#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3hac s ARG 40 N 0.00 3.63 1.01 1.09 1.70 -1.26 -5.05 118.95 120.07 3hac s ARG 40 Ca 0.00 0.58 -0.12 0.00 -0.47 0.00 0.00 55.73 55.72 3hac s ARG 40 Cb 0.00 -2.20 0.20 0.00 -0.57 0.00 0.00 34.95 32.38 3hac s ARG 40 CO 0.00 -0.39 1.08 -1.59 -1.08 0.00 0.00 175.30 173.32 3hac s LYS 41 N -4.84 0.31 0.45 3.89 -2.85 -1.23 -4.66 119.74 110.81 3hac s LYS 41 Ca 0.53 0.68 0.08 0.00 -1.00 0.00 0.00 55.97 56.26 3hac s LYS 41 Cb -0.11 -1.71 0.01 0.00 -2.06 0.00 0.00 37.83 33.96 3hac s LYS 41 CO 0.47 -2.85 0.48 0.95 0.10 0.00 0.00 175.35 174.50 3hac s THR 42 N -2.84 2.56 -0.43 3.79 -4.23 -1.26 -0.80 115.64 112.42 3hac s THR 42 Ca 0.66 -1.23 -0.25 0.00 -1.18 0.00 0.00 61.69 59.68 3hac s THR 42 Cb -0.20 -2.79 0.02 0.00 1.34 0.00 0.00 72.50 70.88 3hac s THR 42 CO 0.59 0.00 0.91 -0.47 -0.54 0.00 0.00 174.62 175.11 3hac s TYR 43 N -2.50 2.97 0.50 3.99 5.04 -1.26 -4.83 117.35 121.26 3hac s TYR 43 Ca 0.50 0.47 0.07 0.00 -2.44 0.00 0.00 57.07 55.68 3hac s TYR 43 Cb -0.05 -3.85 0.05 0.00 0.35 0.00 0.00 41.96 38.46 3hac s TYR 43 CO 0.30 -1.01 0.69 0.95 -1.34 0.00 0.00 175.55 175.14 3hac s THR 44 N 3.63 2.63 0.20 4.34 -4.23 -1.26 -3.90 115.64 117.05 3hac s THR 44 Ca 0.37 -0.93 -0.06 0.00 -1.18 0.00 0.00 61.69 59.88 3hac s THR 44 Cb -0.11 -2.69 0.05 0.00 1.34 0.00 0.00 72.50 71.09 3hac s THR 44 CO 0.24 0.00 1.64 0.25 -0.54 0.00 0.00 174.62 176.21 3hac h LEU 45 N 0.35 0.89 -0.70 4.79 5.85 -1.95 -2.42 115.31 122.11 3hac h LEU 45 Ca -0.37 -0.29 -0.02 0.00 0.84 0.00 0.00 57.88 58.04 3hac h LEU 45 Cb 1.28 -0.24 -0.03 0.00 0.37 0.00 0.00 40.66 42.04 3hac h LEU 45 CO 0.44 1.03 0.35 0.74 -0.34 0.00 0.00 178.44 180.66 3hac h THR 46 N 0.79 1.22 -0.61 1.05 2.02 -1.98 -0.53 112.91 114.88 3hac h THR 46 Ca 0.12 -0.60 0.09 0.00 0.77 0.00 0.00 66.41 66.79 3hac h THR 46 Cb 0.66 0.34 -0.07 0.00 -1.74 0.00 0.00 68.15 67.34 3hac h THR 46 CO 0.05 0.26 0.25 0.44 0.37 0.00 0.00 175.52 176.88 3hac h ASP 47 N 0.96 0.27 -0.11 4.18 3.45 -1.87 0.53 116.42 123.84 3hac h ASP 47 Ca 0.24 0.07 -0.01 0.00 0.43 0.00 0.00 57.03 57.76 3hac h ASP 47 Cb 0.09 0.04 -0.00 0.00 -0.56 0.00 0.00 39.33 38.89 3hac h ASP 47 CO -0.03 0.17 0.04 0.22 -1.57 0.00 0.00 179.24 178.06 3hac h TYR 48 N 0.45 0.17 -0.11 4.55 3.20 -1.07 -1.66 116.97 122.50 3hac h TYR 48 Ca 0.30 -0.02 -0.15 0.00 3.14 0.00 0.00 58.73 62.01 3hac h TYR 48 Cb 0.35 -0.05 -0.01 0.00 1.54 0.00 0.00 36.73 38.56 3hac h TYR 48 CO -0.15 0.29 -0.57 -0.07 -1.64 0.00 0.00 178.16 176.03 3hac h LEU 49 N 0.00 0.36 -2.62 2.82 3.38 -0.46 -3.05 115.31 115.74 3hac h LEU 49 Ca 0.04 -0.20 0.00 0.00 0.09 0.00 0.00 57.88 57.81 3hac h LEU 49 Cb 0.20 -0.10 0.00 0.00 0.09 0.00 0.00 40.66 40.85 3hac h LEU 49 CO -0.00 0.85 0.00 0.29 0.09 0.00 0.00 178.44 179.67 3hac n LYS 50 N -3.91 2.67 -3.88 1.13 4.76 0.18 -4.98 118.16 114.12 3hac n LYS 50 Ca -0.02 -2.57 -0.28 0.00 -2.87 0.00 0.00 58.31 52.56 3hac n LYS 50 Cb 0.60 -1.56 0.02 0.00 -1.84 0.00 0.00 35.03 32.25 3hac n LYS 50 CO 0.00 0.00 0.00 0.09 -1.37 0.00 0.00 177.40 176.12 3hac n ASN 51 N 1.63 -3.61 -0.36 4.39 3.02 -0.67 -4.86 115.26 114.80 3hac n ASN 51 Ca 0.23 -0.81 0.06 0.00 -0.03 0.00 0.00 54.58 54.03 3hac n ASN 51 Cb 0.62 -3.82 0.22 0.00 -0.61 0.00 0.00 39.78 36.19 3hac n ASN 51 CO 0.00 0.00 0.00 0.74 -2.62 0.00 0.00 177.26 175.38 3hac h THR 52 N -2.00 0.95 -3.50 3.41 2.02 -1.73 -3.36 112.91 108.70 3hac h THR 52 Ca -0.59 -0.35 -0.70 0.00 0.77 0.00 0.00 66.41 65.54 3hac h THR 52 Cb 1.37 -0.15 -0.31 0.00 -1.74 0.00 0.00 68.15 67.32 3hac h THR 52 CO 0.65 0.18 -0.53 -0.31 0.37 0.00 0.00 175.52 175.89 3hac s TYR 53 N -5.98 3.42 -0.19 3.16 2.02 -1.26 -5.07 117.35 113.45 3hac s TYR 53 Ca -0.12 -1.93 -0.09 0.00 -0.37 0.00 0.00 57.07 54.56 3hac s TYR 53 Cb 0.22 -2.96 -0.05 0.00 -0.40 0.00 0.00 41.96 38.77 3hac s TYR 53 CO 0.81 -0.90 0.11 1.03 -1.57 0.00 0.00 175.55 175.03 3hac s ARG 54 N 1.29 4.11 0.07 -0.62 0.52 -1.26 -5.06 118.95 118.00 3hac s ARG 54 Ca 0.04 -0.26 -0.31 0.00 -0.52 0.00 0.00 55.73 54.68 3hac s ARG 54 Cb -0.23 -3.35 -0.06 0.00 0.52 0.00 0.00 34.95 31.83 3hac s ARG 54 CO -0.01 0.30 1.29 -0.51 0.02 0.00 0.00 175.30 176.39 3hac s LEU 55 N 0.35 4.36 0.19 2.53 1.02 -1.26 -4.77 118.68 121.10 3hac s LEU 55 Ca 0.06 2.13 -0.16 0.00 0.02 0.00 0.00 54.13 56.19 3hac s LEU 55 Cb -0.11 -3.58 -0.07 0.00 0.02 0.00 0.00 46.19 42.44 3hac s LEU 55 CO -0.01 -0.57 0.61 -0.54 0.02 0.00 0.00 176.35 175.86 3hac s LYS 56 N 1.29 4.05 0.50 1.70 1.02 -1.26 -5.10 119.74 121.94 3hac s LYS 56 Ca 0.61 0.60 0.04 0.00 0.02 0.00 0.00 55.97 57.24 3hac s LYS 56 Cb -0.32 -2.86 -0.01 0.00 -0.52 0.00 0.00 37.83 34.12 3hac s LYS 56 CO 0.29 0.42 0.14 -0.51 -0.92 0.00 0.00 175.35 174.77 3hac s LEU 57 N -2.10 2.58 -0.40 3.17 1.02 -1.26 -4.89 118.68 116.80 3hac s LEU 57 Ca 0.41 -1.43 0.03 0.00 0.02 0.00 0.00 54.13 53.16 3hac s LEU 57 Cb -0.15 -0.98 0.16 0.00 0.02 0.00 0.00 46.19 45.25 3hac s LEU 57 CO 0.20 -0.84 0.38 -0.47 0.02 0.00 0.00 176.35 175.64 3hac s TYR 58 N -2.79 0.20 -0.50 0.29 5.04 -1.26 -4.95 117.35 113.37 3hac s TYR 58 Ca 0.21 -1.48 -0.22 0.00 -2.44 0.00 0.00 57.07 53.15 3hac s TYR 58 Cb 0.02 -0.58 0.04 0.00 0.35 0.00 0.00 41.96 41.79 3hac s TYR 58 CO 0.12 -0.94 0.77 -1.12 -1.34 0.00 0.00 175.55 173.05 3hac s SER 59 N 0.79 6.31 0.33 4.32 0.01 -1.26 -5.04 113.70 119.17 3hac s SER 59 Ca 0.25 -0.48 0.08 0.00 1.31 0.00 0.00 55.95 57.11 3hac s SER 59 Cb -0.08 -2.37 -0.04 0.00 0.21 0.00 0.00 66.02 63.75 3hac s SER 59 CO -0.08 -1.01 0.17 -1.48 0.41 0.00 0.00 173.24 171.25 3hac s LEU 60 N 3.27 3.37 -0.21 2.44 0.05 -1.26 -4.62 118.68 121.71 3hac s LEU 60 Ca 0.24 -0.67 -0.02 0.00 0.05 0.00 0.00 54.13 53.74 3hac s LEU 60 Cb -0.15 -1.88 0.06 0.00 -2.05 0.00 0.00 46.19 42.17 3hac s LEU 60 CO 0.18 -0.27 0.01 -0.13 -0.55 0.00 0.00 176.35 175.58 3hac s ARG 61 N -3.87 0.98 0.20 1.48 0.52 -0.48 -4.95 118.95 112.84 3hac s ARG 61 Ca 0.38 -0.64 -0.31 0.00 -0.52 0.00 0.00 55.73 54.64 3hac s ARG 61 Cb -0.04 -2.27 -0.10 0.00 0.52 0.00 0.00 34.95 33.06 3hac s ARG 61 CO 0.23 -0.64 1.46 -1.58 0.02 0.00 0.00 175.30 174.79 3hac s TRP 62 N 1.69 3.09 -0.46 -0.53 0.52 -1.26 -0.05 118.94 121.94 3hac s TRP 62 Ca -0.02 0.92 0.05 0.00 0.02 0.00 0.00 56.10 57.06 3hac s TRP 62 Cb -0.18 -3.81 0.00 0.00 -1.15 0.00 0.00 33.47 28.34 3hac s TRP 62 CO -0.08 -2.76 0.46 0.44 0.02 0.00 0.00 176.95 175.04 3hac n ILE 63 N 3.10 0.00 -3.09 2.03 -5.35 -0.70 -4.91 119.36 110.43 3hac n ILE 63 Ca 0.09 -0.45 0.00 0.00 -0.27 0.00 0.00 62.75 62.12 3hac n ILE 63 Cb 0.40 1.06 0.00 0.00 -1.74 0.00 0.00 39.64 39.36 3hac n ILE 63 CO 0.00 0.00 0.00 -1.54 -1.76 0.00 0.00 176.55 173.25 3hac n SER 64 N -0.30 0.00 0.03 7.28 3.41 -1.19 -4.97 113.62 117.87 3hac n SER 64 Ca 0.02 -0.83 0.13 0.00 -0.26 0.00 0.00 58.87 57.93 3hac n SER 64 Cb 0.10 0.00 0.52 0.00 -0.26 0.00 0.00 64.21 64.57 3hac n SER 64 CO 0.00 0.00 0.00 -0.90 -0.16 0.00 0.00 175.04 173.98 3hac n ASP 65 N -0.61 0.22 0.00 4.04 5.75 -1.26 -1.68 116.55 123.01 3hac n ASP 65 Ca 0.00 0.53 0.00 0.00 -0.01 0.00 0.00 54.79 55.31 3hac n ASP 65 Cb 0.00 -0.58 0.00 0.00 -1.03 0.00 0.00 41.12 39.51 3hac n ASP 65 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 3hac n HIS 66 N -1.71 0.00 -3.95 2.11 1.44 -1.26 -4.47 115.22 107.38 3hac n HIS 66 Ca 0.06 0.00 -0.09 0.00 -2.01 0.00 0.00 57.72 55.67 3hac n HIS 66 Cb 0.33 0.00 -0.11 0.00 0.12 0.00 0.00 29.99 30.33 3hac n HIS 66 CO 0.00 0.00 0.00 -1.21 -2.81 0.00 0.00 176.34 172.32 3hac s GLU 67 N -0.30 0.39 0.07 -1.40 2.02 -1.26 -1.02 118.70 117.19 3hac s GLU 67 Ca 0.00 -0.59 -0.00 0.00 0.02 0.00 0.00 54.97 54.39 3hac s GLU 67 Cb 0.00 0.15 -0.04 0.00 0.10 0.00 0.00 34.13 34.34 3hac s GLU 67 CO 0.00 -0.08 -0.04 1.52 0.02 0.00 0.00 175.26 176.68 3hac s TYR 68 N -1.63 0.64 -0.10 1.61 -0.85 -0.74 -1.72 117.35 114.56 3hac s TYR 68 Ca -0.14 -1.02 -0.06 0.00 -0.52 0.00 0.00 57.07 55.33 3hac s TYR 68 Cb -0.08 -0.43 -0.04 0.00 0.38 0.00 0.00 41.96 41.79 3hac s TYR 68 CO -0.01 -0.31 0.13 -0.51 -1.52 0.00 0.00 175.55 173.33 3hac s LEU 69 N -2.96 4.27 -0.11 -3.49 1.43 0.93 -0.52 118.68 118.23 3hac s LEU 69 Ca 0.09 0.40 -0.04 0.00 -1.03 0.00 0.00 54.13 53.54 3hac s LEU 69 Cb 0.07 -2.12 0.05 0.00 0.03 0.00 0.00 46.19 44.23 3hac s LEU 69 CO -0.08 0.38 0.23 -0.47 0.23 0.00 0.00 176.35 176.63 3hac s TYR 70 N -1.06 -0.32 -0.25 0.29 5.04 -0.34 -1.38 117.35 119.33 3hac s TYR 70 Ca 0.17 0.81 -0.26 0.00 -2.44 0.00 0.00 57.07 55.34 3hac s TYR 70 Cb -0.12 -0.07 0.00 0.00 0.35 0.00 0.00 41.96 42.12 3hac s TYR 70 CO 0.06 -0.29 0.92 0.21 -1.34 0.00 0.00 175.55 175.11 3hac s LYS 71 N 2.02 4.18 -0.07 4.97 2.20 -1.26 -0.81 119.74 130.97 3hac s LYS 71 Ca -0.02 1.06 -0.01 0.00 -0.36 0.00 0.00 55.97 56.65 3hac s LYS 71 Cb -0.12 -3.66 0.03 0.00 -1.51 0.00 0.00 37.83 32.57 3hac s LYS 71 CO -0.08 -0.61 -0.01 -1.14 -0.36 0.00 0.00 175.35 173.16 3hac s GLN 72 N 3.05 0.68 -1.40 4.03 0.74 0.75 -4.81 119.66 122.70 3hac s GLN 72 Ca 0.39 0.05 -0.10 0.00 0.05 0.00 0.00 55.36 55.75 3hac s GLN 72 Cb -0.15 -0.97 0.02 0.00 1.10 0.00 0.00 33.01 33.02 3hac s GLN 72 CO 0.08 -0.26 1.12 0.39 -0.55 0.00 0.00 175.29 176.07 3hac n GLU 73 N 4.93 -7.37 -0.67 1.67 1.02 -1.26 -1.41 120.64 117.55 3hac n GLU 73 Ca -0.11 0.79 0.00 0.00 -0.02 0.00 0.00 57.16 57.82 3hac n GLU 73 Cb 0.50 -5.81 0.00 0.00 -0.02 0.00 0.00 31.44 26.11 3hac n GLU 73 CO 0.00 0.00 0.00 0.09 1.18 0.00 0.00 177.13 178.40 3hac n ASN 74 N -2.95 -0.58 -4.80 1.62 3.02 -1.26 -4.85 115.26 105.45 3hac n ASN 74 Ca 0.01 0.00 -0.37 0.00 -0.03 0.00 0.00 54.58 54.19 3hac n ASN 74 Cb 0.56 -1.95 -0.07 0.00 -0.61 0.00 0.00 39.78 37.71 3hac n ASN 74 CO 0.00 0.00 0.00 0.20 -2.62 0.00 0.00 177.26 174.84 3hac s ASN 75 N -2.23 6.48 -0.22 6.41 0.01 -0.50 -3.89 114.94 121.00 3hac s ASN 75 Ca 0.00 0.57 -0.22 0.00 -0.71 0.00 0.00 52.86 52.49 3hac s ASN 75 Cb 0.00 -2.15 -0.02 0.00 0.41 0.00 0.00 41.25 39.49 3hac s ASN 75 CO 0.00 0.26 0.72 -0.63 -1.51 0.00 0.00 177.10 175.94 3hac s ILE 76 N -0.39 4.93 0.15 0.60 1.01 -0.37 -0.18 121.20 126.96 3hac s ILE 76 Ca 0.17 1.36 0.06 0.00 0.00 0.00 0.00 60.65 62.24 3hac s ILE 76 Cb -0.13 -4.02 -0.04 0.00 0.01 0.00 0.00 42.46 38.27 3hac s ILE 76 CO 0.05 0.02 0.01 -0.76 0.00 0.00 0.00 174.94 174.26 3hac s LEU 77 N 2.40 3.39 -0.14 2.97 1.43 0.01 0.11 118.68 128.86 3hac s LEU 77 Ca 0.31 -0.32 -0.01 0.00 -1.03 0.00 0.00 54.13 53.09 3hac s LEU 77 Cb -0.16 -2.06 -0.02 0.00 0.03 0.00 0.00 46.19 43.98 3hac s LEU 77 CO 0.09 0.11 -0.10 -0.69 0.23 0.00 0.00 176.35 175.99 3hac s VAL 78 N -1.62 3.28 -0.08 -1.59 1.01 -0.38 -1.20 120.40 119.82 3hac s VAL 78 Ca 0.27 -0.58 -0.01 0.00 0.00 0.00 0.00 61.98 61.67 3hac s VAL 78 Cb -0.10 -2.40 -0.03 0.00 0.00 0.00 0.00 36.38 33.85 3hac s VAL 78 CO 0.19 0.51 -0.03 -0.36 0.00 0.00 0.00 175.10 175.42 3hac s PHE 79 N 0.37 3.07 -0.22 5.22 0.08 0.32 -1.97 117.98 124.86 3hac s PHE 79 Ca -0.09 0.11 -0.26 0.00 0.12 0.00 0.00 56.93 56.81 3hac s PHE 79 Cb -0.15 -1.76 -0.00 0.00 -0.57 0.00 0.00 43.02 40.53 3hac s PHE 79 CO 0.05 0.40 0.89 1.21 -0.10 0.00 0.00 175.22 177.66 3hac s ASN 80 N -0.81 6.95 0.14 1.36 3.84 -0.29 -1.80 114.94 124.33 3hac s ASN 80 Ca 0.12 1.18 -0.14 0.00 0.21 0.00 0.00 52.86 54.23 3hac s ASN 80 Cb -0.11 -2.47 0.00 0.00 -0.55 0.00 0.00 41.25 38.12 3hac s ASN 80 CO 0.02 -0.52 1.60 0.00 -2.79 0.00 0.00 177.10 175.40 3hac h ALA 81 N 7.51 0.60 -0.51 1.71 0.00 -1.40 0.29 119.26 127.45 3hac h ALA 81 Ca -0.24 -0.26 0.00 0.00 0.00 0.00 0.00 54.91 54.42 3hac h ALA 81 Cb 1.10 -0.17 -0.03 0.00 0.00 0.00 0.00 17.79 18.69 3hac h ALA 81 CO 0.89 0.37 0.33 1.49 0.00 0.00 0.00 179.25 182.33 3hac h GLU 82 N 0.62 0.68 0.00 0.00 4.57 -1.94 -3.33 114.58 115.18 3hac h GLU 82 Ca 0.13 -0.05 -0.02 0.00 -1.18 0.00 0.00 59.36 58.24 3hac h GLU 82 Cb 0.46 -0.15 -0.00 0.00 -0.16 0.00 0.00 28.75 28.89 3hac h GLU 82 CO 0.02 0.47 -1.52 0.66 -1.18 0.00 0.00 179.01 177.46 3hac n TYR 83 N -4.71 0.00 -0.90 0.92 4.02 -1.22 -5.02 117.16 110.25 3hac n TYR 83 Ca 0.03 0.00 0.00 0.00 -0.01 0.00 0.00 57.90 57.92 3hac n TYR 83 Cb 0.03 -0.28 0.00 0.00 -0.02 0.00 0.00 39.34 39.08 3hac n TYR 83 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 3hac n GLY 84 N 1.95 0.85 3.77 2.72 0.00 0.10 -5.04 105.19 109.53 3hac n GLY 84 Ca -0.04 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.65 3hac n GLY 84 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3hac s ASN 85 N -2.75 5.03 0.24 1.61 4.22 -1.26 -4.78 114.94 117.26 3hac s ASN 85 Ca 0.00 2.04 0.01 0.00 -2.14 0.00 0.00 52.86 52.77 3hac s ASN 85 Cb 0.00 -2.56 -0.04 0.00 1.28 0.00 0.00 41.25 39.93 3hac s ASN 85 CO 0.00 -1.68 0.15 -0.94 -2.04 0.00 0.00 177.10 172.59 3hac s SER 86 N -2.50 0.64 0.06 3.54 1.04 -1.26 -1.14 113.70 114.09 3hac s SER 86 Ca 0.68 -1.47 -0.04 0.00 0.48 0.00 0.00 55.95 55.60 3hac s SER 86 Cb -0.21 0.39 -0.02 0.00 0.10 0.00 0.00 66.02 66.27 3hac s SER 86 CO 0.41 -0.87 0.06 -0.44 0.98 0.00 0.00 173.24 173.39 3hac s SER 87 N -3.23 0.33 -0.13 7.02 0.01 -0.83 -4.99 113.70 111.87 3hac s SER 87 Ca 0.39 -0.84 -0.29 0.00 1.31 0.00 0.00 55.95 56.52 3hac s SER 87 Cb 0.06 0.26 -0.01 0.00 0.21 0.00 0.00 66.02 66.53 3hac s SER 87 CO 0.15 -0.65 1.15 -0.69 0.41 0.00 0.00 173.24 173.62 3hac s VAL 88 N -3.82 4.45 -0.09 3.43 1.01 -1.26 -1.24 120.40 122.87 3hac s VAL 88 Ca 0.05 1.75 -0.14 0.00 0.00 0.00 0.00 61.98 63.64 3hac s VAL 88 Cb 0.06 -4.13 -0.28 0.00 0.00 0.00 0.00 36.38 32.04 3hac s VAL 88 CO -0.10 -0.08 0.57 0.15 0.00 0.00 0.00 175.10 175.64 3hac h PHE 89 N 7.61 0.50 -2.44 5.22 3.04 -0.63 -3.46 116.94 126.79 3hac h PHE 89 Ca -0.28 -0.37 -0.07 0.00 3.98 0.00 0.00 57.97 61.23 3hac h PHE 89 Cb 1.12 -0.02 -0.26 0.00 2.56 0.00 0.00 35.95 39.35 3hac h PHE 89 CO 0.75 1.59 -0.33 -1.17 -2.02 0.00 0.00 178.31 177.13 3hac s LEU 90 N -7.48 -0.69 0.36 0.59 2.96 -0.66 -5.01 118.68 108.74 3hac s LEU 90 Ca -0.19 1.08 -0.28 0.00 -0.22 0.00 0.00 54.13 54.52 3hac s LEU 90 Cb 0.05 1.50 -0.10 0.00 0.50 0.00 0.00 46.19 48.14 3hac s LEU 90 CO 0.78 -0.23 1.27 -1.61 -1.32 0.00 0.00 176.35 175.25 3hac s GLU 91 N 2.58 4.23 0.38 1.98 2.02 -1.26 -1.23 118.70 127.40 3hac s GLU 91 Ca -0.03 2.12 0.12 0.00 0.02 0.00 0.00 54.97 57.20 3hac s GLU 91 Cb -0.12 -2.94 0.90 0.00 0.10 0.00 0.00 34.13 32.07 3hac s GLU 91 CO -0.14 -0.26 1.87 -2.95 0.02 0.00 0.00 175.26 173.80 3hac h ASN 92 N 3.12 0.57 0.16 -0.19 -1.07 -1.89 -2.61 115.58 113.67 3hac h ASN 92 Ca -0.49 0.04 0.00 0.00 0.07 0.00 0.00 56.30 55.92 3hac h ASN 92 Cb 1.23 -0.07 0.00 0.00 -2.07 0.00 0.00 38.32 37.41 3hac h ASN 92 CO 0.64 0.27 -0.00 -1.54 0.07 0.00 0.00 177.43 176.87 3hac n SER 93 N -4.55 0.07 0.06 6.14 3.41 -1.26 -3.80 113.62 113.69 3hac n SER 93 Ca 0.18 -0.79 0.04 0.00 -0.26 0.00 0.00 58.87 58.04 3hac n SER 93 Cb 0.54 -0.07 0.45 0.00 -0.26 0.00 0.00 64.21 64.86 3hac n SER 93 CO 0.00 0.00 0.00 0.74 -0.16 0.00 0.00 175.04 175.62 3hac h THR 94 N 0.11 1.10 -0.63 6.66 2.02 -1.86 -2.86 112.91 117.45 3hac h THR 94 Ca 0.00 -0.28 -0.41 0.00 0.77 0.00 0.00 66.41 66.49 3hac h THR 94 Cb 0.10 0.72 -0.26 0.00 -1.74 0.00 0.00 68.15 66.97 3hac h THR 94 CO 0.00 0.11 -0.12 0.49 0.37 0.00 0.00 175.52 176.37 3hac n PHE 95 N -4.45 2.11 -0.30 3.16 3.72 -1.25 -4.70 117.46 115.76 3hac n PHE 95 Ca 0.01 -2.11 -0.05 0.00 -0.05 0.00 0.00 57.45 55.26 3hac n PHE 95 Cb 0.11 -0.65 0.07 0.00 -0.94 0.00 0.00 39.48 38.07 3hac n PHE 95 CO 0.00 0.00 0.00 -0.44 -0.05 0.00 0.00 176.76 176.27 3hac h ASP 96 N 1.59 0.99 -0.49 4.37 3.32 -1.74 -2.78 116.42 121.67 3hac h ASP 96 Ca 0.36 -0.08 0.00 0.00 0.02 0.00 0.00 57.03 57.33 3hac h ASP 96 Cb 1.47 -0.25 0.00 0.00 0.22 0.00 0.00 39.33 40.77 3hac h ASP 96 CO 0.77 0.78 0.00 -0.62 -1.72 0.00 0.00 179.24 178.45 3hac n GLU 97 N -4.44 2.24 -0.36 3.56 4.71 -1.26 -4.57 120.64 120.52 3hac n GLU 97 Ca 0.08 -1.92 0.07 0.00 -0.01 0.00 0.00 57.16 55.38 3hac n GLU 97 Cb 0.07 -1.43 0.23 0.00 -1.01 0.00 0.00 31.44 29.30 3hac n GLU 97 CO 0.00 0.00 0.00 0.35 0.09 0.00 0.00 177.13 177.57 3hac h PHE 98 N 3.25 1.14 0.00 -0.32 3.57 -1.83 -3.46 116.94 119.29 3hac h PHE 98 Ca 0.00 0.03 0.00 0.00 3.53 0.00 0.00 57.97 61.53 3hac h PHE 98 Cb 0.74 -0.36 0.00 0.00 2.79 0.00 0.00 35.95 39.12 3hac h PHE 98 CO 0.33 0.46 0.00 0.41 -2.23 0.00 0.00 178.31 177.27 3hac n GLY 99 N -1.35 1.09 3.30 2.40 0.00 -1.26 -5.03 105.19 104.34 3hac n GLY 99 Ca 0.18 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.96 3hac n GLY 99 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 3hac s HIS 100 N -2.29 1.85 -0.18 1.61 3.76 -1.26 -5.10 115.29 113.68 3hac s HIS 100 Ca 0.00 -0.42 -0.29 0.00 -0.15 0.00 0.00 55.06 54.20 3hac s HIS 100 Cb 0.00 -1.00 -0.01 0.00 1.11 0.00 0.00 32.58 32.68 3hac s HIS 100 CO 0.00 0.23 1.26 0.45 -0.85 0.00 0.00 174.74 175.84 3hac s SER 101 N -2.01 6.92 -0.15 1.40 0.15 -1.26 -5.00 113.70 113.76 3hac s SER 101 Ca 0.08 1.65 -0.26 0.00 0.70 0.00 0.00 55.95 58.12 3hac s SER 101 Cb -0.10 -2.54 -0.01 0.00 -1.71 0.00 0.00 66.02 61.66 3hac s SER 101 CO 0.05 -0.79 0.88 -0.63 1.20 0.00 0.00 173.24 173.95 3hac s ILE 102 N 3.57 4.85 0.04 6.45 1.01 -1.26 -4.39 121.20 131.46 3hac s ILE 102 Ca 0.55 1.75 -0.16 0.00 0.00 0.00 0.00 60.65 62.78 3hac s ILE 102 Cb -0.21 -4.19 -0.33 0.00 0.01 0.00 0.00 42.46 37.74 3hac s ILE 102 CO 0.15 0.02 1.04 -1.13 0.00 0.00 0.00 174.94 175.02 3hac h ASN 103 N 7.26 0.85 -5.32 3.58 -1.24 -0.01 -3.49 115.58 117.21 3hac h ASN 103 Ca -0.30 -0.88 0.17 0.00 0.71 0.00 0.00 56.30 56.01 3hac h ASN 103 Cb 1.13 -0.27 -0.08 0.00 0.73 0.00 0.00 38.32 39.83 3hac h ASN 103 CO 0.85 1.66 0.48 -0.62 -1.29 0.00 0.00 177.43 178.50 3hac s ASP 104 N -7.49 -0.17 0.04 1.15 -1.08 -1.16 -5.02 116.67 102.94 3hac s ASP 104 Ca -0.09 -0.42 -0.03 0.00 -0.52 0.00 0.00 52.55 51.49 3hac s ASP 104 Cb 0.04 0.50 -0.03 0.00 -1.46 0.00 0.00 42.92 41.98 3hac s ASP 104 CO 0.94 -0.92 0.02 -0.72 0.52 0.00 0.00 175.17 175.00 3hac s TYR 105 N -3.29 0.36 -0.19 -5.34 1.13 -1.26 -0.90 117.35 107.86 3hac s TYR 105 Ca 0.12 -0.79 -0.04 0.00 -1.41 0.00 0.00 57.07 54.95 3hac s TYR 105 Cb -0.02 -0.26 0.09 0.00 -1.10 0.00 0.00 41.96 40.67 3hac s TYR 105 CO 0.03 -0.36 0.30 0.45 -2.51 0.00 0.00 175.55 173.46 3hac s SER 106 N -2.46 0.56 0.04 -0.18 0.15 -0.47 -4.97 113.70 106.38 3hac s SER 106 Ca -0.00 0.30 -0.27 0.00 0.70 0.00 0.00 55.95 56.67 3hac s SER 106 Cb 0.02 0.78 -0.05 0.00 -1.71 0.00 0.00 66.02 65.07 3hac s SER 106 CO -0.07 -0.28 0.85 -0.63 1.20 0.00 0.00 173.24 174.30 3hac s ILE 107 N 2.45 4.74 0.60 6.45 1.01 -1.26 -0.49 121.20 134.69 3hac s ILE 107 Ca 0.06 1.79 -0.20 0.00 0.00 0.00 0.00 60.65 62.31 3hac s ILE 107 Cb -0.14 -4.19 -0.04 0.00 0.01 0.00 0.00 42.46 38.10 3hac s ILE 107 CO -0.12 0.30 1.23 -1.54 0.00 0.00 0.00 174.94 174.81 3hac n SER 108 N 3.13 1.95 -0.02 3.58 3.41 0.45 -4.87 113.62 121.25 3hac n SER 108 Ca 0.00 0.88 0.18 0.00 -0.26 0.00 0.00 58.87 59.67 3hac n SER 108 Cb 0.50 -1.52 0.64 0.00 -0.26 0.00 0.00 64.21 63.57 3hac n SER 108 CO 0.00 0.00 0.00 -0.65 -0.16 0.00 0.00 175.04 174.23 3hac h PRO 109 N 0.86 0.11 -0.01 4.33 0.11 -1.81 0.13 132.00 135.72 3hac h PRO 109 Ca -0.50 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.60 3hac h PRO 109 Cb 1.33 -0.02 0.00 0.00 0.11 0.00 0.00 31.00 32.42 3hac h PRO 109 CO 0.54 0.07 -0.02 -0.40 -0.21 0.00 0.00 178.00 177.98 3hac n ASP 110 N -4.41 0.74 0.00 -2.05 3.85 -1.15 -4.84 116.55 108.68 3hac n ASP 110 Ca 0.10 -1.15 0.00 0.00 -0.71 0.00 0.00 54.79 53.03 3hac n ASP 110 Cb 0.53 -0.01 0.00 0.00 -1.35 0.00 0.00 41.12 40.29 3hac n ASP 110 CO 0.00 0.00 0.00 0.61 -1.01 0.00 0.00 177.20 176.80 3hac n GLY 111 N 1.13 0.65 0.15 6.12 0.00 0.45 -4.90 105.19 108.77 3hac n GLY 111 Ca 0.20 0.00 0.06 0.00 0.00 0.00 0.00 46.02 46.28 3hac n GLY 111 CO 0.00 0.00 0.00 1.46 0.00 0.00 0.00 173.32 174.78 3hac h GLN 112 N 1.73 0.00 -4.43 1.61 4.20 -1.92 -3.46 115.11 112.85 3hac h GLN 112 Ca 0.00 0.00 -0.21 0.00 0.06 0.00 0.00 58.65 58.50 3hac h GLN 112 Cb 0.07 0.00 -0.18 0.00 0.30 0.00 0.00 27.48 27.67 3hac h GLN 112 CO 0.00 0.27 -0.71 -0.06 -0.67 0.00 0.00 178.83 177.67 3hac s PHE 113 N -3.07 0.64 -0.08 2.96 0.08 -1.26 -0.80 117.98 116.44 3hac s PHE 113 Ca 0.03 -0.75 0.01 0.00 0.12 0.00 0.00 56.93 56.34 3hac s PHE 113 Cb 0.07 -0.40 0.02 0.00 -0.57 0.00 0.00 43.02 42.14 3hac s PHE 113 CO 0.74 -0.18 -0.11 -1.50 -0.10 0.00 0.00 175.22 174.08 3hac s ILE 114 N -2.63 1.09 -0.16 0.64 2.07 -0.58 -0.41 121.20 121.21 3hac s ILE 114 Ca -0.01 -0.41 -0.23 0.00 -1.41 0.00 0.00 60.65 58.59 3hac s ILE 114 Cb -0.01 -1.03 -0.02 0.00 0.13 0.00 0.00 42.46 41.52 3hac s ILE 114 CO -0.04 0.36 0.72 -0.22 -1.91 0.00 0.00 174.94 173.85 3hac s LEU 115 N 1.02 4.19 -0.30 8.50 2.96 0.36 -0.97 118.68 134.44 3hac s LEU 115 Ca -0.08 1.04 -0.07 0.00 -0.22 0.00 0.00 54.13 54.80 3hac s LEU 115 Cb -0.15 -3.06 0.01 0.00 0.50 0.00 0.00 46.19 43.49 3hac s LEU 115 CO -0.00 -0.29 0.09 -0.76 -1.32 0.00 0.00 176.35 174.07 3hac s LEU 116 N 1.76 3.86 -0.20 -0.68 1.02 0.22 -1.37 118.68 123.29 3hac s LEU 116 Ca 0.34 -0.67 -0.14 0.00 0.02 0.00 0.00 54.13 53.69 3hac s LEU 116 Cb -0.16 -1.90 -0.04 0.00 0.02 0.00 0.00 46.19 44.11 3hac s LEU 116 CO 0.13 -0.19 0.31 -0.70 0.02 0.00 0.00 176.35 175.92 3hac s GLU 117 N 1.52 4.16 0.32 1.70 2.12 -0.08 -1.54 118.70 126.90 3hac s GLU 117 Ca 0.03 0.05 -0.05 0.00 0.36 0.00 0.00 54.97 55.36 3hac s GLU 117 Cb -0.17 -3.52 0.00 0.00 0.26 0.00 0.00 34.13 30.71 3hac s GLU 117 CO 0.03 0.04 0.48 1.52 -0.54 0.00 0.00 175.26 176.79 3hac s TYR 118 N 1.08 0.86 -1.51 5.30 1.13 -0.63 0.78 117.35 124.36 3hac s TYR 118 Ca 0.15 -1.15 -0.11 0.00 -1.41 0.00 0.00 57.07 54.55 3hac s TYR 118 Cb -0.14 0.01 0.08 0.00 -1.10 0.00 0.00 41.96 40.81 3hac s TYR 118 CO 0.06 -1.11 0.85 0.09 -2.51 0.00 0.00 175.55 172.93 3hac n ASN 119 N -1.14 -3.54 -4.72 -0.18 3.02 -1.26 -0.10 115.26 107.33 3hac n ASN 119 Ca -0.00 -0.84 -0.42 0.00 -0.03 0.00 0.00 54.58 53.28 3hac n ASN 119 Cb 0.62 -3.65 -0.03 0.00 -0.61 0.00 0.00 39.78 36.10 3hac n ASN 119 CO 0.00 0.00 0.00 -0.47 -2.62 0.00 0.00 177.26 174.17 3hac s TYR 120 N -3.42 2.97 -0.19 3.10 5.04 -1.26 -4.26 117.35 119.33 3hac s TYR 120 Ca 0.51 0.53 -0.02 0.00 -2.44 0.00 0.00 57.07 55.65 3hac s TYR 120 Cb -0.26 -3.98 0.05 0.00 0.35 0.00 0.00 41.96 38.13 3hac s TYR 120 CO 0.85 -3.67 0.01 0.08 -1.34 0.00 0.00 175.55 171.48 3hac s VAL 121 N 1.27 0.72 0.38 3.14 1.01 -0.43 -5.02 120.40 121.47 3hac s VAL 121 Ca 0.72 -0.60 -0.28 0.00 0.00 0.00 0.00 61.98 61.82 3hac s VAL 121 Cb -0.45 -1.12 -0.10 0.00 0.00 0.00 0.00 36.38 34.71 3hac s VAL 121 CO 0.32 -0.11 1.41 -0.75 0.00 0.00 0.00 175.10 175.97 3hac s LYS 122 N 1.78 4.10 0.00 2.72 2.20 -1.26 -1.72 119.74 127.56 3hac s LYS 122 Ca -0.01 2.42 0.00 0.00 -0.36 0.00 0.00 55.97 58.02 3hac s LYS 122 Cb -0.17 -2.93 0.00 0.00 -1.51 0.00 0.00 37.83 33.22 3hac s LYS 122 CO -0.07 -0.48 0.00 0.94 -0.36 0.00 0.00 175.35 175.38 3hac n GLN 123 N 0.43 0.00 0.00 4.03 7.27 0.39 -4.87 117.38 124.62 3hac n GLN 123 Ca 0.01 0.00 0.00 0.00 0.07 0.00 0.00 57.00 57.08 3hac n GLN 123 Cb 0.41 0.00 0.00 0.00 2.41 0.00 0.00 30.24 33.06 3hac n GLN 123 CO 0.00 0.00 0.00 0.91 0.07 0.00 0.00 177.06 178.04 3hac n TRP 124 N 0.00 0.00 -0.25 3.69 5.03 -1.15 -4.92 117.44 119.84 3hac n TRP 124 Ca 0.00 0.00 -0.07 0.00 3.03 0.00 0.00 57.50 60.46 3hac n TRP 124 Cb 0.00 0.00 0.04 0.00 -1.03 0.00 0.00 31.31 30.32 3hac n TRP 124 CO 0.00 0.00 0.00 -0.09 -0.03 0.00 0.00 177.69 177.57 3hac h ARG 125 N 0.00 1.05 0.00 -0.99 2.43 -1.98 -3.36 114.38 111.53 3hac h ARG 125 Ca 0.00 -0.21 -0.08 0.00 -0.81 0.00 0.00 59.98 58.89 3hac h ARG 125 Cb 0.00 -0.16 -0.01 0.00 -0.42 0.00 0.00 29.97 29.37 3hac h ARG 125 CO 0.00 0.89 -1.34 0.72 -1.51 0.00 0.00 179.97 178.73 3hac n HIS 126 N -4.35 0.00 -2.62 2.20 8.25 -1.26 -5.06 115.22 112.38 3hac n HIS 126 Ca 0.05 0.00 -0.35 0.00 -0.26 0.00 0.00 57.72 57.16 3hac n HIS 126 Cb 0.20 -0.23 -0.05 0.00 1.12 0.00 0.00 29.99 31.03 3hac n HIS 126 CO 0.00 0.00 0.00 -1.54 0.64 0.00 0.00 176.34 175.44 3hac s SER 127 N -3.47 6.70 0.12 0.41 1.04 -1.26 -4.65 113.70 112.60 3hac s SER 127 Ca -0.02 1.92 -0.25 0.00 0.48 0.00 0.00 55.95 58.07 3hac s SER 127 Cb 0.02 -2.57 0.07 0.00 0.10 0.00 0.00 66.02 63.64 3hac s SER 127 CO 0.22 -0.53 0.82 -0.72 0.98 0.00 0.00 173.24 174.01 3hac s TYR 128 N -1.86 -0.30 0.26 5.02 -0.85 -1.26 -0.47 117.35 117.89 3hac s TYR 128 Ca 0.61 0.04 0.10 0.00 -0.52 0.00 0.00 57.07 57.31 3hac s TYR 128 Cb -0.17 0.60 -0.04 0.00 0.38 0.00 0.00 41.96 42.72 3hac s TYR 128 CO 0.22 -0.81 -0.05 0.95 -1.52 0.00 0.00 175.55 174.34 3hac s THR 129 N -3.43 3.22 0.22 -3.49 -4.23 -0.70 -4.60 115.64 102.63 3hac s THR 129 Ca 0.07 -2.00 -0.21 0.00 -1.18 0.00 0.00 61.69 58.38 3hac s THR 129 Cb -0.02 -2.71 0.04 0.00 1.34 0.00 0.00 72.50 71.15 3hac s THR 129 CO -0.04 -0.36 0.63 0.00 -0.54 0.00 0.00 174.62 174.31 3hac s ALA 130 N -2.31 -1.27 0.20 3.99 0.00 -0.60 -1.31 121.76 120.47 3hac s ALA 130 Ca 0.30 -0.02 0.01 0.00 0.00 0.00 0.00 51.96 52.25 3hac s ALA 130 Cb -0.06 0.87 -0.04 0.00 0.00 0.00 0.00 23.12 23.89 3hac s ALA 130 CO 0.18 -0.89 0.37 -1.12 0.00 0.00 0.00 175.76 174.31 3hac s SER 131 N -2.85 6.36 0.01 0.00 0.01 0.85 -1.65 113.70 116.43 3hac s SER 131 Ca 0.07 0.31 0.01 0.00 1.31 0.00 0.00 55.95 57.65 3hac s SER 131 Cb -0.03 -1.97 -0.01 0.00 0.21 0.00 0.00 66.02 64.22 3hac s SER 131 CO -0.02 -0.04 -0.03 -0.31 0.41 0.00 0.00 173.24 173.24 3hac s TYR 132 N -1.89 0.28 0.10 2.43 1.51 -1.26 -1.60 117.35 116.92 3hac s TYR 132 Ca 0.37 -0.19 0.06 0.00 -1.01 0.00 0.00 57.07 56.30 3hac s TYR 132 Cb -0.11 -0.18 -0.03 0.00 -0.11 0.00 0.00 41.96 41.53 3hac s TYR 132 CO 0.29 -0.05 -0.15 -0.51 -1.11 0.00 0.00 175.55 174.02 3hac s ASP 133 N -0.53 1.97 -0.11 2.29 1.01 -0.59 -4.50 116.67 116.21 3hac s ASP 133 Ca -0.04 -0.71 0.02 0.00 0.71 0.00 0.00 52.55 52.53 3hac s ASP 133 Cb -0.04 -0.07 -0.01 0.00 1.01 0.00 0.00 42.92 43.81 3hac s ASP 133 CO -0.00 -0.08 -0.17 -0.63 0.21 0.00 0.00 175.17 174.49 3hac s ILE 134 N -1.62 2.68 -0.16 0.77 1.01 -1.26 0.71 121.20 123.33 3hac s ILE 134 Ca 0.04 -0.80 -0.02 0.00 0.00 0.00 0.00 60.65 59.86 3hac s ILE 134 Cb -0.08 -2.09 -0.02 0.00 0.01 0.00 0.00 42.46 40.29 3hac s ILE 134 CO 0.03 0.54 -0.07 -0.47 0.00 0.00 0.00 174.94 174.97 3hac s TYR 135 N 0.26 2.94 -0.32 3.97 5.04 -0.15 -0.66 117.35 128.43 3hac s TYR 135 Ca -0.12 -0.51 -0.28 0.00 -2.44 0.00 0.00 57.07 53.71 3hac s TYR 135 Cb -0.16 -1.94 0.02 0.00 0.35 0.00 0.00 41.96 40.22 3hac s TYR 135 CO 0.06 -0.17 1.04 0.34 -1.34 0.00 0.00 175.55 175.48 3hac s ASP 136 N 0.53 6.89 0.27 4.32 -1.08 0.94 -1.53 116.67 127.01 3hac s ASP 136 Ca -0.05 0.98 0.14 0.00 -0.52 0.00 0.00 52.55 53.10 3hac s ASP 136 Cb -0.15 -2.53 0.24 0.00 -1.46 0.00 0.00 42.92 39.03 3hac s ASP 136 CO 0.03 -0.86 1.52 -0.07 0.52 0.00 0.00 175.17 176.31 3hac h LEU 137 N 10.04 0.00 0.10 -1.34 3.38 -1.27 0.24 115.31 126.47 3hac h LEU 137 Ca -0.21 0.00 -0.18 0.00 0.09 0.00 0.00 57.88 57.58 3hac h LEU 137 Cb 1.06 0.00 0.02 0.00 0.09 0.00 0.00 40.66 41.83 3hac h LEU 137 CO 1.02 0.59 -0.77 0.78 0.09 0.00 0.00 178.44 180.16 3hac h ASN 138 N 0.00 0.49 -0.16 -0.43 2.35 -1.91 -3.31 115.58 112.61 3hac h ASN 138 Ca -0.01 -0.90 0.00 0.00 -0.55 0.00 0.00 56.30 54.85 3hac h ASN 138 Cb 1.28 -0.16 0.00 0.00 0.05 0.00 0.00 38.32 39.49 3hac h ASN 138 CO 0.08 1.35 0.00 2.29 -1.65 0.00 0.00 177.43 179.50 3hac n LYS 139 N -4.14 1.97 -3.71 0.81 2.85 -1.24 -4.98 118.16 109.71 3hac n LYS 139 Ca -0.13 -1.44 -0.23 0.00 -1.05 0.00 0.00 58.31 55.46 3hac n LYS 139 Cb 0.79 -1.45 0.03 0.00 -0.65 0.00 0.00 35.03 33.75 3hac n LYS 139 CO 0.00 0.00 0.00 0.54 -0.05 0.00 0.00 177.40 177.89 3hac n ARG 140 N 0.68 -3.76 -3.73 -1.58 5.12 0.03 -4.99 116.66 108.44 3hac n ARG 140 Ca 0.17 0.57 -0.13 0.00 -1.93 0.00 0.00 57.85 56.53 3hac n ARG 140 Cb 0.43 -4.92 -0.10 0.00 -1.16 0.00 0.00 32.46 26.72 3hac n ARG 140 CO 0.00 0.00 0.00 -0.65 -1.93 0.00 0.00 177.63 175.05 3hac s GLN 141 N -5.96 0.54 0.30 5.56 -0.21 -0.94 -4.99 119.66 113.96 3hac s GLN 141 Ca 0.12 0.45 -0.29 0.00 0.02 0.00 0.00 55.36 55.66 3hac s GLN 141 Cb -0.04 0.26 -0.10 0.00 1.00 0.00 0.00 33.01 34.13 3hac s GLN 141 CO 0.83 -0.09 1.41 -0.51 -2.12 0.00 0.00 175.29 174.81 3hac s LEU 142 N -0.07 4.39 -0.07 2.90 1.43 -1.26 -0.04 118.68 125.95 3hac s LEU 142 Ca -0.03 2.76 -0.30 0.00 -1.03 0.00 0.00 54.13 55.54 3hac s LEU 142 Cb -0.03 -3.64 -0.02 0.00 0.03 0.00 0.00 46.19 42.53 3hac s LEU 142 CO 0.01 -0.69 1.00 -0.63 0.23 0.00 0.00 176.35 176.28 3hac s ILE 143 N -0.60 4.80 -0.44 -0.59 1.09 0.17 -4.88 121.20 120.74 3hac s ILE 143 Ca 0.55 2.04 0.13 0.00 -1.10 0.00 0.00 60.65 62.28 3hac s ILE 143 Cb -0.42 -4.31 -0.17 0.00 -1.06 0.00 0.00 42.46 36.50 3hac s ILE 143 CO 0.51 0.05 0.48 0.35 -0.10 0.00 0.00 174.94 176.23 3hac n THR 144 N 4.34 0.00 -3.46 2.92 -2.24 -1.26 -4.63 114.28 109.95 3hac n THR 144 Ca 0.08 -0.23 -0.37 0.00 -2.27 0.00 0.00 64.05 61.26 3hac n THR 144 Cb 0.49 0.75 -0.06 0.00 -2.10 0.00 0.00 70.33 69.42 3hac n THR 144 CO 0.00 0.00 0.00 -1.61 -0.57 0.00 0.00 175.07 172.89 3hac s GLU 145 N -2.47 3.95 -1.37 -0.78 0.41 -1.26 -4.49 118.70 112.69 3hac s GLU 145 Ca 0.02 0.45 -0.04 0.00 -0.41 0.00 0.00 54.97 54.99 3hac s GLU 145 Cb 0.10 -3.17 0.02 0.00 -1.78 0.00 0.00 34.13 29.30 3hac s GLU 145 CO 0.55 0.65 0.76 0.39 -0.49 0.00 0.00 175.26 177.13 3hac n GLU 146 N 1.60 -5.03 -1.95 1.61 -0.58 -1.26 -4.63 120.64 110.39 3hac n GLU 146 Ca -0.12 0.61 -0.36 0.00 -0.42 0.00 0.00 57.16 56.87 3hac n GLU 146 Cb 0.52 -5.24 0.04 0.00 -0.57 0.00 0.00 31.44 26.19 3hac n GLU 146 CO 0.00 0.00 0.00 1.03 -0.48 0.00 0.00 177.13 177.68 3hac s ARG 147 N -6.17 2.89 0.23 3.49 0.52 -1.26 -4.84 118.95 113.81 3hac s ARG 147 Ca 0.18 1.78 -0.31 0.00 -0.52 0.00 0.00 55.73 56.86 3hac s ARG 147 Cb -0.09 -1.92 -0.11 0.00 0.52 0.00 0.00 34.95 33.34 3hac s ARG 147 CO 0.82 -1.26 1.66 0.42 0.02 0.00 0.00 175.30 176.96 3hac s ILE 148 N -1.69 2.12 0.85 1.52 1.01 -1.26 -4.97 121.20 118.77 3hac s ILE 148 Ca 0.76 0.09 -0.11 0.00 0.00 0.00 0.00 60.65 61.40 3hac s ILE 148 Cb -0.29 -3.06 0.10 0.00 0.01 0.00 0.00 42.46 39.22 3hac s ILE 148 CO 0.35 0.01 1.10 -2.16 0.00 0.00 0.00 174.94 174.23 3hac s PRO 149 N 0.57 1.63 0.80 2.79 0.04 -1.26 -4.55 135.00 135.02 3hac s PRO 149 Ca 0.70 1.09 -0.11 0.00 0.04 0.00 0.00 61.00 62.73 3hac s PRO 149 Cb -0.48 -1.83 0.07 0.00 0.04 0.00 0.00 34.50 32.30 3hac s PRO 149 CO 0.38 -2.06 1.09 -0.80 0.04 0.00 0.00 177.00 175.65 3hac s ASN 150 N -3.27 4.26 -1.69 6.66 0.01 -1.26 -3.69 114.94 115.96 3hac s ASN 150 Ca 0.63 1.77 -0.01 0.00 -0.71 0.00 0.00 52.86 54.54 3hac s ASN 150 Cb -0.18 -2.46 0.00 0.00 0.41 0.00 0.00 41.25 39.02 3hac s ASN 150 CO 0.57 -2.18 0.09 0.59 -1.51 0.00 0.00 177.10 174.66 3hac n ASN 151 N -3.61 -5.80 -4.75 -1.22 3.02 -1.19 -4.97 115.26 96.74 3hac n ASN 151 Ca 0.09 -0.06 -0.41 0.00 -0.03 0.00 0.00 54.58 54.17 3hac n ASN 151 Cb 0.53 -4.78 -0.03 0.00 -0.61 0.00 0.00 39.78 34.89 3hac n ASN 151 CO 0.00 0.00 0.00 -0.89 -2.62 0.00 0.00 177.26 173.75 3hac s THR 152 N -3.03 3.06 -0.10 3.41 2.01 -0.66 -4.58 115.64 115.75 3hac s THR 152 Ca 0.05 0.96 0.11 0.00 0.31 0.00 0.00 61.69 63.12 3hac s THR 152 Cb -0.02 -3.61 -0.24 0.00 0.01 0.00 0.00 72.50 68.64 3hac s THR 152 CO 0.06 0.19 0.44 0.00 -0.69 0.00 0.00 174.62 174.62 3hac n GLN 153 N 1.79 0.66 -3.64 4.92 6.02 0.15 -1.56 117.38 125.73 3hac n GLN 153 Ca 0.03 0.21 -0.14 0.00 -0.01 0.00 0.00 57.00 57.09 3hac n GLN 153 Cb 0.43 -1.70 -0.08 0.00 1.02 0.00 0.00 30.24 29.91 3hac n GLN 153 CO 0.00 0.00 0.00 -0.46 -1.01 0.00 0.00 177.06 175.59 3hac s TRP 154 N -2.56 -0.65 -0.02 1.08 -0.11 -1.19 -4.62 118.94 110.86 3hac s TRP 154 Ca -0.09 1.50 -0.04 0.00 1.22 0.00 0.00 56.10 58.69 3hac s TRP 154 Cb 0.07 0.26 0.00 0.00 -1.50 0.00 0.00 33.47 32.31 3hac s TRP 154 CO 0.81 -0.38 0.10 0.54 -4.62 0.00 0.00 176.95 173.39 3hac s VAL 155 N -0.03 0.03 -0.18 5.86 0.11 -1.26 -0.58 120.40 124.35 3hac s VAL 155 Ca -0.03 -0.26 -0.11 0.00 -2.93 0.00 0.00 61.98 58.65 3hac s VAL 155 Cb -0.04 -0.23 0.06 0.00 -1.53 0.00 0.00 36.38 34.64 3hac s VAL 155 CO 0.03 -0.14 0.44 0.28 -3.33 0.00 0.00 175.10 172.37 3hac s THR 156 N -0.44 -0.02 0.73 5.04 -1.32 -0.44 -5.01 115.64 114.18 3hac s THR 156 Ca -0.05 0.06 -0.15 0.00 -1.21 0.00 0.00 61.69 60.35 3hac s THR 156 Cb -0.03 -0.64 0.04 0.00 -1.51 0.00 0.00 72.50 70.36 3hac s THR 156 CO 0.00 0.03 1.19 0.26 -2.21 0.00 0.00 174.62 173.89 3hac s TRP 157 N 1.13 2.10 0.90 9.09 0.52 -1.26 -1.24 118.94 130.17 3hac s TRP 157 Ca -0.07 1.60 -0.10 0.00 0.02 0.00 0.00 56.10 57.55 3hac s TRP 157 Cb -0.07 -3.43 0.13 0.00 -1.15 0.00 0.00 33.47 28.96 3hac s TRP 157 CO -0.10 -2.51 1.12 -1.54 0.02 0.00 0.00 176.95 173.94 3hac s SER 158 N -2.13 3.17 0.47 2.95 1.04 0.20 -4.85 113.70 114.56 3hac s SER 158 Ca 0.73 2.04 0.30 0.00 0.48 0.00 0.00 55.95 59.50 3hac s SER 158 Cb -0.28 -2.53 1.14 0.00 0.10 0.00 0.00 66.02 64.46 3hac s SER 158 CO 0.46 -2.92 1.88 -0.65 0.98 0.00 0.00 173.24 172.99 3hac h PRO 159 N -1.74 0.00 -5.41 4.02 0.11 -1.82 -3.43 132.00 123.73 3hac h PRO 159 Ca -0.45 0.00 -0.44 0.00 0.11 0.00 0.00 66.00 65.22 3hac h PRO 159 Cb 1.26 0.00 -0.23 0.00 0.11 0.00 0.00 31.00 32.14 3hac h PRO 159 CO 0.45 0.00 -0.79 0.08 -0.21 0.00 0.00 178.00 177.53 3hac s VAL 160 N -3.52 1.17 0.00 3.15 1.01 -1.26 -4.80 120.40 116.15 3hac s VAL 160 Ca 0.03 -1.16 0.00 0.00 0.00 0.00 0.00 61.98 60.85 3hac s VAL 160 Cb 0.09 -1.09 0.00 0.00 0.00 0.00 0.00 36.38 35.38 3hac s VAL 160 CO 0.54 -0.08 0.00 0.61 0.00 0.00 0.00 175.10 176.17 3hac n GLY 161 N 1.60 1.24 1.47 4.51 0.00 -1.26 -4.51 105.19 108.24 3hac n GLY 161 Ca -0.19 -0.58 -0.04 0.00 0.00 0.00 0.00 46.02 45.21 3hac n GLY 161 CO 0.00 0.00 0.00 -2.39 0.00 0.00 0.00 173.32 170.93 3hac n HIS 162 N 12.60 -0.35 -1.72 1.61 1.44 -1.26 -2.94 115.22 124.59 3hac n HIS 162 Ca 0.00 -0.81 -0.33 0.00 -2.01 0.00 0.00 57.72 54.58 3hac n HIS 162 Cb 0.00 0.59 0.05 0.00 0.12 0.00 0.00 29.99 30.75 3hac n HIS 162 CO 0.00 0.00 0.00 0.15 -2.81 0.00 0.00 176.34 173.68 3hac s LYS 163 N -0.13 2.79 0.01 -1.40 1.02 -1.26 -4.54 119.74 116.23 3hac s LYS 163 Ca 0.07 1.34 0.05 0.00 0.02 0.00 0.00 55.97 57.46 3hac s LYS 163 Cb 0.15 -1.95 -0.02 0.00 -0.52 0.00 0.00 37.83 35.49 3hac s LYS 163 CO -0.05 -1.25 -0.16 -0.51 -0.92 0.00 0.00 175.35 172.45 3hac s LEU 164 N -4.97 2.09 -0.05 3.17 1.43 0.02 -0.63 118.68 119.74 3hac s LEU 164 Ca 0.66 -0.38 0.06 0.00 -1.03 0.00 0.00 54.13 53.44 3hac s LEU 164 Cb -0.20 -0.80 -0.01 0.00 0.03 0.00 0.00 46.19 45.21 3hac s LEU 164 CO 0.43 0.15 -0.24 0.00 0.23 0.00 0.00 176.35 176.92 3hac s ALA 165 N -0.57 2.19 0.07 4.21 0.00 -0.37 -0.92 121.76 126.37 3hac s ALA 165 Ca 0.05 -1.05 0.01 0.00 0.00 0.00 0.00 51.96 50.97 3hac s ALA 165 Cb -0.07 -0.68 -0.04 0.00 0.00 0.00 0.00 23.12 22.33 3hac s ALA 165 CO 0.00 0.43 -0.06 1.52 0.00 0.00 0.00 175.76 177.66 3hac s TYR 166 N -0.23 0.70 -0.13 0.00 1.13 -0.35 -1.33 117.35 117.14 3hac s TYR 166 Ca -0.01 -0.84 0.02 0.00 -1.41 0.00 0.00 57.07 54.82 3hac s TYR 166 Cb -0.13 -0.44 -0.00 0.00 -1.10 0.00 0.00 41.96 40.29 3hac s TYR 166 CO 0.03 -0.20 -0.19 0.08 -2.51 0.00 0.00 175.55 172.77 3hac s VAL 167 N -3.09 2.48 -0.06 -3.49 1.01 0.25 -0.77 120.40 116.73 3hac s VAL 167 Ca 0.04 -0.86 -0.02 0.00 0.00 0.00 0.00 61.98 61.14 3hac s VAL 167 Cb 0.02 -2.01 0.04 0.00 0.00 0.00 0.00 36.38 34.43 3hac s VAL 167 CO -0.05 0.54 0.12 0.86 0.00 0.00 0.00 175.10 176.57 3hac s TRP 168 N 0.53 -0.12 -1.53 5.22 -0.00 -0.43 -0.67 118.94 121.94 3hac s TRP 168 Ca -0.12 0.41 -0.12 0.00 -0.00 0.00 0.00 56.10 56.27 3hac s TRP 168 Cb -0.16 -0.12 0.08 0.00 -0.00 0.00 0.00 33.47 33.26 3hac s TRP 168 CO 0.04 -0.15 0.90 0.09 -0.00 0.00 0.00 176.95 177.83 3hac n ASN 169 N 4.24 -3.95 0.00 5.86 5.03 -1.26 -1.98 115.26 123.20 3hac n ASN 169 Ca -0.26 -0.83 0.00 0.00 0.87 0.00 0.00 54.58 54.36 3hac n ASN 169 Cb 0.51 -3.70 0.00 0.00 -1.02 0.00 0.00 39.78 35.58 3hac n ASN 169 CO 0.00 0.00 0.00 0.59 -1.83 0.00 0.00 177.26 176.02 3hac n ASN 170 N -2.84 -4.22 -4.45 6.41 5.03 -1.26 -4.39 115.26 109.54 3hac n ASN 170 Ca -0.01 0.00 -0.28 0.00 0.87 0.00 0.00 54.58 55.16 3hac n ASN 170 Cb 0.55 -1.84 -0.12 0.00 -1.02 0.00 0.00 39.78 37.35 3hac n ASN 170 CO 0.00 0.00 0.00 -1.81 -1.83 0.00 0.00 177.26 173.62 3hac s ASP 171 N -2.02 3.63 -0.04 6.41 -0.00 -0.84 -1.81 116.67 122.00 3hac s ASP 171 Ca 0.00 -0.72 -0.15 0.00 -0.00 0.00 0.00 52.55 51.68 3hac s ASP 171 Cb 0.00 -0.38 -0.05 0.00 -0.00 0.00 0.00 42.92 42.49 3hac s ASP 171 CO 0.00 0.15 0.39 -0.63 -0.00 0.00 0.00 175.17 175.08 3hac s ILE 172 N -1.38 5.11 0.06 0.77 1.01 -1.26 -1.31 121.20 124.20 3hac s ILE 172 Ca 0.19 0.78 0.05 0.00 0.00 0.00 0.00 60.65 61.67 3hac s ILE 172 Cb -0.09 -3.70 -0.03 0.00 0.01 0.00 0.00 42.46 38.65 3hac s ILE 172 CO 0.10 0.52 -0.14 -0.31 0.00 0.00 0.00 174.94 175.11 3hac s TYR 173 N -0.63 1.18 -0.05 3.97 1.51 0.05 -0.14 117.35 123.24 3hac s TYR 173 Ca 0.23 -0.41 0.04 0.00 -1.01 0.00 0.00 57.07 55.92 3hac s TYR 173 Cb -0.16 -0.68 -0.00 0.00 -0.11 0.00 0.00 41.96 41.01 3hac s TYR 173 CO 0.11 0.04 -0.18 0.08 -1.11 0.00 0.00 175.55 174.49 3hac s VAL 174 N -1.09 1.52 -0.20 0.71 1.01 -0.10 -1.21 120.40 121.04 3hac s VAL 174 Ca -0.01 -0.75 -0.02 0.00 0.00 0.00 0.00 61.98 61.20 3hac s VAL 174 Cb -0.09 -1.31 0.00 0.00 0.00 0.00 0.00 36.38 34.98 3hac s VAL 174 CO 0.02 0.44 -0.10 -0.54 0.00 0.00 0.00 175.10 174.92 3hac s LYS 175 N 0.13 3.25 0.18 2.72 1.02 -0.10 -0.11 119.74 126.83 3hac s LYS 175 Ca -0.07 -0.69 0.05 0.00 0.02 0.00 0.00 55.97 55.28 3hac s LYS 175 Cb -0.13 -2.85 0.04 0.00 -0.52 0.00 0.00 37.83 34.37 3hac s LYS 175 CO 0.03 -0.19 1.41 0.82 -0.92 0.00 0.00 175.35 176.51 3hac h ILE 176 N 5.77 1.53 -3.83 2.17 1.08 -1.85 0.10 117.51 122.48 3hac h ILE 176 Ca -0.42 -2.66 -0.32 0.00 -0.39 0.00 0.00 64.86 61.06 3hac h ILE 176 Cb 1.16 2.46 -0.29 0.00 -3.07 0.00 0.00 36.82 37.08 3hac h ILE 176 CO 0.61 0.77 -0.75 -1.61 -0.69 0.00 0.00 178.15 176.48 3hac s GLU 177 N -3.20 0.38 0.53 2.37 0.41 -1.26 -4.26 118.70 113.67 3hac s GLU 177 Ca -0.02 -0.14 0.22 0.00 -0.41 0.00 0.00 54.97 54.63 3hac s GLU 177 Cb 0.11 -0.39 1.36 0.00 -1.78 0.00 0.00 34.13 33.42 3hac s GLU 177 CO 0.81 0.07 2.04 -1.35 -0.49 0.00 0.00 175.26 176.34 3hac h PRO 178 N 6.20 0.00 -0.07 0.39 0.11 -1.86 -1.39 132.00 135.38 3hac h PRO 178 Ca -0.29 -0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.82 3hac h PRO 178 Cb 1.19 -0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.30 3hac h PRO 178 CO 0.50 0.00 0.00 0.27 -0.21 0.00 0.00 178.00 178.56 3hac n ASN 179 N -4.43 2.12 -4.96 -2.05 6.94 -1.26 -4.85 115.26 106.78 3hac n ASN 179 Ca 0.06 -1.72 -0.23 0.00 -0.02 0.00 0.00 54.58 52.67 3hac n ASN 179 Cb 0.46 -0.03 -0.03 0.00 -2.36 0.00 0.00 39.78 37.82 3hac n ASN 179 CO 0.00 0.00 0.00 -0.76 -1.03 0.00 0.00 177.26 175.47 3hac s LEU 180 N -1.90 4.32 0.54 -4.53 1.43 -0.53 -4.54 118.68 113.48 3hac s LEU 180 Ca 0.34 0.11 -0.22 0.00 -1.03 0.00 0.00 54.13 53.34 3hac s LEU 180 Cb 0.20 -2.88 -0.05 0.00 0.03 0.00 0.00 46.19 43.50 3hac s LEU 180 CO 0.31 -0.01 1.38 -2.84 0.23 0.00 0.00 176.35 175.42 3hac s PRO 181 N -3.63 3.17 0.44 1.29 0.02 -1.26 -4.83 135.00 130.19 3hac s PRO 181 Ca 0.34 2.29 -0.22 0.00 0.02 0.00 0.00 61.00 63.43 3hac s PRO 181 Cb -0.10 -2.30 -0.09 0.00 0.02 0.00 0.00 34.50 32.03 3hac s PRO 181 CO 0.29 -1.19 1.01 -1.54 -0.33 0.00 0.00 177.00 175.24 3hac s SER 182 N -0.87 6.69 -0.24 2.53 1.04 -1.26 -4.73 113.70 116.85 3hac s SER 182 Ca 0.71 1.88 -0.15 0.00 0.48 0.00 0.00 55.95 58.88 3hac s SER 182 Cb -0.42 -2.56 -0.04 0.00 0.10 0.00 0.00 66.02 63.10 3hac s SER 182 CO 0.50 -0.54 0.35 -0.31 0.98 0.00 0.00 173.24 174.22 3hac s TYR 183 N -1.93 3.29 -0.17 5.02 2.02 0.85 -4.90 117.35 121.53 3hac s TYR 183 Ca 0.62 0.45 -0.29 0.00 -0.37 0.00 0.00 57.07 57.48 3hac s TYR 183 Cb -0.16 -2.52 -0.01 0.00 -0.40 0.00 0.00 41.96 38.87 3hac s TYR 183 CO 0.20 -0.13 1.22 0.50 -1.57 0.00 0.00 175.55 175.77 3hac s ARG 184 N 1.71 4.24 -0.13 -0.62 6.06 -1.26 -0.92 118.95 128.03 3hac s ARG 184 Ca 0.15 1.61 -0.13 0.00 -2.50 0.00 0.00 55.73 54.86 3hac s ARG 184 Cb -0.15 -3.73 -0.25 0.00 0.06 0.00 0.00 34.95 30.88 3hac s ARG 184 CO 0.09 -0.68 0.39 0.82 -2.50 0.00 0.00 175.30 173.42 3hac h ILE 185 N 5.46 0.80 -3.73 4.11 1.08 -0.90 -3.39 117.51 120.95 3hac h ILE 185 Ca -0.25 -2.32 -0.56 0.00 -0.39 0.00 0.00 64.86 61.33 3hac h ILE 185 Cb 1.10 2.50 -0.21 0.00 -3.07 0.00 0.00 36.82 37.14 3hac h ILE 185 CO 0.97 0.71 -0.82 0.42 -0.69 0.00 0.00 178.15 178.74 3hac s THR 186 N -2.49 1.80 0.00 -0.27 -4.23 -1.18 -4.73 115.64 104.53 3hac s THR 186 Ca -0.23 -1.68 0.00 0.00 -1.18 0.00 0.00 61.69 58.60 3hac s THR 186 Cb 0.06 -1.69 0.00 0.00 1.34 0.00 0.00 72.50 72.21 3hac s THR 186 CO 0.73 -0.12 0.56 0.79 -0.54 0.00 0.00 174.62 176.04 3hac n TRP 187 N 0.82 0.00 0.96 3.99 7.02 -1.26 -4.43 117.44 124.54 3hac n TRP 187 Ca -0.17 -0.15 0.10 0.00 -1.02 0.00 0.00 57.50 56.26 3hac n TRP 187 Cb 0.55 -0.02 -0.03 0.00 -2.42 0.00 0.00 31.31 29.39 3hac n TRP 187 CO 0.00 0.00 0.00 0.25 -2.02 0.00 0.00 177.69 175.92 3hac n THR 188 N -0.15 0.00 -1.62 -0.99 -2.24 -1.26 -5.00 114.28 103.02 3hac n THR 188 Ca 0.00 -0.22 -0.46 0.00 -2.27 0.00 0.00 64.05 61.10 3hac n THR 188 Cb 0.19 1.20 -0.03 0.00 -2.10 0.00 0.00 70.33 69.59 3hac n THR 188 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3hac n GLY 189 N 1.41 0.33 3.35 3.38 0.00 -1.26 -4.69 105.19 107.70 3hac n GLY 189 Ca 0.08 0.48 -0.08 0.00 0.00 0.00 0.00 46.02 46.51 3hac n GLY 189 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 3hac s LYS 190 N -0.59 0.40 0.09 1.61 2.20 -0.67 -4.90 119.74 117.89 3hac s LYS 190 Ca 0.69 1.07 -0.36 0.00 -0.36 0.00 0.00 55.97 57.01 3hac s LYS 190 Cb -0.74 0.34 -0.16 0.00 -1.51 0.00 0.00 37.83 35.76 3hac s LYS 190 CO 0.52 -0.22 1.39 -1.91 -0.36 0.00 0.00 175.35 174.78 3hac n GLU 191 N 5.13 1.33 -1.03 4.03 2.13 -1.26 -1.22 120.64 129.75 3hac n GLU 191 Ca -0.12 0.48 -0.01 0.00 0.66 0.00 0.00 57.16 58.17 3hac n GLU 191 Cb 0.51 -2.15 -0.00 0.00 0.27 0.00 0.00 31.44 30.07 3hac n GLU 191 CO 0.00 0.00 0.00 -0.25 -0.41 0.00 0.00 177.13 176.47 3hac n ASP 192 N 2.74 -5.35 0.08 4.31 8.00 -1.26 -4.70 116.55 120.37 3hac n ASP 192 Ca 0.18 0.03 0.00 0.00 0.71 0.00 0.00 54.79 55.71 3hac n ASP 192 Cb 0.21 -2.95 0.00 0.00 -0.02 0.00 0.00 41.12 38.35 3hac n ASP 192 CO 0.00 0.00 0.00 -0.38 -0.39 0.00 0.00 177.20 176.43 3hac n ILE 193 N -2.23 0.33 -4.08 0.53 2.08 -0.38 -4.72 119.36 110.89 3hac n ILE 193 Ca -0.01 0.11 -0.34 0.00 0.56 0.00 0.00 62.75 63.07 3hac n ILE 193 Cb 0.41 -0.76 -0.15 0.00 -0.75 0.00 0.00 39.64 38.39 3hac n ILE 193 CO 0.00 0.00 0.00 -0.63 0.56 0.00 0.00 176.55 176.48 3hac s ILE 194 N -1.69 2.88 -0.34 1.39 -1.09 -0.35 -0.19 121.20 121.81 3hac s ILE 194 Ca 0.00 -0.67 -0.03 0.00 -2.23 0.00 0.00 60.65 57.72 3hac s ILE 194 Cb 0.00 -2.27 0.07 0.00 -1.58 0.00 0.00 42.46 38.68 3hac s ILE 194 CO 0.00 0.47 0.09 -0.31 -1.23 0.00 0.00 174.94 173.96 3hac s TYR 195 N 1.29 3.37 -0.33 3.97 1.51 -0.05 -1.67 117.35 125.44 3hac s TYR 195 Ca 0.04 -1.95 -0.14 0.00 -1.01 0.00 0.00 57.07 54.01 3hac s TYR 195 Cb -0.14 -2.51 -0.02 0.00 -0.11 0.00 0.00 41.96 39.17 3hac s TYR 195 CO -0.06 -0.84 0.31 -0.80 -1.11 0.00 0.00 175.55 173.05 3hac s ASN 196 N 1.48 6.14 0.00 2.29 0.01 -0.75 -0.70 114.94 123.41 3hac s ASN 196 Ca -0.00 -0.20 0.00 0.00 -0.71 0.00 0.00 52.86 51.95 3hac s ASN 196 Cb -0.21 -2.17 0.00 0.00 0.41 0.00 0.00 41.25 39.28 3hac s ASN 196 CO -0.01 -0.26 0.00 0.61 -1.51 0.00 0.00 177.10 175.92 3hac n GLY 197 N 4.98 0.82 3.19 0.66 0.00 -0.21 -4.34 105.19 110.29 3hac n GLY 197 Ca -0.10 0.00 -0.14 0.00 0.00 0.00 0.00 46.02 45.78 3hac n GLY 197 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 3hac s ILE 198 N -3.34 0.94 0.26 -0.61 -4.36 -1.26 -0.23 121.20 112.60 3hac s ILE 198 Ca 0.00 -1.79 -0.04 0.00 -0.26 0.00 0.00 60.65 58.56 3hac s ILE 198 Cb 0.00 -1.53 -0.05 0.00 1.25 0.00 0.00 42.46 42.13 3hac s ILE 198 CO 0.00 -0.66 0.51 0.42 0.24 0.00 0.00 174.94 175.45 3hac s THR 199 N -2.87 5.07 0.84 8.37 -4.23 0.26 -4.68 115.64 118.39 3hac s THR 199 Ca 0.09 -0.02 -0.13 0.00 -1.18 0.00 0.00 61.69 60.45 3hac s THR 199 Cb -0.00 -3.72 0.19 0.00 1.34 0.00 0.00 72.50 70.31 3hac s THR 199 CO -0.01 -0.27 1.14 -0.90 -0.54 0.00 0.00 174.62 174.05 3hac n ASP 200 N -0.81 0.19 -0.15 3.99 5.75 -1.26 -4.75 116.55 119.51 3hac n ASP 200 Ca -0.02 -1.47 -0.03 0.00 -0.01 0.00 0.00 54.79 53.25 3hac n ASP 200 Cb 0.54 -0.86 0.04 0.00 -1.03 0.00 0.00 41.12 39.80 3hac n ASP 200 CO 0.00 0.00 0.00 -0.25 -0.11 0.00 0.00 177.20 176.84 3hac h TRP 201 N -1.58 -0.19 0.07 2.11 7.01 -2.00 -0.86 115.95 120.52 3hac h TRP 201 Ca -0.37 0.04 -0.25 0.00 2.11 0.00 0.00 58.89 60.42 3hac h TRP 201 Cb 1.04 0.16 -0.00 0.00 -2.10 0.00 0.00 29.16 28.26 3hac h TRP 201 CO 0.00 -0.18 -1.11 -0.24 -2.79 0.00 0.00 178.44 174.12 3hac h VAL 202 N 0.03 1.50 -0.21 2.65 3.04 -1.94 -1.90 116.25 119.42 3hac h VAL 202 Ca 0.24 -2.91 -0.13 0.00 -1.01 0.00 0.00 66.70 62.89 3hac h VAL 202 Cb 0.36 2.76 -0.01 0.00 -2.01 0.00 0.00 31.29 32.39 3hac h VAL 202 CO -0.47 0.85 -0.43 1.88 -1.01 0.00 0.00 177.57 178.39 3hac h TYR 203 N 0.10 0.61 0.27 3.17 -1.99 -1.90 -0.31 116.97 116.92 3hac h TYR 203 Ca -0.10 -0.18 -0.01 0.00 2.00 0.00 0.00 58.73 60.44 3hac h TYR 203 Cb 1.81 -0.13 0.00 0.00 2.00 0.00 0.00 36.73 40.41 3hac h TYR 203 CO 0.05 0.85 -0.13 1.49 -0.00 0.00 0.00 178.16 180.42 3hac h GLU 204 N 0.41 -0.35 -0.22 4.88 4.81 -1.05 -0.80 114.58 122.26 3hac h GLU 204 Ca 0.03 0.02 -0.17 0.00 -0.13 0.00 0.00 59.36 59.12 3hac h GLU 204 Cb 0.92 0.08 0.00 0.00 0.63 0.00 0.00 28.75 30.38 3hac h GLU 204 CO 0.08 -0.15 -0.53 1.49 -0.73 0.00 0.00 179.01 179.17 3hac h GLU 205 N -0.48 0.74 0.00 1.92 4.57 -1.33 -2.00 114.58 118.00 3hac h GLU 205 Ca -0.04 -0.51 -0.01 0.00 -1.18 0.00 0.00 59.36 57.62 3hac h GLU 205 Cb 0.36 0.07 -0.00 0.00 -0.16 0.00 0.00 28.75 29.02 3hac h GLU 205 CO 0.06 1.13 -1.48 0.39 -1.18 0.00 0.00 179.01 177.93 3hac n GLU 206 N -4.11 0.49 -0.00 1.92 -0.58 -0.13 -4.56 120.64 113.67 3hac n GLU 206 Ca -0.06 -0.09 -0.02 0.00 -0.42 0.00 0.00 57.16 56.58 3hac n GLU 206 Cb 0.61 -1.24 -0.01 0.00 -0.57 0.00 0.00 31.44 30.23 3hac n GLU 206 CO 0.00 0.00 0.00 0.28 -0.48 0.00 0.00 177.13 176.93 3hac n VAL 207 N -1.89 0.70 0.68 2.62 0.31 -0.88 -4.84 118.33 115.03 3hac n VAL 207 Ca -0.03 0.25 0.11 0.00 -0.01 0.00 0.00 64.34 64.67 3hac n VAL 207 Cb 0.31 -1.56 0.08 0.00 -0.91 0.00 0.00 33.84 31.77 3hac n VAL 207 CO 0.00 0.00 0.00 0.49 -1.32 0.00 0.00 176.83 176.00 3hac n PHE 208 N -3.22 0.24 -4.09 3.52 3.72 -0.36 -4.96 117.46 112.31 3hac n PHE 208 Ca -0.03 0.07 -0.32 0.00 -0.05 0.00 0.00 57.45 57.13 3hac n PHE 208 Cb 0.11 -0.41 -0.02 0.00 -0.94 0.00 0.00 39.48 38.22 3hac n PHE 208 CO 0.00 0.00 0.00 0.43 -0.05 0.00 0.00 176.76 177.14 3hac n SER 209 N -1.87 -2.30 -3.55 4.37 7.64 -0.76 -4.93 113.62 112.22 3hac n SER 209 Ca 0.03 -0.99 -0.12 0.00 1.01 0.00 0.00 58.87 58.80 3hac n SER 209 Cb 0.41 -2.97 -0.05 0.00 -1.01 0.00 0.00 64.21 60.59 3hac n SER 209 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 3hac s ALA 210 N -3.55 -1.88 -0.01 -0.43 0.00 -1.16 -4.97 121.76 109.76 3hac s ALA 210 Ca 0.45 1.44 0.11 0.00 0.00 0.00 0.00 51.96 53.96 3hac s ALA 210 Cb -0.24 -0.38 -0.10 0.00 0.00 0.00 0.00 23.12 22.40 3hac s ALA 210 CO 0.90 -0.38 1.31 -0.92 0.00 0.00 0.00 175.76 176.67 3hac h TYR 211 N 2.59 0.00 -3.75 0.00 3.20 -1.88 -3.38 116.97 113.75 3hac h TYR 211 Ca -0.21 0.00 -0.52 0.00 3.14 0.00 0.00 58.73 61.14 3hac h TYR 211 Cb 1.17 0.00 0.04 0.00 1.54 0.00 0.00 36.73 39.48 3hac h TYR 211 CO 0.31 0.78 0.57 0.45 -1.64 0.00 0.00 178.16 178.63 3hac s SER 212 N -6.55 7.00 -0.33 -2.11 0.15 -1.26 -0.57 113.70 110.02 3hac s SER 212 Ca 0.02 2.46 0.16 0.00 0.70 0.00 0.00 55.95 59.28 3hac s SER 212 Cb 0.09 -2.63 0.46 0.00 -1.71 0.00 0.00 66.02 62.23 3hac s SER 212 CO 0.79 -0.38 1.04 0.00 1.20 0.00 0.00 173.24 175.89 3hac n ALA 213 N 1.35 3.68 -2.59 5.45 0.00 0.68 -4.62 120.51 124.46 3hac n ALA 213 Ca 0.01 -3.33 -0.28 0.00 0.00 0.00 0.00 53.44 49.84 3hac n ALA 213 Cb 0.43 -0.79 -0.16 0.00 0.00 0.00 0.00 19.45 18.93 3hac n ALA 213 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 3hac s LEU 214 N -3.41 2.01 -0.26 0.00 1.43 -1.23 -2.02 118.68 115.20 3hac s LEU 214 Ca 0.33 -0.40 -0.04 0.00 -1.03 0.00 0.00 54.13 52.99 3hac s LEU 214 Cb 0.41 -1.12 0.09 0.00 0.03 0.00 0.00 46.19 45.60 3hac s LEU 214 CO -0.02 0.23 0.13 0.26 0.23 0.00 0.00 176.35 177.18 3hac s TRP 215 N -0.30 0.26 0.36 0.29 0.51 0.10 -4.99 118.94 115.17 3hac s TRP 215 Ca 0.03 -0.71 -0.28 0.00 -2.12 0.00 0.00 56.10 53.02 3hac s TRP 215 Cb -0.10 -0.83 -0.10 0.00 -0.81 0.00 0.00 33.47 31.63 3hac s TRP 215 CO 0.01 -0.75 1.31 -1.58 -0.51 0.00 0.00 176.95 175.43 3hac s TRP 216 N 2.12 2.94 0.82 -1.98 0.52 -1.26 -0.68 118.94 121.42 3hac s TRP 216 Ca 0.07 1.40 -0.11 0.00 0.02 0.00 0.00 56.10 57.48 3hac s TRP 216 Cb -0.16 -3.69 0.09 0.00 -1.15 0.00 0.00 33.47 28.56 3hac s TRP 216 CO -0.30 -1.99 1.14 -1.54 0.02 0.00 0.00 176.95 174.28 3hac s SER 217 N -0.56 3.77 0.41 2.95 1.04 0.87 -4.90 113.70 117.28 3hac s SER 217 Ca 0.52 2.09 0.14 0.00 0.48 0.00 0.00 55.95 59.18 3hac s SER 217 Cb -0.39 -2.56 1.01 0.00 0.10 0.00 0.00 66.02 64.18 3hac s SER 217 CO 0.52 -2.53 1.91 -0.65 0.98 0.00 0.00 173.24 173.46 3hac h PRO 218 N -1.25 0.46 -0.47 4.02 0.11 -1.90 -0.60 132.00 132.37 3hac h PRO 218 Ca -0.44 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 65.64 3hac h PRO 218 Cb 1.26 -0.10 0.00 0.00 0.11 0.00 0.00 31.00 32.27 3hac h PRO 218 CO 0.47 0.30 0.00 0.27 -0.21 0.00 0.00 178.00 178.83 3hac n ASN 219 N -4.50 3.32 0.00 -2.05 0.23 -1.26 -4.36 115.26 106.64 3hac n ASN 219 Ca 0.15 -1.96 0.00 0.00 -0.53 0.00 0.00 54.58 52.25 3hac n ASN 219 Cb 0.53 -0.31 0.00 0.00 -2.08 0.00 0.00 39.78 37.92 3hac n ASN 219 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 3hac n GLY 220 N 1.12 0.76 0.24 4.83 0.00 -0.23 -4.67 105.19 107.24 3hac n GLY 220 Ca 0.17 0.00 -0.15 0.00 0.00 0.00 0.00 46.02 46.04 3hac n GLY 220 CO 0.00 0.00 0.00 -0.84 0.00 0.00 0.00 173.32 172.48 3hac h THR 221 N 0.00 0.60 -2.96 2.61 2.02 -1.94 -3.45 112.91 109.79 3hac h THR 221 Ca 0.00 -0.12 -0.66 0.00 0.77 0.00 0.00 66.41 66.40 3hac h THR 221 Cb 0.00 0.66 -0.09 0.00 -1.74 0.00 0.00 68.15 66.99 3hac h THR 221 CO 0.00 0.02 -0.54 -0.36 0.37 0.00 0.00 175.52 175.01 3hac s PHE 222 N -5.82 3.40 -0.28 3.16 0.08 -1.26 -1.16 117.98 116.10 3hac s PHE 222 Ca -0.16 0.31 -0.01 0.00 0.12 0.00 0.00 56.93 57.20 3hac s PHE 222 Cb 0.04 -1.81 0.05 0.00 -0.57 0.00 0.00 43.02 40.73 3hac s PHE 222 CO 0.62 0.60 -0.04 -1.17 -0.10 0.00 0.00 175.22 175.13 3hac s LEU 223 N -1.52 3.59 0.19 -0.37 2.96 -0.30 -0.09 118.68 123.13 3hac s LEU 223 Ca 0.21 -1.18 -0.14 0.00 -0.22 0.00 0.00 54.13 52.79 3hac s LEU 223 Cb -0.12 -1.66 -0.07 0.00 0.50 0.00 0.00 46.19 44.83 3hac s LEU 223 CO 0.11 -0.21 0.60 0.00 -1.32 0.00 0.00 176.35 175.53 3hac s ALA 224 N 1.24 3.52 0.04 5.97 0.00 0.14 -1.01 121.76 131.67 3hac s ALA 224 Ca -0.04 -0.09 -0.20 0.00 0.00 0.00 0.00 51.96 51.62 3hac s ALA 224 Cb -0.19 -2.58 0.04 0.00 0.00 0.00 0.00 23.12 20.40 3hac s ALA 224 CO -0.03 0.43 0.46 1.52 0.00 0.00 0.00 175.76 178.14 3hac s TYR 225 N -1.59 -0.34 0.15 0.00 1.13 0.01 0.02 117.35 116.73 3hac s TYR 225 Ca 0.42 0.34 0.04 0.00 -1.41 0.00 0.00 57.07 56.46 3hac s TYR 225 Cb -0.14 0.27 -0.04 0.00 -1.10 0.00 0.00 41.96 40.95 3hac s TYR 225 CO 0.20 -0.60 0.18 0.00 -2.51 0.00 0.00 175.55 172.81 3hac s ALA 226 N -2.42 3.70 -0.11 9.51 0.00 -0.86 -0.70 121.76 130.89 3hac s ALA 226 Ca -0.06 -1.12 0.02 0.00 0.00 0.00 0.00 51.96 50.80 3hac s ALA 226 Cb -0.01 -1.51 0.02 0.00 0.00 0.00 0.00 23.12 21.61 3hac s ALA 226 CO -0.02 0.55 -0.14 -1.14 0.00 0.00 0.00 175.76 175.01 3hac s GLN 227 N -3.04 2.09 -0.10 0.00 0.74 0.31 -1.04 119.66 118.62 3hac s GLN 227 Ca 0.32 -0.51 -0.03 0.00 0.05 0.00 0.00 55.36 55.19 3hac s GLN 227 Cb -0.11 -1.81 -0.03 0.00 1.10 0.00 0.00 33.01 32.16 3hac s GLN 227 CO 0.25 -0.08 0.02 -0.06 -0.55 0.00 0.00 175.29 174.87 3hac s PHE 228 N 1.04 3.20 -0.26 1.67 0.08 0.12 -1.20 117.98 122.64 3hac s PHE 228 Ca -0.06 0.19 0.02 0.00 0.12 0.00 0.00 56.93 57.20 3hac s PHE 228 Cb -0.15 -1.84 0.05 0.00 -0.57 0.00 0.00 43.02 40.52 3hac s PHE 228 CO -0.02 0.44 -0.10 1.21 -0.10 0.00 0.00 175.22 176.65 3hac s ASN 229 N -0.72 4.37 -0.15 1.36 3.84 -0.19 -0.87 114.94 122.59 3hac s ASN 229 Ca 0.11 -1.28 0.16 0.00 0.21 0.00 0.00 52.86 52.06 3hac s ASN 229 Cb -0.12 -1.57 0.60 0.00 -0.55 0.00 0.00 41.25 39.62 3hac s ASN 229 CO 0.02 -0.18 1.52 0.47 -2.79 0.00 0.00 177.10 176.14 3hac n ASP 230 N 4.49 4.34 -0.31 -4.21 9.92 0.74 -1.58 116.55 129.94 3hac n ASP 230 Ca -0.15 -2.70 0.06 0.00 -0.53 0.00 0.00 54.79 51.48 3hac n ASP 230 Cb 0.43 -0.53 0.16 0.00 -0.64 0.00 0.00 41.12 40.54 3hac n ASP 230 CO 0.00 0.00 0.00 0.74 0.13 0.00 0.00 177.20 178.07 3hac h THR 231 N 2.87 0.15 -0.47 -3.53 2.02 -1.85 -1.29 112.91 110.81 3hac h THR 231 Ca 0.00 -0.01 0.00 0.00 0.77 0.00 0.00 66.41 67.17 3hac h THR 231 Cb 1.45 0.12 0.00 0.00 -1.74 0.00 0.00 68.15 67.98 3hac h THR 231 CO 0.25 0.00 0.00 -0.62 0.37 0.00 0.00 175.52 175.52 3hac n GLU 232 N -5.50 3.25 -2.64 6.66 1.02 -1.26 -4.94 120.64 117.22 3hac n GLU 232 Ca 0.15 -2.62 -0.42 0.00 -0.02 0.00 0.00 57.16 54.26 3hac n GLU 232 Cb 0.52 -1.68 -0.03 0.00 -0.02 0.00 0.00 31.44 30.23 3hac n GLU 232 CO 0.00 0.00 0.00 0.08 1.18 0.00 0.00 177.13 178.39 3hac s VAL 233 N -1.79 4.68 0.73 2.62 1.01 -0.49 -4.66 120.40 122.49 3hac s VAL 233 Ca 0.40 1.93 -0.12 0.00 0.00 0.00 0.00 61.98 64.20 3hac s VAL 233 Cb 0.27 -4.24 0.03 0.00 0.00 0.00 0.00 36.38 32.44 3hac s VAL 233 CO 0.18 0.11 1.09 -2.84 0.00 0.00 0.00 175.10 173.65 3hac s PRO 234 N 1.30 2.53 -0.14 2.72 0.02 -1.26 -4.71 135.00 135.46 3hac s PRO 234 Ca 0.53 1.20 -0.06 0.00 0.02 0.00 0.00 61.00 62.69 3hac s PRO 234 Cb -0.22 -1.93 -0.04 0.00 0.02 0.00 0.00 34.50 32.33 3hac s PRO 234 CO 0.26 -1.44 0.05 -0.51 -0.33 0.00 0.00 177.00 175.03 3hac s LEU 235 N -5.54 3.80 0.14 -5.54 1.02 -1.26 -1.22 118.68 110.09 3hac s LEU 235 Ca 0.62 0.15 -0.30 0.00 0.02 0.00 0.00 54.13 54.62 3hac s LEU 235 Cb -0.18 -1.93 -0.07 0.00 0.02 0.00 0.00 46.19 44.04 3hac s LEU 235 CO 0.51 0.27 0.99 -0.51 0.02 0.00 0.00 176.35 177.63 3hac s ILE 236 N -0.21 4.29 -0.04 -0.59 1.10 -0.39 -4.87 121.20 120.49 3hac s ILE 236 Ca 0.07 1.96 0.05 0.00 -0.51 0.00 0.00 60.65 62.23 3hac s ILE 236 Cb -0.12 -4.25 -0.01 0.00 0.15 0.00 0.00 42.46 38.23 3hac s ILE 236 CO 0.02 0.33 -0.21 -1.61 -2.11 0.00 0.00 174.94 171.36 3hac s GLU 237 N -0.24 2.05 0.08 3.50 2.02 -1.26 -1.32 118.70 123.53 3hac s GLU 237 Ca 0.47 -0.74 -0.17 0.00 0.02 0.00 0.00 54.97 54.55 3hac s GLU 237 Cb -0.25 -1.79 0.03 0.00 0.10 0.00 0.00 34.13 32.23 3hac s GLU 237 CO 0.31 0.33 0.40 1.52 0.02 0.00 0.00 175.26 177.84 3hac s TYR 238 N -0.12 -0.22 0.33 1.61 1.13 -0.68 -4.98 117.35 114.42 3hac s TYR 238 Ca -0.02 0.04 -0.25 0.00 -1.41 0.00 0.00 57.07 55.44 3hac s TYR 238 Cb -0.12 0.22 -0.10 0.00 -1.10 0.00 0.00 41.96 40.87 3hac s TYR 238 CO 0.02 -0.62 0.92 -1.12 -2.51 0.00 0.00 175.55 172.24 3hac s SER 239 N -2.38 7.26 -0.09 -0.18 0.01 -1.26 0.12 113.70 117.17 3hac s SER 239 Ca -0.01 1.78 0.01 0.00 1.31 0.00 0.00 55.95 59.04 3hac s SER 239 Cb 0.01 -2.56 0.02 0.00 0.21 0.00 0.00 66.02 63.69 3hac s SER 239 CO -0.07 -0.09 -0.12 0.12 0.41 0.00 0.00 173.24 173.49 3hac s PHE 240 N -1.67 1.62 -0.05 2.43 5.36 0.14 -4.66 117.98 121.15 3hac s PHE 240 Ca 0.51 -0.72 0.06 0.00 -0.96 0.00 0.00 56.93 55.82 3hac s PHE 240 Cb -0.17 -1.23 -0.24 0.00 -0.34 0.00 0.00 43.02 41.04 3hac s PHE 240 CO 0.22 -0.42 0.65 1.88 -1.46 0.00 0.00 175.22 176.10 3hac h TYR 241 N 7.50 0.16 -0.86 10.12 -1.99 -1.96 -1.07 116.97 128.86 3hac h TYR 241 Ca -0.31 -0.12 0.00 0.00 2.00 0.00 0.00 58.73 60.30 3hac h TYR 241 Cb 1.16 -0.01 0.00 0.00 2.00 0.00 0.00 36.73 39.89 3hac h TYR 241 CO 0.48 1.23 0.00 0.45 -0.00 0.00 0.00 178.16 180.32 3hac n SER 242 N -3.21 -2.58 -4.73 3.88 2.88 -1.26 -4.74 113.62 103.86 3hac n SER 242 Ca -0.19 0.00 -0.32 0.00 -1.33 0.00 0.00 58.87 57.02 3hac n SER 242 Cb 1.04 0.00 0.11 0.00 -0.75 0.00 0.00 64.21 64.61 3hac n SER 242 CO 0.00 0.00 0.00 -1.81 -1.23 0.00 0.00 175.04 172.00 3hac s ASP 243 N -4.00 4.06 0.49 -3.46 1.01 -1.26 -4.90 116.67 108.61 3hac s ASP 243 Ca 0.00 2.10 0.24 0.00 0.71 0.00 0.00 52.55 55.60 3hac s ASP 243 Cb 0.00 -2.56 1.29 0.00 1.01 0.00 0.00 42.92 42.66 3hac s ASP 243 CO 0.00 -2.34 1.91 -0.08 0.21 0.00 0.00 175.17 174.87 3hac h GLU 244 N -0.94 0.16 -0.02 8.23 4.81 -2.05 -1.39 114.58 123.38 3hac h GLU 244 Ca -0.45 -0.01 0.01 0.00 -0.13 0.00 0.00 59.36 58.78 3hac h GLU 244 Cb 1.26 -0.04 -0.00 0.00 0.63 0.00 0.00 28.75 30.60 3hac h GLU 244 CO 0.48 0.11 0.03 0.66 -0.73 0.00 0.00 179.01 179.56 3hac h SER 245 N 0.17 0.00 -3.19 1.04 4.64 -1.94 -3.42 113.55 110.85 3hac h SER 245 Ca 0.38 0.00 -0.57 0.00 -0.47 0.00 0.00 61.79 61.13 3hac h SER 245 Cb 1.25 0.00 -0.06 0.00 -0.31 0.00 0.00 62.40 63.29 3hac h SER 245 CO -0.07 0.00 0.90 -0.22 -0.87 0.00 0.00 176.83 176.58 3hac s LEU 246 N -7.38 3.94 0.06 5.97 2.96 -0.53 -4.92 118.68 118.79 3hac s LEU 246 Ca -0.05 1.19 -0.17 0.00 -0.22 0.00 0.00 54.13 54.88 3hac s LEU 246 Cb 0.15 -3.54 -0.14 0.00 0.50 0.00 0.00 46.19 43.16 3hac s LEU 246 CO 0.52 -0.95 1.33 -0.61 -1.32 0.00 0.00 176.35 175.32 3hac h GLN 247 N 8.59 0.55 -5.29 1.98 4.15 -1.89 -3.43 115.11 119.78 3hac h GLN 247 Ca -0.23 -0.35 -0.65 0.00 0.77 0.00 0.00 58.65 58.18 3hac h GLN 247 Cb 1.08 0.04 -0.26 0.00 0.21 0.00 0.00 27.48 28.55 3hac h GLN 247 CO 1.03 0.96 -0.74 0.71 -1.93 0.00 0.00 178.83 178.85 3hac s TYR 248 N -4.07 2.86 0.64 3.99 2.02 -1.26 -5.11 117.35 116.42 3hac s TYR 248 Ca -0.13 -0.60 -0.18 0.00 -0.37 0.00 0.00 57.07 55.79 3hac s TYR 248 Cb 0.07 -1.88 -0.01 0.00 -0.40 0.00 0.00 41.96 39.73 3hac s TYR 248 CO 0.81 -0.20 1.30 -2.14 -1.57 0.00 0.00 175.55 173.75 3hac s PRO 249 N 0.43 2.61 0.10 -1.71 0.02 -1.26 -5.00 135.00 130.19 3hac s PRO 249 Ca -0.08 2.09 -0.12 0.00 0.02 0.00 0.00 61.00 62.90 3hac s PRO 249 Cb -0.15 -1.88 -0.06 0.00 0.02 0.00 0.00 34.50 32.42 3hac s PRO 249 CO 0.04 -1.56 0.46 0.21 -0.33 0.00 0.00 177.00 175.82 3hac s LYS 250 N -3.33 3.86 -0.32 5.54 2.20 -0.41 -4.90 119.74 122.38 3hac s LYS 250 Ca 0.82 0.32 -0.12 0.00 -0.36 0.00 0.00 55.97 56.62 3hac s LYS 250 Cb -0.38 -2.98 -0.03 0.00 -1.51 0.00 0.00 37.83 32.93 3hac s LYS 250 CO 0.41 0.53 0.22 0.99 -0.36 0.00 0.00 175.35 177.14 3hac s THR 251 N -1.41 5.28 0.06 3.43 2.01 -1.26 0.28 115.64 124.03 3hac s THR 251 Ca 0.34 -0.10 -0.26 0.00 0.31 0.00 0.00 61.69 61.99 3hac s THR 251 Cb -0.15 -3.65 -0.06 0.00 0.01 0.00 0.00 72.50 68.66 3hac s THR 251 CO 0.18 0.08 0.81 -0.69 -0.69 0.00 0.00 174.62 174.31 3hac s VAL 252 N 1.73 4.67 -0.14 3.82 1.01 0.12 -4.90 120.40 126.71 3hac s VAL 252 Ca 0.06 1.73 -0.00 0.00 0.00 0.00 0.00 61.98 63.77 3hac s VAL 252 Cb -0.17 -4.16 0.03 0.00 0.00 0.00 0.00 36.38 32.08 3hac s VAL 252 CO 0.11 0.36 -0.08 -0.13 0.00 0.00 0.00 175.10 175.35 3hac s ARG 253 N -0.06 1.69 -0.09 2.72 0.52 -1.26 -1.68 118.95 120.78 3hac s ARG 253 Ca 0.40 -0.42 0.02 0.00 -0.52 0.00 0.00 55.73 55.21 3hac s ARG 253 Cb -0.21 -1.85 0.01 0.00 0.52 0.00 0.00 34.95 33.42 3hac s ARG 253 CO 0.25 -0.32 -0.14 0.08 0.02 0.00 0.00 175.30 175.19 3hac s VAL 254 N 1.63 1.34 -0.05 3.52 1.01 -0.43 -4.97 120.40 122.45 3hac s VAL 254 Ca 0.03 -0.57 -0.30 0.00 0.00 0.00 0.00 61.98 61.15 3hac s VAL 254 Cb -0.14 -1.23 -0.07 0.00 0.00 0.00 0.00 36.38 34.95 3hac s VAL 254 CO -0.09 0.41 1.82 -2.84 0.00 0.00 0.00 175.10 174.40 3hac s PRO 255 N 0.86 4.04 -0.23 2.72 0.02 -1.26 -1.26 135.00 139.90 3hac s PRO 255 Ca -0.10 2.30 -0.03 0.00 0.02 0.00 0.00 61.00 63.18 3hac s PRO 255 Cb -0.15 -4.09 0.12 0.00 0.02 0.00 0.00 34.50 30.40 3hac s PRO 255 CO 0.01 -1.04 0.37 -0.47 -0.33 0.00 0.00 177.00 175.54 3hac s TYR 256 N 4.67 -0.77 -0.37 6.54 6.14 -0.36 -4.47 117.35 128.73 3hac s TYR 256 Ca 0.81 0.89 -0.25 0.00 0.64 0.00 0.00 57.07 59.16 3hac s TYR 256 Cb -0.36 0.03 0.01 0.00 0.42 0.00 0.00 41.96 42.06 3hac s TYR 256 CO 0.35 -0.67 0.87 -1.25 0.64 0.00 0.00 175.55 175.49 3hac s PRO 257 N 2.54 3.80 0.82 4.97 0.04 -1.26 -4.50 135.00 141.40 3hac s PRO 257 Ca 0.10 0.46 -0.12 0.00 0.04 0.00 0.00 61.00 61.49 3hac s PRO 257 Cb -0.15 -3.81 0.08 0.00 0.04 0.00 0.00 34.50 30.67 3hac s PRO 257 CO -0.15 -0.92 1.14 0.15 0.04 0.00 0.00 177.00 177.26 3hac s LYS 258 N 3.33 1.89 0.01 4.56 1.02 -1.26 -0.60 119.74 128.69 3hac s LYS 258 Ca 0.35 0.34 -0.36 0.00 0.02 0.00 0.00 55.97 56.32 3hac s LYS 258 Cb -0.12 -1.92 -0.15 0.00 -0.52 0.00 0.00 37.83 35.11 3hac s LYS 258 CO 0.18 -1.69 1.55 0.00 -0.92 0.00 0.00 175.35 174.47 3hac n ALA 259 N -3.43 0.03 -0.26 5.17 0.00 -0.12 -1.18 120.51 120.72 3hac n ALA 259 Ca 0.07 0.44 0.00 0.00 0.00 0.00 0.00 53.44 53.95 3hac n ALA 259 Cb 0.59 -2.23 0.00 0.00 0.00 0.00 0.00 19.45 17.81 3hac n ALA 259 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3hac n GLY 260 N 3.33 1.79 3.92 0.00 0.00 -1.26 -4.84 105.19 108.14 3hac n GLY 260 Ca 0.20 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.94 3hac n GLY 260 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3hac s ALA 261 N -3.02 2.81 0.07 4.61 0.00 -0.32 -4.99 121.76 120.93 3hac s ALA 261 Ca 0.00 -0.89 -0.31 0.00 0.00 0.00 0.00 51.96 50.76 3hac s ALA 261 Cb 0.00 -2.75 -0.08 0.00 0.00 0.00 0.00 23.12 20.28 3hac s ALA 261 CO 0.00 -1.66 1.60 0.08 0.00 0.00 0.00 175.76 175.78 3hac s VAL 262 N -3.49 3.08 0.41 0.00 1.01 -1.26 -4.91 120.40 115.24 3hac s VAL 262 Ca 0.64 0.57 -0.04 0.00 0.00 0.00 0.00 61.98 63.15 3hac s VAL 262 Cb -0.09 -3.37 -0.04 0.00 0.00 0.00 0.00 36.38 32.88 3hac s VAL 262 CO 0.48 0.01 0.68 0.20 0.00 0.00 0.00 175.10 176.47 3hac s ASN 263 N 2.14 6.30 0.70 3.32 0.02 -1.26 -4.38 114.94 121.78 3hac s ASN 263 Ca 0.72 0.76 -0.15 0.00 -1.02 0.00 0.00 52.86 53.16 3hac s ASN 263 Cb -0.39 -2.17 0.02 0.00 0.02 0.00 0.00 41.25 38.73 3hac s ASN 263 CO 0.31 -0.44 1.19 -2.16 0.02 0.00 0.00 177.10 176.03 3hac s PRO 264 N -4.44 2.35 0.32 -0.60 0.04 -1.26 -4.78 135.00 126.62 3hac s PRO 264 Ca 0.45 1.71 0.07 0.00 0.04 0.00 0.00 61.00 63.27 3hac s PRO 264 Cb -0.10 -1.86 -0.02 0.00 0.04 0.00 0.00 34.50 32.55 3hac s PRO 264 CO 0.40 -1.66 0.34 0.95 0.04 0.00 0.00 177.00 177.06 3hac s THR 265 N -1.99 3.94 0.01 1.26 -4.23 -0.61 -4.93 115.64 109.09 3hac s THR 265 Ca 0.74 -1.24 0.00 0.00 -1.18 0.00 0.00 61.69 60.01 3hac s THR 265 Cb -0.28 -3.33 -0.01 0.00 1.34 0.00 0.00 72.50 70.22 3hac s THR 265 CO 0.43 -0.20 -0.03 0.54 -0.54 0.00 0.00 174.62 174.82 3hac s VAL 266 N -2.22 0.16 0.09 2.29 0.11 -1.26 -1.02 120.40 118.55 3hac s VAL 266 Ca 0.41 -0.55 0.02 0.00 -2.93 0.00 0.00 61.98 58.93 3hac s VAL 266 Cb -0.07 -0.23 -0.04 0.00 -1.53 0.00 0.00 36.38 34.51 3hac s VAL 266 CO 0.28 -0.25 -0.08 -0.54 -3.33 0.00 0.00 175.10 171.18 3hac s LYS 267 N -0.84 0.77 -0.04 1.54 1.02 -0.34 -4.98 119.74 116.87 3hac s LYS 267 Ca -0.08 -1.16 0.03 0.00 0.02 0.00 0.00 55.97 54.78 3hac s LYS 267 Cb -0.06 -0.31 0.00 0.00 -0.52 0.00 0.00 37.83 36.94 3hac s LYS 267 CO -0.00 0.02 -0.13 0.12 -0.92 0.00 0.00 175.35 174.44 3hac s PHE 268 N -2.82 1.37 0.10 3.18 5.36 -1.26 -0.53 117.98 123.37 3hac s PHE 268 Ca 0.05 -0.40 0.03 0.00 -0.96 0.00 0.00 56.93 55.65 3hac s PHE 268 Cb -0.00 -0.95 -0.04 0.00 -0.34 0.00 0.00 43.02 41.69 3hac s PHE 268 CO -0.02 -0.16 -0.08 -0.06 -1.46 0.00 0.00 175.22 173.43 3hac s PHE 269 N 0.21 0.97 -0.04 10.12 0.40 0.12 -1.35 117.98 128.41 3hac s PHE 269 Ca -0.05 -0.76 0.02 0.00 -0.60 0.00 0.00 56.93 55.53 3hac s PHE 269 Cb -0.11 -0.54 0.02 0.00 0.51 0.00 0.00 43.02 42.90 3hac s PHE 269 CO 0.02 -0.06 -0.07 0.08 0.70 0.00 0.00 175.22 175.89 3hac s VAL 270 N -2.92 0.69 -0.04 -0.44 1.01 0.30 -0.81 120.40 118.19 3hac s VAL 270 Ca 0.08 -0.24 0.06 0.00 0.00 0.00 0.00 61.98 61.88 3hac s VAL 270 Cb 0.00 -0.66 -0.02 0.00 0.00 0.00 0.00 36.38 35.70 3hac s VAL 270 CO -0.02 0.25 -0.22 0.54 0.00 0.00 0.00 175.10 175.65 3hac s VAL 271 N 0.66 2.37 -0.49 2.92 0.11 -0.18 -0.30 120.40 125.49 3hac s VAL 271 Ca -0.10 -0.98 -0.27 0.00 -2.93 0.00 0.00 61.98 57.70 3hac s VAL 271 Cb -0.13 -1.87 0.03 0.00 -1.53 0.00 0.00 36.38 32.88 3hac s VAL 271 CO 0.01 0.58 1.01 0.21 -3.33 0.00 0.00 175.10 173.58 3hac s ASN 272 N -0.56 6.52 0.00 3.54 3.84 -1.26 -1.15 114.94 125.86 3hac s ASN 272 Ca 0.08 0.17 0.29 0.00 0.21 0.00 0.00 52.86 53.61 3hac s ASN 272 Cb -0.11 -2.49 1.30 0.00 -0.55 0.00 0.00 41.25 39.41 3hac s ASN 272 CO 0.00 -1.17 1.95 0.35 -2.79 0.00 0.00 177.10 175.45 3hac n THR 273 N 6.55 0.00 0.60 -5.21 -2.24 -0.30 -3.09 114.28 110.59 3hac n THR 273 Ca 0.08 -0.00 0.12 0.00 -2.27 0.00 0.00 64.05 61.98 3hac n THR 273 Cb 0.49 -0.46 0.26 0.00 -2.10 0.00 0.00 70.33 68.52 3hac n THR 273 CO 0.00 0.00 0.00 0.47 -0.57 0.00 0.00 175.07 174.97 3hac n ASP 274 N -1.42 0.74 -0.92 3.42 8.00 -1.25 -4.06 116.55 121.06 3hac n ASP 274 Ca 0.09 0.29 -0.01 0.00 0.71 0.00 0.00 54.79 55.88 3hac n ASP 274 Cb 0.31 -0.20 0.18 0.00 -0.02 0.00 0.00 41.12 41.38 3hac n ASP 274 CO 0.00 0.00 0.00 -1.54 -0.39 0.00 0.00 177.20 175.27 3hac n SER 275 N -2.15 2.36 -4.79 -2.24 3.41 -1.18 -5.04 113.62 103.99 3hac n SER 275 Ca 0.04 -3.87 -0.35 0.00 -0.26 0.00 0.00 58.87 54.44 3hac n SER 275 Cb 0.43 -0.53 -0.02 0.00 -0.26 0.00 0.00 64.21 63.83 3hac n SER 275 CO 0.00 0.00 0.00 -0.76 -0.16 0.00 0.00 175.04 174.12 3hac s LEU 276 N -3.30 3.85 0.00 1.04 1.43 -1.25 -5.01 118.68 115.44 3hac s LEU 276 Ca 0.41 2.04 0.03 0.00 -1.03 0.00 0.00 54.13 55.58 3hac s LEU 276 Cb 0.38 -4.52 -0.01 0.00 0.03 0.00 0.00 46.19 42.08 3hac s LEU 276 CO -0.04 -0.90 -0.10 -0.55 0.23 0.00 0.00 176.35 174.99 3hac s SER 277 N -1.84 1.13 0.54 2.29 0.15 -1.26 -5.02 113.70 109.69 3hac s SER 277 Ca 0.68 -0.23 0.34 0.00 0.70 0.00 0.00 55.95 57.45 3hac s SER 277 Cb -0.20 -0.11 1.44 0.00 -1.71 0.00 0.00 66.02 65.45 3hac s SER 277 CO 0.24 0.08 2.00 0.28 1.20 0.00 0.00 173.24 177.04 3hac h SER 278 N 5.71 0.00 0.18 5.45 0.02 -2.00 -3.29 113.55 119.62 3hac h SER 278 Ca -0.32 0.00 -0.35 0.00 -0.84 0.00 0.00 61.79 60.28 3hac h SER 278 Cb 1.18 0.00 -0.05 0.00 0.14 0.00 0.00 62.40 63.67 3hac h SER 278 CO 0.48 0.00 -2.10 0.52 -1.14 0.00 0.00 176.83 174.59 3hac n VAL 279 N -3.04 1.57 -4.94 2.27 0.31 -1.26 -4.97 118.33 108.28 3hac n VAL 279 Ca 0.00 -0.74 -0.29 0.00 -0.01 0.00 0.00 64.34 63.30 3hac n VAL 279 Cb 0.28 -1.13 -0.15 0.00 -0.91 0.00 0.00 33.84 31.93 3hac n VAL 279 CO 0.00 0.00 0.00 -0.89 -1.32 0.00 0.00 176.83 174.62 3hac s THR 280 N -2.55 2.03 0.45 2.52 2.01 -1.24 -5.12 115.64 113.74 3hac s THR 280 Ca -0.16 -1.29 -0.25 0.00 0.31 0.00 0.00 61.69 60.30 3hac s THR 280 Cb 0.07 -1.73 -0.08 0.00 0.01 0.00 0.00 72.50 70.78 3hac s THR 280 CO 0.77 0.38 1.37 0.20 -0.69 0.00 0.00 174.62 176.65 3hac s ASN 281 N -1.09 5.96 0.43 3.53 0.01 -1.26 -4.32 114.94 118.20 3hac s ASN 281 Ca 0.11 2.79 -0.25 0.00 -0.71 0.00 0.00 52.86 54.79 3hac s ASN 281 Cb -0.10 -2.64 -0.08 0.00 0.41 0.00 0.00 41.25 38.84 3hac s ASN 281 CO 0.01 -1.10 1.30 0.00 -1.51 0.00 0.00 177.10 175.80 3hac s ALA 282 N -1.25 3.19 -0.33 0.60 0.00 -1.26 -4.97 121.76 117.74 3hac s ALA 282 Ca 0.61 1.23 -0.13 0.00 0.00 0.00 0.00 51.96 53.67 3hac s ALA 282 Cb -0.41 -3.49 -0.02 0.00 0.00 0.00 0.00 23.12 19.20 3hac s ALA 282 CO 0.52 -0.88 0.26 0.99 0.00 0.00 0.00 175.76 176.64 3hac s THR 283 N -1.29 5.27 -0.11 0.00 2.01 -1.26 -5.02 115.64 115.24 3hac s THR 283 Ca 0.59 -0.09 -0.15 0.00 0.31 0.00 0.00 61.69 62.35 3hac s THR 283 Cb -0.38 -3.70 -0.05 0.00 0.01 0.00 0.00 72.50 68.38 3hac s THR 283 CO 0.48 0.02 0.36 -0.44 -0.69 0.00 0.00 174.62 174.35 3hac s SER 284 N 1.73 6.60 -0.24 3.53 0.01 -1.26 -4.50 113.70 119.56 3hac s SER 284 Ca 0.07 0.71 -0.12 0.00 1.31 0.00 0.00 55.95 57.92 3hac s SER 284 Cb -0.17 -2.22 -0.05 0.00 0.21 0.00 0.00 66.02 63.79 3hac s SER 284 CO 0.11 0.15 0.25 -0.63 0.41 0.00 0.00 173.24 173.53 3hac s ILE 285 N 0.02 5.29 0.18 1.44 -1.09 0.59 -4.89 121.20 122.74 3hac s ILE 285 Ca 0.21 0.36 -0.27 0.00 -2.23 0.00 0.00 60.65 58.71 3hac s ILE 285 Cb -0.14 -3.59 -0.08 0.00 -1.58 0.00 0.00 42.46 37.07 3hac s ILE 285 CO 0.08 0.28 0.86 -1.58 -1.23 0.00 0.00 174.94 173.34 3hac s GLN 286 N 1.39 4.68 -0.28 2.79 0.74 -1.26 -0.54 119.66 127.19 3hac s GLN 286 Ca 0.11 1.30 -0.04 0.00 0.05 0.00 0.00 55.36 56.78 3hac s GLN 286 Cb -0.15 -3.29 0.02 0.00 1.10 0.00 0.00 33.01 30.69 3hac s GLN 286 CO 0.07 0.49 0.02 0.42 -0.55 0.00 0.00 175.29 175.74 3hac s ILE 287 N -0.94 3.45 0.40 -2.34 1.01 -0.46 -4.87 121.20 117.46 3hac s ILE 287 Ca 0.39 -0.90 -0.15 0.00 0.00 0.00 0.00 60.65 59.99 3hac s ILE 287 Cb -0.24 -2.79 -0.08 0.00 0.01 0.00 0.00 42.46 39.35 3hac s ILE 287 CO 0.28 0.10 0.84 0.42 0.00 0.00 0.00 174.94 176.58 3hac s THR 288 N 1.41 4.62 0.64 2.92 -4.23 -1.26 -4.21 115.64 115.53 3hac s THR 288 Ca 0.01 1.02 -0.17 0.00 -1.18 0.00 0.00 61.69 61.37 3hac s THR 288 Cb -0.17 -3.66 -0.01 0.00 1.34 0.00 0.00 72.50 70.00 3hac s THR 288 CO -0.01 -0.40 1.16 0.00 -0.54 0.00 0.00 174.62 174.83 3hac s ALA 289 N -2.26 2.43 0.91 3.99 0.00 -1.26 -5.00 121.76 120.57 3hac s ALA 289 Ca 0.56 0.79 -0.10 0.00 0.00 0.00 0.00 51.96 53.21 3hac s ALA 289 Cb -0.10 -3.40 0.14 0.00 0.00 0.00 0.00 23.12 19.76 3hac s ALA 289 CO 0.23 -1.32 1.15 -1.25 0.00 0.00 0.00 175.76 174.57 3hac s PRO 290 N -3.72 1.06 0.32 0.00 0.04 -1.26 -4.72 135.00 126.72 3hac s PRO 290 Ca 0.72 1.57 0.02 0.00 0.04 0.00 0.00 61.00 63.35 3hac s PRO 290 Cb -0.26 -1.73 0.57 0.00 0.04 0.00 0.00 34.50 33.13 3hac s PRO 290 CO 0.38 -2.60 1.93 0.00 0.04 0.00 0.00 177.00 176.74 3hac h ALA 291 N -1.80 1.55 0.00 8.56 0.00 -1.99 -0.88 119.26 124.70 3hac h ALA 291 Ca -0.43 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.45 3hac h ALA 291 Cb 1.27 -0.26 0.00 0.00 0.00 0.00 0.00 17.79 18.80 3hac h ALA 291 CO 0.42 0.33 0.00 -1.13 0.00 0.00 0.00 179.25 178.87 3hac n SER 292 N -4.48 0.59 -0.11 0.00 3.41 -1.26 -2.26 113.62 109.51 3hac n SER 292 Ca 0.13 0.73 -0.20 0.00 -0.26 0.00 0.00 58.87 59.26 3hac n SER 292 Cb 0.19 -0.82 -0.12 0.00 -0.26 0.00 0.00 64.21 63.20 3hac n SER 292 CO 0.00 0.00 0.00 0.23 -0.16 0.00 0.00 175.04 175.11 3hac n MET 293 N -2.24 0.66 0.29 4.33 2.00 -0.39 -4.51 117.12 117.26 3hac n MET 293 Ca -0.00 0.20 0.20 0.00 0.00 0.00 0.00 57.70 58.09 3hac n MET 293 Cb 0.10 -1.56 1.00 0.00 0.00 0.00 0.00 33.22 32.76 3hac n MET 293 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 175.97 175.90 3hac h LEU 294 N -0.16 0.00 -2.65 4.03 3.38 -0.95 -2.86 115.31 116.10 3hac h LEU 294 Ca -0.56 0.00 -0.00 0.00 0.09 0.00 0.00 57.88 57.41 3hac h LEU 294 Cb 1.86 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 42.61 3hac h LEU 294 CO -0.11 0.00 -0.01 0.16 0.09 0.00 0.00 178.44 178.57 3hac h ILE 295 N 0.00 0.11 -1.27 1.22 3.07 -1.73 -3.46 117.51 115.45 3hac h ILE 295 Ca 0.00 -0.11 0.00 0.00 1.55 0.00 0.00 64.86 66.30 3hac h ILE 295 Cb 0.09 1.09 0.00 0.00 -0.27 0.00 0.00 36.82 37.73 3hac h ILE 295 CO 0.00 0.01 0.00 0.61 -1.05 0.00 0.00 178.15 177.72 3hac n GLY 296 N -0.94 2.31 3.77 0.16 0.00 -1.08 -5.14 105.19 104.26 3hac n GLY 296 Ca -0.02 -0.84 -0.40 0.00 0.00 0.00 0.00 46.02 44.76 3hac n GLY 296 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 3hac s ASP 297 N 0.76 5.97 0.31 1.61 1.01 -1.26 -4.95 116.67 120.11 3hac s ASP 297 Ca 0.00 2.99 -0.17 0.00 0.71 0.00 0.00 52.55 56.08 3hac s ASP 297 Cb 0.00 -2.66 0.02 0.00 1.01 0.00 0.00 42.92 41.29 3hac s ASP 297 CO 0.00 -1.12 0.67 -1.38 0.21 0.00 0.00 175.17 173.55 3hac s HIS 298 N -1.17 0.08 0.10 4.23 -3.43 -1.26 -1.59 115.29 112.24 3hac s HIS 298 Ca 0.59 -0.57 0.05 0.00 -0.80 0.00 0.00 55.06 54.33 3hac s HIS 298 Cb -0.45 0.59 -0.03 0.00 -1.43 0.00 0.00 32.58 31.25 3hac s HIS 298 CO 0.59 -1.27 -0.13 0.71 -2.00 0.00 0.00 174.74 172.64 3hac s TYR 299 N -3.46 1.23 -0.21 0.38 2.02 0.12 -4.83 117.35 112.59 3hac s TYR 299 Ca 0.16 -0.55 -0.18 0.00 -0.37 0.00 0.00 57.07 56.12 3hac s TYR 299 Cb -0.04 -0.67 -0.03 0.00 -0.40 0.00 0.00 41.96 40.82 3hac s TYR 299 CO 0.09 0.07 0.52 -1.17 -1.57 0.00 0.00 175.55 173.50 3hac s LEU 300 N -2.21 4.13 -0.00 -1.29 2.96 -1.26 -0.47 118.68 120.54 3hac s LEU 300 Ca 0.04 0.65 0.02 0.00 -0.22 0.00 0.00 54.13 54.61 3hac s LEU 300 Cb -0.06 -2.70 -0.02 0.00 0.50 0.00 0.00 46.19 43.91 3hac s LEU 300 CO 0.02 -0.21 0.06 0.00 -1.32 0.00 0.00 176.35 174.90 3hac s ASP 302 N -1.45 -0.56 -0.07 0.00 -1.08 -1.08 -4.88 116.67 107.56 3hac s ASP 302 Ca 0.00 0.96 -0.01 0.00 -0.52 0.00 0.00 52.55 52.98 3hac s ASP 302 Cb 0.01 0.97 0.03 0.00 -1.46 0.00 0.00 42.92 42.46 3hac s ASP 302 CO 0.07 -0.29 -0.02 -0.69 0.52 0.00 0.00 175.17 174.75 3hac s VAL 303 N -0.11 0.54 -0.11 1.11 1.01 -1.26 -1.16 120.40 120.42 3hac s VAL 303 Ca -0.03 -0.02 -0.04 0.00 0.00 0.00 0.00 61.98 61.90 3hac s VAL 303 Cb -0.03 -0.64 0.05 0.00 0.00 0.00 0.00 36.38 35.76 3hac s VAL 303 CO 0.03 0.27 0.13 -0.89 0.00 0.00 0.00 175.10 174.64 3hac s THR 304 N 1.65 -0.20 0.24 3.92 2.01 -0.42 -5.03 115.64 117.81 3hac s THR 304 Ca 0.01 0.17 -0.30 0.00 0.31 0.00 0.00 61.69 61.89 3hac s THR 304 Cb -0.13 -0.39 -0.09 0.00 0.01 0.00 0.00 72.50 71.90 3hac s THR 304 CO -0.04 -0.00 1.29 0.26 -0.69 0.00 0.00 174.62 175.43 3hac s TRP 305 N 2.24 3.24 -0.24 4.92 0.52 -1.26 -0.80 118.94 127.55 3hac s TRP 305 Ca 0.04 1.32 -0.14 0.00 0.02 0.00 0.00 56.10 57.34 3hac s TRP 305 Cb -0.14 -3.59 -0.17 0.00 -1.15 0.00 0.00 33.47 28.43 3hac s TRP 305 CO -0.07 -1.73 -0.07 0.00 0.02 0.00 0.00 176.95 175.10 3hac n ALA 306 N 2.00 1.05 -3.07 0.98 0.00 0.10 -4.88 120.51 116.70 3hac n ALA 306 Ca 0.04 -0.84 -0.01 0.00 0.00 0.00 0.00 53.44 52.62 3hac n ALA 306 Cb 0.43 -0.22 -0.00 0.00 0.00 0.00 0.00 19.45 19.65 3hac n ALA 306 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.50 177.75 3hac n THR 307 N -4.10 0.00 0.28 0.00 -2.24 -0.73 -4.58 114.28 102.91 3hac n THR 307 Ca -0.44 -0.13 0.15 0.00 -2.27 0.00 0.00 64.05 61.36 3hac n THR 307 Cb 0.85 0.07 0.80 0.00 -2.10 0.00 0.00 70.33 69.95 3hac n THR 307 CO 0.00 0.00 0.00 1.56 -0.57 0.00 0.00 175.07 176.06 3hac h GLN 308 N 0.00 0.00 0.00 -0.78 1.08 -1.97 -3.22 115.11 110.22 3hac h GLN 308 Ca -0.01 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.19 3hac h GLN 308 Cb 0.07 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 27.50 3hac h GLN 308 CO 0.02 0.08 -0.11 0.39 -0.95 0.00 0.00 178.83 178.26 3hac n GLU 309 N -3.48 1.05 -4.04 1.46 1.02 -1.26 -4.87 120.64 110.53 3hac n GLU 309 Ca -0.02 -1.27 -0.23 0.00 -0.02 0.00 0.00 57.16 55.63 3hac n GLU 309 Cb 0.22 -0.82 -0.17 0.00 -0.02 0.00 0.00 31.44 30.65 3hac n GLU 309 CO 0.00 0.00 0.00 0.50 1.18 0.00 0.00 177.13 178.81 3hac s ARG 310 N -0.80 1.01 -0.02 3.49 3.52 -1.21 -0.66 118.95 124.27 3hac s ARG 310 Ca 0.06 -0.11 0.06 0.00 -0.13 0.00 0.00 55.73 55.62 3hac s ARG 310 Cb 0.05 -1.10 -0.02 0.00 -1.56 0.00 0.00 34.95 32.33 3hac s ARG 310 CO 0.01 -0.17 -0.22 -1.50 -0.81 0.00 0.00 175.30 172.60 3hac s ILE 311 N 1.37 1.73 -0.03 4.11 2.07 -0.22 0.01 121.20 130.23 3hac s ILE 311 Ca -0.03 -0.93 0.01 0.00 -1.41 0.00 0.00 60.65 58.29 3hac s ILE 311 Cb -0.13 -1.44 -0.03 0.00 0.13 0.00 0.00 42.46 40.98 3hac s ILE 311 CO -0.03 0.49 -0.02 -0.94 -1.91 0.00 0.00 174.94 172.53 3hac s SER 312 N -0.43 5.01 0.02 4.50 1.04 0.02 -0.71 113.70 123.14 3hac s SER 312 Ca 0.06 0.00 0.04 0.00 0.48 0.00 0.00 55.95 56.54 3hac s SER 312 Cb -0.09 -1.31 -0.01 0.00 0.10 0.00 0.00 66.02 64.71 3hac s SER 312 CO -0.00 0.31 -0.12 -0.76 0.98 0.00 0.00 173.24 173.65 3hac s LEU 313 N -1.30 2.10 -0.07 2.42 1.43 -0.62 -1.30 118.68 121.34 3hac s LEU 313 Ca 0.17 -0.33 0.03 0.00 -1.03 0.00 0.00 54.13 52.97 3hac s LEU 313 Cb -0.11 -0.55 -0.02 0.00 0.03 0.00 0.00 46.19 45.54 3hac s LEU 313 CO 0.07 0.07 -0.17 -1.10 0.23 0.00 0.00 176.35 175.44 3hac s GLN 314 N -0.72 2.74 0.10 1.70 -0.21 -0.30 -0.59 119.66 122.38 3hac s GLN 314 Ca 0.02 -0.76 0.07 0.00 0.02 0.00 0.00 55.36 54.71 3hac s GLN 314 Cb -0.06 -2.37 -0.04 0.00 1.00 0.00 0.00 33.01 31.54 3hac s GLN 314 CO 0.00 0.44 -0.10 -1.58 -2.12 0.00 0.00 175.29 171.94 3hac s TRP 315 N -0.28 2.74 -0.04 0.91 0.52 0.21 -0.40 118.94 122.60 3hac s TRP 315 Ca 0.01 -0.15 0.03 0.00 0.02 0.00 0.00 56.10 56.00 3hac s TRP 315 Cb -0.13 -1.44 0.01 0.00 -1.15 0.00 0.00 33.47 30.76 3hac s TRP 315 CO 0.03 0.42 -0.11 -1.17 0.02 0.00 0.00 176.95 176.14 3hac s LEU 316 N -2.17 1.71 0.65 2.99 2.96 0.38 -1.21 118.68 124.00 3hac s LEU 316 Ca 0.21 -0.25 -0.16 0.00 -0.22 0.00 0.00 54.13 53.71 3hac s LEU 316 Cb -0.11 -0.71 -0.01 0.00 0.50 0.00 0.00 46.19 45.86 3hac s LEU 316 CO 0.13 0.06 1.14 -0.13 -1.32 0.00 0.00 176.35 176.23 3hac s ARG 317 N 0.40 2.78 0.42 1.98 0.52 -0.62 0.14 118.95 124.56 3hac s ARG 317 Ca -0.08 1.54 0.08 0.00 -0.52 0.00 0.00 55.73 56.75 3hac s ARG 317 Cb -0.12 -1.93 0.90 0.00 0.52 0.00 0.00 34.95 34.32 3hac s ARG 317 CO 0.02 -1.30 2.06 -0.09 0.02 0.00 0.00 175.30 176.01 3hac h ARG 318 N 0.24 0.49 -6.03 3.54 2.43 -1.62 -3.11 114.38 110.32 3hac h ARG 318 Ca -0.48 -0.03 -0.57 0.00 -0.81 0.00 0.00 59.98 58.09 3hac h ARG 318 Cb 1.26 -0.11 -0.10 0.00 -0.42 0.00 0.00 29.97 30.60 3hac h ARG 318 CO 0.54 0.32 0.88 0.42 -1.51 0.00 0.00 179.97 180.62 3hac s ILE 319 N -5.46 3.94 -0.01 1.20 -1.09 -1.26 -4.81 121.20 113.71 3hac s ILE 319 Ca -0.08 0.12 0.00 0.00 -2.23 0.00 0.00 60.65 58.46 3hac s ILE 319 Cb 0.18 -4.84 0.01 0.00 -1.58 0.00 0.00 42.46 36.23 3hac s ILE 319 CO 0.73 -1.72 1.60 0.00 -1.23 0.00 0.00 174.94 174.32 3hac n GLN 320 N 8.78 1.02 -0.32 2.79 6.02 -1.18 -3.53 117.38 130.97 3hac n GLN 320 Ca 0.01 -0.05 0.07 0.00 -0.01 0.00 0.00 57.00 57.03 3hac n GLN 320 Cb 0.48 -1.02 0.23 0.00 1.02 0.00 0.00 30.24 30.94 3hac n GLN 320 CO 0.00 0.00 0.00 0.27 -1.01 0.00 0.00 177.06 176.32 3hac n ASN 321 N 1.07 3.53 -3.67 1.08 0.23 -1.26 -0.99 115.26 115.24 3hac n ASN 321 Ca 0.01 -2.26 -0.18 0.00 -0.53 0.00 0.00 54.58 51.61 3hac n ASN 321 Cb 0.51 -0.38 -0.17 0.00 -2.08 0.00 0.00 39.78 37.66 3hac n ASN 321 CO 0.00 0.00 0.00 -0.47 -0.93 0.00 0.00 177.26 175.86 3hac s TYR 322 N -1.48 -0.05 0.06 -2.53 6.14 -1.23 -1.72 117.35 116.54 3hac s TYR 322 Ca 0.34 0.42 0.04 0.00 0.64 0.00 0.00 57.07 58.52 3hac s TYR 322 Cb 0.21 -0.38 -0.03 0.00 0.42 0.00 0.00 41.96 42.19 3hac s TYR 322 CO 0.18 -0.23 -0.12 0.45 0.64 0.00 0.00 175.55 176.48 3hac s SER 323 N 2.23 1.36 -0.04 4.32 0.15 0.23 -1.60 113.70 120.35 3hac s SER 323 Ca 0.04 -0.61 0.02 0.00 0.70 0.00 0.00 55.95 56.09 3hac s SER 323 Cb -0.12 -0.01 0.02 0.00 -1.71 0.00 0.00 66.02 64.19 3hac s SER 323 CO -0.04 -0.14 -0.06 -0.69 1.20 0.00 0.00 173.24 173.50 3hac s VAL 324 N -1.42 0.67 -0.21 4.45 1.01 -0.35 -0.68 120.40 123.87 3hac s VAL 324 Ca -0.04 -0.22 -0.11 0.00 0.00 0.00 0.00 61.98 61.61 3hac s VAL 324 Cb -0.09 -0.65 -0.05 0.00 0.00 0.00 0.00 36.38 35.59 3hac s VAL 324 CO 0.01 0.24 0.18 -0.32 0.00 0.00 0.00 175.10 175.22 3hac s MET 325 N 0.72 4.16 -0.08 2.72 1.75 0.71 -0.62 119.30 128.66 3hac s MET 325 Ca -0.11 -0.17 -0.05 0.00 -1.25 0.00 0.00 55.69 54.12 3hac s MET 325 Cb -0.14 -3.46 -0.04 0.00 2.84 0.00 0.00 34.83 34.03 3hac s MET 325 CO 0.01 0.20 0.11 -0.51 -0.65 0.00 0.00 175.02 174.18 3hac s ASP 326 N 0.63 6.06 -0.22 1.11 1.01 0.25 -1.35 116.67 124.16 3hac s ASP 326 Ca 0.10 0.35 -0.01 0.00 0.71 0.00 0.00 52.55 53.69 3hac s ASP 326 Cb -0.12 -1.88 0.02 0.00 1.01 0.00 0.00 42.92 41.94 3hac s ASP 326 CO 0.01 0.37 -0.10 -0.63 0.21 0.00 0.00 175.17 175.03 3hac s ILE 327 N -1.06 2.68 -0.10 0.77 1.01 -1.26 -1.58 121.20 121.67 3hac s ILE 327 Ca 0.17 -0.92 0.03 0.00 0.00 0.00 0.00 60.65 59.93 3hac s ILE 327 Cb -0.12 -2.28 -0.01 0.00 0.01 0.00 0.00 42.46 40.07 3hac s ILE 327 CO 0.07 0.34 -0.22 0.00 0.00 0.00 0.00 174.94 175.13 3hac s ASP 329 N 0.23 4.27 0.19 0.00 1.11 -0.00 -1.06 116.67 121.41 3hac s ASP 329 Ca -0.14 -0.19 -0.31 0.00 0.18 0.00 0.00 52.55 52.09 3hac s ASP 329 Cb -0.17 -1.30 -0.09 0.00 1.07 0.00 0.00 42.92 42.43 3hac s ASP 329 CO 0.07 0.27 1.42 -0.47 1.18 0.00 0.00 175.17 177.64 3hac s TYR 330 N -0.24 3.14 -0.40 4.23 5.04 0.16 -1.49 117.35 127.79 3hac s TYR 330 Ca 0.02 0.99 -0.10 0.00 -2.44 0.00 0.00 57.07 55.54 3hac s TYR 330 Cb -0.13 -3.75 0.06 0.00 0.35 0.00 0.00 41.96 38.49 3hac s TYR 330 CO 0.03 -2.54 0.24 0.34 -1.34 0.00 0.00 175.55 172.28 3hac s ASP 331 N 0.67 5.68 0.57 4.32 2.15 0.51 -4.96 116.67 125.61 3hac s ASP 331 Ca 0.62 -1.30 0.35 0.00 0.43 0.00 0.00 52.55 52.64 3hac s ASP 331 Cb -0.40 -2.00 1.64 0.00 -0.30 0.00 0.00 42.92 41.86 3hac s ASP 331 CO 0.37 -0.48 2.10 -0.08 -0.17 0.00 0.00 175.17 176.90 3hac h GLU 332 N 8.43 0.00 0.02 4.34 4.81 -1.95 0.51 114.58 130.73 3hac h GLU 332 Ca -0.24 0.00 -0.27 0.00 -0.13 0.00 0.00 59.36 58.71 3hac h GLU 332 Cb 1.09 0.00 -0.04 0.00 0.63 0.00 0.00 28.75 30.43 3hac h GLU 332 CO 0.73 0.04 -1.52 0.66 -0.73 0.00 0.00 179.01 178.18 3hac h SER 333 N 0.00 0.05 0.00 1.04 4.64 -1.96 -3.37 113.55 113.96 3hac h SER 333 Ca -0.00 -0.09 0.00 0.00 -0.47 0.00 0.00 61.79 61.23 3hac h SER 333 Cb 0.36 -0.02 0.00 0.00 -0.31 0.00 0.00 62.40 62.43 3hac h SER 333 CO 0.00 1.07 -1.59 -1.54 -0.87 0.00 0.00 176.83 173.91 3hac n SER 334 N -3.18 0.95 -0.10 4.97 3.41 -1.09 -4.98 113.62 113.60 3hac n SER 334 Ca -0.13 -0.19 -0.01 0.00 -0.26 0.00 0.00 58.87 58.27 3hac n SER 334 Cb 1.02 1.63 -0.01 0.00 -0.26 0.00 0.00 64.21 66.60 3hac n SER 334 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3hac n GLY 335 N 1.48 0.37 3.97 5.00 0.00 0.18 -5.01 105.19 111.18 3hac n GLY 335 Ca -0.02 -0.07 -0.21 0.00 0.00 0.00 0.00 46.02 45.72 3hac n GLY 335 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3hac s ARG 336 N -1.25 3.02 -0.26 1.61 1.81 -1.20 -4.85 118.95 117.84 3hac s ARG 336 Ca 0.00 -0.72 -0.04 0.00 -1.72 0.00 0.00 55.73 53.26 3hac s ARG 336 Cb 0.00 -2.65 0.01 0.00 -0.45 0.00 0.00 34.95 31.87 3hac s ARG 336 CO 0.00 -0.20 -0.02 -1.58 -0.68 0.00 0.00 175.30 172.82 3hac s TRP 337 N -2.44 3.07 -0.13 -0.53 0.52 -1.26 -0.36 118.94 117.81 3hac s TRP 337 Ca 0.48 -1.26 -0.02 0.00 0.02 0.00 0.00 56.10 55.31 3hac s TRP 337 Cb -0.10 -2.12 -0.03 0.00 -1.15 0.00 0.00 33.47 30.07 3hac s TRP 337 CO 0.35 -0.65 -0.03 -0.80 0.02 0.00 0.00 176.95 175.84 3hac s ASN 338 N 1.41 4.86 -0.51 2.95 0.02 -0.55 -4.87 114.94 118.24 3hac s ASN 338 Ca 0.02 -0.05 -0.02 0.00 -1.02 0.00 0.00 52.86 51.79 3hac s ASN 338 Cb -0.16 -1.60 0.13 0.00 0.02 0.00 0.00 41.25 39.64 3hac s ASN 338 CO -0.02 0.25 0.31 0.00 0.02 0.00 0.00 177.10 177.65 3hac n LEU 340 N 3.90 3.91 -0.04 0.00 4.77 -1.25 -4.91 117.00 123.37 3hac n LEU 340 Ca 0.04 1.14 -0.02 0.00 -0.03 0.00 0.00 56.01 57.14 3hac n LEU 340 Cb 0.39 -1.54 0.24 0.00 -2.33 0.00 0.00 43.42 40.19 3hac n LEU 340 CO 0.33 -0.06 0.92 0.58 -1.33 0.00 0.00 177.39 177.82 3hac h VAL 341 N 3.28 1.22 0.00 4.08 2.07 -1.98 -1.21 116.25 123.71 3hac h VAL 341 Ca -0.46 -0.87 0.00 0.00 0.82 0.00 0.00 66.70 66.19 3hac h VAL 341 Cb 1.24 0.92 0.00 0.00 -1.52 0.00 0.00 31.29 31.93 3hac h VAL 341 CO 0.79 0.30 0.24 0.00 0.02 0.00 0.00 177.57 178.93 3hac h ALA 342 N 1.41 1.23 -0.54 1.67 0.00 -1.96 -1.06 119.26 120.02 3hac h ALA 342 Ca 0.12 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.03 3hac h ALA 342 Cb 0.37 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.16 3hac h ALA 342 CO 0.01 -0.23 0.00 0.54 0.00 0.00 0.00 179.25 179.57 3hac n ARG 343 N -2.80 2.96 -2.70 0.00 1.74 -0.46 -4.44 116.66 110.96 3hac n ARG 343 Ca -0.02 -2.47 -0.39 0.00 -0.77 0.00 0.00 57.85 54.20 3hac n ARG 343 Cb 0.29 -1.52 -0.06 0.00 -1.02 0.00 0.00 32.46 30.16 3hac n ARG 343 CO 0.00 0.00 0.00 -0.65 -1.52 0.00 0.00 177.63 175.46 3hac s GLN 344 N -1.25 4.72 -0.13 5.56 -0.21 -0.41 -3.99 119.66 123.95 3hac s GLN 344 Ca 0.39 1.51 -0.00 0.00 0.02 0.00 0.00 55.36 57.27 3hac s GLN 344 Cb 0.22 -3.11 0.03 0.00 1.00 0.00 0.00 33.01 31.14 3hac s GLN 344 CO 0.23 0.37 -0.08 -1.01 -2.12 0.00 0.00 175.29 172.69 3hac s HIS 345 N -1.30 1.64 0.00 0.91 3.76 -0.45 -4.93 115.29 114.91 3hac s HIS 345 Ca 0.45 -0.89 -0.18 0.00 -0.15 0.00 0.00 55.06 54.28 3hac s HIS 345 Cb -0.25 -1.31 -0.06 0.00 1.11 0.00 0.00 32.58 32.08 3hac s HIS 345 CO 0.31 -0.56 0.52 0.42 -0.85 0.00 0.00 174.74 174.58 3hac s ILE 346 N 1.66 4.93 -0.13 0.60 1.01 -1.26 -0.21 121.20 127.80 3hac s ILE 346 Ca 0.04 1.09 -0.00 0.00 0.00 0.00 0.00 60.65 61.77 3hac s ILE 346 Cb -0.13 -3.85 0.03 0.00 0.01 0.00 0.00 42.46 38.52 3hac s ILE 346 CO -0.08 0.49 -0.07 -0.70 0.00 0.00 0.00 174.94 174.58 3hac s GLU 347 N -0.59 1.50 0.24 2.79 2.12 0.14 -4.99 118.70 119.91 3hac s GLU 347 Ca 0.28 -0.34 0.04 0.00 0.36 0.00 0.00 54.97 55.30 3hac s GLU 347 Cb -0.18 -1.74 -0.05 0.00 0.26 0.00 0.00 34.13 32.42 3hac s GLU 347 CO 0.16 -0.32 -0.00 0.00 -0.54 0.00 0.00 175.26 174.55 3hac s MET 348 N 1.68 1.37 -0.03 4.30 0.23 -1.26 -0.60 119.30 124.99 3hac s MET 348 Ca 0.04 -1.70 0.02 0.00 -1.03 0.00 0.00 55.69 53.02 3hac s MET 348 Cb -0.13 -0.65 0.01 0.00 -1.53 0.00 0.00 34.83 32.52 3hac s MET 348 CO -0.08 -0.10 -0.07 0.45 -2.03 0.00 0.00 175.02 173.19 3hac s SER 349 N -3.32 1.07 0.05 -1.18 0.15 -0.70 -4.98 113.70 104.78 3hac s SER 349 Ca 0.29 -0.16 0.23 0.00 0.70 0.00 0.00 55.95 57.01 3hac s SER 349 Cb 0.06 -0.38 0.07 0.00 -1.71 0.00 0.00 66.02 64.06 3hac s SER 349 CO 0.09 0.02 1.05 0.35 1.20 0.00 0.00 173.24 175.95 3hac n THR 350 N 3.57 0.15 -0.01 6.45 -2.24 -1.26 -4.45 114.28 116.49 3hac n THR 350 Ca -0.21 -0.22 0.07 0.00 -2.27 0.00 0.00 64.05 61.43 3hac n THR 350 Cb 0.53 0.24 -0.11 0.00 -2.10 0.00 0.00 70.33 68.89 3hac n THR 350 CO 0.00 0.00 0.00 0.35 -0.57 0.00 0.00 175.07 174.85 3hac n THR 351 N -1.91 0.01 0.00 4.28 -2.24 -1.26 -5.08 114.28 108.08 3hac n THR 351 Ca 0.02 -0.33 0.00 0.00 -2.27 0.00 0.00 64.05 61.47 3hac n THR 351 Cb 0.43 0.16 0.00 0.00 -2.10 0.00 0.00 70.33 68.81 3hac n THR 351 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3hac n GLY 352 N 1.68 3.10 4.00 3.38 0.00 -1.26 -4.81 105.19 111.28 3hac n GLY 352 Ca -0.03 -0.09 -0.21 0.00 0.00 0.00 0.00 46.02 45.69 3hac n GLY 352 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 173.32 173.98 3hac s TRP 353 N 0.26 2.18 -0.17 1.61 -2.14 -1.26 -4.53 118.94 114.88 3hac s TRP 353 Ca 0.00 -0.30 -0.15 0.00 2.66 0.00 0.00 56.10 58.31 3hac s TRP 353 Cb 0.00 -2.64 -0.04 0.00 -3.10 0.00 0.00 33.47 27.68 3hac s TRP 353 CO 0.00 -1.09 0.34 0.08 -2.66 0.00 0.00 176.95 173.62 3hac s VAL 354 N -2.78 5.26 0.00 -0.66 1.01 -0.16 -4.75 120.40 118.32 3hac s VAL 354 Ca 0.60 0.62 0.00 0.00 0.00 0.00 0.00 61.98 63.21 3hac s VAL 354 Cb -0.08 -3.68 0.00 0.00 0.00 0.00 0.00 36.38 32.62 3hac s VAL 354 CO 0.39 0.33 0.00 0.61 0.00 0.00 0.00 175.10 176.44 3hac n GLY 355 N 3.61 -1.18 0.27 4.51 0.00 -1.26 -3.28 105.19 107.86 3hac n GLY 355 Ca -0.10 -1.62 -0.14 0.00 0.00 0.00 0.00 46.02 44.16 3hac n GLY 355 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 3hac h ARG 356 N 0.00 -0.60 0.00 1.61 3.08 -1.95 -3.40 114.38 113.12 3hac h ARG 356 Ca 0.00 0.04 0.00 0.00 0.07 0.00 0.00 59.98 60.09 3hac h ARG 356 Cb 0.00 0.14 0.00 0.00 0.08 0.00 0.00 29.97 30.19 3hac h ARG 356 CO 0.00 -0.29 -0.27 1.19 -1.07 0.00 0.00 179.97 179.53 3hac n PHE 357 N -5.25 0.00 -3.55 3.04 3.72 -1.26 -4.90 117.46 109.27 3hac n PHE 357 Ca -0.11 0.00 -0.07 0.00 -0.05 0.00 0.00 57.45 57.22 3hac n PHE 357 Cb 0.30 0.00 -0.02 0.00 -0.94 0.00 0.00 39.48 38.82 3hac n PHE 357 CO 0.00 0.00 0.00 -0.98 -0.05 0.00 0.00 176.76 175.73 3hac s ARG 358 N -1.12 0.76 0.33 -1.08 1.70 -1.26 -4.99 118.95 113.29 3hac s ARG 358 Ca 0.00 -0.30 -0.27 0.00 -0.47 0.00 0.00 55.73 54.68 3hac s ARG 358 Cb 0.00 0.34 -0.13 0.00 -0.57 0.00 0.00 34.95 34.59 3hac s ARG 358 CO 0.00 -0.34 1.11 -2.30 -1.08 0.00 0.00 175.30 172.69 3hac n PRO 359 N -0.25 1.63 -1.30 3.89 -0.02 -1.20 -4.27 135.00 133.48 3hac n PRO 359 Ca -0.07 0.57 -0.31 0.00 -2.02 0.00 0.00 63.50 61.68 3hac n PRO 359 Cb 0.61 -2.05 0.09 0.00 -0.02 0.00 0.00 33.50 32.13 3hac n PRO 359 CO 0.00 0.00 0.00 -1.54 1.98 0.00 0.00 175.50 175.94 3hac s SER 360 N -0.50 4.48 0.19 2.55 1.04 -1.26 -4.92 113.70 115.28 3hac s SER 360 Ca 0.58 1.74 -0.25 0.00 0.48 0.00 0.00 55.95 58.50 3hac s SER 360 Cb -0.63 -2.46 -0.08 0.00 0.10 0.00 0.00 66.02 62.95 3hac s SER 360 CO 0.60 -2.04 0.79 -1.83 0.98 0.00 0.00 173.24 171.74 3hac s GLU 361 N -4.93 4.53 0.47 4.02 1.03 -1.26 -4.95 118.70 117.61 3hac s GLU 361 Ca 0.61 1.14 -0.18 0.00 0.03 0.00 0.00 54.97 56.57 3hac s GLU 361 Cb -0.17 -3.16 -0.09 0.00 -0.80 0.00 0.00 34.13 29.91 3hac s GLU 361 CO 0.56 0.52 0.96 -1.25 -1.33 0.00 0.00 175.26 174.72 3hac s PRO 362 N -1.35 4.05 -0.30 -4.83 0.04 -1.26 -4.60 135.00 126.74 3hac s PRO 362 Ca 0.38 0.99 0.03 0.00 0.04 0.00 0.00 61.00 62.44 3hac s PRO 362 Cb -0.22 -2.17 0.08 0.00 0.04 0.00 0.00 34.50 32.23 3hac s PRO 362 CO 0.25 -0.16 -0.01 -1.01 0.04 0.00 0.00 177.00 176.12 3hac s HIS 363 N -2.43 3.23 0.31 0.56 3.76 0.56 -4.95 115.29 116.34 3hac s HIS 363 Ca 0.60 -2.51 -0.23 0.00 -0.15 0.00 0.00 55.06 52.77 3hac s HIS 363 Cb -0.10 -2.33 -0.10 0.00 1.11 0.00 0.00 32.58 31.17 3hac s HIS 363 CO 0.24 -0.90 0.87 -0.06 -0.85 0.00 0.00 174.74 174.04 3hac s PHE 364 N 1.10 3.60 1.08 1.40 0.40 -1.26 -0.79 117.98 123.51 3hac s PHE 364 Ca 0.03 1.61 -0.14 0.00 -0.60 0.00 0.00 56.93 57.83 3hac s PHE 364 Cb -0.19 -2.80 0.23 0.00 0.51 0.00 0.00 43.02 40.77 3hac s PHE 364 CO -0.08 0.19 1.08 0.95 0.70 0.00 0.00 175.22 178.06 3hac s THR 365 N -1.70 1.91 0.18 0.64 -4.23 -0.77 -4.89 115.64 106.78 3hac s THR 365 Ca 0.50 0.00 -0.13 0.00 -1.18 0.00 0.00 61.69 60.88 3hac s THR 365 Cb -0.16 -2.43 0.10 0.00 1.34 0.00 0.00 72.50 71.35 3hac s THR 365 CO 0.21 0.00 1.74 -0.07 -0.54 0.00 0.00 174.62 175.96 3hac h LEU 366 N -2.19 0.12 0.00 4.79 4.07 -1.92 -1.06 115.31 119.12 3hac h LEU 366 Ca -0.54 0.07 0.00 0.00 0.08 0.00 0.00 57.88 57.49 3hac h LEU 366 Cb 1.33 0.07 0.00 0.00 1.08 0.00 0.00 40.66 43.14 3hac h LEU 366 CO 0.52 0.09 0.00 -0.90 -1.08 0.00 0.00 178.44 177.07 3hac n ASP 367 N -5.04 0.00 -1.12 -0.43 5.68 -1.26 -4.92 116.55 109.46 3hac n ASP 367 Ca 0.05 -0.00 -0.15 0.00 -0.50 0.00 0.00 54.79 54.19 3hac n ASP 367 Cb 0.21 -0.33 -0.06 0.00 -1.14 0.00 0.00 41.12 39.80 3hac n ASP 367 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 3hac n GLY 368 N 1.30 1.48 0.03 6.12 0.00 -0.40 -4.87 105.19 108.85 3hac n GLY 368 Ca 0.13 -0.22 0.12 0.00 0.00 0.00 0.00 46.02 46.05 3hac n GLY 368 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 3hac n ASN 369 N -0.65 0.56 -3.99 1.61 3.02 -1.26 -4.91 115.26 109.64 3hac n ASN 369 Ca -0.15 -0.00 -0.10 0.00 -0.03 0.00 0.00 54.58 54.30 3hac n ASN 369 Cb 0.52 0.14 -0.07 0.00 -0.61 0.00 0.00 39.78 39.76 3hac n ASN 369 CO 0.00 0.00 0.00 -0.94 -2.62 0.00 0.00 177.26 173.70 3hac s SER 370 N -3.61 0.03 0.11 6.41 1.04 -1.26 -1.54 113.70 114.87 3hac s SER 370 Ca 0.09 -0.93 -0.18 0.00 0.48 0.00 0.00 55.95 55.41 3hac s SER 370 Cb 0.16 0.46 0.04 0.00 0.10 0.00 0.00 66.02 66.78 3hac s SER 370 CO 0.70 -0.93 0.45 0.72 0.98 0.00 0.00 173.24 175.15 3hac s PHE 371 N -4.00 -0.29 -0.05 5.02 -0.12 -0.29 -1.85 117.98 116.41 3hac s PHE 371 Ca 0.20 0.07 0.03 0.00 -0.05 0.00 0.00 56.93 57.19 3hac s PHE 371 Cb 0.03 0.31 -0.03 0.00 -0.63 0.00 0.00 43.02 42.70 3hac s PHE 371 CO 0.03 -0.70 -0.13 0.71 -0.05 0.00 0.00 175.22 175.08 3hac s TYR 372 N -3.45 2.75 -0.14 3.49 1.51 0.03 -0.30 117.35 121.25 3hac s TYR 372 Ca 0.01 -0.12 -0.12 0.00 -1.01 0.00 0.00 57.07 55.83 3hac s TYR 372 Cb 0.01 -1.64 0.04 0.00 -0.11 0.00 0.00 41.96 40.25 3hac s TYR 372 CO -0.10 0.23 0.36 0.21 -1.11 0.00 0.00 175.55 175.14 3hac s LYS 373 N -0.80 0.42 -0.14 -0.62 2.20 -0.49 -0.32 119.74 119.98 3hac s LYS 373 Ca 0.12 0.51 -0.27 0.00 -0.36 0.00 0.00 55.97 55.97 3hac s LYS 373 Cb -0.11 0.19 -0.01 0.00 -1.51 0.00 0.00 37.83 36.39 3hac s LYS 373 CO 0.01 -0.06 0.92 0.42 -0.36 0.00 0.00 175.35 176.29 3hac s ILE 374 N 0.26 4.83 0.06 5.43 1.01 -1.26 -0.36 121.20 131.16 3hac s ILE 374 Ca -0.01 1.85 -0.01 0.00 0.00 0.00 0.00 60.65 62.49 3hac s ILE 374 Cb -0.03 -4.23 -0.04 0.00 0.01 0.00 0.00 42.46 38.17 3hac s ILE 374 CO -0.00 0.01 -0.03 0.27 0.00 0.00 0.00 174.94 175.19 3hac s ILE 375 N 2.10 0.26 -0.09 2.92 -4.36 -0.27 -4.57 121.20 117.19 3hac s ILE 375 Ca 0.43 -1.83 -0.30 0.00 -0.26 0.00 0.00 60.65 58.70 3hac s ILE 375 Cb -0.17 -1.58 -0.03 0.00 1.25 0.00 0.00 42.46 41.93 3hac s ILE 375 CO 0.15 -0.94 1.27 -0.55 0.24 0.00 0.00 174.94 175.10 3hac s SER 376 N -2.94 6.97 1.06 4.36 0.15 -1.26 -1.40 113.70 120.63 3hac s SER 376 Ca 0.09 1.82 -0.11 0.00 0.70 0.00 0.00 55.95 58.45 3hac s SER 376 Cb 0.08 -2.55 0.15 0.00 -1.71 0.00 0.00 66.02 61.99 3hac s SER 376 CO -0.08 -0.68 0.72 -0.46 1.20 0.00 0.00 173.24 173.93 3hac n ASN 377 N 5.84 -0.63 0.30 5.45 0.23 0.31 -4.84 115.26 121.92 3hac n ASN 377 Ca 0.13 -1.12 0.19 0.00 -0.53 0.00 0.00 54.58 53.25 3hac n ASN 377 Cb 0.45 -0.59 0.95 0.00 -2.08 0.00 0.00 39.78 38.51 3hac n ASN 377 CO 0.00 0.00 0.00 -0.33 -0.93 0.00 0.00 177.26 176.00 3hac h GLU 378 N 0.00 0.00 -0.01 -3.83 4.39 -1.96 -0.68 114.58 112.49 3hac h GLU 378 Ca -0.24 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.46 3hac h GLU 378 Cb 0.70 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.35 3hac h GLU 378 CO 0.17 0.02 -0.08 0.39 -1.16 0.00 0.00 179.01 178.35 3hac n GLU 379 N -3.20 1.33 -0.94 2.33 -0.58 -1.26 -4.94 120.64 113.39 3hac n GLU 379 Ca -0.02 -0.73 0.00 0.00 -0.42 0.00 0.00 57.16 55.99 3hac n GLU 379 Cb 0.18 -1.48 0.00 0.00 -0.57 0.00 0.00 31.44 29.57 3hac n GLU 379 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 3hac n GLY 380 N 1.22 0.44 3.77 0.62 0.00 -0.26 -4.71 105.19 106.26 3hac n GLY 380 Ca 0.17 -0.88 -0.36 0.00 0.00 0.00 0.00 46.02 44.96 3hac n GLY 380 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 3hac s TYR 381 N -2.00 3.36 -0.24 1.61 1.51 -1.26 0.45 117.35 120.77 3hac s TYR 381 Ca 0.00 0.33 -0.26 0.00 -1.01 0.00 0.00 57.07 56.13 3hac s TYR 381 Cb 0.00 -1.87 0.00 0.00 -0.11 0.00 0.00 41.96 39.98 3hac s TYR 381 CO 0.00 0.57 0.91 1.03 -1.11 0.00 0.00 175.55 176.95 3hac s ARG 382 N -0.89 4.19 0.20 -0.62 0.52 -1.26 -0.53 118.95 120.56 3hac s ARG 382 Ca 0.14 1.08 0.00 0.00 -0.52 0.00 0.00 55.73 56.43 3hac s ARG 382 Cb -0.12 -3.65 -0.05 0.00 0.52 0.00 0.00 34.95 31.66 3hac s ARG 382 CO 0.03 -0.58 0.07 -1.01 0.02 0.00 0.00 175.30 173.83 3hac s HIS 383 N 3.01 1.25 -0.16 -0.53 3.76 -0.50 -0.95 115.29 121.18 3hac s HIS 383 Ca 0.38 -1.20 -0.24 0.00 -0.15 0.00 0.00 55.06 53.85 3hac s HIS 383 Cb -0.15 -0.70 -0.02 0.00 1.11 0.00 0.00 32.58 32.82 3hac s HIS 383 CO 0.07 -0.41 0.79 0.42 -0.85 0.00 0.00 174.74 174.77 3hac s ILE 384 N -3.87 4.92 -0.06 0.60 1.01 -1.26 -1.11 121.20 121.42 3hac s ILE 384 Ca 0.32 1.55 0.01 0.00 0.00 0.00 0.00 60.65 62.53 3hac s ILE 384 Cb 0.07 -4.10 -0.03 0.00 0.01 0.00 0.00 42.46 38.41 3hac s ILE 384 CO 0.09 0.07 -0.06 0.00 0.00 0.00 0.00 174.94 175.04 3hac s TYR 386 N -0.84 3.16 -0.02 0.00 5.04 0.21 -1.40 117.35 123.49 3hac s TYR 386 Ca 0.13 -0.13 0.02 0.00 -2.44 0.00 0.00 57.07 54.65 3hac s TYR 386 Cb -0.11 -2.31 -0.03 0.00 0.35 0.00 0.00 41.96 39.86 3hac s TYR 386 CO 0.02 -0.24 -0.06 -0.06 -1.34 0.00 0.00 175.55 173.87 3hac s PHE 387 N 1.66 2.94 0.06 4.97 0.08 0.59 -1.24 117.98 127.04 3hac s PHE 387 Ca 0.07 0.01 -0.13 0.00 0.12 0.00 0.00 56.93 56.99 3hac s PHE 387 Cb -0.15 -1.66 -0.06 0.00 -0.57 0.00 0.00 43.02 40.58 3hac s PHE 387 CO 0.07 0.38 0.44 -0.65 -0.10 0.00 0.00 175.22 175.36 3hac s GLN 388 N -1.22 3.88 0.52 0.44 -1.52 -1.26 -1.14 119.66 119.36 3hac s GLN 388 Ca 0.16 0.35 0.23 0.00 -1.95 0.00 0.00 55.36 54.15 3hac s GLN 388 Cb -0.11 -3.07 1.43 0.00 -0.22 0.00 0.00 33.01 31.04 3hac s GLN 388 CO 0.06 0.59 2.12 -0.84 -0.25 0.00 0.00 175.29 176.97 3hac h ILE 389 N 3.18 0.75 -0.13 1.08 3.07 -1.63 -2.63 117.51 121.20 3hac h ILE 389 Ca -0.50 -0.32 -0.05 0.00 1.55 0.00 0.00 64.86 65.54 3hac h ILE 389 Cb 1.20 1.19 -0.03 0.00 -0.27 0.00 0.00 36.82 38.91 3hac h ILE 389 CO 0.64 0.08 -0.23 -0.90 -1.05 0.00 0.00 178.15 176.69 3hac n ASP 390 N -4.00 2.26 -4.15 2.16 5.68 -1.26 -4.30 116.55 112.94 3hac n ASP 390 Ca -0.03 -3.63 -0.24 0.00 -0.50 0.00 0.00 54.79 50.40 3hac n ASP 390 Cb 0.17 -0.54 -0.15 0.00 -1.14 0.00 0.00 41.12 39.45 3hac n ASP 390 CO 0.00 0.00 0.00 -0.54 -1.33 0.00 0.00 177.20 175.33 3hac s LYS 391 N -3.13 1.39 0.03 0.11 1.02 -0.99 -4.90 119.74 113.27 3hac s LYS 391 Ca 0.39 -0.60 -0.19 0.00 0.02 0.00 0.00 55.97 55.59 3hac s LYS 391 Cb 0.36 -1.33 -0.17 0.00 -0.52 0.00 0.00 37.83 36.17 3hac s LYS 391 CO -0.02 0.36 1.25 -0.22 -0.92 0.00 0.00 175.35 175.80 3hac h LYS 392 N 5.75 0.44 -6.42 1.68 3.64 -1.90 -3.40 116.57 116.35 3hac h LYS 392 Ca -0.36 -0.31 -0.53 0.00 -1.27 0.00 0.00 60.65 58.17 3hac h LYS 392 Cb 1.15 0.05 -0.03 0.00 -0.41 0.00 0.00 32.23 33.00 3hac h LYS 392 CO 0.48 0.93 0.29 -0.51 -2.27 0.00 0.00 179.45 178.38 3hac s ASP 393 N -6.44 7.36 0.30 4.20 1.01 -1.26 -5.01 116.67 116.83 3hac s ASP 393 Ca -0.14 1.63 0.06 0.00 0.71 0.00 0.00 52.55 54.82 3hac s ASP 393 Cb 0.05 -2.54 -0.02 0.00 1.01 0.00 0.00 42.92 41.42 3hac s ASP 393 CO 0.79 -0.10 0.36 0.00 0.21 0.00 0.00 175.17 176.43 3hac s THR 395 N -2.16 2.94 0.13 0.00 2.01 -0.37 -4.87 115.64 113.31 3hac s THR 395 Ca 0.40 -0.68 -0.30 0.00 0.31 0.00 0.00 61.69 61.42 3hac s THR 395 Cb -0.08 -2.26 -0.07 0.00 0.01 0.00 0.00 72.50 70.11 3hac s THR 395 CO 0.29 0.50 1.13 -0.36 -0.69 0.00 0.00 174.62 175.49 3hac s PHE 396 N 0.73 3.53 -0.33 4.92 0.08 -1.26 0.64 117.98 126.29 3hac s PHE 396 Ca -0.06 1.49 0.14 0.00 0.12 0.00 0.00 56.93 58.63 3hac s PHE 396 Cb -0.15 -3.33 -0.19 0.00 -0.57 0.00 0.00 43.02 38.78 3hac s PHE 396 CO 0.01 -0.84 0.45 0.44 -0.10 0.00 0.00 175.22 175.18 3hac n ILE 397 N 3.01 0.00 -4.37 0.64 -5.35 0.27 -4.92 119.36 108.64 3hac n ILE 397 Ca 0.05 -0.25 -0.20 0.00 -0.27 0.00 0.00 62.75 62.08 3hac n ILE 397 Cb 0.46 0.57 -0.10 0.00 -1.74 0.00 0.00 39.64 38.84 3hac n ILE 397 CO 0.00 0.00 0.00 0.42 -1.76 0.00 0.00 176.55 175.21 3hac s THR 398 N -2.67 1.93 0.05 7.28 -4.23 -1.23 -4.91 115.64 111.85 3hac s THR 398 Ca -0.00 -2.23 -0.27 0.00 -1.18 0.00 0.00 61.69 58.02 3hac s THR 398 Cb 0.10 -2.08 0.09 0.00 1.34 0.00 0.00 72.50 71.95 3hac s THR 398 CO 0.59 -0.52 0.77 -1.59 -0.54 0.00 0.00 174.62 173.33 3hac s LYS 399 N -3.51 1.00 0.00 3.99 -2.85 -1.26 -4.53 119.74 112.58 3hac s LYS 399 Ca 0.23 -0.32 0.00 0.00 -1.00 0.00 0.00 55.97 54.88 3hac s LYS 399 Cb -0.02 0.46 0.00 0.00 -2.06 0.00 0.00 37.83 36.21 3hac s LYS 399 CO 0.09 -0.43 0.00 0.41 0.10 0.00 0.00 175.35 175.52 3hac n GLY 400 N -0.20 1.95 2.78 0.59 0.00 -1.26 -4.93 105.19 104.11 3hac n GLY 400 Ca -0.12 -1.93 -0.42 0.00 0.00 0.00 0.00 46.02 43.55 3hac n GLY 400 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 3hac n THR 401 N -1.80 4.62 -3.85 2.61 -2.24 -1.26 -4.76 114.28 107.59 3hac n THR 401 Ca 0.00 -4.47 -0.02 0.00 -2.27 0.00 0.00 64.05 57.28 3hac n THR 401 Cb 0.00 -2.27 0.01 0.00 -2.10 0.00 0.00 70.33 65.97 3hac n THR 401 CO 0.00 0.00 0.00 -1.66 -0.57 0.00 0.00 175.07 172.84 3hac s TRP 402 N -0.18 0.02 0.06 4.78 1.48 -1.26 -5.04 118.94 118.80 3hac s TRP 402 Ca 0.42 -0.37 0.03 0.00 -1.06 0.00 0.00 56.10 55.13 3hac s TRP 402 Cb 0.11 0.67 -0.03 0.00 -1.16 0.00 0.00 33.47 33.07 3hac s TRP 402 CO -0.01 -0.82 -0.10 -1.21 -4.06 0.00 0.00 176.95 170.75 3hac s GLU 403 N -2.39 0.65 -0.05 3.25 2.02 -1.26 -4.49 118.70 116.43 3hac s GLU 403 Ca 0.20 -0.88 -0.28 0.00 0.02 0.00 0.00 54.97 54.03 3hac s GLU 403 Cb -0.02 -0.45 -0.03 0.00 0.10 0.00 0.00 34.13 33.74 3hac s GLU 403 CO 0.04 0.08 0.91 0.08 0.02 0.00 0.00 175.26 176.39 3hac s VAL 404 N -1.59 4.90 -0.10 2.63 1.01 -0.12 -2.56 120.40 124.56 3hac s VAL 404 Ca -0.05 1.89 -0.17 0.00 0.00 0.00 0.00 61.98 63.64 3hac s VAL 404 Cb -0.08 -4.24 -0.27 0.00 0.00 0.00 0.00 36.38 31.78 3hac s VAL 404 CO 0.01 0.14 0.60 0.40 0.00 0.00 0.00 175.10 176.25 3hac h ILE 405 N 4.87 1.12 -1.88 2.22 1.08 -1.03 -3.45 117.51 120.44 3hac h ILE 405 Ca -0.38 -2.41 -0.02 0.00 -0.39 0.00 0.00 64.86 61.65 3hac h ILE 405 Cb 1.20 2.79 -0.20 0.00 -3.07 0.00 0.00 36.82 37.53 3hac h ILE 405 CO 0.78 0.69 0.28 -0.83 -0.69 0.00 0.00 178.15 178.37 3hac s GLY 406 N -4.86 -0.49 -0.11 5.37 0.00 -1.17 -5.01 107.32 101.05 3hac s GLY 406 Ca -0.19 1.55 -0.21 0.00 0.00 0.00 0.00 44.72 45.87 3hac s GLY 406 CO 0.77 1.02 0.61 -0.42 0.00 0.00 0.00 173.10 175.08 3hac s ILE 407 N -1.08 5.09 -0.13 0.90 1.01 -1.26 -1.47 121.20 124.25 3hac s ILE 407 Ca -0.08 1.22 0.04 0.00 0.00 0.00 0.00 60.65 61.83 3hac s ILE 407 Cb -0.00 -3.94 -0.10 0.00 0.01 0.00 0.00 42.46 38.42 3hac s ILE 407 CO 0.07 0.24 -0.07 -0.62 0.00 0.00 0.00 174.94 174.56 3hac n GLU 408 N 4.05 0.93 -3.62 2.79 -0.58 0.86 -4.98 120.64 120.08 3hac n GLU 408 Ca -0.03 0.05 -0.13 0.00 -0.42 0.00 0.00 57.16 56.63 3hac n GLU 408 Cb 0.51 -1.27 -0.06 0.00 -0.57 0.00 0.00 31.44 30.05 3hac n GLU 408 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 3hac s ALA 409 N -2.27 -1.13 -0.03 0.62 0.00 -1.05 -4.86 121.76 113.03 3hac s ALA 409 Ca -0.14 0.39 -0.00 0.00 0.00 0.00 0.00 51.96 52.20 3hac s ALA 409 Cb 0.04 0.40 0.03 0.00 0.00 0.00 0.00 23.12 23.59 3hac s ALA 409 CO 0.35 -0.49 0.01 -1.17 0.00 0.00 0.00 175.76 174.46 3hac s LEU 410 N -2.07 0.95 0.48 0.00 2.96 -1.26 -0.40 118.68 119.34 3hac s LEU 410 Ca -0.05 -0.01 0.02 0.00 -0.22 0.00 0.00 54.13 53.88 3hac s LEU 410 Cb -0.01 -0.21 -0.03 0.00 0.50 0.00 0.00 46.19 46.45 3hac s LEU 410 CO -0.03 -0.13 0.02 0.42 -1.32 0.00 0.00 176.35 175.31 3hac s THR 411 N 1.29 1.21 0.42 3.68 -4.23 0.18 -4.97 115.64 113.22 3hac s THR 411 Ca -0.06 -2.00 0.32 0.00 -1.18 0.00 0.00 61.69 58.77 3hac s THR 411 Cb -0.13 -2.33 0.34 0.00 1.34 0.00 0.00 72.50 71.72 3hac s THR 411 CO -0.02 0.00 2.13 0.77 -0.54 0.00 0.00 174.62 176.95 3hac h SER 412 N 1.49 0.00 0.00 3.99 4.64 -2.01 -3.27 113.55 118.39 3hac h SER 412 Ca -0.43 0.00 -0.35 0.00 -0.47 0.00 0.00 61.79 60.55 3hac h SER 412 Cb 1.30 0.00 -0.06 0.00 -0.31 0.00 0.00 62.40 63.32 3hac h SER 412 CO 0.73 0.07 -2.30 0.47 -0.87 0.00 0.00 176.83 174.93 3hac n ASP 413 N -3.46 0.95 -4.01 4.97 8.00 -1.26 -4.83 116.55 116.90 3hac n ASP 413 Ca -0.02 -0.04 -0.13 0.00 0.71 0.00 0.00 54.79 55.31 3hac n ASP 413 Cb 0.21 0.55 -0.12 0.00 -0.02 0.00 0.00 41.12 41.73 3hac n ASP 413 CO 0.00 0.00 0.00 -0.31 -0.39 0.00 0.00 177.20 176.50 3hac s TYR 414 N -2.46 0.52 -0.11 1.24 1.51 -1.23 -1.50 117.35 115.32 3hac s TYR 414 Ca -0.16 -0.38 -0.00 0.00 -1.01 0.00 0.00 57.07 55.51 3hac s TYR 414 Cb 0.06 -0.32 -0.02 0.00 -0.11 0.00 0.00 41.96 41.57 3hac s TYR 414 CO 0.70 -0.08 -0.10 -1.17 -1.11 0.00 0.00 175.55 173.79 3hac s LEU 415 N -1.14 2.91 -0.16 -1.29 0.20 -0.92 -0.65 118.68 117.63 3hac s LEU 415 Ca -0.08 -0.20 -0.05 0.00 0.69 0.00 0.00 54.13 54.49 3hac s LEU 415 Cb -0.08 -1.65 -0.03 0.00 -0.43 0.00 0.00 46.19 44.00 3hac s LEU 415 CO 0.00 0.24 -0.01 -0.31 -0.29 0.00 0.00 176.35 175.98 3hac s TYR 416 N -0.06 3.09 0.06 5.38 1.51 0.46 -0.97 117.35 126.82 3hac s TYR 416 Ca -0.01 -0.20 -0.08 0.00 -1.01 0.00 0.00 57.07 55.78 3hac s TYR 416 Cb -0.14 -1.99 -0.01 0.00 -0.11 0.00 0.00 41.96 39.72 3hac s TYR 416 CO 0.03 0.02 0.15 1.52 -1.11 0.00 0.00 175.55 176.17 3hac s TYR 417 N 0.35 0.17 -0.15 2.71 -0.85 -0.48 -0.10 117.35 119.00 3hac s TYR 417 Ca -0.02 -0.54 -0.08 0.00 -0.52 0.00 0.00 57.07 55.91 3hac s TYR 417 Cb -0.14 -0.10 -0.04 0.00 0.38 0.00 0.00 41.96 42.06 3hac s TYR 417 CO 0.02 -0.47 0.13 0.42 -1.52 0.00 0.00 175.55 174.13 3hac s ILE 418 N -3.35 5.38 0.18 -3.49 -1.09 -0.54 -0.36 121.20 117.93 3hac s ILE 418 Ca 0.01 0.17 -0.05 0.00 -2.23 0.00 0.00 60.65 58.55 3hac s ILE 418 Cb 0.03 -3.38 -0.03 0.00 -1.58 0.00 0.00 42.46 37.50 3hac s ILE 418 CO -0.08 0.55 0.21 -0.94 -1.23 0.00 0.00 174.94 173.45 3hac s SER 419 N -0.47 0.12 -0.39 3.58 1.04 -0.56 -0.36 113.70 116.66 3hac s SER 419 Ca 0.12 -1.13 0.06 0.00 0.48 0.00 0.00 55.95 55.48 3hac s SER 419 Cb -0.12 0.41 0.63 0.00 0.10 0.00 0.00 66.02 67.04 3hac s SER 419 CO 0.02 -0.88 1.77 -0.46 0.98 0.00 0.00 173.24 174.67 3hac n ASN 420 N -0.23 3.47 -0.31 7.02 0.23 -1.06 -1.53 115.26 122.86 3hac n ASN 420 Ca -0.03 -3.62 -0.04 0.00 -0.53 0.00 0.00 54.58 50.35 3hac n ASN 420 Cb 0.64 -0.77 0.07 0.00 -2.08 0.00 0.00 39.78 37.64 3hac n ASN 420 CO 0.00 0.00 0.00 -0.08 -0.93 0.00 0.00 177.26 176.25 3hac h GLU 421 N 1.15 1.15 -6.64 -3.83 4.81 -1.85 -3.33 114.58 106.05 3hac h GLU 421 Ca 0.48 -0.13 -0.52 0.00 -0.13 0.00 0.00 59.36 59.06 3hac h GLU 421 Cb 2.47 -0.23 0.06 0.00 0.63 0.00 0.00 28.75 31.68 3hac h GLU 421 CO 0.86 0.84 1.02 0.98 -0.73 0.00 0.00 179.01 181.98 3hac n TYR 422 N -4.40 2.73 -1.41 0.92 9.36 -1.26 -1.27 117.16 121.83 3hac n TYR 422 Ca 0.08 0.02 -0.15 0.00 3.32 0.00 0.00 57.90 61.18 3hac n TYR 422 Cb 0.09 -2.68 -0.06 0.00 -0.63 0.00 0.00 39.34 36.05 3hac n TYR 422 CO 0.00 0.00 0.00 1.63 0.22 0.00 0.00 176.86 178.71 3hac n LYS 423 N 4.14 -1.37 -2.88 2.98 5.02 -1.26 -1.96 118.16 122.83 3hac n LYS 423 Ca 0.16 0.87 -0.19 0.00 -2.02 0.00 0.00 58.31 57.14 3hac n LYS 423 Cb 0.35 -5.14 0.00 0.00 -0.02 0.00 0.00 35.03 30.22 3hac n LYS 423 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 3hac n GLY 424 N -0.24 -0.50 3.42 0.72 0.00 -0.39 -4.95 105.19 103.25 3hac n GLY 424 Ca -0.15 0.06 -0.44 0.00 0.00 0.00 0.00 46.02 45.50 3hac n GLY 424 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 3hac s MET 425 N -5.52 3.00 0.58 1.61 -1.94 -0.83 -4.94 119.30 111.26 3hac s MET 425 Ca 0.20 -1.15 0.38 0.00 -1.71 0.00 0.00 55.69 53.41 3hac s MET 425 Cb -0.10 -4.07 1.79 0.00 2.01 0.00 0.00 34.83 34.46 3hac s MET 425 CO 0.25 -0.95 2.12 -1.00 -0.01 0.00 0.00 175.02 175.44 3hac h PRO 426 N 8.74 0.00 -0.61 2.03 0.14 -1.90 -2.00 132.00 138.39 3hac h PRO 426 Ca -0.28 0.00 0.00 0.00 0.14 0.00 0.00 66.00 65.86 3hac h PRO 426 Cb 1.11 0.00 0.00 0.00 0.14 0.00 0.00 31.00 32.25 3hac h PRO 426 CO 0.83 0.00 0.00 0.41 0.14 0.00 0.00 178.00 179.38 3hac n GLY 427 N -0.46 1.91 3.80 1.56 0.00 -1.26 -4.87 105.19 105.86 3hac n GLY 427 Ca -0.01 -0.66 -0.22 0.00 0.00 0.00 0.00 46.02 45.13 3hac n GLY 427 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 3hac s GLY 428 N -0.96 1.45 -0.05 -0.02 0.00 -0.76 -2.09 107.32 104.90 3hac s GLY 428 Ca 0.41 -1.45 -0.02 0.00 0.00 0.00 0.00 44.72 43.66 3hac s GLY 428 CO 0.26 -1.49 0.09 0.50 0.00 0.00 0.00 173.10 172.46 3hac s ARG 429 N -3.80 0.03 0.06 2.90 1.81 0.07 -4.16 118.95 115.86 3hac s ARG 429 Ca 0.33 0.30 0.01 0.00 -1.72 0.00 0.00 55.73 54.65 3hac s ARG 429 Cb -0.08 -0.23 -0.03 0.00 -0.45 0.00 0.00 34.95 34.16 3hac s ARG 429 CO 0.24 -0.18 -0.06 -0.80 -0.68 0.00 0.00 175.30 173.83 3hac s ASN 430 N 1.21 0.83 -0.08 0.23 0.01 -0.58 -0.80 114.94 115.76 3hac s ASN 430 Ca -0.08 -0.83 -0.18 0.00 -0.71 0.00 0.00 52.86 51.06 3hac s ASN 430 Cb -0.12 0.10 -0.05 0.00 0.41 0.00 0.00 41.25 41.59 3hac s ASN 430 CO -0.05 -0.41 0.48 -0.22 -1.51 0.00 0.00 177.10 175.40 3hac s LEU 431 N -2.46 4.33 0.17 0.60 2.96 -1.26 -1.50 118.68 121.52 3hac s LEU 431 Ca 0.02 0.90 0.07 0.00 -0.22 0.00 0.00 54.13 54.89 3hac s LEU 431 Cb 0.00 -2.71 -0.04 0.00 0.50 0.00 0.00 46.19 43.94 3hac s LEU 431 CO -0.04 0.07 -0.14 -0.31 -1.32 0.00 0.00 176.35 174.61 3hac s TYR 432 N 0.19 1.56 0.02 5.38 1.51 0.51 0.29 117.35 126.82 3hac s TYR 432 Ca 0.26 -0.59 0.06 0.00 -1.01 0.00 0.00 57.07 55.79 3hac s TYR 432 Cb -0.16 -0.77 -0.02 0.00 -0.11 0.00 0.00 41.96 40.91 3hac s TYR 432 CO 0.12 0.25 -0.18 -1.59 -1.11 0.00 0.00 175.55 173.04 3hac s LYS 433 N -3.30 1.26 -0.10 -0.62 -2.85 -0.39 -1.39 119.74 112.34 3hac s LYS 433 Ca 0.17 -0.78 0.03 0.00 -1.00 0.00 0.00 55.97 54.39 3hac s LYS 433 Cb -0.02 -1.30 -0.01 0.00 -2.06 0.00 0.00 37.83 34.45 3hac s LYS 433 CO 0.05 0.34 -0.20 -1.50 0.10 0.00 0.00 175.35 174.14 3hac s ILE 434 N -0.68 2.46 -0.28 3.79 2.07 -0.14 -1.12 121.20 127.30 3hac s ILE 434 Ca 0.06 -0.88 -0.29 0.00 -1.41 0.00 0.00 60.65 58.12 3hac s ILE 434 Cb -0.08 -1.97 -0.00 0.00 0.13 0.00 0.00 42.46 40.53 3hac s ILE 434 CO 0.01 0.55 1.36 -1.58 -1.91 0.00 0.00 174.94 173.37 3hac s GLN 435 N 0.24 3.90 0.53 3.50 0.74 -0.69 -2.16 119.66 125.72 3hac s GLN 435 Ca -0.13 1.34 0.25 0.00 0.05 0.00 0.00 55.36 56.87 3hac s GLN 435 Cb -0.16 -3.91 1.45 0.00 1.10 0.00 0.00 33.01 31.49 3hac s GLN 435 CO 0.07 -1.14 2.11 -0.07 -0.55 0.00 0.00 175.29 175.70 3hac h LEU 436 N 11.01 0.00 0.00 3.68 3.38 -1.59 -1.59 115.31 130.20 3hac h LEU 436 Ca -0.28 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.69 3hac h LEU 436 Cb 1.11 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.86 3hac h LEU 436 CO 1.02 0.09 -0.21 -1.54 0.09 0.00 0.00 178.44 177.90 3hac n SER 437 N -3.88 0.46 -3.25 -0.43 3.41 -1.26 -4.65 113.62 104.01 3hac n SER 437 Ca -0.02 0.32 -0.04 0.00 -0.26 0.00 0.00 58.87 58.87 3hac n SER 437 Cb 0.19 -0.33 -0.03 0.00 -0.26 0.00 0.00 64.21 63.78 3hac n SER 437 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 3hac s ASP 438 N -3.67 -0.58 0.42 4.04 -1.08 -0.60 -5.03 116.67 110.16 3hac s ASP 438 Ca 0.11 -0.59 0.29 0.00 -0.52 0.00 0.00 52.55 51.84 3hac s ASP 438 Cb 0.16 1.51 1.42 0.00 -1.46 0.00 0.00 42.92 44.55 3hac s ASP 438 CO 0.62 -0.26 1.89 1.88 0.52 0.00 0.00 175.17 179.81 3hac h TYR 439 N 7.54 0.00 0.00 -5.34 0.05 -1.81 -0.56 116.97 116.86 3hac h TYR 439 Ca 0.00 0.00 0.00 0.00 0.05 0.00 0.00 58.73 58.78 3hac h TYR 439 Cb 1.14 0.00 0.00 0.00 1.01 0.00 0.00 36.73 38.88 3hac h TYR 439 CO 0.24 0.00 0.00 0.25 -1.05 0.00 0.00 178.16 177.60 3hac n THR 440 N -2.58 0.82 -3.31 -2.88 -2.24 -1.26 -4.40 114.28 98.43 3hac n THR 440 Ca -0.00 0.18 -0.46 0.00 -2.27 0.00 0.00 64.05 61.49 3hac n THR 440 Cb 0.15 -1.03 -0.01 0.00 -2.10 0.00 0.00 70.33 67.34 3hac n THR 440 CO 0.00 0.00 0.00 -0.54 -0.57 0.00 0.00 175.07 173.96 3hac s LYS 441 N -3.18 3.79 -0.15 -0.78 1.02 -0.22 -5.00 119.74 115.21 3hac s LYS 441 Ca 0.06 -2.66 -0.01 0.00 0.02 0.00 0.00 55.97 53.38 3hac s LYS 441 Cb 0.10 -4.50 -0.01 0.00 -0.52 0.00 0.00 37.83 32.90 3hac s LYS 441 CO 0.38 -1.30 -0.10 0.08 -0.92 0.00 0.00 175.35 173.48 3hac s VAL 442 N -0.12 3.22 -0.14 3.17 1.01 -1.26 -1.70 120.40 124.57 3hac s VAL 442 Ca 0.23 -0.59 0.01 0.00 0.00 0.00 0.00 61.98 61.63 3hac s VAL 442 Cb -0.10 -2.39 0.00 0.00 0.00 0.00 0.00 36.38 33.90 3hac s VAL 442 CO -0.09 0.50 -0.18 -0.89 0.00 0.00 0.00 175.10 174.44 3hac s THR 443 N 0.60 2.43 -0.05 3.92 2.01 -0.28 -4.98 115.64 119.29 3hac s THR 443 Ca -0.06 -0.86 -0.30 0.00 0.31 0.00 0.00 61.69 60.78 3hac s THR 443 Cb -0.15 -2.00 -0.02 0.00 0.01 0.00 0.00 72.50 70.34 3hac s THR 443 CO 0.03 0.53 1.00 0.00 -0.69 0.00 0.00 174.62 175.49 3hac n LEU 445 N 4.44 0.40 0.00 0.00 4.77 0.15 -4.56 117.00 122.19 3hac n LEU 445 Ca 0.07 -0.16 0.00 0.00 -0.03 0.00 0.00 56.01 55.89 3hac n LEU 445 Cb 0.50 -0.01 0.00 0.00 -2.33 0.00 0.00 43.42 41.58 3hac n LEU 445 CO 0.52 0.08 -0.25 -1.54 -1.33 0.00 0.00 177.39 174.87 3hac n SER 446 N -1.99 2.51 -0.29 -1.43 3.41 -1.18 -4.82 113.62 109.83 3hac n SER 446 Ca -0.01 -0.23 0.05 0.00 -0.26 0.00 0.00 58.87 58.43 3hac n SER 446 Cb 0.48 0.95 0.20 0.00 -0.26 0.00 0.00 64.21 65.58 3hac n SER 446 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3hac n GLU 448 N -4.84 2.11 0.03 0.00 -0.58 -1.26 -4.24 120.64 111.86 3hac n GLU 448 Ca 0.15 -1.96 -0.12 0.00 -0.42 0.00 0.00 57.16 54.82 3hac n GLU 448 Cb 0.38 -1.42 -0.07 0.00 -0.57 0.00 0.00 31.44 29.76 3hac n GLU 448 CO 0.00 0.00 0.00 -0.07 -0.48 0.00 0.00 177.13 176.58 3hac h LEU 449 N 3.82 0.02 -5.32 -4.62 3.38 -1.81 -3.39 115.31 107.39 3hac h LEU 449 Ca 0.00 -0.01 -0.25 0.00 0.09 0.00 0.00 57.88 57.70 3hac h LEU 449 Cb 0.86 -0.00 -0.21 0.00 0.09 0.00 0.00 40.66 41.39 3hac h LEU 449 CO 0.00 0.03 -0.61 -3.20 0.09 0.00 0.00 178.44 174.75 3hac n ASN 450 N -5.07 -2.77 -0.08 -0.43 2.85 -1.26 -5.05 115.26 103.45 3hac n ASN 450 Ca -0.07 -2.79 0.08 0.00 -0.11 0.00 0.00 54.58 51.69 3hac n ASN 450 Cb 0.04 1.22 0.43 0.00 1.24 0.00 0.00 39.78 42.71 3hac n ASN 450 CO 0.00 0.00 0.00 -0.65 -2.11 0.00 0.00 177.26 174.50 3hac h PRO 451 N 5.14 0.54 -0.12 1.20 0.11 -1.78 0.32 132.00 137.41 3hac h PRO 451 Ca 0.11 -0.03 -0.21 0.00 0.11 0.00 0.00 66.00 65.97 3hac h PRO 451 Cb 1.06 -0.12 0.01 0.00 0.11 0.00 0.00 31.00 32.06 3hac h PRO 451 CO 0.10 0.36 -0.79 1.05 -0.21 0.00 0.00 178.00 178.51 3hac h GLU 452 N 0.56 0.65 0.03 1.05 -0.00 -1.96 -3.35 114.58 111.55 3hac h GLU 452 Ca 0.25 -0.55 -0.31 0.00 -0.00 0.00 0.00 59.36 58.75 3hac h GLU 452 Cb 0.26 0.12 -0.04 0.00 -0.00 0.00 0.00 28.75 29.09 3hac h GLU 452 CO -0.07 1.17 -1.75 -0.09 -0.00 0.00 0.00 179.01 178.27 3hac h ARG 453 N 0.44 0.06 -3.93 1.06 2.43 -1.77 -3.41 114.38 109.26 3hac h ARG 453 Ca -0.05 -0.10 -0.58 0.00 -0.81 0.00 0.00 59.98 58.43 3hac h ARG 453 Cb 1.40 0.04 -0.39 0.00 -0.42 0.00 0.00 29.97 30.59 3hac h ARG 453 CO 0.15 0.66 -0.76 0.00 -1.51 0.00 0.00 179.97 178.51 3hac n GLN 455 N 4.77 0.55 -3.57 0.00 6.02 0.80 -4.44 117.38 121.52 3hac n GLN 455 Ca -0.06 -0.68 -0.27 0.00 -0.01 0.00 0.00 57.00 55.98 3hac n GLN 455 Cb 0.44 -0.80 -0.16 0.00 1.02 0.00 0.00 30.24 30.74 3hac n GLN 455 CO 0.00 0.00 0.00 -0.47 -1.01 0.00 0.00 177.06 175.58 3hac s TYR 456 N -0.29 0.22 0.08 1.08 6.14 -1.01 -0.75 117.35 122.83 3hac s TYR 456 Ca 0.00 -0.57 0.08 0.00 0.64 0.00 0.00 57.07 57.23 3hac s TYR 456 Cb 0.00 -0.78 -0.04 0.00 0.42 0.00 0.00 41.96 41.57 3hac s TYR 456 CO 0.00 -0.68 -0.18 0.71 0.64 0.00 0.00 175.55 176.04 3hac s TYR 457 N 2.13 2.54 0.40 4.97 2.02 0.02 -0.64 117.35 128.80 3hac s TYR 457 Ca 0.06 -0.26 0.05 0.00 -0.37 0.00 0.00 57.07 56.55 3hac s TYR 457 Cb -0.16 -1.40 -0.07 0.00 -0.40 0.00 0.00 41.96 39.94 3hac s TYR 457 CO -0.23 0.33 0.02 -1.54 -1.57 0.00 0.00 175.55 172.56 3hac s SER 458 N -1.83 3.54 0.01 2.29 1.04 -0.06 -4.60 113.70 114.09 3hac s SER 458 Ca 0.16 -1.42 -0.03 0.00 0.48 0.00 0.00 55.95 55.14 3hac s SER 458 Cb -0.11 -0.18 -0.01 0.00 0.10 0.00 0.00 66.02 65.83 3hac s SER 458 CO 0.08 -0.56 0.05 0.54 0.98 0.00 0.00 173.24 174.33 3hac s VAL 459 N -2.88 0.09 -0.18 5.02 0.11 -1.26 -0.86 120.40 120.44 3hac s VAL 459 Ca 0.31 -0.77 -0.01 0.00 -2.93 0.00 0.00 61.98 58.57 3hac s VAL 459 Cb 0.08 -0.33 0.05 0.00 -1.53 0.00 0.00 36.38 34.65 3hac s VAL 459 CO 0.15 -0.43 -0.02 -0.55 -3.33 0.00 0.00 175.10 170.93 3hac s SER 460 N -1.36 2.94 0.20 3.54 0.15 0.04 -4.98 113.70 114.23 3hac s SER 460 Ca -0.15 -0.76 -0.12 0.00 0.70 0.00 0.00 55.95 55.62 3hac s SER 460 Cb -0.09 -0.80 -0.07 0.00 -1.71 0.00 0.00 66.02 63.35 3hac s SER 460 CO 0.00 -0.24 0.56 -0.36 1.20 0.00 0.00 173.24 174.40 3hac s PHE 461 N 1.70 3.49 1.06 3.44 0.40 -1.26 -0.48 117.98 126.33 3hac s PHE 461 Ca -0.01 0.97 -0.16 0.00 -0.60 0.00 0.00 56.93 57.13 3hac s PHE 461 Cb -0.16 -2.32 0.22 0.00 0.51 0.00 0.00 43.02 41.27 3hac s PHE 461 CO -0.07 0.32 1.15 -1.54 0.70 0.00 0.00 175.22 175.78 3hac s SER 462 N -2.11 2.19 0.28 1.36 1.04 -0.34 -4.88 113.70 111.24 3hac s SER 462 Ca 0.44 0.72 0.01 0.00 0.48 0.00 0.00 55.95 57.61 3hac s SER 462 Cb -0.13 -1.07 0.63 0.00 0.10 0.00 0.00 66.02 65.55 3hac s SER 462 CO 0.20 -3.35 1.73 0.11 0.98 0.00 0.00 173.24 172.91 3hac h LYS 463 N -2.05 0.50 -0.07 4.02 1.79 -1.59 -1.25 116.57 117.92 3hac h LYS 463 Ca -0.48 -0.03 -0.03 0.00 -2.18 0.00 0.00 60.65 57.93 3hac h LYS 463 Cb 1.30 -0.11 -0.02 0.00 -1.58 0.00 0.00 32.23 31.81 3hac h LYS 463 CO 0.45 0.33 -0.35 0.39 -1.08 0.00 0.00 179.45 179.19 3hac n GLU 464 N -4.95 1.63 -1.60 3.15 -0.58 -1.26 -4.95 120.64 112.07 3hac n GLU 464 Ca 0.20 -3.19 -0.15 0.00 -0.42 0.00 0.00 57.16 53.59 3hac n GLU 464 Cb 0.54 -1.65 -0.06 0.00 -0.57 0.00 0.00 31.44 29.71 3hac n GLU 464 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 3hac n ALA 465 N -1.15 -0.28 0.06 0.62 0.00 -0.47 -4.88 120.51 114.41 3hac n ALA 465 Ca 0.21 0.23 -0.01 0.00 0.00 0.00 0.00 53.44 53.87 3hac n ALA 465 Cb 0.75 -1.67 0.26 0.00 0.00 0.00 0.00 19.45 18.79 3hac n ALA 465 CO 0.00 0.00 0.00 -0.22 0.00 0.00 0.00 177.50 177.28 3hac h LYS 466 N 0.00 0.37 -5.09 0.00 3.64 -1.81 -3.41 116.57 110.27 3hac h LYS 466 Ca -0.33 -0.13 -0.35 0.00 -1.27 0.00 0.00 60.65 58.58 3hac h LYS 466 Cb 1.06 -0.03 -0.18 0.00 -0.41 0.00 0.00 32.23 32.67 3hac h LYS 466 CO 0.46 0.59 -0.74 0.71 -2.27 0.00 0.00 179.45 178.20 3hac s TYR 467 N -4.50 1.16 -0.01 1.91 2.02 -1.26 -0.49 117.35 116.18 3hac s TYR 467 Ca -0.06 -0.62 -0.01 0.00 -0.37 0.00 0.00 57.07 56.00 3hac s TYR 467 Cb 0.14 -0.62 0.00 0.00 -0.40 0.00 0.00 41.96 41.08 3hac s TYR 467 CO 0.77 0.04 0.03 1.52 -1.57 0.00 0.00 175.55 176.34 3hac s TYR 468 N -2.35 -0.00 -0.22 2.71 1.13 0.03 -1.19 117.35 117.45 3hac s TYR 468 Ca 0.06 0.02 -0.14 0.00 -1.41 0.00 0.00 57.07 55.60 3hac s TYR 468 Cb -0.03 -0.01 -0.04 0.00 -1.10 0.00 0.00 41.96 40.77 3hac s TYR 468 CO 0.01 -0.04 0.34 -1.14 -2.51 0.00 0.00 175.55 172.20 3hac s GLN 469 N -0.18 4.12 -0.06 -3.49 0.74 0.36 -0.32 119.66 120.83 3hac s GLN 469 Ca -0.02 0.07 -0.13 0.00 0.05 0.00 0.00 55.36 55.32 3hac s GLN 469 Cb -0.02 -3.56 -0.05 0.00 1.10 0.00 0.00 33.01 30.49 3hac s GLN 469 CO -0.00 -0.06 0.33 -0.51 -0.55 0.00 0.00 175.29 174.51 3hac s LEU 470 N 1.38 4.40 -0.30 3.68 1.43 0.32 -0.78 118.68 128.81 3hac s LEU 470 Ca 0.16 0.77 0.03 0.00 -1.03 0.00 0.00 54.13 54.05 3hac s LEU 470 Cb -0.15 -2.44 0.08 0.00 0.03 0.00 0.00 46.19 43.71 3hac s LEU 470 CO 0.07 0.28 -0.00 -0.60 0.23 0.00 0.00 176.35 176.34 3hac s ARG 471 N -0.69 1.62 -0.13 1.70 3.52 -0.04 -1.48 118.95 123.45 3hac s ARG 471 Ca 0.21 -1.51 -0.21 0.00 -0.13 0.00 0.00 55.73 54.08 3hac s ARG 471 Cb -0.15 -2.89 -0.03 0.00 -1.56 0.00 0.00 34.95 30.31 3hac s ARG 471 CO 0.09 -0.79 0.62 0.00 -0.81 0.00 0.00 175.30 174.42 3hac n SER 473 N 4.24 2.09 0.00 0.00 3.41 0.18 -1.50 113.62 122.04 3hac n SER 473 Ca -0.03 -1.74 0.00 0.00 -0.26 0.00 0.00 58.87 56.84 3hac n SER 473 Cb 0.51 -0.07 0.00 0.00 -0.26 0.00 0.00 64.21 64.39 3hac n SER 473 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3hac n GLY 474 N 0.06 0.48 0.21 5.00 0.00 -1.26 -1.23 105.19 108.46 3hac n GLY 474 Ca 0.04 -1.13 0.14 0.00 0.00 0.00 0.00 46.02 45.07 3hac n GLY 474 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 3hac h PRO 475 N 0.00 0.00 0.00 1.61 0.13 -0.54 0.24 132.00 133.44 3hac h PRO 475 Ca 0.00 0.00 -0.03 0.00 -0.87 0.00 0.00 66.00 65.10 3hac h PRO 475 Cb 0.00 0.00 0.01 0.00 0.13 0.00 0.00 31.00 31.14 3hac h PRO 475 CO 0.00 0.00 0.02 0.41 -0.23 0.00 0.00 178.00 178.20 3hac n GLY 476 N 0.55 -1.47 3.77 1.56 0.00 0.39 -4.42 105.19 105.57 3hac n GLY 476 Ca 0.03 -1.62 -0.40 0.00 0.00 0.00 0.00 46.02 44.03 3hac n GLY 476 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3hac s LEU 477 N 0.00 4.28 0.40 0.99 1.43 -1.26 -4.56 118.68 119.96 3hac s LEU 477 Ca 0.05 2.64 -0.25 0.00 -1.03 0.00 0.00 54.13 55.55 3hac s LEU 477 Cb -0.00 -3.83 -0.11 0.00 0.03 0.00 0.00 46.19 42.27 3hac s LEU 477 CO 0.04 -0.74 0.96 -2.65 0.23 0.00 0.00 176.35 174.19 3hac n PRO 478 N 0.33 1.27 -3.82 1.29 -0.02 -1.26 -4.79 135.00 128.00 3hac n PRO 478 Ca 0.03 0.46 -0.20 0.00 -2.02 0.00 0.00 63.50 61.77 3hac n PRO 478 Cb 0.43 -1.96 -0.17 0.00 -0.02 0.00 0.00 33.50 31.78 3hac n PRO 478 CO 0.00 0.00 0.00 -1.17 1.98 0.00 0.00 175.50 176.31 3hac s LEU 479 N -0.18 0.72 -0.17 2.45 2.96 -0.57 -4.11 118.68 119.79 3hac s LEU 479 Ca 0.63 -0.02 -0.01 0.00 -0.22 0.00 0.00 54.13 54.51 3hac s LEU 479 Cb -0.58 -0.27 -0.01 0.00 0.50 0.00 0.00 46.19 45.84 3hac s LEU 479 CO 0.57 -0.17 -0.11 -0.31 -1.32 0.00 0.00 176.35 175.02 3hac s TYR 480 N 1.61 2.86 0.06 5.38 1.51 -0.07 -0.94 117.35 127.76 3hac s TYR 480 Ca -0.02 -0.85 0.02 0.00 -1.01 0.00 0.00 57.07 55.21 3hac s TYR 480 Cb -0.13 -1.94 -0.03 0.00 -0.11 0.00 0.00 41.96 39.75 3hac s TYR 480 CO -0.03 -0.39 -0.07 0.95 -1.11 0.00 0.00 175.55 174.89 3hac s THR 481 N 0.84 0.61 -0.03 -0.71 -4.23 -0.55 -0.25 115.64 111.32 3hac s THR 481 Ca -0.03 -1.42 0.05 0.00 -1.18 0.00 0.00 61.69 59.11 3hac s THR 481 Cb -0.15 -1.04 -0.03 0.00 1.34 0.00 0.00 72.50 72.63 3hac s THR 481 CO 0.00 -0.57 -0.17 -0.22 -0.54 0.00 0.00 174.62 173.13 3hac s LEU 482 N -2.16 2.62 0.05 4.79 2.96 -0.42 -0.52 118.68 126.00 3hac s LEU 482 Ca -0.01 -0.28 0.01 0.00 -0.22 0.00 0.00 54.13 53.63 3hac s LEU 482 Cb -0.04 -1.52 -0.03 0.00 0.50 0.00 0.00 46.19 45.10 3hac s LEU 482 CO -0.02 0.32 -0.05 -1.00 -1.32 0.00 0.00 176.35 174.28 3hac s HIS 483 N -0.76 0.56 -0.11 5.38 3.76 0.56 -0.53 115.29 124.15 3hac s HIS 483 Ca 0.12 -0.67 -0.03 0.00 -0.15 0.00 0.00 55.06 54.34 3hac s HIS 483 Cb -0.10 -0.36 -0.03 0.00 1.11 0.00 0.00 32.58 33.20 3hac s HIS 483 CO 0.01 -0.17 -0.01 -1.54 -0.85 0.00 0.00 174.74 172.18 3hac s SER 484 N -2.01 5.11 0.29 1.40 1.04 -0.74 -0.79 113.70 118.01 3hac s SER 484 Ca -0.05 0.06 0.05 0.00 0.48 0.00 0.00 55.95 56.48 3hac s SER 484 Cb -0.05 -1.56 0.44 0.00 0.10 0.00 0.00 66.02 64.96 3hac s SER 484 CO -0.03 0.31 1.71 0.28 0.98 0.00 0.00 173.24 176.50 3hac h SER 485 N 5.66 0.36 -0.35 7.02 0.02 -1.01 -1.16 113.55 124.08 3hac h SER 485 Ca -0.45 -0.13 0.05 0.00 -0.84 0.00 0.00 61.79 60.42 3hac h SER 485 Cb 1.19 -0.10 -0.04 0.00 0.14 0.00 0.00 62.40 63.58 3hac h SER 485 CO 0.58 0.68 0.09 1.62 -1.14 0.00 0.00 176.83 178.65 3hac h VAL 486 N 0.30 0.85 0.00 2.27 3.04 -1.90 -3.08 116.25 117.73 3hac h VAL 486 Ca 0.04 -0.07 0.00 0.00 -1.01 0.00 0.00 66.70 65.65 3hac h VAL 486 Cb 0.74 0.61 0.00 0.00 -2.01 0.00 0.00 31.29 30.63 3hac h VAL 486 CO 0.06 0.04 -0.06 0.59 -1.01 0.00 0.00 177.57 177.19 3hac n ASN 487 N -5.07 1.98 -4.11 3.17 3.02 -1.26 -5.01 115.26 108.00 3hac n ASN 487 Ca 0.01 -2.79 -0.31 0.00 -0.03 0.00 0.00 54.58 51.47 3hac n ASN 487 Cb 0.15 -0.34 -0.03 0.00 -0.61 0.00 0.00 39.78 38.95 3hac n ASN 487 CO 0.00 0.00 0.00 0.47 -2.62 0.00 0.00 177.26 175.11 3hac n ASP 488 N -1.13 -1.58 -4.77 6.41 9.92 -0.47 -4.94 116.55 120.01 3hac n ASP 488 Ca 0.12 -1.03 -0.39 0.00 -0.53 0.00 0.00 54.79 52.95 3hac n ASP 488 Cb 0.60 -2.81 -0.02 0.00 -0.64 0.00 0.00 41.12 38.24 3hac n ASP 488 CO 0.00 0.00 0.00 -0.54 0.13 0.00 0.00 177.20 176.79 3hac s LYS 489 N -6.79 4.27 -0.70 -1.24 1.02 -1.05 -4.84 119.74 110.41 3hac s LYS 489 Ca 0.34 1.96 -0.19 0.00 0.02 0.00 0.00 55.97 58.09 3hac s LYS 489 Cb -0.18 -2.91 0.11 0.00 -0.52 0.00 0.00 37.83 34.33 3hac s LYS 489 CO 0.92 -0.17 0.86 0.20 -0.92 0.00 0.00 175.35 176.23 3hac s GLY 490 N -0.87 1.79 0.00 -3.33 0.00 -1.26 -1.79 107.32 101.86 3hac s GLY 490 Ca 0.52 -2.35 -0.24 0.00 0.00 0.00 0.00 44.72 42.64 3hac s GLY 490 CO 0.44 1.75 1.13 1.41 0.00 0.00 0.00 173.10 177.83 3hac h LEU 491 N 10.18 -0.47 -7.12 0.66 3.38 -1.16 -3.48 115.31 117.30 3hac h LEU 491 Ca -0.17 -0.12 0.02 0.00 0.09 0.00 0.00 57.88 57.71 3hac h LEU 491 Cb 1.07 0.12 -0.12 0.00 0.09 0.00 0.00 40.66 41.82 3hac h LEU 491 CO 1.09 -0.08 0.28 0.00 0.09 0.00 0.00 178.44 179.82 3hac s ARG 492 N -4.48 1.23 -0.18 1.13 1.70 -1.11 -5.02 118.95 112.22 3hac s ARG 492 Ca -0.14 -0.49 -0.23 0.00 -0.47 0.00 0.00 55.73 54.40 3hac s ARG 492 Cb 0.02 0.54 -0.02 0.00 -0.57 0.00 0.00 34.95 34.92 3hac s ARG 492 CO 0.48 -0.54 0.72 0.08 -1.08 0.00 0.00 175.30 174.97 3hac s VAL 493 N -3.62 4.96 -0.11 4.99 1.01 -1.26 -1.30 120.40 125.07 3hac s VAL 493 Ca 0.03 1.40 -0.11 0.00 0.00 0.00 0.00 61.98 63.30 3hac s VAL 493 Cb -0.02 -4.04 -0.26 0.00 0.00 0.00 0.00 36.38 32.06 3hac s VAL 493 CO -0.10 0.08 0.44 -0.07 0.00 0.00 0.00 175.10 175.46 3hac h LEU 494 N 8.17 0.40 -7.03 3.92 3.38 -0.97 -3.47 115.31 119.71 3hac h LEU 494 Ca -0.31 -0.88 0.04 0.00 0.09 0.00 0.00 57.88 56.81 3hac h LEU 494 Cb 1.14 -0.13 -0.22 0.00 0.09 0.00 0.00 40.66 41.54 3hac h LEU 494 CO 0.80 1.76 -0.19 -0.70 0.09 0.00 0.00 178.44 180.21 3hac s GLU 495 N -2.53 0.52 0.00 1.13 2.56 -1.07 -5.00 118.70 114.31 3hac s GLU 495 Ca -0.21 1.36 0.12 0.00 0.00 0.00 0.00 54.97 56.23 3hac s GLU 495 Cb 0.06 0.75 0.24 0.00 2.00 0.00 0.00 34.13 37.18 3hac s GLU 495 CO 0.77 -0.21 1.12 -0.40 -0.56 0.00 0.00 175.26 175.97 3hac n ASP 496 N 5.43 2.61 -2.75 -1.70 5.68 -1.26 -0.90 116.55 123.67 3hac n ASP 496 Ca -0.11 -1.80 -0.15 0.00 -0.50 0.00 0.00 54.79 52.22 3hac n ASP 496 Cb 0.49 -0.15 -0.00 0.00 -1.14 0.00 0.00 41.12 40.32 3hac n ASP 496 CO 0.00 0.00 0.00 0.59 -1.33 0.00 0.00 177.20 176.46 3hac n ASN 497 N 0.63 -3.78 0.26 -1.12 3.02 -1.26 -4.85 115.26 108.16 3hac n ASN 497 Ca 0.10 0.02 0.11 0.00 -0.03 0.00 0.00 54.58 54.78 3hac n ASN 497 Cb 0.39 -3.18 0.69 0.00 -0.61 0.00 0.00 39.78 37.06 3hac n ASN 497 CO 0.00 0.00 0.00 0.77 -2.62 0.00 0.00 177.26 175.41 3hac h SER 498 N -0.35 0.00 0.24 6.41 4.64 -1.94 -1.83 113.55 120.73 3hac h SER 498 Ca -0.33 0.00 -0.01 0.00 -0.47 0.00 0.00 61.79 60.98 3hac h SER 498 Cb 1.23 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.32 3hac h SER 498 CO 0.39 0.11 -0.12 0.00 -0.87 0.00 0.00 176.83 176.35 3hac h ALA 499 N 1.89 -0.33 -0.81 5.18 0.00 -1.99 -2.32 119.26 120.88 3hac h ALA 499 Ca -0.00 -0.12 0.01 0.00 0.00 0.00 0.00 54.91 54.80 3hac h ALA 499 Cb 0.26 0.13 -0.04 0.00 0.00 0.00 0.00 17.79 18.13 3hac h ALA 499 CO 0.01 -0.61 0.53 1.25 0.00 0.00 0.00 179.25 180.44 3hac h LEU 500 N -0.47 0.92 -0.54 0.00 5.85 -1.77 -2.30 115.31 117.00 3hac h LEU 500 Ca -0.03 -0.02 0.08 0.00 0.84 0.00 0.00 57.88 58.75 3hac h LEU 500 Cb 0.35 -0.23 -0.07 0.00 0.37 0.00 0.00 40.66 41.09 3hac h LEU 500 CO 0.05 0.66 0.18 -0.78 -0.34 0.00 0.00 178.44 178.22 3hac h ASP 501 N 1.09 0.16 -0.46 1.25 3.58 -1.29 0.92 116.42 121.68 3hac h ASP 501 Ca 0.30 0.07 -0.00 0.00 0.42 0.00 0.00 57.03 57.82 3hac h ASP 501 Cb -0.11 0.07 -0.02 0.00 1.72 0.00 0.00 39.33 40.98 3hac h ASP 501 CO -0.07 0.11 0.27 0.50 -2.88 0.00 0.00 179.24 177.18 3hac h LYS 502 N 0.35 0.62 -0.46 0.28 3.64 -0.89 -2.35 116.57 117.76 3hac h LYS 502 Ca 0.27 -0.06 -0.01 0.00 -1.27 0.00 0.00 60.65 59.58 3hac h LYS 502 Cb 0.32 -0.13 -0.02 0.00 -0.41 0.00 0.00 32.23 31.98 3hac h LYS 502 CO -0.28 0.46 0.25 0.52 -2.27 0.00 0.00 179.45 178.12 3hac h MET 503 N 0.61 0.64 0.00 1.90 2.86 -0.90 -3.00 114.93 117.04 3hac h MET 503 Ca 0.16 -0.07 0.00 0.00 -2.06 0.00 0.00 59.70 57.73 3hac h MET 503 Cb -0.00 -0.12 0.00 0.00 0.06 0.00 0.00 31.60 31.53 3hac h MET 503 CO -0.03 0.50 0.00 -0.07 1.06 0.00 0.00 176.91 178.37 3hac h LEU 504 N 0.60 0.00 -2.29 1.22 3.38 -0.60 -2.55 115.31 115.06 3hac h LEU 504 Ca 0.16 0.00 0.01 0.00 0.09 0.00 0.00 57.88 58.14 3hac h LEU 504 Cb 0.05 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 40.80 3hac h LEU 504 CO -0.03 0.00 0.03 1.56 0.09 0.00 0.00 178.44 180.09 3hac h GLN 505 N 0.00 0.00 -0.63 1.13 4.20 -1.27 -1.97 115.11 116.57 3hac h GLN 505 Ca 0.00 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.71 3hac h GLN 505 Cb 0.46 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.24 3hac h GLN 505 CO 0.00 0.00 0.00 0.09 -0.67 0.00 0.00 178.83 178.25 3hac n ASN 506 N -4.07 3.90 -4.13 1.46 4.13 -0.96 -4.90 115.26 110.68 3hac n ASN 506 Ca -0.02 -2.37 -0.24 0.00 1.68 0.00 0.00 54.58 53.63 3hac n ASN 506 Cb 0.12 -0.52 -0.15 0.00 -1.54 0.00 0.00 39.78 37.69 3hac n ASN 506 CO 0.00 0.00 0.00 -0.69 0.28 0.00 0.00 177.26 176.85 3hac s VAL 507 N -1.81 1.23 -1.00 2.41 1.01 -0.74 -3.58 120.40 117.92 3hac s VAL 507 Ca 0.40 -0.66 -0.23 0.00 0.00 0.00 0.00 61.98 61.50 3hac s VAL 507 Cb 0.26 -1.03 0.05 0.00 0.00 0.00 0.00 36.38 35.66 3hac s VAL 507 CO 0.19 0.35 1.43 -1.10 0.00 0.00 0.00 175.10 175.97 3hac s GLN 508 N -0.31 3.57 0.26 2.72 -0.21 0.02 -4.99 119.66 120.71 3hac s GLN 508 Ca 0.05 -1.10 -0.13 0.00 0.02 0.00 0.00 55.36 54.20 3hac s GLN 508 Cb -0.07 -5.27 -0.08 0.00 1.00 0.00 0.00 33.01 28.59 3hac s GLN 508 CO -0.00 -2.19 0.63 -1.64 -2.12 0.00 0.00 175.29 169.97 3hac s MET 509 N 4.92 3.93 0.86 2.91 -1.94 -1.26 -4.28 119.30 124.44 3hac s MET 509 Ca 0.45 0.49 -0.12 0.00 -1.71 0.00 0.00 55.69 54.80 3hac s MET 509 Cb -0.01 -2.61 0.11 0.00 2.01 0.00 0.00 34.83 34.33 3hac s MET 509 CO -0.09 0.28 1.11 -1.25 -0.01 0.00 0.00 175.02 175.07 3hac s PRO 510 N -2.73 1.57 0.41 2.03 0.04 -1.26 -4.26 135.00 130.79 3hac s PRO 510 Ca 0.49 0.51 0.08 0.00 0.04 0.00 0.00 61.00 62.11 3hac s PRO 510 Cb -0.12 -1.87 -0.04 0.00 0.04 0.00 0.00 34.50 32.51 3hac s PRO 510 CO 0.19 -1.95 0.24 -1.54 0.04 0.00 0.00 177.00 173.98 3hac s SER 511 N -3.90 4.65 -0.11 6.66 1.04 -0.62 -4.92 113.70 116.51 3hac s SER 511 Ca 0.62 -0.94 0.02 0.00 0.48 0.00 0.00 55.95 56.14 3hac s SER 511 Cb -0.15 -0.54 0.01 0.00 0.10 0.00 0.00 66.02 65.44 3hac s SER 511 CO 0.54 -0.55 -0.17 -0.75 0.98 0.00 0.00 173.24 173.30 3hac s LYS 512 N -3.97 2.35 -0.21 4.02 2.20 -1.26 -0.20 119.74 122.67 3hac s LYS 512 Ca 0.43 -0.61 -0.10 0.00 -0.36 0.00 0.00 55.97 55.33 3hac s LYS 512 Cb 0.01 -1.94 -0.05 0.00 -1.51 0.00 0.00 37.83 34.34 3hac s LYS 512 CO 0.24 -0.02 0.12 0.21 -0.36 0.00 0.00 175.35 175.55 3hac s LYS 513 N 0.85 4.10 -0.15 4.03 2.20 -0.35 -4.96 119.74 125.47 3hac s LYS 513 Ca -0.09 -0.26 0.00 0.00 -0.36 0.00 0.00 55.97 55.26 3hac s LYS 513 Cb -0.15 -3.41 -0.00 0.00 -1.51 0.00 0.00 37.83 32.75 3hac s LYS 513 CO 0.00 0.21 -0.15 -1.17 -0.36 0.00 0.00 175.35 173.88 3hac s LEU 514 N 0.60 2.48 0.00 5.43 2.96 -1.26 -0.43 118.68 128.46 3hac s LEU 514 Ca 0.07 -0.46 -0.02 0.00 -0.22 0.00 0.00 54.13 53.50 3hac s LEU 514 Cb -0.12 -1.56 0.01 0.00 0.50 0.00 0.00 46.19 45.01 3hac s LEU 514 CO 0.00 0.09 0.11 -0.67 -1.32 0.00 0.00 176.35 174.56 3hac n ASP 515 N 4.01 -0.31 -4.08 3.68 -0.08 -0.59 -5.02 116.55 114.16 3hac n ASP 515 Ca -0.19 -1.23 -0.09 0.00 -1.51 0.00 0.00 54.79 51.77 3hac n ASP 515 Cb 0.52 0.52 -0.10 0.00 2.34 0.00 0.00 41.12 44.39 3hac n ASP 515 CO 0.00 0.00 0.00 0.72 0.12 0.00 0.00 177.20 178.04 3hac s PHE 516 N -7.53 0.55 0.27 -0.67 -0.71 -1.26 -0.65 117.98 107.97 3hac s PHE 516 Ca 0.03 -0.86 0.12 0.00 -1.04 0.00 0.00 56.93 55.17 3hac s PHE 516 Cb -0.01 -0.37 -0.05 0.00 -1.21 0.00 0.00 43.02 41.38 3hac s PHE 516 CO 0.02 -0.26 -0.20 0.96 -1.34 0.00 0.00 175.22 174.40 3hac s ILE 517 N -3.05 2.51 -0.19 -4.49 -4.36 0.09 -4.95 121.20 106.76 3hac s ILE 517 Ca 0.01 -2.33 -0.07 0.00 -0.26 0.00 0.00 60.65 57.99 3hac s ILE 517 Cb 0.02 -2.30 -0.04 0.00 1.25 0.00 0.00 42.46 41.38 3hac s ILE 517 CO -0.06 -0.36 0.06 -0.63 0.24 0.00 0.00 174.94 174.20 3hac s ILE 518 N -2.39 4.76 -0.17 8.37 1.01 -1.26 -0.84 121.20 130.68 3hac s ILE 518 Ca 0.29 -0.04 0.00 0.00 0.00 0.00 0.00 60.65 60.90 3hac s ILE 518 Cb -0.05 -3.15 0.03 0.00 0.01 0.00 0.00 42.46 39.30 3hac s ILE 518 CO 0.15 0.45 -0.12 -0.76 0.00 0.00 0.00 174.94 174.66 3hac s LEU 519 N 0.50 1.90 -1.21 2.97 1.43 0.10 -4.86 118.68 119.49 3hac s LEU 519 Ca 0.03 -0.65 -0.01 0.00 -1.03 0.00 0.00 54.13 52.47 3hac s LEU 519 Cb -0.13 -1.16 -0.01 0.00 0.03 0.00 0.00 46.19 44.92 3hac s LEU 519 CO 0.01 -0.11 0.92 -3.20 0.23 0.00 0.00 176.35 174.20 3hac n ASN 520 N 4.75 -2.24 0.00 2.29 2.85 -1.26 -1.50 115.26 120.15 3hac n ASN 520 Ca -0.15 -0.68 0.00 0.00 -0.11 0.00 0.00 54.58 53.63 3hac n ASN 520 Cb 0.48 -4.85 0.00 0.00 1.24 0.00 0.00 39.78 36.65 3hac n ASN 520 CO 0.00 0.00 0.00 -0.62 -2.11 0.00 0.00 177.26 174.53 3hac n GLU 521 N -4.09 -1.03 -4.77 1.20 4.71 -1.26 -4.99 120.64 110.40 3hac n GLU 521 Ca -0.27 0.26 -0.33 0.00 -0.01 0.00 0.00 57.16 56.81 3hac n GLU 521 Cb 0.67 -4.39 -0.13 0.00 -1.01 0.00 0.00 31.44 26.58 3hac n GLU 521 CO 0.00 0.00 0.00 0.99 0.09 0.00 0.00 177.13 178.21 3hac s THR 522 N -1.37 3.24 0.10 2.62 2.01 -0.56 -5.11 115.64 116.57 3hac s THR 522 Ca 0.00 -0.63 -0.27 0.00 0.31 0.00 0.00 61.69 61.10 3hac s THR 522 Cb 0.00 -2.32 -0.06 0.00 0.01 0.00 0.00 72.50 70.13 3hac s THR 522 CO 0.00 0.57 0.85 -1.59 -0.69 0.00 0.00 174.62 173.75 3hac s LYS 523 N -0.34 4.60 -0.07 4.92 -2.85 -1.26 -0.73 119.74 124.02 3hac s LYS 523 Ca 0.04 1.24 0.02 0.00 -1.00 0.00 0.00 55.97 56.27 3hac s LYS 523 Cb -0.13 -3.35 0.01 0.00 -2.06 0.00 0.00 37.83 32.31 3hac s LYS 523 CO 0.02 0.31 -0.13 -0.06 0.10 0.00 0.00 175.35 175.59 3hac s PHE 524 N -0.24 1.52 0.19 1.78 0.40 -0.02 -4.97 117.98 116.64 3hac s PHE 524 Ca 0.41 -0.56 -0.14 0.00 -0.60 0.00 0.00 56.93 56.04 3hac s PHE 524 Cb -0.22 -1.11 -0.07 0.00 0.51 0.00 0.00 43.02 42.13 3hac s PHE 524 CO 0.26 -0.28 0.58 -1.58 0.70 0.00 0.00 175.22 174.90 3hac s TRP 525 N 0.64 3.55 0.12 0.36 0.52 -1.25 -0.73 118.94 122.15 3hac s TRP 525 Ca -0.15 1.06 0.01 0.00 0.02 0.00 0.00 56.10 57.04 3hac s TRP 525 Cb -0.16 -2.38 -0.04 0.00 -1.15 0.00 0.00 33.47 29.74 3hac s TRP 525 CO 0.04 0.36 -0.03 1.52 0.02 0.00 0.00 176.95 178.86 3hac s TYR 526 N -1.60 0.97 0.10 -1.98 -0.85 0.18 -0.92 117.35 113.26 3hac s TYR 526 Ca 0.42 -1.00 0.07 0.00 -0.52 0.00 0.00 57.07 56.04 3hac s TYR 526 Cb -0.14 -0.56 -0.03 0.00 0.38 0.00 0.00 41.96 41.60 3hac s TYR 526 CO 0.20 -0.23 -0.17 1.14 -1.52 0.00 0.00 175.55 174.96 3hac s GLN 527 N -3.89 1.03 -0.07 -3.49 -2.07 -0.19 -1.54 119.66 109.42 3hac s GLN 527 Ca 0.17 -1.14 0.03 0.00 -1.82 0.00 0.00 55.36 52.60 3hac s GLN 527 Cb 0.06 -1.11 0.01 0.00 -1.09 0.00 0.00 33.01 30.88 3hac s GLN 527 CO -0.01 0.24 -0.15 -1.64 -1.32 0.00 0.00 175.29 172.41 3hac s MET 528 N -2.11 2.01 -0.34 9.60 -1.94 0.42 -1.16 119.30 125.79 3hac s MET 528 Ca 0.05 -0.52 -0.21 0.00 -1.71 0.00 0.00 55.69 53.30 3hac s MET 528 Cb -0.08 -1.62 0.00 0.00 2.01 0.00 0.00 34.83 35.14 3hac s MET 528 CO 0.04 0.06 0.68 0.42 -0.01 0.00 0.00 175.02 176.20 3hac s ILE 529 N 0.60 4.87 -0.13 2.53 -1.09 0.11 -1.21 121.20 126.89 3hac s ILE 529 Ca -0.15 0.78 -0.04 0.00 -2.23 0.00 0.00 60.65 59.00 3hac s ILE 529 Cb -0.16 -4.08 -0.04 0.00 -1.58 0.00 0.00 42.46 36.60 3hac s ILE 529 CO 0.05 -0.28 0.03 -0.76 -1.23 0.00 0.00 174.94 172.75 3hac s LEU 530 N 2.77 3.68 0.64 2.97 1.43 0.72 -1.89 118.68 129.00 3hac s LEU 530 Ca 0.27 0.12 -0.17 0.00 -1.03 0.00 0.00 54.13 53.31 3hac s LEU 530 Cb -0.14 -1.88 -0.06 0.00 0.03 0.00 0.00 46.19 44.14 3hac s LEU 530 CO 0.14 0.29 0.64 -2.65 0.23 0.00 0.00 176.35 175.01 3hac n PRO 531 N 2.73 0.52 -1.66 1.29 -0.02 -1.26 -1.59 135.00 135.01 3hac n PRO 531 Ca -0.18 0.21 -0.38 0.00 -2.02 0.00 0.00 63.50 61.14 3hac n PRO 531 Cb 0.53 -1.87 0.06 0.00 -0.02 0.00 0.00 33.50 32.20 3hac n PRO 531 CO 0.00 0.00 0.00 -0.35 1.98 0.00 0.00 175.50 177.13 3hac n PRO 532 N -0.59 1.07 -3.39 0.52 -0.04 -1.26 -2.58 135.00 128.73 3hac n PRO 532 Ca 0.12 0.41 -0.25 0.00 -0.04 0.00 0.00 63.50 63.74 3hac n PRO 532 Cb 0.48 -2.32 0.03 0.00 -0.04 0.00 0.00 33.50 31.65 3hac n PRO 532 CO 0.00 0.00 0.00 0.72 -0.04 0.00 0.00 175.50 176.18 3hac n HIS 533 N -1.66 -2.12 -1.67 0.54 8.25 -1.26 -4.85 115.22 112.45 3hac n HIS 533 Ca 0.14 0.66 -0.53 0.00 -0.26 0.00 0.00 57.72 57.73 3hac n HIS 533 Cb 0.47 -4.02 -0.06 0.00 1.12 0.00 0.00 29.99 27.50 3hac n HIS 533 CO 0.00 0.00 0.00 0.34 0.64 0.00 0.00 176.34 177.32 3hac n PHE 534 N -4.46 2.02 -3.87 4.41 7.35 -1.07 -4.95 117.46 116.88 3hac n PHE 534 Ca -0.03 0.41 -0.35 0.00 -0.76 0.00 0.00 57.45 56.72 3hac n PHE 534 Cb 0.57 -2.49 -0.13 0.00 0.35 0.00 0.00 39.48 37.78 3hac n PHE 534 CO 0.00 0.00 0.00 0.34 -0.76 0.00 0.00 176.76 176.34 3hac s ASP 535 N 2.69 5.03 0.00 -2.13 3.68 -1.26 -4.98 116.67 119.71 3hac s ASP 535 Ca 0.92 -1.84 0.04 0.00 2.13 0.00 0.00 52.55 53.79 3hac s ASP 535 Cb -0.92 -1.75 0.17 0.00 -1.45 0.00 0.00 42.92 38.98 3hac s ASP 535 CO 0.55 -0.42 1.00 2.29 0.13 0.00 0.00 175.17 178.72 3hac n LYS 536 N 4.52 0.04 -0.02 4.34 2.85 -1.26 -0.40 118.16 128.22 3hac n LYS 536 Ca -0.04 0.31 0.13 0.00 -1.05 0.00 0.00 58.31 57.66 3hac n LYS 536 Cb 0.42 -1.50 0.30 0.00 -0.65 0.00 0.00 35.03 33.60 3hac n LYS 536 CO 0.00 0.00 0.00 -1.13 -0.05 0.00 0.00 177.40 176.22 3hac n SER 537 N -1.36 2.36 -4.84 -5.58 3.41 -1.26 -4.15 113.62 102.20 3hac n SER 537 Ca 0.01 -1.78 -0.23 0.00 -0.26 0.00 0.00 58.87 56.61 3hac n SER 537 Cb 0.03 -0.03 -0.04 0.00 -0.26 0.00 0.00 64.21 63.91 3hac n SER 537 CO 0.00 0.00 0.00 -0.54 -0.16 0.00 0.00 175.04 174.34 3hac s LYS 538 N -1.94 3.01 -0.25 4.33 1.02 0.46 -5.02 119.74 121.35 3hac s LYS 538 Ca 0.33 -0.95 -0.08 0.00 0.02 0.00 0.00 55.97 55.29 3hac s LYS 538 Cb 0.20 -2.64 -0.03 0.00 -0.52 0.00 0.00 37.83 34.84 3hac s LYS 538 CO 0.31 0.43 0.09 0.15 -0.92 0.00 0.00 175.35 175.41 3hac s LYS 539 N -3.65 3.75 0.07 1.68 -0.14 -1.26 -4.15 119.74 116.03 3hac s LYS 539 Ca 0.33 -0.43 0.03 0.00 -1.36 0.00 0.00 55.97 54.54 3hac s LYS 539 Cb -0.09 -3.37 -0.04 0.00 -1.68 0.00 0.00 37.83 32.65 3hac s LYS 539 CO 0.25 -0.13 0.03 0.71 -0.76 0.00 0.00 175.35 175.45 3hac s TYR 540 N 1.50 3.08 0.76 3.18 2.02 0.81 -4.67 117.35 124.03 3hac s TYR 540 Ca 0.06 0.03 -0.11 0.00 -0.37 0.00 0.00 57.07 56.68 3hac s TYR 540 Cb -0.15 -1.59 0.05 0.00 -0.40 0.00 0.00 41.96 39.87 3hac s TYR 540 CO 0.05 0.49 1.09 -1.25 -1.57 0.00 0.00 175.55 174.36 3hac s PRO 541 N -2.19 2.34 -0.05 -1.71 0.04 -1.26 -0.34 135.00 131.83 3hac s PRO 541 Ca 0.26 1.18 0.01 0.00 0.04 0.00 0.00 61.00 62.48 3hac s PRO 541 Cb -0.12 -1.91 0.02 0.00 0.04 0.00 0.00 34.50 32.54 3hac s PRO 541 CO 0.18 -1.58 -0.04 -1.17 0.04 0.00 0.00 177.00 174.43 3hac s LEU 542 N -5.80 1.23 -0.24 -3.56 0.20 -0.38 -1.68 118.68 108.44 3hac s LEU 542 Ca 0.61 -0.13 -0.08 0.00 0.69 0.00 0.00 54.13 55.23 3hac s LEU 542 Cb -0.17 -0.47 -0.03 0.00 -0.43 0.00 0.00 46.19 45.09 3hac s LEU 542 CO 0.55 -0.07 0.08 -0.22 -0.29 0.00 0.00 176.35 176.39 3hac s LEU 543 N 1.09 3.54 -0.37 -0.68 2.96 0.64 -0.51 118.68 125.34 3hac s LEU 543 Ca -0.08 -0.15 -0.23 0.00 -0.22 0.00 0.00 54.13 53.45 3hac s LEU 543 Cb -0.14 -1.94 0.01 0.00 0.50 0.00 0.00 46.19 44.62 3hac s LEU 543 CO -0.01 -0.01 0.76 -0.22 -1.32 0.00 0.00 176.35 175.56 3hac s LEU 544 N 1.45 4.16 -0.39 -0.68 2.96 0.86 -0.88 118.68 126.16 3hac s LEU 544 Ca 0.06 0.26 -0.17 0.00 -0.22 0.00 0.00 54.13 54.06 3hac s LEU 544 Cb -0.15 -2.98 0.01 0.00 0.50 0.00 0.00 46.19 43.57 3hac s LEU 544 CO 0.04 -0.74 0.42 -0.62 -1.32 0.00 0.00 176.35 174.14 3hac s ASP 545 N 1.87 6.20 -0.02 3.68 -1.08 0.90 -0.60 116.67 127.62 3hac s ASP 545 Ca 0.30 -0.45 0.07 0.00 -0.52 0.00 0.00 52.55 51.95 3hac s ASP 545 Cb -0.13 -2.22 -0.02 0.00 -1.46 0.00 0.00 42.92 39.09 3hac s ASP 545 CO 0.17 -0.49 -0.23 0.68 0.52 0.00 0.00 175.17 175.82 3hac s VAL 546 N 2.13 2.32 0.00 1.11 -7.23 0.16 -4.36 120.40 114.54 3hac s VAL 546 Ca 0.13 -1.02 0.00 0.00 -1.81 0.00 0.00 61.98 59.28 3hac s VAL 546 Cb -0.17 -1.84 0.00 0.00 0.56 0.00 0.00 36.38 34.94 3hac s VAL 546 CO 0.13 0.57 0.00 0.00 -0.31 0.00 0.00 175.10 175.49 3hac n TYR 547 N 2.37 0.00 -1.14 2.82 9.36 -1.26 -4.24 117.16 125.07 3hac n TYR 547 Ca -0.16 0.00 -0.05 0.00 3.32 0.00 0.00 57.90 61.01 3hac n TYR 547 Cb 0.51 0.00 -0.02 0.00 -0.63 0.00 0.00 39.34 39.20 3hac n TYR 547 CO 0.00 0.00 0.00 0.00 0.22 0.00 0.00 176.86 177.08 3hac n ALA 548 N -1.87 -0.08 -0.90 2.98 0.00 -1.26 -3.11 120.51 116.27 3hac n ALA 548 Ca 0.00 0.08 -0.30 0.00 0.00 0.00 0.00 53.44 53.22 3hac n ALA 548 Cb 0.00 -0.93 0.17 0.00 0.00 0.00 0.00 19.45 18.69 3hac n ALA 548 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.50 177.70 3hac s GLY 549 N -2.50 1.63 0.12 0.00 0.00 -1.26 -4.84 107.32 100.47 3hac s GLY 549 Ca 0.00 0.17 -0.33 0.00 0.00 0.00 0.00 44.72 44.57 3hac s GLY 549 CO 0.00 0.67 1.73 -1.55 0.00 0.00 0.00 173.10 173.96 3hac n PRO 550 N -4.18 2.48 -1.26 2.90 -0.04 -1.26 -1.33 135.00 132.30 3hac n PRO 550 Ca 0.08 0.90 -0.08 0.00 -0.04 0.00 0.00 63.50 64.35 3hac n PRO 550 Cb 0.54 -2.73 -0.03 0.00 -0.04 0.00 0.00 33.50 31.23 3hac n PRO 550 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 3hac s SER 552 N -2.91 5.84 -0.19 0.00 1.04 -0.44 -3.82 113.70 113.23 3hac s SER 552 Ca 0.00 1.25 -0.04 0.00 0.48 0.00 0.00 55.95 57.64 3hac s SER 552 Cb 0.00 -2.19 0.09 0.00 0.10 0.00 0.00 66.02 64.02 3hac s SER 552 CO 0.00 -1.09 0.31 -1.58 0.98 0.00 0.00 173.24 171.86 3hac s GLN 553 N -5.25 0.24 0.00 4.02 0.74 -1.26 -0.33 119.66 117.81 3hac s GLN 553 Ca 0.56 0.62 0.07 0.00 0.05 0.00 0.00 55.36 56.67 3hac s GLN 553 Cb -0.11 -0.34 0.01 0.00 1.10 0.00 0.00 33.01 33.67 3hac s GLN 553 CO 0.52 -0.45 0.57 1.63 -0.55 0.00 0.00 175.29 177.01 3hac n LYS 554 N 5.35 1.83 -3.85 1.67 4.76 -1.26 -4.87 118.16 121.79 3hac n LYS 554 Ca -0.06 -0.59 -0.36 0.00 -2.87 0.00 0.00 58.31 54.43 3hac n LYS 554 Cb 0.50 -1.02 -0.13 0.00 -1.84 0.00 0.00 35.03 32.54 3hac n LYS 554 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 3hac s ALA 555 N -1.00 2.90 0.34 7.82 0.00 -1.26 -4.76 121.76 125.80 3hac s ALA 555 Ca 0.06 -1.77 -0.06 0.00 0.00 0.00 0.00 51.96 50.19 3hac s ALA 555 Cb 0.06 -2.07 0.03 0.00 0.00 0.00 0.00 23.12 21.14 3hac s ALA 555 CO 0.16 -1.31 0.56 -0.40 0.00 0.00 0.00 175.76 174.77 3hac n ASP 556 N 4.69 -1.59 -1.64 0.00 5.68 -1.26 -4.44 116.55 117.99 3hac n ASP 556 Ca -0.13 -2.65 0.08 0.00 -0.50 0.00 0.00 54.79 51.60 3hac n ASP 556 Cb 0.44 2.81 0.36 0.00 -1.14 0.00 0.00 41.12 43.59 3hac n ASP 556 CO 0.00 0.00 0.00 0.35 -1.33 0.00 0.00 177.20 176.22 3hac n THR 557 N -0.52 2.04 -2.63 2.12 -2.24 -0.89 -4.95 114.28 107.20 3hac n THR 557 Ca -0.03 -1.19 -0.41 0.00 -2.27 0.00 0.00 64.05 60.15 3hac n THR 557 Cb 0.55 -0.03 -0.04 0.00 -2.10 0.00 0.00 70.33 68.71 3hac n THR 557 CO 0.00 0.00 0.00 -0.69 -0.57 0.00 0.00 175.07 173.81 3hac s VAL 558 N -2.11 4.35 -0.10 2.28 1.01 -1.26 -1.39 120.40 123.18 3hac s VAL 558 Ca 0.50 1.88 -0.30 0.00 0.00 0.00 0.00 61.98 64.06 3hac s VAL 558 Cb 0.34 -4.20 -0.02 0.00 0.00 0.00 0.00 36.38 32.51 3hac s VAL 558 CO 0.21 0.25 1.08 0.12 0.00 0.00 0.00 175.10 176.76 3hac s PHE 559 N 0.28 3.37 0.01 5.22 5.36 -0.37 -4.92 117.98 126.92 3hac s PHE 559 Ca 0.50 1.44 0.03 0.00 -0.96 0.00 0.00 56.93 57.94 3hac s PHE 559 Cb -0.25 -3.28 -0.01 0.00 -0.34 0.00 0.00 43.02 39.13 3hac s PHE 559 CO 0.31 -0.66 -0.11 1.03 -1.46 0.00 0.00 175.22 174.33 3hac s ARG 560 N 2.25 0.82 -0.38 10.12 0.52 -1.26 -4.91 118.95 126.12 3hac s ARG 560 Ca 0.51 -0.50 -0.03 0.00 -0.52 0.00 0.00 55.73 55.19 3hac s ARG 560 Cb -0.20 -0.79 0.09 0.00 0.52 0.00 0.00 34.95 34.57 3hac s ARG 560 CO 0.18 0.21 0.15 -0.51 0.02 0.00 0.00 175.30 175.35 3hac s LEU 561 N -0.58 4.84 0.00 2.53 1.43 -1.26 -4.85 118.68 120.78 3hac s LEU 561 Ca 0.02 -1.73 0.00 0.00 -1.03 0.00 0.00 54.13 51.39 3hac s LEU 561 Cb -0.05 -1.82 0.00 0.00 0.03 0.00 0.00 46.19 44.35 3hac s LEU 561 CO 0.00 -0.46 0.00 -0.46 0.23 0.00 0.00 176.35 175.67 3hac n ASN 562 N 4.64 0.00 -0.34 2.29 0.23 -1.26 -5.00 115.26 115.82 3hac n ASN 562 Ca -0.06 -0.69 -0.03 0.00 -0.53 0.00 0.00 54.58 53.26 3hac n ASN 562 Cb 0.42 0.00 0.09 0.00 -2.08 0.00 0.00 39.78 38.22 3hac n ASN 562 CO 0.00 0.00 0.00 -0.25 -0.93 0.00 0.00 177.26 176.08 3hac h TRP 563 N 0.69 1.15 -0.71 -2.53 7.01 -1.97 -1.96 115.95 117.62 3hac h TRP 563 Ca 0.00 0.03 0.06 0.00 2.11 0.00 0.00 58.89 61.08 3hac h TRP 563 Cb 0.00 -0.39 -0.04 0.00 -2.10 0.00 0.00 29.16 26.63 3hac h TRP 563 CO 0.00 0.72 0.47 0.00 -2.79 0.00 0.00 178.44 176.84 3hac h ALA 564 N 1.34 1.67 -0.55 2.65 0.00 -1.98 -1.31 119.26 121.08 3hac h ALA 564 Ca 0.34 -0.02 0.05 0.00 0.00 0.00 0.00 54.91 55.27 3hac h ALA 564 Cb -0.14 -0.21 -0.05 0.00 0.00 0.00 0.00 17.79 17.40 3hac h ALA 564 CO -0.07 0.22 0.28 1.15 0.00 0.00 0.00 179.25 180.83 3hac h THR 565 N 0.78 0.94 -0.22 0.00 2.02 -1.69 -1.44 112.91 113.30 3hac h THR 565 Ca 0.30 -0.18 -0.02 0.00 0.77 0.00 0.00 66.41 67.28 3hac h THR 565 Cb 0.20 0.36 -0.01 0.00 -1.74 0.00 0.00 68.15 66.97 3hac h THR 565 CO -0.10 0.10 0.05 0.22 0.37 0.00 0.00 175.52 176.16 3hac h TYR 566 N 0.53 0.38 -0.83 3.16 3.20 -1.28 0.20 116.97 122.33 3hac h TYR 566 Ca 0.25 -0.05 0.02 0.00 3.14 0.00 0.00 58.73 62.09 3hac h TYR 566 Cb 0.17 -0.11 -0.05 0.00 1.54 0.00 0.00 36.73 38.29 3hac h TYR 566 CO -0.10 0.46 0.54 -0.07 -1.64 0.00 0.00 178.16 177.35 3hac h LEU 567 N 0.18 0.91 -0.04 2.82 3.38 -1.00 0.68 115.31 122.24 3hac h LEU 567 Ca 0.07 -0.01 -0.06 0.00 0.09 0.00 0.00 57.88 57.97 3hac h LEU 567 Cb 0.28 -0.22 0.00 0.00 0.09 0.00 0.00 40.66 40.82 3hac h LEU 567 CO 0.00 0.64 -0.21 0.00 0.09 0.00 0.00 178.44 178.96 3hac h ALA 568 N 1.33 0.07 -0.15 1.53 0.00 -1.25 -1.59 119.26 119.19 3hac h ALA 568 Ca 0.32 -0.41 -0.07 0.00 0.00 0.00 0.00 54.91 54.74 3hac h ALA 568 Cb -0.06 -0.00 -0.00 0.00 0.00 0.00 0.00 17.79 17.73 3hac h ALA 568 CO -0.09 0.06 -0.19 1.03 0.00 0.00 0.00 179.25 180.06 3hac h SER 569 N -0.37 0.42 0.05 0.00 0.87 -0.74 -2.76 113.55 111.03 3hac h SER 569 Ca -0.02 -0.51 -0.37 0.00 -1.23 0.00 0.00 61.79 59.67 3hac h SER 569 Cb 0.88 -0.12 -0.04 0.00 -0.44 0.00 0.00 62.40 62.68 3hac h SER 569 CO 0.04 0.85 -2.13 0.41 -0.53 0.00 0.00 176.83 175.47 3hac n THR 570 N -4.50 1.62 1.06 2.23 -1.04 0.21 -4.54 114.28 109.32 3hac n THR 570 Ca -0.06 -0.51 0.12 0.00 -2.04 0.00 0.00 64.05 61.55 3hac n THR 570 Cb 0.40 -1.69 0.08 0.00 -1.82 0.00 0.00 70.33 67.30 3hac n THR 570 CO 0.00 0.00 0.00 -0.62 -0.64 0.00 0.00 175.07 173.81 3hac n GLU 571 N -3.63 1.23 -3.59 -2.82 -0.58 -0.89 -4.98 120.64 105.38 3hac n GLU 571 Ca -0.40 -0.97 -0.23 0.00 -0.42 0.00 0.00 57.16 55.14 3hac n GLU 571 Cb 0.96 -1.48 0.08 0.00 -0.57 0.00 0.00 31.44 30.43 3hac n GLU 571 CO 0.00 0.00 0.00 0.09 -0.48 0.00 0.00 177.13 176.74 3hac n ASN 572 N -0.04 -5.92 -4.60 1.62 5.03 -0.66 -4.94 115.26 105.75 3hac n ASN 572 Ca 0.10 -0.55 -0.34 0.00 0.87 0.00 0.00 54.58 54.66 3hac n ASN 572 Cb 0.45 -5.02 -0.10 0.00 -1.02 0.00 0.00 39.78 34.09 3hac n ASN 572 CO 0.00 0.00 0.00 -0.63 -1.83 0.00 0.00 177.26 174.80 3hac s ILE 573 N -3.32 4.32 -0.02 2.41 1.01 -0.81 -4.48 121.20 120.31 3hac s ILE 573 Ca 0.53 -0.21 -0.30 0.00 0.00 0.00 0.00 60.65 60.67 3hac s ILE 573 Cb -0.23 -2.89 -0.03 0.00 0.01 0.00 0.00 42.46 39.31 3hac s ILE 573 CO 0.73 0.52 1.07 -0.63 0.00 0.00 0.00 174.94 176.63 3hac s ILE 574 N -0.00 4.56 -0.33 2.92 1.01 -0.68 -3.42 121.20 125.26 3hac s ILE 574 Ca 0.03 1.84 -0.05 0.00 0.00 0.00 0.00 60.65 62.47 3hac s ILE 574 Cb -0.13 -4.18 0.04 0.00 0.01 0.00 0.00 42.46 38.20 3hac s ILE 574 CO 0.02 0.09 0.08 -0.69 0.00 0.00 0.00 174.94 174.44 3hac s VAL 575 N 1.43 3.62 0.10 2.92 1.01 -0.79 -0.26 120.40 128.43 3hac s VAL 575 Ca 0.53 -1.14 0.06 0.00 0.00 0.00 0.00 61.98 61.43 3hac s VAL 575 Cb -0.23 -3.03 -0.04 0.00 0.00 0.00 0.00 36.38 33.08 3hac s VAL 575 CO 0.25 -0.13 -0.04 0.00 0.00 0.00 0.00 175.10 175.18 3hac s ALA 576 N 1.38 3.16 0.03 5.51 0.00 -0.06 0.09 121.76 131.87 3hac s ALA 576 Ca -0.02 -1.18 0.01 0.00 0.00 0.00 0.00 51.96 50.77 3hac s ALA 576 Cb -0.19 -1.07 -0.02 0.00 0.00 0.00 0.00 23.12 21.84 3hac s ALA 576 CO 0.02 0.67 -0.05 -1.12 0.00 0.00 0.00 175.76 175.28 3hac s SER 577 N -2.30 0.53 -0.00 0.00 0.01 -0.31 -0.07 113.70 111.56 3hac s SER 577 Ca 0.24 -0.57 0.00 0.00 1.31 0.00 0.00 55.95 56.93 3hac s SER 577 Cb -0.11 0.08 0.00 0.00 0.21 0.00 0.00 66.02 66.20 3hac s SER 577 CO 0.17 -0.29 -0.01 0.12 0.41 0.00 0.00 173.24 173.64 3hac s PHE 578 N -1.67 0.11 -0.39 2.43 5.36 -1.26 -1.02 117.98 121.53 3hac s PHE 578 Ca -0.11 -0.01 -0.06 0.00 -0.96 0.00 0.00 56.93 55.79 3hac s PHE 578 Cb -0.08 -0.10 0.08 0.00 -0.34 0.00 0.00 43.02 42.58 3hac s PHE 578 CO -0.01 -0.01 0.20 -0.51 -1.46 0.00 0.00 175.22 173.42 3hac s ASP 579 N 0.08 5.38 0.00 6.13 1.01 -0.10 -4.79 116.67 124.39 3hac s ASP 579 Ca -0.01 -1.63 0.00 0.00 0.71 0.00 0.00 52.55 51.62 3hac s ASP 579 Cb -0.02 -1.89 0.00 0.00 1.01 0.00 0.00 42.92 42.02 3hac s ASP 579 CO -0.00 -0.49 0.00 0.61 0.21 0.00 0.00 175.17 175.50 3hac n GLY 580 N 4.76 2.89 3.77 0.21 0.00 -1.26 -3.89 105.19 111.68 3hac n GLY 580 Ca -0.08 -1.96 -0.40 0.00 0.00 0.00 0.00 46.02 43.58 3hac n GLY 580 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3hac n ARG 581 N 0.00 2.43 0.00 1.61 1.74 -1.26 -1.71 116.66 119.47 3hac n ARG 581 Ca 0.00 0.86 0.00 0.00 -0.77 0.00 0.00 57.85 57.94 3hac n ARG 581 Cb 0.00 -2.66 0.00 0.00 -1.02 0.00 0.00 32.46 28.78 3hac n ARG 581 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 3hac n GLY 582 N 0.52 2.48 3.77 -0.13 0.00 0.67 -4.11 105.19 108.39 3hac n GLY 582 Ca 0.04 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.75 3hac n GLY 582 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3hac s SER 583 N -1.92 4.44 0.58 1.61 1.04 -0.69 0.02 113.70 118.77 3hac s SER 583 Ca 0.00 1.67 0.04 0.00 0.48 0.00 0.00 55.95 58.13 3hac s SER 583 Cb 0.00 -2.40 0.07 0.00 0.10 0.00 0.00 66.02 63.79 3hac s SER 583 CO 0.00 -2.05 0.80 -0.83 0.98 0.00 0.00 173.24 172.13 3hac s GLY 584 N -3.52 1.81 -0.71 7.32 0.00 0.55 -3.72 107.32 109.06 3hac s GLY 584 Ca 0.61 -1.68 0.00 0.00 0.00 0.00 0.00 44.72 43.65 3hac s GLY 584 CO 0.56 -1.30 0.00 -1.72 0.00 0.00 0.00 173.10 170.64 3hac n TYR 585 N -2.36 0.00 -1.49 1.90 4.01 -1.26 -4.83 117.16 113.12 3hac n TYR 585 Ca 0.12 0.00 0.04 0.00 -0.16 0.00 0.00 57.90 57.89 3hac n TYR 585 Cb 0.60 -1.61 0.05 0.00 -0.31 0.00 0.00 39.34 38.07 3hac n TYR 585 CO 0.00 0.00 0.00 1.04 -0.46 0.00 0.00 176.86 177.44 3hac n GLN 586 N -2.15 0.62 0.00 -0.72 6.02 -1.26 -4.39 117.38 115.49 3hac n GLN 586 Ca -0.07 -1.58 0.00 0.00 -0.01 0.00 0.00 57.00 55.35 3hac n GLN 586 Cb 0.30 -0.89 0.00 0.00 1.02 0.00 0.00 30.24 30.67 3hac n GLN 586 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 3hac n GLY 587 N -0.56 0.91 0.19 1.08 0.00 -1.26 -4.60 105.19 100.95 3hac n GLY 587 Ca 0.06 -1.76 0.05 0.00 0.00 0.00 0.00 46.02 44.38 3hac n GLY 587 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 3hac h ASP 588 N 0.00 0.00 -0.69 1.61 3.32 -0.29 -1.78 116.42 118.59 3hac h ASP 588 Ca 0.00 0.00 0.12 0.00 0.02 0.00 0.00 57.03 57.17 3hac h ASP 588 Cb 0.00 0.00 -0.09 0.00 0.22 0.00 0.00 39.33 39.46 3hac h ASP 588 CO 0.00 0.37 0.24 0.50 -1.72 0.00 0.00 179.24 178.63 3hac h LYS 589 N 0.00 0.38 0.00 3.56 3.64 -1.85 0.17 116.57 122.47 3hac h LYS 589 Ca -0.00 -0.02 -0.00 0.00 -1.27 0.00 0.00 60.65 59.35 3hac h LYS 589 Cb 0.82 -0.09 0.00 0.00 -0.41 0.00 0.00 32.23 32.56 3hac h LYS 589 CO 0.05 0.25 -0.00 0.82 -2.27 0.00 0.00 179.45 178.30 3hac h ILE 590 N 0.39 1.68 -0.44 2.00 2.04 -1.78 -3.28 117.51 118.12 3hac h ILE 590 Ca 0.37 -2.10 -0.06 0.00 1.00 0.00 0.00 64.86 64.07 3hac h ILE 590 Cb 0.53 3.08 -0.02 0.00 -0.74 0.00 0.00 36.82 39.68 3hac h ILE 590 CO -0.38 0.54 0.05 -0.03 0.00 0.00 0.00 178.15 178.33 3hac h MET 591 N -0.91 0.75 -0.05 2.37 4.05 -1.14 0.20 114.93 120.20 3hac h MET 591 Ca -0.00 -0.21 0.00 0.00 -0.28 0.00 0.00 59.70 59.21 3hac h MET 591 Cb 0.88 -0.08 0.00 0.00 -0.80 0.00 0.00 31.60 31.60 3hac h MET 591 CO 0.00 0.79 0.00 0.72 0.23 0.00 0.00 176.91 178.65 3hac n HIS 592 N -4.45 0.06 0.23 1.39 8.25 0.57 -3.98 115.22 117.28 3hac n HIS 592 Ca 0.00 -0.03 0.13 0.00 -0.26 0.00 0.00 57.72 57.57 3hac n HIS 592 Cb 0.26 0.00 0.77 0.00 1.12 0.00 0.00 29.99 32.14 3hac n HIS 592 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 3hac h ALA 593 N 3.87 1.88 -0.66 -1.41 0.00 -1.57 -0.55 119.26 120.81 3hac h ALA 593 Ca 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 3hac h ALA 593 Cb 0.19 0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.98 3hac h ALA 593 CO 0.00 -0.14 0.00 0.44 0.00 0.00 0.00 179.25 179.55 3hac n ILE 594 N -4.17 1.07 -1.63 0.00 -6.64 -1.26 -4.92 119.36 101.82 3hac n ILE 594 Ca -0.01 -0.94 -0.50 0.00 -1.77 0.00 0.00 62.75 59.54 3hac n ILE 594 Cb 0.20 0.37 -0.05 0.00 -1.44 0.00 0.00 39.64 38.72 3hac n ILE 594 CO 0.00 0.00 0.00 -3.20 -1.77 0.00 0.00 176.55 171.58 3hac n ASN 595 N 1.38 2.32 -0.08 7.28 4.05 -0.22 -0.61 115.26 129.39 3hac n ASN 595 Ca 0.23 1.10 -0.01 0.00 0.45 0.00 0.00 54.58 56.35 3hac n ASN 595 Cb 0.63 -1.29 -0.00 0.00 1.23 0.00 0.00 39.78 40.34 3hac n ASN 595 CO 0.00 0.00 0.00 0.54 -3.05 0.00 0.00 177.26 174.75 3hac n ARG 596 N 3.10 -1.83 -2.69 1.20 1.74 0.24 -4.81 116.66 113.62 3hac n ARG 596 Ca 0.18 0.50 -0.07 0.00 -0.77 0.00 0.00 57.85 57.69 3hac n ARG 596 Cb 0.23 -4.88 0.05 0.00 -1.02 0.00 0.00 32.46 26.84 3hac n ARG 596 CO 0.00 0.00 0.00 0.54 -1.52 0.00 0.00 177.63 176.65 3hac n ARG 597 N 0.54 1.22 -1.61 5.56 5.12 0.22 -4.90 116.66 122.82 3hac n ARG 597 Ca -0.01 -3.03 -0.35 0.00 -1.93 0.00 0.00 57.85 52.53 3hac n ARG 597 Cb 0.47 -1.07 0.08 0.00 -1.16 0.00 0.00 32.46 30.78 3hac n ARG 597 CO 0.00 0.00 0.00 -0.51 -1.93 0.00 0.00 177.63 175.19 3hac s LEU 598 N -3.24 3.45 -0.65 0.55 1.43 -1.21 -3.08 118.68 115.93 3hac s LEU 598 Ca 0.26 2.46 0.00 0.00 -1.03 0.00 0.00 54.13 55.81 3hac s LEU 598 Cb 0.43 -4.60 0.00 0.00 0.03 0.00 0.00 46.19 42.05 3hac s LEU 598 CO 0.01 -2.10 0.00 0.61 0.23 0.00 0.00 176.35 175.10 3hac n GLY 599 N 0.59 0.62 0.00 -3.19 0.00 -1.26 -4.87 105.19 97.08 3hac n GLY 599 Ca 0.14 -0.71 0.00 0.00 0.00 0.00 0.00 46.02 45.46 3hac n GLY 599 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 3hac n THR 600 N -3.21 0.00 -0.02 2.61 -2.24 -1.18 -4.80 114.28 105.43 3hac n THR 600 Ca -0.07 0.00 0.01 0.00 -2.27 0.00 0.00 64.05 61.72 3hac n THR 600 Cb 0.33 0.00 0.33 0.00 -2.10 0.00 0.00 70.33 68.89 3hac n THR 600 CO 0.00 0.00 0.00 -0.26 -0.57 0.00 0.00 175.07 174.24 3hac h PHE 601 N 0.00 0.58 -0.05 4.78 0.04 -1.92 -1.15 116.94 119.22 3hac h PHE 601 Ca 0.00 -0.03 -0.13 0.00 2.80 0.00 0.00 57.97 60.62 3hac h PHE 601 Cb 0.00 -0.18 -0.01 0.00 2.20 0.00 0.00 35.95 37.96 3hac h PHE 601 CO 0.00 0.48 -0.55 1.05 -0.60 0.00 0.00 178.31 178.69 3hac h GLU 602 N 0.58 0.15 0.03 1.51 9.09 -1.91 0.19 114.58 124.21 3hac h GLU 602 Ca 0.14 -0.09 -0.00 0.00 0.05 0.00 0.00 59.36 59.46 3hac h GLU 602 Cb 0.16 0.01 0.00 0.00 -1.65 0.00 0.00 28.75 27.27 3hac h GLU 602 CO -0.01 0.66 -0.01 0.28 0.05 0.00 0.00 179.01 179.97 3hac h VAL 603 N 0.12 1.34 -0.88 -1.06 2.07 -1.69 -3.02 116.25 113.12 3hac h VAL 603 Ca -0.00 -1.21 0.09 0.00 0.82 0.00 0.00 66.70 66.40 3hac h VAL 603 Cb 1.00 2.14 -0.07 0.00 -1.52 0.00 0.00 31.29 32.84 3hac h VAL 603 CO 0.08 0.31 0.53 -0.33 0.02 0.00 0.00 177.57 178.18 3hac h GLU 604 N -0.57 0.88 -0.33 1.57 5.08 -1.14 -2.62 114.58 117.45 3hac h GLU 604 Ca -0.00 -0.05 -0.10 0.00 -1.00 0.00 0.00 59.36 58.21 3hac h GLU 604 Cb 0.53 -0.20 -0.01 0.00 0.50 0.00 0.00 28.75 29.57 3hac h GLU 604 CO 0.01 0.58 -0.20 -0.44 -1.00 0.00 0.00 179.01 177.96 3hac h ASP 605 N 0.91 0.61 -0.49 1.42 3.32 -1.02 -0.06 116.42 121.11 3hac h ASP 605 Ca 0.42 -0.20 -0.03 0.00 0.02 0.00 0.00 57.03 57.24 3hac h ASP 605 Cb 0.33 -0.17 -0.02 0.00 0.22 0.00 0.00 39.33 39.69 3hac h ASP 605 CO -0.23 0.82 0.19 1.56 -1.72 0.00 0.00 179.24 179.86 3hac h GLN 606 N 0.54 0.73 -0.62 3.56 1.08 -1.37 -0.09 115.11 118.96 3hac h GLN 606 Ca 0.08 -0.14 -0.00 0.00 -1.45 0.00 0.00 58.65 57.15 3hac h GLN 606 Cb 0.65 -0.12 -0.03 0.00 -0.05 0.00 0.00 27.48 27.93 3hac h GLN 606 CO 0.05 0.66 0.38 0.82 -0.95 0.00 0.00 178.83 179.79 3hac h ILE 607 N 0.65 1.18 -0.58 2.54 2.04 -1.17 -1.59 117.51 120.57 3hac h ILE 607 Ca 0.16 -0.37 -0.04 0.00 1.00 0.00 0.00 64.86 65.61 3hac h ILE 607 Cb 0.20 0.31 -0.02 0.00 -0.74 0.00 0.00 36.82 36.57 3hac h ILE 607 CO -0.01 0.18 0.20 -0.08 0.00 0.00 0.00 178.15 178.43 3hac h GLU 608 N 0.84 0.89 -0.15 2.37 4.57 -0.80 0.06 114.58 122.36 3hac h GLU 608 Ca 0.22 -0.18 0.03 0.00 -1.18 0.00 0.00 59.36 58.25 3hac h GLU 608 Cb -0.04 -0.13 -0.03 0.00 -0.16 0.00 0.00 28.75 28.39 3hac h GLU 608 CO -0.04 0.79 -0.03 0.00 -1.18 0.00 0.00 179.01 178.55 3hac h ALA 609 N 1.06 0.10 -0.51 2.92 0.00 -0.84 -0.72 119.26 121.28 3hac h ALA 609 Ca 0.19 0.05 -0.00 0.00 0.00 0.00 0.00 54.91 55.15 3hac h ALA 609 Cb 0.26 0.10 -0.02 0.00 0.00 0.00 0.00 17.79 18.13 3hac h ALA 609 CO -0.01 -0.47 0.30 0.00 0.00 0.00 0.00 179.25 179.07 3hac h ALA 610 N 1.14 0.65 -0.54 0.00 0.00 -1.04 0.26 119.26 119.73 3hac h ALA 610 Ca 0.07 -0.07 0.10 0.00 0.00 0.00 0.00 54.91 55.01 3hac h ALA 610 Cb 0.10 -0.20 -0.08 0.00 0.00 0.00 0.00 17.79 17.60 3hac h ALA 610 CO -0.15 0.14 0.05 -0.09 0.00 0.00 0.00 179.25 179.20 3hac h ARG 611 N 0.68 0.16 -0.15 0.00 2.43 -0.81 0.37 114.38 117.06 3hac h ARG 611 Ca 0.18 -0.01 -0.03 0.00 -0.81 0.00 0.00 59.98 59.31 3hac h ARG 611 Cb 0.00 -0.04 -0.01 0.00 -0.42 0.00 0.00 29.97 29.51 3hac h ARG 611 CO -0.03 0.11 -0.01 1.96 -1.51 0.00 0.00 179.97 180.48 3hac h GLN 612 N 0.17 0.28 -0.85 0.20 4.20 -0.23 -2.88 115.11 115.99 3hac h GLN 612 Ca 0.28 -0.09 0.12 0.00 0.06 0.00 0.00 58.65 59.01 3hac h GLN 612 Cb 0.42 -0.02 -0.08 0.00 0.30 0.00 0.00 27.48 28.09 3hac h GLN 612 CO -0.42 0.52 0.47 0.74 -0.67 0.00 0.00 178.83 179.47 3hac h PHE 613 N 0.00 0.84 0.00 2.96 0.04 -0.10 -1.74 116.94 118.94 3hac h PHE 613 Ca 0.04 0.03 0.00 0.00 2.80 0.00 0.00 57.97 60.84 3hac h PHE 613 Cb 0.41 -0.25 0.00 0.00 2.20 0.00 0.00 35.95 38.31 3hac h PHE 613 CO 0.04 0.28 0.00 -1.13 -0.60 0.00 0.00 178.31 176.90 3hac n SER 614 N -4.79 0.43 -0.29 2.17 3.41 0.13 -0.93 113.62 113.75 3hac n SER 614 Ca 0.15 0.66 0.11 0.00 -0.26 0.00 0.00 58.87 59.53 3hac n SER 614 Cb 0.35 -0.73 -0.05 0.00 -0.26 0.00 0.00 64.21 63.52 3hac n SER 614 CO 0.00 0.00 0.00 0.29 -0.16 0.00 0.00 175.04 175.17 3hac n LYS 615 N -2.03 0.71 -2.41 4.33 5.02 -0.66 -4.55 118.16 118.56 3hac n LYS 615 Ca 0.01 -0.59 -0.36 0.00 -2.02 0.00 0.00 58.31 55.35 3hac n LYS 615 Cb 0.11 -1.49 -0.02 0.00 -0.02 0.00 0.00 35.03 33.61 3hac n LYS 615 CO 0.00 0.00 0.00 -1.64 -0.52 0.00 0.00 177.40 175.24 3hac s MET 616 N -2.70 3.78 0.61 1.97 -1.94 -0.11 -4.92 119.30 115.99 3hac s MET 616 Ca 0.14 1.56 0.35 0.00 -1.71 0.00 0.00 55.69 56.03 3hac s MET 616 Cb 0.17 -2.26 1.96 0.00 2.01 0.00 0.00 34.83 36.71 3hac s MET 616 CO 0.70 -0.48 2.26 0.78 -0.01 0.00 0.00 175.02 178.26 3hac h GLY 617 N 1.83 0.00 -2.10 -0.03 0.00 -1.88 -2.82 103.07 98.07 3hac h GLY 617 Ca -0.49 0.00 0.00 0.00 0.00 0.00 0.00 47.33 46.84 3hac h GLY 617 CO 0.60 0.00 0.00 1.97 0.00 0.00 0.00 176.54 179.11 3hac n PHE 618 N -3.50 0.70 -4.57 5.60 1.16 -1.26 -4.61 117.46 110.98 3hac n PHE 618 Ca -0.03 -0.44 -0.33 0.00 -1.87 0.00 0.00 57.45 54.78 3hac n PHE 618 Cb 0.11 -0.01 -0.13 0.00 -1.61 0.00 0.00 39.48 37.85 3hac n PHE 618 CO 0.00 0.00 0.00 0.08 -1.87 0.00 0.00 176.76 174.97 3hac s VAL 619 N -1.07 3.54 -0.57 1.97 1.01 -1.07 -0.14 120.40 124.08 3hac s VAL 619 Ca 0.38 -0.49 -0.26 0.00 0.00 0.00 0.00 61.98 61.61 3hac s VAL 619 Cb 0.20 -2.52 0.04 0.00 0.00 0.00 0.00 36.38 34.10 3hac s VAL 619 CO 0.27 0.51 1.06 -0.62 0.00 0.00 0.00 175.10 176.32 3hac s ASP 620 N 0.25 6.38 0.00 3.32 -1.08 0.54 -4.73 116.67 121.35 3hac s ASP 620 Ca -0.05 -0.16 0.10 0.00 -0.52 0.00 0.00 52.55 51.92 3hac s ASP 620 Cb -0.15 -2.49 0.45 0.00 -1.46 0.00 0.00 42.92 39.28 3hac s ASP 620 CO 0.04 -1.35 1.32 -0.46 0.52 0.00 0.00 175.17 175.24 3hac n ASN 621 N 7.93 0.00 0.06 -0.34 0.23 -1.26 -1.32 115.26 120.56 3hac n ASN 621 Ca 0.05 0.47 0.13 0.00 -0.53 0.00 0.00 54.58 54.69 3hac n ASN 621 Cb 0.48 -0.48 0.36 0.00 -2.08 0.00 0.00 39.78 38.06 3hac n ASN 621 CO 0.00 0.00 0.00 0.29 -0.93 0.00 0.00 177.26 176.62 3hac n LYS 622 N -1.48 0.18 -3.26 -3.83 5.02 -1.26 -4.46 118.16 109.08 3hac n LYS 622 Ca 0.03 0.11 -0.25 0.00 -2.02 0.00 0.00 58.31 56.17 3hac n LYS 622 Cb 0.12 -1.67 -0.07 0.00 -0.02 0.00 0.00 35.03 33.39 3hac n LYS 622 CO 0.00 0.00 0.00 0.54 -0.52 0.00 0.00 177.40 177.42 3hac n ARG 623 N -1.97 1.32 -4.96 1.97 1.74 -0.43 -4.80 116.66 109.53 3hac n ARG 623 Ca 0.05 -3.70 -0.32 0.00 -0.77 0.00 0.00 57.85 53.11 3hac n ARG 623 Cb 0.40 -1.56 -0.16 0.00 -1.02 0.00 0.00 32.46 30.12 3hac n ARG 623 CO 0.00 0.00 0.00 0.42 -1.52 0.00 0.00 177.63 176.53 3hac s ILE 624 N -1.66 2.21 0.33 0.55 1.01 -1.26 -1.25 121.20 121.13 3hac s ILE 624 Ca 0.37 -0.95 0.07 0.00 0.00 0.00 0.00 60.65 60.14 3hac s ILE 624 Cb 0.17 -1.87 -0.06 0.00 0.01 0.00 0.00 42.46 40.70 3hac s ILE 624 CO -0.08 0.55 -0.04 0.00 0.00 0.00 0.00 174.94 175.37 3hac s ALA 625 N 0.52 2.66 0.00 9.38 0.00 0.34 -0.66 121.76 134.00 3hac s ALA 625 Ca -0.14 -2.05 0.00 0.00 0.00 0.00 0.00 51.96 49.78 3hac s ALA 625 Cb -0.17 0.19 -0.00 0.00 0.00 0.00 0.00 23.12 23.14 3hac s ALA 625 CO 0.05 -0.07 -0.02 -1.50 0.00 0.00 0.00 175.76 174.22 3hac s ILE 626 N -2.89 0.13 0.04 0.00 2.07 -0.84 -0.10 121.20 119.62 3hac s ILE 626 Ca 0.32 -0.21 -0.12 0.00 -1.41 0.00 0.00 60.65 59.24 3hac s ILE 626 Cb 0.05 -0.15 0.01 0.00 0.13 0.00 0.00 42.46 42.51 3hac s ILE 626 CO 0.15 -0.05 0.25 -1.66 -1.91 0.00 0.00 174.94 171.72 3hac s TRP 627 N -0.26 -0.03 -0.01 3.50 1.48 0.23 -1.48 118.94 122.37 3hac s TRP 627 Ca -0.02 -0.15 -0.29 0.00 -1.06 0.00 0.00 56.10 54.58 3hac s TRP 627 Cb -0.02 0.04 0.10 0.00 -1.16 0.00 0.00 33.47 32.43 3hac s TRP 627 CO -0.00 -0.48 0.93 0.20 -4.06 0.00 0.00 176.95 173.54 3hac s GLY 628 N -2.10 -0.43 0.01 3.67 0.00 -0.88 -0.66 107.32 106.92 3hac s GLY 628 Ca -0.05 1.01 0.08 0.00 0.00 0.00 0.00 44.72 45.76 3hac s GLY 628 CO -0.04 0.33 -0.25 0.86 0.00 0.00 0.00 173.10 174.00 3hac s TRP 629 N -3.06 2.19 0.00 1.90 -0.11 -1.26 -1.33 118.94 117.28 3hac s TRP 629 Ca 0.06 -0.41 0.00 0.00 1.22 0.00 0.00 56.10 56.97 3hac s TRP 629 Cb -0.01 -1.37 0.00 0.00 -1.50 0.00 0.00 33.47 30.60 3hac s TRP 629 CO -0.08 0.03 0.00 0.45 -4.62 0.00 0.00 176.95 172.74 3hac n SER 630 N 2.16 0.00 -0.34 5.86 2.88 0.42 -1.17 113.62 123.44 3hac n SER 630 Ca -0.16 0.00 0.09 0.00 -1.33 0.00 0.00 58.87 57.47 3hac n SER 630 Cb 0.52 0.00 0.29 0.00 -0.75 0.00 0.00 64.21 64.26 3hac n SER 630 CO 0.00 0.00 0.00 0.22 -1.23 0.00 0.00 175.04 174.03 3hac h TYR 631 N 0.00 1.06 -0.01 0.66 5.03 -1.88 -0.86 116.97 120.97 3hac h TYR 631 Ca 0.00 0.03 -0.04 0.00 2.58 0.00 0.00 58.73 61.30 3hac h TYR 631 Cb 0.00 -0.33 -0.01 0.00 1.55 0.00 0.00 36.73 37.94 3hac h TYR 631 CO 0.00 0.39 -0.17 0.78 -1.32 0.00 0.00 178.16 177.84 3hac h GLY 632 N 0.89 0.02 1.21 1.82 0.00 -1.08 -1.39 103.07 104.53 3hac h GLY 632 Ca 0.50 -0.01 -0.17 0.00 0.00 0.00 0.00 47.33 47.65 3hac h GLY 632 CO -0.27 0.01 -0.47 -1.33 0.00 0.00 0.00 176.54 174.49 3hac h GLY 633 N 0.52 0.93 0.80 4.60 0.00 -1.12 -0.28 103.07 108.51 3hac h GLY 633 Ca 0.00 -1.01 -0.00 0.00 0.00 0.00 0.00 47.33 46.32 3hac h GLY 633 CO 0.02 0.91 -0.21 -1.82 0.00 0.00 0.00 176.54 175.44 3hac h TYR 634 N 0.67 -0.54 -0.60 5.60 3.20 -0.92 -1.24 116.97 123.13 3hac h TYR 634 Ca 0.04 0.00 0.01 0.00 3.14 0.00 0.00 58.73 61.91 3hac h TYR 634 Cb 1.05 0.21 -0.03 0.00 1.54 0.00 0.00 36.73 39.50 3hac h TYR 634 CO 0.06 -0.31 0.40 0.28 -1.64 0.00 0.00 178.16 176.95 3hac h VAL 635 N -0.46 1.16 -0.72 1.81 2.07 -1.24 0.76 116.25 119.62 3hac h VAL 635 Ca -0.01 -0.29 0.08 0.00 0.82 0.00 0.00 66.70 67.30 3hac h VAL 635 Cb 0.42 0.27 -0.06 0.00 -1.52 0.00 0.00 31.29 30.40 3hac h VAL 635 CO -0.03 0.15 0.39 0.74 0.02 0.00 0.00 177.57 178.84 3hac h THR 636 N 0.82 0.91 -0.29 2.57 2.02 -0.98 0.16 112.91 118.12 3hac h THR 636 Ca 0.22 -0.23 -0.10 0.00 0.77 0.00 0.00 66.41 67.06 3hac h THR 636 Cb -0.09 0.17 -0.01 0.00 -1.74 0.00 0.00 68.15 66.49 3hac h THR 636 CO -0.05 0.12 -0.23 0.28 0.37 0.00 0.00 175.52 176.02 3hac h SER 637 N 0.68 0.69 -0.51 4.18 0.02 -0.37 -0.86 113.55 117.38 3hac h SER 637 Ca 0.34 -0.45 -0.06 0.00 -0.84 0.00 0.00 61.79 60.78 3hac h SER 637 Cb 0.29 -0.19 -0.03 0.00 0.14 0.00 0.00 62.40 62.61 3hac h SER 637 CO -0.23 1.00 0.12 0.24 -1.14 0.00 0.00 176.83 176.82 3hac h MET 638 N 0.40 0.87 -0.24 3.45 2.86 -0.56 -0.70 114.93 121.02 3hac h MET 638 Ca 0.05 -0.19 -0.02 0.00 -2.06 0.00 0.00 59.70 57.49 3hac h MET 638 Cb 0.78 -0.13 -0.01 0.00 0.06 0.00 0.00 31.60 32.30 3hac h MET 638 CO 0.06 0.79 0.09 0.28 1.06 0.00 0.00 176.91 179.19 3hac h VAL 639 N 0.84 1.18 0.00 -2.22 2.07 -0.56 -2.36 116.25 115.20 3hac h VAL 639 Ca 0.18 -0.54 -0.05 0.00 0.82 0.00 0.00 66.70 67.11 3hac h VAL 639 Cb 0.32 1.08 -0.01 0.00 -1.52 0.00 0.00 31.29 31.16 3hac h VAL 639 CO 0.00 0.18 -0.25 -0.07 0.02 0.00 0.00 177.57 177.45 3hac h LEU 640 N 0.24 0.00 -1.56 2.57 3.38 -0.89 -1.85 115.31 117.19 3hac h LEU 640 Ca 0.08 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.05 3hac h LEU 640 Cb 0.19 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.94 3hac h LEU 640 CO -0.01 0.25 0.00 0.61 0.09 0.00 0.00 178.44 179.38 3hac n GLY 641 N -0.20 0.94 0.18 0.83 0.00 -0.29 -4.37 105.19 102.28 3hac n GLY 641 Ca -0.01 -0.49 0.12 0.00 0.00 0.00 0.00 46.02 45.65 3hac n GLY 641 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 3hac h SER 642 N 2.65 0.00 -0.08 1.61 4.64 -0.78 -3.43 113.55 118.17 3hac h SER 642 Ca 0.00 -0.01 -0.03 0.00 -0.47 0.00 0.00 61.79 61.28 3hac h SER 642 Cb 0.60 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.68 3hac h SER 642 CO 0.00 0.00 -0.03 0.61 -0.87 0.00 0.00 176.83 176.54 3hac n GLY 643 N 1.16 0.53 0.21 -0.77 0.00 -1.26 -4.95 105.19 100.10 3hac n GLY 643 Ca 0.04 -0.41 0.05 0.00 0.00 0.00 0.00 46.02 45.70 3hac n GLY 643 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 3hac h SER 644 N 0.00 0.00 0.00 1.61 4.64 -1.91 -3.47 113.55 114.43 3hac h SER 644 Ca -0.03 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.29 3hac h SER 644 Cb 0.20 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.29 3hac h SER 644 CO 0.05 0.27 0.00 0.61 -0.87 0.00 0.00 176.83 176.89 3hac n GLY 645 N -0.66 0.87 0.14 -0.77 0.00 -1.26 -4.90 105.19 98.61 3hac n GLY 645 Ca -0.02 0.00 -0.07 0.00 0.00 0.00 0.00 46.02 45.93 3hac n GLY 645 CO 0.00 0.00 0.00 -2.08 0.00 0.00 0.00 173.32 171.24 3hac h VAL 646 N 0.00 1.45 -3.30 1.61 2.07 -1.96 -3.45 116.25 112.67 3hac h VAL 646 Ca 0.00 -2.36 -0.64 0.00 0.82 0.00 0.00 66.70 64.52 3hac h VAL 646 Cb 0.00 2.28 -0.18 0.00 -1.52 0.00 0.00 31.29 31.87 3hac h VAL 646 CO 0.00 0.69 -0.62 -0.36 0.02 0.00 0.00 177.57 177.30 3hac s PHE 647 N -3.43 3.13 0.08 1.57 0.08 -1.26 -4.57 117.98 113.58 3hac s PHE 647 Ca -0.03 -0.04 -0.11 0.00 0.12 0.00 0.00 56.93 56.87 3hac s PHE 647 Cb 0.11 -1.94 -0.22 0.00 -0.57 0.00 0.00 43.02 40.40 3hac s PHE 647 CO 0.82 0.18 1.19 -0.22 -0.10 0.00 0.00 175.22 177.09 3hac h LYS 648 N 6.22 0.58 -3.16 0.44 3.64 -1.20 -3.46 116.57 119.63 3hac h LYS 648 Ca -0.39 -0.68 -0.02 0.00 -1.27 0.00 0.00 60.65 58.29 3hac h LYS 648 Cb 1.18 0.21 -0.11 0.00 -0.41 0.00 0.00 32.23 33.10 3hac h LYS 648 CO 0.62 1.28 0.11 0.00 -2.27 0.00 0.00 179.45 179.20 3hac s GLY 650 N -2.81 -0.37 -0.09 0.00 0.00 -0.16 -1.99 107.32 101.89 3hac s GLY 650 Ca 0.05 0.15 0.01 0.00 0.00 0.00 0.00 44.72 44.92 3hac s GLY 650 CO -0.08 0.05 -0.10 -0.42 0.00 0.00 0.00 173.10 172.55 3hac s ILE 651 N -3.79 1.09 -0.21 0.90 1.01 -0.55 -1.51 121.20 118.14 3hac s ILE 651 Ca 0.06 -0.39 -0.04 0.00 0.00 0.00 0.00 60.65 60.28 3hac s ILE 651 Cb -0.03 -1.05 -0.02 0.00 0.01 0.00 0.00 42.46 41.37 3hac s ILE 651 CO -0.04 0.36 -0.02 0.00 0.00 0.00 0.00 174.94 175.25 3hac s ALA 652 N 1.19 2.94 -0.18 9.38 0.00 -0.43 -2.07 121.76 132.59 3hac s ALA 652 Ca -0.05 -1.05 -0.03 0.00 0.00 0.00 0.00 51.96 50.83 3hac s ALA 652 Cb -0.14 -1.73 -0.02 0.00 0.00 0.00 0.00 23.12 21.23 3hac s ALA 652 CO -0.03 -0.23 -0.06 0.08 0.00 0.00 0.00 175.76 175.52 3hac s VAL 653 N 1.15 3.50 -1.42 0.00 1.01 -0.44 -1.34 120.40 122.85 3hac s VAL 653 Ca 0.02 -0.48 -0.08 0.00 0.00 0.00 0.00 61.98 61.45 3hac s VAL 653 Cb -0.14 -2.55 0.01 0.00 0.00 0.00 0.00 36.38 33.70 3hac s VAL 653 CO 0.01 0.46 0.29 0.00 0.00 0.00 0.00 175.10 175.86 3hac n ALA 654 N 4.12 -2.16 -1.79 5.51 0.00 0.84 -0.43 120.51 126.59 3hac n ALA 654 Ca -0.18 -0.40 -0.36 0.00 0.00 0.00 0.00 53.44 52.51 3hac n ALA 654 Cb 0.52 -1.53 -0.06 0.00 0.00 0.00 0.00 19.45 18.38 3hac n ALA 654 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.50 176.25 3hac s PRO 655 N -7.08 4.29 0.40 0.00 0.04 -1.26 -3.35 135.00 128.03 3hac s PRO 655 Ca 0.12 1.34 -0.26 0.00 0.04 0.00 0.00 61.00 62.24 3hac s PRO 655 Cb -0.06 -2.50 -0.09 0.00 0.04 0.00 0.00 34.50 31.89 3hac s PRO 655 CO 0.96 0.00 1.31 0.08 0.04 0.00 0.00 177.00 179.39 3hac s VAL 656 N -1.80 2.59 0.00 -0.36 1.01 -1.25 -4.44 120.40 116.15 3hac s VAL 656 Ca 0.57 0.54 0.00 0.00 0.00 0.00 0.00 61.98 63.09 3hac s VAL 656 Cb -0.17 -3.32 0.00 0.00 0.00 0.00 0.00 36.38 32.89 3hac s VAL 656 CO 0.22 0.09 0.00 -1.54 0.00 0.00 0.00 175.10 173.87 3hac n SER 657 N 0.21 4.16 -3.65 3.32 3.41 -1.26 -4.10 113.62 115.71 3hac n SER 657 Ca 0.03 0.00 -0.05 0.00 -0.26 0.00 0.00 58.87 58.59 3hac n SER 657 Cb 0.43 0.79 -0.06 0.00 -0.26 0.00 0.00 64.21 65.11 3hac n SER 657 CO 0.00 0.00 0.00 -0.60 -0.16 0.00 0.00 175.04 174.28 3hac s ARG 658 N -1.68 0.61 0.46 4.33 3.52 -1.26 -0.84 118.95 124.09 3hac s ARG 658 Ca 0.00 1.27 0.19 0.00 -0.13 0.00 0.00 55.73 57.06 3hac s ARG 658 Cb 0.00 0.42 1.11 0.00 -1.56 0.00 0.00 34.95 34.92 3hac s ARG 658 CO 0.00 -0.18 1.99 -1.49 -0.81 0.00 0.00 175.30 174.81 3hac h TRP 659 N 7.46 0.00 0.00 5.12 4.06 -1.86 -0.81 115.95 129.92 3hac h TRP 659 Ca -0.25 0.00 0.00 0.00 2.06 0.00 0.00 58.89 60.70 3hac h TRP 659 Cb 1.17 0.00 0.00 0.00 -1.00 0.00 0.00 29.16 29.33 3hac h TRP 659 CO 0.12 0.19 0.00 0.39 -3.56 0.00 0.00 178.44 175.58 3hac n GLU 660 N -4.03 0.14 0.08 0.49 1.02 -1.26 -1.71 120.64 115.37 3hac n GLU 660 Ca -0.02 0.54 0.12 0.00 -0.02 0.00 0.00 57.16 57.78 3hac n GLU 660 Cb 0.27 -1.88 0.13 0.00 -0.02 0.00 0.00 31.44 29.94 3hac n GLU 660 CO 0.00 0.00 0.00 1.88 1.18 0.00 0.00 177.13 180.19 3hac h TYR 661 N 0.00 0.00 -2.72 -0.32 0.05 -1.52 -3.32 116.97 109.14 3hac h TYR 661 Ca 0.00 0.00 -0.44 0.00 0.05 0.00 0.00 58.73 58.34 3hac h TYR 661 Cb 0.13 0.00 0.05 0.00 1.01 0.00 0.00 36.73 37.92 3hac h TYR 661 CO 0.00 0.00 0.01 -0.47 -1.05 0.00 0.00 178.16 176.65 3hac s TYR 662 N -3.22 2.88 0.63 4.88 5.04 -0.70 -4.80 117.35 122.06 3hac s TYR 662 Ca 0.04 0.07 -0.15 0.00 -2.44 0.00 0.00 57.07 54.59 3hac s TYR 662 Cb 0.12 -2.81 -0.02 0.00 0.35 0.00 0.00 41.96 39.60 3hac s TYR 662 CO 0.74 -0.94 1.08 0.16 -1.34 0.00 0.00 175.55 175.25 3hac s ASP 663 N -4.43 5.46 0.06 4.32 1.47 -1.26 -0.94 116.67 121.34 3hac s ASP 663 Ca 0.57 1.89 -0.26 0.00 1.18 0.00 0.00 52.55 55.94 3hac s ASP 663 Cb -0.10 -2.54 -0.17 0.00 -0.34 0.00 0.00 42.92 39.77 3hac s ASP 663 CO 0.39 -1.39 1.58 0.77 0.68 0.00 0.00 175.17 177.20 3hac h SER 664 N 0.21 -0.20 -0.19 2.11 4.64 -1.02 -2.12 113.55 116.98 3hac h SER 664 Ca -0.47 -0.09 0.01 0.00 -0.47 0.00 0.00 61.79 60.77 3hac h SER 664 Cb 1.23 0.05 -0.01 0.00 -0.31 0.00 0.00 62.40 63.36 3hac h SER 664 CO 0.56 -0.03 0.10 0.58 -0.87 0.00 0.00 176.83 177.17 3hac h VAL 665 N -0.35 1.01 0.27 0.95 2.07 -1.94 0.87 116.25 119.13 3hac h VAL 665 Ca -0.02 -0.08 -0.01 0.00 0.82 0.00 0.00 66.70 67.41 3hac h VAL 665 Cb 0.28 0.77 0.00 0.00 -1.52 0.00 0.00 31.29 30.82 3hac h VAL 665 CO 0.04 0.04 -0.13 0.22 0.02 0.00 0.00 177.57 177.76 3hac h TYR 666 N 0.22 -0.34 -0.04 1.57 5.03 -1.92 -3.11 116.97 118.37 3hac h TYR 666 Ca 0.08 -0.01 -0.00 0.00 2.58 0.00 0.00 58.73 61.38 3hac h TYR 666 Cb 0.00 0.11 -0.00 0.00 1.55 0.00 0.00 36.73 38.39 3hac h TYR 666 CO -0.08 0.00 0.02 1.15 -1.32 0.00 0.00 178.16 177.93 3hac h THR 667 N -0.74 1.12 0.00 1.81 2.02 -1.16 -2.72 112.91 113.24 3hac h THR 667 Ca -0.04 -0.35 -0.04 0.00 0.77 0.00 0.00 66.41 66.75 3hac h THR 667 Cb 0.49 1.28 -0.01 0.00 -1.74 0.00 0.00 68.15 68.18 3hac h THR 667 CO 0.06 0.10 -0.18 -0.33 0.37 0.00 0.00 175.52 175.53 3hac h GLU 668 N -0.07 0.00 -0.89 6.66 5.08 -0.99 1.00 114.58 125.37 3hac h GLU 668 Ca 0.01 0.00 0.09 0.00 -1.00 0.00 0.00 59.36 58.47 3hac h GLU 668 Cb 0.14 0.00 -0.07 0.00 0.50 0.00 0.00 28.75 29.32 3hac h GLU 668 CO -0.00 0.18 0.53 -0.09 -1.00 0.00 0.00 179.01 178.64 3hac h ARG 669 N 0.00 0.87 0.00 2.33 2.43 -1.41 -0.78 114.38 117.82 3hac h ARG 669 Ca -0.00 -0.05 -0.23 0.00 -0.81 0.00 0.00 59.98 58.88 3hac h ARG 669 Cb 0.50 -0.20 -0.04 0.00 -0.42 0.00 0.00 29.97 29.81 3hac h ARG 669 CO 0.02 0.57 -2.11 0.66 -1.51 0.00 0.00 179.97 177.61 3hac n TYR 670 N -4.68 0.19 0.39 2.20 4.01 -0.90 -4.58 117.16 113.78 3hac n TYR 670 Ca 0.15 0.06 0.04 0.00 -0.16 0.00 0.00 57.90 57.99 3hac n TYR 670 Cb 0.28 -0.88 -0.02 0.00 -0.31 0.00 0.00 39.34 38.41 3hac n TYR 670 CO 0.00 0.00 0.00 -1.33 -0.46 0.00 0.00 176.86 175.07 3hac n MET 671 N -2.64 3.17 0.00 -0.72 2.81 0.30 0.79 117.12 120.82 3hac n MET 671 Ca -0.21 -0.30 0.00 0.00 -1.81 0.00 0.00 57.70 55.39 3hac n MET 671 Cb 0.94 -0.97 0.00 0.00 -0.71 0.00 0.00 33.22 32.48 3hac n MET 671 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 3hac n GLY 672 N 1.00 0.61 3.89 3.03 0.00 -0.31 -4.66 105.19 108.76 3hac n GLY 672 Ca 0.03 -0.85 -0.35 0.00 0.00 0.00 0.00 46.02 44.85 3hac n GLY 672 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3hac s LEU 673 N 0.00 4.38 -1.54 0.99 1.43 -1.26 -4.28 118.68 118.40 3hac s LEU 673 Ca 0.00 0.47 -0.10 0.00 -1.03 0.00 0.00 54.13 53.47 3hac s LEU 673 Cb 0.00 -2.52 -0.03 0.00 0.03 0.00 0.00 46.19 43.67 3hac s LEU 673 CO 0.00 0.29 2.75 -0.81 0.23 0.00 0.00 176.35 178.81 3hac n PRO 674 N 1.25 3.77 -4.35 1.29 -0.04 -1.26 -1.41 135.00 134.25 3hac n PRO 674 Ca -0.13 -2.52 -0.24 0.00 -0.04 0.00 0.00 63.50 60.57 3hac n PRO 674 Cb 0.53 -2.83 -0.12 0.00 -0.04 0.00 0.00 33.50 31.05 3hac n PRO 674 CO 0.00 0.00 0.00 0.95 -0.04 0.00 0.00 175.50 176.41 3hac s THR 675 N 1.62 1.98 0.37 0.52 -4.23 -1.26 -4.63 115.64 110.01 3hac s THR 675 Ca 0.64 -1.84 0.12 0.00 -1.18 0.00 0.00 61.69 59.42 3hac s THR 675 Cb 0.17 -1.86 0.34 0.00 1.34 0.00 0.00 72.50 72.49 3hac s THR 675 CO -0.07 -0.15 1.85 -0.65 -0.54 0.00 0.00 174.62 175.06 3hac h PRO 676 N 3.51 0.58 0.00 3.99 0.11 -1.96 -0.91 132.00 137.33 3hac h PRO 676 Ca -0.45 -0.04 0.00 0.00 0.11 0.00 0.00 66.00 65.62 3hac h PRO 676 Cb 1.20 -0.13 0.00 0.00 0.11 0.00 0.00 31.00 32.17 3hac h PRO 676 CO 0.46 0.39 0.00 0.93 -0.21 0.00 0.00 178.00 179.57 3hac h GLU 677 N 0.60 0.00 0.00 1.05 3.07 -1.96 -3.43 114.58 113.91 3hac h GLU 677 Ca 0.47 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 59.33 3hac h GLU 677 Cb 0.90 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.81 3hac h GLU 677 CO -0.22 0.00 0.00 -3.47 -1.40 0.00 0.00 179.01 173.92 3hac n ASP 678 N -2.74 0.00 -0.30 1.42 -0.08 -0.52 -5.03 116.55 109.31 3hac n ASP 678 Ca 0.03 0.00 0.05 0.00 -1.51 0.00 0.00 54.79 53.36 3hac n ASP 678 Cb 0.37 0.00 0.08 0.00 2.34 0.00 0.00 41.12 43.91 3hac n ASP 678 CO 0.00 0.00 0.00 -3.20 0.12 0.00 0.00 177.20 174.12 3hac n ASN 679 N 0.00 1.24 -0.27 1.67 5.15 -0.50 -4.87 115.26 117.68 3hac n ASN 679 Ca 0.00 -2.59 0.06 0.00 -0.60 0.00 0.00 54.58 51.45 3hac n ASN 679 Cb 0.00 -0.32 0.20 0.00 -0.53 0.00 0.00 39.78 39.13 3hac n ASN 679 CO 0.00 0.00 0.00 0.25 1.40 0.00 0.00 177.26 178.91 3hac h LEU 680 N 0.03 0.38 -0.88 1.20 5.85 -1.29 -2.09 115.31 118.51 3hac h LEU 680 Ca -0.00 0.10 0.06 0.00 0.84 0.00 0.00 57.88 58.88 3hac h LEU 680 Cb 1.20 0.05 -0.06 0.00 0.37 0.00 0.00 40.66 42.22 3hac h LEU 680 CO 0.00 0.15 0.55 0.44 -0.34 0.00 0.00 178.44 179.24 3hac h ASP 681 N 0.51 0.86 0.39 1.25 3.32 -1.89 -0.64 116.42 120.22 3hac h ASP 681 Ca 0.43 0.02 -0.18 0.00 0.02 0.00 0.00 57.03 57.32 3hac h ASP 681 Cb 0.64 -0.16 -0.01 0.00 0.22 0.00 0.00 39.33 40.02 3hac h ASP 681 CO -0.39 0.55 -0.75 -0.74 -1.72 0.00 0.00 179.24 176.20 3hac h HIS 682 N 1.00 0.41 -0.80 4.55 2.76 -1.76 -2.15 115.15 119.15 3hac h HIS 682 Ca 0.39 -0.19 0.12 0.00 -2.20 0.00 0.00 60.37 58.49 3hac h HIS 682 Cb 0.18 -0.06 -0.08 0.00 1.55 0.00 0.00 27.41 29.00 3hac h HIS 682 CO -0.03 0.94 0.42 1.88 -1.30 0.00 0.00 177.93 179.84 3hac h TYR 683 N 0.20 0.75 0.00 5.26 0.05 -0.73 -2.71 116.97 119.79 3hac h TYR 683 Ca -0.03 0.03 -0.15 0.00 0.05 0.00 0.00 58.73 58.64 3hac h TYR 683 Cb 1.32 -0.22 -0.02 0.00 1.01 0.00 0.00 36.73 38.82 3hac h TYR 683 CO 0.03 0.24 -0.70 0.00 -1.05 0.00 0.00 178.16 176.69 3hac h ARG 684 N 0.67 0.00 -0.67 4.88 2.47 -0.94 -3.27 114.38 117.51 3hac h ARG 684 Ca 0.41 0.00 0.00 0.00 -1.26 0.00 0.00 59.98 59.13 3hac h ARG 684 Cb 0.49 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 28.81 3hac h ARG 684 CO -0.30 0.70 0.00 0.27 0.56 0.00 0.00 179.97 181.19 3hac n ASN 685 N -3.45 3.81 -1.70 7.04 0.23 -0.83 -4.24 115.26 116.12 3hac n ASN 685 Ca 0.00 -2.01 -0.12 0.00 -0.53 0.00 0.00 54.58 51.92 3hac n ASN 685 Cb 0.75 -0.45 0.21 0.00 -2.08 0.00 0.00 39.78 38.21 3hac n ASN 685 CO 0.00 0.00 0.00 -1.54 -0.93 0.00 0.00 177.26 174.79 3hac n SER 686 N 1.47 3.37 -4.91 0.53 3.41 -1.03 -5.00 113.62 111.46 3hac n SER 686 Ca 0.23 -3.60 -0.29 0.00 -0.26 0.00 0.00 58.87 54.94 3hac n SER 686 Cb 0.60 -0.73 -0.04 0.00 -0.26 0.00 0.00 64.21 63.78 3hac n SER 686 CO 0.00 0.00 0.00 0.42 -0.16 0.00 0.00 175.04 175.30 3hac s THR 687 N -3.22 5.13 0.14 6.66 -4.23 -1.26 -4.77 115.64 114.09 3hac s THR 687 Ca 0.51 -0.08 -0.14 0.00 -1.18 0.00 0.00 61.69 60.81 3hac s THR 687 Cb 0.44 -3.69 -0.00 0.00 1.34 0.00 0.00 72.50 70.59 3hac s THR 687 CO 0.07 -0.13 1.58 0.58 -0.54 0.00 0.00 174.62 176.18 3hac h VAL 688 N 1.70 1.26 -1.00 2.29 2.07 -1.33 -3.29 116.25 117.94 3hac h VAL 688 Ca -0.47 -1.04 0.22 0.00 0.82 0.00 0.00 66.70 66.23 3hac h VAL 688 Cb 1.18 1.06 -0.10 0.00 -1.52 0.00 0.00 31.29 31.91 3hac h VAL 688 CO 0.69 0.36 0.62 0.24 0.02 0.00 0.00 177.57 179.50 3hac h MET 689 N 0.62 0.57 0.00 1.57 2.86 -1.91 -0.84 114.93 117.80 3hac h MET 689 Ca 0.12 -0.03 0.00 0.00 -2.06 0.00 0.00 59.70 57.73 3hac h MET 689 Cb 0.49 -0.13 0.00 0.00 0.06 0.00 0.00 31.60 32.03 3hac h MET 689 CO 0.02 0.37 0.00 0.66 1.06 0.00 0.00 176.91 179.03 3hac h SER 690 N 0.58 0.00 -0.46 1.22 4.64 -1.94 -2.43 113.55 115.16 3hac h SER 690 Ca 0.58 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.90 3hac h SER 690 Cb 1.17 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.26 3hac h SER 690 CO -0.35 0.00 0.00 0.54 -0.87 0.00 0.00 176.83 176.15 3hac n ARG 691 N -2.91 2.28 -0.24 4.77 1.74 -0.32 -4.67 116.66 117.31 3hac n ARG 691 Ca 0.00 -1.97 0.05 0.00 -0.77 0.00 0.00 57.85 55.16 3hac n ARG 691 Cb 0.24 -1.46 0.16 0.00 -1.02 0.00 0.00 32.46 30.39 3hac n ARG 691 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 3hac h ALA 692 N 4.17 0.89 -0.91 7.54 0.00 -1.50 -1.03 119.26 128.42 3hac h ALA 692 Ca 0.00 0.17 0.16 0.00 0.00 0.00 0.00 54.91 55.24 3hac h ALA 692 Cb 0.78 0.24 -0.07 0.00 0.00 0.00 0.00 17.79 18.73 3hac h ALA 692 CO 0.00 -0.34 0.59 1.49 0.00 0.00 0.00 179.25 180.98 3hac h GLU 693 N 0.25 0.65 0.00 0.00 4.57 -1.86 -1.37 114.58 116.83 3hac h GLU 693 Ca 0.40 -0.04 0.00 0.00 -1.18 0.00 0.00 59.36 58.54 3hac h GLU 693 Cb 0.67 -0.15 0.00 0.00 -0.16 0.00 0.00 28.75 29.11 3hac h GLU 693 CO -0.51 0.43 0.00 0.09 -1.18 0.00 0.00 179.01 177.85 3hac n ASN 694 N -4.58 0.00 0.00 1.04 5.03 -0.39 -2.62 115.26 113.74 3hac n ASN 694 Ca 0.18 0.46 0.12 0.00 0.87 0.00 0.00 54.58 56.21 3hac n ASN 694 Cb 0.51 -0.48 0.57 0.00 -1.02 0.00 0.00 39.78 39.36 3hac n ASN 694 CO 0.00 0.00 0.00 0.49 -1.83 0.00 0.00 177.26 175.92 3hac n PHE 695 N -1.48 0.00 0.24 3.10 3.72 -0.51 -3.87 117.46 118.65 3hac n PHE 695 Ca 0.04 0.00 0.14 0.00 -0.05 0.00 0.00 57.45 57.58 3hac n PHE 695 Cb 0.17 -0.43 0.80 0.00 -0.94 0.00 0.00 39.48 39.09 3hac n PHE 695 CO 0.00 0.00 0.00 -0.22 -0.05 0.00 0.00 176.76 176.49 3hac h LYS 696 N 0.00 0.00 -0.50 -1.08 3.64 -1.69 -2.18 116.57 114.75 3hac h LYS 696 Ca 0.00 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.38 3hac h LYS 696 Cb 0.37 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.19 3hac h LYS 696 CO 0.00 0.00 0.00 1.04 -2.27 0.00 0.00 179.45 178.22 3hac n GLN 697 N -4.04 3.61 -4.23 1.90 6.02 -1.25 -4.96 117.38 114.43 3hac n GLN 697 Ca -0.01 -2.80 -0.17 0.00 -0.01 0.00 0.00 57.00 54.01 3hac n GLN 697 Cb 0.20 -1.85 -0.11 0.00 1.02 0.00 0.00 30.24 29.50 3hac n GLN 697 CO 0.00 0.00 0.00 0.14 -1.01 0.00 0.00 177.06 176.19 3hac s VAL 698 N -2.10 1.23 -0.21 5.09 -7.23 -0.82 -4.93 120.40 111.42 3hac s VAL 698 Ca 0.46 -1.75 -0.15 0.00 -1.81 0.00 0.00 61.98 58.73 3hac s VAL 698 Cb 0.32 -1.53 -0.04 0.00 0.56 0.00 0.00 36.38 35.68 3hac s VAL 698 CO 0.18 -0.49 0.37 -1.61 -0.31 0.00 0.00 175.10 173.24 3hac s GLU 699 N -2.84 4.14 -0.04 4.82 2.02 -0.75 -5.00 118.70 121.06 3hac s GLU 699 Ca 0.09 0.14 0.04 0.00 0.02 0.00 0.00 54.97 55.26 3hac s GLU 699 Cb -0.03 -3.55 -0.00 0.00 0.10 0.00 0.00 34.13 30.64 3hac s GLU 699 CO 0.02 -0.06 -0.17 -0.47 0.02 0.00 0.00 175.26 174.60 3hac s TYR 700 N 1.39 1.71 -0.19 1.61 5.04 -1.26 -0.99 117.35 124.65 3hac s TYR 700 Ca 0.17 -0.49 0.01 0.00 -2.44 0.00 0.00 57.07 54.32 3hac s TYR 700 Cb -0.15 -1.15 0.02 0.00 0.35 0.00 0.00 41.96 41.04 3hac s TYR 700 CO 0.08 -0.17 -0.18 -1.17 -1.34 0.00 0.00 175.55 172.77 3hac s LEU 701 N 0.05 2.36 -0.17 6.97 2.96 -0.57 -0.60 118.68 129.68 3hac s LEU 701 Ca -0.04 -0.74 -0.02 0.00 -0.22 0.00 0.00 54.13 53.11 3hac s LEU 701 Cb -0.12 -1.51 -0.01 0.00 0.50 0.00 0.00 46.19 45.06 3hac s LEU 701 CO 0.02 -0.03 -0.08 -0.22 -1.32 0.00 0.00 176.35 174.73 3hac s LEU 702 N 1.28 2.90 -0.02 -0.68 2.96 -0.06 -1.31 118.68 123.74 3hac s LEU 702 Ca 0.03 -0.31 0.02 0.00 -0.22 0.00 0.00 54.13 53.65 3hac s LEU 702 Cb -0.14 -1.70 0.00 0.00 0.50 0.00 0.00 46.19 44.85 3hac s LEU 702 CO -0.11 0.09 -0.09 -0.63 -1.32 0.00 0.00 176.35 174.29 3hac s ILE 703 N 0.81 0.76 -0.25 6.68 1.01 -0.45 -1.30 121.20 128.45 3hac s ILE 703 Ca -0.03 -0.36 -0.22 0.00 0.00 0.00 0.00 60.65 60.04 3hac s ILE 703 Cb -0.15 -0.67 0.07 0.00 0.01 0.00 0.00 42.46 41.72 3hac s ILE 703 CO 0.01 0.23 0.67 -2.28 0.00 0.00 0.00 174.94 173.57 3hac s HIS 704 N 0.13 -0.76 0.12 3.97 2.46 -0.97 -0.12 115.29 120.13 3hac s HIS 704 Ca -0.02 1.81 -0.28 0.00 0.47 0.00 0.00 55.06 57.04 3hac s HIS 704 Cb -0.08 0.28 -0.06 0.00 -0.13 0.00 0.00 32.58 32.59 3hac s HIS 704 CO 0.00 -0.37 0.88 0.20 -2.47 0.00 0.00 174.74 172.99 3hac s GLY 705 N 0.47 2.95 0.49 1.59 0.00 -1.26 -1.67 107.32 109.89 3hac s GLY 705 Ca -0.01 0.48 0.27 0.00 0.00 0.00 0.00 44.72 45.46 3hac s GLY 705 CO -0.01 1.25 1.97 -0.91 0.00 0.00 0.00 173.10 175.40 3hac h THR 706 N 3.85 0.49 -0.72 0.90 1.35 -1.22 -2.95 112.91 114.62 3hac h THR 706 Ca -0.44 -0.78 -0.36 0.00 -0.55 0.00 0.00 66.41 64.28 3hac h THR 706 Cb 1.21 1.53 -0.22 0.00 -1.73 0.00 0.00 68.15 68.95 3hac h THR 706 CO 0.70 0.15 0.33 0.00 -0.25 0.00 0.00 175.52 176.46 3hac n ALA 707 N -2.23 5.02 -2.08 6.62 0.00 -0.52 -4.74 120.51 122.58 3hac n ALA 707 Ca -0.01 -2.97 -0.40 0.00 0.00 0.00 0.00 53.44 50.06 3hac n ALA 707 Cb 0.32 -1.14 -0.03 0.00 0.00 0.00 0.00 19.45 18.60 3hac n ALA 707 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 3hac s ASP 708 N -1.80 5.54 0.15 0.00 -1.08 -1.11 -4.26 116.67 114.09 3hac s ASP 708 Ca 0.52 0.57 0.25 0.00 -0.52 0.00 0.00 52.55 53.37 3hac s ASP 708 Cb 0.45 -2.53 0.93 0.00 -1.46 0.00 0.00 42.92 40.30 3hac s ASP 708 CO 0.06 -2.12 1.76 -0.90 0.52 0.00 0.00 175.17 174.49 3hac n ASP 709 N 11.73 0.49 0.00 -0.34 5.75 -1.26 -4.01 116.55 128.90 3hac n ASP 709 Ca 0.20 0.57 0.00 0.00 -0.01 0.00 0.00 54.79 55.55 3hac n ASP 709 Cb 0.50 -0.69 0.00 0.00 -1.03 0.00 0.00 41.12 39.90 3hac n ASP 709 CO 0.00 0.00 0.00 -3.20 -0.11 0.00 0.00 177.20 173.89 3hac n ASN 710 N -1.98 0.00 -4.40 -1.12 2.85 -1.26 -4.77 115.26 104.57 3hac n ASN 710 Ca 0.05 0.01 -0.44 0.00 -0.11 0.00 0.00 54.58 54.08 3hac n ASN 710 Cb 0.33 -0.39 -0.06 0.00 1.24 0.00 0.00 39.78 40.90 3hac n ASN 710 CO 0.00 0.00 0.00 -0.69 -2.11 0.00 0.00 177.26 174.46 3hac s VAL 711 N -0.77 4.98 0.54 3.44 1.01 -1.26 -4.82 120.40 123.52 3hac s VAL 711 Ca 0.00 -0.86 -0.21 0.00 0.00 0.00 0.00 61.98 60.91 3hac s VAL 711 Cb 0.00 -4.31 -0.05 0.00 0.00 0.00 0.00 36.38 32.02 3hac s VAL 711 CO 0.00 -0.84 1.27 -1.00 0.00 0.00 0.00 175.10 174.53 3hac s HIS 712 N 2.31 2.44 0.36 5.22 3.76 -1.26 -4.73 115.29 123.40 3hac s HIS 712 Ca 0.10 1.45 0.12 0.00 -0.15 0.00 0.00 55.06 56.59 3hac s HIS 712 Cb -0.23 -3.62 0.92 0.00 1.11 0.00 0.00 32.58 30.76 3hac s HIS 712 CO 0.08 -2.41 1.81 0.35 -0.85 0.00 0.00 174.74 173.73 3hac h PHE 713 N 1.43 0.80 -0.44 1.40 3.57 -1.79 0.31 116.94 122.21 3hac h PHE 713 Ca -0.50 0.03 0.09 0.00 3.53 0.00 0.00 57.97 61.11 3hac h PHE 713 Cb 1.29 -0.24 -0.08 0.00 2.79 0.00 0.00 35.95 39.70 3hac h PHE 713 CO 0.48 0.19 -0.11 0.94 -2.23 0.00 0.00 178.31 177.58 3hac n GLN 714 N -4.63 -0.04 -0.14 1.11 7.27 -1.26 -1.10 117.38 118.59 3hac n GLN 714 Ca 0.21 0.69 -0.05 0.00 0.07 0.00 0.00 57.00 57.92 3hac n GLN 714 Cb 0.65 -1.02 0.03 0.00 2.41 0.00 0.00 30.24 32.31 3hac n GLN 714 CO 0.00 0.00 0.00 1.96 0.07 0.00 0.00 177.06 179.09 3hac h GLN 715 N 0.00 0.42 -0.00 3.69 4.20 -1.24 0.16 115.11 122.34 3hac h GLN 715 Ca 0.21 -0.03 -0.16 0.00 0.06 0.00 0.00 58.65 58.74 3hac h GLN 715 Cb 0.32 -0.09 -0.02 0.00 0.30 0.00 0.00 27.48 27.99 3hac h GLN 715 CO -0.45 0.28 -0.74 0.77 -0.67 0.00 0.00 178.83 178.01 3hac h SER 716 N 0.43 0.04 -0.55 1.46 0.02 -1.32 -2.89 113.55 110.75 3hac h SER 716 Ca 0.19 -0.03 -0.03 0.00 -0.84 0.00 0.00 61.79 61.09 3hac h SER 716 Cb 0.11 -0.01 -0.03 0.00 0.14 0.00 0.00 62.40 62.61 3hac h SER 716 CO -0.14 0.77 0.25 0.00 -1.14 0.00 0.00 176.83 176.57 3hac h ALA 717 N 1.23 1.34 -0.03 3.77 0.00 -0.45 -0.42 119.26 124.71 3hac h ALA 717 Ca -0.01 -0.14 -0.17 0.00 0.00 0.00 0.00 54.91 54.59 3hac h ALA 717 Cb 1.31 -0.24 -0.01 0.00 0.00 0.00 0.00 17.79 18.85 3hac h ALA 717 CO 0.10 0.50 -0.75 1.96 0.00 0.00 0.00 179.25 181.06 3hac h GLN 718 N 0.83 0.19 0.09 0.00 1.08 -0.92 -2.73 115.11 113.66 3hac h GLN 718 Ca 0.20 -0.17 -0.00 0.00 -1.45 0.00 0.00 58.65 57.23 3hac h GLN 718 Cb 0.13 0.04 0.00 0.00 -0.05 0.00 0.00 27.48 27.60 3hac h GLN 718 CO -0.02 0.85 -0.04 0.82 -0.95 0.00 0.00 178.83 179.49 3hac h ILE 719 N 0.12 0.99 -0.93 2.54 2.04 -1.20 -2.29 117.51 118.77 3hac h ILE 719 Ca -0.02 -0.29 -0.00 0.00 1.00 0.00 0.00 64.86 65.55 3hac h ILE 719 Cb 1.32 1.18 -0.05 0.00 -0.74 0.00 0.00 36.82 38.54 3hac h ILE 719 CO 0.11 0.07 0.58 0.77 0.00 0.00 0.00 178.15 179.69 3hac h SER 720 N -0.25 1.11 -0.55 1.72 4.64 -1.11 -2.02 113.55 117.08 3hac h SER 720 Ca -0.01 -0.06 -0.05 0.00 -0.47 0.00 0.00 61.79 61.20 3hac h SER 720 Cb 0.21 -0.28 -0.02 0.00 -0.31 0.00 0.00 62.40 62.00 3hac h SER 720 CO 0.02 0.83 0.13 0.50 -0.87 0.00 0.00 176.83 177.45 3hac h LYS 721 N 1.28 0.88 -0.68 4.77 3.64 -1.46 -0.49 116.57 124.51 3hac h LYS 721 Ca 0.34 -0.21 0.02 0.00 -1.27 0.00 0.00 60.65 59.53 3hac h LYS 721 Cb -0.09 -0.12 -0.04 0.00 -0.41 0.00 0.00 32.23 31.58 3hac h LYS 721 CO -0.07 0.83 0.43 0.00 -2.27 0.00 0.00 179.45 178.37 3hac h ALA 722 N 1.02 0.87 -0.42 5.00 0.00 -0.99 0.27 119.26 125.01 3hac h ALA 722 Ca 0.17 -0.03 -0.13 0.00 0.00 0.00 0.00 54.91 54.92 3hac h ALA 722 Cb 0.34 -0.24 -0.01 0.00 0.00 0.00 0.00 17.79 17.88 3hac h ALA 722 CO 0.00 0.23 -0.25 -0.07 0.00 0.00 0.00 179.25 179.16 3hac h LEU 723 N 0.87 0.95 -0.55 0.00 3.38 -1.16 -2.61 115.31 116.18 3hac h LEU 723 Ca 0.26 -0.42 0.03 0.00 0.09 0.00 0.00 57.88 57.84 3hac h LEU 723 Cb -0.04 -0.26 -0.04 0.00 0.09 0.00 0.00 40.66 40.41 3hac h LEU 723 CO -0.08 1.16 0.33 0.58 0.09 0.00 0.00 178.44 180.52 3hac h VAL 724 N 0.74 1.06 0.00 1.22 2.07 -0.94 -0.70 116.25 119.70 3hac h VAL 724 Ca 0.09 -0.23 -0.02 0.00 0.82 0.00 0.00 66.70 67.36 3hac h VAL 724 Cb 0.83 0.34 -0.00 0.00 -1.52 0.00 0.00 31.29 30.94 3hac h VAL 724 CO 0.07 0.12 -0.10 0.44 0.02 0.00 0.00 177.57 178.13 3hac h ASP 725 N 0.66 0.00 -0.35 0.57 3.32 -0.70 -1.44 116.42 118.48 3hac h ASP 725 Ca 0.22 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.27 3hac h ASP 725 Cb 0.03 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.58 3hac h ASP 725 CO -0.10 0.10 0.00 1.33 -1.72 0.00 0.00 179.24 178.84 3hac n VAL 726 N -4.14 0.47 -3.09 -1.35 0.24 -1.00 -4.99 118.33 104.47 3hac n VAL 726 Ca -0.03 -0.74 -0.13 0.00 -2.04 0.00 0.00 64.34 61.41 3hac n VAL 726 Cb 0.18 1.01 0.04 0.00 -1.47 0.00 0.00 33.84 33.60 3hac n VAL 726 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 3hac n GLY 727 N 1.40 0.12 3.64 7.63 0.00 -0.54 -4.99 105.19 112.45 3hac n GLY 727 Ca 0.18 -0.16 -0.36 0.00 0.00 0.00 0.00 46.02 45.68 3hac n GLY 727 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3hac s VAL 728 N -3.18 5.06 0.35 1.61 1.01 -0.34 -5.04 120.40 119.88 3hac s VAL 728 Ca 0.31 0.07 -0.23 0.00 0.00 0.00 0.00 61.98 62.13 3hac s VAL 728 Cb -0.14 -3.33 -0.10 0.00 0.00 0.00 0.00 36.38 32.82 3hac s VAL 728 CO 0.40 0.40 0.91 -0.62 0.00 0.00 0.00 175.10 176.19 3hac s ASP 729 N 0.76 7.13 0.33 3.32 2.15 -1.26 -4.46 116.67 124.63 3hac s ASP 729 Ca 0.06 1.70 -0.16 0.00 0.43 0.00 0.00 52.55 54.58 3hac s ASP 729 Cb -0.13 -2.53 0.03 0.00 -0.30 0.00 0.00 42.92 39.99 3hac s ASP 729 CO 0.02 -0.17 0.71 0.72 -0.17 0.00 0.00 175.17 176.28 3hac s PHE 730 N -1.84 0.11 -0.02 -5.34 -0.12 -1.26 -4.75 117.98 104.75 3hac s PHE 730 Ca 0.54 -0.65 0.02 0.00 -0.05 0.00 0.00 56.93 56.79 3hac s PHE 730 Cb -0.14 0.67 -0.03 0.00 -0.63 0.00 0.00 43.02 42.88 3hac s PHE 730 CO 0.19 -1.38 -0.04 -0.65 -0.05 0.00 0.00 175.22 173.30 3hac s GLN 731 N -3.07 2.71 0.06 1.99 -1.52 0.23 -5.02 119.66 115.03 3hac s GLN 731 Ca 0.16 -0.62 0.02 0.00 -1.95 0.00 0.00 55.36 52.97 3hac s GLN 731 Cb -0.05 -2.60 -0.03 0.00 -0.22 0.00 0.00 33.01 30.11 3hac s GLN 731 CO 0.10 0.63 -0.07 0.00 -0.25 0.00 0.00 175.29 175.70 3hac s ALA 732 N -0.97 0.66 -0.14 6.09 0.00 -1.26 -0.88 121.76 125.26 3hac s ALA 732 Ca 0.16 -0.92 -0.06 0.00 0.00 0.00 0.00 51.96 51.15 3hac s ALA 732 Cb -0.11 0.08 0.07 0.00 0.00 0.00 0.00 23.12 23.15 3hac s ALA 732 CO 0.06 -0.08 0.31 1.41 0.00 0.00 0.00 175.76 177.46 3hac s MET 733 N -2.19 0.22 0.19 0.00 1.75 -0.42 -4.93 119.30 113.92 3hac s MET 733 Ca -0.04 0.78 -0.02 0.00 -1.25 0.00 0.00 55.69 55.15 3hac s MET 733 Cb -0.06 0.03 -0.05 0.00 2.84 0.00 0.00 34.83 37.60 3hac s MET 733 CO -0.01 -0.24 0.40 1.67 -0.65 0.00 0.00 175.02 176.18 3hac s TRP 734 N 2.13 3.48 -0.30 4.11 -2.14 -1.26 -2.28 118.94 122.68 3hac s TRP 734 Ca -0.03 0.42 0.03 0.00 2.66 0.00 0.00 56.10 59.18 3hac s TRP 734 Cb -0.11 -1.91 0.08 0.00 -3.10 0.00 0.00 33.47 28.43 3hac s TRP 734 CO -0.10 0.38 -0.03 0.71 -2.66 0.00 0.00 176.95 175.25 3hac s TYR 735 N -1.83 3.46 0.10 1.66 1.51 -0.67 -4.93 117.35 116.66 3hac s TYR 735 Ca 0.39 -2.55 -0.32 0.00 -1.01 0.00 0.00 57.07 53.58 3hac s TYR 735 Cb -0.11 -2.36 -0.12 0.00 -0.11 0.00 0.00 41.96 39.26 3hac s TYR 735 CO 0.28 -0.90 1.78 2.41 -1.11 0.00 0.00 175.55 178.01 3hac n THR 736 N 4.38 0.30 -1.00 -0.71 -1.04 -1.26 -1.43 114.28 113.52 3hac n THR 736 Ca -0.07 -0.05 0.00 0.00 -2.04 0.00 0.00 64.05 61.89 3hac n THR 736 Cb 0.42 -1.95 0.00 0.00 -1.82 0.00 0.00 70.33 66.98 3hac n THR 736 CO 0.00 0.00 0.00 0.47 -0.64 0.00 0.00 175.07 174.90 3hac n ASP 737 N 5.23 -4.85 -4.85 8.00 8.00 -1.26 -4.88 116.55 121.93 3hac n ASP 737 Ca 0.18 0.00 -0.33 0.00 0.71 0.00 0.00 54.79 55.35 3hac n ASP 737 Cb 0.34 -2.39 -0.06 0.00 -0.02 0.00 0.00 41.12 39.00 3hac n ASP 737 CO 0.00 0.00 0.00 -1.61 -0.39 0.00 0.00 177.20 175.20 3hac s GLU 738 N -1.26 3.97 0.00 -1.24 0.41 -1.03 -4.63 118.70 114.92 3hac s GLU 738 Ca 0.00 0.55 0.00 0.00 -0.41 0.00 0.00 54.97 55.11 3hac s GLU 738 Cb 0.00 -2.61 0.00 0.00 -1.78 0.00 0.00 34.13 29.74 3hac s GLU 738 CO 0.00 0.27 0.00 -0.40 -0.49 0.00 0.00 175.26 174.64 3hac n ASP 739 N -0.04 0.03 0.28 -0.19 5.68 -1.26 -1.43 116.55 119.62 3hac n ASP 739 Ca 0.01 0.00 0.13 0.00 -0.50 0.00 0.00 54.79 54.43 3hac n ASP 739 Cb 0.52 0.00 0.83 0.00 -1.14 0.00 0.00 41.12 41.34 3hac n ASP 739 CO 0.00 0.00 0.00 -0.74 -1.33 0.00 0.00 177.20 175.13 3hac h HIS 740 N 0.00 0.00 0.00 2.11 -0.00 -1.92 -2.32 115.15 113.02 3hac h HIS 740 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 60.37 60.37 3hac h HIS 740 Cb 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 27.41 27.41 3hac h HIS 740 CO 0.00 0.04 -0.44 0.78 -0.00 0.00 0.00 177.93 178.31 3hac h GLY 741 N 0.21 0.00 -6.95 5.26 0.00 -1.99 -3.48 103.07 96.12 3hac h GLY 741 Ca -0.00 0.00 -0.55 0.00 0.00 0.00 0.00 47.33 46.78 3hac h GLY 741 CO 0.00 0.00 -0.89 1.39 0.00 0.00 0.00 176.54 177.05 3hac n ILE 742 N -2.87 -1.65 0.37 2.60 5.41 -0.87 -4.85 119.36 117.49 3hac n ILE 742 Ca 0.02 -0.49 0.04 0.00 1.00 0.00 0.00 62.75 63.33 3hac n ILE 742 Cb 0.53 -1.47 -0.00 0.00 -0.71 0.00 0.00 39.64 37.99 3hac n ILE 742 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 3hac n ALA 743 N -4.44 2.74 -1.64 -1.39 0.00 -1.26 -3.67 120.51 110.86 3hac n ALA 743 Ca -0.19 -0.40 -0.37 0.00 0.00 0.00 0.00 53.44 52.48 3hac n ALA 743 Cb 0.55 -0.29 0.07 0.00 0.00 0.00 0.00 19.45 19.78 3hac n ALA 743 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.50 176.37 3hac n SER 744 N -0.32 1.43 -0.16 0.00 3.41 -1.26 -4.73 113.62 112.00 3hac n SER 744 Ca 0.03 0.79 -0.03 0.00 -0.26 0.00 0.00 58.87 59.41 3hac n SER 744 Cb 0.17 -1.48 0.06 0.00 -0.26 0.00 0.00 64.21 62.70 3hac n SER 744 CO 0.00 0.00 0.00 -1.28 -0.16 0.00 0.00 175.04 173.60 3hac h SER 745 N 0.38 0.05 -0.21 4.04 0.87 -2.00 -0.64 113.55 116.05 3hac h SER 745 Ca -0.50 0.08 -0.08 0.00 -1.23 0.00 0.00 61.79 60.06 3hac h SER 745 Cb 1.35 0.10 -0.00 0.00 -0.44 0.00 0.00 62.40 63.40 3hac h SER 745 CO 0.51 0.06 -0.18 0.71 -0.53 0.00 0.00 176.83 177.40 3hac h THR 746 N 0.27 1.32 -0.71 2.23 1.35 -1.98 -2.69 112.91 112.70 3hac h THR 746 Ca 0.24 -1.33 -0.04 0.00 -0.55 0.00 0.00 66.41 64.73 3hac h THR 746 Cb 0.30 1.73 -0.03 0.00 -1.73 0.00 0.00 68.15 68.42 3hac h THR 746 CO -0.30 0.40 0.28 0.00 -0.25 0.00 0.00 175.52 175.66 3hac h ALA 747 N 0.66 1.15 -0.34 6.62 0.00 -1.86 -1.16 119.26 124.34 3hac h ALA 747 Ca 0.04 -0.18 -0.00 0.00 0.00 0.00 0.00 54.91 54.76 3hac h ALA 747 Cb 0.72 -0.28 -0.02 0.00 0.00 0.00 0.00 17.79 18.21 3hac h ALA 747 CO 0.05 0.61 0.21 1.25 0.00 0.00 0.00 179.25 181.36 3hac h HIS 748 N 1.03 0.44 -0.57 0.00 2.76 -1.10 0.12 115.15 117.83 3hac h HIS 748 Ca 0.24 0.00 -0.03 0.00 -2.20 0.00 0.00 60.37 58.38 3hac h HIS 748 Cb 0.21 -0.15 -0.03 0.00 1.55 0.00 0.00 27.41 28.99 3hac h HIS 748 CO 0.02 0.31 0.24 1.96 -1.30 0.00 0.00 177.93 179.16 3hac h GLN 749 N 0.44 0.84 -0.24 5.26 4.20 -1.34 -2.80 115.11 121.47 3hac h GLN 749 Ca 0.12 -0.15 -0.02 0.00 0.06 0.00 0.00 58.65 58.67 3hac h GLN 749 Cb -0.00 -0.14 -0.01 0.00 0.30 0.00 0.00 27.48 27.63 3hac h GLN 749 CO -0.02 0.72 0.08 1.25 -0.67 0.00 0.00 178.83 180.18 3hac h HIS 750 N 0.77 0.39 -0.56 2.96 2.76 -0.87 -1.44 115.15 119.17 3hac h HIS 750 Ca 0.19 -0.04 -0.01 0.00 -2.20 0.00 0.00 60.37 58.31 3hac h HIS 750 Cb 0.18 -0.11 -0.03 0.00 1.55 0.00 0.00 27.41 29.00 3hac h HIS 750 CO 0.01 0.44 0.31 0.97 -1.30 0.00 0.00 177.93 178.36 3hac h ILE 751 N 0.22 1.18 -0.01 6.26 2.10 -0.78 -0.25 117.51 126.23 3hac h ILE 751 Ca 0.08 -0.45 -0.15 0.00 1.08 0.00 0.00 64.86 65.41 3hac h ILE 751 Cb 0.24 0.47 -0.02 0.00 -1.09 0.00 0.00 36.82 36.42 3hac h ILE 751 CO -0.00 0.19 -0.71 1.88 -1.08 0.00 0.00 178.15 178.43 3hac h TYR 752 N 0.75 0.09 -0.29 2.19 0.05 -1.48 -0.19 116.97 118.09 3hac h TYR 752 Ca 0.20 -0.04 -0.04 0.00 0.05 0.00 0.00 58.73 58.90 3hac h TYR 752 Cb 0.04 -0.01 -0.01 0.00 1.01 0.00 0.00 36.73 37.75 3hac h TYR 752 CO -0.02 0.75 0.03 1.15 -1.05 0.00 0.00 178.16 179.02 3hac h THR 753 N 0.04 1.24 -0.33 -2.88 2.02 -1.08 -1.55 112.91 110.37 3hac h THR 753 Ca -0.01 -0.85 -0.05 0.00 0.77 0.00 0.00 66.41 66.26 3hac h THR 753 Cb 1.25 1.25 -0.01 0.00 -1.74 0.00 0.00 68.15 68.90 3hac h THR 753 CO 0.10 0.27 -0.01 -0.74 0.37 0.00 0.00 175.52 175.51 3hac h HIS 754 N 0.29 0.64 -0.62 3.16 -0.00 -0.75 -2.28 115.15 115.58 3hac h HIS 754 Ca 0.08 -0.11 -0.04 0.00 -0.00 0.00 0.00 60.37 60.30 3hac h HIS 754 Cb 0.38 -0.16 -0.03 0.00 -0.00 0.00 0.00 27.41 27.59 3hac h HIS 754 CO 0.03 0.71 0.24 0.52 -0.00 0.00 0.00 177.93 179.43 3hac h MET 755 N 0.38 0.92 -0.36 5.26 2.07 -1.08 -2.13 114.93 119.99 3hac h MET 755 Ca 0.09 -0.15 -0.02 0.00 -2.07 0.00 0.00 59.70 57.55 3hac h MET 755 Cb 0.46 -0.16 -0.02 0.00 -1.87 0.00 0.00 31.60 30.02 3hac h MET 755 CO 0.02 0.76 0.14 0.77 1.07 0.00 0.00 176.91 179.67 3hac h SER 756 N 0.90 0.50 -0.52 1.22 0.02 -1.04 -0.46 113.55 114.18 3hac h SER 756 Ca 0.21 -0.17 0.08 0.00 -0.84 0.00 0.00 61.79 61.07 3hac h SER 756 Cb 0.19 -0.13 -0.06 0.00 0.14 0.00 0.00 62.40 62.54 3hac h SER 756 CO -0.02 0.53 0.18 0.45 -1.14 0.00 0.00 176.83 176.83 3hac h HIS 757 N 0.44 0.30 -0.10 3.45 3.86 -1.25 -0.90 115.15 120.95 3hac h HIS 757 Ca 0.12 0.03 -0.01 0.00 -1.16 0.00 0.00 60.37 59.35 3hac h HIS 757 Cb 0.19 -0.06 -0.00 0.00 1.06 0.00 0.00 27.41 28.60 3hac h HIS 757 CO -0.00 0.08 0.04 0.35 0.86 0.00 0.00 177.93 179.26 3hac h PHE 758 N 0.35 0.15 -0.30 2.45 3.57 -0.99 -0.72 116.94 121.45 3hac h PHE 758 Ca 0.25 -0.01 -0.01 0.00 3.53 0.00 0.00 57.97 61.74 3hac h PHE 758 Cb 0.29 -0.05 -0.01 0.00 2.79 0.00 0.00 35.95 38.97 3hac h PHE 758 CO -0.17 0.24 0.16 0.82 -2.23 0.00 0.00 178.31 177.13 3hac h ILE 759 N 0.01 1.13 -0.54 1.41 1.08 -1.01 -1.22 117.51 118.37 3hac h ILE 759 Ca 0.03 -0.35 0.00 0.00 -0.39 0.00 0.00 64.86 64.16 3hac h ILE 759 Cb 0.16 0.82 -0.03 0.00 -3.07 0.00 0.00 36.82 34.70 3hac h ILE 759 CO -0.00 0.13 0.35 0.11 -0.69 0.00 0.00 178.15 178.05 3hac h LYS 760 N 0.36 0.72 -0.07 2.37 1.57 -1.07 -0.92 116.57 119.54 3hac h LYS 760 Ca 0.10 -0.05 0.04 0.00 -1.87 0.00 0.00 60.65 58.87 3hac h LYS 760 Cb 0.07 -0.16 -0.04 0.00 0.08 0.00 0.00 32.23 32.18 3hac h LYS 760 CO -0.02 0.50 -0.18 0.37 -0.57 0.00 0.00 179.45 179.55 3hac h GLN 761 N 0.73 -0.25 -0.90 3.15 -0.00 -1.05 0.20 115.11 117.00 3hac h GLN 761 Ca 0.20 0.02 0.13 0.00 -0.00 0.00 0.00 58.65 58.99 3hac h GLN 761 Cb -0.06 0.06 -0.09 0.00 0.00 0.00 0.00 27.48 27.39 3hac h GLN 761 CO -0.04 -0.16 0.52 0.00 0.00 0.00 0.00 178.83 179.14 3hac n PHE 763 N -4.76 0.44 -3.57 0.00 3.72 -0.39 -4.94 117.46 107.97 3hac n PHE 763 Ca 0.17 -0.22 -0.25 0.00 -0.05 0.00 0.00 57.45 57.10 3hac n PHE 763 Cb 0.38 0.00 0.06 0.00 -0.94 0.00 0.00 39.48 38.98 3hac n PHE 763 CO 0.00 0.00 0.00 0.43 -0.05 0.00 0.00 176.76 177.14 3hac n SER 764 N 0.80 -5.89 -4.72 4.37 7.64 -0.62 -4.99 113.62 110.20 3hac n SER 764 Ca 0.17 -0.55 -0.36 0.00 1.01 0.00 0.00 58.87 59.14 3hac n SER 764 Cb 0.41 -4.67 -0.08 0.00 -1.01 0.00 0.00 64.21 58.87 3hac n SER 764 CO 0.00 0.00 0.00 -0.76 -3.01 0.00 0.00 175.04 171.27 3hac s LEU 765 N -7.18 4.22 0.00 -3.43 1.43 0.61 -5.03 118.68 109.30 3hac s LEU 765 Ca 0.56 0.35 0.10 0.00 -1.03 0.00 0.00 54.13 54.10 3hac s LEU 765 Cb -0.26 -2.22 0.60 0.00 0.03 0.00 0.00 46.19 44.34 3hac s LEU 765 CO 0.69 0.13 1.05 -0.81 0.23 0.00 0.00 176.35 177.63