#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3iiy n LYS 79 N 4.46 0.13 -4.02 0.00 5.02 -1.26 -4.69 118.16 117.81 3iiy n LYS 79 Ca 0.13 0.54 -0.34 0.00 -2.02 0.00 0.00 58.31 56.62 3iiy n LYS 79 Cb 0.41 -1.86 -0.15 0.00 -0.02 0.00 0.00 35.03 33.41 3iiy n LYS 79 CO 0.00 0.00 0.00 0.71 -0.52 0.00 0.00 177.40 177.59 3iiy s TYR 80 N -3.40 2.88 -0.10 2.13 2.02 -1.26 -5.10 117.35 114.52 3iiy s TYR 80 Ca 0.00 -1.35 0.04 0.00 -0.37 0.00 0.00 57.07 55.39 3iiy s TYR 80 Cb 0.07 -2.01 -0.00 0.00 -0.40 0.00 0.00 41.96 39.62 3iiy s TYR 80 CO 0.24 -0.69 -0.23 -1.12 -1.57 0.00 0.00 175.55 172.17 3iiy s SER 81 N 1.37 3.14 0.17 2.29 0.01 -1.26 -4.98 113.70 114.44 3iiy s SER 81 Ca 0.05 -0.55 0.11 0.00 1.31 0.00 0.00 55.95 56.86 3iiy s SER 81 Cb -0.14 -1.42 -0.04 0.00 0.21 0.00 0.00 66.02 64.63 3iiy s SER 81 CO -0.08 0.16 -0.24 -0.36 0.41 0.00 0.00 173.24 173.12 3iiy s PHE 82 N 0.37 2.21 -0.02 2.43 0.08 -1.26 0.17 117.98 121.96 3iiy s PHE 82 Ca -0.18 -0.38 0.07 0.00 0.12 0.00 0.00 56.93 56.56 3iiy s PHE 82 Cb -0.18 -1.13 -0.02 0.00 -0.57 0.00 0.00 43.02 41.12 3iiy s PHE 82 CO 0.08 0.41 -0.21 0.21 -0.10 0.00 0.00 175.22 175.61 3iiy s LYS 83 N -2.45 1.71 -0.17 0.44 2.20 -0.03 -4.91 119.74 116.54 3iiy s LYS 83 Ca 0.17 -0.76 -0.29 0.00 -0.36 0.00 0.00 55.97 54.73 3iiy s LYS 83 Cb -0.08 -1.66 -0.01 0.00 -1.51 0.00 0.00 37.83 34.56 3iiy s LYS 83 CO 0.08 0.46 1.20 0.00 -0.36 0.00 0.00 175.35 176.73 3iiy n VAL 85 N 5.26 0.00 -3.60 0.00 0.24 -0.62 -4.96 118.33 114.66 3iiy n VAL 85 Ca 0.13 -0.22 -0.06 0.00 -2.04 0.00 0.00 64.34 62.15 3iiy n VAL 85 Cb 0.45 0.34 -0.02 0.00 -1.47 0.00 0.00 33.84 33.15 3iiy n VAL 85 CO 0.00 0.00 0.00 0.21 -2.14 0.00 0.00 176.83 174.90 3iiy s ASN 86 N -2.99 -0.27 -0.11 -1.34 2.47 -1.22 -4.66 114.94 106.82 3iiy s ASN 86 Ca -0.03 -0.15 -0.20 0.00 0.42 0.00 0.00 52.86 52.90 3iiy s ASN 86 Cb 0.06 0.40 0.05 0.00 -1.45 0.00 0.00 41.25 40.31 3iiy s ASN 86 CO 0.39 -0.69 0.50 -0.55 -3.72 0.00 0.00 177.10 173.04 3iiy s SER 87 N -2.66 -0.48 0.31 -4.21 0.15 -1.26 -1.24 113.70 104.32 3iiy s SER 87 Ca 0.08 0.71 -0.05 0.00 0.70 0.00 0.00 55.95 57.39 3iiy s SER 87 Cb -0.01 0.73 0.02 0.00 -1.71 0.00 0.00 66.02 65.05 3iiy s SER 87 CO -0.05 -0.36 0.49 0.00 1.20 0.00 0.00 173.24 174.53 3iiy n LEU 88 N 1.92 0.00 -3.70 3.45 -0.00 -0.13 -4.97 117.00 113.57 3iiy n LEU 88 Ca -0.17 -2.38 -0.11 0.00 -0.00 0.00 0.00 56.01 53.35 3iiy n LEU 88 Cb 0.56 2.50 -0.11 0.00 -0.00 0.00 0.00 43.42 46.37 3iiy n LEU 88 CO 0.16 -0.61 0.02 -0.75 -0.00 0.00 0.00 177.39 176.22 3iiy s LYS 89 N -2.51 0.36 0.51 1.47 2.20 -1.26 0.90 119.74 121.40 3iiy s LYS 89 Ca 0.22 0.75 -0.18 0.00 -0.36 0.00 0.00 55.97 56.40 3iiy s LYS 89 Cb -0.02 -0.03 -0.08 0.00 -1.51 0.00 0.00 37.83 36.19 3iiy s LYS 89 CO 0.16 -0.16 0.99 -1.21 -0.36 0.00 0.00 175.35 174.77 3iiy s GLU 90 N 1.42 3.90 0.54 4.03 2.02 -0.79 -4.96 118.70 124.86 3iiy s GLU 90 Ca -0.09 1.07 0.28 0.00 0.02 0.00 0.00 54.97 56.24 3iiy s GLU 90 Cb -0.09 -2.13 1.53 0.00 0.10 0.00 0.00 34.13 33.55 3iiy s GLU 90 CO -0.12 -0.32 2.12 0.38 0.02 0.00 0.00 175.26 177.34 3iiy h ASP 91 N 1.13 0.00 1.49 -0.19 3.04 -1.99 -3.18 116.42 116.73 3iiy h ASP 91 Ca -0.48 0.00 0.00 0.00 -3.24 0.00 0.00 57.03 53.31 3iiy h ASP 91 Cb 1.19 0.00 0.00 0.00 -1.04 0.00 0.00 39.33 39.48 3iiy h ASP 91 CO 0.60 0.09 0.00 1.12 -2.04 0.00 0.00 179.24 179.01 3iiy h HIS 92 N 0.00 0.00 -2.39 4.15 2.07 -1.97 -3.47 115.15 113.54 3iiy h HIS 92 Ca -0.00 0.00 -0.28 0.00 -2.85 0.00 0.00 60.37 57.24 3iiy h HIS 92 Cb 0.25 0.00 -0.07 0.00 2.57 0.00 0.00 27.41 30.16 3iiy h HIS 92 CO 0.00 0.00 -0.31 0.09 -3.07 0.00 0.00 177.93 174.64 3iiy n ASN 93 N -2.88 -3.97 -4.97 3.10 5.03 -1.20 -5.00 115.26 105.38 3iiy n ASN 93 Ca 0.03 0.26 -0.21 0.00 0.87 0.00 0.00 54.58 55.52 3iiy n ASN 93 Cb 0.42 -3.52 -0.01 0.00 -1.02 0.00 0.00 39.78 35.65 3iiy n ASN 93 CO 0.00 0.00 0.00 -1.10 -1.83 0.00 0.00 177.26 174.33 3iiy s GLN 94 N -4.02 3.35 0.20 3.52 -1.52 -1.26 -4.71 119.66 115.22 3iiy s GLN 94 Ca 0.00 -0.67 -0.32 0.00 -1.95 0.00 0.00 55.36 52.41 3iiy s GLN 94 Cb 0.00 -2.79 -0.13 0.00 -0.22 0.00 0.00 33.01 29.87 3iiy s GLN 94 CO 0.00 0.22 1.62 -2.30 -0.25 0.00 0.00 175.29 174.57 3iiy n PRO 95 N -1.62 2.44 -2.85 2.91 -0.02 -1.14 -2.97 135.00 131.75 3iiy n PRO 95 Ca -0.05 0.88 -0.43 0.00 -2.02 0.00 0.00 63.50 61.88 3iiy n PRO 95 Cb 0.57 -2.66 -0.04 0.00 -0.02 0.00 0.00 33.50 31.34 3iiy n PRO 95 CO 0.00 0.00 0.00 -0.51 1.98 0.00 0.00 175.50 176.97 3iiy s LEU 96 N 0.75 4.04 0.14 2.45 1.43 -0.72 -3.66 118.68 123.12 3iiy s LEU 96 Ca 0.75 0.22 0.20 0.00 -1.03 0.00 0.00 54.13 54.26 3iiy s LEU 96 Cb -0.59 -3.17 -0.06 0.00 0.03 0.00 0.00 46.19 42.40 3iiy s LEU 96 CO 0.38 -0.96 0.94 -0.26 0.23 0.00 0.00 176.35 176.69 3iiy h PHE 97 N 8.87 0.00 -3.40 0.29 0.04 -0.94 -3.38 116.94 118.42 3iiy h PHE 97 Ca -0.24 0.00 -0.14 0.00 2.80 0.00 0.00 57.97 60.39 3iiy h PHE 97 Cb 1.08 0.00 -0.21 0.00 2.20 0.00 0.00 35.95 39.02 3iiy h PHE 97 CO 0.85 0.28 -0.45 0.20 -0.60 0.00 0.00 178.31 178.58 3iiy s GLY 98 N -4.57 -0.01 -0.02 -1.45 0.00 -1.11 -4.52 107.32 95.65 3iiy s GLY 98 Ca -0.02 0.02 0.00 0.00 0.00 0.00 0.00 44.72 44.72 3iiy s GLY 98 CO 0.80 -0.13 0.02 0.54 0.00 0.00 0.00 173.10 174.33 3iiy s VAL 99 N -1.23 -0.04 -0.05 1.40 0.11 -1.26 -0.82 120.40 118.52 3iiy s VAL 99 Ca -0.13 0.18 0.01 0.00 -2.93 0.00 0.00 61.98 59.11 3iiy s VAL 99 Cb -0.07 -0.08 0.02 0.00 -1.53 0.00 0.00 36.38 34.73 3iiy s VAL 99 CO 0.02 0.08 -0.04 -1.10 -3.33 0.00 0.00 175.10 170.73 3iiy s GLN 100 N 0.91 0.81 0.46 1.54 -1.52 0.55 -4.58 119.66 117.84 3iiy s GLN 100 Ca -0.08 -0.08 -0.21 0.00 -1.95 0.00 0.00 55.36 53.04 3iiy s GLN 100 Cb -0.11 -0.86 -0.08 0.00 -0.22 0.00 0.00 33.01 31.73 3iiy s GLN 100 CO -0.02 -0.11 1.05 -0.06 -0.25 0.00 0.00 175.29 175.90 3iiy s PHE 101 N 1.04 3.05 -0.50 0.91 0.08 -1.26 0.45 117.98 121.75 3iiy s PHE 101 Ca -0.09 1.59 -0.25 0.00 0.12 0.00 0.00 56.93 58.30 3iiy s PHE 101 Cb -0.14 -3.12 0.03 0.00 -0.57 0.00 0.00 43.02 39.23 3iiy s PHE 101 CO -0.01 -0.85 0.97 1.21 -0.10 0.00 0.00 175.22 176.44 3iiy s ASN 102 N -1.81 6.45 0.00 1.36 2.47 -0.10 -4.86 114.94 118.46 3iiy s ASN 102 Ca 0.65 -0.02 0.28 0.00 0.42 0.00 0.00 52.86 54.19 3iiy s ASN 102 Cb -0.19 -2.46 1.13 0.00 -1.45 0.00 0.00 41.25 38.28 3iiy s ASN 102 CO 0.23 -1.16 1.79 0.79 -3.72 0.00 0.00 177.10 175.03 3iiy n TRP 103 N 7.42 0.00 -0.73 0.43 8.01 -1.26 -3.67 117.44 127.64 3iiy n TRP 103 Ca 0.05 0.00 0.09 0.00 -1.31 0.00 0.00 57.50 56.33 3iiy n TRP 103 Cb 0.48 -0.09 0.38 0.00 -2.01 0.00 0.00 31.31 30.08 3iiy n TRP 103 CO 0.00 0.00 0.00 0.72 -1.01 0.00 0.00 177.69 177.40 3iiy n HIS 104 N -0.53 1.73 -2.69 -5.99 8.25 -1.26 -4.98 115.22 109.75 3iiy n HIS 104 Ca 0.16 -0.65 -0.41 0.00 -0.26 0.00 0.00 57.72 56.56 3iiy n HIS 104 Cb 0.30 -0.34 -0.04 0.00 1.12 0.00 0.00 29.99 31.03 3iiy n HIS 104 CO 0.00 0.00 0.00 -1.54 0.64 0.00 0.00 176.34 175.44 3iiy s SER 105 N -0.86 7.44 0.73 0.41 1.04 -1.24 -4.85 113.70 116.37 3iiy s SER 105 Ca 0.53 1.84 -0.16 0.00 0.48 0.00 0.00 55.95 58.64 3iiy s SER 105 Cb 0.36 -2.59 0.01 0.00 0.10 0.00 0.00 66.02 63.91 3iiy s SER 105 CO 0.22 -0.11 0.99 0.29 0.98 0.00 0.00 173.24 175.60 3iiy n LYS 106 N 2.83 0.49 -1.67 4.02 5.02 -1.26 -4.91 118.16 122.68 3iiy n LYS 106 Ca 0.03 0.23 -0.48 0.00 -2.02 0.00 0.00 58.31 56.07 3iiy n LYS 106 Cb 0.49 -2.24 -0.05 0.00 -0.02 0.00 0.00 35.03 33.21 3iiy n LYS 106 CO 0.00 0.00 0.00 -1.91 -0.52 0.00 0.00 177.40 174.97 3iiy n GLU 107 N -1.95 2.03 0.00 1.97 2.13 -1.26 -2.22 120.64 121.33 3iiy n GLU 107 Ca 0.13 0.74 0.00 0.00 0.66 0.00 0.00 57.16 58.69 3iiy n GLU 107 Cb 0.49 -2.51 0.00 0.00 0.27 0.00 0.00 31.44 29.69 3iiy n GLU 107 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 3iiy n GLY 108 N 3.67 1.70 3.80 8.31 0.00 -1.26 -5.04 105.19 116.36 3iiy n GLY 108 Ca 0.19 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.86 3iiy n GLY 108 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 3iiy s ASP 109 N -2.62 7.14 0.90 1.61 1.01 -0.94 -5.04 116.67 118.72 3iiy s ASP 109 Ca 0.00 1.77 -0.11 0.00 0.71 0.00 0.00 52.55 54.91 3iiy s ASP 109 Cb 0.00 -2.56 0.13 0.00 1.01 0.00 0.00 42.92 41.50 3iiy s ASP 109 CO 0.00 -0.22 1.09 -2.84 0.21 0.00 0.00 175.17 173.42 3iiy s PRO 110 N -2.62 1.20 -0.13 8.23 0.02 -1.26 -4.91 135.00 135.53 3iiy s PRO 110 Ca 0.56 1.04 -0.29 0.00 0.02 0.00 0.00 61.00 62.33 3iiy s PRO 110 Cb -0.14 -1.78 -0.02 0.00 0.02 0.00 0.00 34.50 32.58 3iiy s PRO 110 CO 0.18 -2.35 1.19 -0.51 -0.33 0.00 0.00 177.00 175.19 3iiy s LEU 111 N -6.34 4.21 -0.09 -5.54 1.43 -1.26 -4.90 118.68 106.19 3iiy s LEU 111 Ca 0.64 1.69 0.02 0.00 -1.03 0.00 0.00 54.13 55.45 3iiy s LEU 111 Cb -0.19 -3.55 -0.02 0.00 0.03 0.00 0.00 46.19 42.46 3iiy s LEU 111 CO 0.58 -0.66 -0.15 -0.69 0.23 0.00 0.00 176.35 175.66 3iiy s VAL 112 N 2.85 2.95 0.16 -1.59 1.01 -1.26 -0.78 120.40 123.74 3iiy s VAL 112 Ca 0.53 -0.73 0.08 0.00 0.00 0.00 0.00 61.98 61.87 3iiy s VAL 112 Cb -0.22 -2.19 -0.04 0.00 0.00 0.00 0.00 36.38 33.93 3iiy s VAL 112 CO 0.17 0.55 -0.18 0.72 0.00 0.00 0.00 175.10 176.36 3iiy s PHE 113 N -0.08 1.76 -0.05 5.22 -0.12 -0.90 -0.92 117.98 122.90 3iiy s PHE 113 Ca -0.03 -0.48 0.04 0.00 -0.05 0.00 0.00 56.93 56.42 3iiy s PHE 113 Cb -0.14 -0.89 -0.02 0.00 -0.63 0.00 0.00 43.02 41.34 3iiy s PHE 113 CO 0.04 0.30 -0.17 0.00 -0.05 0.00 0.00 175.22 175.34 3iiy s ALA 114 N -2.04 2.55 0.06 1.99 0.00 0.17 -1.38 121.76 123.10 3iiy s ALA 114 Ca 0.15 -1.01 0.04 0.00 0.00 0.00 0.00 51.96 51.14 3iiy s ALA 114 Cb -0.06 -0.89 -0.04 0.00 0.00 0.00 0.00 23.12 22.14 3iiy s ALA 114 CO 0.06 0.53 -0.05 0.95 0.00 0.00 0.00 175.76 177.26 3iiy s THR 115 N -0.64 3.76 -0.05 0.00 -4.23 -0.40 -0.33 115.64 113.74 3iiy s THR 115 Ca 0.10 -0.94 0.05 0.00 -1.18 0.00 0.00 61.69 59.71 3iiy s THR 115 Cb -0.11 -2.72 -0.01 0.00 1.34 0.00 0.00 72.50 71.01 3iiy s THR 115 CO 0.01 0.24 -0.20 0.68 -0.54 0.00 0.00 174.62 174.80 3iiy s VAL 116 N -1.16 1.65 -0.18 2.29 -7.23 0.00 -1.50 120.40 114.27 3iiy s VAL 116 Ca 0.21 -0.84 -0.33 0.00 -1.81 0.00 0.00 61.98 59.21 3iiy s VAL 116 Cb -0.11 -1.41 0.14 0.00 0.56 0.00 0.00 36.38 35.56 3iiy s VAL 116 CO 0.13 0.47 1.17 -0.83 -0.31 0.00 0.00 175.10 175.73 3iiy s GLY 117 N -0.06 -0.26 0.00 2.32 0.00 -1.09 -0.31 107.32 107.92 3iiy s GLY 117 Ca -0.03 1.76 0.00 0.00 0.00 0.00 0.00 44.72 46.45 3iiy s GLY 117 CO 0.03 0.65 0.00 -1.26 0.00 0.00 0.00 173.10 172.51 3iiy n SER 118 N 0.07 0.00 -2.22 1.64 2.88 -1.24 -2.25 113.62 112.50 3iiy n SER 118 Ca -0.02 0.00 -0.26 0.00 -1.33 0.00 0.00 58.87 57.27 3iiy n SER 118 Cb 0.59 0.00 0.16 0.00 -0.75 0.00 0.00 64.21 64.21 3iiy n SER 118 CO 0.00 0.00 0.00 -0.46 -1.23 0.00 0.00 175.04 173.35 3iiy n ASN 119 N -1.10 4.49 -4.18 -3.46 6.94 -1.23 -0.53 115.26 116.19 3iiy n ASN 119 Ca 0.00 -3.65 -0.11 0.00 -0.02 0.00 0.00 54.58 50.80 3iiy n ASN 119 Cb 0.00 -0.86 -0.10 0.00 -2.36 0.00 0.00 39.78 36.46 3iiy n ASN 119 CO 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 177.26 176.23 3iiy s ARG 120 N -3.40 0.95 -0.02 -3.83 1.70 -0.95 -0.95 118.95 112.44 3iiy s ARG 120 Ca 0.58 -1.44 0.05 0.00 -0.47 0.00 0.00 55.73 54.45 3iiy s ARG 120 Cb 0.48 0.04 -0.01 0.00 -0.57 0.00 0.00 34.95 34.90 3iiy s ARG 120 CO 0.08 -0.19 -0.18 0.54 -1.08 0.00 0.00 175.30 174.48 3iiy s VAL 121 N -3.88 1.43 -0.00 4.99 0.11 -0.59 -2.68 120.40 119.77 3iiy s VAL 121 Ca 0.22 -0.76 0.04 0.00 -2.93 0.00 0.00 61.98 58.55 3iiy s VAL 121 Cb 0.07 -1.20 -0.01 0.00 -1.53 0.00 0.00 36.38 33.71 3iiy s VAL 121 CO 0.01 0.41 -0.14 -0.89 -3.33 0.00 0.00 175.10 171.16 3iiy s THR 122 N -0.30 1.10 -0.11 5.04 2.01 -0.56 -0.88 115.64 121.93 3iiy s THR 122 Ca 0.04 -0.64 -0.03 0.00 0.31 0.00 0.00 61.69 61.37 3iiy s THR 122 Cb -0.08 -0.93 -0.03 0.00 0.01 0.00 0.00 72.50 71.47 3iiy s THR 122 CO 0.00 0.27 0.01 -0.76 -0.69 0.00 0.00 174.62 173.45 3iiy s LEU 123 N -0.43 3.57 0.17 4.42 1.02 -1.02 -1.28 118.68 125.14 3iiy s LEU 123 Ca 0.05 0.10 0.08 0.00 0.02 0.00 0.00 54.13 54.38 3iiy s LEU 123 Cb -0.06 -1.83 -0.04 0.00 0.02 0.00 0.00 46.19 44.28 3iiy s LEU 123 CO -0.00 0.32 -0.17 -0.31 0.02 0.00 0.00 176.35 176.21 3iiy s TYR 124 N -0.54 1.77 -0.07 0.29 2.02 -0.48 -1.82 117.35 118.52 3iiy s TYR 124 Ca 0.09 -0.49 0.03 0.00 -0.37 0.00 0.00 57.07 56.33 3iiy s TYR 124 Cb -0.12 -0.87 -0.02 0.00 -0.40 0.00 0.00 41.96 40.55 3iiy s TYR 124 CO 0.02 0.33 -0.16 -2.00 -1.57 0.00 0.00 175.55 172.17 3iiy s GLU 125 N -2.97 2.67 -0.07 -0.62 2.12 0.04 -2.11 118.70 117.76 3iiy s GLU 125 Ca 0.17 -0.74 -0.16 0.00 0.36 0.00 0.00 54.97 54.60 3iiy s GLU 125 Cb -0.05 -2.38 -0.05 0.00 0.26 0.00 0.00 34.13 31.91 3iiy s GLU 125 CO 0.07 0.50 0.42 0.00 -0.54 0.00 0.00 175.26 175.71 3iiy s HIS 127 N -0.11 1.72 1.01 0.00 3.76 -0.28 -4.28 115.29 117.12 3iiy s HIS 127 Ca 0.24 -1.20 -0.11 0.00 -0.15 0.00 0.00 55.06 53.83 3iiy s HIS 127 Cb -0.16 -1.05 0.20 0.00 1.11 0.00 0.00 32.58 32.69 3iiy s HIS 127 CO 0.11 -0.29 1.09 -1.54 -0.85 0.00 0.00 174.74 173.26 3iiy s SER 128 N -3.45 2.17 -1.96 1.40 1.04 -1.26 -2.87 113.70 108.78 3iiy s SER 128 Ca 0.33 1.87 0.00 0.00 0.48 0.00 0.00 55.95 58.63 3iiy s SER 128 Cb 0.06 -2.44 0.00 0.00 0.10 0.00 0.00 66.02 63.74 3iiy s SER 128 CO 0.15 -3.52 0.00 0.00 0.98 0.00 0.00 173.24 170.86 3iiy n GLN 129 N -4.49 -1.56 -1.09 4.02 3.00 -1.26 -2.70 117.38 113.31 3iiy n GLN 129 Ca 0.08 1.10 -0.03 0.00 -0.01 0.00 0.00 57.00 58.14 3iiy n GLN 129 Cb 0.53 -5.63 -0.01 0.00 0.00 0.00 0.00 30.24 25.13 3iiy n GLN 129 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.06 177.47 3iiy n GLY 130 N -0.76 0.49 3.71 1.08 0.00 -1.20 -4.95 105.19 103.56 3iiy n GLY 130 Ca -0.23 -0.11 -0.42 0.00 0.00 0.00 0.00 46.02 45.26 3iiy n GLY 130 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 3iiy s GLU 131 N -1.65 4.22 -0.40 1.61 2.12 -1.10 -4.52 118.70 118.98 3iiy s GLU 131 Ca 0.00 2.33 -0.04 0.00 0.36 0.00 0.00 54.97 57.62 3iiy s GLU 131 Cb 0.00 -3.24 0.10 0.00 0.26 0.00 0.00 34.13 31.25 3iiy s GLU 131 CO 0.00 -0.62 0.20 0.42 -0.54 0.00 0.00 175.26 174.72 3iiy s ILE 132 N 1.40 3.46 -0.24 -3.70 1.01 -1.26 -1.12 121.20 120.75 3iiy s ILE 132 Ca 0.70 -1.85 -0.25 0.00 0.00 0.00 0.00 60.65 59.25 3iiy s ILE 132 Cb -0.43 -3.28 -0.00 0.00 0.01 0.00 0.00 42.46 38.76 3iiy s ILE 132 CO 0.31 -0.60 0.86 -0.60 0.00 0.00 0.00 174.94 174.91 3iiy s ARG 133 N 1.21 4.20 0.11 2.79 3.52 0.53 -4.87 118.95 126.44 3iiy s ARG 133 Ca 0.06 1.00 -0.31 0.00 -0.13 0.00 0.00 55.73 56.35 3iiy s ARG 133 Cb -0.23 -3.64 -0.08 0.00 -1.56 0.00 0.00 34.95 29.44 3iiy s ARG 133 CO -0.03 -0.53 1.38 -1.17 -0.81 0.00 0.00 175.30 174.14 3iiy s LEU 134 N 2.87 4.37 0.00 -0.88 2.96 -1.26 -0.78 118.68 125.95 3iiy s LEU 134 Ca 0.36 2.30 0.00 0.00 -0.22 0.00 0.00 54.13 56.58 3iiy s LEU 134 Cb -0.15 -3.59 0.00 0.00 0.50 0.00 0.00 46.19 42.95 3iiy s LEU 134 CO 0.07 -0.64 0.00 0.18 -1.32 0.00 0.00 176.35 174.64 3iiy n LEU 135 N 3.96 0.00 -3.64 -0.68 4.77 -0.76 -4.95 117.00 115.69 3iiy n LEU 135 Ca 0.11 0.00 -0.15 0.00 -0.03 0.00 0.00 56.01 55.94 3iiy n LEU 135 Cb 0.43 0.00 -0.08 0.00 -2.33 0.00 0.00 43.42 41.44 3iiy n LEU 135 CO 0.58 0.00 0.28 -1.58 -1.33 0.00 0.00 177.39 175.34 3iiy s GLN 136 N 0.00 0.79 0.27 3.23 0.74 -1.25 -5.01 119.66 118.43 3iiy s GLN 136 Ca 0.00 0.46 0.09 0.00 0.05 0.00 0.00 55.36 55.96 3iiy s GLN 136 Cb 0.00 0.38 -0.04 0.00 1.10 0.00 0.00 33.01 34.45 3iiy s GLN 136 CO 0.00 -0.18 0.05 -1.12 -0.55 0.00 0.00 175.29 173.49 3iiy s SER 137 N -0.44 4.73 -0.23 6.67 0.01 -1.26 -2.43 113.70 120.75 3iiy s SER 137 Ca -0.06 -0.59 -0.05 0.00 1.31 0.00 0.00 55.95 56.56 3iiy s SER 137 Cb -0.03 -0.93 -0.01 0.00 0.21 0.00 0.00 66.02 65.25 3iiy s SER 137 CO 0.04 -0.03 -0.00 -0.47 0.41 0.00 0.00 173.24 173.19 3iiy s TYR 138 N -2.30 3.01 -0.20 2.43 5.04 -0.06 -4.93 117.35 120.34 3iiy s TYR 138 Ca 0.32 -0.78 -0.05 0.00 -2.44 0.00 0.00 57.07 54.13 3iiy s TYR 138 Cb -0.06 -2.15 -0.02 0.00 0.35 0.00 0.00 41.96 40.07 3iiy s TYR 138 CO 0.21 -0.49 -0.02 0.08 -1.34 0.00 0.00 175.55 173.99 3iiy s VAL 139 N 1.52 3.80 0.31 3.14 1.01 -1.26 -1.54 120.40 127.37 3iiy s VAL 139 Ca 0.06 -0.37 -0.29 0.00 0.00 0.00 0.00 61.98 61.38 3iiy s VAL 139 Cb -0.15 -2.71 -0.10 0.00 0.00 0.00 0.00 36.38 33.42 3iiy s VAL 139 CO -0.01 0.43 1.29 -0.62 0.00 0.00 0.00 175.10 176.20 3iiy s ASP 140 N 1.04 6.83 0.17 3.32 -1.08 -0.13 -4.94 116.67 121.88 3iiy s ASP 140 Ca 0.02 2.62 -0.19 0.00 -0.52 0.00 0.00 52.55 54.47 3iiy s ASP 140 Cb -0.14 -2.64 0.09 0.00 -1.46 0.00 0.00 42.92 38.76 3iiy s ASP 140 CO 0.01 -0.50 1.63 0.00 0.52 0.00 0.00 175.17 176.83 3iiy h ALA 141 N 3.73 0.06 -2.19 3.66 0.00 -1.98 -3.38 119.26 119.16 3iiy h ALA 141 Ca -0.48 0.13 -0.56 0.00 0.00 0.00 0.00 54.91 54.00 3iiy h ALA 141 Cb 1.22 0.47 -0.02 0.00 0.00 0.00 0.00 17.79 19.47 3iiy h ALA 141 CO 0.68 -0.58 1.08 0.34 0.00 0.00 0.00 179.25 180.77 3iiy s ASP 142 N -5.12 6.62 0.29 0.00 -1.08 -1.26 -4.88 116.67 111.23 3iiy s ASP 142 Ca -0.14 2.00 0.24 0.00 -0.52 0.00 0.00 52.55 54.13 3iiy s ASP 142 Cb 0.14 -2.53 1.03 0.00 -1.46 0.00 0.00 42.92 40.10 3iiy s ASP 142 CO 0.70 -1.00 1.73 0.00 0.52 0.00 0.00 175.17 177.11 3iiy h ALA 143 N 9.73 1.00 0.00 3.66 0.00 -1.98 -2.89 119.26 128.78 3iiy h ALA 143 Ca -0.36 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.55 3iiy h ALA 143 Cb 1.16 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.95 3iiy h ALA 143 CO 0.97 0.00 -0.36 -0.25 0.00 0.00 0.00 179.25 179.61 3iiy n ASP 144 N -2.30 0.40 -4.75 0.00 8.00 -1.26 -4.87 116.55 111.78 3iiy n ASP 144 Ca 0.02 0.03 -0.41 0.00 0.71 0.00 0.00 54.79 55.14 3iiy n ASP 144 Cb 0.21 -0.00 -0.02 0.00 -0.02 0.00 0.00 41.12 41.29 3iiy n ASP 144 CO 0.00 0.00 0.00 -0.70 -0.39 0.00 0.00 177.20 176.11 3iiy s GLU 145 N -3.03 4.23 -0.21 -1.24 2.56 -1.09 -4.87 118.70 115.05 3iiy s GLU 145 Ca 0.11 2.37 0.00 0.00 0.00 0.00 0.00 54.97 57.45 3iiy s GLU 145 Cb 0.17 -3.09 0.05 0.00 2.00 0.00 0.00 34.13 33.27 3iiy s GLU 145 CO 0.65 -0.48 -0.05 1.21 -0.56 0.00 0.00 175.26 176.04 3iiy s ASN 146 N 0.42 3.51 0.06 -1.70 3.84 -1.26 -3.48 114.94 116.33 3iiy s ASN 146 Ca 0.61 -1.01 -0.30 0.00 0.21 0.00 0.00 52.86 52.37 3iiy s ASN 146 Cb -0.43 -1.08 -0.05 0.00 -0.55 0.00 0.00 41.25 39.14 3iiy s ASN 146 CO 0.44 -0.22 1.09 -0.36 -2.79 0.00 0.00 177.10 175.26 3iiy s PHE 147 N 1.49 3.56 -0.13 0.43 0.08 0.31 -1.54 117.98 122.18 3iiy s PHE 147 Ca -0.04 1.51 0.09 0.00 0.12 0.00 0.00 56.93 58.61 3iiy s PHE 147 Cb -0.18 -3.27 -0.14 0.00 -0.57 0.00 0.00 43.02 38.86 3iiy s PHE 147 CO -0.07 -0.65 0.01 0.66 -0.10 0.00 0.00 175.22 175.06 3iiy n TYR 148 N 3.62 0.00 -3.84 0.36 4.01 -0.33 -3.95 117.16 117.03 3iiy n TYR 148 Ca 0.07 0.00 -0.12 0.00 -0.16 0.00 0.00 57.90 57.69 3iiy n TYR 148 Cb 0.48 -0.60 -0.09 0.00 -0.31 0.00 0.00 39.34 38.82 3iiy n TYR 148 CO 0.00 0.00 0.00 -0.08 -0.46 0.00 0.00 176.86 176.32 3iiy s THR 149 N -2.30 0.08 0.06 -0.72 -1.32 -0.87 -3.67 115.64 106.90 3iiy s THR 149 Ca -0.09 -0.65 -0.04 0.00 -1.21 0.00 0.00 61.69 59.70 3iiy s THR 149 Cb 0.04 -0.51 -0.02 0.00 -1.51 0.00 0.00 72.50 70.49 3iiy s THR 149 CO 0.47 -0.36 0.05 0.00 -2.21 0.00 0.00 174.62 172.57 3iiy s ALA 151 N -3.63 -0.65 -0.01 0.00 0.00 -0.10 -4.81 121.76 112.56 3iiy s ALA 151 Ca 0.04 0.50 -0.13 0.00 0.00 0.00 0.00 51.96 52.37 3iiy s ALA 151 Cb 0.05 -0.21 -0.05 0.00 0.00 0.00 0.00 23.12 22.91 3iiy s ALA 151 CO -0.09 -0.18 0.36 -1.58 0.00 0.00 0.00 175.76 174.27 3iiy s TRP 152 N -0.52 3.68 0.00 0.00 0.52 -1.26 -0.46 118.94 120.90 3iiy s TRP 152 Ca -0.06 0.88 0.00 0.00 0.02 0.00 0.00 56.10 56.94 3iiy s TRP 152 Cb -0.04 -2.21 0.00 0.00 -1.15 0.00 0.00 33.47 30.07 3iiy s TRP 152 CO 0.02 0.64 0.00 -2.37 0.02 0.00 0.00 176.95 175.26 3iiy n THR 153 N 1.69 0.00 -4.15 2.01 5.66 0.40 -4.83 114.28 115.06 3iiy n THR 153 Ca -0.14 0.00 -0.13 0.00 -3.05 0.00 0.00 64.05 60.73 3iiy n THR 153 Cb 0.53 0.00 -0.11 0.00 -1.55 0.00 0.00 70.33 69.20 3iiy n THR 153 CO 0.00 0.00 0.00 -0.72 -3.05 0.00 0.00 175.07 171.30 3iiy s TYR 154 N -2.51 0.91 0.20 1.09 1.13 -1.26 0.91 117.35 117.82 3iiy s TYR 154 Ca 0.00 -0.72 -0.32 0.00 -1.41 0.00 0.00 57.07 54.63 3iiy s TYR 154 Cb 0.00 -0.52 -0.11 0.00 -1.10 0.00 0.00 41.96 40.23 3iiy s TYR 154 CO 0.00 -0.07 1.64 0.34 -2.51 0.00 0.00 175.55 174.95 3iiy s ASP 155 N -2.48 6.47 0.21 -0.18 -1.08 0.12 -4.79 116.67 114.94 3iiy s ASP 155 Ca 0.04 2.76 0.26 0.00 -0.52 0.00 0.00 52.55 55.09 3iiy s ASP 155 Cb -0.01 -2.60 0.86 0.00 -1.46 0.00 0.00 42.92 39.71 3iiy s ASP 155 CO -0.02 -0.90 1.77 -1.54 0.52 0.00 0.00 175.17 175.00 3iiy n SER 156 N 3.79 0.75 -0.10 -0.34 3.41 -1.26 -4.10 113.62 115.77 3iiy n SER 156 Ca 0.14 0.59 -0.14 0.00 -0.26 0.00 0.00 58.87 59.21 3iiy n SER 156 Cb 0.37 -0.79 -0.05 0.00 -0.26 0.00 0.00 64.21 63.48 3iiy n SER 156 CO 0.00 0.00 0.00 0.59 -0.16 0.00 0.00 175.04 175.47 3iiy n ASN 157 N -2.23 1.90 -4.88 4.04 3.02 -1.26 -4.92 115.26 110.94 3iiy n ASN 157 Ca 0.05 0.41 -0.31 0.00 -0.03 0.00 0.00 54.58 54.70 3iiy n ASN 157 Cb 0.38 -0.81 -0.05 0.00 -0.61 0.00 0.00 39.78 38.69 3iiy n ASN 157 CO 0.00 0.00 0.00 0.42 -2.62 0.00 0.00 177.26 175.06 3iiy s THR 158 N -2.61 4.89 -1.83 3.41 -4.23 -1.26 -4.98 115.64 109.02 3iiy s THR 158 Ca -0.28 0.48 0.01 0.00 -1.18 0.00 0.00 61.69 60.72 3iiy s THR 158 Cb 0.06 -3.66 0.04 0.00 1.34 0.00 0.00 72.50 70.28 3iiy s THR 158 CO 0.41 -0.23 0.96 -1.54 -0.54 0.00 0.00 174.62 173.68 3iiy n SER 159 N -0.56 0.38 -4.74 3.99 3.41 -1.26 -4.18 113.62 110.65 3iiy n SER 159 Ca 0.01 -2.01 -0.41 0.00 -0.26 0.00 0.00 58.87 56.20 3iiy n SER 159 Cb 0.53 -0.10 -0.04 0.00 -0.26 0.00 0.00 64.21 64.33 3iiy n SER 159 CO 0.00 0.00 0.00 -1.00 -0.16 0.00 0.00 175.04 173.88 3iiy s HIS 160 N -1.81 3.67 0.64 7.33 3.76 -1.26 -4.69 115.29 122.93 3iiy s HIS 160 Ca 0.03 1.68 -0.18 0.00 -0.15 0.00 0.00 55.06 56.43 3iiy s HIS 160 Cb 0.02 -3.21 -0.01 0.00 1.11 0.00 0.00 32.58 30.48 3iiy s HIS 160 CO 0.02 -0.36 1.26 -2.14 -0.85 0.00 0.00 174.74 172.66 3iiy s PRO 161 N -0.54 2.64 0.07 8.40 0.02 -1.26 0.12 135.00 144.44 3iiy s PRO 161 Ca 0.47 1.97 0.05 0.00 0.02 0.00 0.00 61.00 63.52 3iiy s PRO 161 Cb -0.28 -1.87 -0.03 0.00 0.02 0.00 0.00 34.50 32.34 3iiy s PRO 161 CO 0.35 -1.50 -0.14 -0.51 -0.33 0.00 0.00 177.00 174.86 3iiy s LEU 162 N -4.34 2.26 -0.17 -5.54 1.43 0.26 -4.38 118.68 108.21 3iiy s LEU 162 Ca 0.80 -0.59 0.00 0.00 -1.03 0.00 0.00 54.13 53.31 3iiy s LEU 162 Cb -0.35 -0.51 0.03 0.00 0.03 0.00 0.00 46.19 45.39 3iiy s LEU 162 CO 0.38 -0.07 -0.11 -0.22 0.23 0.00 0.00 176.35 176.56 3iiy s LEU 163 N -1.66 1.84 -0.08 1.79 2.96 -0.73 -0.46 118.68 122.34 3iiy s LEU 163 Ca -0.02 -0.63 -0.15 0.00 -0.22 0.00 0.00 54.13 53.11 3iiy s LEU 163 Cb -0.10 -1.14 -0.05 0.00 0.50 0.00 0.00 46.19 45.40 3iiy s LEU 163 CO 0.02 -0.11 0.38 0.00 -1.32 0.00 0.00 176.35 175.33 3iiy s ALA 164 N 1.49 3.62 0.13 5.97 0.00 0.39 -0.17 121.76 133.18 3iiy s ALA 164 Ca 0.02 -0.30 0.07 0.00 0.00 0.00 0.00 51.96 51.76 3iiy s ALA 164 Cb -0.14 -2.44 -0.04 0.00 0.00 0.00 0.00 23.12 20.50 3iiy s ALA 164 CO -0.09 0.24 -0.17 0.14 0.00 0.00 0.00 175.76 175.88 3iiy s VAL 165 N -0.17 1.58 0.16 0.00 -7.23 0.13 -0.93 120.40 113.94 3iiy s VAL 165 Ca 0.22 -1.74 -0.24 0.00 -1.81 0.00 0.00 61.98 58.41 3iiy s VAL 165 Cb -0.15 -1.63 0.06 0.00 0.56 0.00 0.00 36.38 35.22 3iiy s VAL 165 CO 0.09 -0.30 0.75 0.00 -0.31 0.00 0.00 175.10 175.33 3iiy s ALA 166 N -1.88 -1.56 0.00 1.32 0.00 -0.90 -0.60 121.76 118.14 3iiy s ALA 166 Ca 0.10 0.33 0.00 0.00 0.00 0.00 0.00 51.96 52.40 3iiy s ALA 166 Cb -0.06 0.74 0.00 0.00 0.00 0.00 0.00 23.12 23.80 3iiy s ALA 166 CO 0.05 -0.87 0.00 0.41 0.00 0.00 0.00 175.76 175.35 3iiy n GLY 167 N -0.39 1.83 0.36 0.00 0.00 -1.26 -1.19 105.19 104.55 3iiy n GLY 167 Ca -0.10 -0.18 0.08 0.00 0.00 0.00 0.00 46.02 45.82 3iiy n GLY 167 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 3iiy h SER 168 N 0.00 0.74 0.62 1.61 4.64 -1.54 -0.70 113.55 118.92 3iiy h SER 168 Ca 0.00 0.02 0.00 0.00 -0.47 0.00 0.00 61.79 61.34 3iiy h SER 168 Cb 0.00 -0.13 0.00 0.00 -0.31 0.00 0.00 62.40 61.96 3iiy h SER 168 CO 0.00 0.43 0.00 0.54 -0.87 0.00 0.00 176.83 176.93 3iiy n ARG 169 N -4.53 0.14 -2.56 4.77 1.74 -1.26 -2.80 116.66 112.16 3iiy n ARG 169 Ca 0.15 0.39 -0.10 0.00 -0.77 0.00 0.00 57.85 57.51 3iiy n ARG 169 Cb 0.33 -1.77 0.01 0.00 -1.02 0.00 0.00 32.46 30.02 3iiy n ARG 169 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 3iiy n GLY 170 N -0.09 0.10 3.24 -0.13 0.00 -0.45 -3.95 105.19 103.90 3iiy n GLY 170 Ca 0.02 -0.37 -0.33 0.00 0.00 0.00 0.00 46.02 45.35 3iiy n GLY 170 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3iiy s ILE 171 N -2.79 2.39 -0.16 -0.61 1.01 -1.26 -3.75 121.20 116.03 3iiy s ILE 171 Ca 0.12 -0.88 -0.22 0.00 0.00 0.00 0.00 60.65 59.68 3iiy s ILE 171 Cb -0.05 -1.97 -0.03 0.00 0.01 0.00 0.00 42.46 40.42 3iiy s ILE 171 CO 0.15 0.54 0.65 -0.63 0.00 0.00 0.00 174.94 175.65 3iiy s ILE 172 N 0.62 5.03 -0.16 2.92 1.01 -0.10 -4.31 121.20 126.21 3iiy s ILE 172 Ca -0.10 1.26 -0.02 0.00 0.00 0.00 0.00 60.65 61.79 3iiy s ILE 172 Cb -0.16 -3.97 -0.02 0.00 0.01 0.00 0.00 42.46 38.32 3iiy s ILE 172 CO 0.03 0.16 -0.07 -0.13 0.00 0.00 0.00 174.94 174.92 3iiy s ARG 173 N 1.56 3.52 -0.28 2.79 0.52 0.23 -0.24 118.95 127.04 3iiy s ARG 173 Ca 0.31 -0.60 -0.13 0.00 -0.52 0.00 0.00 55.73 54.79 3iiy s ARG 173 Cb -0.16 -2.83 -0.04 0.00 0.52 0.00 0.00 34.95 32.44 3iiy s ARG 173 CO 0.12 0.16 0.29 0.42 0.02 0.00 0.00 175.30 176.31 3iiy s ILE 174 N 0.55 5.24 -0.11 1.52 -1.09 -0.15 -0.69 121.20 126.46 3iiy s ILE 174 Ca -0.05 0.36 0.01 0.00 -2.23 0.00 0.00 60.65 58.75 3iiy s ILE 174 Cb -0.15 -3.63 -0.01 0.00 -1.58 0.00 0.00 42.46 37.09 3iiy s ILE 174 CO 0.03 0.19 -0.15 -0.63 -1.23 0.00 0.00 174.94 173.15 3iiy s ILE 175 N 1.93 2.86 -0.34 2.92 1.01 0.75 -0.55 121.20 129.78 3iiy s ILE 175 Ca 0.11 -0.74 -0.29 0.00 0.00 0.00 0.00 60.65 59.73 3iiy s ILE 175 Cb -0.16 -2.17 -0.00 0.00 0.01 0.00 0.00 42.46 40.14 3iiy s ILE 175 CO 0.10 0.54 1.43 0.21 0.00 0.00 0.00 174.94 177.23 3iiy s ASN 176 N 0.18 6.43 0.09 3.58 3.84 0.17 -1.77 114.94 127.45 3iiy s ASN 176 Ca -0.09 1.11 0.23 0.00 0.21 0.00 0.00 52.86 54.32 3iiy s ASN 176 Cb -0.15 -2.54 0.91 0.00 -0.55 0.00 0.00 41.25 38.92 3iiy s ASN 176 CO 0.05 -1.31 1.71 -0.81 -2.79 0.00 0.00 177.10 173.96 3iiy n PRO 177 N 7.78 0.09 0.16 0.43 -0.04 -1.26 0.03 135.00 142.19 3iiy n PRO 177 Ca 0.17 0.20 -0.07 0.00 -0.04 0.00 0.00 63.50 63.76 3iiy n PRO 177 Cb 0.47 -1.63 -0.03 0.00 -0.04 0.00 0.00 33.50 32.26 3iiy n PRO 177 CO 0.00 0.00 0.00 0.82 -0.04 0.00 0.00 175.50 176.28 3iiy h ILE 178 N 0.00 0.00 0.00 0.52 2.04 -1.90 -3.36 117.51 114.81 3iiy h ILE 178 Ca 0.00 -0.51 0.00 0.00 1.00 0.00 0.00 64.86 65.35 3iiy h ILE 178 Cb 0.44 0.00 0.00 0.00 -0.74 0.00 0.00 36.82 36.52 3iiy h ILE 178 CO 0.00 0.00 -0.59 0.71 0.00 0.00 0.00 178.15 178.27 3iiy h THR 179 N -0.99 0.00 -0.95 -0.27 1.35 -1.99 -3.48 112.91 106.58 3iiy h THR 179 Ca -0.05 -0.59 -0.27 0.00 -0.55 0.00 0.00 66.41 64.95 3iiy h THR 179 Cb 0.37 1.22 -0.08 0.00 -1.73 0.00 0.00 68.15 67.93 3iiy h THR 179 CO 0.08 0.00 -0.27 0.23 -0.25 0.00 0.00 175.52 175.31 3iiy n MET 180 N -2.26 -0.95 -2.36 4.72 2.81 0.10 -5.01 117.12 114.17 3iiy n MET 180 Ca 0.03 0.88 -0.41 0.00 -1.81 0.00 0.00 57.70 56.40 3iiy n MET 180 Cb 0.46 -4.99 -0.04 0.00 -0.71 0.00 0.00 33.22 27.95 3iiy n MET 180 CO 0.00 0.00 0.00 -0.65 1.51 0.00 0.00 175.97 176.83 3iiy s GLN 181 N -3.51 4.54 -0.59 0.03 -0.21 -1.20 -4.73 119.66 114.00 3iiy s GLN 181 Ca 0.00 1.93 -0.28 0.00 0.02 0.00 0.00 55.36 57.03 3iiy s GLN 181 Cb 0.00 -3.16 0.03 0.00 1.00 0.00 0.00 33.01 30.88 3iiy s GLN 181 CO 0.00 0.06 1.17 0.00 -2.12 0.00 0.00 175.29 174.40 3iiy h ILE 183 N 6.13 1.29 -2.57 0.00 2.04 -1.18 -3.48 117.51 119.74 3iiy h ILE 183 Ca -0.25 -1.11 0.14 0.00 1.00 0.00 0.00 64.86 64.64 3iiy h ILE 183 Cb 1.06 1.48 -0.07 0.00 -0.74 0.00 0.00 36.82 38.55 3iiy h ILE 183 CO 1.18 0.35 0.39 -1.59 0.00 0.00 0.00 178.15 178.48 3iiy s LYS 184 N -4.72 1.39 0.01 2.37 -2.85 -1.22 -5.04 119.74 109.67 3iiy s LYS 184 Ca -0.13 -0.76 -0.13 0.00 -1.00 0.00 0.00 55.97 53.95 3iiy s LYS 184 Cb 0.08 0.48 0.02 0.00 -2.06 0.00 0.00 37.83 36.34 3iiy s LYS 184 CO 0.77 -0.63 0.28 -3.38 0.10 0.00 0.00 175.35 172.48 3iiy s HIS 185 N -3.50 -0.11 -0.02 1.78 -3.43 -1.26 -0.97 115.29 107.78 3iiy s HIS 185 Ca 0.11 0.07 0.08 0.00 -0.80 0.00 0.00 55.06 54.52 3iiy s HIS 185 Cb -0.03 0.06 -0.02 0.00 -1.43 0.00 0.00 32.58 31.17 3iiy s HIS 185 CO 0.03 -0.42 -0.26 0.71 -2.00 0.00 0.00 174.74 172.81 3iiy s TYR 186 N -1.85 2.34 -0.14 0.38 2.02 0.66 -4.95 117.35 115.81 3iiy s TYR 186 Ca -0.10 -0.44 0.02 0.00 -0.37 0.00 0.00 57.07 56.18 3iiy s TYR 186 Cb -0.04 -1.51 0.01 0.00 -0.40 0.00 0.00 41.96 40.03 3iiy s TYR 186 CO 0.01 -0.04 -0.21 0.54 -1.57 0.00 0.00 175.55 174.28 3iiy s VAL 187 N -0.60 2.00 0.00 0.71 0.11 -1.26 -0.92 120.40 120.44 3iiy s VAL 187 Ca 0.10 -0.94 0.00 0.00 -2.93 0.00 0.00 61.98 58.21 3iiy s VAL 187 Cb -0.10 -1.78 0.00 0.00 -1.53 0.00 0.00 36.38 32.97 3iiy s VAL 187 CO -0.01 0.54 0.00 0.61 -3.33 0.00 0.00 175.10 172.91 3iiy n GLY 188 N 4.19 1.04 0.51 6.54 0.00 -1.25 -4.88 105.19 111.35 3iiy n GLY 188 Ca -0.20 0.00 0.11 0.00 0.00 0.00 0.00 46.02 45.93 3iiy n GLY 188 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 3iiy n HIS 189 N 0.00 0.00 -1.38 1.61 8.25 -1.26 -5.00 115.22 117.44 3iiy n HIS 189 Ca 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.46 3iiy n HIS 189 Cb 0.00 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.11 3iiy n HIS 189 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 3iiy n GLY 190 N 1.39 0.96 3.36 -1.41 0.00 -1.26 -5.09 105.19 103.14 3iiy n GLY 190 Ca 0.09 -0.53 -0.28 0.00 0.00 0.00 0.00 46.02 45.31 3iiy n GLY 190 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 3iiy s ASN 191 N -2.64 3.11 0.05 1.61 -0.87 -1.25 -4.38 114.94 110.56 3iiy s ASN 191 Ca 0.00 -0.72 -0.38 0.00 -1.57 0.00 0.00 52.86 50.19 3iiy s ASN 191 Cb 0.00 -0.20 -0.19 0.00 -0.02 0.00 0.00 41.25 40.84 3iiy s ASN 191 CO 0.00 0.15 1.12 0.00 -2.57 0.00 0.00 177.10 175.80 3iiy n ALA 192 N 1.01 -2.65 -2.69 0.60 0.00 -1.12 -3.94 120.51 111.72 3iiy n ALA 192 Ca -0.18 0.56 -0.39 0.00 0.00 0.00 0.00 53.44 53.43 3iiy n ALA 192 Cb 0.53 -1.86 -0.06 0.00 0.00 0.00 0.00 19.45 18.06 3iiy n ALA 192 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.50 177.92 3iiy s ILE 193 N 0.06 5.15 -0.10 0.00 1.01 -0.40 0.34 121.20 127.25 3iiy s ILE 193 Ca 0.86 0.95 0.14 0.00 0.00 0.00 0.00 60.65 62.60 3iiy s ILE 193 Cb -1.13 -3.83 -0.24 0.00 0.01 0.00 0.00 42.46 37.27 3iiy s ILE 193 CO 0.54 0.25 0.43 0.59 0.00 0.00 0.00 174.94 176.75 3iiy n ASN 194 N 4.26 0.57 -3.72 3.58 3.02 0.41 -4.01 115.26 119.38 3iiy n ASN 194 Ca -0.06 0.26 -0.14 0.00 -0.03 0.00 0.00 54.58 54.61 3iiy n ASN 194 Cb 0.51 0.32 -0.08 0.00 -0.61 0.00 0.00 39.78 39.91 3iiy n ASN 194 CO 0.00 0.00 0.00 -0.70 -2.62 0.00 0.00 177.26 173.94 3iiy s GLU 195 N -2.56 0.72 0.04 3.52 2.56 -1.22 -4.69 118.70 117.07 3iiy s GLU 195 Ca -0.07 -0.06 0.05 0.00 0.00 0.00 0.00 54.97 54.90 3iiy s GLU 195 Cb 0.07 0.33 -0.02 0.00 2.00 0.00 0.00 34.13 36.51 3iiy s GLU 195 CO 0.82 -0.20 -0.16 -0.51 -0.56 0.00 0.00 175.26 174.66 3iiy s LEU 196 N -1.19 2.17 -0.08 2.70 1.43 -1.26 -1.93 118.68 120.51 3iiy s LEU 196 Ca -0.12 -0.47 -0.06 0.00 -1.03 0.00 0.00 54.13 52.45 3iiy s LEU 196 Cb -0.04 -0.69 0.03 0.00 0.03 0.00 0.00 46.19 45.52 3iiy s LEU 196 CO 0.05 0.06 0.21 -0.54 0.23 0.00 0.00 176.35 176.36 3iiy s LYS 197 N -1.13 0.21 -0.04 1.70 -0.14 -0.41 -4.73 119.74 115.21 3iiy s LYS 197 Ca 0.03 0.35 -0.09 0.00 -1.36 0.00 0.00 55.97 54.90 3iiy s LYS 197 Cb -0.08 0.02 -0.05 0.00 -1.68 0.00 0.00 37.83 36.04 3iiy s LYS 197 CO 0.01 -0.08 0.26 -0.06 -0.76 0.00 0.00 175.35 174.72 3iiy s PHE 198 N 0.51 3.62 0.20 3.18 0.08 -1.26 -0.26 117.98 124.06 3iiy s PHE 198 Ca -0.03 0.66 -0.32 0.00 0.12 0.00 0.00 56.93 57.36 3iiy s PHE 198 Cb -0.05 -2.05 -0.14 0.00 -0.57 0.00 0.00 43.02 40.21 3iiy s PHE 198 CO -0.03 0.67 1.38 1.58 -0.10 0.00 0.00 175.22 178.72 3iiy n HIS 199 N 1.60 1.97 0.33 0.36 -0.00 -0.33 -4.90 115.22 114.25 3iiy n HIS 199 Ca -0.15 0.47 0.15 0.00 -0.00 0.00 0.00 57.72 58.18 3iiy n HIS 199 Cb 0.53 -2.43 0.64 0.00 -0.00 0.00 0.00 29.99 28.73 3iiy n HIS 199 CO 0.00 0.00 0.00 -1.00 -0.00 0.00 0.00 176.34 175.34 3iiy h PRO 200 N 4.34 0.00 0.00 1.57 0.13 -1.88 -3.22 132.00 132.94 3iiy h PRO 200 Ca -0.45 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.68 3iiy h PRO 200 Cb 1.29 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.42 3iiy h PRO 200 CO 0.77 0.00 -0.19 0.54 -0.23 0.00 0.00 178.00 178.89 3iiy n ARG 201 N -2.63 4.51 -3.83 0.86 1.74 -1.26 -4.96 116.66 111.09 3iiy n ARG 201 Ca 0.01 0.00 -0.30 0.00 -0.77 0.00 0.00 57.85 56.79 3iiy n ARG 201 Cb 0.23 -0.52 -0.15 0.00 -1.02 0.00 0.00 32.46 31.00 3iiy n ARG 201 CO 0.00 0.00 0.00 0.34 -1.52 0.00 0.00 177.63 176.45 3iiy s ASP 202 N -0.98 3.93 0.24 0.55 -1.08 -1.21 -5.01 116.67 113.11 3iiy s ASP 202 Ca 0.00 -1.48 0.19 0.00 -0.52 0.00 0.00 52.55 50.74 3iiy s ASP 202 Cb 0.00 -1.01 0.94 0.00 -1.46 0.00 0.00 42.92 41.39 3iiy s ASP 202 CO 0.00 -0.35 1.58 -0.81 0.52 0.00 0.00 175.17 176.11 3iiy n PRO 203 N 4.75 0.13 0.11 4.34 -0.04 -1.26 -1.95 135.00 141.07 3iiy n PRO 203 Ca -0.05 0.54 0.08 0.00 -0.04 0.00 0.00 63.50 64.04 3iiy n PRO 203 Cb 0.43 -1.85 0.01 0.00 -0.04 0.00 0.00 33.50 32.05 3iiy n PRO 203 CO 0.00 0.00 0.00 -0.91 -0.04 0.00 0.00 175.50 174.55 3iiy h ASN 204 N 0.00 0.00 -3.26 3.54 2.35 -1.91 -3.42 115.58 112.88 3iiy h ASN 204 Ca 0.00 0.00 -0.62 0.00 -0.55 0.00 0.00 56.30 55.13 3iiy h ASN 204 Cb 0.11 0.00 -0.13 0.00 0.05 0.00 0.00 38.32 38.35 3iiy h ASN 204 CO 0.00 0.16 0.48 -0.76 -1.65 0.00 0.00 177.43 175.67 3iiy s LEU 205 N -5.64 4.22 -0.19 1.61 1.43 -0.82 -1.45 118.68 117.83 3iiy s LEU 205 Ca 0.00 -0.39 -0.07 0.00 -1.03 0.00 0.00 54.13 52.65 3iiy s LEU 205 Cb 0.09 -2.80 -0.03 0.00 0.03 0.00 0.00 46.19 43.47 3iiy s LEU 205 CO 0.78 -1.15 0.04 -0.22 0.23 0.00 0.00 176.35 176.03 3iiy s LEU 206 N 3.72 3.60 -0.14 1.79 2.96 -0.06 -1.19 118.68 129.36 3iiy s LEU 206 Ca 0.29 -0.04 -0.04 0.00 -0.22 0.00 0.00 54.13 54.12 3iiy s LEU 206 Cb -0.13 -1.92 -0.03 0.00 0.50 0.00 0.00 46.19 44.61 3iiy s LEU 206 CO 0.19 0.12 -0.01 -0.22 -1.32 0.00 0.00 176.35 175.10 3iiy s LEU 207 N 0.71 3.43 -0.03 -0.68 2.96 0.64 0.48 118.68 126.18 3iiy s LEU 207 Ca 0.02 -0.02 0.05 0.00 -0.22 0.00 0.00 54.13 53.96 3iiy s LEU 207 Cb -0.14 -1.82 -0.01 0.00 0.50 0.00 0.00 46.19 44.72 3iiy s LEU 207 CO 0.02 0.23 -0.19 -0.94 -1.32 0.00 0.00 176.35 174.14 3iiy s SER 208 N 0.03 2.33 -0.05 3.68 1.04 0.19 -1.28 113.70 119.64 3iiy s SER 208 Ca 0.02 -0.37 0.04 0.00 0.48 0.00 0.00 55.95 56.11 3iiy s SER 208 Cb -0.13 -0.44 -0.02 0.00 0.10 0.00 0.00 66.02 65.52 3iiy s SER 208 CO 0.02 0.21 -0.15 0.68 0.98 0.00 0.00 173.24 174.98 3iiy s VAL 209 N -0.25 2.99 0.20 5.02 -7.23 -0.81 -1.30 120.40 119.02 3iiy s VAL 209 Ca 0.02 -0.75 0.07 0.00 -1.81 0.00 0.00 61.98 59.51 3iiy s VAL 209 Cb -0.10 -2.17 -0.05 0.00 0.56 0.00 0.00 36.38 34.63 3iiy s VAL 209 CO 0.01 0.59 -0.11 -0.55 -0.31 0.00 0.00 175.10 174.72 3iiy s SER 210 N -0.65 2.36 0.39 4.85 0.15 -0.70 -0.44 113.70 119.66 3iiy s SER 210 Ca 0.10 -1.05 0.28 0.00 0.70 0.00 0.00 55.95 55.98 3iiy s SER 210 Cb -0.11 -0.10 1.24 0.00 -1.71 0.00 0.00 66.02 65.34 3iiy s SER 210 CO 0.01 -0.25 1.84 0.50 1.20 0.00 0.00 173.24 176.54 3iiy h LYS 211 N 2.57 0.00 -0.62 5.44 3.64 -0.34 -1.82 116.57 125.44 3iiy h LYS 211 Ca -0.38 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.00 3iiy h LYS 211 Cb 1.22 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 33.04 3iiy h LYS 211 CO 0.63 0.00 0.00 -0.40 -2.27 0.00 0.00 179.45 177.41 3iiy n ASP 212 N -2.58 2.70 0.00 4.20 5.68 -1.26 -4.31 116.55 120.99 3iiy n ASP 212 Ca 0.01 -2.26 0.00 0.00 -0.50 0.00 0.00 54.79 52.04 3iiy n ASP 212 Cb 0.22 -0.45 0.00 0.00 -1.14 0.00 0.00 41.12 39.75 3iiy n ASP 212 CO 0.00 0.00 0.00 1.41 -1.33 0.00 0.00 177.20 177.28 3iiy n HIS 213 N 0.39 0.00 -4.23 2.11 8.25 -1.16 -5.02 115.22 115.56 3iiy n HIS 213 Ca 0.13 0.00 -0.25 0.00 -0.26 0.00 0.00 57.72 57.33 3iiy n HIS 213 Cb 0.54 0.00 -0.07 0.00 1.12 0.00 0.00 29.99 31.57 3iiy n HIS 213 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 3iiy s ALA 214 N -3.06 3.19 -0.05 -1.41 0.00 -1.26 -4.06 121.76 115.11 3iiy s ALA 214 Ca 0.00 -1.47 0.01 0.00 0.00 0.00 0.00 51.96 50.51 3iiy s ALA 214 Cb 0.00 -0.93 -0.03 0.00 0.00 0.00 0.00 23.12 22.16 3iiy s ALA 214 CO 0.00 0.40 -0.07 -0.51 0.00 0.00 0.00 175.76 175.58 3iiy s LEU 215 N -3.21 3.17 0.04 0.00 1.02 -0.26 -1.72 118.68 117.72 3iiy s LEU 215 Ca 0.29 -0.04 0.07 0.00 0.02 0.00 0.00 54.13 54.46 3iiy s LEU 215 Cb -0.08 -1.72 -0.02 0.00 0.02 0.00 0.00 46.19 44.39 3iiy s LEU 215 CO 0.19 0.35 -0.20 -0.13 0.02 0.00 0.00 176.35 176.58 3iiy s ARG 216 N -0.93 1.35 -0.18 1.70 0.52 -0.42 0.51 118.95 121.51 3iiy s ARG 216 Ca 0.13 -0.90 -0.02 0.00 -0.52 0.00 0.00 55.73 54.42 3iiy s ARG 216 Cb -0.11 -1.44 -0.01 0.00 0.52 0.00 0.00 34.95 33.90 3iiy s ARG 216 CO 0.03 0.37 -0.08 -1.17 0.02 0.00 0.00 175.30 174.46 3iiy s LEU 217 N -1.13 2.82 0.08 2.53 2.96 -0.47 -0.64 118.68 124.84 3iiy s LEU 217 Ca 0.07 -0.36 0.08 0.00 -0.22 0.00 0.00 54.13 53.70 3iiy s LEU 217 Cb -0.09 -1.68 -0.04 0.00 0.50 0.00 0.00 46.19 44.89 3iiy s LEU 217 CO 0.02 0.07 -0.16 0.26 -1.32 0.00 0.00 176.35 175.21 3iiy s TRP 218 N 0.94 2.60 -0.43 5.38 0.52 0.18 0.20 118.94 128.33 3iiy s TRP 218 Ca -0.01 -0.23 -0.10 0.00 0.02 0.00 0.00 56.10 55.78 3iiy s TRP 218 Cb -0.15 -1.42 0.08 0.00 -1.15 0.00 0.00 33.47 30.83 3iiy s TRP 218 CO -0.00 0.34 0.29 1.21 0.02 0.00 0.00 176.95 178.81 3iiy s ASN 219 N -1.83 5.73 -0.09 2.95 3.84 0.85 -0.88 114.94 125.51 3iiy s ASN 219 Ca 0.17 -1.53 0.05 0.00 0.21 0.00 0.00 52.86 51.76 3iiy s ASN 219 Cb -0.11 -2.02 0.31 0.00 -0.55 0.00 0.00 41.25 38.88 3iiy s ASN 219 CO 0.09 -0.58 0.98 2.30 -2.79 0.00 0.00 177.10 177.09 3iiy n ILE 220 N 4.96 1.05 -0.10 -5.21 -5.35 -0.53 -0.59 119.36 113.60 3iiy n ILE 220 Ca -0.10 -0.53 -0.19 0.00 -0.27 0.00 0.00 62.75 61.66 3iiy n ILE 220 Cb 0.43 -0.42 -0.08 0.00 -1.74 0.00 0.00 39.64 37.83 3iiy n ILE 220 CO 0.00 0.00 0.00 1.67 -1.76 0.00 0.00 176.55 176.46 3iiy n GLN 221 N 0.24 0.45 -0.22 6.28 -0.06 -1.26 -4.56 117.38 118.25 3iiy n GLN 221 Ca 0.11 0.16 0.11 0.00 -2.00 0.00 0.00 57.00 55.37 3iiy n GLN 221 Cb 0.61 -1.29 0.22 0.00 -4.06 0.00 0.00 30.24 25.72 3iiy n GLN 221 CO 0.00 0.00 0.00 0.25 -0.20 0.00 0.00 177.06 177.11 3iiy n THR 222 N -3.57 0.66 -3.66 1.69 -2.24 -1.19 -4.99 114.28 100.96 3iiy n THR 222 Ca -0.38 -0.83 -0.28 0.00 -2.27 0.00 0.00 64.05 60.29 3iiy n THR 222 Cb 0.82 0.82 0.03 0.00 -2.10 0.00 0.00 70.33 69.90 3iiy n THR 222 CO 0.00 0.00 0.00 0.47 -0.57 0.00 0.00 175.07 174.97 3iiy n ASP 223 N 1.37 -5.45 -4.07 3.42 8.00 0.24 -4.96 116.55 115.10 3iiy n ASP 223 Ca 0.19 -0.92 -0.17 0.00 0.71 0.00 0.00 54.79 54.60 3iiy n ASP 223 Cb 0.57 -3.13 -0.13 0.00 -0.02 0.00 0.00 41.12 38.41 3iiy n ASP 223 CO 0.00 0.00 0.00 0.42 -0.39 0.00 0.00 177.20 177.23 3iiy s THR 224 N -3.32 0.76 -0.42 -3.53 -4.23 -0.69 -4.99 115.64 99.22 3iiy s THR 224 Ca 0.33 -0.82 -0.24 0.00 -1.18 0.00 0.00 61.69 59.78 3iiy s THR 224 Cb -0.13 -0.72 0.02 0.00 1.34 0.00 0.00 72.50 73.01 3iiy s THR 224 CO 0.87 -0.08 0.82 -0.22 -0.54 0.00 0.00 174.62 175.46 3iiy s LEU 225 N -1.00 4.15 -0.04 4.79 2.96 -1.26 -0.10 118.68 128.17 3iiy s LEU 225 Ca -0.02 0.12 -0.22 0.00 -0.22 0.00 0.00 54.13 53.80 3iiy s LEU 225 Cb -0.07 -3.04 -0.31 0.00 0.50 0.00 0.00 46.19 43.27 3iiy s LEU 225 CO 0.01 -0.87 0.91 0.58 -1.32 0.00 0.00 176.35 175.66 3iiy h VAL 226 N 5.91 1.50 -2.59 1.68 2.07 -0.59 -3.38 116.25 120.86 3iiy h VAL 226 Ca -0.25 -2.51 -0.05 0.00 0.82 0.00 0.00 66.70 64.72 3iiy h VAL 226 Cb 1.09 3.16 -0.16 0.00 -1.52 0.00 0.00 31.29 33.85 3iiy h VAL 226 CO 0.96 0.71 0.14 0.00 0.02 0.00 0.00 177.57 179.40 3iiy s ALA 227 N -2.50 -1.55 -0.17 1.67 0.00 -1.16 -1.14 121.76 116.91 3iiy s ALA 227 Ca -0.13 0.80 -0.01 0.00 0.00 0.00 0.00 51.96 52.62 3iiy s ALA 227 Cb 0.01 0.41 -0.01 0.00 0.00 0.00 0.00 23.12 23.53 3iiy s ALA 227 CO 0.83 -0.54 -0.12 0.42 0.00 0.00 0.00 175.76 176.36 3iiy s ILE 228 N -2.42 2.95 -0.45 0.00 1.01 0.15 -1.37 121.20 121.08 3iiy s ILE 228 Ca -0.05 -0.66 -0.10 0.00 0.00 0.00 0.00 60.65 59.83 3iiy s ILE 228 Cb -0.01 -2.28 0.10 0.00 0.01 0.00 0.00 42.46 40.28 3iiy s ILE 228 CO -0.01 0.49 0.31 -0.36 0.00 0.00 0.00 174.94 175.37 3iiy s PHE 229 N 0.91 3.36 0.00 3.97 0.08 0.18 -0.50 117.98 125.99 3iiy s PHE 229 Ca -0.03 -1.62 0.00 0.00 0.12 0.00 0.00 56.93 55.41 3iiy s PHE 229 Cb -0.15 -3.21 0.00 0.00 -0.57 0.00 0.00 43.02 39.09 3iiy s PHE 229 CO -0.01 -0.91 0.00 0.41 -0.10 0.00 0.00 175.22 174.62 3iiy n GLY 230 N 4.94 3.79 0.00 4.36 0.00 -0.60 -1.10 105.19 116.58 3iiy n GLY 230 Ca -0.09 -0.20 0.00 0.00 0.00 0.00 0.00 46.02 45.72 3iiy n GLY 230 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3iiy n GLY 231 N 0.00 -1.26 0.27 -0.02 0.00 -1.26 -2.89 105.19 100.02 3iiy n GLY 231 Ca 0.00 -1.59 -0.07 0.00 0.00 0.00 0.00 46.02 44.36 3iiy n GLY 231 CO 0.00 0.00 0.00 -2.08 0.00 0.00 0.00 173.32 171.24 3iiy h VAL 232 N 0.00 1.22 0.00 1.61 2.07 -1.92 -0.89 116.25 118.34 3iiy h VAL 232 Ca 0.00 -0.65 0.00 0.00 0.82 0.00 0.00 66.70 66.87 3iiy h VAL 232 Cb 0.00 0.50 0.00 0.00 -1.52 0.00 0.00 31.29 30.27 3iiy h VAL 232 CO 0.00 0.26 0.00 -0.62 0.02 0.00 0.00 177.57 177.23 3iiy n GLU 233 N -4.48 0.42 0.00 1.57 -0.58 -1.25 -4.77 120.64 111.54 3iiy n GLU 233 Ca 0.04 0.02 0.00 0.00 -0.42 0.00 0.00 57.16 56.80 3iiy n GLU 233 Cb 0.14 -1.50 0.00 0.00 -0.57 0.00 0.00 31.44 29.51 3iiy n GLU 233 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 3iiy n GLY 234 N 1.12 -1.89 3.77 0.62 0.00 -0.34 -4.55 105.19 103.92 3iiy n GLY 234 Ca 0.14 -1.48 -0.40 0.00 0.00 0.00 0.00 46.02 44.27 3iiy n GLY 234 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 3iiy s HIS 235 N -0.42 3.00 -1.41 1.61 3.76 -1.26 -4.94 115.29 115.64 3iiy s HIS 235 Ca 0.00 1.42 0.19 0.00 -0.15 0.00 0.00 55.06 56.53 3iiy s HIS 235 Cb 0.00 -3.66 0.67 0.00 1.11 0.00 0.00 32.58 30.70 3iiy s HIS 235 CO 0.00 -1.87 1.57 0.54 -0.85 0.00 0.00 174.74 174.13 3iiy n ARG 236 N 0.63 3.30 -3.86 1.40 1.74 -1.26 -4.83 116.66 113.77 3iiy n ARG 236 Ca 0.01 -2.76 -0.04 0.00 -0.77 0.00 0.00 57.85 54.29 3iiy n ARG 236 Cb 0.42 -1.74 0.01 0.00 -1.02 0.00 0.00 32.46 30.14 3iiy n ARG 236 CO 0.00 0.00 0.00 0.34 -1.52 0.00 0.00 177.63 176.45 3iiy s ASP 237 N -0.98 -0.02 0.17 0.55 -1.08 -1.26 -4.93 116.67 109.12 3iiy s ASP 237 Ca 0.49 -0.68 -0.33 0.00 -0.52 0.00 0.00 52.55 51.51 3iiy s ASP 237 Cb 0.29 0.53 -0.16 0.00 -1.46 0.00 0.00 42.92 42.12 3iiy s ASP 237 CO 0.27 -1.04 1.07 -0.62 0.52 0.00 0.00 175.17 175.38 3iiy n GLU 238 N -0.66 0.95 -3.13 4.34 1.02 -1.26 -4.39 120.64 117.52 3iiy n GLU 238 Ca -0.04 0.34 -0.39 0.00 -0.02 0.00 0.00 57.16 57.05 3iiy n GLU 238 Cb 0.60 -1.77 -0.05 0.00 -0.02 0.00 0.00 31.44 30.19 3iiy n GLU 238 CO 0.00 0.00 0.00 0.08 1.18 0.00 0.00 177.13 178.39 3iiy s VAL 239 N -0.33 5.08 -0.10 2.62 1.01 -0.69 -0.29 120.40 127.69 3iiy s VAL 239 Ca 0.73 1.27 0.13 0.00 0.00 0.00 0.00 61.98 64.11 3iiy s VAL 239 Cb -0.88 -3.97 -0.19 0.00 0.00 0.00 0.00 36.38 31.34 3iiy s VAL 239 CO 0.54 0.24 0.14 0.18 0.00 0.00 0.00 175.10 176.20 3iiy n LEU 240 N 4.03 0.00 -3.62 3.92 4.77 -0.45 -3.97 117.00 121.67 3iiy n LEU 240 Ca -0.03 0.00 -0.13 0.00 -0.03 0.00 0.00 56.01 55.83 3iiy n LEU 240 Cb 0.51 0.23 -0.06 0.00 -2.33 0.00 0.00 43.42 41.77 3iiy n LEU 240 CO 0.45 0.23 0.20 -0.55 -1.33 0.00 0.00 177.39 176.39 3iiy s SER 241 N -4.36 -0.34 0.13 -1.43 0.15 -1.18 -4.28 113.70 102.39 3iiy s SER 241 Ca -0.06 0.01 -0.24 0.00 0.70 0.00 0.00 55.95 56.35 3iiy s SER 241 Cb 0.06 0.46 0.07 0.00 -1.71 0.00 0.00 66.02 64.90 3iiy s SER 241 CO 0.58 -0.72 0.60 0.00 1.20 0.00 0.00 173.24 174.90 3iiy s ALA 242 N -2.72 -1.61 -0.15 5.45 0.00 -1.26 -1.64 121.76 119.83 3iiy s ALA 242 Ca -0.04 0.58 -0.11 0.00 0.00 0.00 0.00 51.96 52.39 3iiy s ALA 242 Cb -0.00 0.78 0.05 0.00 0.00 0.00 0.00 23.12 23.94 3iiy s ALA 242 CO -0.04 -0.72 0.37 0.34 0.00 0.00 0.00 175.76 175.71 3iiy s ASP 243 N -2.56 -0.42 0.33 0.00 2.15 -0.16 -4.87 116.67 111.14 3iiy s ASP 243 Ca -0.00 0.77 -0.27 0.00 0.43 0.00 0.00 52.55 53.48 3iiy s ASP 243 Cb -0.01 0.72 -0.09 0.00 -0.30 0.00 0.00 42.92 43.24 3iiy s ASP 243 CO -0.10 -0.16 1.03 -0.31 -0.17 0.00 0.00 175.17 175.47 3iiy s TYR 244 N 0.74 3.51 1.16 -5.34 2.02 -1.26 -1.25 117.35 116.93 3iiy s TYR 244 Ca -0.04 1.72 -0.17 0.00 -0.37 0.00 0.00 57.07 58.20 3iiy s TYR 244 Cb -0.06 -3.12 0.26 0.00 -0.40 0.00 0.00 41.96 38.65 3iiy s TYR 244 CO -0.05 -0.33 1.09 0.16 -1.57 0.00 0.00 175.55 174.84 3iiy s ASP 245 N -1.33 1.28 0.18 2.29 -4.77 -0.77 -4.65 116.67 108.89 3iiy s ASP 245 Ca 0.51 0.84 -0.16 0.00 -3.30 0.00 0.00 52.55 50.44 3iiy s ASP 245 Cb -0.25 -1.24 0.14 0.00 -1.09 0.00 0.00 42.92 40.48 3iiy s ASP 245 CO 0.31 -3.92 1.67 0.25 0.70 0.00 0.00 175.17 174.18 3iiy h LEU 246 N -2.44 -0.34 -1.21 2.11 5.85 -1.91 -1.01 115.31 116.36 3iiy h LEU 246 Ca -0.49 0.13 0.00 0.00 0.84 0.00 0.00 57.88 58.36 3iiy h LEU 246 Cb 1.31 0.25 0.00 0.00 0.37 0.00 0.00 40.66 42.59 3iiy h LEU 246 CO 0.42 -0.12 0.00 0.18 -0.34 0.00 0.00 178.44 178.58 3iiy n LEU 247 N -5.30 1.81 -2.83 2.25 4.77 -1.26 -4.78 117.00 111.66 3iiy n LEU 247 Ca 0.04 -0.78 -0.19 0.00 -0.03 0.00 0.00 56.01 55.04 3iiy n LEU 247 Cb 0.24 -0.13 0.05 0.00 -2.33 0.00 0.00 43.42 41.25 3iiy n LEU 247 CO 0.14 0.39 0.12 0.61 -1.33 0.00 0.00 177.39 177.33 3iiy n GLY 248 N 1.14 -0.28 0.07 -0.72 0.00 -0.38 -4.80 105.19 100.22 3iiy n GLY 248 Ca 0.16 0.04 -0.01 0.00 0.00 0.00 0.00 46.02 46.21 3iiy n GLY 248 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 3iiy n GLU 249 N -3.90 0.66 -3.91 1.61 1.02 -1.26 -4.87 120.64 109.99 3iiy n GLU 249 Ca -0.03 0.02 -0.09 0.00 -0.02 0.00 0.00 57.16 57.04 3iiy n GLU 249 Cb 0.57 -1.62 -0.09 0.00 -0.02 0.00 0.00 31.44 30.28 3iiy n GLU 249 CO 0.00 0.00 0.00 -1.59 1.18 0.00 0.00 177.13 176.72 3iiy s LYS 250 N -2.92 0.67 -0.01 3.49 -2.85 -1.26 0.19 119.74 117.04 3iiy s LYS 250 Ca -0.07 -0.80 0.06 0.00 -1.00 0.00 0.00 55.97 54.16 3iiy s LYS 250 Cb 0.09 0.27 -0.03 0.00 -2.06 0.00 0.00 37.83 36.10 3iiy s LYS 250 CO 0.84 -0.18 -0.19 0.42 0.10 0.00 0.00 175.35 176.34 3iiy s ILE 251 N -2.94 2.64 -0.16 3.79 1.01 0.20 -1.85 121.20 123.90 3iiy s ILE 251 Ca -0.02 -1.00 0.00 0.00 0.00 0.00 0.00 60.65 59.64 3iiy s ILE 251 Cb 0.01 -2.02 0.00 0.00 0.01 0.00 0.00 42.46 40.45 3iiy s ILE 251 CO -0.06 0.51 -0.16 -0.32 0.00 0.00 0.00 174.94 174.91 3iiy s MET 252 N -0.91 3.18 0.29 2.79 1.75 -0.38 -0.68 119.30 125.34 3iiy s MET 252 Ca 0.12 -0.76 0.10 0.00 -1.25 0.00 0.00 55.69 53.89 3iiy s MET 252 Cb -0.10 -2.61 -0.05 0.00 2.84 0.00 0.00 34.83 34.91 3iiy s MET 252 CO 0.01 -0.01 -0.01 -1.54 -0.65 0.00 0.00 175.02 172.83 3iiy s SER 253 N 0.87 4.36 0.17 1.11 1.04 0.25 -0.99 113.70 120.50 3iiy s SER 253 Ca -0.05 -0.79 -0.13 0.00 0.48 0.00 0.00 55.95 55.47 3iiy s SER 253 Cb -0.15 -0.69 0.01 0.00 0.10 0.00 0.00 66.02 65.28 3iiy s SER 253 CO -0.01 -0.08 0.38 0.00 0.98 0.00 0.00 173.24 174.51 3iiy n GLY 255 N -0.26 1.14 0.08 0.00 0.00 -1.11 -1.34 105.19 103.69 3iiy n GLY 255 Ca -0.09 -0.57 0.10 0.00 0.00 0.00 0.00 46.02 45.46 3iiy n GLY 255 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 173.32 174.35 3iiy n MET 256 N 0.00 0.12 -0.21 1.61 2.81 0.60 -1.96 117.12 120.09 3iiy n MET 256 Ca 0.00 0.34 0.03 0.00 -1.81 0.00 0.00 57.70 56.26 3iiy n MET 256 Cb 0.00 -1.73 0.12 0.00 -0.71 0.00 0.00 33.22 30.90 3iiy n MET 256 CO 0.00 0.00 0.00 -0.40 1.51 0.00 0.00 175.97 177.08 3iiy n ASP 257 N -1.95 1.92 0.00 7.83 5.75 -1.26 -4.63 116.55 124.21 3iiy n ASP 257 Ca 0.03 -2.15 0.00 0.00 -0.01 0.00 0.00 54.79 52.66 3iiy n ASP 257 Cb 0.22 -0.36 0.00 0.00 -1.03 0.00 0.00 41.12 39.95 3iiy n ASP 257 CO 0.00 0.00 0.00 1.41 -0.11 0.00 0.00 177.20 178.50 3iiy n HIS 258 N 0.21 0.00 -4.01 2.11 8.25 -0.90 -4.99 115.22 115.88 3iiy n HIS 258 Ca 0.09 0.00 -0.31 0.00 -0.26 0.00 0.00 57.72 57.23 3iiy n HIS 258 Cb 0.38 -1.04 -0.06 0.00 1.12 0.00 0.00 29.99 30.40 3iiy n HIS 258 CO 0.00 0.00 0.00 -1.54 0.64 0.00 0.00 176.34 175.44 3iiy s SER 259 N -2.26 5.86 -0.15 0.41 1.04 -1.26 -4.57 113.70 112.76 3iiy s SER 259 Ca 0.00 0.14 -0.04 0.00 0.48 0.00 0.00 55.95 56.53 3iiy s SER 259 Cb 0.00 -1.69 -0.03 0.00 0.10 0.00 0.00 66.02 64.40 3iiy s SER 259 CO 0.00 0.21 -0.04 -0.76 0.98 0.00 0.00 173.24 173.63 3iiy s LEU 260 N -2.21 3.24 0.00 2.42 1.02 -0.56 -2.92 118.68 119.67 3iiy s LEU 260 Ca 0.29 -0.13 0.05 0.00 0.02 0.00 0.00 54.13 54.36 3iiy s LEU 260 Cb -0.12 -1.78 -0.01 0.00 0.02 0.00 0.00 46.19 44.29 3iiy s LEU 260 CO 0.21 0.17 -0.15 -0.54 0.02 0.00 0.00 176.35 176.06 3iiy s LYS 261 N 0.35 1.19 -0.16 1.70 1.02 0.62 -2.07 119.74 122.39 3iiy s LYS 261 Ca -0.04 -0.61 -0.07 0.00 0.02 0.00 0.00 55.97 55.27 3iiy s LYS 261 Cb -0.14 -1.17 -0.04 0.00 -0.52 0.00 0.00 37.83 35.95 3iiy s LYS 261 CO 0.03 0.32 0.10 -1.17 -0.92 0.00 0.00 175.35 173.71 3iiy s LEU 262 N -0.54 4.09 -0.17 3.17 2.96 -0.30 -0.58 118.68 127.30 3iiy s LEU 262 Ca 0.05 0.25 -0.02 0.00 -0.22 0.00 0.00 54.13 54.20 3iiy s LEU 262 Cb -0.06 -2.02 0.05 0.00 0.50 0.00 0.00 46.19 44.66 3iiy s LEU 262 CO -0.00 0.27 0.00 0.26 -1.32 0.00 0.00 176.35 175.56 3iiy s TRP 263 N -0.20 1.23 0.25 5.38 0.52 0.14 -0.06 118.94 126.20 3iiy s TRP 263 Ca 0.09 -0.86 -0.30 0.00 0.02 0.00 0.00 56.10 55.06 3iiy s TRP 263 Cb -0.12 -1.10 -0.09 0.00 -1.15 0.00 0.00 33.47 31.02 3iiy s TRP 263 CO 0.01 -0.57 1.08 1.03 0.02 0.00 0.00 176.95 178.52 3iiy s ARG 264 N 1.79 4.65 -0.09 4.98 0.52 -1.26 -0.63 118.95 128.91 3iiy s ARG 264 Ca 0.00 1.74 0.13 0.00 -0.52 0.00 0.00 55.73 57.09 3iiy s ARG 264 Cb -0.16 -3.22 0.21 0.00 0.52 0.00 0.00 34.95 32.29 3iiy s ARG 264 CO -0.07 0.21 1.10 0.44 0.02 0.00 0.00 175.30 177.00 3iiy n ILE 265 N 1.56 1.61 -0.47 1.52 -5.35 0.13 -4.57 119.36 113.79 3iiy n ILE 265 Ca -0.00 -1.88 0.07 0.00 -0.27 0.00 0.00 62.75 60.68 3iiy n ILE 265 Cb 0.45 -0.02 0.23 0.00 -1.74 0.00 0.00 39.64 38.56 3iiy n ILE 265 CO 0.00 0.00 0.00 -0.46 -1.76 0.00 0.00 176.55 174.33 3iiy n ASN 266 N -1.15 3.57 -4.76 7.28 6.94 -0.93 -4.04 115.26 122.16 3iiy n ASN 266 Ca 0.11 -2.34 -0.36 0.00 -0.02 0.00 0.00 54.58 51.98 3iiy n ASN 266 Cb 0.54 -0.39 0.02 0.00 -2.36 0.00 0.00 39.78 37.58 3iiy n ASN 266 CO 0.00 0.00 0.00 -0.94 -1.03 0.00 0.00 177.26 175.29 3iiy s SER 267 N -1.22 5.58 0.16 0.53 1.04 -1.26 -4.78 113.70 113.75 3iiy s SER 267 Ca 0.35 2.35 -0.10 0.00 0.48 0.00 0.00 55.95 59.02 3iiy s SER 267 Cb 0.22 -2.60 0.19 0.00 0.10 0.00 0.00 66.02 63.93 3iiy s SER 267 CO 0.17 -1.33 1.04 1.17 0.98 0.00 0.00 173.24 175.27 3iiy n LYS 268 N -1.20 -0.14 0.21 4.02 3.00 -1.26 -0.98 118.16 121.82 3iiy n LYS 268 Ca 0.11 1.03 -0.15 0.00 -0.00 0.00 0.00 58.31 59.30 3iiy n LYS 268 Cb 0.49 -1.53 -0.07 0.00 0.00 0.00 0.00 35.03 33.91 3iiy n LYS 268 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 177.40 177.31 3iiy h ARG 269 N 0.00 -0.68 -0.30 1.64 2.43 -1.98 -1.85 114.38 113.64 3iiy h ARG 269 Ca 0.25 0.05 -0.15 0.00 -0.81 0.00 0.00 59.98 59.32 3iiy h ARG 269 Cb 0.42 0.15 -0.01 0.00 -0.42 0.00 0.00 29.97 30.11 3iiy h ARG 269 CO -0.67 -0.45 -0.40 0.52 -1.51 0.00 0.00 179.97 177.46 3iiy h MET 270 N -0.71 0.73 -0.57 0.20 2.86 -1.61 -0.07 114.93 115.76 3iiy h MET 270 Ca -0.02 -0.38 -0.04 0.00 -2.06 0.00 0.00 59.70 57.20 3iiy h MET 270 Cb 0.64 0.01 -0.03 0.00 0.06 0.00 0.00 31.60 32.28 3iiy h MET 270 CO -0.06 1.00 0.19 0.52 1.06 0.00 0.00 176.91 179.61 3iiy h MET 271 N 0.60 0.85 -0.30 1.72 2.86 -1.07 -1.18 114.93 118.41 3iiy h MET 271 Ca 0.05 -0.15 -0.06 0.00 -2.06 0.00 0.00 59.70 57.47 3iiy h MET 271 Cb 0.95 -0.14 -0.01 0.00 0.06 0.00 0.00 31.60 32.46 3iiy h MET 271 CO 0.09 0.73 -0.06 -0.97 1.06 0.00 0.00 176.91 177.76 3iiy h ASN 272 N 0.83 0.58 -0.99 1.22 -1.24 -1.06 -2.34 115.58 112.59 3iiy h ASN 272 Ca 0.19 -0.36 0.01 0.00 0.71 0.00 0.00 56.30 56.86 3iiy h ASN 272 Cb 0.23 -0.16 -0.05 0.00 0.73 0.00 0.00 38.32 39.07 3iiy h ASN 272 CO -0.01 0.80 0.65 0.00 -1.29 0.00 0.00 177.43 177.58 3iiy h ALA 273 N 0.80 1.25 -0.52 1.57 0.00 -0.75 -0.61 119.26 121.00 3iiy h ALA 273 Ca 0.08 -0.07 -0.12 0.00 0.00 0.00 0.00 54.91 54.80 3iiy h ALA 273 Cb 0.54 -0.40 -0.02 0.00 0.00 0.00 0.00 17.79 17.91 3iiy h ALA 273 CO 0.03 0.64 -0.14 0.82 0.00 0.00 0.00 179.25 180.59 3iiy h ILE 274 N 1.34 1.27 -0.60 0.00 2.04 -1.19 -1.41 117.51 118.95 3iiy h ILE 274 Ca 0.36 -1.30 -0.01 0.00 1.00 0.00 0.00 64.86 64.91 3iiy h ILE 274 Cb -0.15 1.03 -0.03 0.00 -0.74 0.00 0.00 36.82 36.93 3iiy h ILE 274 CO -0.08 0.46 0.34 0.50 0.00 0.00 0.00 178.15 179.37 3iiy h LYS 275 N 0.88 0.83 -0.58 2.37 3.64 -1.04 -2.62 116.57 120.05 3iiy h LYS 275 Ca 0.13 -0.09 -0.06 0.00 -1.27 0.00 0.00 60.65 59.36 3iiy h LYS 275 Cb 0.72 -0.17 -0.03 0.00 -0.41 0.00 0.00 32.23 32.35 3iiy h LYS 275 CO 0.05 0.62 0.12 0.93 -2.27 0.00 0.00 179.45 178.91 3iiy h GLU 276 N 0.81 0.92 -0.20 1.90 4.39 -0.87 -1.87 114.58 119.67 3iiy h GLU 276 Ca 0.21 -0.21 0.02 0.00 0.34 0.00 0.00 59.36 59.72 3iiy h GLU 276 Cb 0.03 -0.13 -0.01 0.00 -0.10 0.00 0.00 28.75 28.54 3iiy h GLU 276 CO -0.04 0.84 0.14 0.66 -1.16 0.00 0.00 179.01 179.45 3iiy h SER 277 N 0.88 0.17 0.56 1.42 4.64 -0.97 -1.60 113.55 118.64 3iiy h SER 277 Ca 0.19 -0.00 -0.18 0.00 -0.47 0.00 0.00 61.79 61.32 3iiy h SER 277 Cb 0.35 -0.04 -0.01 0.00 -0.31 0.00 0.00 62.40 62.38 3iiy h SER 277 CO 0.00 0.12 -0.79 1.88 -0.87 0.00 0.00 176.83 177.17 3iiy h TYR 278 N 0.20 0.24 0.00 4.77 -1.99 -1.00 -3.20 116.97 116.00 3iiy h TYR 278 Ca 0.08 -0.12 0.00 0.00 2.00 0.00 0.00 58.73 60.69 3iiy h TYR 278 Cb 0.08 -0.03 0.00 0.00 2.00 0.00 0.00 36.73 38.78 3iiy h TYR 278 CO -0.00 0.89 0.00 -0.25 -0.00 0.00 0.00 178.16 178.80 3iiy n ASP 279 N -3.71 0.47 -4.69 3.88 8.00 -0.67 -4.88 116.55 114.95 3iiy n ASP 279 Ca -0.03 0.56 -0.42 0.00 0.71 0.00 0.00 54.79 55.60 3iiy n ASP 279 Cb 0.75 -0.68 -0.03 0.00 -0.02 0.00 0.00 41.12 41.15 3iiy n ASP 279 CO 0.00 0.00 0.00 -0.47 -0.39 0.00 0.00 177.20 176.34 3iiy s TYR 280 N -3.09 3.50 -0.19 1.24 5.04 -0.79 -5.01 117.35 118.05 3iiy s TYR 280 Ca 0.11 1.58 -0.04 0.00 -2.44 0.00 0.00 57.07 56.27 3iiy s TYR 280 Cb 0.14 -3.20 0.06 0.00 0.35 0.00 0.00 41.96 39.31 3iiy s TYR 280 CO 0.52 -0.28 0.07 1.21 -1.34 0.00 0.00 175.55 175.74 3iiy s ASN 281 N 1.11 2.66 0.53 4.32 2.47 -1.26 -4.89 114.94 119.89 3iiy s ASN 281 Ca 0.49 -0.75 0.24 0.00 0.42 0.00 0.00 52.86 53.25 3iiy s ASN 281 Cb -0.19 -0.40 1.38 0.00 -1.45 0.00 0.00 41.25 40.59 3iiy s ASN 281 CO 0.18 -0.34 2.02 1.55 -3.72 0.00 0.00 177.10 176.80 3iiy h PRO 282 N 8.34 0.00 0.00 0.43 0.13 -1.92 -0.64 132.00 138.34 3iiy h PRO 282 Ca -0.16 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.97 3iiy h PRO 282 Cb 1.13 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.26 3iiy h PRO 282 CO 0.32 0.00 -0.14 0.09 -0.23 0.00 0.00 178.00 178.04 3iiy n ASN 283 N -4.40 0.69 -1.03 1.44 5.03 -1.26 -3.40 115.26 112.33 3iiy n ASN 283 Ca 0.07 0.45 0.10 0.00 0.87 0.00 0.00 54.58 56.07 3iiy n ASN 283 Cb 0.51 -0.53 0.21 0.00 -1.02 0.00 0.00 39.78 38.95 3iiy n ASN 283 CO 0.00 0.00 0.00 0.29 -1.83 0.00 0.00 177.26 175.72 3iiy n LYS 284 N -2.12 2.47 -3.99 3.52 4.76 -0.26 -5.02 118.16 117.52 3iiy n LYS 284 Ca 0.05 -2.24 -0.10 0.00 -2.87 0.00 0.00 58.31 53.15 3iiy n LYS 284 Cb 0.42 -1.45 -0.04 0.00 -1.84 0.00 0.00 35.03 32.12 3iiy n LYS 284 CO 0.00 0.00 0.00 -0.08 -1.37 0.00 0.00 177.40 175.95 3iiy s THR 285 N -1.19 0.00 -0.10 -0.18 -1.32 -1.17 -5.02 115.64 106.65 3iiy s THR 285 Ca 0.36 -1.40 0.12 0.00 -1.21 0.00 0.00 61.69 59.56 3iiy s THR 285 Cb 0.20 -2.34 -0.17 0.00 -1.51 0.00 0.00 72.50 68.68 3iiy s THR 285 CO 0.27 0.00 0.10 0.59 -2.21 0.00 0.00 174.62 173.37 3iiy n ASN 286 N -0.67 1.89 -4.77 8.08 4.13 -1.26 -4.87 115.26 117.80 3iiy n ASN 286 Ca -0.02 0.00 -0.37 0.00 1.68 0.00 0.00 54.58 55.87 3iiy n ASN 286 Cb 0.62 0.99 -0.01 0.00 -1.54 0.00 0.00 39.78 39.83 3iiy n ASN 286 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 3iiy s ARG 287 N -2.44 3.78 0.71 3.52 1.70 -1.26 -5.05 118.95 119.90 3iiy s ARG 287 Ca -0.06 1.73 -0.11 0.00 -0.47 0.00 0.00 55.73 56.82 3iiy s ARG 287 Cb 0.05 -2.39 0.01 0.00 -0.57 0.00 0.00 34.95 32.05 3iiy s ARG 287 CO 0.53 -0.53 1.06 -1.25 -1.08 0.00 0.00 175.30 174.04 3iiy s PRO 288 N -2.73 2.86 -0.15 3.89 0.04 -1.26 -4.95 135.00 132.71 3iiy s PRO 288 Ca 0.64 0.87 -0.29 0.00 0.04 0.00 0.00 61.00 62.25 3iiy s PRO 288 Cb -0.27 -1.99 -0.02 0.00 0.04 0.00 0.00 34.50 32.26 3iiy s PRO 288 CO 0.33 -1.13 1.27 0.12 0.04 0.00 0.00 177.00 177.63 3iiy s PHE 289 N -3.08 2.85 -0.17 0.56 5.36 -1.26 -5.00 117.98 117.24 3iiy s PHE 289 Ca 0.58 1.00 -0.26 0.00 -0.96 0.00 0.00 56.93 57.29 3iiy s PHE 289 Cb -0.14 -3.51 -0.01 0.00 -0.34 0.00 0.00 43.02 39.02 3iiy s PHE 289 CO 0.55 -1.74 0.85 0.42 -1.46 0.00 0.00 175.22 173.84 3iiy s ILE 290 N 3.38 4.86 0.53 3.12 1.09 -1.26 -4.93 121.20 128.00 3iiy s ILE 290 Ca 0.55 1.67 -0.04 0.00 -1.10 0.00 0.00 60.65 61.74 3iiy s ILE 290 Cb -0.22 -4.16 -0.00 0.00 -1.06 0.00 0.00 42.46 37.02 3iiy s ILE 290 CO 0.16 0.01 0.82 -0.94 -0.10 0.00 0.00 174.94 174.89 3iiy s SER 291 N 1.17 5.81 -0.00 3.58 1.04 -1.26 -4.99 113.70 119.04 3iiy s SER 291 Ca 0.39 0.66 -0.20 0.00 0.48 0.00 0.00 55.95 57.28 3iiy s SER 291 Cb -0.16 -1.79 -0.05 0.00 0.10 0.00 0.00 66.02 64.11 3iiy s SER 291 CO 0.12 -0.86 0.58 -1.10 0.98 0.00 0.00 173.24 172.95 3iiy s GLN 292 N -4.83 4.28 -0.46 4.02 -1.52 -0.29 -4.95 119.66 115.92 3iiy s GLN 292 Ca 0.51 0.70 -0.16 0.00 -1.95 0.00 0.00 55.36 54.46 3iiy s GLN 292 Cb -0.10 -3.33 0.06 0.00 -0.22 0.00 0.00 33.01 29.42 3iiy s GLN 292 CO 0.43 0.41 0.41 0.15 -0.25 0.00 0.00 175.29 176.43 3iiy s LYS 293 N -0.30 3.00 -0.40 2.91 3.01 -1.26 -0.67 119.74 126.03 3iiy s LYS 293 Ca 0.30 -1.20 -0.15 0.00 -1.01 0.00 0.00 55.97 53.92 3iiy s LYS 293 Cb -0.18 -4.09 0.01 0.00 -1.01 0.00 0.00 37.83 32.56 3iiy s LYS 293 CO 0.17 -0.98 0.29 0.42 0.51 0.00 0.00 175.35 175.76 3iiy s ILE 294 N 1.79 5.26 -1.72 2.17 -1.09 0.35 -4.94 121.20 123.02 3iiy s ILE 294 Ca 0.06 -0.56 0.14 0.00 -2.23 0.00 0.00 60.65 58.05 3iiy s ILE 294 Cb -0.22 -3.89 0.12 0.00 -1.58 0.00 0.00 42.46 36.88 3iiy s ILE 294 CO 0.08 -0.26 0.95 1.41 -1.23 0.00 0.00 174.94 175.90 3iiy n HIS 295 N 5.17 0.02 -3.72 3.97 8.25 -1.26 -1.56 115.22 126.09 3iiy n HIS 295 Ca -0.11 -0.02 -0.25 0.00 -0.26 0.00 0.00 57.72 57.08 3iiy n HIS 295 Cb 0.48 -0.00 -0.17 0.00 1.12 0.00 0.00 29.99 31.41 3iiy n HIS 295 CO 0.00 0.00 0.00 -0.06 0.64 0.00 0.00 176.34 176.92 3iiy s PHE 296 N -1.15 0.66 0.72 4.41 0.08 -1.26 -3.87 117.98 117.57 3iiy s PHE 296 Ca 0.17 -0.40 -0.13 0.00 0.12 0.00 0.00 56.93 56.68 3iiy s PHE 296 Cb 0.12 -0.84 0.03 0.00 -0.57 0.00 0.00 43.02 41.76 3iiy s PHE 296 CO 0.17 -0.45 1.13 -1.25 -0.10 0.00 0.00 175.22 174.72 3iiy s PRO 297 N 1.98 2.39 0.00 0.24 0.04 -1.26 -4.95 135.00 133.44 3iiy s PRO 297 Ca 0.02 1.42 0.28 0.00 0.04 0.00 0.00 61.00 62.76 3iiy s PRO 297 Cb -0.15 -1.90 1.05 0.00 0.04 0.00 0.00 34.50 33.54 3iiy s PRO 297 CO -0.07 -1.57 1.74 -0.25 0.04 0.00 0.00 177.00 176.89 3iiy n ASP 298 N -2.90 0.87 -3.56 6.66 8.00 0.92 -4.77 116.55 121.76 3iiy n ASP 298 Ca 0.11 -0.91 -0.10 0.00 0.71 0.00 0.00 54.79 54.60 3iiy n ASP 298 Cb 0.52 0.03 -0.04 0.00 -0.02 0.00 0.00 41.12 41.60 3iiy n ASP 298 CO 0.00 0.00 0.00 0.12 -0.39 0.00 0.00 177.20 176.93 3iiy s PHE 299 N -2.36 -0.36 -0.12 1.24 5.36 -1.24 -2.34 117.98 118.16 3iiy s PHE 299 Ca 0.30 0.52 -0.16 0.00 -0.96 0.00 0.00 56.93 56.63 3iiy s PHE 299 Cb 0.20 0.47 0.04 0.00 -0.34 0.00 0.00 43.02 43.39 3iiy s PHE 299 CO 0.46 -0.39 0.42 0.45 -1.46 0.00 0.00 175.22 174.70 3iiy s SER 300 N -1.48 -0.40 0.00 6.13 0.15 -1.26 -1.15 113.70 115.69 3iiy s SER 300 Ca 0.00 0.67 -0.09 0.00 0.70 0.00 0.00 55.95 57.23 3iiy s SER 300 Cb -0.01 0.72 0.01 0.00 -1.71 0.00 0.00 66.02 65.03 3iiy s SER 300 CO -0.01 -0.26 0.17 0.28 1.20 0.00 0.00 173.24 174.62 3iiy s THR 301 N -0.27 0.08 -0.07 6.45 -1.32 -0.88 -4.93 115.64 114.71 3iiy s THR 301 Ca -0.04 -0.67 0.10 0.00 -1.21 0.00 0.00 61.69 59.87 3iiy s THR 301 Cb -0.03 -0.49 0.15 0.00 -1.51 0.00 0.00 72.50 70.62 3iiy s THR 301 CO 0.02 -0.37 1.03 0.54 -2.21 0.00 0.00 174.62 173.64 3iiy n ARG 302 N 1.38 1.22 -0.02 7.08 1.74 -1.26 -1.50 116.66 125.30 3iiy n ARG 302 Ca -0.22 -1.85 0.13 0.00 -0.77 0.00 0.00 57.85 55.13 3iiy n ARG 302 Cb 0.56 -1.10 0.37 0.00 -1.02 0.00 0.00 32.46 31.27 3iiy n ARG 302 CO 0.00 0.00 0.00 -0.25 -1.52 0.00 0.00 177.63 175.86 3iiy n ASP 303 N -0.82 2.05 -0.10 0.55 8.00 -1.26 -4.41 116.55 120.56 3iiy n ASP 303 Ca 0.08 -1.69 -0.20 0.00 0.71 0.00 0.00 54.79 53.69 3iiy n ASP 303 Cb 0.57 -0.02 -0.11 0.00 -0.02 0.00 0.00 41.12 41.54 3iiy n ASP 303 CO 0.00 0.00 0.00 0.40 -0.39 0.00 0.00 177.20 177.21 3iiy h ILE 304 N 3.13 0.93 -1.99 0.53 1.08 -1.87 -3.49 117.51 115.83 3iiy h ILE 304 Ca 0.00 -2.12 -0.61 0.00 -0.39 0.00 0.00 64.86 61.75 3iiy h ILE 304 Cb 0.67 2.17 -0.13 0.00 -3.07 0.00 0.00 36.82 36.46 3iiy h ILE 304 CO 0.00 0.31 -0.68 -1.00 -0.69 0.00 0.00 178.15 176.10 3iiy s HIS 305 N -2.34 2.43 -0.39 1.37 3.76 -1.26 -5.05 115.29 113.81 3iiy s HIS 305 Ca -0.27 -0.44 0.12 0.00 -0.15 0.00 0.00 55.06 54.32 3iiy s HIS 305 Cb 0.05 -1.33 0.32 0.00 1.11 0.00 0.00 32.58 32.73 3iiy s HIS 305 CO 0.57 0.59 1.24 0.54 -0.85 0.00 0.00 174.74 176.83 3iiy n ARG 306 N -0.80 2.66 -2.03 1.40 5.12 -1.26 -4.99 116.66 116.76 3iiy n ARG 306 Ca -0.05 -2.29 -0.03 0.00 -1.93 0.00 0.00 57.85 53.55 3iiy n ARG 306 Cb 0.62 -1.44 -0.00 0.00 -1.16 0.00 0.00 32.46 30.48 3iiy n ARG 306 CO 0.00 0.00 0.00 -1.71 -1.93 0.00 0.00 177.63 173.99 3iiy n ASN 307 N -0.32 -0.42 -4.64 0.55 2.85 -1.26 -5.06 115.26 106.95 3iiy n ASN 307 Ca 0.13 -1.46 -0.52 0.00 -0.11 0.00 0.00 54.58 52.62 3iiy n ASN 307 Cb 0.58 0.75 -0.06 0.00 1.24 0.00 0.00 39.78 42.29 3iiy n ASN 307 CO 0.00 0.00 0.00 -1.22 -2.11 0.00 0.00 177.26 173.93 3iiy n TYR 308 N -0.14 1.83 -3.27 1.20 4.01 -1.26 -4.35 117.16 115.17 3iiy n TYR 308 Ca -0.01 0.51 -0.43 0.00 -0.16 0.00 0.00 57.90 57.81 3iiy n TYR 308 Cb 0.15 -2.42 -0.08 0.00 -0.31 0.00 0.00 39.34 36.68 3iiy n TYR 308 CO 0.00 0.00 0.00 0.08 -0.46 0.00 0.00 176.86 176.48 3iiy s VAL 309 N 1.70 5.04 -2.21 -0.72 1.01 -0.83 -3.53 120.40 120.86 3iiy s VAL 309 Ca 0.88 -0.44 0.19 0.00 0.00 0.00 0.00 61.98 62.60 3iiy s VAL 309 Cb -0.93 -4.12 0.21 0.00 0.00 0.00 0.00 36.38 31.53 3iiy s VAL 309 CO 0.51 -0.55 1.15 -0.90 0.00 0.00 0.00 175.10 175.31 3iiy n ASP 310 N 5.73 2.72 -3.64 3.32 5.75 -0.77 -2.77 116.55 126.90 3iiy n ASP 310 Ca -0.07 -1.81 -0.05 0.00 -0.01 0.00 0.00 54.79 52.84 3iiy n ASP 310 Cb 0.46 -0.06 -0.07 0.00 -1.03 0.00 0.00 41.12 40.42 3iiy n ASP 310 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 3iiy s VAL 312 N 1.52 -0.03 0.02 0.00 0.11 -1.26 -1.99 120.40 118.77 3iiy s VAL 312 Ca -0.10 0.11 0.02 0.00 -2.93 0.00 0.00 61.98 59.09 3iiy s VAL 312 Cb -0.04 -0.07 -0.01 0.00 -1.53 0.00 0.00 36.38 34.72 3iiy s VAL 312 CO -0.18 0.05 -0.07 -0.13 -3.33 0.00 0.00 175.10 171.44 3iiy s ARG 313 N 0.59 0.50 0.08 1.54 0.52 0.02 -4.33 118.95 117.86 3iiy s ARG 313 Ca -0.05 -0.50 -0.30 0.00 -0.52 0.00 0.00 55.73 54.37 3iiy s ARG 313 Cb -0.07 -0.37 -0.05 0.00 0.52 0.00 0.00 34.95 34.98 3iiy s ARG 313 CO -0.02 0.09 1.03 -1.58 0.02 0.00 0.00 175.30 174.84 3iiy s TRP 314 N -0.78 3.67 -0.67 -0.53 0.52 -1.26 -0.28 118.94 119.61 3iiy s TRP 314 Ca -0.04 1.66 0.02 0.00 0.02 0.00 0.00 56.10 57.76 3iiy s TRP 314 Cb -0.06 -3.17 0.17 0.00 -1.15 0.00 0.00 33.47 29.25 3iiy s TRP 314 CO 0.00 -0.24 0.47 -1.17 0.02 0.00 0.00 176.95 176.03 3iiy s LEU 315 N 0.39 4.87 0.00 2.99 2.96 0.54 -4.90 118.68 125.53 3iiy s LEU 315 Ca 0.51 -3.43 0.00 0.00 -0.22 0.00 0.00 54.13 50.98 3iiy s LEU 315 Cb -0.25 -1.72 0.00 0.00 0.50 0.00 0.00 46.19 44.72 3iiy s LEU 315 CO 0.30 -0.19 0.00 0.61 -1.32 0.00 0.00 176.35 175.75 3iiy n GLY 316 N 2.60 3.66 0.23 7.98 0.00 -1.26 -1.41 105.19 116.99 3iiy n GLY 316 Ca 0.14 -0.05 0.14 0.00 0.00 0.00 0.00 46.02 46.25 3iiy n GLY 316 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 3iiy n ASP 317 N 8.57 0.86 -4.97 1.61 9.92 -1.26 -4.73 116.55 126.55 3iiy n ASP 317 Ca 0.00 -0.88 -0.21 0.00 -0.53 0.00 0.00 54.79 53.16 3iiy n ASP 317 Cb 0.00 0.03 -0.02 0.00 -0.64 0.00 0.00 41.12 40.50 3iiy n ASP 317 CO 0.00 0.00 0.00 -0.76 0.13 0.00 0.00 177.20 176.57 3iiy s LEU 318 N -2.39 4.19 -0.05 0.64 1.43 -0.50 -4.87 118.68 117.13 3iiy s LEU 318 Ca 0.29 0.12 0.02 0.00 -1.03 0.00 0.00 54.13 53.53 3iiy s LEU 318 Cb 0.20 -2.95 -0.03 0.00 0.03 0.00 0.00 46.19 43.44 3iiy s LEU 318 CO 0.47 -0.19 -0.09 -0.63 0.23 0.00 0.00 176.35 176.14 3iiy s ILE 319 N -2.10 3.54 -0.17 -0.59 -1.09 0.13 -0.34 121.20 120.59 3iiy s ILE 319 Ca 0.37 -0.59 -0.01 0.00 -2.23 0.00 0.00 60.65 58.19 3iiy s ILE 319 Cb -0.09 -2.45 -0.00 0.00 -1.58 0.00 0.00 42.46 38.33 3iiy s ILE 319 CO 0.31 0.56 -0.12 -0.76 -1.23 0.00 0.00 174.94 173.70 3iiy s LEU 320 N -0.91 2.63 0.02 2.97 1.43 0.62 -1.08 118.68 124.37 3iiy s LEU 320 Ca 0.13 -0.43 -0.09 0.00 -1.03 0.00 0.00 54.13 52.72 3iiy s LEU 320 Cb -0.11 -1.62 0.00 0.00 0.03 0.00 0.00 46.19 44.50 3iiy s LEU 320 CO 0.02 0.07 0.17 -0.94 0.23 0.00 0.00 176.35 175.90 3iiy s SER 321 N 0.93 0.03 0.14 2.29 1.04 -0.47 -0.80 113.70 116.85 3iiy s SER 321 Ca -0.02 -0.30 0.04 0.00 0.48 0.00 0.00 55.95 56.14 3iiy s SER 321 Cb -0.15 0.25 -0.04 0.00 0.10 0.00 0.00 66.02 66.18 3iiy s SER 321 CO -0.01 -0.48 -0.09 -1.59 0.98 0.00 0.00 173.24 172.05 3iiy s LYS 322 N -2.09 1.01 0.00 4.02 -2.85 -0.84 -0.59 119.74 118.40 3iiy s LYS 322 Ca -0.09 -1.43 0.00 0.00 -1.00 0.00 0.00 55.97 53.45 3iiy s LYS 322 Cb -0.04 -0.51 0.00 0.00 -2.06 0.00 0.00 37.83 35.22 3iiy s LYS 322 CO -0.01 0.05 0.00 0.45 0.10 0.00 0.00 175.35 175.93 3iiy n SER 323 N -0.16 1.62 -2.11 0.03 2.88 -1.25 -1.84 113.62 112.78 3iiy n SER 323 Ca -0.11 -0.14 -0.26 0.00 -1.33 0.00 0.00 58.87 57.04 3iiy n SER 323 Cb 0.61 0.00 0.08 0.00 -0.75 0.00 0.00 64.21 64.14 3iiy n SER 323 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 3iiy n GLU 325 N -0.47 2.02 -3.43 0.00 1.02 -1.26 -4.33 120.64 114.19 3iiy n GLU 325 Ca 0.49 -2.88 -0.21 0.00 -0.02 0.00 0.00 57.16 54.53 3iiy n GLU 325 Cb 0.78 -1.70 0.07 0.00 -0.02 0.00 0.00 31.44 30.56 3iiy n GLU 325 CO 0.00 0.00 0.00 0.09 1.18 0.00 0.00 177.13 178.40 3iiy n ASN 326 N -1.01 -5.92 -3.69 1.62 3.02 -1.26 -4.99 115.26 103.04 3iiy n ASN 326 Ca 0.22 -0.46 -0.13 0.00 -0.03 0.00 0.00 54.58 54.18 3iiy n ASN 326 Cb 0.82 -4.56 -0.09 0.00 -0.61 0.00 0.00 39.78 35.34 3iiy n ASN 326 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 3iiy s ALA 327 N -3.27 -1.36 -0.28 5.41 0.00 -1.26 -2.27 121.76 118.73 3iiy s ALA 327 Ca 0.50 1.59 -0.06 0.00 0.00 0.00 0.00 51.96 53.99 3iiy s ALA 327 Cb -0.22 -0.93 0.01 0.00 0.00 0.00 0.00 23.12 21.98 3iiy s ALA 327 CO 0.62 -0.27 0.06 0.42 0.00 0.00 0.00 175.76 176.60 3iiy s ILE 328 N 0.42 3.87 -0.06 0.00 1.01 -0.32 -3.95 121.20 122.17 3iiy s ILE 328 Ca -0.01 -0.67 -0.15 0.00 0.00 0.00 0.00 60.65 59.82 3iiy s ILE 328 Cb -0.04 -2.96 -0.05 0.00 0.01 0.00 0.00 42.46 39.42 3iiy s ILE 328 CO -0.01 0.13 0.39 -0.69 0.00 0.00 0.00 174.94 174.76 3iiy s VAL 329 N 1.49 5.14 -0.23 2.92 1.01 0.24 -0.75 120.40 130.23 3iiy s VAL 329 Ca 0.03 0.77 -0.09 0.00 0.00 0.00 0.00 61.98 62.70 3iiy s VAL 329 Cb -0.17 -3.70 -0.04 0.00 0.00 0.00 0.00 36.38 32.47 3iiy s VAL 329 CO 0.02 0.49 0.10 0.00 0.00 0.00 0.00 175.10 175.71 3iiy s TRP 331 N 1.08 -0.04 0.04 0.00 1.48 -0.24 -0.50 118.94 120.75 3iiy s TRP 331 Ca 0.05 -0.32 -0.01 0.00 -1.06 0.00 0.00 56.10 54.77 3iiy s TRP 331 Cb -0.14 0.40 -0.03 0.00 -1.16 0.00 0.00 33.47 32.54 3iiy s TRP 331 CO 0.04 -0.97 -0.03 -1.59 -4.06 0.00 0.00 176.95 170.34 3iiy s LYS 332 N -3.90 0.47 0.52 3.25 -2.85 -0.87 0.19 119.74 116.55 3iiy s LYS 332 Ca 0.12 -0.93 -0.20 0.00 -1.00 0.00 0.00 55.97 53.96 3iiy s LYS 332 Cb -0.02 0.17 -0.07 0.00 -2.06 0.00 0.00 37.83 35.85 3iiy s LYS 332 CO 0.01 -0.08 1.11 -2.14 0.10 0.00 0.00 175.35 174.35 3iiy s PRO 333 N -2.76 3.49 0.94 1.78 0.02 -1.26 -1.02 135.00 136.19 3iiy s PRO 333 Ca -0.04 1.58 0.00 0.00 0.02 0.00 0.00 61.00 62.56 3iiy s PRO 333 Cb -0.00 -2.07 0.00 0.00 0.02 0.00 0.00 34.50 32.45 3iiy s PRO 333 CO -0.06 -0.73 0.00 0.41 -0.33 0.00 0.00 177.00 176.29 3iiy n GLY 334 N 0.11 -1.90 3.94 0.52 0.00 0.13 -4.78 105.19 103.21 3iiy n GLY 334 Ca 0.11 -1.35 -0.30 0.00 0.00 0.00 0.00 46.02 44.48 3iiy n GLY 334 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3iiy s LYS 335 N -0.37 0.62 0.25 1.61 1.02 -1.26 -3.29 119.74 118.32 3iiy s LYS 335 Ca 0.00 -0.46 -0.03 0.00 0.02 0.00 0.00 55.97 55.50 3iiy s LYS 335 Cb 0.00 -1.86 0.42 0.00 -0.52 0.00 0.00 37.83 35.87 3iiy s LYS 335 CO 0.00 -2.42 1.81 1.98 -0.92 0.00 0.00 175.35 175.81 3iiy h MET 336 N -1.63 0.79 -0.25 1.68 1.85 -1.94 -2.49 114.93 112.95 3iiy h MET 336 Ca -0.44 -0.05 0.00 0.00 -0.61 0.00 0.00 59.70 58.60 3iiy h MET 336 Cb 1.23 -0.18 0.00 0.00 0.43 0.00 0.00 31.60 33.08 3iiy h MET 336 CO 0.37 0.52 0.00 -0.85 -0.40 0.00 0.00 176.91 176.55 3iiy n GLU 337 N -4.73 2.08 -2.51 0.39 0.00 -1.26 -4.94 120.64 109.67 3iiy n GLU 337 Ca 0.14 -1.62 -0.42 0.00 0.00 0.00 0.00 57.16 55.26 3iiy n GLU 337 Cb 0.29 -1.45 -0.03 0.00 0.00 0.00 0.00 31.44 30.26 3iiy n GLU 337 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.13 176.62 3iiy s ASP 338 N -1.56 7.10 0.21 -1.84 1.01 -0.94 -5.02 116.67 115.62 3iiy s ASP 338 Ca 0.35 1.76 -0.30 0.00 0.71 0.00 0.00 52.55 55.06 3iiy s ASP 338 Cb 0.20 -2.56 -0.08 0.00 1.01 0.00 0.00 42.92 41.48 3iiy s ASP 338 CO 0.29 -0.54 1.23 -0.62 0.21 0.00 0.00 175.17 175.73 3iiy s ASP 339 N 1.37 7.03 0.36 0.27 -1.08 -1.26 -4.90 116.67 118.45 3iiy s ASP 339 Ca 0.54 2.31 0.06 0.00 -0.52 0.00 0.00 52.55 54.94 3iiy s ASP 339 Cb -0.23 -2.61 0.74 0.00 -1.46 0.00 0.00 42.92 39.36 3iiy s ASP 339 CO 0.21 -0.40 1.96 -0.29 0.52 0.00 0.00 175.17 177.17 3iiy h ILE 340 N 3.64 1.02 -0.01 4.11 6.09 -1.92 -2.02 117.51 128.42 3iiy h ILE 340 Ca -0.45 -0.26 0.00 0.00 -1.37 0.00 0.00 64.86 62.78 3iiy h ILE 340 Cb 1.21 0.20 0.00 0.00 0.47 0.00 0.00 36.82 38.70 3iiy h ILE 340 CO 0.74 0.14 0.00 0.47 -3.07 0.00 0.00 178.15 176.43 3iiy n ASP 341 N -4.48 0.41 -0.53 2.19 8.00 -1.26 -2.77 116.55 118.10 3iiy n ASP 341 Ca 0.11 -1.22 0.07 0.00 0.71 0.00 0.00 54.79 54.46 3iiy n ASP 341 Cb 0.23 -0.01 0.05 0.00 -0.02 0.00 0.00 41.12 41.37 3iiy n ASP 341 CO 0.00 0.00 0.00 0.29 -0.39 0.00 0.00 177.20 177.10 3iiy n LYS 342 N -0.64 1.22 -2.36 -1.24 5.02 -0.77 -4.99 118.16 114.40 3iiy n LYS 342 Ca 0.21 -1.25 -0.42 0.00 -2.02 0.00 0.00 58.31 54.83 3iiy n LYS 342 Cb 0.17 -1.27 -0.03 0.00 -0.02 0.00 0.00 35.03 33.88 3iiy n LYS 342 CO 0.00 0.00 0.00 0.42 -0.52 0.00 0.00 177.40 177.30 3iiy s ILE 343 N -1.33 4.04 0.20 -0.18 -1.09 -1.12 -5.00 121.20 116.72 3iiy s ILE 343 Ca 0.16 1.38 0.04 0.00 -2.23 0.00 0.00 60.65 60.00 3iiy s ILE 343 Cb 0.12 -3.89 -0.03 0.00 -1.58 0.00 0.00 42.46 37.08 3iiy s ILE 343 CO 0.22 -0.01 0.28 -0.54 -1.23 0.00 0.00 174.94 173.66 3iiy s LYS 344 N 2.43 3.31 0.56 2.79 1.02 -1.26 -4.90 119.74 123.69 3iiy s LYS 344 Ca 0.59 -0.74 0.34 0.00 0.02 0.00 0.00 55.97 56.18 3iiy s LYS 344 Cb -0.27 -2.85 1.49 0.00 -0.52 0.00 0.00 37.83 35.68 3iiy s LYS 344 CO 0.23 0.47 1.80 -1.35 -0.92 0.00 0.00 175.35 175.57 3iiy h PRO 345 N 1.74 0.00 0.00 -1.68 0.11 -1.77 -1.44 132.00 128.96 3iiy h PRO 345 Ca -0.50 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.61 3iiy h PRO 345 Cb 1.21 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.32 3iiy h PRO 345 CO 0.64 0.00 -0.07 -1.13 -0.21 0.00 0.00 178.00 177.23 3iiy n SER 346 N -4.03 0.36 -4.58 -2.05 3.41 -1.26 -4.56 113.62 100.90 3iiy n SER 346 Ca 0.21 0.45 -0.54 0.00 -0.26 0.00 0.00 58.87 58.73 3iiy n SER 346 Cb 1.13 -0.51 -0.07 0.00 -0.26 0.00 0.00 64.21 64.51 3iiy n SER 346 CO 0.00 0.00 0.00 1.21 -0.16 0.00 0.00 175.04 176.09 3iiy n GLU 347 N -1.80 0.86 -0.00 4.33 4.07 -0.54 -4.90 120.64 122.65 3iiy n GLU 347 Ca 0.06 0.31 0.04 0.00 -0.06 0.00 0.00 57.16 57.52 3iiy n GLU 347 Cb 0.38 -1.92 -0.06 0.00 -0.06 0.00 0.00 31.44 29.78 3iiy n GLU 347 CO 0.00 0.00 0.00 0.43 -0.06 0.00 0.00 177.13 177.50 3iiy n SER 348 N 2.54 1.52 -4.88 4.31 7.64 -1.26 -4.75 113.62 118.75 3iiy n SER 348 Ca 0.20 -0.39 -0.27 0.00 1.01 0.00 0.00 58.87 59.42 3iiy n SER 348 Cb 0.15 1.19 -0.04 0.00 -1.01 0.00 0.00 64.21 64.50 3iiy n SER 348 CO 0.00 0.00 0.00 0.20 -3.01 0.00 0.00 175.04 172.23 3iiy s ASN 349 N -2.38 5.97 0.21 6.43 0.02 -1.26 -5.02 114.94 118.90 3iiy s ASN 349 Ca 0.00 0.04 0.02 0.00 -1.02 0.00 0.00 52.86 51.91 3iiy s ASN 349 Cb 0.06 -1.70 -0.05 0.00 0.02 0.00 0.00 41.25 39.58 3iiy s ASN 349 CO 0.37 0.07 0.03 0.68 0.02 0.00 0.00 177.10 178.27 3iiy s VAL 350 N -1.72 0.70 -0.14 1.60 -7.23 -1.25 0.21 120.40 112.57 3iiy s VAL 350 Ca 0.33 -1.99 -0.01 0.00 -1.81 0.00 0.00 61.98 58.49 3iiy s VAL 350 Cb -0.11 -2.30 0.04 0.00 0.56 0.00 0.00 36.38 34.58 3iiy s VAL 350 CO 0.26 -0.32 -0.02 -0.89 -0.31 0.00 0.00 175.10 173.82 3iiy s THR 351 N -3.65 0.72 -0.31 5.32 2.01 -0.19 -4.80 115.64 114.75 3iiy s THR 351 Ca 0.28 -0.34 -0.27 0.00 0.31 0.00 0.00 61.69 61.68 3iiy s THR 351 Cb 0.06 -0.96 0.01 0.00 0.01 0.00 0.00 72.50 71.63 3iiy s THR 351 CO 0.07 0.11 0.98 -0.63 -0.69 0.00 0.00 174.62 174.47 3iiy s ILE 352 N 1.80 4.60 -2.86 1.82 -1.09 -1.26 -2.06 121.20 122.16 3iiy s ILE 352 Ca 0.02 1.57 0.24 0.00 -2.23 0.00 0.00 60.65 60.25 3iiy s ILE 352 Cb -0.14 -4.33 0.27 0.00 -1.58 0.00 0.00 42.46 36.67 3iiy s ILE 352 CO -0.07 -0.40 1.33 0.18 -1.23 0.00 0.00 174.94 174.75 3iiy n LEU 353 N 6.64 2.91 0.00 2.97 4.32 0.34 -4.99 117.00 129.19 3iiy n LEU 353 Ca 0.09 -1.03 0.00 0.00 -0.02 0.00 0.00 56.01 55.06 3iiy n LEU 353 Cb 0.47 -0.04 0.00 0.00 -1.62 0.00 0.00 43.42 42.23 3iiy n LEU 353 CO 0.56 0.51 0.00 0.61 -1.22 0.00 0.00 177.39 177.85 3iiy n GLY 354 N 1.36 2.76 3.44 -0.72 0.00 -1.18 -3.75 105.19 107.08 3iiy n GLY 354 Ca 0.15 -1.21 -0.06 0.00 0.00 0.00 0.00 46.02 44.91 3iiy n GLY 354 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 3iiy s ARG 355 N -2.09 0.45 -0.42 1.61 3.52 -1.26 -1.21 118.95 119.56 3iiy s ARG 355 Ca 0.00 1.19 -0.18 0.00 -0.13 0.00 0.00 55.73 56.60 3iiy s ARG 355 Cb 0.00 0.49 0.02 0.00 -1.56 0.00 0.00 34.95 33.90 3iiy s ARG 355 CO 0.00 -0.22 0.50 -0.06 -0.81 0.00 0.00 175.30 174.72 3iiy s PHE 356 N 2.54 3.14 0.41 5.12 0.08 0.07 -4.92 117.98 124.43 3iiy s PHE 356 Ca -0.05 -0.22 -0.07 0.00 0.12 0.00 0.00 56.93 56.71 3iiy s PHE 356 Cb -0.11 -3.02 -0.05 0.00 -0.57 0.00 0.00 43.02 39.26 3iiy s PHE 356 CO -0.16 -0.73 0.73 -0.51 -0.10 0.00 0.00 175.22 174.46 3iiy s ASP 357 N 1.86 6.41 0.10 1.36 1.01 -1.26 -1.17 116.67 124.98 3iiy s ASP 357 Ca 0.16 0.97 -0.03 0.00 0.71 0.00 0.00 52.55 54.36 3iiy s ASP 357 Cb -0.16 -2.26 0.01 0.00 1.01 0.00 0.00 42.92 41.52 3iiy s ASP 357 CO 0.15 -0.43 0.19 0.00 0.21 0.00 0.00 175.17 175.29 3iiy n TYR 358 N -1.59 -1.19 -4.65 4.23 0.18 -0.96 -4.98 117.16 108.20 3iiy n TYR 358 Ca 0.01 -0.53 -0.27 0.00 1.88 0.00 0.00 57.90 58.99 3iiy n TYR 358 Cb 0.54 0.22 -0.14 0.00 -0.38 0.00 0.00 39.34 39.58 3iiy n TYR 358 CO 0.00 0.00 0.00 -1.12 -2.08 0.00 0.00 176.86 173.66 3iiy s SER 359 N -1.56 2.69 -0.88 9.48 0.01 -1.26 -4.80 113.70 117.38 3iiy s SER 359 Ca 0.05 -0.57 -0.04 0.00 1.31 0.00 0.00 55.95 56.70 3iiy s SER 359 Cb -0.01 -0.22 -0.05 0.00 0.21 0.00 0.00 66.02 65.95 3iiy s SER 359 CO 0.04 0.17 0.77 0.00 0.41 0.00 0.00 173.24 174.63 3iiy n GLN 360 N 1.69 -2.41 -2.89 12.44 6.02 -1.26 -4.73 117.38 126.23 3iiy n GLN 360 Ca -0.17 0.71 -0.12 0.00 -0.01 0.00 0.00 57.00 57.41 3iiy n GLN 360 Cb 0.53 -5.10 0.04 0.00 1.02 0.00 0.00 30.24 26.73 3iiy n GLN 360 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 3iiy n ASP 362 N 0.12 3.41 -4.87 0.00 5.68 -1.26 -4.14 116.55 115.49 3iiy n ASP 362 Ca 0.13 -2.17 -0.31 0.00 -0.50 0.00 0.00 54.79 51.94 3iiy n ASP 362 Cb 0.73 -0.35 -0.03 0.00 -1.14 0.00 0.00 41.12 40.33 3iiy n ASP 362 CO 0.00 0.00 0.00 0.27 -1.33 0.00 0.00 177.20 176.14 3iiy s ILE 363 N -1.30 4.74 0.34 2.12 -4.36 -1.26 -4.87 121.20 116.61 3iiy s ILE 363 Ca 0.33 0.72 0.02 0.00 -0.26 0.00 0.00 60.65 61.46 3iiy s ILE 363 Cb 0.19 -3.73 -0.03 0.00 1.25 0.00 0.00 42.46 40.14 3iiy s ILE 363 CO 0.19 -0.57 0.53 -1.66 0.24 0.00 0.00 174.94 173.67 3iiy s TRP 364 N -2.44 3.41 -0.23 1.37 1.48 -1.26 -4.62 118.94 116.66 3iiy s TRP 364 Ca 0.53 0.21 -0.01 0.00 -1.06 0.00 0.00 56.10 55.77 3iiy s TRP 364 Cb -0.10 -1.92 -0.01 0.00 -1.16 0.00 0.00 33.47 30.28 3iiy s TRP 364 CO 0.32 0.09 0.19 0.98 -4.06 0.00 0.00 176.95 174.47 3iiy n TYR 365 N -1.76 -0.50 -3.71 1.66 9.36 -1.26 -5.08 117.16 115.87 3iiy n TYR 365 Ca -0.04 0.18 -0.29 0.00 3.32 0.00 0.00 57.90 61.07 3iiy n TYR 365 Cb 0.57 -2.79 -0.16 0.00 -0.63 0.00 0.00 39.34 36.33 3iiy n TYR 365 CO 0.00 0.00 0.00 -1.64 0.22 0.00 0.00 176.86 175.44 3iiy s MET 366 N -3.53 0.65 -0.16 2.98 -1.94 -1.26 -4.84 119.30 111.19 3iiy s MET 366 Ca 0.07 -0.78 -0.06 0.00 -1.71 0.00 0.00 55.69 53.22 3iiy s MET 366 Cb -0.01 -1.93 -0.04 0.00 2.01 0.00 0.00 34.83 34.86 3iiy s MET 366 CO 0.15 -0.86 0.03 1.03 -0.01 0.00 0.00 175.02 175.35 3iiy s ARG 367 N 1.76 3.76 0.52 2.03 3.00 -0.27 -4.81 118.95 124.93 3iiy s ARG 367 Ca 0.06 -0.40 -0.05 0.00 0.00 0.00 0.00 55.73 55.33 3iiy s ARG 367 Cb -0.17 -3.07 -0.02 0.00 0.00 0.00 0.00 34.95 31.69 3iiy s ARG 367 CO -0.21 0.33 0.83 -0.59 0.00 0.00 0.00 175.30 175.66 3iiy s PHE 368 N 0.18 3.43 0.24 -0.53 -0.12 -1.26 -3.90 117.98 116.01 3iiy s PHE 368 Ca 0.02 0.72 0.01 0.00 -0.05 0.00 0.00 56.93 57.64 3iiy s PHE 368 Cb -0.13 -2.48 -0.05 0.00 -0.63 0.00 0.00 43.02 39.73 3iiy s PHE 368 CO 0.01 -0.50 0.08 -1.54 -0.05 0.00 0.00 175.22 173.22 3iiy s SER 369 N -4.19 1.18 0.23 1.98 1.04 -0.24 -4.87 113.70 108.83 3iiy s SER 369 Ca 0.50 -1.34 0.08 0.00 0.48 0.00 0.00 55.95 55.67 3iiy s SER 369 Cb -0.10 0.16 -0.05 0.00 0.10 0.00 0.00 66.02 66.12 3iiy s SER 369 CO 0.45 -0.70 -0.13 0.42 0.98 0.00 0.00 173.24 174.26 3iiy s THR 370 N -3.74 1.79 0.98 2.02 -4.23 -1.26 -1.02 115.64 110.19 3iiy s THR 370 Ca 0.35 -2.21 -0.14 0.00 -1.18 0.00 0.00 61.69 58.50 3iiy s THR 370 Cb 0.07 -2.19 0.18 0.00 1.34 0.00 0.00 72.50 71.91 3iiy s THR 370 CO 0.12 -0.49 1.17 1.51 -0.54 0.00 0.00 174.62 176.38 3iiy s ASP 371 N -3.37 2.89 0.21 3.99 -4.77 -1.17 -4.67 116.67 109.78 3iiy s ASP 371 Ca 0.25 0.75 -0.09 0.00 -3.30 0.00 0.00 52.55 50.16 3iiy s ASP 371 Cb 0.00 -1.14 0.31 0.00 -1.09 0.00 0.00 42.92 41.00 3iiy s ASP 371 CO 0.09 -2.92 1.72 0.15 0.70 0.00 0.00 175.17 174.91 3iiy h PHE 372 N -1.76 0.30 -0.00 2.11 3.57 -1.81 -1.99 116.94 117.36 3iiy h PHE 372 Ca -0.48 0.03 0.00 0.00 3.53 0.00 0.00 57.97 61.05 3iiy h PHE 372 Cb 1.30 -0.04 0.00 0.00 2.79 0.00 0.00 35.95 40.01 3iiy h PHE 372 CO -0.52 0.02 -0.06 0.91 -2.23 0.00 0.00 178.31 176.43 3iiy n TRP 373 N -5.07 0.00 -3.52 0.41 7.02 -1.26 -4.90 117.44 110.11 3iiy n TRP 373 Ca 0.10 0.00 -0.22 0.00 -1.02 0.00 0.00 57.50 56.36 3iiy n TRP 373 Cb 0.32 -0.26 0.08 0.00 -2.42 0.00 0.00 31.31 29.03 3iiy n TRP 373 CO 0.00 0.00 0.00 1.04 -2.02 0.00 0.00 177.69 176.71 3iiy n GLN 374 N -1.19 -7.46 0.03 -0.99 6.02 -0.75 -4.94 117.38 108.10 3iiy n GLN 374 Ca 0.14 0.79 -0.09 0.00 -0.01 0.00 0.00 57.00 57.83 3iiy n GLN 374 Cb 0.26 -5.72 -0.13 0.00 1.02 0.00 0.00 30.24 25.67 3iiy n GLN 374 CO 0.00 0.00 0.00 0.87 -1.01 0.00 0.00 177.06 176.92 3iiy h LYS 375 N -2.49 0.04 -4.63 -1.09 1.57 -1.91 -3.46 116.57 104.61 3iiy h LYS 375 Ca -0.54 -0.07 -0.25 0.00 -1.87 0.00 0.00 60.65 57.91 3iiy h LYS 375 Cb 1.35 0.03 -0.15 0.00 0.08 0.00 0.00 32.23 33.54 3iiy h LYS 375 CO 0.53 0.83 -0.63 0.00 -0.57 0.00 0.00 179.45 179.61 3iiy s MET 376 N -2.65 1.17 -0.07 3.15 0.23 -1.26 -0.25 119.30 119.62 3iiy s MET 376 Ca -0.03 -1.61 -0.03 0.00 -1.03 0.00 0.00 55.69 53.00 3iiy s MET 376 Cb 0.09 0.12 0.04 0.00 -1.53 0.00 0.00 34.83 33.55 3iiy s MET 376 CO 0.83 -0.32 0.14 -1.17 -2.03 0.00 0.00 175.02 172.46 3iiy s LEU 377 N -3.17 0.46 -0.04 0.18 2.96 -0.41 -3.07 118.68 115.60 3iiy s LEU 377 Ca 0.34 0.28 0.06 0.00 -0.22 0.00 0.00 54.13 54.59 3iiy s LEU 377 Cb 0.07 0.28 -0.02 0.00 0.50 0.00 0.00 46.19 47.02 3iiy s LEU 377 CO 0.09 -0.18 -0.22 0.00 -1.32 0.00 0.00 176.35 174.72 3iiy s ALA 378 N 1.58 2.32 -0.08 5.97 0.00 -0.19 -0.35 121.76 131.02 3iiy s ALA 378 Ca -0.04 -1.05 -0.04 0.00 0.00 0.00 0.00 51.96 50.83 3iiy s ALA 378 Cb -0.12 -0.73 0.04 0.00 0.00 0.00 0.00 23.12 22.32 3iiy s ALA 378 CO -0.06 0.50 0.18 -1.17 0.00 0.00 0.00 175.76 175.21 3iiy s LEU 379 N -0.48 0.45 0.27 0.00 2.96 0.30 -1.08 118.68 121.10 3iiy s LEU 379 Ca 0.06 0.39 -0.07 0.00 -0.22 0.00 0.00 54.13 54.28 3iiy s LEU 379 Cb -0.11 0.48 -0.06 0.00 0.50 0.00 0.00 46.19 46.99 3iiy s LEU 379 CO 0.01 -0.17 0.57 -0.83 -1.32 0.00 0.00 176.35 174.61 3iiy s GLY 380 N 1.44 2.04 0.11 7.98 0.00 -1.26 0.23 107.32 117.87 3iiy s GLY 380 Ca -0.07 -0.40 0.01 0.00 0.00 0.00 0.00 44.72 44.26 3iiy s GLY 380 CO -0.07 -0.28 0.10 1.16 0.00 0.00 0.00 173.10 174.02 3iiy n ASN 381 N -0.63 1.13 -0.01 1.64 0.23 0.39 -4.74 115.26 113.28 3iiy n ASN 381 Ca -0.00 -1.37 0.14 0.00 -0.53 0.00 0.00 54.58 52.82 3iiy n ASN 381 Cb 0.53 -0.03 0.57 0.00 -2.08 0.00 0.00 39.78 38.78 3iiy n ASN 381 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 3iiy n GLN 382 N -0.88 0.08 -0.22 -3.83 10.64 -0.07 -1.33 117.38 121.77 3iiy n GLN 382 Ca 0.00 -0.01 0.06 0.00 -1.83 0.00 0.00 57.00 55.22 3iiy n GLN 382 Cb 0.13 -1.50 0.16 0.00 -0.86 0.00 0.00 30.24 28.17 3iiy n GLN 382 CO 0.00 0.00 0.00 1.33 -1.83 0.00 0.00 177.06 176.56 3iiy n VAL 383 N -1.45 1.56 -0.33 -0.39 0.24 -1.26 -2.79 118.33 113.90 3iiy n VAL 383 Ca 0.08 -1.49 0.00 0.00 -2.04 0.00 0.00 64.34 60.89 3iiy n VAL 383 Cb 0.33 0.14 0.00 0.00 -1.47 0.00 0.00 33.84 32.83 3iiy n VAL 383 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 3iiy n GLY 384 N -0.31 0.81 3.75 7.63 0.00 -1.07 -4.22 105.19 111.79 3iiy n GLY 384 Ca 0.13 -0.23 -0.38 0.00 0.00 0.00 0.00 46.02 45.55 3iiy n GLY 384 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 3iiy s LYS 385 N -0.66 4.23 -0.12 1.61 2.20 -1.26 -4.67 119.74 121.06 3iiy s LYS 385 Ca 0.00 0.38 -0.11 0.00 -0.36 0.00 0.00 55.97 55.88 3iiy s LYS 385 Cb 0.00 -3.39 -0.05 0.00 -1.51 0.00 0.00 37.83 32.89 3iiy s LYS 385 CO 0.00 0.29 0.23 -0.51 -0.36 0.00 0.00 175.35 175.00 3iiy s LEU 386 N 0.20 4.34 -0.13 5.43 1.43 -0.80 -0.46 118.68 128.70 3iiy s LEU 386 Ca 0.24 0.53 -0.01 0.00 -1.03 0.00 0.00 54.13 53.86 3iiy s LEU 386 Cb -0.15 -2.25 -0.02 0.00 0.03 0.00 0.00 46.19 43.80 3iiy s LEU 386 CO 0.10 0.28 -0.10 -0.31 0.23 0.00 0.00 176.35 176.54 3iiy s TYR 387 N -0.42 2.88 -0.11 0.29 2.02 0.13 -1.16 117.35 120.97 3iiy s TYR 387 Ca 0.16 -0.47 0.02 0.00 -0.37 0.00 0.00 57.07 56.40 3iiy s TYR 387 Cb -0.13 -1.86 0.02 0.00 -0.40 0.00 0.00 41.96 39.59 3iiy s TYR 387 CO 0.05 -0.11 -0.15 0.08 -1.57 0.00 0.00 175.55 173.85 3iiy s VAL 388 N 0.22 1.51 -0.16 0.71 1.01 -0.10 -0.54 120.40 123.06 3iiy s VAL 388 Ca -0.06 -0.64 -0.04 0.00 0.00 0.00 0.00 61.98 61.23 3iiy s VAL 388 Cb -0.15 -1.38 -0.03 0.00 0.00 0.00 0.00 36.38 34.82 3iiy s VAL 388 CO 0.04 0.44 -0.01 0.26 0.00 0.00 0.00 175.10 175.84 3iiy s TRP 389 N 1.04 3.10 -0.48 5.22 0.51 0.53 -0.55 118.94 128.31 3iiy s TRP 389 Ca -0.05 -0.15 -0.28 0.00 -2.12 0.00 0.00 56.10 53.49 3iiy s TRP 389 Cb -0.15 -1.97 0.03 0.00 -0.81 0.00 0.00 33.47 30.57 3iiy s TRP 389 CO -0.03 0.06 1.07 0.34 -0.51 0.00 0.00 176.95 177.89 3iiy s ASP 390 N 0.24 6.59 0.00 2.95 -1.08 0.17 -1.28 116.67 124.26 3iiy s ASP 390 Ca -0.01 0.35 0.25 0.00 -0.52 0.00 0.00 52.55 52.62 3iiy s ASP 390 Cb -0.13 -2.52 0.44 0.00 -1.46 0.00 0.00 42.92 39.24 3iiy s ASP 390 CO 0.02 -1.20 1.36 0.18 0.52 0.00 0.00 175.17 176.06 3iiy n LEU 391 N 7.65 1.26 -3.36 -1.34 4.77 0.65 -1.75 117.00 124.88 3iiy n LEU 391 Ca 0.10 -0.39 -0.33 0.00 -0.03 0.00 0.00 56.01 55.36 3iiy n LEU 391 Cb 0.49 -0.09 -0.03 0.00 -2.33 0.00 0.00 43.42 41.46 3iiy n LEU 391 CO 0.70 0.24 2.64 1.21 -1.33 0.00 0.00 177.39 180.85 3iiy n GLU 392 N -0.62 2.51 -4.03 3.23 4.07 -1.18 -4.78 120.64 119.84 3iiy n GLU 392 Ca 0.10 -1.87 -0.08 0.00 -0.06 0.00 0.00 57.16 55.25 3iiy n GLU 392 Cb 0.38 -2.74 -0.09 0.00 -0.06 0.00 0.00 31.44 28.93 3iiy n GLU 392 CO 0.00 0.00 0.00 0.14 -0.06 0.00 0.00 177.13 177.21 3iiy s VAL 393 N 3.33 0.20 0.16 6.31 -7.23 -1.26 -5.06 120.40 116.85 3iiy s VAL 393 Ca 0.52 -1.61 -0.15 0.00 -1.81 0.00 0.00 61.98 58.93 3iiy s VAL 393 Cb 0.13 -1.39 0.05 0.00 0.56 0.00 0.00 36.38 35.74 3iiy s VAL 393 CO -0.02 -0.89 1.74 -0.33 -0.31 0.00 0.00 175.10 175.29 3iiy h GLU 394 N 3.18 0.24 -6.28 4.82 5.08 -1.93 -3.43 114.58 116.25 3iiy h GLU 394 Ca -0.34 -0.01 -0.59 0.00 -1.00 0.00 0.00 59.36 57.42 3iiy h GLU 394 Cb 1.16 -0.05 -0.20 0.00 0.50 0.00 0.00 28.75 30.16 3iiy h GLU 394 CO 0.62 0.16 -0.81 -0.51 -1.00 0.00 0.00 179.01 177.47 3iiy s ASP 395 N -5.34 2.91 0.26 1.42 1.01 -1.26 -5.05 116.67 110.62 3iiy s ASP 395 Ca -0.13 -0.80 -0.02 0.00 0.71 0.00 0.00 52.55 52.30 3iiy s ASP 395 Cb 0.13 -0.18 0.46 0.00 1.01 0.00 0.00 42.92 44.34 3iiy s ASP 395 CO 0.71 0.05 1.80 -0.65 0.21 0.00 0.00 175.17 177.30 3iiy h PRO 396 N 3.53 0.75 0.00 8.23 0.11 -1.84 -1.79 132.00 140.98 3iiy h PRO 396 Ca -0.45 -0.04 0.00 0.00 0.11 0.00 0.00 66.00 65.61 3iiy h PRO 396 Cb 1.20 -0.17 0.00 0.00 0.11 0.00 0.00 31.00 32.14 3iiy h PRO 396 CO 0.46 0.49 0.00 -2.39 -0.21 0.00 0.00 178.00 176.35 3iiy n HIS 397 N -4.76 0.00 0.97 0.65 1.44 -1.25 -2.62 115.22 109.65 3iiy n HIS 397 Ca 0.15 0.00 0.09 0.00 -2.01 0.00 0.00 57.72 55.96 3iiy n HIS 397 Cb 0.34 -0.26 0.30 0.00 0.12 0.00 0.00 29.99 30.48 3iiy n HIS 397 CO 0.00 0.00 0.00 1.63 -2.81 0.00 0.00 176.34 175.16 3iiy n LYS 398 N -1.26 1.88 -1.75 -1.40 5.02 -0.67 -4.98 118.16 114.99 3iiy n LYS 398 Ca 0.09 -1.34 -0.42 0.00 -2.02 0.00 0.00 58.31 54.63 3iiy n LYS 398 Cb 0.14 -1.39 -0.00 0.00 -0.02 0.00 0.00 35.03 33.77 3iiy n LYS 398 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 3iiy n ALA 399 N 0.57 2.09 -2.64 7.82 0.00 -1.08 -4.94 120.51 122.33 3iiy n ALA 399 Ca 0.16 0.35 -0.37 0.00 0.00 0.00 0.00 53.44 53.58 3iiy n ALA 399 Cb 0.37 -2.38 -0.10 0.00 0.00 0.00 0.00 19.45 17.34 3iiy n ALA 399 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.50 177.65 3iiy s LYS 400 N -1.98 4.02 -0.03 0.00 1.02 -0.72 -4.87 119.74 117.18 3iiy s LYS 400 Ca 0.54 -0.29 -0.06 0.00 0.02 0.00 0.00 55.97 56.18 3iiy s LYS 400 Cb -0.50 -3.58 -0.04 0.00 -0.52 0.00 0.00 37.83 33.19 3iiy s LYS 400 CO 0.63 -0.03 0.21 0.00 -0.92 0.00 0.00 175.35 175.24 3iiy s THR 402 N -1.23 0.21 0.03 0.00 -1.32 0.29 -4.52 115.64 109.09 3iiy s THR 402 Ca 0.24 -1.34 0.07 0.00 -1.21 0.00 0.00 61.69 59.45 3iiy s THR 402 Cb -0.13 -0.87 -0.02 0.00 -1.51 0.00 0.00 72.50 69.96 3iiy s THR 402 CO 0.14 -0.72 -0.22 0.42 -2.21 0.00 0.00 174.62 172.03 3iiy s THR 403 N -2.59 1.74 -0.25 5.08 -4.23 -1.26 -0.92 115.64 113.21 3iiy s THR 403 Ca -0.05 -1.17 0.03 0.00 -1.18 0.00 0.00 61.69 59.32 3iiy s THR 403 Cb -0.02 -1.50 0.06 0.00 1.34 0.00 0.00 72.50 72.38 3iiy s THR 403 CO -0.05 0.29 -0.11 -0.76 -0.54 0.00 0.00 174.62 173.44 3iiy s LEU 404 N -1.05 3.29 0.18 4.79 1.43 -0.31 -5.01 118.68 122.00 3iiy s LEU 404 Ca 0.08 -1.33 0.11 0.00 -1.03 0.00 0.00 54.13 51.97 3iiy s LEU 404 Cb -0.09 -1.52 -0.04 0.00 0.03 0.00 0.00 46.19 44.57 3iiy s LEU 404 CO 0.01 -0.18 -0.24 0.42 0.23 0.00 0.00 176.35 176.60 3iiy s THR 405 N 1.14 2.26 -0.01 5.49 -4.23 -1.26 -1.90 115.64 117.13 3iiy s THR 405 Ca -0.08 -1.96 -0.01 0.00 -1.18 0.00 0.00 61.69 58.47 3iiy s THR 405 Cb -0.19 -2.05 0.01 0.00 1.34 0.00 0.00 72.50 71.60 3iiy s THR 405 CO -0.06 -0.10 0.03 -2.28 -0.54 0.00 0.00 174.62 171.67 3iiy s HIS 406 N -1.58 -0.02 0.35 3.99 2.46 -1.26 -5.00 115.29 114.22 3iiy s HIS 406 Ca 0.19 0.08 0.03 0.00 0.47 0.00 0.00 55.06 55.83 3iiy s HIS 406 Cb -0.08 -0.04 0.64 0.00 -0.13 0.00 0.00 32.58 32.97 3iiy s HIS 406 CO 0.09 -0.03 1.98 1.12 -2.47 0.00 0.00 174.74 175.42 3iiy h HIS 407 N 6.37 0.71 -0.06 3.88 2.07 -2.00 -2.29 115.15 123.83 3iiy h HIS 407 Ca -0.29 -0.01 0.00 0.00 -2.85 0.00 0.00 60.37 57.22 3iiy h HIS 407 Cb 1.19 -0.23 0.00 0.00 2.57 0.00 0.00 27.41 30.94 3iiy h HIS 407 CO 0.43 0.50 0.00 1.63 -3.07 0.00 0.00 177.93 177.42 3iiy n LYS 408 N -4.40 1.62 -3.40 5.12 5.02 -1.26 -4.66 118.16 116.19 3iiy n LYS 408 Ca 0.05 -0.91 -0.45 0.00 -2.02 0.00 0.00 58.31 54.98 3iiy n LYS 408 Cb 0.10 -1.45 -0.04 0.00 -0.02 0.00 0.00 35.03 33.62 3iiy n LYS 408 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 3iiy n GLY 410 N 4.06 -0.27 3.95 0.00 0.00 -1.26 -4.32 105.19 107.35 3iiy n GLY 410 Ca 0.09 -0.05 -0.23 0.00 0.00 0.00 0.00 46.02 45.83 3iiy n GLY 410 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3iiy s ALA 411 N -0.63 3.72 0.25 4.61 0.00 -1.26 -4.04 121.76 124.41 3iiy s ALA 411 Ca 0.01 -1.01 -0.30 0.00 0.00 0.00 0.00 51.96 50.66 3iiy s ALA 411 Cb 0.01 -2.18 -0.10 0.00 0.00 0.00 0.00 23.12 20.86 3iiy s ALA 411 CO 0.04 -0.37 1.46 0.00 0.00 0.00 0.00 175.76 176.89 3iiy s ALA 412 N -2.56 3.64 -0.24 0.00 0.00 -1.12 -2.58 121.76 118.90 3iiy s ALA 412 Ca 0.48 1.35 -0.17 0.00 0.00 0.00 0.00 51.96 53.62 3iiy s ALA 412 Cb -0.10 -3.57 -0.03 0.00 0.00 0.00 0.00 23.12 19.42 3iiy s ALA 412 CO 0.38 -0.76 0.45 0.42 0.00 0.00 0.00 175.76 176.25 3iiy s ILE 413 N 0.05 5.14 -0.01 0.00 1.01 -0.44 -1.09 121.20 125.86 3iiy s ILE 413 Ca 0.60 0.76 0.04 0.00 0.00 0.00 0.00 60.65 62.06 3iiy s ILE 413 Cb -0.42 -3.77 -0.25 0.00 0.01 0.00 0.00 42.46 38.03 3iiy s ILE 413 CO 0.43 0.16 0.80 0.03 0.00 0.00 0.00 174.94 176.37 3iiy h ARG 414 N 7.80 0.11 -2.21 2.79 2.47 -1.39 -3.41 114.38 120.54 3iiy h ARG 414 Ca -0.32 -0.19 -0.01 0.00 -1.26 0.00 0.00 59.98 58.20 3iiy h ARG 414 Cb 1.15 0.07 -0.18 0.00 -1.65 0.00 0.00 29.97 29.37 3iiy h ARG 414 CO 0.70 0.86 0.27 -1.14 0.56 0.00 0.00 179.97 181.23 3iiy s GLN 415 N -2.62 1.02 0.25 0.04 0.74 -1.26 -1.12 119.66 116.72 3iiy s GLN 415 Ca -0.07 0.01 0.11 0.00 0.05 0.00 0.00 55.36 55.47 3iiy s GLN 415 Cb 0.08 0.48 -0.05 0.00 1.10 0.00 0.00 33.01 34.62 3iiy s GLN 415 CO 0.83 -0.37 -0.17 0.95 -0.55 0.00 0.00 175.29 175.98 3iiy s THR 416 N -1.98 2.66 -0.11 -0.34 -4.23 -1.25 -2.35 115.64 108.03 3iiy s THR 416 Ca -0.05 -2.20 -0.05 0.00 -1.18 0.00 0.00 61.69 58.21 3iiy s THR 416 Cb -0.00 -2.37 0.05 0.00 1.34 0.00 0.00 72.50 71.52 3iiy s THR 416 CO 0.01 -0.32 0.24 -0.55 -0.54 0.00 0.00 174.62 173.47 3iiy s SER 417 N -3.31 0.03 0.25 3.99 0.15 0.44 -4.52 113.70 110.72 3iiy s SER 417 Ca 0.28 0.53 -0.19 0.00 0.70 0.00 0.00 55.95 57.27 3iiy s SER 417 Cb -0.06 0.50 -0.08 0.00 -1.71 0.00 0.00 66.02 64.66 3iiy s SER 417 CO 0.15 -0.20 0.74 -0.36 1.20 0.00 0.00 173.24 174.77 3iiy s PHE 418 N 1.74 3.59 0.95 3.44 0.08 -1.26 -0.62 117.98 125.90 3iiy s PHE 418 Ca -0.05 1.37 -0.12 0.00 0.12 0.00 0.00 56.93 58.25 3iiy s PHE 418 Cb -0.11 -2.61 0.16 0.00 -0.57 0.00 0.00 43.02 39.88 3iiy s PHE 418 CO -0.08 0.27 1.09 -1.54 -0.10 0.00 0.00 175.22 174.86 3iiy s SER 419 N -1.79 2.97 0.23 1.36 1.04 -0.38 -4.64 113.70 112.51 3iiy s SER 419 Ca 0.46 1.44 -0.07 0.00 0.48 0.00 0.00 55.95 58.26 3iiy s SER 419 Cb -0.15 -2.12 0.21 0.00 0.10 0.00 0.00 66.02 64.06 3iiy s SER 419 CO 0.20 -2.95 1.86 -0.09 0.98 0.00 0.00 173.24 173.24 3iiy h ARG 420 N -1.76 1.27 0.00 4.02 2.43 -1.92 -2.24 114.38 116.17 3iiy h ARG 420 Ca -0.52 -0.15 0.00 0.00 -0.81 0.00 0.00 59.98 58.51 3iiy h ARG 420 Cb 1.30 -0.25 0.00 0.00 -0.42 0.00 0.00 29.97 30.60 3iiy h ARG 420 CO 0.54 0.92 0.00 -0.40 -1.51 0.00 0.00 179.97 179.53 3iiy n ASP 421 N -4.33 0.00 0.00 -3.80 5.68 -1.26 -4.56 116.55 108.28 3iiy n ASP 421 Ca 0.10 0.40 0.00 0.00 -0.50 0.00 0.00 54.79 54.78 3iiy n ASP 421 Cb 0.10 -0.46 0.00 0.00 -1.14 0.00 0.00 41.12 39.61 3iiy n ASP 421 CO 0.00 0.00 0.00 -1.20 -1.33 0.00 0.00 177.20 174.67 3iiy n SER 422 N -1.46 -3.10 0.12 -1.12 7.64 -0.84 -4.93 113.62 109.91 3iiy n SER 422 Ca 0.08 0.00 0.12 0.00 1.01 0.00 0.00 58.87 60.08 3iiy n SER 422 Cb 0.31 -0.88 0.25 0.00 -1.01 0.00 0.00 64.21 62.88 3iiy n SER 422 CO 0.00 0.00 0.00 0.77 -3.01 0.00 0.00 175.04 172.80 3iiy h SER 423 N 0.00 0.00 -3.85 6.43 4.64 -1.92 -3.45 113.55 115.40 3iiy h SER 423 Ca 0.00 -0.06 -0.52 0.00 -0.47 0.00 0.00 61.79 60.74 3iiy h SER 423 Cb 0.13 0.00 -0.31 0.00 -0.31 0.00 0.00 62.40 61.91 3iiy h SER 423 CO 0.00 0.03 -0.82 -0.63 -0.87 0.00 0.00 176.83 174.54 3iiy s ILE 424 N -3.17 1.20 -0.14 0.95 1.01 -1.26 -0.14 121.20 119.65 3iiy s ILE 424 Ca 0.07 -0.59 0.02 0.00 0.00 0.00 0.00 60.65 60.16 3iiy s ILE 424 Cb 0.11 -1.04 0.01 0.00 0.01 0.00 0.00 42.46 41.54 3iiy s ILE 424 CO 0.67 0.35 -0.21 -0.22 0.00 0.00 0.00 174.94 175.53 3iiy s LEU 425 N 0.12 2.18 -0.14 2.97 2.96 0.04 -1.24 118.68 125.57 3iiy s LEU 425 Ca -0.04 -0.57 -0.01 0.00 -0.22 0.00 0.00 54.13 53.29 3iiy s LEU 425 Cb -0.11 -1.46 -0.02 0.00 0.50 0.00 0.00 46.19 45.10 3iiy s LEU 425 CO 0.02 0.09 -0.09 -0.63 -1.32 0.00 0.00 176.35 174.42 3iiy s ILE 426 N 0.74 3.42 0.01 6.68 -1.09 0.21 -0.89 121.20 130.29 3iiy s ILE 426 Ca -0.08 -0.53 0.05 0.00 -2.23 0.00 0.00 60.65 57.86 3iiy s ILE 426 Cb -0.16 -2.46 -0.03 0.00 -1.58 0.00 0.00 42.46 38.23 3iiy s ILE 426 CO -0.00 0.52 -0.15 0.00 -1.23 0.00 0.00 174.94 174.08 3iiy s ALA 427 N 0.29 2.70 0.13 9.38 0.00 -0.54 -0.42 121.76 133.30 3iiy s ALA 427 Ca -0.07 -1.10 0.08 0.00 0.00 0.00 0.00 51.96 50.87 3iiy s ALA 427 Cb -0.15 -0.88 -0.04 0.00 0.00 0.00 0.00 23.12 22.06 3iiy s ALA 427 CO 0.04 0.58 -0.19 0.14 0.00 0.00 0.00 175.76 176.33 3iiy s VAL 428 N -0.90 1.74 0.28 0.00 -7.23 -0.99 -0.97 120.40 112.34 3iiy s VAL 428 Ca 0.14 -1.72 0.05 0.00 -1.81 0.00 0.00 61.98 58.65 3iiy s VAL 428 Cb -0.11 -1.68 -0.06 0.00 0.56 0.00 0.00 36.38 35.09 3iiy s VAL 428 CO 0.05 -0.20 -0.02 0.00 -0.31 0.00 0.00 175.10 174.62 3iiy h ASP 430 N 2.27 0.00 -0.54 0.00 5.19 -1.37 -1.79 116.42 120.17 3iiy h ASP 430 Ca -0.40 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.01 3iiy h ASP 430 Cb 1.23 0.00 0.00 0.00 0.18 0.00 0.00 39.33 40.74 3iiy h ASP 430 CO 0.68 0.00 0.00 -0.90 -3.12 0.00 0.00 179.24 175.90 3iiy n ASP 431 N -2.57 4.39 0.00 6.45 5.75 -1.26 -2.88 116.55 126.43 3iiy n ASP 431 Ca 0.01 -2.49 0.00 0.00 -0.01 0.00 0.00 54.79 52.31 3iiy n ASP 431 Cb 0.24 -0.57 0.00 0.00 -1.03 0.00 0.00 41.12 39.76 3iiy n ASP 431 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 3iiy n ALA 432 N 0.85 0.00 -1.76 2.12 0.00 -0.93 -4.74 120.51 116.05 3iiy n ALA 432 Ca 0.23 0.00 -0.34 0.00 0.00 0.00 0.00 53.44 53.33 3iiy n ALA 432 Cb 0.85 -0.53 -0.02 0.00 0.00 0.00 0.00 19.45 19.75 3iiy n ALA 432 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.50 175.96 3iiy s SER 433 N -2.28 6.12 -0.05 0.00 1.04 -1.26 -1.88 113.70 115.39 3iiy s SER 433 Ca 0.00 1.91 0.04 0.00 0.48 0.00 0.00 55.95 58.39 3iiy s SER 433 Cb 0.00 -2.55 -0.00 0.00 0.10 0.00 0.00 66.02 63.57 3iiy s SER 433 CO 0.00 -0.94 -0.18 -0.63 0.98 0.00 0.00 173.24 172.47 3iiy s ILE 434 N -2.11 1.51 -0.10 -1.02 1.01 0.26 -1.76 121.20 118.98 3iiy s ILE 434 Ca 0.67 -0.75 0.03 0.00 0.00 0.00 0.00 60.65 60.60 3iiy s ILE 434 Cb -0.17 -1.30 0.01 0.00 0.01 0.00 0.00 42.46 41.01 3iiy s ILE 434 CO 0.26 0.43 -0.20 0.26 0.00 0.00 0.00 174.94 175.69 3iiy s TRP 435 N 0.13 2.28 -0.22 3.97 0.52 -0.14 -0.95 118.94 124.53 3iiy s TRP 435 Ca -0.07 -0.99 -0.03 0.00 0.02 0.00 0.00 56.10 55.03 3iiy s TRP 435 Cb -0.13 -1.56 -0.00 0.00 -1.15 0.00 0.00 33.47 30.62 3iiy s TRP 435 CO 0.03 -0.43 -0.06 0.50 0.02 0.00 0.00 176.95 177.01 3iiy s ARG 436 N 0.58 3.32 -0.21 4.98 3.52 -0.37 -1.47 118.95 129.29 3iiy s ARG 436 Ca -0.14 -0.66 -0.03 0.00 -0.13 0.00 0.00 55.73 54.77 3iiy s ARG 436 Cb -0.17 -2.97 -0.00 0.00 -1.56 0.00 0.00 34.95 30.25 3iiy s ARG 436 CO 0.05 -0.21 -0.07 -1.58 -0.81 0.00 0.00 175.30 172.67 3iiy s TRP 437 N 1.46 2.92 -0.12 5.12 0.52 -0.06 -1.58 118.94 127.19 3iiy s TRP 437 Ca 0.05 -1.05 -0.08 0.00 0.02 0.00 0.00 56.10 55.05 3iiy s TRP 437 Cb -0.14 -2.07 -0.04 0.00 -1.15 0.00 0.00 33.47 30.07 3iiy s TRP 437 CO -0.04 -0.58 0.15 -0.51 0.02 0.00 0.00 176.95 175.99 3iiy s ASP 438 N 1.42 6.39 -0.02 2.95 1.11 0.53 -0.78 116.67 128.27 3iiy s ASP 438 Ca 0.05 0.47 -0.30 0.00 0.18 0.00 0.00 52.55 52.95 3iiy s ASP 438 Cb -0.14 -2.08 -0.04 0.00 1.07 0.00 0.00 42.92 41.73 3iiy s ASP 438 CO -0.05 0.38 1.13 -0.60 1.18 0.00 0.00 175.17 177.22 3iiy s ARG 439 N -0.87 4.42 0.00 8.23 6.06 0.81 -0.85 118.95 136.74 3iiy s ARG 439 Ca 0.15 1.62 0.28 0.00 -2.50 0.00 0.00 55.73 55.28 3iiy s ARG 439 Cb -0.12 -3.48 1.11 0.00 0.06 0.00 0.00 34.95 32.53 3iiy s ARG 439 CO 0.04 -0.30 1.78 1.28 -2.50 0.00 0.00 175.30 175.60