#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1pff h ALA 66 N 0.00 0.57 -0.12 -1.46 0.00 -2.01 0.27 119.26 116.50 1pff h ALA 66 Ca 0.00 -0.09 -0.00 0.00 0.00 0.00 0.00 54.91 54.81 1pff h ALA 66 Cb 0.00 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 17.61 1pff h ALA 66 CO 0.00 0.10 0.07 1.25 0.00 0.00 0.00 179.25 180.67 1pff h LEU 67 N 0.57 0.15 -0.97 0.00 5.85 -1.99 -2.50 115.31 116.42 1pff h LEU 67 Ca 0.15 -0.08 0.01 0.00 0.84 0.00 0.00 57.88 58.81 1pff h LEU 67 Cb 0.08 -0.04 -0.05 0.00 0.37 0.00 0.00 40.66 41.02 1pff h LEU 67 CO -0.02 0.19 0.64 -0.33 -0.34 0.00 0.00 178.44 178.58 1pff h GLU 68 N 0.11 1.26 -0.66 1.25 5.08 -1.85 -0.94 114.58 118.83 1pff h GLU 68 Ca 0.04 -0.08 -0.04 0.00 -1.00 0.00 0.00 59.36 58.29 1pff h GLU 68 Cb 0.07 -0.29 -0.03 0.00 0.50 0.00 0.00 28.75 29.00 1pff h GLU 68 CO -0.01 0.84 0.25 0.78 -1.00 0.00 0.00 179.01 179.87 1pff h GLY 69 N 1.30 1.08 0.90 -3.84 0.00 -0.86 -0.36 103.07 101.29 1pff h GLY 69 Ca 0.36 -0.60 -0.02 0.00 0.00 0.00 0.00 47.33 47.07 1pff h GLY 69 CO -0.09 0.56 0.10 0.50 0.00 0.00 0.00 176.54 177.62 1pff h LYS 70 N 0.94 0.42 -0.45 4.80 1.57 -0.95 -2.41 116.57 120.50 1pff h LYS 70 Ca 0.22 -0.08 -0.12 0.00 -1.87 0.00 0.00 60.65 58.80 1pff h LYS 70 Cb 0.23 -0.06 -0.01 0.00 0.08 0.00 0.00 32.23 32.47 1pff h LYS 70 CO -0.01 0.47 -0.17 0.82 -0.57 0.00 0.00 179.45 179.98 1pff h ILE 71 N 0.29 1.27 -0.44 1.86 1.08 -1.05 -1.66 117.51 118.87 1pff h ILE 71 Ca 0.09 -1.32 0.06 0.00 -0.39 0.00 0.00 64.86 63.30 1pff h ILE 71 Cb 0.22 1.18 -0.05 0.00 -3.07 0.00 0.00 36.82 35.09 1pff h ILE 71 CO -0.00 0.45 0.12 0.00 -0.69 0.00 0.00 178.15 178.03 1pff h ALA 72 N 0.85 0.50 -0.52 1.87 0.00 -1.06 0.12 119.26 121.02 1pff h ALA 72 Ca 0.10 0.07 0.00 0.00 0.00 0.00 0.00 54.91 55.09 1pff h ALA 72 Cb 0.74 0.07 -0.03 0.00 0.00 0.00 0.00 17.79 18.57 1pff h ALA 72 CO 0.06 -0.27 0.33 0.87 0.00 0.00 0.00 179.25 180.23 1pff h LYS 73 N 0.27 0.69 -0.49 0.00 1.57 -1.28 0.22 116.57 117.56 1pff h LYS 73 Ca 0.21 -0.05 0.00 0.00 -1.87 0.00 0.00 60.65 58.94 1pff h LYS 73 Cb 0.23 -0.15 -0.02 0.00 0.08 0.00 0.00 32.23 32.37 1pff h LYS 73 CO -0.24 0.48 0.32 -0.07 -0.57 0.00 0.00 179.45 179.37 1pff h LEU 74 N 0.69 0.56 -2.16 2.94 3.38 -0.63 -2.50 115.31 117.61 1pff h LEU 74 Ca 0.19 -0.02 0.00 0.00 0.09 0.00 0.00 57.88 58.14 1pff h LEU 74 Cb -0.04 -0.14 0.00 0.00 0.09 0.00 0.00 40.66 40.57 1pff h LEU 74 CO -0.04 0.41 0.00 -0.62 0.09 0.00 0.00 178.44 178.28 1pff n GLU 75 N -4.46 2.40 -3.40 1.13 -0.58 -0.03 -4.75 120.64 110.94 1pff n GLU 75 Ca 0.04 -2.12 -0.20 0.00 -0.42 0.00 0.00 57.16 54.46 1pff n GLU 75 Cb 0.05 -1.50 0.07 0.00 -0.57 0.00 0.00 31.44 29.49 1pff n GLU 75 CO 0.00 0.00 0.00 0.72 -0.48 0.00 0.00 177.13 177.37 1pff n HIS 76 N 1.31 -2.38 -4.29 -0.32 8.25 -0.53 -4.65 115.22 112.62 1pff n HIS 76 Ca 0.19 0.85 -0.27 0.00 -0.26 0.00 0.00 57.72 58.23 1pff n HIS 76 Cb 0.56 -4.38 -0.10 0.00 1.12 0.00 0.00 29.99 27.19 1pff n HIS 76 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 1pff s ALA 77 N -3.27 2.92 0.24 -1.41 0.00 0.67 -4.84 121.76 116.07 1pff s ALA 77 Ca 0.46 -1.45 -0.05 0.00 0.00 0.00 0.00 51.96 50.92 1pff s ALA 77 Cb -0.20 -0.73 0.25 0.00 0.00 0.00 0.00 23.12 22.43 1pff s ALA 77 CO 0.61 0.49 1.78 0.93 0.00 0.00 0.00 175.76 179.56 1pff h GLU 78 N 3.03 1.02 -3.39 0.00 5.08 -1.81 -3.39 114.58 115.11 1pff h GLU 78 Ca -0.47 -0.22 -0.04 0.00 -1.00 0.00 0.00 59.36 57.63 1pff h GLU 78 Cb 1.20 -0.15 -0.11 0.00 0.50 0.00 0.00 28.75 30.19 1pff h GLU 78 CO 0.53 0.89 -0.04 0.00 -1.00 0.00 0.00 179.01 179.39 1pff s ALA 79 N -5.31 -0.85 0.01 3.43 0.00 -0.56 -4.79 121.76 113.69 1pff s ALA 79 Ca -0.11 -0.21 -0.01 0.00 0.00 0.00 0.00 51.96 51.62 1pff s ALA 79 Cb 0.15 0.80 -0.01 0.00 0.00 0.00 0.00 23.12 24.06 1pff s ALA 79 CO 0.83 -0.73 0.01 0.00 0.00 0.00 0.00 175.76 175.87 1pff s ALA 81 N -1.06 2.05 0.24 0.00 0.00 0.80 -4.84 121.76 118.95 1pff s ALA 81 Ca -0.12 -1.02 -0.22 0.00 0.00 0.00 0.00 51.96 50.60 1pff s ALA 81 Cb -0.07 -1.08 -0.09 0.00 0.00 0.00 0.00 23.12 21.88 1pff s ALA 81 CO -0.00 -0.32 0.79 0.00 0.00 0.00 0.00 175.76 176.23 1pff s ALA 82 N 1.33 3.36 0.33 0.00 0.00 -1.26 -0.98 121.76 124.54 1pff s ALA 82 Ca 0.03 0.29 0.04 0.00 0.00 0.00 0.00 51.96 52.32 1pff s ALA 82 Cb -0.13 -2.94 -0.04 0.00 0.00 0.00 0.00 23.12 20.02 1pff s ALA 82 CO -0.10 0.28 0.15 0.95 0.00 0.00 0.00 175.76 177.04 1pff s THR 83 N -1.50 0.45 0.07 0.00 -4.23 -0.08 -4.24 115.64 106.11 1pff s THR 83 Ca 0.44 -2.00 0.32 0.00 -1.18 0.00 0.00 61.69 59.27 1pff s THR 83 Cb -0.18 -2.49 0.37 0.00 1.34 0.00 0.00 72.50 71.54 1pff s THR 83 CO 0.22 0.00 1.95 0.00 -0.54 0.00 0.00 174.62 176.25 1pff h ALA 84 N 2.09 1.00 -2.02 3.99 0.00 -1.06 -0.39 119.26 122.87 1pff h ALA 84 Ca -0.34 -0.02 0.20 0.00 0.00 0.00 0.00 54.91 54.75 1pff h ALA 84 Cb 1.25 -0.00 -0.13 0.00 0.00 0.00 0.00 17.79 18.91 1pff h ALA 84 CO 0.54 0.03 0.60 -1.54 0.00 0.00 0.00 179.25 178.87 1pff s SER 85 N -5.78 -0.21 0.22 0.00 1.04 -1.26 -3.28 113.70 104.44 1pff s SER 85 Ca 0.01 -0.17 -0.08 0.00 0.48 0.00 0.00 55.95 56.20 1pff s SER 85 Cb 0.09 0.34 0.27 0.00 0.10 0.00 0.00 66.02 66.82 1pff s SER 85 CO 0.56 -0.60 1.84 1.23 0.98 0.00 0.00 173.24 177.25 1pff h GLY 86 N 2.00 1.14 1.17 7.32 0.00 -1.76 -0.90 103.07 112.05 1pff h GLY 86 Ca -0.22 -0.35 -0.01 0.00 0.00 0.00 0.00 47.33 46.75 1pff h GLY 86 CO 0.27 0.25 0.45 -0.33 0.00 0.00 0.00 176.54 177.18 1pff h MET 87 N 0.89 1.09 -0.76 4.80 0.00 -1.93 -2.06 114.93 116.95 1pff h MET 87 Ca 0.33 -0.11 0.06 0.00 0.00 0.00 0.00 59.70 59.98 1pff h MET 87 Cb 0.12 -0.22 -0.06 0.00 0.00 0.00 0.00 31.60 31.44 1pff h MET 87 CO -0.15 0.78 0.45 0.78 0.00 0.00 0.00 176.91 178.77 1pff h GLY 88 N 1.13 1.14 0.92 8.32 0.00 -1.60 0.19 103.07 113.17 1pff h GLY 88 Ca 0.28 -0.32 -0.01 0.00 0.00 0.00 0.00 47.33 47.29 1pff h GLY 88 CO -0.05 0.20 0.08 0.00 0.00 0.00 0.00 176.54 176.78 1pff h ALA 89 N 1.38 0.21 0.03 3.60 0.00 -0.69 0.11 119.26 123.90 1pff h ALA 89 Ca 0.34 -0.07 -0.00 0.00 0.00 0.00 0.00 54.91 55.18 1pff h ALA 89 Cb 0.19 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 17.92 1pff h ALA 89 CO -0.18 -0.24 -0.01 0.82 0.00 0.00 0.00 179.25 179.64 1pff h ILE 90 N 0.15 1.09 -0.32 0.00 2.04 -1.14 -2.30 117.51 117.03 1pff h ILE 90 Ca 0.06 -0.36 -0.01 0.00 1.00 0.00 0.00 64.86 65.54 1pff h ILE 90 Cb 0.10 1.33 -0.01 0.00 -0.74 0.00 0.00 36.82 37.50 1pff h ILE 90 CO -0.01 0.09 0.15 0.00 0.00 0.00 0.00 178.15 178.38 1pff h ALA 91 N 0.77 0.41 0.00 1.87 0.00 -0.60 -0.76 119.26 120.96 1pff h ALA 91 Ca -0.00 -0.10 -0.02 0.00 0.00 0.00 0.00 54.91 54.78 1pff h ALA 91 Cb 0.18 -0.13 -0.00 0.00 0.00 0.00 0.00 17.79 17.84 1pff h ALA 91 CO 0.01 -0.02 -0.10 0.00 0.00 0.00 0.00 179.25 179.14 1pff h ALA 92 N 1.00 1.61 0.16 0.00 0.00 -0.77 -1.39 119.26 119.87 1pff h ALA 92 Ca 0.11 -0.09 -0.01 0.00 0.00 0.00 0.00 54.91 54.92 1pff h ALA 92 Cb 0.13 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 17.91 1pff h ALA 92 CO -0.01 0.12 -0.08 0.77 0.00 0.00 0.00 179.25 180.05 1pff h SER 93 N 0.00 -0.18 -0.18 0.00 0.02 -1.02 -3.31 113.55 108.89 1pff h SER 93 Ca -0.00 -0.24 -0.04 0.00 -0.84 0.00 0.00 61.79 60.66 1pff h SER 93 Cb 0.20 0.05 -0.01 0.00 0.14 0.00 0.00 62.40 62.78 1pff h SER 93 CO 0.01 0.38 -0.06 -0.37 -1.14 0.00 0.00 176.83 175.65 1pff h VAL 94 N -0.98 1.30 -0.12 2.27 -1.51 -0.92 -2.83 116.25 113.45 1pff h VAL 94 Ca -0.02 -1.06 -0.02 0.00 -1.23 0.00 0.00 66.70 64.37 1pff h VAL 94 Cb 0.42 1.62 -0.01 0.00 -2.13 0.00 0.00 31.29 31.19 1pff h VAL 94 CO 0.04 0.32 -0.03 -0.50 -1.23 0.00 0.00 177.57 176.16 1pff h TRP 95 N 0.06 0.17 -0.42 5.19 4.06 -1.48 -2.42 115.95 121.11 1pff h TRP 95 Ca 0.04 -0.01 -0.08 0.00 2.06 0.00 0.00 58.89 60.90 1pff h TRP 95 Cb 0.51 -0.05 -0.02 0.00 -1.00 0.00 0.00 29.16 28.60 1pff h TRP 95 CO 0.06 0.21 -0.08 1.15 -3.56 0.00 0.00 178.44 176.22 1pff h THR 96 N 0.17 1.25 -0.23 1.49 2.02 -1.59 -3.28 112.91 112.74 1pff h THR 96 Ca 0.04 -1.10 0.00 0.00 0.77 0.00 0.00 66.41 66.12 1pff h THR 96 Cb 0.18 1.02 0.00 0.00 -1.74 0.00 0.00 68.15 67.60 1pff h THR 96 CO 0.01 0.38 0.00 0.49 0.37 0.00 0.00 175.52 176.76 1pff n PHE 97 N -4.18 0.30 -3.94 3.16 3.01 -0.99 -4.97 117.46 109.85 1pff n PHE 97 Ca 0.02 -0.25 -0.22 0.00 1.01 0.00 0.00 57.45 58.00 1pff n PHE 97 Cb 0.34 -0.01 -0.05 0.00 -0.01 0.00 0.00 39.48 39.75 1pff n PHE 97 CO 0.00 0.00 0.00 -0.51 1.01 0.00 0.00 176.76 177.26 1pff s LEU 98 N -1.08 3.41 0.18 4.37 1.43 -0.95 -5.00 118.68 121.06 1pff s LEU 98 Ca 0.23 -0.66 -0.14 0.00 -1.03 0.00 0.00 54.13 52.53 1pff s LEU 98 Cb 0.13 -1.96 0.01 0.00 0.03 0.00 0.00 46.19 44.41 1pff s LEU 98 CO 0.19 -0.35 0.43 -1.59 0.23 0.00 0.00 176.35 175.26 1pff s LYS 99 N -3.93 1.30 0.20 1.70 -2.85 -1.26 -4.95 119.74 109.95 1pff s LYS 99 Ca 0.40 -0.98 -0.32 0.00 -1.00 0.00 0.00 55.97 54.06 1pff s LYS 99 Cb -0.04 0.47 -0.14 0.00 -2.06 0.00 0.00 37.83 36.05 1pff s LYS 99 CO 0.25 -0.53 1.32 0.00 0.10 0.00 0.00 175.35 176.49 1pff n ALA 100 N -0.29 0.34 -0.01 0.59 0.00 -1.26 -1.82 120.51 118.06 1pff n ALA 100 Ca -0.09 0.44 0.00 0.00 0.00 0.00 0.00 53.44 53.79 1pff n ALA 100 Cb 0.63 -2.18 0.00 0.00 0.00 0.00 0.00 19.45 17.90 1pff n ALA 100 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1pff n GLY 101 N 2.19 0.56 3.87 0.00 0.00 0.12 -4.98 105.19 106.95 1pff n GLY 101 Ca 0.13 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.86 1pff n GLY 101 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1pff s ASP 102 N -2.42 4.45 -0.02 1.61 1.11 -0.75 -4.85 116.67 115.81 1pff s ASP 102 Ca 0.00 0.91 0.03 0.00 0.18 0.00 0.00 52.55 53.68 1pff s ASP 102 Cb 0.00 -1.49 -0.00 0.00 1.07 0.00 0.00 42.92 42.49 1pff s ASP 102 CO 0.00 -1.95 -0.12 -2.28 1.18 0.00 0.00 175.17 172.00 1pff s HIS 103 N -3.45 1.13 -0.06 4.23 5.65 -0.27 -1.30 115.29 121.22 1pff s HIS 103 Ca 0.62 -0.26 0.04 0.00 0.25 0.00 0.00 55.06 55.71 1pff s HIS 103 Cb -0.12 -0.76 0.00 0.00 -1.18 0.00 0.00 32.58 30.52 1pff s HIS 103 CO 0.51 -0.07 -0.19 -1.17 -0.65 0.00 0.00 174.74 173.17 1pff s LEU 104 N -0.07 1.91 -0.22 8.88 0.20 0.35 -0.82 118.68 128.92 1pff s LEU 104 Ca 0.01 -0.41 -0.08 0.00 0.69 0.00 0.00 54.13 54.34 1pff s LEU 104 Cb -0.07 -1.09 -0.04 0.00 -0.43 0.00 0.00 46.19 44.56 1pff s LEU 104 CO 0.00 0.14 0.08 -0.63 -0.29 0.00 0.00 176.35 175.65 1pff s ILE 105 N 0.23 4.62 0.11 6.68 1.01 -0.07 -1.77 121.20 132.01 1pff s ILE 105 Ca -0.10 -0.08 0.10 0.00 0.00 0.00 0.00 60.65 60.58 1pff s ILE 105 Cb -0.14 -3.13 -0.04 0.00 0.01 0.00 0.00 42.46 39.16 1pff s ILE 105 CO 0.04 0.39 -0.25 -0.55 0.00 0.00 0.00 174.94 174.57 1pff s SER 106 N 1.05 3.45 0.71 3.58 0.15 0.30 -0.63 113.70 122.31 1pff s SER 106 Ca 0.04 -0.68 -0.15 0.00 0.70 0.00 0.00 55.95 55.87 1pff s SER 106 Cb -0.14 -0.31 0.03 0.00 -1.71 0.00 0.00 66.02 63.88 1pff s SER 106 CO 0.03 0.19 1.18 -0.62 1.20 0.00 0.00 173.24 175.22 1pff s ASP 107 N -1.96 4.47 0.00 5.45 3.68 -0.68 -0.65 116.67 126.98 1pff s ASP 107 Ca 0.15 2.25 0.28 0.00 2.13 0.00 0.00 52.55 57.36 1pff s ASP 107 Cb -0.10 -2.58 1.10 0.00 -1.45 0.00 0.00 42.92 39.89 1pff s ASP 107 CO 0.06 -2.07 1.78 -0.90 0.13 0.00 0.00 175.17 174.17 1pff n ASP 108 N -2.63 0.54 -4.20 -0.34 5.75 -0.07 -4.54 116.55 111.06 1pff n ASP 108 Ca 0.12 -0.54 -0.41 0.00 -0.01 0.00 0.00 54.79 53.96 1pff n ASP 108 Cb 0.51 -0.04 -0.05 0.00 -1.03 0.00 0.00 41.12 40.50 1pff n ASP 108 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 1pff s LEU 110 N -0.37 2.34 0.17 0.00 1.43 -1.26 -3.43 118.68 117.55 1pff s LEU 110 Ca 0.21 -0.74 -0.34 0.00 -1.03 0.00 0.00 54.13 52.23 1pff s LEU 110 Cb -0.13 -0.98 -0.14 0.00 0.03 0.00 0.00 46.19 44.96 1pff s LEU 110 CO -0.07 0.08 1.48 0.00 0.23 0.00 0.00 176.35 178.07 1pff n TYR 111 N 0.86 2.09 -0.31 0.29 9.36 -1.26 -4.77 117.16 123.41 1pff n TYR 111 Ca -0.18 0.38 0.10 0.00 3.32 0.00 0.00 57.90 61.53 1pff n TYR 111 Cb 0.54 -2.48 0.22 0.00 -0.63 0.00 0.00 39.34 36.99 1pff n TYR 111 CO 0.00 0.00 0.00 0.78 0.22 0.00 0.00 176.86 177.86 1pff h GLY 112 N 5.17 1.02 1.55 2.98 0.00 -2.00 0.01 103.07 111.80 1pff h GLY 112 Ca -0.45 0.16 -0.11 0.00 0.00 0.00 0.00 47.33 46.93 1pff h GLY 112 CO 0.83 -0.41 -0.29 0.00 0.00 0.00 0.00 176.54 176.66 1pff h THR 114 N 0.45 1.12 -0.56 0.00 2.02 -1.38 -1.43 112.91 113.13 1pff h THR 114 Ca 0.06 -0.31 0.07 0.00 0.77 0.00 0.00 66.41 66.99 1pff h THR 114 Cb 0.74 0.82 -0.06 0.00 -1.74 0.00 0.00 68.15 67.92 1pff h THR 114 CO 0.06 0.12 0.25 -0.74 0.37 0.00 0.00 175.52 175.58 1pff h HIS 115 N 0.34 0.46 -0.56 3.16 6.17 -1.14 -1.35 115.15 122.23 1pff h HIS 115 Ca 0.10 0.02 -0.07 0.00 0.71 0.00 0.00 60.37 61.13 1pff h HIS 115 Cb 0.05 -0.12 -0.02 0.00 2.52 0.00 0.00 27.41 29.84 1pff h HIS 115 CO -0.03 0.18 0.06 0.00 0.71 0.00 0.00 177.93 178.85 1pff h ALA 116 N 1.34 0.74 -0.34 5.26 0.00 -1.26 0.52 119.26 125.53 1pff h ALA 116 Ca 0.26 -0.27 0.06 0.00 0.00 0.00 0.00 54.91 54.97 1pff h ALA 116 Cb 0.24 -0.21 -0.06 0.00 0.00 0.00 0.00 17.79 17.76 1pff h ALA 116 CO -0.22 0.52 -0.03 1.25 0.00 0.00 0.00 179.25 180.77 1pff h LEU 117 N 0.83 -0.19 0.09 0.00 5.85 -0.81 -0.22 115.31 120.85 1pff h LEU 117 Ca 0.17 0.09 -0.00 0.00 0.84 0.00 0.00 57.88 58.97 1pff h LEU 117 Cb 0.46 0.16 0.00 0.00 0.37 0.00 0.00 40.66 41.65 1pff h LEU 117 CO 0.02 -0.06 -0.04 -0.26 -0.34 0.00 0.00 178.44 177.76 1pff h PHE 118 N 0.06 -0.11 -0.52 1.25 0.04 -0.96 0.16 116.94 116.86 1pff h PHE 118 Ca 0.16 -0.00 -0.10 0.00 2.80 0.00 0.00 57.97 60.83 1pff h PHE 118 Cb 0.23 0.04 -0.02 0.00 2.20 0.00 0.00 35.95 38.40 1pff h PHE 118 CO -0.26 0.39 -0.07 1.49 -0.60 0.00 0.00 178.31 179.26 1pff h GLU 119 N -0.69 0.94 0.00 1.51 4.81 0.05 -3.29 114.58 117.92 1pff h GLU 119 Ca -0.01 -0.31 -0.27 0.00 -0.13 0.00 0.00 59.36 58.63 1pff h GLU 119 Cb 0.55 -0.08 -0.04 0.00 0.63 0.00 0.00 28.75 29.81 1pff h GLU 119 CO 0.02 0.97 -1.86 0.72 -0.73 0.00 0.00 179.01 178.14 1pff n HIS 120 N -4.17 0.00 -0.05 0.92 8.25 -0.11 -4.52 115.22 115.55 1pff n HIS 120 Ca 0.02 0.00 -0.14 0.00 -0.26 0.00 0.00 57.72 57.34 1pff n HIS 120 Cb 0.37 -0.65 -0.12 0.00 1.12 0.00 0.00 29.99 30.71 1pff n HIS 120 CO 0.00 0.00 0.00 1.96 0.64 0.00 0.00 176.34 178.94 1pff h GLN 121 N -0.72 0.02 -0.44 -0.41 1.08 -1.26 -1.76 115.11 111.62 1pff h GLN 121 Ca -0.41 -0.02 0.03 0.00 -1.45 0.00 0.00 58.65 56.79 1pff h GLN 121 Cb 1.31 0.01 -0.03 0.00 -0.05 0.00 0.00 27.48 28.71 1pff h GLN 121 CO -0.25 0.83 0.23 -0.07 -0.95 0.00 0.00 178.83 178.63 1pff h LEU 122 N -0.78 0.35 -1.29 1.46 3.38 -1.06 -2.40 115.31 114.97 1pff h LEU 122 Ca -0.00 0.02 -0.03 0.00 0.09 0.00 0.00 57.88 57.95 1pff h LEU 122 Cb 0.85 -0.05 -0.02 0.00 0.09 0.00 0.00 40.66 41.52 1pff h LEU 122 CO 0.01 0.25 0.11 0.03 0.09 0.00 0.00 178.44 178.93 1pff h ARG 123 N 0.47 0.60 -0.25 1.13 3.08 -1.62 -1.36 114.38 116.43 1pff h ARG 123 Ca 0.18 -0.10 0.03 0.00 0.07 0.00 0.00 59.98 60.17 1pff h ARG 123 Cb 0.07 -0.10 -0.01 0.00 0.08 0.00 0.00 29.97 30.00 1pff h ARG 123 CO -0.11 0.54 0.17 -0.22 -1.07 0.00 0.00 179.97 179.28 1pff h LYS 124 N 0.59 0.18 -0.68 0.04 3.64 -0.80 -2.48 116.57 117.06 1pff h LYS 124 Ca 0.14 -0.01 -0.30 0.00 -1.27 0.00 0.00 60.65 59.21 1pff h LYS 124 Cb 0.20 -0.04 -0.18 0.00 -0.41 0.00 0.00 32.23 31.80 1pff h LYS 124 CO -0.01 0.12 0.28 1.19 -2.27 0.00 0.00 179.45 178.77 1pff n PHE 125 N -4.49 2.14 -1.00 1.91 3.72 -0.56 -4.93 117.46 114.25 1pff n PHE 125 Ca 0.02 -1.55 0.00 0.00 -0.05 0.00 0.00 57.45 55.87 1pff n PHE 125 Cb 0.19 -0.70 0.00 0.00 -0.94 0.00 0.00 39.48 38.03 1pff n PHE 125 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 1pff n GLY 126 N -0.87 0.43 3.71 1.37 0.00 -0.93 -4.16 105.19 104.73 1pff n GLY 126 Ca 0.44 -0.67 -0.38 0.00 0.00 0.00 0.00 46.02 45.41 1pff n GLY 126 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1pff s VAL 127 N -2.00 5.19 0.15 1.61 1.01 -0.91 -0.70 120.40 124.75 1pff s VAL 127 Ca 0.00 0.88 -0.30 0.00 0.00 0.00 0.00 61.98 62.56 1pff s VAL 127 Cb 0.00 -3.79 -0.07 0.00 0.00 0.00 0.00 36.38 32.52 1pff s VAL 127 CO 0.00 0.30 0.96 -1.61 0.00 0.00 0.00 175.10 174.75 1pff s GLU 128 N 0.87 4.73 -0.05 2.72 2.02 -0.42 -3.73 118.70 124.84 1pff s GLU 128 Ca 0.24 1.47 0.01 0.00 0.02 0.00 0.00 54.97 56.71 1pff s GLU 128 Cb -0.15 -3.35 0.02 0.00 0.10 0.00 0.00 34.13 30.75 1pff s GLU 128 CO 0.09 0.28 -0.06 0.08 0.02 0.00 0.00 175.26 175.68 1pff s VAL 129 N -0.31 0.65 -0.13 2.63 1.01 -1.26 -0.49 120.40 122.50 1pff s VAL 129 Ca 0.46 -0.18 -0.01 0.00 0.00 0.00 0.00 61.98 62.24 1pff s VAL 129 Cb -0.24 -0.65 -0.02 0.00 0.00 0.00 0.00 36.38 35.47 1pff s VAL 129 CO 0.31 0.25 -0.10 -1.81 0.00 0.00 0.00 175.10 173.75 1pff s ASP 130 N 0.89 4.28 -0.24 3.32 1.01 -0.73 -5.00 116.67 120.21 1pff s ASP 130 Ca -0.11 -0.24 -0.10 0.00 0.71 0.00 0.00 52.55 52.81 1pff s ASP 130 Cb -0.15 -1.56 -0.05 0.00 1.01 0.00 0.00 42.92 42.18 1pff s ASP 130 CO 0.01 0.20 0.14 -0.36 0.21 0.00 0.00 175.17 175.36 1pff s PHE 131 N 0.17 3.25 0.07 4.23 0.40 -1.26 -0.54 117.98 124.30 1pff s PHE 131 Ca -0.05 0.09 0.00 0.00 -0.60 0.00 0.00 56.93 56.37 1pff s PHE 131 Cb -0.15 -2.26 -0.04 0.00 0.51 0.00 0.00 43.02 41.08 1pff s PHE 131 CO 0.04 -0.03 -0.05 0.96 0.70 0.00 0.00 175.22 176.85 1pff s ILE 132 N 1.19 0.41 -0.64 0.64 -4.36 0.18 -4.82 121.20 113.80 1pff s ILE 132 Ca 0.07 -1.75 -0.28 0.00 -0.26 0.00 0.00 60.65 58.43 1pff s ILE 132 Cb -0.14 -1.44 0.03 0.00 1.25 0.00 0.00 42.46 42.16 1pff s ILE 132 CO 0.05 -0.88 1.22 -0.62 0.24 0.00 0.00 174.94 174.95 1pff s ASP 133 N -2.79 6.33 0.00 4.36 -1.08 -1.26 -0.89 116.67 121.34 1pff s ASP 133 Ca 0.06 -0.13 0.21 0.00 -0.52 0.00 0.00 52.55 52.17 1pff s ASP 133 Cb 0.05 -2.55 0.91 0.00 -1.46 0.00 0.00 42.92 39.87 1pff s ASP 133 CO -0.07 -1.62 1.67 0.23 0.52 0.00 0.00 175.17 175.90 1pff n MET 134 N 8.80 0.03 0.00 4.34 2.81 -1.26 -2.38 117.12 129.46 1pff n MET 134 Ca 0.06 0.13 0.13 0.00 -1.81 0.00 0.00 57.70 56.21 1pff n MET 134 Cb 0.49 -1.50 0.57 0.00 -0.71 0.00 0.00 33.22 32.07 1pff n MET 134 CO 0.00 0.00 0.00 0.00 1.51 0.00 0.00 175.97 177.48 1pff n ALA 135 N -1.48 2.23 -2.67 3.04 0.00 -1.26 -4.73 120.51 115.65 1pff n ALA 135 Ca 0.06 -0.09 -0.42 0.00 0.00 0.00 0.00 53.44 52.98 1pff n ALA 135 Cb 0.24 -1.44 -0.03 0.00 0.00 0.00 0.00 19.45 18.22 1pff n ALA 135 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 1pff s VAL 136 N -3.00 4.76 0.28 0.00 1.01 -1.00 -5.01 120.40 117.44 1pff s VAL 136 Ca 0.13 1.94 -0.30 0.00 0.00 0.00 0.00 61.98 63.74 1pff s VAL 136 Cb 0.18 -4.27 -0.13 0.00 0.00 0.00 0.00 36.38 32.16 1pff s VAL 136 CO 0.49 -0.07 1.45 -2.65 0.00 0.00 0.00 175.10 174.32 1pff n PRO 137 N 5.66 2.29 -0.46 2.72 -0.02 -1.26 -2.30 135.00 141.63 1pff n PRO 137 Ca 0.09 0.81 0.00 0.00 -2.02 0.00 0.00 63.50 62.38 1pff n PRO 137 Cb 0.48 -2.50 0.00 0.00 -0.02 0.00 0.00 33.50 31.46 1pff n PRO 137 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1pff n GLY 138 N 1.85 2.07 0.21 -1.23 0.00 -1.26 -4.90 105.19 101.93 1pff n GLY 138 Ca 0.09 0.00 -0.02 0.00 0.00 0.00 0.00 46.02 46.09 1pff n GLY 138 CO 0.00 0.00 0.00 -0.57 0.00 0.00 0.00 173.32 172.75 1pff h ASN 139 N 0.00 0.33 0.08 1.61 -1.24 -1.78 -1.30 115.58 113.28 1pff h ASN 139 Ca 0.00 -0.13 -0.00 0.00 0.71 0.00 0.00 56.30 56.88 1pff h ASN 139 Cb 0.00 -0.09 0.00 0.00 0.73 0.00 0.00 38.32 38.96 1pff h ASN 139 CO 0.00 0.67 -0.04 0.40 -1.29 0.00 0.00 177.43 177.17 1pff h ILE 140 N 0.28 1.15 -0.38 2.57 2.04 -1.90 -2.89 117.51 118.38 1pff h ILE 140 Ca 0.03 -0.87 -0.04 0.00 1.00 0.00 0.00 64.86 64.98 1pff h ILE 140 Cb 0.76 1.71 -0.02 0.00 -0.74 0.00 0.00 36.82 38.53 1pff h ILE 140 CO 0.06 0.21 0.05 1.05 0.00 0.00 0.00 178.15 179.52 1pff h GLU 141 N -0.51 0.58 -0.82 2.37 4.11 -1.78 -1.21 114.58 117.33 1pff h GLU 141 Ca -0.01 -0.11 0.14 0.00 0.07 0.00 0.00 59.36 59.45 1pff h GLU 141 Cb 0.43 -0.09 -0.06 0.00 0.50 0.00 0.00 28.75 29.53 1pff h GLU 141 CO 0.02 0.56 0.54 -0.22 0.07 0.00 0.00 179.01 179.98 1pff h LYS 142 N 0.56 0.55 -0.06 1.06 3.64 -1.25 -2.30 116.57 118.77 1pff h LYS 142 Ca 0.12 -0.03 0.00 0.00 -1.27 0.00 0.00 60.65 59.47 1pff h LYS 142 Cb 0.28 -0.12 0.00 0.00 -0.41 0.00 0.00 32.23 31.97 1pff h LYS 142 CO 0.00 0.37 0.00 0.72 -2.27 0.00 0.00 179.45 178.27 1pff n HIS 143 N -4.52 0.05 -1.90 1.91 8.25 -0.50 -4.96 115.22 113.56 1pff n HIS 143 Ca 0.16 -0.03 -0.41 0.00 -0.26 0.00 0.00 57.72 57.18 1pff n HIS 143 Cb 0.48 0.00 -0.02 0.00 1.12 0.00 0.00 29.99 31.57 1pff n HIS 143 CO 0.00 0.00 0.00 -0.51 0.64 0.00 0.00 176.34 176.47 1pff s LEU 144 N -1.94 4.36 0.23 2.41 1.43 -0.87 -5.02 118.68 119.29 1pff s LEU 144 Ca 0.32 2.85 0.04 0.00 -1.03 0.00 0.00 54.13 56.31 1pff s LEU 144 Cb 0.20 -3.64 -0.05 0.00 0.03 0.00 0.00 46.19 42.73 1pff s LEU 144 CO 0.31 -0.79 -0.03 -0.54 0.23 0.00 0.00 176.35 175.53 1pff s LYS 145 N -0.90 1.35 0.59 1.70 1.02 -1.26 -5.03 119.74 117.22 1pff s LYS 145 Ca 0.58 -1.67 0.29 0.00 0.02 0.00 0.00 55.97 55.19 1pff s LYS 145 Cb -0.45 -0.74 1.62 0.00 -0.52 0.00 0.00 37.83 37.74 1pff s LYS 145 CO 0.50 -0.04 2.05 -1.35 -0.92 0.00 0.00 175.35 175.59 1pff h PRO 146 N 2.47 0.00 -0.57 -1.68 0.11 -2.02 -1.54 132.00 128.77 1pff h PRO 146 Ca -0.38 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.73 1pff h PRO 146 Cb 1.22 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.33 1pff h PRO 146 CO 0.65 0.00 0.00 0.27 -0.21 0.00 0.00 178.00 178.71 1pff n ASN 147 N -3.77 3.69 -4.69 -2.05 6.94 -1.26 -4.97 115.26 109.15 1pff n ASN 147 Ca 0.03 -1.99 -0.42 0.00 -0.02 0.00 0.00 54.58 52.18 1pff n ASN 147 Cb 0.40 -0.38 -0.03 0.00 -2.36 0.00 0.00 39.78 37.41 1pff n ASN 147 CO 0.00 0.00 0.00 -0.89 -1.03 0.00 0.00 177.26 175.34 1pff s THR 148 N -1.19 2.83 -0.02 5.53 2.01 -0.58 -1.11 115.64 123.11 1pff s THR 148 Ca 0.43 0.32 0.01 0.00 0.31 0.00 0.00 61.69 62.76 1pff s THR 148 Cb 0.24 -3.20 -0.02 0.00 0.01 0.00 0.00 72.50 69.52 1pff s THR 148 CO 0.32 0.00 -0.00 -1.14 -0.69 0.00 0.00 174.62 173.10 1pff n ARG 149 N 5.57 2.53 -3.98 4.92 3.00 0.00 -4.70 116.66 124.01 1pff n ARG 149 Ca 0.16 0.00 -0.14 0.00 -0.00 0.00 0.00 57.85 57.88 1pff n ARG 149 Cb 0.40 -1.05 -0.14 0.00 0.00 0.00 0.00 32.46 31.66 1pff n ARG 149 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.63 178.05 1pff s ILE 150 N -2.05 0.16 -0.18 5.15 1.01 -1.20 -0.83 121.20 123.26 1pff s ILE 150 Ca -0.02 -0.08 0.01 0.00 0.00 0.00 0.00 60.65 60.56 1pff s ILE 150 Cb 0.01 -0.15 0.02 0.00 0.01 0.00 0.00 42.46 42.35 1pff s ILE 150 CO 0.07 0.05 -0.19 -0.69 0.00 0.00 0.00 174.94 174.18 1pff s VAL 151 N -0.01 1.97 -0.05 2.92 1.01 -0.37 -0.89 120.40 124.98 1pff s VAL 151 Ca 0.00 -0.90 0.05 0.00 0.00 0.00 0.00 61.98 61.14 1pff s VAL 151 Cb -0.01 -1.80 -0.01 0.00 0.00 0.00 0.00 36.38 34.56 1pff s VAL 151 CO -0.00 0.51 -0.21 -0.47 0.00 0.00 0.00 175.10 174.93 1pff s TYR 152 N 1.32 2.08 0.20 5.22 6.14 0.20 -0.81 117.35 131.70 1pff s TYR 152 Ca 0.05 -0.61 -0.20 0.00 0.64 0.00 0.00 57.07 56.95 1pff s TYR 152 Cb -0.13 -1.38 0.04 0.00 0.42 0.00 0.00 41.96 40.91 1pff s TYR 152 CO -0.12 -0.19 0.59 -0.59 0.64 0.00 0.00 175.55 175.87 1pff s PHE 153 N -0.08 -0.30 0.02 4.97 -0.12 -0.92 -1.69 117.98 119.86 1pff s PHE 153 Ca -0.03 -0.02 0.03 0.00 -0.05 0.00 0.00 56.93 56.86 1pff s PHE 153 Cb -0.13 0.52 -0.03 0.00 -0.63 0.00 0.00 43.02 42.75 1pff s PHE 153 CO 0.03 -0.95 -0.06 -1.21 -0.05 0.00 0.00 175.22 172.98 1pff s GLU 154 N -3.83 2.54 0.06 1.99 2.02 -1.26 -1.69 118.70 118.53 1pff s GLU 154 Ca 0.06 -0.74 0.01 0.00 0.02 0.00 0.00 54.97 54.32 1pff s GLU 154 Cb -0.02 -2.50 -0.04 0.00 0.10 0.00 0.00 34.13 31.67 1pff s GLU 154 CO -0.05 0.59 -0.05 -0.08 0.02 0.00 0.00 175.26 175.69 1pff s THR 155 N -1.04 0.47 0.00 3.63 -1.32 -1.25 -4.01 115.64 112.11 1pff s THR 155 Ca 0.18 -1.60 0.00 0.00 -1.21 0.00 0.00 61.69 59.06 1pff s THR 155 Cb -0.11 -1.25 0.00 0.00 -1.51 0.00 0.00 72.50 69.63 1pff s THR 155 CO 0.09 -0.76 0.00 -2.65 -2.21 0.00 0.00 174.62 169.09 1pff n PRO 156 N 0.50 0.00 -2.54 7.08 -0.02 -1.26 -4.52 135.00 134.24 1pff n PRO 156 Ca -0.16 0.00 -0.23 0.00 -2.02 0.00 0.00 63.50 61.08 1pff n PRO 156 Cb 0.59 0.00 0.04 0.00 -0.02 0.00 0.00 33.50 34.11 1pff n PRO 156 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1pff s ALA 157 N 0.00 3.58 0.00 3.55 0.00 0.14 -4.85 121.76 124.18 1pff s ALA 157 Ca 0.00 -1.08 0.00 0.00 0.00 0.00 0.00 51.96 50.88 1pff s ALA 157 Cb 0.00 -2.31 0.00 0.00 0.00 0.00 0.00 23.12 20.81 1pff s ALA 157 CO 0.00 -0.85 0.00 -1.71 0.00 0.00 0.00 175.76 173.20 1pff n ASN 158 N -2.50 0.00 0.17 0.00 4.05 -1.22 -1.44 115.26 114.32 1pff n ASN 158 Ca 0.06 0.00 0.06 0.00 0.45 0.00 0.00 54.58 55.15 1pff n ASN 158 Cb 0.59 0.00 0.08 0.00 1.23 0.00 0.00 39.78 41.69 1pff n ASN 158 CO 0.00 0.00 0.00 1.55 -3.05 0.00 0.00 177.26 175.76 1pff h PRO 159 N 0.00 0.00 -0.34 1.20 0.14 -1.91 -3.30 132.00 127.78 1pff h PRO 159 Ca 0.00 0.00 0.00 0.00 0.14 0.00 0.00 66.00 66.14 1pff h PRO 159 Cb 0.00 0.00 0.00 0.00 0.14 0.00 0.00 31.00 31.14 1pff h PRO 159 CO 0.00 0.35 0.00 0.25 0.14 0.00 0.00 178.00 178.74 1pff n THR 160 N -3.20 1.12 -3.54 1.56 -2.24 -1.26 -4.57 114.28 102.16 1pff n THR 160 Ca 0.02 -1.08 -0.24 0.00 -2.27 0.00 0.00 64.05 60.48 1pff n THR 160 Cb 0.66 0.43 0.07 0.00 -2.10 0.00 0.00 70.33 69.39 1pff n THR 160 CO 0.00 0.00 0.00 0.18 -0.57 0.00 0.00 175.07 174.68 1pff n LEU 161 N 0.44 -3.18 -4.73 3.22 7.99 -0.52 -4.80 117.00 115.41 1pff n LEU 161 Ca 0.13 -0.52 -0.42 0.00 -0.01 0.00 0.00 56.01 55.19 1pff n LEU 161 Cb 0.47 -2.97 -0.02 0.00 -0.11 0.00 0.00 43.42 40.79 1pff n LEU 161 CO 0.09 0.57 1.30 -0.75 -1.51 0.00 0.00 177.39 177.08 1pff s LYS 162 N -6.25 4.14 -0.14 3.23 2.20 -1.24 -4.43 119.74 117.25 1pff s LYS 162 Ca 0.55 2.56 -0.10 0.00 -0.36 0.00 0.00 55.97 58.62 1pff s LYS 162 Cb -0.25 -3.06 -0.05 0.00 -1.51 0.00 0.00 37.83 32.96 1pff s LYS 162 CO 0.68 -0.68 0.20 0.08 -0.36 0.00 0.00 175.35 175.28 1pff s VAL 163 N 0.63 5.38 -0.13 4.02 1.01 -1.26 -0.69 120.40 129.37 1pff s VAL 163 Ca 0.69 0.35 0.03 0.00 0.00 0.00 0.00 61.98 63.05 1pff s VAL 163 Cb -0.48 -3.51 0.00 0.00 0.00 0.00 0.00 36.38 32.40 1pff s VAL 163 CO 0.39 0.51 -0.22 -0.63 0.00 0.00 0.00 175.10 175.16 1pff s ILE 164 N -0.31 2.17 -0.30 2.22 1.01 -1.26 -4.80 121.20 119.93 1pff s ILE 164 Ca 0.14 -0.96 -0.28 0.00 0.00 0.00 0.00 60.65 59.55 1pff s ILE 164 Cb -0.12 -1.86 -0.02 0.00 0.01 0.00 0.00 42.46 40.46 1pff s ILE 164 CO 0.03 0.55 1.80 -0.62 0.00 0.00 0.00 174.94 176.70 1pff s ASP 165 N 0.61 5.95 0.01 3.58 3.68 -1.26 -4.89 116.67 124.34 1pff s ASP 165 Ca -0.12 1.39 -0.25 0.00 2.13 0.00 0.00 52.55 55.71 1pff s ASP 165 Cb -0.16 -2.53 -0.18 0.00 -1.45 0.00 0.00 42.92 38.59 1pff s ASP 165 CO 0.03 -1.65 1.36 0.40 0.13 0.00 0.00 175.17 175.44 1pff h ILE 166 N 6.73 1.17 -0.72 4.11 2.04 -1.97 -1.08 117.51 127.79 1pff h ILE 166 Ca -0.34 -0.80 0.11 0.00 1.00 0.00 0.00 64.86 64.82 1pff h ILE 166 Cb 1.17 1.70 -0.08 0.00 -0.74 0.00 0.00 36.82 38.87 1pff h ILE 166 CO 1.02 0.20 0.34 -0.08 0.00 0.00 0.00 178.15 179.63 1pff h GLU 167 N -0.44 0.53 -0.53 2.37 4.81 -1.90 -0.62 114.58 118.80 1pff h GLU 167 Ca -0.01 -0.03 -0.12 0.00 -0.13 0.00 0.00 59.36 59.07 1pff h GLU 167 Cb 0.39 -0.12 -0.02 0.00 0.63 0.00 0.00 28.75 29.63 1pff h GLU 167 CO 0.01 0.35 -0.12 0.22 -0.73 0.00 0.00 179.01 178.74 1pff h ASP 168 N 0.55 1.03 -0.64 1.04 3.58 -1.90 -0.64 116.42 119.44 1pff h ASP 168 Ca 0.37 -0.36 -0.01 0.00 0.42 0.00 0.00 57.03 57.45 1pff h ASP 168 Cb 0.45 -0.28 -0.03 0.00 1.72 0.00 0.00 39.33 41.19 1pff h ASP 168 CO -0.31 1.15 0.36 0.00 -2.88 0.00 0.00 179.24 177.56 1pff h ALA 169 N 0.91 0.82 -0.57 -0.78 0.00 -0.72 -2.17 119.26 116.75 1pff h ALA 169 Ca 0.13 -0.10 -0.01 0.00 0.00 0.00 0.00 54.91 54.93 1pff h ALA 169 Cb 0.70 -0.26 -0.03 0.00 0.00 0.00 0.00 17.79 18.20 1pff h ALA 169 CO 0.05 0.33 0.31 0.28 0.00 0.00 0.00 179.25 180.22 1pff h VAL 170 N 0.87 1.19 -0.95 0.00 2.07 -0.93 -1.80 116.25 116.70 1pff h VAL 170 Ca 0.23 -0.48 0.03 0.00 0.82 0.00 0.00 66.70 67.30 1pff h VAL 170 Cb 0.03 0.47 -0.05 0.00 -1.52 0.00 0.00 31.29 30.22 1pff h VAL 170 CO -0.04 0.20 0.63 0.11 0.02 0.00 0.00 177.57 178.49 1pff h LYS 171 N 0.76 1.18 -0.25 1.57 1.57 -0.86 0.01 116.57 120.56 1pff h LYS 171 Ca 0.20 -0.07 -0.06 0.00 -1.87 0.00 0.00 60.65 58.84 1pff h LYS 171 Cb 0.05 -0.27 -0.01 0.00 0.08 0.00 0.00 32.23 32.09 1pff h LYS 171 CO -0.03 0.78 -0.10 1.96 -0.57 0.00 0.00 179.45 181.49 1pff h GLN 172 N 1.22 0.51 -0.50 3.15 4.20 -1.15 -3.11 115.11 119.43 1pff h GLN 172 Ca 0.37 -0.21 0.00 0.00 0.06 0.00 0.00 58.65 58.87 1pff h GLN 172 Cb -0.02 -0.02 -0.02 0.00 0.30 0.00 0.00 27.48 27.71 1pff h GLN 172 CO -0.11 0.75 0.31 0.00 -0.67 0.00 0.00 178.83 179.12 1pff h ALA 173 N 0.74 1.61 0.00 3.87 0.00 -0.83 -2.38 119.26 122.27 1pff h ALA 173 Ca 0.06 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 54.92 1pff h ALA 173 Cb 0.59 -0.20 0.00 0.00 0.00 0.00 0.00 17.79 18.18 1pff h ALA 173 CO 0.03 0.35 0.00 0.54 0.00 0.00 0.00 179.25 180.17 1pff n ARG 174 N -4.44 0.65 0.28 0.00 5.12 -0.06 -2.42 116.66 115.79 1pff n ARG 174 Ca 0.04 0.00 0.17 0.00 -1.93 0.00 0.00 57.85 56.13 1pff n ARG 174 Cb 0.07 -1.29 0.72 0.00 -1.16 0.00 0.00 32.46 30.80 1pff n ARG 174 CO 0.00 0.00 0.00 0.87 -1.93 0.00 0.00 177.63 176.57 1pff h LYS 175 N 0.00 0.00 -5.25 5.56 1.79 -1.49 -3.45 116.57 113.73 1pff h LYS 175 Ca 0.00 0.00 -0.38 0.00 -2.18 0.00 0.00 60.65 58.09 1pff h LYS 175 Cb 0.00 0.00 -0.17 0.00 -1.58 0.00 0.00 32.23 30.48 1pff h LYS 175 CO 0.00 0.03 -0.74 -0.65 -1.08 0.00 0.00 179.45 177.01 1pff s GLN 176 N -3.75 1.04 0.60 3.15 -0.21 -1.01 -5.15 119.66 114.33 1pff s GLN 176 Ca 0.00 -1.33 -0.16 0.00 0.02 0.00 0.00 55.36 53.89 1pff s GLN 176 Cb 0.10 -0.78 -0.03 0.00 1.00 0.00 0.00 33.01 33.29 1pff s GLN 176 CO 0.54 0.13 1.06 -1.59 -2.12 0.00 0.00 175.29 173.31 1pff s LYS 177 N -3.15 3.29 -1.42 2.91 0.00 -1.26 -4.30 119.74 115.81 1pff s LYS 177 Ca 0.12 1.22 -0.09 0.00 0.00 0.00 0.00 55.97 57.22 1pff s LYS 177 Cb -0.02 -2.03 0.04 0.00 0.00 0.00 0.00 37.83 35.83 1pff s LYS 177 CO 0.02 -0.83 1.01 -0.25 0.00 0.00 0.00 175.35 175.30 1pff n ASP 178 N -2.04 -4.61 -4.56 0.03 8.00 -1.26 -4.97 116.55 107.14 1pff n ASP 178 Ca 0.09 -0.70 -0.36 0.00 0.71 0.00 0.00 54.79 54.53 1pff n ASP 178 Cb 0.53 -4.37 -0.11 0.00 -0.02 0.00 0.00 41.12 37.15 1pff n ASP 178 CO 0.00 0.00 0.00 -0.63 -0.39 0.00 0.00 177.20 176.18 1pff s ILE 179 N -3.36 4.78 -0.28 0.53 1.01 -1.26 -4.67 121.20 117.94 1pff s ILE 179 Ca 0.50 -0.02 -0.23 0.00 0.00 0.00 0.00 60.65 60.90 1pff s ILE 179 Cb -0.24 -3.21 -0.00 0.00 0.01 0.00 0.00 42.46 39.01 1pff s ILE 179 CO 0.79 0.37 0.76 -0.76 0.00 0.00 0.00 174.94 176.10 1pff s LEU 180 N 1.14 4.09 -0.21 2.97 1.43 -0.01 -4.95 118.68 123.13 1pff s LEU 180 Ca 0.05 0.73 -0.20 0.00 -1.03 0.00 0.00 54.13 53.68 1pff s LEU 180 Cb -0.14 -3.05 -0.03 0.00 0.03 0.00 0.00 46.19 43.01 1pff s LEU 180 CO 0.04 -0.55 0.61 -0.69 0.23 0.00 0.00 176.35 175.99 1pff s VAL 181 N 2.84 5.03 -0.12 -1.59 1.01 -1.26 -1.23 120.40 125.07 1pff s VAL 181 Ca 0.31 1.13 0.03 0.00 0.00 0.00 0.00 61.98 63.45 1pff s VAL 181 Cb -0.15 -3.92 0.01 0.00 0.00 0.00 0.00 36.38 32.32 1pff s VAL 181 CO 0.11 0.11 -0.22 -0.63 0.00 0.00 0.00 175.10 174.47 1pff s ILE 182 N 1.97 1.99 -0.10 2.22 1.01 0.01 -1.07 121.20 127.24 1pff s ILE 182 Ca 0.27 -0.95 0.03 0.00 0.00 0.00 0.00 60.65 60.00 1pff s ILE 182 Cb -0.16 -1.75 0.01 0.00 0.01 0.00 0.00 42.46 40.57 1pff s ILE 182 CO 0.10 0.54 -0.18 -0.69 0.00 0.00 0.00 174.94 174.70 1pff s VAL 183 N 0.69 1.66 -0.52 2.92 1.01 -0.67 -2.17 120.40 123.32 1pff s VAL 183 Ca -0.10 -0.77 -0.28 0.00 0.00 0.00 0.00 61.98 60.83 1pff s VAL 183 Cb -0.16 -1.48 0.03 0.00 0.00 0.00 0.00 36.38 34.77 1pff s VAL 183 CO 0.01 0.47 1.10 -0.62 0.00 0.00 0.00 175.10 176.06 1pff s ASP 184 N 0.63 6.50 -0.20 3.32 3.68 -0.68 -1.60 116.67 128.33 1pff s ASP 184 Ca -0.14 0.17 0.14 0.00 2.13 0.00 0.00 52.55 54.85 1pff s ASP 184 Cb -0.16 -2.52 0.75 0.00 -1.45 0.00 0.00 42.92 39.54 1pff s ASP 184 CO 0.04 -1.30 1.65 -3.20 0.13 0.00 0.00 175.17 172.49 1pff n ASN 185 N 7.91 5.24 -0.02 -0.34 5.15 -0.32 -3.90 115.26 128.99 1pff n ASN 185 Ca 0.08 -2.77 -0.09 0.00 -0.60 0.00 0.00 54.58 51.21 1pff n ASN 185 Cb 0.49 -0.65 -0.02 0.00 -0.53 0.00 0.00 39.78 39.06 1pff n ASN 185 CO 0.00 0.00 0.00 0.74 1.40 0.00 0.00 177.26 179.40 1pff h THR 186 N 3.78 0.49 -0.33 -0.44 2.02 -1.90 0.13 112.91 116.66 1pff h THR 186 Ca 0.00 0.00 -0.16 0.00 0.77 0.00 0.00 66.41 67.02 1pff h THR 186 Cb 1.78 0.49 -0.00 0.00 -1.74 0.00 0.00 68.15 68.68 1pff h THR 186 CO 0.41 0.00 -0.45 -0.26 0.37 0.00 0.00 175.52 175.59 1pff h PHE 187 N -0.22 1.04 0.07 3.16 -1.00 -1.86 -3.17 116.94 114.94 1pff h PHE 187 Ca 0.11 -0.33 -0.29 0.00 2.81 0.00 0.00 57.97 60.28 1pff h PHE 187 Cb 0.40 -0.21 0.03 0.00 3.61 0.00 0.00 35.95 39.77 1pff h PHE 187 CO -0.33 1.14 -1.16 0.00 -1.61 0.00 0.00 178.31 176.35 1pff h ALA 188 N 0.80 0.05 -0.67 2.45 0.00 -1.77 -3.41 119.26 116.73 1pff h ALA 188 Ca 0.04 -0.74 0.07 0.00 0.00 0.00 0.00 54.91 54.28 1pff h ALA 188 Cb 1.03 0.09 -0.04 0.00 0.00 0.00 0.00 17.79 18.88 1pff h ALA 188 CO 0.10 0.69 -0.24 -1.13 0.00 0.00 0.00 179.25 178.68 1pff n SER 189 N -3.81 -1.51 0.23 0.00 3.41 0.44 -3.69 113.62 108.68 1pff n SER 189 Ca -0.12 0.27 0.16 0.00 -0.26 0.00 0.00 58.87 58.92 1pff n SER 189 Cb 0.94 -0.95 0.76 0.00 -0.26 0.00 0.00 64.21 64.71 1pff n SER 189 CO 0.00 0.00 0.00 -0.65 -0.16 0.00 0.00 175.04 174.23 1pff h PRO 190 N -0.27 0.00 -0.05 4.33 0.11 -1.81 -2.55 132.00 131.76 1pff h PRO 190 Ca -0.04 0.00 -0.12 0.00 0.11 0.00 0.00 66.00 65.96 1pff h PRO 190 Cb 0.26 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 31.36 1pff h PRO 190 CO 0.01 0.00 -0.50 0.82 -0.21 0.00 0.00 178.00 178.12 1pff h ILE 191 N 0.00 1.36 0.00 4.15 1.08 -1.85 -3.38 117.51 118.86 1pff h ILE 191 Ca 0.00 -1.75 -0.24 0.00 -0.39 0.00 0.00 64.86 62.48 1pff h ILE 191 Cb 0.22 1.89 -0.04 0.00 -3.07 0.00 0.00 36.82 35.81 1pff h ILE 191 CO 0.00 0.51 -1.91 0.18 -0.69 0.00 0.00 178.15 176.24 1pff n LEU 192 N -3.94 1.35 -3.88 1.44 4.77 -0.99 -4.80 117.00 110.95 1pff n LEU 192 Ca -0.02 -0.04 -0.13 0.00 -0.03 0.00 0.00 56.01 55.79 1pff n LEU 192 Cb 0.53 -0.09 -0.14 0.00 -2.33 0.00 0.00 43.42 41.39 1pff n LEU 192 CO 0.42 0.53 -0.37 -0.89 -1.33 0.00 0.00 177.39 175.74 1pff s THR 193 N -2.32 0.10 -0.52 -5.08 2.01 -1.04 -0.92 115.64 107.88 1pff s THR 193 Ca -0.14 -0.04 0.03 0.00 0.31 0.00 0.00 61.69 61.86 1pff s THR 193 Cb 0.05 -0.11 0.15 0.00 0.01 0.00 0.00 72.50 72.60 1pff s THR 193 CO 0.46 0.04 0.32 0.20 -0.69 0.00 0.00 174.62 174.95 1pff s ASN 194 N 0.08 3.84 0.53 3.53 -0.87 -1.26 -4.22 114.94 116.56 1pff s ASN 194 Ca -0.00 -3.06 0.22 0.00 -1.57 0.00 0.00 52.86 48.45 1pff s ASN 194 Cb -0.02 -1.25 1.35 0.00 -0.02 0.00 0.00 41.25 41.31 1pff s ASN 194 CO -0.00 -0.20 2.04 -0.65 -2.57 0.00 0.00 177.10 175.72 1pff h PRO 195 N 6.24 0.01 0.00 -0.60 0.11 -1.95 -1.43 132.00 134.37 1pff h PRO 195 Ca 0.04 -0.00 -0.03 0.00 0.11 0.00 0.00 66.00 66.13 1pff h PRO 195 Cb 0.88 -0.00 -0.00 0.00 0.11 0.00 0.00 31.00 31.98 1pff h PRO 195 CO 0.57 0.01 -0.12 -0.07 -0.21 0.00 0.00 178.00 178.18 1pff h LEU 196 N 0.01 0.00 -2.12 2.35 3.38 -1.82 0.83 115.31 117.93 1pff h LEU 196 Ca 0.18 0.00 -0.02 0.00 0.09 0.00 0.00 57.88 58.13 1pff h LEU 196 Cb 0.70 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.44 1pff h LEU 196 CO -0.00 0.12 -0.08 0.44 0.09 0.00 0.00 178.44 179.01 1pff h ASP 197 N 0.00 0.00 -0.61 -0.43 3.32 -1.56 -2.69 116.42 114.45 1pff h ASP 197 Ca -0.00 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 1pff h ASP 197 Cb 0.22 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.77 1pff h ASP 197 CO 0.02 0.08 0.00 0.18 -1.72 0.00 0.00 179.24 177.79 1pff n LEU 198 N -3.79 4.85 0.00 1.55 4.77 0.27 -4.94 117.00 119.71 1pff n LEU 198 Ca -0.02 -2.54 0.00 0.00 -0.03 0.00 0.00 56.01 53.41 1pff n LEU 198 Cb 0.17 -0.59 0.00 0.00 -2.33 0.00 0.00 43.42 40.68 1pff n LEU 198 CO 0.29 0.78 0.00 0.61 -1.33 0.00 0.00 177.39 177.74 1pff n GLY 199 N 0.96 0.58 3.75 -0.72 0.00 -1.01 -4.51 105.19 104.23 1pff n GLY 199 Ca 0.26 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.89 1pff n GLY 199 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1pff s VAL 200 N -2.34 2.06 -0.11 1.61 1.01 -1.12 -4.91 120.40 116.59 1pff s VAL 200 Ca 0.00 0.04 -0.15 0.00 0.00 0.00 0.00 61.98 61.88 1pff s VAL 200 Cb 0.00 -3.02 -0.26 0.00 0.00 0.00 0.00 36.38 33.09 1pff s VAL 200 CO 0.00 -0.00 0.50 0.44 0.00 0.00 0.00 175.10 176.04 1pff h ASP 201 N 1.48 0.36 -3.74 3.32 3.32 -1.45 -3.41 116.42 116.30 1pff h ASP 201 Ca -0.51 -0.84 -0.36 0.00 0.02 0.00 0.00 57.03 55.35 1pff h ASP 201 Cb 1.30 -0.12 -0.31 0.00 0.22 0.00 0.00 39.33 40.43 1pff h ASP 201 CO 0.57 1.65 -0.76 -0.63 -1.72 0.00 0.00 179.24 178.35 1pff s ILE 202 N -2.48 0.44 -0.07 0.35 1.01 -0.82 -4.38 121.20 115.25 1pff s ILE 202 Ca -0.21 -0.17 0.03 0.00 0.00 0.00 0.00 60.65 60.30 1pff s ILE 202 Cb 0.05 -0.42 -0.02 0.00 0.01 0.00 0.00 42.46 42.08 1pff s ILE 202 CO 0.75 0.16 -0.14 -0.69 0.00 0.00 0.00 174.94 175.02 1pff s VAL 203 N 0.30 3.05 0.14 2.92 1.01 -0.41 -1.67 120.40 125.74 1pff s VAL 203 Ca -0.03 -0.71 0.10 0.00 0.00 0.00 0.00 61.98 61.34 1pff s VAL 203 Cb -0.07 -2.21 -0.04 0.00 0.00 0.00 0.00 36.38 34.06 1pff s VAL 203 CO -0.00 0.57 -0.24 0.68 0.00 0.00 0.00 175.10 176.11 1pff s VAL 204 N -0.46 2.14 0.03 2.92 -7.23 -0.63 -0.40 120.40 116.76 1pff s VAL 204 Ca 0.06 -1.79 0.02 0.00 -1.81 0.00 0.00 61.98 58.45 1pff s VAL 204 Cb -0.12 -1.93 -0.02 0.00 0.56 0.00 0.00 36.38 34.88 1pff s VAL 204 CO 0.02 -0.02 -0.06 -1.00 -0.31 0.00 0.00 175.10 173.72 1pff s HIS 205 N -1.30 0.53 -0.09 2.82 3.76 -0.01 -1.17 115.29 119.82 1pff s HIS 205 Ca 0.14 -0.37 -0.23 0.00 -0.15 0.00 0.00 55.06 54.45 1pff s HIS 205 Cb -0.09 -0.33 -0.03 0.00 1.11 0.00 0.00 32.58 33.23 1pff s HIS 205 CO 0.07 -0.07 0.68 0.45 -0.85 0.00 0.00 174.74 175.01 1pff s SER 206 N -1.11 6.92 0.00 1.40 0.15 -1.26 -1.35 113.70 118.45 1pff s SER 206 Ca -0.07 1.11 0.19 0.00 0.70 0.00 0.00 55.95 57.88 1pff s SER 206 Cb -0.07 -2.40 0.85 0.00 -1.71 0.00 0.00 66.02 62.69 1pff s SER 206 CO 0.00 -0.14 1.61 0.00 1.20 0.00 0.00 173.24 175.91 1pff n ALA 207 N 4.02 1.91 0.18 5.45 0.00 0.35 -3.81 120.51 128.61 1pff n ALA 207 Ca -0.01 -0.07 0.02 0.00 0.00 0.00 0.00 53.44 53.38 1pff n ALA 207 Cb 0.51 -1.31 0.32 0.00 0.00 0.00 0.00 19.45 18.97 1pff n ALA 207 CO 0.00 0.00 0.00 1.15 0.00 0.00 0.00 177.50 178.65 1pff h THR 208 N 0.00 1.22 0.02 0.00 2.02 -1.80 0.30 112.91 114.68 1pff h THR 208 Ca 0.00 -1.52 -0.19 0.00 0.77 0.00 0.00 66.41 65.47 1pff h THR 208 Cb 0.30 1.84 0.02 0.00 -1.74 0.00 0.00 68.15 68.57 1pff h THR 208 CO 0.00 0.42 -0.74 0.11 0.37 0.00 0.00 175.52 175.68 1pff h LYS 209 N 0.00 0.46 0.00 6.66 1.79 -1.82 -3.19 116.57 120.48 1pff h LYS 209 Ca -0.00 -0.53 0.00 0.00 -2.18 0.00 0.00 60.65 57.94 1pff h LYS 209 Cb 0.81 0.16 0.00 0.00 -1.58 0.00 0.00 32.23 31.62 1pff h LYS 209 CO 0.06 1.18 -0.19 0.66 -1.08 0.00 0.00 179.45 180.07 1pff n TYR 210 N -4.12 0.00 0.19 -1.35 4.02 -1.24 0.16 117.16 114.83 1pff n TYR 210 Ca -0.11 0.00 0.05 0.00 -0.01 0.00 0.00 57.90 57.83 1pff n TYR 210 Cb 0.75 0.22 0.48 0.00 -0.02 0.00 0.00 39.34 40.77 1pff n TYR 210 CO 0.00 0.00 0.00 0.82 -1.01 0.00 0.00 176.86 176.67 1pff h ILE 211 N 0.00 1.14 0.00 -0.72 2.04 -1.78 -2.94 117.51 115.24 1pff h ILE 211 Ca 0.00 -0.63 -0.09 0.00 1.00 0.00 0.00 64.86 65.14 1pff h ILE 211 Cb 0.19 1.27 -0.01 0.00 -0.74 0.00 0.00 36.82 37.53 1pff h ILE 211 CO 0.00 0.19 -0.43 -0.55 0.00 0.00 0.00 178.15 177.35 1pff h ASN 212 N 0.07 0.00 -2.00 1.72 -1.07 -1.22 -3.36 115.58 109.71 1pff h ASN 212 Ca 0.01 0.00 -0.33 0.00 0.07 0.00 0.00 56.30 56.06 1pff h ASN 212 Cb 0.31 0.00 -0.04 0.00 -2.07 0.00 0.00 38.32 36.52 1pff h ASN 212 CO 0.02 0.43 -0.39 0.61 0.07 0.00 0.00 177.43 178.17 1pff n GLY 213 N -0.18 0.09 0.73 9.14 0.00 -1.11 -4.12 105.19 109.73 1pff n GLY 213 Ca -0.01 -0.21 0.00 0.00 0.00 0.00 0.00 46.02 45.79 1pff n GLY 213 CO 0.00 0.00 0.00 -2.39 0.00 0.00 0.00 173.32 170.93 1pff n HIS 214 N -3.71 -1.27 0.00 1.61 1.44 -1.26 -4.81 115.22 107.22 1pff n HIS 214 Ca -0.19 0.09 0.00 0.00 -2.01 0.00 0.00 57.72 55.62 1pff n HIS 214 Cb 0.62 0.43 0.00 0.00 0.12 0.00 0.00 29.99 31.16 1pff n HIS 214 CO 0.00 0.00 0.00 2.41 -2.81 0.00 0.00 176.34 175.94 1pff n THR 215 N -2.06 0.00 -0.93 0.61 -1.04 -1.26 -4.71 114.28 104.89 1pff n THR 215 Ca 0.00 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 62.01 1pff n THR 215 Cb 0.00 0.00 0.00 0.00 -1.82 0.00 0.00 70.33 68.51 1pff n THR 215 CO 0.00 0.00 0.00 -0.67 -0.64 0.00 0.00 175.07 173.76 1pff n ASP 216 N 0.00 -5.05 -4.07 8.00 -0.08 -1.26 -4.97 116.55 109.12 1pff n ASP 216 Ca 0.00 0.00 -0.31 0.00 -1.51 0.00 0.00 54.79 52.97 1pff n ASP 216 Cb 0.00 -3.28 -0.16 0.00 2.34 0.00 0.00 41.12 40.02 1pff n ASP 216 CO 0.00 0.00 0.00 -0.69 0.12 0.00 0.00 177.20 176.63 1pff s VAL 217 N -1.03 1.81 -0.13 5.18 1.01 -1.26 -5.11 120.40 120.87 1pff s VAL 217 Ca 0.00 -0.78 -0.01 0.00 0.00 0.00 0.00 61.98 61.19 1pff s VAL 217 Cb 0.00 -1.66 -0.02 0.00 0.00 0.00 0.00 36.38 34.70 1pff s VAL 217 CO 0.00 0.50 -0.09 -0.69 0.00 0.00 0.00 175.10 174.81 1pff s VAL 218 N 1.39 3.40 0.01 2.92 1.01 -1.26 -4.54 120.40 123.33 1pff s VAL 218 Ca 0.05 -0.54 -0.28 0.00 0.00 0.00 0.00 61.98 61.20 1pff s VAL 218 Cb -0.13 -2.44 0.10 0.00 0.00 0.00 0.00 36.38 33.91 1pff s VAL 218 CO -0.12 0.53 0.85 0.00 0.00 0.00 0.00 175.10 176.35 1pff s ALA 219 N 0.17 -1.79 0.25 5.51 0.00 -1.21 -4.57 121.76 120.12 1pff s ALA 219 Ca -0.05 0.97 0.05 0.00 0.00 0.00 0.00 51.96 52.92 1pff s ALA 219 Cb -0.15 0.43 -0.05 0.00 0.00 0.00 0.00 23.12 23.35 1pff s ALA 219 CO 0.04 -0.68 -0.02 0.20 0.00 0.00 0.00 175.76 175.30 1pff s GLY 220 N -2.43 1.65 -0.00 0.00 0.00 -0.15 -0.49 107.32 105.89 1pff s GLY 220 Ca 0.04 -1.82 0.01 0.00 0.00 0.00 0.00 44.72 42.95 1pff s GLY 220 CO -0.09 -1.73 -0.03 1.08 0.00 0.00 0.00 173.10 172.34 1pff s LEU 221 N -3.35 2.02 -0.12 0.66 1.43 -0.45 -0.91 118.68 117.96 1pff s LEU 221 Ca 0.29 -0.08 0.03 0.00 -1.03 0.00 0.00 54.13 53.34 1pff s LEU 221 Cb 0.05 -0.14 0.01 0.00 0.03 0.00 0.00 46.19 46.14 1pff s LEU 221 CO 0.10 0.02 -0.20 -0.69 0.23 0.00 0.00 176.35 175.80 1pff s VAL 222 N -0.14 1.88 -0.07 -1.59 1.01 -0.16 -0.83 120.40 120.50 1pff s VAL 222 Ca 0.00 -0.88 0.04 0.00 0.00 0.00 0.00 61.98 61.13 1pff s VAL 222 Cb -0.02 -1.66 0.00 0.00 0.00 0.00 0.00 36.38 34.71 1pff s VAL 222 CO -0.00 0.52 -0.18 0.00 0.00 0.00 0.00 175.10 175.44 1pff n SER 224 N 3.49 -0.87 -4.63 0.00 2.88 -0.64 -1.29 113.62 112.57 1pff n SER 224 Ca -0.20 -1.49 -0.38 0.00 -1.33 0.00 0.00 58.87 55.47 1pff n SER 224 Cb 0.52 1.42 0.05 0.00 -0.75 0.00 0.00 64.21 65.45 1pff n SER 224 CO 0.00 0.00 0.00 0.54 -1.23 0.00 0.00 175.04 174.35 1pff n ARG 225 N -0.32 0.93 -0.36 -1.46 1.74 -1.26 -1.49 116.66 114.44 1pff n ARG 225 Ca -0.02 0.36 0.08 0.00 -0.77 0.00 0.00 57.85 57.51 1pff n ARG 225 Cb 0.27 -2.20 0.25 0.00 -1.02 0.00 0.00 32.46 29.76 1pff n ARG 225 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1pff h ALA 226 N 0.52 1.54 -0.08 7.54 0.00 -1.90 -0.87 119.26 126.02 1pff h ALA 226 Ca -0.49 0.03 -0.15 0.00 0.00 0.00 0.00 54.91 54.30 1pff h ALA 226 Cb 1.36 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 18.95 1pff h ALA 226 CO 0.51 0.19 -0.62 0.38 0.00 0.00 0.00 179.25 179.71 1pff h ASP 227 N 0.97 0.31 -0.09 0.00 3.04 -2.00 -0.46 116.42 118.19 1pff h ASP 227 Ca 0.51 -0.18 -0.02 0.00 -3.24 0.00 0.00 57.03 54.10 1pff h ASP 227 Cb 0.55 -0.09 -0.00 0.00 -1.04 0.00 0.00 39.33 38.74 1pff h ASP 227 CO -0.28 0.85 -0.02 0.40 -2.04 0.00 0.00 179.24 178.15 1pff h ILE 228 N 0.20 1.29 -0.63 4.15 2.04 -1.81 -3.14 117.51 119.61 1pff h ILE 228 Ca -0.01 -0.93 -0.03 0.00 1.00 0.00 0.00 64.86 64.89 1pff h ILE 228 Cb 1.13 1.73 -0.03 0.00 -0.74 0.00 0.00 36.82 38.91 1pff h ILE 228 CO 0.10 0.26 0.27 0.40 0.00 0.00 0.00 178.15 179.17 1pff h ILE 229 N -0.15 1.22 -0.79 -0.67 1.08 -1.06 -0.25 117.51 116.88 1pff h ILE 229 Ca 0.02 -0.65 0.11 0.00 -0.39 0.00 0.00 64.86 63.94 1pff h ILE 229 Cb 0.42 0.45 -0.08 0.00 -3.07 0.00 0.00 36.82 34.54 1pff h ILE 229 CO 0.01 0.26 0.42 0.00 -0.69 0.00 0.00 178.15 178.15 1pff h ALA 230 N 1.40 1.12 -0.16 1.87 0.00 -1.12 0.13 119.26 122.50 1pff h ALA 230 Ca 0.21 0.05 -0.20 0.00 0.00 0.00 0.00 54.91 54.97 1pff h ALA 230 Cb 0.15 -0.07 0.01 0.00 0.00 0.00 0.00 17.79 17.87 1pff h ALA 230 CO -0.02 0.00 -0.69 0.87 0.00 0.00 0.00 179.25 179.41 1pff h LYS 231 N 0.68 0.75 -0.94 0.00 1.57 -1.35 -1.49 116.57 115.81 1pff h LYS 231 Ca 0.39 -0.59 0.05 0.00 -1.87 0.00 0.00 60.65 58.63 1pff h LYS 231 Cb 0.43 0.12 -0.06 0.00 0.08 0.00 0.00 32.23 32.79 1pff h LYS 231 CO -0.28 1.21 0.60 0.28 -0.57 0.00 0.00 179.45 180.69 1pff h VAL 232 N 0.47 1.11 0.21 0.50 2.07 -0.54 0.14 116.25 120.20 1pff h VAL 232 Ca -0.04 -0.39 -0.01 0.00 0.82 0.00 0.00 66.70 67.08 1pff h VAL 232 Cb 1.32 -0.12 0.00 0.00 -1.52 0.00 0.00 31.29 30.97 1pff h VAL 232 CO 0.14 0.21 -0.10 0.11 0.02 0.00 0.00 177.57 177.95 1pff h LYS 233 N 1.12 -0.27 -0.00 1.57 1.57 -0.73 0.16 116.57 119.99 1pff h LYS 233 Ca 0.39 0.02 -0.10 0.00 -1.87 0.00 0.00 60.65 59.09 1pff h LYS 233 Cb 0.10 0.06 -0.01 0.00 0.08 0.00 0.00 32.23 32.46 1pff h LYS 233 CO -0.15 0.10 -0.49 0.66 -0.57 0.00 0.00 179.45 179.00 1pff h SER 234 N -0.93 0.01 0.00 0.86 4.64 -1.28 -1.53 113.55 115.32 1pff h SER 234 Ca -0.03 -0.01 0.00 0.00 -0.47 0.00 0.00 61.79 61.29 1pff h SER 234 Cb 0.49 -0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.57 1pff h SER 234 CO 0.05 0.50 -0.56 0.00 -0.87 0.00 0.00 176.83 175.94 1pff n GLN 235 N -3.96 0.30 -0.13 4.77 6.02 0.01 -3.76 117.38 120.63 1pff n GLN 235 Ca -0.02 0.12 -0.05 0.00 -0.01 0.00 0.00 57.00 57.04 1pff n GLN 235 Cb 0.51 -1.00 0.03 0.00 1.02 0.00 0.00 30.24 30.80 1pff n GLN 235 CO 0.00 0.00 0.00 0.78 -1.01 0.00 0.00 177.06 176.83 1pff h GLY 236 N -0.56 0.56 0.00 1.08 0.00 -1.00 0.80 103.07 103.94 1pff h GLY 236 Ca 0.00 -0.10 -0.05 0.00 0.00 0.00 0.00 47.33 47.18 1pff h GLY 236 CO 0.00 0.04 -0.44 -2.22 0.00 0.00 0.00 176.54 173.92 1pff h ILE 237 N 0.34 0.47 -0.03 2.60 2.04 -0.73 -0.98 117.51 121.21 1pff h ILE 237 Ca 0.20 -1.45 -0.15 0.00 1.00 0.00 0.00 64.86 64.45 1pff h ILE 237 Cb 0.17 0.98 -0.01 0.00 -0.74 0.00 0.00 36.82 37.22 1pff h ILE 237 CO -0.19 0.16 -0.66 0.11 0.00 0.00 0.00 178.15 177.57 1pff h LYS 238 N -1.00 0.14 0.00 2.37 1.57 -1.33 0.15 116.57 118.47 1pff h LYS 238 Ca -0.07 -0.11 -0.21 0.00 -1.87 0.00 0.00 60.65 58.39 1pff h LYS 238 Cb 0.61 0.02 -0.03 0.00 0.08 0.00 0.00 32.23 32.90 1pff h LYS 238 CO -0.04 0.75 -1.66 -0.25 -0.57 0.00 0.00 179.45 177.67 1pff n ASP 239 N -3.80 1.82 -0.06 0.86 8.00 -0.40 -4.68 116.55 118.28 1pff n ASP 239 Ca -0.02 0.31 -0.06 0.00 0.71 0.00 0.00 54.79 55.73 1pff n ASP 239 Cb 0.65 -0.72 -0.05 0.00 -0.02 0.00 0.00 41.12 40.98 1pff n ASP 239 CO 0.00 0.00 0.00 0.40 -0.39 0.00 0.00 177.20 177.21 1pff h ILE 240 N -0.91 0.73 0.01 0.53 2.04 -0.98 -3.41 117.51 115.52 1pff h ILE 240 Ca -0.32 -1.55 -0.36 0.00 1.00 0.00 0.00 64.86 63.62 1pff h ILE 240 Cb 1.24 1.38 -0.06 0.00 -0.74 0.00 0.00 36.82 38.64 1pff h ILE 240 CO -0.20 0.25 -2.30 0.35 0.00 0.00 0.00 178.15 176.26 1pff n THR 241 N -4.71 1.47 -1.76 -0.27 -2.24 -0.37 -4.98 114.28 101.42 1pff n THR 241 Ca -0.04 -0.76 -0.20 0.00 -2.27 0.00 0.00 64.05 60.78 1pff n THR 241 Cb 0.20 -0.89 -0.07 0.00 -2.10 0.00 0.00 70.33 67.47 1pff n THR 241 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1pff n GLY 242 N 1.88 1.34 2.51 3.38 0.00 0.53 -4.89 105.19 109.95 1pff n GLY 242 Ca -0.34 -0.06 -0.40 0.00 0.00 0.00 0.00 46.02 45.21 1pff n GLY 242 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1pff n ALA 243 N 0.58 6.69 -2.51 4.61 0.00 -1.25 -4.94 120.51 123.69 1pff n ALA 243 Ca -0.21 -3.90 -0.41 0.00 0.00 0.00 0.00 53.44 48.93 1pff n ALA 243 Cb 0.66 -3.12 -0.04 0.00 0.00 0.00 0.00 19.45 16.94 1pff n ALA 243 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.50 177.92 1pff s ILE 244 N 0.85 4.75 0.41 0.00 1.01 -1.26 -0.73 121.20 126.23 1pff s ILE 244 Ca 0.56 1.90 -0.25 0.00 0.00 0.00 0.00 60.65 62.86 1pff s ILE 244 Cb 0.16 -4.24 -0.08 0.00 0.01 0.00 0.00 42.46 38.31 1pff s ILE 244 CO -0.07 0.26 1.21 -0.51 0.00 0.00 0.00 174.94 175.83 1pff s ILE 245 N 0.45 2.99 0.21 2.92 2.07 -1.26 -4.00 121.20 124.59 1pff s ILE 245 Ca 0.46 0.84 -0.30 0.00 -1.41 0.00 0.00 60.65 60.24 1pff s ILE 245 Cb -0.21 -3.47 -0.09 0.00 0.13 0.00 0.00 42.46 38.82 1pff s ILE 245 CO 0.26 0.08 1.26 -0.55 -1.91 0.00 0.00 174.94 174.08 1pff s SER 246 N -1.05 6.98 0.37 4.50 0.15 -1.26 -4.93 113.70 118.45 1pff s SER 246 Ca 0.58 2.36 0.12 0.00 0.70 0.00 0.00 55.95 59.71 1pff s SER 246 Cb -0.33 -2.61 0.91 0.00 -1.71 0.00 0.00 66.02 62.29 1pff s SER 246 CO 0.41 -0.45 1.83 -0.65 1.20 0.00 0.00 173.24 175.58 1pff h PRO 247 N 5.03 0.57 -0.21 5.44 0.11 -1.99 0.43 132.00 141.38 1pff h PRO 247 Ca -0.45 -0.03 -0.11 0.00 0.11 0.00 0.00 66.00 65.52 1pff h PRO 247 Cb 1.22 -0.13 -0.00 0.00 0.11 0.00 0.00 31.00 32.19 1pff h PRO 247 CO 0.74 0.38 -0.28 0.45 -0.21 0.00 0.00 178.00 179.08 1pff h HIS 248 N 0.59 0.70 -0.32 0.65 3.86 -2.00 -2.30 115.15 116.33 1pff h HIS 248 Ca 0.51 -0.23 -0.12 0.00 -1.16 0.00 0.00 60.37 59.37 1pff h HIS 248 Cb 1.01 -0.14 -0.01 0.00 1.06 0.00 0.00 27.41 29.33 1pff h HIS 248 CO -0.00 0.94 -0.30 -0.44 0.86 0.00 0.00 177.93 178.99 1pff h ASP 249 N 0.25 0.69 -0.95 2.45 3.45 -1.85 -2.67 116.42 117.79 1pff h ASP 249 Ca 0.03 -0.27 0.00 0.00 0.43 0.00 0.00 57.03 57.22 1pff h ASP 249 Cb 0.86 -0.19 -0.05 0.00 -0.56 0.00 0.00 39.33 39.39 1pff h ASP 249 CO 0.07 0.95 0.61 0.00 -1.57 0.00 0.00 179.24 179.29 1pff h ALA 250 N 1.10 1.20 -0.34 3.45 0.00 -0.89 0.50 119.26 124.29 1pff h ALA 250 Ca 0.07 -0.08 -0.00 0.00 0.00 0.00 0.00 54.91 54.89 1pff h ALA 250 Cb 0.80 -0.38 -0.02 0.00 0.00 0.00 0.00 17.79 18.19 1pff h ALA 250 CO 0.07 0.62 0.19 2.35 0.00 0.00 0.00 179.25 182.48 1pff h TRP 251 N 1.29 0.45 -0.54 0.00 7.01 -1.28 -1.67 115.95 121.22 1pff h TRP 251 Ca 0.35 -0.01 -0.07 0.00 2.11 0.00 0.00 58.89 61.27 1pff h TRP 251 Cb -0.12 -0.15 -0.02 0.00 -2.10 0.00 0.00 29.16 26.77 1pff h TRP 251 CO -0.00 0.34 0.05 -0.07 -2.79 0.00 0.00 178.44 175.97 1pff h LEU 252 N 0.43 0.85 -0.62 0.65 3.38 -1.10 -1.24 115.31 117.65 1pff h LEU 252 Ca 0.12 -0.20 -0.04 0.00 0.09 0.00 0.00 57.88 57.86 1pff h LEU 252 Cb 0.03 -0.22 -0.03 0.00 0.09 0.00 0.00 40.66 40.53 1pff h LEU 252 CO -0.02 0.88 0.25 0.40 0.09 0.00 0.00 178.44 180.04 1pff h ILE 253 N 0.83 1.23 -0.85 1.22 1.08 -0.76 -2.04 117.51 118.22 1pff h ILE 253 Ca 0.17 -0.73 -0.01 0.00 -0.39 0.00 0.00 64.86 63.90 1pff h ILE 253 Cb 0.43 0.55 -0.04 0.00 -3.07 0.00 0.00 36.82 34.69 1pff h ILE 253 CO 0.01 0.28 0.48 0.74 -0.69 0.00 0.00 178.15 178.98 1pff h THR 254 N 0.86 1.25 -0.53 -0.27 2.02 -0.90 -1.63 112.91 113.70 1pff h THR 254 Ca 0.21 -0.59 0.02 0.00 0.77 0.00 0.00 66.41 66.82 1pff h THR 254 Cb 0.21 0.09 -0.03 0.00 -1.74 0.00 0.00 68.15 66.67 1pff h THR 254 CO -0.02 0.27 0.33 -0.09 0.37 0.00 0.00 175.52 176.38 1pff h ARG 255 N 1.18 0.64 -0.29 6.66 2.43 -1.12 -2.93 114.38 120.95 1pff h ARG 255 Ca 0.30 -0.04 0.07 0.00 -0.81 0.00 0.00 59.98 59.50 1pff h ARG 255 Cb 0.01 -0.14 -0.01 0.00 -0.42 0.00 0.00 29.97 29.40 1pff h ARG 255 CO -0.05 0.42 0.21 0.78 -1.51 0.00 0.00 179.97 179.82 1pff h GLY 256 N 0.66 0.13 2.00 2.80 0.00 -0.56 -2.98 103.07 105.12 1pff h GLY 256 Ca 0.21 -0.04 -0.03 0.00 0.00 0.00 0.00 47.33 47.47 1pff h GLY 256 CO -0.08 0.03 -0.13 -0.91 0.00 0.00 0.00 176.54 175.45 1pff h THR 257 N 0.10 0.66 -0.87 4.70 1.35 -1.26 -2.91 112.91 114.68 1pff h THR 257 Ca 0.14 -0.57 0.06 0.00 -0.55 0.00 0.00 66.41 65.49 1pff h THR 257 Cb 0.41 1.35 -0.06 0.00 -1.73 0.00 0.00 68.15 68.12 1pff h THR 257 CO -0.01 0.13 0.55 0.25 -0.25 0.00 0.00 175.52 176.18 1pff h LEU 258 N 0.00 0.86 -3.04 3.87 5.85 -1.67 -2.64 115.31 118.54 1pff h LEU 258 Ca -0.00 0.02 0.00 0.00 0.84 0.00 0.00 57.88 58.73 1pff h LEU 258 Cb 0.34 -0.17 0.00 0.00 0.37 0.00 0.00 40.66 41.21 1pff h LEU 258 CO 0.02 0.55 0.00 0.35 -0.34 0.00 0.00 178.44 179.02 1pff n THR 259 N -4.61 1.53 -0.03 1.05 -2.24 -1.18 -4.74 114.28 104.06 1pff n THR 259 Ca 0.13 -1.35 -0.10 0.00 -2.27 0.00 0.00 64.05 60.46 1pff n THR 259 Cb 0.18 0.20 -0.04 0.00 -2.10 0.00 0.00 70.33 68.57 1pff n THR 259 CO 0.00 0.00 0.00 0.25 -0.57 0.00 0.00 175.07 174.75 1pff h LEU 260 N 1.99 0.08 -0.10 3.22 5.85 -1.27 -0.05 115.31 125.03 1pff h LEU 260 Ca 0.00 0.01 0.03 0.00 0.84 0.00 0.00 57.88 58.77 1pff h LEU 260 Cb 1.03 0.00 -0.03 0.00 0.37 0.00 0.00 40.66 42.03 1pff h LEU 260 CO 0.09 0.07 -0.10 -0.78 -0.34 0.00 0.00 178.44 177.39 1pff h ASP 261 N 0.15 -0.31 -0.70 1.25 1.82 -1.85 -0.74 116.42 116.03 1pff h ASP 261 Ca 0.07 0.06 -0.08 0.00 -0.39 0.00 0.00 57.03 56.70 1pff h ASP 261 Cb 0.03 0.16 -0.03 0.00 0.68 0.00 0.00 39.33 40.17 1pff h ASP 261 CO -0.06 -0.14 0.14 0.00 -1.61 0.00 0.00 179.24 177.57 1pff h MET 262 N -0.12 1.14 -0.50 0.28 -0.00 -1.87 -2.46 114.93 111.39 1pff h MET 262 Ca 0.07 -0.29 -0.05 0.00 -0.00 0.00 0.00 59.70 59.43 1pff h MET 262 Cb 0.23 -0.14 -0.02 0.00 -0.00 0.00 0.00 31.60 31.67 1pff h MET 262 CO -0.18 1.02 0.12 0.00 -0.00 0.00 0.00 176.91 177.87 1pff h ARG 263 N 1.07 0.81 -0.33 -0.10 3.08 -0.63 -0.65 114.38 117.63 1pff h ARG 263 Ca 0.22 -0.20 -0.04 0.00 0.07 0.00 0.00 59.98 60.03 1pff h ARG 263 Cb 0.41 -0.10 -0.01 0.00 0.08 0.00 0.00 29.97 30.34 1pff h ARG 263 CO 0.01 0.79 0.07 0.28 -1.07 0.00 0.00 179.97 180.04 1pff h VAL 264 N 0.70 1.23 -0.46 2.04 2.07 -1.10 -1.56 116.25 119.17 1pff h VAL 264 Ca 0.16 -0.78 -0.11 0.00 0.82 0.00 0.00 66.70 66.78 1pff h VAL 264 Cb 0.34 1.11 -0.02 0.00 -1.52 0.00 0.00 31.29 31.21 1pff h VAL 264 CO 0.00 0.26 -0.16 0.11 0.02 0.00 0.00 177.57 177.80 1pff h LYS 265 N 0.37 0.88 -0.35 1.57 1.57 -1.35 -0.43 116.57 118.83 1pff h LYS 265 Ca 0.10 -0.33 -0.00 0.00 -1.87 0.00 0.00 60.65 58.54 1pff h LYS 265 Cb 0.32 -0.05 -0.02 0.00 0.08 0.00 0.00 32.23 32.57 1pff h LYS 265 CO 0.00 0.98 0.20 -0.09 -0.57 0.00 0.00 179.45 179.97 1pff h ARG 266 N 0.78 0.48 -0.63 3.15 9.65 -1.06 0.18 114.38 126.91 1pff h ARG 266 Ca 0.12 -0.05 -0.09 0.00 -1.10 0.00 0.00 59.98 58.86 1pff h ARG 266 Cb 0.69 -0.10 -0.02 0.00 -1.39 0.00 0.00 29.97 29.15 1pff h ARG 266 CO 0.05 0.37 0.05 0.00 2.80 0.00 0.00 179.97 183.24 1pff h ALA 267 N 1.08 0.85 -0.48 2.80 0.00 -1.05 0.11 119.26 122.56 1pff h ALA 267 Ca 0.12 -0.29 -0.08 0.00 0.00 0.00 0.00 54.91 54.66 1pff h ALA 267 Cb 0.03 -0.24 -0.02 0.00 0.00 0.00 0.00 17.79 17.56 1pff h ALA 267 CO -0.02 0.66 -0.02 0.00 0.00 0.00 0.00 179.25 179.87 1pff h ALA 268 N 1.01 0.65 -0.50 0.00 0.00 -0.91 0.19 119.26 119.70 1pff h ALA 268 Ca 0.19 -0.29 -0.07 0.00 0.00 0.00 0.00 54.91 54.74 1pff h ALA 268 Cb 0.51 -0.18 -0.02 0.00 0.00 0.00 0.00 17.79 18.10 1pff h ALA 268 CO 0.02 0.47 0.05 1.49 0.00 0.00 0.00 179.25 181.29 1pff h GLU 269 N 0.72 0.85 -0.40 0.00 4.81 -0.78 -1.16 114.58 118.62 1pff h GLU 269 Ca 0.14 -0.24 0.04 0.00 -0.13 0.00 0.00 59.36 59.16 1pff h GLU 269 Cb 0.53 -0.09 -0.04 0.00 0.63 0.00 0.00 28.75 29.78 1pff h GLU 269 CO 0.03 0.86 0.17 -0.91 -0.73 0.00 0.00 179.01 178.43 1pff h ASN 270 N 0.72 0.23 -0.77 1.04 2.35 -0.62 -2.76 115.58 115.76 1pff h ASN 270 Ca 0.15 0.03 -0.04 0.00 -0.55 0.00 0.00 56.30 55.89 1pff h ASN 270 Cb 0.44 -0.01 -0.04 0.00 0.05 0.00 0.00 38.32 38.77 1pff h ASN 270 CO 0.02 0.17 0.34 0.00 -1.65 0.00 0.00 177.43 176.30 1pff h ALA 271 N 1.23 1.12 -0.43 -0.83 0.00 -0.42 -0.15 119.26 119.79 1pff h ALA 271 Ca 0.18 -0.18 0.03 0.00 0.00 0.00 0.00 54.91 54.94 1pff h ALA 271 Cb 0.12 -0.31 -0.04 0.00 0.00 0.00 0.00 17.79 17.56 1pff h ALA 271 CO -0.15 0.64 0.21 0.37 0.00 0.00 0.00 179.25 180.33 1pff h GLN 272 N 1.13 0.42 -0.50 0.00 5.75 -1.05 0.30 115.11 121.16 1pff h GLN 272 Ca 0.27 -0.03 -0.11 0.00 -0.15 0.00 0.00 58.65 58.63 1pff h GLN 272 Cb 0.17 -0.09 -0.02 0.00 1.07 0.00 0.00 27.48 28.61 1pff h GLN 272 CO -0.03 0.28 -0.11 0.87 -2.65 0.00 0.00 178.83 177.19 1pff h LYS 273 N 0.43 0.92 -0.51 1.69 1.57 -1.19 -1.15 116.57 118.32 1pff h LYS 273 Ca 0.18 -0.33 -0.07 0.00 -1.87 0.00 0.00 60.65 58.56 1pff h LYS 273 Cb 0.08 -0.07 -0.02 0.00 0.08 0.00 0.00 32.23 32.31 1pff h LYS 273 CO -0.13 0.98 0.04 0.28 -0.57 0.00 0.00 179.45 180.05 1pff h VAL 274 N 0.82 1.26 -0.75 0.50 2.07 -0.62 -1.25 116.25 118.28 1pff h VAL 274 Ca 0.13 -1.02 -0.05 0.00 0.82 0.00 0.00 66.70 66.58 1pff h VAL 274 Cb 0.64 0.92 -0.03 0.00 -1.52 0.00 0.00 31.29 31.30 1pff h VAL 274 CO 0.04 0.36 0.29 0.00 0.02 0.00 0.00 177.57 178.29 1pff h ALA 275 N 0.96 0.97 -0.75 1.67 0.00 -0.24 0.32 119.26 122.18 1pff h ALA 275 Ca 0.15 -0.19 -0.06 0.00 0.00 0.00 0.00 54.91 54.81 1pff h ALA 275 Cb 0.47 -0.29 -0.03 0.00 0.00 0.00 0.00 17.79 17.93 1pff h ALA 275 CO 0.02 0.60 0.25 0.93 0.00 0.00 0.00 179.25 181.06 1pff h GLU 276 N 1.08 1.15 0.07 0.00 5.08 -1.06 0.05 114.58 120.96 1pff h GLU 276 Ca 0.25 -0.23 -0.00 0.00 -1.00 0.00 0.00 59.36 58.37 1pff h GLU 276 Cb 0.23 -0.17 0.00 0.00 0.50 0.00 0.00 28.75 29.30 1pff h GLU 276 CO -0.02 0.97 -0.04 0.35 -1.00 0.00 0.00 179.01 179.27 1pff h PHE 277 N 1.11 -0.09 -0.89 4.33 3.57 -0.83 -3.08 116.94 121.05 1pff h PHE 277 Ca 0.25 -0.00 0.07 0.00 3.53 0.00 0.00 57.97 61.81 1pff h PHE 277 Cb 0.28 0.03 -0.06 0.00 2.79 0.00 0.00 35.95 38.99 1pff h PHE 277 CO 0.02 0.17 0.58 -0.07 -2.23 0.00 0.00 178.31 176.78 1pff h LEU 278 N -0.35 0.87 -2.66 0.59 3.38 -0.83 -1.69 115.31 114.63 1pff h LEU 278 Ca -0.01 0.01 -0.00 0.00 0.09 0.00 0.00 57.88 57.97 1pff h LEU 278 Cb 0.30 -0.18 -0.00 0.00 0.09 0.00 0.00 40.66 40.88 1pff h LEU 278 CO 0.02 0.56 -0.00 -0.74 0.09 0.00 0.00 178.44 178.36 1pff h HIS 279 N 0.99 0.00 -0.02 1.13 2.76 -0.89 -2.22 115.15 116.89 1pff h HIS 279 Ca 0.39 0.00 0.00 0.00 -2.20 0.00 0.00 60.37 58.56 1pff h HIS 279 Cb 0.23 0.00 0.00 0.00 1.55 0.00 0.00 27.41 29.19 1pff h HIS 279 CO -0.00 0.00 -0.11 0.39 -1.30 0.00 0.00 177.93 176.91 1pff n GLU 280 N -3.57 1.47 -2.77 5.26 -0.58 -0.65 -4.99 120.64 114.80 1pff n GLU 280 Ca -0.03 -1.29 -0.41 0.00 -0.42 0.00 0.00 57.16 55.01 1pff n GLU 280 Cb 0.08 -1.31 -0.05 0.00 -0.57 0.00 0.00 31.44 29.59 1pff n GLU 280 CO 0.00 0.00 0.00 -1.58 -0.48 0.00 0.00 177.13 175.07 1pff s HIS 281 N -1.57 3.83 0.26 -0.32 2.46 -0.84 -4.94 115.29 114.17 1pff s HIS 281 Ca 0.18 1.77 0.30 0.00 0.47 0.00 0.00 55.06 57.78 1pff s HIS 281 Cb 0.14 -3.00 1.36 0.00 -0.13 0.00 0.00 32.58 30.95 1pff s HIS 281 CO 0.27 0.27 2.00 0.87 -2.47 0.00 0.00 174.74 175.68 1pff h LYS 282 N 5.32 0.00 0.00 2.88 1.57 -1.94 -2.47 116.57 121.93 1pff h LYS 282 Ca -0.43 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.35 1pff h LYS 282 Cb 1.21 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.52 1pff h LYS 282 CO 0.71 0.10 -0.22 0.00 -0.57 0.00 0.00 179.45 179.47 1pff n ALA 283 N -2.18 2.70 -2.59 3.86 0.00 -1.26 -4.75 120.51 116.28 1pff n ALA 283 Ca -0.01 -0.17 -0.40 0.00 0.00 0.00 0.00 53.44 52.87 1pff n ALA 283 Cb 0.30 -1.34 -0.08 0.00 0.00 0.00 0.00 19.45 18.33 1pff n ALA 283 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 1pff s VAL 284 N -3.05 5.09 0.09 0.00 1.01 -0.93 -4.28 120.40 118.33 1pff s VAL 284 Ca 0.11 0.60 0.02 0.00 0.00 0.00 0.00 61.98 62.71 1pff s VAL 284 Cb 0.16 -3.83 -0.24 0.00 0.00 0.00 0.00 36.38 32.47 1pff s VAL 284 CO 0.62 0.01 1.20 0.11 0.00 0.00 0.00 175.10 177.03 1pff h LYS 285 N 8.21 0.12 -2.06 2.72 1.79 -1.10 -3.46 116.57 122.79 1pff h LYS 285 Ca -0.29 -0.20 -0.05 0.00 -2.18 0.00 0.00 60.65 57.92 1pff h LYS 285 Cb 1.14 0.08 -0.21 0.00 -1.58 0.00 0.00 32.23 31.66 1pff h LYS 285 CO 0.71 1.08 0.12 0.21 -1.08 0.00 0.00 179.45 180.49 1pff s LYS 286 N -2.68 0.88 -0.04 3.15 2.20 -1.23 -4.98 119.74 117.03 1pff s LYS 286 Ca -0.01 0.75 0.05 0.00 -0.36 0.00 0.00 55.97 56.40 1pff s LYS 286 Cb 0.09 0.42 -0.02 0.00 -1.51 0.00 0.00 37.83 36.81 1pff s LYS 286 CO 0.85 -0.16 -0.18 0.08 -0.36 0.00 0.00 175.35 175.57 1pff s VAL 287 N -0.09 2.71 -0.37 4.02 1.01 -1.26 -1.24 120.40 125.18 1pff s VAL 287 Ca -0.03 -0.87 -0.01 0.00 0.00 0.00 0.00 61.98 61.07 1pff s VAL 287 Cb -0.04 -2.02 0.09 0.00 0.00 0.00 0.00 36.38 34.41 1pff s VAL 287 CO 0.04 0.58 0.12 -0.31 0.00 0.00 0.00 175.10 175.53 1pff s TYR 288 N -0.69 3.54 -0.18 5.22 1.51 0.11 -4.93 117.35 121.92 1pff s TYR 288 Ca 0.11 -2.39 -0.08 0.00 -1.01 0.00 0.00 57.07 53.70 1pff s TYR 288 Cb -0.10 -2.87 0.07 0.00 -0.11 0.00 0.00 41.96 38.95 1pff s TYR 288 CO 0.00 -0.92 0.42 -0.47 -1.11 0.00 0.00 175.55 173.47 1pff s TYR 289 N 1.12 -0.70 0.61 2.71 5.04 -1.26 -1.79 117.35 123.08 1pff s TYR 289 Ca 0.05 1.41 0.32 0.00 -2.44 0.00 0.00 57.07 56.42 1pff s TYR 289 Cb -0.21 0.29 1.86 0.00 0.35 0.00 0.00 41.96 44.25 1pff s TYR 289 CO -0.04 -0.41 2.19 -1.35 -1.34 0.00 0.00 175.55 174.60 1pff h PRO 290 N 7.59 0.00 -0.00 4.97 0.11 -1.85 -2.19 132.00 140.64 1pff h PRO 290 Ca -0.27 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.84 1pff h PRO 290 Cb 1.15 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.26 1pff h PRO 290 CO 0.21 0.00 -0.07 0.41 -0.21 0.00 0.00 178.00 178.34 1pff n GLY 291 N -1.30 -1.25 3.72 -0.55 0.00 -1.26 -4.51 105.19 100.04 1pff n GLY 291 Ca -0.01 -0.18 -0.40 0.00 0.00 0.00 0.00 46.02 45.43 1pff n GLY 291 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1pff s LEU 292 N -2.68 4.34 0.54 0.99 1.43 -0.82 -4.96 118.68 117.51 1pff s LEU 292 Ca 0.24 1.33 0.35 0.00 -1.03 0.00 0.00 54.13 55.01 1pff s LEU 292 Cb 0.20 -3.22 1.90 0.00 0.03 0.00 0.00 46.19 45.10 1pff s LEU 292 CO 0.50 -0.15 2.07 -0.65 0.23 0.00 0.00 176.35 178.35 1pff h PRO 293 N 6.73 0.00 -0.30 1.29 0.11 -1.89 -0.98 132.00 136.96 1pff h PRO 293 Ca -0.41 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.70 1pff h PRO 293 Cb 1.20 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.31 1pff h PRO 293 CO 0.75 0.00 0.00 -0.40 -0.21 0.00 0.00 178.00 178.14 1pff n ASP 294 N -2.75 2.98 -4.71 -2.05 5.75 -1.26 -4.88 116.55 109.63 1pff n ASP 294 Ca -0.02 -1.93 -0.42 0.00 -0.01 0.00 0.00 54.79 52.41 1pff n ASP 294 Cb 0.08 -0.19 -0.03 0.00 -1.03 0.00 0.00 41.12 39.95 1pff n ASP 294 CO 0.00 0.00 0.00 -2.28 -0.11 0.00 0.00 177.20 174.81 1pff s HIS 295 N -1.63 3.42 0.29 2.11 2.46 -0.38 -4.98 115.29 116.59 1pff s HIS 295 Ca 0.36 1.28 -0.30 0.00 0.47 0.00 0.00 55.06 56.87 1pff s HIS 295 Cb 0.21 -3.44 -0.12 0.00 -0.13 0.00 0.00 32.58 29.10 1pff s HIS 295 CO 0.30 -1.36 1.51 -2.30 -2.47 0.00 0.00 174.74 170.42 1pff n PRO 296 N 3.92 2.45 -1.00 2.88 -0.02 -1.26 -1.45 135.00 140.52 1pff n PRO 296 Ca 0.09 0.87 0.00 0.00 -2.02 0.00 0.00 63.50 62.44 1pff n PRO 296 Cb 0.46 -2.60 0.00 0.00 -0.02 0.00 0.00 33.50 31.35 1pff n PRO 296 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1pff n GLY 297 N 1.95 0.46 0.30 -1.23 0.00 -1.26 -4.60 105.19 100.81 1pff n GLY 297 Ca 0.09 0.00 0.10 0.00 0.00 0.00 0.00 46.02 46.21 1pff n GLY 297 CO 0.00 0.00 0.00 0.84 0.00 0.00 0.00 173.32 174.16 1pff h HIS 298 N 0.00 0.50 -0.41 1.61 6.17 -1.48 -0.26 115.15 121.29 1pff h HIS 298 Ca 0.00 0.04 -0.10 0.00 0.71 0.00 0.00 60.37 61.02 1pff h HIS 298 Cb 0.09 -0.09 -0.02 0.00 2.52 0.00 0.00 27.41 29.91 1pff h HIS 298 CO 0.06 -0.06 -0.16 0.93 0.71 0.00 0.00 177.93 179.42 1pff h GLU 299 N 0.36 0.76 -0.17 5.26 4.39 -1.89 -0.40 114.58 122.88 1pff h GLU 299 Ca 0.50 -0.27 -0.01 0.00 0.34 0.00 0.00 59.36 59.92 1pff h GLU 299 Cb 0.91 -0.05 -0.01 0.00 -0.10 0.00 0.00 28.75 29.50 1pff h GLU 299 CO -0.52 0.88 0.08 0.82 -1.16 0.00 0.00 179.01 179.11 1pff h ILE 300 N 0.68 1.14 -0.83 3.13 2.04 -1.69 -2.35 117.51 119.64 1pff h ILE 300 Ca 0.11 -0.41 0.05 0.00 1.00 0.00 0.00 64.86 65.61 1pff h ILE 300 Cb 0.65 1.09 -0.05 0.00 -0.74 0.00 0.00 36.82 37.76 1pff h ILE 300 CO 0.05 0.13 0.52 0.00 0.00 0.00 0.00 178.15 178.85 1pff h ALA 301 N 0.94 1.11 -0.45 1.87 0.00 -0.85 -2.32 119.26 119.55 1pff h ALA 301 Ca 0.06 -0.02 -0.01 0.00 0.00 0.00 0.00 54.91 54.94 1pff h ALA 301 Cb 0.14 -0.25 -0.02 0.00 0.00 0.00 0.00 17.79 17.65 1pff h ALA 301 CO -0.01 0.30 0.25 -0.22 0.00 0.00 0.00 179.25 179.58 1pff h LYS 302 N 0.98 0.61 0.00 0.00 3.64 -0.84 0.23 116.57 121.19 1pff h LYS 302 Ca 0.34 -0.05 -0.16 0.00 -1.27 0.00 0.00 60.65 59.52 1pff h LYS 302 Cb 0.08 -0.13 -0.02 0.00 -0.41 0.00 0.00 32.23 31.75 1pff h LYS 302 CO -0.14 0.44 -0.84 1.57 -2.27 0.00 0.00 179.45 178.21 1pff h LYS 303 N 0.62 0.00 -0.02 1.90 2.10 -0.94 -3.38 116.57 116.85 1pff h LYS 303 Ca 0.16 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.81 1pff h LYS 303 Cb 0.01 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.34 1pff h LYS 303 CO -0.03 0.63 0.00 0.00 -2.00 0.00 0.00 179.45 178.05 1pff n GLN 304 N -3.21 0.22 -4.60 0.07 10.64 -0.92 -4.95 117.38 114.63 1pff n GLN 304 Ca -0.01 -1.01 -0.24 0.00 -1.83 0.00 0.00 57.00 53.90 1pff n GLN 304 Cb 0.83 -1.15 -0.16 0.00 -0.86 0.00 0.00 30.24 28.89 1pff n GLN 304 CO 0.00 0.00 0.00 -1.64 -1.83 0.00 0.00 177.06 173.59 1pff s MET 305 N -0.67 1.64 0.26 2.61 -1.94 0.78 -4.40 119.30 117.59 1pff s MET 305 Ca 0.09 -0.43 0.02 0.00 -1.71 0.00 0.00 55.69 53.67 1pff s MET 305 Cb 0.07 -1.38 0.36 0.00 2.01 0.00 0.00 34.83 35.88 1pff s MET 305 CO 0.10 0.06 1.67 0.87 -0.01 0.00 0.00 175.02 177.71 1pff h LYS 306 N 6.82 0.45 -4.56 2.03 1.57 -1.31 -3.42 116.57 118.14 1pff h LYS 306 Ca -0.31 -0.20 -0.33 0.00 -1.87 0.00 0.00 60.65 57.94 1pff h LYS 306 Cb 1.18 -0.01 -0.12 0.00 0.08 0.00 0.00 32.23 33.36 1pff h LYS 306 CO 0.48 0.73 -0.44 -1.64 -0.57 0.00 0.00 179.45 178.01 1pff s MET 307 N -4.32 1.61 -0.06 3.15 -1.94 -1.26 -5.09 119.30 111.39 1pff s MET 307 Ca -0.06 -1.80 0.21 0.00 -1.71 0.00 0.00 55.69 52.33 1pff s MET 307 Cb 0.13 0.34 0.69 0.00 2.01 0.00 0.00 34.83 38.01 1pff s MET 307 CO 0.80 -0.60 1.59 1.19 -0.01 0.00 0.00 175.02 177.98 1pff n PHE 308 N -0.49 1.24 0.00 -0.03 3.01 -1.26 -4.95 117.46 114.98 1pff n PHE 308 Ca 0.04 -0.55 0.00 0.00 1.01 0.00 0.00 57.45 57.95 1pff n PHE 308 Cb 0.63 -0.12 0.00 0.00 -0.01 0.00 0.00 39.48 39.98 1pff n PHE 308 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 1pff n GLY 309 N 1.43 -0.87 0.30 1.37 0.00 -1.26 -4.60 105.19 101.56 1pff n GLY 309 Ca 0.25 -1.68 0.03 0.00 0.00 0.00 0.00 46.02 44.63 1pff n GLY 309 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1pff n SER 310 N -0.82 1.85 -4.72 1.61 3.41 -1.26 -4.27 113.62 109.42 1pff n SER 310 Ca 0.00 -1.49 -0.38 0.00 -0.26 0.00 0.00 58.87 56.74 1pff n SER 310 Cb 0.00 -0.04 -0.06 0.00 -0.26 0.00 0.00 64.21 63.85 1pff n SER 310 CO 0.00 0.00 0.00 -0.04 -0.16 0.00 0.00 175.04 174.84 1pff s MET 311 N -0.69 4.34 0.04 4.33 -1.94 -1.26 -0.59 119.30 123.53 1pff s MET 311 Ca 0.10 0.49 0.05 0.00 -1.71 0.00 0.00 55.69 54.61 1pff s MET 311 Cb 0.06 -3.45 -0.02 0.00 2.01 0.00 0.00 34.83 33.43 1pff s MET 311 CO 0.09 0.12 -0.14 0.42 -0.01 0.00 0.00 175.02 175.50 1pff s ILE 312 N 0.75 1.07 0.14 2.53 1.01 0.24 -4.80 121.20 122.14 1pff s ILE 312 Ca 0.27 -1.05 0.07 0.00 0.00 0.00 0.00 60.65 59.94 1pff s ILE 312 Cb -0.15 -0.99 -0.04 0.00 0.01 0.00 0.00 42.46 41.29 1pff s ILE 312 CO 0.11 -0.06 -0.16 0.00 0.00 0.00 0.00 174.94 174.83 1pff s ALA 313 N -0.94 1.70 0.01 9.38 0.00 -0.74 0.05 121.76 131.22 1pff s ALA 313 Ca 0.00 -1.36 -0.18 0.00 0.00 0.00 0.00 51.96 50.42 1pff s ALA 313 Cb -0.08 -0.13 0.03 0.00 0.00 0.00 0.00 23.12 22.94 1pff s ALA 313 CO 0.01 0.17 0.40 -0.59 0.00 0.00 0.00 175.76 175.75 1pff s PHE 314 N -2.03 -0.27 -0.14 0.00 -0.71 0.09 0.06 117.98 114.97 1pff s PHE 314 Ca 0.11 0.33 -0.13 0.00 -1.04 0.00 0.00 56.93 56.20 1pff s PHE 314 Cb -0.06 0.19 -0.05 0.00 -1.21 0.00 0.00 43.02 41.90 1pff s PHE 314 CO 0.04 -0.51 0.27 -0.51 -1.34 0.00 0.00 175.22 173.18 1pff s ASP 315 N -1.67 6.45 0.39 1.98 1.01 -0.37 0.08 116.67 124.53 1pff s ASP 315 Ca -0.09 0.53 0.08 0.00 0.71 0.00 0.00 52.55 53.78 1pff s ASP 315 Cb -0.02 -2.17 -0.04 0.00 1.01 0.00 0.00 42.92 41.70 1pff s ASP 315 CO 0.01 0.17 0.19 0.68 0.21 0.00 0.00 175.17 176.44 1pff s VAL 316 N 0.11 2.62 -1.15 -1.27 -7.23 -0.37 -0.52 120.40 112.58 1pff s VAL 316 Ca 0.16 -1.65 -0.19 0.00 -1.81 0.00 0.00 61.98 58.49 1pff s VAL 316 Cb -0.13 -2.98 -0.04 0.00 0.56 0.00 0.00 36.38 33.78 1pff s VAL 316 CO 0.04 -0.07 1.95 -0.67 -0.31 0.00 0.00 175.10 176.05 1pff n ASP 318 N -1.25 3.52 0.00 4.85 2.03 -1.26 -4.56 116.55 119.88 1pff n ASP 318 Ca -0.01 -2.78 0.00 0.00 0.52 0.00 0.00 54.79 52.52 1pff n ASP 318 Cb 0.63 -1.54 0.00 0.00 -0.72 0.00 0.00 41.12 39.49 1pff n ASP 318 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 1pff n GLY 319 N 4.95 1.77 0.27 0.27 0.00 -1.26 -4.45 105.19 106.74 1pff n GLY 319 Ca 0.49 -1.99 0.05 0.00 0.00 0.00 0.00 46.02 44.57 1pff n GLY 319 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 1pff h LEU 320 N 0.00 -0.11 -0.44 0.99 5.85 -1.91 -2.12 115.31 117.58 1pff h LEU 320 Ca 0.00 0.16 -0.10 0.00 0.84 0.00 0.00 57.88 58.79 1pff h LEU 320 Cb 0.00 0.24 -0.01 0.00 0.37 0.00 0.00 40.66 41.26 1pff h LEU 320 CO 0.00 -0.09 -0.10 1.05 -0.34 0.00 0.00 178.44 178.96 1pff h GLU 321 N 0.20 0.84 -0.54 1.25 9.09 -1.91 -1.61 114.58 121.90 1pff h GLU 321 Ca 0.41 -0.32 -0.09 0.00 0.05 0.00 0.00 59.36 59.41 1pff h GLU 321 Cb 0.71 -0.05 -0.02 0.00 -1.65 0.00 0.00 28.75 27.74 1pff h GLU 321 CO -0.55 0.95 -0.00 0.87 0.05 0.00 0.00 179.01 180.32 1pff h LYS 322 N 0.67 0.96 -0.27 1.06 1.57 -1.71 0.13 116.57 118.97 1pff h LYS 322 Ca 0.11 -0.31 0.03 0.00 -1.87 0.00 0.00 60.65 58.61 1pff h LYS 322 Cb 0.63 -0.09 -0.03 0.00 0.08 0.00 0.00 32.23 32.83 1pff h LYS 322 CO 0.04 0.97 0.09 0.00 -0.57 0.00 0.00 179.45 179.98 1pff h ALA 323 N 0.95 0.31 -0.53 3.86 0.00 -1.21 0.35 119.26 122.99 1pff h ALA 323 Ca 0.15 0.03 -0.10 0.00 0.00 0.00 0.00 54.91 54.99 1pff h ALA 323 Cb 0.54 0.02 -0.02 0.00 0.00 0.00 0.00 17.79 18.33 1pff h ALA 323 CO 0.03 -0.32 -0.07 0.87 0.00 0.00 0.00 179.25 179.76 1pff h LYS 324 N 0.21 0.98 -0.48 0.00 1.79 -1.13 -1.95 116.57 115.99 1pff h LYS 324 Ca 0.12 -0.35 -0.07 0.00 -2.18 0.00 0.00 60.65 58.17 1pff h LYS 324 Cb 0.10 -0.07 -0.02 0.00 -1.58 0.00 0.00 32.23 30.65 1pff h LYS 324 CO -0.13 1.02 0.01 -0.22 -1.08 0.00 0.00 179.45 179.05 1pff h LYS 325 N 0.85 0.79 0.05 3.15 3.64 -0.46 0.17 116.57 124.76 1pff h LYS 325 Ca 0.14 -0.21 -0.00 0.00 -1.27 0.00 0.00 60.65 59.31 1pff h LYS 325 Cb 0.62 -0.09 0.00 0.00 -0.41 0.00 0.00 32.23 32.35 1pff h LYS 325 CO 0.04 0.79 -0.02 0.28 -2.27 0.00 0.00 179.45 178.27 1pff h VAL 326 N 0.74 1.02 -0.78 2.00 2.07 -0.80 -2.83 116.25 117.67 1pff h VAL 326 Ca 0.15 -0.23 0.02 0.00 0.82 0.00 0.00 66.70 67.45 1pff h VAL 326 Cb 0.44 1.17 -0.04 0.00 -1.52 0.00 0.00 31.29 31.34 1pff h VAL 326 CO 0.02 0.06 0.51 -0.07 0.02 0.00 0.00 177.57 178.10 1pff h LEU 327 N -0.16 0.87 -1.31 2.57 3.38 -0.92 -2.22 115.31 117.52 1pff h LEU 327 Ca -0.01 -0.02 0.00 0.00 0.09 0.00 0.00 57.88 57.95 1pff h LEU 327 Cb 0.14 -0.21 0.00 0.00 0.09 0.00 0.00 40.66 40.68 1pff h LEU 327 CO 0.01 0.62 0.00 0.44 0.09 0.00 0.00 178.44 179.60 1pff h ASP 328 N 1.03 0.00 -0.11 -0.43 3.32 -0.57 -2.98 116.42 116.67 1pff h ASP 328 Ca 0.29 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.34 1pff h ASP 328 Cb -0.08 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.47 1pff h ASP 328 CO -0.08 0.00 0.00 0.59 -1.72 0.00 0.00 179.24 178.03 1pff n ASN 329 N -2.44 2.74 -4.81 6.45 3.02 -0.84 -4.98 115.26 114.39 1pff n ASN 329 Ca 0.00 -2.69 -0.38 0.00 -0.03 0.00 0.00 54.58 51.48 1pff n ASN 329 Cb 0.15 -0.34 -0.06 0.00 -0.61 0.00 0.00 39.78 38.92 1pff n ASN 329 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1pff n HIS 331 N 1.65 -0.21 -0.07 0.00 8.25 -1.26 -4.83 115.22 118.74 1pff n HIS 331 Ca -0.10 0.04 -0.13 0.00 -0.26 0.00 0.00 57.72 57.27 1pff n HIS 331 Cb 0.51 0.12 -0.06 0.00 1.12 0.00 0.00 29.99 31.68 1pff n HIS 331 CO 0.00 0.00 0.00 0.28 0.64 0.00 0.00 176.34 177.26 1pff h VAL 332 N 0.00 1.33 -3.38 1.59 2.07 -1.94 -3.41 116.25 112.51 1pff h VAL 332 Ca 0.00 -1.40 -0.54 0.00 0.82 0.00 0.00 66.70 65.58 1pff h VAL 332 Cb 0.50 1.75 -0.03 0.00 -1.52 0.00 0.00 31.29 32.00 1pff h VAL 332 CO 0.00 0.43 0.37 -0.69 0.02 0.00 0.00 177.57 177.70 1pff s VAL 333 N -4.30 4.87 -0.01 2.57 1.01 -1.26 -4.78 120.40 118.50 1pff s VAL 333 Ca -0.13 1.99 -0.02 0.00 0.00 0.00 0.00 61.98 63.83 1pff s VAL 333 Cb 0.07 -4.29 -0.04 0.00 0.00 0.00 0.00 36.38 32.12 1pff s VAL 333 CO 0.79 0.15 0.13 -0.44 0.00 0.00 0.00 175.10 175.72 1pff s SER 334 N 1.00 6.00 0.27 3.32 0.01 -0.78 -4.76 113.70 118.77 1pff s SER 334 Ca 0.50 0.24 -0.29 0.00 1.31 0.00 0.00 55.95 57.71 1pff s SER 334 Cb -0.20 -1.80 -0.09 0.00 0.21 0.00 0.00 66.02 64.13 1pff s SER 334 CO 0.25 0.27 1.18 -0.76 0.41 0.00 0.00 173.24 174.59 1pff s LEU 335 N -1.82 4.50 -0.14 2.44 1.43 -1.26 -0.75 118.68 123.08 1pff s LEU 335 Ca 0.25 2.38 -0.19 0.00 -1.03 0.00 0.00 54.13 55.53 1pff s LEU 335 Cb -0.12 -3.63 0.05 0.00 0.03 0.00 0.00 46.19 42.52 1pff s LEU 335 CO 0.16 -0.30 0.50 0.00 0.23 0.00 0.00 176.35 176.94 1pff s ALA 336 N -0.91 -1.24 0.12 4.21 0.00 -0.80 -4.84 121.76 118.28 1pff s ALA 336 Ca 0.47 1.23 -0.07 0.00 0.00 0.00 0.00 51.96 53.60 1pff s ALA 336 Cb -0.34 -0.57 -0.12 0.00 0.00 0.00 0.00 23.12 22.08 1pff s ALA 336 CO 0.43 -0.26 1.28 0.28 0.00 0.00 0.00 175.76 177.49 1pff h VAL 337 N 4.09 1.37 -3.34 0.00 2.07 -1.92 -3.41 116.25 115.11 1pff h VAL 337 Ca -0.28 -2.38 -0.66 0.00 0.82 0.00 0.00 66.70 64.20 1pff h VAL 337 Cb 1.17 2.39 -0.28 0.00 -1.52 0.00 0.00 31.29 33.05 1pff h VAL 337 CO 0.25 0.72 -0.74 -0.55 0.02 0.00 0.00 177.57 177.26 1pff s SER 338 N -7.13 4.13 0.50 0.57 0.15 -1.26 -4.94 113.70 105.72 1pff s SER 338 Ca -0.07 -0.38 -0.02 0.00 0.70 0.00 0.00 55.95 56.19 1pff s SER 338 Cb 0.08 -1.68 0.00 0.00 -1.71 0.00 0.00 66.02 62.72 1pff s SER 338 CO 0.88 0.05 0.75 -0.76 1.20 0.00 0.00 173.24 175.36 1pff s LEU 339 N 1.04 3.51 0.00 3.45 1.43 -1.26 -5.04 118.68 121.81 1pff s LEU 339 Ca -0.00 0.41 0.00 0.00 -1.03 0.00 0.00 54.13 53.51 1pff s LEU 339 Cb -0.15 -3.27 0.00 0.00 0.03 0.00 0.00 46.19 42.80 1pff s LEU 339 CO -0.01 -0.83 0.00 0.61 0.23 0.00 0.00 176.35 176.35 1pff n GLY 340 N -2.24 2.73 0.00 -3.19 0.00 -1.26 -4.61 105.19 96.62 1pff n GLY 340 Ca 0.03 -1.88 0.00 0.00 0.00 0.00 0.00 46.02 44.16 1pff n GLY 340 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1pff n GLY 341 N 0.58 -1.84 0.05 -0.02 0.00 0.12 -4.73 105.19 99.36 1pff n GLY 341 Ca 0.00 -2.21 0.12 0.00 0.00 0.00 0.00 46.02 43.92 1pff n GLY 341 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1pff n PRO 342 N -0.43 0.10 -3.29 1.61 -0.04 -1.26 -4.51 135.00 127.18 1pff n PRO 342 Ca 0.00 0.19 -0.38 0.00 -0.04 0.00 0.00 63.50 63.27 1pff n PRO 342 Cb 0.00 -1.64 -0.06 0.00 -0.04 0.00 0.00 33.50 31.76 1pff n PRO 342 CO 0.00 0.00 0.00 -2.00 -0.04 0.00 0.00 175.50 173.46 1pff s GLU 343 N -3.08 4.24 0.07 0.54 2.12 -1.26 -0.97 118.70 120.35 1pff s GLU 343 Ca 0.10 0.63 -0.31 0.00 0.36 0.00 0.00 54.97 55.74 1pff s GLU 343 Cb 0.13 -3.32 -0.07 0.00 0.26 0.00 0.00 34.13 31.13 1pff s GLU 343 CO 0.45 0.43 1.32 -1.12 -0.54 0.00 0.00 175.26 175.80 1pff s SER 344 N -0.34 6.92 0.02 -1.70 0.01 -1.26 -4.25 113.70 113.11 1pff s SER 344 Ca 0.28 2.17 0.02 0.00 1.31 0.00 0.00 55.95 59.73 1pff s SER 344 Cb -0.18 -2.58 -0.02 0.00 0.21 0.00 0.00 66.02 63.46 1pff s SER 344 CO 0.15 -0.60 -0.07 -0.76 0.41 0.00 0.00 173.24 172.37 1pff s LEU 345 N 1.37 2.15 0.03 2.44 1.43 -0.13 -1.86 118.68 124.11 1pff s LEU 345 Ca 0.62 -0.36 0.01 0.00 -1.03 0.00 0.00 54.13 53.37 1pff s LEU 345 Cb -0.33 -0.22 -0.02 0.00 0.03 0.00 0.00 46.19 45.65 1pff s LEU 345 CO 0.29 -0.09 -0.05 -0.51 0.23 0.00 0.00 176.35 176.22 1pff s ILE 346 N -0.85 0.35 0.13 -0.59 2.07 0.07 -0.76 121.20 121.63 1pff s ILE 346 Ca -0.05 -0.83 -0.15 0.00 -1.41 0.00 0.00 60.65 58.22 1pff s ILE 346 Cb -0.07 -0.42 0.03 0.00 0.13 0.00 0.00 42.46 42.13 1pff s ILE 346 CO 0.00 -0.32 0.38 0.00 -1.91 0.00 0.00 174.94 173.09 1pff s GLN 347 N -1.22 1.06 -0.48 3.50 -2.07 -0.19 -1.91 119.66 118.35 1pff s GLN 347 Ca -0.09 -0.76 0.01 0.00 -1.82 0.00 0.00 55.36 52.70 1pff s GLN 347 Cb -0.08 0.45 0.13 0.00 -1.09 0.00 0.00 33.01 32.42 1pff s GLN 347 CO -0.00 -0.41 0.24 -1.58 -1.32 0.00 0.00 175.29 172.22 1pff s HIS 348 N -3.82 3.45 0.34 9.60 5.65 -1.26 -0.99 115.29 128.26 1pff s HIS 348 Ca 0.04 -2.92 0.06 0.00 0.25 0.00 0.00 55.06 52.49 1pff s HIS 348 Cb 0.02 -2.99 0.73 0.00 -1.18 0.00 0.00 32.58 29.16 1pff s HIS 348 CO -0.11 -0.85 1.89 -1.00 -0.65 0.00 0.00 174.74 174.02 1pff h PRO 349 N 7.13 0.77 -0.73 2.88 0.13 -1.93 0.26 132.00 140.51 1pff h PRO 349 Ca -0.06 -0.05 0.10 0.00 -0.87 0.00 0.00 66.00 65.12 1pff h PRO 349 Cb 0.96 -0.17 -0.05 0.00 0.13 0.00 0.00 31.00 31.87 1pff h PRO 349 CO 0.65 0.51 0.48 0.00 -0.23 0.00 0.00 178.00 179.41 1pff h ALA 350 N 1.58 1.85 0.00 -0.56 0.00 -1.85 -0.16 119.26 120.13 1pff h ALA 350 Ca 0.41 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.31 1pff h ALA 350 Cb 0.50 -0.14 0.00 0.00 0.00 0.00 0.00 17.79 18.16 1pff h ALA 350 CO -0.18 -0.01 -1.60 -1.13 0.00 0.00 0.00 179.25 176.33 1pff n SER 351 N -4.49 1.10 -0.08 0.00 3.41 -0.82 -2.85 113.62 109.89 1pff n SER 351 Ca 0.12 -0.15 -0.08 0.00 -0.26 0.00 0.00 58.87 58.51 1pff n SER 351 Cb 0.35 1.64 -0.13 0.00 -0.26 0.00 0.00 64.21 65.81 1pff n SER 351 CO 0.00 0.00 0.00 0.23 -0.16 0.00 0.00 175.04 175.11 1pff n MET 352 N -1.97 1.38 -0.00 4.33 2.81 0.02 -4.39 117.12 119.30 1pff n MET 352 Ca -0.02 -0.01 0.00 0.00 -1.81 0.00 0.00 57.70 55.86 1pff n MET 352 Cb 0.41 -1.41 -0.01 0.00 -0.71 0.00 0.00 33.22 31.49 1pff n MET 352 CO 0.00 0.00 0.00 0.25 1.51 0.00 0.00 175.97 177.73 1pff n THR 353 N -2.60 0.06 -1.54 2.03 -2.24 -0.53 -4.82 114.28 104.63 1pff n THR 353 Ca -0.26 -0.06 0.07 0.00 -2.27 0.00 0.00 64.05 61.53 1pff n THR 353 Cb 1.02 -0.22 0.17 0.00 -2.10 0.00 0.00 70.33 69.20 1pff n THR 353 CO 0.00 0.00 0.00 1.41 -0.57 0.00 0.00 175.07 175.91 1pff n HIS 354 N -1.80 0.00 0.23 4.78 8.25 -0.18 -4.81 115.22 121.68 1pff n HIS 354 Ca -0.02 -1.25 0.06 0.00 -0.26 0.00 0.00 57.72 56.25 1pff n HIS 354 Cb 0.29 -0.21 0.52 0.00 1.12 0.00 0.00 29.99 31.71 1pff n HIS 354 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 1pff h ALA 355 N 0.71 1.69 -0.05 -1.41 0.00 -1.73 -1.92 119.26 116.55 1pff h ALA 355 Ca -0.02 -0.16 0.00 0.00 0.00 0.00 0.00 54.91 54.74 1pff h ALA 355 Cb 1.08 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.84 1pff h ALA 355 CO 0.01 0.21 0.00 0.41 0.00 0.00 0.00 179.25 179.88 1pff n GLY 356 N -1.02 -0.18 3.73 0.00 0.00 -1.26 -4.80 105.19 101.65 1pff n GLY 356 Ca -0.02 -0.36 -0.35 0.00 0.00 0.00 0.00 46.02 45.28 1pff n GLY 356 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1pff s VAL 357 N -1.94 5.38 0.44 1.61 1.01 -0.72 -5.07 120.40 121.11 1pff s VAL 357 Ca 0.37 0.30 -0.25 0.00 0.00 0.00 0.00 61.98 62.40 1pff s VAL 357 Cb 0.19 -3.52 -0.09 0.00 0.00 0.00 0.00 36.38 32.97 1pff s VAL 357 CO 0.31 0.43 1.25 -2.65 0.00 0.00 0.00 175.10 174.44 1pff n PRO 358 N 3.48 1.82 -0.30 2.72 -0.02 -1.26 -4.74 135.00 136.70 1pff n PRO 358 Ca -0.15 0.65 0.08 0.00 -2.02 0.00 0.00 63.50 62.07 1pff n PRO 358 Cb 0.52 -2.37 0.20 0.00 -0.02 0.00 0.00 33.50 31.83 1pff n PRO 358 CO 0.00 0.00 0.00 -0.22 1.98 0.00 0.00 175.50 177.26 1pff h LYS 359 N 1.90 0.05 -0.62 -0.52 3.64 -1.95 -1.29 116.57 117.77 1pff h LYS 359 Ca -0.48 -0.00 -0.04 0.00 -1.27 0.00 0.00 60.65 58.86 1pff h LYS 359 Cb 1.30 -0.01 -0.03 0.00 -0.41 0.00 0.00 32.23 33.08 1pff h LYS 359 CO 0.59 0.03 0.23 0.93 -2.27 0.00 0.00 179.45 178.96 1pff h GLU 360 N 0.05 0.94 -0.28 1.90 3.07 -1.97 -1.95 114.58 116.33 1pff h GLU 360 Ca 0.49 -0.18 -0.13 0.00 -0.50 0.00 0.00 59.36 59.04 1pff h GLU 360 Cb 0.90 -0.15 -0.01 0.00 -0.84 0.00 0.00 28.75 28.65 1pff h GLU 360 CO -0.82 0.81 -0.35 0.93 -1.40 0.00 0.00 179.01 178.17 1pff h GLU 361 N 0.88 0.63 -0.39 2.33 5.08 -1.65 0.30 114.58 121.77 1pff h GLU 361 Ca 0.21 -0.30 -0.01 0.00 -1.00 0.00 0.00 59.36 58.26 1pff h GLU 361 Cb 0.23 -0.01 -0.02 0.00 0.50 0.00 0.00 28.75 29.46 1pff h GLU 361 CO -0.01 0.89 0.22 0.00 -1.00 0.00 0.00 179.01 179.11 1pff h ARG 362 N 0.53 0.53 0.01 2.33 3.08 -1.09 -2.51 114.38 117.27 1pff h ARG 362 Ca 0.05 -0.06 -0.00 0.00 0.07 0.00 0.00 59.98 60.05 1pff h ARG 362 Cb 0.86 -0.11 0.00 0.00 0.08 0.00 0.00 29.97 30.80 1pff h ARG 362 CO 0.07 0.42 -0.01 0.93 -1.07 0.00 0.00 179.97 180.32 1pff h GLU 363 N 0.50 -0.02 -0.59 0.04 5.08 -0.83 0.66 114.58 119.42 1pff h GLU 363 Ca 0.14 0.00 0.17 0.00 -1.00 0.00 0.00 59.36 58.67 1pff h GLU 363 Cb 0.03 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.26 1pff h GLU 363 CO -0.02 0.54 0.46 0.00 -1.00 0.00 0.00 179.01 178.98 1pff h ALA 364 N 0.39 2.50 -3.00 3.43 0.00 -0.45 -1.79 119.26 120.34 1pff h ALA 364 Ca -0.00 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.89 1pff h ALA 364 Cb 0.56 0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.39 1pff h ALA 364 CO 0.00 -0.76 0.00 0.00 0.00 0.00 0.00 179.25 178.49 1pff n ALA 365 N -2.59 0.00 0.00 0.00 0.00 -0.95 -4.97 120.51 112.00 1pff n ALA 365 Ca 0.11 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.55 1pff n ALA 365 Cb 0.69 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.14 1pff n ALA 365 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1pff n GLY 366 N 0.45 0.00 2.87 0.00 0.00 -0.67 -5.05 105.19 102.78 1pff n GLY 366 Ca 0.00 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.76 1pff n GLY 366 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 1pff s LEU 367 N 0.00 1.18 0.43 0.99 2.96 0.20 -4.87 118.68 119.57 1pff s LEU 367 Ca 0.00 -0.38 0.07 0.00 -0.22 0.00 0.00 54.13 53.60 1pff s LEU 367 Cb 0.00 -0.77 -0.03 0.00 0.50 0.00 0.00 46.19 45.89 1pff s LEU 367 CO 0.00 -0.16 0.28 0.42 -1.32 0.00 0.00 176.35 175.57 1pff s THR 368 N 1.75 2.35 -0.45 3.68 -4.23 -1.26 -2.15 115.64 115.32 1pff s THR 368 Ca 0.04 -1.54 0.24 0.00 -1.18 0.00 0.00 61.69 59.25 1pff s THR 368 Cb -0.13 -2.88 0.25 0.00 1.34 0.00 0.00 72.50 71.08 1pff s THR 368 CO -0.08 0.00 1.73 0.47 -0.54 0.00 0.00 174.62 176.20 1pff n ASP 369 N -1.42 0.71 0.21 3.99 8.00 -1.26 -2.96 116.55 123.81 1pff n ASP 369 Ca 0.00 0.67 0.12 0.00 0.71 0.00 0.00 54.79 56.30 1pff n ASP 369 Cb 0.63 -0.82 0.20 0.00 -0.02 0.00 0.00 41.12 41.11 1pff n ASP 369 CO 0.00 0.00 0.00 0.78 -0.39 0.00 0.00 177.20 177.59 1pff h ASN 370 N 0.00 0.00 -3.43 -2.24 -0.26 -1.85 -3.34 115.58 104.46 1pff h ASN 370 Ca 0.00 -0.00 -0.54 0.00 -0.56 0.00 0.00 56.30 55.20 1pff h ASN 370 Cb 0.37 0.00 -0.04 0.00 -1.06 0.00 0.00 38.32 37.60 1pff h ASN 370 CO 0.00 0.00 0.20 -0.22 -1.06 0.00 0.00 177.43 176.35 1pff s LEU 371 N -6.00 4.41 -0.04 1.61 2.96 -1.16 -1.24 118.68 119.23 1pff s LEU 371 Ca 0.07 1.46 0.06 0.00 -0.22 0.00 0.00 54.13 55.51 1pff s LEU 371 Cb 0.06 -3.30 -0.02 0.00 0.50 0.00 0.00 46.19 43.43 1pff s LEU 371 CO 0.66 -0.07 -0.22 -0.63 -1.32 0.00 0.00 176.35 174.77 1pff s ILE 372 N 0.34 2.39 -0.09 6.68 1.01 0.11 -4.23 121.20 127.40 1pff s ILE 372 Ca 0.42 -0.97 -0.00 0.00 0.00 0.00 0.00 60.65 60.10 1pff s ILE 372 Cb -0.20 -1.88 -0.03 0.00 0.01 0.00 0.00 42.46 40.36 1pff s ILE 372 CO 0.23 0.58 -0.07 -0.13 0.00 0.00 0.00 174.94 175.55 1pff s ARG 373 N -0.48 2.98 -0.07 2.79 0.52 -0.16 -0.73 118.95 123.80 1pff s ARG 373 Ca 0.06 -0.56 0.01 0.00 -0.52 0.00 0.00 55.73 54.71 1pff s ARG 373 Cb -0.11 -2.65 0.02 0.00 0.52 0.00 0.00 34.95 32.73 1pff s ARG 373 CO 0.01 0.54 -0.07 -1.17 0.02 0.00 0.00 175.30 174.63 1pff s LEU 374 N -0.46 1.29 -0.25 2.53 2.96 0.11 -1.03 118.68 123.83 1pff s LEU 374 Ca 0.07 -0.21 -0.08 0.00 -0.22 0.00 0.00 54.13 53.69 1pff s LEU 374 Cb -0.12 -0.65 -0.03 0.00 0.50 0.00 0.00 46.19 45.89 1pff s LEU 374 CO 0.02 -0.06 0.09 -0.94 -1.32 0.00 0.00 176.35 174.14 1pff s SER 375 N 1.16 5.28 -0.12 3.68 1.04 0.06 -0.59 113.70 124.22 1pff s SER 375 Ca -0.06 -0.17 -0.22 0.00 0.48 0.00 0.00 55.95 55.98 1pff s SER 375 Cb -0.14 -1.95 -0.03 0.00 0.10 0.00 0.00 66.02 63.99 1pff s SER 375 CO -0.01 -0.03 0.66 -0.69 0.98 0.00 0.00 173.24 174.15 1pff s VAL 376 N 1.61 5.04 0.00 5.02 1.01 0.24 -0.95 120.40 132.37 1pff s VAL 376 Ca 0.06 1.33 0.00 0.00 0.00 0.00 0.00 61.98 63.37 1pff s VAL 376 Cb -0.15 -3.99 0.00 0.00 0.00 0.00 0.00 36.38 32.23 1pff s VAL 376 CO 0.05 0.20 0.00 0.61 0.00 0.00 0.00 175.10 175.96 1pff n GLY 377 N 3.34 0.59 1.09 4.51 0.00 -1.26 -4.81 105.19 108.65 1pff n GLY 377 Ca -0.02 -1.86 0.12 0.00 0.00 0.00 0.00 46.02 44.26 1pff n GLY 377 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1pff s GLU 379 N -1.61 -0.06 -0.03 0.00 8.01 -1.26 -4.88 118.70 118.87 1pff s GLU 379 Ca 0.35 1.12 -0.35 0.00 0.01 0.00 0.00 54.97 56.10 1pff s GLU 379 Cb 0.22 -1.63 -0.13 0.00 -4.31 0.00 0.00 34.13 28.28 1pff s GLU 379 CO 0.31 -3.22 1.78 -1.71 0.01 0.00 0.00 175.26 172.42 1pff n ASN 380 N -4.60 3.23 0.25 -0.19 2.85 -1.26 -4.85 115.26 110.70 1pff n ASN 380 Ca 0.07 1.01 0.11 0.00 -0.11 0.00 0.00 54.58 55.66 1pff n ASN 380 Cb 0.53 -1.36 0.67 0.00 1.24 0.00 0.00 39.78 40.86 1pff n ASN 380 CO 0.00 0.00 0.00 1.62 -2.11 0.00 0.00 177.26 176.77 1pff h VAL 381 N 4.92 0.66 -0.80 3.44 3.04 -1.96 -1.67 116.25 123.89 1pff h VAL 381 Ca -0.47 -0.60 0.04 0.00 -1.01 0.00 0.00 66.70 64.65 1pff h VAL 381 Cb 1.27 1.38 -0.05 0.00 -2.01 0.00 0.00 31.29 31.88 1pff h VAL 381 CO 0.93 0.14 0.51 -0.61 -1.01 0.00 0.00 177.57 177.53 1pff h GLN 382 N 0.00 0.95 -0.41 4.17 5.75 -1.99 -0.01 115.11 123.57 1pff h GLN 382 Ca -0.00 -0.06 -0.07 0.00 -0.15 0.00 0.00 58.65 58.37 1pff h GLN 382 Cb 0.37 -0.21 -0.02 0.00 1.07 0.00 0.00 27.48 28.68 1pff h GLN 382 CO 0.02 0.63 -0.04 -0.44 -2.65 0.00 0.00 178.83 176.34 1pff h ASP 383 N 0.98 0.66 -0.07 -0.69 3.32 -1.68 -0.31 116.42 118.62 1pff h ASP 383 Ca 0.32 -0.16 -0.02 0.00 0.02 0.00 0.00 57.03 57.19 1pff h ASP 383 Cb 0.04 -0.17 -0.00 0.00 0.22 0.00 0.00 39.33 39.41 1pff h ASP 383 CO -0.12 0.76 -0.05 0.40 -1.72 0.00 0.00 179.24 178.50 1pff h ILE 384 N 0.64 1.35 -0.43 0.35 2.04 -1.27 -2.60 117.51 117.58 1pff h ILE 384 Ca 0.12 -1.14 -0.04 0.00 1.00 0.00 0.00 64.86 64.81 1pff h ILE 384 Cb 0.46 1.95 -0.02 0.00 -0.74 0.00 0.00 36.82 38.48 1pff h ILE 384 CO 0.02 0.32 0.12 0.40 0.00 0.00 0.00 178.15 179.00 1pff h ILE 385 N -0.24 1.23 -0.76 -0.67 2.04 -0.97 -2.00 117.51 116.13 1pff h ILE 385 Ca 0.01 -0.78 0.13 0.00 1.00 0.00 0.00 64.86 65.23 1pff h ILE 385 Cb 0.53 0.92 -0.09 0.00 -0.74 0.00 0.00 36.82 37.44 1pff h ILE 385 CO 0.01 0.27 0.35 0.44 0.00 0.00 0.00 178.15 179.23 1pff h ASP 386 N 0.56 0.39 -0.00 1.72 5.19 -1.10 0.33 116.42 123.50 1pff h ASP 386 Ca 0.14 0.09 -0.00 0.00 -0.62 0.00 0.00 57.03 56.64 1pff h ASP 386 Cb 0.30 0.04 -0.00 0.00 0.18 0.00 0.00 39.33 39.85 1pff h ASP 386 CO -0.00 0.18 0.00 -0.78 -3.12 0.00 0.00 179.24 175.52 1pff h ASP 387 N 0.53 0.01 -0.44 6.45 3.58 -1.18 -2.15 116.42 123.21 1pff h ASP 387 Ca 0.41 -0.22 -0.10 0.00 0.42 0.00 0.00 57.03 57.53 1pff h ASP 387 Cb 0.56 -0.00 -0.01 0.00 1.72 0.00 0.00 39.33 41.59 1pff h ASP 387 CO -0.35 0.22 -0.13 -0.07 -2.88 0.00 0.00 179.24 176.03 1pff h LEU 388 N -0.21 0.88 -0.13 2.28 3.38 -1.00 -2.71 115.31 117.79 1pff h LEU 388 Ca 0.00 -0.37 0.03 0.00 0.09 0.00 0.00 57.88 57.63 1pff h LEU 388 Cb 0.22 -0.24 -0.03 0.00 0.09 0.00 0.00 40.66 40.70 1pff h LEU 388 CO -0.00 1.05 -0.06 0.50 0.09 0.00 0.00 178.44 180.02 1pff h LYS 389 N 0.70 -0.04 -0.39 1.13 1.63 -0.35 0.70 116.57 119.95 1pff h LYS 389 Ca 0.11 0.00 0.04 0.00 -0.85 0.00 0.00 60.65 59.95 1pff h LYS 389 Cb 0.67 0.01 -0.04 0.00 -0.60 0.00 0.00 32.23 32.27 1pff h LYS 389 CO 0.05 -0.02 0.16 1.96 -3.45 0.00 0.00 179.45 178.15 1pff h GLN 390 N -0.04 0.33 -0.54 1.90 4.20 -1.36 -1.42 115.11 118.19 1pff h GLN 390 Ca 0.07 -0.02 -0.11 0.00 0.06 0.00 0.00 58.65 58.65 1pff h GLN 390 Cb 0.14 -0.07 -0.02 0.00 0.30 0.00 0.00 27.48 27.83 1pff h GLN 390 CO -0.16 0.22 -0.10 0.00 -0.67 0.00 0.00 178.83 178.12 1pff h ALA 391 N 1.24 0.81 -0.13 3.87 0.00 -1.13 -2.74 119.26 121.17 1pff h ALA 391 Ca 0.18 -0.34 -0.17 0.00 0.00 0.00 0.00 54.91 54.57 1pff h ALA 391 Cb 0.13 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 17.72 1pff h ALA 391 CO -0.16 0.66 -0.63 -0.07 0.00 0.00 0.00 179.25 179.05 1pff h LEU 392 N 0.89 0.55 -1.71 0.00 3.38 -0.71 -2.95 115.31 114.76 1pff h LEU 392 Ca 0.14 -0.33 -0.03 0.00 0.09 0.00 0.00 57.88 57.76 1pff h LEU 392 Cb 0.66 -0.16 -0.01 0.00 0.09 0.00 0.00 40.66 41.24 1pff h LEU 392 CO 0.05 1.05 -0.09 0.44 0.09 0.00 0.00 178.44 179.97 1pff h ASP 393 N 0.35 0.06 0.80 -0.43 3.32 -1.12 -2.13 116.42 117.28 1pff h ASP 393 Ca -0.01 -0.01 0.00 0.00 0.02 0.00 0.00 57.03 57.03 1pff h ASP 393 Cb 1.19 -0.02 0.00 0.00 0.22 0.00 0.00 39.33 40.72 1pff h ASP 393 CO 0.11 0.16 0.00 0.18 -1.72 0.00 0.00 179.24 177.98 1pff n LEU 394 N -4.39 0.24 0.00 1.55 4.77 -1.05 -2.67 117.00 115.45 1pff n LEU 394 Ca -0.02 0.54 0.11 0.00 -0.03 0.00 0.00 56.01 56.61 1pff n LEU 394 Cb 0.19 -0.49 -0.10 0.00 -2.33 0.00 0.00 43.42 40.69 1pff n LEU 394 CO 0.36 -0.24 -0.24 0.52 -1.33 0.00 0.00 177.39 176.45 1pff n VAL 395 N -1.75 0.04 1.51 4.08 0.31 -0.81 -5.07 118.33 116.65 1pff n VAL 395 Ca 0.04 -0.21 0.12 0.00 -0.01 0.00 0.00 64.34 64.29 1pff n VAL 395 Cb 0.26 0.50 0.71 0.00 -0.91 0.00 0.00 33.84 34.41 1pff n VAL 395 CO 0.00 0.00 0.00 0.18 -1.32 0.00 0.00 176.83 175.69