.28 -2.65 0.00 0.00 178.83 178.15 1cqe n LEU 244 N -3.91 0.65 -4.74 -2.39 4.77 -0.60 -4.71 117.00 106.07 1cqe n LEU 244 Ca -0.04 0.36 -0.40 0.00 -0.03 0.00 0.00 56.01 55.90 1cqe n LEU 244 Cb 0.66 -0.27 -0.05 0.00 -2.33 0.00 0.00 43.42 41.43 1cqe n LEU 244 CO 0.48 -0.08 0.57 -0.13 -1.33 0.00 0.00 177.39 176.90 1cqe s ARG 245 N -3.11 4.63 0.21 3.23 0.52 -0.50 -0.84 118.95 123.09 1cqe s ARG 245 Ca 0.09 1.28 0.09 0.00 -0.52 0.00 0.00 55.73 56.67 1cqe s ARG 245 Cb 0.14 -3.34 0.14 0.00 0.52 0.00 0.00 34.95 32.41 1cqe s ARG 245 CO 0.65 0.33 1.48 1.25 0.02 0.00 0.00 175.30 179.04 1cqe h LEU 246 N 5.23 0.02 -0.13 2.53 5.85 -1.49 -3.43 115.31 123.88 1cqe h LEU 246 Ca -0.44 -0.01 -0.28 0.00 0.84 0.00 0.00 57.88 57.98 1cqe h LEU 246 Cb 1.21 -0.01 0.07 0.00 0.37 0.00 0.00 40.66 42.30 1cqe h LEU 246 CO 0.70 0.77 -0.45 0.49 -0.34 0.00 0.00 178.44 179.61 1cqe n PHE 247 N -3.64 -1.69 -3.68 1.25 3.72 -1.23 -4.98 117.46 107.21 1cqe n PHE 247 Ca -0.01 0.53 -0.10 0.00 -0.05 0.00 0.00 57.45 57.83 1cqe n PHE 247 Cb 0.74 -3.65 -0.10 0.00 -0.94 0.00 0.00 39.48 35.52 1cqe n PHE 247 CO 0.00 0.00 0.00 0.15 -0.05 0.00 0.00 176.76 176.86 1cqe s LYS 248 N -5.62 0.35 -1.74 -1.08 -0.14 -1.26 -4.88 119.74 105.37 1cqe s LYS 248 Ca 0.31 0.91 0.00 0.00 -1.36 0.00 0.00 55.97 55.83 1cqe s LYS 248 Cb -0.14 0.15 0.00 0.00 -1.68 0.00 0.00 37.83 36.16 1cqe s LYS 248 CO 0.38 -0.21 0.00 -0.25 -0.76 0.00 0.00 175.35 174.51 1cqe n ASP 249 N 4.86 -4.71 0.00 2.83 9.92 -1.26 -0.68 116.55 127.51 1cqe n ASP 249 Ca -0.15 0.33 0.00 0.00 -0.53 0.00 0.00 54.79 54.43 1cqe n ASP 249 Cb 0.52 -4.15 0.00 0.00 -0.64 0.00 0.00 41.12 36.85 1cqe n ASP 249 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 1cqe n GLY 250 N -0.50 0.53 3.77 0.44 0.00 -1.24 -4.68 105.19 103.51 1cqe n GLY 250 Ca -0.18 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.52 1cqe n GLY 250 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1cqe s LYS 251 N -0.45 2.45 0.04 1.61 3.01 0.15 -4.13 119.74 122.42 1cqe s LYS 251 Ca 0.00 1.27 -0.00 0.00 -1.01 0.00 0.00 55.97 56.23 1cqe s LYS 251 Cb 0.00 -1.91 -0.04 0.00 -1.01 0.00 0.00 37.83 34.87 1cqe s LYS 251 CO 0.00 -1.50 0.17 -1.17 0.51 0.00 0.00 175.35 173.36 1cqe s LEU 252 N -5.50 4.23 0.94 3.17 2.96 -1.26 -1.47 118.68 121.74 1cqe s LEU 252 Ca 0.64 0.23 -0.11 0.00 -0.22 0.00 0.00 54.13 54.66 1cqe s LEU 252 Cb -0.19 -2.75 0.15 0.00 0.50 0.00 0.00 46.19 43.90 1cqe s LEU 252 CO 0.50 0.20 1.09 -0.54 -1.32 0.00 0.00 176.35 176.28 1cqe s LYS 253 N -2.31 0.91 0.04 1.98 1.02 -0.02 -4.53 119.74 116.83 1cqe s LYS 253 Ca 0.31 1.01 -0.24 0.00 0.02 0.00 0.00 55.97 57.07 1cqe s LYS 253 Cb -0.13 -1.75 0.08 0.00 -0.52 0.00 0.00 37.83 35.51 1cqe s LYS 253 CO 0.24 -2.53 1.11 2.48 -0.92 0.00 0.00 175.35 175.73 1cqe n TYR 254 N -4.11 -0.68 -3.90 3.18 0.18 -1.26 -4.36 117.16 106.21 1cqe n TYR 254 Ca 0.07 -0.84 -0.10 0.00 1.88 0.00 0.00 57.90 58.92 1cqe n TYR 254 Cb 0.54 0.39 -0.09 0.00 -0.38 0.00 0.00 39.34 39.81 1cqe n TYR 254 CO 0.00 0.00 0.00 1.14 -2.08 0.00 0.00 176.86 175.92 1cqe s GLN 255 N -2.02 0.66 -0.18 -3.48 -2.07 0.88 -4.57 119.66 108.88 1cqe s GLN 255 Ca 0.26 -0.76 -0.06 0.00 -1.82 0.00 0.00 55.36 52.97 1cqe s GLN 255 Cb -0.01 0.26 -0.03 0.00 -1.09 0.00 0.00 33.01 32.14 1cqe s GLN 255 CO 0.01 -0.18 0.03 -1.64 -1.32 0.00 0.00 175.29 172.19 1cqe s MET 256 N -2.83 3.83 -0.03 9.60 -1.94 -1.25 0.24 119.30 126.92 1cqe s MET 256 Ca -0.03 -0.42 -0.01 0.00 -1.71 0.00 0.00 55.69 53.52 1cqe s MET 256 Cb 0.00 -3.12 0.03 0.00 2.01 0.00 0.00 34.83 33.75 1cqe s MET 256 CO -0.05 0.20 0.04 -0.51 -0.01 0.00 0.00 175.02 174.69 1cqe s LEU 257 N 0.53 0.55 -1.66 -0.03 1.43 0.12 -4.77 118.68 114.85 1cqe s LEU 257 Ca 0.01 0.05 -0.02 0.00 -1.03 0.00 0.00 54.13 53.14 1cqe s LEU 257 Cb -0.13 -0.13 0.00 0.00 0.03 0.00 0.00 46.19 45.96 1cqe s LEU 257 CO 0.02 -0.20 0.31 0.59 0.23 0.00 0.00 176.35 177.30 1cqe n ASN 258 N 4.83 -6.00 0.00 2.29 3.02 -1.26 -0.23 115.26 117.91 1cqe n ASN 258 Ca -0.14 -0.15 0.00 0.00 -0.03 0.00 0.00 54.58 54.26 1cqe n ASN 258 Cb 0.50 -4.92 0.00 0.00 -0.61 0.00 0.00 39.78 34.75 1cqe n ASN 258 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1cqe n GLY 259 N -1.27 0.29 3.62 7.41 0.00 -1.26 -4.99 105.19 108.98 1cqe n GLY 259 Ca -0.18 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.57 1cqe n GLY 259 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1cqe s GLU 260 N -0.90 2.25 -0.06 1.61 0.41 0.68 -5.06 118.70 117.64 1cqe s GLU 260 Ca 0.00 -1.15 -0.20 0.00 -0.41 0.00 0.00 54.97 53.21 1cqe s GLU 260 Cb 0.00 -2.28 -0.05 0.00 -1.78 0.00 0.00 34.13 30.02 1cqe s GLU 260 CO 0.00 0.46 0.56 0.08 -0.49 0.00 0.00 175.26 175.87 1cqe s VAL 261 N -1.65 5.04 0.07 2.63 1.01 -1.26 0.16 120.40 126.40 1cqe s VAL 261 Ca 0.26 1.16 -0.01 0.00 0.00 0.00 0.00 61.98 63.39 1cqe s VAL 261 Cb -0.09 -3.90 -0.04 0.00 0.00 0.00 0.00 36.38 32.35 1cqe s VAL 261 CO 0.17 0.36 -0.02 -0.31 0.00 0.00 0.00 175.10 175.30 1cqe s TYR 262 N 0.25 0.61 0.62 5.22 2.02 0.14 -4.95 117.35 121.26 1cqe s TYR 262 Ca 0.30 -1.09 -0.18 0.00 -0.37 0.00 0.00 57.07 55.73 1cqe s TYR 262 Cb -0.17 -0.42 -0.04 0.00 -0.40 0.00 0.00 41.96 40.93 1cqe s TYR 262 CO 0.15 -0.39 0.96 -2.30 -1.57 0.00 0.00 175.55 172.40 1cqe n PRO 263 N 0.06 0.83 -0.58 -1.71 -0.02 -1.26 -0.08 135.00 132.24 1cqe n PRO 263 Ca -0.12 0.33 -0.28 0.00 -2.02 0.00 0.00 63.50 61.40 1cqe n PRO 263 Cb 0.61 -2.18 0.26 0.00 -0.02 0.00 0.00 33.50 32.17 1cqe n PRO 263 CO 0.00 0.00 0.00 -1.25 1.98 0.00 0.00 175.50 176.23 1cqe s PRO 264 N -2.85 -1.24 0.48 0.52 0.04 -1.26 -4.28 135.00 126.41 1cqe s PRO 264 Ca 0.77 0.66 -0.06 0.00 0.04 0.00 0.00 61.00 62.40 1cqe s PRO 264 Cb -0.40 -1.53 -0.04 0.00 0.04 0.00 0.00 34.50 32.57 1cqe s PRO 264 CO 0.46 -3.89 0.80 -1.54 0.04 0.00 0.00 177.00 172.87 1cqe s SER 265 N -2.70 6.27 0.08 6.66 1.04 -1.26 -1.42 113.70 122.37 1cqe s SER 265 Ca 0.68 0.96 0.13 0.00 0.48 0.00 0.00 55.95 58.21 1cqe s SER 265 Cb -0.23 -2.26 0.59 0.00 0.10 0.00 0.00 66.02 64.22 1cqe s SER 265 CO 0.63 -0.58 1.42 0.52 0.98 0.00 0.00 173.24 176.21 1cqe n VAL 266 N -2.24 1.20 0.14 5.02 0.31 -0.50 -0.28 118.33 121.99 1cqe n VAL 266 Ca 0.01 0.35 -0.24 0.00 -0.01 0.00 0.00 64.34 64.45 1cqe n VAL 266 Cb 0.55 -1.21 -0.16 0.00 -0.91 0.00 0.00 33.84 32.11 1cqe n VAL 266 CO 0.00 0.00 0.00 -0.08 -1.32 0.00 0.00 176.83 175.43 1cqe h GLU 267 N 0.00 0.51 0.08 5.55 4.81 -1.84 -2.32 114.58 121.37 1cqe h GLU 267 Ca 0.00 -0.87 -0.26 0.00 -0.13 0.00 0.00 59.36 58.10 1cqe h GLU 267 Cb 0.19 0.32 0.01 0.00 0.63 0.00 0.00 28.75 29.90 1cqe h GLU 267 CO 0.00 1.42 -1.12 0.93 -0.73 0.00 0.00 179.01 179.50 1cqe h GLU 268 N 0.14 0.36 -2.64 1.92 4.39 -1.56 -3.38 114.58 113.81 1cqe h GLU 268 Ca -0.25 -0.50 -0.60 0.00 0.34 0.00 0.00 59.36 58.35 1cqe h GLU 268 Cb 2.15 0.17 -0.40 0.00 -0.10 0.00 0.00 28.75 30.57 1cqe h GLU 268 CO 0.27 1.19 -0.82 0.00 -1.16 0.00 0.00 179.01 178.48 1cqe s ALA 269 N -2.94 2.31 -0.18 3.43 0.00 0.61 -4.95 121.76 120.04 1cqe s ALA 269 Ca -0.05 -2.97 -0.30 0.00 0.00 0.00 0.00 51.96 48.64 1cqe s ALA 269 Cb 0.08 -1.81 -0.36 0.00 0.00 0.00 0.00 23.12 21.03 1cqe s ALA 269 CO 0.88 -2.02 1.68 -0.35 0.00 0.00 0.00 175.76 175.95 1cqe n PRO 270 N 2.54 0.02 -4.69 0.00 -0.04 -0.87 -4.36 135.00 127.59 1cqe n PRO 270 Ca 0.26 -1.12 -0.32 0.00 -0.04 0.00 0.00 63.50 62.28 1cqe n PRO 270 Cb 0.43 -2.75 -0.12 0.00 -0.04 0.00 0.00 33.50 31.02 1cqe n PRO 270 CO 0.00 0.00 0.00 0.54 -0.04 0.00 0.00 175.50 176.00 1cqe s VAL 271 N 8.79 3.13 0.03 0.52 0.11 -1.26 -5.08 120.40 126.64 1cqe s VAL 271 Ca 0.71 -0.90 -0.30 0.00 -2.93 0.00 0.00 61.98 58.56 1cqe s VAL 271 Cb 0.12 -2.30 -0.07 0.00 -1.53 0.00 0.00 36.38 32.60 1cqe s VAL 271 CO 0.32 0.45 1.51 -0.22 -3.33 0.00 0.00 175.10 173.83 1cqe s LEU 272 N -1.17 4.34 0.15 2.54 2.96 -1.26 -4.96 118.68 121.28 1cqe s LEU 272 Ca 0.14 2.28 0.07 0.00 -0.22 0.00 0.00 54.13 56.41 1cqe s LEU 272 Cb -0.11 -3.56 -0.04 0.00 0.50 0.00 0.00 46.19 42.98 1cqe s LEU 272 CO 0.04 -0.79 -0.16 -0.04 -1.32 0.00 0.00 176.35 174.08 1cqe s MET 273 N 2.48 1.16 -0.71 1.98 -1.94 -1.26 -4.56 119.30 116.45 1cqe s MET 273 Ca 0.68 -1.35 -0.14 0.00 -1.71 0.00 0.00 55.69 53.17 1cqe s MET 273 Cb -0.35 -1.10 0.18 0.00 2.01 0.00 0.00 34.83 35.57 1cqe s MET 273 CO 0.29 0.21 0.65 -1.01 -0.01 0.00 0.00 175.02 175.15 1cqe s HIS 274 N -2.23 3.56 -0.04 -0.03 0.09 0.38 -5.02 115.29 111.99 1cqe s HIS 274 Ca 0.13 -1.75 0.05 0.00 -0.00 0.00 0.00 55.06 53.50 1cqe s HIS 274 Cb -0.05 -3.79 -0.01 0.00 -0.00 0.00 0.00 32.58 28.74 1cqe s HIS 274 CO 0.05 -1.00 -0.20 0.71 -0.00 0.00 0.00 174.74 174.30 1cqe s TYR 275 N 0.72 1.95 0.41 1.40 2.02 -1.26 -4.58 117.35 118.00 1cqe s TYR 275 Ca 0.12 -0.53 -0.25 0.00 -0.37 0.00 0.00 57.07 56.04 1cqe s TYR 275 Cb -0.18 -1.29 -0.11 0.00 -0.40 0.00 0.00 41.96 39.98 1cqe s TYR 275 CO -0.04 -0.15 1.00 -0.35 -1.57 0.00 0.00 175.55 174.44 1cqe n PRO 276 N 2.97 1.34 -1.69 -1.71 -0.04 -1.26 -4.85 135.00 129.77 1cqe n PRO 276 Ca -0.17 0.48 -0.42 0.00 -0.04 0.00 0.00 63.50 63.35 1cqe n PRO 276 Cb 0.53 -2.02 -0.03 0.00 -0.04 0.00 0.00 33.50 31.94 1cqe n PRO 276 CO 0.00 0.00 0.00 1.03 -0.04 0.00 0.00 175.50 176.49 1cqe s ARG 277 N -1.96 4.14 0.00 0.54 0.52 -1.26 -2.61 118.95 118.32 1cqe s ARG 277 Ca 0.63 2.60 0.00 0.00 -0.52 0.00 0.00 55.73 58.44 1cqe s ARG 277 Cb -0.57 -4.05 0.00 0.00 0.52 0.00 0.00 34.95 30.85 1cqe s ARG 277 CO 0.57 -0.93 0.00 0.41 0.02 0.00 0.00 175.30 175.37 1cqe n GLY 278 N 4.48 1.41 3.64 -3.53 0.00 -1.26 -5.10 105.19 104.83 1cqe n GLY 278 Ca 0.19 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.81 1cqe n GLY 278 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1cqe s ILE 279 N -1.38 4.94 0.57 -0.61 1.01 -1.07 -5.04 121.20 119.61 1cqe s ILE 279 Ca 0.00 1.30 -0.20 0.00 0.00 0.00 0.00 60.65 61.75 1cqe s ILE 279 Cb 0.00 -4.00 -0.05 0.00 0.01 0.00 0.00 42.46 38.42 1cqe s ILE 279 CO 0.00 0.02 1.14 -2.65 0.00 0.00 0.00 174.94 173.45 1cqe n PRO 280 N 5.59 1.23 0.19 2.79 -0.02 -1.26 -4.85 135.00 138.67 1cqe n PRO 280 Ca 0.01 0.46 0.04 0.00 -2.02 0.00 0.00 63.50 61.99 1cqe n PRO 280 Cb 0.49 -2.33 0.36 0.00 -0.02 0.00 0.00 33.50 32.00 1cqe n PRO 280 CO 0.00 0.00 0.00 -1.35 1.98 0.00 0.00 175.50 176.13 1cqe h PRO 281 N 0.92 0.00 -0.01 0.52 0.11 -1.96 -0.14 132.00 131.44 1cqe h PRO 281 Ca -0.49 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.62 1cqe h PRO 281 Cb 1.34 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 32.45 1cqe h PRO 281 CO 0.54 0.38 0.09 0.37 -0.21 0.00 0.00 178.00 179.17 1cqe h GLN 282 N 0.00 0.00 -0.35 1.05 4.15 -1.98 0.08 115.11 118.05 1cqe h GLN 282 Ca -0.00 0.00 0.00 0.00 0.77 0.00 0.00 58.65 59.42 1cqe h GLN 282 Cb 0.75 0.00 0.00 0.00 0.21 0.00 0.00 27.48 28.44 1cqe h GLN 282 CO 0.05 0.00 0.00 0.43 -1.93 0.00 0.00 178.83 177.38 1cqe n SER 283 N -3.13 3.12 -4.57 -0.69 7.64 -0.07 -4.94 113.62 110.98 1cqe n SER 283 Ca -0.03 -2.16 -0.34 0.00 1.01 0.00 0.00 58.87 57.36 1cqe n SER 283 Cb 0.15 -0.29 -0.11 0.00 -1.01 0.00 0.00 64.21 62.96 1cqe n SER 283 CO 0.00 0.00 0.00 -1.10 -3.01 0.00 0.00 175.04 170.93 1cqe s GLN 284 N -1.28 3.64 -0.11 1.43 -0.21 0.01 -4.91 119.66 118.24 1cqe s GLN 284 Ca 0.27 -0.45 -0.10 0.00 0.02 0.00 0.00 55.36 55.10 1cqe s GLN 284 Cb 0.16 -2.97 -0.05 0.00 1.00 0.00 0.00 33.01 31.15 1cqe s GLN 284 CO 0.15 0.33 0.21 -1.64 -2.12 0.00 0.00 175.29 172.22 1cqe s MET 285 N 0.16 3.75 -0.25 2.91 -1.94 -1.26 -1.41 119.30 121.25 1cqe s MET 285 Ca 0.01 -0.00 -0.14 0.00 -1.71 0.00 0.00 55.69 53.84 1cqe s MET 285 Cb -0.13 -3.26 -0.04 0.00 2.01 0.00 0.00 34.83 33.41 1cqe s MET 285 CO 0.02 0.62 0.34 0.00 -0.01 0.00 0.00 175.02 175.99 1cqe s ALA 286 N -0.65 3.57 0.30 3.03 0.00 -0.50 -4.78 121.76 122.72 1cqe s ALA 286 Ca 0.16 -0.79 0.03 0.00 0.00 0.00 0.00 51.96 51.36 1cqe s ALA 286 Cb -0.13 -2.63 -0.04 0.00 0.00 0.00 0.00 23.12 20.33 1cqe s ALA 286 CO 0.05 -0.52 0.17 0.14 0.00 0.00 0.00 175.76 175.61 1cqe s VAL 287 N 1.76 0.24 0.12 0.00 -7.23 -1.26 -4.28 120.40 109.75 1cqe s VAL 287 Ca 0.14 -2.00 -0.27 0.00 -1.81 0.00 0.00 61.98 58.04 1cqe s VAL 287 Cb -0.15 -2.51 -0.06 0.00 0.56 0.00 0.00 36.38 34.22 1cqe s VAL 287 CO 0.09 0.00 1.62 1.23 -0.31 0.00 0.00 175.10 177.73 1cqe h GLY 288 N 2.24 -0.51 -5.90 2.32 0.00 -1.61 -3.40 103.07 96.21 1cqe h GLY 288 Ca -0.33 0.36 -0.59 0.00 0.00 0.00 0.00 47.33 46.77 1cqe h GLY 288 CO 0.50 -0.23 0.51 1.62 0.00 0.00 0.00 176.54 178.94 1cqe s GLN 289 N -6.02 4.10 0.49 4.80 -0.44 -1.09 -4.29 119.66 117.20 1cqe s GLN 289 Ca -0.16 0.86 0.20 0.00 -2.50 0.00 0.00 55.36 53.76 1cqe s GLN 289 Cb 0.09 -3.69 1.24 0.00 -1.64 0.00 0.00 33.01 29.02 1cqe s GLN 289 CO 0.65 -0.63 2.01 0.93 0.50 0.00 0.00 175.29 178.76 1cqe h GLU 290 N 7.87 0.14 0.00 1.67 3.07 -1.80 -2.29 114.58 123.24 1cqe h GLU 290 Ca -0.23 -0.01 0.00 0.00 -0.50 0.00 0.00 59.36 58.62 1cqe h GLU 290 Cb 1.09 -0.03 0.00 0.00 -0.84 0.00 0.00 28.75 28.97 1cqe h GLU 290 CO 0.90 0.10 -0.48 1.55 -1.40 0.00 0.00 179.01 179.68 1cqe n VAL 291 N -4.44 0.41 0.00 3.13 3.14 -1.26 -0.47 118.33 118.84 1cqe n VAL 291 Ca 0.08 -0.28 0.00 0.00 -2.96 0.00 0.00 64.34 61.18 1cqe n VAL 291 Cb 0.45 -0.23 0.00 0.00 -1.06 0.00 0.00 33.84 32.99 1cqe n VAL 291 CO 0.00 0.00 0.00 0.49 -6.46 0.00 0.00 176.83 170.86 1cqe n PHE 292 N -2.15 0.00 0.49 1.45 3.01 -0.86 -2.46 117.46 116.94 1cqe n PHE 292 Ca 0.04 0.00 0.13 0.00 1.01 0.00 0.00 57.45 58.63 1cqe n PHE 292 Cb 0.44 -0.35 0.42 0.00 -0.01 0.00 0.00 39.48 39.98 1cqe n PHE 292 CO 0.00 0.00 0.00 0.78 1.01 0.00 0.00 176.76 178.55 1cqe h GLY 293 N 0.00 0.00 1.75 1.37 0.00 -1.82 -3.27 103.07 101.11 1cqe h GLY 293 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 1cqe h GLY 293 CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 176.54 176.44 1cqe n LEU 294 N -2.42 0.00 -3.65 3.11 0.00 -1.03 -4.53 117.00 108.48 1cqe n LEU 294 Ca 0.04 0.38 -0.08 0.00 0.00 0.00 0.00 56.01 56.35 1cqe n LEU 294 Cb 0.38 -0.38 -0.08 0.00 0.00 0.00 0.00 43.42 43.34 1cqe n LEU 294 CO 0.28 -0.23 0.28 -0.76 0.00 0.00 0.00 177.39 176.96 1cqe s LEU 295 N -2.75 -0.75 0.41 -1.96 1.43 -1.25 -0.41 118.68 113.39 1cqe s LEU 295 Ca 0.09 1.38 0.13 0.00 -1.03 0.00 0.00 54.13 54.69 1cqe s LEU 295 Cb 0.08 2.16 0.97 0.00 0.03 0.00 0.00 46.19 49.42 1cqe s LEU 295 CO 0.19 -0.23 1.93 -0.65 0.23 0.00 0.00 176.35 177.82 1cqe h PRO 296 N 6.99 0.49 -0.95 1.29 0.11 -1.84 -0.84 132.00 137.25 1cqe h PRO 296 Ca -0.31 -0.03 -0.00 0.00 0.11 0.00 0.00 66.00 65.77 1cqe h PRO 296 Cb 1.22 -0.11 -0.05 0.00 0.11 0.00 0.00 31.00 32.17 1cqe h PRO 296 CO 0.19 0.32 0.59 0.78 -0.21 0.00 0.00 178.00 179.67 1cqe h GLY 297 N 0.50 1.36 0.47 -0.55 0.00 -1.95 0.14 103.07 103.03 1cqe h GLY 297 Ca 0.35 -0.55 -0.01 0.00 0.00 0.00 0.00 47.33 47.13 1cqe h GLY 297 CO -0.12 0.53 -0.10 1.41 0.00 0.00 0.00 176.54 178.26 1cqe h LEU 298 N 1.30 -0.24 -2.62 3.11 3.38 -1.45 -3.05 115.31 115.73 1cqe h LEU 298 Ca 0.34 -0.29 -0.00 0.00 0.09 0.00 0.00 57.88 58.02 1cqe h LEU 298 Cb -0.09 0.06 -0.00 0.00 0.09 0.00 0.00 40.66 40.73 1cqe h LEU 298 CO -0.07 0.24 -0.01 -0.03 0.09 0.00 0.00 178.44 178.66 1cqe h MET 299 N -0.83 0.00 0.01 1.13 4.05 -1.35 -0.49 114.93 117.45 1cqe h MET 299 Ca -0.03 0.00 -0.00 0.00 -0.28 0.00 0.00 59.70 59.39 1cqe h MET 299 Cb 0.51 0.00 0.00 0.00 -0.80 0.00 0.00 31.60 31.31 1cqe h MET 299 CO 0.05 0.01 -0.00 1.25 0.23 0.00 0.00 176.91 178.45 1cqe h LEU 300 N 0.00 -0.01 -1.07 3.39 5.85 -0.67 -2.08 115.31 120.71 1cqe h LEU 300 Ca -0.00 -0.36 -0.08 0.00 0.84 0.00 0.00 57.88 58.28 1cqe h LEU 300 Cb 0.08 0.00 -0.01 0.00 0.37 0.00 0.00 40.66 41.10 1cqe h LEU 300 CO 0.00 0.35 -0.24 1.88 -0.34 0.00 0.00 178.44 180.09 1cqe h TYR 301 N -0.37 0.40 -0.35 1.25 0.05 -1.19 -2.08 116.97 114.69 1cqe h TYR 301 Ca -0.00 -0.08 -0.06 0.00 0.05 0.00 0.00 58.73 58.64 1cqe h TYR 301 Cb 0.36 -0.10 -0.02 0.00 1.01 0.00 0.00 36.73 37.98 1cqe h TYR 301 CO 0.05 0.58 -0.06 0.00 -1.05 0.00 0.00 178.16 177.68 1cqe h ALA 302 N 1.42 1.25 -0.28 3.88 0.00 -1.05 -2.38 119.26 122.11 1cqe h ALA 302 Ca 0.05 -0.25 -0.08 0.00 0.00 0.00 0.00 54.91 54.63 1cqe h ALA 302 Cb 0.61 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 18.24 1cqe h ALA 302 CO 0.04 0.49 -0.15 1.15 0.00 0.00 0.00 179.25 180.79 1cqe h THR 303 N 0.53 1.30 -0.29 0.00 2.02 -0.93 -1.48 112.91 114.06 1cqe h THR 303 Ca 0.11 -1.25 -0.00 0.00 0.77 0.00 0.00 66.41 66.04 1cqe h THR 303 Cb 0.43 1.52 -0.01 0.00 -1.74 0.00 0.00 68.15 68.35 1cqe h THR 303 CO 0.02 0.39 0.18 0.40 0.37 0.00 0.00 175.52 176.88 1cqe h ILE 304 N 0.33 1.11 -0.21 3.11 2.04 -1.22 -0.47 117.51 122.19 1cqe h ILE 304 Ca 0.06 -0.25 -0.14 0.00 1.00 0.00 0.00 64.86 65.53 1cqe h ILE 304 Cb 0.67 0.74 -0.01 0.00 -0.74 0.00 0.00 36.82 37.48 1cqe h ILE 304 CO 0.04 0.10 -0.46 -0.50 0.00 0.00 0.00 178.15 177.34 1cqe h TRP 305 N 0.37 0.66 -0.61 1.37 4.06 -1.48 0.15 115.95 120.47 1cqe h TRP 305 Ca 0.10 -0.21 -0.05 0.00 2.06 0.00 0.00 58.89 60.80 1cqe h TRP 305 Cb 0.01 -0.14 -0.03 0.00 -1.00 0.00 0.00 29.16 28.01 1cqe h TRP 305 CO -0.04 0.90 0.17 1.25 -3.56 0.00 0.00 178.44 177.16 1cqe h LEU 306 N 0.44 0.90 0.06 -4.49 6.46 -1.02 0.13 115.31 117.78 1cqe h LEU 306 Ca 0.03 -0.22 0.01 0.00 -0.12 0.00 0.00 57.88 57.58 1cqe h LEU 306 Cb 0.97 -0.24 -0.01 0.00 -0.73 0.00 0.00 40.66 40.65 1cqe h LEU 306 CO 0.09 0.88 -0.09 0.03 -0.62 0.00 0.00 178.44 178.74 1cqe h ARG 307 N 0.87 -0.17 -0.91 1.25 3.08 -0.80 -2.79 114.38 114.91 1cqe h ARG 307 Ca 0.19 0.01 0.07 0.00 0.07 0.00 0.00 59.98 60.33 1cqe h ARG 307 Cb 0.32 0.04 -0.06 0.00 0.08 0.00 0.00 29.97 30.35 1cqe h ARG 307 CO -0.00 -0.11 0.59 1.49 -1.07 0.00 0.00 179.97 180.86 1cqe h GLU 308 N -0.18 0.97 0.20 0.04 4.57 -0.10 -2.22 114.58 117.87 1cqe h GLU 308 Ca 0.01 -0.06 -0.01 0.00 -1.18 0.00 0.00 59.36 58.13 1cqe h GLU 308 Cb 0.19 -0.22 0.00 0.00 -0.16 0.00 0.00 28.75 28.56 1cqe h GLU 308 CO -0.05 0.64 -0.10 1.25 -1.18 0.00 0.00 179.01 179.58 1cqe h HIS 309 N 1.00 -0.25 -0.22 0.92 2.76 -0.57 -2.36 115.15 116.43 1cqe h HIS 309 Ca 0.40 -0.01 -0.01 0.00 -2.20 0.00 0.00 60.37 58.55 1cqe h HIS 309 Cb 0.25 0.08 -0.01 0.00 1.55 0.00 0.00 27.41 29.29 1cqe h HIS 309 CO -0.00 -0.01 0.09 -0.91 -1.30 0.00 0.00 177.93 175.80 1cqe h ASN 310 N -0.47 0.27 -0.19 3.26 4.21 -1.26 -0.45 115.58 120.94 1cqe h ASN 310 Ca -0.03 -0.02 -0.03 0.00 1.21 0.00 0.00 56.30 57.43 1cqe h ASN 310 Cb 0.36 -0.07 -0.01 0.00 -1.12 0.00 0.00 38.32 37.48 1cqe h ASN 310 CO 0.05 0.25 0.00 -0.09 -1.29 0.00 0.00 177.43 176.34 1cqe h ARG 311 N 0.30 0.34 -0.21 0.81 2.43 -1.31 -2.07 114.38 114.67 1cqe h ARG 311 Ca 0.08 -0.11 -0.09 0.00 -0.81 0.00 0.00 59.98 59.05 1cqe h ARG 311 Cb 0.06 -0.03 -0.01 0.00 -0.42 0.00 0.00 29.97 29.57 1cqe h ARG 311 CO -0.01 0.54 -0.28 0.28 -1.51 0.00 0.00 179.97 178.99 1cqe h VAL 312 N 0.10 1.27 -0.98 0.20 2.07 -1.02 -2.52 116.25 115.37 1cqe h VAL 312 Ca 0.06 -1.28 0.05 0.00 0.82 0.00 0.00 66.70 66.35 1cqe h VAL 312 Cb 0.38 1.42 -0.06 0.00 -1.52 0.00 0.00 31.29 31.51 1cqe h VAL 312 CO 0.01 0.40 0.64 0.00 0.02 0.00 0.00 177.57 178.64 1cqe h ASP 314 N 1.18 0.59 -0.83 0.00 3.32 -0.97 -2.49 116.42 117.22 1cqe h ASP 314 Ca 0.41 -0.34 0.12 0.00 0.02 0.00 0.00 57.03 57.24 1cqe h ASP 314 Cb 0.11 -0.16 -0.06 0.00 0.22 0.00 0.00 39.33 39.44 1cqe h ASP 314 CO -0.15 0.80 0.54 -0.07 -1.72 0.00 0.00 179.24 178.64 1cqe h LEU 315 N 0.38 0.62 0.01 1.55 3.38 -1.01 -2.41 115.31 117.83 1cqe h LEU 315 Ca 0.08 0.03 -0.11 0.00 0.09 0.00 0.00 57.88 57.97 1cqe h LEU 315 Cb 0.52 -0.10 0.01 0.00 0.09 0.00 0.00 40.66 41.18 1cqe h LEU 315 CO 0.03 0.34 -0.43 -0.07 0.09 0.00 0.00 178.44 178.39 1cqe h LEU 316 N 0.67 0.37 -1.12 1.67 3.38 -1.34 -3.19 115.31 115.74 1cqe h LEU 316 Ca 0.40 -0.79 0.14 0.00 0.09 0.00 0.00 57.88 57.73 1cqe h LEU 316 Cb 0.62 -0.11 -0.08 0.00 0.09 0.00 0.00 40.66 41.18 1cqe h LEU 316 CO -0.17 1.11 0.61 0.50 0.09 0.00 0.00 178.44 180.58 1cqe h LYS 317 N -0.33 0.80 -0.78 1.13 1.63 -1.16 0.61 116.57 118.47 1cqe h LYS 317 Ca -0.06 -0.05 -0.05 0.00 -0.85 0.00 0.00 60.65 59.64 1cqe h LYS 317 Cb 1.18 -0.18 -0.03 0.00 -0.60 0.00 0.00 32.23 32.59 1cqe h LYS 317 CO 0.08 0.53 0.28 0.00 -3.45 0.00 0.00 179.45 176.90 1cqe h ALA 318 N 1.58 1.02 0.04 5.00 0.00 -1.52 -2.76 119.26 122.61 1cqe h ALA 318 Ca 0.50 -0.21 -0.23 0.00 0.00 0.00 0.00 54.91 54.97 1cqe h ALA 318 Cb 0.67 -0.30 -0.02 0.00 0.00 0.00 0.00 17.79 18.14 1cqe h ALA 318 CO -0.26 0.67 -1.05 1.49 0.00 0.00 0.00 179.25 180.09 1cqe h GLU 319 N 1.15 0.09 -2.39 0.00 4.57 -0.96 -3.40 114.58 113.64 1cqe h GLU 319 Ca 0.26 -0.15 -0.59 0.00 -1.18 0.00 0.00 59.36 57.70 1cqe h GLU 319 Cb 0.26 0.05 -0.40 0.00 -0.16 0.00 0.00 28.75 28.50 1cqe h GLU 319 CO -0.02 1.05 -0.87 0.72 -1.18 0.00 0.00 179.01 178.72 1cqe n HIS 320 N -3.43 0.82 0.32 0.92 8.25 0.19 -4.94 115.22 117.35 1cqe n HIS 320 Ca -0.03 -3.72 0.19 0.00 -0.26 0.00 0.00 57.72 53.90 1cqe n HIS 320 Cb 0.95 -0.22 1.05 0.00 1.12 0.00 0.00 29.99 32.89 1cqe n HIS 320 CO 0.00 0.00 0.00 -1.00 0.64 0.00 0.00 176.34 175.98 1cqe h PRO 321 N 4.91 0.00 0.00 -0.41 0.13 -1.73 -0.51 132.00 134.40 1cqe h PRO 321 Ca 0.18 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.31 1cqe h PRO 321 Cb 0.83 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.96 1cqe h PRO 321 CO 0.54 0.01 0.00 1.79 -0.23 0.00 0.00 178.00 180.11 1cqe h THR 322 N 0.00 0.00 -4.08 1.56 1.35 -1.92 -3.46 112.91 106.36 1cqe h THR 322 Ca -0.00 -0.64 -0.50 0.00 -0.55 0.00 0.00 66.41 64.72 1cqe h THR 322 Cb 0.05 1.60 0.07 0.00 -1.73 0.00 0.00 68.15 68.15 1cqe h THR 322 CO 0.00 0.00 0.44 0.26 -0.25 0.00 0.00 175.52 175.97 1cqe s TRP 323 N -3.28 2.66 0.19 4.73 0.52 -0.20 -5.06 118.94 118.50 1cqe s TRP 323 Ca 0.07 1.54 0.02 0.00 0.02 0.00 0.00 56.10 57.74 1cqe s TRP 323 Cb 0.09 -3.31 0.03 0.00 -1.15 0.00 0.00 33.47 29.13 1cqe s TRP 323 CO 0.58 -1.61 0.26 0.41 0.02 0.00 0.00 176.95 176.61 1cqe n GLY 324 N 0.20 1.43 0.27 0.98 0.00 -1.26 -4.93 105.19 101.87 1cqe n GLY 324 Ca 0.11 -2.08 -0.15 0.00 0.00 0.00 0.00 46.02 43.90 1cqe n GLY 324 CO 0.00 0.00 0.00 -1.80 0.00 0.00 0.00 173.32 171.52 1cqe h ASP 325 N -0.06 -0.53 -0.20 1.61 3.58 -1.93 -2.02 116.42 116.87 1cqe h ASP 325 Ca -0.09 -0.07 0.05 0.00 0.42 0.00 0.00 57.03 57.35 1cqe h ASP 325 Cb 0.36 0.14 -0.07 0.00 1.72 0.00 0.00 39.33 41.48 1cqe h ASP 325 CO 0.11 -0.23 -0.34 -0.33 -2.88 0.00 0.00 179.24 175.57 1cqe h GLU 326 N -0.84 -0.36 -0.22 0.28 4.39 -1.96 0.30 114.58 116.17 1cqe h GLU 326 Ca -0.06 0.02 -0.04 0.00 0.34 0.00 0.00 59.36 59.62 1cqe h GLU 326 Cb 0.57 0.08 -0.01 0.00 -0.10 0.00 0.00 28.75 29.29 1cqe h GLU 326 CO 0.11 -0.24 -0.04 0.37 -1.16 0.00 0.00 179.01 178.04 1cqe h GLN 327 N -0.37 0.33 0.17 2.33 4.15 -1.96 0.36 115.11 120.12 1cqe h GLN 327 Ca 0.11 -0.06 -0.01 0.00 0.77 0.00 0.00 58.65 59.46 1cqe h GLN 327 Cb 0.56 -0.05 0.00 0.00 0.21 0.00 0.00 27.48 28.20 1cqe h GLN 327 CO -0.41 0.40 -0.08 -0.07 -1.93 0.00 0.00 178.83 176.74 1cqe h LEU 328 N 0.32 -0.19 0.06 -2.39 3.38 -0.56 -1.02 115.31 114.92 1cqe h LEU 328 Ca 0.07 -0.20 0.03 0.00 0.09 0.00 0.00 57.88 57.86 1cqe h LEU 328 Cb 0.29 0.05 -0.04 0.00 0.09 0.00 0.00 40.66 41.05 1cqe h LEU 328 CO 0.01 0.10 -0.30 0.15 0.09 0.00 0.00 178.44 178.49 1cqe h PHE 329 N -0.50 -0.82 -0.36 1.13 3.57 0.11 0.19 116.94 120.26 1cqe h PHE 329 Ca -0.02 0.02 0.05 0.00 3.53 0.00 0.00 57.97 61.55 1cqe h PHE 329 Cb 0.39 0.35 -0.04 0.00 2.79 0.00 0.00 35.95 39.44 1cqe h PHE 329 CO 0.01 -0.40 0.09 1.96 -2.23 0.00 0.00 178.31 177.75 1cqe h GLN 330 N -0.49 0.22 -0.11 1.11 1.08 -0.33 -1.27 115.11 115.32 1cqe h GLN 330 Ca 0.04 -0.01 -0.11 0.00 -1.45 0.00 0.00 58.65 57.12 1cqe h GLN 330 Cb 0.55 -0.05 -0.01 0.00 -0.05 0.00 0.00 27.48 27.91 1cqe h GLN 330 CO -0.21 0.15 -0.44 1.15 -0.95 0.00 0.00 178.83 178.53 1cqe h THR 331 N 0.23 1.32 -0.32 -0.54 2.02 -0.79 -2.72 112.91 112.11 1cqe h THR 331 Ca 0.17 -1.59 -0.02 0.00 0.77 0.00 0.00 66.41 65.74 1cqe h THR 331 Cb 0.17 1.73 -0.01 0.00 -1.74 0.00 0.00 68.15 68.30 1cqe h THR 331 CO -0.20 0.47 0.11 0.00 0.37 0.00 0.00 175.52 176.27 1cqe h ALA 332 N 1.34 0.41 -0.99 6.16 0.00 -0.15 -2.41 119.26 123.62 1cqe h ALA 332 Ca 0.02 -0.15 0.02 0.00 0.00 0.00 0.00 54.91 54.80 1cqe h ALA 332 Cb 0.86 -0.12 -0.05 0.00 0.00 0.00 0.00 17.79 18.48 1cqe h ALA 332 CO 0.07 0.04 0.65 -0.09 0.00 0.00 0.00 179.25 179.92 1cqe h ARG 333 N 0.35 1.28 -0.14 0.00 2.43 -1.12 -2.03 114.38 115.15 1cqe h ARG 333 Ca 0.10 -0.08 -0.07 0.00 -0.81 0.00 0.00 59.98 59.12 1cqe h ARG 333 Cb 0.23 -0.29 -0.01 0.00 -0.42 0.00 0.00 29.97 29.48 1cqe h ARG 333 CO -0.00 0.84 -0.24 -0.07 -1.51 0.00 0.00 179.97 178.99 1cqe h LEU 334 N 1.32 0.25 -0.28 3.80 3.38 -1.32 -1.67 115.31 120.78 1cqe h LEU 334 Ca 0.37 -0.07 -0.08 0.00 0.09 0.00 0.00 57.88 58.18 1cqe h LEU 334 Cb -0.12 -0.07 -0.01 0.00 0.09 0.00 0.00 40.66 40.56 1cqe h LEU 334 CO -0.09 0.49 -0.15 0.40 0.09 0.00 0.00 178.44 179.18 1cqe h ILE 335 N 0.23 1.30 -0.01 1.22 2.04 -0.88 -2.23 117.51 119.18 1cqe h ILE 335 Ca 0.04 -1.26 -0.11 0.00 1.00 0.00 0.00 64.86 64.52 1cqe h ILE 335 Cb 0.55 1.51 -0.02 0.00 -0.74 0.00 0.00 36.82 38.13 1cqe h ILE 335 CO 0.04 0.40 -0.53 -0.07 0.00 0.00 0.00 178.15 177.99 1cqe h LEU 336 N 0.34 0.03 -0.44 1.44 3.38 -1.27 -0.14 115.31 118.65 1cqe h LEU 336 Ca 0.06 -0.01 -0.02 0.00 0.09 0.00 0.00 57.88 57.99 1cqe h LEU 336 Cb 0.68 -0.01 -0.02 0.00 0.09 0.00 0.00 40.66 41.40 1cqe h LEU 336 CO 0.04 0.55 0.18 0.40 0.09 0.00 0.00 178.44 179.71 1cqe h ILE 337 N 0.02 1.20 -0.58 1.22 2.04 -1.23 0.17 117.51 120.35 1cqe h ILE 337 Ca -0.00 -0.61 -0.08 0.00 1.00 0.00 0.00 64.86 65.16 1cqe h ILE 337 Cb 0.94 0.79 -0.02 0.00 -0.74 0.00 0.00 36.82 37.79 1cqe h ILE 337 CO 0.07 0.23 0.05 1.23 0.00 0.00 0.00 178.15 179.73 1cqe h GLY 338 N 0.57 1.07 1.00 5.37 0.00 -1.03 -1.35 103.07 108.70 1cqe h GLY 338 Ca 0.15 -0.75 0.00 0.00 0.00 0.00 0.00 47.33 46.73 1cqe h GLY 338 CO -0.01 0.69 0.35 0.83 0.00 0.00 0.00 176.54 178.40 1cqe h GLU 339 N 0.89 0.73 0.15 4.80 5.08 -0.75 -1.88 114.58 123.60 1cqe h GLU 339 Ca 0.17 -0.05 -0.01 0.00 -1.00 0.00 0.00 59.36 58.47 1cqe h GLU 339 Cb 0.48 -0.16 0.00 0.00 0.50 0.00 0.00 28.75 29.57 1cqe h GLU 339 CO 0.02 0.50 -0.07 1.15 -1.00 0.00 0.00 179.01 179.61 1cqe h THR 340 N 0.73 0.86 0.00 1.13 2.02 -0.40 -2.39 112.91 114.86 1cqe h THR 340 Ca 0.20 -0.02 -0.02 0.00 0.77 0.00 0.00 66.41 67.34 1cqe h THR 340 Cb -0.05 0.87 -0.00 0.00 -1.74 0.00 0.00 68.15 67.22 1cqe h THR 340 CO -0.04 0.00 -0.09 0.40 0.37 0.00 0.00 175.52 176.16 1cqe h ILE 341 N -0.21 0.84 0.06 3.11 2.04 -1.06 -1.44 117.51 120.85 1cqe h ILE 341 Ca -0.02 -0.35 -0.00 0.00 1.00 0.00 0.00 64.86 65.49 1cqe h ILE 341 Cb 0.16 1.20 0.00 0.00 -0.74 0.00 0.00 36.82 37.44 1cqe h ILE 341 CO 0.03 0.09 -0.03 0.50 0.00 0.00 0.00 178.15 178.75 1cqe h LYS 342 N 0.00 -0.08 -0.62 2.37 3.64 -1.11 -2.98 116.57 117.79 1cqe h LYS 342 Ca -0.00 0.01 -0.00 0.00 -1.27 0.00 0.00 60.65 59.38 1cqe h LYS 342 Cb 0.19 0.02 -0.03 0.00 -0.41 0.00 0.00 32.23 32.00 1cqe h LYS 342 CO 0.01 0.52 0.37 0.82 -2.27 0.00 0.00 179.45 178.90 1cqe h ILE 343 N -0.79 1.18 -0.06 2.00 2.04 -1.29 -0.84 117.51 119.75 1cqe h ILE 343 Ca -0.01 -0.39 -0.00 0.00 1.00 0.00 0.00 64.86 65.45 1cqe h ILE 343 Cb 0.63 0.31 -0.00 0.00 -0.74 0.00 0.00 36.82 37.01 1cqe h ILE 343 CO 0.01 0.19 0.02 0.58 0.00 0.00 0.00 178.15 178.95 1cqe h VAL 344 N 0.85 1.14 -0.18 1.67 2.07 -1.34 -1.38 116.25 119.08 1cqe h VAL 344 Ca 0.22 -0.41 -0.07 0.00 0.82 0.00 0.00 66.70 67.27 1cqe h VAL 344 Cb -0.03 1.30 -0.00 0.00 -1.52 0.00 0.00 31.29 31.04 1cqe h VAL 344 CO -0.04 0.12 -0.15 0.40 0.02 0.00 0.00 177.57 177.91 1cqe h ILE 345 N -0.06 1.33 0.00 4.57 2.04 -1.34 0.47 117.51 124.52 1cqe h ILE 345 Ca 0.02 -1.30 0.00 0.00 1.00 0.00 0.00 64.86 64.58 1cqe h ILE 345 Cb 0.16 1.79 0.00 0.00 -0.74 0.00 0.00 36.82 38.03 1cqe h ILE 345 CO -0.00 0.39 -0.69 -0.33 0.00 0.00 0.00 178.15 177.51 1cqe h GLU 346 N 0.07 0.00 0.00 2.37 5.08 -1.25 -3.24 114.58 117.61 1cqe h GLU 346 Ca 0.03 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.39 1cqe h GLU 346 Cb 0.68 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.93 1cqe h GLU 346 CO 0.04 0.00 -0.75 0.39 -1.00 0.00 0.00 179.01 177.69 1cqe n GLU 347 N -2.45 0.00 0.46 2.33 1.02 -0.61 -4.48 120.64 116.91 1cqe n GLU 347 Ca 0.02 0.00 -0.18 0.00 -0.02 0.00 0.00 57.16 56.98 1cqe n GLU 347 Cb 0.49 -0.43 -0.09 0.00 -0.02 0.00 0.00 31.44 31.39 1cqe n GLU 347 CO 0.00 0.00 0.00 -0.92 1.18 0.00 0.00 177.13 177.39 1cqe h TYR 348 N 0.00 -1.10 0.00 -0.32 5.03 -1.10 -0.26 116.97 119.22 1cqe h TYR 348 Ca 0.00 -0.03 -0.08 0.00 2.58 0.00 0.00 58.73 61.20 1cqe h TYR 348 Cb 0.75 0.37 -0.01 0.00 1.55 0.00 0.00 36.73 39.38 1cqe h TYR 348 CO 0.00 -0.69 -0.40 0.28 -1.32 0.00 0.00 178.16 176.03 1cqe h VAL 349 N -1.31 1.18 -0.16 1.81 2.07 -0.22 -1.76 116.25 117.86 1cqe h VAL 349 Ca -0.12 -1.42 -0.00 0.00 0.82 0.00 0.00 66.70 65.98 1cqe h VAL 349 Cb 0.91 1.79 -0.01 0.00 -1.52 0.00 0.00 31.29 32.46 1cqe h VAL 349 CO 0.20 0.39 0.08 -0.61 0.02 0.00 0.00 177.57 177.66 1cqe h GLN 350 N 0.00 0.23 0.57 1.57 5.75 -1.56 -0.90 115.11 120.77 1cqe h GLN 350 Ca -0.00 -0.03 -0.03 0.00 -0.15 0.00 0.00 58.65 58.44 1cqe h GLN 350 Cb 0.75 -0.04 0.00 0.00 1.07 0.00 0.00 27.48 29.26 1cqe h GLN 350 CO 0.05 0.25 -0.29 0.37 -2.65 0.00 0.00 178.83 176.56 1cqe h GLN 351 N 0.15 -0.76 -0.63 1.69 5.75 -0.52 -1.49 115.11 119.30 1cqe h GLN 351 Ca 0.06 0.05 0.09 0.00 -0.15 0.00 0.00 58.65 58.69 1cqe h GLN 351 Cb 0.09 0.17 -0.07 0.00 1.07 0.00 0.00 27.48 28.74 1cqe h GLN 351 CO -0.01 -0.50 0.28 1.25 -2.65 0.00 0.00 178.83 177.20 1cqe h LEU 352 N -0.79 0.33 -0.42 -2.39 5.85 -1.34 -2.68 115.31 113.89 1cqe h LEU 352 Ca -0.08 0.06 -0.17 0.00 0.84 0.00 0.00 57.88 58.53 1cqe h LEU 352 Cb 0.61 0.01 -0.00 0.00 0.37 0.00 0.00 40.66 41.65 1cqe h LEU 352 CO 0.12 0.20 -0.57 0.77 -0.34 0.00 0.00 178.44 178.62 1cqe h SER 353 N 0.49 0.76 -0.75 1.25 4.64 -1.13 -3.46 113.55 115.35 1cqe h SER 353 Ca 0.31 -0.41 -0.23 0.00 -0.47 0.00 0.00 61.79 60.98 1cqe h SER 353 Cb 0.33 -0.22 -0.08 0.00 -0.31 0.00 0.00 62.40 62.13 1cqe h SER 353 CO -0.27 1.16 -0.23 0.61 -0.87 0.00 0.00 176.83 177.24 1cqe n GLY 354 N 0.33 0.99 3.81 -0.77 0.00 -0.57 -4.99 105.19 103.99 1cqe n GLY 354 Ca -0.04 -0.49 -0.31 0.00 0.00 0.00 0.00 46.02 45.18 1cqe n GLY 354 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1cqe s TYR 355 N -2.45 2.99 -0.13 1.61 2.02 -1.26 -4.70 117.35 115.43 1cqe s TYR 355 Ca 0.00 1.46 0.21 0.00 -0.37 0.00 0.00 57.07 58.36 1cqe s TYR 355 Cb 0.00 -2.93 -0.18 0.00 -0.40 0.00 0.00 41.96 38.45 1cqe s TYR 355 CO 0.00 -1.35 0.69 1.19 -1.57 0.00 0.00 175.55 174.51 1cqe n PHE 356 N -3.15 0.50 -2.13 2.71 3.72 0.86 -4.84 117.46 115.12 1cqe n PHE 356 Ca 0.08 0.15 -0.42 0.00 -0.05 0.00 0.00 57.45 57.21 1cqe n PHE 356 Cb 0.53 -0.80 -0.03 0.00 -0.94 0.00 0.00 39.48 38.24 1cqe n PHE 356 CO 0.00 0.00 0.00 -1.17 -0.05 0.00 0.00 176.76 175.54 1cqe s LEU 357 N -5.11 4.38 -0.74 4.37 2.96 -1.26 -4.80 118.68 118.48 1cqe s LEU 357 Ca -0.05 2.41 -0.23 0.00 -0.22 0.00 0.00 54.13 56.04 1cqe s LEU 357 Cb 0.11 -3.60 0.06 0.00 0.50 0.00 0.00 46.19 43.27 1cqe s LEU 357 CO 0.85 -0.65 1.11 -1.58 -1.32 0.00 0.00 176.35 174.75 1cqe s GLN 358 N 0.68 3.23 0.81 1.98 0.74 -1.26 -5.01 119.66 120.83 1cqe s GLN 358 Ca 0.63 -0.80 -0.15 0.00 0.05 0.00 0.00 55.36 55.10 1cqe s GLN 358 Cb -0.38 -4.39 0.01 0.00 1.10 0.00 0.00 33.01 29.35 1cqe s GLN 358 CO 0.33 -1.94 0.64 1.28 -0.55 0.00 0.00 175.29 175.06 1cqe n LEU 359 N 8.14 1.35 -3.81 3.68 4.77 -1.26 -5.01 117.00 124.87 1cqe n LEU 359 Ca 0.04 0.52 -0.12 0.00 -0.03 0.00 0.00 56.01 56.41 1cqe n LEU 359 Cb 0.47 -1.28 -0.12 0.00 -2.33 0.00 0.00 43.42 40.17 1cqe n LEU 359 CO 0.65 -2.94 -0.14 -0.75 -1.33 0.00 0.00 177.39 172.88 1cqe s LYS 360 N -3.31 0.27 -0.46 3.23 2.20 -1.26 -4.76 119.74 115.65 1cqe s LYS 360 Ca 0.65 0.21 -0.10 0.00 -0.36 0.00 0.00 55.97 56.37 1cqe s LYS 360 Cb -0.30 0.13 0.10 0.00 -1.51 0.00 0.00 37.83 36.26 1cqe s LYS 360 CO 0.59 -0.04 0.33 0.12 -0.36 0.00 0.00 175.35 175.99 1cqe s PHE 361 N -0.06 3.37 -0.32 4.03 5.36 -1.26 -4.97 117.98 124.13 1cqe s PHE 361 Ca -0.02 -1.63 -0.01 0.00 -0.96 0.00 0.00 56.93 54.31 1cqe s PHE 361 Cb -0.02 -3.32 0.13 0.00 -0.34 0.00 0.00 43.02 39.47 1cqe s PHE 361 CO 0.00 -0.93 0.24 0.34 -1.46 0.00 0.00 175.22 173.41 1cqe s ASP 362 N 2.57 2.47 0.60 6.13 2.15 -1.26 -5.01 116.67 124.32 1cqe s ASP 362 Ca 0.04 -1.37 0.29 0.00 0.43 0.00 0.00 52.55 51.94 1cqe s ASP 362 Cb -0.25 0.05 1.47 0.00 -0.30 0.00 0.00 42.92 43.89 1cqe s ASP 362 CO 0.01 -0.37 1.88 -0.65 -0.17 0.00 0.00 175.17 175.88 1cqe h PRO 363 N 7.85 0.00 0.00 4.34 0.11 -1.94 -1.65 132.00 140.71 1cqe h PRO 363 Ca -0.08 0.00 -0.01 0.00 0.11 0.00 0.00 66.00 66.02 1cqe h PRO 363 Cb 1.03 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 32.14 1cqe h PRO 363 CO 0.33 0.00 -0.04 0.93 -0.21 0.00 0.00 178.00 179.01 1cqe h GLU 364 N 0.00 0.00 0.00 1.05 5.08 -1.95 -2.57 114.58 116.18 1cqe h GLU 364 Ca 0.19 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.55 1cqe h GLU 364 Cb 1.14 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.39 1cqe h GLU 364 CO -0.00 0.04 0.00 1.28 -1.00 0.00 0.00 179.01 179.33 1cqe n LEU 365 N -3.21 0.62 -0.52 1.33 4.77 -0.62 -1.72 117.00 117.65 1cqe n LEU 365 Ca -0.01 0.71 0.09 0.00 -0.03 0.00 0.00 56.01 56.77 1cqe n LEU 365 Cb 0.24 -0.68 0.02 0.00 -2.33 0.00 0.00 43.42 40.67 1cqe n LEU 365 CO 0.26 -0.72 0.36 0.18 -1.33 0.00 0.00 177.39 176.14 1cqe n LEU 366 N -2.25 2.03 0.22 2.23 4.77 -0.97 -4.51 117.00 118.52 1cqe n LEU 366 Ca 0.01 -0.84 0.15 0.00 -0.03 0.00 0.00 56.01 55.30 1cqe n LEU 366 Cb 0.15 0.00 0.77 0.00 -2.33 0.00 0.00 43.42 42.00 1cqe n LEU 366 CO 0.15 0.37 0.96 -0.26 -1.33 0.00 0.00 177.39 177.28 1cqe h PHE 367 N 2.56 0.00 0.00 -1.77 -1.00 -1.44 -2.14 116.94 113.15 1cqe h PHE 367 Ca 0.00 0.00 0.00 0.00 2.81 0.00 0.00 57.97 60.78 1cqe h PHE 367 Cb 0.68 0.00 0.00 0.00 3.61 0.00 0.00 35.95 40.24 1cqe h PHE 367 CO 0.00 0.00 -1.62 0.41 -1.61 0.00 0.00 178.31 175.49 1cqe n GLY 368 N -0.81 -0.96 3.88 -1.45 0.00 -1.26 -4.99 105.19 99.60 1cqe n GLY 368 Ca -0.01 -0.53 -0.30 0.00 0.00 0.00 0.00 46.02 45.18 1cqe n GLY 368 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1cqe s ALA 369 N -3.29 2.82 -0.49 4.61 0.00 -0.81 -5.01 121.76 119.60 1cqe s ALA 369 Ca -0.02 -0.35 -0.18 0.00 0.00 0.00 0.00 51.96 51.40 1cqe s ALA 369 Cb 0.14 -3.03 0.06 0.00 0.00 0.00 0.00 23.12 20.29 1cqe s ALA 369 CO 0.87 -1.23 0.57 -0.65 0.00 0.00 0.00 175.76 175.32 1cqe s GLN 370 N -5.36 3.10 -0.01 0.00 -0.21 -1.26 -5.01 119.66 110.91 1cqe s GLN 370 Ca 0.59 -0.97 -0.00 0.00 0.02 0.00 0.00 55.36 55.00 1cqe s GLN 370 Cb -0.11 -4.10 0.01 0.00 1.00 0.00 0.00 33.01 29.81 1cqe s GLN 370 CO 0.52 -1.16 0.02 0.12 -2.12 0.00 0.00 175.29 172.66 1cqe s PHE 371 N 2.42 0.00 -0.27 0.91 5.36 -1.26 -5.10 117.98 120.03 1cqe s PHE 371 Ca 0.13 0.06 -0.12 0.00 -0.96 0.00 0.00 56.93 56.04 1cqe s PHE 371 Cb -0.20 -0.08 -0.05 0.00 -0.34 0.00 0.00 43.02 42.36 1cqe s PHE 371 CO 0.11 -0.04 0.26 -0.65 -1.46 0.00 0.00 175.22 173.44 1cqe s GLN 372 N 0.38 3.98 -1.33 10.12 -1.52 -1.26 -4.99 119.66 125.04 1cqe s GLN 372 Ca -0.03 -0.19 -0.17 0.00 -1.95 0.00 0.00 55.36 53.03 1cqe s GLN 372 Cb -0.05 -3.65 0.07 0.00 -0.22 0.00 0.00 33.01 29.16 1cqe s GLN 372 CO -0.01 -0.21 1.82 0.66 -0.25 0.00 0.00 175.29 177.30 1cqe n TYR 373 N 5.13 4.43 -3.66 0.91 4.01 -1.26 -4.78 117.16 121.94 1cqe n TYR 373 Ca -0.12 -2.90 -0.15 0.00 -0.16 0.00 0.00 57.90 54.57 1cqe n TYR 373 Cb 0.52 -2.58 -0.08 0.00 -0.31 0.00 0.00 39.34 36.89 1cqe n TYR 373 CO 0.00 0.00 0.00 0.50 -0.46 0.00 0.00 176.86 176.90 1cqe s ARG 374 N 3.78 0.77 0.02 -0.72 3.52 -1.04 -4.64 118.95 120.63 1cqe s ARG 374 Ca 0.52 0.37 -0.05 0.00 -0.13 0.00 0.00 55.73 56.44 1cqe s ARG 374 Cb 0.06 0.36 -0.01 0.00 -1.56 0.00 0.00 34.95 33.80 1cqe s ARG 374 CO 0.04 -0.18 0.08 1.21 -0.81 0.00 0.00 175.30 175.64 1cqe s ASN 375 N -0.55 0.14 -0.17 -2.12 3.84 -1.26 -4.77 114.94 110.05 1cqe s ASN 375 Ca -0.07 -0.40 -0.05 0.00 0.21 0.00 0.00 52.86 52.56 1cqe s ASN 375 Cb -0.03 0.18 0.08 0.00 -0.55 0.00 0.00 41.25 40.93 1cqe s ASN 375 CO 0.04 -0.40 0.29 -0.60 -2.79 0.00 0.00 177.10 173.65 1cqe s ARG 376 N -1.80 0.20 0.05 0.43 6.06 -1.26 -4.84 118.95 117.79 1cqe s ARG 376 Ca -0.12 0.66 -0.30 0.00 -2.50 0.00 0.00 55.73 53.46 1cqe s ARG 376 Cb -0.06 -0.27 -0.09 0.00 0.06 0.00 0.00 34.95 34.59 1cqe s ARG 376 CO -0.01 -0.40 1.89 0.42 -2.50 0.00 0.00 175.30 174.70 1cqe s ILE 377 N 2.44 2.96 0.16 4.11 -1.09 -1.26 -4.72 121.20 123.80 1cqe s ILE 377 Ca 0.04 0.12 -0.16 0.00 -2.23 0.00 0.00 60.65 58.41 1cqe s ILE 377 Cb -0.13 -3.07 -0.07 0.00 -1.58 0.00 0.00 42.46 37.60 1cqe s ILE 377 CO -0.11 -0.01 0.60 0.00 -1.23 0.00 0.00 174.94 174.20 1cqe s ALA 378 N 3.93 3.53 0.33 9.38 0.00 -1.26 -0.80 121.76 136.88 1cqe s ALA 378 Ca 0.85 -0.03 0.03 0.00 0.00 0.00 0.00 51.96 52.81 1cqe s ALA 378 Cb -0.42 -2.62 0.59 0.00 0.00 0.00 0.00 23.12 20.67 1cqe s ALA 378 CO 0.39 0.41 1.90 0.00 0.00 0.00 0.00 175.76 178.46 1cqe h MET 379 N 3.63 0.61 -0.44 0.00 -0.00 -0.96 -2.21 114.93 115.56 1cqe h MET 379 Ca -0.48 -0.11 -0.00 0.00 -0.00 0.00 0.00 59.70 59.10 1cqe h MET 379 Cb 1.20 -0.10 -0.02 0.00 -0.00 0.00 0.00 31.60 32.67 1cqe h MET 379 CO 0.65 0.57 0.25 0.93 -0.00 0.00 0.00 176.91 179.31 1cqe h GLU 380 N 0.60 0.59 -0.29 -0.10 3.07 -1.95 -1.61 114.58 114.89 1cqe h GLU 380 Ca 0.14 -0.05 -0.10 0.00 -0.50 0.00 0.00 59.36 58.84 1cqe h GLU 380 Cb 0.24 -0.13 -0.01 0.00 -0.84 0.00 0.00 28.75 28.01 1cqe h GLU 380 CO -0.00 0.42 -0.25 0.35 -1.40 0.00 0.00 179.01 178.14 1cqe h PHE 381 N 0.60 0.64 -0.40 4.33 3.57 -1.79 -2.18 116.94 121.71 1cqe h PHE 381 Ca 0.16 -0.14 -0.09 0.00 3.53 0.00 0.00 57.97 61.42 1cqe h PHE 381 Cb -0.00 -0.16 -0.01 0.00 2.79 0.00 0.00 35.95 38.57 1cqe h PHE 381 CO 0.00 0.77 -0.12 -0.97 -2.23 0.00 0.00 178.31 175.76 1cqe h ASN 382 N 0.50 0.80 0.73 0.41 -0.73 -1.12 -2.13 115.58 114.04 1cqe h ASN 382 Ca 0.07 -0.37 -0.03 0.00 1.87 0.00 0.00 56.30 57.83 1cqe h ASN 382 Cb 0.70 -0.22 0.00 0.00 0.27 0.00 0.00 38.32 39.07 1cqe h ASN 382 CO 0.05 0.99 -0.41 1.56 -0.37 0.00 0.00 177.43 179.25 1cqe h GLN 383 N 0.60 -1.02 -1.02 6.67 1.08 -1.25 -3.16 115.11 117.01 1cqe h GLN 383 Ca 0.10 0.07 0.29 0.00 -1.45 0.00 0.00 58.65 57.66 1cqe h GLN 383 Cb 0.65 0.23 -0.13 0.00 -0.05 0.00 0.00 27.48 28.18 1cqe h GLN 383 CO 0.04 -0.68 0.61 1.25 -0.95 0.00 0.00 178.83 179.10 1cqe h LEU 384 N -1.05 0.56 -1.20 1.46 6.46 -1.42 -1.25 115.31 118.86 1cqe h LEU 384 Ca -0.10 0.15 0.00 0.00 -0.12 0.00 0.00 57.88 57.81 1cqe h LEU 384 Cb 0.83 0.08 0.00 0.00 -0.73 0.00 0.00 40.66 40.84 1cqe h LEU 384 CO 0.13 -0.02 0.00 0.00 -0.62 0.00 0.00 178.44 177.93 1cqe n TYR 385 N -4.92 0.18 -2.28 1.25 4.19 -0.80 -4.45 117.16 110.33 1cqe n TYR 385 Ca 0.29 -0.06 -0.41 0.00 3.31 0.00 0.00 57.90 61.03 1cqe n TYR 385 Cb 0.90 -0.13 0.00 0.00 0.49 0.00 0.00 39.34 40.60 1cqe n TYR 385 CO 0.00 0.00 0.00 0.72 0.91 0.00 0.00 176.86 178.49 1cqe n HIS 386 N 0.04 2.71 -0.49 2.98 8.25 -0.48 -4.81 115.22 123.43 1cqe n HIS 386 Ca 0.02 -2.76 -0.01 0.00 -0.26 0.00 0.00 57.72 54.71 1cqe n HIS 386 Cb 0.32 -1.79 -0.01 0.00 1.12 0.00 0.00 29.99 29.64 1cqe n HIS 386 CO 0.00 0.00 0.00 0.91 0.64 0.00 0.00 176.34 177.89 1cqe n TRP 387 N 2.52 0.00 0.19 4.41 8.01 -1.26 -4.63 117.44 126.68 1cqe n TRP 387 Ca 0.48 -0.96 0.17 0.00 -1.31 0.00 0.00 57.50 55.88 1cqe n TRP 387 Cb 0.31 -0.53 0.81 0.00 -2.01 0.00 0.00 31.31 29.88 1cqe n TRP 387 CO 0.00 0.00 0.00 0.45 -1.01 0.00 0.00 177.69 177.13 1cqe h HIS 388 N 1.28 0.00 0.00 -5.99 3.86 -1.97 -2.09 115.15 110.24 1cqe h HIS 388 Ca 0.01 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.22 1cqe h HIS 388 Cb 0.96 0.00 0.00 0.00 1.06 0.00 0.00 27.41 29.43 1cqe h HIS 388 CO 0.32 0.00 0.00 -0.35 0.86 0.00 0.00 177.93 178.76 1cqe n PRO 389 N -3.90 0.06 -0.15 2.45 -0.04 -1.26 -2.39 135.00 129.77 1cqe n PRO 389 Ca 0.02 0.28 -0.11 0.00 -0.04 0.00 0.00 63.50 63.65 1cqe n PRO 389 Cb 0.33 -1.50 0.02 0.00 -0.04 0.00 0.00 33.50 32.31 1cqe n PRO 389 CO 0.00 0.00 0.00 -0.07 -0.04 0.00 0.00 175.50 175.39 1cqe h LEU 390 N 0.00 0.99 -9.72 1.53 3.38 -1.55 -3.35 115.31 106.60 1cqe h LEU 390 Ca 0.00 -0.36 -0.56 0.00 0.09 0.00 0.00 57.88 57.05 1cqe h LEU 390 Cb 0.07 -0.27 0.09 0.00 0.09 0.00 0.00 40.66 40.64 1cqe h LEU 390 CO 0.00 1.15 0.74 0.23 0.09 0.00 0.00 178.44 180.65 1cqe n MET 391 N -4.12 2.39 -1.27 1.13 2.81 -1.01 -1.27 117.12 115.79 1cqe n MET 391 Ca 0.00 0.85 -0.20 0.00 -1.81 0.00 0.00 57.70 56.54 1cqe n MET 391 Cb 0.44 -2.56 0.14 0.00 -0.71 0.00 0.00 33.22 30.53 1cqe n MET 391 CO 0.00 0.00 0.00 -0.35 1.51 0.00 0.00 175.97 177.13 1cqe n PRO 392 N 1.85 -0.94 0.07 0.03 -0.04 -1.26 -4.65 135.00 130.06 1cqe n PRO 392 Ca 0.09 -1.39 -0.05 0.00 -0.04 0.00 0.00 63.50 62.10 1cqe n PRO 392 Cb 0.35 -0.94 -0.09 0.00 -0.04 0.00 0.00 33.50 32.77 1cqe n PRO 392 CO 0.00 0.00 0.00 -0.44 -0.04 0.00 0.00 175.50 175.02 1cqe h ASP 393 N -1.23 0.00 -5.06 3.54 3.32 -1.96 -3.47 116.42 111.56 1cqe h ASP 393 Ca -0.29 0.00 0.01 0.00 0.02 0.00 0.00 57.03 56.76 1cqe h ASP 393 Cb 0.81 0.00 -0.04 0.00 0.22 0.00 0.00 39.33 40.32 1cqe h ASP 393 CO 0.21 0.91 0.17 -0.94 -1.72 0.00 0.00 179.24 177.87 1cqe s SER 394 N -6.64 -0.09 -0.27 6.45 1.04 -1.26 -4.68 113.70 108.24 1cqe s SER 394 Ca 0.01 -0.87 0.02 0.00 0.48 0.00 0.00 55.95 55.59 1cqe s SER 394 Cb 0.09 0.74 0.06 0.00 0.10 0.00 0.00 66.02 67.02 1cqe s SER 394 CO 0.81 -1.42 -0.08 -0.36 0.98 0.00 0.00 173.24 173.16 1cqe s PHE 395 N -3.39 3.26 -0.24 5.02 0.40 0.16 -4.94 117.98 118.25 1cqe s PHE 395 Ca 0.15 -2.19 -0.23 0.00 -0.60 0.00 0.00 56.93 54.06 1cqe s PHE 395 Cb -0.05 -1.98 -0.01 0.00 0.51 0.00 0.00 43.02 41.49 1cqe s PHE 395 CO 0.09 -0.86 0.75 -0.98 0.70 0.00 0.00 175.22 174.93 1cqe s ARG 396 N 1.14 4.17 -0.58 0.44 3.03 -1.26 0.31 118.95 126.21 1cqe s ARG 396 Ca -0.08 0.80 0.04 0.00 2.03 0.00 0.00 55.73 58.53 1cqe s ARG 396 Cb -0.20 -3.64 0.15 0.00 -1.03 0.00 0.00 34.95 30.24 1cqe s ARG 396 CO -0.04 -0.45 0.36 0.08 -1.13 0.00 0.00 175.30 174.12 1cqe s VAL 397 N 2.61 2.41 0.00 4.99 1.01 0.13 -4.74 120.40 126.82 1cqe s VAL 397 Ca 0.32 -3.59 0.00 0.00 0.00 0.00 0.00 61.98 58.71 1cqe s VAL 397 Cb -0.15 -2.63 0.00 0.00 0.00 0.00 0.00 36.38 33.59 1cqe s VAL 397 CO 0.08 -0.93 0.00 0.61 0.00 0.00 0.00 175.10 174.86 1cqe n GLY 398 N 2.66 0.88 0.22 4.51 0.00 -1.26 -2.71 105.19 109.49 1cqe n GLY 398 Ca 0.13 -0.70 0.08 0.00 0.00 0.00 0.00 46.02 45.53 1cqe n GLY 398 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1cqe h PRO 399 N 0.00 0.00 -6.70 1.61 0.13 -2.02 -3.43 132.00 121.58 1cqe h PRO 399 Ca 0.00 0.00 -0.50 0.00 -0.87 0.00 0.00 66.00 64.63 1cqe h PRO 399 Cb 0.00 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 31.12 1cqe h PRO 399 CO 0.00 0.27 0.39 -0.65 -0.23 0.00 0.00 178.00 177.78 1cqe s GLN 400 N -3.95 4.75 -0.17 0.86 -1.52 -1.10 -5.04 119.66 113.50 1cqe s GLN 400 Ca -0.02 1.56 0.00 0.00 -1.95 0.00 0.00 55.36 54.96 1cqe s GLN 400 Cb 0.12 -3.29 0.03 0.00 -0.22 0.00 0.00 33.01 29.66 1cqe s GLN 400 CO 0.66 0.34 -0.12 0.34 -0.25 0.00 0.00 175.29 176.25 1cqe s ASP 401 N -0.70 2.93 -0.01 5.90 -1.08 -1.26 0.19 116.67 122.63 1cqe s ASP 401 Ca 0.44 -0.63 -0.01 0.00 -0.52 0.00 0.00 52.55 51.83 1cqe s ASP 401 Cb -0.27 -1.17 -0.04 0.00 -1.46 0.00 0.00 42.92 39.98 1cqe s ASP 401 CO 0.33 -0.10 0.10 -0.31 0.52 0.00 0.00 175.17 175.72 1cqe s TYR 402 N 1.47 3.35 0.57 -5.34 2.02 0.15 -4.92 117.35 114.65 1cqe s TYR 402 Ca 0.03 0.25 -0.01 0.00 -0.37 0.00 0.00 57.07 56.97 1cqe s TYR 402 Cb -0.14 -1.77 0.03 0.00 -0.40 0.00 0.00 41.96 39.68 1cqe s TYR 402 CO -0.10 0.58 0.81 -1.54 -1.57 0.00 0.00 175.55 173.73 1cqe s SER 403 N -1.73 5.29 0.26 2.29 1.04 -1.26 0.36 113.70 119.95 1cqe s SER 403 Ca 0.23 0.16 -0.03 0.00 0.48 0.00 0.00 55.95 56.79 1cqe s SER 403 Cb -0.12 -1.06 0.41 0.00 0.10 0.00 0.00 66.02 65.35 1cqe s SER 403 CO 0.14 -1.15 1.87 1.88 0.98 0.00 0.00 173.24 176.95 1cqe h TYR 404 N -0.01 1.14 0.00 5.02 -1.99 -1.97 0.15 116.97 119.30 1cqe h TYR 404 Ca -0.43 0.03 0.00 0.00 2.00 0.00 0.00 58.73 60.33 1cqe h TYR 404 Cb 1.29 -0.37 0.00 0.00 2.00 0.00 0.00 36.73 39.65 1cqe h TYR 404 CO 0.38 0.56 0.00 1.05 -0.00 0.00 0.00 178.16 180.16 1cqe h GLU 405 N 1.10 0.00 0.00 4.88 9.09 -1.93 -1.04 114.58 126.67 1cqe h GLU 405 Ca 0.43 0.00 -0.01 0.00 0.05 0.00 0.00 59.36 59.83 1cqe h GLU 405 Cb 0.21 0.00 -0.00 0.00 -1.65 0.00 0.00 28.75 27.31 1cqe h GLU 405 CO -0.19 0.00 -1.63 1.04 0.05 0.00 0.00 179.01 178.28 1cqe n GLN 406 N -3.00 0.64 0.00 1.06 6.02 0.11 -4.66 117.38 117.54 1cqe n GLN 406 Ca -0.00 -0.07 0.00 0.00 -0.01 0.00 0.00 57.00 56.91 1cqe n GLN 406 Cb 0.22 -1.64 0.00 0.00 1.02 0.00 0.00 30.24 29.84 1cqe n GLN 406 CO 0.00 0.00 0.00 0.34 -1.01 0.00 0.00 177.06 176.39 1cqe n PHE 407 N -2.43 0.00 -1.59 1.08 7.35 0.30 -4.52 117.46 117.64 1cqe n PHE 407 Ca -0.03 0.00 -0.54 0.00 -0.76 0.00 0.00 57.45 56.12 1cqe n PHE 407 Cb 0.58 -0.31 -0.06 0.00 0.35 0.00 0.00 39.48 40.04 1cqe n PHE 407 CO 0.00 0.00 0.00 1.28 -0.76 0.00 0.00 176.76 177.28 1cqe n LEU 408 N -2.10 1.48 -0.34 -2.13 4.77 -0.46 -0.87 117.00 117.36 1cqe n LEU 408 Ca 0.00 1.12 -0.04 0.00 -0.03 0.00 0.00 56.01 57.06 1cqe n LEU 408 Cb 0.00 -1.14 -0.02 0.00 -2.33 0.00 0.00 43.42 39.93 1cqe n LEU 408 CO 0.00 -1.10 -0.04 0.49 -1.33 0.00 0.00 177.39 175.41 1cqe n PHE 409 N 2.69 0.00 -2.25 -1.77 3.72 0.45 -4.90 117.46 115.40 1cqe n PHE 409 Ca 0.20 0.00 -0.37 0.00 -0.05 0.00 0.00 57.45 57.22 1cqe n PHE 409 Cb 0.17 -1.76 -0.03 0.00 -0.94 0.00 0.00 39.48 36.91 1cqe n PHE 409 CO 0.00 0.00 0.00 1.21 -0.05 0.00 0.00 176.76 177.92 1cqe s ASN 410 N -2.26 5.65 0.00 4.37 3.84 -0.05 -4.84 114.94 121.65 1cqe s ASN 410 Ca 0.00 -0.29 0.16 0.00 0.21 0.00 0.00 52.86 52.93 1cqe s ASN 410 Cb 0.00 -2.55 0.90 0.00 -0.55 0.00 0.00 41.25 39.05 1cqe s ASN 410 CO 0.00 -2.19 1.38 0.35 -2.79 0.00 0.00 177.10 173.85 1cqe n THR 411 N 7.07 0.17 0.00 -5.21 -2.24 -1.26 -3.53 114.28 109.28 1cqe n THR 411 Ca 0.21 0.04 0.00 0.00 -2.27 0.00 0.00 64.05 62.03 1cqe n THR 411 Cb 0.50 -0.79 0.00 0.00 -2.10 0.00 0.00 70.33 67.94 1cqe n THR 411 CO 0.00 0.00 0.00 -1.54 -0.57 0.00 0.00 175.07 172.96 1cqe n SER 412 N -1.08 2.34 -0.24 3.42 3.41 -1.26 -4.78 113.62 115.42 1cqe n SER 412 Ca 0.11 -0.22 0.10 0.00 -0.26 0.00 0.00 58.87 58.59 1cqe n SER 412 Cb 0.07 0.92 0.37 0.00 -0.26 0.00 0.00 64.21 65.31 1cqe n SER 412 CO 0.00 0.00 0.00 -0.03 -0.16 0.00 0.00 175.04 174.85 1cqe h MET 413 N 0.00 0.70 -0.20 4.33 4.05 -1.95 -2.09 114.93 119.77 1cqe h MET 413 Ca 0.00 -0.04 -0.04 0.00 -0.28 0.00 0.00 59.70 59.34 1cqe h MET 413 Cb 0.00 -0.16 -0.01 0.00 -0.80 0.00 0.00 31.60 30.63 1cqe h MET 413 CO 0.00 0.46 -0.02 1.25 0.23 0.00 0.00 176.91 178.83 1cqe h LEU 414 N 0.72 0.36 -0.89 3.39 5.85 -1.86 -1.44 115.31 121.45 1cqe h LEU 414 Ca 0.40 -0.34 -0.10 0.00 0.84 0.00 0.00 57.88 58.68 1cqe h LEU 414 Cb 0.55 -0.10 -0.01 0.00 0.37 0.00 0.00 40.66 41.47 1cqe h LEU 414 CO -0.17 0.61 -0.48 0.58 -0.34 0.00 0.00 178.44 178.65 1cqe h VAL 415 N 0.10 1.16 0.77 1.05 2.07 -1.84 0.67 116.25 120.23 1cqe h VAL 415 Ca 0.05 -1.77 -0.04 0.00 0.82 0.00 0.00 66.70 65.77 1cqe h VAL 415 Cb 0.44 2.01 0.01 0.00 -1.52 0.00 0.00 31.29 32.23 1cqe h VAL 415 CO 0.01 0.47 -0.37 0.44 0.02 0.00 0.00 177.57 178.15 1cqe h ASP 416 N 0.00 -0.87 0.71 0.57 3.32 -1.23 -3.33 116.42 115.58 1cqe h ASP 416 Ca -0.00 0.02 -0.26 0.00 0.02 0.00 0.00 57.03 56.81 1cqe h ASP 416 Cb 0.97 0.23 -0.01 0.00 0.22 0.00 0.00 39.33 40.73 1cqe h ASP 416 CO 0.06 -0.51 -1.24 1.88 -1.72 0.00 0.00 179.24 177.71 1cqe h TYR 417 N -1.25 0.31 0.00 4.55 -1.99 -1.29 -3.51 116.97 113.78 1cqe h TYR 417 Ca -0.11 -0.23 0.00 0.00 2.00 0.00 0.00 58.73 60.40 1cqe h TYR 417 Cb 0.80 -0.01 0.00 0.00 2.00 0.00 0.00 36.73 39.52 1cqe h TYR 417 CO -0.00 1.20 0.00 0.41 -0.00 0.00 0.00 178.16 179.77 1cqe n GLY 418 N 1.50 -1.73 0.31 3.88 0.00 0.24 -4.04 105.19 105.35 1cqe n GLY 418 Ca -0.08 -1.54 -0.12 0.00 0.00 0.00 0.00 46.02 44.29 1cqe n GLY 418 CO 0.00 0.00 0.00 -2.08 0.00 0.00 0.00 173.32 171.24 1cqe h VAL 419 N 0.00 0.37 -0.32 1.61 2.07 -1.96 -2.81 116.25 115.21 1cqe h VAL 419 Ca 0.00 0.00 0.07 0.00 0.82 0.00 0.00 66.70 67.59 1cqe h VAL 419 Cb 0.00 0.37 -0.07 0.00 -1.52 0.00 0.00 31.29 30.07 1cqe h VAL 419 CO 0.00 0.00 -0.14 -0.33 0.02 0.00 0.00 177.57 177.12 1cqe h GLU 420 N -0.46 -0.08 -0.68 1.57 3.07 -1.90 -0.03 114.58 116.07 1cqe h GLU 420 Ca 0.05 0.01 0.06 0.00 -0.50 0.00 0.00 59.36 58.97 1cqe h GLU 420 Cb 0.52 0.02 -0.06 0.00 -0.84 0.00 0.00 28.75 28.40 1cqe h GLU 420 CO -0.21 -0.05 0.38 0.00 -1.40 0.00 0.00 179.01 177.73 1cqe h ALA 421 N 1.19 0.91 -0.05 3.43 0.00 -1.67 -1.69 119.26 121.38 1cqe h ALA 421 Ca 0.16 0.02 -0.22 0.00 0.00 0.00 0.00 54.91 54.87 1cqe h ALA 421 Cb 0.33 -0.13 0.00 0.00 0.00 0.00 0.00 17.79 18.00 1cqe h ALA 421 CO -0.38 0.06 -0.86 -0.07 0.00 0.00 0.00 179.25 178.00 1cqe h LEU 422 N 0.70 0.62 -0.70 0.00 3.38 -1.21 -2.85 115.31 115.25 1cqe h LEU 422 Ca 0.30 -0.46 -0.07 0.00 0.09 0.00 0.00 57.88 57.75 1cqe h LEU 422 Cb 0.19 -0.19 -0.03 0.00 0.09 0.00 0.00 40.66 40.72 1cqe h LEU 422 CO -0.18 1.24 0.17 0.58 0.09 0.00 0.00 178.44 180.34 1cqe h VAL 423 N 0.31 1.26 -0.50 1.22 2.07 -0.62 -0.64 116.25 119.35 1cqe h VAL 423 Ca -0.07 -0.96 -0.11 0.00 0.82 0.00 0.00 66.70 66.39 1cqe h VAL 423 Cb 1.48 0.55 -0.02 0.00 -1.52 0.00 0.00 31.29 31.78 1cqe h VAL 423 CO 0.16 0.37 -0.12 -0.78 0.02 0.00 0.00 177.57 177.22 1cqe h ASP 424 N 1.05 0.94 0.77 0.57 1.82 -1.39 -0.85 116.42 119.33 1cqe h ASP 424 Ca 0.22 -0.30 -0.04 0.00 -0.39 0.00 0.00 57.03 56.52 1cqe h ASP 424 Cb 0.37 -0.25 0.01 0.00 0.68 0.00 0.00 39.33 40.13 1cqe h ASP 424 CO 0.00 1.06 -0.37 0.00 -1.61 0.00 0.00 179.24 178.32 1cqe h ALA 425 N 1.02 -1.03 -0.15 -0.78 0.00 -1.20 -2.46 119.26 114.65 1cqe h ALA 425 Ca 0.13 -0.23 -0.01 0.00 0.00 0.00 0.00 54.91 54.79 1cqe h ALA 425 Cb 0.65 0.40 -0.01 0.00 0.00 0.00 0.00 17.79 18.84 1cqe h ALA 425 CO 0.05 -1.00 0.03 0.74 0.00 0.00 0.00 179.25 179.07 1cqe h PHE 426 N -1.20 0.21 0.00 0.00 0.04 -1.15 -1.50 116.94 113.35 1cqe h PHE 426 Ca -0.11 -0.00 0.00 0.00 2.80 0.00 0.00 57.97 60.66 1cqe h PHE 426 Cb 0.81 -0.07 0.00 0.00 2.20 0.00 0.00 35.95 38.89 1cqe h PHE 426 CO -0.00 0.20 0.00 0.77 -0.60 0.00 0.00 178.31 178.67 1cqe h SER 427 N 0.21 0.00 0.00 2.17 0.02 -1.00 -1.66 113.55 113.30 1cqe h SER 427 Ca 0.05 0.00 -0.18 0.00 -0.84 0.00 0.00 61.79 60.82 1cqe h SER 427 Cb 0.10 0.00 -0.03 0.00 0.14 0.00 0.00 62.40 62.60 1cqe h SER 427 CO -0.00 0.00 -2.10 0.54 -1.14 0.00 0.00 176.83 174.13 1cqe n ARG 428 N -2.82 0.82 -2.93 3.45 1.74 -0.62 -4.13 116.66 112.17 1cqe n ARG 428 Ca 0.01 -0.09 -0.41 0.00 -0.77 0.00 0.00 57.85 56.59 1cqe n ARG 428 Cb 0.29 -1.47 -0.04 0.00 -1.02 0.00 0.00 32.46 30.22 1cqe n ARG 428 CO 0.00 0.00 0.00 -1.14 -1.52 0.00 0.00 177.63 174.97 1cqe s GLN 429 N -2.87 4.29 0.53 5.56 0.74 -0.84 -4.73 119.66 122.34 1cqe s GLN 429 Ca -0.08 0.95 -0.21 0.00 0.05 0.00 0.00 55.36 56.07 1cqe s GLN 429 Cb 0.09 -3.57 -0.06 0.00 1.10 0.00 0.00 33.01 30.57 1cqe s GLN 429 CO 0.79 -0.29 1.21 -1.25 -0.55 0.00 0.00 175.29 175.19 1cqe s PRO 430 N 2.04 3.36 0.18 1.67 0.04 -1.26 -1.71 135.00 139.32 1cqe s PRO 430 Ca 0.37 1.85 0.03 0.00 0.04 0.00 0.00 61.00 63.30 1cqe s PRO 430 Cb -0.17 -2.19 -0.03 0.00 0.04 0.00 0.00 34.50 32.16 1cqe s PRO 430 CO 0.12 -0.90 0.31 0.00 0.04 0.00 0.00 177.00 176.57 1cqe s ALA 431 N -1.54 3.95 0.62 8.56 0.00 -0.28 -4.68 121.76 128.39 1cqe s ALA 431 Ca 0.70 -1.11 -0.10 0.00 0.00 0.00 0.00 51.96 51.46 1cqe s ALA 431 Cb -0.31 -1.76 -0.02 0.00 0.00 0.00 0.00 23.12 21.03 1cqe s ALA 431 CO 0.36 0.43 1.01 0.20 0.00 0.00 0.00 175.76 177.76 1cqe s GLY 432 N -3.50 1.63 0.60 0.00 0.00 -0.39 -0.40 107.32 105.26 1cqe s GLY 432 Ca 0.34 -0.23 -0.19 0.00 0.00 0.00 0.00 44.72 44.64 1cqe s GLY 432 CO 0.29 0.05 1.22 -1.60 0.00 0.00 0.00 173.10 173.05 1cqe s ARG 433 N -5.15 2.89 -0.18 2.90 3.52 0.60 -4.20 118.95 119.33 1cqe s ARG 433 Ca 0.55 1.86 -0.14 0.00 -0.13 0.00 0.00 55.73 57.87 1cqe s ARG 433 Cb -0.11 -1.91 -0.07 0.00 -1.56 0.00 0.00 34.95 31.30 1cqe s ARG 433 CO 0.52 -1.28 -0.22 -0.89 -0.81 0.00 0.00 175.30 172.62 1cqe n ILE 434 N -1.66 1.47 -1.73 4.11 5.41 -0.57 -4.47 119.36 121.93 1cqe n ILE 434 Ca 0.14 0.10 -0.30 0.00 1.00 0.00 0.00 62.75 63.70 1cqe n ILE 434 Cb 0.49 -2.29 0.09 0.00 -0.71 0.00 0.00 39.64 37.22 1cqe n ILE 434 CO 0.00 0.00 0.00 -0.83 0.00 0.00 0.00 176.55 175.72 1cqe s GLY 435 N -4.68 1.61 0.00 7.39 0.00 0.35 -4.55 107.32 107.44 1cqe s GLY 435 Ca -0.24 -0.40 0.00 0.00 0.00 0.00 0.00 44.72 44.08 1cqe s GLY 435 CO 0.36 0.04 0.00 0.61 0.00 0.00 0.00 173.10 174.12 1cqe n GLY 436 N -2.66 3.02 0.00 0.20 0.00 -0.73 -4.85 105.19 100.17 1cqe n GLY 436 Ca 0.07 -1.02 0.00 0.00 0.00 0.00 0.00 46.02 45.07 1cqe n GLY 436 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1cqe n GLY 437 N 0.00 2.19 4.27 -0.02 0.00 -1.11 -4.84 105.19 105.69 1cqe n GLY 437 Ca 0.00 -1.95 -0.31 0.00 0.00 0.00 0.00 46.02 43.76 1cqe n GLY 437 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1cqe n ARG 438 N 1.33 -1.37 -0.44 1.61 1.74 0.18 -4.87 116.66 114.85 1cqe n ARG 438 Ca 0.00 0.15 0.01 0.00 -0.77 0.00 0.00 57.85 57.24 1cqe n ARG 438 Cb 0.00 -3.86 0.01 0.00 -1.02 0.00 0.00 32.46 27.59 1cqe n ARG 438 CO 0.00 0.00 0.00 -1.71 -1.52 0.00 0.00 177.63 174.40 1cqe n ASN 439 N -2.87 0.19 -4.58 0.55 5.15 -1.07 -3.18 115.26 109.45 1cqe n ASN 439 Ca -0.28 -2.03 -0.39 0.00 -0.60 0.00 0.00 54.58 51.28 1cqe n ASN 439 Cb 0.67 -0.21 -0.10 0.00 -0.53 0.00 0.00 39.78 39.61 1cqe n ASN 439 CO 0.00 0.00 0.00 -0.63 1.40 0.00 0.00 177.26 178.03 1cqe s ILE 440 N -0.23 5.27 0.23 -1.44 1.01 -0.38 -4.55 121.20 121.11 1cqe s ILE 440 Ca 0.02 0.19 -0.32 0.00 0.00 0.00 0.00 60.65 60.54 1cqe s ILE 440 Cb 0.02 -3.61 -0.13 0.00 0.01 0.00 0.00 42.46 38.75 1cqe s ILE 440 CO 0.00 0.17 1.50 -0.67 0.00 0.00 0.00 174.94 175.95 1cqe n ASP 441 N 5.14 3.08 -0.36 3.58 -0.08 -1.26 -0.88 116.55 125.78 1cqe n ASP 441 Ca -0.12 1.12 0.34 0.00 -1.51 0.00 0.00 54.79 54.61 1cqe n ASP 441 Cb 0.51 -1.46 0.69 0.00 2.34 0.00 0.00 41.12 43.20 1cqe n ASP 441 CO 0.00 0.00 0.00 1.12 0.12 0.00 0.00 177.20 178.44 1cqe h HIS 442 N 4.89 0.20 -0.29 -0.67 2.07 -1.96 -1.09 115.15 118.31 1cqe h HIS 442 Ca -0.45 0.01 0.03 0.00 -2.85 0.00 0.00 60.37 57.10 1cqe h HIS 442 Cb 1.26 -0.06 -0.01 0.00 2.57 0.00 0.00 27.41 31.17 1cqe h HIS 442 CO 0.59 -0.00 0.19 0.45 -3.07 0.00 0.00 177.93 176.09 1cqe h HIS 443 N 0.10 0.26 -0.03 6.12 3.86 -1.99 -3.07 115.15 120.39 1cqe h HIS 443 Ca 0.62 0.01 0.00 0.00 -1.16 0.00 0.00 60.37 59.83 1cqe h HIS 443 Cb 2.21 -0.09 0.00 0.00 1.06 0.00 0.00 27.41 30.59 1cqe h HIS 443 CO -0.00 0.15 0.00 0.44 0.86 0.00 0.00 177.93 179.38 1cqe n ILE 444 N -4.49 1.24 0.31 2.45 -5.35 -0.43 -4.73 119.36 108.35 1cqe n ILE 444 Ca 0.02 -1.31 0.19 0.00 -0.27 0.00 0.00 62.75 61.38 1cqe n ILE 444 Cb 0.16 0.31 1.04 0.00 -1.74 0.00 0.00 39.64 39.41 1cqe n ILE 444 CO 0.00 0.00 0.00 0.25 -1.76 0.00 0.00 176.55 175.04 1cqe h LEU 445 N 0.20 0.00 -1.36 7.28 5.85 -1.39 -1.71 115.31 124.18 1cqe h LEU 445 Ca 0.00 0.00 -0.02 0.00 0.84 0.00 0.00 57.88 58.70 1cqe h LEU 445 Cb 0.66 0.00 -0.02 0.00 0.37 0.00 0.00 40.66 41.66 1cqe h LEU 445 CO 0.01 0.00 0.21 1.12 -0.34 0.00 0.00 178.44 179.43 1cqe h HIS 446 N 0.00 0.64 -0.43 1.25 2.07 -1.85 -2.52 115.15 114.31 1cqe h HIS 446 Ca 0.01 -0.02 0.01 0.00 -2.85 0.00 0.00 60.37 57.53 1cqe h HIS 446 Cb 0.18 -0.20 -0.03 0.00 2.57 0.00 0.00 27.41 29.93 1cqe h HIS 446 CO 0.00 0.48 0.26 0.28 -3.07 0.00 0.00 177.93 175.88 1cqe h VAL 447 N 0.65 1.07 -0.18 6.12 2.07 -1.69 -1.07 116.25 123.21 1cqe h VAL 447 Ca 0.16 -0.18 -0.04 0.00 0.82 0.00 0.00 66.70 67.46 1cqe h VAL 447 Cb 0.09 0.49 -0.01 0.00 -1.52 0.00 0.00 31.29 30.34 1cqe h VAL 447 CO -0.02 0.10 -0.08 0.00 0.02 0.00 0.00 177.57 177.59 1cqe h ALA 448 N 1.18 1.53 -0.28 1.67 0.00 -1.60 0.71 119.26 122.47 1cqe h ALA 448 Ca 0.16 -0.18 -0.05 0.00 0.00 0.00 0.00 54.91 54.84 1cqe h ALA 448 Cb -0.02 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 17.67 1cqe h ALA 448 CO -0.06 0.34 -0.03 0.28 0.00 0.00 0.00 179.25 179.78 1cqe h VAL 449 N 0.27 1.27 -0.71 0.00 2.07 -1.11 -2.54 116.25 115.49 1cqe h VAL 449 Ca 0.06 -0.99 -0.03 0.00 0.82 0.00 0.00 66.70 66.56 1cqe h VAL 449 Cb 0.32 1.35 -0.03 0.00 -1.52 0.00 0.00 31.29 31.41 1cqe h VAL 449 CO 0.02 0.32 0.35 0.44 0.02 0.00 0.00 177.57 178.71 1cqe h ASP 450 N 0.29 0.93 -0.95 0.57 3.32 -0.35 -2.02 116.42 118.20 1cqe h ASP 450 Ca 0.08 -0.13 0.05 0.00 0.02 0.00 0.00 57.03 57.04 1cqe h ASP 450 Cb 0.47 -0.24 -0.06 0.00 0.22 0.00 0.00 39.33 39.73 1cqe h ASP 450 CO 0.02 0.80 0.62 0.58 -1.72 0.00 0.00 179.24 179.53 1cqe h VAL 451 N 0.99 1.13 -0.41 -1.35 2.07 -0.75 0.39 116.25 118.33 1cqe h VAL 451 Ca 0.24 -0.40 -0.13 0.00 0.82 0.00 0.00 66.70 67.23 1cqe h VAL 451 Cb 0.11 -0.14 -0.01 0.00 -1.52 0.00 0.00 31.29 29.73 1cqe h VAL 451 CO -0.03 0.21 -0.27 0.40 0.02 0.00 0.00 177.57 177.90 1cqe h ILE 452 N 1.17 1.28 -0.47 4.57 2.04 -1.06 -1.61 117.51 123.43 1cqe h ILE 452 Ca 0.39 -1.44 -0.10 0.00 1.00 0.00 0.00 64.86 64.72 1cqe h ILE 452 Cb 0.07 1.31 -0.02 0.00 -0.74 0.00 0.00 36.82 37.44 1cqe h ILE 452 CO -0.14 0.48 -0.10 0.11 0.00 0.00 0.00 178.15 178.50 1cqe h LYS 453 N 0.72 0.85 -0.48 2.37 1.57 -0.76 -2.90 116.57 117.94 1cqe h LYS 453 Ca 0.08 -0.29 -0.13 0.00 -1.87 0.00 0.00 60.65 58.44 1cqe h LYS 453 Cb 0.85 -0.07 -0.01 0.00 0.08 0.00 0.00 32.23 33.08 1cqe h LYS 453 CO 0.07 0.92 -0.22 1.49 -0.57 0.00 0.00 179.45 181.14 1cqe h GLU 454 N 0.77 1.00 -0.95 3.15 4.81 -0.86 -2.57 114.58 119.93 1cqe h GLU 454 Ca 0.13 -0.43 0.17 0.00 -0.13 0.00 0.00 59.36 59.09 1cqe h GLU 454 Cb 0.60 -0.03 -0.08 0.00 0.63 0.00 0.00 28.75 29.87 1cqe h GLU 454 CO 0.04 1.11 0.60 1.03 -0.73 0.00 0.00 179.01 181.06 1cqe h SER 455 N 0.86 0.70 0.96 1.04 0.87 -1.10 -0.19 113.55 116.69 1cqe h SER 455 Ca 0.11 0.06 -0.16 0.00 -1.23 0.00 0.00 61.79 60.57 1cqe h SER 455 Cb 0.80 -0.07 -0.02 0.00 -0.44 0.00 0.00 62.40 62.67 1cqe h SER 455 CO 0.07 0.31 -0.75 0.03 -0.53 0.00 0.00 176.83 175.96 1cqe h ARG 456 N 0.72 0.00 -0.08 2.24 3.08 -1.31 -0.73 114.38 118.31 1cqe h ARG 456 Ca 0.50 0.00 -0.03 0.00 0.07 0.00 0.00 59.98 60.53 1cqe h ARG 456 Cb 0.82 0.00 -0.00 0.00 0.08 0.00 0.00 29.97 30.87 1cqe h ARG 456 CO -0.27 0.75 -0.05 0.28 -1.07 0.00 0.00 179.97 179.61 1cqe h VAL 457 N 0.00 1.34 0.00 2.04 2.07 -0.79 -2.63 116.25 118.29 1cqe h VAL 457 Ca -0.01 -1.12 0.00 0.00 0.82 0.00 0.00 66.70 66.40 1cqe h VAL 457 Cb 1.43 1.92 0.00 0.00 -1.52 0.00 0.00 31.29 33.12 1cqe h VAL 457 CO 0.10 0.31 0.00 0.18 0.02 0.00 0.00 177.57 178.18 1cqe n LEU 458 N -4.74 0.43 -3.69 2.57 4.77 -0.23 -4.90 117.00 111.22 1cqe n LEU 458 Ca -0.07 0.61 -0.21 0.00 -0.03 0.00 0.00 56.01 56.31 1cqe n LEU 458 Cb 0.28 -0.56 0.03 0.00 -2.33 0.00 0.00 43.42 40.84 1cqe n LEU 458 CO 0.36 -0.48 -0.07 0.54 -1.33 0.00 0.00 177.39 176.41 1cqe n ARG 459 N -1.98 -4.84 -2.00 3.23 1.74 -0.37 -4.77 116.66 107.68 1cqe n ARG 459 Ca 0.02 0.62 -0.37 0.00 -0.77 0.00 0.00 57.85 57.35 1cqe n ARG 459 Cb 0.19 -5.17 0.02 0.00 -1.02 0.00 0.00 32.46 26.48 1cqe n ARG 459 CO 0.00 0.00 0.00 -0.51 -1.52 0.00 0.00 177.63 175.60 1cqe s LEU 460 N -6.65 3.87 0.90 0.55 1.43 -0.66 -1.58 118.68 116.54 1cqe s LEU 460 Ca 0.01 2.53 -0.12 0.00 -1.03 0.00 0.00 54.13 55.52 1cqe s LEU 460 Cb -0.00 -4.33 0.13 0.00 0.03 0.00 0.00 46.19 42.02 1cqe s LEU 460 CO 0.81 -1.35 1.11 -1.10 0.23 0.00 0.00 176.35 176.05 1cqe s GLN 461 N -2.92 1.26 0.64 1.70 -0.21 -1.26 -4.72 119.66 114.15 1cqe s GLN 461 Ca 0.70 0.56 -0.18 0.00 0.02 0.00 0.00 55.36 56.46 1cqe s GLN 461 Cb -0.34 -1.83 -0.02 0.00 1.00 0.00 0.00 33.01 31.82 1cqe s GLN 461 CO 0.40 -2.17 1.28 -2.14 -2.12 0.00 0.00 175.29 170.53 1cqe s PRO 462 N -5.09 2.63 0.28 2.91 0.02 -1.26 -4.27 135.00 130.20 1cqe s PRO 462 Ca 0.63 2.02 0.01 0.00 0.02 0.00 0.00 61.00 63.68 1cqe s PRO 462 Cb -0.16 -1.86 0.61 0.00 0.02 0.00 0.00 34.50 33.11 1cqe s PRO 462 CO 0.55 -1.53 1.75 0.35 -0.33 0.00 0.00 177.00 177.79 1cqe h PHE 463 N 0.60 0.78 0.00 6.54 3.57 -0.52 0.08 116.94 128.00 1cqe h PHE 463 Ca -0.51 0.04 -0.02 0.00 3.53 0.00 0.00 57.97 61.01 1cqe h PHE 463 Cb 1.33 -0.21 -0.00 0.00 2.79 0.00 0.00 35.95 39.86 1cqe h PHE 463 CO 0.42 0.13 -0.10 -0.91 -2.23 0.00 0.00 178.31 175.62 1cqe h ASN 464 N 0.58 0.00 -0.15 0.41 2.35 -1.85 -1.14 115.58 115.78 1cqe h ASN 464 Ca 0.50 0.00 -0.09 0.00 -0.55 0.00 0.00 56.30 56.17 1cqe h ASN 464 Cb 0.79 0.00 -0.00 0.00 0.05 0.00 0.00 38.32 39.16 1cqe h ASN 464 CO -0.41 0.10 -0.24 -0.33 -1.65 0.00 0.00 177.43 174.90 1cqe h GLU 465 N 0.00 0.43 -0.07 0.81 4.39 -1.33 -2.71 114.58 116.10 1cqe h GLU 465 Ca -0.00 -0.26 -0.06 0.00 0.34 0.00 0.00 59.36 59.38 1cqe h GLU 465 Cb 0.21 0.03 -0.01 0.00 -0.10 0.00 0.00 28.75 28.88 1cqe h GLU 465 CO 0.01 0.85 -0.22 1.88 -1.16 0.00 0.00 179.01 180.37 1cqe h TYR 466 N 0.05 0.13 0.08 4.33 0.05 -1.29 0.00 116.97 120.33 1cqe h TYR 466 Ca 0.01 -0.02 0.01 0.00 0.05 0.00 0.00 58.73 58.78 1cqe h TYR 466 Cb 0.81 -0.04 -0.01 0.00 1.01 0.00 0.00 36.73 38.51 1cqe h TYR 466 CO 0.09 0.34 -0.10 0.00 -1.05 0.00 0.00 178.16 177.45 1cqe h ARG 467 N 0.11 -0.20 -0.24 4.88 2.47 -1.04 -0.52 114.38 119.84 1cqe h ARG 467 Ca 0.02 0.01 -0.02 0.00 -1.26 0.00 0.00 59.98 58.74 1cqe h ARG 467 Cb 0.47 0.05 -0.01 0.00 -1.65 0.00 0.00 29.97 28.82 1cqe h ARG 467 CO 0.03 -0.13 0.09 0.87 0.56 0.00 0.00 179.97 181.39 1cqe h LYS 468 N -0.21 0.36 -0.82 0.04 1.57 -1.17 0.13 116.57 116.47 1cqe h LYS 468 Ca 0.01 -0.07 0.19 0.00 -1.87 0.00 0.00 60.65 58.91 1cqe h LYS 468 Cb 0.21 -0.06 -0.05 0.00 0.08 0.00 0.00 32.23 32.41 1cqe h LYS 468 CO -0.04 0.41 0.55 -0.09 -0.57 0.00 0.00 179.45 179.72 1cqe h ARG 469 N 0.23 0.34 -0.92 3.15 9.65 -0.61 0.02 114.38 126.24 1cqe h ARG 469 Ca 0.08 -0.02 -0.41 0.00 -1.10 0.00 0.00 59.98 58.53 1cqe h ARG 469 Cb 0.19 -0.08 -0.24 0.00 -1.39 0.00 0.00 29.97 28.45 1cqe h ARG 469 CO -0.01 0.22 0.52 1.19 2.80 0.00 0.00 179.97 184.69 1cqe n PHE 470 N -4.47 2.80 -1.43 2.20 3.72 -0.24 -4.92 117.46 115.13 1cqe n PHE 470 Ca 0.17 -1.59 -0.06 0.00 -0.05 0.00 0.00 57.45 55.91 1cqe n PHE 470 Cb 0.66 -0.85 -0.02 0.00 -0.94 0.00 0.00 39.48 38.33 1cqe n PHE 470 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 1cqe n GLY 471 N -0.77 0.64 3.60 1.37 0.00 -0.01 -4.89 105.19 105.15 1cqe n GLY 471 Ca 0.52 -0.74 -0.24 0.00 0.00 0.00 0.00 46.02 45.56 1cqe n GLY 471 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 1cqe s MET 472 N -3.00 2.10 0.15 1.61 -1.94 0.42 -4.98 119.30 113.66 1cqe s MET 472 Ca 0.00 -1.58 -0.21 0.00 -1.71 0.00 0.00 55.69 52.19 1cqe s MET 472 Cb 0.00 -2.01 -0.08 0.00 2.01 0.00 0.00 34.83 34.75 1cqe s MET 472 CO 0.00 0.29 0.68 0.15 -0.01 0.00 0.00 175.02 176.13 1cqe s LYS 473 N -3.65 4.31 0.51 2.03 1.02 -1.26 -3.06 119.74 119.64 1cqe s LYS 473 Ca 0.32 0.89 -0.20 0.00 0.02 0.00 0.00 55.97 57.00 1cqe s LYS 473 Cb -0.04 -3.11 -0.07 0.00 -0.52 0.00 0.00 37.83 34.09 1cqe s LYS 473 CO 0.19 0.53 1.07 -1.25 -0.92 0.00 0.00 175.35 174.97 1cqe s PRO 474 N -1.46 3.61 0.40 -1.68 0.04 -1.26 -4.81 135.00 129.83 1cqe s PRO 474 Ca 0.36 1.45 -0.26 0.00 0.04 0.00 0.00 61.00 62.59 1cqe s PRO 474 Cb -0.19 -2.06 -0.09 0.00 0.04 0.00 0.00 34.50 32.20 1cqe s PRO 474 CO 0.22 -0.61 1.26 0.71 0.04 0.00 0.00 177.00 178.62 1cqe s TYR 475 N -1.92 2.91 -0.75 0.56 2.02 -1.26 -4.95 117.35 113.97 1cqe s TYR 475 Ca 0.69 1.46 0.20 0.00 -0.37 0.00 0.00 57.07 59.05 1cqe s TYR 475 Cb -0.19 -3.58 -0.24 0.00 -0.40 0.00 0.00 41.96 37.54 1cqe s TYR 475 CO 0.23 -1.83 0.77 0.25 -1.57 0.00 0.00 175.55 173.40 1cqe n THR 476 N 0.15 0.00 -3.54 -0.71 -2.24 -1.26 -4.83 114.28 101.86 1cqe n THR 476 Ca 0.04 -0.13 -0.12 0.00 -2.27 0.00 0.00 64.05 61.57 1cqe n THR 476 Cb 0.44 0.78 -0.04 0.00 -2.10 0.00 0.00 70.33 69.41 1cqe n THR 476 CO 0.00 0.00 0.00 -0.94 -0.57 0.00 0.00 175.07 173.56 1cqe s SER 477 N -3.26 -0.42 0.42 3.42 1.04 -1.26 -4.95 113.70 108.69 1cqe s SER 477 Ca 0.04 -0.04 0.16 0.00 0.48 0.00 0.00 55.95 56.59 1cqe s SER 477 Cb 0.15 0.53 0.93 0.00 0.10 0.00 0.00 66.02 67.73 1cqe s SER 477 CO 0.84 -0.85 1.92 -0.26 0.98 0.00 0.00 173.24 175.87 1cqe h PHE 478 N 2.36 0.00 -0.32 5.02 0.04 -1.95 -2.77 116.94 119.32 1cqe h PHE 478 Ca -0.33 0.00 -0.18 0.00 2.80 0.00 0.00 57.97 60.26 1cqe h PHE 478 Cb 1.26 0.00 -0.00 0.00 2.20 0.00 0.00 35.95 39.41 1cqe h PHE 478 CO 0.30 0.27 -0.49 -0.56 -0.60 0.00 0.00 178.31 177.22 1cqe h GLN 479 N 0.00 0.89 -0.41 1.51 -0.00 -1.86 -1.45 115.11 113.79 1cqe h GLN 479 Ca -0.00 -0.53 0.02 0.00 -0.00 0.00 0.00 58.65 58.14 1cqe h GLN 479 Cb 0.50 0.05 -0.02 0.00 -0.00 0.00 0.00 27.48 28.01 1cqe h GLN 479 CO 0.03 1.17 0.27 1.49 -0.00 0.00 0.00 178.83 181.80 1cqe h GLU 480 N 0.70 0.46 0.35 0.06 4.81 -1.80 0.57 114.58 119.73 1cqe h GLU 480 Ca 0.03 -0.03 -0.02 0.00 -0.13 0.00 0.00 59.36 59.22 1cqe h GLU 480 Cb 1.10 -0.10 0.00 0.00 0.63 0.00 0.00 28.75 30.38 1cqe h GLU 480 CO 0.11 0.30 -0.17 1.25 -0.73 0.00 0.00 179.01 179.78 1cqe h LEU 481 N 0.47 -0.40 -0.56 1.64 5.85 -1.31 -3.37 115.31 117.63 1cqe h LEU 481 Ca 0.16 0.01 -0.16 0.00 0.84 0.00 0.00 57.88 58.74 1cqe h LEU 481 Cb 0.06 0.10 -0.01 0.00 0.37 0.00 0.00 40.66 41.18 1cqe h LEU 481 CO -0.04 0.03 -0.62 0.71 -0.34 0.00 0.00 178.44 178.18 1cqe h THR 482 N -1.09 1.37 0.00 1.05 1.35 -1.15 -1.89 112.91 112.54 1cqe h THR 482 Ca -0.05 -1.97 0.00 0.00 -0.55 0.00 0.00 66.41 63.84 1cqe h THR 482 Cb 0.36 1.97 0.00 0.00 -1.73 0.00 0.00 68.15 68.75 1cqe h THR 482 CO 0.08 0.59 0.00 0.61 -0.25 0.00 0.00 175.52 176.55 1cqe n GLY 483 N 0.33 0.79 0.00 5.82 0.00 0.20 -4.18 105.19 108.14 1cqe n GLY 483 Ca -0.03 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.99 1cqe n GLY 483 CO 0.00 0.00 0.00 -1.84 0.00 0.00 0.00 173.32 171.48 1cqe n GLU 484 N -2.41 0.00 0.00 1.61 -0.00 -1.23 -5.04 120.64 113.57 1cqe n GLU 484 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 57.16 57.16 1cqe n GLU 484 Cb 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 31.44 31.44 1cqe n GLU 484 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.13 178.76 1cqe n LYS 485 N 0.00 2.44 0.05 3.44 5.02 -1.26 -4.40 118.16 123.45 1cqe n LYS 485 Ca 0.00 0.00 -0.02 0.00 -2.02 0.00 0.00 58.31 56.27 1cqe n LYS 485 Cb 0.00 -0.86 -0.01 0.00 -0.02 0.00 0.00 35.03 34.15 1cqe n LYS 485 CO 0.00 0.00 0.00 1.49 -0.52 0.00 0.00 177.40 178.37 1cqe h GLU 486 N 0.00 -0.13 -0.65 1.97 4.81 -2.00 -2.00 114.58 116.60 1cqe h GLU 486 Ca 0.00 0.01 0.08 0.00 -0.13 0.00 0.00 59.36 59.31 1cqe h GLU 486 Cb 0.71 0.03 -0.06 0.00 0.63 0.00 0.00 28.75 30.06 1cqe h GLU 486 CO 0.00 -0.08 0.32 0.52 -0.73 0.00 0.00 179.01 179.03 1cqe h MET 487 N -0.14 0.55 -0.61 1.92 2.86 -2.00 -2.82 114.93 114.70 1cqe h MET 487 Ca -0.01 -0.03 0.13 0.00 -2.06 0.00 0.00 59.70 57.72 1cqe h MET 487 Cb 0.10 -0.13 -0.11 0.00 0.06 0.00 0.00 31.60 31.52 1cqe h MET 487 CO 0.02 0.37 -0.09 0.00 1.06 0.00 0.00 176.91 178.27 1cqe h ALA 488 N 1.38 0.49 -0.62 6.32 0.00 -1.82 0.32 119.26 125.33 1cqe h ALA 488 Ca 0.31 0.22 -0.06 0.00 0.00 0.00 0.00 54.91 55.37 1cqe h ALA 488 Cb 0.28 0.40 -0.03 0.00 0.00 0.00 0.00 17.79 18.45 1cqe h ALA 488 CO -0.23 -0.42 0.14 0.00 0.00 0.00 0.00 179.25 178.74 1cqe h ALA 489 N 1.59 1.08 -0.17 0.00 0.00 -1.10 -0.09 119.26 120.56 1cqe h ALA 489 Ca 0.30 -0.23 -0.20 0.00 0.00 0.00 0.00 54.91 54.79 1cqe h ALA 489 Cb 0.48 -0.24 0.00 0.00 0.00 0.00 0.00 17.79 18.03 1cqe h ALA 489 CO -0.58 0.61 -0.68 1.49 0.00 0.00 0.00 179.25 180.09 1cqe h GLU 490 N 0.93 0.67 -0.72 0.00 4.81 -1.09 -2.27 114.58 116.91 1cqe h GLU 490 Ca 0.20 -0.50 -0.01 0.00 -0.13 0.00 0.00 59.36 58.92 1cqe h GLU 490 Cb 0.35 0.09 -0.03 0.00 0.63 0.00 0.00 28.75 29.78 1cqe h GLU 490 CO 0.00 1.12 0.43 -0.07 -0.73 0.00 0.00 179.01 179.76 1cqe h LEU 491 N 0.48 0.87 -0.74 1.64 3.38 -0.74 -2.00 115.31 118.20 1cqe h LEU 491 Ca -0.02 -0.07 -0.03 0.00 0.09 0.00 0.00 57.88 57.85 1cqe h LEU 491 Cb 1.28 -0.22 -0.03 0.00 0.09 0.00 0.00 40.66 41.78 1cqe h LEU 491 CO 0.13 0.68 0.35 -0.08 0.09 0.00 0.00 178.44 179.62 1cqe h GLU 492 N 0.98 1.07 0.00 1.13 4.81 -0.90 0.20 114.58 121.87 1cqe h GLU 492 Ca 0.26 -0.16 0.00 0.00 -0.13 0.00 0.00 59.36 59.33 1cqe h GLU 492 Cb -0.02 -0.19 0.00 0.00 0.63 0.00 0.00 28.75 29.16 1cqe h GLU 492 CO -0.05 0.84 0.00 -0.85 -0.73 0.00 0.00 179.01 178.22 1cqe n GLU 493 N -4.39 0.16 -0.08 1.92 0.28 -0.87 -0.12 120.64 117.54 1cqe n GLU 493 Ca 0.06 0.27 -0.21 0.00 -0.16 0.00 0.00 57.16 57.12 1cqe n GLU 493 Cb 0.14 -1.75 -0.12 0.00 1.43 0.00 0.00 31.44 31.14 1cqe n GLU 493 CO 0.00 0.00 0.00 -0.07 -0.16 0.00 0.00 177.13 176.90 1cqe h LEU 494 N 0.00 0.07 0.01 -1.84 3.38 -0.54 -3.39 115.31 113.00 1cqe h LEU 494 Ca 0.00 -0.63 -0.26 0.00 0.09 0.00 0.00 57.88 57.08 1cqe h LEU 494 Cb 0.49 -0.02 -0.04 0.00 0.09 0.00 0.00 40.66 41.18 1cqe h LEU 494 CO 0.00 1.48 -1.44 1.88 0.09 0.00 0.00 178.44 180.45 1cqe h TYR 495 N -0.86 0.04 0.00 1.13 0.05 -0.71 -3.41 116.97 113.22 1cqe h TYR 495 Ca -0.31 -0.03 0.00 0.00 0.05 0.00 0.00 58.73 58.44 1cqe h TYR 495 Cb 1.37 -0.00 0.00 0.00 1.01 0.00 0.00 36.73 39.11 1cqe h TYR 495 CO 0.12 1.04 0.00 0.41 -1.05 0.00 0.00 178.16 178.68 1cqe n GLY 496 N 1.49 1.87 2.97 3.88 0.00 0.82 -3.38 105.19 112.85 1cqe n GLY 496 Ca -0.11 -0.27 -0.16 0.00 0.00 0.00 0.00 46.02 45.48 1cqe n GLY 496 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1cqe s ASP 497 N 0.00 0.65 0.36 1.61 -1.08 -1.26 -4.92 116.67 112.03 1cqe s ASP 497 Ca 0.00 -0.16 0.06 0.00 -0.52 0.00 0.00 52.55 51.94 1cqe s ASP 497 Cb 0.00 -0.06 0.70 0.00 -1.46 0.00 0.00 42.92 42.11 1cqe s ASP 497 CO 0.00 0.03 1.92 -0.29 0.52 0.00 0.00 175.17 177.35 1cqe h ILE 498 N 4.95 1.17 0.00 4.11 6.09 -1.92 -0.04 117.51 131.87 1cqe h ILE 498 Ca -0.29 -0.66 0.00 0.00 -1.37 0.00 0.00 64.86 62.54 1cqe h ILE 498 Cb 1.19 0.93 0.00 0.00 0.47 0.00 0.00 36.82 39.41 1cqe h ILE 498 CO 0.49 0.23 0.00 0.47 -3.07 0.00 0.00 178.15 176.27 1cqe n ASP 499 N -4.32 0.00 0.00 2.19 8.00 -1.26 -0.67 116.55 120.50 1cqe n ASP 499 Ca 0.01 -1.02 0.00 0.00 0.71 0.00 0.00 54.79 54.49 1cqe n ASP 499 Cb 0.21 0.00 0.00 0.00 -0.02 0.00 0.00 41.12 41.31 1cqe n ASP 499 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1cqe n ALA 500 N -0.55 2.34 -1.93 2.24 0.00 -0.03 -4.79 120.51 117.80 1cqe n ALA 500 Ca 0.01 -0.47 -0.42 0.00 0.00 0.00 0.00 53.44 52.56 1cqe n ALA 500 Cb 0.01 0.00 -0.03 0.00 0.00 0.00 0.00 19.45 19.43 1cqe n ALA 500 CO 0.00 0.00 0.00 -1.17 0.00 0.00 0.00 177.50 176.33 1cqe s LEU 501 N -0.00 4.37 0.60 0.00 2.96 0.16 -4.89 118.68 121.88 1cqe s LEU 501 Ca 0.00 2.56 -0.16 0.00 -0.22 0.00 0.00 54.13 56.31 1cqe s LEU 501 Cb 0.00 -3.58 -0.03 0.00 0.50 0.00 0.00 46.19 43.08 1cqe s LEU 501 CO 0.00 -0.85 1.08 -1.61 -1.32 0.00 0.00 176.35 173.65 1cqe s GLU 502 N 1.81 3.18 0.09 1.98 2.02 -1.26 0.13 118.70 126.65 1cqe s GLU 502 Ca 0.72 1.32 -0.26 0.00 0.02 0.00 0.00 54.97 56.77 1cqe s GLU 502 Cb -0.42 -2.01 -0.10 0.00 0.10 0.00 0.00 34.13 31.71 1cqe s GLU 502 CO 0.32 -0.93 1.42 0.35 0.02 0.00 0.00 175.26 176.43 1cqe h PHE 503 N 0.46 -1.23 0.43 1.61 3.57 -1.87 -1.05 116.94 118.86 1cqe h PHE 503 Ca -0.47 0.05 -0.02 0.00 3.53 0.00 0.00 57.97 61.05 1cqe h PHE 503 Cb 1.23 0.55 0.00 0.00 2.79 0.00 0.00 35.95 40.53 1cqe h PHE 503 CO 0.56 -0.41 -0.21 -0.92 -2.23 0.00 0.00 178.31 175.10 1cqe h TYR 504 N -0.43 -0.54 -0.57 0.41 3.20 -1.95 -2.35 116.97 114.74 1cqe h TYR 504 Ca 0.03 -0.01 0.09 0.00 3.14 0.00 0.00 58.73 61.97 1cqe h TYR 504 Cb 0.51 0.18 -0.07 0.00 1.54 0.00 0.00 36.73 38.89 1cqe h TYR 504 CO -0.56 -0.28 0.18 -1.35 -1.64 0.00 0.00 178.16 174.51 1cqe h PRO 505 N -0.68 0.34 -0.66 1.82 0.11 -1.97 -1.09 132.00 129.86 1cqe h PRO 505 Ca -0.06 -0.02 0.10 0.00 0.11 0.00 0.00 66.00 66.13 1cqe h PRO 505 Cb 0.50 -0.08 -0.08 0.00 0.11 0.00 0.00 31.00 31.46 1cqe h PRO 505 CO 0.10 0.22 0.28 0.78 -0.21 0.00 0.00 178.00 179.17 1cqe h GLY 506 N 0.35 0.96 0.96 -0.55 0.00 -1.16 0.44 103.07 104.08 1cqe h GLY 506 Ca 0.29 -0.15 -0.01 0.00 0.00 0.00 0.00 47.33 47.46 1cqe h GLY 506 CO -0.32 -0.01 0.21 1.41 0.00 0.00 0.00 176.54 177.83 1cqe h LEU 507 N 0.47 0.48 -0.22 3.11 3.38 -0.65 -2.16 115.31 119.73 1cqe h LEU 507 Ca 0.34 -0.09 -0.15 0.00 0.09 0.00 0.00 57.88 58.06 1cqe h LEU 507 Cb 0.42 -0.12 -0.02 0.00 0.09 0.00 0.00 40.66 41.02 1cqe h LEU 507 CO -0.31 0.44 -0.72 -0.07 0.09 0.00 0.00 178.44 177.87 1cqe h LEU 508 N 0.49 0.00 0.00 1.67 3.38 -1.07 -3.32 115.31 116.46 1cqe h LEU 508 Ca 0.13 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.10 1cqe h LEU 508 Cb 0.07 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.82 1cqe h LEU 508 CO -0.02 0.72 -0.72 0.18 0.09 0.00 0.00 178.44 178.69 1cqe n LEU 509 N -3.39 0.61 -4.77 1.67 4.77 0.12 -1.77 117.00 114.24 1cqe n LEU 509 Ca 0.00 0.02 -0.40 0.00 -0.03 0.00 0.00 56.01 55.60 1cqe n LEU 509 Cb 0.78 -0.17 -0.02 0.00 -2.33 0.00 0.00 43.42 41.68 1cqe n LEU 509 CO 0.43 0.06 0.93 -0.70 -1.33 0.00 0.00 177.39 176.79 1cqe s GLU 510 N -3.10 4.21 0.31 3.23 2.12 -0.81 -4.41 118.70 120.25 1cqe s GLU 510 Ca 0.07 2.10 -0.30 0.00 0.36 0.00 0.00 54.97 57.21 1cqe s GLU 510 Cb 0.15 -2.92 -0.12 0.00 0.26 0.00 0.00 34.13 31.51 1cqe s GLU 510 CO 0.75 -0.27 1.56 0.36 -0.54 0.00 0.00 175.26 177.12 1cqe n LYS 511 N 0.50 2.67 -1.99 4.30 2.85 -0.71 -3.56 118.16 122.23 1cqe n LYS 511 Ca 0.02 0.95 -0.33 0.00 -1.05 0.00 0.00 58.31 57.90 1cqe n LYS 511 Cb 0.43 -2.71 0.02 0.00 -0.65 0.00 0.00 35.03 32.12 1cqe n LYS 511 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 177.40 177.35 1cqe s HIS 513 N -2.44 2.59 0.14 0.00 3.76 -1.04 -4.84 115.29 113.46 1cqe s HIS 513 Ca 0.64 1.55 -0.35 0.00 -0.15 0.00 0.00 55.06 56.76 1cqe s HIS 513 Cb -0.17 -3.15 -0.15 0.00 1.11 0.00 0.00 32.58 30.22 1cqe s HIS 513 CO 0.38 -1.74 1.48 -2.30 -0.85 0.00 0.00 174.74 171.71 1cqe n PRO 514 N -2.66 1.77 -1.66 8.40 -0.02 -1.26 -1.33 135.00 138.23 1cqe n PRO 514 Ca 0.10 0.64 -0.15 0.00 -2.02 0.00 0.00 63.50 62.07 1cqe n PRO 514 Cb 0.52 -2.35 -0.05 0.00 -0.02 0.00 0.00 33.50 31.60 1cqe n PRO 514 CO 0.00 0.00 0.00 0.09 1.98 0.00 0.00 175.50 177.57 1cqe n ASN 515 N 3.03 -4.04 -4.95 2.55 4.13 -1.26 -4.94 115.26 109.77 1cqe n ASN 515 Ca 0.17 0.31 -0.20 0.00 1.68 0.00 0.00 54.58 56.55 1cqe n ASN 515 Cb 0.25 -3.64 -0.02 0.00 -1.54 0.00 0.00 39.78 34.83 1cqe n ASN 515 CO 0.00 0.00 0.00 -0.44 0.28 0.00 0.00 177.26 177.10 1cqe s SER 516 N -2.21 5.83 0.39 6.41 0.01 -0.44 -4.15 113.70 119.54 1cqe s SER 516 Ca 0.00 -0.23 0.21 0.00 1.31 0.00 0.00 55.95 57.23 1cqe s SER 516 Cb 0.00 -1.26 0.32 0.00 0.21 0.00 0.00 66.02 65.29 1cqe s SER 516 CO 0.00 -0.35 1.58 -0.29 0.41 0.00 0.00 173.24 174.59 1cqe h ILE 517 N 1.04 0.35 -3.17 1.44 2.10 -1.89 -3.43 117.51 113.94 1cqe h ILE 517 Ca -0.46 -1.43 -0.06 0.00 1.08 0.00 0.00 64.86 63.98 1cqe h ILE 517 Cb 1.25 2.12 -0.01 0.00 -1.09 0.00 0.00 36.82 39.10 1cqe h ILE 517 CO 0.55 0.19 0.21 0.72 -1.08 0.00 0.00 178.15 178.75 1cqe s PHE 518 N -3.16 0.28 0.55 2.19 -0.12 -1.26 -0.49 117.98 115.97 1cqe s PHE 518 Ca 0.05 -0.90 0.06 0.00 -0.05 0.00 0.00 56.93 56.09 1cqe s PHE 518 Cb 0.06 0.71 0.10 0.00 -0.63 0.00 0.00 43.02 43.26 1cqe s PHE 518 CO 0.69 -1.53 0.76 0.41 -0.05 0.00 0.00 175.22 175.50 1cqe n GLY 519 N -0.54 1.54 0.35 1.99 0.00 -1.26 -2.51 105.19 104.76 1cqe n GLY 519 Ca -0.07 -2.15 -0.02 0.00 0.00 0.00 0.00 46.02 43.77 1cqe n GLY 519 CO 0.00 0.00 0.00 -2.09 0.00 0.00 0.00 173.32 171.23 1cqe h GLU 520 N 0.00 -0.07 -0.83 1.61 4.81 -1.93 -2.78 114.58 115.40 1cqe h GLU 520 Ca -0.25 0.00 0.04 0.00 -0.13 0.00 0.00 59.36 59.02 1cqe h GLU 520 Cb 1.09 0.02 -0.05 0.00 0.63 0.00 0.00 28.75 30.43 1cqe h GLU 520 CO 0.33 -0.05 0.53 0.77 -0.73 0.00 0.00 179.01 179.86 1cqe h SER 521 N -0.07 0.86 -0.66 1.04 0.02 -1.94 -1.23 113.55 111.57 1cqe h SER 521 Ca 0.31 0.00 0.04 0.00 -0.84 0.00 0.00 61.79 61.30 1cqe h SER 521 Cb 0.58 -0.19 -0.04 0.00 0.14 0.00 0.00 62.40 62.90 1cqe h SER 521 CO -0.83 0.58 0.44 -0.03 -1.14 0.00 0.00 176.83 175.85 1cqe h MET 522 N 1.01 0.75 0.11 3.45 1.85 -1.81 0.81 114.93 121.10 1cqe h MET 522 Ca 0.34 -0.05 -0.01 0.00 -0.61 0.00 0.00 59.70 59.38 1cqe h MET 522 Cb 0.05 -0.17 0.00 0.00 0.43 0.00 0.00 31.60 31.91 1cqe h MET 522 CO -0.13 0.50 -0.05 0.82 -0.40 0.00 0.00 176.91 177.64 1cqe h ILE 523 N 0.77 0.11 -0.46 1.77 2.04 -1.49 -1.36 117.51 118.89 1cqe h ILE 523 Ca 0.27 -0.96 0.13 0.00 1.00 0.00 0.00 64.86 65.30 1cqe h ILE 523 Cb 0.10 0.20 -0.02 0.00 -0.74 0.00 0.00 36.82 36.37 1cqe h ILE 523 CO -0.08 0.03 0.36 -0.33 0.00 0.00 0.00 178.15 178.13 1cqe h GLU 524 N -1.03 0.00 0.05 2.37 4.39 -1.12 0.20 114.58 119.44 1cqe h GLU 524 Ca -0.02 0.00 -0.38 0.00 0.34 0.00 0.00 59.36 59.31 1cqe h GLU 524 Cb 0.17 0.00 -0.05 0.00 -0.10 0.00 0.00 28.75 28.77 1cqe h GLU 524 CO 0.03 0.00 -2.27 -1.33 -1.16 0.00 0.00 179.01 174.27 1cqe n MET 525 N -4.25 0.70 0.07 2.33 2.81 0.27 -4.50 117.12 114.54 1cqe n MET 525 Ca 0.08 0.20 -0.12 0.00 -1.81 0.00 0.00 57.70 56.05 1cqe n MET 525 Cb 0.56 -1.60 -0.04 0.00 -0.71 0.00 0.00 33.22 31.43 1cqe n MET 525 CO 0.00 0.00 0.00 0.78 1.51 0.00 0.00 175.97 178.26 1cqe h GLY 526 N 1.58 0.40 0.73 3.03 0.00 -1.07 -3.34 103.07 104.41 1cqe h GLY 526 Ca -0.51 -0.70 0.01 0.00 0.00 0.00 0.00 47.33 46.12 1cqe h GLY 526 CO -0.02 0.62 -0.15 0.00 0.00 0.00 0.00 176.54 176.99 1cqe h ALA 527 N 0.80 -0.25 -0.22 3.60 0.00 -1.11 -0.44 119.26 121.63 1cqe h ALA 527 Ca -0.07 -0.02 0.06 0.00 0.00 0.00 0.00 54.91 54.88 1cqe h ALA 527 Cb 1.55 0.24 -0.06 0.00 0.00 0.00 0.00 17.79 19.52 1cqe h ALA 527 CO 0.16 -0.67 -0.20 -1.35 0.00 0.00 0.00 179.25 177.18 1cqe h PRO 528 N -0.30 -0.21 -0.74 0.00 0.11 -1.77 0.35 132.00 129.44 1cqe h PRO 528 Ca 0.02 0.01 0.11 0.00 0.11 0.00 0.00 66.00 66.25 1cqe h PRO 528 Cb 0.32 0.05 -0.08 0.00 0.11 0.00 0.00 31.00 31.40 1cqe h PRO 528 CO -0.09 -0.14 0.37 0.74 -0.21 0.00 0.00 178.00 178.67 1cqe h PHE 529 N -0.21 0.65 0.23 0.65 0.04 -1.65 -2.01 116.94 114.64 1cqe h PHE 529 Ca 0.13 0.03 -0.01 0.00 2.80 0.00 0.00 57.97 60.92 1cqe h PHE 529 Cb 0.41 -0.18 0.00 0.00 2.20 0.00 0.00 35.95 38.38 1cqe h PHE 529 CO -0.36 0.21 -0.11 0.77 -0.60 0.00 0.00 178.31 178.22 1cqe h SER 530 N 0.60 -0.27 -0.75 2.17 0.02 0.29 -2.87 113.55 112.74 1cqe h SER 530 Ca 0.37 -0.24 -0.05 0.00 -0.84 0.00 0.00 61.79 61.03 1cqe h SER 530 Cb 0.43 0.07 -0.03 0.00 0.14 0.00 0.00 62.40 63.01 1cqe h SER 530 CO -0.29 0.14 0.26 -0.07 -1.14 0.00 0.00 176.83 175.72 1cqe h LEU 531 N -0.72 1.07 -0.66 5.07 3.38 -0.33 -2.52 115.31 120.60 1cqe h LEU 531 Ca -0.03 -0.18 -0.02 0.00 0.09 0.00 0.00 57.88 57.74 1cqe h LEU 531 Cb 0.49 -0.28 -0.03 0.00 0.09 0.00 0.00 40.66 40.93 1cqe h LEU 531 CO 0.05 0.97 0.36 0.50 0.09 0.00 0.00 178.44 180.41 1cqe h LYS 532 N 1.11 0.93 0.00 1.13 1.63 -1.46 -0.25 116.57 119.65 1cqe h LYS 532 Ca 0.25 -0.11 -0.00 0.00 -0.85 0.00 0.00 60.65 59.93 1cqe h LYS 532 Cb 0.27 -0.18 -0.00 0.00 -0.60 0.00 0.00 32.23 31.72 1cqe h LYS 532 CO -0.01 0.71 -0.02 0.78 -3.45 0.00 0.00 179.45 177.46 1cqe h GLY 533 N 0.91 0.00 0.01 5.01 0.00 -1.31 0.49 103.07 108.18 1cqe h GLY 533 Ca 0.23 0.00 -0.25 0.00 0.00 0.00 0.00 47.33 47.31 1cqe h GLY 533 CO -0.04 0.00 -1.36 1.04 0.00 0.00 0.00 176.54 176.18 1cqe n LEU 534 N -3.12 1.88 0.21 3.11 4.77 -0.94 -4.37 117.00 118.53 1cqe n LEU 534 Ca 0.00 0.41 0.13 0.00 -0.03 0.00 0.00 56.01 56.53 1cqe n LEU 534 Cb 0.31 -0.96 0.33 0.00 -2.33 0.00 0.00 43.42 40.77 1cqe n LEU 534 CO 0.27 0.31 0.86 -0.07 -1.33 0.00 0.00 177.39 177.43 1cqe h LEU 535 N -0.98 0.00 -0.11 2.23 -0.00 -1.06 -3.11 115.31 112.29 1cqe h LEU 535 Ca -0.38 0.00 0.00 0.00 -0.00 0.00 0.00 57.88 57.50 1cqe h LEU 535 Cb 1.34 0.00 0.00 0.00 -0.00 0.00 0.00 40.66 42.00 1cqe h LEU 535 CO -0.22 0.00 0.00 0.61 -0.00 0.00 0.00 178.44 178.83 1cqe n GLY 536 N 0.86 -0.87 3.76 0.83 0.00 0.17 -4.71 105.19 105.23 1cqe n GLY 536 Ca 0.03 -0.10 -0.40 0.00 0.00 0.00 0.00 46.02 45.55 1cqe n GLY 536 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 1cqe s ASN 537 N -1.36 7.24 0.54 1.61 3.84 -1.18 -2.50 114.94 123.13 1cqe s ASN 537 Ca 0.18 2.27 0.23 0.00 0.21 0.00 0.00 52.86 55.76 1cqe s ASN 537 Cb 0.09 -2.62 1.40 0.00 -0.55 0.00 0.00 41.25 39.56 1cqe s ASN 537 CO 0.14 -0.18 2.05 1.55 -2.79 0.00 0.00 177.10 177.88 1cqe h PRO 538 N 3.98 0.00 0.00 0.43 0.13 -1.89 0.10 132.00 134.75 1cqe h PRO 538 Ca -0.46 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.67 1cqe h PRO 538 Cb 1.21 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.34 1cqe h PRO 538 CO 0.68 0.00 0.00 0.44 -0.23 0.00 0.00 178.00 178.89 1cqe n ILE 539 N -4.33 1.12 1.02 -3.56 -5.35 -1.26 -1.58 119.36 105.43 1cqe n ILE 539 Ca 0.05 0.38 0.12 0.00 -0.27 0.00 0.00 62.75 63.03 1cqe n ILE 539 Cb 0.42 -1.28 0.26 0.00 -1.74 0.00 0.00 39.64 37.30 1cqe n ILE 539 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 1cqe s SER 541 N -2.96 5.71 0.45 0.00 1.04 -0.61 -4.80 113.70 112.53 1cqe s SER 541 Ca 0.12 1.87 0.11 0.00 0.48 0.00 0.00 55.95 58.53 1cqe s SER 541 Cb 0.18 -2.54 1.00 0.00 0.10 0.00 0.00 66.02 64.76 1cqe s SER 541 CO 0.69 -1.22 2.06 -0.65 0.98 0.00 0.00 173.24 175.10 1cqe h PRO 542 N 0.47 0.26 -0.72 4.02 0.11 -1.90 0.46 132.00 134.70 1cqe h PRO 542 Ca -0.47 -0.02 0.04 0.00 0.11 0.00 0.00 66.00 65.66 1cqe h PRO 542 Cb 1.23 -0.05 -0.04 0.00 0.11 0.00 0.00 31.00 32.24 1cqe h PRO 542 CO 0.57 0.22 0.48 1.49 -0.21 0.00 0.00 178.00 180.55 1cqe h GLU 543 N 0.27 0.82 0.00 1.05 4.57 -1.91 -3.26 114.58 116.11 1cqe h GLU 543 Ca 0.07 -0.05 -0.34 0.00 -1.18 0.00 0.00 59.36 57.86 1cqe h GLU 543 Cb 0.06 -0.18 -0.06 0.00 -0.16 0.00 0.00 28.75 28.40 1cqe h GLU 543 CO -0.01 0.54 -2.29 0.66 -1.18 0.00 0.00 179.01 176.73 1cqe n TYR 544 N -4.46 0.00 -1.46 0.92 4.02 -0.66 -4.77 117.16 110.75 1cqe n TYR 544 Ca 0.10 0.00 -0.35 0.00 -0.01 0.00 0.00 57.90 57.64 1cqe n TYR 544 Cb 0.15 -0.92 -0.07 0.00 -0.02 0.00 0.00 39.34 38.48 1cqe n TYR 544 CO 0.00 0.00 0.00 1.87 -1.01 0.00 0.00 176.86 177.72 1cqe n TRP 545 N -2.77 1.83 -3.93 -0.72 -0.00 0.06 -4.57 117.44 107.35 1cqe n TRP 545 Ca -0.32 -1.31 -0.10 0.00 -0.00 0.00 0.00 57.50 55.76 1cqe n TRP 545 Cb 1.08 -2.02 -0.11 0.00 -0.00 0.00 0.00 31.31 30.26 1cqe n TRP 545 CO 0.00 0.00 0.00 0.15 -0.00 0.00 0.00 177.69 177.84 1cqe s LYS 546 N 6.23 0.29 0.39 5.87 1.02 -1.26 -4.91 119.74 127.37 1cqe s LYS 546 Ca 0.66 -0.43 0.07 0.00 0.02 0.00 0.00 55.97 56.28 1cqe s LYS 546 Cb 0.07 0.11 0.80 0.00 -0.52 0.00 0.00 37.83 38.28 1cqe s LYS 546 CO 0.17 -0.05 2.00 0.00 -0.92 0.00 0.00 175.35 176.55 1cqe h ALA 547 N 4.88 1.61 0.00 5.17 0.00 -1.87 -1.60 119.26 127.44 1cqe h ALA 547 Ca -0.30 -0.08 -0.03 0.00 0.00 0.00 0.00 54.91 54.49 1cqe h ALA 547 Cb 1.21 -0.15 -0.00 0.00 0.00 0.00 0.00 17.79 18.84 1cqe h ALA 547 CO 0.42 0.31 -0.16 0.66 0.00 0.00 0.00 179.25 180.49 1cqe h SER 548 N 0.51 0.00 -0.11 0.00 4.64 -1.93 -1.08 113.55 115.58 1cqe h SER 548 Ca 0.13 0.00 0.03 0.00 -0.47 0.00 0.00 61.79 61.48 1cqe h SER 548 Cb 0.07 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 62.15 1cqe h SER 548 CO -0.02 0.16 0.09 0.74 -0.87 0.00 0.00 176.83 176.93 1cqe h THR 549 N 0.00 0.80 -0.20 2.95 2.02 -1.53 -1.60 112.91 115.35 1cqe h THR 549 Ca -0.00 0.00 0.00 0.00 0.77 0.00 0.00 66.41 67.18 1cqe h THR 549 Cb 0.29 0.94 0.00 0.00 -1.74 0.00 0.00 68.15 67.63 1cqe h THR 549 CO 0.02 0.00 0.00 0.49 0.37 0.00 0.00 175.52 176.40 1cqe n PHE 550 N -4.30 0.25 -0.30 3.16 3.72 -0.69 -4.90 117.46 114.40 1cqe n PHE 550 Ca -0.00 -0.16 0.00 0.00 -0.05 0.00 0.00 57.45 57.24 1cqe n PHE 550 Cb 0.20 -0.00 0.00 0.00 -0.94 0.00 0.00 39.48 38.74 1cqe n PHE 550 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 1cqe n GLY 551 N 1.10 0.84 0.00 1.37 0.00 -0.60 -4.14 105.19 103.76 1cqe n GLY 551 Ca 0.14 -0.13 0.00 0.00 0.00 0.00 0.00 46.02 46.03 1cqe n GLY 551 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1cqe n GLY 552 N -2.30 0.52 0.33 -0.02 0.00 -0.49 -4.69 105.19 98.54 1cqe n GLY 552 Ca 0.00 -2.27 -0.01 0.00 0.00 0.00 0.00 46.02 43.74 1cqe n GLY 552 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 1cqe h GLU 553 N 8.78 0.93 0.22 1.61 4.39 -1.94 -2.23 114.58 126.35 1cqe h GLU 553 Ca 0.00 -0.12 0.00 0.00 0.34 0.00 0.00 59.36 59.58 1cqe h GLU 553 Cb 0.00 -0.18 -0.03 0.00 -0.10 0.00 0.00 28.75 28.44 1cqe h GLU 553 CO 0.00 0.72 -0.43 0.28 -1.16 0.00 0.00 179.01 178.42 1cqe h VAL 554 N 0.93 0.00 -0.55 3.13 2.07 -1.93 0.16 116.25 120.05 1cqe h VAL 554 Ca 0.23 0.00 -0.03 0.00 0.82 0.00 0.00 66.70 67.72 1cqe h VAL 554 Cb 0.09 0.00 -0.03 0.00 -1.52 0.00 0.00 31.29 29.83 1cqe h VAL 554 CO -0.03 0.00 0.21 1.23 0.02 0.00 0.00 177.57 179.00 1cqe h GLY 555 N -0.69 0.87 1.14 2.17 0.00 -1.71 -2.52 103.07 102.33 1cqe h GLY 555 Ca -0.02 -0.44 -0.02 0.00 0.00 0.00 0.00 47.33 46.84 1cqe h GLY 555 CO -0.17 0.42 0.42 -2.75 0.00 0.00 0.00 176.54 174.46 1cqe h PHE 556 N 0.80 1.10 -0.00 5.60 3.57 -0.97 -2.37 116.94 124.67 1cqe h PHE 556 Ca 0.19 -0.03 -0.18 0.00 3.53 0.00 0.00 57.97 61.48 1cqe h PHE 556 Cb 0.18 -0.35 -0.02 0.00 2.79 0.00 0.00 35.95 38.55 1cqe h PHE 556 CO 0.01 0.78 -0.82 -0.91 -2.23 0.00 0.00 178.31 175.14 1cqe h ASN 557 N 1.12 0.10 -0.74 0.41 2.35 -0.45 -1.43 115.58 116.94 1cqe h ASN 557 Ca 0.28 -0.08 0.12 0.00 -0.55 0.00 0.00 56.30 56.07 1cqe h ASN 557 Cb 0.06 -0.03 -0.08 0.00 0.05 0.00 0.00 38.32 38.31 1cqe h ASN 557 CO -0.04 0.87 0.33 -0.07 -1.65 0.00 0.00 177.43 176.87 1cqe h LEU 558 N 0.04 0.36 0.49 1.61 3.38 -1.00 0.56 115.31 120.75 1cqe h LEU 558 Ca -0.02 0.09 -0.02 0.00 0.09 0.00 0.00 57.88 58.01 1cqe h LEU 558 Cb 1.43 0.04 0.00 0.00 0.09 0.00 0.00 40.66 42.23 1cqe h LEU 558 CO 0.11 0.17 -0.24 0.58 0.09 0.00 0.00 178.44 179.16 1cqe h VAL 559 N 0.51 0.27 0.00 1.22 2.07 -1.36 -2.12 116.25 116.84 1cqe h VAL 559 Ca 0.39 -0.50 0.00 0.00 0.82 0.00 0.00 66.70 67.41 1cqe h VAL 559 Cb 0.52 0.39 0.00 0.00 -1.52 0.00 0.00 31.29 30.68 1cqe h VAL 559 CO -0.35 0.05 0.18 0.11 0.02 0.00 0.00 177.57 177.59 1cqe h LYS 560 N -1.06 0.00 0.00 1.57 1.57 -0.11 -2.51 116.57 116.04 1cqe h LYS 560 Ca -0.07 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.71 1cqe h LYS 560 Cb 0.59 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.90 1cqe h LYS 560 CO 0.11 0.00 0.00 0.25 -0.57 0.00 0.00 179.45 179.24 1cqe n THR 561 N -2.83 0.84 -1.55 -0.16 -2.24 0.18 -5.04 114.28 103.47 1cqe n THR 561 Ca -0.02 -0.85 -0.44 0.00 -2.27 0.00 0.00 64.05 60.47 1cqe n THR 561 Cb 0.23 0.59 -0.01 0.00 -2.10 0.00 0.00 70.33 69.05 1cqe n THR 561 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1cqe n ALA 562 N -0.42 -0.57 -3.40 6.98 0.00 -0.80 -5.00 120.51 117.30 1cqe n ALA 562 Ca 0.00 0.32 -0.14 0.00 0.00 0.00 0.00 53.44 53.62 1cqe n ALA 562 Cb 0.27 -1.96 -0.08 0.00 0.00 0.00 0.00 19.45 17.68 1cqe n ALA 562 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.50 178.49 1cqe s THR 563 N -1.17 0.01 0.22 0.00 2.01 -1.26 -4.65 115.64 110.80 1cqe s THR 563 Ca 0.61 -0.09 -0.07 0.00 0.31 0.00 0.00 61.69 62.45 1cqe s THR 563 Cb -0.67 -0.75 0.17 0.00 0.01 0.00 0.00 72.50 71.27 1cqe s THR 563 CO 0.59 -0.05 1.78 0.25 -0.69 0.00 0.00 174.62 176.50 1cqe h LEU 564 N 4.66 0.49 -0.35 4.42 5.85 -1.94 0.49 115.31 128.93 1cqe h LEU 564 Ca -0.28 0.06 -0.01 0.00 0.84 0.00 0.00 57.88 58.49 1cqe h LEU 564 Cb 1.17 -0.03 -0.02 0.00 0.37 0.00 0.00 40.66 42.15 1cqe h LEU 564 CO 0.25 0.28 0.18 0.50 -0.34 0.00 0.00 178.44 179.32 1cqe h LYS 565 N 0.63 0.49 -0.65 1.25 3.64 -1.98 -2.02 116.57 117.93 1cqe h LYS 565 Ca 0.35 -0.07 -0.03 0.00 -1.27 0.00 0.00 60.65 59.63 1cqe h LYS 565 Cb 0.34 -0.09 -0.03 0.00 -0.41 0.00 0.00 32.23 32.04 1cqe h LYS 565 CO -0.26 0.43 0.31 0.87 -2.27 0.00 0.00 179.45 178.53 1cqe h LYS 566 N 0.43 0.95 -0.55 1.90 1.57 -1.83 0.39 116.57 119.43 1cqe h LYS 566 Ca 0.12 -0.14 0.07 0.00 -1.87 0.00 0.00 60.65 58.82 1cqe h LYS 566 Cb 0.09 -0.17 -0.06 0.00 0.08 0.00 0.00 32.23 32.18 1cqe h LYS 566 CO -0.02 0.76 0.23 1.25 -0.57 0.00 0.00 179.45 181.11 1cqe h LEU 567 N 0.91 0.28 0.10 2.94 5.85 -0.66 -0.00 115.31 124.73 1cqe h LEU 567 Ca 0.22 0.05 -0.00 0.00 0.84 0.00 0.00 57.88 58.99 1cqe h LEU 567 Cb 0.13 0.01 0.00 0.00 0.37 0.00 0.00 40.66 41.17 1cqe h LEU 567 CO -0.03 0.19 -0.05 0.58 -0.34 0.00 0.00 178.44 178.79 1cqe h VAL 568 N 0.44 0.00 -0.28 1.05 2.07 -1.06 -3.37 116.25 115.10 1cqe h VAL 568 Ca 0.26 -0.61 0.03 0.00 0.82 0.00 0.00 66.70 67.20 1cqe h VAL 568 Cb 0.25 0.00 -0.01 0.00 -1.52 0.00 0.00 31.29 30.01 1cqe h VAL 568 CO -0.23 0.00 0.19 0.00 0.02 0.00 0.00 177.57 177.55 1cqe n LEU 570 N -4.49 0.00 -0.04 0.00 4.77 -0.02 -3.03 117.00 114.19 1cqe n LEU 570 Ca 0.02 0.12 0.03 0.00 -0.03 0.00 0.00 56.01 56.16 1cqe n LEU 570 Cb 0.18 -0.12 0.05 0.00 -2.33 0.00 0.00 43.42 41.19 1cqe n LEU 570 CO 0.35 -0.02 0.50 0.59 -1.33 0.00 0.00 177.39 177.48 1cqe n ASN 571 N -1.12 1.90 -3.90 -1.43 3.02 0.17 -5.03 115.26 108.87 1cqe n ASN 571 Ca 0.17 -2.29 -0.15 0.00 -0.03 0.00 0.00 54.58 52.28 1cqe n ASN 571 Cb 0.14 -0.15 -0.15 0.00 -0.61 0.00 0.00 39.78 39.02 1cqe n ASN 571 CO 0.00 0.00 0.00 0.42 -2.62 0.00 0.00 177.26 175.06 1cqe s THR 572 N -1.51 0.22 0.43 3.41 -4.23 -1.06 -5.03 115.64 107.87 1cqe s THR 572 Ca 0.11 -0.09 0.27 0.00 -1.18 0.00 0.00 61.69 60.80 1cqe s THR 572 Cb 0.09 -0.21 0.47 0.00 1.34 0.00 0.00 72.50 74.19 1cqe s THR 572 CO 0.01 0.08 1.68 0.11 -0.54 0.00 0.00 174.62 175.96 1cqe h LYS 573 N 6.28 0.17 -4.82 3.99 1.79 -1.93 -3.41 116.57 118.64 1cqe h LYS 573 Ca -0.29 -0.01 -0.31 0.00 -2.18 0.00 0.00 60.65 57.86 1cqe h LYS 573 Cb 1.19 -0.04 -0.15 0.00 -1.58 0.00 0.00 32.23 31.65 1cqe h LYS 573 CO 0.50 0.11 -0.64 0.95 -1.08 0.00 0.00 179.45 179.30 1cqe s THR 574 N -5.33 0.56 -0.29 -0.16 -4.23 -1.26 -5.13 115.64 99.80 1cqe s THR 574 Ca -0.08 -1.99 0.00 0.00 -1.18 0.00 0.00 61.69 58.45 1cqe s THR 574 Cb 0.28 -2.39 0.06 0.00 1.34 0.00 0.00 72.50 71.79 1cqe s THR 574 CO 0.81 -0.22 -0.03 0.00 -0.54 0.00 0.00 174.62 174.64 1cqe n PRO 576 N 4.53 -1.28 -2.08 0.00 -0.04 -1.26 -4.95 135.00 129.92 1cqe n PRO 576 Ca -0.12 -2.06 -0.43 0.00 -0.04 0.00 0.00 63.50 60.85 1cqe n PRO 576 Cb 0.43 -1.35 -0.03 0.00 -0.04 0.00 0.00 33.50 32.51 1cqe n PRO 576 CO 0.00 0.00 0.00 -0.47 -0.04 0.00 0.00 175.50 174.99 1cqe s TYR 577 N -3.88 2.06 -0.16 0.54 5.04 -1.26 -4.95 117.35 114.73 1cqe s TYR 577 Ca 0.75 0.48 -0.00 0.00 -2.44 0.00 0.00 57.07 55.86 1cqe s TYR 577 Cb -0.02 -3.96 0.04 0.00 0.35 0.00 0.00 41.96 38.36 1cqe s TYR 577 CO 0.52 -3.13 -0.08 0.54 -1.34 0.00 0.00 175.55 172.06 1cqe s VAL 578 N 5.07 1.29 0.12 3.14 0.11 -1.26 -3.89 120.40 124.97 1cqe s VAL 578 Ca 0.73 -0.66 -0.26 0.00 -2.93 0.00 0.00 61.98 58.86 1cqe s VAL 578 Cb -0.27 -1.37 0.07 0.00 -1.53 0.00 0.00 36.38 33.28 1cqe s VAL 578 CO 0.29 0.23 0.89 -0.55 -3.33 0.00 0.00 175.10 172.63 1cqe s SER 579 N 1.57 -0.27 0.03 3.54 0.15 -1.26 -4.76 113.70 112.69 1cqe s SER 579 Ca 0.02 -0.26 0.23 0.00 0.70 0.00 0.00 55.95 56.64 1cqe s SER 579 Cb -0.15 0.48 0.14 0.00 -1.71 0.00 0.00 66.02 64.79 1cqe s SER 579 CO -0.08 -0.86 1.13 0.49 1.20 0.00 0.00 173.24 175.11 1cqe n PHE 580 N -0.39 0.14 -4.24 3.44 3.72 -1.26 -4.54 117.46 114.32 1cqe n PHE 580 Ca -0.08 0.04 -0.35 0.00 -0.05 0.00 0.00 57.45 57.01 1cqe n PHE 580 Cb 0.61 -0.30 -0.08 0.00 -0.94 0.00 0.00 39.48 38.77 1cqe n PHE 580 CO 0.00 0.00 0.00 -1.58 -0.05 0.00 0.00 176.76 175.13 1cqe s HIS 581 N -3.10 3.26 0.36 1.38 2.46 -1.26 -2.71 115.29 115.68 1cqe s HIS 581 Ca 0.07 0.26 -0.26 0.00 0.47 0.00 0.00 55.06 55.59 1cqe s HIS 581 Cb 0.16 -1.81 -0.09 0.00 -0.13 0.00 0.00 32.58 30.71 1cqe s HIS 581 CO 0.78 0.53 1.10 0.54 -2.47 0.00 0.00 174.74 175.23 1cqe s VAL 582 N -0.96 3.47 -0.95 0.89 0.11 0.17 -4.84 120.40 118.29 1cqe s VAL 582 Ca 0.15 1.27 0.00 0.00 -2.93 0.00 0.00 61.98 60.47 1cqe s VAL 582 Cb -0.12 -3.72 0.00 0.00 -1.53 0.00 0.00 36.38 31.01 1cqe s VAL 582 CO 0.04 0.14 0.24 -0.81 -3.33 0.00 0.00 175.10 171.39