#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1s4f s ILE 93 N 0.00 1.52 0.43 2.52 -4.36 -1.26 -5.13 121.20 114.92 1s4f s ILE 93 Ca 0.00 -2.01 -0.23 0.00 -0.26 0.00 0.00 60.65 58.15 1s4f s ILE 93 Cb 0.00 -2.85 -0.08 0.00 1.25 0.00 0.00 42.46 40.78 1s4f s ILE 93 CO 0.00 -0.02 1.09 -0.13 0.24 0.00 0.00 174.94 176.12 1s4f s ARG 94 N -3.81 3.98 0.20 0.37 0.52 -1.26 -4.92 118.95 114.02 1s4f s ARG 94 Ca 0.36 1.58 -0.12 0.00 -0.52 0.00 0.00 55.73 57.02 1s4f s ARG 94 Cb 0.09 -2.44 0.24 0.00 0.52 0.00 0.00 34.95 33.36 1s4f s ARG 94 CO 0.16 -0.32 1.67 0.93 0.02 0.00 0.00 175.30 177.76 1s4f h GLU 95 N 2.22 0.11 0.00 3.54 4.39 -2.01 -0.55 114.58 122.28 1s4f h GLU 95 Ca -0.49 -0.01 0.00 0.00 0.34 0.00 0.00 59.36 59.21 1s4f h GLU 95 Cb 1.23 -0.02 0.00 0.00 -0.10 0.00 0.00 28.75 29.85 1s4f h GLU 95 CO 0.61 0.07 0.00 -2.39 -1.16 0.00 0.00 179.01 176.14 1s4f n HIS 96 N -5.26 0.00 -0.11 4.33 1.44 -1.26 -2.22 115.22 112.14 1s4f n HIS 96 Ca 0.07 0.00 -0.13 0.00 -2.01 0.00 0.00 57.72 55.65 1s4f n HIS 96 Cb 0.31 -0.12 -0.14 0.00 0.12 0.00 0.00 29.99 30.16 1s4f n HIS 96 CO 0.00 0.00 0.00 0.09 -2.81 0.00 0.00 176.34 173.62 1s4f n ASN 97 N -1.12 0.94 0.12 4.39 3.02 -0.24 -4.50 115.26 117.88 1s4f n ASN 97 Ca 0.08 -0.06 0.17 0.00 -0.03 0.00 0.00 54.58 54.73 1s4f n ASN 97 Cb 0.06 0.41 0.49 0.00 -0.61 0.00 0.00 39.78 40.13 1s4f n ASN 97 CO 0.00 0.00 0.00 0.11 -2.62 0.00 0.00 177.26 174.75 1s4f h LYS 98 N 0.00 0.00 -1.00 3.52 1.57 -1.19 -0.76 116.57 118.71 1s4f h LYS 98 Ca -0.54 0.00 0.17 0.00 -1.87 0.00 0.00 60.65 58.40 1s4f h LYS 98 Cb 2.07 0.00 -0.10 0.00 0.08 0.00 0.00 32.23 34.28 1s4f h LYS 98 CO -0.02 0.00 0.62 0.11 -0.57 0.00 0.00 179.45 179.59 1s4f h TRP 99 N 0.00 1.10 -0.57 -1.35 5.08 -1.79 -2.08 115.95 116.34 1s4f h TRP 99 Ca 0.19 0.03 0.09 0.00 1.08 0.00 0.00 58.89 60.28 1s4f h TRP 99 Cb 1.75 -0.34 -0.07 0.00 -3.00 0.00 0.00 29.16 27.51 1s4f h TRP 99 CO 0.00 0.31 0.19 0.97 -1.28 0.00 0.00 178.44 178.64 1s4f h ILE 100 N 0.85 0.77 -0.23 0.12 6.09 -1.48 -2.60 117.51 121.03 1s4f h ILE 100 Ca 0.55 -0.13 0.07 0.00 -1.37 0.00 0.00 64.86 63.98 1s4f h ILE 100 Cb 0.76 0.37 -0.01 0.00 0.47 0.00 0.00 36.82 38.41 1s4f h ILE 100 CO -0.34 0.07 0.47 -0.07 -3.07 0.00 0.00 178.15 175.20 1s4f h LEU 101 N 0.37 0.00 -0.80 2.19 3.38 -1.58 0.21 115.31 119.08 1s4f h LEU 101 Ca 0.28 0.00 -0.06 0.00 0.09 0.00 0.00 57.88 58.19 1s4f h LEU 101 Cb 0.35 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.09 1s4f h LEU 101 CO -0.30 0.00 -0.29 0.11 0.09 0.00 0.00 178.44 178.05 1s4f h LYS 102 N 0.00 0.00 0.00 1.13 1.57 -1.58 -3.09 116.57 114.60 1s4f h LYS 102 Ca 0.11 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.89 1s4f h LYS 102 Cb 1.04 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.35 1s4f h LYS 102 CO -0.00 0.29 -0.18 0.87 -0.57 0.00 0.00 179.45 179.86 1s4f h LYS 103 N 0.00 0.00 -6.83 3.15 1.57 -0.74 -3.46 116.57 110.26 1s4f h LYS 103 Ca -0.00 0.00 -0.53 0.00 -1.87 0.00 0.00 60.65 58.25 1s4f h LYS 103 Cb 0.91 0.00 0.08 0.00 0.08 0.00 0.00 32.23 33.30 1s4f h LYS 103 CO 0.04 0.00 0.77 0.42 -0.57 0.00 0.00 179.45 180.11 1s4f s ILE 104 N -3.15 2.37 -0.05 1.86 1.01 -1.17 -4.67 121.20 117.41 1s4f s ILE 104 Ca 0.08 0.34 -0.02 0.00 0.00 0.00 0.00 60.65 61.05 1s4f s ILE 104 Cb 0.11 -3.22 -0.02 0.00 0.01 0.00 0.00 42.46 39.34 1s4f s ILE 104 CO 0.65 0.07 -0.06 0.54 0.00 0.00 0.00 174.94 176.13 1s4f n ARG 105 N 1.55 0.10 -1.82 2.79 5.12 -0.98 -5.02 116.66 118.41 1s4f n ARG 105 Ca 0.04 0.05 -0.06 0.00 -1.93 0.00 0.00 57.85 55.95 1s4f n ARG 105 Cb 0.40 -0.67 0.01 0.00 -1.16 0.00 0.00 32.46 31.03 1s4f n ARG 105 CO 0.00 0.00 0.00 1.19 -1.93 0.00 0.00 177.63 176.89 1s4f n PHE 106 N -3.22 -2.07 -3.21 -1.55 3.01 -0.90 -4.99 117.46 104.53 1s4f n PHE 106 Ca -0.10 -0.60 -0.31 0.00 1.01 0.00 0.00 57.45 57.46 1s4f n PHE 106 Cb 0.56 -0.14 -0.04 0.00 -0.01 0.00 0.00 39.48 39.85 1s4f n PHE 106 CO 0.00 0.00 0.00 -1.14 1.01 0.00 0.00 176.76 176.63 1s4f s GLN 107 N -2.66 3.79 0.42 -1.08 0.74 -1.26 -2.96 119.66 116.65 1s4f s GLN 107 Ca 0.13 0.33 -0.24 0.00 0.05 0.00 0.00 55.36 55.62 1s4f s GLN 107 Cb -0.01 -2.54 -0.08 0.00 1.10 0.00 0.00 33.01 31.48 1s4f s GLN 107 CO 0.08 0.18 1.17 0.20 -0.55 0.00 0.00 175.29 176.37 1s4f s GLY 108 N -2.74 2.83 -0.15 2.59 0.00 -1.26 -3.82 107.32 104.77 1s4f s GLY 108 Ca 0.49 0.96 0.24 0.00 0.00 0.00 0.00 44.72 46.41 1s4f s GLY 108 CO 0.25 1.45 1.14 -2.01 0.00 0.00 0.00 173.10 173.93 1s4f n ASN 109 N -0.16 1.35 -0.01 1.64 2.85 -1.26 -4.80 115.26 114.87 1s4f n ASN 109 Ca 0.05 -2.04 0.08 0.00 -0.11 0.00 0.00 54.58 52.57 1s4f n ASN 109 Cb 0.47 -0.40 -0.14 0.00 1.24 0.00 0.00 39.78 40.95 1s4f n ASN 109 CO 0.00 0.00 0.00 0.18 -2.11 0.00 0.00 177.26 175.33 1s4f n LEU 110 N -0.13 0.00 -4.02 1.20 4.77 -1.26 -4.99 117.00 112.57 1s4f n LEU 110 Ca 0.07 0.00 -0.30 0.00 -0.03 0.00 0.00 56.01 55.75 1s4f n LEU 110 Cb 0.95 0.02 -0.01 0.00 -2.33 0.00 0.00 43.42 42.06 1s4f n LEU 110 CO 0.02 0.02 -0.08 -3.20 -1.33 0.00 0.00 177.39 172.83 1s4f n ASN 111 N -2.13 -2.37 -4.77 -1.43 5.15 -1.26 -4.88 115.26 103.57 1s4f n ASN 111 Ca -0.05 -0.95 -0.39 0.00 -0.60 0.00 0.00 54.58 52.60 1s4f n ASN 111 Cb 0.49 -3.20 -0.00 0.00 -0.53 0.00 0.00 39.78 36.53 1s4f n ASN 111 CO 0.00 0.00 0.00 0.42 1.40 0.00 0.00 177.26 179.08 1s4f s THR 112 N -3.56 2.63 -1.31 -0.44 -4.23 -1.26 -4.92 115.64 102.54 1s4f s THR 112 Ca 0.40 0.56 0.13 0.00 -1.18 0.00 0.00 61.69 61.60 1s4f s THR 112 Cb -0.21 -3.32 0.29 0.00 1.34 0.00 0.00 72.50 70.59 1s4f s THR 112 CO 0.88 0.07 1.19 0.29 -0.54 0.00 0.00 174.62 176.52 1s4f n LYS 113 N 0.05 2.21 0.00 3.99 5.02 -1.26 -4.47 118.16 123.70 1s4f n LYS 113 Ca 0.04 -1.89 0.00 0.00 -2.02 0.00 0.00 58.31 54.44 1s4f n LYS 113 Cb 0.44 -1.31 0.00 0.00 -0.02 0.00 0.00 35.03 34.14 1s4f n LYS 113 CO 0.00 0.00 0.00 1.63 -0.52 0.00 0.00 177.40 178.51 1s4f n LYS 114 N 0.74 0.00 -4.41 1.97 4.76 -1.26 -5.08 118.16 114.88 1s4f n LYS 114 Ca 0.12 -0.09 -0.20 0.00 -2.87 0.00 0.00 58.31 55.27 1s4f n LYS 114 Cb 0.42 -0.40 -0.14 0.00 -1.84 0.00 0.00 35.03 33.07 1s4f n LYS 114 CO 0.00 0.00 0.00 1.41 -1.37 0.00 0.00 177.40 177.44 1s4f s MET 115 N 0.00 0.89 0.11 1.97 1.75 -1.26 -5.12 119.30 117.64 1s4f s MET 115 Ca 0.00 -0.55 -0.31 0.00 -1.25 0.00 0.00 55.69 53.59 1s4f s MET 115 Cb 0.00 -0.86 -0.07 0.00 2.84 0.00 0.00 34.83 36.74 1s4f s MET 115 CO 0.00 0.23 1.26 -1.17 -0.65 0.00 0.00 175.02 174.68 1s4f s LEU 116 N -0.65 4.39 -0.58 4.11 2.96 -1.26 -4.61 118.68 123.04 1s4f s LEU 116 Ca 0.02 2.17 0.06 0.00 -0.22 0.00 0.00 54.13 56.16 1s4f s LEU 116 Cb -0.06 -3.59 0.28 0.00 0.50 0.00 0.00 46.19 43.33 1s4f s LEU 116 CO 0.00 -0.50 0.79 -3.20 -1.32 0.00 0.00 176.35 172.12 1s4f n ASN 117 N 3.56 3.41 -0.24 3.68 5.15 -1.26 -4.99 115.26 124.56 1s4f n ASN 117 Ca 0.08 -3.41 -0.06 0.00 -0.60 0.00 0.00 54.58 50.59 1s4f n ASN 117 Cb 0.45 -0.63 -0.06 0.00 -0.53 0.00 0.00 39.78 39.01 1s4f n ASN 117 CO 0.00 0.00 0.00 -2.65 1.40 0.00 0.00 177.26 176.01 1s4f n PRO 118 N 0.53 -0.25 0.00 1.20 -0.02 -1.26 -4.40 135.00 130.80 1s4f n PRO 118 Ca 0.29 0.97 0.00 0.00 -2.02 0.00 0.00 63.50 62.74 1s4f n PRO 118 Cb 0.43 -1.43 0.00 0.00 -0.02 0.00 0.00 33.50 32.49 1s4f n PRO 118 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1s4f n GLY 119 N -1.14 1.68 3.11 -1.23 0.00 -1.26 -4.20 105.19 102.15 1s4f n GLY 119 Ca 0.01 -0.52 -0.18 0.00 0.00 0.00 0.00 46.02 45.33 1s4f n GLY 119 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1s4f s LYS 120 N 1.41 0.78 0.55 1.61 2.20 -1.16 -4.48 119.74 120.66 1s4f s LYS 120 Ca 0.00 -0.71 -0.04 0.00 -0.36 0.00 0.00 55.97 54.86 1s4f s LYS 120 Cb 0.00 -0.74 0.00 0.00 -1.51 0.00 0.00 37.83 35.58 1s4f s LYS 120 CO 0.00 0.18 0.84 -0.51 -0.36 0.00 0.00 175.35 175.50 1s4f s LEU 121 N -1.17 3.34 0.00 5.43 1.43 -1.26 -2.12 118.68 124.34 1s4f s LEU 121 Ca -0.01 0.62 0.29 0.00 -1.03 0.00 0.00 54.13 54.00 1s4f s LEU 121 Cb -0.08 -3.46 1.35 0.00 0.03 0.00 0.00 46.19 44.03 1s4f s LEU 121 CO 0.01 -0.97 1.94 -1.54 0.23 0.00 0.00 176.35 176.02 1s4f n SER 122 N -2.46 0.29 -4.90 2.29 3.41 -1.26 -4.81 113.62 106.18 1s4f n SER 122 Ca 0.04 -0.45 -0.22 0.00 -0.26 0.00 0.00 58.87 57.98 1s4f n SER 122 Cb 0.57 -0.14 -0.03 0.00 -0.26 0.00 0.00 64.21 64.35 1s4f n SER 122 CO 0.00 0.00 0.00 -1.61 -0.16 0.00 0.00 175.04 173.27 1s4f s GLU 123 N -2.49 3.20 0.09 4.33 2.02 -1.26 -2.33 118.70 122.26 1s4f s GLU 123 Ca 0.29 -0.88 -0.08 0.00 0.02 0.00 0.00 54.97 54.33 1s4f s GLU 123 Cb 0.20 -2.75 -0.00 0.00 0.10 0.00 0.00 34.13 31.68 1s4f s GLU 123 CO 0.47 0.43 0.18 -1.14 0.02 0.00 0.00 175.26 175.22 1s4f s GLN 124 N -3.82 0.86 -0.40 1.61 0.74 -0.27 -4.87 119.66 113.50 1s4f s GLN 124 Ca 0.33 -1.00 -0.19 0.00 0.05 0.00 0.00 55.36 54.56 1s4f s GLN 124 Cb -0.09 0.34 0.01 0.00 1.10 0.00 0.00 33.01 34.37 1s4f s GLN 124 CO 0.27 -0.27 0.54 -0.51 -0.55 0.00 0.00 175.29 174.77 1s4f s LEU 125 N -2.88 4.54 0.90 3.68 1.02 -1.26 -1.88 118.68 122.81 1s4f s LEU 125 Ca 0.06 -0.31 -0.18 0.00 0.02 0.00 0.00 54.13 53.72 1s4f s LEU 125 Cb 0.05 -2.59 -0.15 0.00 0.02 0.00 0.00 46.19 43.53 1s4f s LEU 125 CO -0.10 -0.62 -0.88 -0.67 0.02 0.00 0.00 176.35 174.10 1s4f n ASP 126 N 5.90 -4.85 0.00 2.29 -0.08 0.34 -4.83 116.55 115.32 1s4f n ASP 126 Ca -0.04 0.13 0.13 0.00 -1.51 0.00 0.00 54.79 53.49 1s4f n ASP 126 Cb 0.48 -0.63 0.77 0.00 2.34 0.00 0.00 41.12 44.08 1s4f n ASP 126 CO 0.00 0.00 0.00 -1.14 0.12 0.00 0.00 177.20 176.18 1s4f n ARG 127 N 2.25 0.99 -0.60 -0.67 0.00 -1.26 -3.21 116.66 114.17 1s4f n ARG 127 Ca -0.02 0.00 0.01 0.00 -0.00 0.00 0.00 57.85 57.85 1s4f n ARG 127 Cb 0.55 -1.41 0.02 0.00 0.00 0.00 0.00 32.46 31.61 1s4f n ARG 127 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.63 175.72 1s4f n GLU 128 N -0.91 0.12 0.00 -0.14 4.07 -1.26 -5.04 120.64 117.48 1s4f n GLU 128 Ca 0.20 -1.29 0.00 0.00 -0.06 0.00 0.00 57.16 56.01 1s4f n GLU 128 Cb 0.09 -0.53 0.00 0.00 -0.06 0.00 0.00 31.44 30.94 1s4f n GLU 128 CO 0.00 0.00 0.00 0.41 -0.06 0.00 0.00 177.13 177.48 1s4f n GLY 129 N -0.06 2.83 2.36 8.31 0.00 -1.20 -5.10 105.19 112.33 1s4f n GLY 129 Ca 0.02 -0.84 -0.29 0.00 0.00 0.00 0.00 46.02 44.91 1s4f n GLY 129 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1s4f n ARG 130 N 0.00 0.00 -3.95 1.61 5.12 -1.26 -4.23 116.66 113.95 1s4f n ARG 130 Ca 0.00 0.00 -0.31 0.00 -1.93 0.00 0.00 57.85 55.61 1s4f n ARG 130 Cb 0.00 -0.79 -0.14 0.00 -1.16 0.00 0.00 32.46 30.38 1s4f n ARG 130 CO 0.00 0.00 0.00 0.21 -1.93 0.00 0.00 177.63 175.91 1s4f s LYS 131 N -1.57 1.92 0.66 5.56 2.20 -1.26 0.12 119.74 127.38 1s4f s LYS 131 Ca 0.30 -2.48 -0.02 0.00 -0.36 0.00 0.00 55.97 53.41 1s4f s LYS 131 Cb -0.06 -3.33 0.08 0.00 -1.51 0.00 0.00 37.83 33.01 1s4f s LYS 131 CO 0.60 -1.08 0.93 -0.98 -0.36 0.00 0.00 175.35 174.46 1s4f s ARG 132 N -0.05 2.08 0.19 4.03 1.70 -0.79 -4.82 118.95 121.28 1s4f s ARG 132 Ca 0.16 -0.75 -0.09 0.00 -0.47 0.00 0.00 55.73 54.58 1s4f s ARG 132 Cb -0.24 -2.33 -0.07 0.00 -0.57 0.00 0.00 34.95 31.74 1s4f s ARG 132 CO -0.02 -1.17 0.50 -0.80 -1.08 0.00 0.00 175.30 172.73 1s4f s ASN 133 N -4.57 6.62 -0.07 -2.89 -0.87 -1.26 -1.12 114.94 110.78 1s4f s ASN 133 Ca 0.62 0.86 -0.21 0.00 -1.57 0.00 0.00 52.86 52.55 1s4f s ASN 133 Cb -0.08 -2.20 -0.17 0.00 -0.02 0.00 0.00 41.25 38.78 1s4f s ASN 133 CO 0.43 0.00 0.80 0.40 -2.57 0.00 0.00 177.10 176.16 1s4f h ILE 134 N 2.20 1.02 -2.44 0.60 2.04 -1.80 -3.46 117.51 115.66 1s4f h ILE 134 Ca -0.47 -1.37 0.00 0.00 1.00 0.00 0.00 64.86 64.01 1s4f h ILE 134 Cb 1.17 1.77 0.00 0.00 -0.74 0.00 0.00 36.82 39.03 1s4f h ILE 134 CO 0.69 0.29 0.00 -1.22 0.00 0.00 0.00 178.15 177.91 1s4f n TYR 135 N -4.84 0.00 -3.75 1.37 4.02 -1.26 -4.80 117.16 107.90 1s4f n TYR 135 Ca -0.08 0.00 -0.37 0.00 -0.01 0.00 0.00 57.90 57.44 1s4f n TYR 135 Cb 0.28 0.00 -0.12 0.00 -0.02 0.00 0.00 39.34 39.48 1s4f n TYR 135 CO 0.00 0.00 0.00 -0.80 -1.01 0.00 0.00 176.86 175.05 1s4f s ASN 136 N -0.66 5.19 0.00 7.72 0.01 -0.43 -4.95 114.94 121.81 1s4f s ASN 136 Ca 0.00 -0.84 0.00 0.00 -0.71 0.00 0.00 52.86 51.31 1s4f s ASN 136 Cb 0.00 -1.88 0.00 0.00 0.41 0.00 0.00 41.25 39.78 1s4f s ASN 136 CO 0.00 -0.24 0.32 1.57 -1.51 0.00 0.00 177.10 177.25 1s4f n HIS 137 N 4.85 0.00 -0.29 2.20 -0.00 -1.26 0.10 115.22 120.82 1s4f n HIS 137 Ca -0.14 0.00 -0.10 0.00 0.46 0.00 0.00 57.72 57.95 1s4f n HIS 137 Cb 0.47 0.00 -0.08 0.00 -0.12 0.00 0.00 29.99 30.26 1s4f n HIS 137 CO 0.00 0.00 0.00 1.96 0.46 0.00 0.00 176.34 178.76 1s4f h GLN 138 N 0.00 -0.08 -0.26 1.57 1.08 -1.97 1.68 115.11 117.13 1s4f h GLN 138 Ca 0.00 0.01 0.06 0.00 -1.45 0.00 0.00 58.65 57.27 1s4f h GLN 138 Cb 0.00 0.02 -0.07 0.00 -0.05 0.00 0.00 27.48 27.37 1s4f h GLN 138 CO 0.00 -0.05 -0.27 0.82 -0.95 0.00 0.00 178.83 178.38 1s4f h ILE 139 N -0.08 0.34 -0.27 2.54 2.04 -1.88 0.13 117.51 120.34 1s4f h ILE 139 Ca 0.11 0.00 0.01 0.00 1.00 0.00 0.00 64.86 65.98 1s4f h ILE 139 Cb 0.37 0.34 -0.02 0.00 -0.74 0.00 0.00 36.82 36.78 1s4f h ILE 139 CO -0.70 0.00 0.17 1.23 0.00 0.00 0.00 178.15 178.84 1s4f h GLY 140 N -0.27 0.37 0.64 5.37 0.00 0.27 -1.61 103.07 107.84 1s4f h GLY 140 Ca 0.14 -0.13 0.03 0.00 0.00 0.00 0.00 47.33 47.37 1s4f h GLY 140 CO -0.42 0.12 -0.12 -0.84 0.00 0.00 0.00 176.54 175.29 1s4f h THR 141 N 0.34 0.69 -0.05 4.70 2.02 0.30 0.61 112.91 121.52 1s4f h THR 141 Ca 0.10 0.00 0.04 0.00 0.77 0.00 0.00 66.41 67.32 1s4f h THR 141 Cb -0.02 0.69 -0.05 0.00 -1.74 0.00 0.00 68.15 67.02 1s4f h THR 141 CO -0.03 0.00 -0.31 0.40 0.37 0.00 0.00 175.52 175.94 1s4f h ILE 142 N -0.17 0.31 -0.27 3.11 2.04 -0.80 0.40 117.51 122.12 1s4f h ILE 142 Ca 0.06 0.00 0.08 0.00 1.00 0.00 0.00 64.86 66.00 1s4f h ILE 142 Cb 0.26 0.31 -0.01 0.00 -0.74 0.00 0.00 36.82 36.64 1s4f h ILE 142 CO -0.16 0.00 0.28 0.24 0.00 0.00 0.00 178.15 178.51 1s4f h MET 143 N -0.44 0.00 0.02 2.37 2.86 -0.94 -0.29 114.93 118.52 1s4f h MET 143 Ca 0.07 0.00 -0.13 0.00 -2.06 0.00 0.00 59.70 57.59 1s4f h MET 143 Cb 0.54 0.00 0.01 0.00 0.06 0.00 0.00 31.60 32.22 1s4f h MET 143 CO -0.29 0.00 -0.51 0.77 1.06 0.00 0.00 176.91 177.93 1s4f h SER 144 N 0.00 0.41 -0.99 1.22 0.02 0.18 -2.91 113.55 111.48 1s4f h SER 144 Ca 0.13 -0.81 0.20 0.00 -0.84 0.00 0.00 61.79 60.47 1s4f h SER 144 Cb 0.69 -0.13 -0.19 0.00 0.14 0.00 0.00 62.40 62.91 1s4f h SER 144 CO -0.00 1.17 -0.23 -1.20 -1.14 0.00 0.00 176.83 175.43 1s4f n SER 145 N -4.30 -0.34 -4.73 3.07 7.64 0.10 -4.31 113.62 110.75 1s4f n SER 145 Ca -0.11 1.70 -0.27 0.00 1.01 0.00 0.00 58.87 61.21 1s4f n SER 145 Cb 0.64 -0.52 0.10 0.00 -1.01 0.00 0.00 64.21 63.42 1s4f n SER 145 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1s4f s ALA 146 N -6.23 3.01 -0.08 -0.43 0.00 -1.14 -4.92 121.76 111.96 1s4f s ALA 146 Ca -0.15 -1.07 0.00 0.00 0.00 0.00 0.00 51.96 50.74 1s4f s ALA 146 Cb 0.27 -2.58 0.00 0.00 0.00 0.00 0.00 23.12 20.81 1s4f s ALA 146 CO 0.77 -1.58 0.27 0.41 0.00 0.00 0.00 175.76 175.63 1s4f n GLY 147 N -3.11 0.56 3.66 0.00 0.00 -1.26 -4.80 105.19 100.23 1s4f n GLY 147 Ca 0.10 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.73 1s4f n GLY 147 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1s4f s ILE 148 N 0.58 5.07 -0.68 -0.61 1.01 -1.10 -2.64 121.20 122.82 1s4f s ILE 148 Ca 0.00 1.05 -0.14 0.00 0.00 0.00 0.00 60.65 61.57 1s4f s ILE 148 Cb 0.00 -3.89 0.17 0.00 0.01 0.00 0.00 42.46 38.76 1s4f s ILE 148 CO 0.00 0.15 0.61 -0.13 0.00 0.00 0.00 174.94 175.57 1s4f s ARG 149 N 1.77 3.21 0.57 2.79 0.52 -0.64 -4.29 118.95 122.87 1s4f s ARG 149 Ca 0.26 -2.13 0.42 0.00 -0.52 0.00 0.00 55.73 53.76 1s4f s ARG 149 Cb -0.16 -4.29 1.53 0.00 0.52 0.00 0.00 34.95 32.55 1s4f s ARG 149 CO 0.10 -1.29 1.57 -0.07 0.02 0.00 0.00 175.30 175.63 1s4f h LEU 150 N 8.19 0.00 -2.07 2.53 3.38 -1.92 0.68 115.31 126.10 1s4f h LEU 150 Ca -0.08 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 57.88 1s4f h LEU 150 Cb 1.06 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.81 1s4f h LEU 150 CO 0.86 0.00 -0.07 1.05 0.09 0.00 0.00 178.44 180.37 1s4f h GLU 151 N 0.00 0.00 -0.28 1.13 4.11 -1.98 -2.77 114.58 114.79 1s4f h GLU 151 Ca 0.76 0.00 0.00 0.00 0.07 0.00 0.00 59.36 60.19 1s4f h GLU 151 Cb 3.25 0.00 0.00 0.00 0.50 0.00 0.00 28.75 32.50 1s4f h GLU 151 CO -0.01 0.07 0.00 1.63 0.07 0.00 0.00 179.01 180.77 1s4f n LYS 152 N -4.01 2.20 -2.20 1.06 4.76 0.24 -4.90 118.16 115.31 1s4f n LYS 152 Ca -0.03 -1.80 -0.43 0.00 -2.87 0.00 0.00 58.31 53.18 1s4f n LYS 152 Cb 0.16 -1.46 -0.02 0.00 -1.84 0.00 0.00 35.03 31.86 1s4f n LYS 152 CO 0.00 0.00 0.00 -0.51 -1.37 0.00 0.00 177.40 175.52 1s4f s LEU 153 N -1.55 3.69 -0.79 -0.35 1.43 -1.05 -4.76 118.68 115.30 1s4f s LEU 153 Ca 0.36 1.23 -0.19 0.00 -1.03 0.00 0.00 54.13 54.49 1s4f s LEU 153 Cb 0.21 -3.53 -0.18 0.00 0.03 0.00 0.00 46.19 42.72 1s4f s LEU 153 CO 0.29 -1.41 1.92 -2.65 0.23 0.00 0.00 176.35 174.73 1s4f n PRO 154 N 7.96 0.14 -3.64 1.29 -0.02 -1.26 -4.74 135.00 134.72 1s4f n PRO 154 Ca 0.19 -1.06 -0.06 0.00 -2.02 0.00 0.00 63.50 60.55 1s4f n PRO 154 Cb 0.47 -3.04 -0.06 0.00 -0.02 0.00 0.00 33.50 30.85 1s4f n PRO 154 CO 0.00 0.00 0.00 -1.50 1.98 0.00 0.00 175.50 175.98 1s4f s ILE 155 N 11.90 -0.23 0.27 4.25 2.07 -1.26 -2.82 121.20 135.38 1s4f s ILE 155 Ca 0.69 0.00 0.02 0.00 -1.41 0.00 0.00 60.65 59.94 1s4f s ILE 155 Cb -0.11 -0.99 -0.05 0.00 0.13 0.00 0.00 42.46 41.44 1s4f s ILE 155 CO 0.16 0.00 0.11 0.68 -1.91 0.00 0.00 174.94 173.97 1s4f s VAL 156 N 1.92 0.52 0.60 4.00 -7.23 -0.63 -4.91 120.40 114.68 1s4f s VAL 156 Ca -0.09 -2.00 -0.03 0.00 -1.81 0.00 0.00 61.98 58.04 1s4f s VAL 156 Cb -0.07 -2.61 0.03 0.00 0.56 0.00 0.00 36.38 34.29 1s4f s VAL 156 CO -0.20 0.00 0.87 -0.13 -0.31 0.00 0.00 175.10 175.34 1s4f s ARG 157 N -3.99 2.62 -0.16 4.82 0.52 -1.26 0.13 118.95 121.63 1s4f s ARG 157 Ca 0.37 -0.34 -0.08 0.00 -0.52 0.00 0.00 55.73 55.16 1s4f s ARG 157 Cb 0.07 -2.33 -0.04 0.00 0.52 0.00 0.00 34.95 33.17 1s4f s ARG 157 CO 0.14 -0.81 0.10 0.00 0.02 0.00 0.00 175.30 174.75 1s4f s ALA 158 N -2.95 3.64 0.03 2.13 0.00 -0.75 -2.04 121.76 121.81 1s4f s ALA 158 Ca 0.56 -0.70 -0.30 0.00 0.00 0.00 0.00 51.96 51.52 1s4f s ALA 158 Cb -0.10 -1.98 -0.09 0.00 0.00 0.00 0.00 23.12 20.95 1s4f s ALA 158 CO 0.42 0.35 1.97 1.04 0.00 0.00 0.00 175.76 179.55 1s4f n GLN 159 N 2.91 2.82 0.00 0.00 6.02 -0.23 -4.78 117.38 124.11 1s4f n GLN 159 Ca -0.18 1.03 0.08 0.00 -0.01 0.00 0.00 57.00 57.93 1s4f n GLN 159 Cb 0.53 -2.99 -0.00 0.00 1.02 0.00 0.00 30.24 28.80 1s4f n GLN 159 CO 0.00 0.00 0.00 2.41 -1.01 0.00 0.00 177.06 178.46 1s4f n THR 160 N 5.53 0.00 -1.99 5.09 -1.04 -1.26 -3.63 114.28 116.98 1s4f n THR 160 Ca 0.20 -0.32 -0.39 0.00 -2.04 0.00 0.00 64.05 61.50 1s4f n THR 160 Cb 0.40 1.20 0.01 0.00 -1.82 0.00 0.00 70.33 70.12 1s4f n THR 160 CO 0.00 0.00 0.00 1.51 -0.64 0.00 0.00 175.07 175.94 1s4f s ASP 161 N -1.99 6.01 0.23 8.00 1.47 -1.26 -4.81 116.67 124.33 1s4f s ASP 161 Ca 0.14 2.66 -0.08 0.00 1.18 0.00 0.00 52.55 56.45 1s4f s ASP 161 Cb 0.14 -2.63 0.39 0.00 -0.34 0.00 0.00 42.92 40.47 1s4f s ASP 161 CO 0.43 -1.05 1.66 0.74 0.68 0.00 0.00 175.17 177.63 1s4f h THR 162 N 2.14 0.47 -0.61 2.11 2.02 -1.97 -0.85 112.91 116.22 1s4f h THR 162 Ca -0.50 -0.06 0.05 0.00 0.77 0.00 0.00 66.41 66.68 1s4f h THR 162 Cb 1.26 0.29 -0.07 0.00 -1.74 0.00 0.00 68.15 67.88 1s4f h THR 162 CO 0.61 0.03 -0.36 1.17 0.37 0.00 0.00 175.52 177.34 1s4f n LYS 163 N -5.25 -0.27 0.00 6.66 3.00 -1.26 -0.71 118.16 120.33 1s4f n LYS 163 Ca 0.12 1.17 0.12 0.00 -0.00 0.00 0.00 58.31 59.72 1s4f n LYS 163 Cb 0.42 -1.73 0.32 0.00 0.00 0.00 0.00 35.03 34.05 1s4f n LYS 163 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.40 177.65 1s4f n THR 164 N -4.42 0.00 -0.06 3.15 -2.24 -1.03 -2.99 114.28 106.68 1s4f n THR 164 Ca 0.01 -0.00 -0.14 0.00 -2.27 0.00 0.00 64.05 61.65 1s4f n THR 164 Cb 0.16 0.11 -0.06 0.00 -2.10 0.00 0.00 70.33 68.44 1s4f n THR 164 CO 0.00 0.00 0.00 0.15 -0.57 0.00 0.00 175.07 174.65 1s4f h PHE 165 N 0.04 0.69 -0.21 4.78 3.57 0.43 -0.88 116.94 125.36 1s4f h PHE 165 Ca 0.00 -0.24 -0.12 0.00 3.53 0.00 0.00 57.97 61.15 1s4f h PHE 165 Cb 0.50 -0.13 -0.01 0.00 2.79 0.00 0.00 35.95 39.09 1s4f h PHE 165 CO 0.00 0.96 -0.37 0.45 -2.23 0.00 0.00 178.31 177.12 1s4f h HIS 166 N 0.23 0.55 0.07 0.41 3.86 -0.99 -2.42 115.15 116.86 1s4f h HIS 166 Ca 0.02 -0.15 0.02 0.00 -1.16 0.00 0.00 60.37 59.10 1s4f h HIS 166 Cb 0.89 -0.12 -0.04 0.00 1.06 0.00 0.00 27.41 29.20 1s4f h HIS 166 CO 0.09 0.78 -0.29 0.93 0.86 0.00 0.00 177.93 180.29 1s4f h GLU 167 N 0.40 -0.46 -0.21 2.45 5.08 -1.41 -0.92 114.58 119.50 1s4f h GLU 167 Ca 0.04 0.03 0.04 0.00 -1.00 0.00 0.00 59.36 58.47 1s4f h GLU 167 Cb 0.83 0.11 -0.07 0.00 0.50 0.00 0.00 28.75 30.11 1s4f h GLU 167 CO 0.07 -0.31 -0.52 0.00 -1.00 0.00 0.00 179.01 177.25 1s4f h ALA 168 N 0.24 -0.78 -0.96 3.43 0.00 -0.86 0.20 119.26 120.53 1s4f h ALA 168 Ca 0.04 -0.03 0.24 0.00 0.00 0.00 0.00 54.91 55.16 1s4f h ALA 168 Cb 0.53 0.98 -0.12 0.00 0.00 0.00 0.00 17.79 19.18 1s4f h ALA 168 CO -0.20 -1.04 0.51 0.82 0.00 0.00 0.00 179.25 179.35 1s4f h ILE 169 N -0.51 0.51 -0.19 0.00 2.04 -0.96 -0.40 117.51 118.00 1s4f h ILE 169 Ca 0.06 -0.17 -0.18 0.00 1.00 0.00 0.00 64.86 65.57 1s4f h ILE 169 Cb 0.65 -0.04 0.01 0.00 -0.74 0.00 0.00 36.82 36.70 1s4f h ILE 169 CO -0.47 0.09 -0.58 0.03 0.00 0.00 0.00 178.15 177.22 1s4f h ARG 170 N 0.50 0.73 0.00 2.37 3.08 0.24 -0.19 114.38 121.11 1s4f h ARG 170 Ca 0.61 -0.53 -0.00 0.00 0.07 0.00 0.00 59.98 60.13 1s4f h ARG 170 Cb 1.17 0.09 -0.00 0.00 0.08 0.00 0.00 29.97 31.31 1s4f h ARG 170 CO -0.50 1.15 -0.01 -0.44 -1.07 0.00 0.00 179.97 179.10 1s4f h ASP 171 N 0.45 0.00 0.00 7.04 3.45 0.95 -3.33 116.42 124.97 1s4f h ASP 171 Ca -0.02 0.00 0.00 0.00 0.43 0.00 0.00 57.03 57.44 1s4f h ASP 171 Cb 1.20 0.00 0.00 0.00 -0.56 0.00 0.00 39.33 39.97 1s4f h ASP 171 CO 0.12 0.01 -0.44 0.29 -1.57 0.00 0.00 179.24 177.66 1s4f n LYS 172 N -3.11 0.43 -0.01 3.56 5.02 -0.61 -4.92 118.16 118.51 1s4f n LYS 172 Ca 0.00 0.00 -0.07 0.00 -2.02 0.00 0.00 58.31 56.22 1s4f n LYS 172 Cb 0.29 -0.72 -0.13 0.00 -0.02 0.00 0.00 35.03 34.45 1s4f n LYS 172 CO 0.00 0.00 0.00 -0.89 -0.52 0.00 0.00 177.40 175.99 1s4f n ILE 173 N -1.75 1.53 -2.01 -0.18 5.41 -0.21 -4.63 119.36 117.52 1s4f n ILE 173 Ca 0.00 -0.78 -0.33 0.00 1.00 0.00 0.00 62.75 62.64 1s4f n ILE 173 Cb 0.22 -0.98 -0.05 0.00 -0.71 0.00 0.00 39.64 38.12 1s4f n ILE 173 CO 0.00 0.00 0.00 -0.67 0.00 0.00 0.00 176.55 175.88 1s4f n ASP 174 N -3.01 3.36 -3.99 4.38 4.64 -0.46 -4.86 116.55 116.59 1s4f n ASP 174 Ca -0.16 -2.74 -0.09 0.00 -1.38 0.00 0.00 54.79 50.42 1s4f n ASP 174 Cb 1.02 -1.65 -0.08 0.00 -1.04 0.00 0.00 41.12 39.36 1s4f n ASP 174 CO 0.00 0.00 0.00 -1.59 -0.82 0.00 0.00 177.20 174.79 1s4f s LYS 175 N 5.75 0.92 0.41 -0.67 -2.85 -1.26 -4.95 119.74 117.08 1s4f s LYS 175 Ca 0.64 -1.18 -0.07 0.00 -1.00 0.00 0.00 55.97 54.36 1s4f s LYS 175 Cb 0.03 0.31 -0.05 0.00 -2.06 0.00 0.00 37.83 36.06 1s4f s LYS 175 CO 0.12 -0.29 0.73 -1.54 0.10 0.00 0.00 175.35 174.47 1s4f s SER 176 N -2.95 6.40 0.29 0.03 1.04 -1.26 -4.83 113.70 112.42 1s4f s SER 176 Ca 0.13 0.95 -0.30 0.00 0.48 0.00 0.00 55.95 57.22 1s4f s SER 176 Cb 0.05 -2.25 -0.10 0.00 0.10 0.00 0.00 66.02 63.82 1s4f s SER 176 CO -0.05 -0.42 1.46 -1.61 0.98 0.00 0.00 173.24 173.60 1s4f s GLU 177 N -4.14 4.23 0.65 4.02 2.02 -1.26 -4.94 118.70 119.27 1s4f s GLU 177 Ca 0.48 2.38 -0.18 0.00 0.02 0.00 0.00 54.97 57.68 1s4f s GLU 177 Cb -0.10 -3.07 -0.01 0.00 0.10 0.00 0.00 34.13 31.05 1s4f s GLU 177 CO 0.36 -0.44 1.24 -0.80 0.02 0.00 0.00 175.26 175.64 1s4f s ASN 178 N 0.18 4.74 0.14 -0.19 0.01 -1.26 -4.97 114.94 113.58 1s4f s ASN 178 Ca 0.58 2.46 -0.29 0.00 -0.71 0.00 0.00 52.86 54.90 1s4f s ASN 178 Cb -0.43 -2.60 -0.07 0.00 0.41 0.00 0.00 41.25 38.56 1s4f s ASN 178 CO 0.49 -1.91 0.91 -0.60 -1.51 0.00 0.00 177.10 174.48 1s4f s ARG 179 N -3.50 4.70 -0.06 -0.60 3.52 -1.26 -4.96 118.95 116.78 1s4f s ARG 179 Ca 0.78 1.38 0.01 0.00 -0.13 0.00 0.00 55.73 57.77 1s4f s ARG 179 Cb -0.32 -3.34 0.02 0.00 -1.56 0.00 0.00 34.95 29.74 1s4f s ARG 179 CO 0.38 0.33 -0.06 -0.65 -0.81 0.00 0.00 175.30 174.49 1s4f s GLN 180 N -0.38 1.08 0.08 5.12 -0.21 -1.26 -4.11 119.66 119.98 1s4f s GLN 180 Ca 0.43 -0.18 -0.37 0.00 0.02 0.00 0.00 55.36 55.27 1s4f s GLN 180 Cb -0.23 -1.05 -0.17 0.00 1.00 0.00 0.00 33.01 32.56 1s4f s GLN 180 CO 0.29 -0.09 1.31 0.27 -2.12 0.00 0.00 175.29 174.95 1s4f n ASN 181 N 4.15 1.45 -0.36 5.90 6.94 -1.07 -4.83 115.26 127.43 1s4f n ASN 181 Ca -0.22 1.12 -0.04 0.00 -0.02 0.00 0.00 54.58 55.43 1s4f n ASN 181 Cb 0.51 -1.16 0.01 0.00 -2.36 0.00 0.00 39.78 36.77 1s4f n ASN 181 CO 0.00 0.00 0.00 -0.65 -1.03 0.00 0.00 177.26 175.58 1s4f h PRO 182 N 4.36 -0.03 -0.88 -0.53 0.11 -1.99 0.14 132.00 133.17 1s4f h PRO 182 Ca -0.48 0.00 0.21 0.00 0.11 0.00 0.00 66.00 65.84 1s4f h PRO 182 Cb 1.35 0.01 -0.12 0.00 0.11 0.00 0.00 31.00 32.34 1s4f h PRO 182 CO 0.76 -0.02 0.38 1.05 -0.21 0.00 0.00 178.00 179.95 1s4f h GLU 183 N -0.03 0.39 0.00 1.05 4.11 -2.03 -3.34 114.58 114.73 1s4f h GLU 183 Ca 0.29 -0.02 0.00 0.00 0.07 0.00 0.00 59.36 59.70 1s4f h GLU 183 Cb 0.56 -0.09 0.00 0.00 0.50 0.00 0.00 28.75 29.72 1s4f h GLU 183 CO -0.93 0.26 0.00 -0.11 0.07 0.00 0.00 179.01 178.30 1s4f n LEU 184 N -5.04 0.00 0.34 3.06 0.00 0.03 -1.20 117.00 114.19 1s4f n LEU 184 Ca 0.21 0.32 0.19 0.00 0.00 0.00 0.00 56.01 56.73 1s4f n LEU 184 Cb 0.62 -0.12 1.00 0.00 0.00 0.00 0.00 43.42 44.92 1s4f n LEU 184 CO 0.13 -0.12 1.15 0.45 0.00 0.00 0.00 177.39 179.00 1s4f h HIS 185 N 0.00 0.00 0.16 1.96 3.86 -1.78 0.07 115.15 119.42 1s4f h HIS 185 Ca 0.00 0.00 -0.01 0.00 -1.16 0.00 0.00 60.37 59.20 1s4f h HIS 185 Cb 0.00 0.00 0.00 0.00 1.06 0.00 0.00 27.41 28.47 1s4f h HIS 185 CO -0.23 0.00 -0.07 -0.91 0.86 0.00 0.00 177.93 177.57 1s4f h ASN 186 N 0.00 -0.18 -0.66 2.45 2.35 -1.39 -2.53 115.58 115.62 1s4f h ASN 186 Ca 0.00 -0.07 0.18 0.00 -0.55 0.00 0.00 56.30 55.86 1s4f h ASN 186 Cb 0.37 0.05 -0.03 0.00 0.05 0.00 0.00 38.32 38.76 1s4f h ASN 186 CO 0.00 0.33 0.47 0.11 -1.65 0.00 0.00 177.43 176.68 1s4f h LYS 187 N -1.04 0.05 -0.12 0.81 1.57 -0.99 0.33 116.57 117.18 1s4f h LYS 187 Ca -0.02 -0.00 -0.10 0.00 -1.87 0.00 0.00 60.65 58.66 1s4f h LYS 187 Cb 0.24 -0.01 0.00 0.00 0.08 0.00 0.00 32.23 32.54 1s4f h LYS 187 CO 0.04 0.03 -0.30 -0.07 -0.57 0.00 0.00 179.45 178.58 1s4f h LEU 188 N 0.05 0.47 -0.37 2.94 3.38 -1.09 -0.84 115.31 119.85 1s4f h LEU 188 Ca 0.31 -0.58 0.04 0.00 0.09 0.00 0.00 57.88 57.74 1s4f h LEU 188 Cb 1.18 -0.14 -0.04 0.00 0.09 0.00 0.00 40.66 41.75 1s4f h LEU 188 CO -0.02 0.97 0.14 0.25 0.09 0.00 0.00 178.44 179.87 1s4f h LEU 189 N -0.00 0.16 -0.08 1.67 6.46 -0.41 0.21 115.31 123.33 1s4f h LEU 189 Ca -0.00 0.04 0.04 0.00 -0.12 0.00 0.00 57.88 57.83 1s4f h LEU 189 Cb 0.91 0.02 -0.06 0.00 -0.73 0.00 0.00 40.66 40.79 1s4f h LEU 189 CO 0.07 0.13 -0.34 -0.08 -0.62 0.00 0.00 178.44 177.60 1s4f h GLU 190 N 0.30 -0.43 -0.73 1.25 4.81 -0.39 -0.58 114.58 118.80 1s4f h GLU 190 Ca 0.16 0.03 0.03 0.00 -0.13 0.00 0.00 59.36 59.46 1s4f h GLU 190 Cb 0.13 0.10 -0.05 0.00 0.63 0.00 0.00 28.75 29.56 1s4f h GLU 190 CO -0.16 -0.29 0.46 0.82 -0.73 0.00 0.00 179.01 179.12 1s4f h ILE 191 N -0.45 1.09 -0.66 2.32 2.04 -0.52 -1.26 117.51 120.08 1s4f h ILE 191 Ca 0.08 -0.31 0.09 0.00 1.00 0.00 0.00 64.86 65.72 1s4f h ILE 191 Cb 0.57 0.12 -0.07 0.00 -0.74 0.00 0.00 36.82 36.70 1s4f h ILE 191 CO -0.32 0.16 0.30 0.15 0.00 0.00 0.00 178.15 178.43 1s4f h PHE 192 N 0.90 0.52 -0.98 1.37 3.57 0.20 0.12 116.94 122.64 1s4f h PHE 192 Ca 0.30 0.03 0.11 0.00 3.53 0.00 0.00 57.97 61.93 1s4f h PHE 192 Cb 0.03 -0.14 -0.08 0.00 2.79 0.00 0.00 35.95 38.55 1s4f h PHE 192 CO -0.04 0.17 0.61 0.45 -2.23 0.00 0.00 178.31 177.28 1s4f h HIS 193 N 0.51 1.12 0.00 0.41 3.86 0.05 0.25 115.15 121.35 1s4f h HIS 193 Ca 0.33 0.03 0.00 0.00 -1.16 0.00 0.00 60.37 59.57 1s4f h HIS 193 Cb 0.36 -0.36 0.00 0.00 1.06 0.00 0.00 27.41 28.48 1s4f h HIS 193 CO -0.13 0.47 0.00 0.25 0.86 0.00 0.00 177.93 179.38 1s4f n THR 194 N -4.61 1.20 -0.12 2.45 -2.24 0.39 -2.24 114.28 109.11 1s4f n THR 194 Ca 0.18 0.30 0.00 0.00 -2.27 0.00 0.00 64.05 62.26 1s4f n THR 194 Cb 0.31 -1.10 0.00 0.00 -2.10 0.00 0.00 70.33 67.44 1s4f n THR 194 CO 0.00 0.00 0.00 2.30 -0.57 0.00 0.00 175.07 176.80 1s4f n ILE 195 N -1.50 0.44 -2.41 2.28 -5.35 0.45 -4.94 119.36 108.32 1s4f n ILE 195 Ca 0.03 -0.66 -0.35 0.00 -0.27 0.00 0.00 62.75 61.50 1s4f n ILE 195 Cb 0.14 0.84 -0.02 0.00 -1.74 0.00 0.00 39.64 38.86 1s4f n ILE 195 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 1s4f s ALA 196 N -0.44 2.84 -0.45 -1.28 0.00 0.59 -4.93 121.76 118.09 1s4f s ALA 196 Ca 0.00 0.73 -0.10 0.00 0.00 0.00 0.00 51.96 52.59 1s4f s ALA 196 Cb 0.00 -3.31 0.10 0.00 0.00 0.00 0.00 23.12 19.91 1s4f s ALA 196 CO 0.00 -0.50 0.31 -0.65 0.00 0.00 0.00 175.76 174.92 1s4f s GLN 197 N -3.12 2.58 0.61 0.00 -0.21 -1.26 -4.94 119.66 113.32 1s4f s GLN 197 Ca 0.68 -1.60 0.40 0.00 0.02 0.00 0.00 55.36 54.86 1s4f s GLN 197 Cb -0.21 -3.88 1.96 0.00 1.00 0.00 0.00 33.01 31.88 1s4f s GLN 197 CO 0.25 -1.08 2.19 -1.35 -2.12 0.00 0.00 175.29 173.18 1s4f h PRO 198 N 8.46 0.00 0.70 2.91 0.11 -1.96 -2.73 132.00 139.49 1s4f h PRO 198 Ca -0.23 0.00 -0.03 0.00 0.11 0.00 0.00 66.00 65.85 1s4f h PRO 198 Cb 1.08 0.00 0.01 0.00 0.11 0.00 0.00 31.00 32.20 1s4f h PRO 198 CO 0.82 0.00 -0.34 1.15 -0.21 0.00 0.00 178.00 179.42 1s4f h THR 199 N 0.00 0.30 0.00 -1.15 2.02 -2.03 -2.61 112.91 109.43 1s4f h THR 199 Ca 0.00 0.00 0.00 0.00 0.77 0.00 0.00 66.41 67.18 1s4f h THR 199 Cb 0.22 0.30 0.00 0.00 -1.74 0.00 0.00 68.15 66.93 1s4f h THR 199 CO 0.00 0.00 0.00 0.18 0.37 0.00 0.00 175.52 176.07 1s4f n LEU 200 N -5.50 0.00 -4.50 2.58 4.77 -1.04 -4.86 117.00 108.44 1s4f n LEU 200 Ca -0.14 0.08 -0.39 0.00 -0.03 0.00 0.00 56.01 55.53 1s4f n LEU 200 Cb 0.39 -0.08 0.03 0.00 -2.33 0.00 0.00 43.42 41.42 1s4f n LEU 200 CO 0.38 -0.02 0.20 1.17 -1.33 0.00 0.00 177.39 177.79 1s4f n LYS 201 N -1.08 0.69 -1.21 3.23 4.81 -0.99 -2.25 118.16 121.36 1s4f n LYS 201 Ca 0.16 0.26 0.00 0.00 -0.87 0.00 0.00 58.31 57.86 1s4f n LYS 201 Cb 0.11 -1.76 0.00 0.00 0.02 0.00 0.00 35.03 33.40 1s4f n LYS 201 CO 0.00 0.00 0.00 0.72 1.17 0.00 0.00 177.40 179.29 1s4f n HIS 202 N -1.34 -1.04 0.81 5.64 8.25 -0.48 -4.71 115.22 122.34 1s4f n HIS 202 Ca 0.11 0.00 0.11 0.00 -0.26 0.00 0.00 57.72 57.68 1s4f n HIS 202 Cb 0.45 -0.78 -0.04 0.00 1.12 0.00 0.00 29.99 30.73 1s4f n HIS 202 CO 0.00 0.00 0.00 0.25 0.64 0.00 0.00 176.34 177.23 1s4f n THR 203 N -1.18 0.03 -2.45 1.59 -2.24 -0.95 -3.79 114.28 105.29 1s4f n THR 203 Ca 0.00 -0.10 -0.42 0.00 -2.27 0.00 0.00 64.05 61.27 1s4f n THR 203 Cb 0.13 0.63 -0.03 0.00 -2.10 0.00 0.00 70.33 68.96 1s4f n THR 203 CO 0.00 0.00 0.00 -0.31 -0.57 0.00 0.00 175.07 174.19 1s4f s TYR 204 N -3.09 3.49 0.34 4.78 2.02 0.14 -4.81 117.35 120.23 1s4f s TYR 204 Ca 0.06 1.43 -0.05 0.00 -0.37 0.00 0.00 57.07 58.14 1s4f s TYR 204 Cb 0.16 -3.37 0.01 0.00 -0.40 0.00 0.00 41.96 38.36 1s4f s TYR 204 CO 0.84 -1.01 0.52 0.20 -1.57 0.00 0.00 175.55 174.52 1s4f s GLY 205 N 0.51 1.30 1.02 0.71 0.00 -1.26 -0.40 107.32 109.19 1s4f s GLY 205 Ca 0.54 -1.39 -0.17 0.00 0.00 0.00 0.00 44.72 43.70 1s4f s GLY 205 CO 0.32 -0.89 -0.16 -2.21 0.00 0.00 0.00 173.10 170.16 1s4f n GLU 206 N -0.55 -1.50 -2.72 2.90 2.13 -1.25 -4.80 120.64 114.84 1s4f n GLU 206 Ca -0.00 -0.43 -0.07 0.00 0.66 0.00 0.00 57.16 57.32 1s4f n GLU 206 Cb 0.61 -1.44 -0.02 0.00 0.27 0.00 0.00 31.44 30.86 1s4f n GLU 206 CO 0.00 0.00 0.00 0.28 -0.41 0.00 0.00 177.13 177.00 1s4f n VAL 207 N -4.17 0.00 -3.86 6.31 0.31 -0.77 -4.94 118.33 111.21 1s4f n VAL 207 Ca 0.02 -0.77 -0.36 0.00 -0.01 0.00 0.00 64.34 63.22 1s4f n VAL 207 Cb 0.50 0.36 -0.06 0.00 -0.91 0.00 0.00 33.84 33.74 1s4f n VAL 207 CO 0.00 0.00 0.00 0.42 -1.32 0.00 0.00 176.83 175.93 1s4f s THR 208 N -2.33 5.45 0.59 2.52 -4.23 -1.26 -4.87 115.64 111.50 1s4f s THR 208 Ca 0.11 0.12 0.29 0.00 -1.18 0.00 0.00 61.69 61.03 1s4f s THR 208 Cb 0.01 -3.47 0.37 0.00 1.34 0.00 0.00 72.50 70.75 1s4f s THR 208 CO 0.08 0.51 1.99 -0.50 -0.54 0.00 0.00 174.62 176.16 1s4f h TRP 209 N 4.54 0.00 -0.32 3.99 4.06 -1.98 0.42 115.95 126.66 1s4f h TRP 209 Ca -0.53 0.00 -0.16 0.00 2.06 0.00 0.00 58.89 60.27 1s4f h TRP 209 Cb 1.21 0.00 -0.01 0.00 -1.00 0.00 0.00 29.16 29.37 1s4f h TRP 209 CO 0.72 0.00 -0.42 0.93 -3.56 0.00 0.00 178.44 176.11 1s4f h GLU 210 N 0.00 0.81 0.00 0.49 3.07 -2.00 -2.65 114.58 114.29 1s4f h GLU 210 Ca 0.15 -0.44 0.00 0.00 -0.50 0.00 0.00 59.36 58.57 1s4f h GLU 210 Cb 0.86 0.02 0.00 0.00 -0.84 0.00 0.00 28.75 28.79 1s4f h GLU 210 CO -0.00 1.07 -1.21 0.94 -1.40 0.00 0.00 179.01 178.41 1s4f n GLN 211 N -4.03 0.20 0.04 2.33 7.27 0.11 -4.19 117.38 119.11 1s4f n GLN 211 Ca -0.02 -0.05 -0.20 0.00 0.07 0.00 0.00 57.00 56.80 1s4f n GLN 211 Cb 0.55 -1.52 -0.13 0.00 2.41 0.00 0.00 30.24 31.56 1s4f n GLN 211 CO 0.00 0.00 0.00 1.25 0.07 0.00 0.00 177.06 178.38 1s4f h LEU 212 N 0.00 0.62 -2.45 1.69 5.85 -0.56 -3.31 115.31 117.15 1s4f h LEU 212 Ca 0.00 -0.83 -0.00 0.00 0.84 0.00 0.00 57.88 57.88 1s4f h LEU 212 Cb 0.66 -0.20 -0.00 0.00 0.37 0.00 0.00 40.66 41.49 1s4f h LEU 212 CO 0.00 1.39 -0.02 -0.33 -0.34 0.00 0.00 178.44 179.14 1s4f h GLU 213 N -0.06 0.00 -6.15 1.25 5.08 -1.64 -3.39 114.58 109.67 1s4f h GLU 213 Ca -0.13 0.00 -0.68 0.00 -1.00 0.00 0.00 59.36 57.55 1s4f h GLU 213 Cb 1.59 0.00 0.01 0.00 0.50 0.00 0.00 28.75 30.85 1s4f h GLU 213 CO 0.16 0.02 1.10 0.00 -1.00 0.00 0.00 179.01 179.29 1s4f n ALA 214 N -2.27 0.48 0.00 3.43 0.00 -1.25 -1.92 120.51 118.99 1s4f n ALA 214 Ca -0.03 0.24 0.00 0.00 0.00 0.00 0.00 53.44 53.66 1s4f n ALA 214 Cb 0.11 -2.40 0.00 0.00 0.00 0.00 0.00 19.45 17.16 1s4f n ALA 214 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1s4f n GLY 215 N 4.84 1.49 3.64 0.00 0.00 -1.26 -4.93 105.19 108.97 1s4f n GLY 215 Ca 0.29 0.00 -0.59 0.00 0.00 0.00 0.00 46.02 45.71 1s4f n GLY 215 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 1s4f n VAL 216 N -1.76 0.08 -2.10 1.61 0.24 -0.81 -4.73 118.33 110.86 1s4f n VAL 216 Ca 0.00 -0.02 -0.30 0.00 -2.04 0.00 0.00 64.34 61.98 1s4f n VAL 216 Cb 0.00 -0.66 -0.05 0.00 -1.47 0.00 0.00 33.84 31.67 1s4f n VAL 216 CO 0.00 0.00 0.00 0.21 -2.14 0.00 0.00 176.83 174.90 1s4f s ASN 217 N 1.86 5.31 0.60 -1.34 2.47 -1.26 -4.79 114.94 117.79 1s4f s ASN 217 Ca 0.95 -0.59 0.29 0.00 0.42 0.00 0.00 52.86 53.92 1s4f s ASN 217 Cb -1.20 -2.56 1.25 0.00 -1.45 0.00 0.00 41.25 37.30 1s4f s ASN 217 CO 0.63 -2.56 1.63 0.03 -3.72 0.00 0.00 177.10 173.12 1s4f h ARG 218 N 11.67 0.00 -2.16 0.43 3.08 -1.85 -2.00 114.38 123.55 1s4f h ARG 218 Ca 0.05 0.00 -0.47 0.00 0.07 0.00 0.00 59.98 59.62 1s4f h ARG 218 Cb 1.03 0.00 -0.13 0.00 0.08 0.00 0.00 29.97 30.95 1s4f h ARG 218 CO 1.23 0.00 0.75 1.63 -1.07 0.00 0.00 179.97 182.51 1s4f n LYS 219 N -3.51 2.74 -3.59 0.04 5.02 -1.26 -3.57 118.16 114.03 1s4f n LYS 219 Ca 0.16 -2.19 -0.36 0.00 -2.02 0.00 0.00 58.31 53.90 1s4f n LYS 219 Cb 1.10 -2.23 -0.08 0.00 -0.02 0.00 0.00 35.03 33.80 1s4f n LYS 219 CO 0.00 0.00 0.00 0.20 -0.52 0.00 0.00 177.40 177.08 1s4f s GLY 220 N 0.87 2.07 0.50 0.72 0.00 -0.75 -4.98 107.32 105.75 1s4f s GLY 220 Ca 0.61 -0.67 -0.13 0.00 0.00 0.00 0.00 44.72 44.52 1s4f s GLY 220 CO -0.14 0.44 -0.26 0.00 0.00 0.00 0.00 173.10 173.13 1s4f n ALA 221 N 4.00 -3.37 0.46 3.20 0.00 -1.26 -2.58 120.51 120.95 1s4f n ALA 221 Ca -0.13 -0.19 0.10 0.00 0.00 0.00 0.00 53.44 53.22 1s4f n ALA 221 Cb 0.52 -1.00 -0.14 0.00 0.00 0.00 0.00 19.45 18.83 1s4f n ALA 221 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1s4f n ALA 222 N -1.38 3.68 0.00 0.00 0.00 -1.26 -4.21 120.51 117.34 1s4f n ALA 222 Ca 0.04 -0.53 0.00 0.00 0.00 0.00 0.00 53.44 52.94 1s4f n ALA 222 Cb 0.38 -0.72 0.00 0.00 0.00 0.00 0.00 19.45 19.10 1s4f n ALA 222 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1s4f n GLY 223 N 1.40 -1.41 0.00 0.00 0.00 -1.26 -4.07 105.19 99.84 1s4f n GLY 223 Ca -0.00 -1.34 0.00 0.00 0.00 0.00 0.00 46.02 44.68 1s4f n GLY 223 CO 0.00 0.00 0.00 0.33 0.00 0.00 0.00 173.32 173.65 1s4f n PHE 224 N -0.24 0.00 0.22 1.61 7.35 -1.26 -1.51 117.46 123.63 1s4f n PHE 224 Ca 0.00 0.00 0.00 0.00 -0.76 0.00 0.00 57.45 56.69 1s4f n PHE 224 Cb 0.00 0.00 0.00 0.00 0.35 0.00 0.00 39.48 39.83 1s4f n PHE 224 CO 0.00 0.00 0.00 1.28 -0.76 0.00 0.00 176.76 177.28 1s4f n LEU 225 N -0.47 0.17 -4.23 -2.13 4.77 -1.26 -4.73 117.00 109.12 1s4f n LEU 225 Ca 0.00 -0.09 -0.33 0.00 -0.03 0.00 0.00 56.01 55.57 1s4f n LEU 225 Cb 0.00 -0.09 -0.16 0.00 -2.33 0.00 0.00 43.42 40.84 1s4f n LEU 225 CO 0.00 0.04 -0.51 -0.70 -1.33 0.00 0.00 177.39 174.89 1s4f s GLU 226 N -1.12 3.13 0.00 3.23 2.12 -0.57 -5.05 118.70 120.44 1s4f s GLU 226 Ca 0.00 -0.80 0.00 0.00 0.36 0.00 0.00 54.97 54.53 1s4f s GLU 226 Cb 0.00 -2.52 0.00 0.00 0.26 0.00 0.00 34.13 31.87 1s4f s GLU 226 CO 0.00 0.03 0.67 0.36 -0.54 0.00 0.00 175.26 175.77 1s4f n LYS 227 N 3.99 0.00 -2.21 4.30 -0.00 -1.26 -4.60 118.16 118.38 1s4f n LYS 227 Ca -0.19 0.29 -0.27 0.00 -0.00 0.00 0.00 58.31 58.13 1s4f n LYS 227 Cb 0.52 -1.17 0.04 0.00 -0.00 0.00 0.00 35.03 34.42 1s4f n LYS 227 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.40 177.55 1s4f s LYS 228 N -1.67 2.74 0.00 -1.58 1.02 -1.26 -4.95 119.74 114.04 1s4f s LYS 228 Ca 0.00 0.08 0.00 0.00 0.02 0.00 0.00 55.97 56.07 1s4f s LYS 228 Cb 0.00 -2.17 0.00 0.00 -0.52 0.00 0.00 37.83 35.14 1s4f s LYS 228 CO 0.00 -0.92 0.00 0.27 -0.92 0.00 0.00 175.35 173.78 1s4f n ASN 229 N -2.78 1.63 -4.73 2.83 2.04 -1.26 -4.59 115.26 108.39 1s4f n ASN 229 Ca 0.06 -0.99 -0.36 0.00 -0.44 0.00 0.00 54.58 52.85 1s4f n ASN 229 Cb 0.58 0.00 0.07 0.00 -2.53 0.00 0.00 39.78 37.90 1s4f n ASN 229 CO 0.00 0.00 0.00 -0.63 -0.44 0.00 0.00 177.26 176.19 1s4f s ILE 230 N -0.61 2.17 0.00 1.53 -1.09 -1.07 0.12 121.20 122.25 1s4f s ILE 230 Ca 0.00 0.10 0.00 0.00 -2.23 0.00 0.00 60.65 58.52 1s4f s ILE 230 Cb 0.00 -2.98 0.00 0.00 -1.58 0.00 0.00 42.46 37.90 1s4f s ILE 230 CO 0.00 -0.03 0.00 0.61 -1.23 0.00 0.00 174.94 174.29 1s4f n GLY 231 N 0.76 1.84 0.06 6.18 0.00 -1.25 -4.42 105.19 108.36 1s4f n GLY 231 Ca 0.15 -0.15 -0.12 0.00 0.00 0.00 0.00 46.02 45.89 1s4f n GLY 231 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 1s4f h GLU 232 N 0.00 -0.06 -0.88 1.61 5.08 -1.70 0.47 114.58 119.11 1s4f h GLU 232 Ca 0.00 0.00 -0.02 0.00 -1.00 0.00 0.00 59.36 58.34 1s4f h GLU 232 Cb 0.00 0.01 -0.04 0.00 0.50 0.00 0.00 28.75 29.22 1s4f h GLU 232 CO 0.00 -0.04 0.47 0.28 -1.00 0.00 0.00 179.01 178.72 1s4f h VAL 233 N -0.07 1.26 0.03 3.13 2.07 0.66 -0.76 116.25 122.57 1s4f h VAL 233 Ca -0.01 -0.65 0.01 0.00 0.82 0.00 0.00 66.70 66.87 1s4f h VAL 233 Cb 0.05 0.08 -0.01 0.00 -1.52 0.00 0.00 31.29 29.89 1s4f h VAL 233 CO 0.01 0.29 -0.06 -0.07 0.02 0.00 0.00 177.57 177.77 1s4f h LEU 234 N 1.23 -0.15 0.00 2.57 3.38 -1.63 -0.31 115.31 120.40 1s4f h LEU 234 Ca 0.31 0.02 0.00 0.00 0.09 0.00 0.00 57.88 58.30 1s4f h LEU 234 Cb 0.04 0.06 0.00 0.00 0.09 0.00 0.00 40.66 40.86 1s4f h LEU 234 CO -0.05 -0.09 0.00 0.47 0.09 0.00 0.00 178.44 178.87 1s4f n ASP 235 N -5.17 0.00 0.00 -0.43 8.00 0.16 -3.80 116.55 115.32 1s4f n ASP 235 Ca -0.07 0.68 0.00 0.00 0.71 0.00 0.00 54.79 56.11 1s4f n ASP 235 Cb 0.10 -0.18 0.00 0.00 -0.02 0.00 0.00 41.12 41.02 1s4f n ASP 235 CO 0.00 0.00 0.00 -1.20 -0.39 0.00 0.00 177.20 175.61 1s4f n SER 236 N -1.16 0.00 -0.42 -2.24 7.64 -0.35 -4.26 113.62 112.83 1s4f n SER 236 Ca 0.00 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.88 1s4f n SER 236 Cb 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.20 1s4f n SER 236 CO 0.00 0.00 0.00 -0.62 -3.01 0.00 0.00 175.04 171.41 1s4f n GLU 237 N 0.00 0.00 -0.15 1.43 1.02 -1.10 -4.07 120.64 117.78 1s4f n GLU 237 Ca 0.00 0.00 -0.04 0.00 -0.02 0.00 0.00 57.16 57.10 1s4f n GLU 237 Cb 0.00 -0.63 0.05 0.00 -0.02 0.00 0.00 31.44 30.85 1s4f n GLU 237 CO 0.00 0.00 0.00 -0.22 1.18 0.00 0.00 177.13 178.09 1s4f h LYS 238 N 0.09 0.27 -0.18 3.49 3.64 -1.15 -0.27 116.57 122.46 1s4f h LYS 238 Ca 0.00 -0.02 0.05 0.00 -1.27 0.00 0.00 60.65 59.42 1s4f h LYS 238 Cb 0.00 -0.06 -0.01 0.00 -0.41 0.00 0.00 32.23 31.75 1s4f h LYS 238 CO 0.00 0.18 0.15 0.45 -2.27 0.00 0.00 179.45 177.96 1s4f h HIS 239 N 0.28 0.00 -0.40 1.91 3.86 -1.88 -2.10 115.15 116.81 1s4f h HIS 239 Ca 0.22 0.00 -0.09 0.00 -1.16 0.00 0.00 60.37 59.34 1s4f h HIS 239 Cb 0.26 0.00 -0.01 0.00 1.06 0.00 0.00 27.41 28.72 1s4f h HIS 239 CO -0.19 0.00 -0.11 -0.07 0.86 0.00 0.00 177.93 178.42 1s4f h LEU 240 N 0.00 0.79 0.65 2.43 3.38 -1.37 -2.50 115.31 118.69 1s4f h LEU 240 Ca 0.08 -0.37 -0.03 0.00 0.09 0.00 0.00 57.88 57.66 1s4f h LEU 240 Cb 0.38 -0.22 -0.00 0.00 0.09 0.00 0.00 40.66 40.91 1s4f h LEU 240 CO -0.00 0.98 -0.38 0.58 0.09 0.00 0.00 178.44 179.71 1s4f h VAL 241 N 0.59 0.23 -0.89 1.22 2.07 -1.21 -0.93 116.25 117.32 1s4f h VAL 241 Ca 0.10 0.00 0.25 0.00 0.82 0.00 0.00 66.70 67.86 1s4f h VAL 241 Cb 0.64 0.23 -0.15 0.00 -1.52 0.00 0.00 31.29 30.49 1s4f h VAL 241 CO 0.04 0.00 0.21 -0.33 0.02 0.00 0.00 177.57 177.51 1s4f h GLU 242 N -0.96 0.16 -0.25 1.57 5.08 -1.51 0.72 114.58 119.38 1s4f h GLU 242 Ca -0.08 -0.01 -0.01 0.00 -1.00 0.00 0.00 59.36 58.26 1s4f h GLU 242 Cb 0.77 -0.04 -0.01 0.00 0.50 0.00 0.00 28.75 29.97 1s4f h GLU 242 CO 0.09 0.11 0.11 0.37 -1.00 0.00 0.00 179.01 178.69 1s4f h GLN 243 N 0.17 0.37 -0.81 2.33 5.75 -1.05 -1.37 115.11 120.49 1s4f h GLN 243 Ca 0.57 -0.06 0.08 0.00 -0.15 0.00 0.00 58.65 59.09 1s4f h GLN 243 Cb 1.16 -0.06 -0.05 0.00 1.07 0.00 0.00 27.48 29.60 1s4f h GLN 243 CO -0.70 0.39 0.53 1.25 -2.65 0.00 0.00 178.83 177.65 1s4f h LEU 244 N 0.26 0.73 0.51 -2.39 6.46 0.17 0.43 115.31 121.48 1s4f h LEU 244 Ca 0.08 0.01 -0.02 0.00 -0.12 0.00 0.00 57.88 57.83 1s4f h LEU 244 Cb 0.15 -0.14 0.00 0.00 -0.73 0.00 0.00 40.66 39.94 1s4f h LEU 244 CO -0.01 0.45 -0.24 0.58 -0.62 0.00 0.00 178.44 178.60 1s4f h VAL 245 N 0.82 0.50 -0.17 1.05 2.07 -0.17 0.45 116.25 120.81 1s4f h VAL 245 Ca 0.36 -0.03 0.03 0.00 0.82 0.00 0.00 66.70 67.88 1s4f h VAL 245 Cb 0.34 0.52 -0.01 0.00 -1.52 0.00 0.00 31.29 30.61 1s4f h VAL 245 CO -0.14 0.01 0.11 -0.09 0.02 0.00 0.00 177.57 177.48 1s4f h ARG 246 N -0.70 0.09 -0.07 1.57 2.43 -0.13 0.19 114.38 117.76 1s4f h ARG 246 Ca -0.07 -0.01 -0.06 0.00 -0.81 0.00 0.00 59.98 59.04 1s4f h ARG 246 Cb 0.53 -0.02 0.00 0.00 -0.42 0.00 0.00 29.97 30.06 1s4f h ARG 246 CO 0.11 0.06 -0.18 -0.44 -1.51 0.00 0.00 179.97 178.01 1s4f h ASP 247 N 0.09 0.28 -0.52 -3.80 3.45 0.60 -2.10 116.42 114.42 1s4f h ASP 247 Ca 0.07 -0.59 -0.11 0.00 0.43 0.00 0.00 57.03 56.83 1s4f h ASP 247 Cb 0.18 -0.08 -0.02 0.00 -0.56 0.00 0.00 39.33 38.85 1s4f h ASP 247 CO -0.01 0.83 -0.10 -0.07 -1.57 0.00 0.00 179.24 178.32 1s4f h LEU 248 N -0.25 0.99 -0.40 1.55 -0.00 0.54 -0.88 115.31 116.86 1s4f h LEU 248 Ca -0.00 -0.35 0.00 0.00 -0.00 0.00 0.00 57.88 57.53 1s4f h LEU 248 Cb 0.79 -0.27 -0.02 0.00 -0.00 0.00 0.00 40.66 41.16 1s4f h LEU 248 CO 0.04 1.11 0.26 0.50 -0.00 0.00 0.00 178.44 180.35 1s4f h LYS 249 N 0.86 0.54 -0.08 1.13 3.64 -0.69 -1.51 116.57 120.45 1s4f h LYS 249 Ca 0.14 -0.04 -0.05 0.00 -1.27 0.00 0.00 60.65 59.43 1s4f h LYS 249 Cb 0.66 -0.12 -0.01 0.00 -0.41 0.00 0.00 32.23 32.35 1s4f h LYS 249 CO 0.05 0.36 -0.20 0.00 -2.27 0.00 0.00 179.45 177.39 1s4f h ALA 250 N 1.14 1.52 0.00 5.00 0.00 -1.25 -3.28 119.26 122.38 1s4f h ALA 250 Ca 0.15 -0.23 0.00 0.00 0.00 0.00 0.00 54.91 54.83 1s4f h ALA 250 Cb -0.05 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 17.67 1s4f h ALA 250 CO -0.03 0.35 0.00 0.41 0.00 0.00 0.00 179.25 179.98 1s4f n GLY 251 N -0.80 0.62 3.87 0.00 0.00 -0.36 -4.98 105.19 103.54 1s4f n GLY 251 Ca -0.01 -0.61 -0.34 0.00 0.00 0.00 0.00 46.02 45.06 1s4f n GLY 251 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1s4f s ARG 252 N -1.15 3.34 0.00 1.61 0.52 -1.09 -5.02 118.95 117.17 1s4f s ARG 252 Ca 0.00 -0.34 0.00 0.00 -0.52 0.00 0.00 55.73 54.87 1s4f s ARG 252 Cb 0.00 -3.05 0.00 0.00 0.52 0.00 0.00 34.95 32.42 1s4f s ARG 252 CO 0.00 0.68 0.00 1.63 0.02 0.00 0.00 175.30 177.63 1s4f n LYS 253 N 1.15 0.00 -3.79 3.54 4.01 -1.26 -4.70 118.16 117.11 1s4f n LYS 253 Ca -0.13 0.00 -0.10 0.00 -0.51 0.00 0.00 58.31 57.57 1s4f n LYS 253 Cb 0.53 0.00 -0.07 0.00 -0.51 0.00 0.00 35.03 34.98 1s4f n LYS 253 CO 0.00 0.00 0.00 -1.50 -1.11 0.00 0.00 177.40 174.79 1s4f s ILE 254 N 0.00 0.11 -0.70 -0.18 -1.16 -1.26 -5.06 121.20 112.95 1s4f s ILE 254 Ca 0.00 -0.91 -0.15 0.00 -0.51 0.00 0.00 60.65 59.09 1s4f s ILE 254 Cb 0.00 -1.16 0.18 0.00 0.61 0.00 0.00 42.46 42.10 1s4f s ILE 254 CO 0.00 -0.50 0.65 -0.54 -2.81 0.00 0.00 174.94 171.74 1s4f s LYS 255 N -3.37 3.34 -0.02 3.50 1.02 -1.26 -5.05 119.74 117.90 1s4f s LYS 255 Ca 0.01 -2.14 -0.17 0.00 0.02 0.00 0.00 55.97 53.68 1s4f s LYS 255 Cb 0.02 -4.37 -0.05 0.00 -0.52 0.00 0.00 37.83 32.91 1s4f s LYS 255 CO -0.08 -1.31 0.48 -0.47 -0.92 0.00 0.00 175.35 173.05 1s4f s TYR 256 N 0.78 3.67 0.07 3.18 5.04 -1.26 -5.06 117.35 123.78 1s4f s TYR 256 Ca 0.11 1.04 -0.26 0.00 -2.44 0.00 0.00 57.07 55.52 1s4f s TYR 256 Cb -0.19 -2.45 0.08 0.00 0.35 0.00 0.00 41.96 39.76 1s4f s TYR 256 CO -0.04 0.45 0.83 1.52 -1.34 0.00 0.00 175.55 176.97 1s4f s TYR 257 N -0.45 -0.34 0.08 4.97 -0.85 -1.26 -4.36 117.35 115.14 1s4f s TYR 257 Ca 0.26 0.14 0.06 0.00 -0.52 0.00 0.00 57.07 57.02 1s4f s TYR 257 Cb -0.17 0.57 -0.03 0.00 0.38 0.00 0.00 41.96 42.71 1s4f s TYR 257 CO 0.14 -0.70 -0.16 -1.21 -1.52 0.00 0.00 175.55 172.10 1s4f s GLU 258 N -3.33 0.92 -0.17 -3.49 2.02 -0.79 -4.26 118.70 109.60 1s4f s GLU 258 Ca 0.06 -1.01 -0.08 0.00 0.02 0.00 0.00 54.97 53.96 1s4f s GLU 258 Cb -0.01 -1.01 -0.04 0.00 0.10 0.00 0.00 34.13 33.16 1s4f s GLU 258 CO -0.07 0.23 0.11 0.99 0.02 0.00 0.00 175.26 176.54 1s4f s THR 259 N -1.21 5.28 -0.22 3.63 2.01 0.21 -0.82 115.64 124.52 1s4f s THR 259 Ca 0.01 0.13 -0.03 0.00 0.31 0.00 0.00 61.69 62.12 1s4f s THR 259 Cb -0.10 -3.36 0.00 0.00 0.01 0.00 0.00 72.50 69.05 1s4f s THR 259 CO 0.03 0.51 -0.07 0.00 -0.69 0.00 0.00 174.62 174.39 1s4f s ALA 260 N -0.12 2.71 0.18 7.40 0.00 -0.36 -1.71 121.76 129.86 1s4f s ALA 260 Ca 0.09 -1.23 0.05 0.00 0.00 0.00 0.00 51.96 50.87 1s4f s ALA 260 Cb -0.12 -1.62 -0.05 0.00 0.00 0.00 0.00 23.12 21.34 1s4f s ALA 260 CO 0.00 -0.49 -0.08 0.96 0.00 0.00 0.00 175.76 176.15 1s4f s ILE 261 N 1.42 1.23 -0.24 0.00 -4.36 -0.82 -1.81 121.20 116.61 1s4f s ILE 261 Ca 0.05 -2.08 -0.15 0.00 -0.26 0.00 0.00 60.65 58.21 1s4f s ILE 261 Cb -0.14 -2.02 -0.04 0.00 1.25 0.00 0.00 42.46 41.51 1s4f s ILE 261 CO -0.05 -0.61 0.38 -2.16 0.24 0.00 0.00 174.94 172.74 1s4f s PRO 262 N -3.76 4.09 -0.02 0.37 0.04 -1.26 -0.80 135.00 133.66 1s4f s PRO 262 Ca 0.21 0.11 -0.30 0.00 0.04 0.00 0.00 61.00 61.05 1s4f s PRO 262 Cb 0.03 -3.59 -0.09 0.00 0.04 0.00 0.00 34.50 30.89 1s4f s PRO 262 CO 0.04 -0.15 2.01 1.17 0.04 0.00 0.00 177.00 180.11 1s4f n LYS 263 N 4.88 2.63 -2.73 4.56 4.81 0.14 -4.93 118.16 127.52 1s4f n LYS 263 Ca -0.09 0.94 -0.43 0.00 -0.87 0.00 0.00 58.31 57.86 1s4f n LYS 263 Cb 0.51 -3.00 -0.03 0.00 0.02 0.00 0.00 35.03 32.53 1s4f n LYS 263 CO 0.00 0.00 0.00 1.21 1.17 0.00 0.00 177.40 179.78 1s4f s ASN 264 N 5.05 6.40 0.22 3.14 2.47 -1.26 -4.52 114.94 126.45 1s4f s ASN 264 Ca 0.92 -0.11 -0.19 0.00 0.42 0.00 0.00 52.86 53.90 1s4f s ASN 264 Cb -0.46 -2.49 0.03 0.00 -1.45 0.00 0.00 41.25 36.89 1s4f s ASN 264 CO 0.42 -1.31 0.59 -1.83 -3.72 0.00 0.00 177.10 171.25 1s4f s GLU 265 N 4.34 1.50 0.25 0.43 -1.05 -1.26 -5.04 118.70 117.86 1s4f s GLU 265 Ca 0.36 -0.86 -0.10 0.00 -0.15 0.00 0.00 54.97 54.22 1s4f s GLU 265 Cb -0.10 0.56 -0.07 0.00 -0.44 0.00 0.00 34.13 34.07 1s4f s GLU 265 CO 0.23 -0.65 0.58 0.15 0.95 0.00 0.00 175.26 176.52 1s4f s LYS 266 N -3.88 3.83 0.03 -4.83 1.02 -1.26 -1.80 119.74 112.85 1s4f s LYS 266 Ca 0.09 0.34 0.02 0.00 0.02 0.00 0.00 55.97 56.44 1s4f s LYS 266 Cb -0.02 -2.61 -0.02 0.00 -0.52 0.00 0.00 37.83 34.66 1s4f s LYS 266 CO -0.01 0.28 -0.07 1.03 -0.92 0.00 0.00 175.35 175.66 1s4f s ARG 267 N -2.87 0.52 0.13 1.68 0.52 0.36 -4.93 118.95 114.35 1s4f s ARG 267 Ca 0.49 -0.59 -0.31 0.00 -0.52 0.00 0.00 55.73 54.80 1s4f s ARG 267 Cb -0.11 -0.37 -0.08 0.00 0.52 0.00 0.00 34.95 34.91 1s4f s ARG 267 CO 0.21 0.08 1.36 0.34 0.02 0.00 0.00 175.30 177.31 1s4f s ASP 268 N -1.12 6.86 -0.07 0.23 3.68 -1.26 -1.60 116.67 123.38 1s4f s ASP 268 Ca -0.06 2.31 0.14 0.00 2.13 0.00 0.00 52.55 57.08 1s4f s ASP 268 Cb -0.07 -2.59 0.29 0.00 -1.45 0.00 0.00 42.92 39.09 1s4f s ASP 268 CO 0.00 -0.61 1.13 1.33 0.13 0.00 0.00 175.17 177.15 1s4f n VAL 269 N 3.69 0.84 0.07 1.11 0.24 -1.13 -4.86 118.33 118.28 1s4f n VAL 269 Ca 0.10 -1.46 -0.13 0.00 -2.04 0.00 0.00 64.34 60.81 1s4f n VAL 269 Cb 0.43 0.36 -0.06 0.00 -1.47 0.00 0.00 33.84 33.10 1s4f n VAL 269 CO 0.00 0.00 0.00 -1.28 -2.14 0.00 0.00 176.83 173.41 1s4f h SER 270 N 0.54 -1.18 -0.39 -1.34 0.87 -1.91 0.41 113.55 110.56 1s4f h SER 270 Ca -0.07 0.14 0.06 0.00 -1.23 0.00 0.00 61.79 60.69 1s4f h SER 270 Cb 1.40 0.46 -0.05 0.00 -0.44 0.00 0.00 62.40 63.77 1s4f h SER 270 CO 0.03 -0.44 0.08 0.44 -0.53 0.00 0.00 176.83 176.41 1s4f h ASP 271 N -0.55 0.00 0.00 6.23 3.32 -1.96 0.36 116.42 123.83 1s4f h ASP 271 Ca 0.05 0.07 0.00 0.00 0.02 0.00 0.00 57.03 57.17 1s4f h ASP 271 Cb 0.63 0.09 0.00 0.00 0.22 0.00 0.00 39.33 40.27 1s4f h ASP 271 CO -0.30 0.04 0.00 0.47 -1.72 0.00 0.00 179.24 177.73 1s4f n ASP 272 N -5.10 0.00 0.20 6.45 8.00 -0.73 -1.57 116.55 123.79 1s4f n ASP 272 Ca 0.02 0.82 0.18 0.00 0.71 0.00 0.00 54.79 56.53 1s4f n ASP 272 Cb 0.18 -0.32 0.82 0.00 -0.02 0.00 0.00 41.12 41.78 1s4f n ASP 272 CO 0.00 0.00 0.00 -0.50 -0.39 0.00 0.00 177.20 176.31 1s4f h TRP 273 N 0.00 0.00 -0.63 1.24 4.06 -0.48 0.24 115.95 120.37 1s4f h TRP 273 Ca 0.00 0.00 0.08 0.00 2.06 0.00 0.00 58.89 61.03 1s4f h TRP 273 Cb 0.00 0.00 -0.06 0.00 -1.00 0.00 0.00 29.16 28.10 1s4f h TRP 273 CO -0.24 0.00 0.29 0.37 -3.56 0.00 0.00 178.44 175.30 1s4f h GLN 274 N 0.00 0.51 -6.53 0.49 5.75 0.76 -3.39 115.11 112.70 1s4f h GLN 274 Ca 0.10 -0.03 -0.47 0.00 -0.15 0.00 0.00 58.65 58.10 1s4f h GLN 274 Cb 0.66 -0.12 0.01 0.00 1.07 0.00 0.00 27.48 29.11 1s4f h GLN 274 CO -0.00 0.34 -0.18 0.00 -2.65 0.00 0.00 178.83 176.33 1s4f s ALA 275 N -6.09 3.70 0.55 3.38 0.00 0.84 -4.95 121.76 119.20 1s4f s ALA 275 Ca -0.13 -0.92 0.50 0.00 0.00 0.00 0.00 51.96 51.41 1s4f s ALA 275 Cb 0.17 -2.11 1.73 0.00 0.00 0.00 0.00 23.12 22.90 1s4f s ALA 275 CO 0.75 -0.05 1.56 0.41 0.00 0.00 0.00 175.76 178.43 1s4f n GLY 276 N -1.81 -0.99 3.54 0.00 0.00 -1.26 -4.49 105.19 100.19 1s4f n GLY 276 Ca -0.04 0.70 -0.36 0.00 0.00 0.00 0.00 46.02 46.32 1s4f n GLY 276 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 1s4f n ASP 277 N -3.94 1.89 -3.67 1.61 2.03 -1.25 -4.85 116.55 108.38 1s4f n ASP 277 Ca 0.44 -0.44 -0.41 0.00 0.52 0.00 0.00 54.79 54.90 1s4f n ASP 277 Cb 2.01 -1.46 0.01 0.00 -0.72 0.00 0.00 41.12 40.96 1s4f n ASP 277 CO 0.00 0.00 0.00 0.18 -1.92 0.00 0.00 177.20 175.46 1s4f n LEU 278 N 15.04 7.37 -4.29 -2.67 4.77 -1.26 -2.24 117.00 133.72 1s4f n LEU 278 Ca 0.43 -5.15 -0.35 0.00 -0.03 0.00 0.00 56.01 50.90 1s4f n LEU 278 Cb 0.45 -1.27 0.07 0.00 -2.33 0.00 0.00 43.42 40.34 1s4f n LEU 278 CO 0.75 1.94 -0.46 1.33 -1.33 0.00 0.00 177.39 179.62 1s4f n VAL 279 N 0.96 0.49 0.00 4.08 0.24 -1.26 -4.94 118.33 117.90 1s4f n VAL 279 Ca 0.48 -0.37 0.00 0.00 -2.04 0.00 0.00 64.34 62.41 1s4f n VAL 279 Cb 0.28 -0.41 0.00 0.00 -1.47 0.00 0.00 33.84 32.23 1s4f n VAL 279 CO 0.00 0.00 0.00 0.52 -2.14 0.00 0.00 176.83 175.21 1s4f n VAL 280 N -2.74 0.00 -3.47 3.34 0.31 -1.26 -5.01 118.33 109.49 1s4f n VAL 280 Ca 0.05 -0.30 -0.13 0.00 -0.01 0.00 0.00 64.34 63.95 1s4f n VAL 280 Cb 0.53 0.81 -0.03 0.00 -0.91 0.00 0.00 33.84 34.24 1s4f n VAL 280 CO 0.00 0.00 0.00 -1.83 -1.32 0.00 0.00 176.83 173.68 1s4f s GLU 281 N -1.24 1.20 0.10 5.55 -1.05 -1.26 -4.49 118.70 117.50 1s4f s GLU 281 Ca 0.00 -0.31 0.10 0.00 -0.15 0.00 0.00 54.97 54.61 1s4f s GLU 281 Cb 0.00 0.55 -0.04 0.00 -0.44 0.00 0.00 34.13 34.21 1s4f s GLU 281 CO 0.00 -0.49 -0.25 0.21 0.95 0.00 0.00 175.26 175.69 1s4f s LYS 282 N -3.10 1.62 0.31 -4.83 2.47 -0.87 -4.92 119.74 110.43 1s4f s LYS 282 Ca -0.02 -1.23 -0.29 0.00 -1.56 0.00 0.00 55.97 52.87 1s4f s LYS 282 Cb -0.01 -1.98 -0.12 0.00 -1.46 0.00 0.00 37.83 34.26 1s4f s LYS 282 CO -0.07 0.48 1.43 2.89 0.16 0.00 0.00 175.35 180.24 1s4f n ARG 283 N 1.16 2.35 -2.43 4.03 1.85 -1.26 -1.07 116.66 121.29 1s4f n ARG 283 Ca -0.17 0.83 -0.34 0.00 -1.00 0.00 0.00 57.85 57.17 1s4f n ARG 283 Cb 0.53 -2.51 -0.02 0.00 -1.05 0.00 0.00 32.46 29.41 1s4f n ARG 283 CO 0.00 0.00 0.00 -1.25 -0.01 0.00 0.00 177.63 176.37 1s4f s PRO 284 N -1.23 3.65 0.20 2.89 0.04 -1.24 -4.79 135.00 134.53 1s4f s PRO 284 Ca 0.60 1.39 -0.23 0.00 0.04 0.00 0.00 61.00 62.80 1s4f s PRO 284 Cb -0.55 -2.07 -0.08 0.00 0.04 0.00 0.00 34.50 31.84 1s4f s PRO 284 CO 0.56 -0.56 0.77 1.03 0.04 0.00 0.00 177.00 178.84 1s4f s ARG 285 N -3.35 4.45 -0.24 4.56 0.52 -1.26 -4.89 118.95 118.74 1s4f s ARG 285 Ca 0.68 1.07 -0.09 0.00 -0.52 0.00 0.00 55.73 56.86 1s4f s ARG 285 Cb -0.18 -3.08 -0.04 0.00 0.52 0.00 0.00 34.95 32.17 1s4f s ARG 285 CO 0.23 0.48 0.13 0.14 0.02 0.00 0.00 175.30 176.30 1s4f s VAL 286 N -1.33 5.00 -0.14 3.52 -7.23 -1.26 -0.69 120.40 118.27 1s4f s VAL 286 Ca 0.40 0.06 -0.15 0.00 -1.81 0.00 0.00 61.98 60.47 1s4f s VAL 286 Cb -0.20 -3.33 -0.05 0.00 0.56 0.00 0.00 36.38 33.36 1s4f s VAL 286 CO 0.24 0.34 0.36 -0.63 -0.31 0.00 0.00 175.10 175.10 1s4f s ILE 287 N 1.24 5.26 -0.25 -0.62 1.01 0.02 -4.84 121.20 123.01 1s4f s ILE 287 Ca 0.06 0.69 0.02 0.00 0.00 0.00 0.00 60.65 61.42 1s4f s ILE 287 Cb -0.14 -3.69 0.06 0.00 0.01 0.00 0.00 42.46 38.70 1s4f s ILE 287 CO 0.05 0.38 -0.07 -1.10 0.00 0.00 0.00 174.94 174.20 1s4f s GLN 288 N 0.40 1.90 0.08 2.79 -0.21 -1.26 -1.95 119.66 121.41 1s4f s GLN 288 Ca 0.20 -1.21 0.05 0.00 0.02 0.00 0.00 55.36 54.42 1s4f s GLN 288 Cb -0.14 -2.76 -0.03 0.00 1.00 0.00 0.00 33.01 31.08 1s4f s GLN 288 CO 0.06 -0.61 -0.14 1.52 -2.12 0.00 0.00 175.29 174.00 1s4f s TYR 289 N 1.23 1.23 0.76 0.91 -0.85 -0.70 -0.80 117.35 119.14 1s4f s TYR 289 Ca -0.06 -0.48 -0.08 0.00 -0.52 0.00 0.00 57.07 55.93 1s4f s TYR 289 Cb -0.19 -0.69 0.10 0.00 0.38 0.00 0.00 41.96 41.56 1s4f s TYR 289 CO -0.06 0.07 1.09 -2.14 -1.52 0.00 0.00 175.55 172.98 1s4f s PRO 290 N -1.90 1.83 1.07 -3.49 0.02 -1.26 -0.62 135.00 130.66 1s4f s PRO 290 Ca -0.00 -0.35 -0.15 0.00 0.02 0.00 0.00 61.00 60.52 1s4f s PRO 290 Cb -0.09 -2.11 0.15 0.00 0.02 0.00 0.00 34.50 32.47 1s4f s PRO 290 CO 0.02 -1.52 0.53 0.39 -0.33 0.00 0.00 177.00 176.10 1s4f n GLU 291 N -3.11 -1.43 0.02 5.54 1.02 -1.26 -4.69 120.64 116.74 1s4f n GLU 291 Ca 0.10 -0.38 -0.10 0.00 -0.02 0.00 0.00 57.16 56.76 1s4f n GLU 291 Cb 0.60 -1.96 0.04 0.00 -0.02 0.00 0.00 31.44 30.10 1s4f n GLU 291 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1s4f h ALA 292 N -2.12 0.64 0.11 0.62 0.00 -1.73 0.65 119.26 117.42 1s4f h ALA 292 Ca -0.52 -0.56 -0.01 0.00 0.00 0.00 0.00 54.91 53.82 1s4f h ALA 292 Cb 1.32 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 19.05 1s4f h ALA 292 CO 0.41 0.72 -0.05 0.87 0.00 0.00 0.00 179.25 181.19 1s4f h LYS 293 N 0.36 -0.14 -0.93 0.00 1.57 -1.90 -1.50 116.57 114.03 1s4f h LYS 293 Ca -0.01 0.01 -0.00 0.00 -1.87 0.00 0.00 60.65 58.77 1s4f h LYS 293 Cb 1.20 0.03 -0.05 0.00 0.08 0.00 0.00 32.23 33.49 1s4f h LYS 293 CO 0.12 0.14 0.57 1.15 -0.57 0.00 0.00 179.45 180.86 1s4f h THR 294 N -0.42 1.25 0.55 -0.16 2.02 -1.90 -0.68 112.91 113.58 1s4f h THR 294 Ca -0.01 -0.54 -0.02 0.00 0.77 0.00 0.00 66.41 66.61 1s4f h THR 294 Cb 0.34 -0.07 -0.01 0.00 -1.74 0.00 0.00 68.15 66.67 1s4f h THR 294 CO 0.02 0.26 -0.37 0.03 0.37 0.00 0.00 175.52 175.84 1s4f h ARG 295 N 1.28 -0.85 -0.09 6.66 3.08 -0.78 -1.95 114.38 121.73 1s4f h ARG 295 Ca 0.34 0.06 0.04 0.00 0.07 0.00 0.00 59.98 60.49 1s4f h ARG 295 Cb -0.07 0.19 -0.06 0.00 0.08 0.00 0.00 29.97 30.12 1s4f h ARG 295 CO -0.06 -0.57 -0.31 -0.07 -1.07 0.00 0.00 179.97 177.89 1s4f h LEU 296 N -0.88 -0.94 -0.20 3.04 4.07 -1.05 0.77 115.31 120.11 1s4f h LEU 296 Ca -0.06 0.13 0.02 0.00 0.08 0.00 0.00 57.88 58.05 1s4f h LEU 296 Cb 0.73 0.39 -0.03 0.00 1.08 0.00 0.00 40.66 42.84 1s4f h LEU 296 CO 0.04 -0.36 -0.18 0.00 -1.08 0.00 0.00 178.44 176.87 1s4f h ALA 297 N 0.40 -0.33 -0.08 1.53 0.00 -1.06 0.30 119.26 120.02 1s4f h ALA 297 Ca 0.08 0.01 0.02 0.00 0.00 0.00 0.00 54.91 55.03 1s4f h ALA 297 Cb 0.54 0.95 -0.03 0.00 0.00 0.00 0.00 17.79 19.24 1s4f h ALA 297 CO -0.32 -0.43 -0.28 0.82 0.00 0.00 0.00 179.25 179.05 1s4f h ILE 298 N -0.07 0.00 -0.96 0.00 2.04 -0.76 -1.88 117.51 115.87 1s4f h ILE 298 Ca 0.03 0.00 0.26 0.00 1.00 0.00 0.00 64.86 66.15 1s4f h ILE 298 Cb 0.16 0.00 -0.06 0.00 -0.74 0.00 0.00 36.82 36.18 1s4f h ILE 298 CO -0.23 0.00 0.67 0.74 0.00 0.00 0.00 178.15 179.33 1s4f h THR 299 N -0.29 0.56 -0.28 -0.27 2.02 0.83 0.94 112.91 116.42 1s4f h THR 299 Ca 0.02 -0.06 -0.07 0.00 0.77 0.00 0.00 66.41 67.06 1s4f h THR 299 Cb 0.34 0.36 -0.01 0.00 -1.74 0.00 0.00 68.15 67.11 1s4f h THR 299 CO -0.23 0.03 -0.11 0.50 0.37 0.00 0.00 175.52 176.09 1s4f h LYS 300 N 0.18 0.57 0.10 6.66 3.64 0.43 -0.66 116.57 127.49 1s4f h LYS 300 Ca 0.49 -0.24 -0.14 0.00 -1.27 0.00 0.00 60.65 59.49 1s4f h LYS 300 Cb 1.61 -0.02 0.01 0.00 -0.41 0.00 0.00 32.23 33.42 1s4f h LYS 300 CO -0.10 0.80 -0.62 -0.39 -2.27 0.00 0.00 179.45 176.86 1s4f h VAL 301 N 0.31 1.56 -0.33 2.00 -1.51 -1.12 -2.04 116.25 115.13 1s4f h VAL 301 Ca 0.07 -2.47 -0.11 0.00 -1.23 0.00 0.00 66.70 62.95 1s4f h VAL 301 Cb 0.61 3.22 -0.07 0.00 -2.13 0.00 0.00 31.29 32.93 1s4f h VAL 301 CO 0.04 0.68 0.14 0.23 -1.23 0.00 0.00 177.57 177.43 1s4f n MET 302 N -4.26 2.04 0.02 5.19 2.81 0.25 -3.84 117.12 119.33 1s4f n MET 302 Ca -0.14 -1.27 -0.14 0.00 -1.81 0.00 0.00 57.70 54.35 1s4f n MET 302 Cb 0.73 -1.64 -0.08 0.00 -0.71 0.00 0.00 33.22 31.52 1s4f n MET 302 CO 0.00 0.00 0.00 -0.92 1.51 0.00 0.00 175.97 176.56 1s4f h TYR 303 N 1.00 -1.36 -0.84 2.03 3.20 -1.24 0.15 116.97 119.91 1s4f h TYR 303 Ca 0.14 0.05 0.20 0.00 3.14 0.00 0.00 58.73 62.25 1s4f h TYR 303 Cb 1.46 0.61 -0.12 0.00 1.54 0.00 0.00 36.73 40.22 1s4f h TYR 303 CO 0.56 -0.52 0.32 -0.91 -1.64 0.00 0.00 178.16 175.97 1s4f h ASN 304 N -0.56 0.22 0.00 -2.11 4.21 -1.86 0.58 115.58 116.06 1s4f h ASN 304 Ca 0.05 0.15 -0.00 0.00 1.21 0.00 0.00 56.30 57.71 1s4f h ASN 304 Cb 0.67 0.15 -0.00 0.00 -1.12 0.00 0.00 38.32 38.02 1s4f h ASN 304 CO -0.39 -0.00 -0.05 -0.25 -1.29 0.00 0.00 177.43 175.44 1s4f h TRP 305 N 0.37 0.00 -1.00 1.19 2.91 -1.86 -1.31 115.95 116.24 1s4f h TRP 305 Ca 0.51 0.00 0.22 0.00 1.13 0.00 0.00 58.89 60.74 1s4f h TRP 305 Cb 0.92 0.00 -0.11 0.00 -0.51 0.00 0.00 29.16 29.46 1s4f h TRP 305 CO -0.18 0.14 0.62 0.28 -1.03 0.00 0.00 178.44 178.26 1s4f h VAL 306 N -1.00 0.63 -0.00 2.65 2.07 -0.87 -1.01 116.25 118.71 1s4f h VAL 306 Ca -0.00 -0.22 0.00 0.00 0.82 0.00 0.00 66.70 67.30 1s4f h VAL 306 Cb 0.18 -0.06 0.00 0.00 -1.52 0.00 0.00 31.29 29.89 1s4f h VAL 306 CO -0.00 0.12 -0.61 1.17 0.02 0.00 0.00 177.57 178.27 1s4f n LYS 307 N -4.76 0.30 -3.93 1.57 3.00 0.20 -4.47 118.16 110.07 1s4f n LYS 307 Ca 0.24 -0.21 -0.26 0.00 -0.00 0.00 0.00 58.31 58.08 1s4f n LYS 307 Cb 0.67 -1.50 -0.01 0.00 0.00 0.00 0.00 35.03 34.20 1s4f n LYS 307 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.40 178.44 1s4f n GLN 308 N -1.17 -3.87 -0.10 1.64 1.13 -0.38 -4.88 117.38 109.75 1s4f n GLN 308 Ca 0.07 0.47 -0.09 0.00 -1.94 0.00 0.00 57.00 55.50 1s4f n GLN 308 Cb 0.35 -4.85 -0.02 0.00 0.11 0.00 0.00 30.24 25.84 1s4f n GLN 308 CO 0.00 0.00 0.00 1.96 -1.44 0.00 0.00 177.06 177.58 1s4f h GLN 309 N -1.83 0.43 -3.95 -1.09 1.08 -1.77 -3.20 115.11 104.80 1s4f h GLN 309 Ca -0.62 -0.05 -0.78 0.00 -1.45 0.00 0.00 58.65 55.76 1s4f h GLN 309 Cb 1.37 -0.09 -0.25 0.00 -0.05 0.00 0.00 27.48 28.47 1s4f h GLN 309 CO 0.64 0.37 0.01 -2.14 -0.95 0.00 0.00 178.83 176.76 1s4f s PRO 310 N -5.88 3.41 -0.33 1.46 0.02 -1.26 -5.01 135.00 127.41 1s4f s PRO 310 Ca -0.13 -2.20 -0.30 0.00 0.02 0.00 0.00 61.00 58.38 1s4f s PRO 310 Cb 0.09 -4.40 -0.08 0.00 0.02 0.00 0.00 34.50 30.14 1s4f s PRO 310 CO 0.72 -1.31 2.27 0.28 -0.33 0.00 0.00 177.00 178.62 1s4f n VAL 311 N 4.41 0.21 0.18 3.83 0.31 -1.21 -4.78 118.33 121.27 1s4f n VAL 311 Ca 0.05 -0.44 0.07 0.00 -0.01 0.00 0.00 64.34 64.01 1s4f n VAL 311 Cb 0.45 -2.24 0.12 0.00 -0.91 0.00 0.00 33.84 31.26 1s4f n VAL 311 CO 0.00 0.00 0.00 1.33 -1.32 0.00 0.00 176.83 176.84 1s4f n VAL 312 N 7.62 0.50 -3.51 2.52 0.24 -1.26 -4.90 118.33 119.54 1s4f n VAL 312 Ca 0.36 -0.75 -0.42 0.00 -2.04 0.00 0.00 64.34 61.50 1s4f n VAL 312 Cb 0.38 0.89 -0.10 0.00 -1.47 0.00 0.00 33.84 33.54 1s4f n VAL 312 CO 0.00 0.00 0.00 -0.63 -2.14 0.00 0.00 176.83 174.06 1s4f s ILE 313 N -1.06 5.15 0.17 1.34 1.01 -1.26 -4.91 121.20 121.63 1s4f s ILE 313 Ca 0.22 -0.54 -0.32 0.00 0.00 0.00 0.00 60.65 60.01 1s4f s ILE 313 Cb 0.13 -3.79 -0.17 0.00 0.01 0.00 0.00 42.46 38.64 1s4f s ILE 313 CO 0.18 -0.19 0.94 -2.65 0.00 0.00 0.00 174.94 173.22 1s4f n PRO 314 N 5.11 0.66 -0.50 2.79 -0.02 -1.26 -1.45 135.00 140.34 1s4f n PRO 314 Ca -0.12 0.23 0.00 0.00 -2.02 0.00 0.00 63.50 61.60 1s4f n PRO 314 Cb 0.48 -1.57 0.00 0.00 -0.02 0.00 0.00 33.50 32.38 1s4f n PRO 314 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1s4f n GLY 315 N 1.81 0.00 3.68 -1.23 0.00 -1.26 -4.62 105.19 103.57 1s4f n GLY 315 Ca 0.16 0.00 -0.50 0.00 0.00 0.00 0.00 46.02 45.68 1s4f n GLY 315 CO 0.00 0.00 0.00 2.98 0.00 0.00 0.00 173.32 176.30 1s4f n TYR 316 N -1.90 2.21 -2.02 1.61 9.36 -0.53 -0.83 117.16 125.07 1s4f n TYR 316 Ca 0.00 0.19 -0.25 0.00 3.32 0.00 0.00 57.90 61.16 1s4f n TYR 316 Cb 0.01 -2.58 0.02 0.00 -0.63 0.00 0.00 39.34 36.17 1s4f n TYR 316 CO 0.00 0.00 0.00 -1.91 0.22 0.00 0.00 176.86 175.17 1s4f n GLU 317 N 5.45 3.55 0.06 2.98 4.07 0.31 -4.62 120.64 132.43 1s4f n GLU 317 Ca 0.22 -4.15 0.12 0.00 -0.06 0.00 0.00 57.16 53.29 1s4f n GLU 317 Cb 0.26 -2.28 0.16 0.00 -0.06 0.00 0.00 31.44 29.52 1s4f n GLU 317 CO 0.00 0.00 0.00 0.41 -0.06 0.00 0.00 177.13 177.48 1s4f n GLY 318 N -0.70 -1.40 0.00 8.31 0.00 -1.26 -4.24 105.19 105.90 1s4f n GLY 318 Ca 0.45 -0.26 0.05 0.00 0.00 0.00 0.00 46.02 46.26 1s4f n GLY 318 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1s4f n LYS 319 N -2.08 2.72 -3.46 1.61 5.02 -1.26 -4.98 118.16 115.73 1s4f n LYS 319 Ca 0.03 -0.03 -0.37 0.00 -2.02 0.00 0.00 58.31 55.93 1s4f n LYS 319 Cb 0.44 -1.06 -0.07 0.00 -0.02 0.00 0.00 35.03 34.32 1s4f n LYS 319 CO 0.00 0.00 0.00 0.99 -0.52 0.00 0.00 177.40 177.87 1s4f s THR 320 N -2.19 5.26 0.33 -0.18 2.01 -1.26 -5.05 115.64 114.56 1s4f s THR 320 Ca 0.02 0.69 -0.29 0.00 0.31 0.00 0.00 61.69 62.43 1s4f s THR 320 Cb 0.08 -3.70 -0.10 0.00 0.01 0.00 0.00 72.50 68.79 1s4f s THR 320 CO 0.44 0.36 1.29 -2.84 -0.69 0.00 0.00 174.62 173.18 1s4f s PRO 321 N 0.54 4.37 0.62 4.92 0.02 -1.26 -4.92 135.00 139.29 1s4f s PRO 321 Ca 0.20 2.19 0.33 0.00 0.02 0.00 0.00 61.00 63.74 1s4f s PRO 321 Cb -0.14 -3.07 1.91 0.00 0.02 0.00 0.00 34.50 33.22 1s4f s PRO 321 CO 0.06 -0.16 2.20 -0.07 -0.33 0.00 0.00 177.00 178.70 1s4f h LEU 322 N 3.40 0.00 0.00 -5.54 -0.00 -1.97 -3.17 115.31 108.03 1s4f h LEU 322 Ca -0.49 0.00 0.00 0.00 -0.00 0.00 0.00 57.88 57.39 1s4f h LEU 322 Cb 1.23 0.00 0.00 0.00 -0.00 0.00 0.00 40.66 41.89 1s4f h LEU 322 CO 0.65 0.00 0.00 2.22 -0.00 0.00 0.00 178.44 181.31 1s4f n PHE 323 N -3.53 0.00 -1.34 1.13 1.16 -1.26 -3.28 117.46 110.34 1s4f n PHE 323 Ca -0.01 0.00 0.00 0.00 -1.87 0.00 0.00 57.45 55.57 1s4f n PHE 323 Cb 0.19 0.00 0.00 0.00 -1.61 0.00 0.00 39.48 38.06 1s4f n PHE 323 CO 0.00 0.00 0.00 0.27 -1.87 0.00 0.00 176.76 175.16 1s4f n ASN 324 N -0.78 0.00 0.35 5.98 0.23 -1.20 -4.80 115.26 115.04 1s4f n ASN 324 Ca 0.08 -1.00 -0.14 0.00 -0.53 0.00 0.00 54.58 52.99 1s4f n ASN 324 Cb 0.04 0.00 -0.07 0.00 -2.08 0.00 0.00 39.78 37.67 1s4f n ASN 324 CO 0.00 0.00 0.00 -0.29 -0.93 0.00 0.00 177.26 176.04 1s4f h ILE 325 N 1.83 0.00 -1.13 1.53 2.10 -1.63 -3.22 117.51 116.98 1s4f h ILE 325 Ca 0.00 -0.09 0.33 0.00 1.08 0.00 0.00 64.86 66.18 1s4f h ILE 325 Cb 0.71 0.00 -0.05 0.00 -1.09 0.00 0.00 36.82 36.39 1s4f h ILE 325 CO 0.00 0.00 0.91 -0.26 -1.08 0.00 0.00 178.15 177.72 1s4f h PHE 326 N -0.98 0.00 -0.45 2.19 0.05 -1.82 0.36 116.94 116.29 1s4f h PHE 326 Ca -0.09 0.00 -0.08 0.00 3.82 0.00 0.00 57.97 61.62 1s4f h PHE 326 Cb 0.69 0.00 -0.02 0.00 2.00 0.00 0.00 35.95 38.62 1s4f h PHE 326 CO 0.05 0.00 -0.06 -0.44 -0.18 0.00 0.00 178.31 177.69 1s4f h ASP 327 N 0.00 0.76 -0.10 2.17 3.32 -1.72 0.35 116.42 121.19 1s4f h ASP 327 Ca 0.54 -0.21 -0.03 0.00 0.02 0.00 0.00 57.03 57.35 1s4f h ASP 327 Cb 2.35 -0.20 -0.00 0.00 0.22 0.00 0.00 39.33 41.69 1s4f h ASP 327 CO -0.01 0.86 -0.06 0.50 -1.72 0.00 0.00 179.24 178.81 1s4f h LYS 328 N 0.72 0.23 -0.21 3.56 3.64 -0.39 -2.44 116.57 121.67 1s4f h LYS 328 Ca 0.13 -0.10 0.06 0.00 -1.27 0.00 0.00 60.65 59.47 1s4f h LYS 328 Cb 0.52 -0.00 -0.01 0.00 -0.41 0.00 0.00 32.23 32.33 1s4f h LYS 328 CO 0.03 0.60 0.17 0.28 -2.27 0.00 0.00 179.45 178.25 1s4f h VAL 329 N -0.15 0.76 -0.74 2.00 2.07 -1.15 0.55 116.25 119.59 1s4f h VAL 329 Ca 0.02 0.00 -0.05 0.00 0.82 0.00 0.00 66.70 67.49 1s4f h VAL 329 Cb 0.54 0.88 -0.03 0.00 -1.52 0.00 0.00 31.29 31.16 1s4f h VAL 329 CO 0.02 0.00 0.28 -0.09 0.02 0.00 0.00 177.57 177.80 1s4f h ARG 330 N 0.00 1.11 0.37 1.57 9.65 0.17 -0.84 114.38 126.41 1s4f h ARG 330 Ca 0.10 -0.21 -0.02 0.00 -1.10 0.00 0.00 59.98 58.76 1s4f h ARG 330 Cb 0.43 -0.18 0.00 0.00 -1.39 0.00 0.00 29.97 28.83 1s4f h ARG 330 CO -0.00 0.91 -0.18 0.87 2.80 0.00 0.00 179.97 184.37 1s4f h LYS 331 N 1.08 -0.48 -0.88 0.20 1.79 -0.69 -0.15 116.57 117.44 1s4f h LYS 331 Ca 0.25 0.03 0.09 0.00 -2.18 0.00 0.00 60.65 58.84 1s4f h LYS 331 Cb 0.23 0.11 -0.07 0.00 -1.58 0.00 0.00 32.23 30.92 1s4f h LYS 331 CO -0.02 -0.32 0.53 0.93 -1.08 0.00 0.00 179.45 179.49 1s4f h GLU 332 N -0.50 0.87 -0.15 3.15 5.08 -1.37 -0.48 114.58 121.18 1s4f h GLU 332 Ca -0.05 -0.05 -0.01 0.00 -1.00 0.00 0.00 59.36 58.25 1s4f h GLU 332 Cb 0.38 -0.20 -0.01 0.00 0.50 0.00 0.00 28.75 29.43 1s4f h GLU 332 CO 0.08 0.58 0.07 2.35 -1.00 0.00 0.00 179.01 181.09 1s4f h TRP 333 N 0.90 0.22 0.00 4.33 2.91 -0.70 -2.25 115.95 121.36 1s4f h TRP 333 Ca 0.42 -0.01 0.00 0.00 1.13 0.00 0.00 58.89 60.42 1s4f h TRP 333 Cb 0.33 -0.07 0.00 0.00 -0.51 0.00 0.00 29.16 28.92 1s4f h TRP 333 CO -0.04 0.26 0.00 -0.25 -1.03 0.00 0.00 178.44 177.38 1s4f n ASP 334 N -4.90 0.41 0.08 2.65 8.00 -0.11 -2.32 116.55 120.36 1s4f n ASP 334 Ca -0.05 0.60 0.13 0.00 0.71 0.00 0.00 54.79 56.18 1s4f n ASP 334 Cb 0.09 -0.69 0.46 0.00 -0.02 0.00 0.00 41.12 40.96 1s4f n ASP 334 CO 0.00 0.00 0.00 -1.54 -0.39 0.00 0.00 177.20 175.27 1s4f n SER 335 N -1.95 0.58 -4.97 -2.24 3.41 -0.26 -4.85 113.62 103.35 1s4f n SER 335 Ca 0.03 0.58 -0.21 0.00 -0.26 0.00 0.00 58.87 59.00 1s4f n SER 335 Cb 0.21 -0.72 -0.01 0.00 -0.26 0.00 0.00 64.21 63.43 1s4f n SER 335 CO 0.00 0.00 0.00 -0.36 -0.16 0.00 0.00 175.04 174.52 1s4f s PHE 336 N -3.12 3.31 -0.03 7.33 0.08 -0.98 -5.06 117.98 119.51 1s4f s PHE 336 Ca 0.10 0.06 -0.03 0.00 0.12 0.00 0.00 56.93 57.17 1s4f s PHE 336 Cb 0.13 -1.93 -0.02 0.00 -0.57 0.00 0.00 43.02 40.63 1s4f s PHE 336 CO 0.52 0.07 0.26 -0.91 -0.10 0.00 0.00 175.22 175.05 1s4f h ASN 337 N 0.83 -0.11 -2.24 1.36 -0.26 -1.88 -3.41 115.58 109.87 1s4f h ASN 337 Ca -0.48 0.00 -0.59 0.00 -0.56 0.00 0.00 56.30 54.67 1s4f h ASN 337 Cb 1.24 0.03 -0.41 0.00 -1.06 0.00 0.00 38.32 38.12 1s4f h ASN 337 CO 0.58 0.10 -0.80 1.21 -1.06 0.00 0.00 177.43 177.46 1s4f n GLU 338 N -3.32 1.63 -1.51 0.81 2.13 -1.26 -5.09 120.64 114.03 1s4f n GLU 338 Ca -0.02 -4.03 -0.38 0.00 0.66 0.00 0.00 57.16 53.39 1s4f n GLU 338 Cb 0.05 -1.85 0.04 0.00 0.27 0.00 0.00 31.44 29.95 1s4f n GLU 338 CO 0.00 0.00 0.00 -2.30 -0.41 0.00 0.00 177.13 174.42 1s4f n PRO 339 N 1.33 0.65 -3.71 5.31 -0.02 -1.26 -0.65 135.00 136.65 1s4f n PRO 339 Ca 0.26 0.25 -0.13 0.00 -2.02 0.00 0.00 63.50 61.86 1s4f n PRO 339 Cb 0.45 -1.83 -0.10 0.00 -0.02 0.00 0.00 33.50 32.01 1s4f n PRO 339 CO 0.00 0.00 0.00 0.08 1.98 0.00 0.00 175.50 177.56 1s4f s VAL 340 N -1.63 -0.00 -0.16 -1.45 1.01 0.04 -4.63 120.40 113.58 1s4f s VAL 340 Ca 0.70 0.02 -0.03 0.00 0.00 0.00 0.00 61.98 62.67 1s4f s VAL 340 Cb -0.45 -0.66 -0.02 0.00 0.00 0.00 0.00 36.38 35.25 1s4f s VAL 340 CO 0.53 0.01 -0.05 0.00 0.00 0.00 0.00 175.10 175.58 1s4f s ALA 341 N 0.50 2.92 -0.13 5.51 0.00 -0.96 -1.62 121.76 127.98 1s4f s ALA 341 Ca -0.02 -0.88 -0.01 0.00 0.00 0.00 0.00 51.96 51.05 1s4f s ALA 341 Cb -0.04 -1.53 -0.02 0.00 0.00 0.00 0.00 23.12 21.52 1s4f s ALA 341 CO -0.02 0.12 -0.11 0.08 0.00 0.00 0.00 175.76 175.83 1s4f s VAL 342 N 0.54 3.29 0.11 0.00 1.01 0.16 -0.42 120.40 125.08 1s4f s VAL 342 Ca -0.04 -0.58 -0.06 0.00 0.00 0.00 0.00 61.98 61.29 1s4f s VAL 342 Cb -0.15 -2.39 -0.06 0.00 0.00 0.00 0.00 36.38 33.79 1s4f s VAL 342 CO 0.03 0.52 0.37 -0.44 0.00 0.00 0.00 175.10 175.58 1s4f s SER 343 N 0.23 6.53 -0.17 3.32 0.01 0.11 -0.72 113.70 123.01 1s4f s SER 343 Ca -0.07 0.64 -0.19 0.00 1.31 0.00 0.00 55.95 57.65 1s4f s SER 343 Cb -0.15 -2.12 -0.03 0.00 0.21 0.00 0.00 66.02 63.93 1s4f s SER 343 CO 0.05 0.11 0.52 -0.36 0.41 0.00 0.00 173.24 173.97 1s4f s PHE 344 N -1.54 3.42 -0.39 2.43 2.99 0.17 -4.28 117.98 120.78 1s4f s PHE 344 Ca 0.37 0.83 0.08 0.00 0.00 0.00 0.00 56.93 58.21 1s4f s PHE 344 Cb -0.13 -2.65 0.26 0.00 0.00 0.00 0.00 43.02 40.51 1s4f s PHE 344 CO 0.22 -0.03 0.58 -3.47 -0.00 0.00 0.00 175.22 172.52 1s4f n ASP 345 N 4.47 0.05 -4.79 1.36 2.03 -1.26 -4.23 116.55 114.18 1s4f n ASP 345 Ca -0.05 -2.78 -0.36 0.00 0.52 0.00 0.00 54.79 52.12 1s4f n ASP 345 Cb 0.51 -0.46 -0.06 0.00 -0.72 0.00 0.00 41.12 40.39 1s4f n ASP 345 CO 0.00 0.00 0.00 -0.89 -1.92 0.00 0.00 177.20 174.39 1s4f s THR 346 N -1.23 4.05 -0.06 5.18 2.01 -1.26 -0.10 115.64 124.24 1s4f s THR 346 Ca 0.35 1.55 -0.22 0.00 0.31 0.00 0.00 61.69 63.68 1s4f s THR 346 Cb 0.20 -3.79 -0.04 0.00 0.01 0.00 0.00 72.50 68.88 1s4f s THR 346 CO -0.11 -0.01 0.65 -0.75 -0.69 0.00 0.00 174.62 173.71 1s4f s LYS 347 N -2.47 4.41 -1.15 4.92 2.20 0.88 -4.38 119.74 124.15 1s4f s LYS 347 Ca 0.56 0.80 -0.23 0.00 -0.36 0.00 0.00 55.97 56.74 1s4f s LYS 347 Cb -0.18 -3.42 0.03 0.00 -1.51 0.00 0.00 37.83 32.75 1s4f s LYS 347 CO 0.23 0.15 0.44 0.00 -0.36 0.00 0.00 175.35 175.81 1s4f n ALA 348 N 3.51 -2.29 -0.33 3.13 0.00 -1.26 -4.74 120.51 118.53 1s4f n ALA 348 Ca -0.03 -0.49 -0.06 0.00 0.00 0.00 0.00 53.44 52.86 1s4f n ALA 348 Cb 0.51 -1.85 -0.04 0.00 0.00 0.00 0.00 19.45 18.08 1s4f n ALA 348 CO 0.00 0.00 0.00 1.87 0.00 0.00 0.00 177.50 179.37 1s4f n TRP 349 N -4.51 -0.21 0.14 0.00 -0.00 -1.26 -0.35 117.44 111.26 1s4f n TRP 349 Ca -0.15 1.01 0.14 0.00 -0.00 0.00 0.00 57.50 58.50 1s4f n TRP 349 Cb 0.53 -0.66 0.68 0.00 -0.00 0.00 0.00 31.31 31.86 1s4f n TRP 349 CO 0.00 0.00 0.00 -0.44 -0.00 0.00 0.00 177.69 177.25 1s4f h ASP 350 N 0.00 0.00 1.08 5.87 3.32 -1.88 0.25 116.42 125.06 1s4f h ASP 350 Ca 0.19 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.24 1s4f h ASP 350 Cb 0.39 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.94 1s4f h ASP 350 CO -0.78 0.00 0.00 0.74 -1.72 0.00 0.00 179.24 177.48 1s4f h THR 351 N 0.00 0.00 0.00 0.35 2.02 -0.99 -0.44 112.91 113.85 1s4f h THR 351 Ca 0.12 -0.46 -0.16 0.00 0.77 0.00 0.00 66.41 66.68 1s4f h THR 351 Cb 0.48 1.36 -0.03 0.00 -1.74 0.00 0.00 68.15 68.22 1s4f h THR 351 CO -0.00 0.00 -1.97 0.00 0.37 0.00 0.00 175.52 173.92 1s4f n GLN 352 N -2.68 0.66 -1.64 6.66 3.00 0.83 -4.92 117.38 119.29 1s4f n GLN 352 Ca 0.02 -0.04 -0.50 0.00 -0.01 0.00 0.00 57.00 56.47 1s4f n GLN 352 Cb 0.32 -1.59 -0.06 0.00 0.00 0.00 0.00 30.24 28.91 1s4f n GLN 352 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.06 177.34 1s4f n VAL 353 N -2.57 0.44 -2.69 5.09 0.31 -1.00 -4.67 118.33 113.25 1s4f n VAL 353 Ca -0.15 -0.15 -0.27 0.00 -0.01 0.00 0.00 64.34 63.76 1s4f n VAL 353 Cb 0.82 -1.75 -0.00 0.00 -0.91 0.00 0.00 33.84 32.00 1s4f n VAL 353 CO 0.00 0.00 0.00 -0.89 -1.32 0.00 0.00 176.83 174.62 1s4f s THR 354 N 4.88 4.92 0.16 2.52 2.01 -1.26 -3.63 115.64 125.23 1s4f s THR 354 Ca 0.98 0.18 -0.16 0.00 0.31 0.00 0.00 61.69 63.00 1s4f s THR 354 Cb -0.78 -3.86 0.06 0.00 0.01 0.00 0.00 72.50 67.94 1s4f s THR 354 CO 0.53 -0.81 1.70 0.28 -0.69 0.00 0.00 174.62 175.63 1s4f h SER 355 N 0.32 -0.15 -0.90 3.53 0.02 -1.86 -0.26 113.55 114.25 1s4f h SER 355 Ca -0.47 0.09 0.01 0.00 -0.84 0.00 0.00 61.79 60.57 1s4f h SER 355 Cb 1.20 0.15 -0.04 0.00 0.14 0.00 0.00 62.40 63.85 1s4f h SER 355 CO 0.62 -0.04 0.59 0.11 -1.14 0.00 0.00 176.83 176.97 1s4f h LYS 356 N 0.11 1.20 -0.95 3.45 1.57 -1.98 0.41 116.57 120.37 1s4f h LYS 356 Ca 0.18 -0.08 0.06 0.00 -1.87 0.00 0.00 60.65 58.94 1s4f h LYS 356 Cb 0.26 -0.27 -0.06 0.00 0.08 0.00 0.00 32.23 32.24 1s4f h LYS 356 CO -0.31 0.80 0.61 -0.44 -0.57 0.00 0.00 179.45 179.55 1s4f h ASP 357 N 1.23 0.98 -0.35 0.86 3.32 -1.66 0.54 116.42 121.33 1s4f h ASP 357 Ca 0.33 0.01 -0.10 0.00 0.02 0.00 0.00 57.03 57.28 1s4f h ASP 357 Cb -0.12 -0.20 -0.01 0.00 0.22 0.00 0.00 39.33 39.21 1s4f h ASP 357 CO -0.07 0.64 -0.18 -0.07 -1.72 0.00 0.00 179.24 177.84 1s4f h LEU 358 N 1.13 0.78 -1.22 1.55 3.38 0.38 -2.46 115.31 118.85 1s4f h LEU 358 Ca 0.40 -0.41 0.02 0.00 0.09 0.00 0.00 57.88 57.98 1s4f h LEU 358 Cb 0.13 -0.21 -0.04 0.00 0.09 0.00 0.00 40.66 40.62 1s4f h LEU 358 CO -0.16 1.02 0.53 1.56 0.09 0.00 0.00 178.44 181.48 1s4f h GLN 359 N 0.54 1.03 -0.18 1.13 4.20 0.13 -2.25 115.11 119.71 1s4f h GLN 359 Ca 0.08 -0.06 0.02 0.00 0.06 0.00 0.00 58.65 58.74 1s4f h GLN 359 Cb 0.73 -0.23 -0.02 0.00 0.30 0.00 0.00 27.48 28.26 1s4f h GLN 359 CO 0.05 0.68 0.07 1.25 -0.67 0.00 0.00 178.83 180.21 1s4f h LEU 360 N 1.06 0.08 -2.12 1.46 6.46 0.31 0.15 115.31 122.72 1s4f h LEU 360 Ca 0.30 0.02 0.00 0.00 -0.12 0.00 0.00 57.88 58.08 1s4f h LEU 360 Cb -0.08 0.00 0.00 0.00 -0.73 0.00 0.00 40.66 39.85 1s4f h LEU 360 CO -0.07 0.07 0.00 0.40 -0.62 0.00 0.00 178.44 178.22 1s4f h ILE 361 N 0.15 0.00 0.41 4.05 5.03 -0.96 -1.41 117.51 124.78 1s4f h ILE 361 Ca 0.07 -0.14 -0.02 0.00 -0.12 0.00 0.00 64.86 64.65 1s4f h ILE 361 Cb 0.04 1.01 0.00 0.00 -3.03 0.00 0.00 36.82 34.84 1s4f h ILE 361 CO -0.07 0.00 -0.20 1.23 -0.68 0.00 0.00 178.15 178.43 1s4f h GLY 362 N 0.69 -0.58 -0.05 5.37 0.00 -0.22 0.17 103.07 108.44 1s4f h GLY 362 Ca 0.00 0.22 0.06 0.00 0.00 0.00 0.00 47.33 47.60 1s4f h GLY 362 CO 0.00 -0.21 -0.38 0.83 0.00 0.00 0.00 176.54 176.78 1s4f h GLU 363 N -0.98 -0.38 -0.78 4.80 4.39 -0.60 0.47 114.58 121.49 1s4f h GLU 363 Ca -0.06 0.03 0.14 0.00 0.34 0.00 0.00 59.36 59.81 1s4f h GLU 363 Cb 0.55 0.09 -0.09 0.00 -0.10 0.00 0.00 28.75 29.20 1s4f h GLU 363 CO 0.09 -0.25 0.36 0.82 -1.16 0.00 0.00 179.01 178.87 1s4f h ILE 364 N -0.39 0.71 -0.63 3.13 2.04 -1.30 0.30 117.51 121.37 1s4f h ILE 364 Ca 0.11 -0.18 -0.01 0.00 1.00 0.00 0.00 64.86 65.78 1s4f h ILE 364 Cb 0.58 0.13 -0.03 0.00 -0.74 0.00 0.00 36.82 36.76 1s4f h ILE 364 CO -0.45 0.10 0.35 1.56 0.00 0.00 0.00 178.15 179.71 1s4f h GLN 365 N 0.53 0.87 -0.13 2.37 4.20 0.18 -2.13 115.11 121.01 1s4f h GLN 365 Ca 0.42 -0.10 -0.09 0.00 0.06 0.00 0.00 58.65 58.95 1s4f h GLN 365 Cb 0.60 -0.17 -0.01 0.00 0.30 0.00 0.00 27.48 28.20 1s4f h GLN 365 CO -0.37 0.65 -0.32 0.87 -0.67 0.00 0.00 178.83 178.99 1s4f h LYS 366 N 0.85 0.26 -0.39 1.46 1.57 0.19 -0.90 116.57 119.61 1s4f h LYS 366 Ca 0.22 -0.10 0.03 0.00 -1.87 0.00 0.00 60.65 58.93 1s4f h LYS 366 Cb 0.03 -0.01 -0.03 0.00 0.08 0.00 0.00 32.23 32.29 1s4f h LYS 366 CO -0.04 0.56 0.20 -0.92 -0.57 0.00 0.00 179.45 178.68 1s4f h TYR 367 N 0.23 0.37 0.00 -1.35 3.20 0.16 -2.49 116.97 117.08 1s4f h TYR 367 Ca 0.03 0.02 0.00 0.00 3.14 0.00 0.00 58.73 61.92 1s4f h TYR 367 Cb 0.68 -0.11 0.00 0.00 1.54 0.00 0.00 36.73 38.84 1s4f h TYR 367 CO 0.01 0.19 -0.31 0.66 -1.64 0.00 0.00 178.16 177.08 1s4f n TYR 368 N -4.92 0.07 -4.00 -3.82 4.02 -1.06 -1.38 117.16 106.06 1s4f n TYR 368 Ca 0.01 0.02 -0.36 0.00 -0.01 0.00 0.00 57.90 57.57 1s4f n TYR 368 Cb 0.09 -0.39 -0.08 0.00 -0.02 0.00 0.00 39.34 38.94 1s4f n TYR 368 CO 0.00 0.00 0.00 0.71 -1.01 0.00 0.00 176.86 176.56 1s4f s TYR 369 N -3.02 3.42 0.43 -0.72 1.51 -0.36 -0.68 117.35 117.92 1s4f s TYR 369 Ca 0.12 0.35 -0.24 0.00 -1.01 0.00 0.00 57.07 56.29 1s4f s TYR 369 Cb 0.18 -1.95 -0.10 0.00 -0.11 0.00 0.00 41.96 39.97 1s4f s TYR 369 CO 0.64 0.52 1.03 1.63 -1.11 0.00 0.00 175.55 178.26 1s4f n LYS 370 N 2.47 1.39 0.19 -0.62 5.02 0.46 -4.64 118.16 122.42 1s4f n LYS 370 Ca -0.19 0.50 0.10 0.00 -2.02 0.00 0.00 58.31 56.71 1s4f n LYS 370 Cb 0.54 -2.08 0.56 0.00 -0.02 0.00 0.00 35.03 34.02 1s4f n LYS 370 CO 0.00 0.00 0.00 0.87 -0.52 0.00 0.00 177.40 177.75 1s4f h LYS 371 N 1.54 0.00 -0.69 1.97 1.57 -1.90 0.52 116.57 119.58 1s4f h LYS 371 Ca -0.45 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.33 1s4f h LYS 371 Cb 1.33 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.64 1s4f h LYS 371 CO 0.57 0.00 0.00 -0.85 -0.57 0.00 0.00 179.45 178.60 1s4f n GLU 372 N -2.27 0.93 0.00 3.15 0.28 -1.26 -3.20 120.64 118.27 1s4f n GLU 372 Ca -0.01 0.00 0.00 0.00 -0.16 0.00 0.00 57.16 56.99 1s4f n GLU 372 Cb 0.17 -1.35 0.00 0.00 1.43 0.00 0.00 31.44 31.69 1s4f n GLU 372 CO 0.00 0.00 0.00 0.91 -0.16 0.00 0.00 177.13 177.88 1s4f n TRP 373 N -0.10 0.00 0.05 -1.84 5.03 0.17 -4.92 117.44 115.83 1s4f n TRP 373 Ca 0.00 0.00 0.05 0.00 3.03 0.00 0.00 57.50 60.58 1s4f n TRP 373 Cb 0.17 0.01 0.46 0.00 -1.03 0.00 0.00 31.31 30.92 1s4f n TRP 373 CO 0.00 0.00 0.00 0.45 -0.03 0.00 0.00 177.69 178.11 1s4f h HIS 374 N 0.00 0.41 -0.16 -5.99 3.86 -1.59 -0.40 115.15 111.28 1s4f h HIS 374 Ca 0.00 0.01 -0.09 0.00 -1.16 0.00 0.00 60.37 59.12 1s4f h HIS 374 Cb 0.19 -0.14 0.00 0.00 1.06 0.00 0.00 27.41 28.52 1s4f h HIS 374 CO 0.00 0.27 -0.27 -0.22 0.86 0.00 0.00 177.93 178.56 1s4f h LYS 375 N 0.44 0.46 -0.19 2.45 3.64 -1.82 0.36 116.57 121.91 1s4f h LYS 375 Ca 0.12 -0.29 0.03 0.00 -1.27 0.00 0.00 60.65 59.24 1s4f h LYS 375 Cb -0.04 0.03 -0.06 0.00 -0.41 0.00 0.00 32.23 31.75 1s4f h LYS 375 CO -0.02 0.89 -0.47 0.35 -2.27 0.00 0.00 179.45 177.92 1s4f h PHE 376 N 0.08 -1.43 -0.05 1.91 3.57 -1.39 0.53 116.94 120.16 1s4f h PHE 376 Ca 0.01 0.06 0.04 0.00 3.53 0.00 0.00 57.97 61.61 1s4f h PHE 376 Cb 0.86 0.65 -0.05 0.00 2.79 0.00 0.00 35.95 40.19 1s4f h PHE 376 CO 0.10 -0.46 -0.30 0.82 -2.23 0.00 0.00 178.31 176.24 1s4f h ILE 377 N -0.45 0.33 -0.78 1.41 2.04 -1.02 -0.46 117.51 118.58 1s4f h ILE 377 Ca 0.04 0.00 0.17 0.00 1.00 0.00 0.00 64.86 66.06 1s4f h ILE 377 Cb 0.57 0.33 -0.05 0.00 -0.74 0.00 0.00 36.82 36.93 1s4f h ILE 377 CO -0.42 0.00 0.52 0.44 0.00 0.00 0.00 178.15 178.69 1s4f h ASP 378 N -0.42 0.35 0.38 1.72 5.19 0.47 0.12 116.42 124.23 1s4f h ASP 378 Ca 0.08 0.02 -0.02 0.00 -0.62 0.00 0.00 57.03 56.49 1s4f h ASP 378 Cb 0.53 -0.04 0.00 0.00 0.18 0.00 0.00 39.33 40.00 1s4f h ASP 378 CO -0.29 0.17 -0.18 0.74 -3.12 0.00 0.00 179.24 176.56 1s4f h THR 379 N 0.37 0.00 -0.43 0.35 2.02 0.11 -1.53 112.91 113.81 1s4f h THR 379 Ca 0.39 -0.59 0.12 0.00 0.77 0.00 0.00 66.41 67.10 1s4f h THR 379 Cb 0.97 0.00 -0.02 0.00 -1.74 0.00 0.00 68.15 67.36 1s4f h THR 379 CO -0.12 0.00 0.42 -0.29 0.37 0.00 0.00 175.52 175.90 1s4f h ILE 380 N -1.10 0.44 0.05 3.11 2.10 -0.87 0.11 117.51 121.35 1s4f h ILE 380 Ca -0.05 0.00 -0.27 0.00 1.08 0.00 0.00 64.86 65.62 1s4f h ILE 380 Cb 0.39 0.67 -0.02 0.00 -1.09 0.00 0.00 36.82 36.77 1s4f h ILE 380 CO 0.09 0.00 -1.36 0.74 -1.08 0.00 0.00 178.15 176.54 1s4f h THR 381 N 0.00 1.31 -0.21 2.19 2.02 -0.98 -3.25 112.91 113.99 1s4f h THR 381 Ca 0.20 -3.03 -0.06 0.00 0.77 0.00 0.00 66.41 64.29 1s4f h THR 381 Cb 1.04 2.73 -0.01 0.00 -1.74 0.00 0.00 68.15 70.17 1s4f h THR 381 CO -0.00 0.81 -0.12 -0.78 0.37 0.00 0.00 175.52 175.79 1s4f h ASP 382 N 0.03 0.48 -0.90 4.18 -0.00 0.28 -3.13 116.42 117.36 1s4f h ASP 382 Ca -0.16 -0.42 0.11 0.00 -0.00 0.00 0.00 57.03 56.56 1s4f h ASP 382 Cb 1.92 -0.13 -0.07 0.00 -0.00 0.00 0.00 39.33 41.05 1s4f h ASP 382 CO 0.13 0.79 0.58 0.45 -0.00 0.00 0.00 179.24 181.20 1s4f h HIS 383 N 0.16 0.93 0.00 0.28 3.86 -1.52 -1.67 115.15 117.19 1s4f h HIS 383 Ca 0.05 0.03 0.00 0.00 -1.16 0.00 0.00 60.37 59.28 1s4f h HIS 383 Cb 0.62 -0.30 0.00 0.00 1.06 0.00 0.00 27.41 28.80 1s4f h HIS 383 CO 0.07 0.39 0.00 -1.33 0.86 0.00 0.00 177.93 177.92 1s4f n MET 384 N -4.55 0.08 0.20 2.45 2.81 -1.18 -2.88 117.12 114.06 1s4f n MET 384 Ca 0.16 0.14 0.15 0.00 -1.81 0.00 0.00 57.70 56.33 1s4f n MET 384 Cb 0.36 -1.50 0.56 0.00 -0.71 0.00 0.00 33.22 31.94 1s4f n MET 384 CO 0.00 0.00 0.00 1.15 1.51 0.00 0.00 175.97 178.63 1s4f h THR 385 N 0.00 0.00 -1.00 2.03 2.02 -1.32 -3.38 112.91 111.26 1s4f h THR 385 Ca 0.00 -0.41 0.01 0.00 0.77 0.00 0.00 66.41 66.78 1s4f h THR 385 Cb 0.30 1.30 -0.21 0.00 -1.74 0.00 0.00 68.15 67.80 1s4f h THR 385 CO 0.00 0.00 -0.39 -0.70 0.37 0.00 0.00 175.52 174.80 1s4f s GLU 386 N -3.46 0.61 -0.20 6.66 2.12 -1.14 -1.24 118.70 122.05 1s4f s GLU 386 Ca 0.03 0.38 -0.09 0.00 0.36 0.00 0.00 54.97 55.66 1s4f s GLU 386 Cb 0.09 0.22 -0.04 0.00 0.26 0.00 0.00 34.13 34.66 1s4f s GLU 386 CO 0.49 -1.07 0.09 0.08 -0.54 0.00 0.00 175.26 174.31 1s4f s VAL 387 N 2.63 5.02 -0.24 3.70 1.01 -0.75 -4.92 120.40 126.85 1s4f s VAL 387 Ca 0.11 0.05 -0.29 0.00 0.00 0.00 0.00 61.98 61.86 1s4f s VAL 387 Cb -0.09 -3.28 0.01 0.00 0.00 0.00 0.00 36.38 33.02 1s4f s VAL 387 CO -0.22 0.44 1.04 -2.84 0.00 0.00 0.00 175.10 173.51 1s4f s PRO 388 N 0.48 4.24 -0.05 2.72 0.02 -1.26 -1.71 135.00 139.44 1s4f s PRO 388 Ca 0.05 1.31 0.00 0.00 0.02 0.00 0.00 61.00 62.39 1s4f s PRO 388 Cb -0.12 -3.65 -0.03 0.00 0.02 0.00 0.00 34.50 30.71 1s4f s PRO 388 CO 0.00 -0.66 -0.03 0.08 -0.33 0.00 0.00 177.00 176.07 1s4f s VAL 389 N 3.24 4.00 -0.25 3.83 1.01 0.18 -1.89 120.40 130.53 1s4f s VAL 389 Ca 0.44 -0.48 -0.01 0.00 0.00 0.00 0.00 61.98 61.93 1s4f s VAL 389 Cb -0.15 -2.70 0.03 0.00 0.00 0.00 0.00 36.38 33.56 1s4f s VAL 389 CO 0.07 0.52 -0.07 -0.63 0.00 0.00 0.00 175.10 174.99 1s4f s ILE 390 N -0.93 2.77 0.79 2.22 1.01 0.00 -0.55 121.20 126.51 1s4f s ILE 390 Ca 0.15 -1.08 -0.11 0.00 0.00 0.00 0.00 60.65 59.61 1s4f s ILE 390 Cb -0.11 -2.42 0.06 0.00 0.01 0.00 0.00 42.46 40.01 1s4f s ILE 390 CO 0.05 0.19 1.09 0.42 0.00 0.00 0.00 174.94 176.69 1s4f s THR 391 N 1.30 3.22 0.35 2.92 -4.23 0.15 -1.23 115.64 118.12 1s4f s THR 391 Ca -0.00 0.40 0.04 0.00 -1.18 0.00 0.00 61.69 60.94 1s4f s THR 391 Cb -0.17 -3.10 0.21 0.00 1.34 0.00 0.00 72.50 70.78 1s4f s THR 391 CO -0.05 -0.52 1.95 0.00 -0.54 0.00 0.00 174.62 175.46 1s4f h ALA 392 N -1.07 1.47 0.00 3.99 0.00 -1.67 -1.20 119.26 120.78 1s4f h ALA 392 Ca -0.46 -0.12 0.00 0.00 0.00 0.00 0.00 54.91 54.32 1s4f h ALA 392 Cb 1.26 -0.19 0.00 0.00 0.00 0.00 0.00 17.79 18.86 1s4f h ALA 392 CO 0.58 0.41 0.00 -0.40 0.00 0.00 0.00 179.25 179.84 1s4f n ASP 393 N -4.37 0.21 0.00 0.00 5.75 -1.26 -4.88 116.55 112.00 1s4f n ASP 393 Ca 0.03 0.54 0.00 0.00 -0.01 0.00 0.00 54.79 55.35 1s4f n ASP 393 Cb 0.15 -0.59 0.00 0.00 -1.03 0.00 0.00 41.12 39.65 1s4f n ASP 393 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1s4f n GLY 394 N 0.48 2.12 3.69 6.12 0.00 -0.45 -5.09 105.19 112.06 1s4f n GLY 394 Ca 0.04 0.00 -0.44 0.00 0.00 0.00 0.00 46.02 45.62 1s4f n GLY 394 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1s4f n GLU 395 N -0.31 2.16 -4.37 1.61 -0.58 -1.26 -4.59 120.64 113.30 1s4f n GLU 395 Ca 0.00 0.77 -0.34 0.00 -0.42 0.00 0.00 57.16 57.17 1s4f n GLU 395 Cb 0.00 -2.43 -0.15 0.00 -0.57 0.00 0.00 31.44 28.29 1s4f n GLU 395 CO 0.00 0.00 0.00 0.08 -0.48 0.00 0.00 177.13 176.73 1s4f s VAL 396 N -0.24 2.89 0.22 2.62 1.01 -1.26 0.31 120.40 125.96 1s4f s VAL 396 Ca 0.65 -0.68 0.08 0.00 0.00 0.00 0.00 61.98 62.03 1s4f s VAL 396 Cb -0.61 -2.25 -0.05 0.00 0.00 0.00 0.00 36.38 33.47 1s4f s VAL 396 CO 0.52 0.49 -0.14 -0.72 0.00 0.00 0.00 175.10 175.25 1s4f s TYR 397 N 0.94 1.81 -0.60 5.22 -0.85 0.29 -4.96 117.35 119.19 1s4f s TYR 397 Ca -0.02 -0.55 -0.04 0.00 -0.52 0.00 0.00 57.07 55.94 1s4f s TYR 397 Cb -0.15 -0.85 0.16 0.00 0.38 0.00 0.00 41.96 41.50 1s4f s TYR 397 CO -0.01 0.40 0.42 0.42 -1.52 0.00 0.00 175.55 175.26 1s4f s ILE 398 N -2.91 3.78 0.04 -3.49 1.09 -1.26 0.52 121.20 118.96 1s4f s ILE 398 Ca 0.24 -2.77 -0.31 0.00 -1.10 0.00 0.00 60.65 56.72 1s4f s ILE 398 Cb -0.01 -3.47 -0.06 0.00 -1.06 0.00 0.00 42.46 37.86 1s4f s ILE 398 CO 0.08 -0.86 1.33 -0.60 -0.10 0.00 0.00 174.94 174.79 1s4f s ARG 399 N 0.17 4.34 -1.30 2.79 3.52 -0.69 -4.92 118.95 122.85 1s4f s ARG 399 Ca 0.15 1.92 -0.12 0.00 -0.13 0.00 0.00 55.73 57.55 1s4f s ARG 399 Cb -0.20 -3.43 0.13 0.00 -1.56 0.00 0.00 34.95 29.89 1s4f s ARG 399 CO -0.04 -0.45 1.80 0.09 -0.81 0.00 0.00 175.30 175.90 1s4f n ASN 400 N 4.63 4.90 -1.97 -2.12 3.02 -1.26 -1.82 115.26 120.63 1s4f n ASN 400 Ca 0.11 -3.01 0.00 0.00 -0.03 0.00 0.00 54.58 51.66 1s4f n ASN 400 Cb 0.44 -1.57 0.00 0.00 -0.61 0.00 0.00 39.78 38.04 1s4f n ASN 400 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1s4f n GLY 401 N 3.69 -2.34 0.00 7.41 0.00 -0.37 -4.72 105.19 108.86 1s4f n GLY 401 Ca 0.42 -0.02 0.00 0.00 0.00 0.00 0.00 46.02 46.43 1s4f n GLY 401 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 1s4f n GLN 402 N 1.83 0.00 -3.59 1.61 6.02 -1.24 -4.45 117.38 117.57 1s4f n GLN 402 Ca 0.00 0.00 -0.38 0.00 -0.01 0.00 0.00 57.00 56.61 1s4f n GLN 402 Cb 0.00 0.00 -0.11 0.00 1.02 0.00 0.00 30.24 31.15 1s4f n GLN 402 CO 0.00 0.00 0.00 0.50 -1.01 0.00 0.00 177.06 176.55 1s4f s ARG 403 N -1.33 3.83 -0.63 -1.09 6.06 -0.18 -4.96 118.95 120.66 1s4f s ARG 403 Ca 0.00 -0.40 -0.25 0.00 -2.50 0.00 0.00 55.73 52.58 1s4f s ARG 403 Cb 0.00 -3.67 0.04 0.00 0.06 0.00 0.00 34.95 31.38 1s4f s ARG 403 CO 0.00 -0.24 1.07 0.20 -2.50 0.00 0.00 175.30 173.83 1s4f s GLY 404 N 1.74 1.23 0.45 8.12 0.00 -1.26 -4.76 107.32 112.85 1s4f s GLY 404 Ca 0.07 -1.36 0.32 0.00 0.00 0.00 0.00 44.72 43.74 1s4f s GLY 404 CO 0.11 2.26 1.13 -1.14 0.00 0.00 0.00 173.10 175.46 1s4f n SER 405 N 8.12 0.00 0.02 1.64 3.41 -1.22 0.16 113.62 125.75 1s4f n SER 405 Ca 0.02 0.70 0.13 0.00 -0.26 0.00 0.00 58.87 59.45 1s4f n SER 405 Cb 0.48 -0.31 0.35 0.00 -0.26 0.00 0.00 64.21 64.46 1s4f n SER 405 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1s4f n GLY 406 N -1.63 -1.40 3.73 5.00 0.00 0.02 -4.85 105.19 106.05 1s4f n GLY 406 Ca 0.28 -0.23 -0.41 0.00 0.00 0.00 0.00 46.02 45.66 1s4f n GLY 406 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 1s4f n GLN 407 N -1.72 2.27 -0.21 1.61 6.02 0.41 -4.57 117.38 121.20 1s4f n GLN 407 Ca 0.05 0.80 0.09 0.00 -0.01 0.00 0.00 57.00 57.93 1s4f n GLN 407 Cb 0.37 -2.49 0.37 0.00 1.02 0.00 0.00 30.24 29.52 1s4f n GLN 407 CO 0.00 0.00 0.00 -1.35 -1.01 0.00 0.00 177.06 174.70 1s4f h PRO 408 N 2.53 0.69 0.00 -1.09 0.11 -1.91 -2.26 132.00 130.07 1s4f h PRO 408 Ca -0.49 -0.04 0.00 0.00 0.11 0.00 0.00 66.00 65.58 1s4f h PRO 408 Cb 1.27 -0.16 0.00 0.00 0.11 0.00 0.00 31.00 32.23 1s4f h PRO 408 CO 0.62 0.46 0.00 -3.47 -0.21 0.00 0.00 178.00 175.40 1s4f n ASP 409 N -4.51 0.30 -0.07 -2.05 2.03 -1.26 -4.51 116.55 106.48 1s4f n ASP 409 Ca 0.13 0.53 -0.02 0.00 0.52 0.00 0.00 54.79 55.96 1s4f n ASP 409 Cb 0.33 -0.61 -0.02 0.00 -0.72 0.00 0.00 41.12 40.11 1s4f n ASP 409 CO 0.00 0.00 0.00 0.41 -1.92 0.00 0.00 177.20 175.69 1s4f n THR 410 N -1.78 -0.11 0.04 5.18 -1.04 -0.85 0.11 114.28 115.82 1s4f n THR 410 Ca 0.06 1.04 -0.07 0.00 -2.04 0.00 0.00 64.05 63.04 1s4f n THR 410 Cb 0.36 -1.35 -0.04 0.00 -1.82 0.00 0.00 70.33 67.47 1s4f n THR 410 CO 0.00 0.00 0.00 -1.28 -0.64 0.00 0.00 175.07 173.15 1s4f h SER 411 N 0.00 -0.72 0.73 8.00 0.87 -1.84 0.30 113.55 120.88 1s4f h SER 411 Ca 0.03 0.08 -0.03 0.00 -1.23 0.00 0.00 61.79 60.63 1s4f h SER 411 Cb 0.07 0.27 -0.00 0.00 -0.44 0.00 0.00 62.40 62.30 1s4f h SER 411 CO -0.16 -0.24 -0.42 0.00 -0.53 0.00 0.00 176.83 175.48 1s4f h ALA 412 N -1.07 -1.10 -0.92 6.23 0.00 -1.69 0.69 119.26 121.40 1s4f h ALA 412 Ca 0.00 -0.22 0.23 0.00 0.00 0.00 0.00 54.91 54.92 1s4f h ALA 412 Cb 0.33 0.51 -0.17 0.00 0.00 0.00 0.00 17.79 18.46 1s4f h ALA 412 CO -0.14 -1.13 -0.02 0.78 0.00 0.00 0.00 179.25 178.74 1s4f h GLY 413 N -1.07 1.05 0.26 0.00 0.00 0.78 -0.87 103.07 103.22 1s4f h GLY 413 Ca -0.09 0.17 -0.01 0.00 0.00 0.00 0.00 47.33 47.39 1s4f h GLY 413 CO 0.11 -0.43 -0.11 3.43 0.00 0.00 0.00 176.54 179.54 1s4f h ASN 414 N 0.04 -0.26 -0.87 0.19 2.35 -0.06 -2.72 115.58 114.23 1s4f h ASN 414 Ca 0.53 -0.08 0.16 0.00 -0.55 0.00 0.00 56.30 56.36 1s4f h ASN 414 Cb 1.00 0.07 -0.16 0.00 0.05 0.00 0.00 38.32 39.28 1s4f h ASN 414 CO -0.87 0.23 -0.28 0.28 -1.65 0.00 0.00 177.43 175.15 1s4f h SER 415 N -1.05 -1.01 0.00 5.81 0.02 -0.57 0.81 113.55 117.56 1s4f h SER 415 Ca -0.03 0.27 0.00 0.00 -0.84 0.00 0.00 61.79 61.19 1s4f h SER 415 Cb 0.33 0.60 0.00 0.00 0.14 0.00 0.00 62.40 63.47 1s4f h SER 415 CO 0.05 -0.29 0.00 0.80 -1.14 0.00 0.00 176.83 176.25 1s4f n MET 416 N -5.53 0.00 -0.46 3.45 0.00 -0.36 -0.66 117.12 113.56 1s4f n MET 416 Ca 0.11 0.54 0.40 0.00 -0.00 0.00 0.00 57.70 58.75 1s4f n MET 416 Cb 0.43 -1.43 0.72 0.00 0.00 0.00 0.00 33.22 32.95 1s4f n MET 416 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 175.97 177.22 1s4f h LEU 417 N 0.00 0.10 0.21 -0.89 5.85 -1.04 0.83 115.31 120.37 1s4f h LEU 417 Ca 0.00 0.04 -0.01 0.00 0.84 0.00 0.00 57.88 58.75 1s4f h LEU 417 Cb 0.00 0.03 0.00 0.00 0.37 0.00 0.00 40.66 41.06 1s4f h LEU 417 CO 0.00 -0.03 -0.10 -1.13 -0.34 0.00 0.00 178.44 176.84 1s4f h ASN 418 N 0.06 -0.24 -0.90 1.25 -1.24 0.12 -1.90 115.58 112.73 1s4f h ASN 418 Ca 0.74 -0.29 0.01 0.00 0.71 0.00 0.00 56.30 57.46 1s4f h ASN 418 Cb 2.70 0.06 -0.04 0.00 0.73 0.00 0.00 38.32 41.77 1s4f h ASN 418 CO -0.13 0.24 0.60 -0.37 -1.29 0.00 0.00 177.43 176.48 1s4f h VAL 419 N -0.81 1.23 -0.04 2.57 -1.51 0.14 0.13 116.25 117.96 1s4f h VAL 419 Ca -0.03 -0.43 0.01 0.00 -1.23 0.00 0.00 66.70 65.01 1s4f h VAL 419 Cb 0.51 -0.09 -0.01 0.00 -2.13 0.00 0.00 31.29 29.57 1s4f h VAL 419 CO 0.05 0.23 0.00 -0.07 -1.23 0.00 0.00 177.57 176.55 1s4f h LEU 420 N 1.23 -0.01 -0.35 4.19 3.38 -1.20 0.18 115.31 122.73 1s4f h LEU 420 Ca 0.33 0.01 -0.00 0.00 0.09 0.00 0.00 57.88 58.30 1s4f h LEU 420 Cb -0.14 0.01 -0.02 0.00 0.09 0.00 0.00 40.66 40.61 1s4f h LEU 420 CO -0.07 0.00 0.20 0.74 0.09 0.00 0.00 178.44 179.40 1s4f h THR 421 N 0.02 1.13 0.08 0.22 2.02 -0.91 0.01 112.91 115.48 1s4f h THR 421 Ca 0.02 -0.30 0.00 0.00 0.77 0.00 0.00 66.41 66.90 1s4f h THR 421 Cb 0.02 0.70 -0.01 0.00 -1.74 0.00 0.00 68.15 67.12 1s4f h THR 421 CO -0.03 0.13 -0.08 0.24 0.37 0.00 0.00 175.52 176.15 1s4f h MET 422 N 0.45 -0.17 -0.07 6.66 2.86 -0.53 0.41 114.93 124.53 1s4f h MET 422 Ca 0.12 0.01 0.03 0.00 -2.06 0.00 0.00 59.70 57.81 1s4f h MET 422 Cb 0.03 0.04 -0.04 0.00 0.06 0.00 0.00 31.60 31.68 1s4f h MET 422 CO -0.02 -0.11 -0.15 0.52 1.06 0.00 0.00 176.91 178.21 1s4f h MET 423 N -0.17 -0.20 -0.36 1.72 2.07 -0.52 0.22 114.93 117.69 1s4f h MET 423 Ca 0.00 0.01 0.08 0.00 -2.07 0.00 0.00 59.70 57.72 1s4f h MET 423 Cb 0.17 0.05 -0.08 0.00 -1.87 0.00 0.00 31.60 29.86 1s4f h MET 423 CO -0.02 -0.13 -0.19 -0.92 1.07 0.00 0.00 176.91 176.72 1s4f h TYR 424 N -0.21 -0.48 -0.70 -0.22 3.20 -0.68 -0.69 116.97 117.20 1s4f h TYR 424 Ca 0.07 0.04 0.02 0.00 3.14 0.00 0.00 58.73 62.01 1s4f h TYR 424 Cb 0.31 0.27 -0.04 0.00 1.54 0.00 0.00 36.73 38.81 1s4f h TYR 424 CO -0.24 -0.27 0.45 0.00 -1.64 0.00 0.00 178.16 176.47 1s4f h ALA 425 N 1.10 0.91 0.75 1.82 0.00 0.67 -1.22 119.26 123.29 1s4f h ALA 425 Ca 0.18 -0.03 -0.03 0.00 0.00 0.00 0.00 54.91 55.02 1s4f h ALA 425 Cb 0.41 -0.25 -0.01 0.00 0.00 0.00 0.00 17.79 17.94 1s4f h ALA 425 CO -0.44 0.26 -0.50 0.35 0.00 0.00 0.00 179.25 178.92 1s4f h PHE 426 N 0.91 -1.34 -0.45 0.00 3.57 0.37 -2.10 116.94 117.89 1s4f h PHE 426 Ca 0.27 -0.01 0.09 0.00 3.53 0.00 0.00 57.97 61.85 1s4f h PHE 426 Cb -0.04 0.49 -0.08 0.00 2.79 0.00 0.00 35.95 39.11 1s4f h PHE 426 CO -0.03 -0.73 -0.02 0.00 -2.23 0.00 0.00 178.31 175.29 1s4f n GLU 428 N -5.24 0.12 -0.08 0.00 -0.58 -0.47 -0.69 120.64 113.70 1s4f n GLU 428 Ca 0.04 0.55 -0.14 0.00 -0.42 0.00 0.00 57.16 57.18 1s4f n GLU 428 Cb 0.24 -1.83 -0.14 0.00 -0.57 0.00 0.00 31.44 29.14 1s4f n GLU 428 CO 0.00 0.00 0.00 0.43 -0.48 0.00 0.00 177.13 177.08 1s4f n SER 429 N -2.07 1.18 -0.11 1.62 7.64 0.13 -4.70 113.62 117.31 1s4f n SER 429 Ca -0.00 0.07 -0.24 0.00 1.01 0.00 0.00 58.87 59.71 1s4f n SER 429 Cb 0.07 0.02 -0.11 0.00 -1.01 0.00 0.00 64.21 63.18 1s4f n SER 429 CO 0.00 0.00 0.00 0.35 -3.01 0.00 0.00 175.04 172.38 1s4f n THR 430 N -3.10 1.56 0.00 0.44 -2.24 -0.02 -4.75 114.28 106.17 1s4f n THR 430 Ca -0.34 -0.38 0.00 0.00 -2.27 0.00 0.00 64.05 61.06 1s4f n THR 430 Cb 1.07 -1.80 0.00 0.00 -2.10 0.00 0.00 70.33 67.49 1s4f n THR 430 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1s4f n GLY 431 N 1.63 1.57 3.67 3.38 0.00 0.14 -5.08 105.19 110.49 1s4f n GLY 431 Ca -0.43 0.00 -0.44 0.00 0.00 0.00 0.00 46.02 45.15 1s4f n GLY 431 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 1s4f n VAL 432 N 0.00 1.60 -2.60 1.61 0.31 -1.24 -4.95 118.33 113.05 1s4f n VAL 432 Ca 0.00 -0.40 -0.34 0.00 -0.01 0.00 0.00 64.34 63.59 1s4f n VAL 432 Cb 0.00 -1.46 -0.04 0.00 -0.91 0.00 0.00 33.84 31.43 1s4f n VAL 432 CO 0.00 0.00 0.00 -2.84 -1.32 0.00 0.00 176.83 172.67 1s4f s PRO 433 N -1.27 3.94 0.23 5.55 0.02 -1.26 -4.59 135.00 137.61 1s4f s PRO 433 Ca 0.61 1.34 -0.07 0.00 0.02 0.00 0.00 61.00 62.90 1s4f s PRO 433 Cb -0.62 -2.18 0.34 0.00 0.02 0.00 0.00 34.50 32.05 1s4f s PRO 433 CO 0.57 -0.31 1.78 1.88 -0.33 0.00 0.00 177.00 180.60 1s4f h TYR 434 N 1.78 0.67 0.00 6.54 0.05 -1.97 -0.19 116.97 123.85 1s4f h TYR 434 Ca -0.49 0.03 0.00 0.00 0.05 0.00 0.00 58.73 58.32 1s4f h TYR 434 Cb 1.21 -0.19 0.00 0.00 1.01 0.00 0.00 36.73 38.76 1s4f h TYR 434 CO 0.58 0.25 0.00 1.57 -1.05 0.00 0.00 178.16 179.51 1s4f h LYS 435 N 0.63 0.00 -0.26 4.88 -0.00 -1.93 -2.90 116.57 117.00 1s4f h LYS 435 Ca 0.35 0.00 0.00 0.00 -0.00 0.00 0.00 60.65 61.00 1s4f h LYS 435 Cb 0.35 0.00 0.00 0.00 -0.00 0.00 0.00 32.23 32.58 1s4f h LYS 435 CO -0.26 0.00 0.00 0.43 -0.00 0.00 0.00 179.45 179.62 1s4f n SER 436 N -2.57 2.91 0.19 7.07 7.64 -0.10 -4.59 113.62 124.16 1s4f n SER 436 Ca 0.01 -1.91 -0.15 0.00 1.01 0.00 0.00 58.87 57.83 1s4f n SER 436 Cb 0.24 -0.16 -0.07 0.00 -1.01 0.00 0.00 64.21 63.20 1s4f n SER 436 CO 0.00 0.00 0.00 0.15 -3.01 0.00 0.00 175.04 172.18 1s4f h PHE 437 N 3.93 -1.03 0.00 1.43 3.57 -1.29 -1.44 116.94 122.11 1s4f h PHE 437 Ca 0.00 0.01 0.00 0.00 3.53 0.00 0.00 57.97 61.51 1s4f h PHE 437 Cb 0.86 0.41 0.00 0.00 2.79 0.00 0.00 35.95 40.01 1s4f h PHE 437 CO 0.16 -0.51 0.00 -1.71 -2.23 0.00 0.00 178.31 174.03 1s4f n ASN 438 N -5.46 0.00 -0.02 0.41 2.85 -1.26 -1.63 115.26 110.15 1s4f n ASN 438 Ca -0.09 -0.55 0.03 0.00 -0.11 0.00 0.00 54.58 53.87 1s4f n ASN 438 Cb 0.37 0.00 -0.14 0.00 1.24 0.00 0.00 39.78 41.25 1s4f n ASN 438 CO 0.00 0.00 0.00 0.54 -2.11 0.00 0.00 177.26 175.69 1s4f n ARG 439 N -0.73 0.66 0.00 1.20 5.12 -0.55 -4.50 116.66 117.85 1s4f n ARG 439 Ca 0.04 -0.04 0.00 0.00 -1.93 0.00 0.00 57.85 55.91 1s4f n ARG 439 Cb 0.02 -1.60 0.00 0.00 -1.16 0.00 0.00 32.46 29.72 1s4f n ARG 439 CO 0.00 0.00 0.00 1.33 -1.93 0.00 0.00 177.63 177.03 1s4f n VAL 440 N -2.54 0.00 -3.57 1.55 0.24 -0.68 -5.07 118.33 108.26 1s4f n VAL 440 Ca -0.13 -0.47 -0.16 0.00 -2.04 0.00 0.00 64.34 61.55 1s4f n VAL 440 Cb 0.78 1.01 -0.06 0.00 -1.47 0.00 0.00 33.84 34.10 1s4f n VAL 440 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 1s4f s ALA 441 N -0.83 -1.47 -0.10 2.33 0.00 -0.65 -4.10 121.76 116.95 1s4f s ALA 441 Ca 0.00 0.88 0.02 0.00 0.00 0.00 0.00 51.96 52.86 1s4f s ALA 441 Cb 0.00 0.19 -0.01 0.00 0.00 0.00 0.00 23.12 23.30 1s4f s ALA 441 CO 0.00 -0.42 -0.17 1.03 0.00 0.00 0.00 175.76 176.20 1s4f s ARG 442 N -1.79 3.06 0.25 0.00 1.81 0.26 -4.05 118.95 118.49 1s4f s ARG 442 Ca -0.09 -0.75 0.08 0.00 -1.72 0.00 0.00 55.73 53.25 1s4f s ARG 442 Cb -0.01 -2.46 -0.04 0.00 -0.45 0.00 0.00 34.95 31.99 1s4f s ARG 442 CO 0.04 0.30 0.08 -1.50 -0.68 0.00 0.00 175.30 173.54 1s4f s ILE 443 N 0.09 3.90 -0.11 1.52 2.07 -1.26 0.21 121.20 127.63 1s4f s ILE 443 Ca -0.08 -1.64 -0.07 0.00 -1.41 0.00 0.00 60.65 57.46 1s4f s ILE 443 Cb -0.15 -3.08 0.04 0.00 0.13 0.00 0.00 42.46 39.40 1s4f s ILE 443 CO 0.05 -0.33 0.27 -1.00 -1.91 0.00 0.00 174.94 172.02 1s4f s HIS 444 N -2.17 -0.34 -0.03 3.50 3.76 -0.50 -4.18 115.29 115.33 1s4f s HIS 444 Ca 0.32 0.81 0.00 0.00 -0.15 0.00 0.00 55.06 56.04 1s4f s HIS 444 Cb -0.07 0.09 0.03 0.00 1.11 0.00 0.00 32.58 33.73 1s4f s HIS 444 CO 0.22 -0.21 0.01 0.54 -0.85 0.00 0.00 174.74 174.45 1s4f s VAL 445 N 0.91 0.08 -0.75 -0.90 0.11 -0.01 -1.60 120.40 118.25 1s4f s VAL 445 Ca -0.06 0.15 0.03 0.00 -2.93 0.00 0.00 61.98 59.17 1s4f s VAL 445 Cb -0.07 -0.20 0.30 0.00 -1.53 0.00 0.00 36.38 34.87 1s4f s VAL 445 CO -0.06 0.13 1.09 0.00 -3.33 0.00 0.00 175.10 172.93 1s4f n GLY 447 N 0.43 1.82 0.01 0.00 0.00 -1.26 -2.78 105.19 103.41 1s4f n GLY 447 Ca 0.32 -0.52 0.11 0.00 0.00 0.00 0.00 46.02 45.93 1s4f n GLY 447 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 1s4f n ASP 448 N 7.70 0.69 -4.87 1.61 5.75 -1.26 -3.21 116.55 122.97 1s4f n ASP 448 Ca 0.00 -0.51 -0.34 0.00 -0.01 0.00 0.00 54.79 53.93 1s4f n ASP 448 Cb 0.00 0.62 -0.05 0.00 -1.03 0.00 0.00 41.12 40.66 1s4f n ASP 448 CO 0.00 0.00 0.00 -0.62 -0.11 0.00 0.00 177.20 176.47 1s4f s ASP 449 N -3.18 6.60 0.00 -1.12 -1.08 -1.12 -4.70 116.67 112.08 1s4f s ASP 449 Ca 0.09 0.74 0.00 0.00 -0.52 0.00 0.00 52.55 52.85 1s4f s ASP 449 Cb 0.16 -2.16 0.00 0.00 -1.46 0.00 0.00 42.92 39.47 1s4f s ASP 449 CO 0.78 0.17 0.00 0.61 0.52 0.00 0.00 175.17 177.25 1s4f n GLY 450 N 0.86 -0.40 3.64 2.66 0.00 -1.26 0.20 105.19 110.89 1s4f n GLY 450 Ca -0.08 -1.11 -0.12 0.00 0.00 0.00 0.00 46.02 44.71 1s4f n GLY 450 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 1s4f s PHE 451 N -2.00 0.58 -0.01 1.61 -0.71 -0.62 0.45 117.98 117.26 1s4f s PHE 451 Ca 0.00 -1.01 -0.05 0.00 -1.04 0.00 0.00 56.93 54.83 1s4f s PHE 451 Cb 0.00 0.35 0.00 0.00 -1.21 0.00 0.00 43.02 42.16 1s4f s PHE 451 CO 0.00 -1.31 0.10 -1.17 -1.34 0.00 0.00 175.22 171.50 1s4f s LEU 452 N -3.14 1.67 -0.06 -1.99 0.20 0.11 -1.41 118.68 114.05 1s4f s LEU 452 Ca 0.23 -0.07 0.01 0.00 0.69 0.00 0.00 54.13 54.98 1s4f s LEU 452 Cb -0.03 0.47 -0.03 0.00 -0.43 0.00 0.00 46.19 46.17 1s4f s LEU 452 CO 0.15 -0.22 -0.05 -0.63 -0.29 0.00 0.00 176.35 175.31 1s4f s ILE 453 N -0.79 3.86 0.16 6.68 1.01 0.13 -0.67 121.20 131.59 1s4f s ILE 453 Ca -0.09 -0.46 -0.23 0.00 0.00 0.00 0.00 60.65 59.87 1s4f s ILE 453 Cb -0.05 -2.61 0.08 0.00 0.01 0.00 0.00 42.46 39.89 1s4f s ILE 453 CO 0.01 0.57 1.06 0.28 0.00 0.00 0.00 174.94 176.85 1s4f s THR 454 N -0.86 0.00 0.37 2.92 -1.32 -0.64 -0.57 115.64 115.54 1s4f s THR 454 Ca 0.13 -0.55 -0.26 0.00 -1.21 0.00 0.00 61.69 59.80 1s4f s THR 454 Cb -0.11 -2.82 -0.09 0.00 -1.51 0.00 0.00 72.50 67.97 1s4f s THR 454 CO 0.03 0.00 1.16 -1.61 -2.21 0.00 0.00 174.62 171.99 1s4f s GLU 455 N -2.23 4.20 0.50 7.08 0.41 -1.26 -0.78 118.70 126.62 1s4f s GLU 455 Ca 0.22 1.84 0.32 0.00 -0.41 0.00 0.00 54.97 56.94 1s4f s GLU 455 Cb -0.02 -2.79 1.43 0.00 -1.78 0.00 0.00 34.13 30.97 1s4f s GLU 455 CO 0.04 -0.20 1.78 -0.22 -0.49 0.00 0.00 175.26 176.18 1s4f h LYS 456 N 2.90 0.11 0.27 1.61 3.64 -1.14 0.19 116.57 124.14 1s4f h LYS 456 Ca -0.48 -0.01 -0.01 0.00 -1.27 0.00 0.00 60.65 58.88 1s4f h LYS 456 Cb 1.23 -0.02 -0.00 0.00 -0.41 0.00 0.00 32.23 33.02 1s4f h LYS 456 CO 0.64 0.07 -0.19 0.78 -2.27 0.00 0.00 179.45 178.48 1s4f h GLY 457 N 0.11 -0.76 1.52 5.01 0.00 -1.89 -2.93 103.07 104.13 1s4f h GLY 457 Ca 0.60 0.32 -0.09 0.00 0.00 0.00 0.00 47.33 48.16 1s4f h GLY 457 CO -0.11 -0.26 -0.21 1.41 0.00 0.00 0.00 176.54 177.37 1s4f h LEU 458 N -0.44 0.56 -0.13 3.11 3.38 -1.64 -3.21 115.31 116.93 1s4f h LEU 458 Ca -0.04 -0.18 0.05 0.00 0.09 0.00 0.00 57.88 57.80 1s4f h LEU 458 Cb 0.36 -0.15 -0.06 0.00 0.09 0.00 0.00 40.66 40.89 1s4f h LEU 458 CO 0.02 0.77 -0.34 1.23 0.09 0.00 0.00 178.44 180.21 1s4f h GLY 459 N 0.99 -0.49 1.61 0.83 0.00 -0.67 -1.15 103.07 104.18 1s4f h GLY 459 Ca 0.08 0.42 -0.03 0.00 0.00 0.00 0.00 47.33 47.80 1s4f h GLY 459 CO 0.05 -0.22 0.08 1.41 0.00 0.00 0.00 176.54 177.85 1s4f h LEU 460 N -0.42 0.46 -0.76 3.11 3.38 -1.56 0.11 115.31 119.63 1s4f h LEU 460 Ca 0.09 -0.06 -0.05 0.00 0.09 0.00 0.00 57.88 57.95 1s4f h LEU 460 Cb 0.57 -0.12 -0.03 0.00 0.09 0.00 0.00 40.66 41.16 1s4f h LEU 460 CO -0.36 0.47 0.27 0.50 0.09 0.00 0.00 178.44 179.41 1s4f h LYS 461 N 0.49 1.15 -0.21 1.13 3.64 -1.41 0.11 116.57 121.47 1s4f h LYS 461 Ca 0.12 -0.23 -0.13 0.00 -1.27 0.00 0.00 60.65 59.14 1s4f h LYS 461 Cb 0.20 -0.18 0.00 0.00 -0.41 0.00 0.00 32.23 31.84 1s4f h LYS 461 CO -0.00 0.96 -0.38 0.35 -2.27 0.00 0.00 179.45 178.10 1s4f h PHE 462 N 1.11 0.79 0.00 1.91 3.57 -0.40 -0.24 116.94 123.68 1s4f h PHE 462 Ca 0.25 -0.28 -0.02 0.00 3.53 0.00 0.00 57.97 61.45 1s4f h PHE 462 Cb 0.26 -0.15 -0.00 0.00 2.79 0.00 0.00 35.95 38.85 1s4f h PHE 462 CO 0.02 1.03 -0.09 0.00 -2.23 0.00 0.00 178.31 177.05 1s4f h ALA 463 N 0.61 1.44 0.00 2.41 0.00 -0.53 0.21 119.26 123.41 1s4f h ALA 463 Ca 0.01 -0.08 -0.44 0.00 0.00 0.00 0.00 54.91 54.40 1s4f h ALA 463 Cb 0.98 -0.01 -0.07 0.00 0.00 0.00 0.00 17.79 18.68 1s4f h ALA 463 CO 0.09 0.11 -2.53 0.09 0.00 0.00 0.00 179.25 177.01 1s4f n ASN 464 N -3.84 1.97 0.16 0.00 3.02 -0.00 -1.55 115.26 115.03 1s4f n ASN 464 Ca -0.02 0.15 0.10 0.00 -0.03 0.00 0.00 54.58 54.77 1s4f n ASN 464 Cb 0.19 -0.66 0.09 0.00 -0.61 0.00 0.00 39.78 38.79 1s4f n ASN 464 CO 0.00 0.00 0.00 0.11 -2.62 0.00 0.00 177.26 174.75 1s4f h LYS 465 N -0.60 0.00 0.00 3.52 1.57 -1.10 -3.34 116.57 116.61 1s4f h LYS 465 Ca -0.66 0.00 -0.04 0.00 -1.87 0.00 0.00 60.65 58.09 1s4f h LYS 465 Cb 1.73 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 34.04 1s4f h LYS 465 CO -0.29 0.08 -0.17 0.78 -0.57 0.00 0.00 179.45 179.27 1s4f h GLY 466 N 3.92 0.00 0.16 3.86 0.00 -0.72 -3.08 103.07 107.21 1s4f h GLY 466 Ca -0.01 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.32 1s4f h GLY 466 CO 0.01 0.00 -0.38 -0.33 0.00 0.00 0.00 176.54 175.84 1s4f h MET 467 N 0.00 -0.58 -0.61 4.80 2.86 -1.75 -0.07 114.93 119.58 1s4f h MET 467 Ca -0.00 0.04 -0.03 0.00 -2.06 0.00 0.00 59.70 57.65 1s4f h MET 467 Cb 0.33 0.13 -0.03 0.00 0.06 0.00 0.00 31.60 32.10 1s4f h MET 467 CO 0.02 -0.39 0.28 0.37 1.06 0.00 0.00 176.91 178.26 1s4f h GLN 468 N -0.60 0.89 -0.86 1.72 -0.00 -1.83 -0.88 115.11 113.55 1s4f h GLN 468 Ca -0.02 -0.14 0.01 0.00 -0.00 0.00 0.00 58.65 58.51 1s4f h GLN 468 Cb 0.58 -0.16 -0.04 0.00 0.00 0.00 0.00 27.48 27.86 1s4f h GLN 468 CO -0.17 0.73 0.57 0.82 0.00 0.00 0.00 178.83 180.78 1s4f h ILE 469 N 0.84 1.20 -0.22 2.39 2.04 -1.44 -0.90 117.51 121.43 1s4f h ILE 469 Ca 0.21 -0.39 -0.10 0.00 1.00 0.00 0.00 64.86 65.58 1s4f h ILE 469 Cb 0.15 -0.04 -0.01 0.00 -0.74 0.00 0.00 36.82 36.17 1s4f h ILE 469 CO -0.02 0.21 -0.28 -0.07 0.00 0.00 0.00 178.15 177.99 1s4f h LEU 470 N 1.14 0.44 0.49 1.44 3.38 -0.74 -2.26 115.31 119.21 1s4f h LEU 470 Ca 0.32 -0.15 -0.02 0.00 0.09 0.00 0.00 57.88 58.11 1s4f h LEU 470 Cb -0.11 -0.12 0.00 0.00 0.09 0.00 0.00 40.66 40.53 1s4f h LEU 470 CO -0.08 0.71 -0.24 -0.74 0.09 0.00 0.00 178.44 178.19 1s4f h HIS 471 N 0.38 -0.61 0.00 1.13 2.76 0.13 -1.11 115.15 117.84 1s4f h HIS 471 Ca 0.05 -0.01 0.00 0.00 -2.20 0.00 0.00 60.37 58.21 1s4f h HIS 471 Cb 0.69 0.20 0.00 0.00 1.55 0.00 0.00 27.41 29.85 1s4f h HIS 471 CO 0.02 -0.37 0.00 -0.85 -1.30 0.00 0.00 177.93 175.43 1s4f n GLU 472 N -5.36 0.04 0.00 5.26 0.28 -0.55 -1.16 120.64 119.15 1s4f n GLU 472 Ca -0.12 0.24 0.13 0.00 -0.16 0.00 0.00 57.16 57.26 1s4f n GLU 472 Cb 0.28 -1.57 0.47 0.00 1.43 0.00 0.00 31.44 32.05 1s4f n GLU 472 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 177.13 176.97 1s4f n ALA 473 N -1.55 2.97 -1.29 -1.84 0.00 -0.86 -2.59 120.51 115.35 1s4f n ALA 473 Ca 0.04 -0.29 0.00 0.00 0.00 0.00 0.00 53.44 53.19 1s4f n ALA 473 Cb 0.21 -1.26 0.00 0.00 0.00 0.00 0.00 19.45 18.41 1s4f n ALA 473 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1s4f n GLY 474 N 1.38 1.01 2.24 0.00 0.00 -0.31 -4.80 105.19 104.72 1s4f n GLY 474 Ca 0.10 -0.49 -0.21 0.00 0.00 0.00 0.00 46.02 45.42 1s4f n GLY 474 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1s4f n LYS 475 N -0.78 0.78 -1.67 1.61 4.76 -0.46 -4.74 118.16 117.66 1s4f n LYS 475 Ca 0.00 -3.11 -0.47 0.00 -2.87 0.00 0.00 58.31 51.85 1s4f n LYS 475 Cb 0.30 -1.33 -0.04 0.00 -1.84 0.00 0.00 35.03 32.11 1s4f n LYS 475 CO 0.00 0.00 0.00 -2.30 -1.37 0.00 0.00 177.40 173.73 1s4f n PRO 476 N 1.17 2.14 -3.03 1.97 -0.02 -1.26 -4.34 135.00 131.63 1s4f n PRO 476 Ca 0.21 0.78 -0.35 0.00 -2.02 0.00 0.00 63.50 62.12 1s4f n PRO 476 Cb 0.57 -2.58 -0.06 0.00 -0.02 0.00 0.00 33.50 31.40 1s4f n PRO 476 CO 0.00 0.00 0.00 -0.65 1.98 0.00 0.00 175.50 176.83 1s4f s GLN 477 N 2.44 4.23 0.09 -0.52 -1.52 -1.26 -0.08 119.66 123.04 1s4f s GLN 477 Ca 0.86 0.91 -0.31 0.00 -1.95 0.00 0.00 55.36 54.87 1s4f s GLN 477 Cb -0.69 -2.67 -0.08 0.00 -0.22 0.00 0.00 33.01 29.35 1s4f s GLN 477 CO 0.45 0.26 1.52 0.15 -0.25 0.00 0.00 175.29 177.42 1s4f s LYS 478 N -2.40 4.25 -0.00 2.91 1.02 0.86 -4.74 119.74 121.64 1s4f s LYS 478 Ca 0.49 2.20 -0.30 0.00 0.02 0.00 0.00 55.97 58.38 1s4f s LYS 478 Cb -0.14 -3.40 -0.05 0.00 -0.52 0.00 0.00 37.83 33.72 1s4f s LYS 478 CO 0.20 -0.60 1.32 -1.50 -0.92 0.00 0.00 175.35 173.85 1s4f s ILE 479 N 1.84 3.88 0.44 2.17 1.10 -1.26 -4.96 121.20 124.42 1s4f s ILE 479 Ca 0.69 1.27 0.07 0.00 -0.51 0.00 0.00 60.65 62.16 1s4f s ILE 479 Cb -0.38 -3.82 -0.03 0.00 0.15 0.00 0.00 42.46 38.38 1s4f s ILE 479 CO 0.30 0.01 0.24 0.28 -2.11 0.00 0.00 174.94 173.67 1s4f s THR 480 N 2.12 2.19 0.28 4.00 -1.32 -1.26 -4.99 115.64 116.65 1s4f s THR 480 Ca 0.61 -1.62 -0.02 0.00 -1.21 0.00 0.00 61.69 59.46 1s4f s THR 480 Cb -0.29 -2.80 0.27 0.00 -1.51 0.00 0.00 72.50 68.17 1s4f s THR 480 CO 0.26 0.00 1.91 -0.08 -2.21 0.00 0.00 174.62 174.49 1s4f h GLU 481 N 1.24 1.11 0.00 7.08 4.81 -1.96 -0.40 114.58 126.46 1s4f h GLU 481 Ca -0.42 -0.07 -0.01 0.00 -0.13 0.00 0.00 59.36 58.74 1s4f h GLU 481 Cb 1.27 -0.25 -0.00 0.00 0.63 0.00 0.00 28.75 30.40 1s4f h GLU 481 CO 0.66 0.73 -0.05 0.78 -0.73 0.00 0.00 179.01 180.40 1s4f h GLY 482 N 1.14 0.00 -3.42 1.92 0.00 -2.00 -3.46 103.07 97.26 1s4f h GLY 482 Ca 0.40 0.00 -0.29 0.00 0.00 0.00 0.00 47.33 47.44 1s4f h GLY 482 CO -0.14 0.00 -0.44 1.18 0.00 0.00 0.00 176.54 177.13 1s4f n GLU 483 N -3.32 -3.68 -3.57 4.80 1.02 -0.16 -5.00 120.64 110.73 1s4f n GLU 483 Ca -0.01 0.66 -0.13 0.00 -0.02 0.00 0.00 57.16 57.66 1s4f n GLU 483 Cb 0.21 -5.00 -0.05 0.00 -0.02 0.00 0.00 31.44 26.58 1s4f n GLU 483 CO 0.00 0.00 0.00 -1.59 1.18 0.00 0.00 177.13 176.72 1s4f s LYS 484 N -5.40 1.07 0.52 3.49 -2.85 -1.26 -4.95 119.74 110.35 1s4f s LYS 484 Ca 0.23 -0.40 -0.20 0.00 -1.00 0.00 0.00 55.97 54.61 1s4f s LYS 484 Cb -0.10 0.48 -0.10 0.00 -2.06 0.00 0.00 37.83 36.05 1s4f s LYS 484 CO 0.28 -0.41 0.53 -1.33 0.10 0.00 0.00 175.35 174.53 1s4f n MET 485 N 0.14 0.56 -2.46 1.78 2.81 -0.59 -4.81 117.12 114.55 1s4f n MET 485 Ca -0.18 0.21 -0.42 0.00 -1.81 0.00 0.00 57.70 55.51 1s4f n MET 485 Cb 0.62 -1.64 -0.03 0.00 -0.71 0.00 0.00 33.22 31.46 1s4f n MET 485 CO 0.00 0.00 0.00 0.21 1.51 0.00 0.00 175.97 177.69 1s4f s LYS 486 N -1.90 4.43 -0.10 0.03 2.20 -1.26 -4.88 119.74 118.25 1s4f s LYS 486 Ca 0.66 1.71 0.02 0.00 -0.36 0.00 0.00 55.97 58.00 1s4f s LYS 486 Cb -0.49 -3.41 -0.01 0.00 -1.51 0.00 0.00 37.83 32.40 1s4f s LYS 486 CO 0.56 -0.28 -0.17 0.08 -0.36 0.00 0.00 175.35 175.18 1s4f s VAL 487 N 1.35 2.73 -0.33 4.02 1.01 -1.26 -0.71 120.40 127.21 1s4f s VAL 487 Ca 0.57 -0.79 -0.10 0.00 0.00 0.00 0.00 61.98 61.66 1s4f s VAL 487 Cb -0.27 -2.10 0.00 0.00 0.00 0.00 0.00 36.38 34.01 1s4f s VAL 487 CO 0.27 0.55 0.16 0.00 0.00 0.00 0.00 175.10 176.08 1s4f s ALA 488 N 0.13 3.27 -1.34 5.51 0.00 0.44 -4.95 121.76 124.83 1s4f s ALA 488 Ca -0.09 -1.46 0.25 0.00 0.00 0.00 0.00 51.96 50.66 1s4f s ALA 488 Cb -0.15 -2.43 0.57 0.00 0.00 0.00 0.00 23.12 21.11 1s4f s ALA 488 CO 0.05 -1.01 1.45 0.66 0.00 0.00 0.00 175.76 176.91 1s4f n TYR 489 N 4.98 0.00 -4.70 0.00 4.02 -1.26 -2.27 117.16 117.93 1s4f n TYR 489 Ca -0.13 0.00 -0.23 0.00 -0.01 0.00 0.00 57.90 57.52 1s4f n TYR 489 Cb 0.48 -0.18 -0.15 0.00 -0.02 0.00 0.00 39.34 39.47 1s4f n TYR 489 CO 0.00 0.00 0.00 1.03 -1.01 0.00 0.00 176.86 176.88 1s4f s ARG 490 N -2.78 1.32 0.27 -0.72 0.52 -1.26 -4.95 118.95 111.35 1s4f s ARG 490 Ca 0.17 -0.53 -0.01 0.00 -0.52 0.00 0.00 55.73 54.84 1s4f s ARG 490 Cb 0.18 -1.24 0.57 0.00 0.52 0.00 0.00 34.95 34.98 1s4f s ARG 490 CO 0.63 0.29 1.73 0.35 0.02 0.00 0.00 175.30 178.31 1s4f h PHE 491 N 5.94 0.62 -0.00 -0.53 3.04 -1.97 0.90 116.94 124.94 1s4f h PHE 491 Ca -0.34 0.04 0.00 0.00 3.98 0.00 0.00 57.97 61.64 1s4f h PHE 491 Cb 1.16 -0.15 -0.00 0.00 2.56 0.00 0.00 35.95 39.52 1s4f h PHE 491 CO 0.41 0.06 0.00 1.05 -2.02 0.00 0.00 178.31 177.81 1s4f h GLU 492 N 0.47 0.00 0.00 1.11 4.11 -1.97 -2.29 114.58 116.02 1s4f h GLU 492 Ca 0.48 0.00 -0.12 0.00 0.07 0.00 0.00 59.36 59.79 1s4f h GLU 492 Cb 0.78 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 30.01 1s4f h GLU 492 CO -0.44 0.00 -0.56 -0.44 0.07 0.00 0.00 179.01 177.65 1s4f h ASP 493 N 0.00 0.00 -1.34 3.06 3.32 -1.17 -3.37 116.42 116.92 1s4f h ASP 493 Ca 0.00 0.00 -0.70 0.00 0.02 0.00 0.00 57.03 56.35 1s4f h ASP 493 Cb 0.01 0.00 0.08 0.00 0.22 0.00 0.00 39.33 39.64 1s4f h ASP 493 CO -0.00 0.56 -0.04 -0.38 -1.72 0.00 0.00 179.24 177.66 1s4f n ILE 494 N -3.80 0.91 -4.80 0.35 5.41 -0.86 -4.94 119.36 111.63 1s4f n ILE 494 Ca -0.01 -0.23 -0.31 0.00 1.00 0.00 0.00 62.75 63.20 1s4f n ILE 494 Cb 0.58 -0.30 -0.17 0.00 -0.71 0.00 0.00 39.64 39.03 1s4f n ILE 494 CO 0.00 0.00 0.00 -0.70 0.00 0.00 0.00 176.55 175.85 1s4f s GLU 495 N -0.44 2.78 -0.10 0.38 2.12 -1.26 -4.12 118.70 118.06 1s4f s GLU 495 Ca 0.77 -0.77 -0.08 0.00 0.36 0.00 0.00 54.97 55.24 1s4f s GLU 495 Cb -1.02 -2.21 0.03 0.00 0.26 0.00 0.00 34.13 31.19 1s4f s GLU 495 CO 0.55 0.04 0.25 0.12 -0.54 0.00 0.00 175.26 175.69 1s4f s PHE 496 N 0.69 -0.29 -1.27 5.30 5.36 0.15 -4.85 117.98 123.06 1s4f s PHE 496 Ca -0.11 0.70 -0.01 0.00 -0.96 0.00 0.00 56.93 56.54 1s4f s PHE 496 Cb -0.16 0.09 0.00 0.00 -0.34 0.00 0.00 43.02 42.61 1s4f s PHE 496 CO 0.02 -0.15 0.02 0.00 -1.46 0.00 0.00 175.22 173.66 1s4f n SER 498 N -2.31 -6.03 -3.79 0.00 7.64 -1.26 -4.98 113.62 102.88 1s4f n SER 498 Ca -0.27 -0.11 -0.13 0.00 1.01 0.00 0.00 58.87 59.38 1s4f n SER 498 Cb 0.58 -4.97 -0.11 0.00 -1.01 0.00 0.00 64.21 58.70 1s4f n SER 498 CO 0.00 0.00 0.00 -1.00 -3.01 0.00 0.00 175.04 171.03 1s4f s HIS 499 N -3.10 -0.24 0.41 1.43 3.76 0.25 -4.86 115.29 112.94 1s4f s HIS 499 Ca 0.10 0.56 0.07 0.00 -0.15 0.00 0.00 55.06 55.65 1s4f s HIS 499 Cb -0.05 0.08 -0.04 0.00 1.11 0.00 0.00 32.58 33.68 1s4f s HIS 499 CO 0.13 -0.18 0.22 0.95 -0.85 0.00 0.00 174.74 175.01 1s4f s THR 500 N -0.17 2.44 0.01 1.30 -4.23 -0.96 0.30 115.64 114.34 1s4f s THR 500 Ca -0.03 -1.62 -0.16 0.00 -1.18 0.00 0.00 61.69 58.70 1s4f s THR 500 Cb -0.03 -3.00 -0.06 0.00 1.34 0.00 0.00 72.50 70.76 1s4f s THR 500 CO 0.01 -0.02 0.44 -2.16 -0.54 0.00 0.00 174.62 172.36 1s4f s PRO 501 N -3.95 3.99 -0.14 3.99 0.04 -1.26 0.21 135.00 137.88 1s4f s PRO 501 Ca 0.42 0.48 -0.02 0.00 0.04 0.00 0.00 61.00 61.93 1s4f s PRO 501 Cb 0.02 -3.23 -0.02 0.00 0.04 0.00 0.00 34.50 31.31 1s4f s PRO 501 CO 0.24 0.67 -0.09 0.08 0.04 0.00 0.00 177.00 177.94 1s4f s VAL 502 N -1.05 3.40 0.15 -0.36 1.01 0.89 -4.73 120.40 119.71 1s4f s VAL 502 Ca 0.25 -0.54 -0.30 0.00 0.00 0.00 0.00 61.98 61.39 1s4f s VAL 502 Cb -0.17 -2.45 -0.07 0.00 0.00 0.00 0.00 36.38 33.68 1s4f s VAL 502 CO 0.15 0.51 1.13 -2.84 0.00 0.00 0.00 175.10 174.05 1s4f s PRO 503 N 0.35 4.55 -0.07 2.72 0.02 -1.26 -0.47 135.00 140.84 1s4f s PRO 503 Ca -0.08 1.75 0.02 0.00 0.02 0.00 0.00 61.00 62.70 1s4f s PRO 503 Cb -0.15 -3.29 0.02 0.00 0.02 0.00 0.00 34.50 31.10 1s4f s PRO 503 CO 0.05 -0.01 -0.10 0.08 -0.33 0.00 0.00 177.00 176.68 1s4f s VAL 504 N 0.05 1.00 -0.31 3.83 1.01 -0.12 -0.68 120.40 125.18 1s4f s VAL 504 Ca 0.52 -0.38 -0.12 0.00 0.00 0.00 0.00 61.98 61.99 1s4f s VAL 504 Cb -0.30 -0.95 -0.03 0.00 0.00 0.00 0.00 36.38 35.10 1s4f s VAL 504 CO 0.34 0.33 0.22 -0.13 0.00 0.00 0.00 175.10 175.86 1s4f s ARG 505 N 0.87 3.73 0.47 2.72 1.81 0.19 -1.71 118.95 127.02 1s4f s ARG 505 Ca -0.11 -0.48 -0.12 0.00 -1.72 0.00 0.00 55.73 53.30 1s4f s ARG 505 Cb -0.15 -3.73 -0.06 0.00 -0.45 0.00 0.00 34.95 30.55 1s4f s ARG 505 CO 0.01 -0.31 0.87 -1.58 -0.68 0.00 0.00 175.30 173.61 1s4f s TRP 506 N 1.74 3.50 0.54 -0.53 0.52 0.13 -1.03 118.94 123.81 1s4f s TRP 506 Ca 0.07 1.18 0.28 0.00 0.02 0.00 0.00 56.10 57.65 1s4f s TRP 506 Cb -0.17 -2.57 1.45 0.00 -1.15 0.00 0.00 33.47 31.03 1s4f s TRP 506 CO 0.11 -0.28 1.94 0.66 0.02 0.00 0.00 176.95 179.40 1s4f h SER 507 N 0.84 0.00 -0.53 2.95 4.64 -0.56 -0.00 113.55 120.88 1s4f h SER 507 Ca -0.47 0.00 -0.34 0.00 -0.47 0.00 0.00 61.79 60.52 1s4f h SER 507 Cb 1.19 0.00 -0.16 0.00 -0.31 0.00 0.00 62.40 63.12 1s4f h SER 507 CO 0.63 0.00 0.44 -0.90 -0.87 0.00 0.00 176.83 176.12 1s4f n ASP 508 N -4.26 5.67 0.00 4.97 3.85 -1.26 -4.85 116.55 120.67 1s4f n ASP 508 Ca 0.13 -3.06 0.00 0.00 -0.71 0.00 0.00 54.79 51.15 1s4f n ASP 508 Cb 0.76 -0.94 0.00 0.00 -1.35 0.00 0.00 41.12 39.59 1s4f n ASP 508 CO 0.00 0.00 0.00 0.59 -1.01 0.00 0.00 177.20 176.78 1s4f n ASN 509 N 0.04 -2.35 -4.91 -1.12 3.02 -0.02 -4.94 115.26 104.98 1s4f n ASN 509 Ca 0.33 0.00 -0.27 0.00 -0.03 0.00 0.00 54.58 54.61 1s4f n ASN 509 Cb 0.74 -2.12 0.02 0.00 -0.61 0.00 0.00 39.78 37.81 1s4f n ASN 509 CO 0.00 0.00 0.00 0.42 -2.62 0.00 0.00 177.26 175.06 1s4f s THR 510 N -0.65 4.11 -0.01 3.41 -4.23 -1.24 -4.83 115.64 112.21 1s4f s THR 510 Ca 0.00 0.09 0.02 0.00 -1.18 0.00 0.00 61.69 60.62 1s4f s THR 510 Cb 0.00 -3.60 -0.01 0.00 1.34 0.00 0.00 72.50 70.23 1s4f s THR 510 CO 0.00 -0.61 -0.07 -0.44 -0.54 0.00 0.00 174.62 172.95 1s4f s SER 511 N -4.23 0.86 0.32 3.99 0.01 -1.26 0.21 113.70 113.59 1s4f s SER 511 Ca 0.52 -0.13 0.04 0.00 1.31 0.00 0.00 55.95 57.68 1s4f s SER 511 Cb -0.10 -0.10 -0.04 0.00 0.21 0.00 0.00 66.02 65.99 1s4f s SER 511 CO 0.45 0.09 0.17 -0.94 0.41 0.00 0.00 173.24 173.42 1s4f s SER 512 N -0.16 1.66 -0.12 2.44 1.04 -0.70 -5.00 113.70 112.87 1s4f s SER 512 Ca 0.03 -1.58 0.03 0.00 0.48 0.00 0.00 55.95 54.90 1s4f s SER 512 Cb -0.03 0.41 0.01 0.00 0.10 0.00 0.00 66.02 66.51 1s4f s SER 512 CO -0.00 -0.90 -0.20 -1.00 0.98 0.00 0.00 173.24 172.11 1s4f s HIS 513 N -3.56 2.40 0.49 5.02 3.76 -1.26 -0.95 115.29 121.20 1s4f s HIS 513 Ca 0.35 -1.13 0.08 0.00 -0.15 0.00 0.00 55.06 54.21 1s4f s HIS 513 Cb 0.05 -1.65 0.04 0.00 1.11 0.00 0.00 32.58 32.12 1s4f s HIS 513 CO 0.18 -0.52 0.61 -1.64 -0.85 0.00 0.00 174.74 172.53 1s4f s MET 514 N 0.74 2.53 -0.25 1.40 -1.94 0.38 -4.21 119.30 117.95 1s4f s MET 514 Ca -0.10 -1.51 -0.18 0.00 -1.71 0.00 0.00 55.69 52.19 1s4f s MET 514 Cb -0.16 -2.60 -0.03 0.00 2.01 0.00 0.00 34.83 34.05 1s4f s MET 514 CO 0.01 -0.52 0.53 0.00 -0.01 0.00 0.00 175.02 175.03 1s4f s ALA 515 N -2.53 3.59 0.38 3.03 0.00 -1.26 -0.08 121.76 124.89 1s4f s ALA 515 Ca 0.55 -0.56 0.08 0.00 0.00 0.00 0.00 51.96 52.03 1s4f s ALA 515 Cb -0.07 -2.90 -0.03 0.00 0.00 0.00 0.00 23.12 20.12 1s4f s ALA 515 CO 0.34 -0.72 0.28 0.20 0.00 0.00 0.00 175.76 175.86 1s4f s GLY 516 N 1.49 2.06 0.24 0.00 0.00 0.13 -4.82 107.32 106.42 1s4f s GLY 516 Ca 0.22 -1.87 -0.17 0.00 0.00 0.00 0.00 44.72 42.91 1s4f s GLY 516 CO 0.09 -1.72 0.56 -1.60 0.00 0.00 0.00 173.10 170.43 1s4f s ARG 517 N -4.00 1.56 0.17 2.90 3.52 -1.26 -2.25 118.95 119.58 1s4f s ARG 517 Ca 0.43 -1.04 -0.31 0.00 -0.13 0.00 0.00 55.73 54.69 1s4f s ARG 517 Cb -0.02 0.53 -0.09 0.00 -1.56 0.00 0.00 34.95 33.81 1s4f s ARG 517 CO 0.26 -0.67 1.44 -0.51 -0.81 0.00 0.00 175.30 175.00 1s4f s ASP 518 N -2.94 6.74 0.41 -2.12 -0.00 -1.26 -4.86 116.67 112.63 1s4f s ASP 518 Ca 0.14 2.49 0.11 0.00 -0.00 0.00 0.00 52.55 55.29 1s4f s ASP 518 Cb -0.02 -2.60 0.92 0.00 -0.00 0.00 0.00 42.92 41.22 1s4f s ASP 518 CO 0.04 -0.69 1.97 0.74 -0.00 0.00 0.00 175.17 177.23 1s4f h THR 519 N 3.96 0.94 -0.11 -1.27 2.02 -1.32 -1.20 112.91 115.94 1s4f h THR 519 Ca -0.43 -0.18 0.04 0.00 0.77 0.00 0.00 66.41 66.61 1s4f h THR 519 Cb 1.21 0.36 -0.06 0.00 -1.74 0.00 0.00 68.15 67.92 1s4f h THR 519 CO 0.85 0.10 -0.33 0.00 0.37 0.00 0.00 175.52 176.51 1s4f h ALA 520 N 1.67 -0.40 -0.35 6.16 0.00 -1.90 0.29 119.26 124.73 1s4f h ALA 520 Ca 0.29 0.01 0.03 0.00 0.00 0.00 0.00 54.91 55.25 1s4f h ALA 520 Cb 0.43 0.61 -0.03 0.00 0.00 0.00 0.00 17.79 18.80 1s4f h ALA 520 CO -0.09 -0.81 0.14 0.28 0.00 0.00 0.00 179.25 178.77 1s4f h VAL 521 N -0.41 0.93 -0.14 0.00 2.07 -1.62 0.09 116.25 117.16 1s4f h VAL 521 Ca 0.09 -0.10 0.03 0.00 0.82 0.00 0.00 66.70 67.53 1s4f h VAL 521 Cb 0.55 0.60 -0.02 0.00 -1.52 0.00 0.00 31.29 30.90 1s4f h VAL 521 CO -0.34 0.06 -0.02 0.40 0.02 0.00 0.00 177.57 177.69 1s4f h ILE 522 N 0.30 0.88 -0.95 4.57 2.04 -0.68 -0.71 117.51 122.97 1s4f h ILE 522 Ca 0.16 -0.01 0.04 0.00 1.00 0.00 0.00 64.86 66.05 1s4f h ILE 522 Cb 0.11 0.86 -0.06 0.00 -0.74 0.00 0.00 36.82 36.98 1s4f h ILE 522 CO -0.14 0.00 0.62 -0.07 0.00 0.00 0.00 178.15 178.56 1s4f h LEU 523 N 0.03 1.02 -1.15 1.44 3.38 -0.12 -1.24 115.31 118.66 1s4f h LEU 523 Ca 0.07 -0.00 -0.05 0.00 0.09 0.00 0.00 57.88 57.98 1s4f h LEU 523 Cb 0.09 -0.23 -0.02 0.00 0.09 0.00 0.00 40.66 40.59 1s4f h LEU 523 CO -0.13 0.69 0.01 0.28 0.09 0.00 0.00 178.44 179.38 1s4f h SER 524 N 1.18 0.56 1.63 -0.43 0.02 -0.05 -2.20 113.55 114.27 1s4f h SER 524 Ca 0.39 -0.11 -0.06 0.00 -0.84 0.00 0.00 61.79 61.17 1s4f h SER 524 Cb 0.04 -0.15 -0.01 0.00 0.14 0.00 0.00 62.40 62.43 1s4f h SER 524 CO -0.13 0.63 -0.37 0.11 -1.14 0.00 0.00 176.83 175.92 1s4f h LYS 525 N 0.57 0.00 0.08 3.45 1.57 -0.35 -2.76 116.57 119.13 1s4f h LYS 525 Ca 0.12 0.00 -0.26 0.00 -1.87 0.00 0.00 60.65 58.64 1s4f h LYS 525 Cb 0.35 0.00 0.01 0.00 0.08 0.00 0.00 32.23 32.66 1s4f h LYS 525 CO 0.01 0.25 -1.12 0.52 -0.57 0.00 0.00 179.45 178.54 1s4f h MET 526 N 0.00 0.37 0.14 3.15 2.86 -0.97 -2.92 114.93 117.56 1s4f h MET 526 Ca -0.01 -0.50 -0.28 0.00 -2.06 0.00 0.00 59.70 56.85 1s4f h MET 526 Cb 1.21 0.17 0.01 0.00 0.06 0.00 0.00 31.60 33.05 1s4f h MET 526 CO 0.03 1.19 -1.26 0.00 1.06 0.00 0.00 176.91 177.94 1s4f h ALA 527 N 0.61 0.08 -0.61 6.32 0.00 -1.46 -3.36 119.26 120.83 1s4f h ALA 527 Ca -0.12 -0.88 0.00 0.00 0.00 0.00 0.00 54.91 53.91 1s4f h ALA 527 Cb 1.80 0.02 0.00 0.00 0.00 0.00 0.00 17.79 19.61 1s4f h ALA 527 CO 0.19 0.96 0.00 0.25 0.00 0.00 0.00 179.25 180.65 1s4f n THR 528 N -3.55 0.85 -3.11 0.00 -2.24 -1.04 -1.32 114.28 103.87 1s4f n THR 528 Ca -0.09 -0.92 -0.45 0.00 -2.27 0.00 0.00 64.05 60.32 1s4f n THR 528 Cb 1.03 0.65 -0.04 0.00 -2.10 0.00 0.00 70.33 69.87 1s4f n THR 528 CO 0.00 0.00 0.00 -0.60 -0.57 0.00 0.00 175.07 173.90 1s4f s ARG 529 N -1.14 3.18 0.71 -0.78 3.52 -1.10 -5.01 118.95 118.33 1s4f s ARG 529 Ca 0.45 -1.51 -0.04 0.00 -0.13 0.00 0.00 55.73 54.50 1s4f s ARG 529 Cb 0.24 -4.37 0.10 0.00 -1.56 0.00 0.00 34.95 29.36 1s4f s ARG 529 CO 0.32 -1.55 0.99 -0.51 -0.81 0.00 0.00 175.30 173.74 1s4f s LEU 530 N 2.41 2.97 -0.34 -0.88 2.01 -1.26 -4.95 118.68 118.62 1s4f s LEU 530 Ca 0.15 0.01 -0.29 0.00 0.01 0.00 0.00 54.13 54.01 1s4f s LEU 530 Cb -0.20 -2.52 0.01 0.00 0.01 0.00 0.00 46.19 43.48 1s4f s LEU 530 CO 0.02 -1.73 1.30 -0.62 1.01 0.00 0.00 176.35 176.33 1s4f s ASP 531 N -4.63 6.60 0.00 2.29 3.68 -1.26 -4.89 116.67 118.46 1s4f s ASP 531 Ca 0.63 1.04 -0.03 0.00 2.13 0.00 0.00 52.55 56.33 1s4f s ASP 531 Cb -0.08 -2.54 -0.12 0.00 -1.45 0.00 0.00 42.92 38.73 1s4f s ASP 531 CO 0.44 -1.17 2.11 -1.20 0.13 0.00 0.00 175.17 175.48 1s4f n SER 532 N 7.89 3.35 0.00 -0.34 7.64 -1.26 -1.15 113.62 129.75 1s4f n SER 532 Ca 0.15 -2.05 0.00 0.00 1.01 0.00 0.00 58.87 57.98 1s4f n SER 532 Cb 0.47 -0.84 0.00 0.00 -1.01 0.00 0.00 64.21 62.83 1s4f n SER 532 CO 0.00 0.00 0.00 -1.54 -3.01 0.00 0.00 175.04 170.49 1s4f n SER 533 N 2.37 0.51 0.00 6.43 3.41 -1.26 -5.03 113.62 120.05 1s4f n SER 533 Ca 0.19 -0.10 0.00 0.00 -0.26 0.00 0.00 58.87 58.70 1s4f n SER 533 Cb 0.50 0.30 0.00 0.00 -0.26 0.00 0.00 64.21 64.75 1s4f n SER 533 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1s4f n GLY 534 N 0.45 1.49 3.57 5.00 0.00 -0.30 -5.06 105.19 110.34 1s4f n GLY 534 Ca 0.00 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.67 1s4f n GLY 534 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 1s4f n GLU 535 N -2.00 0.21 0.33 1.61 2.13 -1.26 -4.79 120.64 116.86 1s4f n GLU 535 Ca 0.00 0.13 0.17 0.00 0.66 0.00 0.00 57.16 58.12 1s4f n GLU 535 Cb 0.00 -2.13 0.91 0.00 0.27 0.00 0.00 31.44 30.49 1s4f n GLU 535 CO 0.00 0.00 0.00 -0.09 -0.41 0.00 0.00 177.13 176.63 1s4f h ARG 536 N -0.72 0.00 -2.17 5.31 9.65 -1.97 -3.44 114.38 121.05 1s4f h ARG 536 Ca -0.46 0.00 0.00 0.00 -1.10 0.00 0.00 59.98 58.42 1s4f h ARG 536 Cb 1.32 0.00 0.00 0.00 -1.39 0.00 0.00 29.97 29.90 1s4f h ARG 536 CO 0.43 0.00 0.00 0.41 2.80 0.00 0.00 179.97 183.61 1s4f n GLY 537 N -1.20 -2.69 0.00 2.80 0.00 -1.26 -4.97 105.19 97.87 1s4f n GLY 537 Ca -0.02 -0.55 0.00 0.00 0.00 0.00 0.00 46.02 45.45 1s4f n GLY 537 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1s4f n THR 538 N 0.10 0.00 0.19 2.61 -2.24 -1.26 -4.92 114.28 108.76 1s4f n THR 538 Ca 0.00 0.00 0.09 0.00 -2.27 0.00 0.00 64.05 61.87 1s4f n THR 538 Cb 0.00 -1.86 0.13 0.00 -2.10 0.00 0.00 70.33 66.50 1s4f n THR 538 CO 0.00 0.00 0.00 0.71 -0.57 0.00 0.00 175.07 175.21 1s4f h THR 539 N -0.79 0.31 -0.58 4.28 1.35 -1.98 -2.99 112.91 112.52 1s4f h THR 539 Ca 0.00 -1.43 -0.02 0.00 -0.55 0.00 0.00 66.41 64.42 1s4f h THR 539 Cb 0.00 2.14 -0.03 0.00 -1.73 0.00 0.00 68.15 68.54 1s4f h THR 539 CO 0.00 0.18 0.30 0.00 -0.25 0.00 0.00 175.52 175.75 1s4f h ALA 540 N 1.82 0.74 0.69 6.62 0.00 -1.93 0.02 119.26 127.23 1s4f h ALA 540 Ca -0.00 -0.11 -0.03 0.00 0.00 0.00 0.00 54.91 54.76 1s4f h ALA 540 Cb 1.13 -0.23 0.01 0.00 0.00 0.00 0.00 17.79 18.69 1s4f h ALA 540 CO 0.02 0.28 -0.33 -0.92 0.00 0.00 0.00 179.25 178.31 1s4f h TYR 541 N 0.78 -0.85 -1.03 0.00 3.20 -1.88 0.13 116.97 117.32 1s4f h TYR 541 Ca 0.20 -0.02 0.26 0.00 3.14 0.00 0.00 58.73 62.31 1s4f h TYR 541 Cb 0.08 0.28 -0.11 0.00 1.54 0.00 0.00 36.73 38.52 1s4f h TYR 541 CO -0.01 -0.53 0.64 0.93 -1.64 0.00 0.00 178.16 177.55 1s4f h GLU 542 N -1.16 0.47 -0.26 1.82 5.08 -1.47 0.50 114.58 119.56 1s4f h GLU 542 Ca -0.09 -0.03 -0.11 0.00 -1.00 0.00 0.00 59.36 58.13 1s4f h GLU 542 Cb 0.71 -0.11 -0.01 0.00 0.50 0.00 0.00 28.75 29.84 1s4f h GLU 542 CO 0.15 0.31 -0.31 0.87 -1.00 0.00 0.00 179.01 179.04 1s4f h LYS 543 N 0.49 0.55 0.00 2.33 1.57 -0.94 -0.35 116.57 120.22 1s4f h LYS 543 Ca 0.61 -0.23 -0.05 0.00 -1.87 0.00 0.00 60.65 59.11 1s4f h LYS 543 Cb 1.37 -0.02 -0.01 0.00 0.08 0.00 0.00 32.23 33.66 1s4f h LYS 543 CO -0.37 0.79 -0.25 0.00 -0.57 0.00 0.00 179.45 179.05 1s4f h ALA 544 N 1.20 1.07 0.17 3.86 0.00 0.49 -1.14 119.26 124.92 1s4f h ALA 544 Ca 0.06 -0.23 -0.31 0.00 0.00 0.00 0.00 54.91 54.43 1s4f h ALA 544 Cb 0.77 -0.04 0.03 0.00 0.00 0.00 0.00 17.79 18.55 1s4f h ALA 544 CO 0.06 0.31 -1.33 0.28 0.00 0.00 0.00 179.25 178.57 1s4f h VAL 545 N 0.00 1.30 -0.72 0.00 2.07 -0.48 -2.09 116.25 116.34 1s4f h VAL 545 Ca -0.00 -2.59 -0.02 0.00 0.82 0.00 0.00 66.70 64.90 1s4f h VAL 545 Cb 0.71 2.84 -0.03 0.00 -1.52 0.00 0.00 31.29 33.28 1s4f h VAL 545 CO 0.03 0.78 0.35 0.00 0.02 0.00 0.00 177.57 178.76 1s4f h ALA 546 N 0.27 0.93 -0.35 1.67 0.00 -0.68 0.45 119.26 121.55 1s4f h ALA 546 Ca -0.21 -0.14 -0.05 0.00 0.00 0.00 0.00 54.91 54.50 1s4f h ALA 546 Cb 2.01 -0.29 -0.01 0.00 0.00 0.00 0.00 17.79 19.50 1s4f h ALA 546 CO 0.25 0.48 0.00 0.35 0.00 0.00 0.00 179.25 180.34 1s4f h PHE 547 N 1.00 0.67 -0.81 0.00 3.57 -1.26 -0.58 116.94 119.53 1s4f h PHE 547 Ca 0.25 -0.11 0.01 0.00 3.53 0.00 0.00 57.97 61.64 1s4f h PHE 547 Cb 0.11 -0.17 -0.04 0.00 2.79 0.00 0.00 35.95 38.63 1s4f h PHE 547 CO 0.01 0.72 0.54 0.77 -2.23 0.00 0.00 178.31 178.11 1s4f h SER 548 N 0.43 0.93 1.22 0.41 0.02 -0.90 -1.25 113.55 114.41 1s4f h SER 548 Ca 0.10 -0.02 0.00 0.00 -0.84 0.00 0.00 61.79 61.03 1s4f h SER 548 Cb 0.45 -0.23 0.00 0.00 0.14 0.00 0.00 62.40 62.76 1s4f h SER 548 CO 0.02 0.67 0.00 -0.26 -1.14 0.00 0.00 176.83 176.12 1s4f h PHE 549 N 1.10 0.00 -0.04 3.45 -1.00 -0.72 -3.15 116.94 116.58 1s4f h PHE 549 Ca 0.30 0.00 -0.05 0.00 2.81 0.00 0.00 57.97 61.03 1s4f h PHE 549 Cb -0.12 0.00 0.00 0.00 3.61 0.00 0.00 35.95 39.44 1s4f h PHE 549 CO -0.02 0.00 -0.17 1.25 -1.61 0.00 0.00 178.31 177.76 1s4f h LEU 550 N 0.00 0.23 0.00 1.54 6.46 0.08 0.14 115.31 123.75 1s4f h LEU 550 Ca 0.00 -0.64 0.00 0.00 -0.12 0.00 0.00 57.88 57.12 1s4f h LEU 550 Cb 0.61 -0.07 0.00 0.00 -0.73 0.00 0.00 40.66 40.47 1s4f h LEU 550 CO 0.00 0.83 0.00 0.18 -0.62 0.00 0.00 178.44 178.83 1s4f n LEU 551 N -4.58 0.00 0.00 2.25 4.77 -0.90 -2.09 117.00 116.44 1s4f n LEU 551 Ca -0.08 0.17 0.00 0.00 -0.03 0.00 0.00 56.01 56.06 1s4f n LEU 551 Cb 0.42 -0.17 0.00 0.00 -2.33 0.00 0.00 43.42 41.34 1s4f n LEU 551 CO 0.38 -0.11 -0.39 0.23 -1.33 0.00 0.00 177.39 176.17 1s4f n MET 552 N -1.17 2.69 -0.66 3.23 2.81 -1.15 -4.78 117.12 118.08 1s4f n MET 552 Ca 0.06 0.00 0.05 0.00 -1.81 0.00 0.00 57.70 56.00 1s4f n MET 552 Cb 0.06 -0.89 0.09 0.00 -0.71 0.00 0.00 33.22 31.77 1s4f n MET 552 CO 0.00 0.00 0.00 0.66 1.51 0.00 0.00 175.97 178.14 1s4f n TYR 553 N -1.55 0.00 0.16 2.03 4.02 0.48 -4.65 117.16 117.66 1s4f n TYR 553 Ca 0.00 -0.70 0.09 0.00 -0.01 0.00 0.00 57.90 57.28 1s4f n TYR 553 Cb 0.30 -0.14 0.48 0.00 -0.02 0.00 0.00 39.34 39.95 1s4f n TYR 553 CO 0.00 0.00 0.00 -1.13 -1.01 0.00 0.00 176.86 174.72 1s4f n SER 554 N -0.48 0.45 0.22 7.72 3.41 -0.89 -0.08 113.62 123.97 1s4f n SER 554 Ca 0.10 0.67 0.15 0.00 -0.26 0.00 0.00 58.87 59.52 1s4f n SER 554 Cb 0.79 -0.68 0.49 0.00 -0.26 0.00 0.00 64.21 64.55 1s4f n SER 554 CO 0.00 0.00 0.00 4.11 -0.16 0.00 0.00 175.04 178.99 1s4f h TRP 555 N 0.00 0.00 -3.56 7.33 5.08 -1.87 -3.41 115.95 119.53 1s4f h TRP 555 Ca 0.00 0.00 -0.68 0.00 1.08 0.00 0.00 58.89 59.29 1s4f h TRP 555 Cb 0.26 0.00 -0.17 0.00 -3.00 0.00 0.00 29.16 26.25 1s4f h TRP 555 CO 0.00 0.00 -0.09 1.21 -1.28 0.00 0.00 178.44 178.28 1s4f s ASN 556 N -5.42 6.24 0.15 0.11 3.04 0.89 -4.88 114.94 115.08 1s4f s ASN 556 Ca 0.04 -0.53 -0.23 0.00 0.04 0.00 0.00 52.86 52.18 1s4f s ASN 556 Cb 0.08 -2.26 0.03 0.00 -1.54 0.00 0.00 41.25 37.57 1s4f s ASN 556 CO 0.55 -0.64 1.62 -0.65 -3.04 0.00 0.00 177.10 174.94 1s4f h PRO 557 N 8.77 -0.26 0.43 0.43 0.11 -1.84 0.20 132.00 139.84 1s4f h PRO 557 Ca -0.26 0.02 -0.01 0.00 0.11 0.00 0.00 66.00 65.86 1s4f h PRO 557 Cb 1.11 0.06 -0.02 0.00 0.11 0.00 0.00 31.00 32.25 1s4f h PRO 557 CO 0.83 -0.18 -0.44 1.25 -0.21 0.00 0.00 178.00 179.25 1s4f h LEU 558 N -0.27 -1.21 -0.65 2.35 6.46 -1.95 0.19 115.31 120.23 1s4f h LEU 558 Ca 0.14 0.10 0.07 0.00 -0.12 0.00 0.00 57.88 58.08 1s4f h LEU 558 Cb 0.50 0.40 -0.06 0.00 -0.73 0.00 0.00 40.66 40.77 1s4f h LEU 558 CO -0.42 -0.60 0.33 0.58 -0.62 0.00 0.00 178.44 177.71 1s4f h VAL 559 N -0.89 0.89 -0.38 1.05 2.07 -1.85 -0.75 116.25 116.39 1s4f h VAL 559 Ca -0.04 -0.20 -0.00 0.00 0.82 0.00 0.00 66.70 67.27 1s4f h VAL 559 Cb 0.79 0.25 -0.02 0.00 -1.52 0.00 0.00 31.29 30.79 1s4f h VAL 559 CO -0.07 0.11 0.23 -0.09 0.02 0.00 0.00 177.57 177.77 1s4f h ARG 560 N 0.59 0.51 0.00 1.57 2.43 -0.27 -0.36 114.38 118.86 1s4f h ARG 560 Ca 0.31 -0.05 -0.06 0.00 -0.81 0.00 0.00 59.98 59.37 1s4f h ARG 560 Cb 0.27 -0.11 -0.01 0.00 -0.42 0.00 0.00 29.97 29.71 1s4f h ARG 560 CO -0.23 0.39 -0.28 0.00 -1.51 0.00 0.00 179.97 178.34 1s4f h ARG 561 N 0.50 0.00 0.03 0.20 3.08 -0.14 -0.74 114.38 117.31 1s4f h ARG 561 Ca 0.14 0.00 -0.24 0.00 0.07 0.00 0.00 59.98 59.95 1s4f h ARG 561 Cb 0.00 0.00 0.01 0.00 0.08 0.00 0.00 29.97 30.06 1s4f h ARG 561 CO -0.03 0.28 -1.01 0.82 -1.07 0.00 0.00 179.97 178.96 1s4f h ILE 562 N 0.00 1.40 -0.56 2.04 2.04 -0.61 -1.08 117.51 120.73 1s4f h ILE 562 Ca -0.00 -2.52 -0.11 0.00 1.00 0.00 0.00 64.86 63.23 1s4f h ILE 562 Cb 0.66 2.51 -0.02 0.00 -0.74 0.00 0.00 36.82 39.23 1s4f h ILE 562 CO 0.04 0.75 -0.06 0.00 0.00 0.00 0.00 178.15 178.88 1s4f h LEU 564 N 0.92 0.95 -0.49 0.00 3.38 -1.08 -0.64 115.31 118.35 1s4f h LEU 564 Ca 0.15 -0.36 -0.02 0.00 0.09 0.00 0.00 57.88 57.74 1s4f h LEU 564 Cb 0.62 -0.26 -0.02 0.00 0.09 0.00 0.00 40.66 41.08 1s4f h LEU 564 CO 0.04 1.13 0.22 -0.07 0.09 0.00 0.00 178.44 179.85 1s4f h LEU 565 N 0.80 0.67 -1.75 1.67 3.38 -0.98 0.53 115.31 119.64 1s4f h LEU 565 Ca 0.10 -0.15 -0.04 0.00 0.09 0.00 0.00 57.88 57.89 1s4f h LEU 565 Cb 0.79 -0.17 -0.01 0.00 0.09 0.00 0.00 40.66 41.36 1s4f h LEU 565 CO 0.07 0.63 -0.17 0.58 0.09 0.00 0.00 178.44 179.64 1s4f h VAL 566 N 0.66 0.79 -0.00 1.22 2.07 -0.99 -1.37 116.25 118.63 1s4f h VAL 566 Ca 0.17 -0.66 0.00 0.00 0.82 0.00 0.00 66.70 67.03 1s4f h VAL 566 Cb 0.16 1.39 0.00 0.00 -1.52 0.00 0.00 31.29 31.33 1s4f h VAL 566 CO -0.02 0.16 -0.24 0.18 0.02 0.00 0.00 177.57 177.68 1s4f n LEU 567 N -3.86 0.24 0.06 2.57 4.77 -0.27 -3.45 117.00 117.08 1s4f n LEU 567 Ca -0.02 0.26 -0.17 0.00 -0.03 0.00 0.00 56.01 56.04 1s4f n LEU 567 Cb 0.26 -0.38 -0.08 0.00 -2.33 0.00 0.00 43.42 40.89 1s4f n LEU 567 CO 0.33 0.06 0.09 0.28 -1.33 0.00 0.00 177.39 176.82 1s4f h SER 568 N 0.01 0.72 -3.21 -1.43 0.02 0.24 -3.42 113.55 106.46 1s4f h SER 568 Ca 0.00 -0.60 -0.53 0.00 -0.84 0.00 0.00 61.79 59.83 1s4f h SER 568 Cb 0.50 -0.22 0.06 0.00 0.14 0.00 0.00 62.40 62.88 1s4f h SER 568 CO 0.00 1.40 0.83 -1.10 -1.14 0.00 0.00 176.83 176.83 1s4f s GLN 569 N -3.21 4.21 -0.82 3.45 -0.21 -1.18 -3.77 119.66 118.13 1s4f s GLN 569 Ca -0.08 2.40 -0.01 0.00 0.02 0.00 0.00 55.36 57.70 1s4f s GLN 569 Cb 0.08 -3.09 0.00 0.00 1.00 0.00 0.00 33.01 30.99 1s4f s GLN 569 CO 0.90 -0.53 0.61 1.04 -2.12 0.00 0.00 175.29 175.18 1s4f n GLN 570 N 2.72 -1.55 0.22 2.91 6.02 -1.26 -4.84 117.38 121.60 1s4f n GLN 570 Ca 0.09 0.78 0.15 0.00 -0.01 0.00 0.00 57.00 58.02 1s4f n GLN 570 Cb 0.39 -2.35 0.74 0.00 1.02 0.00 0.00 30.24 30.04 1s4f n GLN 570 CO 0.00 0.00 0.00 -1.35 -1.01 0.00 0.00 177.06 174.70 1s4f h PRO 571 N -0.22 0.00 0.16 -1.09 0.11 -1.82 -3.07 132.00 126.07 1s4f h PRO 571 Ca -0.62 0.00 -0.36 0.00 0.11 0.00 0.00 66.00 65.13 1s4f h PRO 571 Cb 1.39 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 32.50 1s4f h PRO 571 CO 0.36 0.00 -1.86 0.93 -0.21 0.00 0.00 178.00 177.23 1s4f h GLU 572 N 0.00 0.34 -6.67 1.05 5.08 -1.94 -3.46 114.58 108.98 1s4f h GLU 572 Ca 0.00 -0.58 -0.52 0.00 -1.00 0.00 0.00 59.36 57.26 1s4f h GLU 572 Cb 0.16 0.22 0.06 0.00 0.50 0.00 0.00 28.75 29.68 1s4f h GLU 572 CO 0.00 1.27 0.94 0.95 -1.00 0.00 0.00 179.01 181.17 1s4f s THR 573 N -2.57 2.25 1.02 1.13 -4.23 -1.16 -4.98 115.64 107.10 1s4f s THR 573 Ca -0.19 0.18 -0.12 0.00 -1.18 0.00 0.00 61.69 60.39 1s4f s THR 573 Cb 0.06 -3.12 0.20 0.00 1.34 0.00 0.00 72.50 70.98 1s4f s THR 573 CO 0.82 0.02 1.07 -1.81 -0.54 0.00 0.00 174.62 174.18 1s4f s ASP 574 N 1.03 2.27 0.57 3.99 1.01 -1.26 -5.02 116.67 119.27 1s4f s ASP 574 Ca 0.71 1.53 -0.04 0.00 0.71 0.00 0.00 52.55 55.46 1s4f s ASP 574 Cb -0.47 -2.21 0.01 0.00 1.01 0.00 0.00 42.92 41.26 1s4f s ASP 574 CO 0.34 -3.40 0.86 -2.16 0.21 0.00 0.00 175.17 171.02 1s4f s PRO 575 N -4.72 2.83 0.57 8.23 0.04 -1.26 -4.65 135.00 136.03 1s4f s PRO 575 Ca 0.66 -0.19 -0.14 0.00 0.04 0.00 0.00 61.00 61.37 1s4f s PRO 575 Cb -0.21 -2.33 -0.06 0.00 0.04 0.00 0.00 34.50 31.94 1s4f s PRO 575 CO 0.60 -0.69 1.01 0.45 0.04 0.00 0.00 177.00 178.42 1s4f s SER 576 N -4.32 6.35 -0.08 6.66 0.15 0.40 -4.93 113.70 117.93 1s4f s SER 576 Ca 0.54 1.53 0.18 0.00 0.70 0.00 0.00 55.95 58.90 1s4f s SER 576 Cb -0.10 -2.49 0.65 0.00 -1.71 0.00 0.00 66.02 62.36 1s4f s SER 576 CO 0.43 -0.78 1.56 0.29 1.20 0.00 0.00 173.24 175.94 1s4f n LYS 577 N -2.16 3.41 -1.15 5.44 5.02 -1.26 -4.47 118.16 123.00 1s4f n LYS 577 Ca 0.07 -2.76 -0.23 0.00 -2.02 0.00 0.00 58.31 53.37 1s4f n LYS 577 Cb 0.54 -1.76 0.16 0.00 -0.02 0.00 0.00 35.03 33.95 1s4f n LYS 577 CO 0.00 0.00 0.00 0.72 -0.52 0.00 0.00 177.40 177.60 1s4f n HIS 578 N 1.06 2.88 -4.28 2.13 8.25 -1.26 -1.86 115.22 122.14 1s4f n HIS 578 Ca 0.24 -1.80 -0.13 0.00 -0.26 0.00 0.00 57.72 55.78 1s4f n HIS 578 Cb 0.79 -0.92 -0.03 0.00 1.12 0.00 0.00 29.99 30.95 1s4f n HIS 578 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 1s4f n ALA 579 N -1.03 0.22 0.02 -1.41 0.00 -1.26 -4.65 120.51 112.40 1s4f n ALA 579 Ca 0.56 -0.96 0.02 0.00 0.00 0.00 0.00 53.44 53.07 1s4f n ALA 579 Cb 1.57 0.58 0.38 0.00 0.00 0.00 0.00 19.45 21.98 1s4f n ALA 579 CO 0.00 0.00 0.00 1.15 0.00 0.00 0.00 177.50 178.65 1s4f h THR 580 N 1.20 1.15 -3.07 0.00 2.02 -1.84 -1.58 112.91 110.79 1s4f h THR 580 Ca -0.16 -0.48 -0.05 0.00 0.77 0.00 0.00 66.41 66.49 1s4f h THR 580 Cb 0.55 0.77 -0.14 0.00 -1.74 0.00 0.00 68.15 67.59 1s4f h THR 580 CO 0.27 0.18 0.03 -0.31 0.37 0.00 0.00 175.52 176.05 1s4f s TYR 581 N -5.19 -0.36 0.22 3.16 1.51 -1.26 -2.44 117.35 112.99 1s4f s TYR 581 Ca -0.08 0.21 -0.00 0.00 -1.01 0.00 0.00 57.07 56.19 1s4f s TYR 581 Cb 0.16 0.36 -0.04 0.00 -0.11 0.00 0.00 41.96 42.32 1s4f s TYR 581 CO 0.74 -0.71 0.11 1.52 -1.11 0.00 0.00 175.55 176.10 1s4f s TYR 582 N -3.25 1.28 0.02 2.71 -0.85 -0.60 -4.36 117.35 112.30 1s4f s TYR 582 Ca -0.01 -1.28 0.06 0.00 -0.52 0.00 0.00 57.07 55.32 1s4f s TYR 582 Cb 0.00 -0.68 -0.02 0.00 0.38 0.00 0.00 41.96 41.64 1s4f s TYR 582 CO -0.08 -0.50 -0.17 1.52 -1.52 0.00 0.00 175.55 174.79 1s4f s TYR 583 N -3.98 1.53 -0.23 -3.49 -0.85 -1.26 -1.66 117.35 107.41 1s4f s TYR 583 Ca 0.37 -0.33 -0.07 0.00 -0.52 0.00 0.00 57.07 56.52 1s4f s TYR 583 Cb 0.07 -0.94 -0.03 0.00 0.38 0.00 0.00 41.96 41.44 1s4f s TYR 583 CO 0.12 0.03 0.05 0.21 -1.52 0.00 0.00 175.55 174.44 1s4f s LYS 584 N -0.84 3.69 0.45 -3.49 2.20 -0.43 -4.66 119.74 116.66 1s4f s LYS 584 Ca 0.06 -0.47 0.00 0.00 -0.36 0.00 0.00 55.97 55.20 1s4f s LYS 584 Cb -0.08 -3.24 0.00 0.00 -1.51 0.00 0.00 37.83 33.00 1s4f s LYS 584 CO 0.01 -0.07 0.00 0.41 -0.36 0.00 0.00 175.35 175.34 1s4f n GLY 585 N 4.55 0.97 3.72 5.54 0.00 -1.26 -0.73 105.19 117.98 1s4f n GLY 585 Ca -0.16 -1.56 -0.39 0.00 0.00 0.00 0.00 46.02 43.91 1s4f n GLY 585 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1s4f s ASP 586 N -4.00 6.80 0.13 1.61 3.68 0.10 -4.94 116.67 120.05 1s4f s ASP 586 Ca 0.00 0.95 -0.25 0.00 2.13 0.00 0.00 52.55 55.39 1s4f s ASP 586 Cb 0.00 -2.33 -0.02 0.00 -1.45 0.00 0.00 42.92 39.12 1s4f s ASP 586 CO 0.00 -0.04 1.63 -0.65 0.13 0.00 0.00 175.17 176.23 1s4f h PRO 587 N 6.74 -0.33 0.00 4.34 0.11 -1.89 0.13 132.00 141.10 1s4f h PRO 587 Ca -0.41 0.02 -0.02 0.00 0.11 0.00 0.00 66.00 65.70 1s4f h PRO 587 Cb 1.19 0.08 -0.00 0.00 0.11 0.00 0.00 31.00 32.37 1s4f h PRO 587 CO 0.76 -0.22 -0.11 0.82 -0.21 0.00 0.00 178.00 179.03 1s4f h ILE 588 N -0.34 0.91 0.00 4.15 1.08 -1.94 0.03 117.51 121.39 1s4f h ILE 588 Ca 0.09 -0.40 -0.10 0.00 -0.39 0.00 0.00 64.86 64.06 1s4f h ILE 588 Cb 0.49 1.23 -0.01 0.00 -3.07 0.00 0.00 36.82 35.45 1s4f h ILE 588 CO -0.31 0.11 -0.46 1.23 -0.69 0.00 0.00 178.15 178.03 1s4f h GLY 589 N 0.43 0.00 1.39 5.37 0.00 -1.18 -3.15 103.07 105.93 1s4f h GLY 589 Ca -0.00 0.00 -0.30 0.00 0.00 0.00 0.00 47.33 47.03 1s4f h GLY 589 CO 0.01 0.00 -1.41 0.00 0.00 0.00 0.00 176.54 175.14 1s4f h ALA 590 N 1.54 0.11 -0.98 3.60 0.00 0.93 -2.91 119.26 121.55 1s4f h ALA 590 Ca -0.00 -0.97 0.21 0.00 0.00 0.00 0.00 54.91 54.15 1s4f h ALA 590 Cb 1.13 0.15 -0.09 0.00 0.00 0.00 0.00 17.79 18.98 1s4f h ALA 590 CO 0.06 0.98 0.62 -0.92 0.00 0.00 0.00 179.25 179.99 1s4f h TYR 591 N 0.09 0.83 -0.22 0.00 3.20 -1.06 0.95 116.97 120.76 1s4f h TYR 591 Ca -0.20 0.03 -0.12 0.00 3.14 0.00 0.00 58.73 61.57 1s4f h TYR 591 Cb 2.03 -0.25 -0.01 0.00 1.54 0.00 0.00 36.73 40.04 1s4f h TYR 591 CO 0.08 0.17 -0.38 -0.22 -1.64 0.00 0.00 178.16 176.17 1s4f h LYS 592 N 0.58 0.49 -0.49 1.82 1.63 -1.52 0.12 116.57 119.21 1s4f h LYS 592 Ca 0.55 -0.24 -0.03 0.00 -0.85 0.00 0.00 60.65 60.08 1s4f h LYS 592 Cb 1.12 -0.00 -0.02 0.00 -0.60 0.00 0.00 32.23 32.72 1s4f h LYS 592 CO -0.31 0.80 0.16 0.22 -3.45 0.00 0.00 179.45 176.87 1s4f h ASP 593 N 0.41 0.65 0.00 4.20 -0.00 0.11 -2.77 116.42 119.02 1s4f h ASP 593 Ca 0.04 -0.09 -0.20 0.00 -0.00 0.00 0.00 57.03 56.79 1s4f h ASP 593 Cb 0.85 -0.17 -0.04 0.00 -0.00 0.00 0.00 39.33 39.98 1s4f h ASP 593 CO 0.07 0.62 -1.80 1.33 -0.00 0.00 0.00 179.24 179.46 1s4f n VAL 594 N -4.33 0.74 0.89 2.25 0.24 -0.83 -4.51 118.33 112.78 1s4f n VAL 594 Ca 0.04 -0.49 0.13 0.00 -2.04 0.00 0.00 64.34 61.98 1s4f n VAL 594 Cb 0.18 -0.59 0.51 0.00 -1.47 0.00 0.00 33.84 32.47 1s4f n VAL 594 CO 0.00 0.00 0.00 -0.38 -2.14 0.00 0.00 176.83 174.31 1s4f n ILE 595 N -2.39 0.16 0.00 1.34 2.08 0.43 -4.90 119.36 116.08 1s4f n ILE 595 Ca -0.18 -0.08 0.00 0.00 0.56 0.00 0.00 62.75 63.05 1s4f n ILE 595 Cb 0.83 -0.42 0.00 0.00 -0.75 0.00 0.00 39.64 39.30 1s4f n ILE 595 CO 0.00 0.00 0.00 0.61 0.56 0.00 0.00 176.55 177.72 1s4f n GLY 596 N 1.45 2.62 3.35 7.39 0.00 -1.04 -4.95 105.19 114.00 1s4f n GLY 596 Ca 0.06 0.00 -0.18 0.00 0.00 0.00 0.00 46.02 45.91 1s4f n GLY 596 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1s4f s ARG 597 N 0.00 1.48 -0.03 1.61 0.52 -1.26 -5.04 118.95 116.23 1s4f s ARG 597 Ca 0.00 -1.81 -0.08 0.00 -0.52 0.00 0.00 55.73 53.32 1s4f s ARG 597 Cb 0.00 -0.39 -0.05 0.00 0.52 0.00 0.00 34.95 35.03 1s4f s ARG 597 CO 0.00 -0.28 0.26 -0.80 0.02 0.00 0.00 175.30 174.50 1s4f s ASN 598 N -3.36 6.53 0.28 0.23 0.02 -1.26 -3.63 114.94 113.75 1s4f s ASN 598 Ca 0.37 0.61 0.01 0.00 -1.02 0.00 0.00 52.86 52.84 1s4f s ASN 598 Cb 0.08 -2.12 0.56 0.00 0.02 0.00 0.00 41.25 39.80 1s4f s ASN 598 CO 0.14 0.31 1.80 0.25 0.02 0.00 0.00 177.10 179.63 1s4f h LEU 599 N 4.42 0.78 -2.00 0.60 6.46 -1.89 -0.66 115.31 123.02 1s4f h LEU 599 Ca -0.52 0.07 0.32 0.00 -0.12 0.00 0.00 57.88 57.63 1s4f h LEU 599 Cb 1.21 -0.08 -0.04 0.00 -0.73 0.00 0.00 40.66 41.02 1s4f h LEU 599 CO 0.63 0.37 0.79 0.28 -0.62 0.00 0.00 178.44 179.89 1s4f h SER 600 N 0.84 0.00 0.88 1.25 0.02 -1.92 0.02 113.55 114.63 1s4f h SER 600 Ca 0.49 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.44 1s4f h SER 600 Cb 0.59 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.13 1s4f h SER 600 CO -0.31 0.00 -0.06 -0.62 -1.14 0.00 0.00 176.83 174.70 1s4f n GLU 601 N -4.20 0.07 -2.10 3.45 1.02 -0.26 -4.61 120.64 114.01 1s4f n GLU 601 Ca 0.23 -0.01 -0.29 0.00 -0.02 0.00 0.00 57.16 57.08 1s4f n GLU 601 Cb 1.16 -1.50 -0.05 0.00 -0.02 0.00 0.00 31.44 31.04 1s4f n GLU 601 CO 0.00 0.00 0.00 -1.17 1.18 0.00 0.00 177.13 177.14 1s4f s LEU 602 N -2.94 3.21 -0.11 -4.62 1.98 -0.01 0.18 118.68 116.37 1s4f s LEU 602 Ca 0.16 -0.66 -0.23 0.00 -2.89 0.00 0.00 54.13 50.51 1s4f s LEU 602 Cb 0.19 -2.56 -0.19 0.00 0.66 0.00 0.00 46.19 44.29 1s4f s LEU 602 CO 0.54 -2.60 0.70 0.50 -1.89 0.00 0.00 176.35 173.60 1s4f h LYS 603 N 11.45 -0.03 -4.19 1.98 3.64 -1.54 -3.44 116.57 124.43 1s4f h LYS 603 Ca 0.07 0.00 -0.16 0.00 -1.27 0.00 0.00 60.65 59.29 1s4f h LYS 603 Cb 1.02 0.01 -0.18 0.00 -0.41 0.00 0.00 32.23 32.66 1s4f h LYS 603 CO 1.23 0.66 -0.69 0.50 -2.27 0.00 0.00 179.45 178.88 1s4f s ARG 604 N -2.48 0.49 0.00 1.90 6.06 -0.19 -4.96 118.95 119.77 1s4f s ARG 604 Ca -0.14 -0.93 0.07 0.00 -2.50 0.00 0.00 55.73 52.23 1s4f s ARG 604 Cb -0.02 0.09 -0.02 0.00 0.06 0.00 0.00 34.95 35.06 1s4f s ARG 604 CO 0.54 -0.06 -0.22 0.99 -2.50 0.00 0.00 175.30 174.05 1s4f s THR 605 N -2.61 1.76 -0.89 4.11 2.01 -1.26 0.55 115.64 119.30 1s4f s THR 605 Ca -0.04 -1.05 -0.23 0.00 0.31 0.00 0.00 61.69 60.69 1s4f s THR 605 Cb -0.02 -1.48 -0.22 0.00 0.01 0.00 0.00 72.50 70.79 1s4f s THR 605 CO -0.05 0.41 2.45 0.61 -0.69 0.00 0.00 174.62 177.35 1s4f n GLY 606 N 2.30 -0.35 0.32 4.40 0.00 0.15 -4.73 105.19 107.28 1s4f n GLY 606 Ca -0.16 0.61 0.13 0.00 0.00 0.00 0.00 46.02 46.59 1s4f n GLY 606 CO 0.00 0.00 0.00 -2.75 0.00 0.00 0.00 173.32 170.57 1s4f h PHE 607 N 12.99 0.06 -0.15 1.61 3.57 -1.96 0.28 116.94 133.33 1s4f h PHE 607 Ca -0.05 0.06 -0.03 0.00 3.53 0.00 0.00 57.97 61.48 1s4f h PHE 607 Cb 1.21 0.12 -0.00 0.00 2.79 0.00 0.00 35.95 40.07 1s4f h PHE 607 CO 1.17 -0.35 -0.04 0.93 -2.23 0.00 0.00 178.31 177.80 1s4f h GLU 608 N 0.07 0.30 -0.47 1.11 4.39 -2.00 -1.70 114.58 116.28 1s4f h GLU 608 Ca 0.56 -0.12 -0.10 0.00 0.34 0.00 0.00 59.36 60.04 1s4f h GLU 608 Cb 1.12 -0.02 -0.01 0.00 -0.10 0.00 0.00 28.75 29.74 1s4f h GLU 608 CO -0.81 0.58 -0.11 -0.22 -1.16 0.00 0.00 179.01 177.29 1s4f h LYS 609 N -0.00 0.91 -0.81 2.33 1.63 -1.62 -1.37 116.57 117.63 1s4f h LYS 609 Ca 0.04 -0.35 -0.03 0.00 -0.85 0.00 0.00 60.65 59.46 1s4f h LYS 609 Cb 0.47 -0.05 -0.04 0.00 -0.60 0.00 0.00 32.23 32.01 1s4f h LYS 609 CO 0.02 1.00 0.40 1.25 -3.45 0.00 0.00 179.45 178.66 1s4f h LEU 610 N 0.75 1.05 0.35 5.20 7.12 -0.51 0.24 115.31 129.51 1s4f h LEU 610 Ca 0.12 -0.12 -0.02 0.00 0.13 0.00 0.00 57.88 57.99 1s4f h LEU 610 Cb 0.66 -0.27 0.00 0.00 -0.53 0.00 0.00 40.66 40.53 1s4f h LEU 610 CO 0.05 0.88 -0.17 0.00 -0.13 0.00 0.00 178.44 179.07 1s4f h ALA 611 N 1.28 -0.47 -0.86 1.25 0.00 -1.03 -1.73 119.26 117.69 1s4f h ALA 611 Ca 0.28 -0.17 0.12 0.00 0.00 0.00 0.00 54.91 55.14 1s4f h ALA 611 Cb 0.10 0.18 -0.08 0.00 0.00 0.00 0.00 17.79 17.99 1s4f h ALA 611 CO -0.04 -0.65 0.49 -0.97 0.00 0.00 0.00 179.25 178.08 1s4f h ASN 612 N -0.71 0.66 0.47 0.00 -0.73 -1.11 0.53 115.58 114.69 1s4f h ASN 612 Ca -0.05 0.06 0.00 0.00 1.87 0.00 0.00 56.30 58.19 1s4f h ASN 612 Cb 0.49 -0.06 0.00 0.00 0.27 0.00 0.00 38.32 39.03 1s4f h ASN 612 CO 0.08 0.34 0.00 0.18 -0.37 0.00 0.00 177.43 177.66 1s4f n LEU 613 N -4.77 0.32 -0.76 0.34 4.77 0.06 -2.32 117.00 114.65 1s4f n LEU 613 Ca 0.16 0.59 0.08 0.00 -0.03 0.00 0.00 56.01 56.81 1s4f n LEU 613 Cb 0.35 -0.57 0.12 0.00 -2.33 0.00 0.00 43.42 41.00 1s4f n LEU 613 CO 0.25 -0.48 0.57 0.59 -1.33 0.00 0.00 177.39 176.99 1s4f n ASN 614 N -1.87 2.71 0.00 -1.43 3.02 0.18 -0.74 115.26 117.13 1s4f n ASN 614 Ca 0.02 -1.79 -0.00 0.00 -0.03 0.00 0.00 54.58 52.78 1s4f n ASN 614 Cb 0.16 -0.11 -0.00 0.00 -0.61 0.00 0.00 39.78 39.21 1s4f n ASN 614 CO 0.00 0.00 0.00 -0.07 -2.62 0.00 0.00 177.26 174.57 1s4f h LEU 615 N 3.17 -0.01 -0.47 3.41 3.38 -0.99 -2.82 115.31 120.98 1s4f h LEU 615 Ca 0.00 0.00 0.19 0.00 0.09 0.00 0.00 57.88 58.16 1s4f h LEU 615 Cb 0.74 0.00 -0.08 0.00 0.09 0.00 0.00 40.66 41.41 1s4f h LEU 615 CO 0.00 -0.01 0.24 -1.54 0.09 0.00 0.00 178.44 177.23 1s4f n SER 616 N -2.13 0.16 -0.24 -0.43 3.41 -1.26 0.14 113.62 113.26 1s4f n SER 616 Ca -0.00 0.78 0.19 0.00 -0.26 0.00 0.00 58.87 59.58 1s4f n SER 616 Cb 0.01 -0.38 0.51 0.00 -0.26 0.00 0.00 64.21 64.09 1s4f n SER 616 CO 0.00 0.00 0.00 -0.07 -0.16 0.00 0.00 175.04 174.81 1s4f h LEU 617 N 0.00 0.40 0.03 1.04 3.38 -1.82 0.39 115.31 118.73 1s4f h LEU 617 Ca 0.39 0.04 -0.37 0.00 0.09 0.00 0.00 57.88 58.04 1s4f h LEU 617 Cb 1.03 -0.03 -0.05 0.00 0.09 0.00 0.00 40.66 41.70 1s4f h LEU 617 CO -0.36 0.16 -2.23 -1.20 0.09 0.00 0.00 178.44 174.89 1s4f n SER 618 N -4.51 1.45 -0.07 -0.43 7.64 0.37 -1.09 113.62 116.98 1s4f n SER 618 Ca 0.19 0.05 -0.11 0.00 1.01 0.00 0.00 58.87 60.02 1s4f n SER 618 Cb 0.69 -0.18 -0.04 0.00 -1.01 0.00 0.00 64.21 63.67 1s4f n SER 618 CO 0.00 0.00 0.00 0.74 -3.01 0.00 0.00 175.04 172.77 1s4f h THR 619 N 0.02 1.21 -0.28 0.44 2.02 -1.03 -2.62 112.91 112.67 1s4f h THR 619 Ca -0.49 -0.70 0.00 0.00 0.77 0.00 0.00 66.41 65.98 1s4f h THR 619 Cb 2.03 1.26 0.00 0.00 -1.74 0.00 0.00 68.15 69.70 1s4f h THR 619 CO 0.00 0.22 0.00 0.18 0.37 0.00 0.00 175.52 176.29 1s4f n LEU 620 N -4.74 1.68 -2.30 2.58 4.77 0.13 -4.92 117.00 114.20 1s4f n LEU 620 Ca -0.04 -0.81 -0.21 0.00 -0.03 0.00 0.00 56.01 54.93 1s4f n LEU 620 Cb 0.18 -0.19 -0.02 0.00 -2.33 0.00 0.00 43.42 41.06 1s4f n LEU 620 CO 0.36 0.40 -0.26 0.61 -1.33 0.00 0.00 177.39 177.18 1s4f n GLY 621 N 1.04 -0.19 0.21 -0.72 0.00 -0.99 -4.88 105.19 99.66 1s4f n GLY 621 Ca 0.12 0.00 0.07 0.00 0.00 0.00 0.00 46.02 46.21 1s4f n GLY 621 CO 0.00 0.00 0.00 -2.08 0.00 0.00 0.00 173.32 171.24 1s4f h VAL 622 N 0.00 0.87 -4.16 1.61 2.07 -1.33 -3.44 116.25 111.87 1s4f h VAL 622 Ca -0.48 -1.20 -0.17 0.00 0.82 0.00 0.00 66.70 65.66 1s4f h VAL 622 Cb 1.36 1.72 -0.15 0.00 -1.52 0.00 0.00 31.29 32.71 1s4f h VAL 622 CO 0.59 0.30 -0.67 -1.66 0.02 0.00 0.00 177.57 176.14 1s4f s TRP 623 N -3.88 0.75 0.32 1.57 1.48 -0.98 -1.62 118.94 116.58 1s4f s TRP 623 Ca -0.01 -1.08 0.06 0.00 -1.06 0.00 0.00 56.10 54.01 1s4f s TRP 623 Cb 0.12 -0.47 -0.02 0.00 -1.16 0.00 0.00 33.47 31.95 1s4f s TRP 623 CO 0.67 -0.35 0.42 0.95 -4.06 0.00 0.00 176.95 174.57 1s4f s THR 624 N -3.87 4.20 -0.71 0.66 -4.23 -1.08 -4.79 115.64 105.82 1s4f s THR 624 Ca 0.14 -1.07 0.17 0.00 -1.18 0.00 0.00 61.69 59.76 1s4f s THR 624 Cb 0.07 -3.45 0.17 0.00 1.34 0.00 0.00 72.50 70.63 1s4f s THR 624 CO -0.04 -0.19 1.53 2.29 -0.54 0.00 0.00 174.62 177.67 1s4f n LYS 625 N -1.55 0.09 -0.12 3.99 2.85 -1.26 -1.71 118.16 120.45 1s4f n LYS 625 Ca -0.02 0.39 0.12 0.00 -1.05 0.00 0.00 58.31 57.74 1s4f n LYS 625 Cb 0.58 -1.70 0.27 0.00 -0.65 0.00 0.00 35.03 33.53 1s4f n LYS 625 CO 0.00 0.00 0.00 0.72 -0.05 0.00 0.00 177.40 178.07 1s4f n HIS 626 N -1.87 0.32 -0.02 5.58 8.25 -1.26 -4.33 115.22 121.89 1s4f n HIS 626 Ca 0.02 -0.16 -0.13 0.00 -0.26 0.00 0.00 57.72 57.19 1s4f n HIS 626 Cb 0.16 0.00 -0.09 0.00 1.12 0.00 0.00 29.99 31.18 1s4f n HIS 626 CO 0.00 0.00 0.00 1.15 0.64 0.00 0.00 176.34 178.13 1s4f h THR 627 N 3.67 1.36 -0.61 1.59 2.02 -1.71 -0.18 112.91 119.05 1s4f h THR 627 Ca 0.00 -1.08 0.12 0.00 0.77 0.00 0.00 66.41 66.22 1s4f h THR 627 Cb 0.80 2.04 -0.10 0.00 -1.74 0.00 0.00 68.15 69.15 1s4f h THR 627 CO 0.00 0.29 0.06 0.28 0.37 0.00 0.00 175.52 176.51 1s4f h SER 628 N -0.38 -0.16 0.90 4.18 0.02 -1.78 -1.55 113.55 114.78 1s4f h SER 628 Ca 0.00 0.14 -0.04 0.00 -0.84 0.00 0.00 61.79 61.05 1s4f h SER 628 Cb 0.48 0.22 0.01 0.00 0.14 0.00 0.00 62.40 63.24 1s4f h SER 628 CO 0.00 -0.07 -0.46 0.50 -1.14 0.00 0.00 176.83 175.67 1s4f h LYS 629 N 0.17 -1.19 -0.73 3.45 3.64 -1.79 -2.91 116.57 117.21 1s4f h LYS 629 Ca 0.32 0.08 0.12 0.00 -1.27 0.00 0.00 60.65 59.90 1s4f h LYS 629 Cb 0.51 0.27 -0.13 0.00 -0.41 0.00 0.00 32.23 32.47 1s4f h LYS 629 CO -0.48 -0.80 -0.37 0.00 -2.27 0.00 0.00 179.45 175.54 1s4f h ARG 630 N -1.24 -0.11 -0.67 1.90 3.08 -0.31 0.39 114.38 117.41 1s4f h ARG 630 Ca -0.12 0.01 0.05 0.00 0.07 0.00 0.00 59.98 59.99 1s4f h ARG 630 Cb 0.96 0.02 -0.04 0.00 0.08 0.00 0.00 29.97 31.00 1s4f h ARG 630 CO 0.18 -0.07 0.44 0.82 -1.07 0.00 0.00 179.97 180.27 1s4f h ILE 631 N -0.11 1.03 0.69 2.04 1.08 -1.35 0.16 117.51 121.05 1s4f h ILE 631 Ca 0.26 -0.25 -0.03 0.00 -0.39 0.00 0.00 64.86 64.45 1s4f h ILE 631 Cb 0.57 0.25 0.01 0.00 -3.07 0.00 0.00 36.82 34.57 1s4f h ILE 631 CO -0.79 0.13 -0.33 0.40 -0.69 0.00 0.00 178.15 176.87 1s4f h ILE 632 N 0.72 0.00 -1.02 -0.67 2.04 -0.19 -2.44 117.51 115.95 1s4f h ILE 632 Ca 0.29 -0.24 0.24 0.00 1.00 0.00 0.00 64.86 66.15 1s4f h ILE 632 Cb 0.21 0.00 -0.10 0.00 -0.74 0.00 0.00 36.82 36.19 1s4f h ILE 632 CO -0.09 0.00 0.64 1.56 0.00 0.00 0.00 178.15 180.26 1s4f h GLN 633 N -1.17 0.48 -0.75 2.37 4.20 -0.15 0.92 115.11 121.00 1s4f h GLN 633 Ca -0.09 -0.03 -0.02 0.00 0.06 0.00 0.00 58.65 58.57 1s4f h GLN 633 Cb 0.71 -0.11 -0.04 0.00 0.30 0.00 0.00 27.48 28.35 1s4f h GLN 633 CO 0.16 0.32 0.39 -0.44 -0.67 0.00 0.00 178.83 178.58 1s4f h ASP 634 N 0.49 0.95 0.37 1.46 3.45 -0.63 -0.92 116.42 121.59 1s4f h ASP 634 Ca 0.59 -0.09 -0.02 0.00 0.43 0.00 0.00 57.03 57.95 1s4f h ASP 634 Cb 1.33 -0.24 0.00 0.00 -0.56 0.00 0.00 39.33 39.86 1s4f h ASP 634 CO -0.34 0.78 -0.18 0.00 -1.57 0.00 0.00 179.24 177.94 1s4f h VAL 636 N -0.94 0.15 0.00 0.00 2.07 -0.65 0.93 116.25 117.81 1s4f h VAL 636 Ca -0.05 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.47 1s4f h VAL 636 Cb 0.53 0.15 0.00 0.00 -1.52 0.00 0.00 31.29 30.45 1s4f h VAL 636 CO 0.08 0.00 0.00 0.00 0.02 0.00 0.00 177.57 177.67 1s4f n ALA 637 N -3.23 0.00 -0.41 1.67 0.00 -0.36 -0.09 120.51 118.09 1s4f n ALA 637 Ca 0.07 0.00 0.39 0.00 0.00 0.00 0.00 53.44 53.90 1s4f n ALA 637 Cb 0.37 0.26 0.76 0.00 0.00 0.00 0.00 19.45 20.84 1s4f n ALA 637 CO 0.00 0.00 0.00 0.82 0.00 0.00 0.00 177.50 178.32 1s4f h ILE 638 N 0.00 0.32 -0.52 0.00 2.04 -1.02 -2.09 117.51 116.23 1s4f h ILE 638 Ca 0.00 -0.01 0.00 0.00 1.00 0.00 0.00 64.86 65.85 1s4f h ILE 638 Cb 0.00 0.30 0.00 0.00 -0.74 0.00 0.00 36.82 36.38 1s4f h ILE 638 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 178.15 178.76 1s4f n GLY 639 N -1.79 3.11 0.09 5.37 0.00 0.87 -4.54 105.19 108.31 1s4f n GLY 639 Ca 0.30 -0.88 -0.16 0.00 0.00 0.00 0.00 46.02 45.28 1s4f n GLY 639 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1s4f h LYS 640 N 3.44 0.00 -6.99 1.61 1.57 -0.13 -3.43 116.57 112.64 1s4f h LYS 640 Ca 0.00 0.00 -0.55 0.00 -1.87 0.00 0.00 60.65 58.23 1s4f h LYS 640 Cb 1.58 0.00 0.17 0.00 0.08 0.00 0.00 32.23 34.06 1s4f h LYS 640 CO 0.30 0.78 0.18 -0.85 -0.57 0.00 0.00 179.45 179.28 1s4f n GLU 641 N -4.53 0.58 -1.68 3.15 0.28 -1.26 -4.89 120.64 112.30 1s4f n GLU 641 Ca -0.21 0.26 -0.41 0.00 -0.16 0.00 0.00 57.16 56.64 1s4f n GLU 641 Cb 0.52 -2.28 0.01 0.00 1.43 0.00 0.00 31.44 31.13 1s4f n GLU 641 CO 0.00 0.00 0.00 0.39 -0.16 0.00 0.00 177.13 177.36 1s4f n GLU 642 N -1.94 1.76 0.00 3.44 -0.58 -1.26 -4.88 120.64 117.18 1s4f n GLU 642 Ca 0.13 0.63 0.00 0.00 -0.42 0.00 0.00 57.16 57.50 1s4f n GLU 642 Cb 0.49 -2.30 0.00 0.00 -0.57 0.00 0.00 31.44 29.06 1s4f n GLU 642 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 1s4f n GLY 643 N 0.91 1.50 3.24 0.62 0.00 -1.26 -4.99 105.19 105.20 1s4f n GLY 643 Ca 0.08 -1.62 -0.43 0.00 0.00 0.00 0.00 46.02 44.05 1s4f n GLY 643 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 1s4f n ASN 644 N 0.00 5.34 -4.54 1.61 5.15 -1.26 -4.91 115.26 116.65 1s4f n ASN 644 Ca 0.00 -3.11 -0.42 0.00 -0.60 0.00 0.00 54.58 50.45 1s4f n ASN 644 Cb 0.00 -1.29 -0.03 0.00 -0.53 0.00 0.00 39.78 37.93 1s4f n ASN 644 CO 0.00 0.00 0.00 0.26 1.40 0.00 0.00 177.26 178.92 1s4f s TRP 645 N -1.52 2.59 0.48 1.20 0.23 -1.26 -4.91 118.94 115.75 1s4f s TRP 645 Ca 0.31 0.05 0.05 0.00 -2.03 0.00 0.00 56.10 54.48 1s4f s TRP 645 Cb -0.07 -4.39 0.27 0.00 0.03 0.00 0.00 33.47 29.31 1s4f s TRP 645 CO -0.07 -1.65 1.05 1.25 0.96 0.00 0.00 176.95 178.50 1s4f h LEU 646 N 11.85 0.00 -1.21 2.99 6.46 -1.95 0.25 115.31 133.70 1s4f h LEU 646 Ca -0.27 0.00 0.00 0.00 -0.12 0.00 0.00 57.88 57.49 1s4f h LEU 646 Cb 1.06 0.00 0.00 0.00 -0.73 0.00 0.00 40.66 40.99 1s4f h LEU 646 CO 1.18 0.00 0.00 1.33 -0.62 0.00 0.00 178.44 180.33 1s4f n VAL 647 N -2.25 0.45 -0.02 1.05 0.24 -1.26 -3.87 118.33 112.68 1s4f n VAL 647 Ca -0.00 -0.26 -0.12 0.00 -2.04 0.00 0.00 64.34 61.91 1s4f n VAL 647 Cb 0.77 -0.26 -0.14 0.00 -1.47 0.00 0.00 33.84 32.74 1s4f n VAL 647 CO 0.00 0.00 0.00 0.29 -2.14 0.00 0.00 176.83 174.98 1s4f n LYS 648 N 0.07 0.67 0.00 7.34 4.76 0.87 -3.91 118.16 127.97 1s4f n LYS 648 Ca 0.06 0.27 0.00 0.00 -2.87 0.00 0.00 58.31 55.77 1s4f n LYS 648 Cb 0.34 -1.75 0.00 0.00 -1.84 0.00 0.00 35.03 31.78 1s4f n LYS 648 CO 0.00 0.00 0.00 -2.30 -1.37 0.00 0.00 177.40 173.73 1s4f n PRO 649 N -3.16 0.00 -2.76 1.97 -0.02 -1.25 -3.70 135.00 126.09 1s4f n PRO 649 Ca -0.22 0.12 -0.42 0.00 -2.02 0.00 0.00 63.50 60.95 1s4f n PRO 649 Cb 1.06 -1.64 -0.04 0.00 -0.02 0.00 0.00 33.50 32.86 1s4f n PRO 649 CO 0.00 0.00 0.00 0.34 1.98 0.00 0.00 175.50 177.82 1s4f s ASP 650 N -1.98 6.24 0.35 2.55 2.15 -1.25 -3.45 116.67 121.26 1s4f s ASP 650 Ca 0.00 -0.60 0.16 0.00 0.43 0.00 0.00 52.55 52.54 1s4f s ASP 650 Cb 0.00 -2.47 1.17 0.00 -0.30 0.00 0.00 42.92 41.33 1s4f s ASP 650 CO 0.00 -1.49 1.62 0.03 -0.17 0.00 0.00 175.17 175.16 1s4f h ARG 651 N 9.61 0.13 0.52 4.34 3.08 -1.81 0.62 114.38 130.86 1s4f h ARG 651 Ca -0.28 -0.01 -0.03 0.00 0.07 0.00 0.00 59.98 59.74 1s4f h ARG 651 Cb 1.07 -0.03 0.01 0.00 0.08 0.00 0.00 29.97 31.09 1s4f h ARG 651 CO 1.18 0.09 -0.25 1.25 -1.07 0.00 0.00 179.97 181.17 1s4f h LEU 652 N 0.14 -0.59 -1.10 3.04 5.85 -1.90 0.59 115.31 121.34 1s4f h LEU 652 Ca 0.77 -0.06 0.17 0.00 0.84 0.00 0.00 57.88 59.60 1s4f h LEU 652 Cb 1.90 0.15 -0.09 0.00 0.37 0.00 0.00 40.66 42.99 1s4f h LEU 652 CO -0.71 -0.22 0.61 0.40 -0.34 0.00 0.00 178.44 178.18 1s4f h ILE 653 N -1.00 0.78 0.25 4.05 5.03 -1.40 0.59 117.51 125.80 1s4f h ILE 653 Ca -0.07 -0.27 -0.01 0.00 -0.12 0.00 0.00 64.86 64.39 1s4f h ILE 653 Cb 0.61 -0.07 -0.01 0.00 -3.03 0.00 0.00 36.82 34.33 1s4f h ILE 653 CO 0.12 0.14 -0.20 -1.28 -0.68 0.00 0.00 178.15 176.25 1s4f h SER 654 N 0.78 -0.53 -0.92 1.72 0.87 0.49 -0.85 113.55 115.10 1s4f h SER 654 Ca 0.53 0.04 0.23 0.00 -1.23 0.00 0.00 61.79 61.36 1s4f h SER 654 Cb 0.80 0.17 -0.17 0.00 -0.44 0.00 0.00 62.40 62.76 1s4f h SER 654 CO -0.30 -0.28 -0.02 -1.28 -0.53 0.00 0.00 176.83 174.41 1s4f h SER 655 N -0.44 -0.51 1.12 6.23 0.87 0.13 0.11 113.55 121.06 1s4f h SER 655 Ca -0.03 0.26 -0.04 0.00 -1.23 0.00 0.00 61.79 60.75 1s4f h SER 655 Cb 0.36 0.47 -0.01 0.00 -0.44 0.00 0.00 62.40 62.79 1s4f h SER 655 CO 0.00 -0.30 -0.17 0.11 -0.53 0.00 0.00 176.83 175.94 1s4f h LYS 656 N 0.04 0.00 0.00 2.24 1.57 -0.66 -3.31 116.57 116.44 1s4f h LYS 656 Ca 0.53 0.00 -0.22 0.00 -1.87 0.00 0.00 60.65 59.09 1s4f h LYS 656 Cb 1.00 0.00 -0.04 0.00 0.08 0.00 0.00 32.23 33.27 1s4f h LYS 656 CO -0.87 0.17 -2.17 0.25 -0.57 0.00 0.00 179.45 176.26 1s4f n THR 657 N -3.27 0.83 -0.82 -0.16 -2.24 0.17 -4.99 114.28 103.80 1s4f n THR 657 Ca 0.01 -0.68 0.00 0.00 -2.27 0.00 0.00 64.05 61.10 1s4f n THR 657 Cb 0.44 -0.30 0.00 0.00 -2.10 0.00 0.00 70.33 68.37 1s4f n THR 657 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1s4f n GLY 658 N 1.65 0.54 3.12 3.38 0.00 0.03 -4.83 105.19 109.07 1s4f n GLY 658 Ca -0.21 -0.47 -0.22 0.00 0.00 0.00 0.00 46.02 45.12 1s4f n GLY 658 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 1s4f s HIS 659 N -2.00 1.27 0.51 1.61 3.76 -1.25 -5.08 115.29 114.10 1s4f s HIS 659 Ca 0.00 -0.27 0.08 0.00 -0.15 0.00 0.00 55.06 54.71 1s4f s HIS 659 Cb 0.00 -0.79 0.04 0.00 1.11 0.00 0.00 32.58 32.93 1s4f s HIS 659 CO 0.00 -0.00 0.55 -0.51 -0.85 0.00 0.00 174.74 173.93 1s4f s LEU 660 N -0.59 3.11 -0.12 0.89 1.43 -1.26 -4.56 118.68 117.58 1s4f s LEU 660 Ca 0.04 -0.90 0.02 0.00 -1.03 0.00 0.00 54.13 52.27 1s4f s LEU 660 Cb -0.06 -1.71 -0.00 0.00 0.03 0.00 0.00 46.19 44.45 1s4f s LEU 660 CO 0.00 -1.04 -0.20 -0.47 0.23 0.00 0.00 176.35 174.87 1s4f s TYR 661 N -2.62 2.67 -0.51 0.29 5.04 -1.26 -4.54 117.35 116.43 1s4f s TYR 661 Ca 0.49 -1.01 -0.16 0.00 -2.44 0.00 0.00 57.07 53.95 1s4f s TYR 661 Cb -0.05 -1.79 0.09 0.00 0.35 0.00 0.00 41.96 40.57 1s4f s TYR 661 CO 0.30 -0.42 0.48 0.42 -1.34 0.00 0.00 175.55 174.99 1s4f s ILE 662 N 0.51 5.15 1.22 3.14 1.09 -1.26 -4.90 121.20 126.16 1s4f s ILE 662 Ca -0.13 -1.15 -0.17 0.00 -1.10 0.00 0.00 60.65 58.11 1s4f s ILE 662 Cb -0.17 -4.25 0.30 0.00 -1.06 0.00 0.00 42.46 37.28 1s4f s ILE 662 CO 0.05 -0.75 1.03 -2.84 -0.10 0.00 0.00 174.94 172.32 1s4f s PRO 663 N 1.82 -1.38 0.03 2.79 0.02 -1.26 -5.09 135.00 131.93 1s4f s PRO 663 Ca 0.05 0.38 -0.02 0.00 0.02 0.00 0.00 61.00 61.44 1s4f s PRO 663 Cb -0.26 -1.54 -0.02 0.00 0.02 0.00 0.00 34.50 32.70 1s4f s PRO 663 CO 0.06 -3.91 0.00 -0.51 -0.33 0.00 0.00 177.00 172.30 1s4f s ASP 664 N -3.13 0.27 0.15 2.53 1.01 -1.26 -5.03 116.67 111.20 1s4f s ASP 664 Ca 0.68 -0.58 -0.23 0.00 0.71 0.00 0.00 52.55 53.13 1s4f s ASP 664 Cb -0.18 0.15 -0.14 0.00 1.01 0.00 0.00 42.92 43.76 1s4f s ASP 664 CO 0.60 -0.39 0.45 0.29 0.21 0.00 0.00 175.17 176.32 1s4f n LYS 665 N 1.17 0.00 -3.71 8.23 4.76 -1.26 -3.93 118.16 123.42 1s4f n LYS 665 Ca -0.21 0.00 -0.12 0.00 -2.87 0.00 0.00 58.31 55.11 1s4f n LYS 665 Cb 0.57 -0.83 -0.10 0.00 -1.84 0.00 0.00 35.03 32.82 1s4f n LYS 665 CO 0.00 0.00 0.00 0.20 -1.37 0.00 0.00 177.40 176.23 1s4f s GLY 666 N -0.75 -0.32 -0.08 0.72 0.00 -1.23 -0.72 107.32 104.93 1s4f s GLY 666 Ca 0.53 1.34 0.01 0.00 0.00 0.00 0.00 44.72 46.60 1s4f s GLY 666 CO 0.45 1.31 -0.11 -1.36 0.00 0.00 0.00 173.10 173.39 1s4f s PHE 667 N 0.73 1.51 0.16 1.90 0.40 0.09 -3.46 117.98 119.33 1s4f s PHE 667 Ca -0.04 -0.63 -0.28 0.00 -0.60 0.00 0.00 56.93 55.37 1s4f s PHE 667 Cb -0.05 -1.15 -0.07 0.00 0.51 0.00 0.00 43.02 42.26 1s4f s PHE 667 CO -0.05 -0.36 0.89 0.99 0.70 0.00 0.00 175.22 177.39 1s4f s THR 668 N 0.98 4.34 0.01 0.64 2.01 -1.26 -1.32 115.64 121.04 1s4f s THR 668 Ca -0.08 1.95 0.02 0.00 0.31 0.00 0.00 61.69 63.89 1s4f s THR 668 Cb -0.15 -4.26 -0.01 0.00 0.01 0.00 0.00 72.50 68.09 1s4f s THR 668 CO -0.00 0.43 -0.08 -0.76 -0.69 0.00 0.00 174.62 173.52 1s4f s LEU 669 N -0.68 2.09 0.10 4.42 1.02 -0.67 -4.97 118.68 119.99 1s4f s LEU 669 Ca 0.41 -0.25 -0.31 0.00 0.02 0.00 0.00 54.13 54.00 1s4f s LEU 669 Cb -0.24 -0.33 -0.07 0.00 0.02 0.00 0.00 46.19 45.57 1s4f s LEU 669 CO 0.29 0.01 1.30 -1.10 0.02 0.00 0.00 176.35 176.87 1s4f s GLN 670 N -0.59 4.37 0.00 1.70 -0.21 -1.26 -1.56 119.66 122.12 1s4f s GLN 670 Ca -0.00 1.94 0.00 0.00 0.02 0.00 0.00 55.36 57.32 1s4f s GLN 670 Cb -0.05 -3.29 0.00 0.00 1.00 0.00 0.00 33.01 30.68 1s4f s GLN 670 CO 0.00 -0.35 0.00 0.41 -2.12 0.00 0.00 175.29 173.23 1s4f n GLY 671 N 3.30 2.32 0.40 3.09 0.00 -1.02 -4.84 105.19 108.44 1s4f n GLY 671 Ca 0.10 -1.88 -0.14 0.00 0.00 0.00 0.00 46.02 44.10 1s4f n GLY 671 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1s4f h LYS 672 N 0.00 -0.58 -5.55 1.61 1.57 -0.54 -3.38 116.57 109.70 1s4f h LYS 672 Ca 0.00 0.04 -0.23 0.00 -1.87 0.00 0.00 60.65 58.59 1s4f h LYS 672 Cb 0.00 0.13 -0.01 0.00 0.08 0.00 0.00 32.23 32.43 1s4f h LYS 672 CO 0.00 -0.39 0.72 -1.01 -0.57 0.00 0.00 179.45 178.21 1s4f s HIS 673 N -5.30 1.29 0.00 -1.35 3.76 -1.07 -4.98 115.29 107.64 1s4f s HIS 673 Ca -0.14 1.52 0.00 0.00 -0.15 0.00 0.00 55.06 56.29 1s4f s HIS 673 Cb 0.05 -3.65 0.00 0.00 1.11 0.00 0.00 32.58 30.09 1s4f s HIS 673 CO 0.51 -1.94 0.00 2.48 -0.85 0.00 0.00 174.74 174.94