#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3brw n VAL 79 N 0.00 0.00 -1.09 3.15 3.14 -1.26 -5.13 118.33 117.14 3brw n VAL 79 Ca 0.00 0.00 -0.30 0.00 -2.96 0.00 0.00 64.34 61.08 3brw n VAL 79 Cb 0.00 0.00 0.15 0.00 -1.06 0.00 0.00 33.84 32.93 3brw n VAL 79 CO 0.00 0.00 0.00 -0.54 -6.46 0.00 0.00 176.83 169.83 3brw s LYS 80 N 0.00 1.11 -0.25 1.45 1.02 -1.26 -5.02 119.74 116.80 3brw s LYS 80 Ca 0.00 0.94 -0.07 0.00 0.02 0.00 0.00 55.97 56.86 3brw s LYS 80 Cb 0.00 -1.78 -0.02 0.00 -0.52 0.00 0.00 37.83 35.50 3brw s LYS 80 CO 0.00 -2.37 0.06 -0.51 -0.92 0.00 0.00 175.35 171.61 3brw s LEU 81 N -6.33 3.41 -1.23 3.17 1.02 -1.26 -4.88 118.68 112.57 3brw s LEU 81 Ca 0.64 -0.27 -0.14 0.00 0.02 0.00 0.00 54.13 54.38 3brw s LEU 81 Cb -0.19 -1.90 -0.05 0.00 0.02 0.00 0.00 46.19 44.07 3brw s LEU 81 CO 0.58 -0.05 2.29 -0.62 0.02 0.00 0.00 176.35 178.57 3brw n GLU 82 N 4.91 2.57 -4.06 1.70 1.02 -1.26 -4.91 120.64 120.60 3brw n GLU 82 Ca -0.16 -2.14 -0.33 0.00 -0.02 0.00 0.00 57.16 54.51 3brw n GLU 82 Cb 0.51 -2.95 -0.07 0.00 -0.02 0.00 0.00 31.44 28.91 3brw n GLU 82 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 3brw n ASN 84 N 1.06 1.60 0.00 0.00 4.05 -1.26 -4.81 115.26 115.90 3brw n ASN 84 Ca -0.12 0.56 0.06 0.00 0.45 0.00 0.00 54.58 55.52 3brw n ASN 84 Cb 0.53 -1.11 0.34 0.00 1.23 0.00 0.00 39.78 40.76 3brw n ASN 84 CO 0.00 0.00 0.00 -0.81 -3.05 0.00 0.00 177.26 173.40 3brw n PRO 85 N 7.75 0.79 0.07 1.20 -0.04 -1.26 -2.30 135.00 141.21 3brw n PRO 85 Ca 0.46 0.00 0.03 0.00 -0.04 0.00 0.00 63.50 63.95 3brw n PRO 85 Cb 0.12 -1.23 -0.04 0.00 -0.04 0.00 0.00 33.50 32.31 3brw n PRO 85 CO 0.00 0.00 0.00 1.15 -0.04 0.00 0.00 175.50 176.61 3brw h THR 86 N 0.00 0.47 0.00 0.52 2.02 -1.98 -3.30 112.91 110.64 3brw h THR 86 Ca 0.00 -1.83 0.00 0.00 0.77 0.00 0.00 66.41 65.35 3brw h THR 86 Cb 0.00 2.01 0.00 0.00 -1.74 0.00 0.00 68.15 68.42 3brw h THR 86 CO 0.00 0.27 0.00 0.00 0.37 0.00 0.00 175.52 176.16 3brw h ALA 87 N 1.56 1.00 0.00 6.16 0.00 -1.68 -3.15 119.26 123.14 3brw h ALA 87 Ca -0.10 0.00 -0.30 0.00 0.00 0.00 0.00 54.91 54.51 3brw h ALA 87 Cb 1.42 0.00 -0.05 0.00 0.00 0.00 0.00 17.79 19.16 3brw h ALA 87 CO 0.04 0.00 -1.91 0.54 0.00 0.00 0.00 179.25 177.92 3brw n ARG 88 N -2.64 0.65 -0.25 0.00 5.12 -1.24 -4.42 116.66 113.88 3brw n ARG 88 Ca 0.00 0.18 0.08 0.00 -1.93 0.00 0.00 57.85 56.19 3brw n ARG 88 Cb 0.20 -1.70 0.33 0.00 -1.16 0.00 0.00 32.46 30.13 3brw n ARG 88 CO 0.00 0.00 0.00 0.82 -1.93 0.00 0.00 177.63 176.52 3brw h ILE 89 N 0.00 0.95 0.31 0.55 2.04 -1.66 -1.75 117.51 117.95 3brw h ILE 89 Ca -0.35 -0.28 -0.02 0.00 1.00 0.00 0.00 64.86 65.22 3brw h ILE 89 Cb 2.03 0.08 0.00 0.00 -0.74 0.00 0.00 36.82 38.19 3brw h ILE 89 CO 0.06 0.15 -0.15 0.22 0.00 0.00 0.00 178.15 178.43 3brw h TYR 90 N 0.80 -0.39 -0.71 1.37 5.03 -1.78 -2.70 116.97 118.59 3brw h TYR 90 Ca 0.39 -0.01 -0.04 0.00 2.58 0.00 0.00 58.73 61.65 3brw h TYR 90 Cb 0.44 0.13 -0.03 0.00 1.55 0.00 0.00 36.73 38.82 3brw h TYR 90 CO -0.00 -0.12 0.28 -0.09 -1.32 0.00 0.00 178.16 176.91 3brw h ARG 91 N -0.62 1.05 0.64 1.82 2.43 -1.70 0.87 114.38 118.87 3brw h ARG 91 Ca -0.04 -0.18 -0.03 0.00 -0.81 0.00 0.00 59.98 58.92 3brw h ARG 91 Cb 0.44 -0.18 -0.00 0.00 -0.42 0.00 0.00 29.97 29.82 3brw h ARG 91 CO 0.07 0.86 -0.36 -0.22 -1.51 0.00 0.00 179.97 178.82 3brw h LYS 92 N 1.03 -0.89 0.00 0.20 3.64 -1.34 -3.34 116.57 115.87 3brw h LYS 92 Ca 0.24 0.06 -0.32 0.00 -1.27 0.00 0.00 60.65 59.36 3brw h LYS 92 Cb 0.20 0.20 -0.06 0.00 -0.41 0.00 0.00 32.23 32.17 3brw h LYS 92 CO -0.02 -0.59 -2.21 0.72 -2.27 0.00 0.00 179.45 175.07 3brw n HIS 93 N -5.50 0.00 -0.06 1.91 8.25 -1.02 -4.76 115.22 114.03 3brw n HIS 93 Ca -0.13 0.00 -0.22 0.00 -0.26 0.00 0.00 57.72 57.11 3brw n HIS 93 Cb 0.39 -0.85 -0.13 0.00 1.12 0.00 0.00 29.99 30.52 3brw n HIS 93 CO 0.00 0.00 0.00 1.19 0.64 0.00 0.00 176.34 178.17 3brw n PHE 94 N -2.83 0.89 -1.99 4.41 3.01 0.23 -4.74 117.46 116.45 3brw n PHE 94 Ca -0.32 0.26 -0.42 0.00 1.01 0.00 0.00 57.45 57.98 3brw n PHE 94 Cb 1.01 -1.11 -0.03 0.00 -0.01 0.00 0.00 39.48 39.35 3brw n PHE 94 CO 0.00 0.00 0.00 -1.17 1.01 0.00 0.00 176.76 176.60 3brw s LEU 95 N -7.27 4.38 0.00 4.37 2.96 -0.77 -2.29 118.68 120.06 3brw s LEU 95 Ca -0.28 2.65 0.00 0.00 -0.22 0.00 0.00 54.13 56.28 3brw s LEU 95 Cb 0.08 -3.61 0.00 0.00 0.50 0.00 0.00 46.19 43.15 3brw s LEU 95 CO 0.66 -0.75 0.00 0.61 -1.32 0.00 0.00 176.35 175.56 3brw n GLY 96 N 2.73 0.73 3.39 7.98 0.00 -1.26 -4.95 105.19 113.82 3brw n GLY 96 Ca 0.09 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.90 3brw n GLY 96 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3brw s LYS 97 N -0.24 1.45 -0.40 1.61 1.02 -0.97 -5.07 119.74 117.15 3brw s LYS 97 Ca 0.00 -1.61 -0.30 0.00 0.02 0.00 0.00 55.97 54.08 3brw s LYS 97 Cb 0.00 -1.42 -0.09 0.00 -0.52 0.00 0.00 37.83 35.80 3brw s LYS 97 CO 0.00 0.26 2.31 0.39 -0.92 0.00 0.00 175.35 177.40 3brw n GLU 98 N -0.29 1.29 -3.84 1.68 1.02 -1.26 -4.91 120.64 114.33 3brw n GLU 98 Ca -0.08 0.26 -0.10 0.00 -0.02 0.00 0.00 57.16 57.22 3brw n GLU 98 Cb 0.59 -2.97 -0.06 0.00 -0.02 0.00 0.00 31.44 28.99 3brw n GLU 98 CO 0.00 0.00 0.00 -3.38 1.18 0.00 0.00 177.13 174.93 3brw s HIS 99 N 9.35 0.13 0.09 -0.32 -3.43 -1.26 -4.50 115.29 115.36 3brw s HIS 99 Ca 1.05 -0.50 0.09 0.00 -0.80 0.00 0.00 55.06 54.90 3brw s HIS 99 Cb -0.49 0.10 -0.04 0.00 -1.43 0.00 0.00 32.58 30.72 3brw s HIS 99 CO 0.37 -0.73 -0.20 -0.06 -2.00 0.00 0.00 174.74 172.12 3brw s PHE 100 N -3.90 2.49 -0.11 0.38 0.40 -0.20 -4.99 117.98 112.05 3brw s PHE 100 Ca 0.11 -0.29 -0.00 0.00 -0.60 0.00 0.00 56.93 56.15 3brw s PHE 100 Cb 0.02 -1.37 0.02 0.00 0.51 0.00 0.00 43.02 42.21 3brw s PHE 100 CO -0.05 0.32 -0.08 -0.80 0.70 0.00 0.00 175.22 175.31 3brw s ASN 101 N -1.87 2.16 0.21 1.36 0.01 -1.26 -1.14 114.94 114.41 3brw s ASN 101 Ca 0.16 -0.31 0.11 0.00 -0.71 0.00 0.00 52.86 52.11 3brw s ASN 101 Cb -0.10 -0.85 -0.05 0.00 0.41 0.00 0.00 41.25 40.66 3brw s ASN 101 CO 0.08 -0.10 -0.21 -0.31 -1.51 0.00 0.00 177.10 175.05 3brw s TYR 102 N 1.59 2.13 0.07 2.20 1.51 0.62 0.58 117.35 126.05 3brw s TYR 102 Ca 0.03 -0.39 0.02 0.00 -1.01 0.00 0.00 57.07 55.72 3brw s TYR 102 Cb -0.13 -1.01 -0.03 0.00 -0.11 0.00 0.00 41.96 40.68 3brw s TYR 102 CO -0.07 0.51 -0.07 1.52 -1.11 0.00 0.00 175.55 176.33 3brw s TYR 103 N -2.12 0.79 -0.05 2.71 -0.85 0.16 0.12 117.35 118.11 3brw s TYR 103 Ca 0.22 -0.71 -0.31 0.00 -0.52 0.00 0.00 57.07 55.76 3brw s TYR 103 Cb -0.06 -0.46 0.07 0.00 0.38 0.00 0.00 41.96 41.89 3brw s TYR 103 CO 0.10 -0.12 0.70 0.45 -1.52 0.00 0.00 175.55 175.17 3brw s SER 104 N -2.33 -0.64 -0.33 -0.18 0.15 -0.95 -0.38 113.70 109.04 3brw s SER 104 Ca 0.01 0.69 -0.13 0.00 0.70 0.00 0.00 55.95 57.22 3brw s SER 104 Cb -0.02 0.52 -0.02 0.00 -1.71 0.00 0.00 66.02 64.79 3brw s SER 104 CO -0.02 -0.60 0.24 -0.22 1.20 0.00 0.00 173.24 173.84 3brw s LEU 105 N -1.21 4.41 -0.23 3.45 2.96 -1.26 -1.20 118.68 125.60 3brw s LEU 105 Ca -0.10 -0.32 -0.14 0.00 -0.22 0.00 0.00 54.13 53.34 3brw s LEU 105 Cb -0.00 -2.15 -0.04 0.00 0.50 0.00 0.00 46.19 44.50 3brw s LEU 105 CO 0.09 -0.20 0.32 -0.62 -1.32 0.00 0.00 176.35 174.62 3brw s ASP 106 N 1.73 6.29 0.65 3.68 3.68 0.13 -4.95 116.67 127.89 3brw s ASP 106 Ca 0.07 0.33 0.43 0.00 2.13 0.00 0.00 52.55 55.51 3brw s ASP 106 Cb -0.17 -2.19 2.31 0.00 -1.45 0.00 0.00 42.92 41.42 3brw s ASP 106 CO 0.11 -0.06 2.33 0.71 0.13 0.00 0.00 175.17 178.39 3brw h THR 107 N 5.12 0.01 0.00 1.71 1.35 -1.85 -0.26 112.91 118.99 3brw h THR 107 Ca -0.36 -0.06 -0.28 0.00 -0.55 0.00 0.00 66.41 65.16 3brw h THR 107 Cb 1.17 1.06 -0.04 0.00 -1.73 0.00 0.00 68.15 68.60 3brw h THR 107 CO 0.68 0.00 -1.66 0.00 -0.25 0.00 0.00 175.52 174.29 3brw n ALA 108 N -2.09 0.92 0.84 6.62 0.00 -1.26 -4.74 120.51 120.80 3brw n ALA 108 Ca -0.03 -0.74 0.10 0.00 0.00 0.00 0.00 53.44 52.77 3brw n ALA 108 Cb 0.10 -0.19 0.09 0.00 0.00 0.00 0.00 19.45 19.44 3brw n ALA 108 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 3brw n LEU 109 N -4.38 2.70 0.00 0.00 4.77 -1.16 -5.09 117.00 113.84 3brw n LEU 109 Ca -0.37 -1.01 0.00 0.00 -0.03 0.00 0.00 56.01 54.61 3brw n LEU 109 Cb 0.71 -0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.79 3brw n LEU 109 CO 0.12 0.46 0.00 0.61 -1.33 0.00 0.00 177.39 177.26 3brw n GLY 110 N 1.15 -0.16 3.78 -0.72 0.00 -0.12 -4.30 105.19 104.82 3brw n GLY 110 Ca 0.12 -1.15 -0.36 0.00 0.00 0.00 0.00 46.02 44.64 3brw n GLY 110 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 3brw s HIS 111 N 0.00 2.82 -0.03 1.61 3.76 -1.26 -0.69 115.29 121.50 3brw s HIS 111 Ca 0.00 1.55 0.01 0.00 -0.15 0.00 0.00 55.06 56.47 3brw s HIS 111 Cb 0.00 -3.28 0.02 0.00 1.11 0.00 0.00 32.58 30.43 3brw s HIS 111 CO 0.00 -1.39 -0.03 -0.51 -0.85 0.00 0.00 174.74 171.96 3brw s LEU 112 N -3.42 1.44 -0.12 0.89 1.43 -0.34 -3.95 118.68 114.61 3brw s LEU 112 Ca 0.68 -0.09 0.01 0.00 -1.03 0.00 0.00 54.13 53.70 3brw s LEU 112 Cb -0.24 -0.34 0.02 0.00 0.03 0.00 0.00 46.19 45.66 3brw s LEU 112 CO 0.28 -0.04 -0.13 -0.69 0.23 0.00 0.00 176.35 176.01 3brw s VAL 113 N 0.69 1.39 -0.13 -1.59 1.01 -1.07 -2.25 120.40 118.46 3brw s VAL 113 Ca -0.08 -0.54 -0.00 0.00 0.00 0.00 0.00 61.98 61.35 3brw s VAL 113 Cb -0.11 -1.31 0.02 0.00 0.00 0.00 0.00 36.38 34.98 3brw s VAL 113 CO -0.00 0.42 -0.10 0.12 0.00 0.00 0.00 175.10 175.54 3brw s PHE 114 N 1.33 1.75 -0.11 5.22 5.36 0.12 -1.31 117.98 130.33 3brw s PHE 114 Ca 0.00 -0.93 -0.03 0.00 -0.96 0.00 0.00 56.93 55.00 3brw s PHE 114 Cb -0.14 -1.37 -0.03 0.00 -0.34 0.00 0.00 43.02 41.14 3brw s PHE 114 CO -0.06 -0.58 0.01 -1.12 -1.46 0.00 0.00 175.22 172.01 3brw s SER 115 N 1.62 5.29 -0.01 6.13 0.01 0.26 -0.28 113.70 126.73 3brw s SER 115 Ca 0.05 0.11 0.00 0.00 1.31 0.00 0.00 55.95 57.42 3brw s SER 115 Cb -0.13 -1.64 0.02 0.00 0.21 0.00 0.00 66.02 64.48 3brw s SER 115 CO -0.09 0.31 0.01 -1.48 0.41 0.00 0.00 173.24 172.40 3brw s LEU 116 N -0.48 1.43 0.10 2.44 0.05 -0.29 -1.56 118.68 120.37 3brw s LEU 116 Ca 0.09 0.01 0.09 0.00 0.05 0.00 0.00 54.13 54.37 3brw s LEU 116 Cb -0.12 -0.08 -0.04 0.00 -2.05 0.00 0.00 46.19 43.91 3brw s LEU 116 CO 0.02 -0.07 -0.23 -0.75 -0.55 0.00 0.00 176.35 174.77 3brw s LYS 117 N 0.66 1.28 -0.09 1.48 2.20 -0.45 -1.03 119.74 123.79 3brw s LYS 117 Ca -0.06 -1.20 0.03 0.00 -0.36 0.00 0.00 55.97 54.38 3brw s LYS 117 Cb -0.08 -1.60 0.01 0.00 -1.51 0.00 0.00 37.83 34.65 3brw s LYS 117 CO -0.02 0.38 -0.18 -0.47 -0.36 0.00 0.00 175.35 174.71 3brw s TYR 118 N -1.07 2.04 0.06 4.03 5.04 -1.26 -1.55 117.35 124.64 3brw s TYR 118 Ca 0.09 -0.86 0.04 0.00 -2.44 0.00 0.00 57.07 53.90 3brw s TYR 118 Cb -0.10 -1.43 -0.03 0.00 0.35 0.00 0.00 41.96 40.76 3brw s TYR 118 CO 0.04 -0.40 -0.11 0.34 -1.34 0.00 0.00 175.55 174.09 3brw s ASP 119 N 0.64 1.31 -0.38 4.32 2.15 -1.23 -5.02 116.67 118.46 3brw s ASP 119 Ca -0.14 -0.60 0.03 0.00 0.43 0.00 0.00 52.55 52.27 3brw s ASP 119 Cb -0.16 -0.01 0.11 0.00 -0.30 0.00 0.00 42.92 42.56 3brw s ASP 119 CO 0.04 -0.15 0.13 -0.69 -0.17 0.00 0.00 175.17 174.33 3brw s VAL 120 N -1.41 1.89 -0.54 1.11 1.01 -1.26 -1.95 120.40 119.25 3brw s VAL 120 Ca -0.05 -2.34 -0.17 0.00 0.00 0.00 0.00 61.98 59.42 3brw s VAL 120 Cb -0.09 -2.37 0.10 0.00 0.00 0.00 0.00 36.38 34.01 3brw s VAL 120 CO 0.01 -0.70 0.56 -0.63 0.00 0.00 0.00 175.10 174.35 3brw s ILE 121 N 0.77 5.03 0.00 2.22 -1.09 -0.65 -4.87 121.20 122.62 3brw s ILE 121 Ca 0.13 -1.07 0.00 0.00 -2.23 0.00 0.00 60.65 57.48 3brw s ILE 121 Cb -0.21 -4.33 0.00 0.00 -1.58 0.00 0.00 42.46 36.34 3brw s ILE 121 CO -0.09 -0.87 0.00 0.61 -1.23 0.00 0.00 174.94 173.35 3brw n GLY 122 N 5.24 2.33 0.28 6.18 0.00 -1.26 -2.01 105.19 115.93 3brw n GLY 122 Ca -0.11 -0.17 0.03 0.00 0.00 0.00 0.00 46.02 45.77 3brw n GLY 122 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 3brw n ASP 123 N 9.74 1.99 -4.69 1.61 5.75 -1.26 -5.00 116.55 124.69 3brw n ASP 123 Ca 0.00 -1.63 -0.42 0.00 -0.01 0.00 0.00 54.79 52.73 3brw n ASP 123 Cb 0.00 -0.06 -0.03 0.00 -1.03 0.00 0.00 41.12 40.00 3brw n ASP 123 CO 0.00 0.00 0.00 -1.10 -0.11 0.00 0.00 177.20 175.99 3brw s GLN 124 N -0.74 4.42 -0.16 0.11 -1.52 -0.85 -5.05 119.66 115.86 3brw s GLN 124 Ca 0.09 1.37 -0.15 0.00 -1.95 0.00 0.00 55.36 54.72 3brw s GLN 124 Cb 0.05 -3.54 -0.04 0.00 -0.22 0.00 0.00 33.01 29.26 3brw s GLN 124 CO 0.08 -0.30 0.35 -1.21 -0.25 0.00 0.00 175.29 173.95 3brw s GLU 125 N 1.97 4.25 0.35 2.91 2.02 -1.26 -1.63 118.70 127.31 3brw s GLU 125 Ca 0.48 0.18 0.01 0.00 0.02 0.00 0.00 54.97 55.66 3brw s GLU 125 Cb -0.18 -3.46 -0.00 0.00 0.10 0.00 0.00 34.13 30.59 3brw s GLU 125 CO 0.18 0.15 0.04 0.72 0.02 0.00 0.00 175.26 176.37 3brw n HIS 126 N 3.82 0.60 -3.15 1.61 8.25 -0.82 -2.78 115.22 122.75 3brw n HIS 126 Ca -0.10 -1.89 0.04 0.00 -0.26 0.00 0.00 57.72 55.51 3brw n HIS 126 Cb 0.52 -0.16 -0.01 0.00 1.12 0.00 0.00 29.99 31.46 3brw n HIS 126 CO 0.00 0.00 0.00 -1.17 0.64 0.00 0.00 176.34 175.81 3brw s LEU 127 N 0.00 -1.29 -0.20 2.41 2.96 -0.96 -3.52 118.68 118.07 3brw s LEU 127 Ca 0.06 0.51 -0.20 0.00 -0.22 0.00 0.00 54.13 54.27 3brw s LEU 127 Cb 0.00 1.96 -0.03 0.00 0.50 0.00 0.00 46.19 48.63 3brw s LEU 127 CO 0.04 -0.24 0.58 -0.60 -1.32 0.00 0.00 176.35 174.81 3brw s ARG 128 N 2.87 4.19 0.25 1.98 3.52 -0.59 -1.98 118.95 129.19 3brw s ARG 128 Ca 0.15 0.51 0.09 0.00 -0.13 0.00 0.00 55.73 56.35 3brw s ARG 128 Cb -0.12 -3.58 -0.04 0.00 -1.56 0.00 0.00 34.95 29.66 3brw s ARG 128 CO -0.22 -0.21 0.04 -0.51 -0.81 0.00 0.00 175.30 173.60 3brw s LEU 129 N 1.83 3.35 -0.35 -0.88 1.43 0.68 -1.34 118.68 123.39 3brw s LEU 129 Ca 0.26 -0.53 0.04 0.00 -1.03 0.00 0.00 54.13 52.87 3brw s LEU 129 Cb -0.16 -1.89 0.19 0.00 0.03 0.00 0.00 46.19 44.36 3brw s LEU 129 CO 0.10 0.00 0.71 -0.22 0.23 0.00 0.00 176.35 177.17 3brw s LEU 130 N -3.64 -1.32 -0.14 1.79 2.96 -0.60 -2.95 118.68 114.79 3brw s LEU 130 Ca 0.31 -0.35 -0.05 0.00 -0.22 0.00 0.00 54.13 53.82 3brw s LEU 130 Cb -0.07 1.73 -0.04 0.00 0.50 0.00 0.00 46.19 48.32 3brw s LEU 130 CO 0.21 -0.18 0.05 -0.22 -1.32 0.00 0.00 176.35 174.89 3brw s LEU 131 N 2.24 3.82 -0.28 -0.68 0.20 -0.46 -0.57 118.68 122.95 3brw s LEU 131 Ca 0.15 0.17 -0.02 0.00 0.69 0.00 0.00 54.13 55.12 3brw s LEU 131 Cb -0.05 -1.93 0.04 0.00 -0.43 0.00 0.00 46.19 43.82 3brw s LEU 131 CO -0.15 0.29 -0.01 -0.13 -0.29 0.00 0.00 176.35 176.06 3brw s ARG 132 N -0.34 2.64 0.38 1.98 0.52 -0.43 -0.11 118.95 123.59 3brw s ARG 132 Ca 0.08 -1.12 0.03 0.00 -0.52 0.00 0.00 55.73 54.20 3brw s ARG 132 Cb -0.12 -3.13 -0.01 0.00 0.52 0.00 0.00 34.95 32.21 3brw s ARG 132 CO 0.02 -0.52 0.56 -0.08 0.02 0.00 0.00 175.30 175.29 3brw s THR 133 N 1.31 4.26 0.57 0.02 -1.32 -0.71 -2.59 115.64 117.18 3brw s THR 133 Ca -0.02 -0.71 0.29 0.00 -1.21 0.00 0.00 61.69 60.03 3brw s THR 133 Cb -0.18 -3.53 0.41 0.00 -1.51 0.00 0.00 72.50 67.68 3brw s THR 133 CO -0.02 -0.30 1.90 0.50 -2.21 0.00 0.00 174.62 174.50 3brw h LYS 134 N 0.68 0.00 0.00 7.08 3.64 -1.75 -3.21 116.57 123.01 3brw h LYS 134 Ca -0.47 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 58.91 3brw h LYS 134 Cb 1.25 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 33.07 3brw h LYS 134 CO 0.56 0.00 -0.19 0.00 -2.27 0.00 0.00 179.45 177.55 3brw n ARG 136 N -3.06 2.65 -3.66 0.00 1.74 -1.21 -4.96 116.66 108.15 3brw n ARG 136 Ca -0.03 0.00 -0.11 0.00 -0.77 0.00 0.00 57.85 56.95 3brw n ARG 136 Cb 0.10 0.00 -0.11 0.00 -1.02 0.00 0.00 32.46 31.43 3brw n ARG 136 CO 0.00 0.00 0.00 -0.08 -1.52 0.00 0.00 177.63 176.03 3brw s THR 137 N -0.07 -0.53 -0.11 0.55 -1.32 -1.26 -1.74 115.64 111.16 3brw s THR 137 Ca 0.00 0.22 -0.09 0.00 -1.21 0.00 0.00 61.69 60.61 3brw s THR 137 Cb 0.00 -0.56 -0.04 0.00 -1.51 0.00 0.00 72.50 70.38 3brw s THR 137 CO 0.00 0.09 0.20 -0.31 -2.21 0.00 0.00 174.62 172.39 3brw s TYR 138 N 2.49 3.59 -0.01 9.09 2.02 0.84 -4.94 117.35 130.42 3brw s TYR 138 Ca -0.01 0.59 0.04 0.00 -0.37 0.00 0.00 57.07 57.32 3brw s TYR 138 Cb -0.12 -2.06 -0.01 0.00 -0.40 0.00 0.00 41.96 39.37 3brw s TYR 138 CO -0.11 0.63 -0.14 -1.58 -1.57 0.00 0.00 175.55 172.78 3brw s HIS 139 N -0.74 1.30 -0.14 2.71 5.65 -1.26 -1.36 115.29 121.45 3brw s HIS 139 Ca 0.16 -0.26 -0.29 0.00 0.25 0.00 0.00 55.06 54.92 3brw s HIS 139 Cb -0.13 -0.85 0.08 0.00 -1.18 0.00 0.00 32.58 30.51 3brw s HIS 139 CO 0.05 -0.04 0.75 0.34 -0.65 0.00 0.00 174.74 175.19 3brw s ASP 140 N -0.28 -0.64 -0.33 9.88 -1.08 -1.15 -5.01 116.67 118.06 3brw s ASP 140 Ca 0.04 0.90 -0.01 0.00 -0.52 0.00 0.00 52.55 52.96 3brw s ASP 140 Cb -0.06 0.79 0.07 0.00 -1.46 0.00 0.00 42.92 42.27 3brw s ASP 140 CO -0.00 -0.45 0.05 -0.69 0.52 0.00 0.00 175.17 174.60 3brw s VAL 141 N -0.65 2.92 -0.21 1.11 1.01 -1.26 -0.23 120.40 123.09 3brw s VAL 141 Ca -0.06 -1.71 -0.06 0.00 0.00 0.00 0.00 61.98 60.16 3brw s VAL 141 Cb -0.02 -2.83 -0.03 0.00 0.00 0.00 0.00 36.38 33.51 3brw s VAL 141 CO 0.05 -0.32 0.02 0.27 0.00 0.00 0.00 175.10 175.12 3brw s ILE 142 N 1.17 4.08 -0.83 2.22 -4.36 -0.84 -4.89 121.20 117.75 3brw s ILE 142 Ca 0.00 -0.27 -0.23 0.00 -0.26 0.00 0.00 60.65 59.89 3brw s ILE 142 Cb -0.20 -2.86 0.07 0.00 1.25 0.00 0.00 42.46 40.71 3brw s ILE 142 CO -0.03 0.41 1.20 -2.16 0.24 0.00 0.00 174.94 174.60 3brw s PRO 143 N 1.09 3.35 -0.03 0.37 0.05 -1.26 -2.26 135.00 136.32 3brw s PRO 143 Ca 0.03 -0.94 -0.30 0.00 0.05 0.00 0.00 61.00 59.83 3brw s PRO 143 Cb -0.14 -4.65 -0.04 0.00 0.05 0.00 0.00 34.50 29.72 3brw s PRO 143 CO 0.02 -1.99 1.29 -1.50 0.05 0.00 0.00 177.00 174.87 3brw s ILE 144 N 4.45 4.00 0.00 0.56 1.10 -1.12 -4.94 121.20 125.25 3brw s ILE 144 Ca 0.34 1.35 0.00 0.00 -0.51 0.00 0.00 60.65 61.83 3brw s ILE 144 Cb -0.08 -3.87 0.00 0.00 0.15 0.00 0.00 42.46 38.66 3brw s ILE 144 CO 0.02 0.00 0.00 -0.24 -2.11 0.00 0.00 174.94 172.61 3brw n SER 145 N 5.23 0.00 -1.89 4.50 2.88 -1.26 -4.26 113.62 118.82 3brw n SER 145 Ca 0.12 0.00 0.01 0.00 -1.33 0.00 0.00 58.87 57.67 3brw n SER 145 Cb 0.45 0.00 0.05 0.00 -0.75 0.00 0.00 64.21 63.96 3brw n SER 145 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 3brw n LEU 147 N -0.11 1.10 0.00 0.00 -0.00 -1.26 -4.90 117.00 111.83 3brw n LEU 147 Ca 0.10 -0.55 0.00 0.00 -0.00 0.00 0.00 56.01 55.56 3brw n LEU 147 Cb 0.97 -0.40 0.00 0.00 -0.00 0.00 0.00 43.42 43.99 3brw n LEU 147 CO 0.03 0.24 0.00 0.35 -0.00 0.00 0.00 177.39 178.00 3brw n THR 148 N 0.19 0.00 1.86 1.47 -2.24 -1.26 -4.65 114.28 109.65 3brw n THR 148 Ca 0.00 0.00 0.09 0.00 -2.27 0.00 0.00 64.05 61.87 3brw n THR 148 Cb 0.24 0.00 0.54 0.00 -2.10 0.00 0.00 70.33 69.01 3brw n THR 148 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 3brw n GLU 149 N 0.00 0.93 -3.07 -0.78 -0.58 -1.26 -4.82 120.64 111.06 3brw n GLU 149 Ca 0.00 0.00 -0.25 0.00 -0.42 0.00 0.00 57.16 56.49 3brw n GLU 149 Cb 0.00 -1.31 0.02 0.00 -0.57 0.00 0.00 31.44 29.58 3brw n GLU 149 CO 0.00 0.00 0.00 1.19 -0.48 0.00 0.00 177.13 177.84 3brw n PHE 150 N -0.81 -1.80 -1.05 -0.32 3.72 -1.26 -4.82 117.46 111.12 3brw n PHE 150 Ca 0.14 0.75 -0.41 0.00 -0.05 0.00 0.00 57.45 57.88 3brw n PHE 150 Cb 0.06 -1.54 -0.06 0.00 -0.94 0.00 0.00 39.48 37.00 3brw n PHE 150 CO 0.00 0.00 0.00 -0.35 -0.05 0.00 0.00 176.76 176.36 3brw n PRO 151 N -0.83 0.00 -0.61 -1.08 -0.04 -1.26 -4.91 135.00 126.27 3brw n PRO 151 Ca -0.13 0.00 -0.29 0.00 -0.04 0.00 0.00 63.50 63.04 3brw n PRO 151 Cb 0.51 -1.00 0.22 0.00 -0.04 0.00 0.00 33.50 33.19 3brw n PRO 151 CO 0.00 0.00 0.00 0.54 -0.04 0.00 0.00 175.50 176.00 3brw s ASN 152 N 0.68 1.68 0.22 3.54 2.20 -1.26 -4.48 114.94 117.52 3brw s ASN 152 Ca 0.64 1.75 -0.11 0.00 -0.94 0.00 0.00 52.86 54.20 3brw s ASN 152 Cb -0.90 -2.40 0.30 0.00 -2.00 0.00 0.00 41.25 36.26 3brw s ASN 152 CO 0.44 -3.81 1.64 1.62 -2.94 0.00 0.00 177.10 174.05 3brw h VAL 153 N -2.35 0.41 0.35 3.54 3.04 -1.99 0.28 116.25 119.53 3brw h VAL 153 Ca -0.55 -0.02 -0.00 0.00 -1.01 0.00 0.00 66.70 65.11 3brw h VAL 153 Cb 1.31 0.34 -0.02 0.00 -2.01 0.00 0.00 31.29 30.91 3brw h VAL 153 CO 0.47 0.01 -0.34 0.58 -1.01 0.00 0.00 177.57 177.28 3brw h VAL 154 N 0.07 0.30 -1.00 1.51 2.07 -1.93 -0.13 116.25 117.13 3brw h VAL 154 Ca 0.33 0.00 0.21 0.00 0.82 0.00 0.00 66.70 68.06 3brw h VAL 154 Cb 0.54 0.30 -0.11 0.00 -1.52 0.00 0.00 31.29 30.50 3brw h VAL 154 CO -0.60 0.00 0.60 1.56 0.02 0.00 0.00 177.57 179.15 3brw h GLN 155 N -0.72 0.69 -0.13 1.57 4.20 -1.57 -1.31 115.11 117.84 3brw h GLN 155 Ca -0.02 -0.04 -0.03 0.00 0.06 0.00 0.00 58.65 58.62 3brw h GLN 155 Cb 0.64 -0.16 -0.00 0.00 0.30 0.00 0.00 27.48 28.26 3brw h GLN 155 CO -0.06 0.46 -0.02 0.52 -0.67 0.00 0.00 178.83 179.06 3brw h MET 156 N 0.71 0.25 -1.00 1.46 2.86 -0.44 -3.05 114.93 115.72 3brw h MET 156 Ca 0.60 -0.09 0.17 0.00 -2.06 0.00 0.00 59.70 58.32 3brw h MET 156 Cb 0.99 -0.02 -0.10 0.00 0.06 0.00 0.00 31.60 32.53 3brw h MET 156 CO -0.41 0.52 0.62 0.00 1.06 0.00 0.00 176.91 178.70 3brw h ALA 157 N 0.72 1.64 0.00 6.32 0.00 0.10 -0.98 119.26 127.05 3brw h ALA 157 Ca 0.04 0.06 -0.07 0.00 0.00 0.00 0.00 54.91 54.94 3brw h ALA 157 Cb 0.42 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 18.09 3brw h ALA 157 CO 0.01 0.02 -0.32 0.87 0.00 0.00 0.00 179.25 179.83 3brw h LYS 158 N 0.82 0.00 0.00 0.00 1.57 -1.32 0.13 116.57 117.78 3brw h LYS 158 Ca 0.56 0.00 -0.03 0.00 -1.87 0.00 0.00 60.65 59.31 3brw h LYS 158 Cb 0.80 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 33.10 3brw h LYS 158 CO -0.35 0.32 -0.15 -0.07 -0.57 0.00 0.00 179.45 178.63 3brw h LEU 159 N 0.00 0.00 0.00 2.94 3.38 -1.08 -3.17 115.31 117.38 3brw h LEU 159 Ca -0.00 0.00 -0.30 0.00 0.09 0.00 0.00 57.88 57.67 3brw h LEU 159 Cb 0.60 0.00 -0.06 0.00 0.09 0.00 0.00 40.66 41.30 3brw h LEU 159 CO 0.04 0.15 -2.12 0.55 0.09 0.00 0.00 178.44 177.15 3brw n VAL 160 N -3.34 1.13 -3.60 1.22 3.14 -1.08 -4.92 118.33 110.87 3brw n VAL 160 Ca -0.00 -0.59 -0.27 0.00 -2.96 0.00 0.00 64.34 60.53 3brw n VAL 160 Cb 0.37 -0.83 -0.16 0.00 -1.06 0.00 0.00 33.84 32.15 3brw n VAL 160 CO 0.00 0.00 0.00 0.00 -6.46 0.00 0.00 176.83 170.37 3brw h GLU 162 N 8.41 0.55 0.00 0.00 3.07 -1.79 -3.18 114.58 121.65 3brw h GLU 162 Ca -0.16 -0.42 0.00 0.00 -0.50 0.00 0.00 59.36 58.27 3brw h GLU 162 Cb 1.11 0.08 0.00 0.00 -0.84 0.00 0.00 28.75 29.10 3brw h GLU 162 CO 0.33 1.05 0.00 -0.25 -1.40 0.00 0.00 179.01 178.74 3brw n ASP 163 N -3.89 0.00 -4.61 1.42 8.00 -1.26 -4.75 116.55 111.46 3brw n ASP 163 Ca -0.05 -0.77 -0.43 0.00 0.71 0.00 0.00 54.79 54.25 3brw n ASP 163 Cb 0.69 0.00 -0.02 0.00 -0.02 0.00 0.00 41.12 41.77 3brw n ASP 163 CO 0.00 0.00 0.00 -0.69 -0.39 0.00 0.00 177.20 176.12 3brw s VAL 164 N -2.00 3.64 -0.35 2.53 1.01 -1.20 -4.91 120.40 119.12 3brw s VAL 164 Ca 0.31 0.67 0.02 0.00 0.00 0.00 0.00 61.98 62.99 3brw s VAL 164 Cb 0.14 -3.78 0.10 0.00 0.00 0.00 0.00 36.38 32.84 3brw s VAL 164 CO 0.24 -0.45 0.07 0.21 0.00 0.00 0.00 175.10 175.18 3brw s ASN 165 N 5.04 4.87 -0.02 3.32 3.84 -1.26 -4.86 114.94 125.86 3brw s ASN 165 Ca 0.73 -2.03 -0.20 0.00 0.21 0.00 0.00 52.86 51.57 3brw s ASN 165 Cb -0.21 -1.67 0.04 0.00 -0.55 0.00 0.00 41.25 38.85 3brw s ASN 165 CO 0.32 -0.40 0.43 0.54 -2.79 0.00 0.00 177.10 175.20 3brw s VAL 166 N 0.99 0.04 0.05 -5.21 0.11 -1.26 -4.53 120.40 110.59 3brw s VAL 166 Ca 0.08 -0.33 -0.22 0.00 -2.93 0.00 0.00 61.98 58.58 3brw s VAL 166 Cb -0.20 -0.74 -0.14 0.00 -1.53 0.00 0.00 36.38 33.77 3brw s VAL 166 CO -0.07 -0.18 1.48 0.44 -3.33 0.00 0.00 175.10 173.45 3brw h ASP 167 N 3.57 0.20 -5.16 3.54 5.19 -1.98 -3.47 116.42 118.31 3brw h ASP 167 Ca -0.29 -0.30 -0.05 0.00 -0.62 0.00 0.00 57.03 55.77 3brw h ASP 167 Cb 1.17 -0.05 -0.11 0.00 0.18 0.00 0.00 39.33 40.52 3brw h ASP 167 CO 0.40 0.45 -0.10 0.00 -3.12 0.00 0.00 179.24 176.87 3brw s ARG 168 N -5.00 1.32 0.22 3.56 3.03 -1.26 -4.96 118.95 115.85 3brw s ARG 168 Ca -0.14 -1.01 0.06 0.00 2.03 0.00 0.00 55.73 56.67 3brw s ARG 168 Cb 0.05 0.47 -0.03 0.00 -1.03 0.00 0.00 34.95 34.40 3brw s ARG 168 CO 0.70 -0.54 0.23 -0.06 -1.13 0.00 0.00 175.30 174.51 3brw s PHE 169 N -3.92 3.25 -0.11 5.89 0.40 -1.26 -4.84 117.98 117.38 3brw s PHE 169 Ca 0.13 -0.04 0.01 0.00 -0.60 0.00 0.00 56.93 56.43 3brw s PHE 169 Cb 0.00 -1.50 -0.02 0.00 0.51 0.00 0.00 43.02 42.02 3brw s PHE 169 CO -0.01 0.50 -0.13 0.71 0.70 0.00 0.00 175.22 176.99 3brw s TYR 170 N -1.96 2.80 0.28 0.36 1.51 0.49 -4.92 117.35 115.90 3brw s TYR 170 Ca 0.33 -0.50 -0.29 0.00 -1.01 0.00 0.00 57.07 55.59 3brw s TYR 170 Cb -0.09 -1.80 -0.10 0.00 -0.11 0.00 0.00 41.96 39.87 3brw s TYR 170 CO 0.26 -0.10 1.32 -1.25 -1.11 0.00 0.00 175.55 174.66 3brw s PRO 171 N 0.08 4.37 -0.23 -1.71 0.04 -1.26 -0.66 135.00 135.62 3brw s PRO 171 Ca -0.05 2.17 -0.22 0.00 0.04 0.00 0.00 61.00 62.94 3brw s PRO 171 Cb -0.15 -3.11 -0.02 0.00 0.04 0.00 0.00 34.50 31.26 3brw s PRO 171 CO 0.04 -0.22 0.69 0.08 0.04 0.00 0.00 177.00 177.64 3brw s VAL 172 N -0.65 4.95 -0.14 -0.36 1.01 0.20 -4.90 120.40 120.50 3brw s VAL 172 Ca 0.52 1.29 0.18 0.00 0.00 0.00 0.00 61.98 63.97 3brw s VAL 172 Cb -0.39 -4.00 0.34 0.00 0.00 0.00 0.00 36.38 32.34 3brw s VAL 172 CO 0.47 0.03 1.21 0.18 0.00 0.00 0.00 175.10 176.99 3brw n LEU 173 N 5.55 2.69 -4.47 3.92 4.77 -1.26 -4.73 117.00 123.47 3brw n LEU 173 Ca 0.01 -3.05 -0.43 0.00 -0.03 0.00 0.00 56.01 52.51 3brw n LEU 173 Cb 0.49 -0.45 -0.08 0.00 -2.33 0.00 0.00 43.42 41.05 3brw n LEU 173 CO 0.45 0.70 0.16 -0.47 -1.33 0.00 0.00 177.39 176.89 3brw s TYR 174 N -2.83 3.15 0.66 -1.77 5.04 -1.26 -4.85 117.35 115.49 3brw s TYR 174 Ca 0.34 -0.44 0.35 0.00 -2.44 0.00 0.00 57.07 54.88 3brw s TYR 174 Cb 0.29 -3.06 1.90 0.00 0.35 0.00 0.00 41.96 41.44 3brw s TYR 174 CO 0.04 -0.78 2.08 -1.35 -1.34 0.00 0.00 175.55 174.21 3brw h PRO 175 N 8.79 0.00 -0.61 4.97 0.11 -1.94 0.24 132.00 143.56 3brw h PRO 175 Ca -0.27 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.84 3brw h PRO 175 Cb 1.11 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.22 3brw h PRO 175 CO 0.84 0.00 0.00 1.63 -0.21 0.00 0.00 178.00 180.26 3brw n LYS 176 N -3.02 2.92 -0.02 1.05 5.02 -1.26 -4.58 118.16 118.27 3brw n LYS 176 Ca -0.02 -2.02 -0.13 0.00 -2.02 0.00 0.00 58.31 54.12 3brw n LYS 176 Cb 0.28 -1.70 -0.09 0.00 -0.02 0.00 0.00 35.03 33.49 3brw n LYS 176 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 3brw h ALA 177 N 3.69 0.05 -0.22 7.82 0.00 -0.93 -3.15 119.26 126.52 3brw h ALA 177 Ca 0.00 -0.28 0.04 0.00 0.00 0.00 0.00 54.91 54.68 3brw h ALA 177 Cb 1.09 -0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.86 3brw h ALA 177 CO 0.16 -0.16 0.15 0.66 0.00 0.00 0.00 179.25 180.07 3brw h SER 178 N -0.40 0.09 -0.58 0.00 4.64 -1.81 0.08 113.55 115.57 3brw h SER 178 Ca 0.00 -0.00 -0.06 0.00 -0.47 0.00 0.00 61.79 61.27 3brw h SER 178 Cb 0.56 -0.02 -0.02 0.00 -0.31 0.00 0.00 62.40 62.61 3brw h SER 178 CO 0.01 0.06 0.14 0.03 -0.87 0.00 0.00 176.83 176.20 3brw h ARG 179 N 0.11 0.93 -0.27 4.77 3.08 -1.88 -1.29 114.38 119.82 3brw h ARG 179 Ca 0.10 -0.23 -0.17 0.00 0.07 0.00 0.00 59.98 59.75 3brw h ARG 179 Cb 0.26 -0.12 -0.00 0.00 0.08 0.00 0.00 29.97 30.18 3brw h ARG 179 CO -0.01 0.86 -0.50 -0.07 -1.07 0.00 0.00 179.97 179.18 3brw h LEU 180 N 0.84 0.84 -0.03 3.04 4.07 -1.08 -3.01 115.31 119.98 3brw h LEU 180 Ca 0.18 -0.43 -0.01 0.00 0.08 0.00 0.00 57.88 57.71 3brw h LEU 180 Cb 0.35 -0.24 -0.00 0.00 1.08 0.00 0.00 40.66 41.85 3brw h LEU 180 CO 0.00 1.19 -0.01 0.40 -1.08 0.00 0.00 178.44 178.94 3brw h ILE 181 N 0.60 1.31 -1.00 1.22 2.04 -0.96 -2.41 117.51 118.31 3brw h ILE 181 Ca 0.02 -0.95 0.05 0.00 1.00 0.00 0.00 64.86 64.99 3brw h ILE 181 Cb 1.08 1.90 -0.06 0.00 -0.74 0.00 0.00 36.82 39.00 3brw h ILE 181 CO 0.11 0.25 0.65 1.62 0.00 0.00 0.00 178.15 180.78 3brw h VAL 182 N -0.33 1.12 -0.37 1.67 3.04 -1.33 -1.45 116.25 118.61 3brw h VAL 182 Ca 0.01 -0.41 0.02 0.00 -1.01 0.00 0.00 66.70 65.30 3brw h VAL 182 Cb 0.41 -0.19 -0.03 0.00 -2.01 0.00 0.00 31.29 29.48 3brw h VAL 182 CO 0.00 0.22 0.21 0.74 -1.01 0.00 0.00 177.57 177.73 3brw h THR 183 N 1.21 1.03 -0.12 3.17 2.02 -1.45 -2.14 112.91 116.62 3brw h THR 183 Ca 0.42 -0.15 0.01 0.00 0.77 0.00 0.00 66.41 67.46 3brw h THR 183 Cb 0.10 0.56 -0.01 0.00 -1.74 0.00 0.00 68.15 67.07 3brw h THR 183 CO -0.15 0.08 0.06 0.15 0.37 0.00 0.00 175.52 176.02 3brw h PHE 184 N 0.42 0.10 -0.36 3.16 3.57 -0.90 -2.89 116.94 120.05 3brw h PHE 184 Ca 0.15 0.00 0.03 0.00 3.53 0.00 0.00 57.97 61.69 3brw h PHE 184 Cb 0.02 -0.03 -0.02 0.00 2.79 0.00 0.00 35.95 38.71 3brw h PHE 184 CO -0.08 0.06 0.24 -0.44 -2.23 0.00 0.00 178.31 175.86 3brw h ASP 185 N 0.12 0.30 -0.55 0.41 5.19 -0.96 -2.87 116.42 118.06 3brw h ASP 185 Ca 0.05 -0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.45 3brw h ASP 185 Cb 0.01 -0.07 0.00 0.00 0.18 0.00 0.00 39.33 39.45 3brw h ASP 185 CO -0.03 0.21 0.00 -0.62 -3.12 0.00 0.00 179.24 175.67 3brw n GLU 186 N -4.48 3.52 0.26 3.56 1.02 -0.83 -4.29 120.64 119.38 3brw n GLU 186 Ca 0.03 -2.77 0.15 0.00 -0.02 0.00 0.00 57.16 54.56 3brw n GLU 186 Cb 0.17 -1.80 0.52 0.00 -0.02 0.00 0.00 31.44 30.30 3brw n GLU 186 CO 0.00 0.00 0.00 1.12 1.18 0.00 0.00 177.13 179.43 3brw h HIS 187 N 3.47 0.00 -0.00 -0.32 2.07 -1.30 -2.77 115.15 116.30 3brw h HIS 187 Ca 0.00 0.00 0.00 0.00 -2.85 0.00 0.00 60.37 57.52 3brw h HIS 187 Cb 1.35 0.00 0.00 0.00 2.57 0.00 0.00 27.41 31.33 3brw h HIS 187 CO 0.66 0.02 -0.02 1.33 -3.07 0.00 0.00 177.93 176.84 3brw n VAL 188 N -3.11 0.00 -3.62 6.12 0.24 -1.26 -4.63 118.33 112.07 3brw n VAL 188 Ca 0.02 -0.02 -0.38 0.00 -2.04 0.00 0.00 64.34 61.92 3brw n VAL 188 Cb 0.38 -0.40 -0.11 0.00 -1.47 0.00 0.00 33.84 32.24 3brw n VAL 188 CO 0.00 0.00 0.00 -0.63 -2.14 0.00 0.00 176.83 174.06 3brw s ILE 189 N -2.41 5.09 -0.10 1.34 1.01 -1.05 -4.89 121.20 120.20 3brw s ILE 189 Ca 0.33 0.03 -0.03 0.00 0.00 0.00 0.00 60.65 60.98 3brw s ILE 189 Cb 0.21 -3.45 -0.03 0.00 0.01 0.00 0.00 42.46 39.19 3brw s ILE 189 CO 0.44 0.22 0.03 -0.94 0.00 0.00 0.00 174.94 174.69 3brw s SER 190 N 1.72 5.46 0.00 3.58 1.04 -1.26 -4.99 113.70 119.26 3brw s SER 190 Ca 0.07 0.20 0.18 0.00 0.48 0.00 0.00 55.95 56.88 3brw s SER 190 Cb -0.16 -1.61 -0.17 0.00 0.10 0.00 0.00 66.02 64.18 3brw s SER 190 CO 0.09 0.38 0.80 0.59 0.98 0.00 0.00 173.24 176.08 3brw n ASN 191 N 2.17 0.99 -4.13 7.02 4.13 -1.26 -4.91 115.26 119.27 3brw n ASN 191 Ca -0.19 -0.99 -0.33 0.00 1.68 0.00 0.00 54.58 54.75 3brw n ASN 191 Cb 0.54 0.93 -0.15 0.00 -1.54 0.00 0.00 39.78 39.56 3brw n ASN 191 CO 0.00 0.00 0.00 0.20 0.28 0.00 0.00 177.26 177.74 3brw s ASN 192 N -2.66 3.96 0.25 6.41 0.01 -1.26 -1.09 114.94 120.55 3brw s ASN 192 Ca 0.08 -0.97 0.10 0.00 -0.71 0.00 0.00 52.86 51.36 3brw s ASN 192 Cb 0.14 -1.56 -0.05 0.00 0.41 0.00 0.00 41.25 40.19 3brw s ASN 192 CO 0.72 -0.11 -0.10 -0.36 -1.51 0.00 0.00 177.10 175.74 3brw s PHE 193 N 1.24 2.53 -0.08 2.20 0.08 -0.89 -5.02 117.98 118.03 3brw s PHE 193 Ca -0.01 -0.27 -0.04 0.00 0.12 0.00 0.00 56.93 56.73 3brw s PHE 193 Cb -0.17 -1.14 0.04 0.00 -0.57 0.00 0.00 43.02 41.18 3brw s PHE 193 CO -0.07 0.62 0.18 -1.59 -0.10 0.00 0.00 175.22 174.26 3brw s LYS 194 N -3.39 0.13 0.04 0.44 -2.85 -1.26 -2.97 119.74 109.88 3brw s LYS 194 Ca 0.29 0.45 0.07 0.00 -1.00 0.00 0.00 55.97 55.79 3brw s LYS 194 Cb -0.07 -0.16 -0.02 0.00 -2.06 0.00 0.00 37.83 35.52 3brw s LYS 194 CO 0.17 -0.18 -0.21 -0.06 0.10 0.00 0.00 175.35 175.17 3brw s PHE 195 N 1.33 1.82 0.28 1.78 0.08 -1.23 -4.49 117.98 117.56 3brw s PHE 195 Ca -0.08 -0.38 -0.19 0.00 0.12 0.00 0.00 56.93 56.40 3brw s PHE 195 Cb -0.11 -1.09 -0.09 0.00 -0.57 0.00 0.00 43.02 41.16 3brw s PHE 195 CO -0.07 0.09 0.77 0.20 -0.10 0.00 0.00 175.22 176.11 3brw s GLY 196 N -1.16 2.55 -0.12 4.36 0.00 -1.04 -0.35 107.32 111.57 3brw s GLY 196 Ca 0.07 0.20 0.01 0.00 0.00 0.00 0.00 44.72 45.00 3brw s GLY 196 CO 0.02 0.52 -0.14 0.14 0.00 0.00 0.00 173.10 173.64 3brw s VAL 197 N -1.70 1.45 0.25 1.40 1.01 0.38 0.13 120.40 123.31 3brw s VAL 197 Ca 0.48 -0.59 0.01 0.00 0.00 0.00 0.00 61.98 61.88 3brw s VAL 197 Cb -0.15 -1.34 -0.04 0.00 0.00 0.00 0.00 36.38 34.85 3brw s VAL 197 CO 0.20 0.43 0.13 -0.63 0.00 0.00 0.00 175.10 175.23 3brw s ILE 198 N 1.16 0.27 -0.04 2.22 1.01 -0.09 -1.48 121.20 124.25 3brw s ILE 198 Ca -0.03 -2.00 0.03 0.00 0.00 0.00 0.00 60.65 58.65 3brw s ILE 198 Cb -0.14 -2.55 0.00 0.00 0.01 0.00 0.00 42.46 39.77 3brw s ILE 198 CO -0.04 0.00 -0.14 -0.47 0.00 0.00 0.00 174.94 174.29 3brw s TYR 199 N -3.88 1.41 0.25 3.97 6.04 -1.26 -1.45 117.35 122.43 3brw s TYR 199 Ca 0.38 -0.41 0.02 0.00 0.04 0.00 0.00 57.07 57.10 3brw s TYR 199 Cb 0.07 -0.98 -0.03 0.00 -1.04 0.00 0.00 41.96 39.98 3brw s TYR 199 CO 0.14 -0.16 0.41 -1.14 -1.54 0.00 0.00 175.55 173.27 3brw s GLN 200 N 0.18 3.47 0.48 4.97 0.74 -0.55 -4.79 119.66 124.17 3brw s GLN 200 Ca -0.05 -0.51 -0.12 0.00 0.05 0.00 0.00 55.36 54.73 3brw s GLN 200 Cb -0.11 -2.82 -0.06 0.00 1.10 0.00 0.00 33.01 31.12 3brw s GLN 200 CO 0.02 0.35 0.88 0.21 -0.55 0.00 0.00 175.29 176.20 3brw s LYS 201 N -3.83 3.78 0.19 1.67 2.47 -1.26 -4.87 119.74 117.89 3brw s LYS 201 Ca 0.37 0.63 -0.14 0.00 -1.56 0.00 0.00 55.97 55.27 3brw s LYS 201 Cb -0.10 -2.26 0.18 0.00 -1.46 0.00 0.00 37.83 34.19 3brw s LYS 201 CO 0.31 -0.21 1.66 1.25 0.16 0.00 0.00 175.35 178.52 3brw h LEU 202 N 0.78 -0.36 0.00 5.43 5.85 -1.99 -3.41 115.31 121.61 3brw h LEU 202 Ca -0.47 0.14 0.00 0.00 0.84 0.00 0.00 57.88 58.39 3brw h LEU 202 Cb 1.19 0.27 0.00 0.00 0.37 0.00 0.00 40.66 42.49 3brw h LEU 202 CO 0.63 -0.13 0.00 0.61 -0.34 0.00 0.00 178.44 179.21 3brw n GLY 203 N -1.34 0.03 3.77 3.75 0.00 -1.26 -4.68 105.19 105.46 3brw n GLY 203 Ca 0.05 -0.02 -0.41 0.00 0.00 0.00 0.00 46.02 45.65 3brw n GLY 203 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3brw s ALA 204 N -1.02 3.49 -0.11 4.61 0.00 -1.26 -4.87 121.76 122.60 3brw s ALA 204 Ca 0.00 1.33 -0.03 0.00 0.00 0.00 0.00 51.96 53.26 3brw s ALA 204 Cb 0.00 -3.51 0.05 0.00 0.00 0.00 0.00 23.12 19.66 3brw s ALA 204 CO 0.00 -0.76 0.12 0.95 0.00 0.00 0.00 175.76 176.07 3brw s THR 205 N -1.15 -0.18 0.00 0.00 -4.23 -1.26 -4.48 115.64 104.35 3brw s THR 205 Ca 0.51 0.19 0.00 0.00 -1.18 0.00 0.00 61.69 61.20 3brw s THR 205 Cb -0.41 -0.37 0.00 0.00 1.34 0.00 0.00 72.50 73.06 3brw s THR 205 CO 0.55 0.00 0.00 -1.54 -0.54 0.00 0.00 174.62 173.09 3brw n SER 206 N 5.30 0.00 -4.82 3.99 3.41 -1.26 -5.13 113.62 115.11 3brw n SER 206 Ca -0.05 -0.31 -0.34 0.00 -0.26 0.00 0.00 58.87 57.91 3brw n SER 206 Cb 0.50 0.00 -0.07 0.00 -0.26 0.00 0.00 64.21 64.38 3brw n SER 206 CO 0.00 0.00 0.00 -1.61 -0.16 0.00 0.00 175.04 173.27 3brw s GLU 207 N 0.06 4.26 0.00 4.33 2.02 -1.26 -4.24 118.70 123.87 3brw s GLU 207 Ca 0.00 1.10 0.00 0.00 0.02 0.00 0.00 54.97 56.09 3brw s GLU 207 Cb 0.00 -2.31 0.00 0.00 0.10 0.00 0.00 34.13 31.92 3brw s GLU 207 CO 0.00 0.04 0.00 -1.91 0.02 0.00 0.00 175.26 173.41 3brw n GLU 208 N -0.42 0.00 0.22 1.61 2.13 -1.26 -4.58 120.64 118.34 3brw n GLU 208 Ca 0.06 0.00 0.11 0.00 0.66 0.00 0.00 57.16 57.99 3brw n GLU 208 Cb 0.53 -3.24 0.40 0.00 0.27 0.00 0.00 31.44 29.41 3brw n GLU 208 CO 0.00 0.00 0.00 1.05 -0.41 0.00 0.00 177.13 177.77 3brw h GLU 209 N 0.22 0.00 0.00 5.31 4.11 -1.97 -2.67 114.58 119.59 3brw h GLU 209 Ca 0.00 0.00 -0.13 0.00 0.07 0.00 0.00 59.36 59.30 3brw h GLU 209 Cb 0.00 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.23 3brw h GLU 209 CO 0.00 0.16 -0.66 -0.07 0.07 0.00 0.00 179.01 178.51 3brw h LEU 210 N 0.00 0.00 0.00 3.06 3.38 -1.81 -3.36 115.31 116.58 3brw h LEU 210 Ca -0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 3brw h LEU 210 Cb 0.82 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.57 3brw h LEU 210 CO 0.02 0.59 -0.60 -0.26 0.09 0.00 0.00 178.44 178.28 3brw h PHE 211 N 0.00 0.00 -1.67 1.13 0.04 -1.80 -3.40 116.94 111.25 3brw h PHE 211 Ca -0.02 0.00 -0.60 0.00 2.80 0.00 0.00 57.97 60.15 3brw h PHE 211 Cb 1.47 0.00 -0.41 0.00 2.20 0.00 0.00 35.95 39.20 3brw h PHE 211 CO 0.00 0.00 -0.64 0.43 -0.60 0.00 0.00 178.31 177.50 3brw n SER 212 N -2.63 4.79 -3.90 2.17 7.64 -1.08 -4.86 113.62 115.75 3brw n SER 212 Ca 0.02 -3.72 -0.29 0.00 1.01 0.00 0.00 58.87 55.89 3brw n SER 212 Cb 0.51 -0.50 -0.13 0.00 -1.01 0.00 0.00 64.21 63.08 3brw n SER 212 CO 0.00 0.00 0.00 -0.89 -3.01 0.00 0.00 175.04 171.14 3brw s THR 213 N -5.34 2.55 -0.89 0.44 2.01 -1.26 -5.02 115.64 108.12 3brw s THR 213 Ca 0.48 -3.59 -0.08 0.00 0.31 0.00 0.00 61.69 58.82 3brw s THR 213 Cb 0.38 -2.73 -0.13 0.00 0.01 0.00 0.00 72.50 70.03 3brw s THR 213 CO -0.19 -0.89 3.15 0.59 -0.69 0.00 0.00 174.62 176.59 3brw n ASN 214 N 2.73 7.19 -0.52 3.53 3.02 -1.26 -4.80 115.26 125.16 3brw n ASN 214 Ca 0.11 -2.64 0.00 0.00 -0.03 0.00 0.00 54.58 52.02 3brw n ASN 214 Cb 0.34 -1.46 0.00 0.00 -0.61 0.00 0.00 39.78 38.04 3brw n ASN 214 CO 0.00 0.00 0.00 1.21 -2.62 0.00 0.00 177.26 175.85 3brw n GLU 215 N 2.79 0.00 0.00 3.52 2.13 -1.26 -5.13 120.64 122.68 3brw n GLU 215 Ca 0.61 0.00 0.00 0.00 0.66 0.00 0.00 57.16 58.43 3brw n GLU 215 Cb 0.52 0.00 0.00 0.00 0.27 0.00 0.00 31.44 32.23 3brw n GLU 215 CO 0.00 0.00 0.00 0.39 -0.41 0.00 0.00 177.13 177.11 3brw n GLU 216 N 0.00 0.50 -3.91 5.31 4.71 -1.26 -5.04 120.64 120.94 3brw n GLU 216 Ca 0.00 0.00 -0.01 0.00 -0.01 0.00 0.00 57.16 57.14 3brw n GLU 216 Cb 0.00 0.00 0.02 0.00 -1.01 0.00 0.00 31.44 30.45 3brw n GLU 216 CO 0.00 0.00 0.00 -1.12 0.09 0.00 0.00 177.13 176.10 3brw s SER 217 N 0.73 0.01 0.55 1.62 0.01 -1.26 -4.90 113.70 110.45 3brw s SER 217 Ca 0.00 -0.54 0.28 0.00 1.31 0.00 0.00 55.95 56.99 3brw s SER 217 Cb 0.00 0.40 1.45 0.00 0.21 0.00 0.00 66.02 68.08 3brw s SER 217 CO 0.00 -0.79 1.96 -0.65 0.41 0.00 0.00 173.24 174.16 3brw h PRO 218 N 2.00 0.00 0.00 12.44 0.11 -1.99 -3.11 132.00 141.44 3brw h PRO 218 Ca -0.26 0.00 -0.06 0.00 0.11 0.00 0.00 66.00 65.79 3brw h PRO 218 Cb 1.21 0.00 -0.13 0.00 0.11 0.00 0.00 31.00 32.19 3brw h PRO 218 CO 0.35 0.00 -0.63 0.00 -0.21 0.00 0.00 178.00 177.51 3brw n ALA 219 N -2.58 2.26 0.10 -0.75 0.00 -1.26 -4.77 120.51 113.51 3brw n ALA 219 Ca 0.11 -1.77 0.03 0.00 0.00 0.00 0.00 53.44 51.81 3brw n ALA 219 Cb 0.69 -0.56 -0.04 0.00 0.00 0.00 0.00 19.45 19.54 3brw n ALA 219 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 3brw n PHE 220 N -0.05 0.00 1.37 0.00 7.35 -1.21 -3.50 117.46 121.42 3brw n PHE 220 Ca 0.05 0.00 0.00 0.00 -0.76 0.00 0.00 57.45 56.74 3brw n PHE 220 Cb 0.84 -0.08 0.00 0.00 0.35 0.00 0.00 39.48 40.59 3brw n PHE 220 CO 0.00 0.00 0.00 1.55 -0.76 0.00 0.00 176.76 177.55 3brw n VAL 221 N -1.48 0.00 -1.31 -2.13 3.14 -1.18 -3.19 118.33 112.19 3brw n VAL 221 Ca -0.00 0.00 0.00 0.00 -2.96 0.00 0.00 64.34 61.38 3brw n VAL 221 Cb 0.13 -0.28 0.00 0.00 -1.06 0.00 0.00 33.84 32.63 3brw n VAL 221 CO 0.00 0.00 0.00 1.21 -6.46 0.00 0.00 176.83 171.58 3brw n GLU 222 N -0.21 0.00 0.15 1.45 2.13 -1.26 -4.96 120.64 117.94 3brw n GLU 222 Ca 0.00 0.00 0.12 0.00 0.66 0.00 0.00 57.16 57.94 3brw n GLU 222 Cb 0.13 -0.10 0.09 0.00 0.27 0.00 0.00 31.44 31.83 3brw n GLU 222 CO 0.00 0.00 0.00 0.35 -0.41 0.00 0.00 177.13 177.07 3brw h PHE 223 N 0.00 0.00 0.00 4.31 3.57 -1.58 -3.21 116.94 120.03 3brw h PHE 223 Ca 0.00 0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.50 3brw h PHE 223 Cb 0.32 0.00 0.00 0.00 2.79 0.00 0.00 35.95 39.06 3brw h PHE 223 CO 0.00 0.00 0.00 1.28 -2.23 0.00 0.00 178.31 177.36 3brw n LEU 224 N -2.83 0.35 0.07 0.59 4.32 -1.26 -2.39 117.00 115.85 3brw n LEU 224 Ca 0.02 0.55 0.11 0.00 -0.02 0.00 0.00 56.01 56.68 3brw n LEU 224 Cb 0.53 -0.47 -0.04 0.00 -1.62 0.00 0.00 43.42 41.83 3brw n LEU 224 CO 0.37 -0.21 -0.18 -0.62 -1.22 0.00 0.00 177.39 175.53 3brw n GLU 225 N -1.85 0.60 0.15 3.23 1.02 -1.21 -4.08 120.64 118.50 3brw n GLU 225 Ca 0.05 0.03 0.02 0.00 -0.02 0.00 0.00 57.16 57.24 3brw n GLU 225 Cb 0.31 -1.73 0.38 0.00 -0.02 0.00 0.00 31.44 30.37 3brw n GLU 225 CO 0.00 0.00 0.00 0.35 1.18 0.00 0.00 177.13 178.66 3brw h PHE 226 N 0.00 0.15 0.00 -0.32 3.57 -1.53 -3.43 116.94 115.38 3brw h PHE 226 Ca 0.00 -0.02 0.00 0.00 3.53 0.00 0.00 57.97 61.48 3brw h PHE 226 Cb 0.98 -0.04 0.00 0.00 2.79 0.00 0.00 35.95 39.68 3brw h PHE 226 CO 0.00 0.37 0.00 1.28 -2.23 0.00 0.00 178.31 177.73 3brw n LEU 227 N -4.21 0.00 0.00 0.59 4.77 -1.23 -4.78 117.00 112.14 3brw n LEU 227 Ca -0.01 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 55.97 3brw n LEU 227 Cb 0.32 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.41 3brw n LEU 227 CO 0.38 0.00 0.00 0.61 -1.33 0.00 0.00 177.39 177.05 3brw n GLY 228 N 5.00 0.95 2.92 -0.72 0.00 -1.26 -5.03 105.19 107.05 3brw n GLY 228 Ca 0.00 -0.98 -0.22 0.00 0.00 0.00 0.00 46.02 44.82 3brw n GLY 228 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 3brw s GLN 229 N 0.56 1.08 -0.51 1.61 2.00 -0.04 -4.76 119.66 119.60 3brw s GLN 229 Ca 0.00 -0.18 -0.26 0.00 -2.00 0.00 0.00 55.36 52.92 3brw s GLN 229 Cb 0.00 -1.04 -0.06 0.00 0.80 0.00 0.00 33.01 32.71 3brw s GLN 229 CO 0.00 -0.08 2.28 0.15 -0.50 0.00 0.00 175.29 177.14 3brw s LYS 230 N 0.97 2.23 -0.03 1.67 1.02 -1.26 -3.00 119.74 121.35 3brw s LYS 230 Ca -0.10 1.25 0.01 0.00 0.02 0.00 0.00 55.97 57.15 3brw s LYS 230 Cb -0.14 -4.54 -0.03 0.00 -0.52 0.00 0.00 37.83 32.60 3brw s LYS 230 CO 0.00 -3.14 -0.04 0.14 -0.92 0.00 0.00 175.35 171.39 3brw s VAL 231 N 11.45 3.89 -0.11 3.17 -7.23 -0.29 -4.90 120.40 126.38 3brw s VAL 231 Ca 0.91 -0.56 -0.30 0.00 -1.81 0.00 0.00 61.98 60.22 3brw s VAL 231 Cb -0.16 -2.66 -0.02 0.00 0.56 0.00 0.00 36.38 34.09 3brw s VAL 231 CO 0.25 0.48 1.16 -0.54 -0.31 0.00 0.00 175.10 176.14 3brw s LYS 232 N -1.19 4.33 0.33 4.82 -0.14 -1.26 -1.68 119.74 124.95 3brw s LYS 232 Ca 0.16 1.58 0.01 0.00 -1.36 0.00 0.00 55.97 56.36 3brw s LYS 232 Cb -0.11 -3.61 0.56 0.00 -1.68 0.00 0.00 37.83 32.99 3brw s LYS 232 CO 0.06 -0.50 1.94 -0.07 -0.76 0.00 0.00 175.35 176.01 3brw h LEU 233 N 8.65 0.72 -9.50 3.17 3.38 -1.84 -3.36 115.31 116.52 3brw h LEU 233 Ca -0.30 -0.06 -0.53 0.00 0.09 0.00 0.00 57.88 57.07 3brw h LEU 233 Cb 1.13 -0.18 0.02 0.00 0.09 0.00 0.00 40.66 41.73 3brw h LEU 233 CO 0.91 0.60 0.91 -1.10 0.09 0.00 0.00 178.44 179.85 3brw s GLN 234 N -5.49 4.23 -1.35 1.13 1.11 -1.26 -3.00 119.66 115.03 3brw s GLN 234 Ca -0.10 2.26 -0.04 0.00 0.01 0.00 0.00 55.36 57.49 3brw s GLN 234 Cb 0.17 -3.42 0.02 0.00 -1.01 0.00 0.00 33.01 28.77 3brw s GLN 234 CO 0.78 -0.64 0.87 -0.25 0.01 0.00 0.00 175.29 176.05 3brw n ASP 235 N 4.89 -2.74 -4.65 5.90 8.00 0.83 -4.98 116.55 123.80 3brw n ASP 235 Ca 0.14 -0.75 -0.35 0.00 0.71 0.00 0.00 54.79 54.55 3brw n ASP 235 Cb 0.41 -4.28 -0.10 0.00 -0.02 0.00 0.00 41.12 37.13 3brw n ASP 235 CO 0.00 0.00 0.00 0.12 -0.39 0.00 0.00 177.20 176.93 3brw s PHE 236 N -3.50 3.14 -0.74 1.24 5.36 -1.16 -5.03 117.98 117.29 3brw s PHE 236 Ca 0.23 0.10 0.07 0.00 -0.96 0.00 0.00 56.93 56.37 3brw s PHE 236 Cb -0.11 -1.83 0.12 0.00 -0.34 0.00 0.00 43.02 40.85 3brw s PHE 236 CO 0.80 0.36 0.91 1.63 -1.46 0.00 0.00 175.22 177.46 3brw n LYS 237 N 2.46 1.27 0.00 10.12 4.01 -1.26 -4.85 118.16 129.91 3brw n LYS 237 Ca -0.18 -1.33 0.00 0.00 -0.51 0.00 0.00 58.31 56.29 3brw n LYS 237 Cb 0.53 -1.15 0.00 0.00 -0.51 0.00 0.00 35.03 33.90 3brw n LYS 237 CO 0.00 0.00 0.00 0.41 -1.11 0.00 0.00 177.40 176.70 3brw n GLY 238 N 0.28 0.89 3.68 0.72 0.00 -1.26 -5.00 105.19 104.51 3brw n GLY 238 Ca 0.05 -1.58 -0.42 0.00 0.00 0.00 0.00 46.02 44.07 3brw n GLY 238 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 3brw s PHE 239 N 0.47 3.28 0.00 1.61 5.36 -1.26 -4.97 117.98 122.47 3brw s PHE 239 Ca 0.00 1.33 0.00 0.00 -0.96 0.00 0.00 56.93 57.30 3brw s PHE 239 Cb 0.00 -3.35 0.00 0.00 -0.34 0.00 0.00 43.02 39.33 3brw s PHE 239 CO 0.00 -0.96 0.00 0.54 -1.46 0.00 0.00 175.22 173.34 3brw n ARG 240 N 5.25 0.00 -1.33 10.12 1.74 -1.26 -4.81 116.66 126.37 3brw n ARG 240 Ca 0.10 0.21 -0.03 0.00 -0.77 0.00 0.00 57.85 57.36 3brw n ARG 240 Cb 0.47 -0.66 -0.01 0.00 -1.02 0.00 0.00 32.46 31.23 3brw n ARG 240 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 3brw n GLY 241 N 2.21 0.52 0.00 -0.13 0.00 -1.26 -4.19 105.19 102.34 3brw n GLY 241 Ca 0.00 -0.90 0.00 0.00 0.00 0.00 0.00 46.02 45.12 3brw n GLY 241 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3brw n GLY 242 N -2.22 0.63 0.00 -0.02 0.00 -1.26 -5.06 105.19 97.26 3brw n GLY 242 Ca -0.03 -0.13 0.00 0.00 0.00 0.00 0.00 46.02 45.85 3brw n GLY 242 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 3brw n LEU 243 N 0.00 0.00 -4.37 0.99 4.77 -1.26 -5.04 117.00 112.09 3brw n LEU 243 Ca 0.00 0.00 -0.34 0.00 -0.03 0.00 0.00 56.01 55.64 3brw n LEU 243 Cb 0.00 0.00 -0.14 0.00 -2.33 0.00 0.00 43.42 40.95 3brw n LEU 243 CO 0.00 0.00 -0.39 -1.81 -1.33 0.00 0.00 177.39 173.86 3brw s ASP 244 N -0.95 4.38 0.03 -1.43 1.11 -1.26 -5.01 116.67 113.55 3brw s ASP 244 Ca 0.00 -0.31 -0.17 0.00 0.18 0.00 0.00 52.55 52.25 3brw s ASP 244 Cb 0.00 -1.73 -0.28 0.00 1.07 0.00 0.00 42.92 41.98 3brw s ASP 244 CO 0.00 0.06 1.07 1.62 1.18 0.00 0.00 175.17 179.11 3brw h VAL 245 N 5.51 1.35 0.00 -1.27 3.04 -1.89 -3.37 116.25 119.61 3brw h VAL 245 Ca -0.36 -2.37 0.00 0.00 -1.01 0.00 0.00 66.70 62.96 3brw h VAL 245 Cb 1.18 2.73 0.00 0.00 -2.01 0.00 0.00 31.29 33.19 3brw h VAL 245 CO 0.60 0.71 0.00 0.35 -1.01 0.00 0.00 177.57 178.22 3brw n THR 246 N -3.94 0.00 -0.09 3.17 -2.24 -1.26 -0.12 114.28 109.80 3brw n THR 246 Ca -0.13 -0.01 -0.09 0.00 -2.27 0.00 0.00 64.05 61.56 3brw n THR 246 Cb 0.89 1.65 -0.16 0.00 -2.10 0.00 0.00 70.33 70.61 3brw n THR 246 CO 0.00 0.00 0.00 1.41 -0.57 0.00 0.00 175.07 175.91 3brw n HIS 247 N -0.01 0.11 -3.09 4.78 -0.00 -1.26 -4.87 115.22 110.88 3brw n HIS 247 Ca 0.00 0.04 -0.23 0.00 -0.00 0.00 0.00 57.72 57.53 3brw n HIS 247 Cb 0.16 -0.99 0.03 0.00 -0.00 0.00 0.00 29.99 29.19 3brw n HIS 247 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.34 176.75 3brw n GLY 248 N 1.70 -0.52 0.78 -1.41 0.00 -1.26 -4.88 105.19 99.59 3brw n GLY 248 Ca -0.30 0.13 0.03 0.00 0.00 0.00 0.00 46.02 45.89 3brw n GLY 248 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 3brw n GLN 249 N -4.05 2.06 -2.58 1.61 6.02 -1.26 -3.64 117.38 115.54 3brw n GLN 249 Ca -0.10 -1.06 -0.14 0.00 -0.01 0.00 0.00 57.00 55.70 3brw n GLN 249 Cb 0.61 -1.52 0.02 0.00 1.02 0.00 0.00 30.24 30.37 3brw n GLN 249 CO 0.00 0.00 0.00 0.25 -1.01 0.00 0.00 177.06 176.30 3brw n THR 250 N 0.25 1.56 -1.83 5.09 -2.24 -1.26 -4.76 114.28 111.08 3brw n THR 250 Ca 0.10 -3.64 0.00 0.00 -2.27 0.00 0.00 64.05 58.23 3brw n THR 250 Cb 0.43 0.09 0.00 0.00 -2.10 0.00 0.00 70.33 68.75 3brw n THR 250 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3brw n GLY 251 N -0.33 -2.21 0.30 3.38 0.00 -1.22 -4.40 105.19 100.72 3brw n GLY 251 Ca 0.20 -1.50 0.08 0.00 0.00 0.00 0.00 46.02 44.80 3brw n GLY 251 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 3brw n THR 252 N -0.53 1.71 -3.57 2.61 -2.24 -1.26 -4.60 114.28 106.40 3brw n THR 252 Ca 0.00 -2.25 -0.06 0.00 -2.27 0.00 0.00 64.05 59.48 3brw n THR 252 Cb 0.00 -0.12 -0.02 0.00 -2.10 0.00 0.00 70.33 68.09 3brw n THR 252 CO 0.00 0.00 0.00 -1.83 -0.57 0.00 0.00 175.07 172.67 3brw s GLU 253 N -2.58 0.61 0.23 -0.78 -1.05 -1.26 -3.55 118.70 110.32 3brw s GLU 253 Ca 0.30 -0.25 -0.03 0.00 -0.15 0.00 0.00 54.97 54.84 3brw s GLU 253 Cb 0.28 0.26 0.01 0.00 -0.44 0.00 0.00 34.13 34.25 3brw s GLU 253 CO -0.01 -0.27 0.36 0.45 0.95 0.00 0.00 175.26 176.75 3brw n SER 254 N -0.22 -1.02 -4.31 0.83 2.88 -0.68 -4.84 113.62 106.27 3brw n SER 254 Ca -0.05 -2.12 -0.34 0.00 -1.33 0.00 0.00 58.87 55.03 3brw n SER 254 Cb 0.60 1.82 -0.14 0.00 -0.75 0.00 0.00 64.21 65.74 3brw n SER 254 CO 0.00 0.00 0.00 -0.69 -1.23 0.00 0.00 175.04 173.12 3brw s VAL 255 N -2.61 3.11 0.03 2.46 1.01 -1.26 -1.14 120.40 122.00 3brw s VAL 255 Ca 0.16 -0.60 0.01 0.00 0.00 0.00 0.00 61.98 61.54 3brw s VAL 255 Cb -0.01 -2.37 -0.02 0.00 0.00 0.00 0.00 36.38 33.98 3brw s VAL 255 CO 0.11 0.47 -0.05 -0.47 0.00 0.00 0.00 175.10 175.17 3brw s TYR 256 N 1.08 0.42 0.16 5.22 6.14 -1.16 -1.88 117.35 127.34 3brw s TYR 256 Ca 0.00 -0.47 -0.18 0.00 0.64 0.00 0.00 57.07 57.07 3brw s TYR 256 Cb -0.15 -0.27 0.04 0.00 0.42 0.00 0.00 41.96 42.00 3brw s TYR 256 CO -0.02 -0.13 0.49 0.00 0.64 0.00 0.00 175.55 176.54 3brw s ASN 258 N -2.82 4.10 0.00 0.00 -0.87 -1.26 -2.36 114.94 111.73 3brw s ASN 258 Ca 0.05 -0.70 0.00 0.00 -1.57 0.00 0.00 52.86 50.64 3brw s ASN 258 Cb 0.00 -1.65 0.00 0.00 -0.02 0.00 0.00 41.25 39.58 3brw s ASN 258 CO -0.09 -0.08 0.00 0.33 -2.57 0.00 0.00 177.10 174.70 3brw n PHE 259 N 4.70 0.00 0.00 2.20 7.35 -1.01 -5.01 117.46 125.69 3brw n PHE 259 Ca -0.18 0.00 0.00 0.00 -0.76 0.00 0.00 57.45 56.51 3brw n PHE 259 Cb 0.49 -0.03 0.00 0.00 0.35 0.00 0.00 39.48 40.29 3brw n PHE 259 CO 0.00 0.00 0.00 0.54 -0.76 0.00 0.00 176.76 176.54 3brw n ARG 260 N -1.38 0.00 -0.26 -4.13 5.12 -1.26 -4.85 116.66 109.91 3brw n ARG 260 Ca 0.00 0.00 0.12 0.00 -1.93 0.00 0.00 57.85 56.04 3brw n ARG 260 Cb 0.00 0.00 0.25 0.00 -1.16 0.00 0.00 32.46 31.55 3brw n ARG 260 CO 0.00 0.00 0.00 0.09 -1.93 0.00 0.00 177.63 175.79 3brw n ASN 261 N 0.00 3.64 -4.72 0.55 5.03 -1.26 -4.98 115.26 113.51 3brw n ASN 261 Ca 0.00 -1.99 -0.40 0.00 0.87 0.00 0.00 54.58 53.05 3brw n ASN 261 Cb 0.00 -0.34 -0.04 0.00 -1.02 0.00 0.00 39.78 38.38 3brw n ASN 261 CO 0.00 0.00 0.00 -0.54 -1.83 0.00 0.00 177.26 174.89 3brw s LYS 262 N -1.30 4.51 -0.21 3.52 3.01 -1.26 -4.96 119.74 123.05 3brw s LYS 262 Ca 0.42 1.12 -0.16 0.00 -1.01 0.00 0.00 55.97 56.34 3brw s LYS 262 Cb 0.24 -3.42 -0.04 0.00 -1.01 0.00 0.00 37.83 33.60 3brw s LYS 262 CO 0.32 0.11 0.40 -1.21 0.51 0.00 0.00 175.35 175.48 3brw s GLU 263 N 0.54 4.16 -0.22 1.68 2.02 -0.25 -2.40 118.70 124.24 3brw s GLU 263 Ca 0.42 0.19 0.01 0.00 0.02 0.00 0.00 54.97 55.61 3brw s GLU 263 Cb -0.20 -3.55 0.03 0.00 0.10 0.00 0.00 34.13 30.52 3brw s GLU 263 CO 0.23 -0.06 -0.15 0.42 0.02 0.00 0.00 175.26 175.73 3brw s ILE 264 N 1.37 2.24 -0.23 -1.63 1.01 -0.99 -2.09 121.20 120.88 3brw s ILE 264 Ca 0.19 -1.15 -0.03 0.00 0.00 0.00 0.00 60.65 59.66 3brw s ILE 264 Cb -0.15 -2.09 0.01 0.00 0.01 0.00 0.00 42.46 40.24 3brw s ILE 264 CO 0.08 0.31 -0.06 -0.32 0.00 0.00 0.00 174.94 174.95 3brw s MET 265 N 1.24 3.11 0.43 2.79 1.75 -1.16 -2.34 119.30 125.13 3brw s MET 265 Ca 0.00 -0.80 -0.21 0.00 -1.25 0.00 0.00 55.69 53.44 3brw s MET 265 Cb -0.16 -2.97 -0.11 0.00 2.84 0.00 0.00 34.83 34.44 3brw s MET 265 CO -0.09 -0.29 0.95 -0.06 -0.65 0.00 0.00 175.02 174.88 3brw s PHE 266 N 1.40 3.32 -0.33 4.11 0.08 -0.79 -3.47 117.98 122.30 3brw s PHE 266 Ca 0.03 1.60 -0.06 0.00 0.12 0.00 0.00 56.93 58.62 3brw s PHE 266 Cb -0.15 -2.84 0.04 0.00 -0.57 0.00 0.00 43.02 39.50 3brw s PHE 266 CO -0.05 -0.12 0.09 -1.01 -0.10 0.00 0.00 175.22 174.03 3brw s HIS 267 N -2.20 3.24 -0.11 0.36 3.76 0.53 -4.56 115.29 116.31 3brw s HIS 267 Ca 0.62 -1.45 -0.03 0.00 -0.15 0.00 0.00 55.06 54.05 3brw s HIS 267 Cb -0.09 -2.25 -0.03 0.00 1.11 0.00 0.00 32.58 31.32 3brw s HIS 267 CO 0.14 -0.73 0.00 0.08 -0.85 0.00 0.00 174.74 173.39 3brw s VAL 268 N 1.39 4.32 0.12 -0.90 1.01 -1.26 0.14 120.40 125.22 3brw s VAL 268 Ca -0.02 -0.23 -0.16 0.00 0.00 0.00 0.00 61.98 61.57 3brw s VAL 268 Cb -0.19 -2.85 -0.02 0.00 0.00 0.00 0.00 36.38 33.32 3brw s VAL 268 CO 0.02 0.57 1.60 0.77 0.00 0.00 0.00 175.10 178.06 3brw h SER 269 N 5.62 0.59 0.00 3.32 4.64 -1.64 -2.91 113.55 123.18 3brw h SER 269 Ca -0.46 -0.26 0.00 0.00 -0.47 0.00 0.00 61.79 60.61 3brw h SER 269 Cb 1.19 -0.16 0.00 0.00 -0.31 0.00 0.00 62.40 63.12 3brw h SER 269 CO 0.58 0.70 0.00 0.35 -0.87 0.00 0.00 176.83 177.59 3brw n THR 270 N -4.56 0.06 -0.09 2.95 -2.24 -1.26 -2.45 114.28 106.69 3brw n THR 270 Ca -0.01 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.77 3brw n THR 270 Cb 0.22 -0.52 0.00 0.00 -2.10 0.00 0.00 70.33 67.94 3brw n THR 270 CO 0.00 0.00 0.00 0.29 -0.57 0.00 0.00 175.07 174.79 3brw n LYS 271 N 0.04 2.61 -4.03 -0.78 4.76 -1.11 -5.07 118.16 114.58 3brw n LYS 271 Ca 0.00 -0.04 -0.23 0.00 -2.87 0.00 0.00 58.31 55.17 3brw n LYS 271 Cb 0.26 -0.31 -0.03 0.00 -1.84 0.00 0.00 35.03 33.10 3brw n LYS 271 CO 0.00 0.00 0.00 -0.51 -1.37 0.00 0.00 177.40 175.52 3brw s LEU 272 N -0.77 4.09 1.07 -0.35 1.43 -1.03 -3.40 118.68 119.73 3brw s LEU 272 Ca 0.00 -0.05 -0.14 0.00 -1.03 0.00 0.00 54.13 52.91 3brw s LEU 272 Cb 0.00 -2.64 0.16 0.00 0.03 0.00 0.00 46.19 43.74 3brw s LEU 272 CO 0.00 -0.02 0.59 -2.65 0.23 0.00 0.00 176.35 174.50 3brw n PRO 273 N -1.05 -1.44 -3.89 1.29 -0.02 -1.26 -4.86 135.00 123.76 3brw n PRO 273 Ca -0.08 -0.39 -0.10 0.00 -2.02 0.00 0.00 63.50 60.91 3brw n PRO 273 Cb 0.56 -1.99 -0.10 0.00 -0.02 0.00 0.00 33.50 31.96 3brw n PRO 273 CO 0.00 0.00 0.00 -0.47 1.98 0.00 0.00 175.50 177.01 3brw s TYR 274 N -2.39 0.11 0.02 6.00 5.04 -1.26 -4.72 117.35 120.14 3brw s TYR 274 Ca 0.62 -0.29 0.01 0.00 -2.44 0.00 0.00 57.07 54.96 3brw s TYR 274 Cb -0.20 -0.08 -0.01 0.00 0.35 0.00 0.00 41.96 42.01 3brw s TYR 274 CO 0.65 -0.33 -0.04 0.99 -1.34 0.00 0.00 175.55 175.48 3brw s THR 275 N -1.95 0.24 -0.43 4.34 2.01 -1.26 -5.11 115.64 113.49 3brw s THR 275 Ca -0.10 -0.62 -0.28 0.00 0.31 0.00 0.00 61.69 61.00 3brw s THR 275 Cb -0.05 -0.30 -0.01 0.00 0.01 0.00 0.00 72.50 72.15 3brw s THR 275 CO -0.01 -0.25 1.70 -0.70 -0.69 0.00 0.00 174.62 174.67 3brw s GLU 276 N -0.92 3.23 -1.18 4.92 2.56 -1.26 -3.42 118.70 122.63 3brw s GLU 276 Ca -0.08 1.07 -0.01 0.00 0.00 0.00 0.00 54.97 55.95 3brw s GLU 276 Cb -0.06 -4.20 -0.01 0.00 2.00 0.00 0.00 34.13 31.86 3brw s GLU 276 CO -0.00 -1.99 0.96 0.41 -0.56 0.00 0.00 175.26 174.07 3brw n GLY 277 N 5.40 -0.52 3.78 -1.50 0.00 -1.26 -4.99 105.19 106.10 3brw n GLY 277 Ca 0.20 0.20 -0.31 0.00 0.00 0.00 0.00 46.02 46.11 3brw n GLY 277 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 3brw s ASP 278 N -4.16 4.74 0.02 1.61 -1.08 -1.22 -5.01 116.67 111.57 3brw s ASP 278 Ca 0.10 1.78 -0.26 0.00 -0.52 0.00 0.00 52.55 53.64 3brw s ASP 278 Cb -0.01 -2.52 -0.16 0.00 -1.46 0.00 0.00 42.92 38.77 3brw s ASP 278 CO 0.74 -1.88 1.21 0.00 0.52 0.00 0.00 175.17 175.77 3brw h ALA 279 N -0.99 -0.69 0.00 3.66 0.00 -1.95 -3.41 119.26 115.88 3brw h ALA 279 Ca -0.44 -0.19 -0.09 0.00 0.00 0.00 0.00 54.91 54.19 3brw h ALA 279 Cb 1.23 0.27 -0.18 0.00 0.00 0.00 0.00 17.79 19.10 3brw h ALA 279 CO 0.53 -0.74 -0.65 0.00 0.00 0.00 0.00 179.25 178.38 3brw n GLN 280 N -5.28 0.00 -3.37 0.00 0.00 -1.26 -4.94 117.38 102.53 3brw n GLN 280 Ca -0.11 -1.33 -0.15 0.00 0.00 0.00 0.00 57.00 55.42 3brw n GLN 280 Cb 0.32 -0.10 0.02 0.00 0.00 0.00 0.00 30.24 30.48 3brw n GLN 280 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.06 178.10 3brw n GLN 281 N 0.21 -1.51 0.13 2.61 1.13 -1.26 -4.46 117.38 114.23 3brw n GLN 281 Ca -0.01 1.00 0.07 0.00 -1.94 0.00 0.00 57.00 56.12 3brw n GLN 281 Cb 0.87 -4.82 0.35 0.00 0.11 0.00 0.00 30.24 26.76 3brw n GLN 281 CO 0.00 0.00 0.00 1.28 -1.44 0.00 0.00 177.06 176.90 3brw n LEU 282 N -2.78 0.34 0.13 1.08 4.77 -1.26 -0.58 117.00 118.69 3brw n LEU 282 Ca -0.09 0.58 0.12 0.00 -0.03 0.00 0.00 56.01 56.59 3brw n LEU 282 Cb 0.58 -0.58 0.04 0.00 -2.33 0.00 0.00 43.42 41.13 3brw n LEU 282 CO 0.59 -0.70 0.21 1.56 -1.33 0.00 0.00 177.39 177.72 3brw h GLN 283 N 0.00 0.00 0.00 3.23 1.08 -1.89 -3.41 115.11 114.12 3brw h GLN 283 Ca 0.00 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.20 3brw h GLN 283 Cb 0.33 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 27.76 3brw h GLN 283 CO 0.00 0.00 -0.87 0.54 -0.95 0.00 0.00 178.83 177.55 3brw n ARG 284 N -2.76 2.44 0.04 1.46 1.74 0.16 -4.67 116.66 115.07 3brw n ARG 284 Ca 0.01 0.00 0.07 0.00 -0.77 0.00 0.00 57.85 57.16 3brw n ARG 284 Cb 0.54 -0.94 0.30 0.00 -1.02 0.00 0.00 32.46 31.35 3brw n ARG 284 CO 0.00 0.00 0.00 1.17 -1.52 0.00 0.00 177.63 177.28 3brw n LYS 285 N -1.98 0.05 -0.07 5.56 0.00 0.25 -1.78 118.16 120.20 3brw n LYS 285 Ca 0.00 0.36 -0.09 0.00 0.00 0.00 0.00 58.31 58.58 3brw n LYS 285 Cb 0.44 -1.60 -0.15 0.00 0.00 0.00 0.00 35.03 33.71 3brw n LYS 285 CO 0.00 0.00 0.00 2.89 0.00 0.00 0.00 177.40 180.29 3brw n ARG 286 N -1.69 0.67 0.15 1.64 1.85 -1.26 -2.98 116.66 115.02 3brw n ARG 286 Ca 0.02 0.10 -0.09 0.00 -1.00 0.00 0.00 57.85 56.88 3brw n ARG 286 Cb 0.14 -1.62 -0.05 0.00 -1.05 0.00 0.00 32.46 29.88 3brw n ARG 286 CO 0.00 0.00 0.00 0.45 -0.01 0.00 0.00 177.63 178.07 3brw h HIS 287 N 0.00 -0.41 0.00 2.89 3.86 -1.65 -3.09 115.15 116.75 3brw h HIS 287 Ca -0.45 -0.01 0.00 0.00 -1.16 0.00 0.00 60.37 58.75 3brw h HIS 287 Cb 2.15 0.14 0.00 0.00 1.06 0.00 0.00 27.41 30.76 3brw h HIS 287 CO 0.00 -0.16 -0.12 -0.89 0.86 0.00 0.00 177.93 177.62 3brw n ILE 288 N -5.08 0.36 0.19 2.45 5.41 -0.73 -3.13 119.36 118.84 3brw n ILE 288 Ca -0.07 -0.19 0.08 0.00 1.00 0.00 0.00 62.75 63.57 3brw n ILE 288 Cb 0.23 -0.44 0.25 0.00 -0.71 0.00 0.00 39.64 38.97 3brw n ILE 288 CO 0.00 0.00 0.00 1.23 0.00 0.00 0.00 176.55 177.78 3brw h GLY 289 N 4.68 0.00 -3.22 7.39 0.00 -1.64 -3.25 103.07 107.03 3brw h GLY 289 Ca 0.00 0.00 -0.22 0.00 0.00 0.00 0.00 47.33 47.11 3brw h GLY 289 CO 0.00 0.00 0.23 0.70 0.00 0.00 0.00 176.54 177.47 3brw n ASN 290 N -3.26 4.26 -4.35 0.19 3.02 -1.17 -4.10 115.26 109.85 3brw n ASN 290 Ca 0.02 -3.32 -0.33 0.00 -0.03 0.00 0.00 54.58 50.91 3brw n ASN 290 Cb 0.56 -0.72 -0.15 0.00 -0.61 0.00 0.00 39.78 38.86 3brw n ASN 290 CO 0.00 0.00 0.00 -1.81 -2.62 0.00 0.00 177.26 172.83 3brw s ASP 291 N -1.40 3.92 0.33 6.41 1.01 -1.23 -5.02 116.67 120.69 3brw s ASP 291 Ca 0.52 -0.35 0.12 0.00 0.71 0.00 0.00 52.55 53.55 3brw s ASP 291 Cb 0.43 -1.59 0.56 0.00 1.01 0.00 0.00 42.92 43.33 3brw s ASP 291 CO 0.11 0.16 1.73 0.40 0.21 0.00 0.00 175.17 177.77 3brw h ILE 292 N 5.44 1.32 -4.30 0.77 2.04 -1.77 -3.40 117.51 117.62 3brw h ILE 292 Ca -0.25 -1.67 -0.55 0.00 1.00 0.00 0.00 64.86 63.39 3brw h ILE 292 Cb 1.21 1.91 -0.29 0.00 -0.74 0.00 0.00 36.82 38.91 3brw h ILE 292 CO 0.55 0.47 -0.84 -0.69 0.00 0.00 0.00 178.15 177.65 3brw s VAL 293 N -3.90 1.45 0.14 1.67 1.01 -1.26 -1.94 120.40 117.57 3brw s VAL 293 Ca -0.02 -0.85 0.01 0.00 0.00 0.00 0.00 61.98 61.13 3brw s VAL 293 Cb 0.13 -1.22 -0.04 0.00 0.00 0.00 0.00 36.38 35.25 3brw s VAL 293 CO 0.74 0.35 -0.01 0.00 0.00 0.00 0.00 175.10 176.18 3brw s ALA 294 N -0.50 1.18 -0.11 5.51 0.00 -0.45 -2.48 121.76 124.90 3brw s ALA 294 Ca 0.07 -1.50 0.02 0.00 0.00 0.00 0.00 51.96 50.55 3brw s ALA 294 Cb -0.07 0.45 -0.01 0.00 0.00 0.00 0.00 23.12 23.49 3brw s ALA 294 CO -0.00 -0.31 -0.18 0.08 0.00 0.00 0.00 175.76 175.34 3brw s VAL 295 N -3.69 2.57 -0.31 0.00 1.01 0.35 -1.76 120.40 118.57 3brw s VAL 295 Ca 0.20 -0.84 0.03 0.00 0.00 0.00 0.00 61.98 61.37 3brw s VAL 295 Cb 0.06 -2.03 0.09 0.00 0.00 0.00 0.00 36.38 34.49 3brw s VAL 295 CO 0.01 0.54 0.01 -0.69 0.00 0.00 0.00 175.10 174.97 3brw s VAL 296 N 0.31 2.02 -0.28 2.92 1.01 -0.04 -0.92 120.40 125.43 3brw s VAL 296 Ca -0.14 -1.98 -0.27 0.00 0.00 0.00 0.00 61.98 59.59 3brw s VAL 296 Cb -0.17 -2.40 0.01 0.00 0.00 0.00 0.00 36.38 33.83 3brw s VAL 296 CO 0.07 -0.44 0.98 0.12 0.00 0.00 0.00 175.10 175.83 3brw s PHE 297 N 1.07 3.24 0.53 5.22 5.36 -0.53 -2.69 117.98 130.19 3brw s PHE 297 Ca 0.05 1.21 0.04 0.00 -0.96 0.00 0.00 56.93 57.27 3brw s PHE 297 Cb -0.19 -3.38 0.02 0.00 -0.34 0.00 0.00 43.02 39.13 3brw s PHE 297 CO -0.09 -0.58 0.25 1.14 -1.46 0.00 0.00 175.22 174.47 3brw s GLN 298 N 3.27 2.23 0.19 10.12 -2.07 0.23 -1.48 119.66 132.15 3brw s GLN 298 Ca 0.41 -2.18 0.00 0.00 -1.82 0.00 0.00 55.36 51.77 3brw s GLN 298 Cb -0.14 -1.87 0.00 0.00 -1.09 0.00 0.00 33.01 29.91 3brw s GLN 298 CO 0.11 -0.53 0.00 -0.25 -1.32 0.00 0.00 175.29 173.30 3brw n ASP 299 N -1.58 0.35 -4.81 12.60 8.00 -1.26 -3.26 116.55 126.59 3brw n ASP 299 Ca -0.09 0.31 -0.36 0.00 0.71 0.00 0.00 54.79 55.35 3brw n ASP 299 Cb 0.65 0.08 -0.07 0.00 -0.02 0.00 0.00 41.12 41.76 3brw n ASP 299 CO 0.00 0.00 0.00 -1.61 -0.39 0.00 0.00 177.20 175.20 3brw s GLU 300 N -2.00 3.84 -0.84 -1.24 2.02 -1.26 -4.03 118.70 115.19 3brw s GLU 300 Ca 0.00 -0.05 -0.23 0.00 0.02 0.00 0.00 54.97 54.72 3brw s GLU 300 Cb 0.00 -3.30 -0.18 0.00 0.10 0.00 0.00 34.13 30.75 3brw s GLU 300 CO 0.00 0.55 2.26 -1.71 0.02 0.00 0.00 175.26 176.37 3brw n ASN 301 N 2.65 1.08 -4.68 -0.19 2.85 -1.26 -4.91 115.26 110.81 3brw n ASN 301 Ca -0.17 -1.56 -0.38 0.00 -0.11 0.00 0.00 54.58 52.37 3brw n ASN 301 Cb 0.53 -1.47 -0.08 0.00 1.24 0.00 0.00 39.78 40.00 3brw n ASN 301 CO 0.00 0.00 0.00 -0.89 -2.11 0.00 0.00 177.26 174.26 3brw s THR 302 N 12.68 5.24 -0.11 -0.44 2.01 -1.26 -5.03 115.64 128.73 3brw s THR 302 Ca 0.92 0.61 -0.37 0.00 0.31 0.00 0.00 61.69 63.16 3brw s THR 302 Cb -0.21 -3.68 -0.14 0.00 0.01 0.00 0.00 72.50 68.48 3brw s THR 302 CO 0.17 0.29 1.71 -2.65 -0.69 0.00 0.00 174.62 173.44 3brw n PRO 303 N 4.30 1.60 -3.74 4.92 -0.02 -1.26 -4.96 135.00 135.84 3brw n PRO 303 Ca -0.10 0.59 -0.30 0.00 -2.02 0.00 0.00 63.50 61.67 3brw n PRO 303 Cb 0.51 -2.33 -0.14 0.00 -0.02 0.00 0.00 33.50 31.53 3brw n PRO 303 CO 0.00 0.00 0.00 0.12 1.98 0.00 0.00 175.50 177.60 3brw s PHE 304 N 2.93 1.94 0.72 6.00 2.19 -1.26 -4.97 117.98 125.53 3brw s PHE 304 Ca 0.92 -2.09 -0.13 0.00 0.33 0.00 0.00 56.93 55.96 3brw s PHE 304 Cb -0.88 -1.85 0.03 0.00 -1.31 0.00 0.00 43.02 39.00 3brw s PHE 304 CO 0.55 -0.85 1.11 0.14 1.83 0.00 0.00 175.22 178.00 3brw s VAL 305 N 1.08 3.21 0.21 3.12 -7.23 -1.26 -4.95 120.40 114.57 3brw s VAL 305 Ca 0.13 0.49 0.30 0.00 -1.81 0.00 0.00 61.98 61.08 3brw s VAL 305 Cb -0.20 -2.98 0.32 0.00 0.56 0.00 0.00 36.38 34.08 3brw s VAL 305 CO -0.14 -0.42 1.97 1.55 -0.31 0.00 0.00 175.10 177.75 3brw h PRO 306 N -0.51 0.00 -1.15 4.82 0.13 -1.98 -3.31 132.00 130.00 3brw h PRO 306 Ca -0.45 0.00 -0.25 0.00 -0.87 0.00 0.00 66.00 64.42 3brw h PRO 306 Cb 1.24 0.00 -0.14 0.00 0.13 0.00 0.00 31.00 32.24 3brw h PRO 306 CO 0.52 0.10 0.32 -0.25 -0.23 0.00 0.00 178.00 178.47 3brw n ASP 307 N -3.30 4.20 0.03 1.44 8.00 -1.26 -4.56 116.55 121.10 3brw n ASP 307 Ca -0.00 -2.81 -0.02 0.00 0.71 0.00 0.00 54.79 52.67 3brw n ASP 307 Cb 0.32 -0.77 0.25 0.00 -0.02 0.00 0.00 41.12 40.90 3brw n ASP 307 CO 0.00 0.00 0.00 0.24 -0.39 0.00 0.00 177.20 177.05 3brw h MET 308 N 0.73 0.43 -3.82 -1.24 2.86 -1.97 -3.42 114.93 108.49 3brw h MET 308 Ca 0.28 -0.14 -0.37 0.00 -2.06 0.00 0.00 59.70 57.41 3brw h MET 308 Cb 1.58 -0.04 -0.34 0.00 0.06 0.00 0.00 31.60 32.86 3brw h MET 308 CO 0.56 0.62 -0.76 0.42 1.06 0.00 0.00 176.91 178.81 3brw s ILE 309 N -4.58 0.31 -0.83 -1.22 1.01 -1.26 -4.31 121.20 110.32 3brw s ILE 309 Ca -0.07 0.02 -0.25 0.00 0.00 0.00 0.00 60.65 60.35 3brw s ILE 309 Cb 0.14 -0.39 0.02 0.00 0.01 0.00 0.00 42.46 42.25 3brw s ILE 309 CO 0.78 0.18 1.46 0.00 0.00 0.00 0.00 174.94 177.36 3brw s ALA 310 N 1.06 2.57 0.01 9.38 0.00 -1.26 -4.94 121.76 128.58 3brw s ALA 310 Ca -0.09 -1.59 -0.16 0.00 0.00 0.00 0.00 51.96 50.12 3brw s ALA 310 Cb -0.14 -4.38 0.03 0.00 0.00 0.00 0.00 23.12 18.63 3brw s ALA 310 CO -0.01 -3.60 0.36 0.45 0.00 0.00 0.00 175.76 172.95 3brw s SER 311 N 5.05 -0.22 -0.03 0.00 0.15 -1.26 -5.11 113.70 112.27 3brw s SER 311 Ca 0.46 0.03 -0.06 0.00 0.70 0.00 0.00 55.95 57.07 3brw s SER 311 Cb -0.06 0.37 -0.03 0.00 -1.71 0.00 0.00 66.02 64.58 3brw s SER 311 CO 0.06 -0.56 0.38 0.78 1.20 0.00 0.00 173.24 175.10 3brw h ASN 312 N 3.41 -0.19 -0.71 5.45 2.35 -1.92 -3.40 115.58 120.56 3brw h ASN 312 Ca -0.30 0.01 -0.51 0.00 -0.55 0.00 0.00 56.30 54.94 3brw h ASN 312 Cb 1.19 0.05 -0.11 0.00 0.05 0.00 0.00 38.32 39.49 3brw h ASN 312 CO 0.43 0.07 1.18 0.49 -1.65 0.00 0.00 177.43 177.95 3brw n PHE 313 N -3.77 1.60 -3.79 1.19 3.01 -1.26 -4.82 117.46 109.63 3brw n PHE 313 Ca -0.03 -2.22 -0.14 0.00 1.01 0.00 0.00 57.45 56.08 3brw n PHE 313 Cb 0.09 -1.69 -0.15 0.00 -0.01 0.00 0.00 39.48 37.72 3brw n PHE 313 CO 0.00 0.00 0.00 -0.51 1.01 0.00 0.00 176.76 177.26 3brw s LEU 314 N -1.38 1.22 0.00 4.37 1.43 -1.26 -3.12 118.68 119.94 3brw s LEU 314 Ca 0.61 0.11 0.00 0.00 -1.03 0.00 0.00 54.13 53.82 3brw s LEU 314 Cb 0.29 0.09 0.00 0.00 0.03 0.00 0.00 46.19 46.60 3brw s LEU 314 CO -0.12 -0.10 0.00 1.41 0.23 0.00 0.00 176.35 177.77 3brw n HIS 315 N 3.86 0.00 -3.73 0.29 8.25 -0.82 -5.04 115.22 118.02 3brw n HIS 315 Ca -0.23 0.00 -0.12 0.00 -0.26 0.00 0.00 57.72 57.11 3brw n HIS 315 Cb 0.53 0.00 -0.13 0.00 1.12 0.00 0.00 29.99 31.52 3brw n HIS 315 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 3brw s ALA 316 N 0.00 -0.60 0.00 -1.41 0.00 -1.11 -4.15 121.76 114.49 3brw s ALA 316 Ca 0.00 0.99 0.04 0.00 0.00 0.00 0.00 51.96 53.00 3brw s ALA 316 Cb 0.00 -0.62 -0.01 0.00 0.00 0.00 0.00 23.12 22.49 3brw s ALA 316 CO 0.00 -0.19 -0.14 0.71 0.00 0.00 0.00 175.76 176.14 3brw s TYR 317 N 1.10 1.25 -0.06 0.00 2.02 -0.17 -1.35 117.35 120.14 3brw s TYR 317 Ca -0.08 -0.26 0.05 0.00 -0.37 0.00 0.00 57.07 56.41 3brw s TYR 317 Cb -0.09 -0.79 -0.01 0.00 -0.40 0.00 0.00 41.96 40.67 3brw s TYR 317 CO -0.07 -0.01 -0.23 0.54 -1.57 0.00 0.00 175.55 174.21 3brw s VAL 318 N -0.45 2.24 -0.14 0.71 0.11 -0.72 -2.70 120.40 119.46 3brw s VAL 318 Ca 0.05 -1.00 -0.01 0.00 -2.93 0.00 0.00 61.98 58.09 3brw s VAL 318 Cb -0.06 -1.83 -0.02 0.00 -1.53 0.00 0.00 36.38 32.94 3brw s VAL 318 CO -0.00 0.57 -0.10 -0.69 -3.33 0.00 0.00 175.10 171.54 3brw s VAL 319 N -0.17 3.31 -0.19 2.04 1.01 -1.26 -0.86 120.40 124.28 3brw s VAL 319 Ca -0.03 -0.57 0.01 0.00 0.00 0.00 0.00 61.98 61.38 3brw s VAL 319 Cb -0.14 -2.41 0.02 0.00 0.00 0.00 0.00 36.38 33.86 3brw s VAL 319 CO 0.04 0.52 -0.17 -0.69 0.00 0.00 0.00 175.10 174.79 3brw s VAL 320 N 0.32 2.22 -0.01 2.92 1.01 -1.10 -3.66 120.40 122.11 3brw s VAL 320 Ca -0.08 -0.95 -0.00 0.00 0.00 0.00 0.00 61.98 60.94 3brw s VAL 320 Cb -0.15 -1.97 -0.04 0.00 0.00 0.00 0.00 36.38 34.21 3brw s VAL 320 CO 0.05 0.48 0.07 -1.58 0.00 0.00 0.00 175.10 174.11 3brw s GLN 321 N 1.30 3.03 0.06 2.72 0.74 -1.25 -0.60 119.66 125.64 3brw s GLN 321 Ca 0.04 -0.49 -0.07 0.00 0.05 0.00 0.00 55.36 54.89 3brw s GLN 321 Cb -0.14 -2.83 -0.05 0.00 1.10 0.00 0.00 33.01 31.09 3brw s GLN 321 CO -0.11 0.65 0.33 0.00 -0.55 0.00 0.00 175.29 175.60 3brw s ALA 322 N -1.16 3.81 0.12 1.58 0.00 -1.20 -3.56 121.76 121.35 3brw s ALA 322 Ca 0.22 -0.53 -0.05 0.00 0.00 0.00 0.00 51.96 51.60 3brw s ALA 322 Cb -0.12 -2.12 0.02 0.00 0.00 0.00 0.00 23.12 20.90 3brw s ALA 322 CO 0.12 0.64 0.24 -1.91 0.00 0.00 0.00 175.76 174.86 3brw n GLU 323 N 0.77 0.33 -4.00 0.00 4.07 -1.09 -4.91 120.64 115.81 3brw n GLU 323 Ca -0.08 -0.66 -0.08 0.00 -0.06 0.00 0.00 57.16 56.28 3brw n GLU 323 Cb 0.52 0.82 -0.10 0.00 -0.06 0.00 0.00 31.44 32.63 3brw n GLU 323 CO 0.00 0.00 0.00 0.20 -0.06 0.00 0.00 177.13 177.27 3brw s GLY 324 N -1.67 0.31 0.00 8.31 0.00 -1.26 -3.63 107.32 109.38 3brw s GLY 324 Ca 0.05 -0.86 0.00 0.00 0.00 0.00 0.00 44.72 43.91 3brw s GLY 324 CO 0.03 -0.97 0.00 0.61 0.00 0.00 0.00 173.10 172.77 3brw n GLY 325 N 0.57 0.61 3.75 0.20 0.00 -1.26 -4.57 105.19 104.49 3brw n GLY 325 Ca -0.17 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.44 3brw n GLY 325 CO 0.00 0.00 0.00 -4.14 0.00 0.00 0.00 173.32 169.18 3brw s PRO 330 N 0.00 4.41 0.21 1.61 0.02 -1.26 -5.16 135.00 134.82 3brw s PRO 330 Ca 0.00 2.07 0.11 0.00 0.02 0.00 0.00 61.00 63.20 3brw s PRO 330 Cb 0.00 -3.17 -0.05 0.00 0.02 0.00 0.00 34.50 31.31 3brw s PRO 330 CO 0.00 -0.19 -0.21 -0.51 -0.33 0.00 0.00 177.00 175.75 3brw s LEU 331 N -0.62 2.54 0.06 -5.54 1.43 -1.24 -4.12 118.68 111.19 3brw s LEU 331 Ca 0.54 -0.86 0.04 0.00 -1.03 0.00 0.00 54.13 52.81 3brw s LEU 331 Cb -0.37 -1.22 -0.03 0.00 0.03 0.00 0.00 46.19 44.60 3brw s LEU 331 CO 0.42 0.10 -0.11 -0.31 0.23 0.00 0.00 176.35 176.68 3brw s TYR 332 N -1.85 0.96 0.44 0.29 2.02 -1.26 -2.66 117.35 115.29 3brw s TYR 332 Ca 0.23 -0.47 0.07 0.00 -0.37 0.00 0.00 57.07 56.53 3brw s TYR 332 Cb -0.07 -0.55 -0.03 0.00 -0.40 0.00 0.00 41.96 40.90 3brw s TYR 332 CO 0.12 -0.01 0.28 0.15 -1.57 0.00 0.00 175.55 174.51 3brw s LYS 333 N -1.64 2.33 0.40 -0.62 1.02 -1.23 -4.78 119.74 115.21 3brw s LYS 333 Ca -0.06 -1.79 0.07 0.00 0.02 0.00 0.00 55.97 54.22 3brw s LYS 333 Cb -0.10 -2.12 -0.07 0.00 -0.52 0.00 0.00 37.83 35.03 3brw s LYS 333 CO 0.01 -0.23 0.05 0.08 -0.92 0.00 0.00 175.35 174.34 3brw s VAL 334 N -2.59 2.15 -0.28 3.17 1.01 -1.26 -3.96 120.40 118.64 3brw s VAL 334 Ca 0.41 -1.93 -0.22 0.00 0.00 0.00 0.00 61.98 60.24 3brw s VAL 334 Cb 0.01 -2.96 0.09 0.00 0.00 0.00 0.00 36.38 33.52 3brw s VAL 334 CO 0.24 -0.03 0.81 -0.55 0.00 0.00 0.00 175.10 175.56 3brw s SER 335 N -3.75 -0.70 -0.59 3.32 0.15 -1.24 -4.79 113.70 106.09 3brw s SER 335 Ca 0.36 1.28 0.04 0.00 0.70 0.00 0.00 55.95 58.33 3brw s SER 335 Cb 0.07 1.29 0.36 0.00 -1.71 0.00 0.00 66.02 66.03 3brw s SER 335 CO 0.19 -0.21 1.09 1.33 1.20 0.00 0.00 173.24 176.84 3brw n VAL 336 N 3.00 3.20 -2.82 4.45 0.24 -1.26 -4.18 118.33 120.96 3brw n VAL 336 Ca -0.15 -5.44 -0.42 0.00 -2.04 0.00 0.00 64.34 56.28 3brw n VAL 336 Cb 0.56 -1.38 -0.04 0.00 -1.47 0.00 0.00 33.84 31.52 3brw n VAL 336 CO 0.00 0.00 0.00 -0.89 -2.14 0.00 0.00 176.83 173.80 3brw s THR 337 N -4.72 4.66 0.04 3.34 2.01 -1.10 -5.00 115.64 114.88 3brw s THR 337 Ca 0.48 1.35 -0.23 0.00 0.31 0.00 0.00 61.69 63.60 3brw s THR 337 Cb 0.30 -4.27 0.05 0.00 0.01 0.00 0.00 72.50 68.59 3brw s THR 337 CO -0.16 -0.38 0.53 0.00 -0.69 0.00 0.00 174.62 173.91 3brw s ALA 338 N 3.28 -1.35 0.00 7.40 0.00 -1.26 -0.99 121.76 128.84 3brw s ALA 338 Ca 0.38 0.63 -0.05 0.00 0.00 0.00 0.00 51.96 52.92 3brw s ALA 338 Cb -0.13 0.37 -0.22 0.00 0.00 0.00 0.00 23.12 23.14 3brw s ALA 338 CO 0.15 -0.50 3.10 0.54 0.00 0.00 0.00 175.76 179.05 3brw n ARG 339 N 0.43 1.66 0.00 0.00 1.74 -1.26 -4.84 116.66 114.40 3brw n ARG 339 Ca -0.18 -0.83 0.00 0.00 -0.77 0.00 0.00 57.85 56.07 3brw n ARG 339 Cb 0.60 -1.91 0.00 0.00 -1.02 0.00 0.00 32.46 30.13 3brw n ARG 339 CO 0.00 0.00 0.00 -0.40 -1.52 0.00 0.00 177.63 175.71 3brw n ASP 340 N 2.57 0.00 0.14 0.55 3.85 -1.26 -4.52 116.55 117.88 3brw n ASP 340 Ca 0.36 0.00 0.13 0.00 -0.71 0.00 0.00 54.79 54.56 3brw n ASP 340 Cb 0.77 0.00 0.34 0.00 -1.35 0.00 0.00 41.12 40.88 3brw n ASP 340 CO 0.00 0.00 0.00 -0.78 -1.01 0.00 0.00 177.20 175.41 3brw h ASP 341 N 0.00 0.00 -3.55 -1.12 3.58 -1.94 -3.46 116.42 109.93 3brw h ASP 341 Ca 0.00 0.00 -0.52 0.00 0.42 0.00 0.00 57.03 56.93 3brw h ASP 341 Cb 0.00 0.00 -0.03 0.00 1.72 0.00 0.00 39.33 41.02 3brw h ASP 341 CO 0.00 0.00 0.07 0.68 -2.88 0.00 0.00 179.24 177.11 3brw s VAL 342 N -3.13 4.63 0.88 2.25 -7.23 -1.26 -4.45 120.40 112.09 3brw s VAL 342 Ca 0.10 1.15 -0.15 0.00 -1.81 0.00 0.00 61.98 61.27 3brw s VAL 342 Cb 0.10 -3.80 0.20 0.00 0.56 0.00 0.00 36.38 33.45 3brw s VAL 342 CO 0.62 0.15 1.19 -0.81 -0.31 0.00 0.00 175.10 175.94 3brw n PRO 343 N 0.56 -1.15 -1.94 4.82 -0.04 -1.26 -5.04 135.00 130.94 3brw n PRO 343 Ca -0.02 -1.87 -0.36 0.00 -0.04 0.00 0.00 63.50 61.22 3brw n PRO 343 Cb 0.51 -1.22 0.04 0.00 -0.04 0.00 0.00 33.50 32.79 3brw n PRO 343 CO 0.00 0.00 0.00 0.12 -0.04 0.00 0.00 175.50 175.58 3brw s PHE 344 N -3.60 2.37 0.24 0.54 2.19 -1.26 -4.97 117.98 113.49 3brw s PHE 344 Ca 0.68 1.53 -0.17 0.00 0.33 0.00 0.00 56.93 59.29 3brw s PHE 344 Cb -0.02 -3.46 0.02 0.00 -1.31 0.00 0.00 43.02 38.25 3brw s PHE 344 CO 0.48 -2.21 0.57 -0.59 1.83 0.00 0.00 175.22 175.30 3brw s PHE 345 N -1.68 -0.02 0.21 10.12 -0.71 -1.26 -5.00 117.98 119.64 3brw s PHE 345 Ca 0.76 -0.37 0.00 0.00 -1.04 0.00 0.00 56.93 56.29 3brw s PHE 345 Cb -0.29 0.44 0.00 0.00 -1.21 0.00 0.00 43.02 41.95 3brw s PHE 345 CO 0.35 -1.04 0.00 0.41 -1.34 0.00 0.00 175.22 173.60 3brw n GLY 346 N -0.39 -1.88 3.63 1.99 0.00 -1.26 -4.55 105.19 102.73 3brw n GLY 346 Ca -0.06 -1.32 -0.43 0.00 0.00 0.00 0.00 46.02 44.22 3brw n GLY 346 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 3brw s PRO 347 N -2.05 3.65 0.57 1.61 0.04 -1.26 -4.91 135.00 132.65 3brw s PRO 347 Ca 0.00 2.21 -0.19 0.00 0.04 0.00 0.00 61.00 63.06 3brw s PRO 347 Cb 0.00 -4.23 -0.07 0.00 0.04 0.00 0.00 34.50 30.24 3brw s PRO 347 CO 0.00 -1.51 0.76 -2.30 0.04 0.00 0.00 177.00 173.99 3brw n PRO 348 N 8.09 0.74 -2.36 0.56 -0.02 -1.26 -4.90 135.00 135.84 3brw n PRO 348 Ca 0.24 0.29 -0.43 0.00 -2.02 0.00 0.00 63.50 61.58 3brw n PRO 348 Cb 0.43 -1.94 -0.02 0.00 -0.02 0.00 0.00 33.50 31.95 3brw n PRO 348 CO 0.00 0.00 0.00 -0.48 1.98 0.00 0.00 175.50 177.00 3brw s LEU 349 N -0.63 4.23 0.60 2.45 2.34 -1.26 -5.02 118.68 121.40 3brw s LEU 349 Ca 0.72 1.82 -0.18 0.00 0.06 0.00 0.00 54.13 56.54 3brw s LEU 349 Cb -0.44 -3.54 -0.03 0.00 -0.56 0.00 0.00 46.19 41.61 3brw s LEU 349 CO 0.51 -0.74 1.20 -2.16 -1.06 0.00 0.00 176.35 174.10 3brw s PRO 350 N 3.18 2.95 0.11 1.48 0.04 -1.26 -4.98 135.00 136.52 3brw s PRO 350 Ca 0.58 1.79 -0.28 0.00 0.04 0.00 0.00 61.00 63.13 3brw s PRO 350 Cb -0.25 -1.93 -0.10 0.00 0.04 0.00 0.00 34.50 32.27 3brw s PRO 350 CO 0.19 -1.21 1.64 -0.44 0.04 0.00 0.00 177.00 177.21 3brw h ASP 351 N 0.81 -0.76 -3.23 6.66 3.45 -2.05 -3.38 116.42 117.93 3brw h ASP 351 Ca -0.50 0.08 -0.48 0.00 0.43 0.00 0.00 57.03 56.56 3brw h ASP 351 Cb 1.29 0.28 0.02 0.00 -0.56 0.00 0.00 39.33 40.36 3brw h ASP 351 CO 0.55 -0.37 -0.02 -2.16 -1.57 0.00 0.00 179.24 175.66 3brw s PRO 352 N -6.05 3.52 0.00 3.56 0.04 -1.26 -4.96 135.00 129.84 3brw s PRO 352 Ca -0.16 -0.04 -0.03 0.00 0.04 0.00 0.00 61.00 60.81 3brw s PRO 352 Cb 0.07 -2.50 -0.14 0.00 0.04 0.00 0.00 34.50 31.97 3brw s PRO 352 CO 0.65 -0.05 2.38 0.00 0.04 0.00 0.00 177.00 180.02 3brw n ALA 353 N -2.05 4.45 0.28 8.56 0.00 -1.26 -4.66 120.51 125.82 3brw n ALA 353 Ca -0.02 -0.92 0.18 0.00 0.00 0.00 0.00 53.44 52.68 3brw n ALA 353 Cb 0.56 -1.97 0.94 0.00 0.00 0.00 0.00 19.45 18.97 3brw n ALA 353 CO 0.00 0.00 0.00 -0.24 0.00 0.00 0.00 177.50 177.26 3brw h VAL 354 N 1.95 0.18 -3.32 0.00 3.04 -1.88 -3.42 116.25 112.80 3brw h VAL 354 Ca 0.10 0.00 -0.56 0.00 -1.01 0.00 0.00 66.70 65.23 3brw h VAL 354 Cb 1.00 0.82 -0.04 0.00 -2.01 0.00 0.00 31.29 31.06 3brw h VAL 354 CO 0.21 0.00 0.03 -0.36 -1.01 0.00 0.00 177.57 176.44 3brw s PHE 355 N -4.32 3.84 0.00 3.17 0.08 -1.26 -5.04 117.98 114.44 3brw s PHE 355 Ca -0.04 1.38 0.00 0.00 0.12 0.00 0.00 56.93 58.39 3brw s PHE 355 Cb 0.12 -2.58 0.00 0.00 -0.57 0.00 0.00 43.02 40.00 3brw s PHE 355 CO 0.42 0.57 0.00 0.54 -0.10 0.00 0.00 175.22 176.65 3brw n ARG 356 N 1.69 0.00 -2.94 0.44 1.74 -1.26 -4.41 116.66 111.92 3brw n ARG 356 Ca -0.09 0.00 -0.18 0.00 -0.77 0.00 0.00 57.85 56.81 3brw n ARG 356 Cb 0.50 0.00 0.02 0.00 -1.02 0.00 0.00 32.46 31.96 3brw n ARG 356 CO 0.00 0.00 0.00 1.17 -1.52 0.00 0.00 177.63 177.28 3brw n LYS 357 N 0.00 0.79 0.00 5.56 0.00 -1.26 -4.67 118.16 118.59 3brw n LYS 357 Ca 0.00 -2.52 0.00 0.00 0.00 0.00 0.00 58.31 55.79 3brw n LYS 357 Cb 0.00 0.08 0.00 0.00 0.00 0.00 0.00 35.03 35.11 3brw n LYS 357 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.40 177.81 3brw n GLY 358 N -0.21 -1.68 0.09 3.14 0.00 -1.26 -4.17 105.19 101.10 3brw n GLY 358 Ca 0.05 -1.82 0.13 0.00 0.00 0.00 0.00 46.02 44.38 3brw n GLY 358 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 3brw n PRO 359 N 0.00 0.27 -0.20 1.61 -0.04 -1.26 -4.16 135.00 131.22 3brw n PRO 359 Ca 0.00 0.18 -0.01 0.00 -0.04 0.00 0.00 63.50 63.62 3brw n PRO 359 Cb 0.00 -1.77 0.06 0.00 -0.04 0.00 0.00 33.50 31.75 3brw n PRO 359 CO 0.00 0.00 0.00 1.49 -0.04 0.00 0.00 175.50 176.95 3brw h GLU 360 N 0.00 0.00 0.00 0.54 4.57 -1.96 -3.03 114.58 114.70 3brw h GLU 360 Ca 0.00 -0.00 0.00 0.00 -1.18 0.00 0.00 59.36 58.18 3brw h GLU 360 Cb 0.74 -0.00 0.00 0.00 -0.16 0.00 0.00 28.75 29.33 3brw h GLU 360 CO 0.00 0.00 -0.65 0.35 -1.18 0.00 0.00 179.01 177.53 3brw h PHE 361 N 0.00 0.00 0.00 0.92 3.57 -1.73 -3.32 116.94 116.38 3brw h PHE 361 Ca 0.28 0.00 -0.03 0.00 3.53 0.00 0.00 57.97 61.76 3brw h PHE 361 Cb 0.43 0.00 -0.00 0.00 2.79 0.00 0.00 35.95 39.17 3brw h PHE 361 CO -0.49 0.00 -0.12 0.37 -2.23 0.00 0.00 178.31 175.84 3brw h GLN 362 N 0.00 0.00 -0.01 1.11 4.15 -1.73 -1.77 115.11 116.86 3brw h GLN 362 Ca 0.00 0.00 -0.04 0.00 0.77 0.00 0.00 58.65 59.38 3brw h GLN 362 Cb 0.95 0.00 0.00 0.00 0.21 0.00 0.00 27.48 28.64 3brw h GLN 362 CO 0.00 0.12 -0.16 1.49 -1.93 0.00 0.00 178.83 178.36 3brw h GLU 363 N 0.00 0.13 -0.46 1.69 4.81 -1.67 -3.13 114.58 115.95 3brw h GLU 363 Ca -0.00 -0.12 -0.03 0.00 -0.13 0.00 0.00 59.36 59.07 3brw h GLU 363 Cb 0.29 0.03 -0.02 0.00 0.63 0.00 0.00 28.75 29.68 3brw h GLU 363 CO 0.02 0.83 0.15 0.35 -0.73 0.00 0.00 179.01 179.63 3brw h PHE 364 N -0.52 0.67 0.47 0.92 3.04 -1.61 -2.90 116.94 117.02 3brw h PHE 364 Ca -0.02 -0.04 -0.02 0.00 3.98 0.00 0.00 57.97 61.87 3brw h PHE 364 Cb 0.87 -0.21 0.00 0.00 2.56 0.00 0.00 35.95 39.18 3brw h PHE 364 CO 0.17 0.55 -0.23 1.25 -2.02 0.00 0.00 178.31 178.03 3brw h LEU 365 N 0.66 -0.53 -0.96 0.59 5.85 -1.46 -3.18 115.31 116.28 3brw h LEU 365 Ca 0.16 0.01 0.10 0.00 0.84 0.00 0.00 57.88 58.98 3brw h LEU 365 Cb 0.18 0.14 -0.08 0.00 0.37 0.00 0.00 40.66 41.27 3brw h LEU 365 CO -0.01 -0.11 0.60 -0.07 -0.34 0.00 0.00 178.44 178.51 3brw h LEU 366 N -1.16 0.90 -1.05 2.25 3.38 -1.58 -0.48 115.31 117.57 3brw h LEU 366 Ca -0.06 0.04 0.03 0.00 0.09 0.00 0.00 57.88 57.97 3brw h LEU 366 Cb 0.50 -0.15 -0.05 0.00 0.09 0.00 0.00 40.66 41.04 3brw h LEU 366 CO 0.11 0.52 0.64 0.71 0.09 0.00 0.00 178.44 180.51 3brw h THR 367 N 1.00 1.19 -0.30 0.22 1.35 -1.64 -2.48 112.91 112.26 3brw h THR 367 Ca 0.45 -0.43 -0.16 0.00 -0.55 0.00 0.00 66.41 65.72 3brw h THR 367 Cb 0.35 -0.17 -0.00 0.00 -1.73 0.00 0.00 68.15 66.60 3brw h THR 367 CO -0.23 0.23 -0.46 0.50 -0.25 0.00 0.00 175.52 175.31 3brw h LYS 368 N 1.25 0.80 -0.25 4.72 1.63 -1.11 -2.69 116.57 120.93 3brw h LYS 368 Ca 0.38 -0.45 0.02 0.00 -0.85 0.00 0.00 60.65 59.74 3brw h LYS 368 Cb -0.05 0.03 -0.02 0.00 -0.60 0.00 0.00 32.23 31.59 3brw h LYS 368 CO -0.10 1.09 0.11 -0.07 -3.45 0.00 0.00 179.45 177.02 3brw h LEU 369 N 0.63 0.14 0.24 5.20 3.38 -0.91 0.12 115.31 124.12 3brw h LEU 369 Ca 0.04 0.02 -0.01 0.00 0.09 0.00 0.00 57.88 58.01 3brw h LEU 369 Cb 1.04 -0.01 0.00 0.00 0.09 0.00 0.00 40.66 41.78 3brw h LEU 369 CO 0.10 0.12 -0.11 0.40 0.09 0.00 0.00 178.44 179.03 3brw h ILE 370 N 0.23 0.83 -0.08 1.22 2.04 -1.49 -2.71 117.51 117.55 3brw h ILE 370 Ca 0.10 -0.52 0.02 0.00 1.00 0.00 0.00 64.86 65.46 3brw h ILE 370 Cb 0.05 1.13 -0.00 0.00 -0.74 0.00 0.00 36.82 37.25 3brw h ILE 370 CO -0.09 0.11 0.08 0.78 0.00 0.00 0.00 178.15 179.04 3brw h ASN 371 N -0.59 0.00 0.74 1.72 2.35 -1.42 -0.46 115.58 117.92 3brw h ASN 371 Ca -0.03 0.00 -0.03 0.00 -0.55 0.00 0.00 56.30 55.68 3brw h ASN 371 Cb 0.43 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.80 3brw h ASN 371 CO 0.05 0.00 -0.40 0.00 -1.65 0.00 0.00 177.43 175.43 3brw h ALA 372 N 1.91 -1.07 -1.00 -0.83 0.00 -0.49 -2.19 119.26 115.59 3brw h ALA 372 Ca 0.04 -0.22 0.09 0.00 0.00 0.00 0.00 54.91 54.82 3brw h ALA 372 Cb 0.21 0.47 -0.07 0.00 0.00 0.00 0.00 17.79 18.39 3brw h ALA 372 CO -0.00 -1.11 0.64 1.49 0.00 0.00 0.00 179.25 180.26 3brw h GLU 373 N -1.06 1.05 -0.68 0.00 4.81 -0.83 -2.33 114.58 115.54 3brw h GLU 373 Ca -0.10 -0.06 -0.03 0.00 -0.13 0.00 0.00 59.36 59.04 3brw h GLU 373 Cb 0.83 -0.24 -0.03 0.00 0.63 0.00 0.00 28.75 29.95 3brw h GLU 373 CO 0.13 0.69 0.31 1.88 -0.73 0.00 0.00 179.01 181.30 3brw h TYR 374 N 1.08 0.99 -0.84 0.92 0.05 -1.16 -2.42 116.97 115.59 3brw h TYR 374 Ca 0.46 -0.05 -0.01 0.00 0.05 0.00 0.00 58.73 59.17 3brw h TYR 374 Cb 0.32 -0.30 -0.04 0.00 1.01 0.00 0.00 36.73 37.72 3brw h TYR 374 CO -0.00 0.74 0.48 0.00 -1.05 0.00 0.00 178.16 178.33 3brw h ALA 375 N 1.14 1.07 -0.08 3.88 0.00 -0.88 -3.02 119.26 121.37 3brw h ALA 375 Ca 0.23 -0.11 0.02 0.00 0.00 0.00 0.00 54.91 55.05 3brw h ALA 375 Cb 0.14 -0.34 -0.00 0.00 0.00 0.00 0.00 17.79 17.59 3brw h ALA 375 CO -0.03 0.56 0.09 0.00 0.00 0.00 0.00 179.25 179.88 3brw h TYR 377 N 0.00 0.00 0.00 0.00 -1.99 -1.47 -1.91 116.97 111.60 3brw h TYR 377 Ca 0.04 0.00 -0.08 0.00 2.00 0.00 0.00 58.73 60.69 3brw h TYR 377 Cb 0.22 0.00 -0.01 0.00 2.00 0.00 0.00 36.73 38.94 3brw h TYR 377 CO 0.00 0.00 -0.36 -0.22 -0.00 0.00 0.00 178.16 177.58 3brw h LYS 378 N 0.00 0.00 -6.62 4.88 3.64 -1.63 -3.11 116.57 113.72 3brw h LYS 378 Ca 0.00 0.00 -0.55 0.00 -1.27 0.00 0.00 60.65 58.83 3brw h LYS 378 Cb 0.52 0.00 0.07 0.00 -0.41 0.00 0.00 32.23 32.41 3brw h LYS 378 CO 0.00 0.36 0.85 0.00 -2.27 0.00 0.00 179.45 178.39 3brw n ALA 379 N -2.19 2.03 -0.22 5.00 0.00 -0.72 -4.45 120.51 119.95 3brw n ALA 379 Ca 0.02 0.41 0.03 0.00 0.00 0.00 0.00 53.44 53.91 3brw n ALA 379 Cb 0.66 -2.42 0.08 0.00 0.00 0.00 0.00 19.45 17.78 3brw n ALA 379 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.50 175.59 3brw n GLU 380 N 3.14 -0.06 -0.23 0.00 4.07 -1.26 -0.50 120.64 125.80 3brw n GLU 380 Ca 0.14 0.95 0.01 0.00 -0.06 0.00 0.00 57.16 58.21 3brw n GLU 380 Cb 0.33 -1.42 0.13 0.00 -0.06 0.00 0.00 31.44 30.42 3brw n GLU 380 CO 0.00 0.00 0.00 0.87 -0.06 0.00 0.00 177.13 177.94 3brw h LYS 381 N 0.00 0.49 0.00 5.31 1.57 -1.92 -2.47 116.57 119.55 3brw h LYS 381 Ca 0.29 -0.03 -0.11 0.00 -1.87 0.00 0.00 60.65 58.93 3brw h LYS 381 Cb 0.44 -0.11 -0.02 0.00 0.08 0.00 0.00 32.23 32.62 3brw h LYS 381 CO -0.63 0.32 -1.06 0.74 -0.57 0.00 0.00 179.45 178.25 3brw h PHE 382 N 0.50 0.00 -0.56 -1.35 0.04 -1.04 -3.24 116.94 111.29 3brw h PHE 382 Ca 0.34 0.00 -0.04 0.00 2.80 0.00 0.00 57.97 61.07 3brw h PHE 382 Cb 0.41 0.00 -0.02 0.00 2.20 0.00 0.00 35.95 38.53 3brw h PHE 382 CO -0.14 0.42 0.19 0.00 -0.60 0.00 0.00 178.31 178.18 3brw h ALA 383 N 1.58 0.73 0.00 2.45 0.00 -0.93 -0.11 119.26 122.98 3brw h ALA 383 Ca -0.09 -0.18 0.00 0.00 0.00 0.00 0.00 54.91 54.64 3brw h ALA 383 Cb 1.39 -0.22 0.00 0.00 0.00 0.00 0.00 17.79 18.97 3brw h ALA 383 CO 0.04 0.38 -0.23 1.57 0.00 0.00 0.00 179.25 181.00 3brw h LYS 384 N 0.77 0.00 -0.05 0.00 2.10 -1.64 -2.82 116.57 114.94 3brw h LYS 384 Ca 0.18 0.00 -0.01 0.00 -2.00 0.00 0.00 60.65 58.82 3brw h LYS 384 Cb 0.25 0.00 -0.00 0.00 -0.90 0.00 0.00 32.23 31.58 3brw h LYS 384 CO -0.01 0.00 -0.02 1.25 -2.00 0.00 0.00 179.45 178.67 3brw h LEU 385 N 0.00 0.10 -0.48 7.07 6.46 -1.50 -3.30 115.31 123.66 3brw h LEU 385 Ca 0.00 -0.40 -0.02 0.00 -0.12 0.00 0.00 57.88 57.35 3brw h LEU 385 Cb 0.97 -0.03 -0.02 0.00 -0.73 0.00 0.00 40.66 40.85 3brw h LEU 385 CO 0.00 0.47 0.23 -0.33 -0.62 0.00 0.00 178.44 178.20 3brw h GLU 386 N -0.28 0.69 0.00 1.25 4.39 -1.06 0.18 114.58 119.75 3brw h GLU 386 Ca 0.01 -0.10 0.00 0.00 0.34 0.00 0.00 59.36 59.61 3brw h GLU 386 Cb 0.43 -0.13 0.00 0.00 -0.10 0.00 0.00 28.75 28.96 3brw h GLU 386 CO 0.01 0.58 0.00 0.39 -1.16 0.00 0.00 179.01 178.82 3brw n GLU 387 N -4.63 0.04 0.00 2.33 1.02 -1.06 0.02 120.64 118.36 3brw n GLU 387 Ca 0.02 0.02 0.00 0.00 -0.02 0.00 0.00 57.16 57.18 3brw n GLU 387 Cb 0.11 -1.50 0.00 0.00 -0.02 0.00 0.00 31.44 30.03 3brw n GLU 387 CO 0.00 0.00 0.00 -2.13 1.18 0.00 0.00 177.13 176.18 3brw n ARG 388 N -1.02 2.01 -0.19 3.49 0.63 -0.87 -3.98 116.66 116.73 3brw n ARG 388 Ca 0.01 0.00 -0.07 0.00 -0.92 0.00 0.00 57.85 56.87 3brw n ARG 388 Cb 0.01 -0.84 0.02 0.00 0.45 0.00 0.00 32.46 32.10 3brw n ARG 388 CO 0.00 0.00 0.00 1.15 -2.51 0.00 0.00 177.63 176.27 3brw h THR 389 N 0.00 1.19 -0.10 5.15 2.02 0.13 -2.12 112.91 119.18 3brw h THR 389 Ca 0.00 -0.49 -0.03 0.00 0.77 0.00 0.00 66.41 66.67 3brw h THR 389 Cb 0.68 0.53 -0.00 0.00 -1.74 0.00 0.00 68.15 67.61 3brw h THR 389 CO 0.00 0.20 -0.05 -0.09 0.37 0.00 0.00 175.52 175.95 3brw h ARG 390 N 0.72 0.20 -0.77 6.66 2.43 -0.66 -2.98 114.38 119.99 3brw h ARG 390 Ca 0.19 -0.09 0.16 0.00 -0.81 0.00 0.00 59.98 59.43 3brw h ARG 390 Cb 0.07 -0.01 -0.05 0.00 -0.42 0.00 0.00 29.97 29.56 3brw h ARG 390 CO -0.03 0.56 0.52 0.00 -1.51 0.00 0.00 179.97 179.51 3brw h ALA 391 N 0.63 2.16 0.01 2.80 0.00 -1.67 0.46 119.26 123.65 3brw h ALA 391 Ca 0.02 0.00 -0.26 0.00 0.00 0.00 0.00 54.91 54.67 3brw h ALA 391 Cb 0.50 -0.05 0.02 0.00 0.00 0.00 0.00 17.79 18.26 3brw h ALA 391 CO 0.01 -0.37 -1.03 0.00 0.00 0.00 0.00 179.25 177.86 3brw h ALA 392 N 1.64 0.18 -0.23 0.00 0.00 -1.39 -2.85 119.26 116.61 3brw h ALA 392 Ca 0.38 -0.71 -0.11 0.00 0.00 0.00 0.00 54.91 54.47 3brw h ALA 392 Cb 0.92 0.04 -0.00 0.00 0.00 0.00 0.00 17.79 18.75 3brw h ALA 392 CO -0.12 0.72 -0.29 -0.07 0.00 0.00 0.00 179.25 179.49 3brw h LEU 393 N 0.35 0.66 -1.81 0.00 3.38 -1.02 -2.41 115.31 114.46 3brw h LEU 393 Ca -0.12 -0.50 -0.03 0.00 0.09 0.00 0.00 57.88 57.33 3brw h LEU 393 Cb 1.68 -0.19 -0.00 0.00 0.09 0.00 0.00 40.66 42.24 3brw h LEU 393 CO 0.20 1.02 -0.13 0.25 0.09 0.00 0.00 178.44 179.87 3brw h LEU 394 N 0.31 0.00 -0.01 1.67 5.85 -1.08 -0.80 115.31 121.25 3brw h LEU 394 Ca 0.03 0.00 -0.08 0.00 0.84 0.00 0.00 57.88 58.67 3brw h LEU 394 Cb 0.86 0.00 0.01 0.00 0.37 0.00 0.00 40.66 41.90 3brw h LEU 394 CO 0.07 0.13 -0.31 -0.08 -0.34 0.00 0.00 178.44 177.91 3brw h GLU 395 N 0.00 0.23 -0.05 1.25 4.22 -1.30 -2.28 114.58 116.65 3brw h GLU 395 Ca -0.00 -0.23 -0.12 0.00 0.08 0.00 0.00 59.36 59.08 3brw h GLU 395 Cb 0.39 0.06 -0.01 0.00 0.50 0.00 0.00 28.75 29.69 3brw h GLU 395 CO 0.02 0.94 -0.53 1.79 -2.18 0.00 0.00 179.01 179.04 3brw h THR 396 N -0.38 1.37 0.02 0.32 1.35 -1.31 -2.88 112.91 111.40 3brw h THR 396 Ca -0.03 -1.82 -0.00 0.00 -0.55 0.00 0.00 66.41 64.00 3brw h THR 396 Cb 1.03 1.93 0.00 0.00 -1.73 0.00 0.00 68.15 69.38 3brw h THR 396 CO 0.06 0.53 -0.01 0.25 -0.25 0.00 0.00 175.52 176.10 3brw h LEU 397 N 0.11 -0.02 -0.33 3.87 5.85 -1.22 -2.42 115.31 121.15 3brw h LEU 397 Ca 0.00 -0.29 0.07 0.00 0.84 0.00 0.00 57.88 58.51 3brw h LEU 397 Cb 0.98 0.01 -0.08 0.00 0.37 0.00 0.00 40.66 41.93 3brw h LEU 397 CO 0.08 0.28 -0.28 0.22 -0.34 0.00 0.00 178.44 178.40 3brw h TYR 398 N -0.32 -0.75 -0.14 1.25 5.03 -1.41 -1.83 116.97 118.80 3brw h TYR 398 Ca -0.00 0.05 0.04 0.00 2.58 0.00 0.00 58.73 61.39 3brw h TYR 398 Cb 0.31 0.38 -0.04 0.00 1.55 0.00 0.00 36.73 38.92 3brw h TYR 398 CO 0.03 -0.35 -0.11 0.93 -1.32 0.00 0.00 178.16 177.34 3brw h GLU 399 N -0.24 -0.12 -0.89 1.82 4.39 -1.51 -1.34 114.58 116.69 3brw h GLU 399 Ca 0.16 0.01 0.10 0.00 0.34 0.00 0.00 59.36 59.97 3brw h GLU 399 Cb 0.50 0.03 -0.08 0.00 -0.10 0.00 0.00 28.75 29.10 3brw h GLU 399 CO -0.47 -0.08 0.53 0.93 -1.16 0.00 0.00 179.01 178.76 3brw h GLU 400 N -0.12 0.85 -0.32 2.33 4.39 -0.97 0.22 114.58 120.96 3brw h GLU 400 Ca 0.09 -0.05 -0.14 0.00 0.34 0.00 0.00 59.36 59.60 3brw h GLU 400 Cb 0.26 -0.19 -0.00 0.00 -0.10 0.00 0.00 28.75 28.71 3brw h GLU 400 CO -0.22 0.56 -0.33 -0.07 -1.16 0.00 0.00 179.01 177.79 3brw h LEU 401 N 0.87 0.85 0.05 1.33 3.38 -1.01 -2.73 115.31 118.05 3brw h LEU 401 Ca 0.43 -0.47 -0.00 0.00 0.09 0.00 0.00 57.88 57.92 3brw h LEU 401 Cb 0.39 -0.24 0.00 0.00 0.09 0.00 0.00 40.66 40.90 3brw h LEU 401 CO -0.25 1.15 -0.03 -0.74 0.09 0.00 0.00 178.44 178.66 3brw h HIS 402 N 0.56 -0.06 -0.24 1.13 2.76 -0.43 -2.21 115.15 116.65 3brw h HIS 402 Ca 0.05 -0.00 0.01 0.00 -2.20 0.00 0.00 60.37 58.23 3brw h HIS 402 Cb 0.91 0.02 -0.02 0.00 1.55 0.00 0.00 27.41 29.88 3brw h HIS 402 CO 0.07 0.26 0.13 0.82 -1.30 0.00 0.00 177.93 177.92 3brw h ILE 403 N -0.40 1.01 0.00 6.26 1.08 -0.70 -1.17 117.51 123.60 3brw h ILE 403 Ca -0.01 -0.09 0.00 0.00 -0.39 0.00 0.00 64.86 64.37 3brw h ILE 403 Cb 0.36 0.71 0.00 0.00 -3.07 0.00 0.00 36.82 34.82 3brw h ILE 403 CO 0.01 0.05 0.00 0.45 -0.69 0.00 0.00 178.15 177.97 3brw h HIS 404 N 0.28 0.00 0.03 1.37 3.86 -1.52 -2.58 115.15 116.59 3brw h HIS 404 Ca 0.10 0.00 -0.29 0.00 -1.16 0.00 0.00 60.37 59.02 3brw h HIS 404 Cb 0.01 0.00 -0.04 0.00 1.06 0.00 0.00 27.41 28.44 3brw h HIS 404 CO -0.09 0.00 -1.61 0.77 0.86 0.00 0.00 177.93 177.86 3brw h SER 405 N 0.00 0.11 -0.61 2.45 0.02 -1.14 -3.04 113.55 111.34 3brw h SER 405 Ca 0.00 -0.20 0.09 0.00 -0.84 0.00 0.00 61.79 60.84 3brw h SER 405 Cb 0.58 -0.04 -0.07 0.00 0.14 0.00 0.00 62.40 63.02 3brw h SER 405 CO 0.00 1.18 0.24 1.56 -1.14 0.00 0.00 176.83 178.67 3brw h GLN 406 N 0.02 0.42 -0.29 3.45 1.08 -0.87 -2.86 115.11 116.06 3brw h GLN 406 Ca -0.26 -0.03 -0.18 0.00 -1.45 0.00 0.00 58.65 56.74 3brw h GLN 406 Cb 1.98 -0.10 -0.00 0.00 -0.05 0.00 0.00 27.48 29.32 3brw h GLN 406 CO 0.10 0.28 -0.54 0.66 -0.95 0.00 0.00 178.83 178.38 3brw h SER 407 N 0.44 0.96 -0.25 1.46 4.64 -1.58 -2.71 113.55 116.50 3brw h SER 407 Ca 0.30 -0.51 0.07 0.00 -0.47 0.00 0.00 61.79 61.19 3brw h SER 407 Cb 0.36 -0.28 -0.01 0.00 -0.31 0.00 0.00 62.40 62.16 3brw h SER 407 CO -0.29 1.31 0.20 -0.03 -0.87 0.00 0.00 176.83 177.14 3brw h MET 408 N 0.67 0.00 0.00 4.77 -1.53 -1.38 -2.80 114.93 114.66 3brw h MET 408 Ca 0.02 0.00 -0.02 0.00 -3.44 0.00 0.00 59.70 56.25 3brw h MET 408 Cb 1.14 0.00 -0.00 0.00 -0.55 0.00 0.00 31.60 32.19 3brw h MET 408 CO 0.12 0.00 -0.21 0.52 0.14 0.00 0.00 176.91 177.48 3brw h MET 409 N 0.00 0.00 0.00 0.39 2.07 -1.44 -3.50 114.93 112.45 3brw h MET 409 Ca 0.12 0.00 0.00 0.00 -2.07 0.00 0.00 59.70 57.75 3brw h MET 409 Cb 0.51 0.00 0.00 0.00 -1.87 0.00 0.00 31.60 30.24 3brw h MET 409 CO -0.00 0.40 0.00 0.41 1.07 0.00 0.00 176.91 178.79 3brw n GLY 410 N 1.67 1.70 0.34 8.32 0.00 -1.03 -5.12 105.19 111.08 3brw n GLY 410 Ca -0.07 0.21 -0.17 0.00 0.00 0.00 0.00 46.02 45.99 3brw n GLY 410 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 3brw n LEU 411 N 0.00 1.58 -3.62 0.99 7.99 -1.25 -4.87 117.00 117.83 3brw n LEU 411 Ca 0.00 0.27 -0.09 0.00 -0.01 0.00 0.00 56.01 56.18 3brw n LEU 411 Cb 0.00 -0.63 -0.02 0.00 -0.11 0.00 0.00 43.42 42.66 3brw n LEU 411 CO 0.00 0.12 0.48 -0.83 -1.51 0.00 0.00 177.39 175.65 3brw s GLY 412 N -5.11 -0.38 0.00 -0.72 0.00 -1.26 -5.11 107.32 94.74 3brw s GLY 412 Ca -0.27 0.22 0.29 0.00 0.00 0.00 0.00 44.72 44.97 3brw s GLY 412 CO 0.35 0.07 1.90 0.61 0.00 0.00 0.00 173.10 176.03