#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3iax s SER 33 N 0.00 3.28 0.85 1.67 0.01 -1.26 -4.86 113.70 113.39 3iax s SER 33 Ca 0.00 -1.03 -0.11 0.00 1.31 0.00 0.00 55.95 56.12 3iax s SER 33 Cb 0.00 -0.25 0.10 0.00 0.21 0.00 0.00 66.02 66.08 3iax s SER 33 CO 0.00 -0.03 1.09 -0.83 0.41 0.00 0.00 173.24 173.89 3iax s GLY 34 N -3.45 1.64 0.08 3.44 0.00 -1.25 -4.89 107.32 102.88 3iax s GLY 34 Ca 0.28 0.05 -0.35 0.00 0.00 0.00 0.00 44.72 44.69 3iax s GLY 34 CO 0.12 0.49 1.53 -2.13 0.00 0.00 0.00 173.10 173.11 3iax n ARG 35 N -3.75 1.72 -1.83 2.90 0.63 0.06 -2.75 116.66 113.63 3iax n ARG 35 Ca 0.08 0.62 -0.41 0.00 -0.92 0.00 0.00 57.85 57.22 3iax n ARG 35 Cb 0.54 -2.35 -0.01 0.00 0.45 0.00 0.00 32.46 31.10 3iax n ARG 35 CO 0.00 0.00 0.00 -2.14 -2.51 0.00 0.00 177.63 172.98 3iax s PRO 36 N 1.21 4.14 -0.16 -0.14 0.02 -1.26 -1.12 135.00 137.68 3iax s PRO 36 Ca 0.83 2.54 -0.16 0.00 0.02 0.00 0.00 61.00 64.23 3iax s PRO 36 Cb -0.81 -2.99 0.04 0.00 0.02 0.00 0.00 34.50 30.77 3iax s PRO 36 CO 0.44 -0.51 0.46 -1.50 -0.33 0.00 0.00 177.00 175.56 3iax s ILE 37 N -0.97 0.00 -0.23 2.83 2.07 -1.10 -4.50 121.20 119.30 3iax s ILE 37 Ca 0.54 -0.03 -0.14 0.00 -1.41 0.00 0.00 60.65 59.60 3iax s ILE 37 Cb -0.46 -0.65 -0.04 0.00 0.13 0.00 0.00 42.46 41.43 3iax s ILE 37 CO 0.60 -0.02 0.31 -0.83 -1.91 0.00 0.00 174.94 173.09 3iax s GLY 38 N 0.08 2.01 -0.28 1.50 0.00 -1.06 -0.62 107.32 108.94 3iax s GLY 38 Ca -0.01 -0.72 -0.04 0.00 0.00 0.00 0.00 44.72 43.95 3iax s GLY 38 CO 0.01 0.71 0.02 0.14 0.00 0.00 0.00 173.10 173.98 3iax s VAL 39 N 1.41 3.40 0.01 1.40 1.01 -1.26 -0.76 120.40 125.61 3iax s VAL 39 Ca 0.14 -0.96 -0.22 0.00 0.00 0.00 0.00 61.98 60.94 3iax s VAL 39 Cb -0.15 -2.79 -0.05 0.00 0.00 0.00 0.00 36.38 33.39 3iax s VAL 39 CO 0.07 0.07 0.64 -0.69 0.00 0.00 0.00 175.10 175.20 3iax s VAL 40 N 1.39 4.86 0.17 2.92 1.01 0.23 -4.89 120.40 126.09 3iax s VAL 40 Ca 0.00 1.36 -0.32 0.00 0.00 0.00 0.00 61.98 63.01 3iax s VAL 40 Cb -0.18 -3.98 -0.16 0.00 0.00 0.00 0.00 36.38 32.06 3iax s VAL 40 CO -0.01 0.40 1.08 -2.65 0.00 0.00 0.00 175.10 173.92 3iax n PRO 41 N 2.77 0.99 -2.56 2.72 -0.02 -1.26 -4.57 135.00 133.06 3iax n PRO 41 Ca -0.05 0.35 -0.33 0.00 -2.02 0.00 0.00 63.50 61.44 3iax n PRO 41 Cb 0.51 -1.79 -0.04 0.00 -0.02 0.00 0.00 33.50 32.16 3iax n PRO 41 CO 0.00 0.00 0.00 -0.06 1.98 0.00 0.00 175.50 177.42 3iax s PHE 42 N -0.35 3.13 0.02 6.00 0.40 -1.26 -4.71 117.98 121.20 3iax s PHE 42 Ca 0.72 1.57 -0.30 0.00 -0.60 0.00 0.00 56.93 58.32 3iax s PHE 42 Cb -0.87 -2.97 -0.04 0.00 0.51 0.00 0.00 43.02 39.64 3iax s PHE 42 CO 0.54 -0.61 1.12 -1.14 0.70 0.00 0.00 175.22 175.83 3iax s GLN 43 N -3.37 4.46 -0.23 0.44 0.74 0.19 -4.84 119.66 117.04 3iax s GLN 43 Ca 0.65 1.63 -0.01 0.00 0.05 0.00 0.00 55.36 57.67 3iax s GLN 43 Cb -0.14 -3.42 0.02 0.00 1.10 0.00 0.00 33.01 30.58 3iax s GLN 43 CO 0.21 -0.21 -0.10 -0.46 -0.55 0.00 0.00 175.29 174.18 3iax s TRP 44 N 1.22 3.00 -0.73 1.67 -0.00 -1.26 -0.04 118.94 122.80 3iax s TRP 44 Ca 0.56 -1.56 -0.16 0.00 -0.00 0.00 0.00 56.10 54.93 3iax s TRP 44 Cb -0.26 -2.02 0.16 0.00 -0.00 0.00 0.00 33.47 31.35 3iax s TRP 44 CO 0.27 -0.74 0.76 0.00 -0.00 0.00 0.00 176.95 177.24 3iax s ALA 45 N 1.32 3.72 0.00 5.86 0.00 -1.05 -4.99 121.76 126.62 3iax s ALA 45 Ca 0.01 -2.81 0.00 0.00 0.00 0.00 0.00 51.96 49.16 3iax s ALA 45 Cb -0.16 -3.56 0.00 0.00 0.00 0.00 0.00 23.12 19.41 3iax s ALA 45 CO -0.06 -2.36 0.00 0.41 0.00 0.00 0.00 175.76 173.75 3iax n GLY 46 N 4.78 0.08 3.47 0.00 0.00 -1.26 -4.45 105.19 107.82 3iax n GLY 46 Ca 0.04 -1.43 -0.63 0.00 0.00 0.00 0.00 46.02 44.00 3iax n GLY 46 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 3iax n PRO 47 N 0.00 0.00 0.00 1.61 -0.02 -1.26 -4.66 135.00 130.67 3iax n PRO 47 Ca 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.48 3iax n PRO 47 Cb 0.00 -1.48 0.00 0.00 -0.02 0.00 0.00 33.50 32.00 3iax n PRO 47 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3iax n GLY 48 N 5.47 2.63 3.90 -1.23 0.00 -1.26 -4.51 105.19 110.20 3iax n GLY 48 Ca 0.41 0.14 -0.31 0.00 0.00 0.00 0.00 46.02 46.26 3iax n GLY 48 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3iax s ALA 49 N -1.09 3.82 0.71 4.61 0.00 -1.26 -5.07 121.76 123.48 3iax s ALA 49 Ca 0.00 -0.62 -0.16 0.00 0.00 0.00 0.00 51.96 51.18 3iax s ALA 49 Cb 0.00 -2.08 -0.04 0.00 0.00 0.00 0.00 23.12 21.00 3iax s ALA 49 CO 0.00 0.66 0.55 0.00 0.00 0.00 0.00 175.76 176.97 3iax n ALA 50 N 0.01 -1.43 0.29 0.00 0.00 -1.26 -4.90 120.51 113.22 3iax n ALA 50 Ca -0.03 -0.22 0.14 0.00 0.00 0.00 0.00 53.44 53.33 3iax n ALA 50 Cb 0.52 -1.86 0.40 0.00 0.00 0.00 0.00 19.45 18.50 3iax n ALA 50 CO 0.00 0.00 0.00 -1.00 0.00 0.00 0.00 177.50 176.50 3iax h PRO 51 N -0.32 0.00 -2.74 0.00 0.13 -1.98 -3.44 132.00 123.64 3iax h PRO 51 Ca -0.46 0.00 -0.11 0.00 -0.87 0.00 0.00 66.00 64.57 3iax h PRO 51 Cb 1.35 0.00 -0.22 0.00 0.13 0.00 0.00 31.00 32.27 3iax h PRO 51 CO 0.43 0.00 -0.19 -2.00 -0.23 0.00 0.00 178.00 176.01 3iax s GLU 52 N -3.37 0.64 -1.11 0.86 2.56 -1.26 -5.09 118.70 111.93 3iax s GLU 52 Ca 0.05 0.24 -0.18 0.00 0.00 0.00 0.00 54.97 55.07 3iax s GLU 52 Cb 0.07 0.30 0.11 0.00 2.00 0.00 0.00 34.13 36.61 3iax s GLU 52 CO 0.60 -0.14 1.43 0.34 -0.56 0.00 0.00 175.26 176.93 3iax s ASP 53 N -0.58 6.76 0.24 -1.70 -1.08 -1.26 -4.85 116.67 114.19 3iax s ASP 53 Ca -0.07 -2.23 -0.06 0.00 -0.52 0.00 0.00 52.55 49.67 3iax s ASP 53 Cb -0.04 -2.48 0.24 0.00 -1.46 0.00 0.00 42.92 39.18 3iax s ASP 53 CO 0.03 -1.12 1.82 0.40 0.52 0.00 0.00 175.17 176.82 3iax h ILE 54 N 5.72 1.25 0.00 4.11 1.08 -1.95 -1.20 117.51 126.52 3iax h ILE 54 Ca 0.28 -0.75 0.00 0.00 -0.39 0.00 0.00 64.86 64.00 3iax h ILE 54 Cb 0.95 0.29 0.00 0.00 -3.07 0.00 0.00 36.82 34.98 3iax h ILE 54 CO 1.30 0.31 0.00 1.23 -0.69 0.00 0.00 178.15 180.31 3iax h GLY 55 N 1.15 0.00 1.07 5.37 0.00 -1.89 -2.24 103.07 106.53 3iax h GLY 55 Ca 0.26 0.00 -0.19 0.00 0.00 0.00 0.00 47.33 47.40 3iax h GLY 55 CO -0.03 0.00 -0.64 -1.33 0.00 0.00 0.00 176.54 174.54 3iax h GLY 56 N 2.70 0.79 1.00 4.60 0.00 -1.60 -1.76 103.07 108.80 3iax h GLY 56 Ca 0.00 -1.07 0.00 0.00 0.00 0.00 0.00 47.33 46.26 3iax h GLY 56 CO 0.00 0.96 0.02 -2.22 0.00 0.00 0.00 176.54 175.30 3iax h ILE 57 N 0.42 1.01 -0.78 2.60 2.04 -1.16 -0.17 117.51 121.47 3iax h ILE 57 Ca -0.03 -0.02 -0.03 0.00 1.00 0.00 0.00 64.86 65.78 3iax h ILE 57 Cb 1.27 0.96 -0.04 0.00 -0.74 0.00 0.00 36.82 38.28 3iax h ILE 57 CO 0.13 0.01 0.37 0.58 0.00 0.00 0.00 178.15 179.25 3iax h VAL 58 N 0.04 1.25 -0.33 1.67 2.07 -1.43 -0.63 116.25 118.88 3iax h VAL 58 Ca 0.01 -0.69 -0.02 0.00 0.82 0.00 0.00 66.70 66.81 3iax h VAL 58 Cb -0.00 0.27 -0.01 0.00 -1.52 0.00 0.00 31.29 30.02 3iax h VAL 58 CO -0.00 0.29 0.11 0.00 0.02 0.00 0.00 177.57 177.99 3iax h ALA 59 N 1.19 0.43 -0.28 1.67 0.00 -1.13 -2.71 119.26 118.43 3iax h ALA 59 Ca 0.27 -0.15 -0.17 0.00 0.00 0.00 0.00 54.91 54.85 3iax h ALA 59 Cb 0.12 -0.13 -0.00 0.00 0.00 0.00 0.00 17.79 17.78 3iax h ALA 59 CO -0.03 0.06 -0.50 0.00 0.00 0.00 0.00 179.25 178.77 3iax h ALA 60 N 0.95 0.57 -0.09 0.00 0.00 -0.71 -1.05 119.26 118.93 3iax h ALA 60 Ca 0.11 -0.50 0.01 0.00 0.00 0.00 0.00 54.91 54.53 3iax h ALA 60 Cb 0.24 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 17.93 3iax h ALA 60 CO -0.00 0.68 0.04 -0.44 0.00 0.00 0.00 179.25 179.52 3iax h ASP 61 N 0.62 0.05 -0.14 0.00 3.32 -1.19 0.88 116.42 119.96 3iax h ASP 61 Ca 0.02 0.01 -0.11 0.00 0.02 0.00 0.00 57.03 56.97 3iax h ASP 61 Cb 1.09 -0.00 -0.01 0.00 0.22 0.00 0.00 39.33 40.62 3iax h ASP 61 CO 0.11 0.05 -0.29 -0.07 -1.72 0.00 0.00 179.24 177.32 3iax h LEU 62 N 0.09 0.64 -0.24 1.55 3.38 -1.31 -2.55 115.31 116.87 3iax h LEU 62 Ca 0.04 -0.24 -0.03 0.00 0.09 0.00 0.00 57.88 57.74 3iax h LEU 62 Cb 0.01 -0.17 -0.01 0.00 0.09 0.00 0.00 40.66 40.58 3iax h LEU 62 CO -0.03 0.89 0.04 -0.09 0.09 0.00 0.00 178.44 179.34 3iax h ARG 63 N 0.53 0.39 -1.18 1.13 2.43 -1.04 -3.10 114.38 113.55 3iax h ARG 63 Ca 0.07 -0.10 0.33 0.00 -0.81 0.00 0.00 59.98 59.47 3iax h ARG 63 Cb 0.76 -0.05 -0.07 0.00 -0.42 0.00 0.00 29.97 30.20 3iax h ARG 63 CO 0.06 0.52 0.81 -0.91 -1.51 0.00 0.00 179.97 178.95 3iax h ASN 64 N 0.20 0.18 1.14 -3.80 2.35 -0.40 -2.05 115.58 113.20 3iax h ASN 64 Ca 0.07 0.04 0.00 0.00 -0.55 0.00 0.00 56.30 55.86 3iax h ASN 64 Cb 0.32 0.02 0.00 0.00 0.05 0.00 0.00 38.32 38.71 3iax h ASN 64 CO 0.00 0.01 0.00 -1.54 -1.65 0.00 0.00 177.43 174.26 3iax n SER 65 N -4.38 0.53 0.00 5.81 3.41 -1.12 -4.37 113.62 113.51 3iax n SER 65 Ca 0.27 0.57 0.00 0.00 -0.26 0.00 0.00 58.87 59.45 3iax n SER 65 Cb 1.17 -0.71 0.00 0.00 -0.26 0.00 0.00 64.21 64.41 3iax n SER 65 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3iax n GLY 66 N 0.99 2.64 0.14 5.00 0.00 -0.77 -4.64 105.19 108.55 3iax n GLY 66 Ca 0.05 0.00 0.03 0.00 0.00 0.00 0.00 46.02 46.11 3iax n GLY 66 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3iax h LYS 67 N 2.07 0.00 -4.81 1.61 1.57 -1.80 -3.34 116.57 111.88 3iax h LYS 67 Ca 0.00 0.00 -0.39 0.00 -1.87 0.00 0.00 60.65 58.39 3iax h LYS 67 Cb 0.00 0.00 -0.27 0.00 0.08 0.00 0.00 32.23 32.04 3iax h LYS 67 CO 0.00 0.39 -0.78 -0.06 -0.57 0.00 0.00 179.45 178.43 3iax s PHE 68 N -3.00 0.86 -0.62 -1.35 0.40 -1.20 -0.76 117.98 112.30 3iax s PHE 68 Ca 0.03 -0.22 -0.02 0.00 -0.60 0.00 0.00 56.93 56.11 3iax s PHE 68 Cb 0.08 -0.54 0.16 0.00 0.51 0.00 0.00 43.02 43.23 3iax s PHE 68 CO 0.75 -0.01 0.43 1.21 0.70 0.00 0.00 175.22 178.30 3iax s ASN 69 N -0.52 5.18 0.23 1.36 3.04 -0.28 -3.83 114.94 120.12 3iax s ASN 69 Ca 0.02 -2.89 -0.31 0.00 0.04 0.00 0.00 52.86 49.72 3iax s ASN 69 Cb -0.05 -1.84 -0.11 0.00 -1.54 0.00 0.00 41.25 37.71 3iax s ASN 69 CO 0.00 -0.35 1.60 -2.84 -3.04 0.00 0.00 177.10 172.47 3iax s PRO 70 N -0.12 4.17 0.23 0.43 0.02 -1.26 -2.71 135.00 135.77 3iax s PRO 70 Ca 0.17 2.49 -0.30 0.00 0.02 0.00 0.00 61.00 63.38 3iax s PRO 70 Cb -0.20 -3.08 -0.10 0.00 0.02 0.00 0.00 34.50 31.13 3iax s PRO 70 CO -0.03 -0.63 1.52 -1.17 -0.33 0.00 0.00 177.00 176.35 3iax s LEU 71 N 0.40 4.37 0.33 -5.54 2.96 0.20 -4.91 118.68 116.50 3iax s LEU 71 Ca 0.68 2.72 -0.28 0.00 -0.22 0.00 0.00 54.13 57.03 3iax s LEU 71 Cb -0.46 -3.62 -0.13 0.00 0.50 0.00 0.00 46.19 42.48 3iax s LEU 71 CO 0.39 -0.79 1.17 -0.67 -1.32 0.00 0.00 176.35 175.12 3iax n ASP 72 N 2.78 2.12 -0.21 3.68 2.03 -1.26 -4.63 116.55 121.06 3iax n ASP 72 Ca 0.09 1.18 0.00 0.00 0.52 0.00 0.00 54.79 56.58 3iax n ASP 72 Cb 0.39 -1.41 0.24 0.00 -0.72 0.00 0.00 41.12 39.62 3iax n ASP 72 CO 0.00 0.00 0.00 -0.09 -1.92 0.00 0.00 177.20 175.19 3iax h ARG 73 N 2.25 0.98 0.00 -0.67 2.43 -1.91 -1.19 114.38 116.27 3iax h ARG 73 Ca -0.44 -0.07 -0.03 0.00 -0.81 0.00 0.00 59.98 58.63 3iax h ARG 73 Cb 1.31 -0.21 -0.00 0.00 -0.42 0.00 0.00 29.97 30.64 3iax h ARG 73 CO 0.61 0.67 -0.16 0.00 -1.51 0.00 0.00 179.97 179.58 3iax h ALA 74 N 1.50 1.36 -0.43 2.80 0.00 -2.00 -2.98 119.26 119.50 3iax h ALA 74 Ca 0.26 -0.14 0.00 0.00 0.00 0.00 0.00 54.91 55.03 3iax h ALA 74 Cb -0.07 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 17.70 3iax h ALA 74 CO -0.05 0.20 0.00 0.54 0.00 0.00 0.00 179.25 179.94 3iax n ARG 75 N -3.80 2.07 -2.22 0.00 1.74 -0.45 -4.94 116.66 109.07 3iax n ARG 75 Ca -0.02 -1.66 -0.41 0.00 -0.77 0.00 0.00 57.85 54.99 3iax n ARG 75 Cb 0.26 -1.38 -0.03 0.00 -1.02 0.00 0.00 32.46 30.30 3iax n ARG 75 CO 0.00 0.00 0.00 -0.51 -1.52 0.00 0.00 177.63 175.60 3iax s LEU 76 N -1.09 4.43 0.46 0.55 1.02 -1.13 -4.93 118.68 117.99 3iax s LEU 76 Ca 0.32 2.45 0.27 0.00 0.02 0.00 0.00 54.13 57.19 3iax s LEU 76 Cb 0.17 -3.62 0.75 0.00 0.02 0.00 0.00 46.19 43.51 3iax s LEU 76 CO 0.22 -0.50 1.76 1.55 0.02 0.00 0.00 176.35 179.40 3iax h PRO 77 N 4.85 0.00 -1.84 1.29 0.13 -1.92 -3.45 132.00 131.05 3iax h PRO 77 Ca -0.46 0.00 -0.00 0.00 -0.87 0.00 0.00 66.00 64.67 3iax h PRO 77 Cb 1.22 0.00 -0.22 0.00 0.13 0.00 0.00 31.00 32.12 3iax h PRO 77 CO 0.74 0.00 0.27 1.14 -0.23 0.00 0.00 178.00 179.92 3iax s GLN 78 N -3.37 0.76 -0.98 0.86 -2.07 -1.26 -5.07 119.66 108.53 3iax s GLN 78 Ca 0.05 0.66 -0.04 0.00 -1.82 0.00 0.00 55.36 54.22 3iax s GLN 78 Cb 0.07 0.37 0.26 0.00 -1.09 0.00 0.00 33.01 32.61 3iax s GLN 78 CO 0.61 -0.14 1.01 0.94 -1.32 0.00 0.00 175.29 176.39 3iax n GLN 79 N 2.03 3.23 -2.43 9.60 7.27 -1.26 -4.98 117.38 130.84 3iax n GLN 79 Ca -0.14 -4.50 -0.39 0.00 0.07 0.00 0.00 57.00 52.04 3iax n GLN 79 Cb 0.56 -2.46 -0.04 0.00 2.41 0.00 0.00 30.24 30.71 3iax n GLN 79 CO 0.00 0.00 0.00 -2.14 0.07 0.00 0.00 177.06 174.99 3iax s PRO 80 N -1.66 4.37 0.00 3.69 0.01 -1.26 -4.94 135.00 135.21 3iax s PRO 80 Ca 0.30 1.76 0.16 0.00 0.01 0.00 0.00 61.00 63.23 3iax s PRO 80 Cb -0.05 -2.90 0.04 0.00 0.01 0.00 0.00 34.50 31.61 3iax s PRO 80 CO -0.07 -0.02 0.89 0.41 0.01 0.00 0.00 177.00 178.23 3iax n GLY 81 N 0.83 0.03 3.73 0.52 0.00 -1.26 -4.74 105.19 104.29 3iax n GLY 81 Ca 0.02 -0.45 -0.10 0.00 0.00 0.00 0.00 46.02 45.49 3iax n GLY 81 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3iax s SER 82 N -1.64 0.13 0.63 1.61 1.04 -1.26 -4.62 113.70 109.60 3iax s SER 82 Ca 0.15 -1.10 0.39 0.00 0.48 0.00 0.00 55.95 55.88 3iax s SER 82 Cb 0.13 0.76 2.16 0.00 0.10 0.00 0.00 66.02 69.17 3iax s SER 82 CO 0.32 -1.49 2.30 0.00 0.98 0.00 0.00 173.24 175.35 3iax h ALA 83 N 2.05 1.15 0.00 5.32 0.00 -1.94 -2.85 119.26 122.99 3iax h ALA 83 Ca -0.28 -0.01 -0.13 0.00 0.00 0.00 0.00 54.91 54.49 3iax h ALA 83 Cb 1.25 -0.00 -0.02 0.00 0.00 0.00 0.00 17.79 19.01 3iax h ALA 83 CO 0.36 0.01 -1.88 1.04 0.00 0.00 0.00 179.25 178.78 3iax n GLN 84 N -3.31 0.65 -0.22 0.00 6.02 -1.26 -4.08 117.38 115.19 3iax n GLN 84 Ca -0.03 -0.03 0.01 0.00 -0.01 0.00 0.00 57.00 56.94 3iax n GLN 84 Cb 0.10 -1.61 0.09 0.00 1.02 0.00 0.00 30.24 29.84 3iax n GLN 84 CO 0.00 0.00 0.00 0.39 -1.01 0.00 0.00 177.06 176.44 3iax n GLU 85 N -2.56 1.84 -4.07 -1.09 1.02 -1.08 -4.81 120.64 109.89 3iax n GLU 85 Ca -0.12 -0.73 -0.35 0.00 -0.02 0.00 0.00 57.16 55.94 3iax n GLU 85 Cb 0.78 -1.63 -0.11 0.00 -0.02 0.00 0.00 31.44 30.46 3iax n GLU 85 CO 0.00 0.00 0.00 0.08 1.18 0.00 0.00 177.13 178.39 3iax s VAL 86 N -1.34 4.53 -0.55 2.62 1.01 -1.25 -4.38 120.40 121.04 3iax s VAL 86 Ca 0.13 -0.12 -0.13 0.00 0.00 0.00 0.00 61.98 61.85 3iax s VAL 86 Cb 0.10 -3.04 0.14 0.00 0.00 0.00 0.00 36.38 33.57 3iax s VAL 86 CO 0.04 0.45 0.48 -1.58 0.00 0.00 0.00 175.10 174.49 3iax s GLN 87 N 0.52 2.90 0.30 2.72 0.74 -1.26 -4.93 119.66 120.65 3iax s GLN 87 Ca 0.02 -1.83 0.06 0.00 0.05 0.00 0.00 55.36 53.66 3iax s GLN 87 Cb -0.13 -4.19 0.77 0.00 1.10 0.00 0.00 33.01 30.55 3iax s GLN 87 CO 0.01 -1.28 1.74 -1.35 -0.55 0.00 0.00 175.29 173.86 3iax h PRO 88 N 8.60 0.60 0.18 1.67 0.11 -1.94 -2.21 132.00 139.02 3iax h PRO 88 Ca -0.22 -0.04 0.01 0.00 0.11 0.00 0.00 66.00 65.86 3iax h PRO 88 Cb 1.08 -0.14 -0.04 0.00 0.11 0.00 0.00 31.00 32.02 3iax h PRO 88 CO 0.95 0.40 -0.42 0.00 -0.21 0.00 0.00 178.00 178.72 3iax h ALA 89 N 1.68 -0.78 -0.95 -0.75 0.00 -1.93 0.14 119.26 116.68 3iax h ALA 89 Ca 0.59 -0.09 0.29 0.00 0.00 0.00 0.00 54.91 55.70 3iax h ALA 89 Cb 1.02 0.67 -0.16 0.00 0.00 0.00 0.00 17.79 19.32 3iax h ALA 89 CO -0.44 -1.00 0.23 0.00 0.00 0.00 0.00 179.25 178.04 3iax h ALA 90 N -0.24 1.44 0.11 0.00 0.00 -1.83 -0.28 119.26 118.45 3iax h ALA 90 Ca 0.01 0.28 -0.21 0.00 0.00 0.00 0.00 54.91 54.99 3iax h ALA 90 Cb 0.69 0.42 0.00 0.00 0.00 0.00 0.00 17.79 18.90 3iax h ALA 90 CO -0.20 -0.61 -1.02 -1.49 0.00 0.00 0.00 179.25 175.93 3iax h TRP 91 N 0.10 0.41 -0.52 0.00 4.06 -1.29 -3.34 115.95 115.36 3iax h TRP 91 Ca 0.64 -0.30 0.08 0.00 2.06 0.00 0.00 58.89 61.37 3iax h TRP 91 Cb 1.40 -0.02 -0.07 0.00 -1.00 0.00 0.00 29.16 29.48 3iax h TRP 91 CO -0.29 1.40 0.15 0.77 -3.56 0.00 0.00 178.44 176.90 3iax h SER 92 N -0.45 0.09 0.00 -3.49 0.02 -0.42 -0.36 113.55 108.94 3iax h SER 92 Ca -0.21 0.08 0.00 0.00 -0.84 0.00 0.00 61.79 60.82 3iax h SER 92 Cb 1.60 0.09 0.00 0.00 0.14 0.00 0.00 62.40 64.24 3iax h SER 92 CO 0.07 0.07 0.33 0.00 -1.14 0.00 0.00 176.83 176.17 3iax h ALA 93 N 1.38 1.28 -0.29 3.77 0.00 -1.18 0.88 119.26 125.10 3iax h ALA 93 Ca 0.26 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.17 3iax h ALA 93 Cb 0.33 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.12 3iax h ALA 93 CO -0.31 -0.28 0.00 1.28 0.00 0.00 0.00 179.25 179.95 3iax n LEU 94 N -2.38 2.76 0.00 0.00 4.77 -0.17 -4.96 117.00 117.01 3iax n LEU 94 Ca -0.01 -1.94 0.00 0.00 -0.03 0.00 0.00 56.01 54.03 3iax n LEU 94 Cb 0.36 -0.19 0.00 0.00 -2.33 0.00 0.00 43.42 41.26 3iax n LEU 94 CO 0.08 0.68 0.00 0.61 -1.33 0.00 0.00 177.39 177.44 3iax n GLY 95 N 0.41 0.58 3.34 -0.72 0.00 0.30 -5.04 105.19 104.07 3iax n GLY 95 Ca 0.10 -0.49 -0.37 0.00 0.00 0.00 0.00 46.02 45.27 3iax n GLY 95 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3iax s ILE 96 N -2.00 3.87 -1.95 -0.61 1.01 -1.03 -4.67 121.20 115.82 3iax s ILE 96 Ca 0.00 -0.61 0.19 0.00 0.00 0.00 0.00 60.65 60.22 3iax s ILE 96 Cb 0.00 -2.94 0.37 0.00 0.01 0.00 0.00 42.46 39.90 3iax s ILE 96 CO 0.00 0.17 1.30 -0.90 0.00 0.00 0.00 174.94 175.51 3iax n ASP 97 N 4.85 3.17 -3.77 3.58 5.75 -1.26 -3.30 116.55 125.58 3iax n ASP 97 Ca -0.15 -1.91 -0.13 0.00 -0.01 0.00 0.00 54.79 52.59 3iax n ASP 97 Cb 0.49 -0.23 -0.12 0.00 -1.03 0.00 0.00 41.12 40.23 3iax n ASP 97 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 3iax s ALA 98 N -1.26 -0.68 -0.02 2.12 0.00 -1.26 -1.09 121.76 119.57 3iax s ALA 98 Ca 0.32 0.84 0.06 0.00 0.00 0.00 0.00 51.96 53.19 3iax s ALA 98 Cb 0.19 -0.50 -0.01 0.00 0.00 0.00 0.00 23.12 22.80 3iax s ALA 98 CO 0.26 -0.15 -0.21 0.08 0.00 0.00 0.00 175.76 175.74 3iax s VAL 99 N 0.36 1.67 -0.24 0.00 1.01 0.12 -2.55 120.40 120.76 3iax s VAL 99 Ca -0.02 -0.90 -0.07 0.00 0.00 0.00 0.00 61.98 61.00 3iax s VAL 99 Cb -0.03 -1.40 -0.03 0.00 0.00 0.00 0.00 36.38 34.92 3iax s VAL 99 CO -0.01 0.47 0.05 -0.69 0.00 0.00 0.00 175.10 174.92 3iax s VAL 100 N -0.42 4.19 0.17 2.92 1.01 0.06 0.19 120.40 128.52 3iax s VAL 100 Ca 0.06 -0.21 0.08 0.00 0.00 0.00 0.00 61.98 61.91 3iax s VAL 100 Cb -0.09 -2.95 -0.04 0.00 0.00 0.00 0.00 36.38 33.30 3iax s VAL 100 CO -0.00 0.36 -0.18 0.68 0.00 0.00 0.00 175.10 175.96 3iax s VAL 101 N 1.49 1.81 0.31 2.92 -7.23 -0.82 -0.60 120.40 118.28 3iax s VAL 101 Ca 0.06 -1.95 -0.17 0.00 -1.81 0.00 0.00 61.98 58.11 3iax s VAL 101 Cb -0.15 -1.87 0.03 0.00 0.56 0.00 0.00 36.38 34.95 3iax s VAL 101 CO 0.03 -0.35 0.68 -0.83 -0.31 0.00 0.00 175.10 174.32 3iax s GLY 102 N -2.74 0.28 0.05 2.32 0.00 -1.26 0.02 107.32 105.99 3iax s GLY 102 Ca 0.16 -0.63 0.05 0.00 0.00 0.00 0.00 44.72 44.30 3iax s GLY 102 CO 0.07 -0.32 -0.13 1.20 0.00 0.00 0.00 173.10 173.92 3iax s GLN 103 N -3.37 0.84 -0.16 2.90 1.11 0.44 -0.64 119.66 120.79 3iax s GLN 103 Ca 0.16 -0.83 -0.03 0.00 0.01 0.00 0.00 55.36 54.67 3iax s GLN 103 Cb -0.04 -0.83 0.05 0.00 -1.01 0.00 0.00 33.01 31.17 3iax s GLN 103 CO 0.10 0.20 0.03 0.08 0.01 0.00 0.00 175.29 175.70 3iax s VAL 104 N -1.05 0.43 0.10 1.09 1.01 0.94 -0.52 120.40 122.39 3iax s VAL 104 Ca -0.01 -0.32 0.08 0.00 0.00 0.00 0.00 61.98 61.73 3iax s VAL 104 Cb -0.09 -0.85 -0.03 0.00 0.00 0.00 0.00 36.38 35.41 3iax s VAL 104 CO 0.02 -0.07 -0.21 0.42 0.00 0.00 0.00 175.10 175.25 3iax s THR 105 N 1.92 1.76 0.29 3.92 -4.23 -0.17 -2.54 115.64 116.58 3iax s THR 105 Ca 0.01 -1.51 0.00 0.00 -1.18 0.00 0.00 61.69 59.01 3iax s THR 105 Cb -0.16 -1.58 -0.04 0.00 1.34 0.00 0.00 72.50 72.07 3iax s THR 105 CO -0.07 -0.00 0.49 -2.16 -0.54 0.00 0.00 174.62 172.34 3iax s PRO 106 N -1.81 3.51 -0.10 3.99 0.04 -1.26 -0.69 135.00 138.68 3iax s PRO 106 Ca 0.07 -0.34 0.01 0.00 0.04 0.00 0.00 61.00 60.78 3iax s PRO 106 Cb -0.10 -2.73 0.02 0.00 0.04 0.00 0.00 34.50 31.73 3iax s PRO 106 CO 0.04 0.25 -0.13 -0.80 0.04 0.00 0.00 177.00 176.40 3iax s ASN 107 N -3.72 2.24 0.31 6.66 0.01 -0.68 -4.89 114.94 114.86 3iax s ASN 107 Ca 0.39 -0.37 0.25 0.00 -0.71 0.00 0.00 52.86 52.42 3iax s ASN 107 Cb -0.10 -0.98 1.02 0.00 0.41 0.00 0.00 41.25 41.60 3iax s ASN 107 CO 0.33 -0.01 1.00 -2.65 -1.51 0.00 0.00 177.10 174.26 3iax n PRO 108 N 4.30 -0.01 0.00 -0.60 -0.02 -1.26 0.27 135.00 137.68 3iax n PRO 108 Ca -0.18 0.76 0.00 0.00 -2.02 0.00 0.00 63.50 62.06 3iax n PRO 108 Cb 0.51 -1.59 0.00 0.00 -0.02 0.00 0.00 33.50 32.40 3iax n PRO 108 CO 0.00 0.00 0.00 -3.47 1.98 0.00 0.00 175.50 174.01 3iax n ASP 109 N -3.69 0.00 0.00 2.55 2.03 -1.26 -4.76 116.55 111.43 3iax n ASP 109 Ca 0.27 -1.48 0.00 0.00 0.52 0.00 0.00 54.79 54.10 3iax n ASP 109 Cb 1.12 -0.00 0.00 0.00 -0.72 0.00 0.00 41.12 41.52 3iax n ASP 109 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 3iax n GLY 110 N 0.24 2.53 3.16 0.27 0.00 0.78 -4.98 105.19 107.18 3iax n GLY 110 Ca 0.00 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 45.82 3iax n GLY 110 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 3iax n SER 111 N 0.00 0.85 -4.03 1.61 3.41 -1.16 -4.43 113.62 109.87 3iax n SER 111 Ca 0.00 -1.79 -0.11 0.00 -0.26 0.00 0.00 58.87 56.71 3iax n SER 111 Cb 0.00 -0.60 -0.11 0.00 -0.26 0.00 0.00 64.21 63.24 3iax n SER 111 CO 0.00 0.00 0.00 -0.31 -0.16 0.00 0.00 175.04 174.57 3iax s TYR 112 N -2.70 0.48 -0.17 7.33 1.51 0.25 -1.69 117.35 122.36 3iax s TYR 112 Ca 0.56 -0.53 -0.05 0.00 -1.01 0.00 0.00 57.07 56.04 3iax s TYR 112 Cb -0.03 -0.30 -0.03 0.00 -0.11 0.00 0.00 41.96 41.49 3iax s TYR 112 CO 0.38 -0.14 -0.01 -0.80 -1.11 0.00 0.00 175.55 173.86 3iax s ASN 113 N -1.57 4.97 -0.07 2.29 -0.87 0.13 -0.86 114.94 118.96 3iax s ASN 113 Ca -0.12 -0.10 0.01 0.00 -1.57 0.00 0.00 52.86 51.08 3iax s ASN 113 Cb -0.09 -1.83 0.02 0.00 -0.02 0.00 0.00 41.25 39.33 3iax s ASN 113 CO -0.01 0.15 -0.09 -0.69 -2.57 0.00 0.00 177.10 173.90 3iax s VAL 114 N 0.46 0.96 -0.00 1.60 1.01 0.92 -1.00 120.40 124.36 3iax s VAL 114 Ca -0.02 -0.34 -0.06 0.00 0.00 0.00 0.00 61.98 61.56 3iax s VAL 114 Cb -0.14 -0.92 -0.00 0.00 0.00 0.00 0.00 36.38 35.32 3iax s VAL 114 CO 0.02 0.33 0.11 0.00 0.00 0.00 0.00 175.10 175.57 3iax s ALA 115 N 0.98 -0.27 0.13 5.51 0.00 0.32 -0.38 121.76 128.05 3iax s ALA 115 Ca -0.09 -0.13 0.05 0.00 0.00 0.00 0.00 51.96 51.78 3iax s ALA 115 Cb -0.15 0.08 -0.04 0.00 0.00 0.00 0.00 23.12 23.01 3iax s ALA 115 CO 0.00 -0.18 -0.12 1.52 0.00 0.00 0.00 175.76 176.98 3iax s TYR 116 N -1.22 1.29 -0.04 0.00 -0.85 -1.08 0.16 117.35 115.61 3iax s TYR 116 Ca -0.13 -0.65 0.01 0.00 -0.52 0.00 0.00 57.07 55.78 3iax s TYR 116 Cb -0.07 -0.67 0.02 0.00 0.38 0.00 0.00 41.96 41.63 3iax s TYR 116 CO 0.01 0.10 -0.04 -0.65 -1.52 0.00 0.00 175.55 173.46 3iax s GLN 117 N -3.13 0.70 -0.41 -3.49 1.11 0.10 -2.52 119.66 112.03 3iax s GLN 117 Ca 0.11 -0.07 -0.16 0.00 0.01 0.00 0.00 55.36 55.26 3iax s GLN 117 Cb -0.02 -0.74 0.02 0.00 -1.01 0.00 0.00 33.01 31.26 3iax s GLN 117 CO 0.02 -0.08 0.36 -1.17 0.01 0.00 0.00 175.29 174.43 3iax s LEU 118 N 0.90 4.98 -0.16 2.90 2.96 0.14 -1.95 118.68 128.44 3iax s LEU 118 Ca -0.11 -0.78 -0.03 0.00 -0.22 0.00 0.00 54.13 52.99 3iax s LEU 118 Cb -0.14 -2.27 -0.02 0.00 0.50 0.00 0.00 46.19 44.26 3iax s LEU 118 CO -0.00 -0.51 -0.06 0.68 -1.32 0.00 0.00 176.35 175.14 3iax s VAL 119 N 1.90 3.63 0.20 1.68 -7.23 0.13 -0.16 120.40 120.55 3iax s VAL 119 Ca 0.08 -0.45 -0.31 0.00 -1.81 0.00 0.00 61.98 59.49 3iax s VAL 119 Cb -0.18 -2.58 -0.11 0.00 0.56 0.00 0.00 36.38 34.07 3iax s VAL 119 CO 0.12 0.49 1.60 -0.62 -0.31 0.00 0.00 175.10 176.38 3iax s ASP 120 N 0.49 6.51 -0.26 4.85 -1.08 -0.25 0.11 116.67 127.03 3iax s ASP 120 Ca -0.05 2.74 0.15 0.00 -0.52 0.00 0.00 52.55 54.87 3iax s ASP 120 Cb -0.15 -2.60 0.48 0.00 -1.46 0.00 0.00 42.92 39.19 3iax s ASP 120 CO 0.03 -0.87 1.15 0.35 0.52 0.00 0.00 175.17 176.36 3iax n THR 121 N 3.58 1.86 0.00 1.71 -2.24 -0.25 -0.68 114.28 118.26 3iax n THR 121 Ca 0.13 -3.49 0.00 0.00 -2.27 0.00 0.00 64.05 58.42 3iax n THR 121 Cb 0.38 0.08 0.00 0.00 -2.10 0.00 0.00 70.33 68.69 3iax n THR 121 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3iax n GLY 122 N -0.64 1.40 0.21 3.38 0.00 -1.23 -4.32 105.19 104.00 3iax n GLY 122 Ca 0.25 -0.11 -0.15 0.00 0.00 0.00 0.00 46.02 46.01 3iax n GLY 122 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 3iax h GLY 123 N 0.00 0.77 -7.53 -0.02 0.00 -1.94 -3.37 103.07 90.99 3iax h GLY 123 Ca 0.00 -0.93 -0.69 0.00 0.00 0.00 0.00 47.33 45.70 3iax h GLY 123 CO 0.00 0.84 -0.40 0.00 0.00 0.00 0.00 176.54 176.98 3iax s ALA 124 N -4.02 3.52 -0.13 3.60 0.00 -1.26 -5.06 121.76 118.40 3iax s ALA 124 Ca -0.12 -3.16 -0.29 0.00 0.00 0.00 0.00 51.96 48.39 3iax s ALA 124 Cb 0.08 -2.61 -0.02 0.00 0.00 0.00 0.00 23.12 20.57 3iax s ALA 124 CO 0.85 -2.06 1.30 -2.14 0.00 0.00 0.00 175.76 173.71 3iax s PRO 125 N 0.10 4.25 0.00 0.00 0.02 -1.26 -3.07 135.00 135.03 3iax s PRO 125 Ca 0.16 1.72 0.00 0.00 0.02 0.00 0.00 61.00 62.90 3iax s PRO 125 Cb -0.21 -3.75 0.00 0.00 0.02 0.00 0.00 34.50 30.56 3iax s PRO 125 CO -0.03 -0.68 0.00 0.41 -0.33 0.00 0.00 177.00 176.37 3iax n GLY 126 N 3.63 0.83 3.76 0.52 0.00 0.14 -4.99 105.19 109.08 3iax n GLY 126 Ca 0.14 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.76 3iax n GLY 126 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3iax s THR 127 N -2.79 3.94 -0.31 2.61 2.01 -1.18 -4.87 115.64 115.05 3iax s THR 127 Ca 0.00 1.88 -0.22 0.00 0.31 0.00 0.00 61.69 63.66 3iax s THR 127 Cb 0.00 -4.17 -0.00 0.00 0.01 0.00 0.00 72.50 68.34 3iax s THR 127 CO 0.00 0.39 0.73 -0.69 -0.69 0.00 0.00 174.62 174.36 3iax s VAL 128 N -1.26 4.85 -0.08 3.82 1.01 -1.26 -1.09 120.40 126.39 3iax s VAL 128 Ca 0.44 1.04 0.12 0.00 0.00 0.00 0.00 61.98 63.59 3iax s VAL 128 Cb -0.26 -4.09 -0.23 0.00 0.00 0.00 0.00 36.38 31.79 3iax s VAL 128 CO 0.33 -0.21 0.53 0.18 0.00 0.00 0.00 175.10 175.93 3iax n LEU 129 N 6.09 0.84 -3.55 3.92 4.77 0.77 -4.95 117.00 124.88 3iax n LEU 129 Ca 0.02 0.33 -0.15 0.00 -0.03 0.00 0.00 56.01 56.18 3iax n LEU 129 Cb 0.48 0.15 -0.05 0.00 -2.33 0.00 0.00 43.42 41.67 3iax n LEU 129 CO 0.49 0.44 0.33 0.00 -1.33 0.00 0.00 177.39 177.31 3iax s ALA 130 N -2.58 -1.46 -0.10 -1.18 0.00 -1.20 -5.00 121.76 110.24 3iax s ALA 130 Ca -0.07 0.79 -0.30 0.00 0.00 0.00 0.00 51.96 52.38 3iax s ALA 130 Cb 0.08 0.31 0.11 0.00 0.00 0.00 0.00 23.12 23.61 3iax s ALA 130 CO 0.82 -0.48 0.90 -1.14 0.00 0.00 0.00 175.76 175.86 3iax s GLN 131 N -2.15 0.75 0.24 0.00 -0.44 -1.26 0.24 119.66 117.05 3iax s GLN 131 Ca -0.07 0.10 -0.22 0.00 -2.50 0.00 0.00 55.36 52.67 3iax s GLN 131 Cb -0.01 0.35 0.03 0.00 -1.64 0.00 0.00 33.01 31.75 3iax s GLN 131 CO 0.01 -0.25 0.76 1.21 0.50 0.00 0.00 175.29 177.52 3iax s ASN 132 N -1.35 -0.27 -0.05 6.67 3.84 -1.05 -5.02 114.94 117.71 3iax s ASN 132 Ca -0.03 -0.51 -0.02 0.00 0.21 0.00 0.00 52.86 52.51 3iax s ASN 132 Cb -0.00 0.66 0.04 0.00 -0.55 0.00 0.00 41.25 41.40 3iax s ASN 132 CO 0.02 -1.22 0.09 -0.55 -2.79 0.00 0.00 177.10 172.66 3iax s SER 133 N -2.90 0.47 0.08 -4.21 0.15 -1.26 -2.62 113.70 103.41 3iax s SER 133 Ca 0.10 0.18 0.09 0.00 0.70 0.00 0.00 55.95 57.02 3iax s SER 133 Cb -0.05 0.05 -0.03 0.00 -1.71 0.00 0.00 66.02 64.28 3iax s SER 133 CO 0.04 -0.19 -0.23 -0.31 1.20 0.00 0.00 173.24 173.75 3iax s TYR 134 N 1.67 1.98 -0.29 3.44 2.02 0.49 -4.96 117.35 121.70 3iax s TYR 134 Ca -0.03 -0.40 -0.05 0.00 -0.37 0.00 0.00 57.07 56.23 3iax s TYR 134 Cb -0.12 -1.12 0.02 0.00 -0.40 0.00 0.00 41.96 40.34 3iax s TYR 134 CO -0.04 0.19 0.03 0.21 -1.57 0.00 0.00 175.55 174.37 3iax s LYS 135 N -1.66 2.90 0.06 -0.62 2.20 -1.26 -0.05 119.74 121.32 3iax s LYS 135 Ca 0.09 -0.97 0.02 0.00 -0.36 0.00 0.00 55.97 54.75 3iax s LYS 135 Cb -0.10 -3.25 -0.03 0.00 -1.51 0.00 0.00 37.83 32.94 3iax s LYS 135 CO 0.04 -0.47 -0.07 0.14 -0.36 0.00 0.00 175.35 174.62 3iax s VAL 136 N 1.41 0.61 0.64 4.02 -7.23 -0.04 -4.93 120.40 114.87 3iax s VAL 136 Ca 0.01 -1.42 -0.11 0.00 -1.81 0.00 0.00 61.98 58.65 3iax s VAL 136 Cb -0.17 -1.03 -0.03 0.00 0.56 0.00 0.00 36.38 35.70 3iax s VAL 136 CO 0.00 -0.57 1.04 0.20 -0.31 0.00 0.00 175.10 175.45 3iax s ASN 137 N -2.15 6.01 0.65 4.85 0.01 -1.26 -0.58 114.94 122.46 3iax s ASN 137 Ca -0.01 1.49 0.19 0.00 -0.71 0.00 0.00 52.86 53.81 3iax s ASN 137 Cb -0.04 -2.48 0.97 0.00 0.41 0.00 0.00 41.25 40.11 3iax s ASN 137 CO -0.02 -1.02 1.53 0.50 -1.51 0.00 0.00 177.10 176.59 3iax h LYS 138 N -0.37 0.00 0.00 -0.60 3.64 -1.93 0.26 116.57 117.57 3iax h LYS 138 Ca -0.44 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 58.94 3iax h LYS 138 Cb 1.20 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 33.02 3iax h LYS 138 CO 0.60 0.00 -0.80 1.96 -2.27 0.00 0.00 179.45 178.95 3iax h GLN 139 N 0.00 0.00 -0.77 1.90 7.50 -1.97 -3.01 115.11 118.76 3iax h GLN 139 Ca 0.05 0.00 -0.05 0.00 0.50 0.00 0.00 58.65 59.16 3iax h GLN 139 Cb 1.37 0.00 -0.03 0.00 0.05 0.00 0.00 27.48 28.87 3iax h GLN 139 CO -0.00 0.00 0.06 0.91 -1.50 0.00 0.00 178.83 178.30 3iax n TRP 140 N -2.69 1.45 0.27 2.96 7.02 0.89 -4.48 117.44 122.87 3iax n TRP 140 Ca 0.01 -0.60 0.12 0.00 -1.02 0.00 0.00 57.50 56.01 3iax n TRP 140 Cb 0.54 -0.42 0.78 0.00 -2.42 0.00 0.00 31.31 29.79 3iax n TRP 140 CO 0.00 0.00 0.00 -0.07 -2.02 0.00 0.00 177.69 175.60 3iax h LEU 141 N 2.36 0.00 0.07 -0.99 3.38 -1.49 -1.82 115.31 116.82 3iax h LEU 141 Ca 0.06 0.00 -0.22 0.00 0.09 0.00 0.00 57.88 57.81 3iax h LEU 141 Cb 1.58 0.00 0.02 0.00 0.09 0.00 0.00 40.66 42.35 3iax h LEU 141 CO 0.38 0.06 -0.90 0.03 0.09 0.00 0.00 178.44 178.10 3iax h ARG 142 N 0.00 0.49 -0.75 1.13 3.08 -1.86 -2.79 114.38 113.69 3iax h ARG 142 Ca -0.00 -0.62 0.10 0.00 0.07 0.00 0.00 59.98 59.53 3iax h ARG 142 Cb 0.13 0.20 -0.08 0.00 0.08 0.00 0.00 29.97 30.31 3iax h ARG 142 CO 0.01 1.25 0.38 -0.92 -1.07 0.00 0.00 179.97 179.62 3iax h TYR 143 N 0.03 0.68 -0.61 3.04 3.20 -1.83 0.28 116.97 121.75 3iax h TYR 143 Ca -0.13 0.03 -0.09 0.00 3.14 0.00 0.00 58.73 61.68 3iax h TYR 143 Cb 1.62 -0.19 -0.02 0.00 1.54 0.00 0.00 36.73 39.67 3iax h TYR 143 CO 0.14 0.24 0.04 0.00 -1.64 0.00 0.00 178.16 176.94 3iax h ALA 144 N 1.46 0.82 -0.58 1.82 0.00 -1.29 0.97 119.26 122.46 3iax h ALA 144 Ca 0.38 -0.29 -0.00 0.00 0.00 0.00 0.00 54.91 54.99 3iax h ALA 144 Cb 0.41 -0.23 -0.03 0.00 0.00 0.00 0.00 17.79 17.95 3iax h ALA 144 CO -0.28 0.64 0.35 0.78 0.00 0.00 0.00 179.25 180.73 3iax h GLY 145 N 0.96 0.83 2.00 0.00 0.00 -1.16 -2.22 103.07 103.49 3iax h GLY 145 Ca 0.18 -0.35 -0.05 0.00 0.00 0.00 0.00 47.33 47.12 3iax h GLY 145 CO 0.02 0.33 -0.23 0.45 0.00 0.00 0.00 176.54 177.12 3iax h HIS 146 N 0.78 0.00 -0.21 5.60 -0.00 -0.47 -1.06 115.15 119.79 3iax h HIS 146 Ca 0.21 0.00 -0.21 0.00 -0.00 0.00 0.00 60.37 60.37 3iax h HIS 146 Cb -0.02 0.00 0.01 0.00 -0.00 0.00 0.00 27.41 27.39 3iax h HIS 146 CO -0.02 0.23 -0.69 1.15 -0.00 0.00 0.00 177.93 178.60 3iax h THR 147 N 0.00 1.28 0.43 2.45 2.02 -0.47 -1.64 112.91 116.98 3iax h THR 147 Ca -0.00 -1.88 -0.02 0.00 0.77 0.00 0.00 66.41 65.28 3iax h THR 147 Cb 0.50 1.84 0.00 0.00 -1.74 0.00 0.00 68.15 68.75 3iax h THR 147 CO 0.03 0.60 -0.23 0.00 0.37 0.00 0.00 175.52 176.29 3iax h ALA 148 N 0.63 -0.61 -0.75 6.16 0.00 -0.99 -1.34 119.26 122.36 3iax h ALA 148 Ca -0.03 -0.13 0.09 0.00 0.00 0.00 0.00 54.91 54.84 3iax h ALA 148 Cb 1.30 0.26 -0.11 0.00 0.00 0.00 0.00 17.79 19.24 3iax h ALA 148 CO 0.14 -0.85 -0.52 0.77 0.00 0.00 0.00 179.25 178.80 3iax h SER 149 N -0.61 -1.83 -0.77 0.00 0.02 -1.23 0.28 113.55 109.41 3iax h SER 149 Ca -0.06 0.29 0.10 0.00 -0.84 0.00 0.00 61.79 61.28 3iax h SER 149 Cb 0.48 0.81 -0.08 0.00 0.14 0.00 0.00 62.40 63.76 3iax h SER 149 CO 0.08 -0.31 0.41 0.44 -1.14 0.00 0.00 176.83 176.31 3iax h ASP 150 N -0.16 0.54 -0.12 3.07 3.32 -1.16 0.92 116.42 122.83 3iax h ASP 150 Ca 0.17 0.06 -0.07 0.00 0.02 0.00 0.00 57.03 57.22 3iax h ASP 150 Cb 0.52 -0.03 -0.00 0.00 0.22 0.00 0.00 39.33 40.04 3iax h ASP 150 CO -0.80 0.29 -0.18 -0.33 -1.72 0.00 0.00 179.24 176.50 3iax h GLU 151 N 0.66 0.33 -0.62 3.56 5.08 -0.78 -2.40 114.58 120.41 3iax h GLU 151 Ca 0.39 -0.20 -0.06 0.00 -1.00 0.00 0.00 59.36 58.49 3iax h GLU 151 Cb 0.42 0.02 -0.03 0.00 0.50 0.00 0.00 28.75 29.67 3iax h GLU 151 CO -0.28 0.78 0.16 0.28 -1.00 0.00 0.00 179.01 178.95 3iax h VAL 152 N -0.09 1.25 -0.39 3.13 2.07 -0.76 -2.27 116.25 119.19 3iax h VAL 152 Ca 0.01 -0.89 0.02 0.00 0.82 0.00 0.00 66.70 66.65 3iax h VAL 152 Cb 0.75 0.65 -0.03 0.00 -1.52 0.00 0.00 31.29 31.15 3iax h VAL 152 CO 0.04 0.34 0.22 0.15 0.02 0.00 0.00 177.57 178.34 3iax h PHE 153 N 0.90 0.41 -0.03 1.57 3.57 -0.83 -2.03 116.94 120.51 3iax h PHE 153 Ca 0.20 0.01 -0.20 0.00 3.53 0.00 0.00 57.97 61.51 3iax h PHE 153 Cb 0.34 -0.13 -0.00 0.00 2.79 0.00 0.00 35.95 38.94 3iax h PHE 153 CO 0.02 0.23 -0.85 1.49 -2.23 0.00 0.00 178.31 176.98 3iax h GLU 154 N 0.45 0.35 -0.60 1.11 4.81 -1.36 -1.13 114.58 118.21 3iax h GLU 154 Ca 0.16 -0.34 -0.09 0.00 -0.13 0.00 0.00 59.36 58.96 3iax h GLU 154 Cb 0.02 0.09 -0.02 0.00 0.63 0.00 0.00 28.75 29.47 3iax h GLU 154 CO -0.08 1.02 0.03 -0.22 -0.73 0.00 0.00 179.01 179.03 3iax h LYS 155 N 0.21 1.03 0.00 1.92 1.63 -1.16 0.23 116.57 120.43 3iax h LYS 155 Ca -0.05 -0.30 -0.19 0.00 -0.85 0.00 0.00 60.65 59.26 3iax h LYS 155 Cb 1.46 -0.11 -0.03 0.00 -0.60 0.00 0.00 32.23 32.95 3iax h LYS 155 CO 0.14 0.98 -1.29 -0.07 -3.45 0.00 0.00 179.45 175.76 3iax h LEU 156 N 0.95 0.00 0.00 5.20 3.38 -1.29 -3.39 115.31 120.16 3iax h LEU 156 Ca 0.18 0.00 -0.03 0.00 0.09 0.00 0.00 57.88 58.12 3iax h LEU 156 Cb 0.50 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.25 3iax h LEU 156 CO 0.02 0.68 -1.48 0.35 0.09 0.00 0.00 178.44 178.10 3iax n THR 157 N -3.01 0.09 -1.01 0.22 -2.24 -0.43 -5.00 114.28 102.89 3iax n THR 157 Ca -0.08 -0.25 -0.00 0.00 -2.27 0.00 0.00 64.05 61.44 3iax n THR 157 Cb 0.87 0.12 -0.00 0.00 -2.10 0.00 0.00 70.33 69.22 3iax n THR 157 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3iax n GLY 158 N 2.01 0.45 3.50 3.38 0.00 0.80 -5.01 105.19 110.32 3iax n GLY 158 Ca -0.04 -0.12 -0.34 0.00 0.00 0.00 0.00 46.02 45.53 3iax n GLY 158 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3iax s ILE 159 N -1.89 3.68 0.23 -0.61 1.01 -1.26 -5.05 121.20 117.31 3iax s ILE 159 Ca 0.00 -0.45 -0.32 0.00 0.00 0.00 0.00 60.65 59.88 3iax s ILE 159 Cb 0.00 -2.57 -0.12 0.00 0.01 0.00 0.00 42.46 39.78 3iax s ILE 159 CO 0.00 0.53 1.67 1.17 0.00 0.00 0.00 174.94 178.31 3iax n LYS 160 N 3.09 2.67 -2.51 2.79 4.81 -1.26 -3.88 118.16 123.87 3iax n LYS 160 Ca -0.18 0.96 -0.36 0.00 -0.87 0.00 0.00 58.31 57.87 3iax n LYS 160 Cb 0.53 -2.78 -0.03 0.00 0.02 0.00 0.00 35.03 32.77 3iax n LYS 160 CO 0.00 0.00 0.00 0.20 1.17 0.00 0.00 177.40 178.77 3iax s GLY 161 N 0.94 2.67 -0.11 3.14 0.00 -1.26 -4.74 107.32 107.95 3iax s GLY 161 Ca 0.72 0.70 0.15 0.00 0.00 0.00 0.00 44.72 46.30 3iax s GLY 161 CO 0.38 1.10 1.13 0.00 0.00 0.00 0.00 173.10 175.70 3iax n ALA 162 N -0.41 2.32 0.75 3.20 0.00 -1.26 -4.79 120.51 120.31 3iax n ALA 162 Ca 0.07 -2.41 0.13 0.00 0.00 0.00 0.00 53.44 51.23 3iax n ALA 162 Cb 0.50 -0.40 0.42 0.00 0.00 0.00 0.00 19.45 19.97 3iax n ALA 162 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 177.50 178.69 3iax n PHE 163 N -1.16 0.56 -1.11 0.00 3.72 -1.26 -3.32 117.46 114.90 3iax n PHE 163 Ca 0.13 0.16 -0.08 0.00 -0.05 0.00 0.00 57.45 57.62 3iax n PHE 163 Cb 0.66 -0.73 0.28 0.00 -0.94 0.00 0.00 39.48 38.75 3iax n PHE 163 CO 0.00 0.00 0.00 0.54 -0.05 0.00 0.00 176.76 177.25 3iax n ARG 164 N -1.98 3.32 -4.78 -1.08 1.74 -1.26 -4.82 116.66 107.80 3iax n ARG 164 Ca 0.06 -3.08 -0.32 0.00 -0.77 0.00 0.00 57.85 53.74 3iax n ARG 164 Cb 0.40 -2.16 -0.13 0.00 -1.02 0.00 0.00 32.46 29.55 3iax n ARG 164 CO 0.00 0.00 0.00 0.95 -1.52 0.00 0.00 177.63 177.06 3iax s THR 165 N -3.06 3.03 0.67 0.55 -4.23 -1.21 -4.53 115.64 106.86 3iax s THR 165 Ca 0.54 -0.88 -0.04 0.00 -1.18 0.00 0.00 61.69 60.13 3iax s THR 165 Cb 0.44 -2.23 0.06 0.00 1.34 0.00 0.00 72.50 72.11 3iax s THR 165 CO 0.12 0.49 0.95 -0.13 -0.54 0.00 0.00 174.62 175.51 3iax s ARG 166 N -1.03 2.21 0.12 3.99 1.81 -1.26 -2.04 118.95 122.75 3iax s ARG 166 Ca 0.13 -0.49 0.06 0.00 -1.72 0.00 0.00 55.73 53.72 3iax s ARG 166 Cb -0.11 -2.27 -0.04 0.00 -0.45 0.00 0.00 34.95 32.09 3iax s ARG 166 CO 0.03 -1.14 -0.15 0.96 -0.68 0.00 0.00 175.30 174.32 3iax s ILE 167 N -3.11 1.40 0.09 1.52 -4.36 0.95 -1.44 121.20 116.25 3iax s ILE 167 Ca 0.60 -1.69 0.10 0.00 -0.26 0.00 0.00 60.65 59.40 3iax s ILE 167 Cb -0.10 -1.53 -0.03 0.00 1.25 0.00 0.00 42.46 42.05 3iax s ILE 167 CO 0.43 -0.35 -0.26 0.00 0.24 0.00 0.00 174.94 175.00 3iax s ALA 168 N -1.96 2.24 0.20 2.27 0.00 0.51 -1.72 121.76 123.30 3iax s ALA 168 Ca 0.08 -1.35 -0.23 0.00 0.00 0.00 0.00 51.96 50.46 3iax s ALA 168 Cb -0.06 -0.40 0.05 0.00 0.00 0.00 0.00 23.12 22.71 3iax s ALA 168 CO 0.03 0.51 0.85 1.52 0.00 0.00 0.00 175.76 178.68 3iax s TYR 169 N -0.96 -0.17 -0.11 0.00 -0.85 -0.61 -0.18 117.35 114.48 3iax s TYR 169 Ca 0.12 -0.19 -0.01 0.00 -0.52 0.00 0.00 57.07 56.47 3iax s TYR 169 Cb -0.10 0.66 -0.03 0.00 0.38 0.00 0.00 41.96 42.88 3iax s TYR 169 CO 0.04 -0.99 -0.05 0.08 -1.52 0.00 0.00 175.55 173.11 3iax s VAL 170 N -3.55 3.79 -0.08 -3.49 1.01 -0.15 -0.83 120.40 117.10 3iax s VAL 170 Ca 0.11 -0.42 0.04 0.00 0.00 0.00 0.00 61.98 61.72 3iax s VAL 170 Cb -0.03 -2.60 -0.01 0.00 0.00 0.00 0.00 36.38 33.74 3iax s VAL 170 CO 0.04 0.56 -0.22 -0.69 0.00 0.00 0.00 175.10 174.78 3iax s VAL 171 N -0.31 2.30 -0.39 2.92 1.01 -0.71 -1.74 120.40 123.48 3iax s VAL 171 Ca 0.05 -0.96 -0.14 0.00 0.00 0.00 0.00 61.98 60.92 3iax s VAL 171 Cb -0.13 -1.87 0.01 0.00 0.00 0.00 0.00 36.38 34.39 3iax s VAL 171 CO 0.02 0.56 0.28 -1.58 0.00 0.00 0.00 175.10 174.39 3iax s GLN 172 N -0.02 3.13 0.61 2.72 0.74 0.45 -0.84 119.66 126.45 3iax s GLN 172 Ca -0.07 -0.90 0.02 0.00 0.05 0.00 0.00 55.36 54.46 3iax s GLN 172 Cb -0.15 -3.92 0.12 0.00 1.10 0.00 0.00 33.01 30.16 3iax s GLN 172 CO 0.05 -0.65 0.84 0.25 -0.55 0.00 0.00 175.29 175.22 3iax n THR 173 N 5.14 0.00 1.01 -0.34 -2.24 0.83 -1.02 114.28 117.67 3iax n THR 173 Ca -0.12 -1.45 0.10 0.00 -2.27 0.00 0.00 64.05 60.31 3iax n THR 173 Cb 0.48 -0.87 0.31 0.00 -2.10 0.00 0.00 70.33 68.16 3iax n THR 173 CO 0.00 0.00 0.00 0.59 -0.57 0.00 0.00 175.07 175.09 3iax n ASN 174 N -2.80 2.00 -4.77 3.42 3.02 -1.26 -4.87 115.26 109.99 3iax n ASN 174 Ca 0.14 -1.80 -0.37 0.00 -0.03 0.00 0.00 54.58 52.52 3iax n ASN 174 Cb 0.52 -0.15 -0.02 0.00 -0.61 0.00 0.00 39.78 39.51 3iax n ASN 174 CO 0.00 0.00 0.00 -0.83 -2.62 0.00 0.00 177.26 173.81 3iax s GLY 175 N -1.45 2.77 -0.04 7.41 0.00 -1.26 -4.96 107.32 109.78 3iax s GLY 175 Ca 0.32 0.86 -0.07 0.00 0.00 0.00 0.00 44.72 45.83 3iax s GLY 175 CO 0.25 1.31 0.70 -1.33 0.00 0.00 0.00 173.10 174.03 3iax h GLY 176 N 2.21 0.37 0.65 0.20 0.00 -1.98 -3.33 103.07 101.19 3iax h GLY 176 Ca -0.49 -0.95 -0.13 0.00 0.00 0.00 0.00 47.33 45.76 3iax h GLY 176 CO 0.61 0.83 -0.53 -1.61 0.00 0.00 0.00 176.54 175.85 3iax h GLN 177 N 0.09 0.31 -2.11 4.80 4.15 -1.96 -3.39 115.11 117.00 3iax h GLN 177 Ca -0.32 -0.37 -0.58 0.00 0.77 0.00 0.00 58.65 58.16 3iax h GLN 177 Cb 2.07 0.11 -0.41 0.00 0.21 0.00 0.00 27.48 29.46 3iax h GLN 177 CO 0.16 1.08 -0.83 1.19 -1.93 0.00 0.00 178.83 178.50 3iax n PHE 178 N -4.29 1.93 0.26 3.99 3.72 -1.26 -3.93 117.46 117.88 3iax n PHE 178 Ca -0.11 -3.90 0.14 0.00 -0.05 0.00 0.00 57.45 53.53 3iax n PHE 178 Cb 0.65 -0.47 0.70 0.00 -0.94 0.00 0.00 39.48 39.42 3iax n PHE 178 CO 0.00 0.00 0.00 -1.35 -0.05 0.00 0.00 176.76 175.36 3iax h PRO 179 N 3.94 0.00 -5.42 -1.08 0.11 -1.63 -3.40 132.00 124.52 3iax h PRO 179 Ca 0.14 0.00 -0.61 0.00 0.11 0.00 0.00 66.00 65.64 3iax h PRO 179 Cb 0.75 0.00 -0.10 0.00 0.11 0.00 0.00 31.00 31.76 3iax h PRO 179 CO 0.67 0.12 -0.44 0.71 -0.21 0.00 0.00 178.00 178.85 3iax s TYR 180 N -3.97 3.47 -0.27 0.65 1.51 -1.09 -0.12 117.35 117.54 3iax s TYR 180 Ca -0.02 0.46 -0.03 0.00 -1.01 0.00 0.00 57.07 56.47 3iax s TYR 180 Cb 0.12 -2.16 0.09 0.00 -0.11 0.00 0.00 41.96 39.89 3iax s TYR 180 CO 0.57 0.38 0.10 -1.21 -1.11 0.00 0.00 175.55 174.28 3iax s GLU 181 N 0.05 0.45 -0.14 -0.62 2.02 -0.02 -1.50 118.70 118.94 3iax s GLU 181 Ca 0.12 -0.66 -0.29 0.00 0.02 0.00 0.00 54.97 54.16 3iax s GLU 181 Cb -0.12 -1.69 -0.04 0.00 0.10 0.00 0.00 34.13 32.39 3iax s GLU 181 CO 0.01 -0.91 1.62 -1.17 0.02 0.00 0.00 175.26 174.84 3iax s LEU 182 N 1.89 4.10 0.27 1.80 0.20 -0.07 -1.74 118.68 125.13 3iax s LEU 182 Ca 0.07 1.91 0.08 0.00 0.69 0.00 0.00 54.13 56.88 3iax s LEU 182 Cb -0.17 -3.53 -0.06 0.00 -0.43 0.00 0.00 46.19 42.01 3iax s LEU 182 CO -0.25 -1.09 -0.09 -0.13 -0.29 0.00 0.00 176.35 174.50 3iax s ARG 183 N 4.34 1.55 0.03 1.98 0.52 -0.01 -1.13 118.95 126.23 3iax s ARG 183 Ca 0.72 -1.76 0.02 0.00 -0.52 0.00 0.00 55.73 54.19 3iax s ARG 183 Cb -0.29 -1.28 -0.02 0.00 0.52 0.00 0.00 34.95 33.89 3iax s ARG 183 CO 0.28 0.11 -0.08 0.08 0.02 0.00 0.00 175.30 175.72 3iax s VAL 184 N -2.90 0.55 0.39 3.52 1.01 -0.56 -1.57 120.40 120.83 3iax s VAL 184 Ca 0.28 -0.90 -0.11 0.00 0.00 0.00 0.00 61.98 61.26 3iax s VAL 184 Cb 0.02 -0.58 0.04 0.00 0.00 0.00 0.00 36.38 35.86 3iax s VAL 184 CO 0.12 -0.25 0.70 -0.94 0.00 0.00 0.00 175.10 174.72 3iax s SER 185 N -1.25 0.37 0.43 3.32 1.04 -0.70 -1.14 113.70 115.77 3iax s SER 185 Ca -0.07 -1.32 -0.24 0.00 0.48 0.00 0.00 55.95 54.80 3iax s SER 185 Cb -0.08 0.81 -0.08 0.00 0.10 0.00 0.00 66.02 66.77 3iax s SER 185 CO 0.00 -1.60 1.15 -1.81 0.98 0.00 0.00 173.24 171.96 3iax s ASP 186 N -3.15 6.41 0.60 7.02 1.01 -0.67 -0.03 116.67 127.86 3iax s ASP 186 Ca 0.21 2.27 0.31 0.00 0.71 0.00 0.00 52.55 56.06 3iax s ASP 186 Cb -0.04 -2.60 1.14 0.00 1.01 0.00 0.00 42.92 42.43 3iax s ASP 186 CO 0.15 -0.75 1.42 0.10 0.21 0.00 0.00 175.17 176.31 3iax h TYR 187 N 2.35 0.00 -0.57 4.23 -0.00 -1.66 0.20 116.97 121.53 3iax h TYR 187 Ca -0.49 0.00 0.00 0.00 -0.00 0.00 0.00 58.73 58.24 3iax h TYR 187 Cb 1.24 0.00 0.00 0.00 -0.00 0.00 0.00 36.73 37.97 3iax h TYR 187 CO 0.55 0.00 0.00 -0.40 -0.00 0.00 0.00 178.16 178.31 3iax n ASP 188 N -3.44 3.67 0.00 0.10 5.75 -1.26 -4.90 116.55 116.47 3iax n ASP 188 Ca 0.26 -1.99 0.00 0.00 -0.01 0.00 0.00 54.79 53.05 3iax n ASP 188 Cb 1.53 -0.37 0.00 0.00 -1.03 0.00 0.00 41.12 41.25 3iax n ASP 188 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 3iax n GLY 189 N 1.49 3.24 3.86 6.12 0.00 0.06 -4.51 105.19 115.44 3iax n GLY 189 Ca 0.21 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.92 3iax n GLY 189 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 3iax s TYR 190 N -2.90 3.46 -0.90 1.61 2.02 -1.26 -4.35 117.35 115.03 3iax s TYR 190 Ca 0.00 1.29 -0.03 0.00 -0.37 0.00 0.00 57.07 57.96 3iax s TYR 190 Cb 0.00 -2.65 0.00 0.00 -0.40 0.00 0.00 41.96 38.92 3iax s TYR 190 CO 0.00 -0.26 0.77 0.09 -1.57 0.00 0.00 175.55 174.58 3iax n ASN 191 N -1.46 -3.50 -4.78 2.29 3.02 -1.26 -1.67 115.26 107.89 3iax n ASN 191 Ca 0.05 -0.41 -0.36 0.00 -0.03 0.00 0.00 54.58 53.83 3iax n ASN 191 Cb 0.54 -3.73 -0.04 0.00 -0.61 0.00 0.00 39.78 35.94 3iax n ASN 191 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 3iax s GLN 192 N -5.42 4.14 0.07 3.52 -2.07 -1.26 -4.35 119.66 114.28 3iax s GLN 192 Ca 0.20 1.49 -0.03 0.00 -1.82 0.00 0.00 55.36 55.20 3iax s GLN 192 Cb -0.09 -2.50 -0.03 0.00 -1.09 0.00 0.00 33.01 29.30 3iax s GLN 192 CO 0.51 -0.16 0.04 -0.59 -1.32 0.00 0.00 175.29 173.77 3iax s PHE 193 N -1.69 0.48 -0.15 9.60 -0.71 -0.29 -4.98 117.98 120.23 3iax s PHE 193 Ca 0.59 -0.97 -0.16 0.00 -1.04 0.00 0.00 56.93 55.34 3iax s PHE 193 Cb -0.21 -0.32 -0.04 0.00 -1.21 0.00 0.00 43.02 41.24 3iax s PHE 193 CO 0.27 -0.44 0.40 0.08 -1.34 0.00 0.00 175.22 174.18 3iax s VAL 194 N -3.92 5.23 -0.14 -2.49 1.01 -1.26 -1.50 120.40 117.33 3iax s VAL 194 Ca 0.09 0.77 -0.08 0.00 0.00 0.00 0.00 61.98 62.76 3iax s VAL 194 Cb 0.07 -3.74 -0.25 0.00 0.00 0.00 0.00 36.38 32.46 3iax s VAL 194 CO -0.08 0.33 0.32 0.52 0.00 0.00 0.00 175.10 176.18 3iax n VAL 195 N 3.77 1.74 -3.66 2.92 0.31 -0.28 -4.98 118.33 118.14 3iax n VAL 195 Ca -0.09 -0.58 -0.12 0.00 -0.01 0.00 0.00 64.34 63.55 3iax n VAL 195 Cb 0.52 -1.76 -0.08 0.00 -0.91 0.00 0.00 33.84 31.60 3iax n VAL 195 CO 0.00 0.00 0.00 -2.28 -1.32 0.00 0.00 176.83 173.23 3iax s HIS 196 N -2.53 -0.75 0.05 3.52 2.46 -1.16 -4.99 115.29 111.88 3iax s HIS 196 Ca -0.24 1.71 0.06 0.00 0.47 0.00 0.00 55.06 57.06 3iax s HIS 196 Cb 0.07 0.32 -0.04 0.00 -0.13 0.00 0.00 32.58 32.81 3iax s HIS 196 CO 0.74 -0.37 -0.11 1.03 -2.47 0.00 0.00 174.74 173.56 3iax s ARG 197 N 0.74 2.27 -0.05 2.88 0.52 -1.26 -0.89 118.95 123.16 3iax s ARG 197 Ca -0.03 -0.90 -0.08 0.00 -0.52 0.00 0.00 55.73 54.19 3iax s ARG 197 Cb -0.05 -2.34 0.02 0.00 0.52 0.00 0.00 34.95 33.09 3iax s ARG 197 CO -0.05 0.55 0.20 0.45 0.02 0.00 0.00 175.30 176.47 3iax s SER 198 N -1.70 -0.15 0.32 0.23 0.15 -0.56 -5.01 113.70 106.97 3iax s SER 198 Ca 0.18 0.22 0.24 0.00 0.70 0.00 0.00 55.95 57.29 3iax s SER 198 Cb -0.11 0.36 0.55 0.00 -1.71 0.00 0.00 66.02 65.12 3iax s SER 198 CO 0.09 -0.20 1.67 1.55 1.20 0.00 0.00 173.24 177.55 3iax h PRO 199 N 5.16 0.00 0.00 5.44 0.13 -1.88 -2.83 132.00 138.02 3iax h PRO 199 Ca -0.27 0.00 -0.50 0.00 -0.87 0.00 0.00 66.00 64.36 3iax h PRO 199 Cb 1.19 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.32 3iax h PRO 199 CO 0.38 0.00 -0.14 1.04 -0.23 0.00 0.00 178.00 179.06 3iax n GLN 200 N -2.67 0.65 -2.75 0.86 1.13 -1.26 -4.70 117.38 108.64 3iax n GLN 200 Ca 0.05 -3.11 -0.34 0.00 -1.94 0.00 0.00 57.00 51.66 3iax n GLN 200 Cb 0.48 -0.02 -0.06 0.00 0.11 0.00 0.00 30.24 30.75 3iax n GLN 200 CO 0.00 0.00 0.00 -2.14 -1.44 0.00 0.00 177.06 173.48 3iax s PRO 201 N -4.40 4.21 -0.05 -1.09 0.02 -1.26 -4.52 135.00 127.91 3iax s PRO 201 Ca 0.48 1.22 0.06 0.00 0.02 0.00 0.00 61.00 62.78 3iax s PRO 201 Cb -0.04 -2.29 -0.02 0.00 0.02 0.00 0.00 34.50 32.18 3iax s PRO 201 CO 0.31 -0.05 -0.23 -0.51 -0.33 0.00 0.00 177.00 176.18 3iax s LEU 202 N -3.01 2.18 0.13 -5.54 1.43 -1.26 -1.91 118.68 110.70 3iax s LEU 202 Ca 0.61 -0.45 0.05 0.00 -1.03 0.00 0.00 54.13 53.30 3iax s LEU 202 Cb -0.13 -1.40 -0.04 0.00 0.03 0.00 0.00 46.19 44.66 3iax s LEU 202 CO 0.17 0.28 -0.12 -0.04 0.23 0.00 0.00 176.35 176.87 3iax s MET 203 N -0.35 1.02 -0.94 1.70 -1.94 -0.04 -4.93 119.30 113.82 3iax s MET 203 Ca 0.02 -1.34 -0.10 0.00 -1.71 0.00 0.00 55.69 52.56 3iax s MET 203 Cb -0.12 -0.72 0.01 0.00 2.01 0.00 0.00 34.83 36.01 3iax s MET 203 CO 0.02 0.11 0.64 0.43 -0.01 0.00 0.00 175.02 176.22 3iax n SER 204 N 0.16 -4.96 -4.76 3.03 7.64 -1.26 -1.09 113.62 112.37 3iax n SER 204 Ca -0.13 -0.98 -0.38 0.00 1.01 0.00 0.00 58.87 58.39 3iax n SER 204 Cb 0.59 -2.09 0.02 0.00 -1.01 0.00 0.00 64.21 61.72 3iax n SER 204 CO 0.00 0.00 0.00 -2.16 -3.01 0.00 0.00 175.04 169.87 3iax s PRO 205 N -5.46 3.45 -0.02 1.43 0.04 -1.26 -4.31 135.00 128.86 3iax s PRO 205 Ca 0.15 2.11 -0.00 0.00 0.04 0.00 0.00 61.00 63.31 3iax s PRO 205 Cb -0.08 -2.39 0.03 0.00 0.04 0.00 0.00 34.50 32.11 3iax s PRO 205 CO 0.90 -0.91 0.04 0.00 0.04 0.00 0.00 177.00 177.07 3iax s ALA 206 N -1.36 0.05 0.20 8.56 0.00 0.63 -4.72 121.76 125.12 3iax s ALA 206 Ca 0.67 0.33 -0.25 0.00 0.00 0.00 0.00 51.96 52.71 3iax s ALA 206 Cb -0.37 -0.26 -0.08 0.00 0.00 0.00 0.00 23.12 22.41 3iax s ALA 206 CO 0.45 -0.11 0.80 -1.58 0.00 0.00 0.00 175.76 175.32 3iax s TRP 207 N 1.03 3.84 0.44 0.00 0.52 -1.26 -0.37 118.94 123.15 3iax s TRP 207 Ca -0.09 1.63 -0.21 0.00 0.02 0.00 0.00 56.10 57.45 3iax s TRP 207 Cb -0.12 -2.77 -0.10 0.00 -1.15 0.00 0.00 33.47 29.33 3iax s TRP 207 CO -0.03 0.44 0.98 -1.54 0.02 0.00 0.00 176.95 176.83 3iax s SER 208 N -1.30 6.76 0.66 2.95 1.04 -0.64 -4.42 113.70 118.75 3iax s SER 208 Ca 0.39 1.79 0.44 0.00 0.48 0.00 0.00 55.95 59.05 3iax s SER 208 Cb -0.22 -2.55 2.35 0.00 0.10 0.00 0.00 66.02 65.70 3iax s SER 208 CO 0.25 -0.49 2.35 1.55 0.98 0.00 0.00 173.24 177.89 3iax h PRO 209 N 1.90 0.00 -0.01 4.02 0.13 -1.87 0.01 132.00 136.17 3iax h PRO 209 Ca -0.49 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.64 3iax h PRO 209 Cb 1.20 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.33 3iax h PRO 209 CO 0.61 0.00 -0.07 -0.40 -0.23 0.00 0.00 178.00 177.91 3iax n ASP 210 N -3.11 1.44 -0.28 1.44 5.68 -1.26 -4.82 116.55 115.63 3iax n ASP 210 Ca -0.03 -1.36 -0.04 0.00 -0.50 0.00 0.00 54.79 52.86 3iax n ASP 210 Cb 0.09 0.04 -0.02 0.00 -1.14 0.00 0.00 41.12 40.09 3iax n ASP 210 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 3iax n GLY 211 N 1.23 0.65 0.01 6.12 0.00 -0.01 -4.91 105.19 108.26 3iax n GLY 211 Ca 0.17 -0.43 0.10 0.00 0.00 0.00 0.00 46.02 45.86 3iax n GLY 211 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 3iax n SER 212 N 0.41 0.69 -4.11 1.61 3.41 -1.26 -4.93 113.62 109.44 3iax n SER 212 Ca -0.04 -0.65 -0.12 0.00 -0.26 0.00 0.00 58.87 57.80 3iax n SER 212 Cb 0.19 1.22 -0.11 0.00 -0.26 0.00 0.00 64.21 65.25 3iax n SER 212 CO 0.00 0.00 0.00 -0.54 -0.16 0.00 0.00 175.04 174.34 3iax s LYS 213 N -3.15 0.67 -0.02 4.33 1.02 -1.26 -0.92 119.74 120.40 3iax s LYS 213 Ca 0.04 -1.02 0.07 0.00 0.02 0.00 0.00 55.97 55.07 3iax s LYS 213 Cb 0.15 -0.26 -0.02 0.00 -0.52 0.00 0.00 37.83 37.19 3iax s LYS 213 CO 0.87 0.02 -0.22 -0.51 -0.92 0.00 0.00 175.35 174.59 3iax s LEU 214 N -2.25 2.04 -0.02 3.17 1.43 -0.48 -1.62 118.68 120.95 3iax s LEU 214 Ca 0.00 -0.41 0.01 0.00 -1.03 0.00 0.00 54.13 52.71 3iax s LEU 214 Cb -0.03 -1.15 -0.03 0.00 0.03 0.00 0.00 46.19 45.00 3iax s LEU 214 CO -0.02 0.27 -0.03 0.00 0.23 0.00 0.00 176.35 176.80 3iax s ALA 215 N -0.47 3.18 0.19 4.21 0.00 0.50 -0.46 121.76 128.91 3iax s ALA 215 Ca 0.07 -0.94 -0.21 0.00 0.00 0.00 0.00 51.96 50.88 3iax s ALA 215 Cb -0.09 -1.29 0.05 0.00 0.00 0.00 0.00 23.12 21.79 3iax s ALA 215 CO -0.00 0.62 0.60 1.52 0.00 0.00 0.00 175.76 178.50 3iax s TYR 216 N -1.00 -0.38 -0.11 0.00 1.13 -0.70 -0.27 117.35 116.03 3iax s TYR 216 Ca 0.17 0.08 -0.15 0.00 -1.41 0.00 0.00 57.07 55.76 3iax s TYR 216 Cb -0.11 0.55 -0.05 0.00 -1.10 0.00 0.00 41.96 41.25 3iax s TYR 216 CO 0.07 -0.94 0.37 0.08 -2.51 0.00 0.00 175.55 172.63 3iax s VAL 217 N -3.81 5.21 0.07 -3.49 1.01 -0.25 -1.84 120.40 117.30 3iax s VAL 217 Ca 0.05 0.74 0.07 0.00 0.00 0.00 0.00 61.98 62.83 3iax s VAL 217 Cb -0.02 -3.70 -0.03 0.00 0.00 0.00 0.00 36.38 32.63 3iax s VAL 217 CO -0.07 0.42 -0.19 0.28 0.00 0.00 0.00 175.10 175.55 3iax s THR 218 N 0.10 1.50 -0.86 3.92 -1.32 0.51 -0.86 115.64 118.62 3iax s THR 218 Ca 0.21 -1.29 0.11 0.00 -1.21 0.00 0.00 61.69 59.52 3iax s THR 218 Cb -0.14 -1.35 0.33 0.00 -1.51 0.00 0.00 72.50 69.82 3iax s THR 218 CO 0.08 0.02 1.27 0.49 -2.21 0.00 0.00 174.62 174.28 3iax n PHE 219 N 1.53 0.51 -0.53 9.09 3.01 -0.80 -0.39 117.46 129.87 3iax n PHE 219 Ca -0.19 -0.53 0.43 0.00 1.01 0.00 0.00 57.45 58.17 3iax n PHE 219 Cb 0.54 -0.05 0.72 0.00 -0.01 0.00 0.00 39.48 40.67 3iax n PHE 219 CO 0.00 0.00 0.00 0.93 1.01 0.00 0.00 176.76 178.70 3iax h GLU 220 N 2.01 0.02 0.00 -1.08 5.08 -1.81 0.39 114.58 119.19 3iax h GLU 220 Ca 0.00 -0.00 -0.02 0.00 -1.00 0.00 0.00 59.36 58.34 3iax h GLU 220 Cb 0.80 -0.00 -0.00 0.00 0.50 0.00 0.00 28.75 30.04 3iax h GLU 220 CO 0.02 0.01 -0.08 0.66 -1.00 0.00 0.00 179.01 178.63 3iax h SER 221 N 0.02 0.00 0.00 1.42 4.64 -1.98 -3.46 113.55 114.20 3iax h SER 221 Ca 0.88 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 62.20 3iax h SER 221 Cb 3.04 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 65.13 3iax h SER 221 CO -0.32 0.08 0.00 0.61 -0.87 0.00 0.00 176.83 176.33 3iax n GLY 222 N 1.02 1.62 3.37 -0.77 0.00 0.13 -5.05 105.19 105.51 3iax n GLY 222 Ca 0.03 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.84 3iax n GLY 222 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 3iax s ARG 223 N 0.00 1.39 0.29 1.61 3.52 -1.24 -5.05 118.95 119.48 3iax s ARG 223 Ca 0.00 -1.55 -0.29 0.00 -0.13 0.00 0.00 55.73 53.76 3iax s ARG 223 Cb 0.00 -1.39 -0.10 0.00 -1.56 0.00 0.00 34.95 31.91 3iax s ARG 223 CO 0.00 0.26 1.11 -1.54 -0.81 0.00 0.00 175.30 174.33 3iax s SER 224 N -3.05 7.20 -0.03 -2.12 1.04 -1.26 -4.21 113.70 111.26 3iax s SER 224 Ca 0.21 2.30 -0.15 0.00 0.48 0.00 0.00 55.95 58.79 3iax s SER 224 Cb -0.04 -2.63 0.03 0.00 0.10 0.00 0.00 66.02 63.48 3iax s SER 224 CO 0.09 -0.19 0.33 0.00 0.98 0.00 0.00 173.24 174.44 3iax s ALA 225 N -1.18 -0.83 -0.29 5.32 0.00 0.47 -4.59 121.76 120.66 3iax s ALA 225 Ca 0.45 0.45 -0.07 0.00 0.00 0.00 0.00 51.96 52.80 3iax s ALA 225 Cb -0.32 -0.02 0.00 0.00 0.00 0.00 0.00 23.12 22.78 3iax s ALA 225 CO 0.41 -0.25 0.08 -0.51 0.00 0.00 0.00 175.76 175.49 3iax s LEU 226 N -1.12 3.76 0.36 0.00 1.43 -0.84 -0.36 118.68 121.91 3iax s LEU 226 Ca -0.12 -0.62 0.09 0.00 -1.03 0.00 0.00 54.13 52.45 3iax s LEU 226 Cb -0.05 -1.88 -0.06 0.00 0.03 0.00 0.00 46.19 44.23 3iax s LEU 226 CO 0.04 -0.16 0.03 0.68 0.23 0.00 0.00 176.35 177.17 3iax s VAL 227 N 1.52 2.51 -0.07 -1.59 -7.23 -0.76 -1.15 120.40 113.62 3iax s VAL 227 Ca 0.03 -1.94 0.03 0.00 -1.81 0.00 0.00 61.98 58.29 3iax s VAL 227 Cb -0.17 -2.84 0.01 0.00 0.56 0.00 0.00 36.38 33.94 3iax s VAL 227 CO 0.02 -0.15 -0.16 -0.63 -0.31 0.00 0.00 175.10 173.87 3iax s ILE 228 N -2.55 1.41 -0.11 -0.62 1.01 -0.14 -1.72 121.20 118.49 3iax s ILE 228 Ca 0.36 -0.65 0.02 0.00 0.00 0.00 0.00 60.65 60.38 3iax s ILE 228 Cb 0.02 -1.26 -0.01 0.00 0.01 0.00 0.00 42.46 41.22 3iax s ILE 228 CO 0.20 0.42 -0.19 -1.58 0.00 0.00 0.00 174.94 173.78 3iax s GLN 229 N 0.50 3.13 -0.08 2.79 0.74 0.40 -0.01 119.66 127.13 3iax s GLN 229 Ca -0.15 -0.79 -0.30 0.00 0.05 0.00 0.00 55.36 54.18 3iax s GLN 229 Cb -0.16 -2.44 -0.03 0.00 1.10 0.00 0.00 33.01 31.49 3iax s GLN 229 CO 0.05 0.23 1.16 0.99 -0.55 0.00 0.00 175.29 177.17 3iax s THR 230 N 0.25 4.39 0.10 -0.34 2.01 -0.26 -1.38 115.64 120.40 3iax s THR 230 Ca -0.13 1.70 -0.17 0.00 0.31 0.00 0.00 61.69 63.40 3iax s THR 230 Cb -0.16 -4.09 -0.07 0.00 0.01 0.00 0.00 72.50 68.19 3iax s THR 230 CO 0.07 -0.01 1.50 -0.07 -0.69 0.00 0.00 174.62 175.42 3iax h LEU 231 N 8.29 0.56 -1.56 4.42 3.38 -1.36 0.17 115.31 129.21 3iax h LEU 231 Ca -0.32 -0.35 -0.03 0.00 0.09 0.00 0.00 57.88 57.27 3iax h LEU 231 Cb 1.15 -0.15 -0.01 0.00 0.09 0.00 0.00 40.66 41.74 3iax h LEU 231 CO 0.88 0.78 -0.03 0.00 0.09 0.00 0.00 178.44 180.17 3iax h ALA 232 N 0.80 1.65 0.00 1.53 0.00 -1.93 -3.34 119.26 117.97 3iax h ALA 232 Ca 0.08 -0.13 -0.41 0.00 0.00 0.00 0.00 54.91 54.45 3iax h ALA 232 Cb 0.52 -0.08 -0.07 0.00 0.00 0.00 0.00 17.79 18.16 3iax h ALA 232 CO 0.03 0.27 -2.48 0.09 0.00 0.00 0.00 179.25 177.15 3iax n ASN 233 N -4.37 1.98 0.00 0.00 5.03 -1.19 -4.99 115.26 111.73 3iax n ASN 233 Ca -0.00 0.04 0.00 0.00 0.87 0.00 0.00 54.58 55.49 3iax n ASN 233 Cb 0.19 -0.55 0.00 0.00 -1.02 0.00 0.00 39.78 38.40 3iax n ASN 233 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 3iax n GLY 234 N 1.91 0.86 3.69 7.41 0.00 0.59 -5.02 105.19 114.64 3iax n GLY 234 Ca -0.48 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.11 3iax n GLY 234 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3iax n ALA 235 N -1.18 1.30 -3.83 4.61 0.00 -1.24 -4.71 120.51 115.45 3iax n ALA 235 Ca 0.00 0.37 -0.31 0.00 0.00 0.00 0.00 53.44 53.51 3iax n ALA 235 Cb 0.00 -2.27 -0.16 0.00 0.00 0.00 0.00 19.45 17.02 3iax n ALA 235 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 3iax s VAL 236 N -0.81 1.75 -0.21 0.00 1.01 -1.26 -1.10 120.40 119.77 3iax s VAL 236 Ca 0.59 -0.77 -0.07 0.00 0.00 0.00 0.00 61.98 61.73 3iax s VAL 236 Cb -0.58 -1.59 -0.03 0.00 0.00 0.00 0.00 36.38 34.17 3iax s VAL 236 CO 0.59 0.49 0.05 -0.60 0.00 0.00 0.00 175.10 175.63 3iax s ARG 237 N 1.13 3.78 0.12 2.72 3.52 0.98 -4.95 118.95 126.26 3iax s ARG 237 Ca -0.02 -0.43 -0.30 0.00 -0.13 0.00 0.00 55.73 54.85 3iax s ARG 237 Cb -0.14 -3.23 -0.07 0.00 -1.56 0.00 0.00 34.95 29.95 3iax s ARG 237 CO -0.06 0.05 1.15 -0.65 -0.81 0.00 0.00 175.30 174.97 3iax s GLN 238 N 0.97 4.51 -0.12 5.12 -1.52 -1.26 -0.96 119.66 126.41 3iax s GLN 238 Ca 0.03 1.74 -0.05 0.00 -1.95 0.00 0.00 55.36 55.14 3iax s GLN 238 Cb -0.14 -3.31 -0.05 0.00 -0.22 0.00 0.00 33.01 29.29 3iax s GLN 238 CO 0.03 -0.09 -0.14 0.28 -0.25 0.00 0.00 175.29 175.12 3iax n VAL 239 N 3.09 0.64 -3.64 1.09 0.31 -0.30 -4.91 118.33 114.61 3iax n VAL 239 Ca 0.06 -0.17 -0.06 0.00 -0.01 0.00 0.00 64.34 64.15 3iax n VAL 239 Cb 0.46 -1.55 -0.07 0.00 -0.91 0.00 0.00 33.84 31.77 3iax n VAL 239 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 3iax s ALA 240 N -2.21 -2.04 -0.27 3.52 0.00 -1.05 -5.01 121.76 114.69 3iax s ALA 240 Ca -0.16 2.19 -0.00 0.00 0.00 0.00 0.00 51.96 53.98 3iax s ALA 240 Cb 0.06 -1.52 0.14 0.00 0.00 0.00 0.00 23.12 21.80 3iax s ALA 240 CO 0.21 -0.33 0.36 0.45 0.00 0.00 0.00 175.76 176.44 3iax s SER 241 N 1.11 0.76 0.45 0.00 0.15 -1.26 -1.98 113.70 112.93 3iax s SER 241 Ca -0.06 -0.29 0.05 0.00 0.70 0.00 0.00 55.95 56.35 3iax s SER 241 Cb -0.04 0.89 -0.05 0.00 -1.71 0.00 0.00 66.02 65.11 3iax s SER 241 CO -0.13 -0.35 0.08 -0.36 1.20 0.00 0.00 173.24 173.69 3iax s PHE 242 N 2.48 2.30 0.69 3.44 0.40 -1.26 -5.09 117.98 120.93 3iax s PHE 242 Ca 0.10 -0.74 -0.17 0.00 -0.60 0.00 0.00 56.93 55.53 3iax s PHE 242 Cb -0.14 -1.79 0.01 0.00 0.51 0.00 0.00 43.02 41.60 3iax s PHE 242 CO -0.25 0.25 1.20 -2.30 0.70 0.00 0.00 175.22 174.82 3iax n PRO 243 N -1.18 0.82 0.00 0.24 -0.01 -1.26 -4.57 135.00 129.04 3iax n PRO 243 Ca -0.07 0.34 0.00 0.00 -0.01 0.00 0.00 63.50 63.76 3iax n PRO 243 Cb 0.66 -2.44 0.00 0.00 -0.01 0.00 0.00 33.50 31.71 3iax n PRO 243 CO 0.00 0.00 0.00 0.54 -0.01 0.00 0.00 175.50 176.03 3iax n ARG 244 N -2.10 0.00 -4.27 -0.52 1.74 -1.26 -4.04 116.66 106.21 3iax n ARG 244 Ca 0.15 0.00 -0.31 0.00 -0.77 0.00 0.00 57.85 56.92 3iax n ARG 244 Cb 0.49 0.00 -0.09 0.00 -1.02 0.00 0.00 32.46 31.83 3iax n ARG 244 CO 0.00 0.00 0.00 -1.58 -1.52 0.00 0.00 177.63 174.53 3iax s HIS 245 N 0.00 2.91 -0.23 -1.55 5.04 -1.26 -4.60 115.29 115.60 3iax s HIS 245 Ca 0.00 -0.05 -0.03 0.00 -1.54 0.00 0.00 55.06 53.44 3iax s HIS 245 Cb 0.00 -1.55 0.10 0.00 0.04 0.00 0.00 32.58 31.17 3iax s HIS 245 CO 0.00 0.43 0.22 -0.80 -2.34 0.00 0.00 174.74 172.25 3iax s ASN 246 N -1.93 1.68 0.18 9.88 0.01 -1.26 -2.89 114.94 120.61 3iax s ASN 246 Ca 0.21 -0.44 -0.08 0.00 -0.71 0.00 0.00 52.86 51.84 3iax s ASN 246 Cb -0.11 0.31 0.03 0.00 0.41 0.00 0.00 41.25 41.89 3iax s ASN 246 CO 0.13 -0.35 0.41 0.61 -1.51 0.00 0.00 177.10 176.39 3iax n GLY 247 N 5.31 1.41 3.25 0.66 0.00 -0.66 -4.41 105.19 110.75 3iax n GLY 247 Ca -0.05 -1.12 -0.13 0.00 0.00 0.00 0.00 46.02 44.72 3iax n GLY 247 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3iax n ALA 248 N -1.79 -2.50 -1.82 4.61 0.00 -1.26 -0.77 120.51 116.98 3iax n ALA 248 Ca -0.08 0.08 -0.32 0.00 0.00 0.00 0.00 53.44 53.12 3iax n ALA 248 Cb 0.30 -4.85 -0.04 0.00 0.00 0.00 0.00 19.45 14.86 3iax n ALA 248 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.50 176.25 3iax s PRO 249 N -4.24 3.94 -0.13 0.00 0.04 -1.26 -4.25 135.00 129.09 3iax s PRO 249 Ca 0.37 1.02 -0.05 0.00 0.04 0.00 0.00 61.00 62.38 3iax s PRO 249 Cb -0.06 -2.13 0.06 0.00 0.04 0.00 0.00 34.50 32.41 3iax s PRO 249 CO 0.75 -0.28 0.29 0.00 0.04 0.00 0.00 177.00 177.80 3iax s ALA 250 N -2.50 -0.66 0.13 8.56 0.00 -0.38 -4.66 121.76 122.24 3iax s ALA 250 Ca 0.60 1.06 -0.30 0.00 0.00 0.00 0.00 51.96 53.33 3iax s ALA 250 Cb -0.11 -0.95 -0.06 0.00 0.00 0.00 0.00 23.12 22.00 3iax s ALA 250 CO 0.28 -0.51 1.00 -0.06 0.00 0.00 0.00 175.76 176.46 3iax s PHE 251 N 2.07 3.76 0.51 0.00 0.40 -1.26 -0.40 117.98 123.07 3iax s PHE 251 Ca -0.03 1.75 -0.21 0.00 -0.60 0.00 0.00 56.93 57.84 3iax s PHE 251 Cb -0.11 -3.11 -0.06 0.00 0.51 0.00 0.00 43.02 40.25 3iax s PHE 251 CO -0.09 0.01 1.18 -1.54 0.70 0.00 0.00 175.22 175.48 3iax s SER 252 N -0.02 5.79 0.41 1.36 1.04 -0.62 -4.86 113.70 116.80 3iax s SER 252 Ca 0.48 2.33 0.12 0.00 0.48 0.00 0.00 55.95 59.36 3iax s SER 252 Cb -0.25 -2.60 0.95 0.00 0.10 0.00 0.00 66.02 64.23 3iax s SER 252 CO 0.31 -1.18 1.94 -0.65 0.98 0.00 0.00 173.24 174.64 3iax h PRO 253 N 1.56 0.50 -0.00 4.02 0.11 -1.88 -1.43 132.00 134.88 3iax h PRO 253 Ca -0.50 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 65.58 3iax h PRO 253 Cb 1.27 -0.11 0.00 0.00 0.11 0.00 0.00 31.00 32.26 3iax h PRO 253 CO 0.58 0.33 -0.05 -0.40 -0.21 0.00 0.00 178.00 178.26 3iax n ASP 254 N -4.49 0.05 0.00 -2.05 5.75 -1.26 -4.80 116.55 109.75 3iax n ASP 254 Ca 0.13 0.34 0.00 0.00 -0.01 0.00 0.00 54.79 55.25 3iax n ASP 254 Cb 0.42 -0.40 0.00 0.00 -1.03 0.00 0.00 41.12 40.11 3iax n ASP 254 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 3iax n GLY 255 N 1.47 0.57 0.00 6.12 0.00 -0.54 -4.95 105.19 107.86 3iax n GLY 255 Ca 0.08 -0.83 0.05 0.00 0.00 0.00 0.00 46.02 45.32 3iax n GLY 255 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 3iax n SER 256 N 1.59 1.68 -4.26 1.61 3.41 -1.26 -4.96 113.62 111.43 3iax n SER 256 Ca 0.00 -0.34 -0.14 0.00 -0.26 0.00 0.00 58.87 58.13 3iax n SER 256 Cb 0.12 1.23 -0.10 0.00 -0.26 0.00 0.00 64.21 65.20 3iax n SER 256 CO 0.00 0.00 0.00 -0.54 -0.16 0.00 0.00 175.04 174.34 3iax s LYS 257 N -2.29 1.11 -0.07 4.33 1.02 -1.26 -2.08 119.74 120.50 3iax s LYS 257 Ca -0.00 -1.52 0.01 0.00 0.02 0.00 0.00 55.97 54.48 3iax s LYS 257 Cb 0.07 -0.45 0.02 0.00 -0.52 0.00 0.00 37.83 36.94 3iax s LYS 257 CO 0.39 -0.04 -0.07 -1.17 -0.92 0.00 0.00 175.35 173.54 3iax s LEU 258 N -3.19 1.27 0.03 3.17 2.96 -0.74 -1.59 118.68 120.59 3iax s LEU 258 Ca 0.21 -0.21 -0.01 0.00 -0.22 0.00 0.00 54.13 53.91 3iax s LEU 258 Cb 0.05 -0.65 -0.04 0.00 0.50 0.00 0.00 46.19 46.05 3iax s LEU 258 CO 0.03 -0.07 0.16 0.00 -1.32 0.00 0.00 176.35 175.15 3iax s ALA 259 N 1.20 3.85 0.30 5.97 0.00 0.47 0.32 121.76 133.87 3iax s ALA 259 Ca -0.06 -0.84 -0.19 0.00 0.00 0.00 0.00 51.96 50.87 3iax s ALA 259 Cb -0.14 -1.75 0.05 0.00 0.00 0.00 0.00 23.12 21.28 3iax s ALA 259 CO -0.02 0.76 0.84 -0.59 0.00 0.00 0.00 175.76 176.76 3iax s PHE 260 N -1.37 0.01 -0.05 0.00 -0.12 -0.50 -1.24 117.98 114.70 3iax s PHE 260 Ca 0.29 -0.54 0.03 0.00 -0.05 0.00 0.00 56.93 56.66 3iax s PHE 260 Cb -0.13 0.76 -0.03 0.00 -0.63 0.00 0.00 43.02 43.00 3iax s PHE 260 CO 0.21 -1.29 -0.11 0.00 -0.05 0.00 0.00 175.22 173.98 3iax s ALA 261 N -2.78 2.81 -0.00 1.99 0.00 0.05 -1.35 121.76 122.48 3iax s ALA 261 Ca 0.15 -0.96 0.02 0.00 0.00 0.00 0.00 51.96 51.17 3iax s ALA 261 Cb -0.04 -1.06 -0.01 0.00 0.00 0.00 0.00 23.12 22.00 3iax s ALA 261 CO 0.08 0.57 -0.07 -0.51 0.00 0.00 0.00 175.76 175.83 3iax s LEU 262 N -0.85 2.03 -0.16 0.00 1.43 -0.69 -1.64 118.68 118.80 3iax s LEU 262 Ca 0.12 -0.15 0.18 0.00 -1.03 0.00 0.00 54.13 53.25 3iax s LEU 262 Cb -0.11 -0.32 0.40 0.00 0.03 0.00 0.00 46.19 46.19 3iax s LEU 262 CO 0.02 0.06 1.27 -1.54 0.23 0.00 0.00 176.35 176.38 3iax n SER 263 N 2.81 2.95 0.00 2.29 3.41 -1.14 -1.12 113.62 122.82 3iax n SER 263 Ca -0.14 -3.10 0.07 0.00 -0.26 0.00 0.00 58.87 55.44 3iax n SER 263 Cb 0.58 -0.48 0.33 0.00 -0.26 0.00 0.00 64.21 64.37 3iax n SER 263 CO 0.00 0.00 0.00 2.29 -0.16 0.00 0.00 175.04 177.17 3iax n LYS 264 N -1.05 0.00 0.09 4.33 -0.00 -1.26 -1.31 118.16 118.96 3iax n LYS 264 Ca 0.19 0.24 0.12 0.00 -0.00 0.00 0.00 58.31 58.85 3iax n LYS 264 Cb 0.75 -1.50 0.04 0.00 -0.00 0.00 0.00 35.03 34.32 3iax n LYS 264 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.40 177.65 3iax n THR 265 N -1.51 0.51 0.00 0.58 -2.24 -1.26 -4.93 114.28 105.43 3iax n THR 265 Ca 0.04 -0.46 0.00 0.00 -2.27 0.00 0.00 64.05 61.36 3iax n THR 265 Cb 0.18 -0.23 0.00 0.00 -2.10 0.00 0.00 70.33 68.18 3iax n THR 265 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3iax n GLY 266 N 1.24 1.31 3.25 3.38 0.00 -0.42 -5.09 105.19 108.85 3iax n GLY 266 Ca 0.01 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 45.94 3iax n GLY 266 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3iax s SER 267 N -0.11 0.14 0.15 1.61 1.04 -1.23 -5.06 113.70 110.25 3iax s SER 267 Ca 0.00 -0.90 -0.30 0.00 0.48 0.00 0.00 55.95 55.23 3iax s SER 267 Cb 0.00 0.37 -0.08 0.00 0.10 0.00 0.00 66.02 66.41 3iax s SER 267 CO 0.00 -0.80 1.23 -0.76 0.98 0.00 0.00 173.24 173.89 3iax s LEU 268 N -2.96 4.42 0.04 2.42 1.43 -1.26 -4.23 118.68 118.54 3iax s LEU 268 Ca 0.15 2.22 -0.02 0.00 -1.03 0.00 0.00 54.13 55.45 3iax s LEU 268 Cb 0.05 -3.60 -0.02 0.00 0.03 0.00 0.00 46.19 42.65 3iax s LEU 268 CO -0.03 -0.44 0.01 0.20 0.23 0.00 0.00 176.35 176.32 3iax s ASN 269 N 0.45 0.30 -0.01 2.29 0.01 -0.27 0.12 114.94 117.82 3iax s ASN 269 Ca 0.56 -0.67 -0.23 0.00 -0.71 0.00 0.00 52.86 51.80 3iax s ASN 269 Cb -0.33 0.17 -0.05 0.00 0.41 0.00 0.00 41.25 41.46 3iax s ASN 269 CO 0.35 -0.47 0.70 -0.76 -1.51 0.00 0.00 177.10 175.41 3iax s LEU 270 N -2.15 4.39 0.13 0.60 1.43 -1.26 -1.71 118.68 120.12 3iax s LEU 270 Ca -0.05 1.28 0.08 0.00 -1.03 0.00 0.00 54.13 54.42 3iax s LEU 270 Cb -0.01 -3.10 -0.04 0.00 0.03 0.00 0.00 46.19 43.07 3iax s LEU 270 CO -0.05 -0.01 -0.20 -0.31 0.23 0.00 0.00 176.35 176.01 3iax s TYR 271 N 0.23 1.81 -0.04 0.29 1.51 -0.46 0.47 117.35 121.17 3iax s TYR 271 Ca 0.36 -0.44 0.04 0.00 -1.01 0.00 0.00 57.07 56.02 3iax s TYR 271 Cb -0.19 -0.95 -0.00 0.00 -0.11 0.00 0.00 41.96 40.71 3iax s TYR 271 CO 0.20 0.27 -0.16 0.08 -1.11 0.00 0.00 175.55 174.83 3iax s VAL 272 N -1.58 1.31 -0.09 0.71 1.01 -0.74 -1.42 120.40 119.61 3iax s VAL 272 Ca 0.11 -0.66 0.00 0.00 0.00 0.00 0.00 61.98 61.43 3iax s VAL 272 Cb -0.08 -1.13 -0.03 0.00 0.00 0.00 0.00 36.38 35.15 3iax s VAL 272 CO 0.05 0.38 -0.08 -0.32 0.00 0.00 0.00 175.10 175.14 3iax s MET 273 N 0.01 2.94 -0.27 2.72 1.75 0.15 -0.52 119.30 126.08 3iax s MET 273 Ca -0.02 -0.57 -0.23 0.00 -1.25 0.00 0.00 55.69 53.61 3iax s MET 273 Cb -0.10 -2.62 -0.01 0.00 2.84 0.00 0.00 34.83 34.94 3iax s MET 273 CO 0.02 0.54 0.76 0.34 -0.65 0.00 0.00 175.02 176.03 3iax s ASP 274 N -0.48 6.69 0.23 1.11 2.15 -0.32 -1.79 116.67 124.27 3iax s ASP 274 Ca 0.07 0.79 0.10 0.00 0.43 0.00 0.00 52.55 53.94 3iax s ASP 274 Cb -0.12 -2.40 0.19 0.00 -0.30 0.00 0.00 42.92 40.29 3iax s ASP 274 CO 0.02 -0.52 1.51 -0.07 -0.17 0.00 0.00 175.17 175.93 3iax h LEU 275 N 9.24 0.00 -0.84 -1.34 3.38 -1.74 0.24 115.31 124.24 3iax h LEU 275 Ca -0.24 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 57.71 3iax h LEU 275 Cb 1.10 0.00 -0.04 0.00 0.09 0.00 0.00 40.66 41.81 3iax h LEU 275 CO 0.85 0.71 0.47 0.00 0.09 0.00 0.00 178.44 180.56 3iax h ALA 276 N 1.29 1.08 0.00 1.53 0.00 -1.92 -3.36 119.26 117.87 3iax h ALA 276 Ca -0.01 -0.12 -0.11 0.00 0.00 0.00 0.00 54.91 54.67 3iax h ALA 276 Cb 1.31 -0.34 -0.02 0.00 0.00 0.00 0.00 17.79 18.74 3iax h ALA 276 CO 0.09 0.57 -1.77 -1.13 0.00 0.00 0.00 179.25 177.02 3iax n SER 277 N -4.40 1.76 0.00 0.00 3.41 -1.19 -5.01 113.62 108.20 3iax n SER 277 Ca 0.08 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.69 3iax n SER 277 Cb 0.08 1.26 0.00 0.00 -0.26 0.00 0.00 64.21 65.29 3iax n SER 277 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3iax n GLY 278 N 1.93 0.59 3.75 5.00 0.00 0.84 -5.04 105.19 112.26 3iax n GLY 278 Ca -0.11 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.50 3iax n GLY 278 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 3iax s GLN 279 N -0.81 4.48 -0.08 1.61 2.00 -1.22 -4.78 119.66 120.86 3iax s GLN 279 Ca 0.00 1.94 0.04 0.00 -2.00 0.00 0.00 55.36 55.34 3iax s GLN 279 Cb 0.00 -3.20 -0.01 0.00 0.80 0.00 0.00 33.01 30.60 3iax s GLN 279 CO 0.00 -0.08 -0.21 0.42 -0.50 0.00 0.00 175.29 174.92 3iax s ILE 280 N -0.37 2.39 0.13 -2.34 1.01 -1.26 -1.17 121.20 119.60 3iax s ILE 280 Ca 0.51 -0.93 0.05 0.00 0.00 0.00 0.00 60.65 60.29 3iax s ILE 280 Cb -0.34 -1.92 -0.04 0.00 0.01 0.00 0.00 42.46 40.17 3iax s ILE 280 CO 0.40 0.56 0.09 -0.13 0.00 0.00 0.00 174.94 175.86 3iax s ARG 281 N 0.01 2.82 -0.20 2.79 0.52 0.32 -4.94 118.95 120.27 3iax s ARG 281 Ca -0.07 -0.83 -0.08 0.00 -0.52 0.00 0.00 55.73 54.22 3iax s ARG 281 Cb -0.15 -2.64 -0.04 0.00 0.52 0.00 0.00 34.95 32.64 3iax s ARG 281 CO 0.05 0.51 0.09 -1.14 0.02 0.00 0.00 175.30 174.83 3iax s GLN 282 N -2.79 3.98 -0.22 3.54 0.74 -1.26 -1.78 119.66 121.86 3iax s GLN 282 Ca 0.30 -0.33 0.13 0.00 0.05 0.00 0.00 55.36 55.50 3iax s GLN 282 Cb -0.11 -3.30 -0.22 0.00 1.10 0.00 0.00 33.01 30.48 3iax s GLN 282 CO 0.22 0.19 -0.03 0.28 -0.55 0.00 0.00 175.29 175.40 3iax n VAL 283 N 3.81 1.41 -4.29 1.34 0.31 0.18 -4.96 118.33 116.13 3iax n VAL 283 Ca -0.16 -0.76 -0.23 0.00 -0.01 0.00 0.00 64.34 63.19 3iax n VAL 283 Cb 0.52 -0.78 -0.12 0.00 -0.91 0.00 0.00 33.84 32.55 3iax n VAL 283 CO 0.00 0.00 0.00 0.42 -1.32 0.00 0.00 176.83 175.93 3iax s THR 284 N -2.50 1.68 0.03 2.52 -4.23 -1.00 -4.84 115.64 107.30 3iax s THR 284 Ca -0.18 -1.63 0.01 0.00 -1.18 0.00 0.00 61.69 58.71 3iax s THR 284 Cb 0.07 -1.60 -0.02 0.00 1.34 0.00 0.00 72.50 72.29 3iax s THR 284 CO 0.75 -0.16 -0.05 1.51 -0.54 0.00 0.00 174.62 176.13 3iax s ASP 285 N -2.12 0.53 0.00 3.99 1.47 -1.26 -4.41 116.67 114.87 3iax s ASP 285 Ca 0.08 -0.45 0.00 0.00 1.18 0.00 0.00 52.55 53.36 3iax s ASP 285 Cb -0.09 0.05 0.00 0.00 -0.34 0.00 0.00 42.92 42.54 3iax s ASP 285 CO 0.05 -0.20 0.00 0.61 0.68 0.00 0.00 175.17 176.30 3iax n GLY 286 N 1.77 3.76 0.02 2.12 0.00 -1.26 -4.96 105.19 106.64 3iax n GLY 286 Ca -0.22 -0.17 0.13 0.00 0.00 0.00 0.00 46.02 45.76 3iax n GLY 286 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3iax n ARG 287 N -0.69 0.05 -1.72 1.61 5.12 -1.26 -4.76 116.66 115.01 3iax n ARG 287 Ca 0.00 0.09 -0.29 0.00 -1.93 0.00 0.00 57.85 55.72 3iax n ARG 287 Cb 0.00 -1.56 0.11 0.00 -1.16 0.00 0.00 32.46 29.85 3iax n ARG 287 CO 0.00 0.00 0.00 -1.54 -1.93 0.00 0.00 177.63 174.16 3iax s SER 288 N -3.27 4.11 -0.19 0.55 1.04 -1.26 -4.71 113.70 109.97 3iax s SER 288 Ca 0.12 0.91 -0.16 0.00 0.48 0.00 0.00 55.95 57.29 3iax s SER 288 Cb 0.16 -1.46 -0.04 0.00 0.10 0.00 0.00 66.02 64.78 3iax s SER 288 CO 0.49 -2.17 0.42 0.20 0.98 0.00 0.00 173.24 173.16 3iax s ASN 289 N -4.29 6.48 -0.21 7.02 0.01 -1.26 -4.13 114.94 118.57 3iax s ASN 289 Ca 0.63 0.57 0.01 0.00 -0.71 0.00 0.00 52.86 53.36 3iax s ASN 289 Cb -0.13 -2.24 0.04 0.00 0.41 0.00 0.00 41.25 39.33 3iax s ASN 289 CO 0.51 -0.07 -0.14 0.20 -1.51 0.00 0.00 177.10 176.09 3iax s ASN 290 N 0.98 3.56 0.33 -1.22 0.01 0.32 -2.64 114.94 116.28 3iax s ASN 290 Ca 0.20 -0.93 0.02 0.00 -0.71 0.00 0.00 52.86 51.44 3iax s ASN 290 Cb -0.15 -1.39 -0.01 0.00 0.41 0.00 0.00 41.25 40.11 3iax s ASN 290 CO 0.08 -0.11 0.40 1.07 -1.51 0.00 0.00 177.10 177.04 3iax n THR 291 N 4.60 0.00 -3.38 1.60 5.66 -0.40 -2.97 114.28 119.39 3iax n THR 291 Ca -0.17 -1.96 -0.17 0.00 -3.05 0.00 0.00 64.05 58.71 3iax n THR 291 Cb 0.47 1.11 0.08 0.00 -1.55 0.00 0.00 70.33 70.43 3iax n THR 291 CO 0.00 0.00 0.00 -0.62 -3.05 0.00 0.00 175.07 171.40 3iax n GLU 292 N -0.58 -4.42 -1.84 1.09 1.02 -1.26 -0.36 120.64 114.29 3iax n GLU 292 Ca 0.03 0.83 -0.38 0.00 -0.02 0.00 0.00 57.16 57.62 3iax n GLU 292 Cb 0.58 -5.74 0.03 0.00 -0.02 0.00 0.00 31.44 26.29 3iax n GLU 292 CO 0.00 0.00 0.00 -1.25 1.18 0.00 0.00 177.13 177.06 3iax s PRO 293 N -5.01 3.24 -0.06 3.49 0.04 -1.26 -4.17 135.00 131.27 3iax s PRO 293 Ca 0.22 2.18 -0.04 0.00 0.04 0.00 0.00 61.00 63.40 3iax s PRO 293 Cb -0.03 -2.29 0.03 0.00 0.04 0.00 0.00 34.50 32.24 3iax s PRO 293 CO 0.75 -1.09 0.15 -0.08 0.04 0.00 0.00 177.00 176.77 3iax s THR 294 N -1.33 -0.02 0.40 1.26 -1.32 -0.48 -4.64 115.64 109.51 3iax s THR 294 Ca 0.70 0.08 -0.13 0.00 -1.21 0.00 0.00 61.69 61.13 3iax s THR 294 Cb -0.39 -0.24 -0.08 0.00 -1.51 0.00 0.00 72.50 70.29 3iax s THR 294 CO 0.46 0.03 0.80 0.26 -2.21 0.00 0.00 174.62 173.97 3iax s TRP 295 N 0.62 3.43 0.32 9.09 0.52 -1.26 -1.10 118.94 130.56 3iax s TRP 295 Ca -0.04 1.18 0.01 0.00 0.02 0.00 0.00 56.10 57.27 3iax s TRP 295 Cb -0.06 -2.54 -0.03 0.00 -1.15 0.00 0.00 33.47 29.69 3iax s TRP 295 CO -0.03 -0.10 0.51 -0.06 0.02 0.00 0.00 176.95 177.29 3iax s PHE 296 N -2.30 3.49 -0.03 -1.98 0.40 -0.99 -4.49 117.98 112.09 3iax s PHE 296 Ca 0.54 0.29 0.27 0.00 -0.60 0.00 0.00 56.93 57.43 3iax s PHE 296 Cb -0.10 -1.84 1.44 0.00 0.51 0.00 0.00 43.02 43.03 3iax s PHE 296 CO 0.27 0.19 1.83 -1.35 0.70 0.00 0.00 175.22 176.86 3iax h PRO 297 N 0.87 0.00 -0.10 0.24 0.11 -1.83 -2.91 132.00 128.39 3iax h PRO 297 Ca -0.50 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.61 3iax h PRO 297 Cb 1.22 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.33 3iax h PRO 297 CO 0.61 0.00 0.00 -0.40 -0.21 0.00 0.00 178.00 178.00 3iax n ASP 298 N -2.46 1.32 -2.99 -2.05 5.75 -1.26 -4.82 116.55 110.04 3iax n ASP 298 Ca -0.01 -1.57 -0.17 0.00 -0.01 0.00 0.00 54.79 53.02 3iax n ASP 298 Cb 0.07 -0.06 -0.01 0.00 -1.03 0.00 0.00 41.12 40.10 3iax n ASP 298 CO 0.00 0.00 0.00 -1.20 -0.11 0.00 0.00 177.20 175.89 3iax n SER 299 N 0.07 -3.42 0.00 -1.12 7.64 -1.10 -4.80 113.62 110.90 3iax n SER 299 Ca 0.17 -0.11 0.00 0.00 1.01 0.00 0.00 58.87 59.94 3iax n SER 299 Cb 0.29 -2.88 0.00 0.00 -1.01 0.00 0.00 64.21 60.61 3iax n SER 299 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 3iax n GLN 300 N -3.29 0.76 -4.22 1.43 1.13 -1.26 -5.02 117.38 106.91 3iax n GLN 300 Ca -0.05 0.00 -0.26 0.00 -1.94 0.00 0.00 57.00 54.75 3iax n GLN 300 Cb 0.56 -0.89 -0.08 0.00 0.11 0.00 0.00 30.24 29.94 3iax n GLN 300 CO 0.00 0.00 0.00 -0.80 -1.44 0.00 0.00 177.06 174.82 3iax s ASN 301 N -3.48 4.76 0.06 1.08 0.01 -1.26 -2.07 114.94 114.03 3iax s ASN 301 Ca 0.00 -0.43 0.04 0.00 -0.71 0.00 0.00 52.86 51.76 3iax s ASN 301 Cb 0.00 -1.00 -0.03 0.00 0.41 0.00 0.00 41.25 40.63 3iax s ASN 301 CO 0.00 0.07 -0.12 -0.76 -1.51 0.00 0.00 177.10 174.79 3iax s LEU 302 N -3.08 2.27 0.07 0.60 1.43 -0.50 -2.33 118.68 117.14 3iax s LEU 302 Ca 0.28 -0.60 0.05 0.00 -1.03 0.00 0.00 54.13 52.83 3iax s LEU 302 Cb -0.09 -0.37 -0.04 0.00 0.03 0.00 0.00 46.19 45.72 3iax s LEU 302 CO 0.19 -0.13 -0.02 0.00 0.23 0.00 0.00 176.35 176.62 3iax s ALA 303 N -1.36 3.22 0.36 4.21 0.00 -0.26 -2.17 121.76 125.77 3iax s ALA 303 Ca -0.05 -1.10 -0.12 0.00 0.00 0.00 0.00 51.96 50.69 3iax s ALA 303 Cb -0.10 -1.17 0.03 0.00 0.00 0.00 0.00 23.12 21.89 3iax s ALA 303 CO 0.01 0.68 0.67 -0.59 0.00 0.00 0.00 175.76 176.54 3iax s PHE 304 N -1.24 0.42 -0.10 0.00 -0.71 -0.64 -1.38 117.98 114.32 3iax s PHE 304 Ca 0.24 -0.93 -0.02 0.00 -1.04 0.00 0.00 56.93 55.18 3iax s PHE 304 Cb -0.12 0.51 -0.03 0.00 -1.21 0.00 0.00 43.02 42.18 3iax s PHE 304 CO 0.16 -1.39 -0.02 0.99 -1.34 0.00 0.00 175.22 173.62 3iax s THR 305 N -2.70 4.13 -0.01 -4.49 2.01 0.52 -0.47 115.64 114.63 3iax s THR 305 Ca 0.20 -0.30 0.01 0.00 0.31 0.00 0.00 61.69 61.91 3iax s THR 305 Cb -0.03 -2.75 -0.00 0.00 0.01 0.00 0.00 72.50 69.72 3iax s THR 305 CO 0.14 0.57 -0.04 -0.55 -0.69 0.00 0.00 174.62 174.05 3iax s SER 306 N -0.54 0.50 0.00 3.53 0.15 -0.68 -1.27 113.70 115.39 3iax s SER 306 Ca 0.09 -0.07 0.26 0.00 0.70 0.00 0.00 55.95 56.92 3iax s SER 306 Cb -0.12 -0.08 0.57 0.00 -1.71 0.00 0.00 66.02 64.69 3iax s SER 306 CO 0.02 0.04 1.48 -0.90 1.20 0.00 0.00 173.24 175.08 3iax n ASP 307 N 3.08 2.35 0.26 5.45 5.68 -1.08 -1.77 116.55 130.52 3iax n ASP 307 Ca -0.14 -1.78 0.11 0.00 -0.50 0.00 0.00 54.79 52.47 3iax n ASP 307 Cb 0.58 -0.01 0.43 0.00 -1.14 0.00 0.00 41.12 40.98 3iax n ASP 307 CO 0.00 0.00 0.00 -0.61 -1.33 0.00 0.00 177.20 175.26 3iax h GLN 308 N 3.65 0.00 -0.41 0.11 4.15 -1.91 1.13 115.11 121.83 3iax h GLN 308 Ca 0.00 0.00 0.00 0.00 0.77 0.00 0.00 58.65 59.42 3iax h GLN 308 Cb 0.78 0.00 0.00 0.00 0.21 0.00 0.00 27.48 28.47 3iax h GLN 308 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 178.83 176.90 3iax n ALA 309 N -1.80 2.75 0.00 3.38 0.00 -1.26 -5.04 120.51 118.54 3iax n ALA 309 Ca 0.02 -1.70 0.00 0.00 0.00 0.00 0.00 53.44 51.76 3iax n ALA 309 Cb 0.78 -0.71 0.00 0.00 0.00 0.00 0.00 19.45 19.52 3iax n ALA 309 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3iax n GLY 310 N 0.32 1.06 3.75 0.00 0.00 0.39 -4.97 105.19 105.75 3iax n GLY 310 Ca 0.19 -0.76 -0.40 0.00 0.00 0.00 0.00 46.02 45.05 3iax n GLY 310 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3iax s ARG 311 N 0.00 4.64 0.14 1.61 0.52 -1.26 -4.72 118.95 119.88 3iax s ARG 311 Ca 0.00 1.29 -0.32 0.00 -0.52 0.00 0.00 55.73 56.18 3iax s ARG 311 Cb 0.00 -3.34 -0.18 0.00 0.52 0.00 0.00 34.95 31.96 3iax s ARG 311 CO 0.00 0.35 0.75 -2.30 0.02 0.00 0.00 175.30 174.12 3iax n PRO 312 N 2.35 0.13 -4.04 3.54 -0.02 -1.26 -4.81 135.00 130.89 3iax n PRO 312 Ca -0.01 0.05 -0.08 0.00 -2.02 0.00 0.00 63.50 61.43 3iax n PRO 312 Cb 0.49 -1.24 -0.10 0.00 -0.02 0.00 0.00 33.50 32.62 3iax n PRO 312 CO 0.00 0.00 0.00 -0.65 1.98 0.00 0.00 175.50 176.83 3iax s GLN 313 N -0.68 0.50 -0.10 -0.52 -1.52 -0.73 -0.82 119.66 115.80 3iax s GLN 313 Ca 0.72 -0.96 -0.22 0.00 -1.95 0.00 0.00 55.36 52.95 3iax s GLN 313 Cb -1.02 0.18 -0.04 0.00 -0.22 0.00 0.00 33.01 31.91 3iax s GLN 313 CO 0.56 -0.09 0.64 0.08 -0.25 0.00 0.00 175.29 176.23 3iax s VAL 314 N -2.94 5.08 0.45 1.09 1.01 -1.19 -1.69 120.40 122.20 3iax s VAL 314 Ca -0.02 1.30 0.03 0.00 0.00 0.00 0.00 61.98 63.29 3iax s VAL 314 Cb 0.01 -3.98 -0.04 0.00 0.00 0.00 0.00 36.38 32.38 3iax s VAL 314 CO -0.06 0.25 0.03 -0.31 0.00 0.00 0.00 175.10 175.01 3iax s TYR 315 N 0.91 2.03 0.03 5.22 1.51 0.38 -1.85 117.35 125.58 3iax s TYR 315 Ca 0.34 -0.94 -0.04 0.00 -1.01 0.00 0.00 57.07 55.42 3iax s TYR 315 Cb -0.17 -1.55 -0.01 0.00 -0.11 0.00 0.00 41.96 40.12 3iax s TYR 315 CO 0.15 0.18 0.07 -1.59 -1.11 0.00 0.00 175.55 173.25 3iax s LYS 316 N -3.81 0.53 -0.15 -0.62 -2.85 0.89 -1.62 119.74 112.11 3iax s LYS 316 Ca 0.19 -0.74 -0.29 0.00 -1.00 0.00 0.00 55.97 54.13 3iax s LYS 316 Cb 0.05 0.21 0.09 0.00 -2.06 0.00 0.00 37.83 36.11 3iax s LYS 316 CO 0.10 -0.12 0.79 0.54 0.10 0.00 0.00 175.35 176.76 3iax s VAL 317 N -2.42 0.00 0.28 1.79 0.11 -0.92 -0.47 120.40 118.77 3iax s VAL 317 Ca -0.07 0.00 -0.16 0.00 -2.93 0.00 0.00 61.98 58.82 3iax s VAL 317 Cb -0.02 -1.00 -0.09 0.00 -1.53 0.00 0.00 36.38 33.74 3iax s VAL 317 CO -0.04 0.00 0.72 0.21 -3.33 0.00 0.00 175.10 172.66 3iax s ASN 318 N -0.62 6.86 0.00 3.54 2.47 -1.26 -1.41 114.94 124.52 3iax s ASN 318 Ca -0.05 1.30 0.26 0.00 0.42 0.00 0.00 52.86 54.79 3iax s ASN 318 Cb -0.02 -2.38 1.10 0.00 -1.45 0.00 0.00 41.25 38.51 3iax s ASN 318 CO 0.04 -0.11 1.82 2.30 -3.72 0.00 0.00 177.10 177.43 3iax n ILE 319 N 0.02 0.24 1.04 -5.21 -5.35 -0.88 -2.36 119.36 106.86 3iax n ILE 319 Ca 0.01 0.06 0.12 0.00 -0.27 0.00 0.00 62.75 62.67 3iax n ILE 319 Cb 0.52 -0.62 0.32 0.00 -1.74 0.00 0.00 39.64 38.12 3iax n ILE 319 CO 0.00 0.00 0.00 0.59 -1.76 0.00 0.00 176.55 175.38 3iax n ASN 320 N -1.49 2.31 0.00 7.28 4.13 -1.26 -4.84 115.26 121.39 3iax n ASN 320 Ca 0.06 -1.79 0.00 0.00 1.68 0.00 0.00 54.58 54.54 3iax n ASN 320 Cb 0.30 -0.09 0.00 0.00 -1.54 0.00 0.00 39.78 38.44 3iax n ASN 320 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 3iax n GLY 321 N 1.27 -0.28 0.00 7.41 0.00 -0.99 -5.13 105.19 107.47 3iax n GLY 321 Ca 0.17 -2.25 0.00 0.00 0.00 0.00 0.00 46.02 43.94 3iax n GLY 321 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3iax n GLY 322 N -0.11 1.66 3.89 -0.02 0.00 -1.26 -4.32 105.19 105.03 3iax n GLY 322 Ca 0.00 -1.99 -0.31 0.00 0.00 0.00 0.00 46.02 43.72 3iax n GLY 322 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3iax s ALA 323 N -2.21 3.63 0.71 4.61 0.00 -1.26 -4.83 121.76 122.40 3iax s ALA 323 Ca 0.00 -0.44 -0.11 0.00 0.00 0.00 0.00 51.96 51.42 3iax s ALA 323 Cb 0.00 -2.32 0.01 0.00 0.00 0.00 0.00 23.12 20.81 3iax s ALA 323 CO 0.00 0.44 1.06 -2.14 0.00 0.00 0.00 175.76 175.13 3iax s PRO 324 N -3.05 2.84 -0.02 0.00 0.02 -1.26 -4.82 135.00 128.71 3iax s PRO 324 Ca 0.45 0.87 0.04 0.00 0.02 0.00 0.00 61.00 62.38 3iax s PRO 324 Cb -0.11 -1.99 -0.01 0.00 0.02 0.00 0.00 34.50 32.41 3iax s PRO 324 CO 0.25 -1.14 -0.14 -1.14 -0.33 0.00 0.00 177.00 174.49 3iax s GLN 325 N -5.09 1.30 0.37 5.54 0.74 0.38 -4.89 119.66 118.02 3iax s GLN 325 Ca 0.58 -0.51 -0.26 0.00 0.05 0.00 0.00 55.36 55.21 3iax s GLN 325 Cb -0.14 -1.21 -0.09 0.00 1.10 0.00 0.00 33.01 32.67 3iax s GLN 325 CO 0.55 0.27 1.19 0.50 -0.55 0.00 0.00 175.29 177.25 3iax s ARG 326 N -0.18 4.19 0.00 1.67 3.52 -1.26 -0.08 118.95 126.81 3iax s ARG 326 Ca 0.02 1.91 0.00 0.00 -0.13 0.00 0.00 55.73 57.53 3iax s ARG 326 Cb -0.07 -2.82 0.00 0.00 -1.56 0.00 0.00 34.95 30.49 3iax s ARG 326 CO 0.00 -0.22 0.10 0.44 -0.81 0.00 0.00 175.30 174.81 3iax n ILE 327 N 0.36 0.00 -3.81 4.11 -5.35 -0.77 -4.87 119.36 109.03 3iax n ILE 327 Ca 0.03 -0.24 -0.36 0.00 -0.27 0.00 0.00 62.75 61.90 3iax n ILE 327 Cb 0.45 1.20 -0.12 0.00 -1.74 0.00 0.00 39.64 39.43 3iax n ILE 327 CO 0.00 0.00 0.00 0.42 -1.76 0.00 0.00 176.55 175.21 3iax s THR 328 N -0.29 3.31 -1.36 7.28 -4.23 -1.22 -4.93 115.64 114.21 3iax s THR 328 Ca 0.00 -1.62 0.12 0.00 -1.18 0.00 0.00 61.69 59.00 3iax s THR 328 Cb 0.00 -3.06 0.07 0.00 1.34 0.00 0.00 72.50 70.85 3iax s THR 328 CO 0.00 -0.38 0.82 0.79 -0.54 0.00 0.00 174.62 175.30 3iax n TRP 329 N 4.66 0.00 -3.45 3.99 7.02 -1.26 -4.75 117.44 123.65 3iax n TRP 329 Ca -0.08 0.00 -0.38 0.00 -1.02 0.00 0.00 57.50 56.02 3iax n TRP 329 Cb 0.43 0.00 -0.09 0.00 -2.42 0.00 0.00 31.31 29.23 3iax n TRP 329 CO 0.00 0.00 0.00 -1.21 -2.02 0.00 0.00 177.69 174.46 3iax s GLU 330 N -1.14 4.08 0.00 -0.99 0.41 -1.26 -4.96 118.70 114.85 3iax s GLU 330 Ca 0.13 0.02 0.00 0.00 -0.41 0.00 0.00 54.97 54.71 3iax s GLU 330 Cb 0.10 -3.59 0.00 0.00 -1.78 0.00 0.00 34.13 28.86 3iax s GLU 330 CO 0.19 -0.12 0.00 0.41 -0.49 0.00 0.00 175.26 175.25 3iax n GLY 331 N 4.36 -0.42 0.17 -1.39 0.00 -1.26 -4.74 105.19 101.90 3iax n GLY 331 Ca -0.10 -1.73 0.10 0.00 0.00 0.00 0.00 46.02 44.29 3iax n GLY 331 CO 0.00 0.00 0.00 1.76 0.00 0.00 0.00 173.32 175.08 3iax h SER 332 N 0.00 0.00 -2.82 1.61 0.02 -1.81 -3.46 113.55 107.08 3iax h SER 332 Ca 0.00 0.00 0.02 0.00 -0.84 0.00 0.00 61.79 60.97 3iax h SER 332 Cb 0.00 0.00 -0.21 0.00 0.14 0.00 0.00 62.40 62.33 3iax h SER 332 CO 0.00 0.08 -0.02 -1.58 -1.14 0.00 0.00 176.83 174.17 3iax s GLN 333 N -3.22 0.67 -0.04 3.45 0.74 -1.25 -4.76 119.66 115.25 3iax s GLN 333 Ca 0.04 1.25 -0.01 0.00 0.05 0.00 0.00 55.36 56.69 3iax s GLN 333 Cb 0.07 0.27 0.03 0.00 1.10 0.00 0.00 33.01 34.48 3iax s GLN 333 CO 0.72 -0.16 0.04 -0.80 -0.55 0.00 0.00 175.29 174.54 3iax s ASN 334 N 1.87 0.97 0.20 6.67 0.01 -0.00 -0.90 114.94 123.76 3iax s ASN 334 Ca -0.09 0.03 -0.05 0.00 -0.71 0.00 0.00 52.86 52.04 3iax s ASN 334 Cb -0.06 -0.19 -0.03 0.00 0.41 0.00 0.00 41.25 41.38 3iax s ASN 334 CO -0.19 -0.20 0.24 0.00 -1.51 0.00 0.00 177.10 175.43 3iax s GLN 335 N 1.83 1.27 -0.90 -0.60 -2.07 -0.17 -2.90 119.66 116.12 3iax s GLN 335 Ca 0.01 -1.46 -0.03 0.00 -1.82 0.00 0.00 55.36 52.06 3iax s GLN 335 Cb -0.12 0.33 -0.04 0.00 -1.09 0.00 0.00 33.01 32.09 3iax s GLN 335 CO -0.03 -0.45 0.81 -3.47 -1.32 0.00 0.00 175.29 170.83 3iax n ASP 336 N -0.28 -7.20 -4.89 12.60 -0.08 -1.26 -1.59 116.55 113.84 3iax n ASP 336 Ca -0.01 -0.40 -0.29 0.00 -1.51 0.00 0.00 54.79 52.58 3iax n ASP 336 Cb 0.64 -5.25 -0.02 0.00 2.34 0.00 0.00 41.12 38.84 3iax n ASP 336 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 3iax s ALA 337 N -3.20 3.40 -0.13 -1.67 0.00 -1.26 -4.24 121.76 114.66 3iax s ALA 337 Ca 0.24 -0.38 -0.03 0.00 0.00 0.00 0.00 51.96 51.79 3iax s ALA 337 Cb -0.03 -2.62 0.04 0.00 0.00 0.00 0.00 23.12 20.52 3iax s ALA 337 CO 0.75 -0.16 0.03 0.34 0.00 0.00 0.00 175.76 176.72 3iax s ASP 338 N -3.62 2.14 0.11 0.00 2.15 -0.62 -4.71 116.67 112.12 3iax s ASP 338 Ca 0.49 -0.42 -0.23 0.00 0.43 0.00 0.00 52.55 52.82 3iax s ASP 338 Cb -0.10 -0.43 -0.07 0.00 -0.30 0.00 0.00 42.92 42.01 3iax s ASP 338 CO 0.38 -0.26 0.69 -0.69 -0.17 0.00 0.00 175.17 175.11 3iax s VAL 339 N 1.98 4.57 0.94 1.11 1.01 -1.26 -1.08 120.40 127.67 3iax s VAL 339 Ca 0.02 1.50 -0.11 0.00 0.00 0.00 0.00 61.98 63.39 3iax s VAL 339 Cb -0.15 -4.04 0.14 0.00 0.00 0.00 0.00 36.38 32.33 3iax s VAL 339 CO -0.07 0.51 1.00 -1.54 0.00 0.00 0.00 175.10 175.00 3iax n SER 340 N 1.86 -0.24 0.26 3.32 3.41 0.37 -4.89 113.62 117.71 3iax n SER 340 Ca -0.07 0.36 0.14 0.00 -0.26 0.00 0.00 58.87 59.04 3iax n SER 340 Cb 0.50 -1.41 0.71 0.00 -0.26 0.00 0.00 64.21 63.74 3iax n SER 340 CO 0.00 0.00 0.00 0.77 -0.16 0.00 0.00 175.04 175.65 3iax h SER 341 N -1.90 0.00 0.02 4.04 4.64 -1.89 -2.34 113.55 116.13 3iax h SER 341 Ca -0.44 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.88 3iax h SER 341 Cb 1.28 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.37 3iax h SER 341 CO 0.40 0.11 -0.15 -0.90 -0.87 0.00 0.00 176.83 175.43 3iax n ASP 342 N -3.42 2.05 -1.01 4.97 5.68 -1.26 -4.65 116.55 118.90 3iax n ASP 342 Ca -0.01 -1.57 -0.13 0.00 -0.50 0.00 0.00 54.79 52.58 3iax n ASP 342 Cb 0.28 0.13 -0.06 0.00 -1.14 0.00 0.00 41.12 40.33 3iax n ASP 342 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 3iax n GLY 343 N 1.32 1.38 0.12 6.12 0.00 -0.88 -4.89 105.19 108.36 3iax n GLY 343 Ca 0.14 -0.34 0.01 0.00 0.00 0.00 0.00 46.02 45.82 3iax n GLY 343 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3iax h LYS 344 N 0.02 0.00 -3.24 1.61 1.57 -1.93 -3.46 116.57 111.14 3iax h LYS 344 Ca -0.27 0.00 -0.04 0.00 -1.87 0.00 0.00 60.65 58.47 3iax h LYS 344 Cb 0.90 0.00 -0.04 0.00 0.08 0.00 0.00 32.23 33.17 3iax h LYS 344 CO 0.40 0.52 0.15 -0.59 -0.57 0.00 0.00 179.45 179.35 3iax s PHE 345 N -2.93 0.20 -0.00 -1.35 -0.71 -1.26 -0.84 117.98 111.09 3iax s PHE 345 Ca 0.02 -0.72 -0.04 0.00 -1.04 0.00 0.00 56.93 55.16 3iax s PHE 345 Cb 0.08 0.59 -0.00 0.00 -1.21 0.00 0.00 43.02 42.48 3iax s PHE 345 CO 0.76 -1.35 0.07 0.00 -1.34 0.00 0.00 175.22 173.37 3iax s MET 346 N -3.07 0.32 0.20 1.99 0.23 -1.04 -0.48 119.30 117.44 3iax s MET 346 Ca 0.17 -0.33 0.06 0.00 -1.03 0.00 0.00 55.69 54.57 3iax s MET 346 Cb -0.04 0.13 -0.04 0.00 -1.53 0.00 0.00 34.83 33.35 3iax s MET 346 CO 0.11 -0.06 0.13 0.14 -2.03 0.00 0.00 175.02 173.31 3iax s VAL 347 N -1.02 4.32 0.21 5.16 -7.23 -0.24 -0.33 120.40 121.27 3iax s VAL 347 Ca -0.11 -1.27 -0.23 0.00 -1.81 0.00 0.00 61.98 58.56 3iax s VAL 347 Cb -0.06 -3.25 0.05 0.00 0.56 0.00 0.00 36.38 33.68 3iax s VAL 347 CO 0.00 -0.20 0.88 0.00 -0.31 0.00 0.00 175.10 175.48 3iax s MET 348 N -3.35 1.44 -0.25 4.82 0.23 -0.05 -1.58 119.30 120.55 3iax s MET 348 Ca 0.31 -0.82 -0.15 0.00 -1.03 0.00 0.00 55.69 54.01 3iax s MET 348 Cb -0.09 0.48 -0.04 0.00 -1.53 0.00 0.00 34.83 33.65 3iax s MET 348 CO 0.23 -0.66 0.37 0.08 -2.03 0.00 0.00 175.02 173.01 3iax s VAL 349 N -3.35 5.19 -0.02 5.16 1.01 -0.62 -1.24 120.40 126.54 3iax s VAL 349 Ca 0.13 0.58 0.04 0.00 0.00 0.00 0.00 61.98 62.73 3iax s VAL 349 Cb -0.03 -3.69 -0.01 0.00 0.00 0.00 0.00 36.38 32.65 3iax s VAL 349 CO 0.04 0.19 -0.14 -0.55 0.00 0.00 0.00 175.10 174.65 3iax s SER 350 N 1.45 1.70 -0.31 3.32 0.15 -0.32 -1.00 113.70 118.68 3iax s SER 350 Ca 0.16 -0.27 -0.10 0.00 0.70 0.00 0.00 55.95 56.44 3iax s SER 350 Cb -0.15 -0.30 -0.01 0.00 -1.71 0.00 0.00 66.02 63.84 3iax s SER 350 CO 0.09 0.15 0.16 -0.44 1.20 0.00 0.00 173.24 174.40 3iax s SER 351 N -0.15 5.63 -0.05 5.45 0.01 -0.08 -1.71 113.70 122.79 3iax s SER 351 Ca 0.02 -0.45 -0.04 0.00 1.31 0.00 0.00 55.95 56.79 3iax s SER 351 Cb -0.07 -2.03 0.02 0.00 0.21 0.00 0.00 66.02 64.15 3iax s SER 351 CO 0.00 -0.18 0.14 0.20 0.41 0.00 0.00 173.24 173.81 3iax s ASN 352 N 1.64 -0.14 -1.47 2.44 0.01 -0.52 -2.19 114.94 114.71 3iax s ASN 352 Ca 0.05 0.28 0.00 0.00 -0.71 0.00 0.00 52.86 52.48 3iax s ASN 352 Cb -0.17 0.27 0.00 0.00 0.41 0.00 0.00 41.25 41.76 3iax s ASN 352 CO 0.07 -0.06 0.00 0.61 -1.51 0.00 0.00 177.10 176.21 3iax n GLY 353 N 3.21 0.44 1.00 0.66 0.00 -1.26 -2.34 105.19 106.90 3iax n GLY 353 Ca -0.15 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.87 3iax n GLY 353 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3iax n GLY 354 N -0.60 0.74 3.81 -0.02 0.00 -1.26 -5.06 105.19 102.81 3iax n GLY 354 Ca -0.17 -0.10 -0.08 0.00 0.00 0.00 0.00 46.02 45.68 3iax n GLY 354 CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 3iax s GLN 355 N -0.59 1.80 -0.27 1.61 -2.07 -0.99 -5.13 119.66 114.03 3iax s GLN 355 Ca 0.00 -1.08 -0.08 0.00 -1.82 0.00 0.00 55.36 52.39 3iax s GLN 355 Cb 0.00 0.59 -0.02 0.00 -1.09 0.00 0.00 33.01 32.49 3iax s GLN 355 CO 0.00 -0.82 0.09 1.14 -1.32 0.00 0.00 175.29 174.38 3iax s GLN 356 N -3.77 3.47 0.22 9.60 -2.07 -1.26 -1.44 119.66 124.41 3iax s GLN 356 Ca 0.13 -0.61 0.00 0.00 -1.82 0.00 0.00 55.36 53.07 3iax s GLN 356 Cb -0.05 -3.39 -0.05 0.00 -1.09 0.00 0.00 33.01 28.43 3iax s GLN 356 CO 0.08 -0.29 0.09 -1.01 -1.32 0.00 0.00 175.29 172.84 3iax s HIS 357 N 1.59 1.34 -0.00 9.60 3.76 -0.69 -3.97 115.29 126.91 3iax s HIS 357 Ca 0.05 -1.23 -0.30 0.00 -0.15 0.00 0.00 55.06 53.43 3iax s HIS 357 Cb -0.16 -0.75 -0.04 0.00 1.11 0.00 0.00 32.58 32.75 3iax s HIS 357 CO 0.04 -0.43 1.11 0.42 -0.85 0.00 0.00 174.74 175.03 3iax s ILE 358 N -3.89 4.43 -0.00 0.60 -1.09 -1.26 -1.18 121.20 118.81 3iax s ILE 358 Ca 0.36 1.74 -0.03 0.00 -2.23 0.00 0.00 60.65 60.48 3iax s ILE 358 Cb 0.07 -4.12 -0.00 0.00 -1.58 0.00 0.00 42.46 36.83 3iax s ILE 358 CO 0.11 0.09 0.06 0.00 -1.23 0.00 0.00 174.94 173.98 3iax s ALA 359 N 1.42 -0.14 -0.05 9.38 0.00 -0.37 -0.55 121.76 131.45 3iax s ALA 359 Ca 0.55 -0.15 -0.19 0.00 0.00 0.00 0.00 51.96 52.17 3iax s ALA 359 Cb -0.24 0.03 -0.05 0.00 0.00 0.00 0.00 23.12 22.86 3iax s ALA 359 CO 0.26 -0.13 0.53 0.21 0.00 0.00 0.00 175.76 176.62 3iax s LYS 360 N -0.90 4.28 -0.24 0.00 2.20 -0.82 -0.88 119.74 123.39 3iax s LYS 360 Ca -0.10 0.58 0.01 0.00 -0.36 0.00 0.00 55.97 56.10 3iax s LYS 360 Cb -0.06 -3.37 0.06 0.00 -1.51 0.00 0.00 37.83 32.95 3iax s LYS 360 CO 0.00 0.31 -0.04 -1.14 -0.36 0.00 0.00 175.35 174.12 3iax s GLN 361 N 0.07 1.54 -0.02 4.03 0.74 0.55 -2.26 119.66 124.31 3iax s GLN 361 Ca 0.28 -0.99 -0.30 0.00 0.05 0.00 0.00 55.36 54.41 3iax s GLN 361 Cb -0.17 -2.57 -0.08 0.00 1.10 0.00 0.00 33.01 31.30 3iax s GLN 361 CO 0.14 -0.62 1.98 0.34 -0.55 0.00 0.00 175.29 176.58 3iax s ASP 362 N 1.41 6.28 0.47 6.67 -1.08 -0.69 -2.51 116.67 127.22 3iax s ASP 362 Ca -0.05 2.48 0.27 0.00 -0.52 0.00 0.00 52.55 54.73 3iax s ASP 362 Cb -0.19 -2.53 0.82 0.00 -1.46 0.00 0.00 42.92 39.56 3iax s ASP 362 CO -0.07 -1.21 1.78 -0.07 0.52 0.00 0.00 175.17 176.12 3iax h LEU 363 N 11.41 0.00 0.00 -1.34 3.38 -1.31 -0.34 115.31 127.12 3iax h LEU 363 Ca -0.47 0.00 -0.00 0.00 0.09 0.00 0.00 57.88 57.50 3iax h LEU 363 Cb 1.23 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.98 3iax h LEU 363 CO 0.95 0.09 -0.04 0.00 0.09 0.00 0.00 178.44 179.52 3iax h ALA 364 N 1.91 0.00 0.09 1.53 0.00 -1.89 -3.43 119.26 117.48 3iax h ALA 364 Ca -0.00 -0.19 -0.00 0.00 0.00 0.00 0.00 54.91 54.72 3iax h ALA 364 Cb 0.80 0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.62 3iax h ALA 364 CO 0.01 0.03 -0.04 1.79 0.00 0.00 0.00 179.25 181.04 3iax h THR 365 N -1.00 0.58 0.00 0.00 1.35 -1.92 -3.48 112.91 108.43 3iax h THR 365 Ca -0.01 -1.26 0.00 0.00 -0.55 0.00 0.00 66.41 64.59 3iax h THR 365 Cb 0.34 1.05 0.00 0.00 -1.73 0.00 0.00 68.15 67.80 3iax h THR 365 CO -0.00 0.18 0.00 0.61 -0.25 0.00 0.00 175.52 176.06 3iax n GLY 366 N 1.29 0.91 3.78 5.82 0.00 -0.14 -5.05 105.19 111.80 3iax n GLY 366 Ca -0.05 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.61 3iax n GLY 366 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 3iax s GLY 367 N -0.69 2.70 0.01 -0.02 0.00 -1.26 -4.74 107.32 103.33 3iax s GLY 367 Ca 0.00 0.80 0.08 0.00 0.00 0.00 0.00 44.72 45.61 3iax s GLY 367 CO 0.00 1.22 -0.25 0.14 0.00 0.00 0.00 173.10 174.21 3iax s VAL 368 N -1.68 2.20 -0.06 1.40 1.01 -1.26 -1.70 120.40 120.31 3iax s VAL 368 Ca 0.64 -1.20 0.01 0.00 0.00 0.00 0.00 61.98 61.44 3iax s VAL 368 Cb -0.24 -1.81 0.02 0.00 0.00 0.00 0.00 36.38 34.34 3iax s VAL 368 CO 0.29 0.48 -0.08 -1.58 0.00 0.00 0.00 175.10 174.21 3iax s GLN 369 N -0.91 1.31 0.01 2.72 0.74 -0.96 -4.98 119.66 117.59 3iax s GLN 369 Ca 0.11 -0.26 -0.30 0.00 0.05 0.00 0.00 55.36 54.95 3iax s GLN 369 Cb -0.10 -1.18 -0.04 0.00 1.10 0.00 0.00 33.01 32.80 3iax s GLN 369 CO 0.01 -0.04 1.02 0.08 -0.55 0.00 0.00 175.29 175.81 3iax s VAL 370 N 0.86 4.70 -0.17 1.34 1.01 -1.26 -1.94 120.40 124.94 3iax s VAL 370 Ca -0.11 1.94 0.02 0.00 0.00 0.00 0.00 61.98 63.82 3iax s VAL 370 Cb -0.15 -4.24 -0.12 0.00 0.00 0.00 0.00 36.38 31.87 3iax s VAL 370 CO 0.01 0.15 -0.14 0.18 0.00 0.00 0.00 175.10 175.30 3iax n LEU 371 N 3.90 2.83 -4.85 3.92 4.77 0.28 -4.97 117.00 122.88 3iax n LEU 371 Ca 0.07 -0.09 -0.21 0.00 -0.03 0.00 0.00 56.01 55.74 3iax n LEU 371 Cb 0.50 -0.56 -0.04 0.00 -2.33 0.00 0.00 43.42 41.00 3iax n LEU 371 CO 0.53 0.77 -0.12 -0.94 -1.33 0.00 0.00 177.39 176.30 3iax s SER 372 N -5.62 5.53 -0.01 -1.43 1.04 -1.11 -4.85 113.70 107.25 3iax s SER 372 Ca -0.22 -0.31 0.01 0.00 0.48 0.00 0.00 55.95 55.91 3iax s SER 372 Cb 0.06 -1.28 0.01 0.00 0.10 0.00 0.00 66.02 64.91 3iax s SER 372 CO 0.41 -0.16 0.79 -1.54 0.98 0.00 0.00 173.24 173.71 3iax n SER 373 N -1.28 0.19 -2.45 7.02 3.41 -1.26 -4.61 113.62 114.64 3iax n SER 373 Ca -0.06 -1.61 -0.06 0.00 -0.26 0.00 0.00 58.87 56.89 3iax n SER 373 Cb 0.58 -0.11 0.04 0.00 -0.26 0.00 0.00 64.21 64.46 3iax n SER 373 CO 0.00 0.00 0.00 0.35 -0.16 0.00 0.00 175.04 175.23 3iax n THR 374 N -0.09 0.00 -4.34 6.66 -2.24 -1.26 -5.08 114.28 107.94 3iax n THR 374 Ca 0.01 -0.25 -0.34 0.00 -2.27 0.00 0.00 64.05 61.19 3iax n THR 374 Cb 0.59 -1.67 -0.09 0.00 -2.10 0.00 0.00 70.33 67.06 3iax n THR 374 CO 0.00 0.00 0.00 -0.36 -0.57 0.00 0.00 175.07 174.14 3iax s PHE 375 N -1.19 3.16 -1.24 4.78 0.40 -1.26 -4.63 117.98 117.99 3iax s PHE 375 Ca 0.15 0.18 -0.15 0.00 -0.60 0.00 0.00 56.93 56.51 3iax s PHE 375 Cb -0.01 -1.76 -0.00 0.00 0.51 0.00 0.00 43.02 41.76 3iax s PHE 375 CO 0.10 0.48 0.65 1.28 0.70 0.00 0.00 175.22 178.42 3iax n LEU 376 N 1.94 -2.35 -4.64 -0.37 4.77 -1.26 -0.35 117.00 114.72 3iax n LEU 376 Ca -0.17 -1.04 -0.43 0.00 -0.03 0.00 0.00 56.01 54.34 3iax n LEU 376 Cb 0.53 -2.25 -0.02 0.00 -2.33 0.00 0.00 43.42 39.35 3iax n LEU 376 CO 0.30 0.49 1.31 -1.81 -1.33 0.00 0.00 177.39 176.35 3iax s ASP 377 N -3.81 6.59 0.24 -1.43 1.01 -1.26 -3.75 116.67 114.26 3iax s ASP 377 Ca 0.30 1.81 0.04 0.00 0.71 0.00 0.00 52.55 55.41 3iax s ASP 377 Cb -0.12 -2.53 -0.05 0.00 1.01 0.00 0.00 42.92 41.23 3iax s ASP 377 CO 0.88 -1.05 0.00 -1.61 0.21 0.00 0.00 175.17 173.60 3iax s GLU 378 N 4.23 1.37 -1.05 8.23 2.02 0.08 -4.75 118.70 128.84 3iax s GLU 378 Ca 0.68 -1.70 -0.19 0.00 0.02 0.00 0.00 54.97 53.78 3iax s GLU 378 Cb -0.27 -0.64 0.02 0.00 0.10 0.00 0.00 34.13 33.34 3iax s GLU 378 CO 0.26 -0.11 0.68 0.25 0.02 0.00 0.00 175.26 176.37 3iax n THR 379 N -0.45 -4.00 -2.20 3.63 -2.24 -1.26 -1.84 114.28 105.92 3iax n THR 379 Ca -0.05 -0.47 -0.32 0.00 -2.27 0.00 0.00 64.05 60.94 3iax n THR 379 Cb 0.64 -3.19 -0.01 0.00 -2.10 0.00 0.00 70.33 65.68 3iax n THR 379 CO 0.00 0.00 0.00 -2.16 -0.57 0.00 0.00 175.07 172.34 3iax s PRO 380 N -6.11 3.60 -0.08 -0.78 0.04 -1.26 -4.40 135.00 126.00 3iax s PRO 380 Ca 0.31 1.09 -0.04 0.00 0.04 0.00 0.00 61.00 62.41 3iax s PRO 380 Cb -0.15 -2.08 0.04 0.00 0.04 0.00 0.00 34.50 32.35 3iax s PRO 380 CO 0.91 -0.57 0.19 0.45 0.04 0.00 0.00 177.00 178.02 3iax s SER 381 N -2.92 -0.04 0.31 6.66 0.15 -0.30 -4.72 113.70 112.85 3iax s SER 381 Ca 0.61 0.39 -0.17 0.00 0.70 0.00 0.00 55.95 57.48 3iax s SER 381 Cb -0.13 0.30 -0.09 0.00 -1.71 0.00 0.00 66.02 64.38 3iax s SER 381 CO 0.34 -0.17 0.77 -0.76 1.20 0.00 0.00 173.24 174.62 3iax s LEU 382 N 1.40 4.13 0.59 3.45 1.43 -1.26 -1.66 118.68 126.75 3iax s LEU 382 Ca -0.07 1.38 -0.16 0.00 -1.03 0.00 0.00 54.13 54.25 3iax s LEU 382 Cb -0.11 -4.01 -0.04 0.00 0.03 0.00 0.00 46.19 42.06 3iax s LEU 382 CO -0.07 -0.16 1.06 0.00 0.23 0.00 0.00 176.35 177.41 3iax s ALA 383 N -1.88 2.74 0.19 4.21 0.00 -0.28 -4.61 121.76 122.12 3iax s ALA 383 Ca 0.52 0.43 0.34 0.00 0.00 0.00 0.00 51.96 53.25 3iax s ALA 383 Cb -0.12 -3.24 1.72 0.00 0.00 0.00 0.00 23.12 21.48 3iax s ALA 383 CO 0.18 -0.78 2.03 -1.00 0.00 0.00 0.00 175.76 176.18 3iax h PRO 384 N 0.54 0.00 -0.39 0.00 0.13 -1.92 -1.20 132.00 129.17 3iax h PRO 384 Ca -0.47 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.66 3iax h PRO 384 Cb 1.22 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.35 3iax h PRO 384 CO 0.57 0.00 0.00 0.27 -0.23 0.00 0.00 178.00 178.61 3iax n ASN 385 N -2.76 3.46 -0.22 1.44 0.23 -1.26 -4.67 115.26 111.48 3iax n ASN 385 Ca -0.01 -1.99 -0.03 0.00 -0.53 0.00 0.00 54.58 52.01 3iax n ASN 385 Cb 0.12 -0.25 -0.01 0.00 -2.08 0.00 0.00 39.78 37.56 3iax n ASN 385 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 3iax n GLY 386 N 1.51 0.57 0.04 4.83 0.00 -0.45 -4.88 105.19 106.81 3iax n GLY 386 Ca 0.19 -0.27 0.11 0.00 0.00 0.00 0.00 46.02 46.05 3iax n GLY 386 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 3iax n THR 387 N -2.70 0.21 -3.93 2.61 -2.24 -1.26 -4.72 114.28 102.25 3iax n THR 387 Ca -0.03 -0.28 -0.09 0.00 -2.27 0.00 0.00 64.05 61.38 3iax n THR 387 Cb 0.21 0.14 -0.09 0.00 -2.10 0.00 0.00 70.33 68.48 3iax n THR 387 CO 0.00 0.00 0.00 -0.04 -0.57 0.00 0.00 175.07 174.46 3iax s MET 388 N -3.22 0.59 -0.05 -0.78 -1.94 -1.26 -1.44 119.30 111.19 3iax s MET 388 Ca 0.03 -0.76 0.04 0.00 -1.71 0.00 0.00 55.69 53.29 3iax s MET 388 Cb 0.14 0.23 0.00 0.00 2.01 0.00 0.00 34.83 37.21 3iax s MET 388 CO 0.80 -0.15 -0.17 0.08 -0.01 0.00 0.00 175.02 175.58 3iax s VAL 389 N -2.61 1.42 -0.14 -6.03 1.01 -0.48 -1.13 120.40 112.44 3iax s VAL 389 Ca -0.05 -0.69 -0.04 0.00 0.00 0.00 0.00 61.98 61.21 3iax s VAL 389 Cb -0.01 -1.23 -0.03 0.00 0.00 0.00 0.00 36.38 35.10 3iax s VAL 389 CO -0.05 0.41 -0.01 -0.51 0.00 0.00 0.00 175.10 174.94 3iax s ILE 390 N 0.23 4.15 0.15 2.22 2.07 -0.66 -1.25 121.20 128.11 3iax s ILE 390 Ca -0.08 -0.28 -0.11 0.00 -1.41 0.00 0.00 60.65 58.77 3iax s ILE 390 Cb -0.13 -2.80 0.00 0.00 0.13 0.00 0.00 42.46 39.66 3iax s ILE 390 CO 0.03 0.52 0.33 -0.72 -1.91 0.00 0.00 174.94 173.19 3iax s TYR 391 N -0.02 0.20 0.13 3.50 1.13 -0.03 -1.15 117.35 121.11 3iax s TYR 391 Ca 0.02 -0.56 -0.10 0.00 -1.41 0.00 0.00 57.07 55.03 3iax s TYR 391 Cb -0.13 0.06 -0.06 0.00 -1.10 0.00 0.00 41.96 40.73 3iax s TYR 391 CO 0.02 -0.73 0.45 0.45 -2.51 0.00 0.00 175.55 173.24 3iax s SER 392 N -2.91 6.64 0.14 -0.18 0.15 -0.77 -0.67 113.70 116.09 3iax s SER 392 Ca 0.12 0.83 -0.02 0.00 0.70 0.00 0.00 55.95 57.58 3iax s SER 392 Cb 0.03 -2.19 -0.04 0.00 -1.71 0.00 0.00 66.02 62.11 3iax s SER 392 CO -0.04 0.09 0.08 -0.94 1.20 0.00 0.00 173.24 173.63 3iax s SER 393 N -2.01 0.28 -0.21 5.45 1.04 -0.91 -0.74 113.70 116.61 3iax s SER 393 Ca 0.38 -1.18 -0.10 0.00 0.48 0.00 0.00 55.95 55.53 3iax s SER 393 Cb -0.13 0.31 -0.05 0.00 0.10 0.00 0.00 66.02 66.25 3iax s SER 393 CO 0.20 -0.75 0.13 -0.44 0.98 0.00 0.00 173.24 173.36 3iax s SER 394 N -3.04 6.15 -0.33 7.02 0.01 0.52 -2.87 113.70 121.15 3iax s SER 394 Ca 0.24 0.20 -0.01 0.00 1.31 0.00 0.00 55.95 57.69 3iax s SER 394 Cb 0.07 -2.08 0.13 0.00 0.21 0.00 0.00 66.02 64.35 3iax s SER 394 CO 0.02 0.16 0.24 -1.58 0.41 0.00 0.00 173.24 172.49 3iax s GLN 395 N 0.49 0.42 4.28 12.44 0.74 -0.92 -4.57 119.66 132.55 3iax s GLN 395 Ca 0.08 -0.78 0.00 0.00 0.05 0.00 0.00 55.36 54.71 3iax s GLN 395 Cb -0.12 -1.01 0.00 0.00 1.10 0.00 0.00 33.01 32.98 3iax s GLN 395 CO -0.01 -1.12 0.00 0.41 -0.55 0.00 0.00 175.29 174.02 3iax n GLY 396 N 4.66 0.47 1.29 2.59 0.00 -1.26 -2.51 105.19 110.45 3iax n GLY 396 Ca 0.04 -0.90 0.11 0.00 0.00 0.00 0.00 46.02 45.27 3iax n GLY 396 CO 0.00 0.00 0.00 -0.13 0.00 0.00 0.00 173.32 173.19 3iax n MET 397 N 8.86 2.70 -4.69 1.61 0.00 -1.26 -4.97 117.12 119.37 3iax n MET 397 Ca 0.00 -2.59 -0.31 0.00 -0.00 0.00 0.00 57.70 54.81 3iax n MET 397 Cb 0.00 -1.55 -0.09 0.00 0.00 0.00 0.00 33.22 31.58 3iax n MET 397 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 175.97 176.17 3iax s GLY 398 N -1.06 2.79 0.15 -5.12 0.00 -1.04 -5.07 107.32 97.97 3iax s GLY 398 Ca 0.46 -1.25 0.08 0.00 0.00 0.00 0.00 44.72 44.01 3iax s GLY 398 CO 0.32 -2.15 -0.05 -0.56 0.00 0.00 0.00 173.10 170.66 3iax s SER 399 N -3.80 4.53 0.22 1.64 0.01 -1.26 -2.16 113.70 112.89 3iax s SER 399 Ca 0.19 -0.44 -0.09 0.00 1.31 0.00 0.00 55.95 56.92 3iax s SER 399 Cb 0.05 -0.89 -0.01 0.00 0.21 0.00 0.00 66.02 65.38 3iax s SER 399 CO 0.10 0.12 0.35 0.54 0.41 0.00 0.00 173.24 174.76 3iax s VAL 400 N -1.58 0.01 -0.03 3.43 0.11 -1.14 -2.25 120.40 118.96 3iax s VAL 400 Ca 0.25 -1.56 0.02 0.00 -2.93 0.00 0.00 61.98 57.76 3iax s VAL 400 Cb -0.10 -2.22 -0.03 0.00 -1.53 0.00 0.00 36.38 32.50 3iax s VAL 400 CO 0.16 -0.05 -0.06 -0.76 -3.33 0.00 0.00 175.10 171.06 3iax s LEU 401 N -3.05 3.21 0.09 2.54 1.43 -1.26 -2.13 118.68 119.51 3iax s LEU 401 Ca 0.26 -0.08 0.05 0.00 -1.03 0.00 0.00 54.13 53.33 3iax s LEU 401 Cb 0.02 -1.79 -0.03 0.00 0.03 0.00 0.00 46.19 44.42 3iax s LEU 401 CO 0.08 0.31 -0.12 0.20 0.23 0.00 0.00 176.35 177.05 3iax s ASN 402 N -1.19 1.63 -0.06 2.29 -0.87 0.16 -0.82 114.94 116.08 3iax s ASN 402 Ca 0.15 -0.72 0.02 0.00 -1.57 0.00 0.00 52.86 50.74 3iax s ASN 402 Cb -0.11 -0.03 0.02 0.00 -0.02 0.00 0.00 41.25 41.11 3iax s ASN 402 CO 0.05 -0.16 -0.10 -0.22 -2.57 0.00 0.00 177.10 174.10 3iax s LEU 403 N -2.13 1.55 -0.04 0.60 0.20 -0.40 -0.85 118.68 117.62 3iax s LEU 403 Ca 0.03 -0.24 0.01 0.00 0.69 0.00 0.00 54.13 54.62 3iax s LEU 403 Cb -0.06 -0.70 0.02 0.00 -0.43 0.00 0.00 46.19 45.01 3iax s LEU 403 CO 0.02 0.01 -0.05 0.54 -0.29 0.00 0.00 176.35 176.57 3iax s VAL 404 N 0.72 0.54 0.45 1.68 0.11 -0.38 -1.51 120.40 122.01 3iax s VAL 404 Ca -0.14 -0.16 -0.23 0.00 -2.93 0.00 0.00 61.98 58.52 3iax s VAL 404 Cb -0.15 -0.54 -0.08 0.00 -1.53 0.00 0.00 36.38 34.08 3iax s VAL 404 CO 0.03 0.21 1.15 -0.94 -3.33 0.00 0.00 175.10 172.21 3iax s SER 405 N 0.68 6.27 0.33 3.54 1.04 -0.39 -1.39 113.70 123.79 3iax s SER 405 Ca -0.09 2.27 0.26 0.00 0.48 0.00 0.00 55.95 58.86 3iax s SER 405 Cb -0.12 -2.60 1.11 0.00 0.10 0.00 0.00 66.02 64.51 3iax s SER 405 CO 0.00 -0.84 1.77 0.74 0.98 0.00 0.00 173.24 175.89 3iax h THR 406 N 1.94 0.00 0.00 2.02 2.02 -1.51 -0.63 112.91 116.75 3iax h THR 406 Ca -0.49 -0.25 0.00 0.00 0.77 0.00 0.00 66.41 66.44 3iax h THR 406 Cb 1.24 1.01 0.00 0.00 -1.74 0.00 0.00 68.15 68.66 3iax h THR 406 CO 0.61 0.00 -0.55 -0.90 0.37 0.00 0.00 175.52 175.05 3iax n ASP 407 N -2.41 0.55 0.00 4.18 5.68 -1.26 -4.97 116.55 118.31 3iax n ASP 407 Ca 0.01 -0.10 0.00 0.00 -0.50 0.00 0.00 54.79 54.21 3iax n ASP 407 Cb 0.22 0.22 0.00 0.00 -1.14 0.00 0.00 41.12 40.42 3iax n ASP 407 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 3iax n GLY 408 N 1.44 0.91 0.18 6.12 0.00 -0.24 -4.96 105.19 108.64 3iax n GLY 408 Ca 0.05 0.00 -0.14 0.00 0.00 0.00 0.00 46.02 45.92 3iax n GLY 408 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 3iax h ARG 409 N 3.80 0.51 -5.26 1.61 3.08 -1.89 -3.46 114.38 112.78 3iax h ARG 409 Ca 0.00 -0.50 -0.65 0.00 0.07 0.00 0.00 59.98 58.91 3iax h ARG 409 Cb 0.00 0.13 -0.33 0.00 0.08 0.00 0.00 29.97 29.85 3iax h ARG 409 CO 0.00 1.13 -0.87 0.12 -1.07 0.00 0.00 179.97 179.28 3iax s PHE 410 N -3.43 2.32 0.00 3.04 5.36 -1.26 -5.01 117.98 119.00 3iax s PHE 410 Ca -0.07 -0.91 0.04 0.00 -0.96 0.00 0.00 56.93 55.04 3iax s PHE 410 Cb 0.09 -1.56 -0.01 0.00 -0.34 0.00 0.00 43.02 41.19 3iax s PHE 410 CO 0.87 -0.37 -0.13 0.15 -1.46 0.00 0.00 175.22 174.29 3iax s LYS 411 N 0.34 1.02 -0.01 10.12 1.02 -1.26 -1.26 119.74 129.71 3iax s LYS 411 Ca -0.16 -0.54 -0.29 0.00 0.02 0.00 0.00 55.97 55.00 3iax s LYS 411 Cb -0.17 -1.00 0.08 0.00 -0.52 0.00 0.00 37.83 36.22 3iax s LYS 411 CO 0.07 0.27 0.70 0.00 -0.92 0.00 0.00 175.35 175.47 3iax s ALA 412 N -0.44 -1.75 -0.02 5.17 0.00 -0.57 -5.01 121.76 119.14 3iax s ALA 412 Ca 0.04 1.14 -0.03 0.00 0.00 0.00 0.00 51.96 53.11 3iax s ALA 412 Cb -0.06 0.16 -0.04 0.00 0.00 0.00 0.00 23.12 23.18 3iax s ALA 412 CO -0.00 -0.47 0.18 0.50 0.00 0.00 0.00 175.76 175.97 3iax s ARG 413 N -1.84 3.44 0.77 0.00 3.52 -1.26 -1.27 118.95 122.30 3iax s ARG 413 Ca -0.07 -0.30 -0.11 0.00 -0.13 0.00 0.00 55.73 55.12 3iax s ARG 413 Cb -0.00 -3.10 0.07 0.00 -1.56 0.00 0.00 34.95 30.35 3iax s ARG 413 CO 0.03 0.69 1.12 -0.51 -0.81 0.00 0.00 175.30 175.82 3iax s LEU 414 N -1.85 2.64 0.54 -0.88 1.02 0.00 -4.92 118.68 115.24 3iax s LEU 414 Ca 0.26 0.75 -0.21 0.00 0.02 0.00 0.00 54.13 54.95 3iax s LEU 414 Cb -0.13 -3.32 -0.06 0.00 0.02 0.00 0.00 46.19 42.70 3iax s LEU 414 CO 0.17 -1.74 1.17 -2.65 0.02 0.00 0.00 176.35 173.32 3iax n PRO 415 N -3.17 1.38 -2.76 1.29 -0.02 -1.26 -4.85 135.00 125.61 3iax n PRO 415 Ca 0.08 0.51 -0.29 0.00 -2.02 0.00 0.00 63.50 61.77 3iax n PRO 415 Cb 0.60 -2.35 -0.02 0.00 -0.02 0.00 0.00 33.50 31.71 3iax n PRO 415 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3iax s ALA 416 N -1.36 3.36 0.23 3.55 0.00 -1.26 -4.92 121.76 121.37 3iax s ALA 416 Ca 0.71 -0.28 0.02 0.00 0.00 0.00 0.00 51.96 52.41 3iax s ALA 416 Cb -0.44 -2.68 -0.01 0.00 0.00 0.00 0.00 23.12 19.99 3iax s ALA 416 CO 0.50 -0.13 0.07 -2.37 0.00 0.00 0.00 175.76 173.83 3iax n THR 417 N -1.61 0.00 -1.62 0.00 5.66 -1.26 -5.04 114.28 110.41 3iax n THR 417 Ca 0.02 -1.30 -0.40 0.00 -3.05 0.00 0.00 64.05 59.32 3iax n THR 417 Cb 0.54 0.43 -0.02 0.00 -1.55 0.00 0.00 70.33 69.73 3iax n THR 417 CO 0.00 0.00 0.00 -0.90 -3.05 0.00 0.00 175.07 171.12 3iax n ASP 418 N -1.65 7.73 0.00 1.09 5.75 -1.26 -4.81 116.55 123.39 3iax n ASP 418 Ca -0.05 -2.80 0.00 0.00 -0.01 0.00 0.00 54.79 51.93 3iax n ASP 418 Cb 0.34 -1.51 0.00 0.00 -1.03 0.00 0.00 41.12 38.92 3iax n ASP 418 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 3iax n GLY 419 N 3.07 0.74 3.71 6.12 0.00 -1.26 -4.28 105.19 113.30 3iax n GLY 419 Ca 0.68 -1.88 -0.42 0.00 0.00 0.00 0.00 46.02 44.41 3iax n GLY 419 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 3iax s GLN 420 N -1.54 4.59 -0.24 1.61 0.74 -0.18 -4.83 119.66 119.80 3iax s GLN 420 Ca 0.00 1.45 -0.02 0.00 0.05 0.00 0.00 55.36 56.84 3iax s GLN 420 Cb 0.00 -3.43 0.02 0.00 1.10 0.00 0.00 33.01 30.70 3iax s GLN 420 CO 0.00 0.00 -0.06 0.08 -0.55 0.00 0.00 175.29 174.76 3iax s VAL 421 N 0.75 2.93 0.28 1.34 1.01 -0.95 -0.41 120.40 125.36 3iax s VAL 421 Ca 0.51 -0.93 0.06 0.00 0.00 0.00 0.00 61.98 61.63 3iax s VAL 421 Cb -0.22 -2.45 -0.06 0.00 0.00 0.00 0.00 36.38 33.65 3iax s VAL 421 CO 0.29 0.25 -0.04 -0.54 0.00 0.00 0.00 175.10 175.06 3iax s LYS 422 N 1.35 1.56 -1.02 2.72 1.02 -0.71 -3.89 119.74 120.76 3iax s LYS 422 Ca 0.01 -1.80 -0.03 0.00 0.02 0.00 0.00 55.97 54.18 3iax s LYS 422 Cb -0.16 -1.10 -0.03 0.00 -0.52 0.00 0.00 37.83 36.02 3iax s LYS 422 CO -0.05 0.00 0.87 1.19 -0.92 0.00 0.00 175.35 176.45 3iax n PHE 423 N -0.59 -2.10 -2.26 3.18 3.72 -1.26 -0.98 117.46 117.17 3iax n PHE 423 Ca -0.05 0.82 -0.41 0.00 -0.05 0.00 0.00 57.45 57.76 3iax n PHE 423 Cb 0.64 -4.41 -0.03 0.00 -0.94 0.00 0.00 39.48 34.74 3iax n PHE 423 CO 0.00 0.00 0.00 -1.25 -0.05 0.00 0.00 176.76 175.46 3iax s PRO 424 N -4.77 4.43 -0.13 -1.08 0.04 -1.26 -4.27 135.00 127.96 3iax s PRO 424 Ca 0.20 2.02 -0.00 0.00 0.04 0.00 0.00 61.00 63.26 3iax s PRO 424 Cb -0.03 -3.18 0.03 0.00 0.04 0.00 0.00 34.50 31.36 3iax s PRO 424 CO 0.67 -0.15 -0.08 0.00 0.04 0.00 0.00 177.00 177.48 3iax s ALA 425 N -0.33 1.45 0.08 8.56 0.00 0.75 -4.62 121.76 127.65 3iax s ALA 425 Ca 0.53 -0.67 -0.30 0.00 0.00 0.00 0.00 51.96 51.52 3iax s ALA 425 Cb -0.36 -0.98 -0.05 0.00 0.00 0.00 0.00 23.12 21.73 3iax s ALA 425 CO 0.41 -0.49 1.05 -0.46 0.00 0.00 0.00 175.76 176.27 3iax s TRP 426 N 1.66 3.63 0.66 0.00 -0.11 -1.26 -0.37 118.94 123.14 3iax s TRP 426 Ca 0.04 1.61 -0.11 0.00 1.22 0.00 0.00 56.10 58.85 3iax s TRP 426 Cb -0.13 -3.21 -0.02 0.00 -1.50 0.00 0.00 33.47 28.61 3iax s TRP 426 CO -0.08 -0.39 1.06 -1.54 -4.62 0.00 0.00 176.95 171.37 3iax s SER 427 N 0.56 5.88 1.04 5.86 1.04 -0.52 -4.87 113.70 122.69 3iax s SER 427 Ca 0.52 1.33 -0.14 0.00 0.48 0.00 0.00 55.95 58.14 3iax s SER 427 Cb -0.25 -2.27 0.21 0.00 0.10 0.00 0.00 66.02 63.80 3iax s SER 427 CO 0.30 -1.08 1.10 -2.16 0.98 0.00 0.00 173.24 172.38 3iax s PRO 428 N -5.24 0.09 0.50 4.02 0.04 -1.26 -4.13 135.00 129.03 3iax s PRO 428 Ca 0.56 0.35 -0.22 0.00 0.04 0.00 0.00 61.00 61.73 3iax s PRO 428 Cb -0.11 -1.71 -0.07 0.00 0.04 0.00 0.00 34.50 32.64 3iax s PRO 428 CO 0.53 -2.92 1.12 0.66 0.04 0.00 0.00 177.00 176.43 3iax n TYR 429 N -4.28 1.50 -0.15 0.56 4.01 -1.26 -4.79 117.16 112.76 3iax n TYR 429 Ca 0.07 0.48 0.00 0.00 -0.16 0.00 0.00 57.90 58.29 3iax n TYR 429 Cb 0.58 -2.26 0.00 0.00 -0.31 0.00 0.00 39.34 37.35 3iax n TYR 429 CO 0.00 0.00 0.00 1.28 -0.46 0.00 0.00 176.86 177.68