#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2pw3 h GLU 89 N 0.00 0.00 0.16 3.69 5.08 -1.99 0.86 114.58 122.38 2pw3 h GLU 89 Ca 0.00 0.00 -0.29 0.00 -1.00 0.00 0.00 59.36 58.07 2pw3 h GLU 89 Cb 0.00 0.00 0.01 0.00 0.50 0.00 0.00 28.75 29.26 2pw3 h GLU 89 CO 0.00 0.00 -1.31 -0.44 -1.00 0.00 0.00 179.01 176.26 2pw3 h ASP 90 N 0.00 0.54 -0.13 1.42 3.32 -1.98 -2.54 116.42 117.05 2pw3 h ASP 90 Ca 0.03 -0.58 -0.07 0.00 0.02 0.00 0.00 57.03 56.42 2pw3 h ASP 90 Cb 0.31 -0.18 -0.00 0.00 0.22 0.00 0.00 39.33 39.69 2pw3 h ASP 90 CO -0.00 1.46 -0.21 0.58 -1.72 0.00 0.00 179.24 179.35 2pw3 h VAL 91 N 0.09 1.37 -0.56 -1.35 2.07 -1.35 -2.47 116.25 114.06 2pw3 h VAL 91 Ca -0.17 -1.45 0.03 0.00 0.82 0.00 0.00 66.70 65.93 2pw3 h VAL 91 Cb 2.03 2.02 -0.04 0.00 -1.52 0.00 0.00 31.29 33.78 2pw3 h VAL 91 CO 0.22 0.43 0.33 0.25 0.02 0.00 0.00 177.57 178.82 2pw3 h LEU 92 N -0.04 0.53 -1.27 2.57 5.85 -1.15 -0.61 115.31 121.18 2pw3 h LEU 92 Ca 0.01 0.01 0.02 0.00 0.84 0.00 0.00 57.88 58.76 2pw3 h LEU 92 Cb 0.78 -0.10 -0.04 0.00 0.37 0.00 0.00 40.66 41.67 2pw3 h LEU 92 CO 0.05 0.37 0.50 0.00 -0.34 0.00 0.00 178.44 179.01 2pw3 h ALA 93 N 1.26 1.50 -0.24 1.25 0.00 -1.43 -1.21 119.26 120.38 2pw3 h ALA 93 Ca 0.23 -0.05 -0.19 0.00 0.00 0.00 0.00 54.91 54.91 2pw3 h ALA 93 Cb 0.05 -0.29 0.00 0.00 0.00 0.00 0.00 17.79 17.55 2pw3 h ALA 93 CO -0.11 0.45 -0.57 -0.22 0.00 0.00 0.00 179.25 178.80 2pw3 h LYS 94 N 0.98 0.81 -0.52 0.00 3.64 -0.86 -3.08 116.57 117.55 2pw3 h LYS 94 Ca 0.28 -0.55 -0.06 0.00 -1.27 0.00 0.00 60.65 59.06 2pw3 h LYS 94 Cb -0.06 0.08 -0.02 0.00 -0.41 0.00 0.00 32.23 31.82 2pw3 h LYS 94 CO -0.07 1.18 0.10 0.93 -2.27 0.00 0.00 179.45 179.31 2pw3 h GLU 95 N 0.56 0.80 0.00 1.90 4.39 -0.70 -1.79 114.58 119.74 2pw3 h GLU 95 Ca -0.00 -0.17 0.00 0.00 0.34 0.00 0.00 59.36 59.52 2pw3 h GLU 95 Cb 1.19 -0.12 0.00 0.00 -0.10 0.00 0.00 28.75 29.72 2pw3 h GLU 95 CO 0.13 0.75 0.00 1.28 -1.16 0.00 0.00 179.01 180.00 2pw3 n LEU 96 N -4.26 0.13 0.26 1.33 4.77 -0.50 -2.48 117.00 116.24 2pw3 n LEU 96 Ca 0.03 0.53 0.17 0.00 -0.03 0.00 0.00 56.01 56.72 2pw3 n LEU 96 Cb 0.24 -0.51 0.77 0.00 -2.33 0.00 0.00 43.42 41.59 2pw3 n LEU 96 CO 0.40 -0.31 1.00 -0.33 -1.33 0.00 0.00 177.39 176.83 2pw3 h GLU 97 N 0.00 0.00 -0.62 3.23 5.08 -1.23 -1.95 114.58 119.09 2pw3 h GLU 97 Ca 0.00 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 2pw3 h GLU 97 Cb 0.27 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.52 2pw3 h GLU 97 CO 0.00 0.00 0.00 -0.25 -1.00 0.00 0.00 179.01 177.76 2pw3 n ASP 98 N -2.88 5.31 0.08 1.42 8.00 -1.04 -4.54 116.55 122.91 2pw3 n ASP 98 Ca -0.00 -2.79 0.21 0.00 0.71 0.00 0.00 54.79 52.91 2pw3 n ASP 98 Cb 0.22 -0.66 0.74 0.00 -0.02 0.00 0.00 41.12 41.40 2pw3 n ASP 98 CO 0.00 0.00 0.00 1.62 -0.39 0.00 0.00 177.20 178.43 2pw3 h VAL 99 N 3.80 0.39 -0.31 2.53 3.04 -1.55 0.36 116.25 124.51 2pw3 h VAL 99 Ca 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 66.70 65.69 2pw3 h VAL 99 Cb 1.81 0.64 0.00 0.00 -2.01 0.00 0.00 31.29 31.73 2pw3 h VAL 99 CO 0.42 0.00 0.00 0.59 -1.01 0.00 0.00 177.57 177.57 2pw3 n ASN 100 N -3.74 2.33 -4.64 3.17 3.02 -1.26 -4.81 115.26 109.33 2pw3 n ASN 100 Ca 0.08 -1.86 -0.35 0.00 -0.03 0.00 0.00 54.58 52.42 2pw3 n ASN 100 Cb 0.64 -0.20 -0.10 0.00 -0.61 0.00 0.00 39.78 39.51 2pw3 n ASN 100 CO 0.00 0.00 0.00 -0.54 -2.62 0.00 0.00 177.26 174.10 2pw3 s LYS 101 N -1.60 3.01 -0.21 3.52 1.02 0.13 -4.90 119.74 120.71 2pw3 s LYS 101 Ca 0.33 -0.45 -0.29 0.00 0.02 0.00 0.00 55.97 55.58 2pw3 s LYS 101 Cb 0.18 -2.76 -0.01 0.00 -0.52 0.00 0.00 37.83 34.72 2pw3 s LYS 101 CO 0.26 0.64 1.34 -0.46 -0.92 0.00 0.00 175.35 176.21 2pw3 s TRP 102 N -0.71 2.65 0.00 3.18 -0.11 -1.26 -2.90 118.94 119.79 2pw3 s TRP 102 Ca 0.11 0.85 0.00 0.00 1.22 0.00 0.00 56.10 58.28 2pw3 s TRP 102 Cb -0.12 -3.72 0.00 0.00 -1.50 0.00 0.00 33.47 28.14 2pw3 s TRP 102 CO 0.02 -1.99 0.00 0.41 -4.62 0.00 0.00 176.95 170.77 2pw3 n GLY 103 N 4.00 1.54 3.54 5.86 0.00 -1.26 -4.93 105.19 113.93 2pw3 n GLY 103 Ca 0.15 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.75 2pw3 n GLY 103 CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22 2pw3 n LEU 104 N 0.00 1.44 -3.67 0.99 7.94 -1.14 -4.79 117.00 117.77 2pw3 n LEU 104 Ca 0.00 1.00 -0.42 0.00 -1.11 0.00 0.00 56.01 55.49 2pw3 n LEU 104 Cb 0.00 -1.24 -0.00 0.00 0.53 0.00 0.00 43.42 42.70 2pw3 n LEU 104 CO 0.00 -2.05 2.78 1.41 -1.11 0.00 0.00 177.39 178.43 2pw3 n HIS 105 N -0.56 3.37 -0.03 1.96 8.25 -1.26 -4.73 115.22 122.23 2pw3 n HIS 105 Ca 0.11 -2.99 0.06 0.00 -0.26 0.00 0.00 57.72 54.64 2pw3 n HIS 105 Cb 0.38 -2.54 0.44 0.00 1.12 0.00 0.00 29.99 29.39 2pw3 n HIS 105 CO 0.00 0.00 0.00 -0.24 0.64 0.00 0.00 176.34 176.74 2pw3 h VAL 106 N 3.87 1.04 -0.23 1.59 3.04 -1.98 -1.06 116.25 122.52 2pw3 h VAL 106 Ca 0.61 -0.18 -0.15 0.00 -1.01 0.00 0.00 66.70 65.97 2pw3 h VAL 106 Cb 0.59 0.47 -0.01 0.00 -2.01 0.00 0.00 31.29 30.34 2pw3 h VAL 106 CO 1.88 0.10 -0.48 -0.26 -1.01 0.00 0.00 177.57 177.80 2pw3 h PHE 107 N 0.52 0.75 -0.44 3.17 0.04 -1.97 -1.10 116.94 117.91 2pw3 h PHE 107 Ca 0.19 -0.24 -0.08 0.00 2.80 0.00 0.00 57.97 60.64 2pw3 h PHE 107 Cb 0.12 -0.15 -0.02 0.00 2.20 0.00 0.00 35.95 38.11 2pw3 h PHE 107 CO -0.00 0.97 -0.03 0.00 -0.60 0.00 0.00 178.31 178.65 2pw3 h ARG 108 N 0.49 0.81 -0.79 1.51 2.47 -1.74 -2.40 114.38 114.72 2pw3 h ARG 108 Ca 0.03 -0.27 -0.03 0.00 -1.26 0.00 0.00 59.98 58.44 2pw3 h ARG 108 Cb 1.01 -0.06 -0.04 0.00 -1.65 0.00 0.00 29.97 29.23 2pw3 h ARG 108 CO 0.09 0.89 0.38 0.82 0.56 0.00 0.00 179.97 182.72 2pw3 h ILE 109 N 0.65 1.25 -0.48 2.04 2.04 -1.07 0.52 117.51 122.45 2pw3 h ILE 109 Ca 0.12 -0.68 -0.05 0.00 1.00 0.00 0.00 64.86 65.25 2pw3 h ILE 109 Cb 0.54 0.23 -0.02 0.00 -0.74 0.00 0.00 36.82 36.83 2pw3 h ILE 109 CO 0.03 0.29 0.10 0.00 0.00 0.00 0.00 178.15 178.57 2pw3 h ALA 110 N 1.30 1.27 0.00 1.87 0.00 -1.00 -1.55 119.26 121.15 2pw3 h ALA 110 Ca 0.27 -0.20 -0.00 0.00 0.00 0.00 0.00 54.91 54.98 2pw3 h ALA 110 Cb 0.10 -0.20 0.00 0.00 0.00 0.00 0.00 17.79 17.70 2pw3 h ALA 110 CO -0.04 0.51 -0.00 0.93 0.00 0.00 0.00 179.25 180.65 2pw3 h GLU 111 N 0.71 -0.00 0.00 0.00 5.08 -0.88 0.49 114.58 119.98 2pw3 h GLU 111 Ca 0.16 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.52 2pw3 h GLU 111 Cb 0.29 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.54 2pw3 h GLU 111 CO 0.00 0.62 0.00 1.28 -1.00 0.00 0.00 179.01 179.91 2pw3 n LEU 112 N -4.79 0.00 -0.54 1.33 4.77 0.11 -2.57 117.00 115.31 2pw3 n LEU 112 Ca -0.09 0.47 0.05 0.00 -0.03 0.00 0.00 56.01 56.41 2pw3 n LEU 112 Cb 0.31 -0.47 0.12 0.00 -2.33 0.00 0.00 43.42 41.05 2pw3 n LEU 112 CO 0.34 -0.29 0.59 -1.54 -1.33 0.00 0.00 177.39 175.15 2pw3 n SER 113 N -1.47 2.68 -1.70 -1.43 3.41 -0.59 -4.82 113.62 109.69 2pw3 n SER 113 Ca 0.03 -1.92 -0.10 0.00 -0.26 0.00 0.00 58.87 56.62 2pw3 n SER 113 Cb 0.13 -0.18 0.03 0.00 -0.26 0.00 0.00 64.21 63.93 2pw3 n SER 113 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2pw3 n GLY 114 N 0.42 0.24 3.27 5.00 0.00 -1.06 -3.40 105.19 109.67 2pw3 n GLY 114 Ca 0.10 -0.31 -0.17 0.00 0.00 0.00 0.00 46.02 45.64 2pw3 n GLY 114 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 2pw3 n ASN 115 N -0.34 -2.65 -2.49 1.61 5.15 0.17 -4.96 115.26 111.76 2pw3 n ASN 115 Ca -0.02 -0.56 -0.16 0.00 -0.60 0.00 0.00 54.58 53.25 2pw3 n ASN 115 Cb 0.54 -4.76 0.02 0.00 -0.53 0.00 0.00 39.78 35.05 2pw3 n ASN 115 CO 0.00 0.00 0.00 0.54 1.40 0.00 0.00 177.26 179.20 2pw3 n ARG 116 N -4.01 2.53 -0.30 1.20 5.12 -1.22 -4.90 116.66 115.08 2pw3 n ARG 116 Ca -0.23 -3.88 -0.03 0.00 -1.93 0.00 0.00 57.85 51.78 2pw3 n ARG 116 Cb 0.64 -1.86 0.12 0.00 -1.16 0.00 0.00 32.46 30.19 2pw3 n ARG 116 CO 0.00 0.00 0.00 -1.00 -1.93 0.00 0.00 177.63 174.70 2pw3 h PRO 117 N 2.58 1.19 -0.27 5.56 0.13 -1.82 -1.94 132.00 137.43 2pw3 h PRO 117 Ca 0.12 -0.14 -0.01 0.00 -0.87 0.00 0.00 66.00 65.10 2pw3 h PRO 117 Cb 1.23 -0.23 -0.01 0.00 0.13 0.00 0.00 31.00 32.11 2pw3 h PRO 117 CO 0.58 0.88 0.13 1.25 -0.23 0.00 0.00 178.00 180.61 2pw3 h LEU 118 N 1.20 0.35 0.17 1.56 5.85 -1.91 -0.22 115.31 122.30 2pw3 h LEU 118 Ca 0.30 -0.12 -0.01 0.00 0.84 0.00 0.00 57.88 58.89 2pw3 h LEU 118 Cb 0.03 -0.09 0.00 0.00 0.37 0.00 0.00 40.66 40.98 2pw3 h LEU 118 CO -0.05 0.38 -0.08 0.74 -0.34 0.00 0.00 178.44 179.09 2pw3 h THR 119 N 0.30 0.93 -0.54 1.05 2.02 -1.79 -0.14 112.91 114.73 2pw3 h THR 119 Ca 0.09 -0.46 -0.09 0.00 0.77 0.00 0.00 66.41 66.73 2pw3 h THR 119 Cb 0.12 1.21 -0.02 0.00 -1.74 0.00 0.00 68.15 67.72 2pw3 h THR 119 CO -0.01 0.11 -0.01 -0.37 0.37 0.00 0.00 175.52 175.61 2pw3 h VAL 120 N -0.44 1.26 -0.23 3.16 -1.51 -1.37 -0.86 116.25 116.25 2pw3 h VAL 120 Ca -0.02 -1.10 -0.17 0.00 -1.23 0.00 0.00 66.70 64.18 2pw3 h VAL 120 Cb 0.35 0.85 0.00 0.00 -2.13 0.00 0.00 31.29 30.35 2pw3 h VAL 120 CO 0.04 0.39 -0.51 0.40 -1.23 0.00 0.00 177.57 176.66 2pw3 h ILE 121 N 0.86 1.30 -0.45 7.19 2.04 -1.04 -0.95 117.51 126.47 2pw3 h ILE 121 Ca 0.16 -1.72 -0.04 0.00 1.00 0.00 0.00 64.86 64.26 2pw3 h ILE 121 Cb 0.52 1.78 -0.02 0.00 -0.74 0.00 0.00 36.82 38.36 2pw3 h ILE 121 CO 0.03 0.55 0.13 0.24 0.00 0.00 0.00 178.15 179.10 2pw3 h MET 122 N 0.49 0.70 0.01 2.37 2.86 -0.95 -0.74 114.93 119.67 2pw3 h MET 122 Ca 0.00 -0.15 -0.00 0.00 -2.06 0.00 0.00 59.70 57.49 2pw3 h MET 122 Cb 1.12 -0.10 0.00 0.00 0.06 0.00 0.00 31.60 32.68 2pw3 h MET 122 CO 0.11 0.68 -0.00 1.25 1.06 0.00 0.00 176.91 180.01 2pw3 h HIS 123 N 0.58 -0.01 -0.56 -0.22 -0.00 -1.13 0.49 115.15 114.30 2pw3 h HIS 123 Ca 0.14 -0.00 0.07 0.00 -0.00 0.00 0.00 60.37 60.58 2pw3 h HIS 123 Cb 0.28 0.00 -0.06 0.00 -0.00 0.00 0.00 27.41 27.64 2pw3 h HIS 123 CO 0.01 0.02 0.25 1.15 -0.00 0.00 0.00 177.93 179.37 2pw3 h THR 124 N -0.04 0.88 -0.67 6.26 2.02 -1.03 -0.33 112.91 120.00 2pw3 h THR 124 Ca -0.00 -0.16 -0.08 0.00 0.77 0.00 0.00 66.41 66.94 2pw3 h THR 124 Cb 0.04 0.36 -0.03 0.00 -1.74 0.00 0.00 68.15 66.78 2pw3 h THR 124 CO 0.00 0.09 0.12 0.40 0.37 0.00 0.00 175.52 176.50 2pw3 h ILE 125 N 0.47 1.26 -0.59 3.11 2.04 -0.83 0.49 117.51 123.46 2pw3 h ILE 125 Ca 0.26 -1.02 -0.08 0.00 1.00 0.00 0.00 64.86 65.03 2pw3 h ILE 125 Cb 0.24 0.61 -0.02 0.00 -0.74 0.00 0.00 36.82 36.91 2pw3 h ILE 125 CO -0.22 0.38 0.07 -0.26 0.00 0.00 0.00 178.15 178.12 2pw3 h PHE 126 N 1.03 1.03 -0.29 1.37 -1.00 -0.22 -0.77 116.94 118.10 2pw3 h PHE 126 Ca 0.21 -0.14 -0.16 0.00 2.81 0.00 0.00 57.97 60.69 2pw3 h PHE 126 Cb 0.42 -0.28 -0.01 0.00 3.61 0.00 0.00 35.95 39.69 2pw3 h PHE 126 CO 0.03 0.89 -0.46 1.96 -1.61 0.00 0.00 178.31 179.12 2pw3 h GLN 127 N 0.91 0.75 -0.35 1.51 4.20 -0.81 0.11 115.11 121.44 2pw3 h GLN 127 Ca 0.18 -0.43 -0.06 0.00 0.06 0.00 0.00 58.65 58.41 2pw3 h GLN 127 Cb 0.44 0.03 -0.02 0.00 0.30 0.00 0.00 27.48 28.23 2pw3 h GLN 127 CO 0.01 1.05 -0.02 1.49 -0.67 0.00 0.00 178.83 180.70 2pw3 h GLU 128 N 0.60 0.55 -0.43 1.46 4.57 -0.54 -2.52 114.58 118.27 2pw3 h GLU 128 Ca 0.03 -0.13 0.00 0.00 -1.18 0.00 0.00 59.36 58.09 2pw3 h GLU 128 Cb 1.03 -0.07 0.00 0.00 -0.16 0.00 0.00 28.75 29.54 2pw3 h GLU 128 CO 0.10 0.59 0.00 0.54 -1.18 0.00 0.00 179.01 179.06 2pw3 n ARG 129 N -4.26 2.46 -3.95 1.92 1.74 -0.33 -4.96 116.66 109.29 2pw3 n ARG 129 Ca 0.01 -2.22 -0.31 0.00 -0.77 0.00 0.00 57.85 54.56 2pw3 n ARG 129 Cb 0.26 -1.51 0.02 0.00 -1.02 0.00 0.00 32.46 30.21 2pw3 n ARG 129 CO 0.00 0.00 0.00 -0.25 -1.52 0.00 0.00 177.63 175.86 2pw3 n ASP 130 N 1.40 -4.57 0.18 0.55 9.92 -0.34 -4.88 116.55 118.81 2pw3 n ASP 130 Ca 0.20 -0.81 0.06 0.00 -0.53 0.00 0.00 54.79 53.71 2pw3 n ASP 130 Cb 0.58 -3.75 0.19 0.00 -0.64 0.00 0.00 41.12 37.50 2pw3 n ASP 130 CO 0.00 0.00 0.00 -0.07 0.13 0.00 0.00 177.20 177.26 2pw3 h LEU 131 N -2.02 0.00 -0.25 0.64 3.38 -1.14 -2.57 115.31 113.35 2pw3 h LEU 131 Ca -0.58 0.00 -0.10 0.00 0.09 0.00 0.00 57.88 57.29 2pw3 h LEU 131 Cb 1.38 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 42.12 2pw3 h LEU 131 CO 0.68 0.35 -0.23 -0.07 0.09 0.00 0.00 178.44 179.26 2pw3 h LEU 132 N 0.00 0.63 -0.12 1.67 4.07 -1.87 -2.05 115.31 117.63 2pw3 h LEU 132 Ca -0.00 -0.47 -0.18 0.00 0.08 0.00 0.00 57.88 57.31 2pw3 h LEU 132 Cb 1.12 -0.18 0.01 0.00 1.08 0.00 0.00 40.66 42.69 2pw3 h LEU 132 CO 0.05 0.96 -0.61 0.50 -1.08 0.00 0.00 178.44 178.26 2pw3 h LYS 133 N 0.30 0.63 -0.52 1.13 3.64 -1.86 0.55 116.57 120.43 2pw3 h LYS 133 Ca 0.04 -0.51 0.02 0.00 -1.27 0.00 0.00 60.65 58.93 2pw3 h LYS 133 Cb 0.78 0.11 -0.03 0.00 -0.41 0.00 0.00 32.23 32.67 2pw3 h LYS 133 CO 0.06 1.13 0.31 1.15 -2.27 0.00 0.00 179.45 179.83 2pw3 h THR 134 N 0.28 1.05 -0.43 1.00 2.02 -1.49 -2.84 112.91 112.49 2pw3 h THR 134 Ca -0.04 -0.21 -0.03 0.00 0.77 0.00 0.00 66.41 66.90 2pw3 h THR 134 Cb 1.25 0.38 -0.02 0.00 -1.74 0.00 0.00 68.15 68.03 2pw3 h THR 134 CO 0.13 0.11 0.02 0.49 0.37 0.00 0.00 175.52 176.64 2pw3 n PHE 135 N -4.80 1.55 -4.10 3.16 3.72 -0.77 -4.97 117.46 111.25 2pw3 n PHE 135 Ca 0.04 -0.88 -0.36 0.00 -0.05 0.00 0.00 57.45 56.20 2pw3 n PHE 135 Cb 0.08 -0.44 -0.03 0.00 -0.94 0.00 0.00 39.48 38.15 2pw3 n PHE 135 CO 0.00 0.00 0.00 1.63 -0.05 0.00 0.00 176.76 178.34 2pw3 n LYS 136 N -0.06 -1.12 -3.26 -1.08 5.02 -0.41 -4.59 118.16 112.67 2pw3 n LYS 136 Ca 0.26 0.18 -0.43 0.00 -2.02 0.00 0.00 58.31 56.30 2pw3 n LYS 136 Cb 1.07 -3.42 -0.08 0.00 -0.02 0.00 0.00 35.03 32.58 2pw3 n LYS 136 CO 0.00 0.00 0.00 0.42 -0.52 0.00 0.00 177.40 177.30 2pw3 s ILE 137 N -3.90 5.01 0.11 -0.18 1.01 0.18 -4.70 121.20 118.72 2pw3 s ILE 137 Ca 0.23 -0.24 -0.34 0.00 0.00 0.00 0.00 60.65 60.30 2pw3 s ILE 137 Cb -0.12 -4.10 -0.13 0.00 0.01 0.00 0.00 42.46 38.12 2pw3 s ILE 137 CO 0.96 -0.49 1.64 -2.65 0.00 0.00 0.00 174.94 174.39 2pw3 n PRO 138 N 5.80 2.17 -0.29 2.79 -0.02 -1.26 -4.77 135.00 139.42 2pw3 n PRO 138 Ca -0.06 0.79 0.08 0.00 -2.02 0.00 0.00 63.50 62.29 2pw3 n PRO 138 Cb 0.47 -2.57 0.23 0.00 -0.02 0.00 0.00 33.50 31.61 2pw3 n PRO 138 CO 0.00 0.00 0.00 -0.24 1.98 0.00 0.00 175.50 177.24 2pw3 h VAL 139 N 3.98 0.64 -0.14 -1.45 3.04 -1.95 0.11 116.25 120.47 2pw3 h VAL 139 Ca -0.46 -0.17 -0.05 0.00 -1.01 0.00 0.00 66.70 65.02 2pw3 h VAL 139 Cb 1.26 0.09 -0.01 0.00 -2.01 0.00 0.00 31.29 30.62 2pw3 h VAL 139 CO 0.90 0.09 -0.12 -2.24 -1.01 0.00 0.00 177.57 175.19 2pw3 h ASP 140 N 0.50 0.21 -0.04 3.17 3.04 -1.97 -2.01 116.42 119.31 2pw3 h ASP 140 Ca 0.47 -0.04 -0.02 0.00 -3.24 0.00 0.00 57.03 54.20 2pw3 h ASP 140 Cb 0.75 -0.05 0.00 0.00 -1.04 0.00 0.00 39.33 38.98 2pw3 h ASP 140 CO -0.42 0.35 -0.06 0.74 -2.04 0.00 0.00 179.24 177.81 2pw3 h THR 141 N 0.21 1.43 -0.16 1.15 2.02 -1.05 -1.88 112.91 114.63 2pw3 h THR 141 Ca 0.04 -1.36 0.03 0.00 0.77 0.00 0.00 66.41 65.89 2pw3 h THR 141 Cb 0.35 2.25 -0.03 0.00 -1.74 0.00 0.00 68.15 68.98 2pw3 h THR 141 CO 0.02 0.37 -0.03 0.25 0.37 0.00 0.00 175.52 176.50 2pw3 h LEU 142 N -0.41 -0.13 -0.81 2.58 5.85 -1.14 -0.19 115.31 121.07 2pw3 h LEU 142 Ca 0.00 0.05 -0.03 0.00 0.84 0.00 0.00 57.88 58.73 2pw3 h LEU 142 Cb 0.63 0.09 -0.04 0.00 0.37 0.00 0.00 40.66 41.71 2pw3 h LEU 142 CO 0.01 -0.04 0.37 0.40 -0.34 0.00 0.00 178.44 178.85 2pw3 h ILE 143 N 0.01 1.25 -0.31 4.05 1.08 -1.43 0.21 117.51 122.38 2pw3 h ILE 143 Ca 0.08 -0.73 -0.01 0.00 -0.39 0.00 0.00 64.86 63.80 2pw3 h ILE 143 Cb 0.11 0.24 -0.01 0.00 -3.07 0.00 0.00 36.82 34.09 2pw3 h ILE 143 CO -0.16 0.31 0.14 0.74 -0.69 0.00 0.00 178.15 178.50 2pw3 h THR 144 N 1.15 1.16 -0.04 -0.27 2.02 -0.92 -0.78 112.91 115.22 2pw3 h THR 144 Ca 0.28 -0.46 -0.00 0.00 0.77 0.00 0.00 66.41 66.99 2pw3 h THR 144 Cb 0.14 0.90 -0.00 0.00 -1.74 0.00 0.00 68.15 67.45 2pw3 h THR 144 CO -0.03 0.17 0.01 0.22 0.37 0.00 0.00 175.52 176.26 2pw3 h TYR 145 N 0.36 0.06 -0.67 3.16 3.20 -0.78 -2.06 116.97 120.24 2pw3 h TYR 145 Ca 0.10 -0.01 0.07 0.00 3.14 0.00 0.00 58.73 62.04 2pw3 h TYR 145 Cb 0.13 -0.02 -0.06 0.00 1.54 0.00 0.00 36.73 38.32 2pw3 h TYR 145 CO -0.02 0.24 0.36 -0.07 -1.64 0.00 0.00 178.16 177.03 2pw3 h LEU 146 N -0.13 0.51 -0.77 2.82 3.38 -0.83 0.33 115.31 120.62 2pw3 h LEU 146 Ca 0.01 0.04 -0.09 0.00 0.09 0.00 0.00 57.88 57.93 2pw3 h LEU 146 Cb 0.21 -0.06 -0.02 0.00 0.09 0.00 0.00 40.66 40.88 2pw3 h LEU 146 CO -0.00 0.32 -0.03 0.24 0.09 0.00 0.00 178.44 179.06 2pw3 h MET 147 N 0.64 0.91 -0.18 1.13 2.86 -1.11 0.73 114.93 119.92 2pw3 h MET 147 Ca 0.31 -0.28 -0.02 0.00 -2.06 0.00 0.00 59.70 57.65 2pw3 h MET 147 Cb 0.24 -0.09 -0.01 0.00 0.06 0.00 0.00 31.60 31.80 2pw3 h MET 147 CO -0.21 0.92 0.02 1.15 1.06 0.00 0.00 176.91 179.85 2pw3 h THR 148 N 0.83 1.23 -0.23 2.22 2.02 -0.57 -0.24 112.91 118.17 2pw3 h THR 148 Ca 0.15 -0.75 0.01 0.00 0.77 0.00 0.00 66.41 66.59 2pw3 h THR 148 Cb 0.53 1.38 -0.01 0.00 -1.74 0.00 0.00 68.15 68.31 2pw3 h THR 148 CO 0.03 0.23 0.14 0.25 0.37 0.00 0.00 175.52 176.53 2pw3 h LEU 149 N 0.08 0.23 -1.32 2.58 5.85 -0.18 -2.31 115.31 120.25 2pw3 h LEU 149 Ca 0.05 0.00 -0.01 0.00 0.84 0.00 0.00 57.88 58.77 2pw3 h LEU 149 Cb 0.32 -0.05 -0.03 0.00 0.37 0.00 0.00 40.66 41.28 2pw3 h LEU 149 CO 0.00 0.17 0.33 -0.08 -0.34 0.00 0.00 178.44 178.52 2pw3 h GLU 150 N 0.29 0.79 0.00 1.25 4.81 -0.73 -1.28 114.58 119.70 2pw3 h GLU 150 Ca 0.09 -0.07 -0.01 0.00 -0.13 0.00 0.00 59.36 59.23 2pw3 h GLU 150 Cb -0.01 -0.16 -0.00 0.00 0.63 0.00 0.00 28.75 29.20 2pw3 h GLU 150 CO -0.04 0.58 -0.07 -0.44 -0.73 0.00 0.00 179.01 178.31 2pw3 h ASP 151 N 0.80 0.00 -0.12 1.04 3.45 -0.48 -2.16 116.42 118.96 2pw3 h ASP 151 Ca 0.21 0.00 0.00 0.00 0.43 0.00 0.00 57.03 57.67 2pw3 h ASP 151 Cb 0.01 0.00 0.00 0.00 -0.56 0.00 0.00 39.33 38.78 2pw3 h ASP 151 CO -0.04 0.07 0.00 1.41 -1.57 0.00 0.00 179.24 179.11 2pw3 n HIS 152 N -3.84 0.15 -3.60 4.55 8.25 -0.48 -4.75 115.22 115.49 2pw3 n HIS 152 Ca -0.02 -0.07 -0.37 0.00 -0.26 0.00 0.00 57.72 56.99 2pw3 n HIS 152 Cb 0.16 0.00 -0.06 0.00 1.12 0.00 0.00 29.99 31.21 2pw3 n HIS 152 CO 0.00 0.00 0.00 0.71 0.64 0.00 0.00 176.34 177.69 2pw3 s TYR 153 N -1.85 3.67 -0.15 4.41 1.51 -0.81 -1.02 117.35 123.11 2pw3 s TYR 153 Ca 0.32 0.85 -0.27 0.00 -1.01 0.00 0.00 57.07 56.95 2pw3 s TYR 153 Cb 0.17 -2.18 -0.01 0.00 -0.11 0.00 0.00 41.96 39.82 2pw3 s TYR 153 CO 0.26 0.64 0.91 -1.01 -1.11 0.00 0.00 175.55 175.23 2pw3 s HIS 154 N -1.14 3.45 -0.54 2.71 3.76 -1.26 -4.80 115.29 117.46 2pw3 s HIS 154 Ca 0.24 1.39 0.25 0.00 -0.15 0.00 0.00 55.06 56.79 2pw3 s HIS 154 Cb -0.15 -3.09 0.91 0.00 1.11 0.00 0.00 32.58 31.35 2pw3 s HIS 154 CO 0.13 -0.25 1.75 0.00 -0.85 0.00 0.00 174.74 175.52 2pw3 h ALA 155 N 7.25 1.00 -0.61 -1.40 0.00 -1.94 -3.02 119.26 120.55 2pw3 h ALA 155 Ca -0.29 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.62 2pw3 h ALA 155 Cb 1.13 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.92 2pw3 h ALA 155 CO 0.86 0.00 0.00 -0.40 0.00 0.00 0.00 179.25 179.71 2pw3 n ASP 156 N -2.35 4.87 -4.32 0.00 3.85 -1.26 -4.79 116.55 112.55 2pw3 n ASP 156 Ca 0.04 -2.56 -0.36 0.00 -0.71 0.00 0.00 54.79 51.20 2pw3 n ASP 156 Cb 0.33 -0.60 -0.13 0.00 -1.35 0.00 0.00 41.12 39.37 2pw3 n ASP 156 CO 0.00 0.00 0.00 -0.69 -1.01 0.00 0.00 177.20 175.50 2pw3 s VAL 157 N -2.08 3.58 0.28 2.12 1.01 -1.14 -5.03 120.40 119.15 2pw3 s VAL 157 Ca 0.50 -0.57 -0.02 0.00 0.00 0.00 0.00 61.98 61.90 2pw3 s VAL 157 Cb 0.34 -2.71 0.27 0.00 0.00 0.00 0.00 36.38 34.28 2pw3 s VAL 157 CO 0.21 0.30 1.92 0.00 0.00 0.00 0.00 175.10 177.53 2pw3 h ALA 158 N 8.15 1.43 0.00 5.51 0.00 -1.87 -3.40 119.26 129.09 2pw3 h ALA 158 Ca -0.37 -0.04 -0.03 0.00 0.00 0.00 0.00 54.91 54.47 2pw3 h ALA 158 Cb 1.15 -0.31 -0.00 0.00 0.00 0.00 0.00 17.79 18.62 2pw3 h ALA 158 CO 0.60 0.46 -0.66 0.98 0.00 0.00 0.00 179.25 180.62 2pw3 n TYR 159 N -4.46 0.00 -1.27 0.00 9.36 -1.26 -4.77 117.16 114.76 2pw3 n TYR 159 Ca 0.13 0.00 -0.37 0.00 3.32 0.00 0.00 57.90 60.98 2pw3 n TYR 159 Cb 0.14 -0.28 -0.03 0.00 -0.63 0.00 0.00 39.34 38.54 2pw3 n TYR 159 CO 0.00 0.00 0.00 0.72 0.22 0.00 0.00 176.86 177.80 2pw3 n HIS 160 N -3.95 2.39 -3.84 2.98 8.25 -1.26 -4.27 115.22 115.52 2pw3 n HIS 160 Ca -0.10 -2.48 0.00 0.00 -0.26 0.00 0.00 57.72 54.89 2pw3 n HIS 160 Cb 0.32 -2.13 0.00 0.00 1.12 0.00 0.00 29.99 29.30 2pw3 n HIS 160 CO 0.00 0.00 0.00 0.27 0.64 0.00 0.00 176.34 177.25 2pw3 n ASN 161 N 5.50 1.45 0.26 0.41 0.23 -1.26 -4.59 115.26 117.26 2pw3 n ASN 161 Ca 0.56 -0.84 0.10 0.00 -0.53 0.00 0.00 54.58 53.86 2pw3 n ASN 161 Cb 0.30 0.00 0.68 0.00 -2.08 0.00 0.00 39.78 38.69 2pw3 n ASN 161 CO 0.00 0.00 0.00 -0.55 -0.93 0.00 0.00 177.26 175.78 2pw3 h ASN 162 N 0.00 0.00 -0.31 0.53 -1.07 -1.87 -1.77 115.58 111.09 2pw3 h ASN 162 Ca 0.00 0.00 -0.17 0.00 0.07 0.00 0.00 56.30 56.20 2pw3 h ASN 162 Cb 0.00 0.00 -0.00 0.00 -2.07 0.00 0.00 38.32 36.25 2pw3 h ASN 162 CO 0.00 0.09 -0.48 0.40 0.07 0.00 0.00 177.43 177.50 2pw3 h ILE 163 N 0.00 1.28 -0.60 6.14 2.04 -1.96 -0.32 117.51 124.09 2pw3 h ILE 163 Ca -0.00 -1.66 -0.05 0.00 1.00 0.00 0.00 64.86 64.15 2pw3 h ILE 163 Cb 0.18 1.59 -0.03 0.00 -0.74 0.00 0.00 36.82 37.82 2pw3 h ILE 163 CO 0.01 0.54 0.18 -0.74 0.00 0.00 0.00 178.15 178.15 2pw3 h HIS 164 N 0.65 0.97 -0.30 1.37 2.76 -1.59 -0.17 115.15 118.83 2pw3 h HIS 164 Ca 0.03 -0.10 -0.00 0.00 -2.20 0.00 0.00 60.37 58.10 2pw3 h HIS 164 Cb 1.09 -0.28 -0.01 0.00 1.55 0.00 0.00 27.41 29.75 2pw3 h HIS 164 CO 0.07 0.80 0.18 0.00 -1.30 0.00 0.00 177.93 177.69 2pw3 h ALA 165 N 1.05 0.38 -0.77 5.26 0.00 -1.18 -0.13 119.26 123.87 2pw3 h ALA 165 Ca 0.19 -0.05 -0.01 0.00 0.00 0.00 0.00 54.91 55.04 2pw3 h ALA 165 Cb 0.29 -0.12 -0.04 0.00 0.00 0.00 0.00 17.79 17.93 2pw3 h ALA 165 CO -0.01 -0.12 0.43 0.00 0.00 0.00 0.00 179.25 179.55 2pw3 h ALA 166 N 1.07 1.30 -0.54 0.00 0.00 -0.78 -0.56 119.26 119.76 2pw3 h ALA 166 Ca 0.11 -0.11 -0.12 0.00 0.00 0.00 0.00 54.91 54.79 2pw3 h ALA 166 Cb 0.01 -0.31 -0.02 0.00 0.00 0.00 0.00 17.79 17.47 2pw3 h ALA 166 CO -0.02 0.57 -0.12 0.22 0.00 0.00 0.00 179.25 179.90 2pw3 h ASP 167 N 1.07 1.03 -0.13 0.00 3.58 -0.54 -0.32 116.42 121.11 2pw3 h ASP 167 Ca 0.27 -0.34 -0.16 0.00 0.42 0.00 0.00 57.03 57.22 2pw3 h ASP 167 Cb 0.02 -0.28 -0.01 0.00 1.72 0.00 0.00 39.33 40.78 2pw3 h ASP 167 CO -0.05 1.14 -0.49 0.58 -2.88 0.00 0.00 179.24 177.54 2pw3 h VAL 168 N 0.91 1.30 -0.20 2.25 2.07 -0.61 -0.02 116.25 121.94 2pw3 h VAL 168 Ca 0.14 -1.69 -0.01 0.00 0.82 0.00 0.00 66.70 65.95 2pw3 h VAL 168 Cb 0.69 1.62 -0.01 0.00 -1.52 0.00 0.00 31.29 32.07 2pw3 h VAL 168 CO 0.05 0.54 0.08 0.58 0.02 0.00 0.00 177.57 178.84 2pw3 h VAL 169 N 0.55 1.17 -0.33 2.57 2.07 -0.94 0.17 116.25 121.51 2pw3 h VAL 169 Ca 0.03 -0.51 -0.11 0.00 0.82 0.00 0.00 66.70 66.93 2pw3 h VAL 169 Cb 1.05 1.13 -0.01 0.00 -1.52 0.00 0.00 31.29 31.94 2pw3 h VAL 169 CO 0.10 0.16 -0.25 -0.61 0.02 0.00 0.00 177.57 176.99 2pw3 h GLN 170 N 0.17 0.65 -0.50 1.57 -0.00 -1.00 -0.74 115.11 115.26 2pw3 h GLN 170 Ca 0.07 -0.26 -0.12 0.00 -0.00 0.00 0.00 58.65 58.34 2pw3 h GLN 170 Cb 0.18 -0.03 -0.02 0.00 0.00 0.00 0.00 27.48 27.62 2pw3 h GLN 170 CO -0.00 0.84 -0.15 0.77 0.00 0.00 0.00 178.83 180.28 2pw3 h SER 171 N 0.57 0.98 -0.40 -0.69 0.02 -0.79 -1.73 113.55 111.50 2pw3 h SER 171 Ca 0.08 -0.34 -0.12 0.00 -0.84 0.00 0.00 61.79 60.57 2pw3 h SER 171 Cb 0.73 -0.27 -0.02 0.00 0.14 0.00 0.00 62.40 62.99 2pw3 h SER 171 CO 0.06 1.12 -0.18 0.74 -1.14 0.00 0.00 176.83 177.43 2pw3 h THR 172 N 0.86 1.27 -1.00 -2.27 2.02 -0.76 -1.57 112.91 111.45 2pw3 h THR 172 Ca 0.13 -1.31 0.03 0.00 0.77 0.00 0.00 66.41 66.03 2pw3 h THR 172 Cb 0.71 1.11 -0.06 0.00 -1.74 0.00 0.00 68.15 68.17 2pw3 h THR 172 CO 0.05 0.45 0.65 -0.74 0.37 0.00 0.00 175.52 176.31 2pw3 h HIS 173 N 0.78 1.23 -0.13 3.16 -0.00 -0.82 0.18 115.15 119.55 2pw3 h HIS 173 Ca 0.11 0.03 -0.12 0.00 -0.00 0.00 0.00 60.37 60.39 2pw3 h HIS 173 Cb 0.71 -0.41 0.00 0.00 -0.00 0.00 0.00 27.41 27.72 2pw3 h HIS 173 CO 0.04 0.72 -0.39 0.28 -0.00 0.00 0.00 177.93 178.58 2pw3 h VAL 174 N 1.28 1.36 0.00 5.26 2.07 -1.08 -3.06 116.25 122.08 2pw3 h VAL 174 Ca 0.39 -1.68 -0.02 0.00 0.82 0.00 0.00 66.70 66.21 2pw3 h VAL 174 Cb -0.02 2.08 -0.00 0.00 -1.52 0.00 0.00 31.29 31.82 2pw3 h VAL 174 CO -0.12 0.51 -0.10 -0.07 0.02 0.00 0.00 177.57 177.81 2pw3 h LEU 175 N 0.11 0.00 -0.94 2.57 3.38 -0.89 -1.00 115.31 118.54 2pw3 h LEU 175 Ca -0.01 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 57.95 2pw3 h LEU 175 Cb 1.01 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.76 2pw3 h LEU 175 CO 0.08 0.10 -0.04 -0.07 0.09 0.00 0.00 178.44 178.61 2pw3 h LEU 176 N 0.00 0.00 -1.92 1.67 3.38 -0.87 -2.75 115.31 114.83 2pw3 h LEU 176 Ca -0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 2pw3 h LEU 176 Cb 0.25 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.00 2pw3 h LEU 176 CO 0.01 0.04 0.00 -1.20 0.09 0.00 0.00 178.44 177.38 2pw3 n SER 177 N -3.13 2.81 -4.68 -0.43 7.64 -0.38 -4.77 113.62 110.68 2pw3 n SER 177 Ca 0.02 -2.05 -0.44 0.00 1.01 0.00 0.00 58.87 57.40 2pw3 n SER 177 Cb 0.40 -0.36 -0.04 0.00 -1.01 0.00 0.00 64.21 63.20 2pw3 n SER 177 CO 0.00 0.00 0.00 0.41 -3.01 0.00 0.00 175.04 172.44 2pw3 n THR 178 N 0.92 0.41 -0.34 0.44 -1.04 -1.04 -4.86 114.28 108.77 2pw3 n THR 178 Ca 0.17 -0.07 0.18 0.00 -2.04 0.00 0.00 64.05 62.29 2pw3 n THR 178 Cb 0.46 -2.02 0.39 0.00 -1.82 0.00 0.00 70.33 67.35 2pw3 n THR 178 CO 0.00 0.00 0.00 -0.65 -0.64 0.00 0.00 175.07 173.78 2pw3 h PRO 179 N 8.57 0.48 0.00 -2.82 0.11 -1.91 0.41 132.00 136.84 2pw3 h PRO 179 Ca -0.47 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 65.61 2pw3 h PRO 179 Cb 1.24 -0.11 0.00 0.00 0.11 0.00 0.00 31.00 32.24 2pw3 h PRO 179 CO 0.94 0.32 0.00 0.00 -0.21 0.00 0.00 178.00 179.05 2pw3 n ALA 180 N -2.33 1.58 -0.27 -0.75 0.00 -1.26 -2.17 120.51 115.30 2pw3 n ALA 180 Ca 0.27 0.02 0.05 0.00 0.00 0.00 0.00 53.44 53.77 2pw3 n ALA 180 Cb 0.79 -1.27 0.12 0.00 0.00 0.00 0.00 19.45 19.08 2pw3 n ALA 180 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 2pw3 n LEU 181 N -1.80 2.72 -4.68 0.00 4.77 0.14 -0.68 117.00 117.47 2pw3 n LEU 181 Ca 0.02 -2.19 -0.45 0.00 -0.03 0.00 0.00 56.01 53.37 2pw3 n LEU 181 Cb 0.17 -0.21 -0.04 0.00 -2.33 0.00 0.00 43.42 41.01 2pw3 n LEU 181 CO 0.14 0.65 1.29 1.21 -1.33 0.00 0.00 177.39 179.36 2pw3 n GLU 182 N -0.03 2.33 -1.49 3.23 2.13 -0.92 -1.77 120.64 124.12 2pw3 n GLU 182 Ca 0.09 0.84 -0.17 0.00 0.66 0.00 0.00 57.16 58.59 2pw3 n GLU 182 Cb 0.44 -2.65 -0.07 0.00 0.27 0.00 0.00 31.44 29.43 2pw3 n GLU 182 CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72 2pw3 n ALA 183 N 4.18 -0.26 0.08 4.31 0.00 -1.26 -4.84 120.51 122.72 2pw3 n ALA 183 Ca 0.18 0.28 -0.03 0.00 0.00 0.00 0.00 53.44 53.86 2pw3 n ALA 183 Cb 0.31 -1.89 -0.06 0.00 0.00 0.00 0.00 19.45 17.81 2pw3 n ALA 183 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 2pw3 h VAL 184 N 0.00 1.23 -3.72 0.00 2.07 -1.72 -3.46 116.25 110.65 2pw3 h VAL 184 Ca -0.35 -2.79 -0.68 0.00 0.82 0.00 0.00 66.70 63.70 2pw3 h VAL 184 Cb 1.24 2.59 -0.18 0.00 -1.52 0.00 0.00 31.29 33.42 2pw3 h VAL 184 CO 0.51 0.70 -0.79 -0.36 0.02 0.00 0.00 177.57 177.65 2pw3 s PHE 185 N -2.82 2.58 0.79 1.57 0.08 -1.26 -5.02 117.98 113.89 2pw3 s PHE 185 Ca 0.02 -0.24 -0.12 0.00 0.12 0.00 0.00 56.93 56.70 2pw3 s PHE 185 Cb 0.09 -1.37 0.07 0.00 -0.57 0.00 0.00 43.02 41.23 2pw3 s PHE 185 CO 0.79 0.38 1.15 0.95 -0.10 0.00 0.00 175.22 178.39 2pw3 s THR 186 N -1.13 2.44 0.42 0.64 -4.23 -1.26 -4.86 115.64 107.67 2pw3 s THR 186 Ca 0.18 0.14 0.12 0.00 -1.18 0.00 0.00 61.69 60.96 2pw3 s THR 186 Cb -0.11 -3.11 0.18 0.00 1.34 0.00 0.00 72.50 70.80 2pw3 s THR 186 CO 0.10 -0.19 1.97 0.44 -0.54 0.00 0.00 174.62 176.40 2pw3 h ASP 187 N -0.99 0.11 -0.22 3.99 3.32 -2.00 -0.87 116.42 119.77 2pw3 h ASP 187 Ca -0.46 -0.02 -0.17 0.00 0.02 0.00 0.00 57.03 56.40 2pw3 h ASP 187 Cb 1.31 -0.03 0.00 0.00 0.22 0.00 0.00 39.33 40.83 2pw3 h ASP 187 CO 0.65 0.26 -0.52 0.25 -1.72 0.00 0.00 179.24 178.16 2pw3 h LEU 188 N 0.11 0.83 -0.83 1.55 5.85 -1.98 -0.77 115.31 120.06 2pw3 h LEU 188 Ca 0.02 -0.56 -0.11 0.00 0.84 0.00 0.00 57.88 58.07 2pw3 h LEU 188 Cb 0.32 -0.24 -0.01 0.00 0.37 0.00 0.00 40.66 41.09 2pw3 h LEU 188 CO 0.02 1.24 -0.26 -0.33 -0.34 0.00 0.00 178.44 178.78 2pw3 h GLU 189 N 0.45 0.58 -0.43 1.25 5.08 -1.84 -0.41 114.58 119.27 2pw3 h GLU 189 Ca -0.00 -0.23 -0.07 0.00 -1.00 0.00 0.00 59.36 58.06 2pw3 h GLU 189 Cb 1.13 -0.03 -0.02 0.00 0.50 0.00 0.00 28.75 30.34 2pw3 h GLU 189 CO 0.11 0.79 0.01 0.82 -1.00 0.00 0.00 179.01 179.74 2pw3 h ILE 190 N 0.51 1.26 -0.66 3.13 2.04 -1.10 -1.22 117.51 121.47 2pw3 h ILE 190 Ca 0.07 -1.01 -0.01 0.00 1.00 0.00 0.00 64.86 64.91 2pw3 h ILE 190 Cb 0.71 1.06 -0.03 0.00 -0.74 0.00 0.00 36.82 37.82 2pw3 h ILE 190 CO 0.05 0.35 0.38 0.25 0.00 0.00 0.00 178.15 179.19 2pw3 h LEU 191 N 0.60 0.79 -0.22 1.44 5.85 -0.73 -1.75 115.31 121.30 2pw3 h LEU 191 Ca 0.12 -0.05 -0.08 0.00 0.84 0.00 0.00 57.88 58.72 2pw3 h LEU 191 Cb 0.47 -0.20 -0.00 0.00 0.37 0.00 0.00 40.66 41.30 2pw3 h LEU 191 CO 0.02 0.62 -0.18 0.00 -0.34 0.00 0.00 178.44 178.56 2pw3 h ALA 192 N 1.52 0.31 -0.72 1.25 0.00 -0.68 0.39 119.26 121.33 2pw3 h ALA 192 Ca 0.24 -0.34 -0.04 0.00 0.00 0.00 0.00 54.91 54.77 2pw3 h ALA 192 Cb -0.02 -0.07 -0.03 0.00 0.00 0.00 0.00 17.79 17.67 2pw3 h ALA 192 CO -0.04 0.23 0.31 0.00 0.00 0.00 0.00 179.25 179.75 2pw3 h ALA 193 N 0.67 0.94 -0.14 0.00 0.00 -0.95 0.25 119.26 120.03 2pw3 h ALA 193 Ca 0.04 -0.17 -0.16 0.00 0.00 0.00 0.00 54.91 54.62 2pw3 h ALA 193 Cb 0.71 -0.28 0.01 0.00 0.00 0.00 0.00 17.79 18.23 2pw3 h ALA 193 CO 0.05 0.53 -0.52 0.82 0.00 0.00 0.00 179.25 180.13 2pw3 h ILE 194 N 1.03 1.34 -0.45 0.00 2.04 -1.33 -1.95 117.51 118.19 2pw3 h ILE 194 Ca 0.24 -1.79 -0.02 0.00 1.00 0.00 0.00 64.86 64.29 2pw3 h ILE 194 Cb 0.17 2.05 -0.02 0.00 -0.74 0.00 0.00 36.82 38.28 2pw3 h ILE 194 CO -0.02 0.55 0.21 0.15 0.00 0.00 0.00 178.15 179.03 2pw3 h PHE 195 N 0.26 0.66 -0.74 1.37 3.57 -0.74 -1.06 116.94 120.26 2pw3 h PHE 195 Ca -0.02 -0.04 0.03 0.00 3.53 0.00 0.00 57.97 61.47 2pw3 h PHE 195 Cb 1.15 -0.20 -0.05 0.00 2.79 0.00 0.00 35.95 39.64 2pw3 h PHE 195 CO 0.10 0.54 0.47 0.00 -2.23 0.00 0.00 178.31 177.19 2pw3 h ALA 196 N 1.05 0.97 -0.77 2.41 0.00 -0.50 -1.97 119.26 120.46 2pw3 h ALA 196 Ca 0.15 -0.02 -0.05 0.00 0.00 0.00 0.00 54.91 54.99 2pw3 h ALA 196 Cb 0.14 -0.24 -0.03 0.00 0.00 0.00 0.00 17.79 17.65 2pw3 h ALA 196 CO -0.02 0.25 0.30 0.77 0.00 0.00 0.00 179.25 180.56 2pw3 h SER 197 N 0.91 1.08 -0.62 0.00 0.02 -0.94 0.03 113.55 114.02 2pw3 h SER 197 Ca 0.30 -0.18 -0.06 0.00 -0.84 0.00 0.00 61.79 61.01 2pw3 h SER 197 Cb 0.02 -0.28 -0.03 0.00 0.14 0.00 0.00 62.40 62.26 2pw3 h SER 197 CO -0.11 0.96 0.17 0.00 -1.14 0.00 0.00 176.83 176.71 2pw3 h ALA 198 N 1.16 1.07 -0.02 3.77 0.00 -0.51 -3.17 119.26 121.56 2pw3 h ALA 198 Ca 0.26 -0.23 0.00 0.00 0.00 0.00 0.00 54.91 54.94 2pw3 h ALA 198 Cb 0.23 -0.25 0.00 0.00 0.00 0.00 0.00 17.79 17.77 2pw3 h ALA 198 CO -0.02 0.62 -0.41 0.44 0.00 0.00 0.00 179.25 179.88 2pw3 n ILE 199 N -4.25 0.00 0.33 0.00 -5.35 -0.80 -4.65 119.36 104.64 2pw3 n ILE 199 Ca 0.05 -0.26 0.16 0.00 -0.27 0.00 0.00 62.75 62.43 2pw3 n ILE 199 Cb 0.24 1.15 0.85 0.00 -1.74 0.00 0.00 39.64 40.14 2pw3 n ILE 199 CO 0.00 0.00 0.00 1.12 -1.76 0.00 0.00 176.55 175.91 2pw3 h HIS 200 N 2.43 0.00 0.00 4.28 2.07 -0.96 -2.40 115.15 120.57 2pw3 h HIS 200 Ca 0.00 0.00 0.00 0.00 -2.85 0.00 0.00 60.37 57.52 2pw3 h HIS 200 Cb 0.74 0.00 0.00 0.00 2.57 0.00 0.00 27.41 30.72 2pw3 h HIS 200 CO 0.00 0.00 -0.30 0.09 -3.07 0.00 0.00 177.93 174.65 2pw3 n ASN 201 N -2.89 0.86 -4.76 3.10 5.03 -1.26 -4.86 115.26 110.47 2pw3 n ASN 201 Ca -0.02 -2.34 -0.41 0.00 0.87 0.00 0.00 54.58 52.67 2pw3 n ASN 201 Cb 0.35 -0.27 -0.01 0.00 -1.02 0.00 0.00 39.78 38.83 2pw3 n ASN 201 CO 0.00 0.00 0.00 0.54 -1.83 0.00 0.00 177.26 175.97 2pw3 s VAL 202 N -1.02 2.07 -1.31 2.41 0.11 -0.91 -2.38 120.40 119.37 2pw3 s VAL 202 Ca 0.11 0.06 0.00 0.00 -2.93 0.00 0.00 61.98 59.22 2pw3 s VAL 202 Cb 0.10 -3.04 0.00 0.00 -1.53 0.00 0.00 36.38 31.91 2pw3 s VAL 202 CO 0.01 0.01 0.00 -0.67 -3.33 0.00 0.00 175.10 171.12 2pw3 n ASP 203 N 1.46 -4.60 -4.72 3.54 2.03 -0.18 -4.42 116.55 109.67 2pw3 n ASP 203 Ca 0.05 -0.01 -0.42 0.00 0.52 0.00 0.00 54.79 54.93 2pw3 n ASP 203 Cb 0.38 -3.73 -0.03 0.00 -0.72 0.00 0.00 41.12 37.02 2pw3 n ASP 203 CO 0.00 0.00 0.00 -2.28 -1.92 0.00 0.00 177.20 173.00 2pw3 s HIS 204 N -2.76 3.29 -1.29 -0.67 5.65 -1.00 -4.92 115.29 113.59 2pw3 s HIS 204 Ca 0.00 1.05 0.29 0.00 0.25 0.00 0.00 55.06 56.66 2pw3 s HIS 204 Cb 0.00 -3.62 1.32 0.00 -1.18 0.00 0.00 32.58 29.11 2pw3 s HIS 204 CO 0.00 -2.09 1.95 -0.35 -0.65 0.00 0.00 174.74 173.59 2pw3 n PRO 205 N 3.82 0.30 -0.26 2.88 -0.04 -1.26 -4.57 135.00 135.87 2pw3 n PRO 205 Ca 0.10 -0.03 0.00 0.00 -0.04 0.00 0.00 63.50 63.53 2pw3 n PRO 205 Cb 0.43 -1.50 0.00 0.00 -0.04 0.00 0.00 33.50 32.39 2pw3 n PRO 205 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 2pw3 n GLY 206 N 1.37 0.77 3.23 0.55 0.00 -1.26 -5.01 105.19 104.83 2pw3 n GLY 206 Ca 0.11 0.00 -0.17 0.00 0.00 0.00 0.00 46.02 45.97 2pw3 n GLY 206 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 2pw3 s VAL 207 N -2.22 1.23 0.78 1.61 -7.23 -1.26 -4.74 120.40 108.56 2pw3 s VAL 207 Ca 0.00 -1.74 -0.12 0.00 -1.81 0.00 0.00 61.98 58.31 2pw3 s VAL 207 Cb 0.00 -1.53 0.06 0.00 0.56 0.00 0.00 36.38 35.47 2pw3 s VAL 207 CO 0.00 -0.48 1.13 -0.94 -0.31 0.00 0.00 175.10 174.50 2pw3 s SER 208 N -2.53 4.78 0.15 4.85 1.04 -1.26 -4.89 113.70 115.84 2pw3 s SER 208 Ca 0.09 1.00 -0.17 0.00 0.48 0.00 0.00 55.95 57.36 2pw3 s SER 208 Cb -0.04 -1.65 0.03 0.00 0.10 0.00 0.00 66.02 64.46 2pw3 s SER 208 CO 0.02 -1.75 1.78 0.78 0.98 0.00 0.00 173.24 175.05 2pw3 h ASN 209 N -0.94 0.26 -0.99 7.02 2.35 -2.01 -1.12 115.58 120.14 2pw3 h ASN 209 Ca -0.46 0.01 0.06 0.00 -0.55 0.00 0.00 56.30 55.36 2pw3 h ASN 209 Cb 1.29 -0.04 -0.06 0.00 0.05 0.00 0.00 38.32 39.56 2pw3 h ASN 209 CO 0.64 0.19 0.64 -0.61 -1.65 0.00 0.00 177.43 176.65 2pw3 h GLN 210 N 0.36 1.15 -0.27 0.81 5.75 -1.98 0.83 115.11 121.76 2pw3 h GLN 210 Ca 0.14 -0.07 -0.02 0.00 -0.15 0.00 0.00 58.65 58.55 2pw3 h GLN 210 Cb 0.05 -0.26 -0.01 0.00 1.07 0.00 0.00 27.48 28.33 2pw3 h GLN 210 CO -0.10 0.76 0.07 0.35 -2.65 0.00 0.00 178.83 177.26 2pw3 h PHE 211 N 1.18 0.44 -0.39 3.99 3.04 -1.77 0.11 116.94 123.54 2pw3 h PHE 211 Ca 0.42 -0.05 -0.02 0.00 3.98 0.00 0.00 57.97 62.30 2pw3 h PHE 211 Cb 0.13 -0.12 -0.02 0.00 2.56 0.00 0.00 35.95 38.50 2pw3 h PHE 211 CO -0.00 0.49 0.16 -0.07 -2.02 0.00 0.00 178.31 176.87 2pw3 h LEU 212 N 0.26 0.50 0.00 0.59 3.38 -0.45 -1.23 115.31 118.36 2pw3 h LEU 212 Ca 0.08 -0.05 -0.00 0.00 0.09 0.00 0.00 57.88 58.01 2pw3 h LEU 212 Cb 0.27 -0.13 0.00 0.00 0.09 0.00 0.00 40.66 40.89 2pw3 h LEU 212 CO -0.00 0.46 -0.00 0.40 0.09 0.00 0.00 178.44 179.39 2pw3 h ILE 213 N 0.56 1.54 0.00 1.22 2.04 -0.56 -1.64 117.51 120.67 2pw3 h ILE 213 Ca 0.14 -1.60 -0.00 0.00 1.00 0.00 0.00 64.86 64.39 2pw3 h ILE 213 Cb 0.11 2.63 -0.00 0.00 -0.74 0.00 0.00 36.82 38.82 2pw3 h ILE 213 CO -0.01 0.42 -0.02 0.78 0.00 0.00 0.00 178.15 179.31 2pw3 h ASN 214 N -0.69 0.00 -0.70 1.72 2.35 -0.61 -1.97 115.58 115.69 2pw3 h ASN 214 Ca -0.00 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.75 2pw3 h ASN 214 Cb 0.68 0.00 0.00 0.00 0.05 0.00 0.00 38.32 39.05 2pw3 h ASN 214 CO 0.00 0.02 0.00 0.35 -1.65 0.00 0.00 177.43 176.15 2pw3 n THR 215 N -3.16 0.93 -3.95 2.81 -2.24 -0.48 -4.95 114.28 103.24 2pw3 n THR 215 Ca -0.01 -0.95 -0.28 0.00 -2.27 0.00 0.00 64.05 60.54 2pw3 n THR 215 Cb 0.20 0.53 -0.00 0.00 -2.10 0.00 0.00 70.33 68.96 2pw3 n THR 215 CO 0.00 0.00 0.00 0.59 -0.57 0.00 0.00 175.07 175.09 2pw3 n ASN 216 N 1.62 -1.89 -4.71 3.42 3.02 -0.74 -4.92 115.26 111.06 2pw3 n ASN 216 Ca 0.24 -0.93 -0.30 0.00 -0.03 0.00 0.00 54.58 53.56 2pw3 n ASN 216 Cb 0.61 -3.35 0.14 0.00 -0.61 0.00 0.00 39.78 36.57 2pw3 n ASN 216 CO 0.00 0.00 0.00 -0.94 -2.62 0.00 0.00 177.26 173.70 2pw3 s SER 217 N -3.97 3.55 0.31 6.41 1.04 -0.62 -4.84 113.70 115.58 2pw3 s SER 217 Ca 0.27 1.71 0.04 0.00 0.48 0.00 0.00 55.95 58.45 2pw3 s SER 217 Cb -0.14 -2.36 0.52 0.00 0.10 0.00 0.00 66.02 64.14 2pw3 s SER 217 CO 0.87 -2.62 1.80 -0.33 0.98 0.00 0.00 173.24 173.94 2pw3 h GLU 218 N -1.54 0.47 -0.41 4.02 4.39 -1.91 -1.24 114.58 118.36 2pw3 h GLU 218 Ca -0.47 -0.14 -0.02 0.00 0.34 0.00 0.00 59.36 59.07 2pw3 h GLU 218 Cb 1.27 -0.05 -0.02 0.00 -0.10 0.00 0.00 28.75 29.85 2pw3 h GLU 218 CO 0.51 0.61 0.18 -0.07 -1.16 0.00 0.00 179.01 179.08 2pw3 h LEU 219 N 0.43 0.54 -1.01 1.33 3.38 -1.92 0.03 115.31 118.10 2pw3 h LEU 219 Ca 0.08 -0.14 -0.09 0.00 0.09 0.00 0.00 57.88 57.81 2pw3 h LEU 219 Cb 0.51 -0.14 -0.01 0.00 0.09 0.00 0.00 40.66 41.10 2pw3 h LEU 219 CO 0.03 0.54 -0.32 0.00 0.09 0.00 0.00 178.44 178.78 2pw3 h ALA 220 N 1.03 1.17 -0.49 1.53 0.00 -1.72 -1.78 119.26 119.00 2pw3 h ALA 220 Ca 0.14 -0.36 -0.11 0.00 0.00 0.00 0.00 54.91 54.58 2pw3 h ALA 220 Cb 0.15 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 17.82 2pw3 h ALA 220 CO -0.02 0.54 -0.14 1.25 0.00 0.00 0.00 179.25 180.89 2pw3 h LEU 221 N 0.28 0.96 -0.49 0.00 5.85 -0.82 -0.30 115.31 120.78 2pw3 h LEU 221 Ca 0.04 -0.37 -0.06 0.00 0.84 0.00 0.00 57.88 58.32 2pw3 h LEU 221 Cb 0.70 -0.26 -0.02 0.00 0.37 0.00 0.00 40.66 41.45 2pw3 h LEU 221 CO 0.05 1.11 0.06 -0.03 -0.34 0.00 0.00 178.44 179.29 2pw3 h MET 222 N 0.81 0.83 -0.66 1.25 4.05 -0.70 -3.27 114.93 117.24 2pw3 h MET 222 Ca 0.12 -0.24 0.00 0.00 -0.28 0.00 0.00 59.70 59.30 2pw3 h MET 222 Cb 0.70 -0.09 0.00 0.00 -0.80 0.00 0.00 31.60 31.41 2pw3 h MET 222 CO 0.05 0.84 0.00 0.66 0.23 0.00 0.00 176.91 178.70 2pw3 n TYR 223 N -4.39 1.24 -3.90 1.39 4.01 -0.69 -4.98 117.16 109.83 2pw3 n TYR 223 Ca 0.01 -0.57 -0.28 0.00 -0.16 0.00 0.00 57.90 56.90 2pw3 n TYR 223 Cb 0.27 -0.14 0.01 0.00 -0.31 0.00 0.00 39.34 39.17 2pw3 n TYR 223 CO 0.00 0.00 0.00 0.09 -0.46 0.00 0.00 176.86 176.49 2pw3 n ASN 224 N 1.26 -2.89 -0.50 7.72 3.02 -0.17 -2.03 115.26 121.66 2pw3 n ASN 224 Ca 0.25 -0.86 -0.06 0.00 -0.03 0.00 0.00 54.58 53.88 2pw3 n ASN 224 Cb 0.77 -3.65 -0.02 0.00 -0.61 0.00 0.00 39.78 36.27 2pw3 n ASN 224 CO 0.00 0.00 0.00 0.47 -2.62 0.00 0.00 177.26 175.11 2pw3 n ASP 225 N -2.90 -4.74 -4.29 6.41 8.00 -0.91 -4.94 116.55 113.18 2pw3 n ASP 225 Ca -0.10 0.14 -0.36 0.00 0.71 0.00 0.00 54.79 55.17 2pw3 n ASP 225 Cb 0.59 -3.31 -0.13 0.00 -0.02 0.00 0.00 41.12 38.25 2pw3 n ASP 225 CO 0.00 0.00 0.00 -0.44 -0.39 0.00 0.00 177.20 176.37 2pw3 s SER 226 N -1.90 4.95 -1.46 -2.24 0.01 -0.86 -4.64 113.70 107.55 2pw3 s SER 226 Ca 0.00 -0.84 -0.06 0.00 1.31 0.00 0.00 55.95 56.36 2pw3 s SER 226 Cb 0.00 -1.82 0.01 0.00 0.21 0.00 0.00 66.02 64.42 2pw3 s SER 226 CO 0.00 -0.20 0.19 -1.20 0.41 0.00 0.00 173.24 172.44 2pw3 n SER 227 N 4.80 -0.20 0.10 2.44 7.64 -1.26 -4.83 113.62 122.30 2pw3 n SER 227 Ca -0.15 -1.24 -0.14 0.00 1.01 0.00 0.00 58.87 58.36 2pw3 n SER 227 Cb 0.47 -1.87 -0.09 0.00 -1.01 0.00 0.00 64.21 61.72 2pw3 n SER 227 CO 0.00 0.00 0.00 0.58 -3.01 0.00 0.00 175.04 172.61 2pw3 h VAL 228 N -1.94 0.00 -0.54 0.44 2.07 -1.86 -1.10 116.25 113.32 2pw3 h VAL 228 Ca -0.67 0.00 -0.11 0.00 0.82 0.00 0.00 66.70 66.75 2pw3 h VAL 228 Cb 1.40 0.00 -0.02 0.00 -1.52 0.00 0.00 31.29 31.15 2pw3 h VAL 228 CO 0.66 0.00 -0.09 -0.07 0.02 0.00 0.00 177.57 178.09 2pw3 h LEU 229 N -0.65 1.02 -0.53 2.57 3.38 -1.94 -2.46 115.31 116.69 2pw3 h LEU 229 Ca -0.01 -0.34 0.04 0.00 0.09 0.00 0.00 57.88 57.66 2pw3 h LEU 229 Cb 0.66 -0.28 -0.04 0.00 0.09 0.00 0.00 40.66 41.09 2pw3 h LEU 229 CO -0.25 1.12 0.29 -0.33 0.09 0.00 0.00 178.44 179.36 2pw3 h GLU 230 N 0.89 0.54 -0.74 1.13 3.07 -1.88 0.34 114.58 117.93 2pw3 h GLU 230 Ca 0.14 -0.03 -0.01 0.00 -0.50 0.00 0.00 59.36 58.96 2pw3 h GLU 230 Cb 0.65 -0.12 -0.04 0.00 -0.84 0.00 0.00 28.75 28.41 2pw3 h GLU 230 CO 0.05 0.36 0.43 -0.91 -1.40 0.00 0.00 179.01 177.53 2pw3 h ASN 231 N 0.56 0.90 -0.39 1.42 2.35 -1.12 -2.09 115.58 117.20 2pw3 h ASN 231 Ca 0.23 -0.08 -0.05 0.00 -0.55 0.00 0.00 56.30 55.84 2pw3 h ASN 231 Cb 0.10 -0.23 -0.01 0.00 0.05 0.00 0.00 38.32 38.23 2pw3 h ASN 231 CO -0.14 0.72 0.04 -0.74 -1.65 0.00 0.00 177.43 175.66 2pw3 h HIS 232 N 1.01 0.71 -0.68 1.19 2.76 -0.80 -0.99 115.15 118.34 2pw3 h HIS 232 Ca 0.26 -0.11 0.04 0.00 -2.20 0.00 0.00 60.37 58.36 2pw3 h HIS 232 Cb -0.00 -0.19 -0.05 0.00 1.55 0.00 0.00 27.41 28.72 2pw3 h HIS 232 CO -0.01 0.72 0.41 0.45 -1.30 0.00 0.00 177.93 178.20 2pw3 h HIS 233 N 0.50 0.76 -0.17 5.26 3.86 -0.13 -0.66 115.15 124.58 2pw3 h HIS 233 Ca 0.12 0.02 -0.02 0.00 -1.16 0.00 0.00 60.37 59.33 2pw3 h HIS 233 Cb 0.41 -0.24 -0.01 0.00 1.06 0.00 0.00 27.41 28.63 2pw3 h HIS 233 CO 0.03 0.41 0.04 -0.07 0.86 0.00 0.00 177.93 179.20 2pw3 h LEU 234 N 0.78 0.25 -0.61 2.43 3.38 -1.24 -1.01 115.31 119.30 2pw3 h LEU 234 Ca 0.29 -0.23 0.04 0.00 0.09 0.00 0.00 57.88 58.07 2pw3 h LEU 234 Cb 0.09 -0.07 -0.05 0.00 0.09 0.00 0.00 40.66 40.72 2pw3 h LEU 234 CO -0.14 0.42 0.34 0.00 0.09 0.00 0.00 178.44 179.15 2pw3 h ALA 235 N 0.84 0.80 -0.17 1.53 0.00 -0.72 -1.23 119.26 120.31 2pw3 h ALA 235 Ca 0.05 0.01 -0.05 0.00 0.00 0.00 0.00 54.91 54.92 2pw3 h ALA 235 Cb 0.26 -0.13 -0.00 0.00 0.00 0.00 0.00 17.79 17.92 2pw3 h ALA 235 CO 0.00 0.04 -0.08 0.28 0.00 0.00 0.00 179.25 179.48 2pw3 h VAL 236 N 0.66 1.31 -0.75 0.00 2.07 -1.09 -0.75 116.25 117.70 2pw3 h VAL 236 Ca 0.26 -1.13 0.09 0.00 0.82 0.00 0.00 66.70 66.74 2pw3 h VAL 236 Cb 0.12 1.70 -0.07 0.00 -1.52 0.00 0.00 31.29 31.52 2pw3 h VAL 236 CO -0.15 0.34 0.41 1.23 0.02 0.00 0.00 177.57 179.41 2pw3 h GLY 237 N 0.03 1.14 1.15 2.17 0.00 -0.88 -1.65 103.07 105.04 2pw3 h GLY 237 Ca 0.04 -0.27 -0.24 0.00 0.00 0.00 0.00 47.33 46.86 2pw3 h GLY 237 CO 0.02 0.11 -0.88 0.74 0.00 0.00 0.00 176.54 176.53 2pw3 h PHE 238 N 0.70 1.02 -0.52 5.60 0.04 -1.21 -3.28 116.94 119.29 2pw3 h PHE 238 Ca 0.36 -0.51 -0.00 0.00 2.80 0.00 0.00 57.97 60.62 2pw3 h PHE 238 Cb 0.33 -0.14 -0.03 0.00 2.20 0.00 0.00 35.95 38.32 2pw3 h PHE 238 CO -0.08 1.34 0.31 -0.22 -0.60 0.00 0.00 178.31 179.06 2pw3 h LYS 239 N 0.42 0.70 0.00 1.51 3.64 -0.72 -2.02 116.57 120.10 2pw3 h LYS 239 Ca -0.09 -0.06 -0.00 0.00 -1.27 0.00 0.00 60.65 59.23 2pw3 h LYS 239 Cb 1.53 -0.15 -0.00 0.00 -0.41 0.00 0.00 32.23 33.20 2pw3 h LYS 239 CO 0.18 0.49 -0.02 -0.07 -2.27 0.00 0.00 179.45 177.76 2pw3 h LEU 240 N 0.72 0.00 -2.16 5.20 3.38 -1.37 -1.39 115.31 119.69 2pw3 h LEU 240 Ca 0.19 0.00 -0.00 0.00 0.09 0.00 0.00 57.88 58.16 2pw3 h LEU 240 Cb -0.03 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 40.72 2pw3 h LEU 240 CO -0.04 0.02 -0.00 -0.07 0.09 0.00 0.00 178.44 178.45 2pw3 h LEU 241 N 0.00 0.00 -0.50 1.67 3.38 -1.48 -2.30 115.31 116.08 2pw3 h LEU 241 Ca -0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 2pw3 h LEU 241 Cb 0.26 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.01 2pw3 h LEU 241 CO 0.00 0.00 -0.01 0.00 0.09 0.00 0.00 178.44 178.52 2pw3 n GLN 242 N -3.09 1.30 -2.01 1.13 6.02 -0.52 -2.20 117.38 118.01 2pw3 n GLN 242 Ca -0.01 -0.50 -0.32 0.00 -0.01 0.00 0.00 57.00 56.17 2pw3 n GLN 242 Cb 0.20 -1.49 0.00 0.00 1.02 0.00 0.00 30.24 29.97 2pw3 n GLN 242 CO 0.00 0.00 0.00 -1.21 -1.01 0.00 0.00 177.06 174.84 2pw3 s GLU 243 N -2.04 3.52 -0.22 -1.09 0.41 -0.87 -4.92 118.70 113.50 2pw3 s GLU 243 Ca 0.41 0.94 -0.38 0.00 -0.41 0.00 0.00 54.97 55.54 2pw3 s GLU 243 Cb 0.21 -2.07 -0.14 0.00 -1.78 0.00 0.00 34.13 30.35 2pw3 s GLU 243 CO 0.36 -0.63 1.79 -1.91 -0.49 0.00 0.00 175.26 174.38 2pw3 n GLU 244 N -2.33 1.48 -3.59 1.61 2.13 -1.26 -1.42 120.64 117.26 2pw3 n GLU 244 Ca 0.07 0.54 -0.23 0.00 0.66 0.00 0.00 57.16 58.20 2pw3 n GLU 244 Cb 0.54 -2.28 0.08 0.00 0.27 0.00 0.00 31.44 30.05 2pw3 n GLU 244 CO 0.00 0.00 0.00 -1.71 -0.41 0.00 0.00 177.13 175.01 2pw3 n ASN 245 N 5.76 -5.56 0.00 4.31 4.05 -1.26 -4.91 115.26 117.65 2pw3 n ASN 245 Ca 0.25 -0.57 0.00 0.00 0.45 0.00 0.00 54.58 54.71 2pw3 n ASN 245 Cb 0.18 -4.98 0.00 0.00 1.23 0.00 0.00 39.78 36.21 2pw3 n ASN 245 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 177.26 174.21 2pw3 s ASP 247 N -0.57 6.37 0.00 0.00 -1.08 -0.93 -4.59 116.67 115.87 2pw3 s ASP 247 Ca 0.00 -1.62 0.19 0.00 -0.52 0.00 0.00 52.55 50.60 2pw3 s ASP 247 Cb 0.00 -2.57 0.93 0.00 -1.46 0.00 0.00 42.92 39.82 2pw3 s ASP 247 CO 0.00 -1.64 1.58 2.30 0.52 0.00 0.00 175.17 177.94 2pw3 n ILE 248 N 6.92 0.47 -0.31 4.11 -5.35 -1.26 -2.21 119.36 121.73 2pw3 n ILE 248 Ca 0.38 0.12 0.07 0.00 -0.27 0.00 0.00 62.75 63.05 2pw3 n ILE 248 Cb 0.49 -0.81 0.19 0.00 -1.74 0.00 0.00 39.64 37.78 2pw3 n ILE 248 CO 0.00 0.00 0.00 0.49 -1.76 0.00 0.00 176.55 175.28 2pw3 n PHE 249 N -1.31 0.62 -0.20 4.28 3.72 -1.26 -4.66 117.46 118.64 2pw3 n PHE 249 Ca 0.08 -0.55 0.20 0.00 -0.05 0.00 0.00 57.45 57.13 2pw3 n PHE 249 Cb 0.16 -0.07 0.56 0.00 -0.94 0.00 0.00 39.48 39.19 2pw3 n PHE 249 CO 0.00 0.00 0.00 -0.56 -0.05 0.00 0.00 176.76 176.15 2pw3 h GLN 250 N 2.31 0.31 -0.63 -1.08 3.07 -1.81 -1.10 115.11 116.17 2pw3 h GLN 250 Ca 0.00 -0.02 0.00 0.00 0.09 0.00 0.00 58.65 58.72 2pw3 h GLN 250 Cb 0.88 -0.07 0.00 0.00 0.08 0.00 0.00 27.48 28.37 2pw3 h GLN 250 CO 0.04 0.20 0.00 0.09 0.09 0.00 0.00 178.83 179.25 2pw3 n ASN 251 N -4.46 3.77 -4.86 0.06 3.02 -1.26 -4.92 115.26 106.61 2pw3 n ASN 251 Ca 0.18 -2.20 -0.33 0.00 -0.03 0.00 0.00 54.58 52.20 2pw3 n ASN 251 Cb 0.71 -0.48 -0.06 0.00 -0.61 0.00 0.00 39.78 39.34 2pw3 n ASN 251 CO 0.00 0.00 0.00 -0.76 -2.62 0.00 0.00 177.26 173.88 2pw3 s LEU 252 N -1.34 4.17 0.74 3.41 1.02 -0.42 -4.92 118.68 121.34 2pw3 s LEU 252 Ca 0.43 1.04 -0.13 0.00 0.02 0.00 0.00 54.13 55.49 2pw3 s LEU 252 Cb 0.25 -3.71 0.04 0.00 0.02 0.00 0.00 46.19 42.80 2pw3 s LEU 252 CO 0.24 -0.07 1.12 0.42 0.02 0.00 0.00 176.35 178.08 2pw3 s THR 253 N -1.80 3.03 0.28 5.49 -4.23 -1.26 -4.73 115.64 112.42 2pw3 s THR 253 Ca 0.47 0.40 0.02 0.00 -1.18 0.00 0.00 61.69 61.41 2pw3 s THR 253 Cb -0.12 -2.86 0.27 0.00 1.34 0.00 0.00 72.50 71.13 2pw3 s THR 253 CO 0.20 -0.37 1.73 0.50 -0.54 0.00 0.00 174.62 176.14 2pw3 h LYS 254 N -0.70 0.49 -0.28 3.99 3.64 -1.97 0.68 116.57 122.41 2pw3 h LYS 254 Ca -0.45 -0.03 -0.17 0.00 -1.27 0.00 0.00 60.65 58.73 2pw3 h LYS 254 Cb 1.25 -0.11 -0.00 0.00 -0.41 0.00 0.00 32.23 32.95 2pw3 h LYS 254 CO 0.51 0.32 -0.50 0.87 -2.27 0.00 0.00 179.45 178.38 2pw3 h LYS 255 N 0.50 0.79 -0.62 1.90 1.57 -1.99 -1.86 116.57 116.86 2pw3 h LYS 255 Ca 0.52 -0.47 -0.04 0.00 -1.87 0.00 0.00 60.65 58.78 2pw3 h LYS 255 Cb 0.88 0.04 -0.03 0.00 0.08 0.00 0.00 32.23 33.20 2pw3 h LYS 255 CO -0.45 1.10 0.22 1.96 -0.57 0.00 0.00 179.45 181.71 2pw3 h GLN 256 N 0.62 0.93 -0.39 3.15 4.20 -1.39 0.19 115.11 122.41 2pw3 h GLN 256 Ca 0.02 -0.16 -0.12 0.00 0.06 0.00 0.00 58.65 58.45 2pw3 h GLN 256 Cb 1.09 -0.15 -0.01 0.00 0.30 0.00 0.00 27.48 28.70 2pw3 h GLN 256 CO 0.11 0.78 -0.21 0.00 -0.67 0.00 0.00 178.83 178.84 2pw3 h ARG 257 N 0.91 0.83 -0.48 1.46 3.08 -0.85 0.22 114.38 119.55 2pw3 h ARG 257 Ca 0.21 -0.37 -0.06 0.00 0.07 0.00 0.00 59.98 59.83 2pw3 h ARG 257 Cb 0.22 -0.02 -0.02 0.00 0.08 0.00 0.00 29.97 30.23 2pw3 h ARG 257 CO -0.01 1.01 0.08 0.37 -1.07 0.00 0.00 179.97 180.34 2pw3 h GLN 258 N 0.64 0.80 -0.13 0.04 4.15 -0.93 -1.13 115.11 118.56 2pw3 h GLN 258 Ca 0.08 -0.22 -0.01 0.00 0.77 0.00 0.00 58.65 59.28 2pw3 h GLN 258 Cb 0.77 -0.09 -0.01 0.00 0.21 0.00 0.00 27.48 28.36 2pw3 h GLN 258 CO 0.06 0.81 0.04 1.03 -1.93 0.00 0.00 178.83 178.84 2pw3 h SER 259 N 0.68 0.19 -0.35 -0.69 0.87 -0.53 -2.25 113.55 111.46 2pw3 h SER 259 Ca 0.15 -0.20 0.01 0.00 -1.23 0.00 0.00 61.79 60.52 2pw3 h SER 259 Cb 0.39 -0.05 -0.02 0.00 -0.44 0.00 0.00 62.40 62.28 2pw3 h SER 259 CO 0.01 0.34 0.21 0.25 -0.53 0.00 0.00 176.83 177.10 2pw3 h LEU 260 N 0.03 0.34 -0.51 2.23 5.85 -0.88 -1.50 115.31 120.86 2pw3 h LEU 260 Ca 0.04 0.00 0.03 0.00 0.84 0.00 0.00 57.88 58.79 2pw3 h LEU 260 Cb 0.22 -0.07 -0.04 0.00 0.37 0.00 0.00 40.66 41.14 2pw3 h LEU 260 CO -0.00 0.24 0.29 -0.09 -0.34 0.00 0.00 178.44 178.55 2pw3 h ARG 261 N 0.42 0.56 -0.31 1.25 2.43 -1.14 -0.93 114.38 116.66 2pw3 h ARG 261 Ca 0.14 -0.03 -0.01 0.00 -0.81 0.00 0.00 59.98 59.27 2pw3 h ARG 261 Cb -0.00 -0.13 -0.01 0.00 -0.42 0.00 0.00 29.97 29.41 2pw3 h ARG 261 CO -0.06 0.37 0.16 -0.22 -1.51 0.00 0.00 179.97 178.71 2pw3 h LYS 262 N 0.58 0.44 -0.42 0.20 3.64 -1.12 -1.88 116.57 118.00 2pw3 h LYS 262 Ca 0.21 -0.06 -0.01 0.00 -1.27 0.00 0.00 60.65 59.53 2pw3 h LYS 262 Cb 0.06 -0.08 -0.02 0.00 -0.41 0.00 0.00 32.23 31.78 2pw3 h LYS 262 CO -0.11 0.39 0.24 0.52 -2.27 0.00 0.00 179.45 178.21 2pw3 h MET 263 N 0.37 0.59 -0.54 1.90 2.86 -0.96 -1.09 114.93 118.05 2pw3 h MET 263 Ca 0.11 -0.06 -0.01 0.00 -2.06 0.00 0.00 59.70 57.68 2pw3 h MET 263 Cb 0.09 -0.12 -0.03 0.00 0.06 0.00 0.00 31.60 31.60 2pw3 h MET 263 CO -0.02 0.46 0.31 0.28 1.06 0.00 0.00 176.91 179.01 2pw3 h VAL 264 N 0.55 1.17 -0.41 -2.22 2.07 -1.06 0.01 116.25 116.37 2pw3 h VAL 264 Ca 0.15 -0.40 -0.02 0.00 0.82 0.00 0.00 66.70 67.25 2pw3 h VAL 264 Cb 0.04 0.46 -0.02 0.00 -1.52 0.00 0.00 31.29 30.25 2pw3 h VAL 264 CO -0.03 0.18 0.19 0.40 0.02 0.00 0.00 177.57 178.34 2pw3 h ILE 265 N 0.73 1.18 -0.70 4.57 2.04 -1.17 -0.45 117.51 123.70 2pw3 h ILE 265 Ca 0.19 -0.50 0.04 0.00 1.00 0.00 0.00 64.86 65.59 2pw3 h ILE 265 Cb 0.01 0.75 -0.05 0.00 -0.74 0.00 0.00 36.82 36.80 2pw3 h ILE 265 CO -0.03 0.19 0.43 0.44 0.00 0.00 0.00 178.15 179.18 2pw3 h ASP 266 N 0.52 0.69 0.21 1.72 3.45 -0.78 -1.60 116.42 120.64 2pw3 h ASP 266 Ca 0.14 0.01 -0.01 0.00 0.43 0.00 0.00 57.03 57.60 2pw3 h ASP 266 Cb 0.12 -0.14 0.00 0.00 -0.56 0.00 0.00 39.33 38.75 2pw3 h ASP 266 CO -0.02 0.47 -0.10 0.40 -1.57 0.00 0.00 179.24 178.43 2pw3 h ILE 267 N 0.83 0.86 -0.81 0.35 2.04 -0.68 -3.06 117.51 117.03 2pw3 h ILE 267 Ca 0.29 -0.78 -0.04 0.00 1.00 0.00 0.00 64.86 65.32 2pw3 h ILE 267 Cb 0.05 1.29 -0.04 0.00 -0.74 0.00 0.00 36.82 37.39 2pw3 h ILE 267 CO -0.12 0.16 0.35 0.58 0.00 0.00 0.00 178.15 179.12 2pw3 h VAL 268 N -0.70 1.26 0.00 1.67 2.07 -1.04 -1.60 116.25 117.91 2pw3 h VAL 268 Ca -0.03 -0.78 -0.01 0.00 0.82 0.00 0.00 66.70 66.70 2pw3 h VAL 268 Cb 0.49 0.26 -0.00 0.00 -1.52 0.00 0.00 31.29 30.52 2pw3 h VAL 268 CO 0.05 0.32 -0.07 -0.07 0.02 0.00 0.00 177.57 177.83 2pw3 h LEU 269 N 1.16 0.00 0.00 2.57 3.38 -1.38 -1.37 115.31 119.68 2pw3 h LEU 269 Ca 0.27 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.24 2pw3 h LEU 269 Cb 0.17 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.92 2pw3 h LEU 269 CO -0.03 0.07 0.00 0.00 0.09 0.00 0.00 178.44 178.57 2pw3 n ALA 270 N -2.40 2.04 1.11 1.53 0.00 -0.60 -2.79 120.51 119.40 2pw3 n ALA 270 Ca -0.03 -0.09 0.14 0.00 0.00 0.00 0.00 53.44 53.46 2pw3 n ALA 270 Cb 0.15 -1.35 0.56 0.00 0.00 0.00 0.00 19.45 18.82 2pw3 n ALA 270 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.50 177.75 2pw3 n THR 271 N -1.41 0.00 -1.70 0.00 -2.24 -0.52 -4.81 114.28 103.61 2pw3 n THR 271 Ca 0.07 -0.01 -0.43 0.00 -2.27 0.00 0.00 64.05 61.42 2pw3 n THR 271 Cb 0.22 -0.29 -0.03 0.00 -2.10 0.00 0.00 70.33 68.12 2pw3 n THR 271 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 2pw3 s ASP 272 N -2.87 5.98 0.63 3.42 -1.08 -1.12 -4.85 116.67 116.79 2pw3 s ASP 272 Ca 0.17 2.18 0.32 0.00 -0.52 0.00 0.00 52.55 54.71 2pw3 s ASP 272 Cb 0.19 -2.52 1.77 0.00 -1.46 0.00 0.00 42.92 40.90 2pw3 s ASP 272 CO 0.55 -1.50 2.07 0.24 0.52 0.00 0.00 175.17 177.05 2pw3 h MET 273 N 12.65 0.00 0.00 4.34 2.86 -1.92 0.79 114.93 133.65 2pw3 h MET 273 Ca -0.44 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.20 2pw3 h MET 273 Cb 1.23 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.89 2pw3 h MET 273 CO 0.96 0.00 0.00 -1.13 1.06 0.00 0.00 176.91 177.80 2pw3 n SER 274 N -3.37 0.00 -0.63 1.22 3.41 -1.26 -1.90 113.62 111.10 2pw3 n SER 274 Ca 0.00 0.38 0.07 0.00 -0.26 0.00 0.00 58.87 59.07 2pw3 n SER 274 Cb 0.33 -0.44 0.09 0.00 -0.26 0.00 0.00 64.21 63.93 2pw3 n SER 274 CO 0.00 0.00 0.00 0.29 -0.16 0.00 0.00 175.04 175.17 2pw3 n LYS 275 N -1.44 1.38 0.01 4.33 5.02 0.27 -4.70 118.16 123.03 2pw3 n LYS 275 Ca 0.05 -1.54 -0.10 0.00 -2.02 0.00 0.00 58.31 54.71 2pw3 n LYS 275 Cb 0.16 -1.29 -0.03 0.00 -0.02 0.00 0.00 35.03 33.85 2pw3 n LYS 275 CO 0.00 0.00 0.00 1.25 -0.52 0.00 0.00 177.40 178.13 2pw3 h HIS 276 N 2.78 -0.43 -0.97 2.13 2.76 -1.43 -1.25 115.15 118.73 2pw3 h HIS 276 Ca 0.00 0.02 0.01 0.00 -2.20 0.00 0.00 60.37 58.21 2pw3 h HIS 276 Cb 0.64 0.21 -0.05 0.00 1.55 0.00 0.00 27.41 29.76 2pw3 h HIS 276 CO 0.06 -0.24 0.64 0.52 -1.30 0.00 0.00 177.93 177.61 2pw3 h MET 277 N -0.22 1.26 -0.22 5.26 2.86 -1.84 0.74 114.93 122.77 2pw3 h MET 277 Ca 0.09 -0.08 -0.19 0.00 -2.06 0.00 0.00 59.70 57.46 2pw3 h MET 277 Cb 0.35 -0.28 0.00 0.00 0.06 0.00 0.00 31.60 31.73 2pw3 h MET 277 CO -0.24 0.83 -0.63 -0.91 1.06 0.00 0.00 176.91 177.03 2pw3 h ASN 278 N 1.30 0.88 -0.65 1.22 2.35 -1.86 -1.13 115.58 117.70 2pw3 h ASN 278 Ca 0.36 -0.51 -0.04 0.00 -0.55 0.00 0.00 56.30 55.55 2pw3 h ASN 278 Cb -0.13 -0.26 -0.03 0.00 0.05 0.00 0.00 38.32 37.96 2pw3 h ASN 278 CO -0.08 1.29 0.23 0.25 -1.65 0.00 0.00 177.43 177.47 2pw3 h LEU 279 N 0.58 0.92 -0.33 1.61 5.85 -0.84 -1.45 115.31 121.64 2pw3 h LEU 279 Ca -0.01 -0.19 -0.10 0.00 0.84 0.00 0.00 57.88 58.42 2pw3 h LEU 279 Cb 1.23 -0.24 -0.01 0.00 0.37 0.00 0.00 40.66 42.01 2pw3 h LEU 279 CO 0.13 0.86 -0.18 0.25 -0.34 0.00 0.00 178.44 179.17 2pw3 h LEU 280 N 0.92 0.73 -0.76 2.25 5.85 -0.83 -1.87 115.31 121.60 2pw3 h LEU 280 Ca 0.21 -0.41 0.07 0.00 0.84 0.00 0.00 57.88 58.59 2pw3 h LEU 280 Cb 0.25 -0.20 -0.06 0.00 0.37 0.00 0.00 40.66 41.02 2pw3 h LEU 280 CO -0.01 0.98 0.43 0.00 -0.34 0.00 0.00 178.44 179.50 2pw3 h ALA 281 N 0.77 1.04 0.00 1.25 0.00 -0.96 -0.50 119.26 120.87 2pw3 h ALA 281 Ca 0.07 0.02 -0.12 0.00 0.00 0.00 0.00 54.91 54.88 2pw3 h ALA 281 Cb 0.71 -0.14 -0.02 0.00 0.00 0.00 0.00 17.79 18.34 2pw3 h ALA 281 CO 0.05 0.11 -0.59 -0.44 0.00 0.00 0.00 179.25 178.38 2pw3 h ASP 282 N 0.77 0.00 -0.36 0.00 3.32 -1.19 -2.60 116.42 116.37 2pw3 h ASP 282 Ca 0.35 0.00 -0.06 0.00 0.02 0.00 0.00 57.03 57.34 2pw3 h ASP 282 Cb 0.24 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 39.78 2pw3 h ASP 282 CO -0.20 0.59 -0.02 0.25 -1.72 0.00 0.00 179.24 178.14 2pw3 h LEU 283 N 0.00 0.63 -0.60 1.55 5.85 -0.38 -1.92 115.31 120.44 2pw3 h LEU 283 Ca -0.01 -0.32 0.03 0.00 0.84 0.00 0.00 57.88 58.43 2pw3 h LEU 283 Cb 1.09 -0.17 -0.04 0.00 0.37 0.00 0.00 40.66 41.91 2pw3 h LEU 283 CO 0.08 0.80 0.36 0.11 -0.34 0.00 0.00 178.44 179.44 2pw3 h LYS 284 N 0.45 0.68 -0.74 1.25 1.57 -1.03 -1.16 116.57 117.59 2pw3 h LYS 284 Ca 0.10 -0.04 0.07 0.00 -1.87 0.00 0.00 60.65 58.90 2pw3 h LYS 284 Cb 0.49 -0.15 -0.06 0.00 0.08 0.00 0.00 32.23 32.58 2pw3 h LYS 284 CO 0.02 0.45 0.43 1.15 -0.57 0.00 0.00 179.45 180.93 2pw3 h THR 285 N 0.70 0.98 -0.69 -0.16 2.02 -1.21 -0.64 112.91 113.92 2pw3 h THR 285 Ca 0.24 -0.27 -0.03 0.00 0.77 0.00 0.00 66.41 67.12 2pw3 h THR 285 Cb 0.04 0.13 -0.03 0.00 -1.74 0.00 0.00 68.15 66.56 2pw3 h THR 285 CO -0.11 0.14 0.29 -0.03 0.37 0.00 0.00 175.52 176.18 2pw3 h MET 286 N 0.78 1.01 -0.69 6.66 1.85 -0.53 -2.83 114.93 121.18 2pw3 h MET 286 Ca 0.33 -0.17 -0.04 0.00 -0.61 0.00 0.00 59.70 59.21 2pw3 h MET 286 Cb 0.21 -0.17 -0.03 0.00 0.43 0.00 0.00 31.60 32.04 2pw3 h MET 286 CO -0.19 0.83 0.27 0.28 -0.40 0.00 0.00 176.91 177.69 2pw3 h VAL 287 N 0.97 1.25 0.00 -5.77 2.07 -0.34 0.10 116.25 114.52 2pw3 h VAL 287 Ca 0.23 -0.78 -0.01 0.00 0.82 0.00 0.00 66.70 66.95 2pw3 h VAL 287 Cb 0.18 0.46 -0.00 0.00 -1.52 0.00 0.00 31.29 30.41 2pw3 h VAL 287 CO -0.02 0.31 -0.07 -0.33 0.02 0.00 0.00 177.57 177.48 2pw3 h GLU 288 N 0.99 0.00 -0.15 1.57 5.08 -0.91 -2.74 114.58 118.41 2pw3 h GLU 288 Ca 0.23 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.59 2pw3 h GLU 288 Cb 0.22 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.47 2pw3 h GLU 288 CO -0.02 0.07 0.00 0.25 -1.00 0.00 0.00 179.01 178.31 2pw3 n THR 289 N -4.24 1.17 -1.40 1.13 -2.24 -1.05 -5.06 114.28 102.59 2pw3 n THR 289 Ca -0.03 -1.17 -0.36 0.00 -2.27 0.00 0.00 64.05 60.23 2pw3 n THR 289 Cb 0.15 0.38 0.08 0.00 -2.10 0.00 0.00 70.33 68.85 2pw3 n THR 289 CO 0.00 0.00 0.00 2.29 -0.57 0.00 0.00 175.07 176.79 2pw3 n LYS 290 N -0.18 0.57 -4.00 -0.78 2.85 0.33 -5.03 118.16 111.91 2pw3 n LYS 290 Ca 0.07 0.25 -0.18 0.00 -1.05 0.00 0.00 58.31 57.41 2pw3 n LYS 290 Cb 0.40 -2.24 -0.16 0.00 -0.65 0.00 0.00 35.03 32.38 2pw3 n LYS 290 CO 0.00 0.00 0.00 0.15 -0.05 0.00 0.00 177.40 177.50 2pw3 s LYS 291 N -3.30 0.44 0.34 -1.58 1.02 -1.26 -5.06 119.74 110.34 2pw3 s LYS 291 Ca 0.74 0.01 0.04 0.00 0.02 0.00 0.00 55.97 56.78 2pw3 s LYS 291 Cb -0.35 -0.56 -0.06 0.00 -0.52 0.00 0.00 37.83 36.33 2pw3 s LYS 291 CO 0.49 -0.10 0.05 0.14 -0.92 0.00 0.00 175.35 175.01 2pw3 s VAL 292 N 0.90 1.29 0.87 3.17 -7.23 -1.26 -0.89 120.40 117.25 2pw3 s VAL 292 Ca -0.10 -2.00 -0.10 0.00 -1.81 0.00 0.00 61.98 57.97 2pw3 s VAL 292 Cb -0.13 -2.81 0.18 0.00 0.56 0.00 0.00 36.38 34.18 2pw3 s VAL 292 CO -0.01 0.00 1.20 0.42 -0.31 0.00 0.00 175.10 176.40 2pw3 s THR 293 N -3.21 2.04 0.44 5.32 -4.23 -0.16 -4.88 115.64 110.96 2pw3 s THR 293 Ca 0.36 -0.25 0.10 0.00 -1.18 0.00 0.00 61.69 60.72 2pw3 s THR 293 Cb 0.09 -2.79 0.26 0.00 1.34 0.00 0.00 72.50 71.39 2pw3 s THR 293 CO 0.16 0.00 2.07 -1.28 -0.54 0.00 0.00 174.62 175.03 2pw3 h SER 294 N -1.22 0.29 0.11 3.99 0.87 -2.02 -0.99 113.55 114.59 2pw3 h SER 294 Ca -0.41 -0.01 0.00 0.00 -1.23 0.00 0.00 61.79 60.14 2pw3 h SER 294 Cb 1.24 -0.07 0.00 0.00 -0.44 0.00 0.00 62.40 63.13 2pw3 h SER 294 CO 0.37 0.23 -0.05 -1.20 -0.53 0.00 0.00 176.83 175.66 2pw3 n SER 295 N -4.48 0.77 0.00 6.23 7.64 -1.26 -4.92 113.62 117.61 2pw3 n SER 295 Ca 0.01 -1.06 0.00 0.00 1.01 0.00 0.00 58.87 58.83 2pw3 n SER 295 Cb 0.09 -0.01 0.00 0.00 -1.01 0.00 0.00 64.21 63.28 2pw3 n SER 295 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2pw3 n GLY 296 N 1.17 0.69 3.72 0.23 0.00 -0.37 -5.02 105.19 105.60 2pw3 n GLY 296 Ca 0.19 -0.52 -0.39 0.00 0.00 0.00 0.00 46.02 45.30 2pw3 n GLY 296 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2pw3 s VAL 297 N -2.00 5.09 0.34 1.61 1.01 -1.26 -4.60 120.40 120.59 2pw3 s VAL 297 Ca 0.00 1.28 -0.29 0.00 0.00 0.00 0.00 61.98 62.98 2pw3 s VAL 297 Cb 0.00 -3.97 -0.11 0.00 0.00 0.00 0.00 36.38 32.30 2pw3 s VAL 297 CO 0.00 0.28 1.48 -0.22 0.00 0.00 0.00 175.10 176.63 2pw3 s LEU 298 N 0.74 4.35 -0.34 3.92 2.96 0.14 -0.99 118.68 129.46 2pw3 s LEU 298 Ca 0.34 2.95 -0.07 0.00 -0.22 0.00 0.00 54.13 57.12 2pw3 s LEU 298 Cb -0.17 -3.66 0.04 0.00 0.50 0.00 0.00 46.19 42.90 2pw3 s LEU 298 CO 0.16 -0.82 0.12 -0.76 -1.32 0.00 0.00 176.35 173.73 2pw3 s LEU 299 N -1.60 4.37 -0.04 -0.68 1.43 -0.07 -4.90 118.68 117.19 2pw3 s LEU 299 Ca 0.55 -1.10 -0.02 0.00 -1.03 0.00 0.00 54.13 52.53 2pw3 s LEU 299 Cb -0.45 -1.90 -0.04 0.00 0.03 0.00 0.00 46.19 43.83 2pw3 s LEU 299 CO 0.57 -0.33 0.07 -0.76 0.23 0.00 0.00 176.35 176.13 2pw3 s LEU 300 N 1.43 3.89 -0.01 1.79 1.43 -1.26 -4.62 118.68 121.32 2pw3 s LEU 300 Ca -0.01 0.19 0.14 0.00 -1.03 0.00 0.00 54.13 53.42 2pw3 s LEU 300 Cb -0.19 -2.13 -0.20 0.00 0.03 0.00 0.00 46.19 43.69 2pw3 s LEU 300 CO 0.03 0.32 0.40 -0.67 0.23 0.00 0.00 176.35 176.66 2pw3 n ASP 301 N 1.52 1.38 -2.34 2.29 2.03 -1.26 -5.02 116.55 115.15 2pw3 n ASP 301 Ca -0.15 -0.25 -0.06 0.00 0.52 0.00 0.00 54.79 54.84 2pw3 n ASP 301 Cb 0.53 1.46 0.02 0.00 -0.72 0.00 0.00 41.12 42.41 2pw3 n ASP 301 CO 0.00 0.00 0.00 -0.46 -1.92 0.00 0.00 177.20 174.82 2pw3 n ASN 302 N -1.80 -1.68 -0.34 1.67 0.23 -1.26 -5.03 115.26 107.06 2pw3 n ASN 302 Ca -0.01 -2.14 -0.03 0.00 -0.53 0.00 0.00 54.58 51.86 2pw3 n ASN 302 Cb 0.33 2.79 0.09 0.00 -2.08 0.00 0.00 39.78 40.91 2pw3 n ASN 302 CO 0.00 0.00 0.00 0.22 -0.93 0.00 0.00 177.26 176.55 2pw3 h TYR 303 N 1.73 1.17 -0.47 -2.53 3.20 -1.98 -1.42 116.97 116.67 2pw3 h TYR 303 Ca -0.25 0.01 0.08 0.00 3.14 0.00 0.00 58.73 61.71 2pw3 h TYR 303 Cb 0.91 -0.39 -0.06 0.00 1.54 0.00 0.00 36.73 38.73 2pw3 h TYR 303 CO 0.00 0.76 0.10 1.03 -1.64 0.00 0.00 178.16 178.41 2pw3 h SER 304 N 1.24 0.02 -0.23 -2.11 0.87 -1.99 0.29 113.55 111.64 2pw3 h SER 304 Ca 0.33 0.08 -0.04 0.00 -1.23 0.00 0.00 61.79 60.93 2pw3 h SER 304 Cb -0.10 0.11 -0.01 0.00 -0.44 0.00 0.00 62.40 61.96 2pw3 h SER 304 CO -0.07 0.04 -0.02 0.44 -0.53 0.00 0.00 176.83 176.69 2pw3 h ASP 305 N 0.24 0.42 -0.61 6.23 3.32 -1.86 -1.88 116.42 122.27 2pw3 h ASP 305 Ca 0.23 -0.33 -0.06 0.00 0.02 0.00 0.00 57.03 56.89 2pw3 h ASP 305 Cb 0.30 -0.11 -0.03 0.00 0.22 0.00 0.00 39.33 39.71 2pw3 h ASP 305 CO -0.30 0.65 0.15 0.03 -1.72 0.00 0.00 179.24 178.05 2pw3 h ARG 306 N 0.18 0.98 -0.10 3.56 3.08 -0.79 -2.20 114.38 119.09 2pw3 h ARG 306 Ca 0.06 -0.23 -0.16 0.00 0.07 0.00 0.00 59.98 59.72 2pw3 h ARG 306 Cb 0.45 -0.13 -0.01 0.00 0.08 0.00 0.00 29.97 30.36 2pw3 h ARG 306 CO 0.02 0.89 -0.62 0.97 -1.07 0.00 0.00 179.97 180.16 2pw3 h ILE 307 N 0.90 1.37 -0.41 2.04 6.09 -0.47 -2.14 117.51 124.88 2pw3 h ILE 307 Ca 0.19 -1.97 -0.02 0.00 -1.37 0.00 0.00 64.86 61.69 2pw3 h ILE 307 Cb 0.35 1.97 -0.02 0.00 0.47 0.00 0.00 36.82 39.59 2pw3 h ILE 307 CO 0.00 0.59 0.17 -0.61 -3.07 0.00 0.00 178.15 175.24 2pw3 h GLN 308 N 0.27 0.61 -0.68 2.19 4.15 -1.20 0.25 115.11 120.70 2pw3 h GLN 308 Ca -0.01 -0.11 -0.06 0.00 0.77 0.00 0.00 58.65 59.25 2pw3 h GLN 308 Cb 1.15 -0.10 -0.03 0.00 0.21 0.00 0.00 27.48 28.71 2pw3 h GLN 308 CO 0.10 0.56 0.20 0.28 -1.93 0.00 0.00 178.83 178.04 2pw3 h VAL 309 N 0.52 1.25 -0.31 2.39 2.07 -1.34 -1.69 116.25 119.15 2pw3 h VAL 309 Ca 0.14 -0.88 -0.13 0.00 0.82 0.00 0.00 66.70 66.65 2pw3 h VAL 309 Cb 0.17 0.52 -0.01 0.00 -1.52 0.00 0.00 31.29 30.45 2pw3 h VAL 309 CO -0.01 0.34 -0.36 -0.07 0.02 0.00 0.00 177.57 177.49 2pw3 h LEU 310 N 1.00 0.73 -0.24 2.57 3.38 -0.89 0.16 115.31 122.03 2pw3 h LEU 310 Ca 0.22 -0.31 -0.02 0.00 0.09 0.00 0.00 57.88 57.86 2pw3 h LEU 310 Cb 0.30 -0.20 -0.01 0.00 0.09 0.00 0.00 40.66 40.84 2pw3 h LEU 310 CO -0.01 1.02 0.07 1.56 0.09 0.00 0.00 178.44 181.17 2pw3 h GLN 311 N 0.58 0.37 -0.34 1.13 4.20 -0.24 -1.64 115.11 119.17 2pw3 h GLN 311 Ca 0.06 -0.08 -0.09 0.00 0.06 0.00 0.00 58.65 58.59 2pw3 h GLN 311 Cb 0.88 -0.05 -0.02 0.00 0.30 0.00 0.00 27.48 28.60 2pw3 h GLN 311 CO 0.08 0.46 -0.17 -0.91 -0.67 0.00 0.00 178.83 177.61 2pw3 h ASN 312 N 0.21 0.62 0.28 1.46 2.35 -1.20 -0.77 115.58 118.54 2pw3 h ASN 312 Ca 0.08 -0.19 -0.01 0.00 -0.55 0.00 0.00 56.30 55.62 2pw3 h ASN 312 Cb 0.25 -0.17 0.00 0.00 0.05 0.00 0.00 38.32 38.45 2pw3 h ASN 312 CO -0.00 0.81 -0.14 -0.03 -1.65 0.00 0.00 177.43 176.42 2pw3 h MET 313 N 0.56 -0.36 -0.22 0.81 4.05 -0.45 0.16 114.93 119.48 2pw3 h MET 313 Ca 0.09 0.02 -0.08 0.00 -0.28 0.00 0.00 59.70 59.46 2pw3 h MET 313 Cb 0.62 0.08 -0.01 0.00 -0.80 0.00 0.00 31.60 31.49 2pw3 h MET 313 CO 0.04 -0.22 -0.19 0.28 0.23 0.00 0.00 176.91 177.05 2pw3 h VAL 314 N -0.40 1.23 -0.54 -5.77 2.07 -1.21 -0.64 116.25 110.99 2pw3 h VAL 314 Ca -0.04 -1.08 -0.08 0.00 0.82 0.00 0.00 66.70 66.32 2pw3 h VAL 314 Cb 0.31 1.27 -0.02 0.00 -1.52 0.00 0.00 31.29 31.33 2pw3 h VAL 314 CO 0.06 0.34 0.01 -0.74 0.02 0.00 0.00 177.57 177.26 2pw3 h HIS 315 N 0.36 1.03 -0.75 1.57 6.17 -0.84 -0.25 115.15 122.43 2pw3 h HIS 315 Ca 0.06 -0.17 -0.05 0.00 0.71 0.00 0.00 60.37 60.91 2pw3 h HIS 315 Cb 0.54 -0.27 -0.03 0.00 2.52 0.00 0.00 27.41 30.17 2pw3 h HIS 315 CO 0.01 0.94 0.25 0.00 0.71 0.00 0.00 177.93 179.85 2pw3 h ALA 317 N 1.13 1.08 -0.11 0.00 0.00 -0.76 -1.29 119.26 119.32 2pw3 h ALA 317 Ca 0.24 -0.21 -0.08 0.00 0.00 0.00 0.00 54.91 54.86 2pw3 h ALA 317 Cb 0.28 -0.27 -0.01 0.00 0.00 0.00 0.00 17.79 17.78 2pw3 h ALA 317 CO -0.01 0.63 -0.30 0.22 0.00 0.00 0.00 179.25 179.79 2pw3 h ASP 318 N 1.03 0.20 -0.85 0.00 3.58 -0.58 -2.82 116.42 116.99 2pw3 h ASP 318 Ca 0.23 -0.07 -0.56 0.00 0.42 0.00 0.00 57.03 57.05 2pw3 h ASP 318 Cb 0.28 -0.06 -0.30 0.00 1.72 0.00 0.00 39.33 40.97 2pw3 h ASP 318 CO -0.01 0.50 0.28 0.18 -2.88 0.00 0.00 179.24 177.32 2pw3 n LEU 319 N -4.13 6.40 -0.16 2.28 4.77 -0.53 -4.62 117.00 121.01 2pw3 n LEU 319 Ca -0.01 -4.26 0.11 0.00 -0.03 0.00 0.00 56.01 51.81 2pw3 n LEU 319 Cb 0.39 -0.75 0.04 0.00 -2.33 0.00 0.00 43.42 40.77 2pw3 n LEU 319 CO 0.40 1.56 0.23 -1.54 -1.33 0.00 0.00 177.39 176.71 2pw3 n SER 320 N -0.92 1.18 -0.17 -1.43 3.41 -0.55 -4.56 113.62 110.58 2pw3 n SER 320 Ca 0.54 -0.98 -0.03 0.00 -0.26 0.00 0.00 58.87 58.13 2pw3 n SER 320 Cb 0.91 0.61 0.03 0.00 -0.26 0.00 0.00 64.21 65.50 2pw3 n SER 320 CO 0.00 0.00 0.00 0.78 -0.16 0.00 0.00 175.04 175.66 2pw3 h ASN 321 N 0.80 -0.67 0.20 4.04 -0.26 -1.82 -0.35 115.58 117.52 2pw3 h ASN 321 Ca 0.00 0.18 0.00 0.00 -0.56 0.00 0.00 56.30 55.92 2pw3 h ASN 321 Cb 0.57 0.39 0.00 0.00 -1.06 0.00 0.00 38.32 38.22 2pw3 h ASN 321 CO 0.00 -0.22 0.00 -2.65 -1.06 0.00 0.00 177.43 173.50 2pw3 n PRO 322 N -5.40 0.09 -0.08 0.81 -0.02 -1.26 -1.97 135.00 127.16 2pw3 n PRO 322 Ca 0.05 0.50 0.12 0.00 -2.02 0.00 0.00 63.50 62.15 2pw3 n PRO 322 Cb 0.31 -1.73 0.18 0.00 -0.02 0.00 0.00 33.50 32.23 2pw3 n PRO 322 CO 0.00 0.00 0.00 0.25 1.98 0.00 0.00 175.50 177.73 2pw3 n THR 323 N -1.91 0.21 -2.84 3.45 -2.24 -0.15 -4.15 114.28 106.65 2pw3 n THR 323 Ca 0.00 -0.58 -0.22 0.00 -2.27 0.00 0.00 64.05 60.98 2pw3 n THR 323 Cb 0.08 1.21 0.02 0.00 -2.10 0.00 0.00 70.33 69.54 2pw3 n THR 323 CO 0.00 0.00 0.00 -0.54 -0.57 0.00 0.00 175.07 173.96 2pw3 s LYS 324 N -1.79 2.85 0.29 -0.78 -0.14 -0.83 -4.53 119.74 114.80 2pw3 s LYS 324 Ca 0.33 -0.61 -0.28 0.00 -1.36 0.00 0.00 55.97 54.05 2pw3 s LYS 324 Cb 0.21 -2.53 -0.14 0.00 -1.68 0.00 0.00 37.83 33.69 2pw3 s LYS 324 CO 0.31 -0.45 1.07 -2.30 -0.76 0.00 0.00 175.35 173.22 2pw3 n PRO 325 N -2.19 1.46 -0.33 -1.68 -0.02 -1.26 -4.52 135.00 126.47 2pw3 n PRO 325 Ca 0.04 0.51 0.19 0.00 -2.02 0.00 0.00 63.50 62.23 2pw3 n PRO 325 Cb 0.58 -1.93 0.41 0.00 -0.02 0.00 0.00 33.50 32.54 2pw3 n PRO 325 CO 0.00 0.00 0.00 1.25 1.98 0.00 0.00 175.50 178.73 2pw3 h LEU 326 N 2.24 0.47 -1.03 2.45 5.85 -1.94 0.98 115.31 124.32 2pw3 h LEU 326 Ca -0.41 0.17 0.08 0.00 0.84 0.00 0.00 57.88 58.57 2pw3 h LEU 326 Cb 1.33 0.13 -0.07 0.00 0.37 0.00 0.00 40.66 42.42 2pw3 h LEU 326 CO 0.62 -0.06 0.64 -0.61 -0.34 0.00 0.00 178.44 178.69 2pw3 h GLN 327 N 0.39 1.09 0.01 1.25 4.15 -2.00 0.56 115.11 120.55 2pw3 h GLN 327 Ca 0.67 -0.07 -0.10 0.00 0.77 0.00 0.00 58.65 59.93 2pw3 h GLN 327 Cb 1.41 -0.24 0.01 0.00 0.21 0.00 0.00 27.48 28.86 2pw3 h GLN 327 CO -0.57 0.72 -0.38 -0.07 -1.93 0.00 0.00 178.83 176.60 2pw3 h LEU 328 N 1.12 0.32 -0.54 -2.39 3.38 -1.18 -3.14 115.31 112.88 2pw3 h LEU 328 Ca 0.45 -0.79 0.09 0.00 0.09 0.00 0.00 57.88 57.71 2pw3 h LEU 328 Cb 0.25 -0.10 -0.07 0.00 0.09 0.00 0.00 40.66 40.84 2pw3 h LEU 328 CO -0.19 1.07 0.16 0.22 0.09 0.00 0.00 178.44 179.79 2pw3 h TYR 329 N -0.40 0.28 -0.53 1.13 3.20 -0.88 -1.06 116.97 118.72 2pw3 h TYR 329 Ca -0.05 0.03 -0.02 0.00 3.14 0.00 0.00 58.73 61.83 2pw3 h TYR 329 Cb 1.13 -0.04 -0.03 0.00 1.54 0.00 0.00 36.73 39.33 2pw3 h TYR 329 CO 0.17 0.05 0.22 0.00 -1.64 0.00 0.00 178.16 176.97 2pw3 h ARG 330 N 0.32 0.75 -0.52 1.82 3.08 -0.99 -0.26 114.38 118.58 2pw3 h ARG 330 Ca 0.27 -0.10 -0.10 0.00 0.07 0.00 0.00 59.98 60.12 2pw3 h ARG 330 Cb 0.34 -0.14 -0.02 0.00 0.08 0.00 0.00 29.97 30.23 2pw3 h ARG 330 CO -0.31 0.61 -0.08 1.96 -1.07 0.00 0.00 179.97 181.08 2pw3 h GLN 331 N 0.75 0.97 -0.69 0.04 4.20 -1.22 -1.04 115.11 118.12 2pw3 h GLN 331 Ca 0.18 -0.35 -0.06 0.00 0.06 0.00 0.00 58.65 58.49 2pw3 h GLN 331 Cb 0.13 -0.07 -0.03 0.00 0.30 0.00 0.00 27.48 27.81 2pw3 h GLN 331 CO -0.02 1.02 0.21 -1.49 -0.67 0.00 0.00 178.83 177.88 2pw3 h TRP 332 N 0.84 1.12 -0.44 2.96 -0.00 -0.62 -1.88 115.95 117.94 2pw3 h TRP 332 Ca 0.14 -0.12 -0.04 0.00 -0.00 0.00 0.00 58.89 58.87 2pw3 h TRP 332 Cb 0.63 -0.32 -0.02 0.00 -0.00 0.00 0.00 29.16 29.45 2pw3 h TRP 332 CO 0.05 0.90 0.11 1.15 -0.00 0.00 0.00 178.44 180.65 2pw3 h THR 333 N 1.02 1.23 -0.89 1.49 2.02 -0.85 -0.88 112.91 116.04 2pw3 h THR 333 Ca 0.22 -0.79 0.02 0.00 0.77 0.00 0.00 66.41 66.64 2pw3 h THR 333 Cb 0.31 0.91 -0.05 0.00 -1.74 0.00 0.00 68.15 67.58 2pw3 h THR 333 CO -0.01 0.28 0.59 0.44 0.37 0.00 0.00 175.52 177.19 2pw3 h ASP 334 N 0.57 1.00 -0.26 4.18 3.32 -1.02 -1.20 116.42 123.01 2pw3 h ASP 334 Ca 0.14 -0.02 -0.05 0.00 0.02 0.00 0.00 57.03 57.12 2pw3 h ASP 334 Cb 0.30 -0.24 -0.01 0.00 0.22 0.00 0.00 39.33 39.61 2pw3 h ASP 334 CO -0.00 0.71 -0.02 0.03 -1.72 0.00 0.00 179.24 178.23 2pw3 h ARG 335 N 1.17 0.48 -0.15 3.56 3.08 -0.99 -2.39 114.38 119.14 2pw3 h ARG 335 Ca 0.34 -0.16 -0.12 0.00 0.07 0.00 0.00 59.98 60.11 2pw3 h ARG 335 Cb -0.08 -0.04 -0.01 0.00 0.08 0.00 0.00 29.97 29.93 2pw3 h ARG 335 CO -0.09 0.66 -0.43 0.97 -1.07 0.00 0.00 179.97 180.01 2pw3 h ILE 336 N 0.24 1.31 -0.52 2.04 2.10 -0.98 -2.32 117.51 119.39 2pw3 h ILE 336 Ca 0.07 -1.59 -0.08 0.00 1.08 0.00 0.00 64.86 64.34 2pw3 h ILE 336 Cb 0.47 1.67 -0.02 0.00 -1.09 0.00 0.00 36.82 37.85 2pw3 h ILE 336 CO 0.02 0.48 -0.00 0.24 -1.08 0.00 0.00 178.15 177.81 2pw3 h MET 337 N 0.29 0.87 -0.37 2.19 2.86 -1.18 0.62 114.93 120.21 2pw3 h MET 337 Ca 0.02 -0.25 -0.02 0.00 -2.06 0.00 0.00 59.70 57.39 2pw3 h MET 337 Cb 0.88 -0.09 -0.02 0.00 0.06 0.00 0.00 31.60 32.43 2pw3 h MET 337 CO 0.07 0.87 0.15 1.49 1.06 0.00 0.00 176.91 180.55 2pw3 h GLU 338 N 0.81 0.56 -0.64 1.72 4.81 -1.16 0.35 114.58 121.03 2pw3 h GLU 338 Ca 0.15 -0.10 -0.02 0.00 -0.13 0.00 0.00 59.36 59.26 2pw3 h GLU 338 Cb 0.49 -0.09 -0.03 0.00 0.63 0.00 0.00 28.75 29.75 2pw3 h GLU 338 CO 0.02 0.54 0.32 1.49 -0.73 0.00 0.00 179.01 180.65 2pw3 h GLU 339 N 0.46 0.91 -0.16 1.92 4.81 -1.03 -2.18 114.58 119.31 2pw3 h GLU 339 Ca 0.12 -0.13 -0.00 0.00 -0.13 0.00 0.00 59.36 59.22 2pw3 h GLU 339 Cb 0.19 -0.17 -0.01 0.00 0.63 0.00 0.00 28.75 29.40 2pw3 h GLU 339 CO -0.01 0.72 0.08 0.74 -0.73 0.00 0.00 179.01 179.81 2pw3 h PHE 340 N 0.88 0.23 -0.76 0.92 0.04 -0.57 -2.41 116.94 115.26 2pw3 h PHE 340 Ca 0.22 -0.01 0.01 0.00 2.80 0.00 0.00 57.97 61.00 2pw3 h PHE 340 Cb 0.10 -0.07 -0.04 0.00 2.20 0.00 0.00 35.95 38.14 2pw3 h PHE 340 CO -0.00 0.25 0.50 0.74 -0.60 0.00 0.00 178.31 179.20 2pw3 h PHE 341 N 0.14 0.94 -0.23 -0.55 0.04 -0.78 0.27 116.94 116.78 2pw3 h PHE 341 Ca 0.06 0.02 -0.08 0.00 2.80 0.00 0.00 57.97 60.77 2pw3 h PHE 341 Cb 0.10 -0.32 -0.01 0.00 2.20 0.00 0.00 35.95 37.92 2pw3 h PHE 341 CO -0.03 0.58 -0.19 0.00 -0.60 0.00 0.00 178.31 178.07 2pw3 h ARG 342 N 1.00 0.40 -0.23 1.51 3.08 -1.17 -0.41 114.38 118.57 2pw3 h ARG 342 Ca 0.28 -0.13 -0.19 0.00 0.07 0.00 0.00 59.98 60.01 2pw3 h ARG 342 Cb -0.08 -0.04 0.00 0.00 0.08 0.00 0.00 29.97 29.94 2pw3 h ARG 342 CO -0.07 0.58 -0.61 0.37 -1.07 0.00 0.00 179.97 179.17 2pw3 h GLN 343 N 0.37 0.83 -0.74 0.04 4.15 -0.75 -2.89 115.11 116.11 2pw3 h GLN 343 Ca 0.06 -0.58 -0.01 0.00 0.77 0.00 0.00 58.65 58.89 2pw3 h GLN 343 Cb 0.55 0.09 -0.04 0.00 0.21 0.00 0.00 27.48 28.30 2pw3 h GLN 343 CO 0.04 1.20 0.41 0.78 -1.93 0.00 0.00 178.83 179.33 2pw3 h GLY 344 N 0.58 1.10 1.22 2.39 0.00 -0.57 -0.22 103.07 107.58 2pw3 h GLY 344 Ca -0.01 -0.48 -0.04 0.00 0.00 0.00 0.00 47.33 46.80 2pw3 h GLY 344 CO 0.13 0.46 0.25 -0.55 0.00 0.00 0.00 176.54 176.84 2pw3 h ASP 345 N 1.03 0.91 -0.17 0.19 3.32 -1.01 0.78 116.42 121.48 2pw3 h ASP 345 Ca 0.26 -0.13 -0.16 0.00 0.02 0.00 0.00 57.03 57.02 2pw3 h ASP 345 Cb 0.01 -0.24 -0.01 0.00 0.22 0.00 0.00 39.33 39.32 2pw3 h ASP 345 CO -0.04 0.82 -0.45 0.03 -1.72 0.00 0.00 179.24 177.88 2pw3 h ARG 346 N 0.97 0.73 -0.48 3.56 3.08 -1.12 -1.49 114.38 119.63 2pw3 h ARG 346 Ca 0.22 -0.41 -0.09 0.00 0.07 0.00 0.00 59.98 59.78 2pw3 h ARG 346 Cb 0.21 0.03 -0.02 0.00 0.08 0.00 0.00 29.97 30.27 2pw3 h ARG 346 CO -0.02 1.03 -0.04 0.93 -1.07 0.00 0.00 179.97 180.80 2pw3 h GLU 347 N 0.59 0.87 -0.32 0.04 5.08 -0.59 -1.49 114.58 118.75 2pw3 h GLU 347 Ca 0.04 -0.30 -0.01 0.00 -1.00 0.00 0.00 59.36 58.09 2pw3 h GLU 347 Cb 1.01 -0.07 -0.01 0.00 0.50 0.00 0.00 28.75 30.18 2pw3 h GLU 347 CO 0.10 0.93 0.15 -0.09 -1.00 0.00 0.00 179.01 179.09 2pw3 h ARG 348 N 0.72 0.46 -0.64 2.33 2.43 -0.75 0.33 114.38 119.26 2pw3 h ARG 348 Ca 0.13 -0.07 -0.01 0.00 -0.81 0.00 0.00 59.98 59.22 2pw3 h ARG 348 Cb 0.56 -0.08 -0.03 0.00 -0.42 0.00 0.00 29.97 30.00 2pw3 h ARG 348 CO 0.03 0.43 0.36 1.49 -1.51 0.00 0.00 179.97 180.78 2pw3 h GLU 349 N 0.37 0.87 -0.00 0.20 4.81 -1.16 -1.13 114.58 118.54 2pw3 h GLU 349 Ca 0.11 -0.08 0.00 0.00 -0.13 0.00 0.00 59.36 59.26 2pw3 h GLU 349 Cb 0.13 -0.18 0.00 0.00 0.63 0.00 0.00 28.75 29.33 2pw3 h GLU 349 CO -0.01 0.63 -0.02 0.54 -0.73 0.00 0.00 179.01 179.41 2pw3 n ARG 350 N -4.39 0.21 -1.01 1.92 1.74 -0.57 -4.89 116.66 109.67 2pw3 n ARG 350 Ca 0.06 -0.01 -0.00 0.00 -0.77 0.00 0.00 57.85 57.13 2pw3 n ARG 350 Cb 0.09 -1.50 -0.00 0.00 -1.02 0.00 0.00 32.46 30.03 2pw3 n ARG 350 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 2pw3 n GLY 351 N 1.40 0.40 3.92 -0.13 0.00 -0.43 -5.04 105.19 105.32 2pw3 n GLY 351 Ca 0.10 -1.08 -0.26 0.00 0.00 0.00 0.00 46.02 44.79 2pw3 n GLY 351 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 2pw3 s MET 352 N -2.01 3.17 0.11 1.61 -1.94 0.11 -5.00 119.30 115.35 2pw3 s MET 352 Ca 0.00 -0.08 -0.31 0.00 -1.71 0.00 0.00 55.69 53.59 2pw3 s MET 352 Cb 0.00 -2.40 -0.07 0.00 2.01 0.00 0.00 34.83 34.37 2pw3 s MET 352 CO 0.00 -0.40 1.28 -2.00 -0.01 0.00 0.00 175.02 173.89 2pw3 s GLU 353 N -4.77 4.40 0.07 2.03 2.12 -1.26 -4.34 118.70 116.95 2pw3 s GLU 353 Ca 0.50 1.92 -0.30 0.00 0.36 0.00 0.00 54.97 57.45 2pw3 s GLU 353 Cb -0.10 -3.28 -0.05 0.00 0.26 0.00 0.00 34.13 30.95 2pw3 s GLU 353 CO 0.43 -0.29 1.12 0.42 -0.54 0.00 0.00 175.26 176.40 2pw3 s ILE 354 N 0.80 4.19 0.67 -3.70 1.01 -1.26 -4.93 121.20 117.98 2pw3 s ILE 354 Ca 0.60 1.64 -0.16 0.00 0.00 0.00 0.00 60.65 62.73 2pw3 s ILE 354 Cb -0.33 -4.05 0.01 0.00 0.01 0.00 0.00 42.46 38.10 2pw3 s ILE 354 CO 0.32 0.16 1.17 -0.44 0.00 0.00 0.00 174.94 176.15 2pw3 s SER 355 N 0.77 4.73 0.19 3.58 0.01 -1.26 -4.90 113.70 116.82 2pw3 s SER 355 Ca 0.55 2.24 -0.33 0.00 1.31 0.00 0.00 55.95 59.72 2pw3 s SER 355 Cb -0.27 -2.58 -0.15 0.00 0.21 0.00 0.00 66.02 63.23 2pw3 s SER 355 CO 0.30 -1.89 1.29 -2.65 0.41 0.00 0.00 173.24 170.70 2pw3 n PRO 356 N -2.36 1.53 -0.94 12.44 -0.02 -1.26 -1.19 135.00 143.20 2pw3 n PRO 356 Ca 0.12 0.55 0.00 0.00 -2.02 0.00 0.00 63.50 62.15 2pw3 n PRO 356 Cb 0.51 -2.13 0.00 0.00 -0.02 0.00 0.00 33.50 31.85 2pw3 n PRO 356 CO 0.00 0.00 0.00 -1.33 1.98 0.00 0.00 175.50 176.15 2pw3 n MET 357 N 2.05 -0.86 0.00 -0.52 2.81 -1.26 -4.85 117.12 114.48 2pw3 n MET 357 Ca 0.14 0.22 0.10 0.00 -1.81 0.00 0.00 57.70 56.35 2pw3 n MET 357 Cb 0.27 -3.98 0.02 0.00 -0.71 0.00 0.00 33.22 28.81 2pw3 n MET 357 CO 0.00 0.00 0.00 0.00 1.51 0.00 0.00 175.97 177.48 2pw3 s ASP 359 N -2.11 6.19 0.33 0.00 -1.08 -1.26 -3.70 116.67 115.04 2pw3 s ASP 359 Ca 0.19 -1.44 0.24 0.00 -0.52 0.00 0.00 52.55 51.01 2pw3 s ASP 359 Cb 0.16 -2.28 1.18 0.00 -1.46 0.00 0.00 42.92 40.52 2pw3 s ASP 359 CO 0.44 -1.04 1.72 0.07 0.52 0.00 0.00 175.17 176.88 2pw3 h LYS 360 N 9.11 0.00 -0.00 4.34 2.10 -1.88 -1.45 116.57 128.78 2pw3 h LYS 360 Ca -0.29 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.36 2pw3 h LYS 360 Cb 1.09 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.42 2pw3 h LYS 360 CO 1.07 0.00 -0.43 0.72 -2.00 0.00 0.00 179.45 178.81 2pw3 n HIS 361 N -2.32 0.00 -2.72 0.07 8.25 -1.26 -4.17 115.22 113.07 2pw3 n HIS 361 Ca -0.00 0.00 -0.09 0.00 -0.26 0.00 0.00 57.72 57.36 2pw3 n HIS 361 Cb 0.11 -0.18 0.05 0.00 1.12 0.00 0.00 29.99 31.09 2pw3 n HIS 361 CO 0.00 0.00 0.00 -1.71 0.64 0.00 0.00 176.34 175.27 2pw3 n ASN 362 N -1.12 0.30 -4.68 0.41 2.85 -0.60 -5.11 115.26 107.31 2pw3 n ASN 362 Ca 0.08 -2.70 -0.32 0.00 -0.11 0.00 0.00 54.58 51.53 2pw3 n ASN 362 Cb 0.34 -0.01 -0.09 0.00 1.24 0.00 0.00 39.78 41.27 2pw3 n ASN 362 CO 0.00 0.00 0.00 0.00 -2.11 0.00 0.00 177.26 175.15 2pw3 s ALA 363 N -2.00 3.27 -0.48 5.20 0.00 -0.90 -4.82 121.76 122.04 2pw3 s ALA 363 Ca 0.26 -0.96 0.04 0.00 0.00 0.00 0.00 51.96 51.30 2pw3 s ALA 363 Cb 0.43 -1.32 0.17 0.00 0.00 0.00 0.00 23.12 22.40 2pw3 s ALA 363 CO -0.01 0.65 0.38 0.43 0.00 0.00 0.00 175.76 177.20 2pw3 n SER 364 N 1.35 0.29 -0.18 0.00 7.64 -1.26 -5.01 113.62 116.45 2pw3 n SER 364 Ca -0.14 -2.56 -0.00 0.00 1.01 0.00 0.00 58.87 57.17 2pw3 n SER 364 Cb 0.53 -0.60 0.09 0.00 -1.01 0.00 0.00 64.21 63.21 2pw3 n SER 364 CO 0.00 0.00 0.00 0.58 -3.01 0.00 0.00 175.04 172.61 2pw3 h VAL 365 N 4.56 0.57 -0.19 0.44 2.07 -1.98 -0.30 116.25 121.42 2pw3 h VAL 365 Ca 0.24 -0.05 -0.01 0.00 0.82 0.00 0.00 66.70 67.70 2pw3 h VAL 365 Cb 0.87 0.41 -0.01 0.00 -1.52 0.00 0.00 31.29 31.05 2pw3 h VAL 365 CO 0.45 0.03 0.07 -0.33 0.02 0.00 0.00 177.57 177.80 2pw3 h GLU 366 N 0.15 0.30 -0.61 1.57 3.07 -1.95 -1.20 114.58 115.90 2pw3 h GLU 366 Ca 0.29 -0.06 -0.01 0.00 -0.50 0.00 0.00 59.36 59.08 2pw3 h GLU 366 Cb 0.45 -0.04 -0.03 0.00 -0.84 0.00 0.00 28.75 28.29 2pw3 h GLU 366 CO -0.46 0.39 0.33 0.87 -1.40 0.00 0.00 179.01 178.74 2pw3 h LYS 367 N 0.14 0.84 -0.70 2.33 1.57 -1.81 -2.01 116.57 116.94 2pw3 h LYS 367 Ca 0.06 -0.09 -0.06 0.00 -1.87 0.00 0.00 60.65 58.70 2pw3 h LYS 367 Cb 0.21 -0.17 -0.03 0.00 0.08 0.00 0.00 32.23 32.32 2pw3 h LYS 367 CO -0.00 0.62 0.21 0.77 -0.57 0.00 0.00 179.45 180.48 2pw3 h SER 368 N 0.85 1.02 -0.48 0.86 0.02 -0.70 -1.32 113.55 113.80 2pw3 h SER 368 Ca 0.22 -0.21 -0.07 0.00 -0.84 0.00 0.00 61.79 60.89 2pw3 h SER 368 Cb 0.03 -0.27 -0.02 0.00 0.14 0.00 0.00 62.40 62.28 2pw3 h SER 368 CO -0.04 0.96 0.02 1.56 -1.14 0.00 0.00 176.83 178.19 2pw3 h GLN 369 N 1.02 0.83 -0.69 3.45 1.08 -0.56 0.12 115.11 120.37 2pw3 h GLN 369 Ca 0.22 -0.26 -0.02 0.00 -1.45 0.00 0.00 58.65 57.15 2pw3 h GLN 369 Cb 0.31 -0.08 -0.03 0.00 -0.05 0.00 0.00 27.48 27.62 2pw3 h GLN 369 CO -0.01 0.87 0.37 0.28 -0.95 0.00 0.00 178.83 179.39 2pw3 h VAL 370 N 0.69 1.22 -0.62 -0.54 2.07 -1.21 -0.53 116.25 117.33 2pw3 h VAL 370 Ca 0.14 -0.56 -0.10 0.00 0.82 0.00 0.00 66.70 67.00 2pw3 h VAL 370 Cb 0.48 0.33 -0.02 0.00 -1.52 0.00 0.00 31.29 30.56 2pw3 h VAL 370 CO 0.02 0.24 0.00 1.23 0.02 0.00 0.00 177.57 179.09 2pw3 h GLY 371 N 0.94 1.17 1.00 2.17 0.00 -0.99 -0.18 103.07 107.20 2pw3 h GLY 371 Ca 0.24 -0.86 0.00 0.00 0.00 0.00 0.00 47.33 46.71 2pw3 h GLY 371 CO -0.04 0.79 0.40 -2.75 0.00 0.00 0.00 176.54 174.94 2pw3 h PHE 372 N 0.99 0.80 -0.18 5.60 3.57 -0.33 -0.97 116.94 126.43 2pw3 h PHE 372 Ca 0.18 0.01 -0.07 0.00 3.53 0.00 0.00 57.97 61.62 2pw3 h PHE 372 Cb 0.56 -0.27 -0.00 0.00 2.79 0.00 0.00 35.95 39.03 2pw3 h PHE 372 CO 0.04 0.53 -0.16 0.82 -2.23 0.00 0.00 178.31 177.31 2pw3 h ILE 373 N 0.85 1.33 -0.66 1.41 2.04 -0.88 -1.46 117.51 120.14 2pw3 h ILE 373 Ca 0.23 -1.30 -0.08 0.00 1.00 0.00 0.00 64.86 64.70 2pw3 h ILE 373 Cb -0.06 1.79 -0.03 0.00 -0.74 0.00 0.00 36.82 37.78 2pw3 h ILE 373 CO -0.05 0.39 0.10 0.44 0.00 0.00 0.00 178.15 179.03 2pw3 h ASP 374 N 0.08 1.06 0.35 1.72 3.32 -0.85 0.19 116.42 122.28 2pw3 h ASP 374 Ca 0.03 -0.26 -0.04 0.00 0.02 0.00 0.00 57.03 56.77 2pw3 h ASP 374 Cb 0.69 -0.28 -0.01 0.00 0.22 0.00 0.00 39.33 39.95 2pw3 h ASP 374 CO 0.04 1.05 -1.69 -1.22 -1.72 0.00 0.00 179.24 175.70 2pw3 n TYR 375 N -4.22 0.37 0.04 4.55 4.02 -0.38 -4.52 117.16 117.01 2pw3 n TYR 375 Ca 0.04 0.11 0.00 0.00 -0.01 0.00 0.00 57.90 58.04 2pw3 n TYR 375 Cb 0.30 -0.72 0.00 0.00 -0.02 0.00 0.00 39.34 38.89 2pw3 n TYR 375 CO 0.00 0.00 0.00 -0.89 -1.01 0.00 0.00 176.86 174.96 2pw3 n ILE 376 N -2.47 0.81 0.04 -0.72 2.08 -0.62 -4.78 119.36 113.69 2pw3 n ILE 376 Ca -0.06 0.27 -0.13 0.00 0.56 0.00 0.00 62.75 63.39 2pw3 n ILE 376 Cb 0.63 -1.35 -0.08 0.00 -0.75 0.00 0.00 39.64 38.09 2pw3 n ILE 376 CO 0.00 0.00 0.00 0.58 0.56 0.00 0.00 176.55 177.69 2pw3 h VAL 377 N 0.00 1.08 -0.27 1.39 2.07 -1.39 -2.84 116.25 116.29 2pw3 h VAL 377 Ca 0.00 -0.44 -0.02 0.00 0.82 0.00 0.00 66.70 67.07 2pw3 h VAL 377 Cb 0.00 1.37 -0.01 0.00 -1.52 0.00 0.00 31.29 31.13 2pw3 h VAL 377 CO 0.00 0.11 0.11 -0.74 0.02 0.00 0.00 177.57 177.07 2pw3 h HIS 378 N -0.26 0.41 -0.96 1.57 -0.00 -0.87 -0.97 115.15 114.07 2pw3 h HIS 378 Ca -0.01 -0.03 0.09 0.00 -0.00 0.00 0.00 60.37 60.42 2pw3 h HIS 378 Cb 0.23 -0.12 -0.07 0.00 -0.00 0.00 0.00 27.41 27.45 2pw3 h HIS 378 CO -0.01 0.41 0.60 -1.35 -0.00 0.00 0.00 177.93 177.59 2pw3 h PRO 379 N 0.29 1.00 0.33 5.26 0.11 -1.75 0.88 132.00 138.12 2pw3 h PRO 379 Ca 0.09 -0.06 -0.02 0.00 0.11 0.00 0.00 66.00 66.12 2pw3 h PRO 379 Cb 0.18 -0.22 0.00 0.00 0.11 0.00 0.00 31.00 31.06 2pw3 h PRO 379 CO -0.01 0.66 -0.16 1.25 -0.21 0.00 0.00 178.00 179.53 2pw3 h LEU 380 N 1.03 -0.38 -1.38 2.35 5.85 -1.25 -3.01 115.31 118.52 2pw3 h LEU 380 Ca 0.44 -0.15 -0.06 0.00 0.84 0.00 0.00 57.88 58.95 2pw3 h LEU 380 Cb 0.31 0.10 -0.01 0.00 0.37 0.00 0.00 40.66 41.43 2pw3 h LEU 380 CO -0.22 -0.03 -0.26 -0.50 -0.34 0.00 0.00 178.44 177.09 2pw3 h TRP 381 N -0.76 0.08 -0.38 1.25 4.06 -0.92 -1.26 115.95 118.02 2pw3 h TRP 381 Ca -0.05 -0.01 -0.08 0.00 2.06 0.00 0.00 58.89 60.81 2pw3 h TRP 381 Cb 0.51 -0.02 -0.02 0.00 -1.00 0.00 0.00 29.16 28.63 2pw3 h TRP 381 CO 0.02 0.33 -0.10 1.49 -3.56 0.00 0.00 178.44 176.62 2pw3 h GLU 382 N 0.07 0.66 -0.14 0.49 4.81 -0.88 0.13 114.58 119.71 2pw3 h GLU 382 Ca 0.01 -0.20 -0.11 0.00 -0.13 0.00 0.00 59.36 58.93 2pw3 h GLU 382 Cb 0.50 -0.06 0.00 0.00 0.63 0.00 0.00 28.75 29.82 2pw3 h GLU 382 CO 0.04 0.75 -0.33 1.15 -0.73 0.00 0.00 179.01 179.88 2pw3 h THR 383 N 0.60 1.36 -0.76 0.32 2.02 -1.28 -2.42 112.91 112.75 2pw3 h THR 383 Ca 0.11 -1.60 -0.02 0.00 0.77 0.00 0.00 66.41 65.66 2pw3 h THR 383 Cb 0.53 2.02 -0.04 0.00 -1.74 0.00 0.00 68.15 68.92 2pw3 h THR 383 CO 0.03 0.48 0.38 -0.25 0.37 0.00 0.00 175.52 176.53 2pw3 h TRP 384 N 0.09 1.08 -0.72 3.16 2.91 -1.04 -1.93 115.95 119.50 2pw3 h TRP 384 Ca -0.00 -0.04 0.04 0.00 1.13 0.00 0.00 58.89 60.02 2pw3 h TRP 384 Cb 0.93 -0.34 -0.05 0.00 -0.51 0.00 0.00 29.16 29.20 2pw3 h TRP 384 CO 0.10 0.77 0.44 0.00 -1.03 0.00 0.00 178.44 178.73 2pw3 h ALA 385 N 1.34 0.95 -0.47 2.65 0.00 -0.63 -1.72 119.26 121.38 2pw3 h ALA 385 Ca 0.27 -0.02 -0.09 0.00 0.00 0.00 0.00 54.91 55.07 2pw3 h ALA 385 Cb 0.09 -0.22 -0.02 0.00 0.00 0.00 0.00 17.79 17.64 2pw3 h ALA 385 CO -0.04 0.21 -0.08 -0.44 0.00 0.00 0.00 179.25 178.90 2pw3 h ASP 386 N 0.86 0.81 -0.86 0.00 3.32 -0.96 0.42 116.42 120.00 2pw3 h ASP 386 Ca 0.29 -0.23 -0.02 0.00 0.02 0.00 0.00 57.03 57.09 2pw3 h ASP 386 Cb 0.05 -0.22 -0.04 0.00 0.22 0.00 0.00 39.33 39.35 2pw3 h ASP 386 CO -0.12 0.92 0.46 0.25 -1.72 0.00 0.00 179.24 179.02 2pw3 h LEU 387 N 0.75 1.09 -3.23 1.55 5.85 -0.58 -2.94 115.31 117.82 2pw3 h LEU 387 Ca 0.13 -0.11 0.00 0.00 0.84 0.00 0.00 57.88 58.74 2pw3 h LEU 387 Cb 0.56 -0.28 0.00 0.00 0.37 0.00 0.00 40.66 41.31 2pw3 h LEU 387 CO 0.03 0.89 0.00 1.33 -0.34 0.00 0.00 178.44 180.36 2pw3 n VAL 388 N -4.34 2.13 -1.51 1.05 0.24 -0.73 -4.92 118.33 110.25 2pw3 n VAL 388 Ca 0.09 -1.69 -0.58 0.00 -2.04 0.00 0.00 64.34 60.12 2pw3 n VAL 388 Cb 0.11 -0.13 -0.08 0.00 -1.47 0.00 0.00 33.84 32.27 2pw3 n VAL 388 CO 0.00 0.00 0.00 1.57 -2.14 0.00 0.00 176.83 176.26 2pw3 n HIS 389 N -0.21 0.70 -1.26 6.34 -0.00 0.15 -1.15 115.22 119.78 2pw3 n HIS 389 Ca 0.21 1.02 -0.04 0.00 -0.00 0.00 0.00 57.72 58.90 2pw3 n HIS 389 Cb 0.85 -2.11 0.22 0.00 -0.00 0.00 0.00 29.99 28.96 2pw3 n HIS 389 CO 0.00 0.00 0.00 -0.35 -0.00 0.00 0.00 176.34 175.99 2pw3 n PRO 390 N 1.58 2.39 0.32 1.57 -0.04 -1.26 -4.99 135.00 134.57 2pw3 n PRO 390 Ca 0.20 -3.07 0.20 0.00 -0.04 0.00 0.00 63.50 60.79 2pw3 n PRO 390 Cb 0.09 -1.93 1.10 0.00 -0.04 0.00 0.00 33.50 32.73 2pw3 n PRO 390 CO 0.00 0.00 0.00 -0.44 -0.04 0.00 0.00 175.50 175.02 2pw3 h ASP 391 N 1.39 0.00 -0.51 3.54 3.32 -1.42 -2.33 116.42 120.41 2pw3 h ASP 391 Ca 0.23 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.28 2pw3 h ASP 391 Cb 1.87 0.00 0.00 0.00 0.22 0.00 0.00 39.33 41.42 2pw3 h ASP 391 CO 0.50 0.00 0.00 0.00 -1.72 0.00 0.00 179.24 178.02 2pw3 n ALA 392 N -2.17 2.41 -0.19 3.45 0.00 -1.26 -4.58 120.51 118.17 2pw3 n ALA 392 Ca -0.03 -1.10 -0.01 0.00 0.00 0.00 0.00 53.44 52.30 2pw3 n ALA 392 Cb 0.08 -0.90 0.09 0.00 0.00 0.00 0.00 19.45 18.72 2pw3 n ALA 392 CO 0.00 0.00 0.00 0.37 0.00 0.00 0.00 177.50 177.87 2pw3 h GLN 393 N 4.46 0.34 -0.84 0.00 5.75 -1.77 -0.83 115.11 122.23 2pw3 h GLN 393 Ca 0.00 -0.02 -0.01 0.00 -0.15 0.00 0.00 58.65 58.47 2pw3 h GLN 393 Cb 1.00 -0.08 -0.04 0.00 1.07 0.00 0.00 27.48 29.43 2pw3 h GLN 393 CO 0.00 0.23 0.49 -0.44 -2.65 0.00 0.00 178.83 176.46 2pw3 h ASP 394 N 0.35 1.01 -0.38 -0.69 3.32 -1.83 0.13 116.42 118.34 2pw3 h ASP 394 Ca 0.28 -0.07 -0.03 0.00 0.02 0.00 0.00 57.03 57.23 2pw3 h ASP 394 Cb 0.35 -0.26 -0.02 0.00 0.22 0.00 0.00 39.33 39.63 2pw3 h ASP 394 CO -0.31 0.79 0.11 0.40 -1.72 0.00 0.00 179.24 178.52 2pw3 h ILE 395 N 1.15 1.22 -0.61 0.35 2.04 -1.70 -1.87 117.51 118.09 2pw3 h ILE 395 Ca 0.30 -0.73 -0.05 0.00 1.00 0.00 0.00 64.86 65.38 2pw3 h ILE 395 Cb -0.03 0.98 -0.03 0.00 -0.74 0.00 0.00 36.82 37.00 2pw3 h ILE 395 CO -0.05 0.25 0.16 0.25 0.00 0.00 0.00 178.15 178.76 2pw3 h LEU 396 N 0.46 0.87 -0.61 1.44 5.85 -0.73 -1.91 115.31 120.67 2pw3 h LEU 396 Ca 0.12 -0.16 -0.03 0.00 0.84 0.00 0.00 57.88 58.65 2pw3 h LEU 396 Cb 0.28 -0.23 -0.03 0.00 0.37 0.00 0.00 40.66 41.05 2pw3 h LEU 396 CO -0.00 0.83 0.26 0.44 -0.34 0.00 0.00 178.44 179.64 2pw3 h ASP 397 N 0.90 0.83 -0.63 1.25 3.32 -0.48 -1.65 116.42 119.96 2pw3 h ASP 397 Ca 0.20 -0.16 -0.04 0.00 0.02 0.00 0.00 57.03 57.05 2pw3 h ASP 397 Cb 0.30 -0.22 -0.03 0.00 0.22 0.00 0.00 39.33 39.60 2pw3 h ASP 397 CO -0.00 0.76 0.26 0.74 -1.72 0.00 0.00 179.24 179.27 2pw3 h THR 398 N 0.85 1.23 -0.64 0.35 2.02 -1.01 -1.20 112.91 114.52 2pw3 h THR 398 Ca 0.21 -0.72 0.02 0.00 0.77 0.00 0.00 66.41 66.68 2pw3 h THR 398 Cb 0.17 0.53 -0.04 0.00 -1.74 0.00 0.00 68.15 67.08 2pw3 h THR 398 CO -0.02 0.28 0.41 0.25 0.37 0.00 0.00 175.52 176.82 2pw3 h LEU 399 N 0.88 0.70 -0.91 2.58 5.85 -1.03 -0.64 115.31 122.75 2pw3 h LEU 399 Ca 0.21 -0.01 -0.11 0.00 0.84 0.00 0.00 57.88 58.81 2pw3 h LEU 399 Cb 0.20 -0.16 -0.01 0.00 0.37 0.00 0.00 40.66 41.05 2pw3 h LEU 399 CO -0.02 0.50 -0.36 -0.33 -0.34 0.00 0.00 178.44 177.89 2pw3 h GLU 400 N 0.83 0.37 -0.46 1.25 5.08 -1.02 -1.26 114.58 119.36 2pw3 h GLU 400 Ca 0.24 -0.16 -0.10 0.00 -1.00 0.00 0.00 59.36 58.34 2pw3 h GLU 400 Cb -0.05 -0.01 -0.01 0.00 0.50 0.00 0.00 28.75 29.18 2pw3 h GLU 400 CO -0.07 0.68 -0.10 -0.44 -1.00 0.00 0.00 179.01 178.07 2pw3 h ASP 401 N 0.31 0.89 0.11 1.42 3.32 -0.66 -2.04 116.42 119.77 2pw3 h ASP 401 Ca 0.04 -0.36 -0.11 0.00 0.02 0.00 0.00 57.03 56.62 2pw3 h ASP 401 Cb 0.78 -0.24 -0.01 0.00 0.22 0.00 0.00 39.33 40.07 2pw3 h ASP 401 CO 0.06 1.04 -0.36 0.78 -1.72 0.00 0.00 179.24 179.05 2pw3 h ASN 402 N 0.73 0.36 -0.27 6.45 2.35 -0.88 -1.40 115.58 122.92 2pw3 h ASN 402 Ca 0.12 -0.14 -0.04 0.00 -0.55 0.00 0.00 56.30 55.69 2pw3 h ASN 402 Cb 0.65 -0.10 -0.01 0.00 0.05 0.00 0.00 38.32 38.91 2pw3 h ASN 402 CO 0.04 0.70 0.01 -0.09 -1.65 0.00 0.00 177.43 176.44 2pw3 h ARG 403 N 0.30 0.46 -0.91 0.81 1.12 -1.09 -0.85 114.38 114.21 2pw3 h ARG 403 Ca 0.03 -0.14 -0.02 0.00 -1.11 0.00 0.00 59.98 58.75 2pw3 h ARG 403 Cb 0.77 -0.05 -0.04 0.00 -0.01 0.00 0.00 29.97 30.64 2pw3 h ARG 403 CO 0.06 0.61 0.51 1.49 -3.11 0.00 0.00 179.97 179.53 2pw3 h GLU 404 N 0.25 1.27 0.04 0.20 4.81 -1.16 -1.38 114.58 118.61 2pw3 h GLU 404 Ca 0.08 -0.14 -0.00 0.00 -0.13 0.00 0.00 59.36 59.16 2pw3 h GLU 404 Cb 0.40 -0.25 0.00 0.00 0.63 0.00 0.00 28.75 29.52 2pw3 h GLU 404 CO 0.01 0.92 -0.02 2.35 -0.73 0.00 0.00 179.01 181.54 2pw3 h TRP 405 N 1.28 -0.05 -0.96 0.92 7.01 -1.05 -2.01 115.95 121.08 2pw3 h TRP 405 Ca 0.32 -0.00 0.05 0.00 2.11 0.00 0.00 58.89 61.38 2pw3 h TRP 405 Cb 0.01 0.02 -0.06 0.00 -2.10 0.00 0.00 29.16 27.03 2pw3 h TRP 405 CO 0.01 0.30 0.63 1.88 -2.79 0.00 0.00 178.44 178.47 2pw3 h TYR 406 N -0.41 1.16 -0.69 2.65 0.05 -1.02 -1.11 116.97 117.60 2pw3 h TYR 406 Ca -0.01 0.03 -0.03 0.00 0.05 0.00 0.00 58.73 58.77 2pw3 h TYR 406 Cb 0.37 -0.38 -0.03 0.00 1.01 0.00 0.00 36.73 37.70 2pw3 h TYR 406 CO 0.04 0.63 0.31 0.37 -1.05 0.00 0.00 178.16 178.46 2pw3 h GLN 407 N 1.16 0.99 0.00 4.88 5.75 -1.17 -1.97 115.11 124.75 2pw3 h GLN 407 Ca 0.40 -0.15 0.00 0.00 -0.15 0.00 0.00 58.65 58.76 2pw3 h GLN 407 Cb 0.11 -0.18 0.00 0.00 1.07 0.00 0.00 27.48 28.48 2pw3 h GLN 407 CO -0.14 0.79 0.00 0.66 -2.65 0.00 0.00 178.83 177.48 2pw3 h SER 408 N 0.98 0.00 0.27 -0.69 4.64 -0.44 -1.86 113.55 116.46 2pw3 h SER 408 Ca 0.24 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.56 2pw3 h SER 408 Cb 0.14 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.23 2pw3 h SER 408 CO -0.03 0.00 -0.02 0.35 -0.87 0.00 0.00 176.83 176.26 2pw3 n THR 409 N -3.07 0.00 -3.34 2.95 -2.24 -0.74 -4.66 114.28 103.17 2pw3 n THR 409 Ca -0.00 -0.03 -0.41 0.00 -2.27 0.00 0.00 64.05 61.34 2pw3 n THR 409 Cb 0.23 -0.35 -0.09 0.00 -2.10 0.00 0.00 70.33 68.03 2pw3 n THR 409 CO 0.00 0.00 0.00 -0.63 -0.57 0.00 0.00 175.07 173.87 2pw3 s ILE 410 N -2.30 5.11 0.91 2.28 1.01 -0.70 -5.06 121.20 122.46 2pw3 s ILE 410 Ca 0.37 0.23 -0.15 0.00 0.00 0.00 0.00 60.65 61.09 2pw3 s ILE 410 Cb 0.21 -3.86 0.23 0.00 0.01 0.00 0.00 42.46 39.05 2pw3 s ILE 410 CO 0.42 -0.11 0.67 -2.65 0.00 0.00 0.00 174.94 173.27 2pw3 n PRO 411 N 5.51 -3.19 -0.80 2.79 -0.02 -1.26 -5.04 135.00 132.98 2pw3 n PRO 411 Ca -0.07 -1.09 0.00 0.00 -2.02 0.00 0.00 63.50 60.32 2pw3 n PRO 411 Cb 0.49 -1.19 0.00 0.00 -0.02 0.00 0.00 33.50 32.78 2pw3 n PRO 411 CO 0.00 0.00 0.00 1.04 1.98 0.00 0.00 175.50 178.52