#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2ooi s ARG 74 N 0.00 0.11 -0.25 1.20 6.06 -1.26 -4.92 118.95 119.89 2ooi s ARG 74 Ca 0.00 0.19 -0.14 0.00 -2.50 0.00 0.00 55.73 53.28 2ooi s ARG 74 Cb 0.00 0.02 -0.04 0.00 0.06 0.00 0.00 34.95 34.99 2ooi s ARG 74 CO 0.00 -0.02 0.31 0.42 -2.50 0.00 0.00 175.30 173.51 2ooi s ILE 75 N 1.07 5.23 -0.11 4.11 1.01 0.23 -4.90 121.20 127.85 2ooi s ILE 75 Ca -0.08 0.46 -0.19 0.00 0.00 0.00 0.00 60.65 60.85 2ooi s ILE 75 Cb -0.03 -3.64 -0.04 0.00 0.01 0.00 0.00 42.46 38.76 2ooi s ILE 75 CO -0.11 0.22 0.50 0.21 0.00 0.00 0.00 174.94 175.76 2ooi s ASN 76 N 1.45 6.72 -0.00 3.58 3.04 -1.26 -1.41 114.94 127.06 2ooi s ASN 76 Ca 0.13 0.86 0.19 0.00 0.04 0.00 0.00 52.86 54.08 2ooi s ASN 76 Cb -0.15 -2.30 -0.21 0.00 -1.54 0.00 0.00 41.25 37.05 2ooi s ASN 76 CO 0.09 0.00 0.79 0.52 -3.04 0.00 0.00 177.10 175.46 2ooi n VAL 77 N 3.62 0.00 0.00 -5.21 0.31 -1.18 -4.74 118.33 111.13 2ooi n VAL 77 Ca -0.07 -0.07 0.00 0.00 -0.01 0.00 0.00 64.34 64.19 2ooi n VAL 77 Cb 0.52 0.95 0.00 0.00 -0.91 0.00 0.00 33.84 34.40 2ooi n VAL 77 CO 0.00 0.00 0.00 0.49 -1.32 0.00 0.00 176.83 176.00 2ooi n PHE 78 N -1.49 0.00 -2.75 3.52 0.99 -1.26 -4.57 117.46 111.89 2ooi n PHE 78 Ca 0.03 0.00 -0.06 0.00 -0.00 0.00 0.00 57.45 57.43 2ooi n PHE 78 Cb 0.31 -0.43 0.03 0.00 -1.00 0.00 0.00 39.48 38.38 2ooi n PHE 78 CO 0.00 0.00 0.00 1.17 -0.00 0.00 0.00 176.76 177.93 2ooi n LYS 79 N -1.43 0.63 -2.18 -1.08 4.81 -1.26 -5.08 118.16 112.56 2ooi n LYS 79 Ca 0.00 -1.90 -0.42 0.00 -0.87 0.00 0.00 58.31 55.12 2ooi n LYS 79 Cb 0.02 -1.45 -0.00 0.00 0.02 0.00 0.00 35.03 33.61 2ooi n LYS 79 CO 0.00 0.00 0.00 -2.37 1.17 0.00 0.00 177.40 176.20 2ooi n THR 80 N 2.43 3.61 -3.89 3.15 5.66 -1.26 -4.79 114.28 119.18 2ooi n THR 80 Ca 0.14 -3.51 0.00 0.00 -3.05 0.00 0.00 64.05 57.63 2ooi n THR 80 Cb 0.59 -2.44 0.00 0.00 -1.55 0.00 0.00 70.33 66.92 2ooi n THR 80 CO 0.00 0.00 0.00 0.59 -3.05 0.00 0.00 175.07 172.61 2ooi n ASN 81 N 7.70 0.21 -4.91 1.09 3.02 -1.26 -5.00 115.26 116.11 2ooi n ASN 81 Ca 0.50 -0.89 -0.27 0.00 -0.03 0.00 0.00 54.58 53.89 2ooi n ASN 81 Cb 0.43 0.00 0.01 0.00 -0.61 0.00 0.00 39.78 39.61 2ooi n ASN 81 CO 0.00 0.00 0.00 -0.83 -2.62 0.00 0.00 177.26 173.81 2ooi s GLY 82 N -0.89 1.54 0.41 7.41 0.00 -1.26 -4.92 107.32 109.61 2ooi s GLY 82 Ca 0.00 -0.61 0.17 0.00 0.00 0.00 0.00 44.72 44.28 2ooi s GLY 82 CO 0.00 -0.40 1.89 0.74 0.00 0.00 0.00 173.10 175.32 2ooi h PHE 83 N 0.09 0.00 -0.76 1.90 0.04 -1.97 0.18 116.94 116.42 2ooi h PHE 83 Ca -0.46 0.00 0.04 0.00 2.80 0.00 0.00 57.97 60.34 2ooi h PHE 83 Cb 1.23 0.00 -0.05 0.00 2.20 0.00 0.00 35.95 39.33 2ooi h PHE 83 CO 0.53 0.30 0.47 0.77 -0.60 0.00 0.00 178.31 179.78 2ooi h SER 84 N 0.00 0.77 0.71 2.17 0.02 -1.94 -0.78 113.55 114.51 2ooi h SER 84 Ca -0.00 0.00 -0.20 0.00 -0.84 0.00 0.00 61.79 60.75 2ooi h SER 84 Cb 0.58 -0.16 -0.02 0.00 0.14 0.00 0.00 62.40 62.94 2ooi h SER 84 CO 0.04 0.53 -0.90 0.50 -1.14 0.00 0.00 176.83 175.85 2ooi h LYS 85 N 0.92 0.12 -0.38 3.45 3.64 -1.69 -2.66 116.57 119.96 2ooi h LYS 85 Ca 0.31 -0.14 -0.04 0.00 -1.27 0.00 0.00 60.65 59.51 2ooi h LYS 85 Cb 0.04 0.04 -0.02 0.00 -0.41 0.00 0.00 32.23 31.89 2ooi h LYS 85 CO -0.12 0.94 0.10 1.03 -2.27 0.00 0.00 179.45 179.13 2ooi h SER 86 N 0.06 0.57 0.00 4.20 0.87 -0.00 -3.42 113.55 115.83 2ooi h SER 86 Ca -0.04 -0.23 0.00 0.00 -1.23 0.00 0.00 61.79 60.30 2ooi h SER 86 Cb 1.56 -0.15 0.00 0.00 -0.44 0.00 0.00 62.40 63.37 2ooi h SER 86 CO 0.13 0.65 -0.02 0.18 -0.53 0.00 0.00 176.83 177.24 2ooi n LEU 87 N -4.59 0.29 0.00 2.23 4.32 -0.36 -4.70 117.00 114.19 2ooi n LEU 87 Ca -0.01 0.04 0.00 0.00 -0.02 0.00 0.00 56.01 56.02 2ooi n LEU 87 Cb 0.20 -0.13 0.00 0.00 -1.62 0.00 0.00 43.42 41.87 2ooi n LEU 87 CO 0.38 -0.55 0.00 0.61 -1.22 0.00 0.00 177.39 176.61 2ooi n GLY 88 N 3.32 5.20 4.52 -0.72 0.00 -1.00 -5.05 105.19 111.46 2ooi n GLY 88 Ca -0.00 -1.58 0.00 0.00 0.00 0.00 0.00 46.02 44.43 2ooi n GLY 88 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2ooi n ARG 91 N 0.00 0.00 -2.23 1.61 3.00 -1.26 -4.82 116.66 112.96 2ooi n ARG 91 Ca 0.00 0.00 -0.42 0.00 -0.01 0.00 0.00 57.85 57.42 2ooi n ARG 91 Cb 0.00 -0.02 -0.03 0.00 0.00 0.00 0.00 32.46 32.41 2ooi n ARG 91 CO 0.00 0.00 0.00 -1.64 0.00 0.00 0.00 177.63 175.99 2ooi s MET 92 N 0.00 4.33 0.18 5.56 -1.94 -1.26 -2.64 119.30 123.53 2ooi s MET 92 Ca 0.00 1.98 0.02 0.00 -1.71 0.00 0.00 55.69 55.98 2ooi s MET 92 Cb 0.00 -3.36 -0.05 0.00 2.01 0.00 0.00 34.83 33.44 2ooi s MET 92 CO 0.00 -0.44 0.01 0.95 -0.01 0.00 0.00 175.02 175.53 2ooi s THR 93 N 1.45 0.68 0.02 2.05 -4.23 -0.53 -5.00 115.64 110.08 2ooi s THR 93 Ca 0.63 -1.98 -0.11 0.00 -1.18 0.00 0.00 61.69 59.04 2ooi s THR 93 Cb -0.34 -2.17 0.01 0.00 1.34 0.00 0.00 72.50 71.35 2ooi s THR 93 CO 0.29 -0.43 0.24 -0.94 -0.54 0.00 0.00 174.62 173.23 2ooi s SER 94 N -3.19 -0.06 -0.18 3.99 1.04 -1.26 -0.37 113.70 113.69 2ooi s SER 94 Ca 0.25 -0.19 -0.01 0.00 0.48 0.00 0.00 55.95 56.48 2ooi s SER 94 Cb 0.06 0.29 -0.01 0.00 0.10 0.00 0.00 66.02 66.47 2ooi s SER 94 CO 0.05 -0.51 -0.11 -0.75 0.98 0.00 0.00 173.24 172.90 2ooi s LYS 95 N -2.06 3.30 -0.20 4.02 2.20 0.14 -4.91 119.74 122.23 2ooi s LYS 95 Ca -0.09 -0.69 -0.27 0.00 -0.36 0.00 0.00 55.97 54.56 2ooi s LYS 95 Cb -0.03 -2.76 -0.00 0.00 -1.51 0.00 0.00 37.83 33.52 2ooi s LYS 95 CO -0.01 -0.03 0.95 0.08 -0.36 0.00 0.00 175.35 175.97 2ooi s VAL 96 N 0.99 4.77 -0.16 4.02 1.01 -1.26 -0.41 120.40 129.36 2ooi s VAL 96 Ca -0.01 1.85 0.06 0.00 0.00 0.00 0.00 61.98 63.87 2ooi s VAL 96 Cb -0.15 -4.23 -0.23 0.00 0.00 0.00 0.00 36.38 31.77 2ooi s VAL 96 CO -0.01 -0.08 0.21 0.18 0.00 0.00 0.00 175.10 175.39 2ooi n LEU 97 N 5.80 1.71 -3.74 3.92 4.77 0.14 -4.97 117.00 124.65 2ooi n LEU 97 Ca 0.08 0.12 -0.13 0.00 -0.03 0.00 0.00 56.01 56.05 2ooi n LEU 97 Cb 0.47 -0.39 -0.11 0.00 -2.33 0.00 0.00 43.42 41.07 2ooi n LEU 97 CO 0.50 0.69 0.04 -0.69 -1.33 0.00 0.00 177.39 176.60 2ooi s VAL 98 N -2.54 -0.01 -0.15 4.08 1.01 -1.02 -4.94 120.40 116.83 2ooi s VAL 98 Ca -0.19 0.02 -0.04 0.00 0.00 0.00 0.00 61.98 61.77 2ooi s VAL 98 Cb 0.07 -0.53 0.07 0.00 0.00 0.00 0.00 36.38 36.00 2ooi s VAL 98 CO 0.75 0.01 0.23 0.12 0.00 0.00 0.00 175.10 176.21 2ooi s PHE 99 N 0.44 -0.33 0.04 5.22 5.36 -1.26 -1.61 117.98 125.84 2ooi s PHE 99 Ca -0.02 0.60 0.07 0.00 -0.96 0.00 0.00 56.93 56.61 2ooi s PHE 99 Cb -0.04 -0.21 -0.02 0.00 -0.34 0.00 0.00 43.02 42.41 2ooi s PHE 99 CO -0.02 -0.45 -0.20 0.15 -1.46 0.00 0.00 175.22 173.24 2ooi s LYS 100 N 2.36 1.35 -0.23 10.12 1.02 -0.10 -4.98 119.74 129.28 2ooi s LYS 100 Ca 0.04 -0.88 -0.15 0.00 0.02 0.00 0.00 55.97 55.00 2ooi s LYS 100 Cb -0.14 -1.43 -0.04 0.00 -0.52 0.00 0.00 37.83 35.70 2ooi s LYS 100 CO -0.10 0.37 0.38 -2.00 -0.92 0.00 0.00 175.35 173.08 2ooi s GLU 101 N -1.07 4.11 -0.27 1.68 2.12 -1.26 -0.32 118.70 123.69 2ooi s GLU 101 Ca 0.07 0.12 -0.03 0.00 0.36 0.00 0.00 54.97 55.49 2ooi s GLU 101 Cb -0.08 -3.58 0.03 0.00 0.26 0.00 0.00 34.13 30.76 2ooi s GLU 101 CO 0.01 -0.12 -0.02 -1.64 -0.54 0.00 0.00 175.26 172.96 2ooi s MET 102 N 1.56 2.81 0.40 4.30 -1.94 0.68 -4.97 119.30 122.14 2ooi s MET 102 Ca 0.17 -1.01 0.15 0.00 -1.71 0.00 0.00 55.69 53.29 2ooi s MET 102 Cb -0.15 -3.11 0.85 0.00 2.01 0.00 0.00 34.83 34.43 2ooi s MET 102 CO 0.08 -0.46 1.88 0.00 -0.01 0.00 0.00 175.02 176.52 2ooi h ALA 103 N 8.06 1.42 -3.69 3.03 0.00 -1.90 -2.15 119.26 124.03 2ooi h ALA 103 Ca -0.30 -0.28 -0.66 0.00 0.00 0.00 0.00 54.91 53.67 2ooi h ALA 103 Cb 1.10 -0.05 -0.39 0.00 0.00 0.00 0.00 17.79 18.45 2ooi h ALA 103 CO 0.57 0.38 -0.72 0.99 0.00 0.00 0.00 179.25 180.47 2ooi s THR 104 N -4.26 2.30 0.60 0.00 2.01 -1.26 -4.46 115.64 110.56 2ooi s THR 104 Ca -0.03 -2.24 -0.18 0.00 0.31 0.00 0.00 61.69 59.55 2ooi s THR 104 Cb 0.14 -2.65 -0.03 0.00 0.01 0.00 0.00 72.50 69.97 2ooi s THR 104 CO 0.70 -0.52 1.16 -2.16 -0.69 0.00 0.00 174.62 173.12 2ooi s PRO 105 N 0.94 3.01 0.96 4.92 0.04 -1.26 -4.99 135.00 138.61 2ooi s PRO 105 Ca 0.08 1.68 -0.11 0.00 0.04 0.00 0.00 61.00 62.68 2ooi s PRO 105 Cb -0.19 -1.95 0.13 0.00 0.04 0.00 0.00 34.50 32.53 2ooi s PRO 105 CO -0.07 -1.14 0.89 -2.30 0.04 0.00 0.00 177.00 174.42 2ooi n PRO 106 N -1.72 -0.65 -0.03 0.56 -0.02 -1.26 -4.67 135.00 127.22 2ooi n PRO 106 Ca 0.12 -0.14 -0.09 0.00 -2.02 0.00 0.00 63.50 61.38 2ooi n PRO 106 Cb 0.50 -2.19 -0.02 0.00 -0.02 0.00 0.00 33.50 31.77 2ooi n PRO 106 CO 0.00 0.00 0.00 -0.22 1.98 0.00 0.00 175.50 177.26 2ooi h LYS 107 N -1.90 -0.24 0.00 -0.52 3.64 -2.00 -0.75 116.57 114.81 2ooi h LYS 107 Ca -0.45 0.02 -0.02 0.00 -1.27 0.00 0.00 60.65 58.93 2ooi h LYS 107 Cb 1.28 0.05 -0.00 0.00 -0.41 0.00 0.00 32.23 33.15 2ooi h LYS 107 CO 0.40 -0.16 -0.08 0.66 -2.27 0.00 0.00 179.45 178.00 2ooi h SER 108 N -0.25 0.00 0.43 4.20 4.64 -1.99 -1.49 113.55 119.09 2ooi h SER 108 Ca 0.12 0.00 -0.19 0.00 -0.47 0.00 0.00 61.79 61.25 2ooi h SER 108 Cb 0.43 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.51 2ooi h SER 108 CO -0.34 0.08 -0.79 0.58 -0.87 0.00 0.00 176.83 175.49 2ooi h VAL 109 N 0.00 1.43 0.06 0.95 2.07 -1.66 -0.20 116.25 118.90 2ooi h VAL 109 Ca -0.00 -2.35 -0.00 0.00 0.82 0.00 0.00 66.70 65.17 2ooi h VAL 109 Cb 0.69 2.28 0.00 0.00 -1.52 0.00 0.00 31.29 32.73 2ooi h VAL 109 CO 0.01 0.69 -0.03 1.56 0.02 0.00 0.00 177.57 179.83 2ooi h GLN 110 N 0.17 -0.07 0.18 1.57 4.20 -0.42 0.26 115.11 121.00 2ooi h GLN 110 Ca -0.04 0.00 0.01 0.00 0.06 0.00 0.00 58.65 58.69 2ooi h GLN 110 Cb 1.38 0.02 -0.04 0.00 0.30 0.00 0.00 27.48 29.13 2ooi h GLN 110 CO 0.13 0.11 -0.51 0.22 -0.67 0.00 0.00 178.83 178.11 2ooi h ASP 111 N -0.25 -1.51 -0.39 1.46 1.82 -1.30 -0.26 116.42 115.99 2ooi h ASP 111 Ca -0.01 0.15 -0.11 0.00 -0.39 0.00 0.00 57.03 56.68 2ooi h ASP 111 Cb 0.22 0.55 -0.01 0.00 0.68 0.00 0.00 39.33 40.76 2ooi h ASP 111 CO 0.01 -0.56 -0.18 -0.08 -1.61 0.00 0.00 179.24 176.82 2ooi h GLU 112 N -0.77 0.82 -0.10 0.28 4.81 -0.89 -1.37 114.58 117.36 2ooi h GLU 112 Ca -0.02 -0.35 0.00 0.00 -0.13 0.00 0.00 59.36 58.86 2ooi h GLU 112 Cb 0.75 -0.02 0.00 0.00 0.63 0.00 0.00 28.75 30.11 2ooi h GLU 112 CO -0.24 0.98 0.00 1.28 -0.73 0.00 0.00 179.01 180.30 2ooi n LEU 113 N -4.26 0.91 -3.48 1.64 4.77 0.89 -4.92 117.00 112.56 2ooi n LEU 113 Ca -0.02 -0.39 -0.18 0.00 -0.03 0.00 0.00 56.01 55.40 2ooi n LEU 113 Cb 0.42 -0.06 0.02 0.00 -2.33 0.00 0.00 43.42 41.46 2ooi n LEU 113 CO 0.44 0.19 0.03 0.00 -1.33 0.00 0.00 177.39 176.73 2ooi n GLN 114 N -0.16 -1.39 -4.26 3.23 6.02 -0.30 -4.68 117.38 115.85 2ooi n GLN 114 Ca 0.14 0.94 -0.25 0.00 -0.01 0.00 0.00 57.00 57.82 2ooi n GLN 114 Cb 0.20 -4.22 -0.08 0.00 1.02 0.00 0.00 30.24 27.16 2ooi n GLN 114 CO 0.00 0.00 0.00 -0.51 -1.01 0.00 0.00 177.06 175.54 2ooi s LEU 115 N -5.09 3.05 0.63 1.08 1.02 -0.26 -5.04 118.68 114.07 2ooi s LEU 115 Ca 0.16 -1.09 -0.04 0.00 0.02 0.00 0.00 54.13 53.18 2ooi s LEU 115 Cb -0.05 -1.34 0.04 0.00 0.02 0.00 0.00 46.19 44.85 2ooi s LEU 115 CO 0.83 -0.45 0.91 0.20 0.02 0.00 0.00 176.35 177.86 2ooi s ASN 116 N -3.83 5.13 -0.34 2.29 0.02 -1.26 -4.85 114.94 112.10 2ooi s ASN 116 Ca 0.38 0.36 0.02 0.00 -1.02 0.00 0.00 52.86 52.60 2ooi s ASN 116 Cb 0.04 -1.16 0.45 0.00 0.02 0.00 0.00 41.25 40.60 2ooi s ASN 116 CO 0.21 -1.33 1.70 0.00 0.02 0.00 0.00 177.10 177.70 2ooi n ALA 117 N -2.66 4.83 -1.81 0.60 0.00 -1.26 -4.83 120.51 115.39 2ooi n ALA 117 Ca 0.07 -2.11 0.00 0.00 0.00 0.00 0.00 53.44 51.40 2ooi n ALA 117 Cb 0.60 -1.35 0.00 0.00 0.00 0.00 0.00 19.45 18.69 2ooi n ALA 117 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 2ooi n ASP 119 N -0.60 -4.55 -4.93 0.00 8.00 -1.26 -4.46 116.55 108.75 2ooi n ASP 119 Ca 0.43 1.22 -0.27 0.00 0.71 0.00 0.00 54.79 56.87 2ooi n ASP 119 Cb 1.23 -3.34 -0.03 0.00 -0.02 0.00 0.00 41.12 38.96 2ooi n ASP 119 CO 0.00 0.00 0.00 0.42 -0.39 0.00 0.00 177.20 177.23 2ooi s THR 120 N -0.27 5.22 0.06 -3.53 -4.23 -1.26 -4.60 115.64 107.02 2ooi s THR 120 Ca 0.00 -0.41 0.05 0.00 -1.18 0.00 0.00 61.69 60.16 2ooi s THR 120 Cb 0.00 -3.74 -0.03 0.00 1.34 0.00 0.00 72.50 70.08 2ooi s THR 120 CO 0.00 -0.17 -0.15 0.68 -0.54 0.00 0.00 174.62 174.44 2ooi s VAL 121 N -1.86 1.22 0.03 2.29 -7.23 -0.81 -1.60 120.40 112.44 2ooi s VAL 121 Ca 0.38 -1.17 -0.18 0.00 -1.81 0.00 0.00 61.98 59.20 2ooi s VAL 121 Cb -0.11 -1.12 -0.06 0.00 0.56 0.00 0.00 36.38 35.65 2ooi s VAL 121 CO 0.29 -0.06 0.52 -0.31 -0.31 0.00 0.00 175.10 175.24 2ooi s TYR 122 N -1.01 3.75 -0.10 2.82 1.51 -0.43 -0.23 117.35 123.66 2ooi s TYR 122 Ca 0.01 1.16 0.02 0.00 -1.01 0.00 0.00 57.07 57.25 2ooi s TYR 122 Cb -0.09 -2.46 -0.02 0.00 -0.11 0.00 0.00 41.96 39.28 2ooi s TYR 122 CO 0.02 0.54 -0.15 -0.47 -1.11 0.00 0.00 175.55 174.38 2ooi s TYR 123 N -0.83 2.74 0.00 2.71 5.04 0.57 -1.44 117.35 126.13 2ooi s TYR 123 Ca 0.28 -0.51 -0.02 0.00 -2.44 0.00 0.00 57.07 54.37 2ooi s TYR 123 Cb -0.18 -1.75 -0.01 0.00 0.35 0.00 0.00 41.96 40.37 2ooi s TYR 123 CO 0.17 -0.09 0.04 -0.48 -1.34 0.00 0.00 175.55 173.84 2ooi s LEU 124 N -0.04 1.92 -0.10 6.97 2.34 -0.88 -0.92 118.68 127.98 2ooi s LEU 124 Ca -0.04 -0.21 0.01 0.00 0.06 0.00 0.00 54.13 53.95 2ooi s LEU 124 Cb -0.14 0.26 -0.02 0.00 -0.56 0.00 0.00 46.19 45.73 2ooi s LEU 124 CO 0.04 -0.21 -0.11 -1.61 -1.06 0.00 0.00 176.35 173.40 2ooi s GLU 125 N -0.90 3.03 -0.02 1.48 2.02 -0.63 -1.34 118.70 122.33 2ooi s GLU 125 Ca -0.10 -0.63 0.01 0.00 0.02 0.00 0.00 54.97 54.26 2ooi s GLU 125 Cb -0.06 -2.59 0.02 0.00 0.10 0.00 0.00 34.13 31.60 2ooi s GLU 125 CO -0.00 0.44 -0.01 0.50 0.02 0.00 0.00 175.26 176.21 2ooi s ARG 126 N -0.22 0.31 -0.24 1.61 3.52 -0.42 0.29 118.95 123.79 2ooi s ARG 126 Ca 0.02 0.00 -0.07 0.00 -0.13 0.00 0.00 55.73 55.55 2ooi s ARG 126 Cb -0.13 -0.41 -0.03 0.00 -1.56 0.00 0.00 34.95 32.82 2ooi s ARG 126 CO 0.03 -0.06 0.07 -1.17 -0.81 0.00 0.00 175.30 173.35 2ooi s LEU 127 N 0.63 3.47 -0.03 -0.88 2.96 0.45 -0.43 118.68 124.85 2ooi s LEU 127 Ca -0.06 -0.18 0.03 0.00 -0.22 0.00 0.00 54.13 53.70 2ooi s LEU 127 Cb -0.09 -1.92 -0.03 0.00 0.50 0.00 0.00 46.19 44.64 2ooi s LEU 127 CO -0.01 -0.01 -0.12 -0.13 -1.32 0.00 0.00 176.35 174.76 2ooi s ARG 128 N 1.46 2.50 0.02 1.98 0.52 0.06 0.26 118.95 125.75 2ooi s ARG 128 Ca 0.06 -0.71 0.06 0.00 -0.52 0.00 0.00 55.73 54.62 2ooi s ARG 128 Cb -0.15 -2.41 -0.02 0.00 0.52 0.00 0.00 34.95 32.89 2ooi s ARG 128 CO 0.03 0.62 -0.19 -0.06 0.02 0.00 0.00 175.30 175.73 2ooi s PHE 129 N -0.82 1.64 -0.31 -0.53 0.08 0.51 0.47 117.98 119.03 2ooi s PHE 129 Ca 0.13 -0.35 0.00 0.00 0.12 0.00 0.00 56.93 56.84 2ooi s PHE 129 Cb -0.11 -1.00 0.07 0.00 -0.57 0.00 0.00 43.02 41.41 2ooi s PHE 129 CO 0.02 0.04 0.00 0.14 -0.10 0.00 0.00 175.22 175.33 2ooi s VAL 130 N -0.68 2.71 -0.82 -0.44 -7.23 0.32 -1.45 120.40 112.82 2ooi s VAL 130 Ca 0.06 -1.66 -0.04 0.00 -1.81 0.00 0.00 61.98 58.54 2ooi s VAL 130 Cb -0.08 -2.66 0.00 0.00 0.56 0.00 0.00 36.38 34.20 2ooi s VAL 130 CO 0.01 -0.22 0.51 0.47 -0.31 0.00 0.00 175.10 175.56 2ooi n ASP 131 N 4.52 -4.32 0.00 4.85 8.00 -1.08 -2.25 116.55 126.26 2ooi n ASP 131 Ca -0.10 -0.24 0.00 0.00 0.71 0.00 0.00 54.79 55.16 2ooi n ASP 131 Cb 0.43 -3.04 0.00 0.00 -0.02 0.00 0.00 41.12 38.48 2ooi n ASP 131 CO 0.00 0.00 0.00 0.47 -0.39 0.00 0.00 177.20 177.28 2ooi n ASP 132 N -0.86 0.00 -4.68 -2.24 8.00 -1.26 -4.99 116.55 110.51 2ooi n ASP 132 Ca -0.03 0.00 -0.41 0.00 0.71 0.00 0.00 54.79 55.06 2ooi n ASP 132 Cb 0.55 -0.62 -0.04 0.00 -0.02 0.00 0.00 41.12 40.99 2ooi n ASP 132 CO 0.00 0.00 0.00 -1.81 -0.39 0.00 0.00 177.20 175.00 2ooi s ASP 133 N -3.09 6.95 0.09 -2.24 1.11 -0.96 -5.04 116.67 113.50 2ooi s ASP 133 Ca 0.00 1.16 -0.31 0.00 0.18 0.00 0.00 52.55 53.58 2ooi s ASP 133 Cb 0.00 -2.43 -0.08 0.00 1.07 0.00 0.00 42.92 41.47 2ooi s ASP 133 CO 0.00 -0.29 1.59 0.54 1.18 0.00 0.00 175.17 178.19 2ooi s VAL 134 N 1.66 3.01 -0.26 -1.27 0.11 -1.26 -0.52 120.40 121.87 2ooi s VAL 134 Ca 0.38 0.56 -0.11 0.00 -2.93 0.00 0.00 61.98 59.88 2ooi s VAL 134 Cb -0.17 -3.36 -0.12 0.00 -1.53 0.00 0.00 36.38 31.20 2ooi s VAL 134 CO 0.15 0.01 -0.32 -0.11 -3.33 0.00 0.00 175.10 171.50 2ooi n LEU 135 N 5.05 2.00 -3.52 2.54 7.94 0.18 -4.74 117.00 126.45 2ooi n LEU 135 Ca 0.15 0.25 -0.08 0.00 -1.11 0.00 0.00 56.01 55.22 2ooi n LEU 135 Cb 0.40 -0.78 -0.02 0.00 0.53 0.00 0.00 43.42 43.56 2ooi n LEU 135 CO 0.62 0.60 0.72 0.00 -1.11 0.00 0.00 177.39 178.21 2ooi s ILE 137 N -3.06 5.42 -0.14 0.00 1.01 -0.36 -0.76 121.20 123.30 2ooi s ILE 137 Ca 0.06 0.27 0.02 0.00 0.00 0.00 0.00 60.65 60.99 2ooi s ILE 137 Cb -0.01 -3.47 0.00 0.00 0.01 0.00 0.00 42.46 38.99 2ooi s ILE 137 CO -0.08 0.51 -0.19 -0.70 0.00 0.00 0.00 174.94 174.48 2ooi s GLU 138 N -0.23 3.11 -0.30 2.79 2.12 0.43 -0.81 118.70 125.81 2ooi s GLU 138 Ca 0.12 -0.81 -0.04 0.00 0.36 0.00 0.00 54.97 54.61 2ooi s GLU 138 Cb -0.12 -2.51 0.03 0.00 0.26 0.00 0.00 34.13 31.79 2ooi s GLU 138 CO 0.02 0.01 0.02 0.71 -0.54 0.00 0.00 175.26 175.48 2ooi s TYR 139 N 0.79 3.20 0.03 5.30 2.02 0.12 -1.30 117.35 127.50 2ooi s TYR 139 Ca -0.07 -1.54 0.07 0.00 -0.37 0.00 0.00 57.07 55.16 2ooi s TYR 139 Cb -0.16 -2.16 -0.02 0.00 -0.40 0.00 0.00 41.96 39.22 2ooi s TYR 139 CO -0.01 -0.73 -0.21 -1.12 -1.57 0.00 0.00 175.55 171.91 2ooi s SER 140 N 1.35 2.49 -0.07 2.29 0.01 -0.45 -0.45 113.70 118.86 2ooi s SER 140 Ca -0.02 -0.48 0.05 0.00 1.31 0.00 0.00 55.95 56.81 2ooi s SER 140 Cb -0.19 -0.23 -0.01 0.00 0.21 0.00 0.00 66.02 65.81 2ooi s SER 140 CO -0.00 0.19 -0.23 -0.31 0.41 0.00 0.00 173.24 173.30 2ooi s TYR 141 N -0.70 2.51 -0.06 2.43 1.51 0.30 -2.06 117.35 121.28 2ooi s TYR 141 Ca 0.08 -0.78 0.06 0.00 -1.01 0.00 0.00 57.07 55.42 2ooi s TYR 141 Cb -0.09 -1.65 -0.01 0.00 -0.11 0.00 0.00 41.96 40.10 2ooi s TYR 141 CO 0.01 -0.25 -0.25 0.71 -1.11 0.00 0.00 175.55 174.66 2ooi s TYR 142 N -0.02 2.45 -0.33 2.71 2.02 -0.52 -0.34 117.35 123.32 2ooi s TYR 142 Ca -0.08 -0.72 -0.29 0.00 -0.37 0.00 0.00 57.07 55.61 2ooi s TYR 142 Cb -0.15 -1.61 0.00 0.00 -0.40 0.00 0.00 41.96 39.81 2ooi s TYR 142 CO 0.05 -0.22 1.39 -1.58 -1.57 0.00 0.00 175.55 173.62 2ooi s HIS 143 N -0.15 2.50 0.23 2.71 5.65 0.62 -1.32 115.29 125.53 2ooi s HIS 143 Ca -0.04 0.76 -0.08 0.00 0.25 0.00 0.00 55.06 55.95 2ooi s HIS 143 Cb -0.14 -4.06 0.20 0.00 -1.18 0.00 0.00 32.58 27.40 2ooi s HIS 143 CO 0.04 -1.98 1.86 -0.22 -0.65 0.00 0.00 174.74 173.78 2ooi h LYS 144 N 10.01 1.20 -0.78 2.88 3.64 -1.64 -1.10 116.57 130.78 2ooi h LYS 144 Ca -0.28 -0.13 -0.00 0.00 -1.27 0.00 0.00 60.65 58.97 2ooi h LYS 144 Cb 1.11 -0.24 -0.04 0.00 -0.41 0.00 0.00 32.23 32.65 2ooi h LYS 144 CO 1.05 0.87 0.47 1.49 -2.27 0.00 0.00 179.45 181.06 2ooi h GLU 145 N 1.21 1.05 0.10 1.90 4.57 -1.90 0.66 114.58 122.17 2ooi h GLU 145 Ca 0.31 -0.09 -0.17 0.00 -1.18 0.00 0.00 59.36 58.23 2ooi h GLU 145 Cb 0.00 -0.22 0.01 0.00 -0.16 0.00 0.00 28.75 28.38 2ooi h GLU 145 CO -0.05 0.73 -0.81 0.82 -1.18 0.00 0.00 179.01 178.51 2ooi h ILE 146 N 1.07 1.42 0.00 2.32 2.04 -1.85 -3.34 117.51 119.17 2ooi h ILE 146 Ca 0.28 -2.45 -0.02 0.00 1.00 0.00 0.00 64.86 63.67 2ooi h ILE 146 Cb -0.05 3.07 -0.00 0.00 -0.74 0.00 0.00 36.82 39.09 2ooi h ILE 146 CO -0.05 0.67 -0.10 0.58 0.00 0.00 0.00 178.15 179.24 2ooi h VAL 147 N -0.53 0.22 0.00 1.67 2.07 -1.15 -3.47 116.25 115.06 2ooi h VAL 147 Ca -0.16 -0.95 0.00 0.00 0.82 0.00 0.00 66.70 66.40 2ooi h VAL 147 Cb 1.52 1.79 0.00 0.00 -1.52 0.00 0.00 31.29 33.08 2ooi h VAL 147 CO 0.08 0.10 0.00 0.29 0.02 0.00 0.00 177.57 178.06 2ooi n LYS 148 N -3.18 0.00 -3.63 1.57 5.02 0.23 -4.76 118.16 113.41 2ooi n LYS 148 Ca 0.02 0.00 -0.11 0.00 -2.02 0.00 0.00 58.31 56.20 2ooi n LYS 148 Cb 0.44 0.00 -0.07 0.00 -0.02 0.00 0.00 35.03 35.38 2ooi n LYS 148 CO 0.00 0.00 0.00 -0.47 -0.52 0.00 0.00 177.40 176.41 2ooi s TYR 149 N 0.00 -0.56 -0.16 2.13 5.04 -1.26 -4.87 117.35 117.67 2ooi s TYR 149 Ca 0.00 1.35 -0.16 0.00 -2.44 0.00 0.00 57.07 55.83 2ooi s TYR 149 Cb 0.00 0.34 0.04 0.00 0.35 0.00 0.00 41.96 42.69 2ooi s TYR 149 CO 0.00 -0.28 0.45 -1.17 -1.34 0.00 0.00 175.55 173.21 2ooi s LEU 150 N 0.22 0.29 0.38 6.97 2.96 -1.26 -5.08 118.68 123.16 2ooi s LEU 150 Ca 0.02 0.87 0.06 0.00 -0.22 0.00 0.00 54.13 54.86 2ooi s LEU 150 Cb -0.05 1.55 -0.02 0.00 0.50 0.00 0.00 46.19 48.17 2ooi s LEU 150 CO -0.04 -0.18 0.22 0.54 -1.32 0.00 0.00 176.35 175.58 2ooi s ASN 151 N 0.15 2.31 0.30 3.68 4.22 -1.26 -5.06 114.94 119.28 2ooi s ASN 151 Ca -0.01 -1.76 0.13 0.00 -2.14 0.00 0.00 52.86 49.08 2ooi s ASN 151 Cb -0.03 0.59 0.41 0.00 1.28 0.00 0.00 41.25 43.50 2ooi s ASN 151 CO 0.01 -1.04 1.62 -2.24 -2.04 0.00 0.00 177.10 173.41 2ooi h ASP 152 N 1.92 0.00 0.21 3.54 3.04 -1.97 -2.41 116.42 120.75 2ooi h ASP 152 Ca -0.29 0.00 -0.01 0.00 -3.24 0.00 0.00 57.03 53.49 2ooi h ASP 152 Cb 1.25 0.00 0.00 0.00 -1.04 0.00 0.00 39.33 39.54 2ooi h ASP 152 CO 0.44 0.55 -0.10 0.44 -2.04 0.00 0.00 179.24 178.53 2ooi h ASP 153 N 0.00 -0.24 -0.60 4.15 3.32 -2.01 -2.47 116.42 118.58 2ooi h ASP 153 Ca -0.01 -0.11 0.05 0.00 0.02 0.00 0.00 57.03 56.98 2ooi h ASP 153 Cb 1.09 0.06 -0.03 0.00 0.22 0.00 0.00 39.33 40.67 2ooi h ASP 153 CO 0.07 -0.03 0.39 0.40 -1.72 0.00 0.00 179.24 178.36 2ooi h ILE 154 N -0.44 1.03 0.00 0.35 2.04 -1.95 0.48 117.51 119.01 2ooi h ILE 154 Ca -0.03 -0.22 0.00 0.00 1.00 0.00 0.00 64.86 65.62 2ooi h ILE 154 Cb 0.34 0.35 0.00 0.00 -0.74 0.00 0.00 36.82 36.76 2ooi h ILE 154 CO 0.05 0.11 0.00 0.00 0.00 0.00 0.00 178.15 178.31 2ooi h ALA 155 N 1.67 1.00 -0.21 1.87 0.00 -1.09 -2.25 119.26 120.25 2ooi h ALA 155 Ca 0.25 0.00 -0.10 0.00 0.00 0.00 0.00 54.91 55.06 2ooi h ALA 155 Cb 0.20 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 17.97 2ooi h ALA 155 CO -0.07 0.00 -0.28 0.87 0.00 0.00 0.00 179.25 179.76 2ooi h LYS 156 N 0.00 0.40 0.00 0.00 1.57 -0.45 -3.46 116.57 114.64 2ooi h LYS 156 Ca 0.00 -0.16 0.00 0.00 -1.87 0.00 0.00 60.65 58.62 2ooi h LYS 156 Cb 0.09 -0.02 0.00 0.00 0.08 0.00 0.00 32.23 32.38 2ooi h LYS 156 CO 0.00 0.66 0.00 0.41 -0.57 0.00 0.00 179.45 179.95 2ooi n GLY 157 N -0.36 1.83 3.62 3.86 0.00 -0.85 -4.21 105.19 109.08 2ooi n GLY 157 Ca -0.01 -1.97 -0.43 0.00 0.00 0.00 0.00 46.02 43.62 2ooi n GLY 157 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2ooi s SER 158 N -1.00 6.56 0.25 1.61 0.15 -1.26 -4.89 113.70 115.12 2ooi s SER 158 Ca 0.00 1.01 0.02 0.00 0.70 0.00 0.00 55.95 57.68 2ooi s SER 158 Cb 0.00 -2.54 0.31 0.00 -1.71 0.00 0.00 66.02 62.08 2ooi s SER 158 CO 0.00 -1.21 1.63 0.40 1.20 0.00 0.00 173.24 175.26 2ooi h ILE 159 N 6.15 1.31 0.00 6.45 2.04 -1.90 -2.84 117.51 128.73 2ooi h ILE 159 Ca -0.26 -1.60 -0.11 0.00 1.00 0.00 0.00 64.86 63.88 2ooi h ILE 159 Cb 1.10 1.66 -0.02 0.00 -0.74 0.00 0.00 36.82 38.82 2ooi h ILE 159 CO 1.06 0.49 -0.53 -0.26 0.00 0.00 0.00 178.15 178.91 2ooi h PHE 160 N 0.33 0.00 -0.21 1.37 0.04 -1.97 -0.20 116.94 116.29 2ooi h PHE 160 Ca 0.03 0.00 -0.08 0.00 2.80 0.00 0.00 57.97 60.71 2ooi h PHE 160 Cb 0.90 0.00 -0.00 0.00 2.20 0.00 0.00 35.95 39.04 2ooi h PHE 160 CO 0.03 0.53 -0.20 -0.44 -0.60 0.00 0.00 178.31 177.63 2ooi h ASP 161 N 0.00 0.54 -0.25 2.17 3.32 -1.94 -1.69 116.42 118.57 2ooi h ASP 161 Ca -0.01 -0.47 0.05 0.00 0.02 0.00 0.00 57.03 56.62 2ooi h ASP 161 Cb 0.99 -0.15 -0.04 0.00 0.22 0.00 0.00 39.33 40.35 2ooi h ASP 161 CO 0.07 0.90 -0.02 0.22 -1.72 0.00 0.00 179.24 178.68 2ooi h TYR 162 N 0.19 -0.06 -0.58 4.55 5.03 -1.31 0.86 116.97 125.65 2ooi h TYR 162 Ca 0.04 0.02 0.06 0.00 2.58 0.00 0.00 58.73 61.42 2ooi h TYR 162 Cb 0.74 0.06 -0.05 0.00 1.55 0.00 0.00 36.73 39.03 2ooi h TYR 162 CO 0.08 -0.07 0.30 -0.07 -1.32 0.00 0.00 178.16 177.08 2ooi h LEU 163 N 0.05 0.42 0.12 2.82 3.38 -0.92 0.95 115.31 122.13 2ooi h LEU 163 Ca 0.12 0.03 -0.21 0.00 0.09 0.00 0.00 57.88 57.91 2ooi h LEU 163 Cb 0.17 -0.04 0.01 0.00 0.09 0.00 0.00 40.66 40.88 2ooi h LEU 163 CO -0.22 0.28 -1.02 -0.33 0.09 0.00 0.00 178.44 177.24 2ooi h GLU 164 N 0.56 0.25 -0.04 1.13 5.08 -0.98 0.12 114.58 120.70 2ooi h GLU 164 Ca 0.26 -0.42 -0.06 0.00 -1.00 0.00 0.00 59.36 58.14 2ooi h GLU 164 Cb 0.18 0.16 0.00 0.00 0.50 0.00 0.00 28.75 29.59 2ooi h GLU 164 CO -0.18 1.20 -0.20 0.77 -1.00 0.00 0.00 179.01 179.60 2ooi h SER 165 N -0.41 0.25 0.00 1.42 0.02 0.77 -2.96 113.55 112.64 2ooi h SER 165 Ca -0.21 -0.65 -0.05 0.00 -0.84 0.00 0.00 61.79 60.05 2ooi h SER 165 Cb 1.64 -0.07 -0.01 0.00 0.14 0.00 0.00 62.40 64.10 2ooi h SER 165 CO 0.09 0.86 -0.76 0.59 -1.14 0.00 0.00 176.83 176.48 2ooi n ASN 166 N -4.55 1.84 0.00 3.07 4.13 0.22 -4.32 115.26 115.64 2ooi n ASN 166 Ca -0.09 0.55 0.12 0.00 1.68 0.00 0.00 54.58 56.85 2ooi n ASN 166 Cb 0.44 -0.86 0.65 0.00 -1.54 0.00 0.00 39.78 38.47 2ooi n ASN 166 CO 0.00 0.00 0.00 0.23 0.28 0.00 0.00 177.26 177.77 2ooi n MET 167 N -4.56 0.48 -3.98 3.52 2.81 -0.53 -4.90 117.12 109.96 2ooi n MET 167 Ca -0.13 0.04 -0.32 0.00 -1.81 0.00 0.00 57.70 55.47 2ooi n MET 167 Cb 0.38 -1.50 -0.02 0.00 -0.71 0.00 0.00 33.22 31.37 2ooi n MET 167 CO 0.00 0.00 0.00 1.63 1.51 0.00 0.00 175.97 179.11 2ooi n LYS 168 N -1.20 -3.09 -2.68 0.03 4.01 -0.72 -4.89 118.16 109.61 2ooi n LYS 168 Ca 0.14 0.37 -0.42 0.00 -0.51 0.00 0.00 58.31 57.89 2ooi n LYS 168 Cb 0.16 -5.09 -0.03 0.00 -0.51 0.00 0.00 35.03 29.56 2ooi n LYS 168 CO 0.00 0.00 0.00 -1.17 -1.11 0.00 0.00 177.40 175.12 2ooi s LEU 169 N -7.01 4.42 -0.54 -0.35 2.96 0.35 -4.96 118.68 113.55 2ooi s LEU 169 Ca 0.65 1.75 -0.24 0.00 -0.22 0.00 0.00 54.13 56.07 2ooi s LEU 169 Cb -0.35 -3.58 0.04 0.00 0.50 0.00 0.00 46.19 42.80 2ooi s LEU 169 CO 0.80 -0.21 0.91 -0.13 -1.32 0.00 0.00 176.35 176.40 2ooi s ARG 170 N 0.63 3.33 -0.27 1.98 1.81 -1.26 -4.45 118.95 120.72 2ooi s ARG 170 Ca 0.51 -0.28 -0.18 0.00 -1.72 0.00 0.00 55.73 54.06 2ooi s ARG 170 Cb -0.23 -4.04 -0.02 0.00 -0.45 0.00 0.00 34.95 30.20 2ooi s ARG 170 CO 0.29 -1.43 0.51 0.42 -0.68 0.00 0.00 175.30 174.41 2ooi s ILE 171 N 3.80 5.07 -0.12 1.52 1.01 -1.26 -0.57 121.20 130.64 2ooi s ILE 171 Ca 0.30 0.80 -0.06 0.00 0.00 0.00 0.00 60.65 61.68 2ooi s ILE 171 Cb -0.13 -3.84 -0.02 0.00 0.01 0.00 0.00 42.46 38.48 2ooi s ILE 171 CO 0.19 0.05 -0.12 1.23 0.00 0.00 0.00 174.94 176.29 2ooi h GLY 172 N 8.82 0.00 -1.62 6.18 0.00 -1.10 -3.42 103.07 111.92 2ooi h GLY 172 Ca -0.29 0.00 0.08 0.00 0.00 0.00 0.00 47.33 47.12 2ooi h GLY 172 CO 0.72 0.00 0.38 -0.11 0.00 0.00 0.00 176.54 177.53 2ooi s PHE 173 N -1.97 -0.00 0.08 5.60 -0.12 -1.14 -4.92 117.98 115.51 2ooi s PHE 173 Ca -0.10 -0.50 -0.13 0.00 -0.05 0.00 0.00 56.93 56.15 2ooi s PHE 173 Cb 0.01 0.74 0.02 0.00 -0.63 0.00 0.00 43.02 43.17 2ooi s PHE 173 CO 0.14 -1.21 0.31 -1.54 -0.05 0.00 0.00 175.22 172.88 2ooi s SER 174 N -3.10 -0.11 -0.18 1.98 1.04 -1.26 -1.01 113.70 111.07 2ooi s SER 174 Ca 0.16 -0.33 -0.04 0.00 0.48 0.00 0.00 55.95 56.21 2ooi s SER 174 Cb -0.04 0.39 -0.03 0.00 0.10 0.00 0.00 66.02 66.45 2ooi s SER 174 CO 0.07 -0.72 -0.02 -1.81 0.98 0.00 0.00 173.24 171.74 2ooi s ASP 175 N -2.49 4.83 -0.08 7.02 1.01 -0.60 -4.96 116.67 121.40 2ooi s ASP 175 Ca 0.00 -0.16 0.04 0.00 0.71 0.00 0.00 52.55 53.14 2ooi s ASP 175 Cb 0.01 -1.81 -0.01 0.00 1.01 0.00 0.00 42.92 42.13 2ooi s ASP 175 CO -0.08 0.12 -0.20 -0.63 0.21 0.00 0.00 175.17 174.59 2ooi s ILE 176 N 0.67 2.52 -0.06 0.77 1.01 -1.26 -1.35 121.20 123.50 2ooi s ILE 176 Ca -0.01 -0.88 0.03 0.00 0.00 0.00 0.00 60.65 59.78 2ooi s ILE 176 Cb -0.14 -1.98 0.01 0.00 0.01 0.00 0.00 42.46 40.35 2ooi s ILE 176 CO 0.02 0.56 -0.14 -0.36 0.00 0.00 0.00 174.94 175.02 2ooi s PHE 177 N -0.07 1.58 -0.01 3.97 0.08 -0.11 -4.98 117.98 118.43 2ooi s PHE 177 Ca -0.05 -0.53 -0.04 0.00 0.12 0.00 0.00 56.93 56.43 2ooi s PHE 177 Cb -0.14 -1.11 -0.00 0.00 -0.57 0.00 0.00 43.02 41.20 2ooi s PHE 177 CO 0.04 -0.24 0.08 -0.59 -0.10 0.00 0.00 175.22 174.42 2ooi s PHE 178 N 0.40 0.04 0.20 0.36 -0.12 -1.26 -0.27 117.98 117.33 2ooi s PHE 178 Ca -0.11 -0.08 -0.06 0.00 -0.05 0.00 0.00 56.93 56.64 2ooi s PHE 178 Cb -0.14 -0.05 -0.02 0.00 -0.63 0.00 0.00 43.02 42.18 2ooi s PHE 178 CO 0.03 -0.17 0.24 0.54 -0.05 0.00 0.00 175.22 175.81 2ooi s ASN 179 N -0.85 0.08 -0.05 1.98 2.20 -0.58 -5.02 114.94 112.70 2ooi s ASN 179 Ca -0.09 -1.15 -0.03 0.00 -0.94 0.00 0.00 52.86 50.64 2ooi s ASN 179 Cb -0.06 0.44 -0.04 0.00 -2.00 0.00 0.00 41.25 39.59 2ooi s ASN 179 CO 0.00 -0.92 0.12 -0.69 -2.94 0.00 0.00 177.10 172.67 2ooi s VAL 180 N -4.08 5.09 0.37 3.54 1.01 -1.26 -1.30 120.40 123.77 2ooi s VAL 180 Ca 0.29 -0.15 -0.07 0.00 0.00 0.00 0.00 61.98 62.05 2ooi s VAL 180 Cb 0.04 -3.29 0.03 0.00 0.00 0.00 0.00 36.38 33.16 2ooi s VAL 180 CO 0.08 0.45 0.61 -0.62 0.00 0.00 0.00 175.10 175.62 2ooi s ASP 181 N -1.49 0.59 0.33 3.32 -1.08 -1.00 -4.93 116.67 112.41 2ooi s ASP 181 Ca 0.21 -1.37 -0.05 0.00 -0.52 0.00 0.00 52.55 50.82 2ooi s ASP 181 Cb -0.12 0.75 -0.05 0.00 -1.46 0.00 0.00 42.92 42.04 2ooi s ASP 181 CO 0.11 -1.47 0.60 -0.54 0.52 0.00 0.00 175.17 174.39 2ooi s LYS 182 N -2.69 3.61 0.28 4.34 1.02 -1.26 -0.83 119.74 124.21 2ooi s LYS 182 Ca 0.25 0.02 -0.17 0.00 0.02 0.00 0.00 55.97 56.08 2ooi s LYS 182 Cb -0.02 -2.59 -0.09 0.00 -0.52 0.00 0.00 37.83 34.61 2ooi s LYS 182 CO 0.17 0.13 0.73 -0.51 -0.92 0.00 0.00 175.35 174.95 2ooi s LEU 183 N -3.84 4.19 0.65 3.17 1.43 -0.48 -4.79 118.68 119.00 2ooi s LEU 183 Ca 0.44 1.35 -0.10 0.00 -1.03 0.00 0.00 54.13 54.79 2ooi s LEU 183 Cb -0.10 -3.86 -0.01 0.00 0.03 0.00 0.00 46.19 42.25 2ooi s LEU 183 CO 0.33 -0.10 1.03 0.42 0.23 0.00 0.00 176.35 178.26 2ooi s THR 184 N -1.78 4.04 0.34 5.49 -4.23 -1.26 -1.48 115.64 116.76 2ooi s THR 184 Ca 0.49 0.54 0.03 0.00 -1.18 0.00 0.00 61.69 61.57 2ooi s THR 184 Cb -0.13 -3.64 0.22 0.00 1.34 0.00 0.00 72.50 70.29 2ooi s THR 184 CO 0.19 -0.81 1.95 0.77 -0.54 0.00 0.00 174.62 176.18 2ooi h SER 185 N -0.42 0.64 0.48 3.99 4.64 -1.94 0.08 113.55 121.03 2ooi h SER 185 Ca -0.45 -0.06 -0.23 0.00 -0.47 0.00 0.00 61.79 60.58 2ooi h SER 185 Cb 1.23 -0.16 -0.00 0.00 -0.31 0.00 0.00 62.40 63.15 2ooi h SER 185 CO 0.63 0.56 -1.01 0.77 -0.87 0.00 0.00 176.83 176.90 2ooi h SER 186 N 0.72 0.43 -0.76 4.97 4.64 -2.00 -2.36 113.55 119.19 2ooi h SER 186 Ca 0.18 -0.38 -0.05 0.00 -0.47 0.00 0.00 61.79 61.07 2ooi h SER 186 Cb 0.09 -0.14 -0.03 0.00 -0.31 0.00 0.00 62.40 62.01 2ooi h SER 186 CO -0.02 1.21 0.28 -0.33 -0.87 0.00 0.00 176.83 177.09 2ooi h GLU 187 N 0.16 1.16 -0.54 4.77 5.08 -1.90 -2.81 114.58 120.49 2ooi h GLU 187 Ca -0.09 -0.22 -0.06 0.00 -1.00 0.00 0.00 59.36 57.99 2ooi h GLU 187 Cb 1.68 -0.18 -0.02 0.00 0.50 0.00 0.00 28.75 30.72 2ooi h GLU 187 CO 0.17 0.95 0.11 0.00 -1.00 0.00 0.00 179.01 179.24 2ooi h ALA 188 N 1.18 1.18 -0.09 3.43 0.00 -0.80 -1.64 119.26 122.52 2ooi h ALA 188 Ca 0.25 -0.22 -0.01 0.00 0.00 0.00 0.00 54.91 54.94 2ooi h ALA 188 Cb 0.25 -0.22 -0.00 0.00 0.00 0.00 0.00 17.79 17.82 2ooi h ALA 188 CO -0.02 0.55 0.02 0.77 0.00 0.00 0.00 179.25 180.58 2ooi h SER 189 N 0.80 0.14 0.01 0.00 0.02 -1.40 0.72 113.55 113.84 2ooi h SER 189 Ca 0.17 -0.24 -0.01 0.00 -0.84 0.00 0.00 61.79 60.86 2ooi h SER 189 Cb 0.32 -0.04 -0.00 0.00 0.14 0.00 0.00 62.40 62.82 2ooi h SER 189 CO 0.00 0.35 -0.03 -0.07 -1.14 0.00 0.00 176.83 175.94 2ooi h LEU 190 N -0.08 0.07 -2.35 5.07 3.38 -1.21 -2.30 115.31 117.90 2ooi h LEU 190 Ca 0.03 -0.01 0.00 0.00 0.09 0.00 0.00 57.88 57.99 2ooi h LEU 190 Cb 0.26 -0.02 0.00 0.00 0.09 0.00 0.00 40.66 41.00 2ooi h LEU 190 CO 0.00 0.12 0.00 0.18 0.09 0.00 0.00 178.44 178.83 2ooi n LEU 191 N -4.45 3.46 -3.62 1.67 4.77 -0.65 -4.97 117.00 113.21 2ooi n LEU 191 Ca -0.02 -1.52 -0.21 0.00 -0.03 0.00 0.00 56.01 54.23 2ooi n LEU 191 Cb 0.14 -0.25 0.04 0.00 -2.33 0.00 0.00 43.42 41.03 2ooi n LEU 191 CO 0.35 0.75 -0.04 0.00 -1.33 0.00 0.00 177.39 177.12 2ooi n GLN 192 N 1.47 -4.32 -3.45 3.23 6.02 -0.06 -4.97 117.38 115.30 2ooi n GLN 192 Ca 0.19 0.65 -0.14 0.00 -0.01 0.00 0.00 57.00 57.69 2ooi n GLN 192 Cb 0.60 -5.18 -0.05 0.00 1.02 0.00 0.00 30.24 26.63 2ooi n GLN 192 CO 0.00 0.00 0.00 1.28 -1.01 0.00 0.00 177.06 177.33 2ooi n LEU 193 N -4.13 0.00 -4.84 1.08 4.77 0.05 -5.04 117.00 108.89 2ooi n LEU 193 Ca -0.25 -1.98 -0.34 0.00 -0.03 0.00 0.00 56.01 53.41 2ooi n LEU 193 Cb 0.66 0.88 -0.06 0.00 -2.33 0.00 0.00 43.42 42.57 2ooi n LEU 193 CO 0.66 -0.32 -0.21 -0.44 -1.33 0.00 0.00 177.39 175.76 2ooi s SER 194 N -2.51 6.04 -0.13 -1.43 0.01 -1.26 -4.27 113.70 110.15 2ooi s SER 194 Ca 0.20 0.30 -0.42 0.00 1.31 0.00 0.00 55.95 57.34 2ooi s SER 194 Cb 0.01 -1.85 -0.20 0.00 0.21 0.00 0.00 66.02 64.19 2ooi s SER 194 CO 0.14 0.32 1.23 0.41 0.41 0.00 0.00 173.24 175.75 2ooi n THR 195 N 1.43 0.00 0.00 1.44 -1.04 -1.26 -1.28 114.28 113.57 2ooi n THR 195 Ca -0.15 -0.00 0.00 0.00 -2.04 0.00 0.00 64.05 61.86 2ooi n THR 195 Cb 0.53 -0.17 0.00 0.00 -1.82 0.00 0.00 70.33 68.87 2ooi n THR 195 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 2ooi n GLY 196 N 2.23 2.09 3.76 3.41 0.00 -0.55 -4.94 105.19 111.20 2ooi n GLY 196 Ca 0.23 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.91 2ooi n GLY 196 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2ooi s GLU 197 N -0.59 2.73 0.73 1.61 2.02 -0.40 -4.17 118.70 120.62 2ooi s GLU 197 Ca 0.00 1.50 -0.14 0.00 0.02 0.00 0.00 54.97 56.35 2ooi s GLU 197 Cb 0.00 -1.93 0.04 0.00 0.10 0.00 0.00 34.13 32.34 2ooi s GLU 197 CO 0.00 -1.33 1.17 -2.14 0.02 0.00 0.00 175.26 172.99 2ooi s PRO 198 N -3.94 2.20 0.27 0.39 0.02 -1.26 -1.38 135.00 131.30 2ooi s PRO 198 Ca 0.69 1.63 -0.07 0.00 0.02 0.00 0.00 61.00 63.28 2ooi s PRO 198 Cb -0.23 -1.85 -0.01 0.00 0.02 0.00 0.00 34.50 32.43 2ooi s PRO 198 CO 0.40 -1.76 0.41 0.00 -0.33 0.00 0.00 177.00 175.72 2ooi s LEU 200 N -3.12 3.26 -0.30 0.00 2.96 -1.23 -2.37 118.68 117.87 2ooi s LEU 200 Ca 0.29 -0.20 -0.12 0.00 -0.22 0.00 0.00 54.13 53.88 2ooi s LEU 200 Cb 0.01 -1.82 -0.04 0.00 0.50 0.00 0.00 46.19 44.84 2ooi s LEU 200 CO 0.14 0.07 0.22 -0.13 -1.32 0.00 0.00 176.35 175.32 2ooi s ARG 201 N 0.99 3.78 -0.05 1.98 0.52 -0.42 -1.01 118.95 124.73 2ooi s ARG 201 Ca 0.02 -0.42 0.04 0.00 -0.52 0.00 0.00 55.73 54.85 2ooi s ARG 201 Cb -0.14 -3.72 -0.00 0.00 0.52 0.00 0.00 34.95 31.61 2ooi s ARG 201 CO 0.02 -0.29 -0.17 -0.47 0.02 0.00 0.00 175.30 174.41 2ooi s TYR 202 N 1.77 1.77 -0.04 -0.53 5.04 -0.23 -1.53 117.35 123.60 2ooi s TYR 202 Ca 0.07 -0.56 0.05 0.00 -2.44 0.00 0.00 57.07 54.19 2ooi s TYR 202 Cb -0.16 -1.21 -0.01 0.00 0.35 0.00 0.00 41.96 40.93 2ooi s TYR 202 CO 0.11 -0.21 -0.18 -1.58 -1.34 0.00 0.00 175.55 172.35 2ooi s HIS 203 N 0.18 1.71 -0.03 4.97 5.65 0.63 -0.18 115.29 128.22 2ooi s HIS 203 Ca -0.07 -0.45 0.01 0.00 0.25 0.00 0.00 55.06 54.80 2ooi s HIS 203 Cb -0.13 -1.14 0.02 0.00 -1.18 0.00 0.00 32.58 30.15 2ooi s HIS 203 CO 0.03 -0.14 -0.05 -1.14 -0.65 0.00 0.00 174.74 172.80 2ooi s GLN 204 N -0.07 0.75 -0.17 2.88 0.74 0.65 -0.94 119.66 123.50 2ooi s GLN 204 Ca -0.01 -0.14 -0.01 0.00 0.05 0.00 0.00 55.36 55.25 2ooi s GLN 204 Cb -0.11 -0.75 -0.00 0.00 1.10 0.00 0.00 33.01 33.25 2ooi s GLN 204 CO 0.02 -0.02 -0.13 0.99 -0.55 0.00 0.00 175.29 175.59 2ooi s THR 205 N 0.64 2.80 -0.11 -0.34 2.01 -0.46 -1.16 115.64 119.03 2ooi s THR 205 Ca -0.08 -0.71 -0.05 0.00 0.31 0.00 0.00 61.69 61.16 2ooi s THR 205 Cb -0.12 -2.21 -0.04 0.00 0.01 0.00 0.00 72.50 70.15 2ooi s THR 205 CO 0.00 0.50 0.08 -0.36 -0.69 0.00 0.00 174.62 174.15 2ooi s PHE 206 N 0.97 3.40 0.10 4.92 0.08 -0.58 -1.55 117.98 125.32 2ooi s PHE 206 Ca -0.02 0.37 0.10 0.00 0.12 0.00 0.00 56.93 57.50 2ooi s PHE 206 Cb -0.15 -1.88 -0.04 0.00 -0.57 0.00 0.00 43.02 40.39 2ooi s PHE 206 CO -0.02 0.61 -0.26 0.71 -0.10 0.00 0.00 175.22 176.17 2ooi s TYR 207 N -0.94 2.20 1.04 0.36 2.02 -0.18 -0.39 117.35 121.47 2ooi s TYR 207 Ca 0.14 -0.39 -0.13 0.00 -0.37 0.00 0.00 57.07 56.32 2ooi s TYR 207 Cb -0.12 -1.23 0.21 0.00 -0.40 0.00 0.00 41.96 40.42 2ooi s TYR 207 CO 0.03 0.25 1.09 0.95 -1.57 0.00 0.00 175.55 176.31 2ooi s THR 208 N -1.00 1.96 -1.00 -0.71 -4.23 0.22 -0.86 115.64 110.02 2ooi s THR 208 Ca 0.12 0.00 0.12 0.00 -1.18 0.00 0.00 61.69 60.75 2ooi s THR 208 Cb -0.10 -2.47 0.10 0.00 1.34 0.00 0.00 72.50 71.37 2ooi s THR 208 CO 0.05 0.00 1.38 0.80 -0.54 0.00 0.00 174.62 176.30 2ooi n MET 209 N -4.31 0.00 -0.75 3.99 1.56 0.26 -0.89 117.12 116.98 2ooi n MET 209 Ca 0.06 0.30 0.08 0.00 -0.27 0.00 0.00 57.70 57.87 2ooi n MET 209 Cb 0.58 -1.50 0.38 0.00 2.15 0.00 0.00 33.22 34.82 2ooi n MET 209 CO 0.00 0.00 0.00 0.25 -0.73 0.00 0.00 175.97 175.49 2ooi n THR 210 N -1.50 2.34 -1.08 1.12 -2.24 -1.26 -4.89 114.28 106.76 2ooi n THR 210 Ca 0.03 -1.34 -0.03 0.00 -2.27 0.00 0.00 64.05 60.44 2ooi n THR 210 Cb 0.14 -0.09 -0.01 0.00 -2.10 0.00 0.00 70.33 68.26 2ooi n THR 210 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2ooi n GLY 211 N 0.79 0.59 3.64 3.38 0.00 -0.07 -5.02 105.19 108.51 2ooi n GLY 211 Ca 0.27 -0.68 -0.40 0.00 0.00 0.00 0.00 46.02 45.21 2ooi n GLY 211 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2ooi s LYS 212 N -1.80 4.16 -0.04 1.61 1.02 -1.25 -4.79 119.74 118.65 2ooi s LYS 212 Ca 0.00 0.57 -0.30 0.00 0.02 0.00 0.00 55.97 56.26 2ooi s LYS 212 Cb 0.00 -3.61 -0.03 0.00 -0.52 0.00 0.00 37.83 33.67 2ooi s LYS 212 CO 0.00 -0.32 1.02 -1.25 -0.92 0.00 0.00 175.35 173.88 2ooi s PRO 213 N 2.20 4.48 0.00 -1.68 0.04 -1.26 0.70 135.00 139.49 2ooi s PRO 213 Ca 0.27 1.46 0.00 0.00 0.04 0.00 0.00 61.00 62.77 2ooi s PRO 213 Cb -0.16 -3.49 0.00 0.00 0.04 0.00 0.00 34.50 30.90 2ooi s PRO 213 CO 0.09 -0.19 0.00 1.97 0.04 0.00 0.00 177.00 178.91 2ooi n PHE 214 N 4.41 0.00 -3.68 0.56 1.16 0.48 -4.84 117.46 115.55 2ooi n PHE 214 Ca 0.08 0.00 -0.16 0.00 -1.87 0.00 0.00 57.45 55.49 2ooi n PHE 214 Cb 0.49 0.00 -0.16 0.00 -1.61 0.00 0.00 39.48 38.21 2ooi n PHE 214 CO 0.00 0.00 0.00 0.34 -1.87 0.00 0.00 176.76 175.23 2ooi s ASP 215 N -0.91 0.65 -0.31 5.98 2.15 -1.23 -0.27 116.67 122.73 2ooi s ASP 215 Ca 0.00 0.32 -0.06 0.00 0.43 0.00 0.00 52.55 53.25 2ooi s ASP 215 Cb 0.00 0.26 0.02 0.00 -0.30 0.00 0.00 42.92 42.90 2ooi s ASP 215 CO 0.00 -0.23 0.07 -0.55 -0.17 0.00 0.00 175.17 174.29 2ooi s SER 216 N 2.15 5.10 -0.08 -0.34 0.15 0.53 -1.53 113.70 119.68 2ooi s SER 216 Ca 0.02 -0.92 0.03 0.00 0.70 0.00 0.00 55.95 55.78 2ooi s SER 216 Cb -0.12 -1.84 0.00 0.00 -1.71 0.00 0.00 66.02 62.35 2ooi s SER 216 CO -0.06 -0.24 -0.19 -0.44 1.20 0.00 0.00 173.24 173.51 2ooi s SER 217 N 1.43 2.55 -0.14 5.45 0.01 -0.31 -0.54 113.70 122.16 2ooi s SER 217 Ca 0.00 -0.45 -0.02 0.00 1.31 0.00 0.00 55.95 56.79 2ooi s SER 217 Cb -0.18 -1.14 -0.02 0.00 0.21 0.00 0.00 66.02 64.89 2ooi s SER 217 CO 0.02 0.11 -0.07 -1.81 0.41 0.00 0.00 173.24 171.90 2ooi s ASP 218 N 0.43 4.53 -0.06 2.44 1.01 0.40 -0.26 116.67 125.17 2ooi s ASP 218 Ca -0.16 -0.18 0.05 0.00 0.71 0.00 0.00 52.55 52.97 2ooi s ASP 218 Cb -0.17 -1.66 -0.01 0.00 1.01 0.00 0.00 42.92 42.10 2ooi s ASP 218 CO 0.07 0.19 -0.22 -0.63 0.21 0.00 0.00 175.17 174.78 2ooi s ILE 219 N 0.23 1.86 -0.24 0.77 1.01 0.75 0.13 121.20 125.71 2ooi s ILE 219 Ca -0.05 -0.94 -0.04 0.00 0.00 0.00 0.00 60.65 59.62 2ooi s ILE 219 Cb -0.14 -1.59 0.00 0.00 0.01 0.00 0.00 42.46 40.74 2ooi s ILE 219 CO 0.04 0.52 -0.03 -0.69 0.00 0.00 0.00 174.94 174.78 2ooi s VAL 220 N 0.04 3.32 0.12 2.92 1.01 0.01 -1.06 120.40 126.75 2ooi s VAL 220 Ca -0.08 -0.66 -0.17 0.00 0.00 0.00 0.00 61.98 61.08 2ooi s VAL 220 Cb -0.14 -2.58 -0.07 0.00 0.00 0.00 0.00 36.38 33.59 2ooi s VAL 220 CO 0.04 0.32 0.58 -0.36 0.00 0.00 0.00 175.10 175.68 2ooi s PHE 221 N 1.44 3.70 0.02 5.22 0.40 -0.18 -1.22 117.98 127.36 2ooi s PHE 221 Ca 0.04 1.19 -0.30 0.00 -0.60 0.00 0.00 56.93 57.26 2ooi s PHE 221 Cb -0.15 -2.45 -0.07 0.00 0.51 0.00 0.00 43.02 40.85 2ooi s PHE 221 CO -0.03 0.49 1.65 -1.58 0.70 0.00 0.00 175.22 176.45 2ooi s HIS 222 N -1.31 2.23 0.18 0.36 5.65 0.68 -3.50 115.29 119.57 2ooi s HIS 222 Ca 0.34 0.27 0.20 0.00 0.25 0.00 0.00 55.06 56.12 2ooi s HIS 222 Cb -0.17 -3.94 0.76 0.00 -1.18 0.00 0.00 32.58 28.05 2ooi s HIS 222 CO 0.19 -3.84 1.77 0.10 -0.65 0.00 0.00 174.74 172.31 2ooi h TYR 223 N 8.85 0.00 0.21 3.88 -0.00 -1.89 -2.48 116.97 125.53 2ooi h TYR 223 Ca -0.41 0.00 -0.35 0.00 0.00 0.00 0.00 58.73 57.97 2ooi h TYR 223 Cb 1.19 0.00 0.02 0.00 0.00 0.00 0.00 36.73 37.94 2ooi h TYR 223 CO 0.83 0.33 -1.70 0.00 -0.00 0.00 0.00 178.16 177.62 2ooi h ARG 224 N 0.00 0.43 0.00 0.10 3.08 -1.91 -3.38 114.38 112.70 2ooi h ARG 224 Ca -0.00 -0.74 0.00 0.00 0.07 0.00 0.00 59.98 59.31 2ooi h ARG 224 Cb 0.84 0.28 0.00 0.00 0.08 0.00 0.00 29.97 31.16 2ooi h ARG 224 CO 0.04 1.35 -0.26 0.45 -1.07 0.00 0.00 179.97 180.48 2ooi h HIS 225 N 0.12 0.00 -3.59 3.04 3.86 -1.85 -3.43 115.15 113.29 2ooi h HIS 225 Ca -0.33 0.00 -0.64 0.00 -1.16 0.00 0.00 60.37 58.24 2ooi h HIS 225 Cb 2.12 0.00 -0.21 0.00 1.06 0.00 0.00 27.41 30.38 2ooi h HIS 225 CO 0.11 0.00 -0.61 0.00 0.86 0.00 0.00 177.93 178.28 2ooi s ALA 226 N -3.17 3.20 -0.04 2.45 0.00 -0.94 -5.01 121.76 118.25 2ooi s ALA 226 Ca 0.08 -1.06 -0.01 0.00 0.00 0.00 0.00 51.96 50.97 2ooi s ALA 226 Cb 0.11 -2.04 0.03 0.00 0.00 0.00 0.00 23.12 21.21 2ooi s ALA 226 CO 0.66 -0.36 0.03 -0.65 0.00 0.00 0.00 175.76 175.45 2ooi s GLN 227 N 1.38 0.17 0.34 0.00 -1.52 -1.26 -4.88 119.66 113.88 2ooi s GLN 227 Ca 0.05 0.23 0.08 0.00 -1.95 0.00 0.00 55.36 53.78 2ooi s GLN 227 Cb -0.15 -0.59 -0.04 0.00 -0.22 0.00 0.00 33.01 32.02 2ooi s GLN 227 CO 0.04 -0.27 0.21 -0.06 -0.25 0.00 0.00 175.29 174.95 2ooi s PHE 228 N 1.78 2.80 -0.11 0.91 0.40 -1.26 -0.60 117.98 121.91 2ooi s PHE 228 Ca 0.01 -0.34 -0.08 0.00 -0.60 0.00 0.00 56.93 55.92 2ooi s PHE 228 Cb -0.12 -1.70 0.04 0.00 0.51 0.00 0.00 43.02 41.74 2ooi s PHE 228 CO -0.03 0.28 0.27 -0.47 0.70 0.00 0.00 175.22 175.96 2ooi s TYR 229 N -2.37 -0.33 -0.08 0.36 5.04 -0.50 -4.77 117.35 114.70 2ooi s TYR 229 Ca 0.39 0.78 0.02 0.00 -2.44 0.00 0.00 57.07 55.82 2ooi s TYR 229 Cb -0.04 0.09 0.01 0.00 0.35 0.00 0.00 41.96 42.37 2ooi s TYR 229 CO 0.24 -0.19 -0.14 0.42 -1.34 0.00 0.00 175.55 174.54 2ooi s ILE 230 N 0.65 1.31 -0.85 3.14 1.01 -1.26 -3.11 121.20 122.09 2ooi s ILE 230 Ca -0.04 -0.56 -0.17 0.00 0.00 0.00 0.00 60.65 59.87 2ooi s ILE 230 Cb -0.06 -1.19 0.16 0.00 0.01 0.00 0.00 42.46 41.38 2ooi s ILE 230 CO -0.04 0.40 0.95 -2.16 0.00 0.00 0.00 174.94 174.09 2ooi s PRO 231 N 0.75 3.53 0.34 2.79 0.04 -1.26 -5.04 135.00 136.14 2ooi s PRO 231 Ca -0.12 -1.93 -0.10 0.00 0.04 0.00 0.00 61.00 58.88 2ooi s PRO 231 Cb -0.16 -4.66 -0.07 0.00 0.04 0.00 0.00 34.50 29.65 2ooi s PRO 231 CO 0.03 -1.58 0.69 0.45 0.04 0.00 0.00 177.00 176.62 2ooi s SER 232 N 3.13 6.58 0.00 6.66 0.15 -1.26 -5.08 113.70 123.89 2ooi s SER 232 Ca 0.25 1.06 0.00 0.00 0.70 0.00 0.00 55.95 57.96 2ooi s SER 232 Cb -0.09 -2.29 0.00 0.00 -1.71 0.00 0.00 66.02 61.93 2ooi s SER 232 CO -0.07 -0.26 0.00 0.29 1.20 0.00 0.00 173.24 174.40