#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3dwk s PRO 72 N 0.00 4.12 0.10 -0.67 0.04 -1.26 -4.96 135.00 132.37 3dwk s PRO 72 Ca 0.00 2.60 0.02 0.00 0.04 0.00 0.00 61.00 63.66 3dwk s PRO 72 Cb 0.00 -3.06 -0.04 0.00 0.04 0.00 0.00 34.50 31.44 3dwk s PRO 72 CO 0.00 -0.72 -0.07 0.96 0.04 0.00 0.00 177.00 177.21 3dwk s ILE 73 N 0.81 0.74 0.54 0.56 -4.36 -0.86 -5.01 121.20 113.62 3dwk s ILE 73 Ca 0.71 -1.89 -0.16 0.00 -0.26 0.00 0.00 60.65 59.05 3dwk s ILE 73 Cb -0.49 -1.62 -0.07 0.00 1.25 0.00 0.00 42.46 41.53 3dwk s ILE 73 CO 0.37 -0.82 1.01 -2.16 0.24 0.00 0.00 174.94 173.58 3dwk s PRO 74 N -3.66 3.75 0.32 0.37 0.04 -1.26 -1.11 135.00 133.46 3dwk s PRO 74 Ca 0.11 1.03 -0.20 0.00 0.04 0.00 0.00 61.00 61.97 3dwk s PRO 74 Cb 0.04 -2.10 -0.09 0.00 0.04 0.00 0.00 34.50 32.38 3dwk s PRO 74 CO -0.04 -0.44 0.83 0.00 0.04 0.00 0.00 177.00 177.39 3dwk s ALA 75 N -2.58 3.25 -0.12 8.56 0.00 -1.07 -4.25 121.76 125.56 3dwk s ALA 75 Ca 0.60 0.27 0.03 0.00 0.00 0.00 0.00 51.96 52.86 3dwk s ALA 75 Cb -0.12 -2.96 -0.00 0.00 0.00 0.00 0.00 23.12 20.04 3dwk s ALA 75 CO 0.33 0.25 -0.21 0.15 0.00 0.00 0.00 175.76 176.28 3dwk s LYS 76 N -2.56 3.11 -0.12 0.00 1.02 -0.48 -1.40 119.74 119.31 3dwk s LYS 76 Ca 0.52 -0.83 -0.03 0.00 0.02 0.00 0.00 55.97 55.65 3dwk s LYS 76 Cb -0.13 -2.40 -0.03 0.00 -0.52 0.00 0.00 37.83 34.74 3dwk s LYS 76 CO 0.19 0.14 -0.01 0.42 -0.92 0.00 0.00 175.35 175.16 3dwk s ILE 77 N 0.45 4.14 -0.02 2.17 1.01 0.20 0.10 121.20 129.26 3dwk s ILE 77 Ca -0.15 -0.29 0.06 0.00 0.00 0.00 0.00 60.65 60.27 3dwk s ILE 77 Cb -0.17 -2.78 -0.01 0.00 0.01 0.00 0.00 42.46 39.51 3dwk s ILE 77 CO 0.06 0.55 -0.19 -0.31 0.00 0.00 0.00 174.94 175.05 3dwk s TYR 78 N -0.26 1.68 0.00 3.97 1.51 0.14 -1.10 117.35 123.29 3dwk s TYR 78 Ca 0.05 -0.33 0.00 0.00 -1.01 0.00 0.00 57.07 55.79 3dwk s TYR 78 Cb -0.12 -1.08 0.00 0.00 -0.11 0.00 0.00 41.96 40.64 3dwk s TYR 78 CO 0.02 -0.04 0.00 -0.40 -1.11 0.00 0.00 175.55 174.03 3dwk n ASP 79 N 2.65 0.00 -0.01 2.29 5.68 -0.77 -0.39 116.55 126.00 3dwk n ASP 79 Ca -0.15 0.00 0.15 0.00 -0.50 0.00 0.00 54.79 54.29 3dwk n ASP 79 Cb 0.54 0.00 0.77 0.00 -1.14 0.00 0.00 41.12 41.28 3dwk n ASP 79 CO 0.00 0.00 0.00 2.29 -1.33 0.00 0.00 177.20 178.16 3dwk n LYS 80 N 0.00 0.49 -0.04 0.11 2.85 0.35 -3.07 118.16 118.84 3dwk n LYS 80 Ca 0.00 -0.01 0.05 0.00 -1.05 0.00 0.00 58.31 57.30 3dwk n LYS 80 Cb 0.00 -1.50 0.06 0.00 -0.65 0.00 0.00 35.03 32.94 3dwk n LYS 80 CO 0.00 0.00 0.00 0.09 -0.05 0.00 0.00 177.40 177.44 3dwk n ASN 81 N -1.25 2.01 0.00 -5.58 3.02 -1.26 -4.97 115.26 107.23 3dwk n ASN 81 Ca 0.15 -1.54 0.00 0.00 -0.03 0.00 0.00 54.58 53.17 3dwk n ASN 81 Cb 0.23 -0.05 0.00 0.00 -0.61 0.00 0.00 39.78 39.35 3dwk n ASN 81 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 3dwk n GLY 82 N 0.47 1.59 3.77 7.41 0.00 -1.18 -5.02 105.19 112.23 3dwk n GLY 82 Ca 0.06 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.69 3dwk n GLY 82 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 3dwk s GLU 83 N -0.39 4.18 0.11 1.61 2.12 -1.26 -4.76 118.70 120.31 3dwk s GLU 83 Ca 0.00 1.91 -0.31 0.00 0.36 0.00 0.00 54.97 56.93 3dwk s GLU 83 Cb 0.00 -2.81 -0.08 0.00 0.26 0.00 0.00 34.13 31.50 3dwk s GLU 83 CO 0.00 -0.23 1.36 -1.17 -0.54 0.00 0.00 175.26 174.68 3dwk s LEU 84 N -2.23 4.37 -0.07 2.70 2.96 -1.26 -1.84 118.68 123.30 3dwk s LEU 84 Ca 0.54 2.29 -0.04 0.00 -0.22 0.00 0.00 54.13 56.70 3dwk s LEU 84 Cb -0.33 -3.59 -0.03 0.00 0.50 0.00 0.00 46.19 42.74 3dwk s LEU 84 CO 0.42 -0.63 -0.11 0.52 -1.32 0.00 0.00 176.35 175.23 3dwk n VAL 85 N 3.90 0.53 -4.07 1.68 0.31 -0.26 -4.91 118.33 115.51 3dwk n VAL 85 Ca 0.11 -0.08 -0.10 0.00 -0.01 0.00 0.00 64.34 64.26 3dwk n VAL 85 Cb 0.43 -1.63 -0.11 0.00 -0.91 0.00 0.00 33.84 31.62 3dwk n VAL 85 CO 0.00 0.00 0.00 -0.75 -1.32 0.00 0.00 176.83 174.76 3dwk s LYS 86 N -2.16 0.56 -0.04 5.55 2.47 -1.09 -5.03 119.74 120.01 3dwk s LYS 86 Ca -0.11 -0.95 -0.02 0.00 -1.56 0.00 0.00 55.97 53.33 3dwk s LYS 86 Cb 0.04 -0.08 0.03 0.00 -1.46 0.00 0.00 37.83 36.36 3dwk s LYS 86 CO 0.14 -0.02 0.06 -0.08 0.16 0.00 0.00 175.35 175.61 3dwk s THR 87 N -2.43 -0.10 0.03 3.43 -1.32 -1.26 -0.63 115.64 113.37 3dwk s THR 87 Ca -0.03 0.40 -0.21 0.00 -1.21 0.00 0.00 61.69 60.65 3dwk s THR 87 Cb -0.03 -0.14 -0.06 0.00 -1.51 0.00 0.00 72.50 70.76 3dwk s THR 87 CO -0.03 0.17 0.60 -0.76 -2.21 0.00 0.00 174.62 172.39 3dwk s LEU 88 N 2.04 4.47 -0.30 9.08 1.43 -0.49 -4.96 118.68 129.94 3dwk s LEU 88 Ca 0.03 1.23 -0.03 0.00 -1.03 0.00 0.00 54.13 54.33 3dwk s LEU 88 Cb -0.12 -2.95 0.19 0.00 0.03 0.00 0.00 46.19 43.34 3dwk s LEU 88 CO -0.03 0.16 0.68 1.51 0.23 0.00 0.00 176.35 178.91 3dwk s ASP 89 N -0.55 -1.22 -0.40 2.29 1.47 -1.26 -3.77 116.67 113.23 3dwk s ASP 89 Ca 0.31 0.79 -0.00 0.00 1.18 0.00 0.00 52.55 54.83 3dwk s ASP 89 Cb -0.19 2.03 0.32 0.00 -0.34 0.00 0.00 42.92 44.74 3dwk s ASP 89 CO 0.19 -0.23 1.93 0.61 0.68 0.00 0.00 175.17 178.35 3dwk n GLY 91 N 5.44 4.45 3.58 2.12 0.00 -1.26 -4.72 105.19 114.79 3dwk n GLY 91 Ca -0.02 -1.32 -0.49 0.00 0.00 0.00 0.00 46.02 44.19 3dwk n GLY 91 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 3dwk n GLN 92 N -0.17 1.16 -2.71 1.61 1.13 -1.26 -4.51 117.38 112.64 3dwk n GLN 92 Ca 0.40 0.41 -0.04 0.00 -1.94 0.00 0.00 57.00 55.83 3dwk n GLN 92 Cb 0.74 -1.92 0.03 0.00 0.11 0.00 0.00 30.24 29.21 3dwk n GLN 92 CO 0.00 0.00 0.00 0.54 -1.44 0.00 0.00 177.06 176.16 3dwk n ARG 93 N 1.79 0.30 -3.86 -1.09 1.74 -1.08 -5.02 116.66 109.44 3dwk n ARG 93 Ca 0.15 -1.27 -0.23 0.00 -0.77 0.00 0.00 57.85 55.73 3dwk n ARG 93 Cb 0.24 -0.56 -0.17 0.00 -1.02 0.00 0.00 32.46 30.95 3dwk n ARG 93 CO 0.00 0.00 0.00 -1.58 -1.52 0.00 0.00 177.63 174.53 3dwk s HIS 94 N 0.85 0.75 -0.16 -1.55 2.46 -1.26 -2.51 115.29 113.87 3dwk s HIS 94 Ca 0.27 -0.22 0.00 0.00 0.47 0.00 0.00 55.06 55.58 3dwk s HIS 94 Cb 0.10 -0.80 0.00 0.00 -0.13 0.00 0.00 32.58 31.75 3dwk s HIS 94 CO -0.09 -0.31 -0.16 -1.21 -2.47 0.00 0.00 174.74 170.49 3dwk s GLU 95 N 1.71 3.18 0.26 2.88 2.02 -1.26 -4.98 118.70 122.51 3dwk s GLU 95 Ca 0.01 -0.76 -0.29 0.00 0.02 0.00 0.00 54.97 53.94 3dwk s GLU 95 Cb -0.13 -2.61 -0.09 0.00 0.10 0.00 0.00 34.13 31.40 3dwk s GLU 95 CO -0.04 -0.01 1.16 -1.58 0.02 0.00 0.00 175.26 174.80 3dwk s HIS 96 N 0.88 3.46 -0.01 1.61 5.65 -1.26 -4.14 115.29 121.48 3dwk s HIS 96 Ca -0.04 1.58 0.04 0.00 0.25 0.00 0.00 55.06 56.89 3dwk s HIS 96 Cb -0.15 -3.38 -0.01 0.00 -1.18 0.00 0.00 32.58 27.85 3dwk s HIS 96 CO -0.01 -0.92 -0.14 0.54 -0.65 0.00 0.00 174.74 173.56 3dwk s VAL 97 N -0.87 1.07 0.31 0.89 0.11 -1.26 -5.04 120.40 115.62 3dwk s VAL 97 Ca 0.47 -0.60 -0.13 0.00 -2.93 0.00 0.00 61.98 58.79 3dwk s VAL 97 Cb -0.33 -0.90 -0.08 0.00 -1.53 0.00 0.00 36.38 33.53 3dwk s VAL 97 CO 0.42 0.29 0.69 0.20 -3.33 0.00 0.00 175.10 173.37 3dwk s ASN 98 N -0.36 6.72 0.48 3.54 -0.87 -1.26 -4.90 114.94 118.29 3dwk s ASN 98 Ca 0.05 1.18 0.25 0.00 -1.57 0.00 0.00 52.86 52.77 3dwk s ASN 98 Cb -0.05 -2.33 1.23 0.00 -0.02 0.00 0.00 41.25 40.07 3dwk s ASN 98 CO -0.00 -0.19 1.98 0.25 -2.57 0.00 0.00 177.10 176.57 3dwk h LEU 99 N 2.24 0.00 -0.80 0.60 5.85 -1.95 -1.46 115.31 119.80 3dwk h LEU 99 Ca -0.48 0.00 -0.08 0.00 0.84 0.00 0.00 57.88 58.16 3dwk h LEU 99 Cb 1.17 0.00 -0.01 0.00 0.37 0.00 0.00 40.66 42.19 3dwk h LEU 99 CO 0.66 0.18 -0.40 0.07 -0.34 0.00 0.00 178.44 178.61 3dwk h LYS 100 N 0.00 0.00 -0.19 1.25 2.10 -2.01 -3.11 116.57 114.61 3dwk h LYS 100 Ca -0.00 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.65 3dwk h LYS 100 Cb 0.47 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.80 3dwk h LYS 100 CO 0.02 0.40 0.00 -0.25 -2.00 0.00 0.00 179.45 177.62 3dwk n ASP 101 N -3.48 1.38 -4.56 7.07 8.00 -0.55 -4.77 116.55 119.63 3dwk n ASP 101 Ca 0.00 -1.79 -0.38 0.00 0.71 0.00 0.00 54.79 53.33 3dwk n ASP 101 Cb 0.54 -0.13 -0.11 0.00 -0.02 0.00 0.00 41.12 41.41 3dwk n ASP 101 CO 0.00 0.00 0.00 -0.69 -0.39 0.00 0.00 177.20 176.12 3dwk s VAL 102 N -1.75 5.17 0.12 2.53 1.01 -1.18 -4.86 120.40 121.44 3dwk s VAL 102 Ca 0.26 0.07 -0.34 0.00 0.00 0.00 0.00 61.98 61.97 3dwk s VAL 102 Cb 0.14 -3.49 -0.17 0.00 0.00 0.00 0.00 36.38 32.86 3dwk s VAL 102 CO 0.20 0.22 1.04 -2.65 0.00 0.00 0.00 175.10 173.92 3dwk n PRO 103 N 5.05 0.65 -0.23 2.72 -0.02 -1.26 -4.81 135.00 137.10 3dwk n PRO 103 Ca -0.14 0.23 0.04 0.00 -2.02 0.00 0.00 63.50 61.61 3dwk n PRO 103 Cb 0.52 -1.66 0.15 0.00 -0.02 0.00 0.00 33.50 32.49 3dwk n PRO 103 CO 0.00 0.00 0.00 -0.22 1.98 0.00 0.00 175.50 177.26 3dwk h LYS 104 N 2.96 0.24 0.00 -0.52 1.63 -1.96 -1.01 116.57 117.90 3dwk h LYS 104 Ca -0.43 -0.01 -0.06 0.00 -0.85 0.00 0.00 60.65 59.30 3dwk h LYS 104 Cb 1.38 -0.05 -0.01 0.00 -0.60 0.00 0.00 32.23 32.95 3dwk h LYS 104 CO 0.67 0.16 -0.27 0.66 -3.45 0.00 0.00 179.45 177.22 3dwk h SER 105 N 0.25 0.00 -0.05 4.20 4.64 -1.98 0.22 113.55 120.83 3dwk h SER 105 Ca 0.38 0.00 -0.01 0.00 -0.47 0.00 0.00 61.79 61.68 3dwk h SER 105 Cb 0.61 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 62.70 3dwk h SER 105 CO -0.48 0.27 -0.02 -0.03 -0.87 0.00 0.00 176.83 175.69 3dwk h MET 106 N 0.00 0.10 -0.82 4.77 1.85 -1.55 -1.07 114.93 118.22 3dwk h MET 106 Ca -0.00 -0.04 -0.04 0.00 -0.61 0.00 0.00 59.70 59.01 3dwk h MET 106 Cb 0.48 -0.00 -0.04 0.00 0.43 0.00 0.00 31.60 32.47 3dwk h MET 106 CO 0.03 0.48 0.37 0.87 -0.40 0.00 0.00 176.91 178.26 3dwk h LYS 107 N -0.28 1.20 -0.72 0.39 1.57 -0.95 -1.04 116.57 116.72 3dwk h LYS 107 Ca 0.01 -0.19 0.04 0.00 -1.87 0.00 0.00 60.65 58.64 3dwk h LYS 107 Cb 0.45 -0.21 -0.05 0.00 0.08 0.00 0.00 32.23 32.50 3dwk h LYS 107 CO 0.01 0.94 0.44 -0.44 -0.57 0.00 0.00 179.45 179.83 3dwk h ASP 108 N 1.17 0.70 0.91 0.86 3.32 -0.53 -1.08 116.42 121.78 3dwk h ASP 108 Ca 0.28 0.01 -0.04 0.00 0.02 0.00 0.00 57.03 57.29 3dwk h ASP 108 Cb 0.16 -0.14 0.01 0.00 0.22 0.00 0.00 39.33 39.58 3dwk h ASP 108 CO -0.03 0.47 -0.44 0.00 -1.72 0.00 0.00 179.24 177.52 3dwk h ALA 109 N 1.33 -1.23 -0.39 3.45 0.00 -0.41 -0.71 119.26 121.29 3dwk h ALA 109 Ca 0.30 -0.27 0.04 0.00 0.00 0.00 0.00 54.91 54.99 3dwk h ALA 109 Cb 0.09 0.48 -0.07 0.00 0.00 0.00 0.00 17.79 18.29 3dwk h ALA 109 CO -0.14 -1.19 -0.44 0.28 0.00 0.00 0.00 179.25 177.76 3dwk h VAL 110 N -1.23 0.00 -0.06 0.00 2.07 -1.03 -2.22 116.25 113.78 3dwk h VAL 110 Ca -0.13 0.00 0.04 0.00 0.82 0.00 0.00 66.70 67.43 3dwk h VAL 110 Cb 0.95 0.00 -0.06 0.00 -1.52 0.00 0.00 31.29 30.66 3dwk h VAL 110 CO 0.20 0.00 -0.39 -0.07 0.02 0.00 0.00 177.57 177.33 3dwk h LEU 111 N -0.26 -1.20 -1.70 2.57 3.38 -1.18 0.15 115.31 117.06 3dwk h LEU 111 Ca 0.07 0.16 0.31 0.00 0.09 0.00 0.00 57.88 58.50 3dwk h LEU 111 Cb 0.44 0.48 -0.07 0.00 0.09 0.00 0.00 40.66 41.61 3dwk h LEU 111 CO -0.51 -0.43 0.76 0.00 0.09 0.00 0.00 178.44 178.35 3dwk h ALA 112 N 0.12 2.69 0.03 1.53 0.00 -0.80 -0.84 119.26 122.00 3dwk h ALA 112 Ca 0.07 0.01 -0.33 0.00 0.00 0.00 0.00 54.91 54.66 3dwk h ALA 112 Cb 0.62 0.06 -0.04 0.00 0.00 0.00 0.00 17.79 18.43 3dwk h ALA 112 CO -0.34 -1.07 -1.92 -2.37 0.00 0.00 0.00 179.25 173.55 3dwk n THR 113 N -4.40 1.62 -0.12 0.00 5.66 -0.57 -4.66 114.28 111.80 3dwk n THR 113 Ca 0.25 -0.75 -0.20 0.00 -3.05 0.00 0.00 64.05 60.30 3dwk n THR 113 Cb 1.07 -1.18 -0.11 0.00 -1.55 0.00 0.00 70.33 68.56 3dwk n THR 113 CO 0.00 0.00 0.00 -0.62 -3.05 0.00 0.00 175.07 171.40 3dwk n GLU 114 N -3.14 0.58 -2.72 1.09 -0.58 0.41 -4.93 120.64 111.35 3dwk n GLU 114 Ca -0.25 0.17 -0.05 0.00 -0.42 0.00 0.00 57.16 56.61 3dwk n GLU 114 Cb 1.06 -1.46 0.03 0.00 -0.57 0.00 0.00 31.44 30.51 3dwk n GLU 114 CO 0.00 0.00 0.00 -3.47 -0.48 0.00 0.00 177.13 173.18 3dwk n ASP 115 N -3.47 -2.53 0.11 1.62 2.03 -0.41 -4.43 116.55 109.47 3dwk n ASP 115 Ca -0.45 -2.32 -0.08 0.00 0.52 0.00 0.00 54.79 52.46 3dwk n ASP 115 Cb 0.92 1.36 -0.04 0.00 -0.72 0.00 0.00 41.12 42.64 3dwk n ASP 115 CO 0.00 0.00 0.00 -1.13 -1.92 0.00 0.00 177.20 174.15 3dwk h ASN 116 N 4.33 -0.64 -1.78 1.67 -0.00 -1.58 -3.28 115.58 114.31 3dwk h ASN 116 Ca -0.04 0.05 -0.72 0.00 -0.00 0.00 0.00 56.30 55.59 3dwk h ASN 116 Cb 1.12 0.21 -0.15 0.00 -0.00 0.00 0.00 38.32 39.51 3dwk h ASN 116 CO 0.02 -0.29 1.63 0.54 -0.00 0.00 0.00 177.43 179.33 3dwk n ARG 117 N -3.72 3.33 -0.03 6.67 1.74 -1.26 -4.69 116.66 118.72 3dwk n ARG 117 Ca -0.05 -3.68 -0.22 0.00 -0.77 0.00 0.00 57.85 53.14 3dwk n ARG 117 Cb 0.20 -3.15 -0.13 0.00 -1.02 0.00 0.00 32.46 28.36 3dwk n ARG 117 CO 0.00 0.00 0.00 0.35 -1.52 0.00 0.00 177.63 176.46 3dwk h PHE 118 N 7.13 0.33 -0.04 -1.55 3.04 -1.97 -3.31 116.94 120.57 3dwk h PHE 118 Ca 0.36 -0.24 0.00 0.00 3.98 0.00 0.00 57.97 62.07 3dwk h PHE 118 Cb 0.85 -0.01 0.00 0.00 2.56 0.00 0.00 35.95 39.35 3dwk h PHE 118 CO 1.19 1.62 0.00 0.66 -2.02 0.00 0.00 178.31 179.76 3dwk n TYR 119 N -3.91 0.06 -0.03 0.41 0.53 -1.26 -3.11 117.16 109.84 3dwk n TYR 119 Ca -0.30 -0.03 0.04 0.00 -1.02 0.00 0.00 57.90 56.59 3dwk n TYR 119 Cb 0.89 0.00 -0.14 0.00 -1.03 0.00 0.00 39.34 39.06 3dwk n TYR 119 CO 0.00 0.00 0.00 0.39 -1.02 0.00 0.00 176.86 176.23 3dwk n GLU 120 N -0.44 0.76 -1.19 -0.72 1.02 -1.24 -5.03 120.64 113.80 3dwk n GLU 120 Ca 0.06 -0.12 -0.31 0.00 -0.02 0.00 0.00 57.16 56.77 3dwk n GLU 120 Cb 0.07 -1.44 0.10 0.00 -0.02 0.00 0.00 31.44 30.15 3dwk n GLU 120 CO 0.00 0.00 0.00 -1.01 1.18 0.00 0.00 177.13 177.30 3dwk s HIS 121 N -3.01 2.44 0.00 -0.32 3.76 -1.18 -5.06 115.29 111.93 3dwk s HIS 121 Ca -0.07 1.59 0.00 0.00 -0.15 0.00 0.00 55.06 56.43 3dwk s HIS 121 Cb 0.10 -3.09 0.00 0.00 1.11 0.00 0.00 32.58 30.69 3dwk s HIS 121 CO 0.75 -1.94 0.00 0.41 -0.85 0.00 0.00 174.74 173.11 3dwk n GLY 122 N -0.99 0.74 3.84 -2.22 0.00 -1.26 -5.07 105.19 100.22 3dwk n GLY 122 Ca 0.09 -1.62 -0.32 0.00 0.00 0.00 0.00 46.02 44.18 3dwk n GLY 122 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3dwk s ALA 123 N -3.73 3.77 -0.45 4.61 0.00 -1.26 -5.02 121.76 119.68 3dwk s ALA 123 Ca 0.00 -0.88 -0.26 0.00 0.00 0.00 0.00 51.96 50.82 3dwk s ALA 123 Cb 0.00 -1.67 -0.06 0.00 0.00 0.00 0.00 23.12 21.39 3dwk s ALA 123 CO 0.00 0.75 2.34 -1.17 0.00 0.00 0.00 175.76 177.68 3dwk s LEU 124 N -2.14 3.41 0.90 0.00 2.96 -1.26 -4.92 118.68 117.63 3dwk s LEU 124 Ca 0.29 1.17 -0.12 0.00 -0.22 0.00 0.00 54.13 55.25 3dwk s LEU 124 Cb -0.12 -2.68 0.19 0.00 0.50 0.00 0.00 46.19 44.07 3dwk s LEU 124 CO 0.21 -2.70 1.24 -0.62 -1.32 0.00 0.00 176.35 173.16 3dwk s ASP 125 N 11.28 3.39 -0.01 3.68 2.15 -1.26 -4.84 116.67 131.06 3dwk s ASP 125 Ca 0.96 0.07 -0.24 0.00 0.43 0.00 0.00 52.55 53.78 3dwk s ASP 125 Cb -0.19 -0.18 -0.19 0.00 -0.30 0.00 0.00 42.92 42.05 3dwk s ASP 125 CO 0.27 -2.53 1.24 0.22 -0.17 0.00 0.00 175.17 174.19 3dwk h TYR 126 N -1.37 0.20 -0.11 -5.34 3.20 -1.99 -2.81 116.97 108.75 3dwk h TYR 126 Ca -0.42 -0.07 -0.05 0.00 3.14 0.00 0.00 58.73 61.33 3dwk h TYR 126 Cb 1.24 -0.04 -0.01 0.00 1.54 0.00 0.00 36.73 39.46 3dwk h TYR 126 CO -0.95 0.68 -0.16 0.87 -1.64 0.00 0.00 178.16 176.96 3dwk h LYS 127 N -0.33 0.18 0.09 1.82 1.57 -1.98 -1.96 116.57 115.95 3dwk h LYS 127 Ca 0.00 -0.04 -0.26 0.00 -1.87 0.00 0.00 60.65 58.48 3dwk h LYS 127 Cb 0.66 -0.02 0.01 0.00 0.08 0.00 0.00 32.23 32.96 3dwk h LYS 127 CO 0.02 0.34 -1.14 0.00 -0.57 0.00 0.00 179.45 178.10 3dwk h ARG 128 N 0.17 0.35 -0.46 3.15 3.08 -1.94 0.50 114.38 119.22 3dwk h ARG 128 Ca 0.03 -0.49 -0.08 0.00 0.07 0.00 0.00 59.98 59.51 3dwk h ARG 128 Cb 0.39 0.17 -0.02 0.00 0.08 0.00 0.00 29.97 30.59 3dwk h ARG 128 CO 0.02 1.19 -0.03 1.25 -1.07 0.00 0.00 179.97 181.34 3dwk h LEU 129 N 0.14 0.83 0.00 3.04 5.85 -1.19 -1.66 115.31 122.33 3dwk h LEU 129 Ca -0.12 -0.32 -0.24 0.00 0.84 0.00 0.00 57.88 58.03 3dwk h LEU 129 Cb 1.83 -0.22 -0.04 0.00 0.37 0.00 0.00 40.66 42.59 3dwk h LEU 129 CO 0.19 0.95 -1.71 0.49 -0.34 0.00 0.00 178.44 178.02 3dwk n PHE 130 N -4.33 0.79 -0.09 1.25 3.01 -0.77 -1.41 117.46 115.91 3dwk n PHE 130 Ca 0.00 0.27 -0.15 0.00 1.01 0.00 0.00 57.45 58.59 3dwk n PHE 130 Cb 0.33 -1.09 -0.14 0.00 -0.01 0.00 0.00 39.48 38.57 3dwk n PHE 130 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 3dwk n GLY 131 N 1.51 -0.67 0.00 1.37 0.00 0.17 -4.01 105.19 103.55 3dwk n GLY 131 Ca -0.16 -0.23 0.00 0.00 0.00 0.00 0.00 46.02 45.63 3dwk n GLY 131 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3dwk n ALA 132 N -2.97 0.00 -0.17 4.61 0.00 -0.66 -4.30 120.51 117.01 3dwk n ALA 132 Ca -0.36 0.00 0.07 0.00 0.00 0.00 0.00 53.44 53.15 3dwk n ALA 132 Cb 1.06 0.00 0.13 0.00 0.00 0.00 0.00 19.45 20.65 3dwk n ALA 132 CO 0.00 0.00 0.00 -0.89 0.00 0.00 0.00 177.50 176.61 3dwk n ILE 133 N 0.00 -0.21 -0.22 0.00 5.41 -0.95 -0.48 119.36 122.90 3dwk n ILE 133 Ca 0.00 1.11 0.02 0.00 1.00 0.00 0.00 62.75 64.88 3dwk n ILE 133 Cb 0.00 -1.60 0.14 0.00 -0.71 0.00 0.00 39.64 37.47 3dwk n ILE 133 CO 0.00 0.00 0.00 1.23 0.00 0.00 0.00 176.55 177.78 3dwk h GLY 134 N 0.00 0.94 1.11 7.39 0.00 -1.37 -2.25 103.07 108.89 3dwk h GLY 134 Ca 0.29 -0.11 -0.12 0.00 0.00 0.00 0.00 47.33 47.39 3dwk h GLY 134 CO -0.48 -0.07 -0.16 0.50 0.00 0.00 0.00 176.54 176.34 3dwk h LYS 135 N 0.39 1.02 -2.43 4.80 1.57 -0.93 -3.38 116.57 117.61 3dwk h LYS 135 Ca 0.35 -0.41 -0.60 0.00 -1.87 0.00 0.00 60.65 58.12 3dwk h LYS 135 Cb 0.49 -0.05 -0.41 0.00 0.08 0.00 0.00 32.23 32.33 3dwk h LYS 135 CO -0.36 1.10 -0.68 -1.71 -0.57 0.00 0.00 179.45 177.22 3dwk n ASN 136 N -4.13 2.77 0.08 0.86 5.15 -0.88 -4.93 115.26 114.18 3dwk n ASN 136 Ca 0.01 -3.20 -0.03 0.00 -0.60 0.00 0.00 54.58 50.76 3dwk n ASN 136 Cb 0.43 -0.68 0.20 0.00 -0.53 0.00 0.00 39.78 39.20 3dwk n ASN 136 CO 0.00 0.00 0.00 -0.07 1.40 0.00 0.00 177.26 178.59 3dwk h LEU 137 N 4.60 0.30 -0.78 1.20 3.38 -1.67 -2.65 115.31 119.68 3dwk h LEU 137 Ca 0.17 -0.13 0.00 0.00 0.09 0.00 0.00 57.88 58.01 3dwk h LEU 137 Cb 0.73 -0.08 0.00 0.00 0.09 0.00 0.00 40.66 41.40 3dwk h LEU 137 CO 0.72 0.70 0.00 1.07 0.09 0.00 0.00 178.44 181.01 3dwk n THR 138 N -4.01 0.82 -2.69 0.22 5.66 -1.26 -4.81 114.28 108.22 3dwk n THR 138 Ca -0.02 0.25 -0.01 0.00 -3.05 0.00 0.00 64.05 61.23 3dwk n THR 138 Cb 0.50 -1.20 0.00 0.00 -1.55 0.00 0.00 70.33 68.08 3dwk n THR 138 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 175.07 172.63 3dwk n GLY 139 N -0.06 1.44 3.82 1.09 0.00 -1.00 -5.09 105.19 105.39 3dwk n GLY 139 Ca 0.02 -2.06 -0.36 0.00 0.00 0.00 0.00 46.02 43.62 3dwk n GLY 139 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 3dwk s GLY 140 N -2.28 2.60 0.00 -0.02 0.00 -1.26 -4.93 107.32 101.43 3dwk s GLY 140 Ca 0.03 0.11 0.30 0.00 0.00 0.00 0.00 44.72 45.15 3dwk s GLY 140 CO 0.02 0.46 2.12 0.69 0.00 0.00 0.00 173.10 176.39 3dwk n PHE 141 N 0.82 0.00 -1.36 1.90 0.99 -1.26 -4.78 117.46 113.77 3dwk n PHE 141 Ca -0.03 0.00 -0.14 0.00 -0.00 0.00 0.00 57.45 57.28 3dwk n PHE 141 Cb 0.51 0.00 0.10 0.00 -1.00 0.00 0.00 39.48 39.09 3dwk n PHE 141 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.76 177.17 3dwk n GLY 142 N 0.91 -1.43 0.00 1.37 0.00 -0.78 -4.84 105.19 100.41 3dwk n GLY 142 Ca 0.22 -1.67 0.00 0.00 0.00 0.00 0.00 46.02 44.58 3dwk n GLY 142 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 3dwk n SER 143 N -3.44 0.00 -4.55 1.61 3.41 -1.25 -4.69 113.62 104.71 3dwk n SER 143 Ca 0.08 0.00 -0.41 0.00 -0.26 0.00 0.00 58.87 58.28 3dwk n SER 143 Cb 0.27 0.00 -0.03 0.00 -0.26 0.00 0.00 64.21 64.19 3dwk n SER 143 CO 0.00 0.00 0.00 -1.83 -0.16 0.00 0.00 175.04 173.05 3dwk s GLU 144 N 0.00 3.08 0.00 4.33 -1.05 -1.26 -3.75 118.70 120.05 3dwk s GLU 144 Ca 0.00 0.04 0.00 0.00 -0.15 0.00 0.00 54.97 54.86 3dwk s GLU 144 Cb 0.00 -4.22 0.00 0.00 -0.44 0.00 0.00 34.13 29.47 3dwk s GLU 144 CO 0.00 -2.25 0.00 0.41 0.95 0.00 0.00 175.26 174.37 3dwk n GLY 145 N 5.43 2.54 3.72 -3.83 0.00 -1.26 -5.03 105.19 106.76 3dwk n GLY 145 Ca 0.08 -0.59 -0.35 0.00 0.00 0.00 0.00 46.02 45.17 3dwk n GLY 145 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3dwk s ALA 146 N -0.29 2.10 0.33 4.61 0.00 -1.25 -4.68 121.76 122.58 3dwk s ALA 146 Ca 0.00 0.96 0.00 0.00 0.00 0.00 0.00 51.96 52.92 3dwk s ALA 146 Cb 0.00 -3.50 0.00 0.00 0.00 0.00 0.00 23.12 19.62 3dwk s ALA 146 CO 0.00 -1.93 0.00 0.45 0.00 0.00 0.00 175.76 174.28 3dwk n SER 147 N -2.68 0.00 -3.65 0.00 2.88 -1.26 -1.87 113.62 107.05 3dwk n SER 147 Ca 0.14 0.00 -0.14 0.00 -1.33 0.00 0.00 58.87 57.54 3dwk n SER 147 Cb 0.50 0.00 -0.08 0.00 -0.75 0.00 0.00 64.21 63.88 3dwk n SER 147 CO 0.00 0.00 0.00 0.28 -1.23 0.00 0.00 175.04 174.09 3dwk s THR 148 N 2.02 0.00 0.25 2.46 -1.32 -1.26 -3.10 115.64 114.69 3dwk s THR 148 Ca 0.00 -0.02 -0.08 0.00 -1.21 0.00 0.00 61.69 60.38 3dwk s THR 148 Cb 0.00 -0.89 0.33 0.00 -1.51 0.00 0.00 72.50 70.43 3dwk s THR 148 CO 0.00 -0.01 1.61 -0.07 -2.21 0.00 0.00 174.62 173.94 3dwk h LEU 149 N 4.85 -0.59 -0.09 9.08 3.38 -1.93 0.49 115.31 130.51 3dwk h LEU 149 Ca -0.28 0.23 0.04 0.00 0.09 0.00 0.00 57.88 57.96 3dwk h LEU 149 Cb 1.16 0.45 -0.05 0.00 0.09 0.00 0.00 40.66 42.31 3dwk h LEU 149 CO 0.15 -0.25 -0.21 0.74 0.09 0.00 0.00 178.44 178.96 3dwk h THR 150 N 0.03 0.49 -0.54 0.22 2.02 -1.97 -1.74 112.91 111.43 3dwk h THR 150 Ca 0.42 0.00 0.08 0.00 0.77 0.00 0.00 66.41 67.68 3dwk h THR 150 Cb 0.71 0.49 -0.07 0.00 -1.74 0.00 0.00 68.15 67.54 3dwk h THR 150 CO -0.79 0.00 0.16 -0.61 0.37 0.00 0.00 175.52 174.66 3dwk h GLN 151 N -0.29 0.32 0.25 6.66 4.15 -1.34 -2.22 115.11 122.64 3dwk h GLN 151 Ca 0.09 -0.02 0.01 0.00 0.77 0.00 0.00 58.65 59.50 3dwk h GLN 151 Cb 0.41 -0.07 -0.03 0.00 0.21 0.00 0.00 27.48 28.00 3dwk h GLN 151 CO -0.26 0.21 -0.35 1.96 -1.93 0.00 0.00 178.83 178.46 3dwk h GLN 152 N 0.33 -0.64 -0.97 1.69 1.08 -0.79 0.27 115.11 116.07 3dwk h GLN 152 Ca 0.27 0.04 0.27 0.00 -1.45 0.00 0.00 58.65 57.78 3dwk h GLN 152 Cb 0.33 0.15 -0.14 0.00 -0.05 0.00 0.00 27.48 27.77 3dwk h GLN 152 CO -0.30 -0.43 0.51 0.28 -0.95 0.00 0.00 178.83 177.94 3dwk h VAL 153 N -0.66 0.40 0.03 -0.54 2.07 -0.96 0.17 116.25 116.76 3dwk h VAL 153 Ca 0.00 -0.14 -0.00 0.00 0.82 0.00 0.00 66.70 67.38 3dwk h VAL 153 Cb 0.64 -0.03 0.00 0.00 -1.52 0.00 0.00 31.29 30.37 3dwk h VAL 153 CO -0.13 0.07 -0.02 0.58 0.02 0.00 0.00 177.57 178.10 3dwk h VAL 154 N 0.40 1.12 -0.99 2.57 2.07 -0.81 -3.02 116.25 117.59 3dwk h VAL 154 Ca 0.66 -1.70 0.31 0.00 0.82 0.00 0.00 66.70 66.78 3dwk h VAL 154 Cb 1.38 2.06 -0.15 0.00 -1.52 0.00 0.00 31.29 33.06 3dwk h VAL 154 CO -0.56 0.36 0.54 0.50 0.02 0.00 0.00 177.57 178.43 3dwk h LYS 155 N -0.95 0.33 0.09 1.57 3.64 -0.17 -1.47 116.57 119.60 3dwk h LYS 155 Ca -0.00 -0.02 -0.00 0.00 -1.27 0.00 0.00 60.65 59.35 3dwk h LYS 155 Cb 0.62 -0.07 0.00 0.00 -0.41 0.00 0.00 32.23 32.37 3dwk h LYS 155 CO 0.01 0.22 -0.04 0.22 -2.27 0.00 0.00 179.45 177.58 3dwk h ASP 156 N 0.34 -0.10 -1.07 4.20 3.58 -1.03 -3.29 116.42 119.04 3dwk h ASP 156 Ca 0.71 -0.17 -0.65 0.00 0.42 0.00 0.00 57.03 57.34 3dwk h ASP 156 Cb 1.58 0.03 -0.33 0.00 1.72 0.00 0.00 39.33 42.32 3dwk h ASP 156 CO -0.60 0.11 0.34 0.00 -2.88 0.00 0.00 179.24 176.22 3dwk n ALA 157 N -2.24 5.93 -2.56 -0.78 0.00 -0.59 -4.93 120.51 115.34 3dwk n ALA 157 Ca -0.08 -3.69 -0.25 0.00 0.00 0.00 0.00 53.44 49.42 3dwk n ALA 157 Cb 0.15 -1.33 -0.15 0.00 0.00 0.00 0.00 19.45 18.11 3dwk n ALA 157 CO 0.00 0.00 0.00 0.12 0.00 0.00 0.00 177.50 177.62 3dwk s PHE 158 N -3.78 1.63 -0.32 0.00 2.19 -0.97 -4.99 117.98 111.73 3dwk s PHE 158 Ca 0.59 -0.33 0.03 0.00 0.33 0.00 0.00 56.93 57.54 3dwk s PHE 158 Cb 0.47 -1.06 0.16 0.00 -1.31 0.00 0.00 43.02 41.28 3dwk s PHE 158 CO -0.05 -0.05 0.42 -1.17 1.83 0.00 0.00 175.22 176.19 3dwk s LEU 159 N -0.34 -0.64 0.04 6.12 2.96 -1.26 -5.00 118.68 120.55 3dwk s LEU 159 Ca 0.05 -0.77 -0.27 0.00 -0.22 0.00 0.00 54.13 52.92 3dwk s LEU 159 Cb -0.08 1.02 0.09 0.00 0.50 0.00 0.00 46.19 47.72 3dwk s LEU 159 CO -0.00 -0.31 0.79 -0.94 -1.32 0.00 0.00 176.35 174.57 3dwk s SER 160 N 2.17 -0.44 0.11 3.68 1.04 -1.26 -4.99 113.70 114.00 3dwk s SER 160 Ca 0.12 0.06 -0.36 0.00 0.48 0.00 0.00 55.95 56.25 3dwk s SER 160 Cb -0.12 0.46 -0.16 0.00 0.10 0.00 0.00 66.02 66.29 3dwk s SER 160 CO -0.21 -0.71 1.34 0.00 0.98 0.00 0.00 173.24 174.63 3dwk n GLN 161 N -0.17 1.26 0.00 4.02 10.64 -1.26 -4.81 117.38 127.06 3dwk n GLN 161 Ca -0.12 0.45 0.00 0.00 -1.83 0.00 0.00 57.00 55.50 3dwk n GLN 161 Cb 0.62 -2.09 0.00 0.00 -0.86 0.00 0.00 30.24 27.92 3dwk n GLN 161 CO 0.00 0.00 0.00 1.58 -1.83 0.00 0.00 177.06 176.81 3dwk n HIS 162 N 2.44 0.00 -1.01 2.61 -0.00 -1.26 -4.98 115.22 113.03 3dwk n HIS 162 Ca 0.18 0.00 0.08 0.00 0.46 0.00 0.00 57.72 58.44 3dwk n HIS 162 Cb 0.21 0.00 0.12 0.00 -0.12 0.00 0.00 29.99 30.20 3dwk n HIS 162 CO 0.00 0.00 0.00 1.63 0.46 0.00 0.00 176.34 178.43 3dwk n LYS 163 N 0.04 1.38 -0.86 1.57 5.02 -1.26 -4.88 118.16 119.17 3dwk n LYS 163 Ca 0.00 -2.37 -0.29 0.00 -2.02 0.00 0.00 58.31 53.63 3dwk n LYS 163 Cb 0.00 -1.39 0.21 0.00 -0.02 0.00 0.00 35.03 33.83 3dwk n LYS 163 CO 0.00 0.00 0.00 0.45 -0.52 0.00 0.00 177.40 177.33 3dwk s SER 164 N -2.57 1.86 0.01 4.39 0.15 -1.26 -4.84 113.70 111.44 3dwk s SER 164 Ca 0.27 1.38 0.02 0.00 0.70 0.00 0.00 55.95 58.32 3dwk s SER 164 Cb 0.24 -2.10 0.09 0.00 -1.71 0.00 0.00 66.02 62.54 3dwk s SER 164 CO 0.03 -3.63 1.06 2.30 1.20 0.00 0.00 173.24 174.19 3dwk n ILE 165 N -4.53 1.89 -0.07 6.45 -5.35 -1.26 -2.66 119.36 113.83 3dwk n ILE 165 Ca 0.04 0.49 -0.13 0.00 -0.27 0.00 0.00 62.75 62.89 3dwk n ILE 165 Cb 0.56 -1.47 -0.10 0.00 -1.74 0.00 0.00 39.64 36.88 3dwk n ILE 165 CO 0.00 0.00 0.00 1.23 -1.76 0.00 0.00 176.55 176.02 3dwk h GLY 166 N 0.20 0.00 1.90 3.28 0.00 -1.98 -1.63 103.07 104.84 3dwk h GLY 166 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 3dwk h GLY 166 CO 0.00 0.00 0.00 -0.96 0.00 0.00 0.00 176.54 175.58 3dwk n ARG 167 N -4.61 0.07 0.03 4.80 -4.01 -1.19 -0.34 116.66 111.41 3dwk n ARG 167 Ca -0.12 0.10 -0.11 0.00 -1.04 0.00 0.00 57.85 56.68 3dwk n ARG 167 Cb 0.43 -1.50 -0.13 0.00 -3.04 0.00 0.00 32.46 28.21 3dwk n ARG 167 CO 0.00 0.00 0.00 0.87 -3.04 0.00 0.00 177.63 175.46 3dwk h LYS 168 N 0.00 0.08 -0.61 2.89 1.79 -1.59 -2.77 116.57 116.37 3dwk h LYS 168 Ca 0.00 -0.14 -0.08 0.00 -2.18 0.00 0.00 60.65 58.25 3dwk h LYS 168 Cb 0.35 0.05 -0.02 0.00 -1.58 0.00 0.00 32.23 31.03 3dwk h LYS 168 CO 0.00 0.85 0.08 0.00 -1.08 0.00 0.00 179.45 179.29 3dwk h ALA 169 N 0.81 1.00 -0.26 3.86 0.00 -0.18 -1.69 119.26 122.80 3dwk h ALA 169 Ca -0.20 -0.26 0.02 0.00 0.00 0.00 0.00 54.91 54.46 3dwk h ALA 169 Cb 1.95 -0.23 -0.02 0.00 0.00 0.00 0.00 17.79 19.48 3dwk h ALA 169 CO 0.12 0.63 0.13 0.37 0.00 0.00 0.00 179.25 180.50 3dwk h GLN 170 N 0.93 0.26 -0.45 0.00 5.75 -0.69 -0.58 115.11 120.33 3dwk h GLN 170 Ca 0.18 -0.02 -0.12 0.00 -0.15 0.00 0.00 58.65 58.54 3dwk h GLN 170 Cb 0.43 -0.06 -0.01 0.00 1.07 0.00 0.00 27.48 28.91 3dwk h GLN 170 CO 0.01 0.17 -0.20 0.93 -2.65 0.00 0.00 178.83 177.09 3dwk h GLU 171 N 0.27 0.93 0.12 1.69 5.08 -1.39 -1.28 114.58 120.00 3dwk h GLU 171 Ca 0.11 -0.40 0.01 0.00 -1.00 0.00 0.00 59.36 58.08 3dwk h GLU 171 Cb 0.03 -0.03 -0.03 0.00 0.50 0.00 0.00 28.75 29.23 3dwk h GLU 171 CO -0.08 1.06 -0.20 0.00 -1.00 0.00 0.00 179.01 178.79 3dwk h ALA 172 N 0.85 -0.35 -0.53 3.43 0.00 -1.11 0.20 119.26 121.73 3dwk h ALA 172 Ca 0.10 -0.04 0.11 0.00 0.00 0.00 0.00 54.91 55.08 3dwk h ALA 172 Cb 0.78 0.32 -0.09 0.00 0.00 0.00 0.00 17.79 18.79 3dwk h ALA 172 CO 0.06 -0.74 -0.04 -0.92 0.00 0.00 0.00 179.25 177.62 3dwk h TYR 173 N -0.39 -0.10 -1.00 0.00 5.03 -0.89 0.75 116.97 120.36 3dwk h TYR 173 Ca 0.02 0.04 0.04 0.00 2.58 0.00 0.00 58.73 61.41 3dwk h TYR 173 Cb 0.41 0.13 -0.06 0.00 1.55 0.00 0.00 36.73 38.76 3dwk h TYR 173 CO -0.19 -0.16 0.66 -0.07 -1.32 0.00 0.00 178.16 177.08 3dwk h LEU 174 N 0.08 1.10 -0.76 2.82 4.07 -0.72 0.39 115.31 122.28 3dwk h LEU 174 Ca 0.27 -0.01 -0.06 0.00 0.08 0.00 0.00 57.88 58.16 3dwk h LEU 174 Cb 0.42 -0.25 -0.03 0.00 1.08 0.00 0.00 40.66 41.87 3dwk h LEU 174 CO -0.48 0.75 0.26 0.28 -1.08 0.00 0.00 178.44 178.17 3dwk h SER 175 N 1.27 1.09 0.59 -0.43 0.02 0.89 -0.54 113.55 116.45 3dwk h SER 175 Ca 0.40 -0.20 -0.03 0.00 -0.84 0.00 0.00 61.79 61.12 3dwk h SER 175 Cb -0.00 -0.28 0.01 0.00 0.14 0.00 0.00 62.40 62.26 3dwk h SER 175 CO -0.12 1.00 -0.28 0.22 -1.14 0.00 0.00 176.83 176.50 3dwk h TYR 176 N 1.12 -0.73 -1.29 3.45 3.20 0.10 0.12 116.97 122.95 3dwk h TYR 176 Ca 0.25 -0.02 0.37 0.00 3.14 0.00 0.00 58.73 62.47 3dwk h TYR 176 Cb 0.28 0.24 -0.08 0.00 1.54 0.00 0.00 36.73 38.72 3dwk h TYR 176 CO 0.02 -0.41 0.89 0.00 -1.64 0.00 0.00 178.16 177.02 3dwk h ARG 177 N -0.91 0.11 0.00 1.82 2.47 -0.10 -2.02 114.38 115.75 3dwk h ARG 177 Ca -0.08 -0.01 -0.03 0.00 -1.26 0.00 0.00 59.98 58.61 3dwk h ARG 177 Cb 0.65 -0.02 -0.00 0.00 -1.65 0.00 0.00 29.97 28.94 3dwk h ARG 177 CO 0.13 0.07 -0.28 1.25 0.56 0.00 0.00 179.97 181.70 3dwk h LEU 178 N 0.11 0.00 -0.92 3.04 6.46 -0.76 -3.03 115.31 120.21 3dwk h LEU 178 Ca 0.67 -0.24 0.00 0.00 -0.12 0.00 0.00 57.88 58.20 3dwk h LEU 178 Cb 2.36 0.00 0.00 0.00 -0.73 0.00 0.00 40.66 42.29 3dwk h LEU 178 CO -0.15 0.77 0.13 -0.62 -0.62 0.00 0.00 178.44 177.95 3dwk n GLU 179 N -4.67 0.09 -0.07 1.25 1.02 0.40 -1.61 120.64 117.05 3dwk n GLU 179 Ca -0.07 0.56 -0.09 0.00 -0.02 0.00 0.00 57.16 57.54 3dwk n GLU 179 Cb 0.23 -1.93 -0.06 0.00 -0.02 0.00 0.00 31.44 29.67 3dwk n GLU 179 CO 0.00 0.00 0.00 1.96 1.18 0.00 0.00 177.13 180.27 3dwk h GLN 180 N 0.00 0.00 0.00 3.49 1.08 -1.48 -3.40 115.11 114.80 3dwk h GLN 180 Ca 0.00 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.20 3dwk h GLN 180 Cb 0.25 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 27.68 3dwk h GLN 180 CO 0.00 0.42 0.00 0.93 -0.95 0.00 0.00 178.83 179.23 3dwk h GLU 181 N -1.00 0.00 -5.02 1.46 5.08 -1.17 -3.45 114.58 110.48 3dwk h GLU 181 Ca -0.08 0.00 -0.33 0.00 -1.00 0.00 0.00 59.36 57.96 3dwk h GLU 181 Cb 0.63 0.00 -0.17 0.00 0.50 0.00 0.00 28.75 29.71 3dwk h GLU 181 CO -0.05 0.00 -0.73 0.71 -1.00 0.00 0.00 179.01 177.95 3dwk s TYR 182 N -3.50 1.15 0.55 4.33 1.51 -0.87 -5.10 117.35 115.42 3dwk s TYR 182 Ca 0.03 -0.69 0.08 0.00 -1.01 0.00 0.00 57.07 55.48 3dwk s TYR 182 Cb 0.09 -0.61 0.07 0.00 -0.11 0.00 0.00 41.96 41.39 3dwk s TYR 182 CO 0.51 0.03 0.66 -1.54 -1.11 0.00 0.00 175.55 174.10 3dwk s SER 183 N -2.69 5.01 0.19 2.29 1.04 -1.26 -4.71 113.70 113.57 3dwk s SER 183 Ca 0.09 -0.92 -0.11 0.00 0.48 0.00 0.00 55.95 55.49 3dwk s SER 183 Cb -0.01 0.24 0.11 0.00 0.10 0.00 0.00 66.02 66.46 3dwk s SER 183 CO 0.00 -1.22 1.77 0.11 0.98 0.00 0.00 173.24 174.88 3dwk h LYS 184 N 0.39 0.98 -0.16 4.02 1.79 -1.97 0.90 116.57 122.52 3dwk h LYS 184 Ca -0.33 -0.15 -0.09 0.00 -2.18 0.00 0.00 60.65 57.90 3dwk h LYS 184 Cb 1.29 -0.17 -0.00 0.00 -1.58 0.00 0.00 32.23 31.77 3dwk h LYS 184 CO 0.46 0.79 -0.24 -0.44 -1.08 0.00 0.00 179.45 178.94 3dwk h ASP 185 N 0.94 0.49 -0.48 0.86 3.32 -1.98 -0.16 116.42 119.40 3dwk h ASP 185 Ca 0.23 -0.52 0.06 0.00 0.02 0.00 0.00 57.03 56.82 3dwk h ASP 185 Cb 0.14 -0.14 -0.05 0.00 0.22 0.00 0.00 39.33 39.50 3dwk h ASP 185 CO -0.03 0.92 0.17 0.44 -1.72 0.00 0.00 179.24 179.02 3dwk h ASP 186 N 0.07 0.17 -0.16 6.45 3.45 -1.77 -0.40 116.42 124.24 3dwk h ASP 186 Ca 0.02 0.06 -0.03 0.00 0.43 0.00 0.00 57.03 57.51 3dwk h ASP 186 Cb 0.81 0.04 -0.01 0.00 -0.56 0.00 0.00 39.33 39.61 3dwk h ASP 186 CO 0.06 0.13 -0.00 0.40 -1.57 0.00 0.00 179.24 178.25 3dwk h ILE 187 N 0.35 1.26 -0.84 0.35 2.04 0.86 -1.58 117.51 119.93 3dwk h ILE 187 Ca 0.23 -0.85 0.06 0.00 1.00 0.00 0.00 64.86 65.29 3dwk h ILE 187 Cb 0.24 1.50 -0.05 0.00 -0.74 0.00 0.00 36.82 37.76 3dwk h ILE 187 CO -0.23 0.25 0.55 0.15 0.00 0.00 0.00 178.15 178.87 3dwk h PHE 188 N 0.03 0.97 0.07 1.37 3.57 -0.70 -0.98 116.94 121.28 3dwk h PHE 188 Ca 0.05 0.02 -0.00 0.00 3.53 0.00 0.00 57.97 61.57 3dwk h PHE 188 Cb 0.38 -0.32 0.00 0.00 2.79 0.00 0.00 35.95 38.81 3dwk h PHE 188 CO 0.04 0.52 -0.04 0.37 -2.23 0.00 0.00 178.31 176.97 3dwk h GLN 189 N 0.96 -0.09 -0.81 1.11 4.15 -0.94 -2.41 115.11 117.08 3dwk h GLN 189 Ca 0.36 0.01 0.17 0.00 0.77 0.00 0.00 58.65 59.95 3dwk h GLN 189 Cb 0.17 0.02 -0.06 0.00 0.21 0.00 0.00 27.48 27.83 3dwk h GLN 189 CO -0.12 0.28 0.54 0.28 -1.93 0.00 0.00 178.83 177.87 3dwk h VAL 190 N -0.48 0.76 -0.27 2.39 2.07 -0.75 0.90 116.25 120.87 3dwk h VAL 190 Ca -0.01 -0.15 -0.02 0.00 0.82 0.00 0.00 66.70 67.34 3dwk h VAL 190 Cb 0.42 0.28 -0.01 0.00 -1.52 0.00 0.00 31.29 30.46 3dwk h VAL 190 CO 0.02 0.08 0.10 0.22 0.02 0.00 0.00 177.57 178.00 3dwk h TYR 191 N 0.44 0.42 0.00 1.57 5.03 -1.04 -1.92 116.97 121.47 3dwk h TYR 191 Ca 0.41 -0.04 0.00 0.00 2.58 0.00 0.00 58.73 61.68 3dwk h TYR 191 Cb 0.94 -0.12 0.00 0.00 1.55 0.00 0.00 36.73 39.09 3dwk h TYR 191 CO -0.00 0.44 0.00 1.28 -1.32 0.00 0.00 178.16 178.56 3dwk n LEU 192 N -4.75 0.35 -0.00 2.82 4.77 0.18 -2.77 117.00 117.59 3dwk n LEU 192 Ca -0.03 0.57 0.07 0.00 -0.03 0.00 0.00 56.01 56.60 3dwk n LEU 192 Cb 0.14 -0.51 -0.10 0.00 -2.33 0.00 0.00 43.42 40.62 3dwk n LEU 192 CO 0.36 -0.34 -0.40 0.59 -1.33 0.00 0.00 177.39 176.27 3dwk n ASN 193 N -1.87 1.25 0.00 -1.43 3.02 -0.40 -1.68 115.26 114.15 3dwk n ASN 193 Ca 0.04 -0.35 0.00 0.00 -0.03 0.00 0.00 54.58 54.23 3dwk n ASN 193 Cb 0.24 1.38 0.00 0.00 -0.61 0.00 0.00 39.78 40.79 3dwk n ASN 193 CO 0.00 0.00 0.00 0.29 -2.62 0.00 0.00 177.26 174.93 3dwk n LYS 194 N -1.72 3.93 -2.60 3.52 5.02 -0.74 -3.95 118.16 121.62 3dwk n LYS 194 Ca -0.00 0.00 -0.34 0.00 -2.02 0.00 0.00 58.31 55.95 3dwk n LYS 194 Cb 0.31 -0.47 -0.04 0.00 -0.02 0.00 0.00 35.03 34.81 3dwk n LYS 194 CO 0.00 0.00 0.00 0.96 -0.52 0.00 0.00 177.40 177.84 3dwk s ILE 195 N -0.85 3.99 0.09 -0.18 -4.36 -1.11 -4.75 121.20 114.03 3dwk s ILE 195 Ca 0.00 1.22 -0.24 0.00 -0.26 0.00 0.00 60.65 61.37 3dwk s ILE 195 Cb 0.00 -3.50 -0.07 0.00 1.25 0.00 0.00 42.46 40.14 3dwk s ILE 195 CO 0.00 -0.29 0.74 -0.47 0.24 0.00 0.00 174.94 175.16 3dwk s TYR 196 N -2.08 3.81 -0.06 1.37 6.14 -1.26 -2.22 117.35 123.05 3dwk s TYR 196 Ca 0.65 1.50 0.06 0.00 0.64 0.00 0.00 57.07 59.93 3dwk s TYR 196 Cb -0.14 -2.76 0.10 0.00 0.42 0.00 0.00 41.96 39.58 3dwk s TYR 196 CO 0.19 0.41 1.05 0.66 0.64 0.00 0.00 175.55 178.50 3dwk n TYR 197 N 2.21 0.02 0.00 4.97 4.02 0.26 -4.52 117.16 124.11 3dwk n TYR 197 Ca -0.05 -0.65 0.00 0.00 -0.01 0.00 0.00 57.90 57.19 3dwk n TYR 197 Cb 0.50 -0.08 0.00 0.00 -0.02 0.00 0.00 39.34 39.74 3dwk n TYR 197 CO 0.00 0.00 0.00 0.45 -1.01 0.00 0.00 176.86 176.30 3dwk n SER 198 N -0.76 0.00 -3.73 7.72 2.88 -1.25 -4.76 113.62 113.72 3dwk n SER 198 Ca 0.05 0.00 -0.26 0.00 -1.33 0.00 0.00 58.87 57.33 3dwk n SER 198 Cb 0.37 0.00 -0.04 0.00 -0.75 0.00 0.00 64.21 63.79 3dwk n SER 198 CO 0.00 0.00 0.00 0.47 -1.23 0.00 0.00 175.04 174.28 3dwk n ASP 199 N -1.92 -1.80 -0.87 -3.46 10.43 -1.26 -0.15 116.55 117.52 3dwk n ASP 199 Ca 0.00 -0.57 -0.09 0.00 2.57 0.00 0.00 54.79 56.70 3dwk n ASP 199 Cb 0.00 -1.59 -0.02 0.00 1.84 0.00 0.00 41.12 41.36 3dwk n ASP 199 CO 0.00 0.00 0.00 0.61 -1.07 0.00 0.00 177.20 176.74 3dwk n GLY 200 N -0.89 0.38 3.60 0.44 0.00 -1.26 -4.87 105.19 102.58 3dwk n GLY 200 Ca 0.06 -0.57 -0.35 0.00 0.00 0.00 0.00 46.02 45.16 3dwk n GLY 200 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3dwk s VAL 201 N -2.39 4.81 -0.13 1.61 1.01 0.79 -2.64 120.40 123.45 3dwk s VAL 201 Ca 0.00 -0.02 0.01 0.00 0.00 0.00 0.00 61.98 61.97 3dwk s VAL 201 Cb 0.00 -3.21 0.02 0.00 0.00 0.00 0.00 36.38 33.19 3dwk s VAL 201 CO 0.00 0.40 -0.14 0.42 0.00 0.00 0.00 175.10 175.78 3dwk s THR 202 N 0.83 1.51 0.00 3.92 -4.23 -1.04 0.89 115.64 117.51 3dwk s THR 202 Ca 0.05 -0.61 0.00 0.00 -1.18 0.00 0.00 61.69 59.94 3dwk s THR 202 Cb -0.13 -1.40 0.00 0.00 1.34 0.00 0.00 72.50 72.30 3dwk s THR 202 CO 0.02 0.45 0.00 0.61 -0.54 0.00 0.00 174.62 175.16 3dwk n GLY 203 N 4.57 2.23 0.43 3.99 0.00 -0.94 -4.07 105.19 111.39 3dwk n GLY 203 Ca -0.17 -1.24 0.24 0.00 0.00 0.00 0.00 46.02 44.85 3dwk n GLY 203 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 173.32 174.51 3dwk h ILE 204 N 0.00 0.61 -0.15 -0.61 6.09 -1.64 0.30 117.51 122.11 3dwk h ILE 204 Ca 0.00 -0.07 0.02 0.00 -1.37 0.00 0.00 64.86 63.43 3dwk h ILE 204 Cb 0.00 0.38 -0.02 0.00 0.47 0.00 0.00 36.82 37.65 3dwk h ILE 204 CO 0.00 0.04 0.03 0.50 -3.07 0.00 0.00 178.15 175.65 3dwk h LYS 205 N 0.21 0.09 0.00 2.19 1.63 -1.79 -1.83 116.57 117.07 3dwk h LYS 205 Ca 0.45 -0.01 -0.18 0.00 -0.85 0.00 0.00 60.65 60.07 3dwk h LYS 205 Cb 1.43 -0.02 -0.03 0.00 -0.60 0.00 0.00 32.23 33.01 3dwk h LYS 205 CO -0.11 0.06 -0.85 0.00 -3.45 0.00 0.00 179.45 175.10 3dwk h ALA 206 N 1.11 0.54 0.00 5.00 0.00 -1.48 -3.10 119.26 121.32 3dwk h ALA 206 Ca 0.07 -0.78 -0.02 0.00 0.00 0.00 0.00 54.91 54.18 3dwk h ALA 206 Cb 0.06 -0.14 -0.00 0.00 0.00 0.00 0.00 17.79 17.71 3dwk h ALA 206 CO -0.09 1.07 -0.07 0.00 0.00 0.00 0.00 179.25 180.16 3dwk h ALA 207 N 1.15 1.06 0.04 0.00 0.00 -0.63 -0.23 119.26 120.63 3dwk h ALA 207 Ca -0.01 -0.07 -0.27 0.00 0.00 0.00 0.00 54.91 54.56 3dwk h ALA 207 Cb 1.56 -0.01 -0.03 0.00 0.00 0.00 0.00 17.79 19.31 3dwk h ALA 207 CO 0.11 0.09 -1.48 0.00 0.00 0.00 0.00 179.25 177.97 3dwk h ALA 208 N 1.93 0.31 -0.32 0.00 0.00 -1.38 -3.04 119.26 116.76 3dwk h ALA 208 Ca -0.00 -1.27 0.09 0.00 0.00 0.00 0.00 54.91 53.74 3dwk h ALA 208 Cb 0.47 0.73 -0.01 0.00 0.00 0.00 0.00 17.79 18.98 3dwk h ALA 208 CO 0.01 0.88 0.27 -0.22 0.00 0.00 0.00 179.25 180.19 3dwk h LYS 209 N -0.68 0.00 0.00 0.00 1.63 -1.45 0.16 116.57 116.23 3dwk h LYS 209 Ca -0.37 0.00 0.00 0.00 -0.85 0.00 0.00 60.65 59.43 3dwk h LYS 209 Cb 1.53 0.00 0.00 0.00 -0.60 0.00 0.00 32.23 33.16 3dwk h LYS 209 CO -0.12 0.00 -0.00 -0.92 -3.45 0.00 0.00 179.45 174.96 3dwk h TYR 210 N 0.00 0.00 0.00 1.91 5.03 -1.16 -2.24 116.97 120.51 3dwk h TYR 210 Ca 0.15 0.00 -0.07 0.00 2.58 0.00 0.00 58.73 61.39 3dwk h TYR 210 Cb 0.69 0.00 -0.01 0.00 1.55 0.00 0.00 36.73 38.96 3dwk h TYR 210 CO 0.00 0.00 -0.34 1.88 -1.32 0.00 0.00 178.16 178.38 3dwk h TYR 211 N -0.51 0.00 0.00 -3.82 -1.99 -1.50 -3.35 116.97 105.80 3dwk h TYR 211 Ca 0.00 0.00 0.00 0.00 2.00 0.00 0.00 58.73 60.73 3dwk h TYR 211 Cb 0.00 0.00 0.00 0.00 2.00 0.00 0.00 36.73 38.73 3dwk h TYR 211 CO -0.00 0.34 0.00 1.19 -0.00 0.00 0.00 178.16 179.69 3dwk n PHE 212 N -4.06 0.00 -1.61 4.88 3.01 -0.07 -1.25 117.46 118.36 3dwk n PHE 212 Ca -0.02 0.00 -0.17 0.00 1.01 0.00 0.00 57.45 58.27 3dwk n PHE 212 Cb 0.38 0.00 -0.07 0.00 -0.01 0.00 0.00 39.48 39.79 3dwk n PHE 212 CO 0.00 0.00 0.00 -1.71 1.01 0.00 0.00 176.76 176.06 3dwk n ASN 213 N -0.42 -5.07 -4.93 4.37 5.15 -0.53 -4.73 115.26 109.10 3dwk n ASN 213 Ca 0.00 0.37 -0.24 0.00 -0.60 0.00 0.00 54.58 54.11 3dwk n ASN 213 Cb 0.02 -4.10 -0.03 0.00 -0.53 0.00 0.00 39.78 35.14 3dwk n ASN 213 CO 0.00 0.00 0.00 -0.54 1.40 0.00 0.00 177.26 178.12 3dwk s LYS 214 N -3.65 3.34 0.59 1.20 1.02 -1.20 -4.86 119.74 116.18 3dwk s LYS 214 Ca 0.00 -0.74 -0.11 0.00 0.02 0.00 0.00 55.97 55.15 3dwk s LYS 214 Cb 0.00 -2.86 -0.04 0.00 -0.52 0.00 0.00 37.83 34.40 3dwk s LYS 214 CO 0.00 0.47 0.99 -0.51 -0.92 0.00 0.00 175.35 175.38 3dwk s ASP 215 N -3.58 6.26 0.25 2.83 1.01 -1.26 -3.09 116.67 119.09 3dwk s ASP 215 Ca 0.34 1.36 -0.05 0.00 0.71 0.00 0.00 52.55 54.90 3dwk s ASP 215 Cb -0.10 -2.44 0.28 0.00 1.01 0.00 0.00 42.92 41.67 3dwk s ASP 215 CO 0.28 -0.80 1.86 -0.07 0.21 0.00 0.00 175.17 176.64 3dwk h LEU 216 N -0.14 1.04 -0.02 1.23 3.38 -1.92 -3.05 115.31 115.82 3dwk h LEU 216 Ca -0.45 -0.11 0.01 0.00 0.09 0.00 0.00 57.88 57.43 3dwk h LEU 216 Cb 1.19 -0.26 -0.03 0.00 0.09 0.00 0.00 40.66 41.64 3dwk h LEU 216 CO 0.62 0.86 -0.32 0.07 0.09 0.00 0.00 178.44 179.76 3dwk h LYS 217 N 1.14 -0.37 -2.11 1.13 2.10 -1.94 -3.22 116.57 113.31 3dwk h LYS 217 Ca 0.28 0.03 -0.63 0.00 -2.00 0.00 0.00 60.65 58.33 3dwk h LYS 217 Cb 0.08 0.08 -0.20 0.00 -0.90 0.00 0.00 32.23 31.30 3dwk h LYS 217 CO -0.04 -0.25 0.91 -0.40 -2.00 0.00 0.00 179.45 177.68 3dwk n ASP 218 N -4.26 7.05 -4.29 7.07 5.68 -1.15 -4.90 116.55 121.75 3dwk n ASP 218 Ca -0.04 -3.39 -0.27 0.00 -0.50 0.00 0.00 54.79 50.59 3dwk n ASP 218 Cb 0.23 -1.21 -0.14 0.00 -1.14 0.00 0.00 41.12 38.87 3dwk n ASP 218 CO 0.00 0.00 0.00 -1.48 -1.33 0.00 0.00 177.20 174.39 3dwk s LEU 219 N -2.82 2.20 0.96 -2.12 2.34 -1.22 -4.72 118.68 113.30 3dwk s LEU 219 Ca 0.55 -0.59 -0.15 0.00 0.06 0.00 0.00 54.13 54.00 3dwk s LEU 219 Cb 0.35 -1.05 0.21 0.00 -0.56 0.00 0.00 46.19 45.14 3dwk s LEU 219 CO -0.25 0.17 1.31 0.54 -1.06 0.00 0.00 176.35 177.06 3dwk s ASN 220 N -1.40 3.04 0.03 1.48 2.20 -1.26 -4.81 114.94 114.21 3dwk s ASN 220 Ca 0.09 0.13 -0.26 0.00 -0.94 0.00 0.00 52.86 51.88 3dwk s ASN 220 Cb -0.09 -0.14 -0.17 0.00 -2.00 0.00 0.00 41.25 38.85 3dwk s ASN 220 CO 0.03 -2.77 1.37 0.25 -2.94 0.00 0.00 177.10 173.04 3dwk h LEU 221 N -1.62 -0.30 -1.33 3.54 6.46 -1.99 -0.56 115.31 119.51 3dwk h LEU 221 Ca -0.43 -0.16 0.01 0.00 -0.12 0.00 0.00 57.88 57.18 3dwk h LEU 221 Cb 1.22 0.08 -0.03 0.00 -0.73 0.00 0.00 40.66 41.20 3dwk h LEU 221 CO 0.34 -0.00 0.45 0.00 -0.62 0.00 0.00 178.44 178.61 3dwk h ALA 222 N 0.03 1.51 -0.24 1.25 0.00 -1.95 0.11 119.26 119.97 3dwk h ALA 222 Ca -0.04 -0.05 -0.07 0.00 0.00 0.00 0.00 54.91 54.75 3dwk h ALA 222 Cb 0.44 -0.28 -0.01 0.00 0.00 0.00 0.00 17.79 17.94 3dwk h ALA 222 CO 0.06 0.45 -0.17 0.93 0.00 0.00 0.00 179.25 180.53 3dwk h GLU 223 N 0.93 0.40 -0.08 0.00 5.08 -1.90 -1.73 114.58 117.29 3dwk h GLU 223 Ca 0.25 -0.12 -0.03 0.00 -1.00 0.00 0.00 59.36 58.46 3dwk h GLU 223 Cb -0.11 -0.04 -0.00 0.00 0.50 0.00 0.00 28.75 29.10 3dwk h GLU 223 CO -0.05 0.56 -0.07 0.93 -1.00 0.00 0.00 179.01 179.38 3dwk h GLU 224 N 0.37 0.18 -0.51 2.33 5.08 0.62 -2.05 114.58 120.61 3dwk h GLU 224 Ca 0.07 -0.09 0.06 0.00 -1.00 0.00 0.00 59.36 58.40 3dwk h GLU 224 Cb 0.51 0.00 -0.05 0.00 0.50 0.00 0.00 28.75 29.71 3dwk h GLU 224 CO 0.03 0.61 0.20 0.00 -1.00 0.00 0.00 179.01 178.85 3dwk h ALA 225 N 0.57 0.64 0.13 3.43 0.00 -0.74 -0.70 119.26 122.59 3dwk h ALA 225 Ca 0.01 0.05 -0.01 0.00 0.00 0.00 0.00 54.91 54.97 3dwk h ALA 225 Cb 0.57 0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.37 3dwk h ALA 225 CO 0.02 -0.18 -0.06 -0.92 0.00 0.00 0.00 179.25 178.11 3dwk h TYR 226 N 0.40 -0.16 0.00 0.00 5.03 -1.36 -1.70 116.97 119.17 3dwk h TYR 226 Ca 0.24 -0.00 0.00 0.00 2.58 0.00 0.00 58.73 61.55 3dwk h TYR 226 Cb 0.23 0.05 0.00 0.00 1.55 0.00 0.00 36.73 38.56 3dwk h TYR 226 CO -0.14 0.05 0.07 -0.07 -1.32 0.00 0.00 178.16 176.75 3dwk h LEU 227 N -0.35 0.00 0.13 2.82 3.38 -1.04 0.09 115.31 120.33 3dwk h LEU 227 Ca -0.02 0.00 -0.32 0.00 0.09 0.00 0.00 57.88 57.63 3dwk h LEU 227 Cb 0.28 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.03 3dwk h LEU 227 CO 0.03 0.00 -1.66 0.00 0.09 0.00 0.00 178.44 176.90 3dwk h ALA 228 N 1.85 0.31 0.00 1.53 0.00 -0.61 -3.37 119.26 118.97 3dwk h ALA 228 Ca 0.00 -1.18 -0.01 0.00 0.00 0.00 0.00 54.91 53.72 3dwk h ALA 228 Cb 0.14 0.40 -0.00 0.00 0.00 0.00 0.00 17.79 18.32 3dwk h ALA 228 CO 0.00 1.17 -0.76 0.78 0.00 0.00 0.00 179.25 180.44 3dwk h GLY 229 N 1.51 0.00 0.32 0.00 0.00 -0.38 -3.39 103.07 101.13 3dwk h GLY 229 Ca -0.29 0.00 0.06 0.00 0.00 0.00 0.00 47.33 47.10 3dwk h GLY 229 CO 0.15 0.00 -0.11 -2.00 0.00 0.00 0.00 176.54 174.58 3dwk h LEU 230 N 0.00 -0.38 -2.21 3.11 5.85 -1.18 -3.15 115.31 117.35 3dwk h LEU 230 Ca -0.01 0.10 0.05 0.00 0.84 0.00 0.00 57.88 58.86 3dwk h LEU 230 Cb 1.03 0.23 -0.01 0.00 0.37 0.00 0.00 40.66 42.28 3dwk h LEU 230 CO 0.00 -0.14 0.16 -0.65 -0.34 0.00 0.00 178.44 177.47 3dwk h PRO 231 N -0.04 0.00 -0.03 5.25 0.11 -1.79 -3.09 132.00 132.40 3dwk h PRO 231 Ca 0.15 0.00 0.01 0.00 0.11 0.00 0.00 66.00 66.27 3dwk h PRO 231 Cb 0.28 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 31.37 3dwk h PRO 231 CO -0.34 0.00 -0.12 0.37 -0.21 0.00 0.00 178.00 177.69 3dwk h GLN 232 N 0.00 -0.13 -2.88 1.05 4.15 -1.84 -3.32 115.11 112.14 3dwk h GLN 232 Ca 0.08 0.01 -0.61 0.00 0.77 0.00 0.00 58.65 58.89 3dwk h GLN 232 Cb 0.39 0.03 -0.41 0.00 0.21 0.00 0.00 27.48 27.71 3dwk h GLN 232 CO -0.00 -0.09 -0.71 0.14 -1.93 0.00 0.00 178.83 176.25 3dwk s VAL 233 N -3.62 2.00 0.51 2.39 -7.23 -1.21 -5.00 120.40 108.23 3dwk s VAL 233 Ca -0.04 -3.59 0.30 0.00 -1.81 0.00 0.00 61.98 56.85 3dwk s VAL 233 Cb 0.02 -2.33 0.49 0.00 0.56 0.00 0.00 36.38 35.11 3dwk s VAL 233 CO 0.14 -1.05 1.83 -0.65 -0.31 0.00 0.00 175.10 175.05 3dwk h PRO 234 N 5.66 0.10 0.02 4.82 0.11 -1.64 -1.49 132.00 139.57 3dwk h PRO 234 Ca 0.15 -0.01 -0.21 0.00 0.11 0.00 0.00 66.00 66.05 3dwk h PRO 234 Cb 0.82 -0.02 -0.02 0.00 0.11 0.00 0.00 31.00 31.89 3dwk h PRO 234 CO 0.59 0.07 -0.95 -0.91 -0.21 0.00 0.00 178.00 176.59 3dwk h ASN 235 N 0.10 0.16 0.70 -2.05 4.21 -1.95 -2.83 115.58 113.92 3dwk h ASN 235 Ca 0.52 -0.14 0.00 0.00 1.21 0.00 0.00 56.30 57.89 3dwk h ASN 235 Cb 1.89 -0.05 0.00 0.00 -1.12 0.00 0.00 38.32 39.04 3dwk h ASN 235 CO -0.08 1.02 -0.65 0.59 -1.29 0.00 0.00 177.43 177.02 3dwk n ASN 236 N -3.54 0.62 -0.00 5.81 3.02 -0.59 -4.13 115.26 116.45 3dwk n ASN 236 Ca -0.03 -0.02 0.06 0.00 -0.03 0.00 0.00 54.58 54.56 3dwk n ASN 236 Cb 0.87 0.28 -0.07 0.00 -0.61 0.00 0.00 39.78 40.24 3dwk n ASN 236 CO 0.00 0.00 0.00 -1.22 -2.62 0.00 0.00 177.26 173.42 3dwk n TYR 237 N -1.92 0.00 -1.68 3.10 0.53 -1.02 -4.49 117.16 111.67 3dwk n TYR 237 Ca 0.04 0.00 -0.49 0.00 -1.02 0.00 0.00 57.90 56.43 3dwk n TYR 237 Cb 0.41 -0.05 -0.05 0.00 -1.03 0.00 0.00 39.34 38.62 3dwk n TYR 237 CO 0.00 0.00 0.00 -1.71 -1.02 0.00 0.00 176.86 174.13 3dwk n ASN 238 N -1.40 3.43 -0.06 7.72 2.85 -1.07 -4.16 115.26 122.58 3dwk n ASN 238 Ca 0.01 0.98 -0.10 0.00 -0.11 0.00 0.00 54.58 55.36 3dwk n ASN 238 Cb 0.21 -1.37 -0.03 0.00 1.24 0.00 0.00 39.78 39.83 3dwk n ASN 238 CO 0.00 0.00 0.00 0.16 -2.11 0.00 0.00 177.26 175.31 3dwk h ILE 239 N 5.45 1.08 -0.51 -1.44 3.07 -1.93 0.81 117.51 124.05 3dwk h ILE 239 Ca -0.48 -0.20 0.15 0.00 1.55 0.00 0.00 64.86 65.88 3dwk h ILE 239 Cb 1.27 0.82 -0.02 0.00 -0.27 0.00 0.00 36.82 38.62 3dwk h ILE 239 CO 0.95 0.08 0.83 1.88 -1.05 0.00 0.00 178.15 180.84 3dwk h TYR 240 N 0.28 0.00 0.00 0.16 0.99 -1.99 -2.64 116.97 113.77 3dwk h TYR 240 Ca 0.08 0.00 -0.14 0.00 2.00 0.00 0.00 58.73 60.67 3dwk h TYR 240 Cb 0.01 0.00 -0.02 0.00 1.00 0.00 0.00 36.73 37.72 3dwk h TYR 240 CO -0.05 0.00 -1.51 -0.25 -0.00 0.00 0.00 178.16 176.35 3dwk n ASP 241 N -3.17 2.03 -3.61 3.88 10.43 -0.89 -4.90 116.55 120.33 3dwk n ASP 241 Ca 0.11 0.03 -0.28 0.00 2.57 0.00 0.00 54.79 57.22 3dwk n ASP 241 Cb 1.00 -0.20 -0.11 0.00 1.84 0.00 0.00 41.12 43.65 3dwk n ASP 241 CO 0.00 0.00 0.00 -1.00 -1.07 0.00 0.00 177.20 175.13 3dwk s HIS 242 N -2.17 2.06 0.27 1.24 3.76 0.23 -4.97 115.29 115.71 3dwk s HIS 242 Ca -0.12 -2.69 -0.04 0.00 -0.15 0.00 0.00 55.06 52.06 3dwk s HIS 242 Cb 0.04 -1.65 0.35 0.00 1.11 0.00 0.00 32.58 32.43 3dwk s HIS 242 CO 0.18 -0.72 1.93 -1.35 -0.85 0.00 0.00 174.74 173.93 3dwk h PRO 243 N 5.67 1.16 -0.50 8.40 0.11 -1.68 -0.44 132.00 144.73 3dwk h PRO 243 Ca 0.20 -0.09 -0.01 0.00 0.11 0.00 0.00 66.00 66.21 3dwk h PRO 243 Cb 0.86 -0.25 -0.02 0.00 0.11 0.00 0.00 31.00 31.69 3dwk h PRO 243 CO 0.50 0.80 0.29 0.87 -0.21 0.00 0.00 178.00 180.26 3dwk h LYS 244 N 1.18 0.68 -0.30 1.05 6.56 -1.93 -1.26 116.57 122.56 3dwk h LYS 244 Ca 0.31 -0.07 -0.06 0.00 -1.06 0.00 0.00 60.65 59.78 3dwk h LYS 244 Cb -0.08 -0.14 -0.01 0.00 -0.57 0.00 0.00 32.23 31.43 3dwk h LYS 244 CO -0.06 0.51 -0.04 0.00 -2.06 0.00 0.00 179.45 177.80 3dwk h ALA 245 N 1.13 0.41 0.00 3.86 0.00 -1.80 -2.18 119.26 120.68 3dwk h ALA 245 Ca 0.18 -0.26 -0.01 0.00 0.00 0.00 0.00 54.91 54.81 3dwk h ALA 245 Cb 0.01 -0.11 -0.00 0.00 0.00 0.00 0.00 17.79 17.69 3dwk h ALA 245 CO -0.03 0.20 -0.07 0.00 0.00 0.00 0.00 179.25 179.35 3dwk h ALA 246 N 0.81 1.64 0.11 0.00 0.00 -0.90 0.14 119.26 121.06 3dwk h ALA 246 Ca 0.08 -0.06 -0.28 0.00 0.00 0.00 0.00 54.91 54.64 3dwk h ALA 246 Cb 0.51 -0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.28 3dwk h ALA 246 CO 0.02 0.09 -1.38 1.49 0.00 0.00 0.00 179.25 179.48 3dwk h GLU 247 N 0.00 0.23 -0.45 0.00 4.57 -1.12 -2.45 114.58 115.37 3dwk h GLU 247 Ca -0.00 -0.39 -0.11 0.00 -1.18 0.00 0.00 59.36 57.67 3dwk h GLU 247 Cb 0.15 0.15 -0.01 0.00 -0.16 0.00 0.00 28.75 28.87 3dwk h GLU 247 CO 0.01 1.13 -0.17 -0.44 -1.18 0.00 0.00 179.01 178.36 3dwk h ASP 248 N 0.06 0.92 0.03 1.04 3.32 -0.65 -1.24 116.42 119.90 3dwk h ASP 248 Ca -0.18 -0.39 -0.00 0.00 0.02 0.00 0.00 57.03 56.48 3dwk h ASP 248 Cb 1.98 -0.25 0.00 0.00 0.22 0.00 0.00 39.33 41.28 3dwk h ASP 248 CO 0.17 1.10 -0.02 -0.09 -1.72 0.00 0.00 179.24 178.69 3dwk h ARG 249 N 0.74 -0.04 -0.74 3.56 9.65 -0.86 -1.11 114.38 125.58 3dwk h ARG 249 Ca 0.11 0.00 0.07 0.00 -1.10 0.00 0.00 59.98 59.06 3dwk h ARG 249 Cb 0.73 0.01 -0.05 0.00 -1.39 0.00 0.00 29.97 29.27 3dwk h ARG 249 CO 0.06 -0.00 0.48 -0.22 2.80 0.00 0.00 179.97 183.09 3dwk h LYS 250 N -0.07 0.71 -0.03 0.20 3.11 -1.36 -1.01 116.57 118.12 3dwk h LYS 250 Ca -0.00 -0.04 -0.16 0.00 -2.81 0.00 0.00 60.65 57.63 3dwk h LYS 250 Cb 0.06 -0.16 -0.01 0.00 -1.00 0.00 0.00 32.23 31.12 3dwk h LYS 250 CO 0.01 0.47 -0.71 -0.91 -2.81 0.00 0.00 179.45 175.49 3dwk h ASN 251 N 0.73 0.20 0.13 4.20 4.21 -0.98 -2.45 115.58 121.63 3dwk h ASN 251 Ca 0.32 -0.14 -0.01 0.00 1.21 0.00 0.00 56.30 57.69 3dwk h ASN 251 Cb 0.32 -0.06 0.00 0.00 -1.12 0.00 0.00 38.32 37.46 3dwk h ASN 251 CO -0.11 0.85 -0.06 0.74 -1.29 0.00 0.00 177.43 177.56 3dwk h THR 252 N 0.11 0.98 -0.38 2.81 2.02 0.04 -0.57 112.91 117.93 3dwk h THR 252 Ca -0.02 -0.44 0.08 0.00 0.77 0.00 0.00 66.41 66.80 3dwk h THR 252 Cb 1.27 1.26 -0.08 0.00 -1.74 0.00 0.00 68.15 68.86 3dwk h THR 252 CO 0.11 0.11 -0.17 0.58 0.37 0.00 0.00 175.52 176.51 3dwk h VAL 253 N -0.37 0.47 -0.62 3.16 2.07 -1.35 0.19 116.25 119.80 3dwk h VAL 253 Ca -0.02 0.00 0.11 0.00 0.82 0.00 0.00 66.70 67.61 3dwk h VAL 253 Cb 0.30 0.47 -0.08 0.00 -1.52 0.00 0.00 31.29 30.46 3dwk h VAL 253 CO 0.03 0.00 0.18 -0.07 0.02 0.00 0.00 177.57 177.73 3dwk h LEU 254 N -0.11 0.10 0.16 2.57 3.38 -1.21 0.15 115.31 120.35 3dwk h LEU 254 Ca 0.19 0.10 0.00 0.00 0.09 0.00 0.00 57.88 58.26 3dwk h LEU 254 Cb 0.39 0.12 -0.02 0.00 0.09 0.00 0.00 40.66 41.24 3dwk h LEU 254 CO -0.44 0.06 -0.16 0.22 0.09 0.00 0.00 178.44 178.20 3dwk h TYR 255 N 0.32 -0.42 -0.52 1.13 5.03 0.05 -1.28 116.97 121.28 3dwk h TYR 255 Ca 0.32 0.00 0.10 0.00 2.58 0.00 0.00 58.73 61.74 3dwk h TYR 255 Cb 0.46 0.16 -0.08 0.00 1.55 0.00 0.00 36.73 38.82 3dwk h TYR 255 CO -0.21 -0.24 0.02 -0.07 -1.32 0.00 0.00 178.16 176.33 3dwk h LEU 256 N -0.35 -0.19 -0.97 2.82 3.38 0.12 0.21 115.31 120.33 3dwk h LEU 256 Ca 0.01 0.12 0.07 0.00 0.09 0.00 0.00 57.88 58.16 3dwk h LEU 256 Cb 0.33 0.21 -0.07 0.00 0.09 0.00 0.00 40.66 41.23 3dwk h LEU 256 CO -0.05 -0.06 0.62 0.24 0.09 0.00 0.00 178.44 179.28 3dwk h MET 257 N 0.14 1.09 -0.26 1.13 2.86 -0.31 0.19 114.93 119.77 3dwk h MET 257 Ca 0.27 -0.07 -0.19 0.00 -2.06 0.00 0.00 59.70 57.65 3dwk h MET 257 Cb 0.40 -0.25 0.00 0.00 0.06 0.00 0.00 31.60 31.82 3dwk h MET 257 CO -0.43 0.72 -0.58 1.25 1.06 0.00 0.00 176.91 178.94 3dwk h HIS 258 N 1.13 1.06 -0.14 -0.22 -0.00 -0.03 0.60 115.15 117.55 3dwk h HIS 258 Ca 0.42 -0.39 -0.11 0.00 -0.00 0.00 0.00 60.37 60.29 3dwk h HIS 258 Cb 0.17 -0.20 -0.01 0.00 -0.00 0.00 0.00 27.41 27.37 3dwk h HIS 258 CO -0.01 1.22 -0.41 -0.92 -0.00 0.00 0.00 177.93 177.81 3dwk h TYR 259 N 0.63 0.36 -0.24 5.26 3.20 0.48 -0.03 116.97 126.64 3dwk h TYR 259 Ca 0.01 -0.10 0.00 0.00 3.14 0.00 0.00 58.73 61.78 3dwk h TYR 259 Cb 1.19 -0.08 0.00 0.00 1.54 0.00 0.00 36.73 39.38 3dwk h TYR 259 CO 0.07 0.67 0.00 0.72 -1.64 0.00 0.00 178.16 177.98 3dwk n HIS 260 N -4.03 0.72 -4.35 -3.82 8.25 0.57 -4.91 115.22 107.66 3dwk n HIS 260 Ca -0.01 -0.26 -0.39 0.00 -0.26 0.00 0.00 57.72 56.79 3dwk n HIS 260 Cb 0.48 -0.20 -0.06 0.00 1.12 0.00 0.00 29.99 31.33 3dwk n HIS 260 CO 0.00 0.00 0.00 0.36 0.64 0.00 0.00 176.34 177.34 3dwk n LYS 261 N 0.26 -1.42 0.02 -0.41 2.85 -0.02 -4.80 118.16 114.63 3dwk n LYS 261 Ca 0.11 0.19 0.12 0.00 -1.05 0.00 0.00 58.31 57.68 3dwk n LYS 261 Cb 0.54 -4.81 0.29 0.00 -0.65 0.00 0.00 35.03 30.40 3dwk n LYS 261 CO 0.00 0.00 0.00 0.54 -0.05 0.00 0.00 177.40 177.89 3dwk n ARG 262 N -4.05 0.08 -3.92 -1.58 1.74 0.19 -4.84 116.66 104.29 3dwk n ARG 262 Ca 0.10 0.03 -0.10 0.00 -0.77 0.00 0.00 57.85 57.11 3dwk n ARG 262 Cb 0.46 -1.55 -0.11 0.00 -1.02 0.00 0.00 32.46 30.24 3dwk n ARG 262 CO 0.00 0.00 0.00 0.96 -1.52 0.00 0.00 177.63 177.07 3dwk s ILE 263 N -3.04 0.08 1.16 0.55 -4.36 -1.17 -5.00 121.20 109.42 3dwk s ILE 263 Ca 0.10 -0.65 -0.13 0.00 -0.26 0.00 0.00 60.65 59.71 3dwk s ILE 263 Cb 0.17 -0.28 0.28 0.00 1.25 0.00 0.00 42.46 43.88 3dwk s ILE 263 CO 0.68 -0.36 1.03 0.42 0.24 0.00 0.00 174.94 176.95 3dwk s THR 264 N -1.12 1.97 0.37 8.37 -4.23 -1.26 -4.60 115.64 115.14 3dwk s THR 264 Ca -0.12 0.00 0.10 0.00 -1.18 0.00 0.00 61.69 60.48 3dwk s THR 264 Cb -0.07 -2.14 0.13 0.00 1.34 0.00 0.00 72.50 71.76 3dwk s THR 264 CO 0.00 0.00 1.87 0.44 -0.54 0.00 0.00 174.62 176.39 3dwk h ASP 265 N -2.59 0.19 0.28 3.99 5.19 -2.00 -2.99 116.42 118.49 3dwk h ASP 265 Ca -0.61 -0.05 -0.01 0.00 -0.62 0.00 0.00 57.03 55.74 3dwk h ASP 265 Cb 1.34 -0.05 0.00 0.00 0.18 0.00 0.00 39.33 40.80 3dwk h ASP 265 CO 0.51 0.41 -0.13 0.50 -3.12 0.00 0.00 179.24 177.41 3dwk h LYS 266 N 0.18 -0.36 -0.04 3.56 3.64 -2.00 -3.11 116.57 118.44 3dwk h LYS 266 Ca 0.03 0.02 0.01 0.00 -1.27 0.00 0.00 60.65 59.45 3dwk h LYS 266 Cb 0.48 0.08 -0.00 0.00 -0.41 0.00 0.00 32.23 32.38 3dwk h LYS 266 CO 0.03 -0.24 0.13 -0.56 -2.27 0.00 0.00 179.45 176.54 3dwk h GLN 267 N -1.09 0.00 0.60 1.90 3.07 -1.93 0.52 115.11 118.18 3dwk h GLN 267 Ca -0.04 0.00 -0.03 0.00 0.09 0.00 0.00 58.65 58.67 3dwk h GLN 267 Cb 0.29 0.00 0.01 0.00 0.08 0.00 0.00 27.48 27.85 3dwk h GLN 267 CO 0.06 0.00 -0.29 2.35 0.09 0.00 0.00 178.83 181.05 3dwk h TRP 268 N 0.00 -0.74 -0.77 0.06 7.01 -1.60 -1.07 115.95 118.83 3dwk h TRP 268 Ca 0.02 -0.02 0.04 0.00 2.11 0.00 0.00 58.89 61.04 3dwk h TRP 268 Cb 0.28 0.25 -0.04 0.00 -2.10 0.00 0.00 29.16 27.55 3dwk h TRP 268 CO 0.00 -0.41 0.50 1.49 -2.79 0.00 0.00 178.44 177.24 3dwk h GLU 269 N -1.01 0.88 -0.34 2.65 4.81 -0.07 -1.39 114.58 120.11 3dwk h GLU 269 Ca -0.08 -0.05 -0.02 0.00 -0.13 0.00 0.00 59.36 59.07 3dwk h GLU 269 Cb 0.67 -0.20 -0.02 0.00 0.63 0.00 0.00 28.75 29.83 3dwk h GLU 269 CO 0.13 0.59 0.13 -0.44 -0.73 0.00 0.00 179.01 178.69 3dwk h ASP 270 N 0.91 0.48 -0.12 1.04 3.32 -0.59 -3.22 116.42 118.23 3dwk h ASP 270 Ca 0.31 -0.17 -0.12 0.00 0.02 0.00 0.00 57.03 57.07 3dwk h ASP 270 Cb 0.09 -0.12 -0.01 0.00 0.22 0.00 0.00 39.33 39.51 3dwk h ASP 270 CO -0.09 0.52 -0.31 0.00 -1.72 0.00 0.00 179.24 177.63 3dwk h ALA 271 N 0.98 0.92 0.00 3.45 0.00 -0.18 -2.67 119.26 121.76 3dwk h ALA 271 Ca 0.11 -0.40 0.00 0.00 0.00 0.00 0.00 54.91 54.63 3dwk h ALA 271 Cb 0.19 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 17.86 3dwk h ALA 271 CO -0.01 0.62 0.00 0.36 0.00 0.00 0.00 179.25 180.22 3dwk n LYS 272 N -4.08 0.88 -0.00 0.00 2.85 -0.64 -1.88 118.16 115.30 3dwk n LYS 272 Ca -0.01 0.00 0.03 0.00 -1.05 0.00 0.00 58.31 57.28 3dwk n LYS 272 Cb 0.46 -1.37 -0.04 0.00 -0.65 0.00 0.00 35.03 33.43 3dwk n LYS 272 CO 0.00 0.00 0.00 1.63 -0.05 0.00 0.00 177.40 178.98 3dwk n LYS 273 N 0.15 1.16 -2.07 -1.58 4.76 -1.01 -5.03 118.16 114.54 3dwk n LYS 273 Ca 0.00 -0.04 -0.41 0.00 -2.87 0.00 0.00 58.31 54.99 3dwk n LYS 273 Cb 0.26 -1.06 -0.02 0.00 -1.84 0.00 0.00 35.03 32.37 3dwk n LYS 273 CO 0.00 0.00 0.00 0.42 -1.37 0.00 0.00 177.40 176.45 3dwk s ILE 274 N -2.21 2.68 -0.26 -0.18 1.01 -0.79 -4.98 121.20 116.48 3dwk s ILE 274 Ca -0.01 0.64 -0.29 0.00 0.00 0.00 0.00 60.65 60.99 3dwk s ILE 274 Cb 0.04 -3.41 0.01 0.00 0.01 0.00 0.00 42.46 39.11 3dwk s ILE 274 CO 0.23 0.14 1.07 -0.62 0.00 0.00 0.00 174.94 175.75 3dwk s ASP 275 N -0.17 7.02 0.11 3.58 3.68 -1.26 -4.92 116.67 124.71 3dwk s ASP 275 Ca 0.53 1.29 -0.16 0.00 2.13 0.00 0.00 52.55 56.33 3dwk s ASP 275 Cb -0.41 -2.54 -0.05 0.00 -1.45 0.00 0.00 42.92 38.48 3dwk s ASP 275 CO 0.50 -0.76 1.54 0.25 0.13 0.00 0.00 175.17 176.83 3dwk h LEU 276 N 9.72 0.60 -2.15 -1.34 5.85 -1.96 -3.02 115.31 123.01 3dwk h LEU 276 Ca -0.20 -0.32 -0.00 0.00 0.84 0.00 0.00 57.88 58.19 3dwk h LEU 276 Cb 1.06 -0.16 -0.00 0.00 0.37 0.00 0.00 40.66 41.93 3dwk h LEU 276 CO 1.00 0.78 -0.02 0.11 -0.34 0.00 0.00 178.44 179.97 3dwk h LYS 277 N 0.41 0.00 -0.30 1.25 1.57 -1.98 -3.36 116.57 114.16 3dwk h LYS 277 Ca 0.09 0.00 0.03 0.00 -1.87 0.00 0.00 60.65 58.90 3dwk h LYS 277 Cb 0.48 0.00 -0.04 0.00 0.08 0.00 0.00 32.23 32.75 3dwk h LYS 277 CO 0.02 0.02 -0.18 0.00 -0.57 0.00 0.00 179.45 178.74 3dwk n ALA 278 N -2.11 -0.19 -0.00 3.86 0.00 -1.14 -0.32 120.51 120.60 3dwk n ALA 278 Ca -0.01 0.26 0.06 0.00 0.00 0.00 0.00 53.44 53.75 3dwk n ALA 278 Cb 0.20 0.17 0.25 0.00 0.00 0.00 0.00 19.45 20.08 3dwk n ALA 278 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 3dwk n ASN 279 N -3.63 3.59 -4.57 0.00 3.02 -1.26 -4.91 115.26 107.50 3dwk n ASN 279 Ca 0.01 -2.37 -0.40 0.00 -0.03 0.00 0.00 54.58 51.78 3dwk n ASN 279 Cb 0.08 -0.51 -0.03 0.00 -0.61 0.00 0.00 39.78 38.71 3dwk n ASN 279 CO 0.00 0.00 0.00 -0.22 -2.62 0.00 0.00 177.26 174.42 3dwk s LEU 280 N -1.51 3.40 -0.01 3.41 2.96 0.56 -4.44 118.68 123.06 3dwk s LEU 280 Ca 0.36 0.82 -0.40 0.00 -0.22 0.00 0.00 54.13 54.69 3dwk s LEU 280 Cb 0.24 -3.01 -0.19 0.00 0.50 0.00 0.00 46.19 43.73 3dwk s LEU 280 CO 0.16 -2.07 1.16 0.52 -1.32 0.00 0.00 176.35 174.80 3dwk n VAL 281 N 7.34 0.00 -2.82 1.68 0.31 -0.38 -4.85 118.33 119.61 3dwk n VAL 281 Ca 0.22 -0.00 -0.42 0.00 -0.01 0.00 0.00 64.34 64.13 3dwk n VAL 281 Cb 0.50 -0.20 -0.04 0.00 -0.91 0.00 0.00 33.84 33.19 3dwk n VAL 281 CO 0.00 0.00 0.00 0.20 -1.32 0.00 0.00 176.83 175.71 3dwk s ASN 282 N 0.29 6.87 0.05 4.52 0.01 -1.26 -4.99 114.94 120.42 3dwk s ASN 282 Ca 0.91 1.05 -0.00 0.00 -0.71 0.00 0.00 52.86 54.10 3dwk s ASN 282 Cb -1.22 -2.46 -0.03 0.00 0.41 0.00 0.00 41.25 37.94 3dwk s ASN 282 CO 0.56 -0.60 -0.03 -0.13 -1.51 0.00 0.00 177.10 175.39 3dwk s ARG 283 N 3.02 0.55 0.35 -0.60 0.52 -1.26 -5.12 118.95 116.41 3dwk s ARG 283 Ca 0.37 -1.06 0.08 0.00 -0.52 0.00 0.00 55.73 54.60 3dwk s ARG 283 Cb -0.15 0.14 -0.04 0.00 0.52 0.00 0.00 34.95 35.43 3dwk s ARG 283 CO 0.09 -0.08 0.21 0.95 0.02 0.00 0.00 175.30 176.48 3dwk s THR 284 N -3.19 3.09 0.62 0.02 -4.23 -1.26 -5.00 115.64 105.70 3dwk s THR 284 Ca 0.01 -1.57 0.23 0.00 -1.18 0.00 0.00 61.69 59.18 3dwk s THR 284 Cb 0.03 -3.04 0.29 0.00 1.34 0.00 0.00 72.50 71.12 3dwk s THR 284 CO -0.07 -0.15 1.55 -0.65 -0.54 0.00 0.00 174.62 174.76 3dwk h PRO 285 N 1.41 0.00 0.21 3.99 0.11 -1.99 -2.13 132.00 133.60 3dwk h PRO 285 Ca -0.44 0.00 -0.01 0.00 0.11 0.00 0.00 66.00 65.66 3dwk h PRO 285 Cb 1.25 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.37 3dwk h PRO 285 CO 0.62 0.00 -0.10 0.93 -0.21 0.00 0.00 178.00 179.24 3dwk h GLU 286 N 0.00 -0.27 0.00 1.05 5.08 -1.94 -3.26 114.58 115.24 3dwk h GLU 286 Ca 0.21 0.02 -0.05 0.00 -1.00 0.00 0.00 59.36 58.54 3dwk h GLU 286 Cb 1.75 0.06 -0.01 0.00 0.50 0.00 0.00 28.75 31.06 3dwk h GLU 286 CO -0.00 0.12 -0.25 0.93 -1.00 0.00 0.00 179.01 178.81 3dwk h GLU 287 N -0.84 0.00 -0.24 2.33 3.07 -1.78 -2.56 114.58 114.56 3dwk h GLU 287 Ca -0.03 0.00 0.07 0.00 -0.50 0.00 0.00 59.36 58.90 3dwk h GLU 287 Cb 0.51 0.00 -0.01 0.00 -0.84 0.00 0.00 28.75 28.41 3dwk h GLU 287 CO 0.05 0.25 0.25 0.00 -1.40 0.00 0.00 179.01 178.15 3dwk h ARG 288 N 0.00 0.00 -6.10 2.33 3.08 -1.56 -3.38 114.38 108.75 3dwk h ARG 288 Ca -0.00 0.00 -0.54 0.00 0.07 0.00 0.00 59.98 59.50 3dwk h ARG 288 Cb 0.47 0.00 -0.02 0.00 0.08 0.00 0.00 29.97 30.49 3dwk h ARG 288 CO 0.03 0.00 -0.42 -1.14 -1.07 0.00 0.00 179.97 177.37 3dwk s GLN 289 N -4.67 3.47 0.43 0.04 2.00 -0.96 -4.89 119.66 115.08 3dwk s GLN 289 Ca -0.05 -0.50 0.20 0.00 -2.00 0.00 0.00 55.36 53.02 3dwk s GLN 289 Cb 0.16 -2.92 1.15 0.00 0.80 0.00 0.00 33.01 32.19 3dwk s GLN 289 CO 0.56 0.48 1.83 -0.91 -0.50 0.00 0.00 175.29 176.76 3dwk h ASN 290 N 2.14 0.36 -6.66 6.67 2.35 -1.82 -3.45 115.58 115.17 3dwk h ASN 290 Ca -0.48 0.05 -0.53 0.00 -0.55 0.00 0.00 56.30 54.78 3dwk h ASN 290 Cb 1.19 -0.02 -0.15 0.00 0.05 0.00 0.00 38.32 39.39 3dwk h ASN 290 CO 0.69 0.12 -0.85 -0.38 -1.65 0.00 0.00 177.43 175.36 3dwk n ILE 291 N -4.50 -1.65 0.00 2.81 5.41 -1.26 -4.92 119.36 115.24 3dwk n ILE 291 Ca 0.21 -0.15 0.00 0.00 1.00 0.00 0.00 62.75 63.81 3dwk n ILE 291 Cb 0.80 -2.02 0.00 0.00 -0.71 0.00 0.00 39.64 37.71 3dwk n ILE 291 CO 0.00 0.00 0.00 -0.90 0.00 0.00 0.00 176.55 175.65 3dwk n ASP 292 N -2.76 0.00 -0.01 4.38 5.68 -1.26 -4.61 116.55 117.96 3dwk n ASP 292 Ca -0.04 0.00 -0.01 0.00 -0.50 0.00 0.00 54.79 54.23 3dwk n ASP 292 Cb 0.55 0.00 -0.02 0.00 -1.14 0.00 0.00 41.12 40.51 3dwk n ASP 292 CO 0.00 0.00 0.00 0.35 -1.33 0.00 0.00 177.20 176.22 3dwk n THR 293 N 0.00 0.21 -1.43 2.12 -2.24 -1.26 -5.01 114.28 106.66 3dwk n THR 293 Ca 0.00 -0.13 -0.15 0.00 -2.27 0.00 0.00 64.05 61.50 3dwk n THR 293 Cb 0.00 -0.92 -0.06 0.00 -2.10 0.00 0.00 70.33 67.25 3dwk n THR 293 CO 0.00 0.00 0.00 -3.20 -0.57 0.00 0.00 175.07 171.30 3dwk n ASN 294 N -2.11 -5.00 -4.95 3.42 4.05 -1.26 -4.99 115.26 104.42 3dwk n ASN 294 Ca -0.05 0.37 -0.24 0.00 0.45 0.00 0.00 54.58 55.11 3dwk n ASN 294 Cb 0.60 -3.80 0.03 0.00 1.23 0.00 0.00 39.78 37.84 3dwk n ASN 294 CO 0.00 0.00 0.00 -1.58 -3.05 0.00 0.00 177.26 172.63 3dwk s GLN 295 N -3.21 2.73 -1.09 1.20 2.00 -1.26 -4.27 119.66 115.75 3dwk s GLN 295 Ca 0.00 -0.43 -0.02 0.00 -2.00 0.00 0.00 55.36 52.91 3dwk s GLN 295 Cb 0.00 -2.41 0.00 0.00 0.80 0.00 0.00 33.01 31.40 3dwk s GLN 295 CO 0.00 -0.66 0.92 -0.25 -0.50 0.00 0.00 175.29 174.79 3dwk n ASP 296 N -2.41 -2.80 0.27 6.67 8.00 -1.26 -4.89 116.55 120.13 3dwk n ASP 296 Ca 0.05 -0.53 0.16 0.00 0.71 0.00 0.00 54.79 55.18 3dwk n ASP 296 Cb 0.59 -4.58 0.61 0.00 -0.02 0.00 0.00 41.12 37.71 3dwk n ASP 296 CO 0.00 0.00 0.00 0.77 -0.39 0.00 0.00 177.20 177.58 3dwk h SER 297 N -1.82 0.00 0.15 -2.24 4.64 -2.00 -2.90 113.55 109.37 3dwk h SER 297 Ca -0.52 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.80 3dwk h SER 297 Cb 1.31 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.40 3dwk h SER 297 CO 0.45 0.02 0.00 -1.84 -0.87 0.00 0.00 176.83 174.59 3dwk n GLU 298 N -3.12 0.07 -0.00 4.77 0.00 -1.26 -1.44 120.64 119.66 3dwk n GLU 298 Ca 0.01 0.27 0.07 0.00 0.00 0.00 0.00 57.16 57.51 3dwk n GLU 298 Cb 0.34 -1.50 -0.09 0.00 0.00 0.00 0.00 31.44 30.19 3dwk n GLU 298 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.13 177.79 3dwk n TYR 299 N -1.34 0.00 -0.28 -1.84 0.53 -1.10 -4.68 117.16 108.46 3dwk n TYR 299 Ca 0.03 0.00 0.01 0.00 -1.02 0.00 0.00 57.90 56.91 3dwk n TYR 299 Cb 0.06 -0.03 0.07 0.00 -1.03 0.00 0.00 39.34 38.41 3dwk n TYR 299 CO 0.00 0.00 0.00 -0.91 -1.02 0.00 0.00 176.86 174.93 3dwk h ASN 300 N 0.00 -0.92 -0.58 7.72 4.21 -1.42 0.24 115.58 124.83 3dwk h ASN 300 Ca 0.00 0.25 -0.06 0.00 1.21 0.00 0.00 56.30 57.70 3dwk h ASN 300 Cb 0.39 0.55 -0.02 0.00 -1.12 0.00 0.00 38.32 38.12 3dwk h ASN 300 CO 0.00 -0.28 0.12 0.28 -1.29 0.00 0.00 177.43 176.26 3dwk h SER 301 N -0.03 0.89 -0.26 5.81 0.02 -1.83 0.44 113.55 118.59 3dwk h SER 301 Ca 0.35 -0.24 -0.03 0.00 -0.84 0.00 0.00 61.79 61.03 3dwk h SER 301 Cb 0.58 -0.24 -0.01 0.00 0.14 0.00 0.00 62.40 62.88 3dwk h SER 301 CO -0.82 0.91 0.04 0.22 -1.14 0.00 0.00 176.83 176.04 3dwk h TYR 302 N 0.84 0.45 0.05 3.45 5.03 -1.21 -0.79 116.97 124.79 3dwk h TYR 302 Ca 0.18 -0.06 0.02 0.00 2.58 0.00 0.00 58.73 61.45 3dwk h TYR 302 Cb 0.38 -0.12 -0.04 0.00 1.55 0.00 0.00 36.73 38.50 3dwk h TYR 302 CO 0.03 0.54 -0.24 0.28 -1.32 0.00 0.00 178.16 177.45 3dwk h VAL 303 N 0.23 0.46 -1.01 1.81 2.07 -0.47 0.74 116.25 120.09 3dwk h VAL 303 Ca 0.08 0.00 0.23 0.00 0.82 0.00 0.00 66.70 67.83 3dwk h VAL 303 Cb 0.33 0.46 -0.11 0.00 -1.52 0.00 0.00 31.29 30.45 3dwk h VAL 303 CO 0.01 0.00 0.62 -1.13 0.02 0.00 0.00 177.57 177.09 3dwk h ASN 304 N -0.40 0.64 -0.09 0.57 -0.73 -0.70 0.96 115.58 115.83 3dwk h ASN 304 Ca 0.05 0.10 -0.07 0.00 1.87 0.00 0.00 56.30 58.25 3dwk h ASN 304 Cb 0.46 -0.00 0.00 0.00 0.27 0.00 0.00 38.32 39.05 3dwk h ASN 304 CO -0.18 0.16 -0.23 0.15 -0.37 0.00 0.00 177.43 176.96 3dwk h PHE 305 N 0.58 0.40 -0.47 0.67 3.04 -0.45 -3.10 116.94 117.62 3dwk h PHE 305 Ca 0.60 -0.16 0.01 0.00 3.98 0.00 0.00 57.97 62.40 3dwk h PHE 305 Cb 1.19 -0.07 -0.02 0.00 2.56 0.00 0.00 35.95 39.60 3dwk h PHE 305 CO -0.00 0.85 0.31 0.28 -2.02 0.00 0.00 178.31 177.72 3dwk h VAL 306 N -0.16 1.11 -0.91 1.41 2.07 0.30 -2.24 116.25 117.82 3dwk h VAL 306 Ca -0.00 -0.21 0.18 0.00 0.82 0.00 0.00 66.70 67.48 3dwk h VAL 306 Cb 0.85 0.43 -0.07 0.00 -1.52 0.00 0.00 31.29 30.97 3dwk h VAL 306 CO 0.05 0.11 0.59 0.11 0.02 0.00 0.00 177.57 178.45 3dwk h LYS 307 N 0.63 0.56 -0.05 1.57 1.57 -0.91 0.11 116.57 120.05 3dwk h LYS 307 Ca 0.18 -0.03 -0.06 0.00 -1.87 0.00 0.00 60.65 58.86 3dwk h LYS 307 Cb -0.06 -0.13 0.00 0.00 0.08 0.00 0.00 32.23 32.13 3dwk h LYS 307 CO -0.05 0.37 -0.21 1.03 -0.57 0.00 0.00 179.45 180.02 3dwk h SER 308 N 0.58 0.28 0.87 0.86 0.87 -1.34 -3.27 113.55 112.40 3dwk h SER 308 Ca 0.48 -0.64 -0.05 0.00 -1.23 0.00 0.00 61.79 60.35 3dwk h SER 308 Cb 0.94 -0.08 -0.01 0.00 -0.44 0.00 0.00 62.40 62.81 3dwk h SER 308 CO -0.22 0.87 -0.22 -0.08 -0.53 0.00 0.00 176.83 176.65 3dwk h GLU 309 N -0.30 0.00 -0.81 2.24 4.81 -0.91 -3.23 114.58 116.37 3dwk h GLU 309 Ca -0.01 0.00 -0.03 0.00 -0.13 0.00 0.00 59.36 59.19 3dwk h GLU 309 Cb 0.86 0.00 -0.04 0.00 0.63 0.00 0.00 28.75 30.20 3dwk h GLU 309 CO 0.04 0.22 0.38 1.25 -0.73 0.00 0.00 179.01 180.17 3dwk h LEU 310 N 0.00 1.07 -0.66 1.64 5.85 -0.84 -2.49 115.31 119.88 3dwk h LEU 310 Ca -0.00 -0.13 0.00 0.00 0.84 0.00 0.00 57.88 58.58 3dwk h LEU 310 Cb 0.71 -0.28 0.00 0.00 0.37 0.00 0.00 40.66 41.46 3dwk h LEU 310 CO 0.03 0.91 0.00 0.23 -0.34 0.00 0.00 178.44 179.27 3dwk n MET 311 N -4.30 1.45 0.07 1.25 2.81 -1.22 -3.67 117.12 113.50 3dwk n MET 311 Ca 0.08 -0.66 0.13 0.00 -1.81 0.00 0.00 57.70 55.44 3dwk n MET 311 Cb 0.15 -1.47 0.44 0.00 -0.71 0.00 0.00 33.22 31.63 3dwk n MET 311 CO 0.00 0.00 0.00 0.09 1.51 0.00 0.00 175.97 177.57 3dwk n ASN 312 N -0.19 0.56 -4.75 7.83 3.02 -0.94 -4.46 115.26 116.33 3dwk n ASN 312 Ca 0.20 0.48 -0.41 0.00 -0.03 0.00 0.00 54.58 54.83 3dwk n ASN 312 Cb 0.27 -0.59 -0.04 0.00 -0.61 0.00 0.00 39.78 38.81 3dwk n ASN 312 CO 0.00 0.00 0.00 0.21 -2.62 0.00 0.00 177.26 174.85 3dwk s ASN 313 N -4.01 7.20 0.59 6.41 3.84 -1.24 -4.87 114.94 122.87 3dwk s ASN 313 Ca 0.11 2.26 0.29 0.00 0.21 0.00 0.00 52.86 55.73 3dwk s ASN 313 Cb 0.15 -2.62 1.29 0.00 -0.55 0.00 0.00 41.25 39.51 3dwk s ASN 313 CO 0.59 -0.22 1.66 0.11 -2.79 0.00 0.00 177.10 176.45 3dwk h LYS 314 N 4.28 0.00 0.00 0.43 1.57 -1.94 -1.00 116.57 119.91 3dwk h LYS 314 Ca -0.46 0.00 -0.04 0.00 -1.87 0.00 0.00 60.65 58.28 3dwk h LYS 314 Cb 1.21 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 33.52 3dwk h LYS 314 CO 0.69 0.00 -0.17 0.00 -0.57 0.00 0.00 179.45 179.40 3dwk h ALA 315 N 1.09 1.52 -0.25 3.86 0.00 -1.90 -3.01 119.26 120.57 3dwk h ALA 315 Ca 0.36 -0.15 -0.18 0.00 0.00 0.00 0.00 54.91 54.93 3dwk h ALA 315 Cb 1.98 -0.03 -0.15 0.00 0.00 0.00 0.00 17.79 19.59 3dwk h ALA 315 CO -0.00 0.21 -0.61 1.19 0.00 0.00 0.00 179.25 180.03 3dwk n PHE 316 N -4.04 0.90 -0.01 0.00 3.01 -0.38 -4.62 117.46 112.32 3dwk n PHE 316 Ca -0.02 -1.72 -0.17 0.00 1.01 0.00 0.00 57.45 56.54 3dwk n PHE 316 Cb 0.25 -0.28 -0.10 0.00 -0.01 0.00 0.00 39.48 39.35 3dwk n PHE 316 CO 0.00 0.00 0.00 -0.22 1.01 0.00 0.00 176.76 177.55 3dwk h LYS 317 N 1.39 0.50 0.00 -1.08 3.64 -1.53 -3.15 116.57 116.34 3dwk h LYS 317 Ca 0.12 -0.46 0.00 0.00 -1.27 0.00 0.00 60.65 59.03 3dwk h LYS 317 Cb 1.19 0.11 0.00 0.00 -0.41 0.00 0.00 32.23 33.12 3dwk h LYS 317 CO 0.25 1.10 -0.29 -0.44 -2.27 0.00 0.00 179.45 177.80 3dwk h ASP 318 N 0.07 0.00 -4.11 4.20 3.32 -1.86 -3.46 116.42 114.57 3dwk h ASP 318 Ca -0.06 -0.08 -0.45 0.00 0.02 0.00 0.00 57.03 56.47 3dwk h ASP 318 Cb 1.26 0.00 0.14 0.00 0.22 0.00 0.00 39.33 40.95 3dwk h ASP 318 CO 0.12 0.04 0.30 -1.61 -1.72 0.00 0.00 179.24 176.37 3dwk s GLU 319 N -3.15 0.72 -0.00 3.56 0.41 -1.19 -5.10 118.70 113.94 3dwk s GLU 319 Ca 0.08 0.09 -0.01 0.00 -0.41 0.00 0.00 54.97 54.72 3dwk s GLU 319 Cb 0.12 -1.81 -0.00 0.00 -1.78 0.00 0.00 34.13 30.65 3dwk s GLU 319 CO 0.66 -2.44 0.03 0.54 -0.49 0.00 0.00 175.26 173.56 3dwk s ASN 320 N -4.20 0.04 0.24 -0.19 2.20 -1.26 -5.02 114.94 106.75 3dwk s ASN 320 Ca 0.67 -0.09 -0.04 0.00 -0.94 0.00 0.00 52.86 52.45 3dwk s ASN 320 Cb -0.12 0.10 0.41 0.00 -2.00 0.00 0.00 41.25 39.64 3dwk s ASN 320 CO 0.53 -0.11 1.78 0.25 -2.94 0.00 0.00 177.10 176.61 3dwk h LEU 321 N 5.58 0.51 -0.59 3.54 5.85 -1.98 -1.96 115.31 126.26 3dwk h LEU 321 Ca -0.27 0.07 0.12 0.00 0.84 0.00 0.00 57.88 58.64 3dwk h LEU 321 Cb 1.21 -0.01 -0.10 0.00 0.37 0.00 0.00 40.66 42.12 3dwk h LEU 321 CO 0.46 0.26 -0.04 1.23 -0.34 0.00 0.00 178.44 180.01 3dwk h GLY 322 N 0.63 0.56 0.65 3.75 0.00 -2.00 -0.84 103.07 105.83 3dwk h GLY 322 Ca 0.40 0.11 -0.09 0.00 0.00 0.00 0.00 47.33 47.75 3dwk h GLY 322 CO -0.30 -0.20 -0.33 -0.57 0.00 0.00 0.00 176.54 175.14 3dwk h ASN 323 N 0.08 0.37 -0.63 0.19 -0.00 -1.80 -3.29 115.58 110.51 3dwk h ASN 323 Ca 0.30 -0.68 0.12 0.00 -0.00 0.00 0.00 56.30 56.05 3dwk h ASN 323 Cb 0.48 -0.11 -0.04 0.00 -0.00 0.00 0.00 38.32 38.65 3dwk h ASN 323 CO -0.54 0.99 0.42 0.58 -0.00 0.00 0.00 177.43 178.89 3dwk h VAL 324 N -0.22 0.84 0.00 2.57 2.07 -1.05 -0.38 116.25 120.08 3dwk h VAL 324 Ca -0.03 -0.11 0.00 0.00 0.82 0.00 0.00 66.70 67.38 3dwk h VAL 324 Cb 1.00 0.48 0.00 0.00 -1.52 0.00 0.00 31.29 31.24 3dwk h VAL 324 CO 0.07 0.06 0.00 -0.07 0.02 0.00 0.00 177.57 177.65 3dwk h LEU 325 N 0.33 0.00 -1.47 2.57 3.38 -1.23 -3.18 115.31 115.72 3dwk h LEU 325 Ca 0.30 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.27 3dwk h LEU 325 Cb 0.72 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.47 3dwk h LEU 325 CO -0.08 0.00 -0.18 0.00 0.09 0.00 0.00 178.44 178.27 3dwk n GLN 326 N -2.45 1.74 -0.90 1.13 6.02 -0.19 -2.61 117.38 120.12 3dwk n GLN 326 Ca 0.05 -1.43 -0.18 0.00 -0.01 0.00 0.00 57.00 55.43 3dwk n GLN 326 Cb 0.44 -1.41 0.11 0.00 1.02 0.00 0.00 30.24 30.40 3dwk n GLN 326 CO 0.00 0.00 0.00 -1.13 -1.01 0.00 0.00 177.06 174.92 3dwk n SER 327 N 0.68 4.17 -4.11 1.08 3.41 -0.98 -2.03 113.62 115.84 3dwk n SER 327 Ca 0.11 -3.18 -0.29 0.00 -0.26 0.00 0.00 58.87 55.25 3dwk n SER 327 Cb 0.49 -0.79 -0.05 0.00 -0.26 0.00 0.00 64.21 63.61 3dwk n SER 327 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3dwk n GLY 328 N -0.57 -0.23 3.92 5.00 0.00 -0.26 -4.41 105.19 108.64 3dwk n GLY 328 Ca 0.43 0.15 -0.26 0.00 0.00 0.00 0.00 46.02 46.34 3dwk n GLY 328 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 3dwk s ILE 329 N -3.98 4.50 -0.18 -0.61 -4.36 -1.26 -3.79 121.20 111.52 3dwk s ILE 329 Ca 0.12 -0.05 -0.01 0.00 -0.26 0.00 0.00 60.65 60.45 3dwk s ILE 329 Cb -0.07 -3.71 0.00 0.00 1.25 0.00 0.00 42.46 39.94 3dwk s ILE 329 CO 0.93 -0.64 -0.13 -0.54 0.24 0.00 0.00 174.94 174.80 3dwk s LYS 330 N -4.71 3.22 -0.21 0.37 1.02 -0.06 -1.38 119.74 117.98 3dwk s LYS 330 Ca 0.48 -0.73 -0.07 0.00 0.02 0.00 0.00 55.97 55.67 3dwk s LYS 330 Cb -0.10 -2.72 -0.04 0.00 -0.52 0.00 0.00 37.83 34.45 3dwk s LYS 330 CO 0.43 -0.09 0.07 0.42 -0.92 0.00 0.00 175.35 175.26 3dwk s ILE 331 N 1.09 4.61 -0.20 2.17 1.01 0.29 -0.61 121.20 129.55 3dwk s ILE 331 Ca -0.00 -0.09 -0.04 0.00 0.00 0.00 0.00 60.65 60.52 3dwk s ILE 331 Cb -0.14 -3.11 -0.02 0.00 0.01 0.00 0.00 42.46 39.20 3dwk s ILE 331 CO -0.04 0.41 -0.03 -0.31 0.00 0.00 0.00 174.94 174.96 3dwk s TYR 332 N 0.88 2.98 0.47 3.97 1.51 -0.44 0.25 117.35 126.97 3dwk s TYR 332 Ca 0.04 -0.67 0.05 0.00 -1.01 0.00 0.00 57.07 55.47 3dwk s TYR 332 Cb -0.14 -2.06 -0.03 0.00 -0.11 0.00 0.00 41.96 39.63 3dwk s TYR 332 CO 0.03 -0.35 0.12 0.95 -1.11 0.00 0.00 175.55 175.18 3dwk s THR 333 N 1.09 1.69 -2.23 -0.71 -4.23 0.47 0.71 115.64 112.43 3dwk s THR 333 Ca 0.02 -1.84 0.19 0.00 -1.18 0.00 0.00 61.69 58.88 3dwk s THR 333 Cb -0.15 -2.52 0.43 0.00 1.34 0.00 0.00 72.50 71.60 3dwk s THR 333 CO 0.00 0.00 1.45 0.59 -0.54 0.00 0.00 174.62 176.12 3dwk n ASN 334 N -1.29 2.23 -4.70 3.99 5.03 -0.45 -3.15 115.26 116.92 3dwk n ASN 334 Ca -0.09 -1.86 -0.44 0.00 0.87 0.00 0.00 54.58 53.07 3dwk n ASN 334 Cb 0.66 -0.19 -0.03 0.00 -1.02 0.00 0.00 39.78 39.20 3dwk n ASN 334 CO 0.00 0.00 0.00 0.80 -1.83 0.00 0.00 177.26 176.23 3dwk n MET 335 N 0.70 2.37 -3.22 3.52 1.56 -1.23 -4.40 117.12 116.42 3dwk n MET 335 Ca 0.16 0.85 -0.42 0.00 -0.27 0.00 0.00 57.70 58.02 3dwk n MET 335 Cb 0.40 -2.59 -0.08 0.00 2.15 0.00 0.00 33.22 33.10 3dwk n MET 335 CO 0.00 0.00 0.00 0.34 -0.73 0.00 0.00 175.97 175.58 3dwk s ASP 336 N 0.58 6.30 0.27 6.12 -1.08 -0.28 -0.50 116.67 128.07 3dwk s ASP 336 Ca 0.69 -0.21 0.00 0.00 -0.52 0.00 0.00 52.55 52.51 3dwk s ASP 336 Cb -0.58 -2.28 0.59 0.00 -1.46 0.00 0.00 42.92 39.19 3dwk s ASP 336 CO 0.45 -0.57 1.72 0.50 0.52 0.00 0.00 175.17 177.79 3dwk h LYS 337 N 8.61 0.46 0.06 4.34 3.64 -1.92 -0.25 116.57 131.51 3dwk h LYS 337 Ca -0.27 -0.03 -0.00 0.00 -1.27 0.00 0.00 60.65 59.08 3dwk h LYS 337 Cb 1.11 -0.10 0.00 0.00 -0.41 0.00 0.00 32.23 32.83 3dwk h LYS 337 CO 0.81 0.30 -0.03 -0.44 -2.27 0.00 0.00 179.45 177.82 3dwk h ASP 338 N 0.47 -0.07 -0.76 4.20 3.45 -1.96 -2.86 116.42 118.89 3dwk h ASP 338 Ca 0.49 -0.56 0.09 0.00 0.43 0.00 0.00 57.03 57.48 3dwk h ASP 338 Cb 0.82 0.02 -0.07 0.00 -0.56 0.00 0.00 39.33 39.54 3dwk h ASP 338 CO -0.45 0.59 0.41 0.58 -1.57 0.00 0.00 179.24 178.80 3dwk h VAL 339 N -0.80 0.90 -0.83 -1.35 2.07 -1.87 -1.20 116.25 113.16 3dwk h VAL 339 Ca -0.01 -0.24 0.03 0.00 0.82 0.00 0.00 66.70 67.30 3dwk h VAL 339 Cb 0.63 0.13 -0.05 0.00 -1.52 0.00 0.00 31.29 30.47 3dwk h VAL 339 CO 0.01 0.13 0.54 -0.61 0.02 0.00 0.00 177.57 177.66 3dwk h GLN 340 N 0.71 1.02 -0.23 1.57 5.75 -1.09 0.13 115.11 122.97 3dwk h GLN 340 Ca 0.36 -0.06 -0.03 0.00 -0.15 0.00 0.00 58.65 58.77 3dwk h GLN 340 Cb 0.33 -0.23 -0.01 0.00 1.07 0.00 0.00 27.48 28.64 3dwk h GLN 340 CO -0.24 0.67 0.02 0.87 -2.65 0.00 0.00 178.83 177.50 3dwk h LYS 341 N 1.05 0.40 -0.11 1.69 1.57 -1.17 -2.27 116.57 117.72 3dwk h LYS 341 Ca 0.33 -0.12 0.04 0.00 -1.87 0.00 0.00 60.65 59.03 3dwk h LYS 341 Cb -0.00 -0.04 -0.04 0.00 0.08 0.00 0.00 32.23 32.23 3dwk h LYS 341 CO -0.11 0.56 -0.12 1.15 -0.57 0.00 0.00 179.45 180.36 3dwk h THR 342 N 0.18 0.66 -0.86 -0.16 2.02 -0.83 0.71 112.91 114.63 3dwk h THR 342 Ca 0.07 0.00 0.02 0.00 0.77 0.00 0.00 66.41 67.26 3dwk h THR 342 Cb 0.37 0.66 -0.05 0.00 -1.74 0.00 0.00 68.15 67.40 3dwk h THR 342 CO 0.01 0.00 0.56 0.25 0.37 0.00 0.00 175.52 176.71 3dwk h LEU 343 N -0.15 0.97 0.12 2.58 5.85 -0.95 -0.98 115.31 122.75 3dwk h LEU 343 Ca 0.08 -0.02 -0.27 0.00 0.84 0.00 0.00 57.88 58.51 3dwk h LEU 343 Cb 0.27 -0.23 0.00 0.00 0.37 0.00 0.00 40.66 41.07 3dwk h LEU 343 CO -0.20 0.69 -1.25 -0.61 -0.34 0.00 0.00 178.44 176.73 3dwk h GLN 344 N 1.14 0.26 0.50 1.25 5.75 -1.16 -2.45 115.11 120.39 3dwk h GLN 344 Ca 0.32 -0.44 -0.02 0.00 -0.15 0.00 0.00 58.65 58.36 3dwk h GLN 344 Cb -0.09 0.16 0.00 0.00 1.07 0.00 0.00 27.48 28.63 3dwk h GLN 344 CO -0.08 1.20 -0.24 -0.91 -2.65 0.00 0.00 178.83 176.15 3dwk h ASN 345 N 0.07 -0.57 -0.58 -0.69 2.35 -0.76 -1.32 115.58 114.08 3dwk h ASN 345 Ca -0.13 -0.02 0.08 0.00 -0.55 0.00 0.00 56.30 55.68 3dwk h ASN 345 Cb 1.97 0.15 -0.04 0.00 0.05 0.00 0.00 38.32 40.45 3dwk h ASN 345 CO 0.20 -0.34 0.39 -0.78 -1.65 0.00 0.00 177.43 175.25 3dwk h ASP 346 N -0.76 0.41 -0.03 5.81 1.82 -1.26 0.27 116.42 122.69 3dwk h ASP 346 Ca -0.07 0.01 -0.16 0.00 -0.39 0.00 0.00 57.03 56.41 3dwk h ASP 346 Cb 0.55 -0.08 -0.01 0.00 0.68 0.00 0.00 39.33 40.48 3dwk h ASP 346 CO 0.11 0.26 -0.54 0.58 -1.61 0.00 0.00 179.24 178.04 3dwk h VAL 347 N 0.46 1.31 0.17 2.25 2.07 -1.34 -1.16 116.25 120.02 3dwk h VAL 347 Ca 0.26 -1.78 -0.29 0.00 0.82 0.00 0.00 66.70 65.71 3dwk h VAL 347 Cb 0.43 1.74 0.03 0.00 -1.52 0.00 0.00 31.29 31.97 3dwk h VAL 347 CO -0.07 0.56 -1.26 0.44 0.02 0.00 0.00 177.57 177.25 3dwk h ASP 348 N 0.47 0.81 -0.49 0.57 3.45 0.16 -3.35 116.42 118.04 3dwk h ASP 348 Ca 0.01 -0.87 0.00 0.00 0.43 0.00 0.00 57.03 56.60 3dwk h ASP 348 Cb 1.09 -0.26 0.00 0.00 -0.56 0.00 0.00 39.33 39.60 3dwk h ASP 348 CO 0.11 1.61 0.00 0.59 -1.57 0.00 0.00 179.24 179.98 3dwk n ASN 349 N -3.83 3.53 -4.75 6.45 3.02 0.78 -4.97 115.26 115.50 3dwk n ASN 349 Ca -0.15 -1.97 -0.33 0.00 -0.03 0.00 0.00 54.58 52.10 3dwk n ASN 349 Cb 1.00 -0.32 0.08 0.00 -0.61 0.00 0.00 39.78 39.93 3dwk n ASN 349 CO 0.00 0.00 0.00 -0.83 -2.62 0.00 0.00 177.26 173.81 3dwk s GLY 350 N -1.24 2.09 0.00 7.41 0.00 -0.44 -4.94 107.32 110.21 3dwk s GLY 350 Ca 0.40 0.61 0.15 0.00 0.00 0.00 0.00 44.72 45.88 3dwk s GLY 350 CO 0.30 0.98 1.32 -1.14 0.00 0.00 0.00 173.10 174.56 3dwk n SER 351 N -2.85 3.18 -1.71 1.64 3.41 -1.26 -4.60 113.62 111.43 3dwk n SER 351 Ca 0.11 -1.96 -0.14 0.00 -0.26 0.00 0.00 58.87 56.62 3dwk n SER 351 Cb 0.52 -0.29 0.08 0.00 -0.26 0.00 0.00 64.21 64.26 3dwk n SER 351 CO 0.00 0.00 0.00 2.22 -0.16 0.00 0.00 175.04 177.10 3dwk n PHE 352 N 0.91 1.66 -3.99 7.33 -1.74 -1.26 -4.80 117.46 115.57 3dwk n PHE 352 Ca 0.15 -1.39 -0.34 0.00 -0.56 0.00 0.00 57.45 55.31 3dwk n PHE 352 Cb 0.48 -0.70 -0.15 0.00 1.52 0.00 0.00 39.48 40.64 3dwk n PHE 352 CO 0.00 0.00 0.00 0.71 -0.56 0.00 0.00 176.76 176.91 3dwk s TYR 353 N -1.81 2.93 0.26 2.97 2.02 -1.26 -4.88 117.35 117.58 3dwk s TYR 353 Ca 0.31 -1.34 -0.04 0.00 -0.37 0.00 0.00 57.07 55.63 3dwk s TYR 353 Cb 0.26 -2.03 0.32 0.00 -0.40 0.00 0.00 41.96 40.11 3dwk s TYR 353 CO 0.05 -0.68 1.92 -0.22 -1.57 0.00 0.00 175.55 175.04 3dwk h LYS 354 N 8.03 1.25 0.00 -0.62 3.64 -1.97 -3.47 116.57 123.43 3dwk h LYS 354 Ca -0.40 -0.08 0.00 0.00 -1.27 0.00 0.00 60.65 58.90 3dwk h LYS 354 Cb 1.14 -0.28 0.00 0.00 -0.41 0.00 0.00 32.23 32.68 3dwk h LYS 354 CO 0.61 0.83 0.00 0.27 -2.27 0.00 0.00 179.45 178.88 3dwk n ASN 355 N -4.42 0.00 -0.35 4.20 0.23 -1.26 -5.05 115.26 108.62 3dwk n ASN 355 Ca 0.13 0.00 0.13 0.00 -0.53 0.00 0.00 54.58 54.31 3dwk n ASN 355 Cb 0.06 0.00 0.37 0.00 -2.08 0.00 0.00 39.78 38.13 3dwk n ASN 355 CO 0.00 0.00 0.00 2.29 -0.93 0.00 0.00 177.26 178.62 3dwk n LYS 356 N 0.00 1.12 0.00 -3.83 2.85 -1.26 -3.81 118.16 113.23 3dwk n LYS 356 Ca 0.00 -0.70 0.12 0.00 -1.05 0.00 0.00 58.31 56.68 3dwk n LYS 356 Cb 0.00 -1.49 0.18 0.00 -0.65 0.00 0.00 35.03 33.07 3dwk n LYS 356 CO 0.00 0.00 0.00 -0.25 -0.05 0.00 0.00 177.40 177.10 3dwk n ASP 357 N -0.33 2.53 -4.77 -5.58 8.00 -1.26 -4.94 116.55 110.20 3dwk n ASP 357 Ca 0.14 -1.81 -0.39 0.00 0.71 0.00 0.00 54.79 53.43 3dwk n ASP 357 Cb 0.37 0.06 -0.06 0.00 -0.02 0.00 0.00 41.12 41.47 3dwk n ASP 357 CO 0.00 0.00 0.00 -1.58 -0.39 0.00 0.00 177.20 175.23 3dwk s GLN 358 N -2.07 4.61 0.14 -1.24 0.74 -1.25 -1.03 119.66 119.56 3dwk s GLN 358 Ca 0.29 1.21 0.06 0.00 0.05 0.00 0.00 55.36 56.97 3dwk s GLN 358 Cb 0.20 -3.25 -0.04 0.00 1.10 0.00 0.00 33.01 31.02 3dwk s GLN 358 CO 0.35 0.56 -0.15 -0.65 -0.55 0.00 0.00 175.29 174.84 3dwk s GLN 359 N -1.19 1.09 0.25 1.67 -0.21 0.12 -4.95 119.66 116.45 3dwk s GLN 359 Ca 0.37 -1.31 0.06 0.00 0.02 0.00 0.00 55.36 54.51 3dwk s GLN 359 Cb -0.23 -0.98 -0.05 0.00 1.00 0.00 0.00 33.01 32.74 3dwk s GLN 359 CO 0.27 0.19 -0.07 0.14 -2.12 0.00 0.00 175.29 173.70 3dwk s VAL 360 N -2.25 1.57 -0.13 1.09 -7.23 -1.26 -2.30 120.40 109.89 3dwk s VAL 360 Ca 0.12 -2.13 -0.05 0.00 -1.81 0.00 0.00 61.98 58.10 3dwk s VAL 360 Cb -0.04 -2.33 0.06 0.00 0.56 0.00 0.00 36.38 34.63 3dwk s VAL 360 CO 0.04 -0.38 0.28 -0.83 -0.31 0.00 0.00 175.10 173.89 3dwk s GLY 361 N -3.39 -0.15 -0.03 2.32 0.00 -0.54 -3.62 107.32 101.90 3dwk s GLY 361 Ca 0.27 1.03 0.03 0.00 0.00 0.00 0.00 44.72 46.05 3dwk s GLY 361 CO 0.10 1.75 -0.12 0.00 0.00 0.00 0.00 173.10 174.83 3dwk s ALA 362 N 1.99 1.09 -0.02 3.20 0.00 -0.45 -1.07 121.76 126.50 3dwk s ALA 362 Ca -0.03 -0.45 0.04 0.00 0.00 0.00 0.00 51.96 51.51 3dwk s ALA 362 Cb -0.11 -0.39 -0.01 0.00 0.00 0.00 0.00 23.12 22.61 3dwk s ALA 362 CO -0.09 0.19 -0.13 0.99 0.00 0.00 0.00 175.76 176.72 3dwk s THR 363 N 0.15 1.04 -0.18 0.00 2.01 -0.51 -1.00 115.64 117.15 3dwk s THR 363 Ca -0.03 -0.55 -0.00 0.00 0.31 0.00 0.00 61.69 61.42 3dwk s THR 363 Cb -0.10 -0.88 0.04 0.00 0.01 0.00 0.00 72.50 71.58 3dwk s THR 363 CO 0.01 0.30 -0.06 -0.63 -0.69 0.00 0.00 174.62 173.55 3dwk s ILE 364 N -0.21 1.24 0.23 1.82 1.01 0.39 -1.04 121.20 124.64 3dwk s ILE 364 Ca 0.03 -0.74 0.07 0.00 0.00 0.00 0.00 60.65 60.01 3dwk s ILE 364 Cb -0.06 -1.40 -0.04 0.00 0.01 0.00 0.00 42.46 40.97 3dwk s ILE 364 CO -0.00 0.12 0.14 -0.76 0.00 0.00 0.00 174.94 174.44 3dwk s LEU 365 N 1.57 3.68 -0.35 2.97 1.43 0.04 -0.47 118.68 127.57 3dwk s LEU 365 Ca -0.00 -0.29 -0.29 0.00 -1.03 0.00 0.00 54.13 52.52 3dwk s LEU 365 Cb -0.16 -2.24 0.00 0.00 0.03 0.00 0.00 46.19 43.82 3dwk s LEU 365 CO -0.08 0.00 1.43 -0.62 0.23 0.00 0.00 176.35 177.31 3dwk s ASP 366 N -3.58 6.41 0.21 2.29 -1.08 -0.14 -1.66 116.67 119.12 3dwk s ASP 366 Ca 0.32 1.07 -0.12 0.00 -0.52 0.00 0.00 52.55 53.30 3dwk s ASP 366 Cb -0.08 -2.54 0.28 0.00 -1.46 0.00 0.00 42.92 39.12 3dwk s ASP 366 CO 0.23 -1.32 1.64 0.28 0.52 0.00 0.00 175.17 176.52 3dwk h SER 367 N 10.41 -0.42 -0.19 -0.34 0.02 -0.87 0.45 113.55 122.60 3dwk h SER 367 Ca -0.28 0.17 -0.05 0.00 -0.84 0.00 0.00 61.79 60.80 3dwk h SER 367 Cb 1.11 0.33 -0.01 0.00 0.14 0.00 0.00 62.40 63.98 3dwk h SER 367 CO 1.06 -0.17 -0.06 0.11 -1.14 0.00 0.00 176.83 176.63 3dwk h LYS 368 N 0.06 0.38 0.01 3.45 1.57 -1.76 -3.36 116.57 116.92 3dwk h LYS 368 Ca 0.32 -0.15 -0.34 0.00 -1.87 0.00 0.00 60.65 58.62 3dwk h LYS 368 Cb 0.52 -0.02 -0.06 0.00 0.08 0.00 0.00 32.23 32.75 3dwk h LYS 368 CO -0.60 0.64 -2.06 0.25 -0.57 0.00 0.00 179.45 177.12 3dwk n THR 369 N -4.62 1.53 -0.38 -0.16 -2.24 -1.00 -4.98 114.28 102.43 3dwk n THR 369 Ca -0.05 -0.79 0.00 0.00 -2.27 0.00 0.00 64.05 60.94 3dwk n THR 369 Cb 0.28 -0.91 0.00 0.00 -2.10 0.00 0.00 70.33 67.60 3dwk n THR 369 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3dwk n GLY 370 N 1.73 0.70 3.74 3.38 0.00 0.15 -4.86 105.19 110.03 3dwk n GLY 370 Ca -0.27 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.34 3dwk n GLY 370 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 3dwk s GLY 371 N -1.43 2.44 -0.45 -0.02 0.00 -1.25 -2.89 107.32 103.73 3dwk s GLY 371 Ca 0.00 1.09 -0.28 0.00 0.00 0.00 0.00 44.72 45.54 3dwk s GLY 371 CO 0.00 2.07 1.83 -2.27 0.00 0.00 0.00 173.10 174.73 3dwk s LEU 372 N -0.03 3.42 0.00 0.66 2.96 -0.37 -0.97 118.68 124.36 3dwk s LEU 372 Ca 0.57 0.91 -0.10 0.00 -0.22 0.00 0.00 54.13 55.28 3dwk s LEU 372 Cb -0.36 -3.10 -0.32 0.00 0.50 0.00 0.00 46.19 42.92 3dwk s LEU 372 CO 0.37 -2.00 0.87 0.58 -1.32 0.00 0.00 176.35 174.85 3dwk h VAL 373 N 6.86 1.15 -1.83 1.68 2.07 -0.98 -3.26 116.25 121.95 3dwk h VAL 373 Ca -0.30 -2.69 -0.00 0.00 0.82 0.00 0.00 66.70 64.52 3dwk h VAL 373 Cb 1.17 2.87 -0.21 0.00 -1.52 0.00 0.00 31.29 33.60 3dwk h VAL 373 CO 1.11 0.84 0.32 0.00 0.02 0.00 0.00 177.57 179.86 3dwk s ALA 374 N -2.60 -1.84 -0.03 1.67 0.00 -0.93 -1.13 121.76 116.90 3dwk s ALA 374 Ca -0.11 1.51 -0.11 0.00 0.00 0.00 0.00 51.96 53.25 3dwk s ALA 374 Cb 0.05 -0.43 0.02 0.00 0.00 0.00 0.00 23.12 22.76 3dwk s ALA 374 CO 0.89 -0.34 0.24 -1.50 0.00 0.00 0.00 175.76 175.05 3dwk s ILE 375 N -0.94 0.05 -0.04 0.00 2.07 -1.26 -0.46 121.20 120.63 3dwk s ILE 375 Ca -0.06 -0.41 -0.01 0.00 -1.41 0.00 0.00 60.65 58.76 3dwk s ILE 375 Cb -0.01 -0.49 0.03 0.00 0.13 0.00 0.00 42.46 42.12 3dwk s ILE 375 CO 0.05 -0.23 0.03 -0.55 -1.91 0.00 0.00 174.94 172.33 3dwk s SER 376 N -0.95 0.70 0.06 4.50 0.15 -0.17 -4.24 113.70 113.74 3dwk s SER 376 Ca -0.10 0.01 0.25 0.00 0.70 0.00 0.00 55.95 56.81 3dwk s SER 376 Cb -0.05 -0.19 0.49 0.00 -1.71 0.00 0.00 66.02 64.56 3dwk s SER 376 CO 0.02 -0.16 1.42 0.61 1.20 0.00 0.00 173.24 176.33 3dwk n GLY 377 N 4.62 -1.35 0.00 9.45 0.00 -1.26 -1.34 105.19 115.31 3dwk n GLY 377 Ca -0.18 -0.28 0.00 0.00 0.00 0.00 0.00 46.02 45.57 3dwk n GLY 377 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3dwk n GLY 378 N 1.42 -2.71 3.70 -0.02 0.00 -1.24 -0.66 105.19 105.69 3dwk n GLY 378 Ca 0.05 -1.31 -0.42 0.00 0.00 0.00 0.00 46.02 44.34 3dwk n GLY 378 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 3dwk s ARG 379 N -1.99 4.51 -1.37 1.61 1.70 -1.26 -3.47 118.95 118.68 3dwk s ARG 379 Ca 0.00 1.38 -0.04 0.00 -0.47 0.00 0.00 55.73 56.61 3dwk s ARG 379 Cb 0.00 -3.49 0.02 0.00 -0.57 0.00 0.00 34.95 30.92 3dwk s ARG 379 CO 0.00 -0.13 0.77 -0.25 -1.08 0.00 0.00 175.30 174.61 3dwk n ASP 380 N 4.25 -2.13 -4.66 -2.89 8.00 -1.26 -4.86 116.55 113.00 3dwk n ASP 380 Ca 0.07 -0.81 -0.42 0.00 0.71 0.00 0.00 54.79 54.33 3dwk n ASP 380 Cb 0.50 -4.01 -0.03 0.00 -0.02 0.00 0.00 41.12 37.56 3dwk n ASP 380 CO 0.00 0.00 0.00 0.12 -0.39 0.00 0.00 177.20 176.93 3dwk s PHE 381 N -3.58 2.12 -0.13 1.24 2.19 -1.23 -5.02 117.98 113.58 3dwk s PHE 381 Ca 0.18 0.33 -0.08 0.00 0.33 0.00 0.00 56.93 57.69 3dwk s PHE 381 Cb -0.09 -3.85 -0.04 0.00 -1.31 0.00 0.00 43.02 37.73 3dwk s PHE 381 CO 0.82 -3.48 0.14 0.15 1.83 0.00 0.00 175.22 174.68 3dwk s LYS 382 N 3.95 3.58 0.00 10.12 -0.14 -1.26 -4.68 119.74 131.31 3dwk s LYS 382 Ca 0.70 -0.13 0.00 0.00 -1.36 0.00 0.00 55.97 55.18 3dwk s LYS 382 Cb -0.31 -3.23 0.00 0.00 -1.68 0.00 0.00 37.83 32.61 3dwk s LYS 382 CO 0.27 0.69 0.98 -3.47 -0.76 0.00 0.00 175.35 173.06 3dwk n ASP 383 N 2.25 0.00 0.11 2.83 -0.08 -1.26 -1.54 116.55 118.85 3dwk n ASP 383 Ca -0.19 0.98 0.09 0.00 -1.51 0.00 0.00 54.79 54.16 3dwk n ASP 383 Cb 0.54 -0.48 0.01 0.00 2.34 0.00 0.00 41.12 43.54 3dwk n ASP 383 CO 0.00 0.00 0.00 0.58 0.12 0.00 0.00 177.20 177.90 3dwk h VAL 384 N 0.00 0.12 -0.37 5.18 2.07 -1.96 -3.33 116.25 117.96 3dwk h VAL 384 Ca 0.00 -1.21 -0.03 0.00 0.82 0.00 0.00 66.70 66.27 3dwk h VAL 384 Cb 0.00 1.69 -0.02 0.00 -1.52 0.00 0.00 31.29 31.44 3dwk h VAL 384 CO 0.00 0.07 0.11 0.58 0.02 0.00 0.00 177.57 178.34 3dwk h VAL 385 N 0.00 1.22 -3.50 2.57 2.07 -1.93 -3.45 116.25 113.22 3dwk h VAL 385 Ca -0.03 -0.71 -0.67 0.00 0.82 0.00 0.00 66.70 66.11 3dwk h VAL 385 Cb 1.11 0.99 -0.16 0.00 -1.52 0.00 0.00 31.29 31.72 3dwk h VAL 385 CO 0.01 0.25 -0.68 0.20 0.02 0.00 0.00 177.57 177.37 3dwk s ASN 386 N -5.91 4.83 0.10 0.57 0.02 -0.59 -5.00 114.94 108.95 3dwk s ASN 386 Ca -0.13 -0.10 -0.31 0.00 -1.02 0.00 0.00 52.86 51.30 3dwk s ASN 386 Cb 0.09 -1.18 -0.09 0.00 0.02 0.00 0.00 41.25 40.10 3dwk s ASN 386 CO 0.76 0.28 1.61 -0.60 0.02 0.00 0.00 177.10 179.16 3dwk s ARG 387 N -1.52 4.21 -0.93 -0.60 6.06 -1.26 -4.82 118.95 120.08 3dwk s ARG 387 Ca 0.18 2.32 -0.24 0.00 -2.50 0.00 0.00 55.73 55.50 3dwk s ARG 387 Cb -0.11 -3.45 0.03 0.00 0.06 0.00 0.00 34.95 31.47 3dwk s ARG 387 CO 0.09 -0.68 1.51 1.21 -2.50 0.00 0.00 175.30 174.93 3dwk s ASN 388 N 1.97 6.18 0.01 -2.12 3.84 -1.26 -4.78 114.94 118.79 3dwk s ASN 388 Ca 0.72 -1.07 0.11 0.00 0.21 0.00 0.00 52.86 52.83 3dwk s ASN 388 Cb -0.41 -2.56 0.48 0.00 -0.55 0.00 0.00 41.25 38.21 3dwk s ASN 388 CO 0.32 -1.79 1.36 1.67 -2.79 0.00 0.00 177.10 175.86 3dwk n GLN 389 N 8.99 0.01 0.17 0.43 -0.06 0.17 -1.33 117.38 125.76 3dwk n GLN 389 Ca 0.28 0.32 0.05 0.00 -2.00 0.00 0.00 57.00 55.66 3dwk n GLN 389 Cb 0.50 -1.52 0.18 0.00 -4.06 0.00 0.00 30.24 25.34 3dwk n GLN 389 CO 0.00 0.00 0.00 0.00 -0.20 0.00 0.00 177.06 176.86 3dwk h ALA 390 N 2.36 0.82 -0.00 1.69 0.00 -1.72 -3.34 119.26 119.07 3dwk h ALA 390 Ca 0.00 -0.35 0.00 0.00 0.00 0.00 0.00 54.91 54.56 3dwk h ALA 390 Cb 0.19 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 17.92 3dwk h ALA 390 CO 0.00 0.48 -0.06 0.25 0.00 0.00 0.00 179.25 179.92 3dwk n THR 391 N -3.29 0.00 -2.92 0.00 -2.24 -0.44 -2.31 114.28 103.07 3dwk n THR 391 Ca 0.01 -0.47 -0.32 0.00 -2.27 0.00 0.00 64.05 61.01 3dwk n THR 391 Cb 0.62 1.03 -0.05 0.00 -2.10 0.00 0.00 70.33 69.83 3dwk n THR 391 CO 0.00 0.00 0.00 -1.81 -0.57 0.00 0.00 175.07 172.69 3dwk s ASP 392 N -0.71 6.67 0.24 3.42 1.11 -0.86 -4.69 116.67 121.85 3dwk s ASP 392 Ca 0.02 1.29 -0.30 0.00 0.18 0.00 0.00 52.55 53.75 3dwk s ASP 392 Cb 0.02 -2.38 -0.09 0.00 1.07 0.00 0.00 42.92 41.54 3dwk s ASP 392 CO 0.07 -0.34 0.93 -2.84 1.18 0.00 0.00 175.17 174.18 3dwk s PRO 393 N -3.45 4.85 0.08 8.23 0.02 -1.26 -3.81 135.00 139.65 3dwk s PRO 393 Ca 0.54 1.48 0.02 0.00 0.02 0.00 0.00 61.00 63.06 3dwk s PRO 393 Cb -0.10 -3.28 -0.03 0.00 0.02 0.00 0.00 34.50 31.10 3dwk s PRO 393 CO 0.24 0.52 -0.08 -1.01 -0.33 0.00 0.00 177.00 176.34 3dwk s HIS 394 N -1.17 0.85 0.34 6.54 3.76 -0.79 -4.78 115.29 120.04 3dwk s HIS 394 Ca 0.41 -0.71 -0.27 0.00 -0.15 0.00 0.00 55.06 54.34 3dwk s HIS 394 Cb -0.26 -0.49 -0.13 0.00 1.11 0.00 0.00 32.58 32.81 3dwk s HIS 394 CO 0.32 -0.09 1.01 -2.30 -0.85 0.00 0.00 174.74 172.83 3dwk n PRO 395 N 0.62 1.39 -0.00 8.40 -0.02 -1.26 -2.29 135.00 141.83 3dwk n PRO 395 Ca -0.17 0.49 0.09 0.00 -2.02 0.00 0.00 63.50 61.90 3dwk n PRO 395 Cb 0.58 -1.93 -0.12 0.00 -0.02 0.00 0.00 33.50 32.02 3dwk n PRO 395 CO 0.00 0.00 0.00 0.25 1.98 0.00 0.00 175.50 177.73 3dwk n THR 396 N -0.02 0.00 -4.54 3.45 -2.24 -0.91 -4.90 114.28 105.12 3dwk n THR 396 Ca 0.09 -0.08 0.00 0.00 -2.27 0.00 0.00 64.05 61.79 3dwk n THR 396 Cb 0.35 0.90 0.00 0.00 -2.10 0.00 0.00 70.33 69.47 3dwk n THR 396 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3dwk n GLY 397 N 1.45 1.84 0.48 3.38 0.00 -1.21 -2.20 105.19 108.93 3dwk n GLY 397 Ca 0.03 -0.49 0.00 0.00 0.00 0.00 0.00 46.02 45.56 3dwk n GLY 397 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 3dwk n SER 398 N -1.38 0.93 0.18 1.61 3.41 -1.24 -2.96 113.62 114.17 3dwk n SER 398 Ca 0.00 -1.94 0.03 0.00 -0.26 0.00 0.00 58.87 56.70 3dwk n SER 398 Cb 0.00 -0.46 0.34 0.00 -0.26 0.00 0.00 64.21 63.83 3dwk n SER 398 CO 0.00 0.00 0.00 0.28 -0.16 0.00 0.00 175.04 175.16 3dwk h SER 399 N 0.03 0.00 -0.19 4.04 0.02 -1.54 -3.24 113.55 112.67 3dwk h SER 399 Ca 0.00 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.95 3dwk h SER 399 Cb 0.46 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.00 3dwk h SER 399 CO 0.00 0.41 0.00 0.18 -1.14 0.00 0.00 176.83 176.28 3dwk n LEU 400 N -3.89 2.28 -0.31 5.07 4.77 -1.25 -4.34 117.00 119.32 3dwk n LEU 400 Ca -0.01 -0.91 0.03 0.00 -0.03 0.00 0.00 56.01 55.08 3dwk n LEU 400 Cb 0.46 -0.12 0.17 0.00 -2.33 0.00 0.00 43.42 41.60 3dwk n LEU 400 CO 0.38 0.46 1.18 0.11 -1.33 0.00 0.00 177.39 178.19 3dwk h LYS 401 N 3.13 0.88 -0.12 3.23 1.57 -1.78 0.33 116.57 123.82 3dwk h LYS 401 Ca 0.00 -0.05 0.03 0.00 -1.87 0.00 0.00 60.65 58.76 3dwk h LYS 401 Cb 0.68 -0.20 -0.00 0.00 0.08 0.00 0.00 32.23 32.79 3dwk h LYS 401 CO 0.00 0.58 0.19 -1.35 -0.57 0.00 0.00 179.45 178.30 3dwk h PRO 402 N 0.91 0.00 0.00 3.15 0.11 -1.87 -1.37 132.00 132.93 3dwk h PRO 402 Ca 0.41 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.52 3dwk h PRO 402 Cb 0.30 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.41 3dwk h PRO 402 CO -0.22 0.00 -1.48 1.19 -0.21 0.00 0.00 178.00 177.28 3dwk n PHE 403 N -3.51 0.00 0.10 0.65 0.99 0.03 -1.35 117.46 114.37 3dwk n PHE 403 Ca 0.00 0.00 0.02 0.00 -0.00 0.00 0.00 57.45 57.47 3dwk n PHE 403 Cb 0.29 -0.27 -0.02 0.00 -1.00 0.00 0.00 39.48 38.47 3dwk n PHE 403 CO 0.00 0.00 0.00 1.28 -0.00 0.00 0.00 176.76 178.04 3dwk n LEU 404 N -1.88 0.10 0.00 4.37 4.77 -0.71 -4.08 117.00 119.56 3dwk n LEU 404 Ca -0.02 -0.30 0.00 0.00 -0.03 0.00 0.00 56.01 55.66 3dwk n LEU 404 Cb 0.36 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.45 3dwk n LEU 404 CO 0.32 0.03 0.00 0.00 -1.33 0.00 0.00 177.39 176.40 3dwk n ALA 405 N -1.30 2.18 0.01 -1.18 0.00 -0.55 -4.56 120.51 115.11 3dwk n ALA 405 Ca 0.00 0.00 -0.10 0.00 0.00 0.00 0.00 53.44 53.34 3dwk n ALA 405 Cb 0.07 0.00 0.03 0.00 0.00 0.00 0.00 19.45 19.56 3dwk n ALA 405 CO 0.00 0.00 0.00 1.88 0.00 0.00 0.00 177.50 179.38 3dwk h TYR 406 N 0.00 0.70 0.44 0.00 0.05 -1.70 -2.56 116.97 113.90 3dwk h TYR 406 Ca 0.00 -0.27 -0.02 0.00 0.05 0.00 0.00 58.73 58.49 3dwk h TYR 406 Cb 0.00 -0.12 -0.01 0.00 1.01 0.00 0.00 36.73 37.61 3dwk h TYR 406 CO 0.00 1.02 -0.32 0.78 -1.05 0.00 0.00 178.16 178.58 3dwk h GLY 407 N 1.07 -1.02 1.09 3.88 0.00 -1.38 -0.39 103.07 106.33 3dwk h GLY 407 Ca -0.01 0.44 0.13 0.00 0.00 0.00 0.00 47.33 47.89 3dwk h GLY 407 CO 0.12 -0.33 0.33 -0.56 0.00 0.00 0.00 176.54 176.09 3dwk h PRO 408 N -0.73 0.00 -0.23 4.80 0.13 -1.75 -1.06 132.00 133.16 3dwk h PRO 408 Ca -0.06 0.00 -0.20 0.00 -0.87 0.00 0.00 66.00 64.87 3dwk h PRO 408 Cb 0.60 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.74 3dwk h PRO 408 CO 0.02 0.00 -0.65 0.00 -0.23 0.00 0.00 178.00 177.14 3dwk h ALA 409 N 1.77 0.40 -0.04 -0.56 0.00 -1.11 0.14 119.26 119.86 3dwk h ALA 409 Ca 0.22 -0.55 -0.16 0.00 0.00 0.00 0.00 54.91 54.42 3dwk h ALA 409 Cb 0.87 -0.05 -0.01 0.00 0.00 0.00 0.00 17.79 18.59 3dwk h ALA 409 CO -0.00 0.68 -0.67 0.82 0.00 0.00 0.00 179.25 180.08 3dwk h ILE 410 N 0.62 1.42 0.18 0.00 2.04 -0.51 -2.76 117.51 118.49 3dwk h ILE 410 Ca -0.02 -2.16 -0.01 0.00 1.00 0.00 0.00 64.86 63.68 3dwk h ILE 410 Cb 1.27 2.13 0.00 0.00 -0.74 0.00 0.00 36.82 39.48 3dwk h ILE 410 CO 0.14 0.63 -0.09 -0.08 0.00 0.00 0.00 178.15 178.76 3dwk h GLU 411 N 0.14 -0.23 0.00 2.37 4.57 -1.12 -2.90 114.58 117.40 3dwk h GLU 411 Ca -0.01 0.02 -0.13 0.00 -1.18 0.00 0.00 59.36 58.05 3dwk h GLU 411 Cb 1.20 0.05 -0.02 0.00 -0.16 0.00 0.00 28.75 29.82 3dwk h GLU 411 CO 0.10 0.17 -0.81 -0.91 -1.18 0.00 0.00 179.01 176.38 3dwk h ASN 412 N -0.88 0.00 0.00 1.04 2.35 -1.07 -3.35 115.58 113.67 3dwk h ASN 412 Ca -0.02 0.00 -0.02 0.00 -0.55 0.00 0.00 56.30 55.71 3dwk h ASN 412 Cb 0.51 0.00 -0.03 0.00 0.05 0.00 0.00 38.32 38.85 3dwk h ASN 412 CO 0.04 0.56 -0.37 1.15 -1.65 0.00 0.00 177.43 177.16 3dwk n MET 413 N -3.13 0.55 -4.19 0.81 0.00 -1.05 -4.96 117.12 105.15 3dwk n MET 413 Ca -0.02 -1.79 -0.34 0.00 0.00 0.00 0.00 57.70 55.56 3dwk n MET 413 Cb 0.78 -0.87 -0.06 0.00 0.00 0.00 0.00 33.22 33.07 3dwk n MET 413 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 175.97 177.60 3dwk n LYS 414 N -0.53 -1.14 -1.97 3.17 5.02 -1.09 -4.93 118.16 116.70 3dwk n LYS 414 Ca 0.07 0.14 -0.34 0.00 -2.02 0.00 0.00 58.31 56.17 3dwk n LYS 414 Cb 0.72 -3.50 0.03 0.00 -0.02 0.00 0.00 35.03 32.26 3dwk n LYS 414 CO 0.00 0.00 0.00 -1.58 -0.52 0.00 0.00 177.40 175.30 3dwk s TRP 415 N -4.10 2.61 0.48 2.13 0.52 -1.22 -4.61 118.94 114.74 3dwk s TRP 415 Ca 0.13 1.55 -0.07 0.00 0.02 0.00 0.00 56.10 57.73 3dwk s TRP 415 Cb -0.07 -3.24 -0.04 0.00 -1.15 0.00 0.00 33.47 28.97 3dwk s TRP 415 CO 0.97 -1.69 0.80 0.00 0.02 0.00 0.00 176.95 177.05 3dwk s ALA 416 N -2.06 3.36 0.33 0.98 0.00 -1.26 -4.61 121.76 118.50 3dwk s ALA 416 Ca 0.70 -0.40 0.02 0.00 0.00 0.00 0.00 51.96 52.28 3dwk s ALA 416 Cb -0.23 -2.66 0.57 0.00 0.00 0.00 0.00 23.12 20.80 3dwk s ALA 416 CO 0.35 -0.30 1.90 1.79 0.00 0.00 0.00 175.76 179.50 3dwk h THR 417 N 0.37 1.19 -0.37 0.00 1.35 -0.95 -1.29 112.91 113.21 3dwk h THR 417 Ca -0.47 -0.64 -0.14 0.00 -0.55 0.00 0.00 66.41 64.61 3dwk h THR 417 Cb 1.20 0.67 -0.09 0.00 -1.73 0.00 0.00 68.15 68.21 3dwk h THR 417 CO 0.62 0.24 0.18 -0.46 -0.25 0.00 0.00 175.52 175.86 3dwk n ASN 418 N -4.33 3.25 -4.74 5.36 6.94 -0.92 -1.87 115.26 118.96 3dwk n ASN 418 Ca 0.03 -2.60 -0.41 0.00 -0.02 0.00 0.00 54.58 51.58 3dwk n ASN 418 Cb 0.18 -0.63 0.01 0.00 -2.36 0.00 0.00 39.78 36.98 3dwk n ASN 418 CO 0.00 0.00 0.00 1.57 -1.03 0.00 0.00 177.26 177.80 3dwk n HIS 419 N -0.04 2.52 -4.00 -2.53 -0.00 -0.49 -1.86 115.22 108.82 3dwk n HIS 419 Ca 0.21 0.48 -0.35 0.00 0.46 0.00 0.00 57.72 58.52 3dwk n HIS 419 Cb 0.89 -2.44 -0.11 0.00 -0.12 0.00 0.00 29.99 28.21 3dwk n HIS 419 CO 0.00 0.00 0.00 0.00 0.46 0.00 0.00 176.34 176.80 3dwk s ALA 420 N -1.16 3.32 0.01 1.57 0.00 -0.98 -0.47 121.76 124.05 3dwk s ALA 420 Ca 0.58 -0.83 0.08 0.00 0.00 0.00 0.00 51.96 51.79 3dwk s ALA 420 Cb -0.49 -1.92 -0.02 0.00 0.00 0.00 0.00 23.12 20.69 3dwk s ALA 420 CO 0.60 0.05 -0.23 0.42 0.00 0.00 0.00 175.76 176.60 3dwk s ILE 421 N 0.61 1.87 -0.37 0.00 1.01 0.10 -4.83 121.20 119.60 3dwk s ILE 421 Ca 0.03 -1.11 -0.25 0.00 0.00 0.00 0.00 60.65 59.32 3dwk s ILE 421 Cb -0.13 -1.57 0.01 0.00 0.01 0.00 0.00 42.46 40.78 3dwk s ILE 421 CO 0.02 0.43 0.87 -1.58 0.00 0.00 0.00 174.94 174.68 3dwk s GLN 422 N -0.80 3.80 0.59 2.79 2.00 -1.26 -0.85 119.66 125.92 3dwk s GLN 422 Ca 0.09 0.46 -0.05 0.00 -2.00 0.00 0.00 55.36 53.87 3dwk s GLN 422 Cb -0.09 -3.81 0.02 0.00 0.80 0.00 0.00 33.01 29.93 3dwk s GLN 422 CO 0.00 -0.92 0.89 0.34 -0.50 0.00 0.00 175.29 175.10 3dwk s ASP 423 N 1.87 5.47 0.34 6.67 2.15 0.22 -4.83 116.67 128.56 3dwk s ASP 423 Ca 0.35 0.58 -0.05 0.00 0.43 0.00 0.00 52.55 53.86 3dwk s ASP 423 Cb -0.12 -1.53 0.01 0.00 -0.30 0.00 0.00 42.92 40.97 3dwk s ASP 423 CO 0.18 -1.12 0.53 -1.61 -0.17 0.00 0.00 175.17 172.98 3dwk s GLU 424 N -4.97 1.94 -0.09 4.34 2.02 -1.26 -4.31 118.70 116.37 3dwk s GLU 424 Ca 0.54 -1.67 -0.11 0.00 0.02 0.00 0.00 54.97 53.75 3dwk s GLU 424 Cb -0.10 0.48 -0.28 0.00 0.10 0.00 0.00 34.13 34.32 3dwk s GLU 424 CO 0.44 -0.83 0.52 0.66 0.02 0.00 0.00 175.26 176.07 3dwk h SER 425 N 2.10 0.48 -1.18 -0.19 4.64 -1.88 -3.34 113.55 114.17 3dwk h SER 425 Ca -0.29 -0.91 -0.65 0.00 -0.47 0.00 0.00 61.79 59.48 3dwk h SER 425 Cb 1.24 -0.15 -0.13 0.00 -0.31 0.00 0.00 62.40 63.05 3dwk h SER 425 CO 0.39 1.77 -0.56 -0.44 -0.87 0.00 0.00 176.83 177.11 3dwk s SER 426 N -7.14 3.93 -0.29 4.97 0.01 -1.26 -4.19 113.70 109.73 3dwk s SER 426 Ca -0.20 -1.49 -0.22 0.00 1.31 0.00 0.00 55.95 55.35 3dwk s SER 426 Cb 0.06 0.00 0.16 0.00 0.21 0.00 0.00 66.02 66.45 3dwk s SER 426 CO 0.80 -0.63 1.17 -0.47 0.41 0.00 0.00 173.24 174.52 3dwk s TYR 427 N -2.80 -0.32 -0.18 2.43 6.14 -0.50 -4.95 117.35 117.17 3dwk s TYR 427 Ca 0.23 0.74 -0.10 0.00 0.64 0.00 0.00 57.07 58.57 3dwk s TYR 427 Cb 0.06 0.36 -0.05 0.00 0.42 0.00 0.00 41.96 42.76 3dwk s TYR 427 CO 0.12 -0.16 0.16 -0.65 0.64 0.00 0.00 175.55 175.66 3dwk s GLN 428 N 0.46 4.07 -0.23 4.97 -1.52 -1.26 -0.77 119.66 125.38 3dwk s GLN 428 Ca 0.01 -0.14 -0.04 0.00 -1.95 0.00 0.00 55.36 53.24 3dwk s GLN 428 Cb -0.04 -3.38 0.09 0.00 -0.22 0.00 0.00 33.01 29.46 3dwk s GLN 428 CO -0.11 0.38 0.19 0.08 -0.25 0.00 0.00 175.29 175.57 3dwk s VAL 429 N 0.12 -0.23 0.00 1.09 1.01 -0.92 -5.02 120.40 116.45 3dwk s VAL 429 Ca 0.11 -0.32 0.00 0.00 0.00 0.00 0.00 61.98 61.77 3dwk s VAL 429 Cb -0.12 -0.77 0.00 0.00 0.00 0.00 0.00 36.38 35.50 3dwk s VAL 429 CO 0.00 -0.38 0.00 0.47 0.00 0.00 0.00 175.10 175.20 3dwk n ASP 430 N 5.29 -0.27 -1.73 3.32 9.92 -1.26 -3.37 116.55 128.46 3dwk n ASP 430 Ca -0.05 0.00 -0.10 0.00 -0.53 0.00 0.00 54.79 54.11 3dwk n ASP 430 Cb 0.47 0.00 0.02 0.00 -0.64 0.00 0.00 41.12 40.98 3dwk n ASP 430 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 3dwk n GLY 431 N 0.00 3.46 2.88 0.44 0.00 -1.26 -4.84 105.19 105.88 3dwk n GLY 431 Ca 0.00 -0.66 -0.12 0.00 0.00 0.00 0.00 46.02 45.23 3dwk n GLY 431 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 3dwk s SER 432 N 0.85 -0.01 0.05 1.61 0.01 -1.22 -5.15 113.70 109.85 3dwk s SER 432 Ca 0.19 0.03 -0.05 0.00 1.31 0.00 0.00 55.95 57.44 3dwk s SER 432 Cb 0.15 0.03 -0.05 0.00 0.21 0.00 0.00 66.02 66.36 3dwk s SER 432 CO -0.00 -0.01 0.28 -0.89 0.41 0.00 0.00 173.24 173.03 3dwk s THR 433 N 0.07 5.29 -0.01 1.44 2.01 -1.26 -2.17 115.64 121.02 3dwk s THR 433 Ca -0.01 0.01 0.03 0.00 0.31 0.00 0.00 61.69 62.03 3dwk s THR 433 Cb -0.01 -3.59 -0.01 0.00 0.01 0.00 0.00 72.50 68.90 3dwk s THR 433 CO -0.00 0.24 -0.09 -0.36 -0.69 0.00 0.00 174.62 173.72 3dwk s PHE 434 N -1.43 0.78 0.22 4.92 0.40 0.05 -4.96 117.98 117.95 3dwk s PHE 434 Ca 0.32 -0.15 0.02 0.00 -0.60 0.00 0.00 56.93 56.53 3dwk s PHE 434 Cb -0.13 -0.50 -0.05 0.00 0.51 0.00 0.00 43.02 42.85 3dwk s PHE 434 CO 0.21 -0.01 0.03 -0.98 0.70 0.00 0.00 175.22 175.16 3dwk s ARG 435 N -0.21 1.28 0.69 0.44 1.70 -1.26 -1.41 118.95 120.18 3dwk s ARG 435 Ca 0.03 -1.65 -0.13 0.00 -0.47 0.00 0.00 55.73 53.51 3dwk s ARG 435 Cb -0.03 -0.40 0.01 0.00 -0.57 0.00 0.00 34.95 33.96 3dwk s ARG 435 CO -0.00 -0.16 1.08 -0.80 -1.08 0.00 0.00 175.30 174.34 3dwk s ASN 436 N -3.26 5.12 0.26 -2.89 0.01 -1.26 -4.79 114.94 108.14 3dwk s ASN 436 Ca 0.29 1.82 -0.04 0.00 -0.71 0.00 0.00 52.86 54.22 3dwk s ASN 436 Cb 0.06 -2.53 0.32 0.00 0.41 0.00 0.00 41.25 39.52 3dwk s ASN 436 CO 0.08 -1.62 1.88 0.22 -1.51 0.00 0.00 177.10 176.16 3dwk h TYR 437 N -0.41 1.10 -0.04 2.20 3.20 -1.94 0.31 116.97 121.38 3dwk h TYR 437 Ca -0.45 -0.03 0.00 0.00 3.14 0.00 0.00 58.73 61.39 3dwk h TYR 437 Cb 1.23 -0.35 0.00 0.00 1.54 0.00 0.00 36.73 39.15 3dwk h TYR 437 CO 0.58 0.77 0.00 -0.40 -1.64 0.00 0.00 178.16 177.47 3dwk n ASP 438 N -4.34 0.45 0.00 -2.11 5.68 -1.26 -4.89 116.55 110.07 3dwk n ASP 438 Ca 0.08 -1.50 0.00 0.00 -0.50 0.00 0.00 54.79 52.87 3dwk n ASP 438 Cb 0.11 -0.03 0.00 0.00 -1.14 0.00 0.00 41.12 40.06 3dwk n ASP 438 CO 0.00 0.00 0.00 1.07 -1.33 0.00 0.00 177.20 176.94 3dwk n THR 439 N -0.49 0.00 -2.60 2.12 5.66 0.10 -4.95 114.28 114.12 3dwk n THR 439 Ca 0.14 0.00 -0.23 0.00 -3.05 0.00 0.00 64.05 60.91 3dwk n THR 439 Cb 0.13 -0.19 0.10 0.00 -1.55 0.00 0.00 70.33 68.83 3dwk n THR 439 CO 0.00 0.00 0.00 -0.54 -3.05 0.00 0.00 175.07 171.48 3dwk s LYS 440 N -0.37 1.80 -0.07 1.09 -0.14 -1.26 -4.79 119.74 115.99 3dwk s LYS 440 Ca 0.00 -1.08 0.04 0.00 -1.36 0.00 0.00 55.97 53.57 3dwk s LYS 440 Cb 0.00 -2.35 -0.02 0.00 -1.68 0.00 0.00 37.83 33.78 3dwk s LYS 440 CO 0.00 -1.35 -0.19 0.45 -0.76 0.00 0.00 175.35 173.50 3dwk s SER 441 N -4.70 3.58 -0.10 2.83 0.15 -1.25 -4.24 113.70 109.97 3dwk s SER 441 Ca 0.65 -0.37 0.16 0.00 0.70 0.00 0.00 55.95 57.09 3dwk s SER 441 Cb -0.06 -1.00 0.56 0.00 -1.71 0.00 0.00 66.02 63.81 3dwk s SER 441 CO 0.43 0.26 1.48 1.41 1.20 0.00 0.00 173.24 178.02 3dwk n HIS 442 N 2.86 1.08 -2.73 3.44 -0.00 -1.26 -4.95 115.22 113.66 3dwk n HIS 442 Ca -0.17 -0.65 0.00 0.00 -0.00 0.00 0.00 57.72 56.89 3dwk n HIS 442 Cb 0.52 -0.21 0.00 0.00 -0.00 0.00 0.00 29.99 30.30 3dwk n HIS 442 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.34 176.75 3dwk n GLY 443 N 0.53 2.59 3.74 -1.41 0.00 -1.26 -4.61 105.19 104.77 3dwk n GLY 443 Ca 0.21 -0.38 -0.40 0.00 0.00 0.00 0.00 46.02 45.44 3dwk n GLY 443 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3dwk s THR 444 N 0.00 4.69 0.00 2.61 2.01 -1.26 0.69 115.64 124.38 3dwk s THR 444 Ca 0.00 1.77 0.00 0.00 0.31 0.00 0.00 61.69 63.78 3dwk s THR 444 Cb 0.00 -4.18 -0.00 0.00 0.01 0.00 0.00 72.50 68.32 3dwk s THR 444 CO 0.00 0.33 -0.01 0.68 -0.69 0.00 0.00 174.62 174.93 3dwk s VAL 445 N 0.08 0.06 0.25 3.82 -7.23 -0.03 -4.93 120.40 112.42 3dwk s VAL 445 Ca 0.42 -0.22 -0.30 0.00 -1.81 0.00 0.00 61.98 60.07 3dwk s VAL 445 Cb -0.21 -0.09 -0.09 0.00 0.56 0.00 0.00 36.38 36.54 3dwk s VAL 445 CO 0.25 -0.10 1.18 -0.94 -0.31 0.00 0.00 175.10 175.17 3dwk s SER 446 N -0.33 7.11 0.45 4.85 1.04 -1.26 -0.72 113.70 124.84 3dwk s SER 446 Ca -0.03 2.34 0.31 0.00 0.48 0.00 0.00 55.95 59.04 3dwk s SER 446 Cb -0.02 -2.62 1.53 0.00 0.10 0.00 0.00 66.02 65.01 3dwk s SER 446 CO -0.00 -0.30 1.94 0.16 0.98 0.00 0.00 173.24 176.02 3dwk h ILE 447 N 3.33 0.00 -0.60 -1.02 3.07 -0.82 -0.80 117.51 120.67 3dwk h ILE 447 Ca -0.46 -0.15 0.02 0.00 1.55 0.00 0.00 64.86 65.81 3dwk h ILE 447 Cb 1.21 0.93 -0.03 0.00 -0.27 0.00 0.00 36.82 38.67 3dwk h ILE 447 CO 0.70 0.00 0.38 0.22 -1.05 0.00 0.00 178.15 178.40 3dwk h TYR 448 N 0.00 0.72 0.05 0.16 5.03 -1.64 -0.96 116.97 120.33 3dwk h TYR 448 Ca 0.00 0.02 -0.17 0.00 2.58 0.00 0.00 58.73 61.16 3dwk h TYR 448 Cb 0.18 -0.24 0.02 0.00 1.55 0.00 0.00 36.73 38.23 3dwk h TYR 448 CO 0.00 0.44 -0.69 -0.44 -1.32 0.00 0.00 178.16 176.15 3dwk h ASP 449 N 0.77 0.52 -0.34 -2.11 3.32 -1.51 -2.72 116.42 114.35 3dwk h ASP 449 Ca 0.23 -0.83 0.10 0.00 0.02 0.00 0.00 57.03 56.55 3dwk h ASP 449 Cb -0.04 -0.16 -0.01 0.00 0.22 0.00 0.00 39.33 39.33 3dwk h ASP 449 CO -0.07 1.29 0.37 0.00 -1.72 0.00 0.00 179.24 179.11 3dwk h ALA 450 N 0.24 2.02 0.00 3.45 0.00 -1.07 -0.32 119.26 123.58 3dwk h ALA 450 Ca -0.10 -0.01 -0.22 0.00 0.00 0.00 0.00 54.91 54.58 3dwk h ALA 450 Cb 1.44 0.03 -0.03 0.00 0.00 0.00 0.00 17.79 19.22 3dwk h ALA 450 CO 0.13 -0.55 -1.28 -0.11 0.00 0.00 0.00 179.25 177.44 3dwk n LEU 451 N -3.73 1.86 0.03 0.00 7.94 -0.38 -2.09 117.00 120.64 3dwk n LEU 451 Ca 0.05 0.45 0.05 0.00 -1.11 0.00 0.00 56.01 55.46 3dwk n LEU 451 Cb 0.53 -0.93 0.25 0.00 0.53 0.00 0.00 43.42 43.80 3dwk n LEU 451 CO 0.27 0.18 0.67 -2.11 -1.11 0.00 0.00 177.39 175.29 3dwk n ARG 452 N -4.44 0.04 0.00 1.96 1.85 -0.91 -1.40 116.66 113.75 3dwk n ARG 452 Ca -0.30 0.40 0.00 0.00 -1.00 0.00 0.00 57.85 56.95 3dwk n ARG 452 Cb 0.63 -1.60 -0.00 0.00 -1.05 0.00 0.00 32.46 30.45 3dwk n ARG 452 CO 0.00 0.00 0.00 1.04 -0.01 0.00 0.00 177.63 178.66 3dwk n GLN 453 N -1.67 3.72 -3.13 2.89 6.02 -0.18 -0.77 117.38 124.25 3dwk n GLN 453 Ca 0.02 -0.21 -0.14 0.00 -0.01 0.00 0.00 57.00 56.66 3dwk n GLN 453 Cb 0.10 -0.71 0.07 0.00 1.02 0.00 0.00 30.24 30.72 3dwk n GLN 453 CO 0.00 0.00 0.00 0.45 -1.01 0.00 0.00 177.06 176.50 3dwk n SER 454 N -0.59 -4.18 -4.77 1.08 2.88 -0.49 -4.81 113.62 102.75 3dwk n SER 454 Ca 0.00 -0.58 -0.39 0.00 -1.33 0.00 0.00 58.87 56.57 3dwk n SER 454 Cb 0.00 -4.58 -0.03 0.00 -0.75 0.00 0.00 64.21 58.85 3dwk n SER 454 CO 0.00 0.00 0.00 -0.36 -1.23 0.00 0.00 175.04 173.45 3dwk s PHE 455 N -3.33 3.32 -0.12 0.66 0.08 -0.89 -4.84 117.98 112.87 3dwk s PHE 455 Ca 0.21 1.62 -0.04 0.00 0.12 0.00 0.00 56.93 58.84 3dwk s PHE 455 Cb -0.03 -3.32 -0.26 0.00 -0.57 0.00 0.00 43.02 38.84 3dwk s PHE 455 CO 0.64 -0.91 0.38 0.09 -0.10 0.00 0.00 175.22 175.32 3dwk n ASN 456 N 0.58 1.99 0.06 1.36 3.02 -1.26 -3.83 115.26 117.18 3dwk n ASN 456 Ca 0.02 0.22 -0.13 0.00 -0.03 0.00 0.00 54.58 54.66 3dwk n ASN 456 Cb 0.46 -0.77 -0.08 0.00 -0.61 0.00 0.00 39.78 38.78 3dwk n ASN 456 CO 0.00 0.00 0.00 0.40 -2.62 0.00 0.00 177.26 175.04 3dwk h ILE 457 N 0.06 1.03 -0.85 2.41 1.08 -1.92 -2.08 117.51 117.25 3dwk h ILE 457 Ca -0.42 -0.38 0.10 0.00 -0.39 0.00 0.00 64.86 63.77 3dwk h ILE 457 Cb 2.03 1.29 -0.06 0.00 -3.07 0.00 0.00 36.82 37.01 3dwk h ILE 457 CO 0.08 0.10 0.55 -0.65 -0.69 0.00 0.00 178.15 177.54 3dwk h PRO 458 N -0.28 0.80 -0.06 2.37 0.11 -1.88 0.15 132.00 133.22 3dwk h PRO 458 Ca -0.01 -0.05 -0.12 0.00 0.11 0.00 0.00 66.00 65.94 3dwk h PRO 458 Cb 0.24 -0.18 -0.01 0.00 0.11 0.00 0.00 31.00 31.15 3dwk h PRO 458 CO 0.02 0.53 -0.50 0.00 -0.21 0.00 0.00 178.00 177.84 3dwk h ALA 459 N 1.57 1.07 -0.18 -0.75 0.00 -1.64 0.08 119.26 119.41 3dwk h ALA 459 Ca 0.39 -0.46 -0.07 0.00 0.00 0.00 0.00 54.91 54.77 3dwk h ALA 459 Cb 0.42 -0.09 -0.00 0.00 0.00 0.00 0.00 17.79 18.12 3dwk h ALA 459 CO -0.16 0.64 -0.16 -0.07 0.00 0.00 0.00 179.25 179.51 3dwk h LEU 460 N 0.12 0.45 0.30 0.00 3.38 -0.27 -0.63 115.31 118.65 3dwk h LEU 460 Ca 0.00 -0.46 0.00 0.00 0.09 0.00 0.00 57.88 57.51 3dwk h LEU 460 Cb 0.92 -0.13 -0.04 0.00 0.09 0.00 0.00 40.66 41.51 3dwk h LEU 460 CO 0.07 0.82 -0.48 0.11 0.09 0.00 0.00 178.44 179.05 3dwk h LYS 461 N 0.09 -0.81 -0.62 1.13 1.79 -0.60 -0.39 116.57 117.15 3dwk h LYS 461 Ca 0.03 0.06 0.12 0.00 -2.18 0.00 0.00 60.65 58.68 3dwk h LYS 461 Cb 0.68 0.18 -0.09 0.00 -1.58 0.00 0.00 32.23 31.42 3dwk h LYS 461 CO 0.04 -0.54 0.09 0.00 -1.08 0.00 0.00 179.45 177.96 3dwk h ALA 462 N -0.57 0.71 -0.54 3.86 0.00 -0.97 0.30 119.26 122.04 3dwk h ALA 462 Ca -0.02 0.15 0.00 0.00 0.00 0.00 0.00 54.91 55.05 3dwk h ALA 462 Cb 0.79 0.23 -0.03 0.00 0.00 0.00 0.00 17.79 18.78 3dwk h ALA 462 CO -0.17 -0.34 0.35 2.35 0.00 0.00 0.00 179.25 181.44 3dwk h TRP 463 N 0.21 0.68 -0.02 0.00 7.01 -0.86 -0.37 115.95 122.60 3dwk h TRP 463 Ca 0.33 0.02 -0.15 0.00 2.11 0.00 0.00 58.89 61.19 3dwk h TRP 463 Cb 0.52 -0.23 -0.02 0.00 -2.10 0.00 0.00 29.16 27.33 3dwk h TRP 463 CO -0.29 0.43 -0.69 1.96 -2.79 0.00 0.00 178.44 177.06 3dwk h GLN 464 N 0.73 0.10 -0.06 2.65 4.20 0.12 -2.09 115.11 120.76 3dwk h GLN 464 Ca 0.20 -0.08 -0.17 0.00 0.06 0.00 0.00 58.65 58.66 3dwk h GLN 464 Cb -0.08 0.02 -0.01 0.00 0.30 0.00 0.00 27.48 27.71 3dwk h GLN 464 CO -0.04 0.75 -0.69 0.77 -0.67 0.00 0.00 178.83 178.95 3dwk h SER 465 N 0.07 0.32 0.11 1.46 0.02 0.36 -2.33 113.55 113.55 3dwk h SER 465 Ca -0.01 -0.20 -0.13 0.00 -0.84 0.00 0.00 61.79 60.61 3dwk h SER 465 Cb 1.23 -0.09 -0.01 0.00 0.14 0.00 0.00 62.40 63.66 3dwk h SER 465 CO 0.10 0.91 -0.44 0.58 -1.14 0.00 0.00 176.83 176.84 3dwk h VAL 466 N 0.19 1.32 -0.21 2.27 2.07 -1.04 -1.85 116.25 118.98 3dwk h VAL 466 Ca -0.02 -1.62 -0.09 0.00 0.82 0.00 0.00 66.70 65.80 3dwk h VAL 466 Cb 1.23 1.67 -0.01 0.00 -1.52 0.00 0.00 31.29 32.66 3dwk h VAL 466 CO 0.11 0.50 -0.25 0.50 0.02 0.00 0.00 177.57 178.44 3dwk h LYS 467 N 0.34 0.40 0.00 1.57 3.64 -1.06 -2.17 116.57 119.28 3dwk h LYS 467 Ca 0.02 -0.14 -0.05 0.00 -1.27 0.00 0.00 60.65 59.22 3dwk h LYS 467 Cb 0.91 -0.03 -0.01 0.00 -0.41 0.00 0.00 32.23 32.70 3dwk h LYS 467 CO 0.08 0.62 -0.35 1.96 -2.27 0.00 0.00 179.45 179.49 3dwk h GLN 468 N 0.36 0.00 0.00 1.90 4.20 -1.35 -2.79 115.11 117.42 3dwk h GLN 468 Ca 0.05 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.76 3dwk h GLN 468 Cb 0.63 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.41 3dwk h GLN 468 CO 0.05 0.48 0.00 0.09 -0.67 0.00 0.00 178.83 178.78 3dwk n ASN 469 N -4.63 0.00 0.00 1.46 4.13 -0.70 -3.72 115.26 111.79 3dwk n ASN 469 Ca -0.11 -0.21 0.00 0.00 1.68 0.00 0.00 54.58 55.94 3dwk n ASN 469 Cb 0.33 -0.26 0.00 0.00 -1.54 0.00 0.00 39.78 38.31 3dwk n ASN 469 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 3dwk n ALA 470 N -1.26 0.21 0.00 5.41 0.00 -0.83 -4.94 120.51 119.11 3dwk n ALA 470 Ca 0.15 -0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.58 3dwk n ALA 470 Cb 0.22 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.67 3dwk n ALA 470 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3dwk n GLY 471 N 0.10 2.63 0.31 0.00 0.00 -1.07 -4.47 105.19 102.68 3dwk n GLY 471 Ca 0.00 -1.76 0.20 0.00 0.00 0.00 0.00 46.02 44.46 3dwk n GLY 471 CO 0.00 0.00 0.00 3.43 0.00 0.00 0.00 173.32 176.75 3dwk h ASN 472 N 0.00 0.00 -0.64 1.61 2.35 -1.80 -0.72 115.58 116.39 3dwk h ASN 472 Ca 0.00 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.75 3dwk h ASN 472 Cb 0.00 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.37 3dwk h ASN 472 CO 0.00 0.01 0.00 0.47 -1.65 0.00 0.00 177.43 176.26 3dwk n ASP 473 N -3.13 3.79 -0.11 5.81 8.00 -1.26 -4.46 116.55 125.19 3dwk n ASP 473 Ca -0.02 -2.00 -0.11 0.00 0.71 0.00 0.00 54.79 53.38 3dwk n ASP 473 Cb 0.17 -0.42 -0.03 0.00 -0.02 0.00 0.00 41.12 40.82 3dwk n ASP 473 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 3dwk h ALA 474 N 4.40 0.44 0.21 2.24 0.00 -1.35 -1.49 119.26 123.71 3dwk h ALA 474 Ca 0.00 -0.27 -0.00 0.00 0.00 0.00 0.00 54.91 54.64 3dwk h ALA 474 Cb 0.98 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 18.65 3dwk h ALA 474 CO 0.00 0.24 -0.14 -1.35 0.00 0.00 0.00 179.25 178.00 3dwk h PRO 475 N 0.39 -0.34 -0.52 0.00 0.11 -1.78 -2.18 132.00 127.68 3dwk h PRO 475 Ca 0.09 0.02 0.10 0.00 0.11 0.00 0.00 66.00 66.32 3dwk h PRO 475 Cb 0.52 0.08 -0.09 0.00 0.11 0.00 0.00 31.00 31.62 3dwk h PRO 475 CO 0.03 -0.22 0.00 -0.22 -0.21 0.00 0.00 178.00 177.37 3dwk h LYS 476 N -0.35 0.11 -0.08 1.05 3.64 -1.81 -1.62 116.57 117.52 3dwk h LYS 476 Ca -0.02 -0.01 0.01 0.00 -1.27 0.00 0.00 60.65 59.37 3dwk h LYS 476 Cb 0.30 -0.03 -0.01 0.00 -0.41 0.00 0.00 32.23 32.09 3dwk h LYS 476 CO 0.01 0.08 0.02 0.87 -2.27 0.00 0.00 179.45 178.15 3dwk h LYS 477 N 0.12 0.05 -0.08 1.90 1.57 -1.20 0.24 116.57 119.17 3dwk h LYS 477 Ca 0.27 -0.00 0.03 0.00 -1.87 0.00 0.00 60.65 59.08 3dwk h LYS 477 Cb 0.41 -0.01 -0.04 0.00 0.08 0.00 0.00 32.23 32.66 3dwk h LYS 477 CO -0.44 0.03 -0.15 0.35 -0.57 0.00 0.00 179.45 178.67 3dwk h PHE 478 N 0.05 -0.39 -0.37 -1.35 3.04 -1.05 -2.26 116.94 114.62 3dwk h PHE 478 Ca 0.03 0.02 -0.08 0.00 3.98 0.00 0.00 57.97 61.92 3dwk h PHE 478 Cb 0.02 0.18 -0.02 0.00 2.56 0.00 0.00 35.95 38.70 3dwk h PHE 478 CO -0.10 -0.22 -0.12 0.00 -2.02 0.00 0.00 178.31 175.85 3dwk h ALA 479 N 0.80 1.11 0.00 2.41 0.00 -1.06 -2.59 119.26 119.93 3dwk h ALA 479 Ca 0.08 -0.30 0.00 0.00 0.00 0.00 0.00 54.91 54.69 3dwk h ALA 479 Cb 0.32 -0.16 0.00 0.00 0.00 0.00 0.00 17.79 17.95 3dwk h ALA 479 CO -0.20 0.56 0.00 0.00 0.00 0.00 0.00 179.25 179.60 3dwk h ALA 480 N 1.28 1.00 0.00 0.00 0.00 -0.08 -1.04 119.26 120.42 3dwk h ALA 480 Ca 0.10 0.00 -0.08 0.00 0.00 0.00 0.00 54.91 54.93 3dwk h ALA 480 Cb 0.55 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.33 3dwk h ALA 480 CO 0.03 0.00 -0.39 0.87 0.00 0.00 0.00 179.25 179.77 3dwk h LYS 481 N 0.00 0.00 -0.68 0.00 1.79 -1.00 -3.19 116.57 113.50 3dwk h LYS 481 Ca 0.00 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.47 3dwk h LYS 481 Cb 0.40 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.05 3dwk h LYS 481 CO 0.00 0.39 0.00 1.28 -1.08 0.00 0.00 179.45 180.04 3dwk n LEU 482 N -3.40 4.59 0.00 2.94 4.77 -0.49 -4.76 117.00 120.65 3dwk n LEU 482 Ca 0.01 -2.31 0.00 0.00 -0.03 0.00 0.00 56.01 53.68 3dwk n LEU 482 Cb 0.57 -0.56 0.00 0.00 -2.33 0.00 0.00 43.42 41.09 3dwk n LEU 482 CO 0.37 0.83 0.00 0.61 -1.33 0.00 0.00 177.39 177.88 3dwk n GLY 483 N 1.25 0.79 3.37 -0.72 0.00 -1.19 -4.22 105.19 104.48 3dwk n GLY 483 Ca 0.25 0.00 -0.45 0.00 0.00 0.00 0.00 46.02 45.82 3dwk n GLY 483 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3dwk s LEU 484 N 0.00 5.92 0.22 0.99 1.43 -0.63 -4.99 118.68 121.61 3dwk s LEU 484 Ca 0.00 -2.17 0.02 0.00 -1.03 0.00 0.00 54.13 50.95 3dwk s LEU 484 Cb 0.00 -2.29 -0.04 0.00 0.03 0.00 0.00 46.19 43.90 3dwk s LEU 484 CO 0.00 -0.86 0.38 0.20 0.23 0.00 0.00 176.35 176.30 3dwk s ASN 485 N 3.01 6.34 -0.07 2.29 0.01 -1.26 -3.14 114.94 122.12 3dwk s ASN 485 Ca 0.20 0.25 -0.01 0.00 -0.71 0.00 0.00 52.86 52.59 3dwk s ASN 485 Cb -0.13 -1.94 0.03 0.00 0.41 0.00 0.00 41.25 39.62 3dwk s ASN 485 CO -0.05 -0.06 -0.01 -0.31 -1.51 0.00 0.00 177.10 175.15 3dwk s TYR 486 N -1.93 0.77 0.28 2.20 1.51 -1.26 -5.02 117.35 113.90 3dwk s TYR 486 Ca 0.36 -0.24 -0.00 0.00 -1.01 0.00 0.00 57.07 56.19 3dwk s TYR 486 Cb -0.10 -0.83 0.50 0.00 -0.11 0.00 0.00 41.96 41.42 3dwk s TYR 486 CO 0.30 -0.33 1.88 1.49 -1.11 0.00 0.00 175.55 177.78 3dwk h GLU 487 N 8.14 1.04 0.00 -0.62 4.57 -1.99 -3.46 114.58 122.27 3dwk h GLU 487 Ca -0.24 -0.06 0.00 0.00 -1.18 0.00 0.00 59.36 57.88 3dwk h GLU 487 Cb 1.13 -0.23 0.00 0.00 -0.16 0.00 0.00 28.75 29.48 3dwk h GLU 487 CO 0.31 0.69 0.00 0.41 -1.18 0.00 0.00 179.01 179.23 3dwk n GLY 488 N -1.37 5.42 3.77 1.92 0.00 -1.26 -5.14 105.19 108.53 3dwk n GLY 488 Ca 0.16 -1.27 -0.37 0.00 0.00 0.00 0.00 46.02 44.55 3dwk n GLY 488 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 3dwk s ASP 489 N 1.00 6.17 -0.74 1.61 1.01 -1.26 -5.00 116.67 119.46 3dwk s ASP 489 Ca 0.00 2.25 -0.14 0.00 0.71 0.00 0.00 52.55 55.37 3dwk s ASP 489 Cb 0.00 -2.60 0.19 0.00 1.01 0.00 0.00 42.92 41.53 3dwk s ASP 489 CO 0.00 -0.91 0.67 -0.63 0.21 0.00 0.00 175.17 174.51 3dwk s ILE 490 N -1.60 5.36 0.93 0.77 1.01 -1.26 -5.00 121.20 121.41 3dwk s ILE 490 Ca 0.64 -2.26 -0.15 0.00 0.00 0.00 0.00 60.65 58.88 3dwk s ILE 490 Cb -0.27 -4.35 0.17 0.00 0.01 0.00 0.00 42.46 38.03 3dwk s ILE 490 CO 0.32 -0.97 1.28 -0.83 0.00 0.00 0.00 174.94 174.74 3dwk s GLY 491 N 2.41 1.73 0.65 6.18 0.00 -1.26 -4.92 107.32 112.11 3dwk s GLY 491 Ca 0.14 -1.06 0.40 0.00 0.00 0.00 0.00 44.72 44.20 3dwk s GLY 491 CO -0.06 -0.35 2.32 -0.56 0.00 0.00 0.00 173.10 174.46 3dwk h PRO 492 N -1.53 0.00 0.29 2.90 0.13 -1.97 -2.82 132.00 129.00 3dwk h PRO 492 Ca -0.45 0.00 -0.01 0.00 -0.87 0.00 0.00 66.00 64.67 3dwk h PRO 492 Cb 1.26 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.39 3dwk h PRO 492 CO 0.45 0.00 -0.14 1.03 -0.23 0.00 0.00 178.00 179.11 3dwk h SER 493 N 0.00 -0.33 0.10 1.44 0.87 -1.93 -2.62 113.55 111.08 3dwk h SER 493 Ca 0.00 -0.21 -0.01 0.00 -1.23 0.00 0.00 61.79 60.35 3dwk h SER 493 Cb 0.03 0.09 -0.00 0.00 -0.44 0.00 0.00 62.40 62.08 3dwk h SER 493 CO -0.00 0.10 -0.03 1.05 -0.53 0.00 0.00 176.83 177.42 3dwk h GLU 494 N -0.84 0.00 -0.66 2.24 9.09 -1.63 0.65 114.58 123.43 3dwk h GLU 494 Ca -0.04 0.00 -0.05 0.00 0.05 0.00 0.00 59.36 59.32 3dwk h GLU 494 Cb 0.52 0.00 -0.03 0.00 -1.65 0.00 0.00 28.75 27.59 3dwk h GLU 494 CO 0.07 0.03 0.23 0.28 0.05 0.00 0.00 179.01 179.67 3dwk h VAL 495 N 0.00 1.25 -0.37 -1.06 2.07 -1.39 -2.42 116.25 114.33 3dwk h VAL 495 Ca -0.00 -0.82 0.00 0.00 0.82 0.00 0.00 66.70 66.70 3dwk h VAL 495 Cb 0.09 0.53 0.00 0.00 -1.52 0.00 0.00 31.29 30.40 3dwk h VAL 495 CO 0.00 0.32 0.00 0.18 0.02 0.00 0.00 177.57 178.09 3dwk n LEU 496 N -4.36 2.43 0.00 2.57 4.77 0.04 -4.46 117.00 117.99 3dwk n LEU 496 Ca 0.05 -1.22 0.00 0.00 -0.03 0.00 0.00 56.01 54.80 3dwk n LEU 496 Cb 0.20 -0.34 0.00 0.00 -2.33 0.00 0.00 43.42 40.95 3dwk n LEU 496 CO 0.40 0.50 0.00 0.61 -1.33 0.00 0.00 177.39 177.57 3dwk n GLY 497 N 0.92 0.71 0.00 -0.72 0.00 -0.62 -4.03 105.19 101.45 3dwk n GLY 497 Ca 0.13 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.15 3dwk n GLY 497 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3dwk n GLY 498 N -2.09 0.07 7.00 -0.02 0.00 -0.14 -2.77 105.19 107.25 3dwk n GLY 498 Ca 0.00 -1.83 0.00 0.00 0.00 0.00 0.00 46.02 44.19 3dwk n GLY 498 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 3dwk n SER 499 N -2.21 0.00 0.00 1.61 7.64 -1.26 -1.10 113.62 118.30 3dwk n SER 499 Ca 0.00 0.00 0.10 0.00 1.01 0.00 0.00 58.87 59.98 3dwk n SER 499 Cb 0.00 0.00 0.59 0.00 -1.01 0.00 0.00 64.21 63.79 3dwk n SER 499 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 3dwk n ALA 500 N 9.22 2.24 -1.77 -0.43 0.00 -1.26 -4.30 120.51 124.21 3dwk n ALA 500 Ca 0.00 -0.12 -0.41 0.00 0.00 0.00 0.00 53.44 52.90 3dwk n ALA 500 Cb 0.00 -1.33 -0.01 0.00 0.00 0.00 0.00 19.45 18.12 3dwk n ALA 500 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.50 177.93 3dwk n SER 501 N -1.03 5.23 -4.09 0.00 7.64 -0.26 -4.87 113.62 116.25 3dwk n SER 501 Ca 0.15 -2.85 -0.32 0.00 1.01 0.00 0.00 58.87 56.86 3dwk n SER 501 Cb 0.08 -1.59 -0.16 0.00 -1.01 0.00 0.00 64.21 61.52 3dwk n SER 501 CO 0.00 0.00 0.00 -1.61 -3.01 0.00 0.00 175.04 170.42 3dwk s GLU 502 N 2.30 2.74 0.07 1.43 2.02 -1.26 -2.14 118.70 123.85 3dwk s GLU 502 Ca 0.50 -0.73 -0.03 0.00 0.02 0.00 0.00 54.97 54.73 3dwk s GLU 502 Cb 0.14 -2.40 -0.03 0.00 0.10 0.00 0.00 34.13 31.94 3dwk s GLU 502 CO -0.07 -0.21 0.03 -0.06 0.02 0.00 0.00 175.26 174.97 3dwk s PHE 503 N 1.35 0.45 0.51 1.61 0.40 -0.97 -4.70 117.98 116.64 3dwk s PHE 503 Ca 0.05 -0.96 -0.14 0.00 -0.60 0.00 0.00 56.93 55.28 3dwk s PHE 503 Cb -0.13 -0.31 -0.07 0.00 0.51 0.00 0.00 43.02 43.02 3dwk s PHE 503 CO -0.12 -0.43 0.94 -1.54 0.70 0.00 0.00 175.22 174.77 3dwk s SER 504 N -2.92 6.51 0.41 1.36 1.04 -1.25 -1.89 113.70 116.97 3dwk s SER 504 Ca 0.08 1.43 0.18 0.00 0.48 0.00 0.00 55.95 58.12 3dwk s SER 504 Cb 0.07 -2.45 1.09 0.00 0.10 0.00 0.00 66.02 64.82 3dwk s SER 504 CO -0.09 -0.60 1.83 -0.65 0.98 0.00 0.00 173.24 174.70 3dwk h PRO 505 N 0.72 0.40 -0.63 4.02 0.11 -1.73 -0.85 132.00 134.03 3dwk h PRO 505 Ca -0.46 -0.02 -0.08 0.00 0.11 0.00 0.00 66.00 65.54 3dwk h PRO 505 Cb 1.19 -0.09 -0.02 0.00 0.11 0.00 0.00 31.00 32.18 3dwk h PRO 505 CO 0.62 0.26 0.07 1.15 -0.21 0.00 0.00 178.00 179.89 3dwk h THR 506 N 0.41 1.26 -0.45 -1.15 2.02 -1.79 0.12 112.91 113.33 3dwk h THR 506 Ca 0.51 -1.06 -0.07 0.00 0.77 0.00 0.00 66.41 66.56 3dwk h THR 506 Cb 1.28 0.70 -0.02 0.00 -1.74 0.00 0.00 68.15 68.37 3dwk h THR 506 CO -0.21 0.39 0.02 1.56 0.37 0.00 0.00 175.52 177.65 3dwk h GLN 507 N 0.99 0.78 -0.35 6.66 4.20 -1.50 -2.17 115.11 123.72 3dwk h GLN 507 Ca 0.19 -0.24 -0.15 0.00 0.06 0.00 0.00 58.65 58.51 3dwk h GLN 507 Cb 0.47 -0.08 -0.01 0.00 0.30 0.00 0.00 27.48 28.17 3dwk h GLN 507 CO 0.02 0.83 -0.39 -0.07 -0.67 0.00 0.00 178.83 178.56 3dwk h LEU 508 N 0.63 0.91 -0.70 1.46 3.38 -1.05 -1.87 115.31 118.07 3dwk h LEU 508 Ca 0.13 -0.41 0.07 0.00 0.09 0.00 0.00 57.88 57.76 3dwk h LEU 508 Cb 0.47 -0.26 -0.06 0.00 0.09 0.00 0.00 40.66 40.90 3dwk h LEU 508 CO 0.02 1.19 0.38 0.00 0.09 0.00 0.00 178.44 180.11 3dwk h ALA 509 N 0.86 0.95 -0.30 1.53 0.00 -0.67 0.16 119.26 121.79 3dwk h ALA 509 Ca 0.06 0.03 -0.00 0.00 0.00 0.00 0.00 54.91 55.00 3dwk h ALA 509 Cb 0.96 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 18.63 3dwk h ALA 509 CO 0.09 0.03 0.18 0.77 0.00 0.00 0.00 179.25 180.32 3dwk h SER 510 N 0.67 0.35 -0.32 0.00 0.02 -1.11 0.80 113.55 113.97 3dwk h SER 510 Ca 0.32 -0.05 -0.00 0.00 -0.84 0.00 0.00 61.79 61.23 3dwk h SER 510 Cb 0.25 -0.09 -0.02 0.00 0.14 0.00 0.00 62.40 62.69 3dwk h SER 510 CO -0.21 0.30 0.20 0.00 -1.14 0.00 0.00 176.83 175.97 3dwk h ALA 511 N 1.07 0.41 -0.26 3.77 0.00 -0.60 -2.97 119.26 120.68 3dwk h ALA 511 Ca 0.11 -0.04 -0.16 0.00 0.00 0.00 0.00 54.91 54.81 3dwk h ALA 511 Cb 0.01 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 17.66 3dwk h ALA 511 CO -0.02 -0.10 -0.48 0.74 0.00 0.00 0.00 179.25 179.39 3dwk h PHE 512 N 0.42 0.85 -0.30 0.00 -1.00 -0.51 -2.42 116.94 113.98 3dwk h PHE 512 Ca 0.12 -0.28 0.09 0.00 2.81 0.00 0.00 57.97 60.71 3dwk h PHE 512 Cb -0.00 -0.17 -0.01 0.00 3.61 0.00 0.00 35.95 39.37 3dwk h PHE 512 CO -0.04 1.04 0.31 0.00 -1.61 0.00 0.00 178.31 178.00 3dwk h ALA 513 N 0.91 1.99 0.66 2.45 0.00 -0.70 -0.61 119.26 123.97 3dwk h ALA 513 Ca 0.03 -0.01 -0.03 0.00 0.00 0.00 0.00 54.91 54.90 3dwk h ALA 513 Cb 1.03 0.02 0.01 0.00 0.00 0.00 0.00 17.79 18.85 3dwk h ALA 513 CO 0.10 -0.47 -0.32 0.00 0.00 0.00 0.00 179.25 178.57 3dwk h ALA 514 N 1.66 -0.89 -0.92 0.00 0.00 -1.28 -1.69 119.26 116.13 3dwk h ALA 514 Ca 0.14 -0.21 0.24 0.00 0.00 0.00 0.00 54.91 55.08 3dwk h ALA 514 Cb 0.76 0.34 -0.13 0.00 0.00 0.00 0.00 17.79 18.77 3dwk h ALA 514 CO -0.00 -0.96 0.43 0.82 0.00 0.00 0.00 179.25 179.54 3dwk h ILE 515 N -0.97 0.45 0.00 0.00 2.04 -1.22 -0.58 117.51 117.23 3dwk h ILE 515 Ca -0.09 -0.14 0.00 0.00 1.00 0.00 0.00 64.86 65.63 3dwk h ILE 515 Cb 0.70 0.01 0.00 0.00 -0.74 0.00 0.00 36.82 36.79 3dwk h ILE 515 CO 0.15 0.07 0.00 0.00 0.00 0.00 0.00 178.15 178.37 3dwk n ALA 516 N -2.46 2.17 -2.33 1.87 0.00 -0.60 -3.72 120.51 115.45 3dwk n ALA 516 Ca 0.24 -0.11 0.01 0.00 0.00 0.00 0.00 53.44 53.58 3dwk n ALA 516 Cb 0.71 -1.31 -0.00 0.00 0.00 0.00 0.00 19.45 18.84 3dwk n ALA 516 CO 0.00 0.00 0.00 0.27 0.00 0.00 0.00 177.50 177.77 3dwk n ASN 517 N -1.07 0.42 0.00 0.00 0.23 -0.44 -4.61 115.26 109.80 3dwk n ASN 517 Ca 0.13 -1.97 0.00 0.00 -0.53 0.00 0.00 54.58 52.21 3dwk n ASN 517 Cb 0.09 -0.15 0.00 0.00 -2.08 0.00 0.00 39.78 37.64 3dwk n ASN 517 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 3dwk n GLY 518 N 0.33 0.73 0.33 4.83 0.00 -1.20 -4.21 105.19 106.00 3dwk n GLY 518 Ca -0.02 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.00 3dwk n GLY 518 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3dwk n GLY 519 N -2.13 0.90 3.68 -0.02 0.00 -0.35 -4.01 105.19 103.26 3dwk n GLY 519 Ca 0.00 -0.16 -0.38 0.00 0.00 0.00 0.00 46.02 45.49 3dwk n GLY 519 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 3dwk s THR 520 N -2.00 5.24 0.10 2.61 -1.32 -1.25 -0.84 115.64 118.17 3dwk s THR 520 Ca 0.00 0.62 -0.22 0.00 -1.21 0.00 0.00 61.69 60.89 3dwk s THR 520 Cb 0.00 -3.69 -0.07 0.00 -1.51 0.00 0.00 72.50 67.23 3dwk s THR 520 CO 0.00 0.29 0.64 -0.47 -2.21 0.00 0.00 174.62 172.88 3dwk s TYR 521 N 1.08 3.83 -0.20 9.09 6.14 -0.37 -4.22 117.35 132.71 3dwk s TYR 521 Ca 0.17 1.40 -0.03 0.00 0.64 0.00 0.00 57.07 59.25 3dwk s TYR 521 Cb -0.14 -2.60 0.06 0.00 0.42 0.00 0.00 41.96 39.70 3dwk s TYR 521 CO 0.07 0.54 0.06 -0.80 0.64 0.00 0.00 175.55 176.06 3dwk s ASN 522 N -1.04 2.86 0.16 4.32 0.01 -1.26 -2.03 114.94 117.96 3dwk s ASN 522 Ca 0.32 -0.83 -0.33 0.00 -0.71 0.00 0.00 52.86 51.30 3dwk s ASN 522 Cb -0.21 -0.51 -0.13 0.00 0.41 0.00 0.00 41.25 40.81 3dwk s ASN 522 CO 0.21 -0.33 1.65 -3.20 -1.51 0.00 0.00 177.10 173.92 3dwk n ASN 523 N 5.10 3.41 -4.72 -1.22 5.15 -0.35 -4.76 115.26 117.87 3dwk n ASN 523 Ca -0.08 1.07 -0.43 0.00 -0.60 0.00 0.00 54.58 54.54 3dwk n ASN 523 Cb 0.47 -1.47 -0.02 0.00 -0.53 0.00 0.00 39.78 38.23 3dwk n ASN 523 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 3dwk n ALA 524 N 3.83 2.00 -3.72 5.20 0.00 -1.26 -4.59 120.51 121.97 3dwk n ALA 524 Ca 0.17 0.38 -0.13 0.00 0.00 0.00 0.00 53.44 53.87 3dwk n ALA 524 Cb 0.31 -2.39 -0.13 0.00 0.00 0.00 0.00 19.45 17.24 3dwk n ALA 524 CO 0.00 0.00 0.00 -3.38 0.00 0.00 0.00 177.50 174.12 3dwk s HIS 525 N -0.11 -0.33 -0.17 0.00 -3.43 -1.14 -4.95 115.29 105.16 3dwk s HIS 525 Ca 0.65 0.78 0.12 0.00 -0.80 0.00 0.00 55.06 55.81 3dwk s HIS 525 Cb -0.55 0.02 -0.23 0.00 -1.43 0.00 0.00 32.58 30.39 3dwk s HIS 525 CO 0.50 -0.24 0.19 -1.13 -2.00 0.00 0.00 174.74 172.06 3dwk n SER 526 N 4.39 0.75 -4.75 7.38 3.41 -1.26 -1.24 113.62 122.29 3dwk n SER 526 Ca -0.23 0.10 -0.38 0.00 -0.26 0.00 0.00 58.87 58.10 3dwk n SER 526 Cb 0.52 0.33 -0.06 0.00 -0.26 0.00 0.00 64.21 64.74 3dwk n SER 526 CO 0.00 0.00 0.00 -0.63 -0.16 0.00 0.00 175.04 174.25 3dwk s ILE 527 N -2.53 5.12 -0.17 -1.33 1.01 -1.26 -1.34 121.20 120.70 3dwk s ILE 527 Ca -0.14 0.97 -0.19 0.00 0.00 0.00 0.00 60.65 61.28 3dwk s ILE 527 Cb 0.07 -3.81 -0.17 0.00 0.01 0.00 0.00 42.46 38.56 3dwk s ILE 527 CO 0.78 0.38 0.28 1.56 0.00 0.00 0.00 174.94 177.95 3dwk h GLN 528 N 6.22 0.00 -2.19 2.79 4.20 -0.01 -3.45 115.11 122.66 3dwk h GLN 528 Ca -0.43 0.00 0.06 0.00 0.06 0.00 0.00 58.65 58.33 3dwk h GLN 528 Cb 1.19 0.00 -0.17 0.00 0.30 0.00 0.00 27.48 28.80 3dwk h GLN 528 CO 0.72 0.74 0.42 -1.59 -0.67 0.00 0.00 178.83 178.45 3dwk s LYS 529 N -2.22 0.88 0.00 1.46 -2.85 -1.18 -2.63 119.74 113.20 3dwk s LYS 529 Ca -0.21 -0.15 0.06 0.00 -1.00 0.00 0.00 55.97 54.68 3dwk s LYS 529 Cb 0.02 0.41 -0.03 0.00 -2.06 0.00 0.00 37.83 36.17 3dwk s LYS 529 CO 0.50 -0.35 -0.19 0.14 0.10 0.00 0.00 175.35 175.56 3dwk s VAL 530 N -2.49 2.72 -0.23 1.79 -7.23 -0.87 -1.32 120.40 112.76 3dwk s VAL 530 Ca 0.01 -1.05 -0.03 0.00 -1.81 0.00 0.00 61.98 59.10 3dwk s VAL 530 Cb -0.01 -2.09 0.01 0.00 0.56 0.00 0.00 36.38 34.86 3dwk s VAL 530 CO -0.05 0.45 -0.06 -0.69 -0.31 0.00 0.00 175.10 174.45 3dwk s VAL 531 N -0.81 3.07 0.82 1.32 1.01 0.22 -1.51 120.40 124.52 3dwk s VAL 531 Ca 0.13 -0.79 -0.11 0.00 0.00 0.00 0.00 61.98 61.21 3dwk s VAL 531 Cb -0.10 -2.48 0.08 0.00 0.00 0.00 0.00 36.38 33.88 3dwk s VAL 531 CO 0.03 0.31 1.09 0.42 0.00 0.00 0.00 175.10 176.95 3dwk s THR 532 N 1.39 2.98 0.30 3.92 -4.23 -0.44 -0.88 115.64 118.69 3dwk s THR 532 Ca 0.03 0.32 0.05 0.00 -1.18 0.00 0.00 61.69 60.91 3dwk s THR 532 Cb -0.15 -2.97 0.29 0.00 1.34 0.00 0.00 72.50 71.01 3dwk s THR 532 CO -0.04 -0.42 1.70 -0.09 -0.54 0.00 0.00 174.62 175.23 3dwk h ARG 533 N -1.22 0.43 0.49 3.99 2.43 -1.77 -2.61 114.38 116.11 3dwk h ARG 533 Ca -0.47 -0.03 -0.02 0.00 -0.81 0.00 0.00 59.98 58.65 3dwk h ARG 533 Cb 1.27 -0.10 0.00 0.00 -0.42 0.00 0.00 29.97 30.73 3dwk h ARG 533 CO 0.57 0.28 -0.23 0.38 -1.51 0.00 0.00 179.97 179.46 3dwk h ASP 534 N 0.44 -0.55 0.00 -3.80 3.04 -1.91 -3.48 116.42 110.16 3dwk h ASP 534 Ca 0.59 -0.05 0.00 0.00 -3.24 0.00 0.00 57.03 54.33 3dwk h ASP 534 Cb 1.12 0.14 0.00 0.00 -1.04 0.00 0.00 39.33 39.55 3dwk h ASP 534 CO -0.52 -0.15 0.00 0.61 -2.04 0.00 0.00 179.24 177.15 3dwk n GLY 535 N -0.14 0.00 3.78 7.15 0.00 -0.98 -5.16 105.19 109.85 3dwk n GLY 535 Ca -0.09 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.56 3dwk n GLY 535 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 3dwk s GLU 536 N 0.00 4.15 -0.35 1.61 2.12 -1.26 -4.83 118.70 120.15 3dwk s GLU 536 Ca 0.00 1.48 0.01 0.00 0.36 0.00 0.00 54.97 56.82 3dwk s GLU 536 Cb 0.00 -2.50 0.09 0.00 0.26 0.00 0.00 34.13 31.98 3dwk s GLU 536 CO 0.00 -0.15 0.07 0.99 -0.54 0.00 0.00 175.26 175.64 3dwk s THR 537 N -1.70 2.70 -0.13 -1.70 2.01 -1.26 -1.32 115.64 114.23 3dwk s THR 537 Ca 0.58 -2.04 -0.28 0.00 0.31 0.00 0.00 61.69 60.27 3dwk s THR 537 Cb -0.21 -2.83 -0.01 0.00 0.01 0.00 0.00 72.50 69.46 3dwk s THR 537 CO 0.26 -0.49 0.96 -0.63 -0.69 0.00 0.00 174.62 174.03 3dwk s ILE 538 N 1.05 4.80 -0.18 1.82 1.09 -0.57 -4.98 121.20 124.24 3dwk s ILE 538 Ca 0.05 1.93 -0.16 0.00 -1.10 0.00 0.00 60.65 61.37 3dwk s ILE 538 Cb -0.20 -4.26 -0.04 0.00 -1.06 0.00 0.00 42.46 36.89 3dwk s ILE 538 CO -0.05 -0.00 0.41 -1.61 -0.10 0.00 0.00 174.94 173.58 3dwk s GLU 539 N 2.14 4.22 0.09 2.79 0.41 -1.26 -2.06 118.70 125.03 3dwk s GLU 539 Ca 0.45 0.25 -0.08 0.00 -0.41 0.00 0.00 54.97 55.18 3dwk s GLU 539 Cb -0.17 -3.50 -0.06 0.00 -1.78 0.00 0.00 34.13 28.62 3dwk s GLU 539 CO 0.15 0.04 0.38 0.71 -0.49 0.00 0.00 175.26 176.05 3dwk s TYR 540 N 1.07 3.55 0.21 1.61 1.51 -1.08 -5.02 117.35 119.20 3dwk s TYR 540 Ca 0.20 0.70 0.02 0.00 -1.01 0.00 0.00 57.07 56.99 3dwk s TYR 540 Cb -0.15 -2.10 -0.05 0.00 -0.11 0.00 0.00 41.96 39.56 3dwk s TYR 540 CO 0.08 0.50 0.03 0.16 -1.11 0.00 0.00 175.55 175.21 3dwk s ASP 541 N -1.94 1.34 0.35 2.29 3.84 -1.26 -4.84 116.67 116.45 3dwk s ASP 541 Ca 0.35 -1.25 0.05 0.00 -0.00 0.00 0.00 52.55 51.70 3dwk s ASP 541 Cb -0.13 0.11 -0.07 0.00 -1.38 0.00 0.00 42.92 41.45 3dwk s ASP 541 CO 0.20 -0.60 0.02 -1.38 -0.00 0.00 0.00 175.17 173.40 3dwk s HIS 542 N -3.63 2.16 0.15 2.11 -3.43 -1.26 -5.11 115.29 106.27 3dwk s HIS 542 Ca 0.29 -0.81 -0.30 0.00 -0.80 0.00 0.00 55.06 53.44 3dwk s HIS 542 Cb 0.06 -1.43 -0.07 0.00 -1.43 0.00 0.00 32.58 29.72 3dwk s HIS 542 CO 0.08 0.21 1.09 0.99 -2.00 0.00 0.00 174.74 175.11 3dwk s THR 543 N -3.04 4.02 0.03 -5.38 2.01 -1.26 -4.95 115.64 107.06 3dwk s THR 543 Ca 0.35 1.67 -0.08 0.00 0.31 0.00 0.00 61.69 63.95 3dwk s THR 543 Cb 0.08 -4.07 -0.00 0.00 0.01 0.00 0.00 72.50 68.52 3dwk s THR 543 CO 0.16 0.26 0.15 -0.55 -0.69 0.00 0.00 174.62 173.94 3dwk s SER 544 N 0.11 0.07 0.00 3.53 0.15 -1.26 -1.21 113.70 115.08 3dwk s SER 544 Ca 0.50 -0.35 0.00 0.00 0.70 0.00 0.00 55.95 56.80 3dwk s SER 544 Cb -0.28 0.24 0.00 0.00 -1.71 0.00 0.00 66.02 64.27 3dwk s SER 544 CO 0.33 -0.48 0.00 0.00 1.20 0.00 0.00 173.24 174.29 3dwk n HIS 545 N 0.98 0.00 -1.67 3.44 1.44 -0.86 -5.00 115.22 113.55 3dwk n HIS 545 Ca -0.20 0.00 -0.48 0.00 -2.01 0.00 0.00 57.72 55.03 3dwk n HIS 545 Cb 0.58 0.00 -0.05 0.00 0.12 0.00 0.00 29.99 30.64 3dwk n HIS 545 CO 0.00 0.00 0.00 1.63 -2.81 0.00 0.00 176.34 175.16 3dwk n LYS 546 N -0.55 2.06 -0.10 -1.40 5.02 -1.26 -1.23 118.16 120.70 3dwk n LYS 546 Ca 0.00 0.75 -0.11 0.00 -2.02 0.00 0.00 58.31 56.93 3dwk n LYS 546 Cb 0.00 -2.54 -0.13 0.00 -0.02 0.00 0.00 35.03 32.34 3dwk n LYS 546 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 3dwk n ALA 547 N 4.62 1.54 -2.95 7.82 0.00 -0.02 -4.83 120.51 126.69 3dwk n ALA 547 Ca 0.19 -1.12 -0.11 0.00 0.00 0.00 0.00 53.44 52.41 3dwk n ALA 547 Cb 0.28 -0.10 -0.06 0.00 0.00 0.00 0.00 19.45 19.57 3dwk n ALA 547 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3dwk s MET 548 N -2.44 0.97 0.62 0.00 0.00 -0.72 -4.92 119.30 112.80 3dwk s MET 548 Ca -0.16 -0.66 -0.16 0.00 0.00 0.00 0.00 55.69 54.71 3dwk s MET 548 Cb 0.06 0.42 -0.02 0.00 0.00 0.00 0.00 34.83 35.29 3dwk s MET 548 CO 0.67 -0.35 1.11 -1.54 0.00 0.00 0.00 175.02 174.90 3dwk s SER 549 N -2.58 5.39 0.31 -1.18 1.04 -1.26 -4.45 113.70 110.97 3dwk s SER 549 Ca 0.01 2.02 0.08 0.00 0.48 0.00 0.00 55.95 58.54 3dwk s SER 549 Cb 0.02 -2.56 0.85 0.00 0.10 0.00 0.00 66.02 64.43 3dwk s SER 549 CO -0.09 -1.44 1.73 -2.24 0.98 0.00 0.00 173.24 172.18 3dwk h ASP 550 N 0.42 0.64 -0.29 7.02 2.03 -1.95 -1.94 116.42 122.35 3dwk h ASP 550 Ca -0.48 0.14 -0.11 0.00 -0.73 0.00 0.00 57.03 55.84 3dwk h ASP 550 Cb 1.25 0.04 -0.00 0.00 -0.83 0.00 0.00 39.33 39.78 3dwk h ASP 550 CO 0.55 0.10 -0.27 0.10 -1.03 0.00 0.00 179.24 178.70 3dwk h TYR 551 N 0.57 0.82 -0.19 4.15 -0.00 -1.91 -1.71 116.97 118.70 3dwk h TYR 551 Ca 0.63 -0.24 0.04 0.00 -0.00 0.00 0.00 58.73 59.16 3dwk h TYR 551 Cb 1.17 -0.17 -0.04 0.00 -0.00 0.00 0.00 36.73 37.68 3dwk h TYR 551 CO -0.02 0.98 -0.08 1.15 -0.00 0.00 0.00 178.16 180.19 3dwk h THR 552 N 0.43 0.74 -0.53 -0.90 2.02 -1.69 0.65 112.91 113.63 3dwk h THR 552 Ca 0.05 0.00 0.04 0.00 0.77 0.00 0.00 66.41 67.26 3dwk h THR 552 Cb 0.83 0.74 -0.04 0.00 -1.74 0.00 0.00 68.15 67.94 3dwk h THR 552 CO 0.07 0.00 0.29 0.00 0.37 0.00 0.00 175.52 176.25 3dwk h ALA 553 N 1.12 0.68 -0.49 6.16 0.00 -1.36 -0.60 119.26 124.77 3dwk h ALA 553 Ca 0.10 0.00 -0.12 0.00 0.00 0.00 0.00 54.91 54.89 3dwk h ALA 553 Cb 0.20 -0.11 -0.02 0.00 0.00 0.00 0.00 17.79 17.86 3dwk h ALA 553 CO -0.22 -0.02 -0.17 -0.92 0.00 0.00 0.00 179.25 177.91 3dwk h TYR 554 N 0.58 1.09 -0.43 0.00 5.03 -1.00 0.10 116.97 122.34 3dwk h TYR 554 Ca 0.22 -0.24 -0.15 0.00 2.58 0.00 0.00 58.73 61.14 3dwk h TYR 554 Cb 0.08 -0.26 -0.01 0.00 1.55 0.00 0.00 36.73 38.09 3dwk h TYR 554 CO -0.08 1.04 -0.31 0.52 -1.32 0.00 0.00 178.16 178.02 3dwk h MET 555 N 0.84 0.97 0.13 1.82 2.86 -0.60 0.16 114.93 121.12 3dwk h MET 555 Ca 0.12 -0.47 -0.01 0.00 -2.06 0.00 0.00 59.70 57.29 3dwk h MET 555 Cb 0.73 -0.01 0.00 0.00 0.06 0.00 0.00 31.60 32.38 3dwk h MET 555 CO 0.06 1.13 -0.06 -0.07 1.06 0.00 0.00 176.91 179.03 3dwk h LEU 556 N 0.81 -0.15 -1.00 1.22 4.07 -1.04 0.50 115.31 119.72 3dwk h LEU 556 Ca 0.08 -0.13 0.20 0.00 0.08 0.00 0.00 57.88 58.12 3dwk h LEU 556 Cb 0.90 0.04 -0.11 0.00 1.08 0.00 0.00 40.66 42.56 3dwk h LEU 556 CO 0.08 0.04 0.60 0.00 -1.08 0.00 0.00 178.44 178.08 3dwk h ALA 557 N 0.52 1.68 -0.00 1.53 0.00 -0.81 0.15 119.26 122.32 3dwk h ALA 557 Ca -0.02 0.09 -0.11 0.00 0.00 0.00 0.00 54.91 54.87 3dwk h ALA 557 Cb 0.27 -0.06 0.01 0.00 0.00 0.00 0.00 17.79 18.00 3dwk h ALA 557 CO 0.03 -0.09 -0.41 0.93 0.00 0.00 0.00 179.25 179.70 3dwk h GLU 558 N 0.72 0.29 -0.70 0.00 4.39 -0.41 -2.94 114.58 115.94 3dwk h GLU 558 Ca 0.59 -0.30 0.05 0.00 0.34 0.00 0.00 59.36 60.03 3dwk h GLU 558 Cb 0.96 0.09 -0.05 0.00 -0.10 0.00 0.00 28.75 29.64 3dwk h GLU 558 CO -0.40 1.01 0.42 0.52 -1.16 0.00 0.00 179.01 179.39 3dwk h MET 559 N -0.30 0.76 0.00 2.33 2.86 -0.42 -2.35 114.93 117.80 3dwk h MET 559 Ca -0.05 -0.05 0.00 0.00 -2.06 0.00 0.00 59.70 57.54 3dwk h MET 559 Cb 1.15 -0.17 0.00 0.00 0.06 0.00 0.00 31.60 32.64 3dwk h MET 559 CO 0.08 0.50 0.00 1.28 1.06 0.00 0.00 176.91 179.83 3dwk n LEU 560 N -4.73 0.71 0.23 1.22 4.77 -0.00 -0.36 117.00 118.85 3dwk n LEU 560 Ca 0.09 0.64 0.07 0.00 -0.03 0.00 0.00 56.01 56.78 3dwk n LEU 560 Cb 0.15 -0.49 0.57 0.00 -2.33 0.00 0.00 43.42 41.31 3dwk n LEU 560 CO 0.31 -0.44 0.92 0.11 -1.33 0.00 0.00 177.39 176.95 3dwk h LYS 561 N 0.00 0.00 0.00 3.23 1.57 -1.22 -0.55 116.57 119.60 3dwk h LYS 561 Ca 0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 3dwk h LYS 561 Cb 0.48 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.79 3dwk h LYS 561 CO 0.00 0.17 0.00 0.41 -0.57 0.00 0.00 179.45 179.46 3dwk n GLY 562 N -0.91 -0.86 0.18 3.86 0.00 0.52 -2.21 105.19 105.77 3dwk n GLY 562 Ca -0.02 -0.09 -0.06 0.00 0.00 0.00 0.00 46.02 45.85 3dwk n GLY 562 CO 0.00 0.00 0.00 -0.84 0.00 0.00 0.00 173.32 172.48 3dwk h THR 563 N 0.00 1.37 -0.01 2.61 2.02 -1.62 -3.03 112.91 114.26 3dwk h THR 563 Ca 0.00 -1.93 0.00 0.00 0.77 0.00 0.00 66.41 65.25 3dwk h THR 563 Cb 0.15 1.95 0.00 0.00 -1.74 0.00 0.00 68.15 68.52 3dwk h THR 563 CO 0.00 0.58 -0.14 0.49 0.37 0.00 0.00 175.52 176.82 3dwk n PHE 564 N -3.89 0.00 -3.19 3.16 0.99 -0.94 -2.06 117.46 111.53 3dwk n PHE 564 Ca -0.02 0.00 -0.29 0.00 -0.00 0.00 0.00 57.45 57.14 3dwk n PHE 564 Cb 0.61 -0.11 -0.03 0.00 -1.00 0.00 0.00 39.48 38.95 3dwk n PHE 564 CO 0.00 0.00 0.00 0.15 -0.00 0.00 0.00 176.76 176.91 3dwk s LYS 565 N -2.36 3.66 0.17 -1.08 1.02 -1.14 -3.80 119.74 116.21 3dwk s LYS 565 Ca 0.30 0.11 -0.31 0.00 0.02 0.00 0.00 55.97 56.09 3dwk s LYS 565 Cb 0.20 -2.57 -0.17 0.00 -0.52 0.00 0.00 37.83 34.77 3dwk s LYS 565 CO 0.46 0.13 0.84 -2.30 -0.92 0.00 0.00 175.35 173.56 3dwk n PRO 566 N -1.13 0.49 -0.02 -1.68 -0.02 -1.26 -0.13 135.00 131.25 3dwk n PRO 566 Ca -0.01 0.17 0.00 0.00 -2.02 0.00 0.00 63.50 61.65 3dwk n PRO 566 Cb 0.54 -1.44 0.00 0.00 -0.02 0.00 0.00 33.50 32.58 3dwk n PRO 566 CO 0.00 0.00 0.00 0.66 1.98 0.00 0.00 175.50 178.14 3dwk n TYR 567 N 0.64 0.00 -2.52 6.00 4.02 -1.26 -5.00 117.16 119.04 3dwk n TYR 567 Ca 0.16 0.00 -0.38 0.00 -0.01 0.00 0.00 57.90 57.68 3dwk n TYR 567 Cb 0.23 -0.12 -0.04 0.00 -0.02 0.00 0.00 39.34 39.40 3dwk n TYR 567 CO 0.00 0.00 0.00 0.20 -1.01 0.00 0.00 176.86 176.05 3dwk s GLY 568 N -2.00 2.83 0.31 2.72 0.00 0.81 -4.69 107.32 107.31 3dwk s GLY 568 Ca 0.00 0.76 0.17 0.00 0.00 0.00 0.00 44.72 45.65 3dwk s GLY 568 CO 0.00 1.24 1.47 -1.14 0.00 0.00 0.00 173.10 174.67 3dwk n SER 569 N 0.28 0.44 -1.56 1.64 3.41 0.05 -0.55 113.62 117.33 3dwk n SER 569 Ca 0.03 0.66 -0.01 0.00 -0.26 0.00 0.00 58.87 59.29 3dwk n SER 569 Cb 0.48 -0.67 0.09 0.00 -0.26 0.00 0.00 64.21 63.85 3dwk n SER 569 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3dwk n ALA 570 N -1.67 3.31 -1.69 7.33 0.00 -0.88 -4.99 120.51 121.92 3dwk n ALA 570 Ca -0.01 -3.00 -0.42 0.00 0.00 0.00 0.00 53.44 50.01 3dwk n ALA 570 Cb 0.16 -0.56 -0.03 0.00 0.00 0.00 0.00 19.45 19.02 3dwk n ALA 570 CO 0.00 0.00 0.00 0.98 0.00 0.00 0.00 177.50 178.48 3dwk n TYR 571 N -0.44 2.62 -0.00 0.00 -0.00 0.29 -2.16 117.16 117.47 3dwk n TYR 571 Ca 0.17 -0.15 0.00 0.00 -0.00 0.00 0.00 57.90 57.92 3dwk n TYR 571 Cb 0.91 -2.73 0.00 0.00 -0.00 0.00 0.00 39.34 37.51 3dwk n TYR 571 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.86 177.27 3dwk n GLY 572 N 4.24 0.07 0.77 2.98 0.00 -1.25 -4.91 105.19 107.10 3dwk n GLY 572 Ca 0.18 0.00 0.09 0.00 0.00 0.00 0.00 46.02 46.29 3dwk n GLY 572 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 3dwk n HIS 573 N -2.00 0.19 -1.59 1.61 8.25 -0.92 -4.97 115.22 115.79 3dwk n HIS 573 Ca 0.00 -0.13 -0.31 0.00 -0.26 0.00 0.00 57.72 57.02 3dwk n HIS 573 Cb 0.00 -0.00 0.05 0.00 1.12 0.00 0.00 29.99 31.15 3dwk n HIS 573 CO 0.00 0.00 0.00 0.20 0.64 0.00 0.00 176.34 177.18 3dwk s GLY 574 N -1.32 1.68 0.25 -1.41 0.00 -1.26 -4.29 107.32 100.96 3dwk s GLY 574 Ca 0.24 0.08 -0.08 0.00 0.00 0.00 0.00 44.72 44.97 3dwk s GLY 574 CO 0.22 0.39 0.55 0.14 0.00 0.00 0.00 173.10 174.41 3dwk s VAL 575 N -3.04 4.97 0.00 1.40 1.01 -1.26 -5.05 120.40 118.43 3dwk s VAL 575 Ca 0.58 0.31 0.00 0.00 0.00 0.00 0.00 61.98 62.87 3dwk s VAL 575 Cb -0.14 -3.66 0.00 0.00 0.00 0.00 0.00 36.38 32.58 3dwk s VAL 575 CO 0.55 -0.17 0.51 -0.24 0.00 0.00 0.00 175.10 175.74 3dwk n SER 576 N -0.45 0.00 0.00 3.32 2.88 -1.26 -3.61 113.62 114.50 3dwk n SER 576 Ca -0.00 0.59 0.06 0.00 -1.33 0.00 0.00 58.87 58.19 3dwk n SER 576 Cb 0.53 -0.25 0.39 0.00 -0.75 0.00 0.00 64.21 64.12 3dwk n SER 576 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 3dwk n GLY 577 N 0.21 -0.87 3.73 0.46 0.00 -1.26 -4.82 105.19 102.64 3dwk n GLY 577 Ca 0.00 -0.08 -0.35 0.00 0.00 0.00 0.00 46.02 45.59 3dwk n GLY 577 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3dwk s VAL 578 N -2.00 5.18 -0.53 1.61 1.01 -1.24 -4.48 120.40 119.96 3dwk s VAL 578 Ca 0.19 0.10 -0.26 0.00 0.00 0.00 0.00 61.98 62.01 3dwk s VAL 578 Cb 0.09 -3.32 0.03 0.00 0.00 0.00 0.00 36.38 33.18 3dwk s VAL 578 CO 0.15 0.49 1.04 0.20 0.00 0.00 0.00 175.10 176.98 3dwk s ASN 579 N 0.01 6.45 -0.04 3.32 0.01 -1.26 -4.75 114.94 118.68 3dwk s ASN 579 Ca 0.08 0.01 -0.07 0.00 -0.71 0.00 0.00 52.86 52.18 3dwk s ASN 579 Cb -0.12 -2.49 0.01 0.00 0.41 0.00 0.00 41.25 39.07 3dwk s ASN 579 CO 0.00 -1.26 0.16 0.00 -1.51 0.00 0.00 177.10 174.49 3dwk s MET 580 N 4.26 0.33 0.29 -0.60 0.23 -1.26 -4.14 119.30 118.40 3dwk s MET 580 Ca 0.38 -0.04 0.11 0.00 -1.03 0.00 0.00 55.69 55.11 3dwk s MET 580 Cb -0.10 0.14 -0.05 0.00 -1.53 0.00 0.00 34.83 33.30 3dwk s MET 580 CO 0.25 -0.06 -0.13 0.20 -2.03 0.00 0.00 175.02 173.24 3dwk s GLY 581 N -0.55 1.89 0.16 3.16 0.00 -0.84 -4.49 107.32 106.65 3dwk s GLY 581 Ca -0.06 -1.87 -0.17 0.00 0.00 0.00 0.00 44.72 42.62 3dwk s GLY 581 CO 0.01 -1.92 0.47 0.00 0.00 0.00 0.00 173.10 171.66 3dwk s ALA 582 N -2.49 -0.99 -0.04 3.20 0.00 -0.24 -0.88 121.76 120.32 3dwk s ALA 582 Ca 0.31 -0.08 -0.02 0.00 0.00 0.00 0.00 51.96 52.17 3dwk s ALA 582 Cb -0.04 0.79 0.03 0.00 0.00 0.00 0.00 23.12 23.90 3dwk s ALA 582 CO 0.16 -0.72 0.05 0.21 0.00 0.00 0.00 175.76 175.46 3dwk s LYS 583 N -3.83 0.05 0.35 0.00 2.36 0.48 -4.65 119.74 114.51 3dwk s LYS 583 Ca 0.06 0.31 -0.04 0.00 -2.55 0.00 0.00 55.97 53.75 3dwk s LYS 583 Cb 0.00 -0.57 -0.04 0.00 -1.05 0.00 0.00 37.83 36.17 3dwk s LYS 583 CO -0.08 -0.31 0.61 0.95 1.55 0.00 0.00 175.35 178.07 3dwk s THR 584 N 2.04 5.00 -0.02 3.43 -4.23 -1.26 -1.54 115.64 119.06 3dwk s THR 584 Ca 0.04 -0.01 0.03 0.00 -1.18 0.00 0.00 61.69 60.58 3dwk s THR 584 Cb -0.12 -3.79 -0.00 0.00 1.34 0.00 0.00 72.50 69.92 3dwk s THR 584 CO -0.03 -0.50 -0.12 -0.83 -0.54 0.00 0.00 174.62 172.60 3dwk s GLY 585 N -3.57 0.64 -0.08 3.99 0.00 0.27 -3.80 107.32 104.78 3dwk s GLY 585 Ca 0.44 -0.48 -0.01 0.00 0.00 0.00 0.00 44.72 44.67 3dwk s GLY 585 CO 0.34 -0.28 -0.02 -1.59 0.00 0.00 0.00 173.10 171.56 3dwk s THR 586 N -0.02 0.53 -0.23 0.90 2.01 -1.26 0.66 115.64 118.22 3dwk s THR 586 Ca -0.00 0.02 0.00 0.00 0.31 0.00 0.00 61.69 62.02 3dwk s THR 586 Cb -0.08 -0.65 0.03 0.00 0.01 0.00 0.00 72.50 71.82 3dwk s THR 586 CO 0.00 0.28 -0.11 -0.83 -0.69 0.00 0.00 174.62 173.28 3dwk s GLY 587 N 1.86 1.57 1.06 4.40 0.00 0.14 -3.63 107.32 112.73 3dwk s GLY 587 Ca 0.04 -1.49 -0.18 0.00 0.00 0.00 0.00 44.72 43.10 3dwk s GLY 587 CO -0.06 0.48 1.27 -0.51 0.00 0.00 0.00 173.10 174.29 3dwk s THR 588 N 1.25 1.86 0.35 0.90 -4.23 -1.26 -0.96 115.64 113.54 3dwk s THR 588 Ca -0.01 0.00 0.00 0.00 -1.18 0.00 0.00 61.69 60.50 3dwk s THR 588 Cb -0.17 -2.84 -0.03 0.00 1.34 0.00 0.00 72.50 70.80 3dwk s THR 588 CO -0.07 0.00 0.56 -0.31 -0.54 0.00 0.00 174.62 174.26 3dwk s TYR 589 N -3.65 3.50 0.52 3.99 2.02 -1.26 -4.59 117.35 117.88 3dwk s TYR 589 Ca 0.75 0.38 -0.21 0.00 -0.37 0.00 0.00 57.07 57.61 3dwk s TYR 589 Cb -0.04 -1.92 -0.07 0.00 -0.40 0.00 0.00 41.96 39.53 3dwk s TYR 589 CO 0.54 0.10 1.11 0.41 -1.57 0.00 0.00 175.55 176.14 3dwk n GLY 590 N -1.79 0.07 0.24 0.71 0.00 -1.26 -4.86 105.19 98.30 3dwk n GLY 590 Ca -0.04 0.01 0.09 0.00 0.00 0.00 0.00 46.02 46.07 3dwk n GLY 590 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3dwk h ALA 591 N 1.16 1.53 -0.16 4.61 0.00 -2.01 -1.84 119.26 122.55 3dwk h ALA 591 Ca -0.48 -0.13 -0.21 0.00 0.00 0.00 0.00 54.91 54.09 3dwk h ALA 591 Cb 1.33 -0.02 0.01 0.00 0.00 0.00 0.00 17.79 19.11 3dwk h ALA 591 CO 0.55 0.18 -0.72 1.05 0.00 0.00 0.00 179.25 180.31 3dwk h GLU 592 N 0.00 0.72 0.00 0.00 9.09 -2.02 -3.22 114.58 119.15 3dwk h GLU 592 Ca -0.00 -0.56 0.00 0.00 0.05 0.00 0.00 59.36 58.85 3dwk h GLU 592 Cb 0.30 0.11 0.00 0.00 -1.65 0.00 0.00 28.75 27.51 3dwk h GLU 592 CO 0.02 1.18 0.00 1.15 0.05 0.00 0.00 179.01 181.41 3dwk h THR 593 N 0.51 0.00 -0.29 -1.06 2.02 -1.69 -1.98 112.91 110.41 3dwk h THR 593 Ca -0.04 -0.40 -0.05 0.00 0.77 0.00 0.00 66.41 66.69 3dwk h THR 593 Cb 1.33 1.28 -0.02 0.00 -1.74 0.00 0.00 68.15 69.01 3dwk h THR 593 CO 0.15 0.00 -0.02 1.88 0.37 0.00 0.00 175.52 177.89 3dwk h TYR 594 N 0.00 0.47 0.01 3.16 -1.99 -1.50 -3.05 116.97 114.07 3dwk h TYR 594 Ca 0.00 -0.04 -0.17 0.00 2.00 0.00 0.00 58.73 60.51 3dwk h TYR 594 Cb 0.48 -0.14 -0.02 0.00 2.00 0.00 0.00 36.73 39.05 3dwk h TYR 594 CO 0.00 0.48 -0.92 0.77 -0.00 0.00 0.00 178.16 178.49 3dwk h SER 595 N 0.43 0.02 -1.16 3.88 0.02 -1.53 0.34 113.55 115.55 3dwk h SER 595 Ca 0.09 -0.67 0.33 0.00 -0.84 0.00 0.00 61.79 60.70 3dwk h SER 595 Cb 0.32 -0.01 -0.08 0.00 0.14 0.00 0.00 62.40 62.78 3dwk h SER 595 CO 0.01 1.36 0.79 -0.61 -1.14 0.00 0.00 176.83 177.25 3dwk h GLN 596 N -0.95 0.17 -0.12 3.45 4.15 -1.51 -0.79 115.11 119.51 3dwk h GLN 596 Ca -0.25 -0.01 0.00 0.00 0.77 0.00 0.00 58.65 59.16 3dwk h GLN 596 Cb 1.25 -0.04 0.00 0.00 0.21 0.00 0.00 27.48 28.90 3dwk h GLN 596 CO -0.14 0.11 0.00 0.66 -1.93 0.00 0.00 178.83 177.54 3dwk n TYR 597 N -4.42 0.16 -3.83 3.99 4.02 -1.15 -5.01 117.16 110.92 3dwk n TYR 597 Ca 0.27 -0.40 -0.27 0.00 -0.01 0.00 0.00 57.90 57.49 3dwk n TYR 597 Cb 1.13 -0.03 0.01 0.00 -0.02 0.00 0.00 39.34 40.43 3dwk n TYR 597 CO 0.00 0.00 0.00 0.09 -1.01 0.00 0.00 176.86 175.94 3dwk n ASN 598 N 0.00 -2.05 -4.76 7.72 3.02 -0.30 -0.24 115.26 118.65 3dwk n ASN 598 Ca 0.05 -0.99 -0.40 0.00 -0.03 0.00 0.00 54.58 53.21 3dwk n ASN 598 Cb 0.29 -3.28 -0.05 0.00 -0.61 0.00 0.00 39.78 36.12 3dwk n ASN 598 CO 0.00 0.00 0.00 -0.76 -2.62 0.00 0.00 177.26 173.88 3dwk s LEU 599 N -6.78 4.51 1.01 3.41 1.43 0.08 -3.38 118.68 118.96 3dwk s LEU 599 Ca 0.16 1.51 -0.11 0.00 -1.03 0.00 0.00 54.13 54.66 3dwk s LEU 599 Cb -0.06 -3.24 0.20 0.00 0.03 0.00 0.00 46.19 43.12 3dwk s LEU 599 CO 0.87 0.10 1.10 -2.16 0.23 0.00 0.00 176.35 176.49 3dwk s PRO 600 N -0.53 0.30 0.23 1.29 0.04 -1.26 -4.85 135.00 130.22 3dwk s PRO 600 Ca 0.37 1.27 -0.07 0.00 0.04 0.00 0.00 61.00 62.60 3dwk s PRO 600 Cb -0.21 -1.66 0.26 0.00 0.04 0.00 0.00 34.50 32.92 3dwk s PRO 600 CO 0.24 -3.03 1.86 -0.44 0.04 0.00 0.00 177.00 175.68 3dwk h ASP 601 N -2.14 0.85 -0.71 6.66 3.45 -1.98 -2.87 116.42 119.68 3dwk h ASP 601 Ca -0.50 0.00 -0.44 0.00 0.43 0.00 0.00 57.03 56.52 3dwk h ASP 601 Cb 1.29 -0.18 -0.18 0.00 -0.56 0.00 0.00 39.33 39.70 3dwk h ASP 601 CO 0.45 0.57 0.53 -0.46 -1.57 0.00 0.00 179.24 178.77 3dwk n ASN 602 N -4.60 6.78 -4.62 6.45 6.94 -1.26 -4.91 115.26 120.04 3dwk n ASN 602 Ca 0.10 -3.27 -0.36 0.00 -0.02 0.00 0.00 54.58 51.03 3dwk n ASN 602 Cb 0.11 -1.06 -0.10 0.00 -2.36 0.00 0.00 39.78 36.36 3dwk n ASN 602 CO 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 177.26 176.23 3dwk s ALA 603 N -2.31 3.52 0.06 -2.53 0.00 -1.08 -1.38 121.76 118.03 3dwk s ALA 603 Ca 0.43 -0.91 0.09 0.00 0.00 0.00 0.00 51.96 51.56 3dwk s ALA 603 Cb 0.33 -2.25 -0.03 0.00 0.00 0.00 0.00 23.12 21.17 3dwk s ALA 603 CO -0.05 -0.20 -0.24 0.00 0.00 0.00 0.00 175.76 175.27 3dwk s ALA 604 N 1.08 2.39 -0.17 0.00 0.00 0.17 -4.39 121.76 120.85 3dwk s ALA 604 Ca 0.07 -1.27 -0.04 0.00 0.00 0.00 0.00 51.96 50.72 3dwk s ALA 604 Cb -0.14 -0.56 -0.23 0.00 0.00 0.00 0.00 23.12 22.19 3dwk s ALA 604 CO 0.04 0.55 0.17 1.17 0.00 0.00 0.00 175.76 177.69 3dwk n LYS 605 N 1.58 0.72 -4.62 0.00 4.81 -0.14 -0.80 118.16 119.71 3dwk n LYS 605 Ca -0.17 0.23 -0.23 0.00 -0.87 0.00 0.00 58.31 57.27 3dwk n LYS 605 Cb 0.52 -1.65 -0.16 0.00 0.02 0.00 0.00 35.03 33.77 3dwk n LYS 605 CO 0.00 0.00 0.00 -0.51 1.17 0.00 0.00 177.40 178.06 3dwk s ASP 606 N -6.87 1.68 -0.04 3.14 1.01 -0.96 -4.18 116.67 110.44 3dwk s ASP 606 Ca -0.27 -0.27 0.04 0.00 0.71 0.00 0.00 52.55 52.77 3dwk s ASP 606 Cb 0.07 -0.41 -0.00 0.00 1.01 0.00 0.00 42.92 43.59 3dwk s ASP 606 CO 0.71 0.12 -0.16 0.68 0.21 0.00 0.00 175.17 176.73 3dwk s VAL 607 N 0.05 1.33 0.09 -1.27 -7.23 -0.52 0.27 120.40 113.11 3dwk s VAL 607 Ca -0.02 -0.66 0.07 0.00 -1.81 0.00 0.00 61.98 59.56 3dwk s VAL 607 Cb -0.09 -1.15 -0.03 0.00 0.56 0.00 0.00 36.38 35.67 3dwk s VAL 607 CO 0.01 0.39 -0.17 0.26 -0.31 0.00 0.00 175.10 175.27 3dwk s TRP 608 N 0.07 1.51 -0.04 2.82 0.52 0.21 -0.75 118.94 123.28 3dwk s TRP 608 Ca -0.04 -0.44 0.01 0.00 0.02 0.00 0.00 56.10 55.65 3dwk s TRP 608 Cb -0.11 -0.83 0.02 0.00 -1.15 0.00 0.00 33.47 31.39 3dwk s TRP 608 CO 0.02 0.14 -0.06 -1.50 0.02 0.00 0.00 176.95 175.57 3dwk s ILE 609 N -1.27 0.61 -0.30 2.03 2.07 -0.34 -0.57 121.20 123.43 3dwk s ILE 609 Ca 0.03 -0.20 0.03 0.00 -1.41 0.00 0.00 60.65 59.10 3dwk s ILE 609 Cb -0.10 -0.60 0.08 0.00 0.13 0.00 0.00 42.46 41.97 3dwk s ILE 609 CO 0.03 0.23 -0.01 0.20 -1.91 0.00 0.00 174.94 173.48 3dwk s ASN 610 N 0.68 4.51 0.20 4.50 0.01 -0.59 -0.78 114.94 123.47 3dwk s ASN 610 Ca -0.10 -1.76 0.10 0.00 -0.71 0.00 0.00 52.86 50.39 3dwk s ASN 610 Cb -0.13 -1.50 -0.04 0.00 0.41 0.00 0.00 41.25 39.99 3dwk s ASN 610 CO 0.01 -0.30 -0.14 -0.83 -1.51 0.00 0.00 177.10 174.32 3dwk s GLY 611 N 1.07 1.73 -0.14 0.66 0.00 -0.09 -0.38 107.32 110.17 3dwk s GLY 611 Ca 0.02 -1.57 -0.09 0.00 0.00 0.00 0.00 44.72 43.09 3dwk s GLY 611 CO -0.08 -1.60 0.34 -0.11 0.00 0.00 0.00 173.10 171.66 3dwk s PHE 612 N -1.79 -0.45 0.48 1.90 -0.71 -0.06 0.09 117.98 117.43 3dwk s PHE 612 Ca 0.24 1.03 0.06 0.00 -1.04 0.00 0.00 56.93 57.23 3dwk s PHE 612 Cb -0.08 0.16 -0.00 0.00 -1.21 0.00 0.00 43.02 41.89 3dwk s PHE 612 CO 0.14 -0.26 0.33 0.95 -1.34 0.00 0.00 175.22 175.04 3dwk s THR 613 N 0.96 2.05 0.56 -4.49 -4.23 0.13 -1.99 115.64 108.63 3dwk s THR 613 Ca -0.06 -1.52 0.27 0.00 -1.18 0.00 0.00 61.69 59.20 3dwk s THR 613 Cb -0.07 -2.57 0.38 0.00 1.34 0.00 0.00 72.50 71.58 3dwk s THR 613 CO -0.07 0.00 2.01 -0.65 -0.54 0.00 0.00 174.62 175.37 3dwk h PRO 614 N 1.00 0.00 0.00 3.99 0.11 -1.82 -3.27 132.00 132.01 3dwk h PRO 614 Ca -0.40 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.71 3dwk h PRO 614 Cb 1.28 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.39 3dwk h PRO 614 CO 0.61 0.00 -0.47 0.94 -0.21 0.00 0.00 178.00 178.87 3dwk n GLN 615 N -4.07 0.39 -4.62 1.05 7.27 -1.26 -4.37 117.38 111.77 3dwk n GLN 615 Ca 0.07 0.46 -0.31 0.00 0.07 0.00 0.00 57.00 57.29 3dwk n GLN 615 Cb 0.52 -1.54 -0.12 0.00 2.41 0.00 0.00 30.24 31.51 3dwk n GLN 615 CO 0.00 0.00 0.00 0.71 0.07 0.00 0.00 177.06 177.84 3dwk s TYR 616 N -2.12 2.66 -0.12 3.69 4.12 -1.24 -0.25 117.35 124.09 3dwk s TYR 616 Ca -0.14 -0.19 -0.02 0.00 0.02 0.00 0.00 57.07 56.74 3dwk s TYR 616 Cb 0.02 -1.51 -0.03 0.00 -1.52 0.00 0.00 41.96 38.92 3dwk s TYR 616 CO 0.20 0.28 -0.06 0.99 0.02 0.00 0.00 175.55 176.98 3dwk s THR 617 N -0.94 3.72 -0.06 -0.71 2.01 -0.66 0.21 115.64 119.21 3dwk s THR 617 Ca 0.15 -0.44 0.03 0.00 0.31 0.00 0.00 61.69 61.74 3dwk s THR 617 Cb -0.11 -2.59 0.01 0.00 0.01 0.00 0.00 72.50 69.82 3dwk s THR 617 CO 0.06 0.53 -0.14 -0.32 -0.69 0.00 0.00 174.62 174.06 3dwk s MET 618 N -0.03 1.74 -0.12 4.92 0.00 0.11 -0.78 119.30 125.16 3dwk s MET 618 Ca 0.00 -0.47 0.02 0.00 0.00 0.00 0.00 55.69 55.24 3dwk s MET 618 Cb -0.13 -1.45 0.01 0.00 0.00 0.00 0.00 34.83 33.26 3dwk s MET 618 CO 0.03 0.08 -0.16 0.45 0.00 0.00 0.00 175.02 175.42 3dwk s SER 619 N 0.49 2.54 -0.10 1.11 0.15 -0.21 -0.91 113.70 116.78 3dwk s SER 619 Ca -0.12 -0.45 0.04 0.00 0.70 0.00 0.00 55.95 56.11 3dwk s SER 619 Cb -0.15 -1.14 0.00 0.00 -1.71 0.00 0.00 66.02 63.02 3dwk s SER 619 CO 0.04 0.02 -0.24 -0.69 1.20 0.00 0.00 173.24 173.56 3dwk s VAL 620 N 1.00 2.06 0.13 4.45 1.01 0.04 -1.42 120.40 127.67 3dwk s VAL 620 Ca -0.06 -1.02 0.11 0.00 0.00 0.00 0.00 61.98 61.01 3dwk s VAL 620 Cb -0.15 -1.78 -0.04 0.00 0.00 0.00 0.00 36.38 34.41 3dwk s VAL 620 CO -0.02 0.56 -0.25 0.86 0.00 0.00 0.00 175.10 176.24 3dwk s TRP 621 N 0.35 2.35 -0.05 5.22 -0.00 -0.24 -1.20 118.94 125.38 3dwk s TRP 621 Ca -0.19 -0.36 -0.05 0.00 -0.00 0.00 0.00 56.10 55.51 3dwk s TRP 621 Cb -0.18 -1.27 0.01 0.00 -0.00 0.00 0.00 33.47 32.04 3dwk s TRP 621 CO 0.09 0.35 0.13 -1.64 -0.00 0.00 0.00 176.95 175.88 3dwk s MET 622 N -2.07 0.16 0.33 5.86 -1.94 0.07 -1.47 119.30 120.24 3dwk s MET 622 Ca 0.15 0.19 -0.11 0.00 -1.71 0.00 0.00 55.69 54.20 3dwk s MET 622 Cb -0.10 0.07 0.04 0.00 2.01 0.00 0.00 34.83 36.86 3dwk s MET 622 CO 0.07 -0.02 0.64 0.41 -0.01 0.00 0.00 175.02 176.10 3dwk n GLY 623 N 3.01 1.30 3.48 -0.03 0.00 -0.97 -1.44 105.19 110.54 3dwk n GLY 623 Ca -0.12 -1.28 -0.32 0.00 0.00 0.00 0.00 46.02 44.30 3dwk n GLY 623 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 3dwk s PHE 624 N -3.17 2.66 0.50 1.61 0.40 -1.26 0.15 117.98 118.87 3dwk s PHE 624 Ca 0.15 -0.19 0.16 0.00 -0.60 0.00 0.00 56.93 56.46 3dwk s PHE 624 Cb -0.04 -1.56 1.20 0.00 0.51 0.00 0.00 43.02 43.13 3dwk s PHE 624 CO 0.11 0.22 2.10 0.66 0.70 0.00 0.00 175.22 179.02 3dwk h SER 625 N 4.96 0.00 -3.29 1.36 4.64 -1.45 -3.42 113.55 116.36 3dwk h SER 625 Ca -0.47 0.00 -0.19 0.00 -0.47 0.00 0.00 61.79 60.66 3dwk h SER 625 Cb 1.15 0.00 -0.30 0.00 -0.31 0.00 0.00 62.40 62.94 3dwk h SER 625 CO 0.50 0.06 -0.48 -0.75 -0.87 0.00 0.00 176.83 175.29 3dwk s LYS 626 N -4.90 0.21 -0.12 4.77 2.36 -1.26 -5.11 119.74 115.67 3dwk s LYS 626 Ca -0.05 0.57 -0.29 0.00 -2.55 0.00 0.00 55.97 53.65 3dwk s LYS 626 Cb 0.16 -0.11 -0.04 0.00 -1.05 0.00 0.00 37.83 36.79 3dwk s LYS 626 CO 0.67 -0.18 1.67 0.54 1.55 0.00 0.00 175.35 179.61 3dwk s VAL 627 N 1.41 3.59 0.54 4.02 0.11 -1.26 -4.73 120.40 124.07 3dwk s VAL 627 Ca -0.08 0.69 0.09 0.00 -2.93 0.00 0.00 61.98 59.75 3dwk s VAL 627 Cb -0.10 -3.52 0.06 0.00 -1.53 0.00 0.00 36.38 31.29 3dwk s VAL 627 CO -0.09 -0.14 0.69 -0.54 -3.33 0.00 0.00 175.10 171.69 3dwk s LYS 628 N 4.41 2.41 0.30 1.54 1.02 -1.26 -5.00 119.74 123.16 3dwk s LYS 628 Ca 0.74 -1.60 -0.27 0.00 0.02 0.00 0.00 55.97 54.86 3dwk s LYS 628 Cb -0.30 -2.60 -0.10 0.00 -0.52 0.00 0.00 37.83 34.31 3dwk s LYS 628 CO 0.30 -0.70 0.95 -1.14 -0.92 0.00 0.00 175.35 173.84 3dwk s GLN 629 N -4.55 4.64 0.00 1.68 2.00 -1.26 -3.93 119.66 118.24 3dwk s GLN 629 Ca 0.57 1.39 0.00 0.00 -2.00 0.00 0.00 55.36 55.32 3dwk s GLN 629 Cb -0.06 -2.92 0.00 0.00 0.80 0.00 0.00 33.01 30.83 3dwk s GLN 629 CO 0.36 0.32 0.00 0.66 -0.50 0.00 0.00 175.29 176.13 3dwk n TYR 630 N 0.78 0.00 -0.19 1.67 4.02 0.67 -2.99 117.16 121.13 3dwk n TYR 630 Ca 0.01 0.00 0.00 0.00 -0.01 0.00 0.00 57.90 57.90 3dwk n TYR 630 Cb 0.49 -0.61 0.00 0.00 -0.02 0.00 0.00 39.34 39.20 3dwk n TYR 630 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 3dwk n GLY 631 N -1.80 0.90 0.23 2.72 0.00 -1.25 -4.52 105.19 101.46 3dwk n GLY 631 Ca 0.00 -0.05 0.06 0.00 0.00 0.00 0.00 46.02 46.03 3dwk n GLY 631 CO 0.00 0.00 0.00 -2.09 0.00 0.00 0.00 173.32 171.23 3dwk h GLU 632 N 2.59 0.00 -1.51 1.61 4.81 -1.75 -2.44 114.58 117.90 3dwk h GLU 632 Ca 0.00 0.00 -0.62 0.00 -0.13 0.00 0.00 59.36 58.61 3dwk h GLU 632 Cb 0.00 0.00 -0.39 0.00 0.63 0.00 0.00 28.75 28.99 3dwk h GLU 632 CO 0.00 0.16 -0.38 0.09 -0.73 0.00 0.00 179.01 178.14 3dwk n ASN 633 N -4.31 5.31 -4.14 1.04 4.13 -1.26 -4.96 115.26 111.07 3dwk n ASN 633 Ca -0.02 -3.75 -0.10 0.00 1.68 0.00 0.00 54.58 52.39 3dwk n ASN 633 Cb 0.23 -0.57 -0.10 0.00 -1.54 0.00 0.00 39.78 37.80 3dwk n ASN 633 CO 0.00 0.00 0.00 -0.44 0.28 0.00 0.00 177.26 177.10 3dwk s SER 634 N -3.07 0.30 -0.25 6.41 0.01 -0.92 -4.51 113.70 111.66 3dwk s SER 634 Ca 0.49 -1.18 -0.16 0.00 1.31 0.00 0.00 55.95 56.42 3dwk s SER 634 Cb 0.41 0.30 -0.03 0.00 0.21 0.00 0.00 66.02 66.91 3dwk s SER 634 CO -0.20 -0.74 0.41 -0.36 0.41 0.00 0.00 173.24 172.77 3dwk s PHE 635 N -4.04 3.27 -0.30 2.43 0.40 0.02 -4.88 117.98 114.88 3dwk s PHE 635 Ca 0.23 0.51 -0.02 0.00 -0.60 0.00 0.00 56.93 57.05 3dwk s PHE 635 Cb 0.07 -2.60 0.05 0.00 0.51 0.00 0.00 43.02 41.05 3dwk s PHE 635 CO 0.01 -0.20 -0.00 0.08 0.70 0.00 0.00 175.22 175.81 3dwk s VAL 636 N 2.00 2.97 0.00 -0.44 1.01 -1.25 0.44 120.40 125.12 3dwk s VAL 636 Ca 0.17 -1.41 0.00 0.00 0.00 0.00 0.00 61.98 60.75 3dwk s VAL 636 Cb -0.16 -2.71 0.00 0.00 0.00 0.00 0.00 36.38 33.51 3dwk s VAL 636 CO 0.09 -0.12 0.00 0.61 0.00 0.00 0.00 175.10 175.69 3dwk n GLY 637 N 4.61 -1.83 0.33 4.51 0.00 -0.48 -3.76 105.19 108.58 3dwk n GLY 637 Ca -0.13 -1.43 0.13 0.00 0.00 0.00 0.00 46.02 44.58 3dwk n GLY 637 CO 0.00 0.00 0.00 0.84 0.00 0.00 0.00 173.32 174.16 3dwk h HIS 638 N 0.00 0.02 -0.90 1.61 2.76 -1.95 0.97 115.15 117.65 3dwk h HIS 638 Ca 0.00 0.07 0.22 0.00 -2.20 0.00 0.00 60.37 58.45 3dwk h HIS 638 Cb 0.00 0.14 -0.17 0.00 1.55 0.00 0.00 27.41 28.94 3dwk h HIS 638 CO 0.00 -0.37 -0.05 1.03 -1.30 0.00 0.00 177.93 177.24 3dwk h SER 639 N 0.06 -0.54 0.24 3.26 0.87 -2.00 -0.74 113.55 114.69 3dwk h SER 639 Ca 0.56 0.25 -0.34 0.00 -1.23 0.00 0.00 61.79 61.03 3dwk h SER 639 Cb 1.13 0.47 -0.02 0.00 -0.44 0.00 0.00 62.40 63.54 3dwk h SER 639 CO -0.84 -0.29 -1.87 1.56 -0.53 0.00 0.00 176.83 174.86 3dwk h GLN 640 N 0.04 0.22 0.00 2.24 4.20 -0.93 -3.32 115.11 117.56 3dwk h GLN 640 Ca 0.50 -0.37 0.00 0.00 0.06 0.00 0.00 58.65 58.83 3dwk h GLN 640 Cb 0.92 0.14 0.00 0.00 0.30 0.00 0.00 27.48 28.84 3dwk h GLN 640 CO -0.85 1.06 0.00 1.04 -0.67 0.00 0.00 178.83 179.41 3dwk n GLN 641 N -3.39 0.11 0.00 1.46 6.02 -0.76 -2.32 117.38 118.50 3dwk n GLN 641 Ca -0.27 0.22 0.14 0.00 -0.01 0.00 0.00 57.00 57.08 3dwk n GLN 641 Cb 1.05 -1.50 0.58 0.00 1.02 0.00 0.00 30.24 31.40 3dwk n GLN 641 CO 0.00 0.00 0.00 -1.91 -1.01 0.00 0.00 177.06 174.14 3dwk n GLU 642 N -1.37 0.40 -0.03 -1.09 2.13 -0.31 -4.43 120.64 115.93 3dwk n GLU 642 Ca 0.05 -0.11 -0.08 0.00 0.66 0.00 0.00 57.16 57.67 3dwk n GLU 642 Cb 0.12 -1.50 -0.02 0.00 0.27 0.00 0.00 31.44 30.31 3dwk n GLU 642 CO 0.00 0.00 0.00 1.88 -0.41 0.00 0.00 177.13 178.60 3dwk h TYR 643 N 0.27 -0.48 -0.00 4.31 0.99 -1.68 -1.03 116.97 119.36 3dwk h TYR 643 Ca 0.00 0.03 0.00 0.00 2.00 0.00 0.00 58.73 60.76 3dwk h TYR 643 Cb 0.40 0.24 -0.00 0.00 1.00 0.00 0.00 36.73 38.37 3dwk h TYR 643 CO 0.00 -0.26 0.00 -1.00 -0.00 0.00 0.00 178.16 176.90 3dwk h PRO 644 N -0.20 0.00 0.00 4.88 0.13 -1.87 0.79 132.00 135.74 3dwk h PRO 644 Ca 0.12 0.00 -0.04 0.00 -0.87 0.00 0.00 66.00 65.21 3dwk h PRO 644 Cb 0.38 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 31.51 3dwk h PRO 644 CO -0.32 0.00 -0.19 1.96 -0.23 0.00 0.00 178.00 179.21 3dwk h GLN 645 N 0.00 0.00 -0.22 0.86 4.20 -1.49 -1.14 115.11 117.31 3dwk h GLN 645 Ca 0.00 0.00 -0.19 0.00 0.06 0.00 0.00 58.65 58.52 3dwk h GLN 645 Cb 0.01 0.00 0.00 0.00 0.30 0.00 0.00 27.48 27.79 3dwk h GLN 645 CO -0.00 0.19 -0.61 0.74 -0.67 0.00 0.00 178.83 178.48 3dwk h PHE 646 N 0.00 1.04 -0.05 2.96 -1.00 -0.88 -1.29 116.94 117.73 3dwk h PHE 646 Ca -0.00 -0.41 -0.00 0.00 2.81 0.00 0.00 57.97 60.36 3dwk h PHE 646 Cb 0.70 -0.18 -0.00 0.00 3.61 0.00 0.00 35.95 40.08 3dwk h PHE 646 CO 0.00 1.23 0.02 1.25 -1.61 0.00 0.00 178.31 179.20 3dwk h LEU 647 N 0.55 0.07 0.02 1.54 5.85 -1.42 -1.87 115.31 120.05 3dwk h LEU 647 Ca -0.01 -0.18 0.03 0.00 0.84 0.00 0.00 57.88 58.56 3dwk h LEU 647 Cb 1.23 -0.02 -0.05 0.00 0.37 0.00 0.00 40.66 42.20 3dwk h LEU 647 CO 0.13 0.23 -0.33 0.22 -0.34 0.00 0.00 178.44 178.35 3dwk h TYR 648 N -0.09 -0.90 -0.14 1.25 3.20 -1.26 -2.00 116.97 117.04 3dwk h TYR 648 Ca 0.02 0.03 0.01 0.00 3.14 0.00 0.00 58.73 61.93 3dwk h TYR 648 Cb 0.18 0.40 -0.02 0.00 1.54 0.00 0.00 36.73 38.83 3dwk h TYR 648 CO -0.01 -0.42 0.03 1.49 -1.64 0.00 0.00 178.16 177.61 3dwk h GLU 649 N -0.49 0.09 0.01 1.82 4.81 -1.21 0.74 114.58 120.36 3dwk h GLU 649 Ca 0.06 -0.01 0.03 0.00 -0.13 0.00 0.00 59.36 59.31 3dwk h GLU 649 Cb 0.57 -0.02 -0.05 0.00 0.63 0.00 0.00 28.75 29.88 3dwk h GLU 649 CO -0.26 0.06 -0.33 -0.91 -0.73 0.00 0.00 179.01 176.85 3dwk h ASN 650 N 0.09 -0.97 0.15 1.04 2.35 -1.24 -0.70 115.58 116.31 3dwk h ASN 650 Ca 0.06 0.12 -0.01 0.00 -0.55 0.00 0.00 56.30 55.93 3dwk h ASN 650 Cb 0.04 0.39 0.00 0.00 0.05 0.00 0.00 38.32 38.80 3dwk h ASN 650 CO -0.07 -0.39 -0.07 0.58 -1.65 0.00 0.00 177.43 175.83 3dwk h VAL 651 N -0.48 0.99 -0.53 2.81 2.07 -1.24 -2.27 116.25 117.60 3dwk h VAL 651 Ca 0.06 -0.86 0.13 0.00 0.82 0.00 0.00 66.70 66.85 3dwk h VAL 651 Cb 0.57 1.50 -0.03 0.00 -1.52 0.00 0.00 31.29 31.81 3dwk h VAL 651 CO -0.26 0.19 0.37 0.24 0.02 0.00 0.00 177.57 178.13 3dwk h MET 652 N -0.63 0.14 -0.15 1.57 2.86 -0.87 -0.64 114.93 117.20 3dwk h MET 652 Ca -0.02 -0.01 -0.18 0.00 -2.06 0.00 0.00 59.70 57.43 3dwk h MET 652 Cb 0.47 -0.03 0.01 0.00 0.06 0.00 0.00 31.60 32.11 3dwk h MET 652 CO 0.03 0.09 -0.60 1.03 1.06 0.00 0.00 176.91 178.53 3dwk h SER 653 N 0.14 0.79 -0.33 1.22 0.87 -1.01 -1.12 113.55 114.10 3dwk h SER 653 Ca 0.25 -0.62 -0.14 0.00 -1.23 0.00 0.00 61.79 60.05 3dwk h SER 653 Cb 0.81 -0.23 -0.01 0.00 -0.44 0.00 0.00 62.40 62.52 3dwk h SER 653 CO -0.03 1.27 -0.32 0.11 -0.53 0.00 0.00 176.83 177.33 3dwk h LYS 654 N 0.35 0.86 0.00 2.24 1.57 -0.62 -3.35 116.57 117.62 3dwk h LYS 654 Ca -0.03 -0.41 -0.11 0.00 -1.87 0.00 0.00 60.65 58.23 3dwk h LYS 654 Cb 1.23 -0.01 -0.02 0.00 0.08 0.00 0.00 32.23 33.51 3dwk h LYS 654 CO 0.13 1.05 -1.91 0.44 -0.57 0.00 0.00 179.45 178.58 3dwk n ILE 655 N -4.07 0.56 -2.43 1.86 -5.35 -0.37 -4.93 119.36 104.63 3dwk n ILE 655 Ca -0.01 -0.62 -0.40 0.00 -0.27 0.00 0.00 62.75 61.45 3dwk n ILE 655 Cb 0.50 -0.24 -0.04 0.00 -1.74 0.00 0.00 39.64 38.12 3dwk n ILE 655 CO 0.00 0.00 0.00 -0.44 -1.76 0.00 0.00 176.55 174.35 3dwk s SER 656 N -5.01 7.20 0.02 7.28 0.01 -0.42 -5.01 113.70 117.77 3dwk s SER 656 Ca -0.07 2.29 -0.19 0.00 1.31 0.00 0.00 55.95 59.29 3dwk s SER 656 Cb 0.11 -2.62 -0.06 0.00 0.21 0.00 0.00 66.02 63.66 3dwk s SER 656 CO 0.87 -0.22 0.56 -0.94 0.41 0.00 0.00 173.24 173.92 3dwk s SER 657 N -0.65 6.98 -1.23 2.44 1.04 -1.26 -4.93 113.70 116.09 3dwk s SER 657 Ca 0.46 1.17 -0.07 0.00 0.48 0.00 0.00 55.95 57.98 3dwk s SER 657 Cb -0.33 -2.35 0.20 0.00 0.10 0.00 0.00 66.02 63.65 3dwk s SER 657 CO 0.41 0.19 1.84 0.54 0.98 0.00 0.00 173.24 177.21 3dwk n ARG 658 N 2.27 3.99 0.00 4.02 3.00 -1.26 -4.51 116.66 124.17 3dwk n ARG 658 Ca -0.09 -3.79 0.09 0.00 -0.01 0.00 0.00 57.85 54.05 3dwk n ARG 658 Cb 0.51 -2.78 0.06 0.00 0.00 0.00 0.00 32.46 30.25 3dwk n ARG 658 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 177.63 177.23 3dwk n ASP 659 N 2.91 2.40 -0.38 0.55 5.68 -1.26 -4.98 116.55 121.47 3dwk n ASP 659 Ca 0.39 -1.70 -0.05 0.00 -0.50 0.00 0.00 54.79 52.93 3dwk n ASP 659 Cb 0.34 0.08 -0.02 0.00 -1.14 0.00 0.00 41.12 40.38 3dwk n ASP 659 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 3dwk n GLY 660 N 1.08 0.76 3.75 6.12 0.00 -1.26 -5.00 105.19 110.63 3dwk n GLY 660 Ca 0.10 -0.66 -0.39 0.00 0.00 0.00 0.00 46.02 45.08 3dwk n GLY 660 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 3dwk s GLU 661 N -2.19 3.19 0.28 1.61 2.12 -1.26 -4.96 118.70 117.49 3dwk s GLU 661 Ca 0.00 2.26 0.03 0.00 0.36 0.00 0.00 54.97 57.62 3dwk s GLU 661 Cb 0.00 -2.29 -0.06 0.00 0.26 0.00 0.00 34.13 32.04 3dwk s GLU 661 CO 0.00 -1.16 0.04 0.34 -0.54 0.00 0.00 175.26 173.94 3dwk s ASP 662 N -0.91 1.98 0.19 -1.70 3.68 -1.26 -4.37 116.67 114.28 3dwk s ASP 662 Ca 0.71 -1.32 -0.30 0.00 2.13 0.00 0.00 52.55 53.76 3dwk s ASP 662 Cb -0.41 -0.01 -0.09 0.00 -1.45 0.00 0.00 42.92 40.97 3dwk s ASP 662 CO 0.49 -0.59 1.31 -0.36 0.13 0.00 0.00 175.17 176.14 3dwk s PHE 663 N -3.42 3.27 0.13 -5.34 0.08 -1.26 -4.89 117.98 106.55 3dwk s PHE 663 Ca 0.34 1.21 -0.30 0.00 0.12 0.00 0.00 56.93 58.30 3dwk s PHE 663 Cb 0.07 -3.60 -0.07 0.00 -0.57 0.00 0.00 43.02 38.86 3dwk s PHE 663 CO 0.13 -1.87 1.18 -1.59 -0.10 0.00 0.00 175.22 172.97 3dwk s LYS 664 N -0.00 4.48 -0.30 0.44 -2.85 -1.26 -4.99 119.74 115.26 3dwk s LYS 664 Ca 0.57 1.80 -0.22 0.00 -1.00 0.00 0.00 55.97 57.12 3dwk s LYS 664 Cb -0.36 -3.29 -0.01 0.00 -2.06 0.00 0.00 37.83 32.11 3dwk s LYS 664 CO 0.37 -0.14 0.71 0.50 0.10 0.00 0.00 175.35 176.90 3dwk s ARG 665 N 0.33 3.97 0.80 1.78 3.52 -1.26 -4.87 118.95 123.22 3dwk s ARG 665 Ca 0.55 0.50 -0.11 0.00 -0.13 0.00 0.00 55.73 56.54 3dwk s ARG 665 Cb -0.31 -3.71 0.07 0.00 -1.56 0.00 0.00 34.95 29.44 3dwk s ARG 665 CO 0.33 -0.60 1.09 -1.25 -0.81 0.00 0.00 175.30 174.06 3dwk s PRO 666 N 2.77 2.07 -0.01 5.12 0.04 -1.26 -4.90 135.00 138.82 3dwk s PRO 666 Ca 0.29 1.09 0.04 0.00 0.04 0.00 0.00 61.00 62.46 3dwk s PRO 666 Cb -0.15 -1.88 0.12 0.00 0.04 0.00 0.00 34.50 32.63 3dwk s PRO 666 CO 0.11 -1.76 1.04 -1.13 0.04 0.00 0.00 177.00 175.31 3dwk n SER 667 N -3.59 0.88 -0.52 6.66 3.41 -1.26 -3.43 113.62 115.78 3dwk n SER 667 Ca 0.09 -2.03 0.09 0.00 -0.26 0.00 0.00 58.87 56.76 3dwk n SER 667 Cb 0.53 -0.16 0.02 0.00 -0.26 0.00 0.00 64.21 64.35 3dwk n SER 667 CO 0.00 0.00 0.00 -1.54 -0.16 0.00 0.00 175.04 173.34 3dwk n SER 668 N -0.08 2.02 -4.60 4.04 3.41 -1.26 -4.92 113.62 112.22 3dwk n SER 668 Ca 0.04 -1.51 -0.33 0.00 -0.26 0.00 0.00 58.87 56.82 3dwk n SER 668 Cb 0.16 0.34 -0.10 0.00 -0.26 0.00 0.00 64.21 64.34 3dwk n SER 668 CO 0.00 0.00 0.00 0.68 -0.16 0.00 0.00 175.04 175.56 3dwk s VAL 669 N -1.96 3.74 -0.08 -3.33 -7.23 -1.22 -1.18 120.40 109.14 3dwk s VAL 669 Ca 0.17 -0.64 0.02 0.00 -1.81 0.00 0.00 61.98 59.73 3dwk s VAL 669 Cb 0.15 -2.60 0.01 0.00 0.56 0.00 0.00 36.38 34.51 3dwk s VAL 669 CO 0.40 0.47 -0.14 -0.55 -0.31 0.00 0.00 175.10 174.97 3dwk s SER 670 N -1.21 2.14 0.00 4.85 0.15 0.06 -4.75 113.70 114.94 3dwk s SER 670 Ca 0.16 -0.37 0.00 0.00 0.70 0.00 0.00 55.95 56.44 3dwk s SER 670 Cb -0.11 -0.97 0.00 0.00 -1.71 0.00 0.00 66.02 63.23 3dwk s SER 670 CO 0.06 0.04 0.00 0.61 1.20 0.00 0.00 173.24 175.15 3dwk n GLY 671 N 3.91 -1.37 2.97 9.45 0.00 -1.26 -0.48 105.19 118.40 3dwk n GLY 671 Ca -0.21 -2.19 -0.11 0.00 0.00 0.00 0.00 46.02 43.50 3dwk n GLY 671 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 3dwk s SER 672 N -2.15 0.36 0.29 1.61 0.15 -1.19 -4.75 113.70 108.03 3dwk s SER 672 Ca 0.00 -0.34 -0.30 0.00 0.70 0.00 0.00 55.95 56.01 3dwk s SER 672 Cb 0.00 0.04 -0.13 0.00 -1.71 0.00 0.00 66.02 64.22 3dwk s SER 672 CO 0.00 -0.16 1.31 -0.38 1.20 0.00 0.00 173.24 175.21 3dwk n ILE 673 N 2.09 1.49 0.24 6.45 2.08 -1.26 0.02 119.36 130.47 3dwk n ILE 673 Ca -0.20 -0.37 -0.01 0.00 0.56 0.00 0.00 62.75 62.73 3dwk n ILE 673 Cb 0.56 -1.45 0.12 0.00 -0.75 0.00 0.00 39.64 38.12 3dwk n ILE 673 CO 0.00 0.00 0.00 -0.81 0.56 0.00 0.00 176.55 176.30 3dwk n PRO 674 N 1.27 2.13 -2.85 0.38 -0.04 -1.26 -4.97 135.00 129.66 3dwk n PRO 674 Ca 0.09 -1.17 -0.25 0.00 -0.04 0.00 0.00 63.50 62.13 3dwk n PRO 674 Cb 0.33 -1.67 -0.03 0.00 -0.04 0.00 0.00 33.50 32.10 3dwk n PRO 674 CO 0.00 0.00 0.00 0.43 -0.04 0.00 0.00 175.50 175.89 3dwk n SER 675 N 0.11 3.87 -4.77 3.54 7.64 0.10 -2.16 113.62 121.95 3dwk n SER 675 Ca 0.15 -3.55 -0.36 0.00 1.01 0.00 0.00 58.87 56.11 3dwk n SER 675 Cb 0.73 -0.54 -0.07 0.00 -1.01 0.00 0.00 64.21 63.31 3dwk n SER 675 CO 0.00 0.00 0.00 -0.63 -3.01 0.00 0.00 175.04 171.40 3dwk s ILE 676 N -4.37 5.33 0.35 0.44 1.01 -1.24 -3.14 121.20 119.57 3dwk s ILE 676 Ca 0.46 0.45 0.04 0.00 0.00 0.00 0.00 60.65 61.60 3dwk s ILE 676 Cb 0.33 -3.56 -0.06 0.00 0.01 0.00 0.00 42.46 39.17 3dwk s ILE 676 CO -0.13 0.47 0.06 0.54 0.00 0.00 0.00 174.94 175.87 3dwk s ASN 677 N -0.02 2.57 -0.14 3.58 2.20 0.36 -0.36 114.94 123.13 3dwk s ASN 677 Ca 0.15 -1.42 -0.24 0.00 -0.94 0.00 0.00 52.86 50.42 3dwk s ASN 677 Cb -0.13 -0.02 -0.03 0.00 -2.00 0.00 0.00 41.25 39.08 3dwk s ASN 677 CO 0.04 -0.64 0.74 -0.69 -2.94 0.00 0.00 177.10 173.60 3dwk s VAL 678 N -3.24 4.97 0.20 3.54 1.01 -1.26 -0.76 120.40 124.86 3dwk s VAL 678 Ca 0.34 1.47 -0.32 0.00 0.00 0.00 0.00 61.98 63.47 3dwk s VAL 678 Cb 0.08 -4.06 -0.15 0.00 0.00 0.00 0.00 36.38 32.25 3dwk s VAL 678 CO 0.15 0.13 1.21 -1.20 0.00 0.00 0.00 175.10 175.39 3dwk n SER 679 N 4.64 1.70 -2.73 3.32 7.64 -0.32 -1.22 113.62 126.65 3dwk n SER 679 Ca 0.01 1.15 -0.22 0.00 1.01 0.00 0.00 58.87 60.82 3dwk n SER 679 Cb 0.50 -1.28 0.01 0.00 -1.01 0.00 0.00 64.21 62.43 3dwk n SER 679 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 3dwk n GLY 680 N 1.96 -0.51 2.70 0.23 0.00 -1.26 -4.85 105.19 103.45 3dwk n GLY 680 Ca 0.13 0.07 -0.07 0.00 0.00 0.00 0.00 46.02 46.16 3dwk n GLY 680 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 3dwk n SER 681 N -2.29 -1.89 -4.65 1.61 2.88 -0.36 -5.16 113.62 103.76 3dwk n SER 681 Ca -0.18 -2.83 -0.29 0.00 -1.33 0.00 0.00 58.87 54.24 3dwk n SER 681 Cb 0.65 1.47 0.18 0.00 -0.75 0.00 0.00 64.21 65.76 3dwk n SER 681 CO 0.00 0.00 0.00 -1.10 -1.23 0.00 0.00 175.04 172.71 3dwk s GLN 682 N 0.18 0.52 -0.26 -1.46 -0.21 -1.25 -4.30 119.66 112.88 3dwk s GLN 682 Ca 0.20 0.82 -0.16 0.00 0.02 0.00 0.00 55.36 56.25 3dwk s GLN 682 Cb 0.29 -1.72 -0.04 0.00 1.00 0.00 0.00 33.01 32.55 3dwk s GLN 682 CO -0.09 -2.75 0.40 0.34 -2.12 0.00 0.00 175.29 171.08 3dwk s ASP 683 N -3.14 6.31 0.25 5.90 -1.08 -1.26 -4.95 116.67 118.69 3dwk s ASP 683 Ca 0.65 0.36 -0.07 0.00 -0.52 0.00 0.00 52.55 52.98 3dwk s ASP 683 Cb -0.20 -2.23 0.45 0.00 -1.46 0.00 0.00 42.92 39.48 3dwk s ASP 683 CO 0.59 -0.19 1.63 -1.13 0.52 0.00 0.00 175.17 176.59 3dwk h ASN 684 N 8.04 -0.38 -3.71 -0.34 -1.24 -1.96 -3.40 115.58 112.58 3dwk h ASN 684 Ca -0.32 0.20 -0.68 0.00 0.71 0.00 0.00 56.30 56.22 3dwk h ASN 684 Cb 1.16 0.36 -0.34 0.00 0.73 0.00 0.00 38.32 40.23 3dwk h ASN 684 CO 0.67 -0.20 -0.68 0.21 -1.29 0.00 0.00 177.43 176.14 3dwk s ASN 685 N -5.18 4.93 0.30 1.15 2.47 -1.26 -5.08 114.94 112.27 3dwk s ASN 685 Ca -0.13 -1.51 0.01 0.00 0.42 0.00 0.00 52.86 51.64 3dwk s ASN 685 Cb 0.23 -1.72 -0.02 0.00 -1.45 0.00 0.00 41.25 38.29 3dwk s ASN 685 CO 0.76 -0.33 0.32 0.42 -3.72 0.00 0.00 177.10 174.55 3dwk s THR 686 N 1.19 0.00 0.03 -5.21 -4.23 -1.26 -2.32 115.64 103.84 3dwk s THR 686 Ca -0.01 -1.84 -0.15 0.00 -1.18 0.00 0.00 61.69 58.51 3dwk s THR 686 Cb -0.20 -2.52 0.02 0.00 1.34 0.00 0.00 72.50 71.14 3dwk s THR 686 CO -0.03 0.00 0.34 0.42 -0.54 0.00 0.00 174.62 174.81 3dwk s THR 687 N -3.52 0.07 -1.40 3.99 -4.23 -0.78 -4.58 115.64 105.19 3dwk s THR 687 Ca 0.36 -0.58 0.16 0.00 -1.18 0.00 0.00 61.69 60.45 3dwk s THR 687 Cb 0.02 -0.88 0.45 0.00 1.34 0.00 0.00 72.50 73.43 3dwk s THR 687 CO 0.21 -0.32 1.37 0.59 -0.54 0.00 0.00 174.62 175.93 3dwk n ASN 688 N 0.69 3.35 -4.69 3.99 4.13 -1.26 -4.85 115.26 116.62 3dwk n ASN 688 Ca -0.19 -1.99 -0.42 0.00 1.68 0.00 0.00 54.58 53.66 3dwk n ASN 688 Cb 0.59 -0.34 -0.03 0.00 -1.54 0.00 0.00 39.78 38.46 3dwk n ASN 688 CO 0.00 0.00 0.00 -0.60 0.28 0.00 0.00 177.26 176.94 3dwk s ARG 689 N -1.01 4.26 0.62 3.52 3.52 -1.26 -5.03 118.95 123.57 3dwk s ARG 689 Ca 0.34 2.10 0.02 0.00 -0.13 0.00 0.00 55.73 58.06 3dwk s ARG 689 Cb 0.18 -3.51 0.08 0.00 -1.56 0.00 0.00 34.95 30.14 3dwk s ARG 689 CO 0.23 -0.59 0.86 -1.12 -0.81 0.00 0.00 175.30 173.87 3dwk s SER 690 N 1.86 4.88 0.00 -2.12 0.01 -1.26 -4.20 113.70 112.86 3dwk s SER 690 Ca 0.67 -0.28 0.00 0.00 1.31 0.00 0.00 55.95 57.65 3dwk s SER 690 Cb -0.35 -0.37 0.00 0.00 0.21 0.00 0.00 66.02 65.51 3dwk s SER 690 CO 0.29 -1.45 0.00 0.41 0.41 0.00 0.00 173.24 172.90 3dwk n THR 691 N -2.52 0.00 0.35 1.44 -1.04 -1.26 -4.98 114.28 106.27 3dwk n THR 691 Ca 0.12 0.00 0.04 0.00 -2.04 0.00 0.00 64.05 62.17 3dwk n THR 691 Cb 0.60 -0.03 0.03 0.00 -1.82 0.00 0.00 70.33 69.12 3dwk n THR 691 CO 0.00 0.00 0.00 1.41 -0.64 0.00 0.00 175.07 175.84