#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 0.54 0.01 1.20 3.52 -1.26 -4.79 118.95 118.16 2ooi s ARG 74 Ca 0.00 0.75 -0.29 0.00 -0.13 0.00 0.00 55.73 56.07 2ooi s ARG 74 Cb 0.00 0.20 -0.04 0.00 -1.56 0.00 0.00 34.95 33.55 2ooi s ARG 74 CO 0.00 -0.10 0.91 0.42 -0.81 0.00 0.00 175.30 175.73 2ooi s ILE 75 N 0.63 4.84 -0.25 4.11 1.01 0.27 -4.84 121.20 126.98 2ooi s ILE 75 Ca -0.03 1.93 -0.10 0.00 0.00 0.00 0.00 60.65 62.45 2ooi s ILE 75 Cb -0.05 -4.26 -0.05 0.00 0.01 0.00 0.00 42.46 38.12 2ooi s ILE 75 CO -0.04 0.21 0.14 0.21 0.00 0.00 0.00 174.94 175.46 2ooi s ASN 76 N 0.77 5.89 0.06 3.58 2.47 -1.26 -0.77 114.94 125.69 2ooi s ASN 76 Ca 0.48 0.03 0.18 0.00 0.42 0.00 0.00 52.86 53.97 2ooi s ASN 76 Cb -0.21 -2.07 -0.13 0.00 -1.45 0.00 0.00 41.25 37.39 2ooi s ASN 76 CO 0.26 0.03 0.79 0.52 -3.72 0.00 0.00 177.10 174.98 2ooi n VAL 77 N 4.52 1.02 0.01 -5.21 0.31 -1.17 -4.62 118.33 113.18 2ooi n VAL 77 Ca -0.15 -0.66 -0.01 0.00 -0.01 0.00 0.00 64.34 63.51 2ooi n VAL 77 Cb 0.52 -0.60 -0.00 0.00 -0.91 0.00 0.00 33.84 32.84 2ooi n VAL 77 CO 0.00 0.00 0.00 0.15 -1.32 0.00 0.00 176.83 175.66 2ooi h PHE 78 N 0.00 -0.07 -0.02 3.52 3.57 -1.95 -3.39 116.94 118.61 2ooi h PHE 78 Ca -0.15 0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.35 2ooi h PHE 78 Cb 1.48 0.03 0.00 0.00 2.79 0.00 0.00 35.95 40.25 2ooi h PHE 78 CO 0.00 -0.03 0.00 1.17 -2.23 0.00 0.00 178.31 177.22 2ooi n LYS 79 N -2.55 0.00 -2.80 1.11 3.00 -1.26 -4.88 118.16 110.77 2ooi n LYS 79 Ca -0.00 0.00 -0.43 0.00 -0.00 0.00 0.00 58.31 57.87 2ooi n LYS 79 Cb 0.02 0.00 -0.01 0.00 0.00 0.00 0.00 35.03 35.04 2ooi n LYS 79 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.40 178.39 2ooi s THR 80 N 0.00 4.63 0.28 3.15 2.01 -1.26 -5.02 115.64 119.43 2ooi s THR 80 Ca 0.00 -2.13 0.02 0.00 0.31 0.00 0.00 61.69 59.89 2ooi s THR 80 Cb 0.00 -4.99 -0.01 0.00 0.01 0.00 0.00 72.50 67.51 2ooi s THR 80 CO 0.00 -1.75 0.06 0.59 -0.69 0.00 0.00 174.62 172.83 2ooi n ASN 81 N 6.86 1.73 -4.84 3.53 3.02 -1.26 -5.06 115.26 119.23 2ooi n ASN 81 Ca 0.38 -2.40 -0.31 0.00 -0.03 0.00 0.00 54.58 52.22 2ooi n ASN 81 Cb 0.45 0.52 0.05 0.00 -0.61 0.00 0.00 39.78 40.18 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 -2.67 1.65 0.32 7.41 0.00 -1.26 -4.97 107.32 107.80 2ooi s GLY 82 Ca 0.09 -0.08 0.02 0.00 0.00 0.00 0.00 44.72 44.75 2ooi s GLY 82 CO 0.06 0.25 1.87 0.74 0.00 0.00 0.00 173.10 176.02 2ooi h PHE 83 N -0.67 0.66 -1.88 1.90 0.04 -2.00 -1.56 116.94 113.42 2ooi h PHE 83 Ca -0.45 -0.06 0.56 0.00 2.80 0.00 0.00 57.97 60.82 2ooi h PHE 83 Cb 1.22 -0.19 -0.09 0.00 2.20 0.00 0.00 35.95 39.09 2ooi h PHE 83 CO 0.58 0.59 1.34 -1.13 -0.60 0.00 0.00 178.31 179.10 2ooi n SER 84 N -4.29 0.03 -2.57 2.17 3.41 -1.26 -1.02 113.62 110.09 2ooi n SER 84 Ca 0.03 1.03 -0.35 0.00 -0.26 0.00 0.00 58.87 59.32 2ooi n SER 84 Cb 0.23 -0.52 0.04 0.00 -0.26 0.00 0.00 64.21 63.70 2ooi n SER 84 CO 0.00 0.00 0.00 0.29 -0.16 0.00 0.00 175.04 175.17 2ooi n LYS 85 N -4.00 2.94 -0.09 4.33 4.76 -0.59 -4.96 118.16 120.55 2ooi n LYS 85 Ca 0.44 -3.68 -0.14 0.00 -2.87 0.00 0.00 58.31 52.05 2ooi n LYS 85 Cb 1.94 -2.27 -0.08 0.00 -1.84 0.00 0.00 35.03 32.78 2ooi n LYS 85 CO 0.00 0.00 0.00 0.45 -1.37 0.00 0.00 177.40 176.48 2ooi n SER 86 N -0.67 2.27 0.00 4.39 2.88 -0.19 -4.90 113.62 117.41 2ooi n SER 86 Ca 0.53 -0.00 0.00 0.00 -1.33 0.00 0.00 58.87 58.07 2ooi n SER 86 Cb 0.51 -0.35 0.00 0.00 -0.75 0.00 0.00 64.21 63.62 2ooi n SER 86 CO 0.00 0.00 0.00 0.54 -1.23 0.00 0.00 175.04 174.35 2ooi n ARG 91 N -3.24 0.00 -3.38 -1.46 1.74 -1.26 -4.84 116.66 104.22 2ooi n ARG 91 Ca -0.33 0.00 -0.30 0.00 -0.77 0.00 0.00 57.85 56.45 2ooi n ARG 91 Cb 0.81 0.00 -0.04 0.00 -1.02 0.00 0.00 32.46 32.21 2ooi n ARG 91 CO 0.00 0.00 0.00 -1.64 -1.52 0.00 0.00 177.63 174.47 2ooi s MET 92 N 0.00 3.68 0.27 5.56 -1.94 -1.26 -1.76 119.30 123.86 2ooi s MET 92 Ca 0.00 0.09 -0.14 0.00 -1.71 0.00 0.00 55.69 53.93 2ooi s MET 92 Cb 0.00 -2.66 0.00 0.00 2.01 0.00 0.00 34.83 34.19 2ooi s MET 92 CO 0.00 0.26 0.55 0.95 -0.01 0.00 0.00 175.02 176.76 2ooi s THR 93 N -1.98 0.00 -0.08 2.05 -4.23 -0.72 -4.98 115.64 105.70 2ooi s THR 93 Ca 0.45 -1.32 -0.08 0.00 -1.18 0.00 0.00 61.69 59.56 2ooi s THR 93 Cb -0.11 -2.26 0.02 0.00 1.34 0.00 0.00 72.50 71.50 2ooi s THR 93 CO 0.27 0.00 0.23 -0.44 -0.54 0.00 0.00 174.62 174.14 2ooi s SER 94 N -3.02 -0.23 -0.37 3.99 0.01 -1.26 -1.31 113.70 111.50 2ooi s SER 94 Ca 0.21 0.43 -0.10 0.00 1.31 0.00 0.00 55.95 57.80 2ooi s SER 94 Cb -0.02 0.46 0.04 0.00 0.21 0.00 0.00 66.02 66.70 2ooi s SER 94 CO 0.10 -0.10 0.20 -0.54 0.41 0.00 0.00 173.24 173.31 2ooi s LYS 95 N 0.05 2.76 -0.01 12.44 1.02 -0.48 -4.98 119.74 130.53 2ooi s LYS 95 Ca -0.01 -1.14 -0.30 0.00 0.02 0.00 0.00 55.97 54.54 2ooi s LYS 95 Cb -0.02 -3.70 -0.06 0.00 -0.52 0.00 0.00 37.83 33.54 2ooi s LYS 95 CO 0.00 -0.73 1.47 0.08 -0.92 0.00 0.00 175.35 175.25 2ooi s VAL 96 N 1.52 3.63 -0.25 3.17 1.01 -1.26 -1.48 120.40 126.74 2ooi s VAL 96 Ca 0.01 0.98 0.05 0.00 0.00 0.00 0.00 61.98 63.02 2ooi s VAL 96 Cb -0.20 -3.63 -0.19 0.00 0.00 0.00 0.00 36.38 32.37 2ooi s VAL 96 CO 0.06 -0.02 -0.17 0.18 0.00 0.00 0.00 175.10 175.14 2ooi n LEU 97 N 5.75 2.44 -3.83 3.92 4.77 0.48 -4.94 117.00 125.59 2ooi n LEU 97 Ca 0.14 -0.11 -0.13 0.00 -0.03 0.00 0.00 56.01 55.88 2ooi n LEU 97 Cb 0.43 -0.66 -0.15 0.00 -2.33 0.00 0.00 43.42 40.72 2ooi n LEU 97 CO 0.59 0.86 -0.35 -0.69 -1.33 0.00 0.00 177.39 176.48 2ooi s VAL 98 N -2.52 -0.02 -0.04 4.08 1.01 -1.08 -4.98 120.40 116.85 2ooi s VAL 98 Ca -0.30 0.09 0.00 0.00 0.00 0.00 0.00 61.98 61.76 2ooi s VAL 98 Cb 0.08 -0.05 0.03 0.00 0.00 0.00 0.00 36.38 36.44 2ooi s VAL 98 CO 0.64 0.04 -0.01 0.12 0.00 0.00 0.00 175.10 175.89 2ooi s PHE 99 N 0.44 0.48 0.10 5.22 5.36 -1.26 -0.65 117.98 127.67 2ooi s PHE 99 Ca -0.04 -0.07 -0.23 0.00 -0.96 0.00 0.00 56.93 55.64 2ooi s PHE 99 Cb -0.05 -0.56 0.06 0.00 -0.34 0.00 0.00 43.02 42.13 2ooi s PHE 99 CO -0.01 -0.19 0.56 -1.59 -1.46 0.00 0.00 175.22 172.53 2ooi s LYS 100 N 1.25 1.15 -0.18 10.12 -2.85 0.13 -4.95 119.74 124.41 2ooi s LYS 100 Ca -0.06 -0.35 -0.15 0.00 -1.00 0.00 0.00 55.97 54.41 2ooi s LYS 100 Cb -0.13 0.53 -0.04 0.00 -2.06 0.00 0.00 37.83 36.12 2ooi s LYS 100 CO -0.02 -0.46 0.35 -2.00 0.10 0.00 0.00 175.35 173.32 2ooi s GLU 101 N -3.08 4.21 -0.19 1.78 2.12 -1.26 0.54 118.70 122.81 2ooi s GLU 101 Ca -0.02 0.14 -0.03 0.00 0.36 0.00 0.00 54.97 55.42 2ooi s GLU 101 Cb -0.00 -3.49 -0.01 0.00 0.26 0.00 0.00 34.13 30.88 2ooi s GLU 101 CO -0.07 0.08 -0.06 -1.64 -0.54 0.00 0.00 175.26 173.03 2ooi s MET 102 N 0.95 3.41 0.29 4.30 -1.94 0.41 -4.95 119.30 121.76 2ooi s MET 102 Ca 0.18 -0.63 -0.02 0.00 -1.71 0.00 0.00 55.69 53.51 2ooi s MET 102 Cb -0.14 -2.91 0.40 0.00 2.01 0.00 0.00 34.83 34.19 2ooi s MET 102 CO 0.06 -0.06 1.91 0.00 -0.01 0.00 0.00 175.02 176.92 2ooi h ALA 103 N 7.66 1.31 -3.26 3.03 0.00 -1.93 -2.69 119.26 123.38 2ooi h ALA 103 Ca -0.37 -0.12 -0.57 0.00 0.00 0.00 0.00 54.91 53.85 2ooi h ALA 103 Cb 1.17 -0.29 -0.37 0.00 0.00 0.00 0.00 17.79 18.30 2ooi h ALA 103 CO 0.60 0.56 -0.81 0.99 0.00 0.00 0.00 179.25 180.58 2ooi s THR 104 N -5.66 1.32 0.58 0.00 2.01 -1.26 -4.43 115.64 108.19 2ooi s THR 104 Ca -0.11 -0.63 -0.15 0.00 0.31 0.00 0.00 61.69 61.10 2ooi s THR 104 Cb 0.17 -1.37 -0.05 0.00 0.01 0.00 0.00 72.50 71.26 2ooi s THR 104 CO 0.80 0.28 1.03 -2.84 -0.69 0.00 0.00 174.62 173.20 2ooi s PRO 105 N 1.56 3.49 0.60 4.92 0.02 -1.26 -5.01 135.00 139.32 2ooi s PRO 105 Ca 0.02 1.09 -0.18 0.00 0.02 0.00 0.00 61.00 61.96 2ooi s PRO 105 Cb -0.14 -2.06 -0.07 0.00 0.02 0.00 0.00 34.50 32.24 2ooi s PRO 105 CO -0.09 -0.66 0.62 -2.30 -0.33 0.00 0.00 177.00 174.24 2ooi n PRO 106 N -2.01 0.56 -0.20 5.54 -0.02 -1.26 -4.70 135.00 132.91 2ooi n PRO 106 Ca 0.08 0.22 -0.08 0.00 -2.02 0.00 0.00 63.50 61.70 2ooi n PRO 106 Cb 0.53 -1.82 0.06 0.00 -0.02 0.00 0.00 33.50 32.25 2ooi n PRO 106 CO 0.00 0.00 0.00 0.87 1.98 0.00 0.00 175.50 178.35 2ooi h LYS 107 N 0.20 1.03 -0.59 -0.52 1.57 -1.99 -0.56 116.57 115.71 2ooi h LYS 107 Ca -0.46 -0.31 0.08 0.00 -1.87 0.00 0.00 60.65 58.09 2ooi h LYS 107 Cb 1.39 -0.10 -0.07 0.00 0.08 0.00 0.00 32.23 33.53 2ooi h LYS 107 CO 0.47 1.00 0.24 0.66 -0.57 0.00 0.00 179.45 181.25 2ooi h SER 108 N 0.95 0.28 -0.43 0.86 4.64 -2.00 -1.48 113.55 116.36 2ooi h SER 108 Ca 0.17 0.06 -0.06 0.00 -0.47 0.00 0.00 61.79 61.49 2ooi h SER 108 Cb 0.52 0.03 -0.02 0.00 -0.31 0.00 0.00 62.40 62.62 2ooi h SER 108 CO 0.03 0.17 0.05 0.58 -0.87 0.00 0.00 176.83 176.79 2ooi h VAL 109 N 0.45 1.24 -0.04 0.95 2.07 -1.64 -0.60 116.25 118.67 2ooi h VAL 109 Ca 0.29 -0.93 0.00 0.00 0.82 0.00 0.00 66.70 66.88 2ooi h VAL 109 Cb 0.32 0.79 -0.00 0.00 -1.52 0.00 0.00 31.29 30.88 2ooi h VAL 109 CO -0.27 0.33 0.03 1.56 0.02 0.00 0.00 177.57 179.24 2ooi h GLN 110 N 0.76 0.06 0.18 1.57 4.20 -0.29 -0.89 115.11 120.69 2ooi h GLN 110 Ca 0.16 -0.00 -0.00 0.00 0.06 0.00 0.00 58.65 58.86 2ooi h GLN 110 Cb 0.39 -0.01 -0.01 0.00 0.30 0.00 0.00 27.48 28.15 2ooi h GLN 110 CO 0.01 0.04 -0.19 -0.44 -0.67 0.00 0.00 178.83 177.57 2ooi h ASP 111 N 0.06 -0.54 -0.77 1.46 3.32 -1.02 0.38 116.42 119.31 2ooi h ASP 111 Ca 0.02 0.04 0.14 0.00 0.02 0.00 0.00 57.03 57.25 2ooi h ASP 111 Cb -0.01 0.18 -0.05 0.00 0.22 0.00 0.00 39.33 39.67 2ooi h ASP 111 CO -0.00 -0.25 0.51 -0.08 -1.72 0.00 0.00 179.24 177.69 2ooi h GLU 112 N -0.37 0.49 -0.64 3.56 4.57 -1.07 -0.90 114.58 120.21 2ooi h GLU 112 Ca -0.02 -0.03 0.00 0.00 -1.18 0.00 0.00 59.36 58.13 2ooi h GLU 112 Cb 0.33 -0.11 0.00 0.00 -0.16 0.00 0.00 28.75 28.81 2ooi h GLU 112 CO -0.03 0.32 0.00 1.28 -1.18 0.00 0.00 179.01 179.40 2ooi n LEU 113 N -4.50 4.50 -3.83 1.64 4.77 -0.35 -4.94 117.00 114.30 2ooi n LEU 113 Ca 0.14 -2.35 -0.32 0.00 -0.03 0.00 0.00 56.01 53.44 2ooi n LEU 113 Cb 0.48 -0.54 0.02 0.00 -2.33 0.00 0.00 43.42 41.05 2ooi n LEU 113 CO 0.32 0.84 -0.14 0.00 -1.33 0.00 0.00 177.39 177.09 2ooi n GLN 114 N 1.15 -1.60 -4.09 3.23 6.02 -0.34 -4.77 117.38 116.98 2ooi n GLN 114 Ca 0.25 0.37 -0.25 0.00 -0.01 0.00 0.00 57.00 57.36 2ooi n GLN 114 Cb 0.82 -3.95 -0.07 0.00 1.02 0.00 0.00 30.24 28.06 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 -6.79 3.11 0.51 1.08 1.02 0.13 -5.04 118.68 112.70 2ooi s LEU 115 Ca 0.34 -1.07 0.03 0.00 0.02 0.00 0.00 54.13 53.45 2ooi s LEU 115 Cb -0.14 -1.46 -0.01 0.00 0.02 0.00 0.00 46.19 44.61 2ooi s LEU 115 CO 0.89 -0.58 0.13 0.54 0.02 0.00 0.00 176.35 177.35 2ooi s ASN 116 N -3.94 4.28 0.36 2.29 2.20 -1.26 -4.61 114.94 114.26 2ooi s ASN 116 Ca 0.41 -1.48 0.10 0.00 -0.94 0.00 0.00 52.86 50.95 2ooi s ASN 116 Cb 0.03 0.36 0.86 0.00 -2.00 0.00 0.00 41.25 40.49 2ooi s ASN 116 CO 0.23 -0.88 1.84 0.00 -2.94 0.00 0.00 177.10 175.35 2ooi h ALA 117 N 1.21 1.88 -0.20 3.54 0.00 -1.94 -3.22 119.26 120.52 2ooi h ALA 117 Ca -0.42 0.03 -0.17 0.00 0.00 0.00 0.00 54.91 54.35 2ooi h ALA 117 Cb 1.30 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 19.00 2ooi h ALA 117 CO 0.69 -0.16 -0.54 0.38 0.00 0.00 0.00 179.25 179.62 2ooi h ASP 118 N 0.65 0.82 -3.36 0.00 3.04 -1.97 -3.38 116.42 112.23 2ooi h ASP 118 Ca 0.48 -0.58 -0.55 0.00 -3.24 0.00 0.00 57.03 53.15 2ooi h ASP 118 Cb 0.86 -0.24 -0.04 0.00 -1.04 0.00 0.00 39.33 38.88 2ooi h ASP 118 CO -0.24 1.25 -0.04 1.51 -2.04 0.00 0.00 179.24 179.68 2ooi s ASP 119 N -6.83 6.89 0.32 4.15 1.47 -1.22 -4.81 116.67 116.64 2ooi s ASP 119 Ca -0.12 1.16 -0.16 0.00 1.18 0.00 0.00 52.55 54.61 2ooi s ASP 119 Cb 0.08 -2.32 -0.09 0.00 -0.34 0.00 0.00 42.92 40.25 2ooi s ASP 119 CO 0.86 0.11 0.75 -0.89 0.68 0.00 0.00 175.17 176.68 2ooi s THR 120 N -1.44 4.65 0.19 2.11 2.01 -1.26 -4.58 115.64 117.32 2ooi s THR 120 Ca 0.38 1.00 0.08 0.00 0.31 0.00 0.00 61.69 63.47 2ooi s THR 120 Cb -0.16 -3.63 -0.04 0.00 0.01 0.00 0.00 72.50 68.68 2ooi s THR 120 CO 0.19 -0.17 -0.16 0.68 -0.69 0.00 0.00 174.62 174.47 2ooi s VAL 121 N -1.97 1.82 -0.11 3.82 -7.23 -1.02 -2.27 120.40 113.45 2ooi s VAL 121 Ca 0.54 -2.10 -0.05 0.00 -1.81 0.00 0.00 61.98 58.56 2ooi s VAL 121 Cb -0.11 -1.97 -0.04 0.00 0.56 0.00 0.00 36.38 34.83 2ooi s VAL 121 CO 0.17 -0.46 0.10 -0.31 -0.31 0.00 0.00 175.10 174.29 2ooi s TYR 122 N -2.54 3.47 -0.04 2.82 1.51 0.50 -0.44 117.35 122.63 2ooi s TYR 122 Ca 0.20 0.43 0.04 0.00 -1.01 0.00 0.00 57.07 56.73 2ooi s TYR 122 Cb -0.03 -1.89 -0.03 0.00 -0.11 0.00 0.00 41.96 39.90 2ooi s TYR 122 CO 0.07 0.66 -0.13 -0.47 -1.11 0.00 0.00 175.55 174.57 2ooi s TYR 123 N -0.99 2.72 -0.04 2.71 5.04 0.19 -0.95 117.35 126.03 2ooi s TYR 123 Ca 0.15 -0.14 -0.01 0.00 -2.44 0.00 0.00 57.07 54.62 2ooi s TYR 123 Cb -0.12 -1.62 0.03 0.00 0.35 0.00 0.00 41.96 40.61 2ooi s TYR 123 CO 0.04 0.22 0.07 -1.17 -1.34 0.00 0.00 175.55 173.37 2ooi s LEU 124 N -0.87 0.92 -0.15 6.97 2.96 -0.28 -0.69 118.68 127.53 2ooi s LEU 124 Ca 0.12 0.13 0.00 0.00 -0.22 0.00 0.00 54.13 54.17 2ooi s LEU 124 Cb -0.11 0.08 0.03 0.00 0.50 0.00 0.00 46.19 46.70 2ooi s LEU 124 CO 0.02 -0.14 -0.11 -0.70 -1.32 0.00 0.00 176.35 174.10 2ooi s GLU 125 N 1.14 1.93 -0.01 1.98 2.12 0.18 -0.43 118.70 125.61 2ooi s GLU 125 Ca -0.09 -0.52 0.03 0.00 0.36 0.00 0.00 54.97 54.75 2ooi s GLU 125 Cb -0.12 -2.01 -0.01 0.00 0.26 0.00 0.00 34.13 32.25 2ooi s GLU 125 CO -0.04 -0.31 -0.10 1.03 -0.54 0.00 0.00 175.26 175.30 2ooi s ARG 126 N 1.55 0.83 -0.26 4.30 0.52 0.04 -0.38 118.95 125.54 2ooi s ARG 126 Ca 0.03 -0.36 -0.10 0.00 -0.52 0.00 0.00 55.73 54.79 2ooi s ARG 126 Cb -0.14 -0.80 -0.04 0.00 0.52 0.00 0.00 34.95 34.49 2ooi s ARG 126 CO -0.09 0.21 0.15 -1.17 0.02 0.00 0.00 175.30 174.42 2ooi s LEU 127 N -0.22 3.86 0.06 2.53 2.96 -0.55 -0.11 118.68 127.22 2ooi s LEU 127 Ca 0.04 -0.04 0.03 0.00 -0.22 0.00 0.00 54.13 53.93 2ooi s LEU 127 Cb -0.04 -2.05 -0.04 0.00 0.50 0.00 0.00 46.19 44.56 2ooi s LEU 127 CO -0.00 -0.02 0.04 -0.13 -1.32 0.00 0.00 176.35 174.92 2ooi s ARG 128 N 1.54 2.78 0.06 1.98 1.81 -0.07 -1.38 118.95 125.67 2ooi s ARG 128 Ca 0.07 -0.70 0.05 0.00 -1.72 0.00 0.00 55.73 53.42 2ooi s ARG 128 Cb -0.15 -2.67 -0.03 0.00 -0.45 0.00 0.00 34.95 31.65 2ooi s ARG 128 CO 0.07 0.58 -0.13 -0.06 -0.68 0.00 0.00 175.30 175.08 2ooi s PHE 129 N -1.30 1.15 -0.08 -0.53 0.08 -0.42 -0.50 117.98 116.38 2ooi s PHE 129 Ca 0.26 -0.45 0.02 0.00 0.12 0.00 0.00 56.93 56.87 2ooi s PHE 129 Cb -0.12 -0.65 0.02 0.00 -0.57 0.00 0.00 43.02 41.69 2ooi s PHE 129 CO 0.18 0.04 -0.12 0.08 -0.10 0.00 0.00 175.22 175.30 2ooi s VAL 130 N -1.24 1.15 -1.22 -0.44 1.01 0.00 -1.76 120.40 117.90 2ooi s VAL 130 Ca -0.03 -0.46 -0.00 0.00 0.00 0.00 0.00 61.98 61.49 2ooi s VAL 130 Cb -0.10 -1.08 0.00 0.00 0.00 0.00 0.00 36.38 35.21 2ooi s VAL 130 CO 0.02 0.37 0.01 0.47 0.00 0.00 0.00 175.10 175.96 2ooi n ASP 131 N 4.09 0.72 0.00 3.32 8.00 -0.72 0.08 116.55 132.03 2ooi n ASP 131 Ca -0.20 -1.00 0.00 0.00 0.71 0.00 0.00 54.79 54.29 2ooi n ASP 131 Cb 0.51 -1.25 0.00 0.00 -0.02 0.00 0.00 41.12 40.37 2ooi n ASP 131 CO 0.00 0.00 0.00 -0.67 -0.39 0.00 0.00 177.20 176.14 2ooi n ASP 132 N -2.19 0.00 -4.71 -2.24 2.03 -1.26 -5.02 116.55 103.15 2ooi n ASP 132 Ca -0.25 0.00 -0.35 0.00 0.52 0.00 0.00 54.79 54.70 2ooi n ASP 132 Cb 0.55 0.00 -0.09 0.00 -0.72 0.00 0.00 41.12 40.86 2ooi n ASP 132 CO 0.00 0.00 0.00 -1.81 -1.92 0.00 0.00 177.20 173.47 2ooi s ASP 133 N -3.10 5.87 -0.06 1.67 1.01 0.11 -5.06 116.67 117.11 2ooi s ASP 133 Ca 0.00 0.20 -0.30 0.00 0.71 0.00 0.00 52.55 53.17 2ooi s ASP 133 Cb 0.00 -1.95 -0.05 0.00 1.01 0.00 0.00 42.92 41.92 2ooi s ASP 133 CO 0.00 0.25 1.64 0.54 0.21 0.00 0.00 175.17 177.81 2ooi s VAL 134 N -0.10 3.61 -0.23 -1.27 0.11 -1.26 -0.82 120.40 120.44 2ooi s VAL 134 Ca 0.08 0.74 -0.05 0.00 -2.93 0.00 0.00 61.98 59.81 2ooi s VAL 134 Cb -0.12 -3.48 -0.18 0.00 -1.53 0.00 0.00 36.38 31.08 2ooi s VAL 134 CO 0.01 -0.06 -0.11 -0.11 -3.33 0.00 0.00 175.10 171.49 2ooi n LEU 135 N 7.09 2.58 -3.65 2.54 7.94 0.34 -4.69 117.00 129.15 2ooi n LEU 135 Ca 0.17 0.09 -0.02 0.00 -1.11 0.00 0.00 56.01 55.14 2ooi n LEU 135 Cb 0.43 -0.93 -0.01 0.00 0.53 0.00 0.00 43.42 43.43 2ooi n LEU 135 CO 0.62 0.78 0.89 0.00 -1.11 0.00 0.00 177.39 178.57 2ooi s ILE 137 N -2.82 4.67 -0.13 0.00 2.07 -0.94 -0.89 121.20 123.17 2ooi s ILE 137 Ca 0.12 -0.11 0.01 0.00 -1.41 0.00 0.00 60.65 59.27 2ooi s ILE 137 Cb 0.01 -3.00 0.02 0.00 0.13 0.00 0.00 42.46 39.62 2ooi s ILE 137 CO -0.02 0.59 -0.16 -0.70 -1.91 0.00 0.00 174.94 172.74 2ooi s GLU 138 N -0.79 2.34 -0.38 3.50 2.12 0.84 -1.64 118.70 124.69 2ooi s GLU 138 Ca 0.12 -0.59 -0.05 0.00 0.36 0.00 0.00 54.97 54.81 2ooi s GLU 138 Cb -0.12 -2.03 0.08 0.00 0.26 0.00 0.00 34.13 32.32 2ooi s GLU 138 CO 0.03 -0.12 0.16 0.71 -0.54 0.00 0.00 175.26 175.50 2ooi s TYR 139 N 1.14 3.39 -0.07 5.30 2.02 0.78 -0.78 117.35 129.13 2ooi s TYR 139 Ca -0.03 -1.87 0.03 0.00 -0.37 0.00 0.00 57.07 54.84 2ooi s TYR 139 Cb -0.14 -2.76 -0.02 0.00 -0.40 0.00 0.00 41.96 38.64 2ooi s TYR 139 CO -0.05 -0.86 -0.16 -1.12 -1.57 0.00 0.00 175.55 171.79 2ooi s SER 140 N 1.73 3.81 -0.12 2.29 0.01 0.43 -0.92 113.70 120.92 2ooi s SER 140 Ca 0.02 -0.30 0.01 0.00 1.31 0.00 0.00 55.95 56.99 2ooi s SER 140 Cb -0.22 -1.01 -0.01 0.00 0.21 0.00 0.00 66.02 64.99 2ooi s SER 140 CO -0.00 0.28 -0.15 -0.31 0.41 0.00 0.00 173.24 173.46 2ooi s TYR 141 N -0.36 2.75 -0.03 2.43 1.51 -0.14 -1.13 117.35 122.39 2ooi s TYR 141 Ca 0.03 -0.72 0.06 0.00 -1.01 0.00 0.00 57.07 55.42 2ooi s TYR 141 Cb -0.12 -1.81 -0.03 0.00 -0.11 0.00 0.00 41.96 39.89 2ooi s TYR 141 CO 0.02 -0.25 -0.18 0.71 -1.11 0.00 0.00 175.55 174.74 2ooi s TYR 142 N 0.32 2.57 -0.58 2.71 2.02 -0.13 -1.34 117.35 122.93 2ooi s TYR 142 Ca -0.12 -0.26 -0.28 0.00 -0.37 0.00 0.00 57.07 56.04 2ooi s TYR 142 Cb -0.16 -1.56 0.02 0.00 -0.40 0.00 0.00 41.96 39.86 2ooi s TYR 142 CO 0.06 0.13 1.29 -1.58 -1.57 0.00 0.00 175.55 173.88 2ooi s HIS 143 N -0.73 2.46 0.37 2.71 5.65 -0.08 -0.37 115.29 125.30 2ooi s HIS 143 Ca 0.12 0.42 0.11 0.00 0.25 0.00 0.00 55.06 55.95 2ooi s HIS 143 Cb -0.10 -4.47 0.87 0.00 -1.18 0.00 0.00 32.58 27.70 2ooi s HIS 143 CO 0.01 -1.77 1.88 -0.22 -0.65 0.00 0.00 174.74 173.99 2ooi h LYS 144 N 10.18 0.61 0.58 2.88 3.64 -1.79 -1.75 116.57 130.91 2ooi h LYS 144 Ca -0.26 -0.04 -0.02 0.00 -1.27 0.00 0.00 60.65 59.06 2ooi h LYS 144 Cb 1.07 -0.14 -0.00 0.00 -0.41 0.00 0.00 32.23 32.75 2ooi h LYS 144 CO 1.19 0.40 -0.32 1.49 -2.27 0.00 0.00 179.45 179.94 2ooi h GLU 145 N 0.62 -0.80 -0.48 1.90 4.57 -1.91 0.44 114.58 118.92 2ooi h GLU 145 Ca 0.43 0.05 -0.03 0.00 -1.18 0.00 0.00 59.36 58.63 2ooi h GLU 145 Cb 0.75 0.18 -0.02 0.00 -0.16 0.00 0.00 28.75 29.50 2ooi h GLU 145 CO -0.18 -0.54 0.17 0.82 -1.18 0.00 0.00 179.01 178.10 2ooi h ILE 146 N -0.83 1.22 0.00 2.32 2.04 -1.82 -3.14 117.51 117.30 2ooi h ILE 146 Ca -0.07 -0.71 0.00 0.00 1.00 0.00 0.00 64.86 65.08 2ooi h ILE 146 Cb 0.66 0.78 0.00 0.00 -0.74 0.00 0.00 36.82 37.52 2ooi h ILE 146 CO 0.10 0.26 -0.55 0.58 0.00 0.00 0.00 178.15 178.53 2ooi h VAL 147 N 0.64 0.00 0.00 1.67 2.07 -1.30 -3.48 116.25 115.86 2ooi h VAL 147 Ca 0.16 -0.99 0.00 0.00 0.82 0.00 0.00 66.70 66.69 2ooi h VAL 147 Cb 0.24 1.71 0.00 0.00 -1.52 0.00 0.00 31.29 31.71 2ooi h VAL 147 CO -0.01 0.00 0.00 0.29 0.02 0.00 0.00 177.57 177.87 2ooi n LYS 148 N -2.85 0.00 -3.60 1.57 5.02 0.15 -4.73 118.16 113.74 2ooi n LYS 148 Ca 0.02 0.00 -0.02 0.00 -2.02 0.00 0.00 58.31 56.29 2ooi n LYS 148 Cb 0.54 -0.05 -0.06 0.00 -0.02 0.00 0.00 35.03 35.43 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 -0.65 0.11 2.13 5.04 -1.26 -4.92 117.35 117.80 2ooi s TYR 149 Ca 0.00 1.26 0.03 0.00 -2.44 0.00 0.00 57.07 55.92 2ooi s TYR 149 Cb 0.00 0.39 -0.04 0.00 0.35 0.00 0.00 41.96 42.66 2ooi s TYR 149 CO 0.00 -0.32 -0.09 -0.51 -1.34 0.00 0.00 175.55 173.28 2ooi s LEU 150 N 1.64 2.47 0.28 6.97 1.02 -1.26 -5.08 118.68 124.73 2ooi s LEU 150 Ca -0.08 -0.92 -0.11 0.00 0.02 0.00 0.00 54.13 53.04 2ooi s LEU 150 Cb -0.04 -0.26 0.01 0.00 0.02 0.00 0.00 46.19 45.91 2ooi s LEU 150 CO -0.16 -0.33 0.53 0.54 0.02 0.00 0.00 176.35 176.95 2ooi s ASN 151 N -2.80 0.12 0.24 2.29 4.22 -1.26 -5.05 114.94 112.70 2ooi s ASN 151 Ca 0.10 -1.05 0.12 0.00 -2.14 0.00 0.00 52.86 49.89 2ooi s ASN 151 Cb 0.01 0.64 0.14 0.00 1.28 0.00 0.00 41.25 43.32 2ooi s ASN 151 CO -0.01 -1.25 1.47 -2.24 -2.04 0.00 0.00 177.10 173.03 2ooi h ASP 152 N 2.18 0.00 -0.12 3.54 2.03 -1.98 -1.29 116.42 120.79 2ooi h ASP 152 Ca -0.27 0.00 0.03 0.00 -0.73 0.00 0.00 57.03 56.06 2ooi h ASP 152 Cb 1.25 0.00 -0.03 0.00 -0.83 0.00 0.00 39.33 39.72 2ooi h ASP 152 CO 0.36 0.66 -0.06 0.44 -1.03 0.00 0.00 179.24 179.61 2ooi h ASP 153 N 0.00 -0.20 0.84 4.15 3.32 -2.01 -1.99 116.42 120.54 2ooi h ASP 153 Ca -0.01 0.05 -0.05 0.00 0.02 0.00 0.00 57.03 57.04 2ooi h ASP 153 Cb 1.38 0.11 -0.01 0.00 0.22 0.00 0.00 39.33 41.03 2ooi h ASP 153 CO 0.09 -0.08 -0.24 0.40 -1.72 0.00 0.00 179.24 177.68 2ooi h ILE 154 N -0.05 0.62 0.00 0.35 2.04 -1.90 -1.58 117.51 116.99 2ooi h ILE 154 Ca 0.07 -1.14 -0.03 0.00 1.00 0.00 0.00 64.86 64.77 2ooi h ILE 154 Cb 0.15 1.75 -0.00 0.00 -0.74 0.00 0.00 36.82 37.98 2ooi h ILE 154 CO -0.15 0.24 -0.12 0.00 0.00 0.00 0.00 178.15 178.11 2ooi h ALA 155 N 1.76 1.26 0.00 1.87 0.00 -0.72 -2.47 119.26 120.95 2ooi h ALA 155 Ca -0.00 -0.11 -0.01 0.00 0.00 0.00 0.00 54.91 54.78 2ooi h ALA 155 Cb 0.73 -0.02 -0.00 0.00 0.00 0.00 0.00 17.79 18.50 2ooi h ALA 155 CO 0.03 0.15 -0.06 0.87 0.00 0.00 0.00 179.25 180.24 2ooi h LYS 156 N 0.00 0.00 0.00 0.00 1.57 -0.56 -3.45 116.57 114.13 2ooi h LYS 156 Ca -0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 2ooi h LYS 156 Cb 0.36 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.67 2ooi h LYS 156 CO 0.02 0.06 0.00 0.41 -0.57 0.00 0.00 179.45 179.37 2ooi n GLY 157 N -0.90 3.06 3.57 3.86 0.00 -0.93 -4.68 105.19 109.17 2ooi n GLY 157 Ca -0.02 -1.87 -0.43 0.00 0.00 0.00 0.00 46.02 43.70 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 -0.26 6.51 0.14 1.61 0.15 -1.26 -4.94 113.70 115.64 2ooi s SER 158 Ca 0.00 0.15 -0.14 0.00 0.70 0.00 0.00 55.95 56.66 2ooi s SER 158 Cb 0.00 -2.46 0.01 0.00 -1.71 0.00 0.00 66.02 61.85 2ooi s SER 158 CO 0.00 -1.07 1.61 0.40 1.20 0.00 0.00 173.24 175.37 2ooi h ILE 159 N 6.10 1.25 -0.78 6.45 2.04 -1.90 -2.32 117.51 128.35 2ooi h ILE 159 Ca -0.24 -0.97 0.04 0.00 1.00 0.00 0.00 64.86 64.68 2ooi h ILE 159 Cb 1.07 0.99 -0.05 0.00 -0.74 0.00 0.00 36.82 38.10 2ooi h ILE 159 CO 1.04 0.34 0.49 0.15 0.00 0.00 0.00 178.15 180.17 2ooi h PHE 160 N 0.63 0.92 -0.29 1.37 3.57 -1.97 0.17 116.94 121.33 2ooi h PHE 160 Ca 0.13 0.03 -0.14 0.00 3.53 0.00 0.00 57.97 61.52 2ooi h PHE 160 Cb 0.44 -0.30 -0.01 0.00 2.79 0.00 0.00 35.95 38.87 2ooi h PHE 160 CO 0.03 0.51 -0.40 -0.44 -2.23 0.00 0.00 178.31 175.78 2ooi h ASP 161 N 0.94 0.75 -0.31 0.41 3.32 -1.95 -1.55 116.42 118.04 2ooi h ASP 161 Ca 0.32 -0.34 0.01 0.00 0.02 0.00 0.00 57.03 57.04 2ooi h ASP 161 Cb 0.04 -0.21 -0.02 0.00 0.22 0.00 0.00 39.33 39.36 2ooi h ASP 161 CO -0.12 1.06 0.18 0.22 -1.72 0.00 0.00 179.24 178.86 2ooi h TYR 162 N 0.58 0.34 -0.77 4.55 5.03 -0.99 0.26 116.97 125.97 2ooi h TYR 162 Ca 0.05 0.01 0.04 0.00 2.58 0.00 0.00 58.73 61.40 2ooi h TYR 162 Cb 0.94 -0.11 -0.05 0.00 1.55 0.00 0.00 36.73 39.06 2ooi h TYR 162 CO 0.05 0.20 0.49 -0.07 -1.32 0.00 0.00 178.16 177.50 2ooi h LEU 163 N 0.38 0.79 0.19 2.82 4.07 -0.45 0.13 115.31 123.23 2ooi h LEU 163 Ca 0.12 0.00 -0.32 0.00 0.08 0.00 0.00 57.88 57.76 2ooi h LEU 163 Cb -0.00 -0.17 0.01 0.00 1.08 0.00 0.00 40.66 41.58 2ooi h LEU 163 CO -0.06 0.54 -1.57 -0.33 -1.08 0.00 0.00 178.44 175.95 2ooi h GLU 164 N 0.94 0.39 0.03 1.13 5.08 -1.08 0.37 114.58 121.44 2ooi h GLU 164 Ca 0.31 -0.67 -0.17 0.00 -1.00 0.00 0.00 59.36 57.83 2ooi h GLU 164 Cb 0.04 0.25 -0.02 0.00 0.50 0.00 0.00 28.75 29.53 2ooi h GLU 164 CO -0.12 1.32 -0.90 0.77 -1.00 0.00 0.00 179.01 179.08 2ooi h SER 165 N 0.00 0.09 0.01 1.42 0.02 -0.47 -3.12 113.55 111.50 2ooi h SER 165 Ca -0.31 -0.75 -0.00 0.00 -0.84 0.00 0.00 61.79 59.90 2ooi h SER 165 Cb 2.02 -0.03 0.00 0.00 0.14 0.00 0.00 62.40 64.53 2ooi h SER 165 CO 0.17 1.37 -0.00 0.78 -1.14 0.00 0.00 176.83 178.01 2ooi h ASN 166 N -0.83 -0.01 0.58 3.07 4.21 -0.88 -3.37 115.58 118.35 2ooi h ASN 166 Ca -0.23 0.00 0.00 0.00 1.21 0.00 0.00 56.30 57.28 2ooi h ASN 166 Cb 1.32 0.00 0.00 0.00 -1.12 0.00 0.00 38.32 38.52 2ooi h ASN 166 CO -0.08 0.18 0.00 0.23 -1.29 0.00 0.00 177.43 176.47 2ooi n MET 167 N -3.04 0.18 -3.82 0.81 2.81 -0.61 -4.88 117.12 108.57 2ooi n MET 167 Ca -0.00 0.46 -0.28 0.00 -1.81 0.00 0.00 57.70 56.07 2ooi n MET 167 Cb 0.00 -1.88 0.04 0.00 -0.71 0.00 0.00 33.22 30.67 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 -2.23 -6.24 -2.91 0.03 5.02 -0.69 -4.95 118.16 106.19 2ooi n LYS 168 Ca 0.01 0.67 -0.41 0.00 -2.02 0.00 0.00 58.31 56.56 2ooi n LYS 168 Cb 0.19 -5.60 -0.04 0.00 -0.02 0.00 0.00 35.03 29.56 2ooi n LYS 168 CO 0.00 0.00 0.00 -1.17 -0.52 0.00 0.00 177.40 175.71 2ooi s LEU 169 N -7.28 4.27 -0.61 -0.35 2.96 0.03 -4.98 118.68 112.73 2ooi s LEU 169 Ca 0.63 1.28 -0.23 0.00 -0.22 0.00 0.00 54.13 55.59 2ooi s LEU 169 Cb -0.30 -3.24 0.06 0.00 0.50 0.00 0.00 46.19 43.20 2ooi s LEU 169 CO 0.80 -0.26 0.93 -0.13 -1.32 0.00 0.00 176.35 176.38 2ooi s ARG 170 N 1.37 3.20 -0.11 1.98 1.81 -1.26 -4.42 118.95 121.52 2ooi s ARG 170 Ca 0.41 -0.60 -0.20 0.00 -1.72 0.00 0.00 55.73 53.62 2ooi s ARG 170 Cb -0.18 -4.15 -0.04 0.00 -0.45 0.00 0.00 34.95 30.14 2ooi s ARG 170 CO 0.18 -1.64 0.56 0.42 -0.68 0.00 0.00 175.30 174.14 2ooi s ILE 171 N 3.94 5.13 -0.09 1.52 1.01 -1.26 -2.01 121.20 129.43 2ooi s ILE 171 Ca 0.25 1.13 -0.09 0.00 0.00 0.00 0.00 60.65 61.94 2ooi s ILE 171 Cb -0.15 -3.90 -0.03 0.00 0.01 0.00 0.00 42.46 38.39 2ooi s ILE 171 CO 0.14 0.28 -0.18 0.61 0.00 0.00 0.00 174.94 175.79 2ooi n GLY 172 N 3.28 -0.52 3.43 6.18 0.00 0.42 -4.68 105.19 113.30 2ooi n GLY 172 Ca -0.05 -0.17 -0.15 0.00 0.00 0.00 0.00 46.02 45.66 2ooi n GLY 172 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 2ooi s PHE 173 N -1.97 1.12 -0.08 1.61 -0.12 -1.14 -4.94 117.98 112.47 2ooi s PHE 173 Ca -0.15 -1.31 -0.20 0.00 -0.05 0.00 0.00 56.93 55.22 2ooi s PHE 173 Cb 0.02 -0.22 0.04 0.00 -0.63 0.00 0.00 43.02 42.24 2ooi s PHE 173 CO 0.22 -1.02 0.48 -1.54 -0.05 0.00 0.00 175.22 173.30 2ooi s SER 174 N -3.23 -0.43 -0.20 1.98 1.04 -1.26 -0.06 113.70 111.54 2ooi s SER 174 Ca 0.32 0.57 -0.09 0.00 0.48 0.00 0.00 55.95 57.23 2ooi s SER 174 Cb 0.01 0.61 -0.04 0.00 0.10 0.00 0.00 66.02 66.69 2ooi s SER 174 CO 0.19 -0.41 0.10 -1.81 0.98 0.00 0.00 173.24 172.30 2ooi s ASP 175 N -0.77 5.84 -0.14 7.02 1.01 -0.76 -4.97 116.67 123.89 2ooi s ASP 175 Ca -0.08 0.11 -0.01 0.00 0.71 0.00 0.00 52.55 53.28 2ooi s ASP 175 Cb -0.03 -2.02 -0.01 0.00 1.01 0.00 0.00 42.92 41.86 2ooi s ASP 175 CO 0.05 0.14 -0.12 -0.63 0.21 0.00 0.00 175.17 174.82 2ooi s ILE 176 N 0.56 3.11 -0.04 0.77 1.01 -1.26 -1.63 121.20 123.72 2ooi s ILE 176 Ca 0.05 -0.63 0.07 0.00 0.00 0.00 0.00 60.65 60.14 2ooi s ILE 176 Cb -0.12 -2.32 -0.01 0.00 0.01 0.00 0.00 42.46 40.01 2ooi s ILE 176 CO 0.01 0.51 -0.24 -0.36 0.00 0.00 0.00 174.94 174.86 2ooi s PHE 177 N 0.50 2.26 0.06 3.97 0.08 0.10 -4.99 117.98 119.97 2ooi s PHE 177 Ca -0.08 -0.56 -0.11 0.00 0.12 0.00 0.00 56.93 56.30 2ooi s PHE 177 Cb -0.16 -1.47 0.01 0.00 -0.57 0.00 0.00 43.02 40.83 2ooi s PHE 177 CO 0.04 -0.13 0.24 -0.59 -0.10 0.00 0.00 175.22 174.68 2ooi s PHE 178 N -0.33 0.02 0.16 0.36 -0.12 -1.26 -0.23 117.98 116.57 2ooi s PHE 178 Ca 0.02 -0.29 -0.13 0.00 -0.05 0.00 0.00 56.93 56.49 2ooi s PHE 178 Cb -0.12 0.02 0.01 0.00 -0.63 0.00 0.00 43.02 42.30 2ooi s PHE 178 CO 0.01 -0.51 0.36 0.54 -0.05 0.00 0.00 175.22 175.58 2ooi s ASN 179 N -2.37 -0.08 0.10 1.98 2.20 -0.72 -5.00 114.94 111.04 2ooi s ASN 179 Ca -0.01 -0.64 -0.05 0.00 -0.94 0.00 0.00 52.86 51.22 2ooi s ASN 179 Cb 0.01 0.47 -0.05 0.00 -2.00 0.00 0.00 41.25 39.68 2ooi s ASN 179 CO -0.07 -0.91 0.33 -0.69 -2.94 0.00 0.00 177.10 172.82 2ooi s VAL 180 N -3.90 5.22 0.35 3.54 1.01 -1.26 -0.42 120.40 124.95 2ooi s VAL 180 Ca 0.11 0.01 -0.13 0.00 0.00 0.00 0.00 61.98 61.97 2ooi s VAL 180 Cb 0.02 -3.62 0.03 0.00 0.00 0.00 0.00 36.38 32.82 2ooi s VAL 180 CO -0.04 0.13 0.68 -0.62 0.00 0.00 0.00 175.10 175.24 2ooi s ASP 181 N -2.28 0.22 0.28 3.32 -1.08 -0.72 -4.91 116.67 111.50 2ooi s ASP 181 Ca 0.37 -1.17 -0.13 0.00 -0.52 0.00 0.00 52.55 51.11 2ooi s ASP 181 Cb -0.13 0.77 -0.08 0.00 -1.46 0.00 0.00 42.92 42.03 2ooi s ASP 181 CO 0.23 -1.52 0.66 -0.54 0.52 0.00 0.00 175.17 174.52 2ooi s LYS 182 N -2.78 3.92 0.46 4.34 1.02 -1.26 -0.79 119.74 124.64 2ooi s LYS 182 Ca 0.19 0.50 -0.13 0.00 0.02 0.00 0.00 55.97 56.56 2ooi s LYS 182 Cb -0.04 -2.52 -0.07 0.00 -0.52 0.00 0.00 37.83 34.68 2ooi s LYS 182 CO 0.13 0.23 0.87 -0.51 -0.92 0.00 0.00 175.35 175.15 2ooi s LEU 183 N -2.91 3.71 0.93 3.17 1.43 0.13 -4.83 118.68 120.30 2ooi s LEU 183 Ca 0.51 1.31 -0.14 0.00 -1.03 0.00 0.00 54.13 54.79 2ooi s LEU 183 Cb -0.11 -4.23 0.19 0.00 0.03 0.00 0.00 46.19 42.07 2ooi s LEU 183 CO 0.19 -0.51 1.28 -0.89 0.23 0.00 0.00 176.35 176.65 2ooi s THR 184 N -2.53 2.02 0.02 5.49 2.01 -1.26 -1.53 115.64 119.85 2ooi s THR 184 Ca 0.54 -0.08 -0.23 0.00 0.31 0.00 0.00 61.69 62.23 2ooi s THR 184 Cb -0.10 -2.93 -0.16 0.00 0.01 0.00 0.00 72.50 69.31 2ooi s THR 184 CO 0.33 0.00 1.36 -1.28 -0.69 0.00 0.00 174.62 174.34 2ooi h SER 185 N -1.48 0.18 0.19 3.53 0.87 -1.96 -2.07 113.55 112.81 2ooi h SER 185 Ca -0.43 -0.43 -0.15 0.00 -1.23 0.00 0.00 61.79 59.55 2ooi h SER 185 Cb 1.24 -0.05 -0.01 0.00 -0.44 0.00 0.00 62.40 63.14 2ooi h SER 185 CO 0.39 0.57 -0.54 0.77 -0.53 0.00 0.00 176.83 177.49 2ooi h SER 186 N -0.21 0.42 -0.04 6.23 4.64 -1.99 -2.09 113.55 120.51 2ooi h SER 186 Ca 0.02 -0.22 -0.01 0.00 -0.47 0.00 0.00 61.79 61.11 2ooi h SER 186 Cb 0.51 -0.12 -0.00 0.00 -0.31 0.00 0.00 62.40 62.48 2ooi h SER 186 CO 0.01 0.88 -0.01 -0.33 -0.87 0.00 0.00 176.83 176.51 2ooi h GLU 187 N 0.29 0.09 -0.89 4.77 5.08 -1.94 0.43 114.58 122.41 2ooi h GLU 187 Ca 0.01 -0.03 0.14 0.00 -1.00 0.00 0.00 59.36 58.47 2ooi h GLU 187 Cb 1.05 -0.00 -0.07 0.00 0.50 0.00 0.00 28.75 30.22 2ooi h GLU 187 CO 0.09 0.44 0.57 0.00 -1.00 0.00 0.00 179.01 179.12 2ooi h ALA 188 N 0.64 1.81 0.38 3.43 0.00 -1.37 0.35 119.26 124.50 2ooi h ALA 188 Ca 0.01 0.01 -0.02 0.00 0.00 0.00 0.00 54.91 54.92 2ooi h ALA 188 Cb 0.41 -0.13 0.00 0.00 0.00 0.00 0.00 17.79 18.07 2ooi h ALA 188 CO 0.00 -0.05 -0.18 1.03 0.00 0.00 0.00 179.25 180.05 2ooi h SER 189 N 0.71 -0.44 -0.97 0.00 0.87 -0.99 0.51 113.55 113.24 2ooi h SER 189 Ca 0.44 -0.10 0.15 0.00 -1.23 0.00 0.00 61.79 61.06 2ooi h SER 189 Cb 0.69 0.11 -0.09 0.00 -0.44 0.00 0.00 62.40 62.67 2ooi h SER 189 CO -0.20 -0.15 0.61 -0.07 -0.53 0.00 0.00 176.83 176.49 2ooi h LEU 190 N -0.73 0.79 -3.12 2.23 3.38 -0.02 -2.54 115.31 115.31 2ooi h LEU 190 Ca -0.05 0.06 0.00 0.00 0.09 0.00 0.00 57.88 57.98 2ooi h LEU 190 Cb 0.51 -0.09 0.00 0.00 0.09 0.00 0.00 40.66 41.16 2ooi h LEU 190 CO 0.09 0.37 0.00 0.18 0.09 0.00 0.00 178.44 179.17 2ooi n LEU 191 N -4.64 4.92 -3.55 1.67 4.77 0.03 -4.94 117.00 115.25 2ooi n LEU 191 Ca 0.20 -2.49 -0.18 0.00 -0.03 0.00 0.00 56.01 53.50 2ooi n LEU 191 Cb 0.47 -0.64 0.01 0.00 -2.33 0.00 0.00 43.42 40.93 2ooi n LEU 191 CO 0.26 0.61 -0.11 0.00 -1.33 0.00 0.00 177.39 176.82 2ooi n GLN 192 N 0.64 -0.70 -4.46 3.23 0.00 -0.90 -5.00 117.38 110.19 2ooi n GLN 192 Ca 0.24 0.05 -0.25 0.00 0.00 0.00 0.00 57.00 57.04 2ooi n GLN 192 Cb 1.01 -0.92 -0.08 0.00 0.00 0.00 0.00 30.24 30.26 2ooi n GLN 192 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.06 176.55 2ooi s LEU 193 N -4.94 1.92 0.01 2.61 1.43 0.17 -5.03 118.68 114.86 2ooi s LEU 193 Ca 0.13 -1.74 -0.15 0.00 -1.03 0.00 0.00 54.13 51.34 2ooi s LEU 193 Cb -0.07 0.11 -0.06 0.00 0.03 0.00 0.00 46.19 46.20 2ooi s LEU 193 CO 0.47 -1.01 0.42 -0.44 0.23 0.00 0.00 176.35 176.03 2ooi s SER 194 N -3.56 6.83 0.02 2.29 0.01 -1.26 -4.13 113.70 113.89 2ooi s SER 194 Ca 0.27 0.99 -0.30 0.00 1.31 0.00 0.00 55.95 58.22 2ooi s SER 194 Cb 0.02 -2.26 -0.15 0.00 0.21 0.00 0.00 66.02 63.83 2ooi s SER 194 CO 0.18 0.32 0.79 0.41 0.41 0.00 0.00 173.24 175.36 2ooi n THR 195 N 1.82 0.18 -0.02 1.44 -1.04 -1.26 -1.72 114.28 113.68 2ooi n THR 195 Ca -0.14 -0.05 0.00 0.00 -2.04 0.00 0.00 64.05 61.83 2ooi n THR 195 Cb 0.52 0.00 0.00 0.00 -1.82 0.00 0.00 70.33 69.03 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 1.23 2.23 3.77 3.41 0.00 -0.59 -4.94 105.19 110.30 2ooi n GLY 196 Ca 0.16 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.86 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 -0.24 2.25 0.87 1.61 2.02 -0.70 -4.20 118.70 120.31 2ooi s GLU 197 Ca 0.00 1.19 -0.11 0.00 0.02 0.00 0.00 54.97 56.08 2ooi s GLU 197 Cb 0.00 -1.89 0.12 0.00 0.10 0.00 0.00 34.13 32.45 2ooi s GLU 197 CO 0.00 -1.65 1.14 -2.14 0.02 0.00 0.00 175.26 172.63 2ooi s PRO 198 N -4.85 1.37 0.27 0.39 0.02 -1.26 -0.69 135.00 130.25 2ooi s PRO 198 Ca 0.62 1.51 -0.21 0.00 0.02 0.00 0.00 61.00 62.94 2ooi s PRO 198 Cb -0.18 -1.77 0.02 0.00 0.02 0.00 0.00 34.50 32.60 2ooi s PRO 198 CO 0.55 -2.37 0.70 0.00 -0.33 0.00 0.00 177.00 175.55 2ooi s LEU 200 N -2.91 3.16 -0.24 0.00 2.96 -1.23 -1.75 118.68 118.67 2ooi s LEU 200 Ca 0.10 -0.18 -0.11 0.00 -0.22 0.00 0.00 54.13 53.73 2ooi s LEU 200 Cb -0.05 -1.76 -0.05 0.00 0.50 0.00 0.00 46.19 44.83 2ooi s LEU 200 CO 0.05 0.14 0.17 -0.13 -1.32 0.00 0.00 176.35 175.26 2ooi s ARG 201 N 0.52 4.06 -0.08 1.98 0.52 0.44 -1.29 118.95 125.09 2ooi s ARG 201 Ca -0.04 -0.27 0.00 0.00 -0.52 0.00 0.00 55.73 54.90 2ooi s ARG 201 Cb -0.14 -3.55 0.02 0.00 0.52 0.00 0.00 34.95 31.80 2ooi s ARG 201 CO 0.03 0.03 -0.07 -0.47 0.02 0.00 0.00 175.30 174.84 2ooi s TYR 202 N 1.14 1.21 -0.06 -0.53 5.04 -0.38 -1.76 117.35 122.00 2ooi s TYR 202 Ca 0.08 -0.50 0.02 0.00 -2.44 0.00 0.00 57.07 54.22 2ooi s TYR 202 Cb -0.14 -1.02 -0.03 0.00 0.35 0.00 0.00 41.96 41.12 2ooi s TYR 202 CO 0.05 -0.37 -0.11 -1.58 -1.34 0.00 0.00 175.55 172.20 2ooi s HIS 203 N 1.39 2.81 -0.02 4.97 5.65 0.67 -0.17 115.29 130.59 2ooi s HIS 203 Ca -0.02 -0.11 0.00 0.00 0.25 0.00 0.00 55.06 55.18 2ooi s HIS 203 Cb -0.14 -1.68 0.02 0.00 -1.18 0.00 0.00 32.58 29.60 2ooi s HIS 203 CO -0.04 0.22 -0.00 -1.14 -0.65 0.00 0.00 174.74 173.13 2ooi s GLN 204 N -0.68 0.24 -0.19 2.88 0.74 -0.32 -0.72 119.66 121.61 2ooi s GLN 204 Ca 0.10 0.04 -0.00 0.00 0.05 0.00 0.00 55.36 55.55 2ooi s GLN 204 Cb -0.11 -0.38 0.01 0.00 1.10 0.00 0.00 33.01 33.63 2ooi s GLN 204 CO 0.01 -0.08 -0.17 0.99 -0.55 0.00 0.00 175.29 175.49 2ooi s THR 205 N 0.72 2.36 -0.07 -0.34 2.01 -0.65 -0.73 115.64 118.94 2ooi s THR 205 Ca -0.07 -0.84 -0.12 0.00 0.31 0.00 0.00 61.69 60.97 2ooi s THR 205 Cb -0.10 -2.01 -0.05 0.00 0.01 0.00 0.00 72.50 70.35 2ooi s THR 205 CO -0.01 0.51 0.29 -0.36 -0.69 0.00 0.00 174.62 174.36 2ooi s PHE 206 N 1.30 3.64 0.07 4.92 0.08 -0.37 -1.83 117.98 125.78 2ooi s PHE 206 Ca 0.04 0.76 0.07 0.00 0.12 0.00 0.00 56.93 57.92 2ooi s PHE 206 Cb -0.13 -2.18 -0.04 0.00 -0.57 0.00 0.00 43.02 40.10 2ooi s PHE 206 CO -0.10 0.60 -0.15 0.71 -0.10 0.00 0.00 175.22 176.18 2ooi s TYR 207 N -0.78 2.63 1.07 0.36 2.02 0.91 -1.14 117.35 122.43 2ooi s TYR 207 Ca 0.19 -0.21 -0.15 0.00 -0.37 0.00 0.00 57.07 56.54 2ooi s TYR 207 Cb -0.14 -1.44 0.22 0.00 -0.40 0.00 0.00 41.96 40.20 2ooi s TYR 207 CO 0.08 0.34 1.10 0.95 -1.57 0.00 0.00 175.55 176.45 2ooi s THR 208 N -1.05 1.88 -0.06 -0.71 -4.23 0.05 -0.44 115.64 111.08 2ooi s THR 208 Ca 0.17 0.00 0.31 0.00 -1.18 0.00 0.00 61.69 60.99 2ooi s THR 208 Cb -0.11 -2.49 0.35 0.00 1.34 0.00 0.00 72.50 71.59 2ooi s THR 208 CO 0.09 0.00 1.91 0.24 -0.54 0.00 0.00 174.62 176.32 2ooi h MET 209 N -2.14 0.00 -0.64 3.99 2.86 -1.68 -1.96 114.93 115.35 2ooi h MET 209 Ca -0.52 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.12 2ooi h MET 209 Cb 1.32 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.98 2ooi h MET 209 CO 0.50 0.00 0.00 0.25 1.06 0.00 0.00 176.91 178.72 2ooi n THR 210 N -2.81 1.93 -0.66 2.22 -2.24 -1.26 -4.93 114.28 106.53 2ooi n THR 210 Ca 0.01 -1.13 0.00 0.00 -2.27 0.00 0.00 64.05 60.66 2ooi n THR 210 Cb 0.27 -0.04 0.00 0.00 -2.10 0.00 0.00 70.33 68.45 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 0.91 0.75 3.69 3.38 0.00 -0.74 -5.03 105.19 108.15 2ooi n GLY 211 Ca 0.24 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.85 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 -0.34 4.36 0.16 1.61 1.02 -1.26 -4.76 119.74 120.53 2ooi s LYS 212 Ca 0.00 1.02 -0.30 0.00 0.02 0.00 0.00 55.97 56.71 2ooi s LYS 212 Cb 0.00 -3.53 -0.08 0.00 -0.52 0.00 0.00 37.83 33.70 2ooi s LYS 212 CO 0.00 -0.20 1.22 -1.25 -0.92 0.00 0.00 175.35 174.19 2ooi s PRO 213 N 1.69 4.47 0.00 -1.68 0.04 -1.26 -0.77 135.00 137.49 2ooi s PRO 213 Ca 0.39 1.88 0.00 0.00 0.04 0.00 0.00 61.00 63.31 2ooi s PRO 213 Cb -0.17 -3.26 0.00 0.00 0.04 0.00 0.00 34.50 31.11 2ooi s PRO 213 CO 0.15 -0.15 0.00 1.97 0.04 0.00 0.00 177.00 179.02 2ooi n PHE 214 N 2.84 0.00 -3.69 0.56 1.16 -0.29 -4.85 117.46 113.19 2ooi n PHE 214 Ca 0.06 0.00 -0.14 0.00 -1.87 0.00 0.00 57.45 55.49 2ooi n PHE 214 Cb 0.45 0.00 -0.14 0.00 -1.61 0.00 0.00 39.48 38.18 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 -0.79 0.28 -0.20 5.98 -1.08 -1.24 -0.90 116.67 118.71 2ooi s ASP 215 Ca 0.00 0.46 0.01 0.00 -0.52 0.00 0.00 52.55 52.50 2ooi s ASP 215 Cb 0.00 0.44 0.02 0.00 -1.46 0.00 0.00 42.92 41.92 2ooi s ASP 215 CO 0.00 -0.21 -0.17 -0.55 0.52 0.00 0.00 175.17 174.76 2ooi s SER 216 N 1.96 3.47 0.01 -0.34 0.15 -0.45 -1.24 113.70 117.25 2ooi s SER 216 Ca -0.02 -0.76 0.07 0.00 0.70 0.00 0.00 55.95 55.94 2ooi s SER 216 Cb -0.12 -1.52 -0.02 0.00 -1.71 0.00 0.00 66.02 62.66 2ooi s SER 216 CO -0.07 -0.04 -0.21 -0.44 1.20 0.00 0.00 173.24 173.68 2ooi s SER 217 N 1.28 2.44 -0.09 5.45 0.01 0.09 -0.97 113.70 121.92 2ooi s SER 217 Ca 0.03 -0.43 0.02 0.00 1.31 0.00 0.00 55.95 56.88 2ooi s SER 217 Cb -0.14 -0.25 0.01 0.00 0.21 0.00 0.00 66.02 65.85 2ooi s SER 217 CO -0.11 0.22 -0.16 -1.81 0.41 0.00 0.00 173.24 171.80 2ooi s ASP 218 N -0.73 2.28 -0.02 2.44 1.01 -0.10 -1.17 116.67 120.38 2ooi s ASP 218 Ca 0.08 -0.40 0.06 0.00 0.71 0.00 0.00 52.55 53.00 2ooi s ASP 218 Cb -0.08 -1.04 -0.01 0.00 1.01 0.00 0.00 42.92 42.80 2ooi s ASP 218 CO 0.00 0.05 -0.20 -0.63 0.21 0.00 0.00 175.17 174.60 2ooi s ILE 219 N 0.73 1.60 -0.20 0.77 1.01 0.76 -0.16 121.20 125.72 2ooi s ILE 219 Ca -0.12 -0.86 -0.00 0.00 0.00 0.00 0.00 60.65 59.67 2ooi s ILE 219 Cb -0.16 -1.33 0.01 0.00 0.01 0.00 0.00 42.46 40.99 2ooi s ILE 219 CO 0.03 0.45 -0.15 -0.69 0.00 0.00 0.00 174.94 174.58 2ooi s VAL 220 N -0.42 2.44 0.26 2.92 1.01 -0.65 -1.25 120.40 124.71 2ooi s VAL 220 Ca 0.06 -0.85 -0.13 0.00 0.00 0.00 0.00 61.98 61.06 2ooi s VAL 220 Cb -0.08 -2.08 -0.08 0.00 0.00 0.00 0.00 36.38 34.14 2ooi s VAL 220 CO -0.00 0.47 0.64 -0.36 0.00 0.00 0.00 175.10 175.85 2ooi s PHE 221 N 1.33 3.45 -0.09 5.22 0.40 -0.41 -2.21 117.98 125.67 2ooi s PHE 221 Ca 0.05 1.08 -0.30 0.00 -0.60 0.00 0.00 56.93 57.16 2ooi s PHE 221 Cb -0.14 -2.41 -0.03 0.00 0.51 0.00 0.00 43.02 40.95 2ooi s PHE 221 CO -0.10 0.22 1.23 -1.58 0.70 0.00 0.00 175.22 175.69 2ooi s HIS 222 N -1.81 3.06 0.30 0.36 5.65 -0.10 -3.53 115.29 119.22 2ooi s HIS 222 Ca 0.49 1.13 0.15 0.00 0.25 0.00 0.00 55.06 57.08 2ooi s HIS 222 Cb -0.12 -3.46 0.70 0.00 -1.18 0.00 0.00 32.58 28.53 2ooi s HIS 222 CO 0.19 -1.48 1.78 0.10 -0.65 0.00 0.00 174.74 174.68 2ooi h TYR 223 N 7.72 0.00 0.00 3.88 -0.00 -1.90 -1.48 116.97 125.19 2ooi h TYR 223 Ca -0.32 0.00 -0.28 0.00 0.00 0.00 0.00 58.73 58.14 2ooi h TYR 223 Cb 1.14 0.00 -0.05 0.00 0.00 0.00 0.00 36.73 37.83 2ooi h TYR 223 CO 0.75 0.40 -1.57 0.00 -0.00 0.00 0.00 178.16 177.75 2ooi h ARG 224 N 0.00 0.01 0.00 0.10 3.08 -1.93 -3.37 114.38 112.27 2ooi h ARG 224 Ca -0.00 -0.01 0.00 0.00 0.07 0.00 0.00 59.98 60.03 2ooi h ARG 224 Cb 0.78 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.84 2ooi h ARG 224 CO 0.05 0.61 -0.70 0.72 -1.07 0.00 0.00 179.97 179.58 2ooi n HIS 225 N -3.12 0.50 -3.63 3.04 8.25 -1.14 -4.82 115.22 114.30 2ooi n HIS 225 Ca -0.14 0.15 -0.39 0.00 -0.26 0.00 0.00 57.72 57.08 2ooi n HIS 225 Cb 1.03 -0.62 -0.11 0.00 1.12 0.00 0.00 29.99 31.41 2ooi n HIS 225 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 2ooi s ALA 226 N -3.17 3.34 -0.05 -1.41 0.00 -0.57 -4.98 121.76 114.91 2ooi s ALA 226 Ca 0.06 -1.34 0.03 0.00 0.00 0.00 0.00 51.96 50.71 2ooi s ALA 226 Cb 0.14 -2.44 0.00 0.00 0.00 0.00 0.00 23.12 20.82 2ooi s ALA 226 CO 0.74 -0.86 -0.14 -0.65 0.00 0.00 0.00 175.76 174.84 2ooi s GLN 227 N 1.65 1.69 0.21 0.00 -1.52 -1.26 -4.89 119.66 115.55 2ooi s GLN 227 Ca 0.05 -0.50 0.10 0.00 -1.95 0.00 0.00 55.36 53.07 2ooi s GLN 227 Cb -0.17 -1.43 -0.05 0.00 -0.22 0.00 0.00 33.01 31.15 2ooi s GLN 227 CO 0.07 0.13 -0.19 -0.06 -0.25 0.00 0.00 175.29 175.00 2ooi s PHE 228 N 0.33 2.02 -0.05 0.91 0.40 -1.26 -0.56 117.98 119.76 2ooi s PHE 228 Ca -0.09 -0.43 -0.09 0.00 -0.60 0.00 0.00 56.93 55.72 2ooi s PHE 228 Cb -0.13 -0.94 0.02 0.00 0.51 0.00 0.00 43.02 42.47 2ooi s PHE 228 CO 0.03 0.49 0.22 -0.47 0.70 0.00 0.00 175.22 176.18 2ooi s TYR 229 N -2.36 -0.15 -0.11 0.36 5.04 0.05 -4.83 117.35 115.35 2ooi s TYR 229 Ca 0.23 0.32 -0.11 0.00 -2.44 0.00 0.00 57.07 55.07 2ooi s TYR 229 Cb -0.05 0.05 0.03 0.00 0.35 0.00 0.00 41.96 42.34 2ooi s TYR 229 CO 0.10 -0.22 0.32 0.42 -1.34 0.00 0.00 175.55 174.82 2ooi s ILE 230 N -0.61 0.00 -0.22 3.14 1.01 -1.26 -3.06 121.20 120.20 2ooi s ILE 230 Ca -0.07 -0.02 -0.13 0.00 0.00 0.00 0.00 60.65 60.42 2ooi s ILE 230 Cb -0.04 -0.45 -0.04 0.00 0.01 0.00 0.00 42.46 41.93 2ooi s ILE 230 CO 0.01 -0.01 0.29 -2.16 0.00 0.00 0.00 174.94 173.08 2ooi s PRO 231 N 0.11 4.11 0.41 2.79 0.04 -1.26 -5.11 135.00 136.09 2ooi s PRO 231 Ca -0.01 -0.02 0.08 0.00 0.04 0.00 0.00 61.00 61.09 2ooi s PRO 231 Cb -0.02 -3.55 -0.00 0.00 0.04 0.00 0.00 34.50 30.96 2ooi s PRO 231 CO 0.01 -0.02 0.48 -1.12 0.04 0.00 0.00 177.00 176.38 2ooi s SER 232 N 1.12 5.39 0.00 6.66 0.01 -1.26 -5.06 113.70 120.56 2ooi s SER 232 Ca 0.14 -0.56 0.00 0.00 1.31 0.00 0.00 55.95 56.84 2ooi s SER 232 Cb -0.14 -0.64 0.00 0.00 0.21 0.00 0.00 66.02 65.44 2ooi s SER 232 CO 0.07 -0.70 0.00 0.29 0.41 0.00 0.00 173.24 173.31