#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1d2k s GLY 37 N 0.00 2.65 0.46 -0.02 0.00 -1.26 -4.96 107.32 104.18 1d2k s GLY 37 Ca 0.00 -1.13 -0.20 0.00 0.00 0.00 0.00 44.72 43.40 1d2k s GLY 37 CO 0.00 -2.05 0.97 -1.36 0.00 0.00 0.00 173.10 170.66 1d2k s PHE 38 N -2.78 3.31 -0.09 1.90 0.40 -0.70 -4.09 117.98 115.93 1d2k s PHE 38 Ca 0.24 1.57 -0.03 0.00 -0.60 0.00 0.00 56.93 58.11 1d2k s PHE 38 Cb 0.01 -2.86 -0.03 0.00 0.51 0.00 0.00 43.02 40.65 1d2k s PHE 38 CO 0.14 -0.25 0.03 1.03 0.70 0.00 0.00 175.22 176.87 1d2k s ARG 39 N -3.42 3.08 -0.39 0.44 0.52 0.65 0.33 118.95 120.16 1d2k s ARG 39 Ca 0.62 -0.35 0.03 0.00 -0.52 0.00 0.00 55.73 55.51 1d2k s ARG 39 Cb -0.10 -2.88 0.11 0.00 0.52 0.00 0.00 34.95 32.60 1d2k s ARG 39 CO 0.18 0.72 0.12 0.45 0.02 0.00 0.00 175.30 176.79 1d2k s SER 40 N -0.93 4.77 -0.13 0.23 0.15 -1.26 -0.86 113.70 115.67 1d2k s SER 40 Ca 0.14 -2.31 -0.03 0.00 0.70 0.00 0.00 55.95 54.44 1d2k s SER 40 Cb -0.11 -1.67 -0.03 0.00 -1.71 0.00 0.00 66.02 62.50 1d2k s SER 40 CO 0.03 -0.38 -0.01 -0.69 1.20 0.00 0.00 173.24 173.40 1d2k s VAL 41 N 0.70 4.21 0.01 4.45 1.01 0.42 -0.36 120.40 130.84 1d2k s VAL 41 Ca 0.12 -0.26 0.01 0.00 0.00 0.00 0.00 61.98 61.85 1d2k s VAL 41 Cb -0.21 -2.82 -0.01 0.00 0.00 0.00 0.00 36.38 33.34 1d2k s VAL 41 CO -0.06 0.54 -0.04 0.54 0.00 0.00 0.00 175.10 176.07 1d2k s VAL 42 N -0.19 0.30 -0.16 2.92 0.11 -0.53 -0.92 120.40 121.93 1d2k s VAL 42 Ca 0.05 -0.48 -0.17 0.00 -2.93 0.00 0.00 61.98 58.45 1d2k s VAL 42 Cb -0.13 -0.32 -0.04 0.00 -1.53 0.00 0.00 36.38 34.36 1d2k s VAL 42 CO 0.02 -0.12 0.44 -0.31 -3.33 0.00 0.00 175.10 171.80 1d2k s TYR 43 N -0.59 3.44 -0.29 1.54 1.51 -0.90 -0.86 117.35 121.20 1d2k s TYR 43 Ca -0.04 0.75 -0.07 0.00 -1.01 0.00 0.00 57.07 56.70 1d2k s TYR 43 Cb -0.05 -2.54 0.00 0.00 -0.11 0.00 0.00 41.96 39.27 1d2k s TYR 43 CO -0.00 0.08 0.08 0.12 -1.11 0.00 0.00 175.55 174.72 1d2k s PHE 44 N 0.97 3.13 -0.16 2.71 2.19 0.43 -2.01 117.98 125.24 1d2k s PHE 44 Ca 0.22 -0.87 -0.23 0.00 0.33 0.00 0.00 56.93 56.39 1d2k s PHE 44 Cb -0.15 -2.25 -0.03 0.00 -1.31 0.00 0.00 43.02 39.28 1d2k s PHE 44 CO 0.09 -0.54 0.70 0.08 1.83 0.00 0.00 175.22 177.38 1d2k s VAL 45 N 1.52 4.99 0.46 3.12 1.01 -1.26 -1.37 120.40 128.88 1d2k s VAL 45 Ca 0.03 1.36 0.14 0.00 0.00 0.00 0.00 61.98 63.51 1d2k s VAL 45 Cb -0.17 -4.01 0.21 0.00 0.00 0.00 0.00 36.38 32.40 1d2k s VAL 45 CO 0.03 0.13 2.03 -0.55 0.00 0.00 0.00 175.10 176.73 1d2k h ASN 46 N 7.24 0.05 0.44 3.32 -0.00 -1.62 -2.23 115.58 122.77 1d2k h ASN 46 Ca -0.33 -0.01 0.00 0.00 -0.00 0.00 0.00 56.30 55.96 1d2k h ASN 46 Cb 1.15 -0.01 0.00 0.00 -0.00 0.00 0.00 38.32 39.46 1d2k h ASN 46 CO 0.79 0.16 0.00 -2.67 -0.00 0.00 0.00 177.43 175.71 1d2k n TRP 47 N -4.38 0.00 0.32 4.14 2.14 -1.26 -3.43 117.44 114.97 1d2k n TRP 47 Ca -0.02 0.00 0.16 0.00 2.07 0.00 0.00 57.50 59.70 1d2k n TRP 47 Cb 0.20 -0.27 0.62 0.00 -0.81 0.00 0.00 31.31 31.05 1d2k n TRP 47 CO 0.00 0.00 0.00 0.00 2.07 0.00 0.00 177.69 179.76 1d2k h ALA 48 N 3.20 1.00 0.00 -1.67 0.00 -1.68 -2.90 119.26 117.22 1d2k h ALA 48 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 1d2k h ALA 48 Cb 0.22 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.01 1d2k h ALA 48 CO 0.00 0.00 0.00 -0.84 0.00 0.00 0.00 179.25 178.41 1d2k h ILE 49 N 0.00 0.00 0.00 0.00 3.07 -1.56 0.33 117.51 119.35 1d2k h ILE 49 Ca 0.00 -0.35 0.00 0.00 1.55 0.00 0.00 64.86 66.06 1d2k h ILE 49 Cb 0.48 1.19 0.00 0.00 -0.27 0.00 0.00 36.82 38.22 1d2k h ILE 49 CO 0.00 0.00 0.00 -1.22 -1.05 0.00 0.00 178.15 175.88 1d2k n TYR 50 N -2.56 0.00 -0.33 0.16 4.01 -1.09 -4.09 117.16 113.26 1d2k n TYR 50 Ca 0.02 0.00 0.24 0.00 -0.16 0.00 0.00 57.90 57.99 1d2k n TYR 50 Cb 0.27 0.00 0.47 0.00 -0.31 0.00 0.00 39.34 39.76 1d2k n TYR 50 CO 0.00 0.00 0.00 0.78 -0.46 0.00 0.00 176.86 177.18 1d2k h GLY 51 N 0.00 1.99 2.00 2.72 0.00 -1.82 0.28 103.07 108.25 1d2k h GLY 51 Ca 0.00 -0.18 0.00 0.00 0.00 0.00 0.00 47.33 47.15 1d2k h GLY 51 CO 0.00 -0.54 0.00 3.21 0.00 0.00 0.00 176.54 179.21 1d2k h ARG 52 N 0.24 0.00 -4.82 4.80 3.08 -1.84 -3.47 114.38 112.37 1d2k h ARG 52 Ca 0.73 0.00 -0.40 0.00 0.07 0.00 0.00 59.98 60.38 1d2k h ARG 52 Cb 1.70 0.00 0.03 0.00 0.08 0.00 0.00 29.97 31.78 1d2k h ARG 52 CO -0.66 0.00 -0.61 0.41 -1.07 0.00 0.00 179.97 178.05 1d2k n GLY 53 N 0.43 -0.52 3.32 0.04 0.00 0.99 -4.96 105.19 104.49 1d2k n GLY 53 Ca 0.02 0.13 -0.38 0.00 0.00 0.00 0.00 46.02 45.80 1d2k n GLY 53 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 173.32 171.74 1d2k s HIS 54 N -3.14 3.22 0.21 1.61 5.04 0.06 -4.97 115.29 117.33 1d2k s HIS 54 Ca 0.35 -1.18 0.07 0.00 -1.54 0.00 0.00 55.06 52.75 1d2k s HIS 54 Cb -0.16 -2.31 -0.04 0.00 0.04 0.00 0.00 32.58 30.11 1d2k s HIS 54 CO 0.43 -0.66 0.12 -0.80 -2.34 0.00 0.00 174.74 171.49 1d2k s ASN 55 N 1.47 5.27 0.39 9.88 -0.87 -1.26 -3.01 114.94 126.80 1d2k s ASN 55 Ca 0.00 -0.28 0.14 0.00 -1.57 0.00 0.00 52.86 51.15 1d2k s ASN 55 Cb -0.19 -1.28 0.97 0.00 -0.02 0.00 0.00 41.25 40.74 1d2k s ASN 55 CO 0.04 0.03 1.85 -0.65 -2.57 0.00 0.00 177.10 175.79 1d2k h PRO 56 N 2.07 0.51 0.00 -0.60 0.11 -1.97 -0.51 132.00 131.61 1d2k h PRO 56 Ca -0.47 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 65.61 1d2k h PRO 56 Cb 1.22 -0.11 0.00 0.00 0.11 0.00 0.00 31.00 32.22 1d2k h PRO 56 CO 0.61 0.34 0.00 1.04 -0.21 0.00 0.00 178.00 179.78 1d2k n GLN 57 N -4.56 0.02 0.02 1.05 3.00 -1.26 -1.32 117.38 114.33 1d2k n GLN 57 Ca 0.19 0.38 0.12 0.00 -0.01 0.00 0.00 57.00 57.69 1d2k n GLN 57 Cb 0.62 -1.54 0.32 0.00 0.00 0.00 0.00 30.24 29.65 1d2k n GLN 57 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.06 176.81 1d2k n ASP 58 N -1.57 0.47 -4.75 1.08 10.43 -0.20 -4.91 116.55 117.11 1d2k n ASP 58 Ca 0.02 0.07 -0.41 0.00 2.57 0.00 0.00 54.79 57.04 1d2k n ASP 58 Cb 0.10 -0.01 -0.03 0.00 1.84 0.00 0.00 41.12 43.01 1d2k n ASP 58 CO 0.00 0.00 0.00 -0.76 -1.07 0.00 0.00 177.20 175.37 1d2k s LEU 59 N -3.44 4.46 -1.16 0.64 1.02 -0.43 -4.94 118.68 114.82 1d2k s LEU 59 Ca 0.10 2.35 -0.15 0.00 0.02 0.00 0.00 54.13 56.45 1d2k s LEU 59 Cb 0.16 -3.62 0.15 0.00 0.02 0.00 0.00 46.19 42.90 1d2k s LEU 59 CO 0.66 -0.38 1.41 -0.54 0.02 0.00 0.00 176.35 177.53 1d2k s LYS 60 N -0.74 3.97 0.31 1.70 3.01 -1.26 -4.87 119.74 121.86 1d2k s LYS 60 Ca 0.51 -2.31 0.06 0.00 -1.01 0.00 0.00 55.97 53.22 1d2k s LYS 60 Cb -0.34 -5.10 0.86 0.00 -1.01 0.00 0.00 37.83 32.24 1d2k s LYS 60 CO 0.41 -1.84 1.61 0.00 0.51 0.00 0.00 175.35 176.04 1d2k h ALA 61 N 7.61 1.45 -0.00 5.17 0.00 -1.94 -1.74 119.26 129.81 1d2k h ALA 61 Ca 0.30 0.27 0.00 0.00 0.00 0.00 0.00 54.91 55.48 1d2k h ALA 61 Cb 0.91 0.40 -0.00 0.00 0.00 0.00 0.00 17.79 19.10 1d2k h ALA 61 CO 1.25 -0.60 0.09 0.38 0.00 0.00 0.00 179.25 180.37 1d2k h ASP 62 N 0.11 0.00 -0.12 0.00 2.03 -1.99 -1.85 116.42 114.60 1d2k h ASP 62 Ca 0.63 0.00 0.00 0.00 -0.73 0.00 0.00 57.03 56.93 1d2k h ASP 62 Cb 1.39 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 39.89 1d2k h ASP 62 CO -0.76 0.00 0.00 0.00 -1.03 0.00 0.00 179.24 177.45 1d2k n GLN 63 N -3.05 1.97 -4.39 4.15 10.64 -0.65 -4.94 117.38 121.11 1d2k n GLN 63 Ca -0.03 -1.43 -0.21 0.00 -1.83 0.00 0.00 57.00 53.51 1d2k n GLN 63 Cb 0.15 -1.46 -0.10 0.00 -0.86 0.00 0.00 30.24 27.97 1d2k n GLN 63 CO 0.00 0.00 0.00 -0.06 -1.83 0.00 0.00 177.06 175.17 1d2k s PHE 64 N -1.87 1.95 -0.00 2.61 0.40 -0.70 -4.84 117.98 115.53 1d2k s PHE 64 Ca 0.34 -0.47 0.01 0.00 -0.60 0.00 0.00 56.93 56.22 1d2k s PHE 64 Cb 0.20 -0.89 -0.02 0.00 0.51 0.00 0.00 43.02 42.82 1d2k s PHE 64 CO 0.30 0.48 0.03 0.25 0.70 0.00 0.00 175.22 176.99 1d2k n THR 65 N -0.33 0.00 -3.76 0.64 -2.24 0.52 -4.68 114.28 104.43 1d2k n THR 65 Ca -0.08 -0.05 -0.13 0.00 -2.27 0.00 0.00 64.05 61.53 1d2k n THR 65 Cb 0.60 0.49 -0.13 0.00 -2.10 0.00 0.00 70.33 69.19 1d2k n THR 65 CO 0.00 0.00 0.00 -1.00 -0.57 0.00 0.00 175.07 173.50 1d2k s HIS 66 N -2.06 -0.28 -0.15 4.78 3.76 -0.85 -1.18 115.29 119.32 1d2k s HIS 66 Ca -0.00 0.68 0.01 0.00 -0.15 0.00 0.00 55.06 55.59 1d2k s HIS 66 Cb 0.01 0.05 0.02 0.00 1.11 0.00 0.00 32.58 33.77 1d2k s HIS 66 CO 0.06 -0.18 -0.16 0.42 -0.85 0.00 0.00 174.74 174.03 1d2k s ILE 67 N 0.82 1.66 -0.31 0.60 1.01 0.03 -1.45 121.20 123.57 1d2k s ILE 67 Ca -0.06 -0.70 -0.15 0.00 0.00 0.00 0.00 60.65 59.74 1d2k s ILE 67 Cb -0.07 -1.54 -0.02 0.00 0.01 0.00 0.00 42.46 40.84 1d2k s ILE 67 CO -0.05 0.47 0.37 -0.76 0.00 0.00 0.00 174.94 174.97 1d2k s LEU 68 N 1.34 4.26 -0.45 2.97 1.43 -0.04 -0.91 118.68 127.28 1d2k s LEU 68 Ca 0.03 -0.02 -0.24 0.00 -1.03 0.00 0.00 54.13 52.87 1d2k s LEU 68 Cb -0.13 -2.37 0.03 0.00 0.03 0.00 0.00 46.19 43.74 1d2k s LEU 68 CO -0.09 -0.28 0.82 -0.47 0.23 0.00 0.00 176.35 176.56 1d2k s TYR 69 N 2.05 2.98 -0.05 0.29 5.04 0.03 -0.43 117.35 127.25 1d2k s TYR 69 Ca 0.13 0.22 -0.01 0.00 -2.44 0.00 0.00 57.07 54.98 1d2k s TYR 69 Cb -0.16 -3.74 -0.03 0.00 0.35 0.00 0.00 41.96 38.38 1d2k s TYR 69 CO 0.11 -1.01 0.01 0.00 -1.34 0.00 0.00 175.55 173.32 1d2k s ALA 70 N 3.41 3.33 0.01 3.97 0.00 -0.47 -1.09 121.76 130.92 1d2k s ALA 70 Ca 0.32 -0.85 0.00 0.00 0.00 0.00 0.00 51.96 51.43 1d2k s ALA 70 Cb -0.12 -1.46 -0.01 0.00 0.00 0.00 0.00 23.12 21.53 1d2k s ALA 70 CO 0.24 0.62 -0.03 -0.06 0.00 0.00 0.00 175.76 176.52 1d2k s PHE 71 N -0.98 0.24 0.24 0.00 0.08 -1.26 -1.38 117.98 114.93 1d2k s PHE 71 Ca 0.16 -0.33 -0.03 0.00 0.12 0.00 0.00 56.93 56.85 1d2k s PHE 71 Cb -0.11 -0.16 -0.05 0.00 -0.57 0.00 0.00 43.02 42.12 1d2k s PHE 71 CO 0.06 -0.10 0.47 0.00 -0.10 0.00 0.00 175.22 175.55 1d2k s ALA 72 N -0.90 3.72 0.38 5.36 0.00 0.29 -4.08 121.76 126.53 1d2k s ALA 72 Ca -0.09 -0.68 0.07 0.00 0.00 0.00 0.00 51.96 51.27 1d2k s ALA 72 Cb -0.06 -2.16 -0.01 0.00 0.00 0.00 0.00 23.12 20.89 1d2k s ALA 72 CO -0.00 0.35 0.42 1.21 0.00 0.00 0.00 175.76 177.73 1d2k s ASN 73 N -3.13 5.47 -0.06 0.00 3.84 0.01 -1.65 114.94 119.42 1d2k s ASN 73 Ca 0.41 -0.47 0.05 0.00 0.21 0.00 0.00 52.86 53.06 1d2k s ASN 73 Cb -0.11 -0.85 -0.00 0.00 -0.55 0.00 0.00 41.25 39.73 1d2k s ASN 73 CO 0.29 -0.54 -0.20 -0.63 -2.79 0.00 0.00 177.10 173.23 1d2k s ILE 74 N -2.33 1.70 0.26 -5.21 1.09 -1.26 -1.33 121.20 114.12 1d2k s ILE 74 Ca 0.47 -0.85 -0.13 0.00 -1.10 0.00 0.00 60.65 59.04 1d2k s ILE 74 Cb -0.07 -1.46 -0.08 0.00 -1.06 0.00 0.00 42.46 39.80 1d2k s ILE 74 CO 0.29 0.48 0.64 -0.60 -0.10 0.00 0.00 174.94 175.65 1d2k s ARG 75 N 0.07 3.93 0.65 2.79 6.06 0.32 -4.91 118.95 127.85 1d2k s ARG 75 Ca -0.07 0.49 0.27 0.00 -2.50 0.00 0.00 55.73 53.93 1d2k s ARG 75 Cb -0.14 -2.60 1.46 0.00 0.06 0.00 0.00 34.95 33.73 1d2k s ARG 75 CO 0.04 0.27 1.83 -1.35 -2.50 0.00 0.00 175.30 173.59 1d2k h PRO 76 N 2.57 0.00 0.00 5.12 0.11 -1.88 0.20 132.00 138.12 1d2k h PRO 76 Ca -0.47 0.00 -0.12 0.00 0.11 0.00 0.00 66.00 65.52 1d2k h PRO 76 Cb 1.17 0.00 -0.02 0.00 0.11 0.00 0.00 31.00 32.27 1d2k h PRO 76 CO 0.67 0.00 -0.55 0.66 -0.21 0.00 0.00 178.00 178.57 1d2k h SER 77 N 0.00 0.00 0.00 -2.05 4.64 -1.96 -3.32 113.55 110.87 1d2k h SER 77 Ca 0.06 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.38 1d2k h SER 77 Cb 0.93 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.02 1d2k h SER 77 CO -0.00 0.55 0.00 0.61 -0.87 0.00 0.00 176.83 177.12 1d2k n GLY 78 N 0.76 1.72 3.67 -0.77 0.00 0.70 -4.16 105.19 107.12 1d2k n GLY 78 Ca 0.00 0.00 -0.44 0.00 0.00 0.00 0.00 46.02 45.59 1d2k n GLY 78 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 1d2k n GLU 79 N 0.00 2.69 -3.30 1.61 2.13 -1.25 -3.09 120.64 119.43 1d2k n GLU 79 Ca 0.00 0.99 -0.39 0.00 0.66 0.00 0.00 57.16 58.42 1d2k n GLU 79 Cb 0.00 -2.91 -0.06 0.00 0.27 0.00 0.00 31.44 28.74 1d2k n GLU 79 CO 0.00 0.00 0.00 0.08 -0.41 0.00 0.00 177.13 176.80 1d2k s VAL 80 N 4.11 4.78 0.03 6.31 1.01 -1.26 -0.52 120.40 134.86 1d2k s VAL 80 Ca 0.89 1.17 -0.11 0.00 0.00 0.00 0.00 61.98 63.93 1d2k s VAL 80 Cb -0.51 -3.88 0.01 0.00 0.00 0.00 0.00 36.38 32.01 1d2k s VAL 80 CO 0.44 0.55 0.24 -0.72 0.00 0.00 0.00 175.10 175.61 1d2k s TYR 81 N -1.07 -0.03 0.29 5.22 -0.85 -0.44 -4.77 117.35 115.70 1d2k s TYR 81 Ca 0.28 -0.10 -0.29 0.00 -0.52 0.00 0.00 57.07 56.43 1d2k s TYR 81 Cb -0.19 0.02 -0.10 0.00 0.38 0.00 0.00 41.96 42.07 1d2k s TYR 81 CO 0.18 -0.43 1.43 -0.51 -1.52 0.00 0.00 175.55 174.70 1d2k s LEU 82 N -1.89 4.38 0.13 -3.49 1.43 -1.26 -0.81 118.68 117.17 1d2k s LEU 82 Ca -0.07 2.75 0.07 0.00 -1.03 0.00 0.00 54.13 55.85 1d2k s LEU 82 Cb -0.02 -3.64 -0.17 0.00 0.03 0.00 0.00 46.19 42.39 1d2k s LEU 82 CO -0.02 -0.71 1.30 0.77 0.23 0.00 0.00 176.35 177.92 1d2k h SER 83 N 4.43 0.00 -3.10 2.29 4.64 -1.92 -3.42 113.55 116.46 1d2k h SER 83 Ca -0.47 0.00 -0.59 0.00 -0.47 0.00 0.00 61.79 60.25 1d2k h SER 83 Cb 1.22 0.00 -0.40 0.00 -0.31 0.00 0.00 62.40 62.92 1d2k h SER 83 CO 0.74 0.96 -0.78 -0.62 -0.87 0.00 0.00 176.83 176.26 1d2k s ASP 84 N -6.71 3.44 0.36 4.97 -1.08 -1.26 -4.99 116.67 111.40 1d2k s ASP 84 Ca 0.01 -2.30 0.11 0.00 -0.52 0.00 0.00 52.55 49.85 1d2k s ASP 84 Cb 0.10 -0.76 0.90 0.00 -1.46 0.00 0.00 42.92 41.70 1d2k s ASP 84 CO 0.81 -0.31 1.83 0.71 0.52 0.00 0.00 175.17 178.73 1d2k h THR 85 N 5.34 0.72 0.28 1.71 1.35 -1.98 0.84 112.91 121.17 1d2k h THR 85 Ca -0.01 -0.21 -0.01 0.00 -0.55 0.00 0.00 66.41 65.63 1d2k h THR 85 Cb 0.96 0.06 0.00 0.00 -1.73 0.00 0.00 68.15 67.44 1d2k h THR 85 CO 0.40 0.11 -0.14 -0.25 -0.25 0.00 0.00 175.52 175.39 1d2k h TRP 86 N 0.61 -0.35 -0.31 4.73 2.91 -1.95 -0.10 115.95 121.48 1d2k h TRP 86 Ca 0.51 -0.01 -0.08 0.00 1.13 0.00 0.00 58.89 60.44 1d2k h TRP 86 Cb 0.99 0.12 -0.01 0.00 -0.51 0.00 0.00 29.16 29.75 1d2k h TRP 86 CO -0.00 -0.08 -0.11 0.00 -1.03 0.00 0.00 178.44 177.22 1d2k h ALA 87 N 0.05 0.43 0.08 2.65 0.00 -1.77 0.18 119.26 120.87 1d2k h ALA 87 Ca -0.04 -0.31 -0.00 0.00 0.00 0.00 0.00 54.91 54.56 1d2k h ALA 87 Cb 0.43 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 18.12 1d2k h ALA 87 CO 0.06 0.30 -0.04 -0.44 0.00 0.00 0.00 179.25 179.13 1d2k h ASP 88 N 0.39 -0.09 0.00 0.00 3.32 -0.92 0.05 116.42 119.16 1d2k h ASP 88 Ca 0.07 -0.45 0.00 0.00 0.02 0.00 0.00 57.03 56.67 1d2k h ASP 88 Cb 0.62 0.02 0.00 0.00 0.22 0.00 0.00 39.33 40.20 1d2k h ASP 88 CO 0.04 0.44 -0.76 0.35 -1.72 0.00 0.00 179.24 177.58 1d2k n THR 89 N -4.89 0.00 -0.04 0.35 -2.24 -0.56 -1.65 114.28 105.25 1d2k n THR 89 Ca -0.08 0.00 -0.14 0.00 -2.27 0.00 0.00 64.05 61.56 1d2k n THR 89 Cb 0.27 0.05 -0.14 0.00 -2.10 0.00 0.00 70.33 68.41 1d2k n THR 89 CO 0.00 0.00 0.00 0.47 -0.57 0.00 0.00 175.07 174.97 1d2k n ASP 90 N -1.29 1.28 -4.69 3.42 10.43 -0.16 -1.52 116.55 124.02 1d2k n ASP 90 Ca 0.00 0.23 -0.44 0.00 2.57 0.00 0.00 54.79 57.15 1d2k n ASP 90 Cb 0.11 -0.21 -0.03 0.00 1.84 0.00 0.00 41.12 42.82 1d2k n ASP 90 CO 0.00 0.00 0.00 1.17 -1.07 0.00 0.00 177.20 177.30 1d2k n LYS 91 N -3.17 2.42 -3.55 -1.24 4.81 0.60 -4.55 118.16 113.48 1d2k n LYS 91 Ca -0.27 0.87 -0.38 0.00 -0.87 0.00 0.00 58.31 57.66 1d2k n LYS 91 Cb 1.06 -2.66 -0.10 0.00 0.02 0.00 0.00 35.03 33.35 1d2k n LYS 91 CO 0.00 0.00 0.00 -1.01 1.17 0.00 0.00 177.40 177.56 1d2k s HIS 92 N 0.85 3.28 0.23 5.64 3.76 -1.26 0.20 115.29 127.99 1d2k s HIS 92 Ca 0.75 0.29 0.05 0.00 -0.15 0.00 0.00 55.06 56.00 1d2k s HIS 92 Cb -0.60 -2.40 -0.03 0.00 1.11 0.00 0.00 32.58 30.66 1d2k s HIS 92 CO 0.38 -0.07 0.33 0.71 -0.85 0.00 0.00 174.74 175.24 1d2k s TYR 93 N 1.49 3.41 0.02 1.40 1.51 -1.26 -4.97 117.35 118.94 1d2k s TYR 93 Ca 0.10 -0.01 -0.37 0.00 -1.01 0.00 0.00 57.07 55.78 1d2k s TYR 93 Cb -0.15 -1.56 -0.17 0.00 -0.11 0.00 0.00 41.96 39.97 1d2k s TYR 93 CO 0.08 0.46 1.41 -2.30 -1.11 0.00 0.00 175.55 174.09 1d2k n PRO 94 N -1.26 1.13 0.00 -1.71 -0.02 -1.26 -0.83 135.00 131.05 1d2k n PRO 94 Ca -0.09 0.41 0.00 0.00 -2.02 0.00 0.00 63.50 61.80 1d2k n PRO 94 Cb 0.57 -2.06 0.00 0.00 -0.02 0.00 0.00 33.50 31.99 1d2k n PRO 94 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1d2k n GLY 95 N 2.82 0.68 3.59 -1.23 0.00 -1.26 -5.06 105.19 104.72 1d2k n GLY 95 Ca 0.20 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.81 1d2k n GLY 95 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1d2k s ASP 96 N -1.93 6.47 0.76 1.61 -0.00 -0.01 -5.06 116.67 118.50 1d2k s ASP 96 Ca 0.00 0.32 -0.11 0.00 -0.00 0.00 0.00 52.55 52.76 1d2k s ASP 96 Cb 0.00 -2.33 0.05 0.00 -0.00 0.00 0.00 42.92 40.64 1d2k s ASP 96 CO 0.00 -0.52 1.10 -0.54 -0.00 0.00 0.00 175.17 175.21 1d2k s LYS 97 N 2.64 2.42 -0.05 8.23 1.02 -1.26 -4.85 119.74 127.89 1d2k s LYS 97 Ca 0.25 0.58 0.17 0.00 0.02 0.00 0.00 55.97 56.99 1d2k s LYS 97 Cb -0.15 -1.96 -0.25 0.00 -0.52 0.00 0.00 37.83 34.95 1d2k s LYS 97 CO 0.13 -1.37 0.31 0.91 -0.92 0.00 0.00 175.35 174.41 1d2k n TRP 98 N -3.25 0.00 -1.19 3.18 7.02 -1.26 -4.64 117.44 117.29 1d2k n TRP 98 Ca 0.07 0.00 0.04 0.00 -1.02 0.00 0.00 57.50 56.59 1d2k n TRP 98 Cb 0.56 -0.47 0.22 0.00 -2.42 0.00 0.00 31.31 29.21 1d2k n TRP 98 CO 0.00 0.00 0.00 -0.40 -2.02 0.00 0.00 177.69 175.27 1d2k n ASP 99 N -2.19 3.12 -4.77 -0.99 5.75 -1.26 -5.04 116.55 111.17 1d2k n ASP 99 Ca -0.08 -3.33 -0.40 0.00 -0.01 0.00 0.00 54.79 50.98 1d2k n ASP 99 Cb 0.56 -0.57 -0.01 0.00 -1.03 0.00 0.00 41.12 40.07 1d2k n ASP 99 CO 0.00 0.00 0.00 -1.61 -0.11 0.00 0.00 177.20 175.48 1d2k s GLU 100 N -3.00 4.07 0.37 0.11 2.02 -1.26 -4.98 118.70 116.02 1d2k s GLU 100 Ca 0.42 2.14 -0.27 0.00 0.02 0.00 0.00 54.97 57.27 1d2k s GLU 100 Cb 0.36 -2.82 -0.09 0.00 0.10 0.00 0.00 34.13 31.67 1d2k s GLU 100 CO 0.04 -0.40 1.28 -1.25 0.02 0.00 0.00 175.26 174.95 1d2k s PRO 101 N -2.14 4.17 1.79 0.39 0.04 -1.26 -4.88 135.00 133.12 1d2k s PRO 101 Ca 0.55 2.12 0.00 0.00 0.04 0.00 0.00 61.00 63.71 1d2k s PRO 101 Cb -0.38 -2.90 0.00 0.00 0.04 0.00 0.00 34.50 31.27 1d2k s PRO 101 CO 0.49 -0.31 0.00 0.41 0.04 0.00 0.00 177.00 177.63 1d2k n GLY 102 N 0.74 -1.59 3.71 0.56 0.00 -1.26 -4.78 105.19 102.56 1d2k n GLY 102 Ca 0.02 -1.33 -0.39 0.00 0.00 0.00 0.00 46.02 44.32 1d2k n GLY 102 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 1d2k s ASN 103 N -4.00 6.78 0.07 1.61 2.47 -1.26 -4.97 114.94 115.64 1d2k s ASN 103 Ca 0.00 0.94 0.03 0.00 0.42 0.00 0.00 52.86 54.25 1d2k s ASN 103 Cb 0.00 -2.34 -0.03 0.00 -1.45 0.00 0.00 41.25 37.43 1d2k s ASN 103 CO 0.00 -0.10 -0.09 0.20 -3.72 0.00 0.00 177.10 173.40 1d2k s ASN 104 N 0.81 1.15 0.01 -4.21 0.01 -1.26 -0.44 114.94 111.01 1d2k s ASN 104 Ca 0.30 -0.74 0.05 0.00 -0.71 0.00 0.00 52.86 51.77 1d2k s ASN 104 Cb -0.16 0.04 -0.03 0.00 0.41 0.00 0.00 41.25 41.50 1d2k s ASN 104 CO 0.13 -0.27 -0.15 0.68 -1.51 0.00 0.00 177.10 175.98 1d2k s VAL 105 N -2.21 3.02 0.00 1.60 -7.23 -1.26 -5.03 120.40 109.29 1d2k s VAL 105 Ca 0.00 -0.99 0.00 0.00 -1.81 0.00 0.00 61.98 59.19 1d2k s VAL 105 Cb -0.04 -2.25 0.00 0.00 0.56 0.00 0.00 36.38 34.64 1d2k s VAL 105 CO -0.01 0.42 0.00 -1.22 -0.31 0.00 0.00 175.10 173.98 1d2k n TYR 106 N 1.76 0.00 -4.83 2.82 4.02 -0.57 -4.64 117.16 115.71 1d2k n TYR 106 Ca -0.16 0.00 0.00 0.00 -0.01 0.00 0.00 57.90 57.73 1d2k n TYR 106 Cb 0.52 0.00 0.00 0.00 -0.02 0.00 0.00 39.34 39.84 1d2k n TYR 106 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 1d2k n GLY 107 N 2.55 0.41 0.21 2.72 0.00 0.13 -2.59 105.19 108.63 1d2k n GLY 107 Ca 0.00 -0.92 0.07 0.00 0.00 0.00 0.00 46.02 45.16 1d2k n GLY 107 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1d2k h ILE 109 N 0.00 0.69 -0.77 0.00 1.08 -1.33 0.12 117.51 117.29 1d2k h ILE 109 Ca -0.00 0.00 -0.00 0.00 -0.39 0.00 0.00 64.86 64.46 1d2k h ILE 109 Cb 0.60 0.69 -0.04 0.00 -3.07 0.00 0.00 36.82 35.00 1d2k h ILE 109 CO 0.04 0.00 0.47 0.50 -0.69 0.00 0.00 178.15 178.46 1d2k h LYS 110 N -0.18 1.04 -0.42 2.37 3.64 -1.37 -2.00 116.57 119.64 1d2k h LYS 110 Ca 0.06 -0.09 -0.01 0.00 -1.27 0.00 0.00 60.65 59.33 1d2k h LYS 110 Cb 0.26 -0.22 -0.02 0.00 -0.41 0.00 0.00 32.23 31.84 1d2k h LYS 110 CO -0.15 0.73 0.21 1.96 -2.27 0.00 0.00 179.45 179.93 1d2k h GLN 111 N 1.05 0.58 -0.55 1.90 1.08 -1.29 -0.84 115.11 117.05 1d2k h GLN 111 Ca 0.28 -0.06 -0.09 0.00 -1.45 0.00 0.00 58.65 57.32 1d2k h GLN 111 Cb -0.04 -0.12 -0.02 0.00 -0.05 0.00 0.00 27.48 27.25 1d2k h GLN 111 CO -0.05 0.45 -0.02 0.52 -0.95 0.00 0.00 178.83 178.78 1d2k h MET 112 N 0.59 0.99 -0.55 1.46 2.86 -0.09 -2.35 114.93 117.84 1d2k h MET 112 Ca 0.15 -0.32 -0.09 0.00 -2.06 0.00 0.00 59.70 57.37 1d2k h MET 112 Cb 0.05 -0.08 -0.02 0.00 0.06 0.00 0.00 31.60 31.61 1d2k h MET 112 CO -0.02 1.00 -0.03 -0.92 1.06 0.00 0.00 176.91 178.00 1d2k h TYR 113 N 0.87 1.06 -0.68 -0.22 3.20 -0.79 -2.43 116.97 117.98 1d2k h TYR 113 Ca 0.15 -0.18 -0.01 0.00 3.14 0.00 0.00 58.73 61.83 1d2k h TYR 113 Cb 0.56 -0.28 -0.03 0.00 1.54 0.00 0.00 36.73 38.53 1d2k h TYR 113 CO 0.04 0.96 0.38 -0.07 -1.64 0.00 0.00 178.16 177.83 1d2k h LEU 114 N 0.89 0.83 -0.50 2.82 3.38 -0.90 -0.45 115.31 121.38 1d2k h LEU 114 Ca 0.16 -0.06 -0.14 0.00 0.09 0.00 0.00 57.88 57.93 1d2k h LEU 114 Cb 0.56 -0.21 -0.01 0.00 0.09 0.00 0.00 40.66 41.09 1d2k h LEU 114 CO 0.03 0.66 -0.25 -0.07 0.09 0.00 0.00 178.44 178.91 1d2k h LEU 115 N 0.94 1.00 -1.30 1.67 3.38 -1.15 -2.57 115.31 117.28 1d2k h LEU 115 Ca 0.24 -0.39 -0.02 0.00 0.09 0.00 0.00 57.88 57.79 1d2k h LEU 115 Cb 0.01 -0.28 -0.02 0.00 0.09 0.00 0.00 40.66 40.46 1d2k h LEU 115 CO -0.04 1.19 0.20 0.11 0.09 0.00 0.00 178.44 179.98 1d2k h LYS 116 N 0.83 0.68 -0.63 1.13 1.57 -0.87 0.10 116.57 119.37 1d2k h LYS 116 Ca 0.10 -0.09 -0.07 0.00 -1.87 0.00 0.00 60.65 58.72 1d2k h LYS 116 Cb 0.82 -0.13 -0.03 0.00 0.08 0.00 0.00 32.23 32.98 1d2k h LYS 116 CO 0.07 0.56 0.13 0.87 -0.57 0.00 0.00 179.45 180.50 1d2k h LYS 117 N 0.68 1.03 0.00 3.15 1.57 -0.73 -3.19 116.57 119.07 1d2k h LYS 117 Ca 0.17 -0.26 -0.19 0.00 -1.87 0.00 0.00 60.65 58.49 1d2k h LYS 117 Cb 0.13 -0.13 -0.03 0.00 0.08 0.00 0.00 32.23 32.28 1d2k h LYS 117 CO -0.02 0.95 -0.91 -0.97 -0.57 0.00 0.00 179.45 177.93 1d2k h ASN 118 N 0.95 0.00 -3.55 0.86 -1.24 -0.98 -3.40 115.58 108.22 1d2k h ASN 118 Ca 0.19 0.00 -0.62 0.00 0.71 0.00 0.00 56.30 56.58 1d2k h ASN 118 Cb 0.40 0.00 -0.40 0.00 0.73 0.00 0.00 38.32 39.05 1d2k h ASN 118 CO 0.01 0.91 -0.73 0.21 -1.29 0.00 0.00 177.43 176.54 1d2k s ASN 119 N -6.73 4.24 0.17 1.15 2.47 0.27 -4.96 114.94 111.55 1d2k s ASN 119 Ca 0.01 -2.17 0.14 0.00 0.42 0.00 0.00 52.86 51.25 1d2k s ASN 119 Cb 0.10 -1.25 0.69 0.00 -1.45 0.00 0.00 41.25 39.35 1d2k s ASN 119 CO 0.81 -0.35 1.43 0.54 -3.72 0.00 0.00 177.10 175.80 1d2k n ARG 120 N 4.18 0.09 -0.10 0.43 5.12 -1.24 -0.41 116.66 124.73 1d2k n ARG 120 Ca 0.03 0.52 0.12 0.00 -1.93 0.00 0.00 57.85 56.58 1d2k n ARG 120 Cb 0.39 -1.74 0.26 0.00 -1.16 0.00 0.00 32.46 30.21 1d2k n ARG 120 CO 0.00 0.00 0.00 -1.71 -1.93 0.00 0.00 177.63 173.99 1d2k n ASN 121 N -1.92 2.69 -4.59 0.55 5.15 -1.26 -0.57 115.26 115.31 1d2k n ASN 121 Ca 0.00 -1.87 -0.39 0.00 -0.60 0.00 0.00 54.58 51.72 1d2k n ASN 121 Cb 0.07 -0.13 -0.09 0.00 -0.53 0.00 0.00 39.78 39.09 1d2k n ASN 121 CO 0.00 0.00 0.00 -0.22 1.40 0.00 0.00 177.26 178.44 1d2k s LEU 122 N -1.67 4.13 0.06 1.20 2.96 0.45 -4.62 118.68 121.18 1d2k s LEU 122 Ca 0.35 0.14 0.02 0.00 -0.22 0.00 0.00 54.13 54.42 1d2k s LEU 122 Cb 0.21 -2.40 -0.04 0.00 0.50 0.00 0.00 46.19 44.46 1d2k s LEU 122 CO 0.30 -0.22 0.09 -0.54 -1.32 0.00 0.00 176.35 174.65 1d2k s LYS 123 N 2.06 2.97 0.07 1.98 3.01 -0.32 -4.69 119.74 124.81 1d2k s LYS 123 Ca 0.14 -0.62 0.09 0.00 -1.01 0.00 0.00 55.97 54.57 1d2k s LYS 123 Cb -0.16 -2.78 -0.03 0.00 -1.01 0.00 0.00 37.83 33.85 1d2k s LYS 123 CO 0.11 0.59 -0.25 0.95 0.51 0.00 0.00 175.35 177.26 1d2k s THR 124 N -1.34 2.04 0.03 2.17 -4.23 -1.26 -0.79 115.64 112.27 1d2k s THR 124 Ca 0.28 -1.46 0.04 0.00 -1.18 0.00 0.00 61.69 59.37 1d2k s THR 124 Cb -0.12 -1.78 -0.02 0.00 1.34 0.00 0.00 72.50 71.92 1d2k s THR 124 CO 0.20 0.23 -0.11 -0.76 -0.54 0.00 0.00 174.62 173.64 1d2k s LEU 125 N -1.48 2.16 -0.30 4.79 1.02 -0.09 -0.38 118.68 124.41 1d2k s LEU 125 Ca 0.11 -0.41 -0.21 0.00 0.02 0.00 0.00 54.13 53.64 1d2k s LEU 125 Cb -0.10 -0.46 -0.01 0.00 0.02 0.00 0.00 46.19 45.64 1d2k s LEU 125 CO 0.03 -0.01 0.64 -0.22 0.02 0.00 0.00 176.35 176.82 1d2k s LEU 126 N -1.05 4.13 -0.28 1.79 0.20 -0.63 -0.79 118.68 122.04 1d2k s LEU 126 Ca -0.01 0.50 -0.16 0.00 0.69 0.00 0.00 54.13 55.15 1d2k s LEU 126 Cb -0.07 -2.85 -0.03 0.00 -0.43 0.00 0.00 46.19 42.81 1d2k s LEU 126 CO 0.01 -0.47 0.40 -0.55 -0.29 0.00 0.00 176.35 175.44 1d2k s SER 127 N 1.61 6.27 -0.14 3.68 0.15 -0.25 -0.28 113.70 124.73 1d2k s SER 127 Ca 0.26 0.22 -0.04 0.00 0.70 0.00 0.00 55.95 57.09 1d2k s SER 127 Cb -0.15 -2.22 -0.03 0.00 -1.71 0.00 0.00 66.02 61.91 1d2k s SER 127 CO 0.11 -0.24 -0.01 -0.63 1.20 0.00 0.00 173.24 173.68 1d2k s ILE 128 N 2.12 4.21 0.00 6.45 1.01 0.57 -0.55 121.20 135.01 1d2k s ILE 128 Ca 0.16 -0.26 0.00 0.00 0.00 0.00 0.00 60.65 60.55 1d2k s ILE 128 Cb -0.16 -2.83 0.00 0.00 0.01 0.00 0.00 42.46 39.48 1d2k s ILE 128 CO 0.10 0.52 0.00 0.61 0.00 0.00 0.00 174.94 176.18 1d2k n GLY 129 N 3.09 0.78 0.00 6.18 0.00 -0.66 -0.64 105.19 113.94 1d2k n GLY 129 Ca -0.18 -1.12 0.00 0.00 0.00 0.00 0.00 46.02 44.73 1d2k n GLY 129 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1d2k n GLY 130 N 0.00 0.13 0.18 -0.02 0.00 -0.28 -3.87 105.19 101.32 1d2k n GLY 130 Ca 0.00 -1.81 -0.05 0.00 0.00 0.00 0.00 46.02 44.15 1d2k n GLY 130 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 173.32 173.07 1d2k h TRP 131 N 0.00 -0.26 -0.54 1.61 2.91 -1.91 0.99 115.95 118.75 1d2k h TRP 131 Ca 0.00 0.04 -0.07 0.00 1.13 0.00 0.00 58.89 59.99 1d2k h TRP 131 Cb 0.00 0.17 -0.02 0.00 -0.51 0.00 0.00 29.16 28.80 1d2k h TRP 131 CO 0.00 -0.18 0.07 1.15 -1.03 0.00 0.00 178.44 178.45 1d2k h THR 132 N -0.03 1.26 -0.01 2.65 2.02 -1.96 -3.15 112.91 113.68 1d2k h THR 132 Ca 0.18 -0.99 0.00 0.00 0.77 0.00 0.00 66.41 66.37 1d2k h THR 132 Cb 0.30 0.84 0.00 0.00 -1.74 0.00 0.00 68.15 67.55 1d2k h THR 132 CO -0.40 0.36 -0.21 -1.22 0.37 0.00 0.00 175.52 174.42 1d2k n TYR 133 N -4.34 0.00 -0.25 3.16 0.53 -1.01 -4.46 117.16 110.79 1d2k n TYR 133 Ca 0.02 0.00 0.17 0.00 -1.02 0.00 0.00 57.90 57.07 1d2k n TYR 133 Cb 0.28 -0.14 0.47 0.00 -1.03 0.00 0.00 39.34 38.91 1d2k n TYR 133 CO 0.00 0.00 0.00 0.77 -1.02 0.00 0.00 176.86 176.61 1d2k h SER 134 N 0.99 0.49 0.16 7.72 0.02 -0.77 -1.92 113.55 120.24 1d2k h SER 134 Ca 0.00 0.04 0.00 0.00 -0.84 0.00 0.00 61.79 60.99 1d2k h SER 134 Cb 0.46 -0.05 0.00 0.00 0.14 0.00 0.00 62.40 62.95 1d2k h SER 134 CO 0.00 0.21 0.00 -2.65 -1.14 0.00 0.00 176.83 173.25 1d2k n PRO 135 N -4.54 0.10 -0.05 3.45 -0.02 -1.26 -2.09 135.00 130.59 1d2k n PRO 135 Ca 0.19 0.54 0.08 0.00 -2.02 0.00 0.00 63.50 62.28 1d2k n PRO 135 Cb 0.62 -1.78 0.39 0.00 -0.02 0.00 0.00 33.50 32.71 1d2k n PRO 135 CO 0.00 0.00 0.00 0.09 1.98 0.00 0.00 175.50 177.57 1d2k n ASN 136 N -1.99 0.78 -0.08 2.55 3.02 -0.72 -4.26 115.26 114.56 1d2k n ASN 136 Ca -0.00 -1.64 -0.19 0.00 -0.03 0.00 0.00 54.58 52.71 1d2k n ASN 136 Cb 0.07 -0.06 -0.12 0.00 -0.61 0.00 0.00 39.78 39.06 1d2k n ASN 136 CO 0.00 0.00 0.00 -0.26 -2.62 0.00 0.00 177.26 174.38 1d2k h PHE 137 N 1.00 0.04 -0.99 3.10 0.04 -1.63 -3.41 116.94 115.10 1d2k h PHE 137 Ca 0.00 -0.03 0.14 0.00 2.80 0.00 0.00 57.97 60.88 1d2k h PHE 137 Cb 0.22 -0.00 -0.15 0.00 2.20 0.00 0.00 35.95 38.22 1d2k h PHE 137 CO 0.06 1.35 -0.43 0.36 -0.60 0.00 0.00 178.31 179.05 1d2k n LYS 138 N -4.44 -0.28 0.30 1.51 2.85 -1.26 -1.04 118.16 115.80 1d2k n LYS 138 Ca -0.25 1.51 -0.12 0.00 -1.05 0.00 0.00 58.31 58.41 1d2k n LYS 138 Cb 0.64 -2.24 -0.06 0.00 -0.65 0.00 0.00 35.03 32.72 1d2k n LYS 138 CO 0.00 0.00 0.00 1.15 -0.05 0.00 0.00 177.40 178.50 1d2k h THR 139 N 0.00 0.00 0.00 0.58 2.02 -1.85 -0.76 112.91 112.89 1d2k h THR 139 Ca 0.30 0.00 -0.01 0.00 0.77 0.00 0.00 66.41 67.47 1d2k h THR 139 Cb 0.55 0.00 -0.00 0.00 -1.74 0.00 0.00 68.15 66.96 1d2k h THR 139 CO -0.97 0.00 -0.06 1.55 0.37 0.00 0.00 175.52 176.41 1d2k h PRO 140 N -0.76 0.00 0.00 6.66 0.13 -1.62 -1.68 132.00 134.73 1d2k h PRO 140 Ca -0.08 0.00 -0.03 0.00 -0.87 0.00 0.00 66.00 65.02 1d2k h PRO 140 Cb 0.59 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 31.71 1d2k h PRO 140 CO 0.12 0.06 -0.14 0.00 -0.23 0.00 0.00 178.00 177.81 1d2k h ALA 141 N 1.94 0.95 0.00 -0.56 0.00 -0.91 -2.68 119.26 118.00 1d2k h ALA 141 Ca -0.00 -0.13 0.00 0.00 0.00 0.00 0.00 54.91 54.78 1d2k h ALA 141 Cb 0.15 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 17.92 1d2k h ALA 141 CO 0.01 0.18 0.00 -1.13 0.00 0.00 0.00 179.25 178.31 1d2k n SER 142 N -3.19 0.60 -4.11 0.00 3.41 -0.31 -4.79 113.62 105.23 1d2k n SER 142 Ca 0.02 0.68 -0.11 0.00 -0.26 0.00 0.00 58.87 59.20 1d2k n SER 142 Cb 0.49 -0.79 -0.10 0.00 -0.26 0.00 0.00 64.21 63.54 1d2k n SER 142 CO 0.00 0.00 0.00 0.42 -0.16 0.00 0.00 175.04 175.30 1d2k s THR 143 N -3.35 0.53 0.22 6.66 -4.23 -1.23 -5.05 115.64 109.19 1d2k s THR 143 Ca 0.03 -1.60 -0.08 0.00 -1.18 0.00 0.00 61.69 58.86 1d2k s THR 143 Cb 0.08 -1.25 0.16 0.00 1.34 0.00 0.00 72.50 72.84 1d2k s THR 143 CO 0.34 -0.73 1.83 -0.33 -0.54 0.00 0.00 174.62 175.19 1d2k h GLU 144 N 3.55 0.77 0.21 3.99 4.39 -1.87 -1.45 114.58 124.18 1d2k h GLU 144 Ca -0.35 -0.05 -0.01 0.00 0.34 0.00 0.00 59.36 59.30 1d2k h GLU 144 Cb 1.17 -0.17 -0.00 0.00 -0.10 0.00 0.00 28.75 29.65 1d2k h GLU 144 CO 0.56 0.51 -0.13 0.93 -1.16 0.00 0.00 179.01 179.73 1d2k h GLU 145 N 0.79 -0.32 -0.58 2.33 3.07 -1.96 -0.22 114.58 117.70 1d2k h GLU 145 Ca 0.32 0.02 -0.02 0.00 -0.50 0.00 0.00 59.36 59.18 1d2k h GLU 145 Cb 0.16 0.07 -0.03 0.00 -0.84 0.00 0.00 28.75 28.11 1d2k h GLU 145 CO -0.17 -0.21 0.27 0.78 -1.40 0.00 0.00 179.01 178.28 1d2k h GLY 146 N -0.33 0.87 0.72 -3.84 0.00 -1.62 -0.71 103.07 98.16 1d2k h GLY 146 Ca -0.02 -0.41 -0.04 0.00 0.00 0.00 0.00 47.33 46.86 1d2k h GLY 146 CO 0.02 0.39 -0.08 3.21 0.00 0.00 0.00 176.54 180.08 1d2k h ARG 147 N 0.81 0.29 -0.30 4.80 3.08 -0.91 -0.03 114.38 122.13 1d2k h ARG 147 Ca 0.20 -0.13 -0.05 0.00 0.07 0.00 0.00 59.98 60.07 1d2k h ARG 147 Cb 0.09 -0.00 -0.02 0.00 0.08 0.00 0.00 29.97 30.12 1d2k h ARG 147 CO -0.03 0.64 -0.01 0.87 -1.07 0.00 0.00 179.97 180.37 1d2k h LYS 148 N -0.07 0.46 -0.24 0.04 1.79 -0.86 0.73 116.57 118.42 1d2k h LYS 148 Ca 0.03 -0.09 -0.06 0.00 -2.18 0.00 0.00 60.65 58.34 1d2k h LYS 148 Cb 0.56 -0.07 -0.01 0.00 -1.58 0.00 0.00 32.23 31.13 1d2k h LYS 148 CO 0.02 0.50 -0.10 -0.22 -1.08 0.00 0.00 179.45 178.57 1d2k h LYS 149 N 0.44 0.48 0.16 3.15 1.63 -1.03 0.56 116.57 121.97 1d2k h LYS 149 Ca 0.10 -0.20 0.01 0.00 -0.85 0.00 0.00 60.65 59.70 1d2k h LYS 149 Cb 0.31 -0.02 -0.02 0.00 -0.60 0.00 0.00 32.23 31.91 1d2k h LYS 149 CO 0.01 0.74 -0.17 0.35 -3.45 0.00 0.00 179.45 176.93 1d2k h PHE 150 N 0.21 -0.46 -0.74 1.91 3.04 -0.54 -0.65 116.94 119.70 1d2k h PHE 150 Ca 0.05 0.00 0.07 0.00 3.98 0.00 0.00 57.97 62.07 1d2k h PHE 150 Cb 0.59 0.18 -0.06 0.00 2.56 0.00 0.00 35.95 39.22 1d2k h PHE 150 CO 0.06 -0.26 0.43 0.00 -2.02 0.00 0.00 178.31 176.51 1d2k h ALA 151 N 0.43 1.01 -0.04 2.41 0.00 -0.78 -1.62 119.26 120.66 1d2k h ALA 151 Ca 0.01 0.01 -0.01 0.00 0.00 0.00 0.00 54.91 54.92 1d2k h ALA 151 Cb 0.36 -0.15 -0.00 0.00 0.00 0.00 0.00 17.79 18.00 1d2k h ALA 151 CO -0.06 0.11 -0.01 -0.44 0.00 0.00 0.00 179.25 178.85 1d2k h ASP 152 N 0.77 0.08 -0.61 0.00 3.45 -0.66 -2.57 116.42 116.88 1d2k h ASP 152 Ca 0.33 -0.37 -0.09 0.00 0.43 0.00 0.00 57.03 57.34 1d2k h ASP 152 Cb 0.21 -0.02 -0.02 0.00 -0.56 0.00 0.00 39.33 38.94 1d2k h ASP 152 CO -0.19 0.43 0.05 0.71 -1.57 0.00 0.00 179.24 178.67 1d2k h THR 153 N -0.27 1.26 -0.56 0.35 1.35 -1.01 -1.01 112.91 113.02 1d2k h THR 153 Ca 0.01 -1.09 -0.04 0.00 -0.55 0.00 0.00 66.41 64.74 1d2k h THR 153 Cb 0.40 0.76 -0.02 0.00 -1.73 0.00 0.00 68.15 67.55 1d2k h THR 153 CO 0.00 0.40 0.18 0.77 -0.25 0.00 0.00 175.52 176.63 1d2k h SER 154 N 0.96 0.82 -0.37 5.36 4.64 -1.37 -1.39 113.55 122.18 1d2k h SER 154 Ca 0.18 -0.20 -0.01 0.00 -0.47 0.00 0.00 61.79 61.29 1d2k h SER 154 Cb 0.50 -0.21 -0.02 0.00 -0.31 0.00 0.00 62.40 62.36 1d2k h SER 154 CO 0.02 0.80 0.19 0.25 -0.87 0.00 0.00 176.83 177.22 1d2k h LEU 155 N 0.79 0.48 -0.55 5.97 7.12 -1.29 -0.12 115.31 127.71 1d2k h LEU 155 Ca 0.18 -0.12 0.07 0.00 0.13 0.00 0.00 57.88 58.15 1d2k h LEU 155 Cb 0.27 -0.12 -0.06 0.00 -0.53 0.00 0.00 40.66 40.22 1d2k h LEU 155 CO -0.01 0.46 0.23 0.50 -0.13 0.00 0.00 178.44 179.50 1d2k h LYS 156 N 0.47 0.43 -0.62 1.25 3.11 -0.86 0.73 116.57 121.07 1d2k h LYS 156 Ca 0.13 -0.03 -0.09 0.00 -2.81 0.00 0.00 60.65 57.86 1d2k h LYS 156 Cb 0.10 -0.10 -0.02 0.00 -1.00 0.00 0.00 32.23 31.21 1d2k h LYS 156 CO -0.02 0.28 0.04 -0.07 -2.81 0.00 0.00 179.45 176.88 1d2k h LEU 157 N 0.44 1.03 -0.17 5.20 -0.00 -0.90 -0.80 115.31 120.11 1d2k h LEU 157 Ca 0.26 -0.27 -0.00 0.00 -0.00 0.00 0.00 57.88 57.87 1d2k h LEU 157 Cb 0.26 -0.27 -0.01 0.00 -0.00 0.00 0.00 40.66 40.64 1d2k h LEU 157 CO -0.24 1.05 0.09 -0.03 -0.00 0.00 0.00 178.44 179.31 1d2k h MET 158 N 0.98 0.24 -0.09 1.13 4.05 -0.13 0.11 114.93 121.21 1d2k h MET 158 Ca 0.18 -0.03 -0.12 0.00 -0.28 0.00 0.00 59.70 59.45 1d2k h MET 158 Cb 0.50 -0.05 -0.01 0.00 -0.80 0.00 0.00 31.60 31.25 1d2k h MET 158 CO 0.02 0.26 -0.49 1.57 0.23 0.00 0.00 176.91 178.50 1d2k h LYS 159 N 0.16 0.22 0.14 0.39 5.09 -0.78 -1.97 116.57 119.83 1d2k h LYS 159 Ca 0.06 -0.12 -0.19 0.00 0.09 0.00 0.00 60.65 60.48 1d2k h LYS 159 Cb 0.09 0.01 0.02 0.00 0.10 0.00 0.00 32.23 32.45 1d2k h LYS 159 CO -0.01 0.67 -0.85 -0.44 -2.09 0.00 0.00 179.45 176.73 1d2k h ASP 160 N 0.18 0.50 0.44 7.07 3.45 -0.98 -3.37 116.42 123.70 1d2k h ASP 160 Ca 0.01 -0.94 0.00 0.00 0.43 0.00 0.00 57.03 56.53 1d2k h ASP 160 Cb 0.94 -0.16 0.00 0.00 -0.56 0.00 0.00 39.33 39.55 1d2k h ASP 160 CO 0.08 1.41 -0.06 0.18 -1.57 0.00 0.00 179.24 179.27 1d2k n LEU 161 N -4.10 0.25 -0.47 1.55 4.77 0.35 -4.67 117.00 114.69 1d2k n LEU 161 Ca -0.14 0.12 -0.01 0.00 -0.03 0.00 0.00 56.01 55.95 1d2k n LEU 161 Cb 0.83 -0.22 0.00 0.00 -2.33 0.00 0.00 43.42 41.71 1d2k n LEU 161 CO 0.49 0.05 0.00 0.61 -1.33 0.00 0.00 177.39 177.22 1d2k n GLY 162 N 1.27 0.67 3.92 -0.72 0.00 -0.99 -4.90 105.19 104.43 1d2k n GLY 162 Ca 0.15 -0.71 -0.27 0.00 0.00 0.00 0.00 46.02 45.19 1d2k n GLY 162 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1d2k s PHE 163 N -2.66 3.49 -1.77 1.61 0.08 -0.77 -4.90 117.98 113.05 1d2k s PHE 163 Ca 0.02 0.55 0.27 0.00 0.12 0.00 0.00 56.93 57.89 1d2k s PHE 163 Cb -0.01 -2.04 0.83 0.00 -0.57 0.00 0.00 43.02 41.23 1d2k s PHE 163 CO 0.03 0.16 1.61 -0.25 -0.10 0.00 0.00 175.22 176.67 1d2k n ASP 164 N -1.17 0.97 0.00 1.36 9.92 0.49 -4.77 116.55 123.34 1d2k n ASP 164 Ca -0.03 -0.87 0.00 0.00 -0.53 0.00 0.00 54.79 53.37 1d2k n ASP 164 Cb 0.54 0.10 0.00 0.00 -0.64 0.00 0.00 41.12 41.13 1d2k n ASP 164 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 1d2k n GLY 165 N 1.33 -1.21 3.13 0.44 0.00 -1.17 -1.18 105.19 106.53 1d2k n GLY 165 Ca 0.13 -1.02 -0.15 0.00 0.00 0.00 0.00 46.02 44.98 1d2k n GLY 165 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 1d2k s ILE 166 N -3.00 0.85 -0.08 -0.61 -4.36 -0.21 -1.60 121.20 112.19 1d2k s ILE 166 Ca 0.00 -1.30 0.02 0.00 -0.26 0.00 0.00 60.65 59.12 1d2k s ILE 166 Cb 0.00 -0.96 0.01 0.00 1.25 0.00 0.00 42.46 42.76 1d2k s ILE 166 CO 0.00 -0.37 -0.14 -0.62 0.24 0.00 0.00 174.94 174.06 1d2k s ASP 167 N -1.84 2.03 -0.25 4.36 -1.08 0.61 -1.41 116.67 119.09 1d2k s ASP 167 Ca -0.03 -0.35 -0.05 0.00 -0.52 0.00 0.00 52.55 51.60 1d2k s ASP 167 Cb -0.08 -0.93 -0.00 0.00 -1.46 0.00 0.00 42.92 40.44 1d2k s ASP 167 CO 0.01 0.04 0.01 -0.63 0.52 0.00 0.00 175.17 175.12 1d2k s ILE 168 N 0.68 3.66 -0.54 4.11 1.01 0.25 -0.32 121.20 130.05 1d2k s ILE 168 Ca -0.14 -0.53 -0.05 0.00 0.00 0.00 0.00 60.65 59.93 1d2k s ILE 168 Cb -0.16 -2.75 0.14 0.00 0.01 0.00 0.00 42.46 39.70 1d2k s ILE 168 CO 0.04 0.30 0.37 -1.81 0.00 0.00 0.00 174.94 173.84 1d2k s ASP 169 N 1.50 5.45 -0.35 3.58 1.11 0.18 -2.96 116.67 125.18 1d2k s ASP 169 Ca 0.05 -2.40 -0.09 0.00 0.18 0.00 0.00 52.55 50.29 1d2k s ASP 169 Cb -0.15 -1.91 0.03 0.00 1.07 0.00 0.00 42.92 41.96 1d2k s ASP 169 CO -0.01 -0.50 0.15 0.86 1.18 0.00 0.00 175.17 176.85 1d2k s TRP 170 N 0.60 3.23 -0.40 4.23 -0.11 -1.26 -1.13 118.94 124.10 1d2k s TRP 170 Ca 0.12 -1.11 0.04 0.00 1.22 0.00 0.00 56.10 56.37 1d2k s TRP 170 Cb -0.21 -2.35 0.11 0.00 -1.50 0.00 0.00 33.47 29.52 1d2k s TRP 170 CO -0.03 -0.66 0.13 -1.21 -4.62 0.00 0.00 176.95 170.56 1d2k s GLU 171 N 1.49 1.64 0.04 5.86 2.02 -1.26 -4.34 118.70 124.15 1d2k s GLU 171 Ca 0.01 -2.13 -0.09 0.00 0.02 0.00 0.00 54.97 52.77 1d2k s GLU 171 Cb -0.19 -3.22 0.00 0.00 0.10 0.00 0.00 34.13 30.83 1d2k s GLU 171 CO 0.05 -1.00 0.19 0.71 0.02 0.00 0.00 175.26 175.23 1d2k s TYR 172 N 0.48 0.06 0.07 1.61 1.51 -1.26 -4.75 117.35 115.07 1d2k s TYR 172 Ca 0.13 -0.29 -0.31 0.00 -1.01 0.00 0.00 57.07 55.60 1d2k s TYR 172 Cb -0.22 -0.03 -0.10 0.00 -0.11 0.00 0.00 41.96 41.51 1d2k s TYR 172 CO -0.05 -0.43 1.92 -2.30 -1.11 0.00 0.00 175.55 173.58 1d2k n PRO 173 N 0.67 2.84 0.14 -1.71 -0.02 -1.26 -4.88 135.00 130.77 1d2k n PRO 173 Ca -0.19 1.04 0.01 0.00 -2.02 0.00 0.00 63.50 62.34 1d2k n PRO 173 Cb 0.59 -2.97 0.14 0.00 -0.02 0.00 0.00 33.50 31.24 1d2k n PRO 173 CO 0.00 0.00 0.00 0.93 1.98 0.00 0.00 175.50 178.41 1d2k h GLU 174 N 9.80 0.00 0.00 -0.52 5.08 -1.98 -3.47 114.58 123.50 1d2k h GLU 174 Ca -0.49 0.00 -0.01 0.00 -1.00 0.00 0.00 59.36 57.86 1d2k h GLU 174 Cb 1.23 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 30.48 1d2k h GLU 174 CO 0.94 0.58 -0.00 -0.40 -1.00 0.00 0.00 179.01 179.13 1d2k n ASP 175 N -3.48 -0.08 0.10 1.42 5.68 -1.26 -5.06 116.55 113.87 1d2k n ASP 175 Ca 0.00 -1.09 -0.12 0.00 -0.50 0.00 0.00 54.79 53.08 1d2k n ASP 175 Cb 0.67 0.15 -0.05 0.00 -1.14 0.00 0.00 41.12 40.74 1d2k n ASP 175 CO 0.00 0.00 0.00 -0.08 -1.33 0.00 0.00 177.20 175.79 1d2k h GLU 176 N 0.00 -0.37 0.12 0.11 4.57 -1.94 -0.39 114.58 116.67 1d2k h GLU 176 Ca -0.01 0.03 0.01 0.00 -1.18 0.00 0.00 59.36 58.20 1d2k h GLU 176 Cb 0.06 0.08 -0.05 0.00 -0.16 0.00 0.00 28.75 28.69 1d2k h GLU 176 CO 0.02 -0.25 -0.52 -0.22 -1.18 0.00 0.00 179.01 176.86 1d2k h LYS 177 N -0.39 -0.71 -0.85 1.92 3.64 -1.98 0.16 116.57 118.36 1d2k h LYS 177 Ca 0.03 0.05 0.11 0.00 -1.27 0.00 0.00 60.65 59.57 1d2k h LYS 177 Cb 0.42 0.16 -0.08 0.00 -0.41 0.00 0.00 32.23 32.32 1d2k h LYS 177 CO -0.13 -0.47 0.48 1.96 -2.27 0.00 0.00 179.45 179.02 1d2k h GLN 178 N -0.74 0.76 -0.54 1.90 4.20 -1.96 0.14 115.11 118.87 1d2k h GLN 178 Ca -0.01 -0.05 0.05 0.00 0.06 0.00 0.00 58.65 58.71 1d2k h GLN 178 Cb 0.74 -0.17 -0.05 0.00 0.30 0.00 0.00 27.48 28.30 1d2k h GLN 178 CO -0.28 0.50 0.26 0.00 -0.67 0.00 0.00 178.83 178.64 1d2k h ALA 179 N 1.49 0.69 -0.13 3.87 0.00 -0.34 0.15 119.26 124.99 1d2k h ALA 179 Ca 0.42 0.03 -0.19 0.00 0.00 0.00 0.00 54.91 55.17 1d2k h ALA 179 Cb 0.44 -0.05 -0.00 0.00 0.00 0.00 0.00 17.79 18.18 1d2k h ALA 179 CO -0.27 -0.10 -0.70 -0.91 0.00 0.00 0.00 179.25 177.26 1d2k h ASN 180 N 0.49 0.68 0.13 0.00 2.35 0.51 -3.04 115.58 116.70 1d2k h ASN 180 Ca 0.24 -0.42 -0.06 0.00 -0.55 0.00 0.00 56.30 55.51 1d2k h ASN 180 Cb 0.18 -0.20 -0.01 0.00 0.05 0.00 0.00 38.32 38.35 1d2k h ASN 180 CO -0.19 1.18 -0.21 0.44 -1.65 0.00 0.00 177.43 177.01 1d2k h ASP 181 N 0.41 0.14 -0.61 5.81 3.32 -0.22 -2.37 116.42 122.89 1d2k h ASP 181 Ca -0.03 -0.03 0.01 0.00 0.02 0.00 0.00 57.03 57.00 1d2k h ASP 181 Cb 1.29 -0.04 -0.03 0.00 0.22 0.00 0.00 39.33 40.77 1d2k h ASP 181 CO 0.13 0.36 0.40 0.15 -1.72 0.00 0.00 179.24 178.56 1d2k h PHE 182 N 0.13 0.75 -0.55 4.55 3.57 -0.87 0.26 116.94 124.79 1d2k h PHE 182 Ca 0.02 0.02 -0.03 0.00 3.53 0.00 0.00 57.97 61.52 1d2k h PHE 182 Cb 0.45 -0.25 -0.02 0.00 2.79 0.00 0.00 35.95 38.91 1d2k h PHE 182 CO 0.00 0.46 0.24 0.28 -2.23 0.00 0.00 178.31 177.07 1d2k h VAL 183 N 0.81 1.21 -0.49 1.41 2.07 -1.44 -0.69 116.25 119.13 1d2k h VAL 183 Ca 0.23 -0.64 -0.04 0.00 0.82 0.00 0.00 66.70 67.07 1d2k h VAL 183 Cb -0.07 0.61 -0.02 0.00 -1.52 0.00 0.00 31.29 30.28 1d2k h VAL 183 CO -0.06 0.25 0.14 -0.07 0.02 0.00 0.00 177.57 177.85 1d2k h LEU 184 N 0.75 0.68 -0.24 2.57 4.07 -1.05 -0.71 115.31 121.39 1d2k h LEU 184 Ca 0.19 -0.11 -0.04 0.00 0.08 0.00 0.00 57.88 58.00 1d2k h LEU 184 Cb 0.16 -0.18 -0.01 0.00 1.08 0.00 0.00 40.66 41.72 1d2k h LEU 184 CO -0.02 0.66 -0.01 0.25 -1.08 0.00 0.00 178.44 178.24 1d2k h LEU 185 N 0.72 0.42 -1.03 1.67 5.85 0.15 -1.29 115.31 121.81 1d2k h LEU 185 Ca 0.16 -0.32 -0.04 0.00 0.84 0.00 0.00 57.88 58.52 1d2k h LEU 185 Cb 0.24 -0.11 -0.03 0.00 0.37 0.00 0.00 40.66 41.13 1d2k h LEU 185 CO -0.01 0.65 0.24 -0.07 -0.34 0.00 0.00 178.44 178.91 1d2k h LEU 186 N 0.19 0.86 -0.60 2.25 4.07 -0.95 -1.48 115.31 119.66 1d2k h LEU 186 Ca 0.07 -0.12 -0.05 0.00 0.08 0.00 0.00 57.88 57.85 1d2k h LEU 186 Cb 0.44 -0.22 -0.03 0.00 1.08 0.00 0.00 40.66 41.93 1d2k h LEU 186 CO 0.01 0.78 0.18 0.50 -1.08 0.00 0.00 178.44 178.84 1d2k h LYS 187 N 0.92 0.93 -0.38 1.13 3.64 -0.89 -1.04 116.57 120.89 1d2k h LYS 187 Ca 0.21 -0.20 -0.03 0.00 -1.27 0.00 0.00 60.65 59.36 1d2k h LYS 187 Cb 0.20 -0.13 -0.02 0.00 -0.41 0.00 0.00 32.23 31.87 1d2k h LYS 187 CO -0.02 0.83 0.13 0.00 -2.27 0.00 0.00 179.45 178.13 1d2k h ALA 188 N 1.05 0.49 -0.45 5.00 0.00 -0.72 -2.44 119.26 122.20 1d2k h ALA 188 Ca 0.19 -0.15 -0.04 0.00 0.00 0.00 0.00 54.91 54.91 1d2k h ALA 188 Cb 0.30 -0.15 -0.02 0.00 0.00 0.00 0.00 17.79 17.92 1d2k h ALA 188 CO -0.01 0.12 0.11 0.00 0.00 0.00 0.00 179.25 179.48 1d2k h ARG 190 N 0.59 1.11 -0.15 0.00 9.65 -1.10 -0.44 114.38 124.05 1d2k h ARG 190 Ca 0.14 -0.07 -0.17 0.00 -1.10 0.00 0.00 59.98 58.78 1d2k h ARG 190 Cb 0.31 -0.25 -0.00 0.00 -1.39 0.00 0.00 29.97 28.64 1d2k h ARG 190 CO 0.00 0.74 -0.61 0.93 2.80 0.00 0.00 179.97 183.82 1d2k h GLU 191 N 1.15 0.52 -0.10 0.20 5.08 -1.27 -1.62 114.58 118.53 1d2k h GLU 191 Ca 0.37 -0.36 -0.01 0.00 -1.00 0.00 0.00 59.36 58.36 1d2k h GLU 191 Cb 0.04 0.05 -0.00 0.00 0.50 0.00 0.00 28.75 29.34 1d2k h GLU 191 CO -0.12 0.98 0.02 0.00 -1.00 0.00 0.00 179.01 178.88 1d2k h ALA 192 N 0.94 0.13 -0.86 3.43 0.00 -0.71 0.38 119.26 122.56 1d2k h ALA 192 Ca -0.01 -0.15 -0.02 0.00 0.00 0.00 0.00 54.91 54.74 1d2k h ALA 192 Cb 1.17 -0.04 -0.04 0.00 0.00 0.00 0.00 17.79 18.88 1d2k h ALA 192 CO 0.11 -0.22 0.48 -0.07 0.00 0.00 0.00 179.25 179.55 1d2k h LEU 193 N -0.07 1.07 -0.21 0.00 4.07 -1.10 -2.01 115.31 117.07 1d2k h LEU 193 Ca 0.03 -0.10 -0.04 0.00 0.08 0.00 0.00 57.88 57.86 1d2k h LEU 193 Cb 0.29 -0.27 -0.01 0.00 1.08 0.00 0.00 40.66 41.75 1d2k h LEU 193 CO 0.00 0.86 -0.03 0.44 -1.08 0.00 0.00 178.44 178.63 1d2k h ASP 194 N 1.20 0.38 -0.54 -0.43 3.32 -1.08 -2.24 116.42 117.02 1d2k h ASP 194 Ca 0.30 -0.34 0.05 0.00 0.02 0.00 0.00 57.03 57.06 1d2k h ASP 194 Cb 0.02 -0.10 -0.03 0.00 0.22 0.00 0.00 39.33 39.43 1d2k h ASP 194 CO -0.05 0.63 0.36 0.00 -1.72 0.00 0.00 179.24 178.46 1d2k h ALA 195 N 0.76 1.82 -0.31 3.45 0.00 -0.74 -0.25 119.26 123.98 1d2k h ALA 195 Ca 0.06 -0.02 -0.08 0.00 0.00 0.00 0.00 54.91 54.86 1d2k h ALA 195 Cb 0.45 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 18.09 1d2k h ALA 195 CO 0.02 0.10 -0.13 -0.92 0.00 0.00 0.00 179.25 178.32 1d2k h TYR 196 N 0.54 0.73 -0.72 0.00 5.03 -1.15 -3.01 116.97 118.38 1d2k h TYR 196 Ca 0.23 -0.17 -0.01 0.00 2.58 0.00 0.00 58.73 61.35 1d2k h TYR 196 Cb 0.22 -0.17 -0.03 0.00 1.55 0.00 0.00 36.73 38.30 1d2k h TYR 196 CO -0.00 0.85 0.40 0.77 -1.32 0.00 0.00 178.16 178.86 1d2k h SER 197 N 0.40 0.90 -0.93 -2.11 0.02 -0.65 -2.77 113.55 108.41 1d2k h SER 197 Ca 0.07 -0.09 0.12 0.00 -0.84 0.00 0.00 61.79 61.05 1d2k h SER 197 Cb 0.64 -0.23 -0.07 0.00 0.14 0.00 0.00 62.40 62.88 1d2k h SER 197 CO 0.04 0.73 0.59 0.00 -1.14 0.00 0.00 176.83 177.06 1d2k h ALA 198 N 1.20 1.68 0.00 3.77 0.00 -1.02 0.24 119.26 125.14 1d2k h ALA 198 Ca 0.25 0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.18 1d2k h ALA 198 Cb 0.03 -0.17 0.00 0.00 0.00 0.00 0.00 17.79 17.65 1d2k h ALA 198 CO -0.04 0.10 0.00 1.63 0.00 0.00 0.00 179.25 180.94 1d2k n LYS 199 N -4.57 0.19 -3.23 0.00 5.02 -1.05 -3.70 118.16 110.82 1d2k n LYS 199 Ca 0.17 0.09 -0.24 0.00 -2.02 0.00 0.00 58.31 56.31 1d2k n LYS 199 Cb 0.39 -1.50 -0.07 0.00 -0.02 0.00 0.00 35.03 33.83 1d2k n LYS 199 CO 0.00 0.00 0.00 0.72 -0.52 0.00 0.00 177.40 177.60 1d2k n HIS 200 N -1.38 0.60 -0.27 2.13 8.25 0.84 -5.02 115.22 120.38 1d2k n HIS 200 Ca 0.09 -3.71 -0.05 0.00 -0.26 0.00 0.00 57.72 53.78 1d2k n HIS 200 Cb 0.22 -0.40 -0.00 0.00 1.12 0.00 0.00 29.99 30.92 1d2k n HIS 200 CO 0.00 0.00 0.00 -1.35 0.64 0.00 0.00 176.34 175.63 1d2k h PRO 201 N 3.91 -0.12 -0.02 -0.41 0.11 -1.61 0.33 132.00 134.20 1d2k h PRO 201 Ca 0.10 0.01 0.00 0.00 0.11 0.00 0.00 66.00 66.22 1d2k h PRO 201 Cb 0.83 0.03 0.00 0.00 0.11 0.00 0.00 31.00 31.97 1d2k h PRO 201 CO 0.55 -0.08 0.00 0.09 -0.21 0.00 0.00 178.00 178.35 1d2k n ASN 202 N -5.42 0.13 -3.62 -2.05 4.13 -1.26 -4.82 115.26 102.34 1d2k n ASN 202 Ca 0.05 -1.79 -0.15 0.00 1.68 0.00 0.00 54.58 54.37 1d2k n ASN 202 Cb 0.36 -0.01 0.08 0.00 -1.54 0.00 0.00 39.78 38.67 1d2k n ASN 202 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 1d2k n GLY 203 N 0.64 0.51 3.93 7.41 0.00 0.10 -5.10 105.19 112.69 1d2k n GLY 203 Ca 0.06 -1.98 -0.26 0.00 0.00 0.00 0.00 46.02 43.84 1d2k n GLY 203 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1d2k s LYS 204 N -4.22 1.87 0.19 1.61 -0.14 -1.26 -5.07 119.74 112.73 1d2k s LYS 204 Ca 0.44 -0.33 -0.05 0.00 -1.36 0.00 0.00 55.97 54.67 1d2k s LYS 204 Cb -0.02 -2.11 -0.05 0.00 -1.68 0.00 0.00 37.83 33.96 1d2k s LYS 204 CO 0.29 -1.48 0.43 0.15 -0.76 0.00 0.00 175.35 173.98 1d2k s LYS 205 N -5.37 3.62 0.09 1.68 1.02 -1.26 -4.82 119.74 114.70 1d2k s LYS 205 Ca 0.63 -0.08 0.04 0.00 0.02 0.00 0.00 55.97 56.59 1d2k s LYS 205 Cb -0.09 -2.79 -0.04 0.00 -0.52 0.00 0.00 37.83 34.39 1d2k s LYS 205 CO 0.46 0.39 0.03 -0.06 -0.92 0.00 0.00 175.35 175.26 1d2k s PHE 206 N -1.79 3.07 0.24 3.18 0.40 -1.26 -4.99 117.98 116.83 1d2k s PHE 206 Ca 0.42 0.02 -0.09 0.00 -0.60 0.00 0.00 56.93 56.67 1d2k s PHE 206 Cb -0.12 -1.57 -0.07 0.00 0.51 0.00 0.00 43.02 41.77 1d2k s PHE 206 CO 0.26 0.50 0.56 -0.51 0.70 0.00 0.00 175.22 176.73 1d2k s LEU 207 N -2.36 4.14 -0.07 -0.37 2.01 -0.32 -4.96 118.68 116.75 1d2k s LEU 207 Ca 0.27 0.91 -0.02 0.00 0.01 0.00 0.00 54.13 55.31 1d2k s LEU 207 Cb -0.12 -3.68 0.03 0.00 0.01 0.00 0.00 46.19 42.43 1d2k s LEU 207 CO 0.20 -0.10 0.02 -0.22 1.01 0.00 0.00 176.35 177.26 1d2k s LEU 208 N -2.93 0.50 0.10 1.79 2.96 -1.26 -1.05 118.68 118.80 1d2k s LEU 208 Ca 0.47 -0.07 -0.00 0.00 -0.22 0.00 0.00 54.13 54.30 1d2k s LEU 208 Cb -0.11 -0.38 -0.04 0.00 0.50 0.00 0.00 46.19 46.16 1d2k s LEU 208 CO 0.22 -0.21 -0.00 -0.89 -1.32 0.00 0.00 176.35 174.15 1d2k s THR 209 N 2.01 0.31 0.05 3.68 2.01 -0.50 -1.32 115.64 121.88 1d2k s THR 209 Ca 0.05 -1.88 -0.04 0.00 0.31 0.00 0.00 61.69 60.12 1d2k s THR 209 Cb -0.12 -1.80 -0.02 0.00 0.01 0.00 0.00 72.50 70.57 1d2k s THR 209 CO -0.05 -0.73 0.06 0.27 -0.69 0.00 0.00 174.62 173.48 1d2k s ILE 210 N -3.89 0.16 -0.21 1.82 -4.36 -1.25 -0.58 121.20 112.89 1d2k s ILE 210 Ca 0.16 -1.30 -0.15 0.00 -0.26 0.00 0.00 60.65 59.10 1d2k s ILE 210 Cb 0.07 -1.09 -0.04 0.00 1.25 0.00 0.00 42.46 42.65 1d2k s ILE 210 CO -0.03 -0.72 0.34 0.00 0.24 0.00 0.00 174.94 174.77 1d2k s ALA 211 N -3.09 3.57 0.10 2.27 0.00 -1.16 -1.35 121.76 122.11 1d2k s ALA 211 Ca -0.01 -0.61 0.09 0.00 0.00 0.00 0.00 51.96 51.44 1d2k s ALA 211 Cb 0.02 -2.55 -0.04 0.00 0.00 0.00 0.00 23.12 20.54 1d2k s ALA 211 CO -0.07 -0.26 -0.20 -1.54 0.00 0.00 0.00 175.76 173.69 1d2k s SER 212 N 1.02 3.73 0.54 0.00 1.04 -0.23 -4.60 113.70 115.20 1d2k s SER 212 Ca 0.16 -0.58 -0.20 0.00 0.48 0.00 0.00 55.95 55.82 1d2k s SER 212 Cb -0.14 -0.48 -0.06 0.00 0.10 0.00 0.00 66.02 65.44 1d2k s SER 212 CO 0.07 0.19 1.16 -2.16 0.98 0.00 0.00 173.24 173.48 1d2k s PRO 213 N -1.97 3.33 0.00 4.02 0.04 -1.26 -1.06 135.00 138.10 1d2k s PRO 213 Ca 0.16 1.70 0.17 0.00 0.04 0.00 0.00 61.00 63.07 1d2k s PRO 213 Cb -0.10 -2.06 0.08 0.00 0.04 0.00 0.00 34.50 32.46 1d2k s PRO 213 CO 0.08 -0.88 0.97 0.00 0.04 0.00 0.00 177.00 177.21 1d2k n ALA 214 N -1.22 2.73 -2.66 8.56 0.00 -1.26 -4.74 120.51 121.92 1d2k n ALA 214 Ca 0.11 -0.60 -0.39 0.00 0.00 0.00 0.00 53.44 52.57 1d2k n ALA 214 Cb 0.50 -0.57 -0.07 0.00 0.00 0.00 0.00 19.45 19.31 1d2k n ALA 214 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.50 177.70 1d2k s GLY 215 N -1.59 2.06 0.24 0.00 0.00 -1.26 -4.66 107.32 102.11 1d2k s GLY 215 Ca 0.17 -0.48 -0.08 0.00 0.00 0.00 0.00 44.72 44.33 1d2k s GLY 215 CO 0.28 0.97 1.64 -2.55 0.00 0.00 0.00 173.10 173.44 1d2k h PRO 216 N 7.47 0.09 -0.00 2.90 0.11 -1.98 -0.01 132.00 140.58 1d2k h PRO 216 Ca -0.34 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.76 1d2k h PRO 216 Cb 1.16 -0.02 -0.00 0.00 0.11 0.00 0.00 31.00 32.25 1d2k h PRO 216 CO 0.72 0.06 0.00 1.96 -0.21 0.00 0.00 178.00 180.54 1d2k h GLN 217 N 0.09 0.00 0.05 1.05 1.08 -1.99 0.95 115.11 116.34 1d2k h GLN 217 Ca 0.38 0.00 -0.33 0.00 -1.45 0.00 0.00 58.65 57.26 1d2k h GLN 217 Cb 0.66 0.00 -0.03 0.00 -0.05 0.00 0.00 27.48 28.05 1d2k h GLN 217 CO -0.65 0.00 -1.81 0.09 -0.95 0.00 0.00 178.83 175.51 1d2k n ASN 218 N -3.62 2.00 0.17 1.46 5.03 -0.09 -4.45 115.26 115.75 1d2k n ASN 218 Ca -0.03 0.27 0.06 0.00 0.87 0.00 0.00 54.58 55.76 1d2k n ASN 218 Cb 0.08 -0.86 0.08 0.00 -1.02 0.00 0.00 39.78 38.06 1d2k n ASN 218 CO 0.00 0.00 0.00 0.10 -1.83 0.00 0.00 177.26 175.53 1d2k h TYR 219 N -0.45 0.00 0.00 3.10 -0.00 -1.16 -3.26 116.97 115.20 1d2k h TYR 219 Ca -0.44 0.00 0.00 0.00 -0.00 0.00 0.00 58.73 58.29 1d2k h TYR 219 Cb 1.70 0.00 0.00 0.00 -0.00 0.00 0.00 36.73 38.43 1d2k h TYR 219 CO 0.07 0.29 0.00 0.09 -0.00 0.00 0.00 178.16 178.60 1d2k n ASN 220 N -3.15 0.57 -1.20 0.10 3.02 0.31 -1.37 115.26 113.55 1d2k n ASN 220 Ca 0.02 0.71 0.12 0.00 -0.03 0.00 0.00 54.58 55.40 1d2k n ASN 220 Cb 0.65 -0.80 0.23 0.00 -0.61 0.00 0.00 39.78 39.25 1d2k n ASN 220 CO 0.00 0.00 0.00 2.29 -2.62 0.00 0.00 177.26 176.93 1d2k n LYS 221 N -2.21 2.55 -3.84 3.52 2.85 -1.23 -4.94 118.16 114.87 1d2k n LYS 221 Ca 0.00 -2.36 -0.37 0.00 -1.05 0.00 0.00 58.31 54.54 1d2k n LYS 221 Cb 0.12 -1.53 -0.06 0.00 -0.65 0.00 0.00 35.03 32.91 1d2k n LYS 221 CO 0.00 0.00 0.00 -0.51 -0.05 0.00 0.00 177.40 176.84 1d2k s LEU 222 N -1.42 4.39 -1.38 -5.58 1.43 -0.47 -4.78 118.68 110.87 1d2k s LEU 222 Ca 0.41 0.50 -0.11 0.00 -1.03 0.00 0.00 54.13 53.90 1d2k s LEU 222 Cb 0.23 -2.22 0.09 0.00 0.03 0.00 0.00 46.19 44.33 1d2k s LEU 222 CO 0.32 0.38 2.15 0.29 0.23 0.00 0.00 176.35 179.72 1d2k n LYS 223 N 1.79 3.44 -0.23 1.70 4.76 -1.26 -4.82 118.16 123.53 1d2k n LYS 223 Ca -0.18 -3.06 -0.09 0.00 -2.87 0.00 0.00 58.31 52.11 1d2k n LYS 223 Cb 0.54 -3.02 -0.05 0.00 -1.84 0.00 0.00 35.03 30.66 1d2k n LYS 223 CO 0.00 0.00 0.00 -0.07 -1.37 0.00 0.00 177.40 175.96 1d2k h LEU 224 N 8.36 -1.63 -0.73 -0.35 3.38 -1.90 -0.60 115.31 121.84 1d2k h LEU 224 Ca 0.53 0.26 0.06 0.00 0.09 0.00 0.00 57.88 58.82 1d2k h LEU 224 Cb 0.57 0.73 -0.06 0.00 0.09 0.00 0.00 40.66 42.00 1d2k h LEU 224 CO 1.73 -0.33 0.42 0.00 0.09 0.00 0.00 178.44 180.35 1d2k h ALA 225 N 0.54 0.99 -0.48 1.53 0.00 -1.88 -0.32 119.26 119.64 1d2k h ALA 225 Ca 0.17 0.01 -0.08 0.00 0.00 0.00 0.00 54.91 55.01 1d2k h ALA 225 Cb 0.55 -0.15 -0.02 0.00 0.00 0.00 0.00 17.79 18.17 1d2k h ALA 225 CO -0.72 0.11 -0.03 1.49 0.00 0.00 0.00 179.25 180.10 1d2k h GLU 226 N 0.77 0.87 -0.59 0.00 4.57 -1.74 -3.10 114.58 115.35 1d2k h GLU 226 Ca 0.33 -0.29 -0.05 0.00 -1.18 0.00 0.00 59.36 58.16 1d2k h GLU 226 Cb 0.19 -0.07 -0.02 0.00 -0.16 0.00 0.00 28.75 28.69 1d2k h GLU 226 CO -0.18 0.92 0.17 0.52 -1.18 0.00 0.00 179.01 179.25 1d2k h MET 227 N 0.72 0.93 -0.29 1.92 2.86 -0.62 -3.06 114.93 117.39 1d2k h MET 227 Ca 0.13 -0.21 0.08 0.00 -2.06 0.00 0.00 59.70 57.64 1d2k h MET 227 Cb 0.55 -0.13 -0.01 0.00 0.06 0.00 0.00 31.60 32.07 1d2k h MET 227 CO 0.03 0.85 0.38 0.22 1.06 0.00 0.00 176.91 179.45 1d2k h ASP 228 N 0.85 0.00 0.06 1.22 3.58 -0.99 -1.40 116.42 119.73 1d2k h ASP 228 Ca 0.19 0.00 -0.02 0.00 0.42 0.00 0.00 57.03 57.62 1d2k h ASP 228 Cb 0.32 0.00 -0.00 0.00 1.72 0.00 0.00 39.33 41.36 1d2k h ASP 228 CO -0.00 0.00 -0.07 0.11 -2.88 0.00 0.00 179.24 176.40 1d2k h LYS 229 N 0.00 0.05 0.00 0.28 1.57 -1.61 -2.94 116.57 113.91 1d2k h LYS 229 Ca 0.14 -0.01 0.00 0.00 -1.87 0.00 0.00 60.65 58.91 1d2k h LYS 229 Cb 0.89 -0.01 0.00 0.00 0.08 0.00 0.00 32.23 33.19 1d2k h LYS 229 CO -0.00 0.12 -1.15 0.66 -0.57 0.00 0.00 179.45 178.51 1d2k n TYR 230 N -4.43 0.03 -3.56 -1.35 4.02 -0.53 -4.98 117.16 106.36 1d2k n TYR 230 Ca -0.02 0.01 -0.34 0.00 -0.01 0.00 0.00 57.90 57.54 1d2k n TYR 230 Cb 0.17 -0.16 -0.05 0.00 -0.02 0.00 0.00 39.34 39.27 1d2k n TYR 230 CO 0.00 0.00 0.00 -0.51 -1.01 0.00 0.00 176.86 175.34 1d2k s LEU 231 N -3.40 4.33 -0.02 7.72 1.02 -1.11 -4.73 118.68 122.49 1d2k s LEU 231 Ca 0.05 0.80 -0.01 0.00 0.02 0.00 0.00 54.13 54.99 1d2k s LEU 231 Cb 0.16 -3.09 -0.27 0.00 0.02 0.00 0.00 46.19 43.01 1d2k s LEU 231 CO 0.86 0.14 0.76 0.44 0.02 0.00 0.00 176.35 178.56 1d2k h ASP 232 N 3.53 0.32 -4.66 2.29 5.19 -1.51 -3.49 116.42 118.09 1d2k h ASP 232 Ca -0.49 -0.51 0.12 0.00 -0.62 0.00 0.00 57.03 55.54 1d2k h ASP 232 Cb 1.19 -0.10 -0.15 0.00 0.18 0.00 0.00 39.33 40.44 1d2k h ASP 232 CO 0.67 1.43 0.51 0.72 -3.12 0.00 0.00 179.24 179.46 1d2k s PHE 233 N -2.61 -0.32 -0.11 4.55 -0.12 -1.26 -4.89 117.98 113.23 1d2k s PHE 233 Ca -0.10 0.19 -0.01 0.00 -0.05 0.00 0.00 56.93 56.95 1d2k s PHE 233 Cb 0.07 0.54 -0.03 0.00 -0.63 0.00 0.00 43.02 42.97 1d2k s PHE 233 CO 0.83 -0.54 -0.05 -1.58 -0.05 0.00 0.00 175.22 173.84 1d2k s TRP 234 N -3.09 3.00 -0.62 3.49 0.52 0.83 -3.85 118.94 119.22 1d2k s TRP 234 Ca 0.06 -0.10 -0.10 0.00 0.02 0.00 0.00 56.10 55.98 1d2k s TRP 234 Cb -0.01 -1.82 0.16 0.00 -1.15 0.00 0.00 33.47 30.65 1d2k s TRP 234 CO -0.08 0.19 0.51 -0.80 0.02 0.00 0.00 176.95 176.79 1d2k s ASN 235 N -0.33 5.97 -0.10 2.95 0.01 -0.46 -0.15 114.94 122.83 1d2k s ASN 235 Ca 0.05 -2.33 -0.29 0.00 -0.71 0.00 0.00 52.86 49.58 1d2k s ASN 235 Cb -0.12 -2.06 -0.04 0.00 0.41 0.00 0.00 41.25 39.44 1d2k s ASN 235 CO 0.02 -0.61 1.50 -0.22 -1.51 0.00 0.00 177.10 176.29 1d2k s LEU 236 N 0.73 4.26 -1.32 0.60 2.96 0.46 -1.07 118.68 125.30 1d2k s LEU 236 Ca 0.11 2.01 -0.13 0.00 -0.22 0.00 0.00 54.13 55.91 1d2k s LEU 236 Cb -0.21 -3.54 0.12 0.00 0.50 0.00 0.00 46.19 43.06 1d2k s LEU 236 CO -0.03 -0.87 1.88 0.23 -1.32 0.00 0.00 176.35 176.23 1d2k n MET 237 N 6.94 3.28 -1.64 1.98 2.81 -0.22 0.20 117.12 130.48 1d2k n MET 237 Ca 0.16 -3.28 -0.40 0.00 -1.81 0.00 0.00 57.70 52.37 1d2k n MET 237 Cb 0.44 -3.15 -0.01 0.00 -0.71 0.00 0.00 33.22 29.79 1d2k n MET 237 CO 0.00 0.00 0.00 0.00 1.51 0.00 0.00 175.97 177.48 1d2k n ALA 238 N 5.59 6.58 -3.72 3.04 0.00 -1.25 -4.10 120.51 126.64 1d2k n ALA 238 Ca 0.44 -3.79 -0.09 0.00 0.00 0.00 0.00 53.44 50.00 1d2k n ALA 238 Cb 0.40 -3.32 0.01 0.00 0.00 0.00 0.00 19.45 16.54 1d2k n ALA 238 CO 0.00 0.00 0.00 1.52 0.00 0.00 0.00 177.50 179.02 1d2k s TYR 239 N 1.94 0.17 -1.41 0.00 -0.85 -1.26 -4.64 117.35 111.30 1d2k s TYR 239 Ca 0.57 -0.77 -0.02 0.00 -0.52 0.00 0.00 57.07 56.33 1d2k s TYR 239 Cb 0.16 0.72 0.00 0.00 0.38 0.00 0.00 41.96 43.22 1d2k s TYR 239 CO -0.07 -1.47 0.30 -0.25 -1.52 0.00 0.00 175.55 172.54 1d2k n ASP 240 N -1.25 -5.34 0.23 -0.18 10.43 -0.44 -4.89 116.55 115.10 1d2k n ASP 240 Ca -0.07 -0.15 0.10 0.00 2.57 0.00 0.00 54.79 57.24 1d2k n ASP 240 Cb 0.60 -4.28 0.52 0.00 1.84 0.00 0.00 41.12 39.80 1d2k n ASP 240 CO 0.00 0.00 0.00 -0.26 -1.07 0.00 0.00 177.20 175.87 1d2k h PHE 241 N -0.68 0.00 -4.15 1.24 0.04 -1.12 -3.44 116.94 108.82 1d2k h PHE 241 Ca -0.44 0.00 -0.12 0.00 2.80 0.00 0.00 57.97 60.21 1d2k h PHE 241 Cb 1.31 0.00 -0.15 0.00 2.20 0.00 0.00 35.95 39.32 1d2k h PHE 241 CO 0.46 0.23 -0.60 -1.54 -0.60 0.00 0.00 178.31 176.26 1d2k s SER 242 N -6.28 0.38 0.00 2.17 1.04 -1.26 -4.72 113.70 105.03 1d2k s SER 242 Ca -0.01 -0.93 0.00 0.00 0.48 0.00 0.00 55.95 55.49 1d2k s SER 242 Cb 0.12 0.24 0.00 0.00 0.10 0.00 0.00 66.02 66.48 1d2k s SER 242 CO 0.63 -0.64 0.00 0.61 0.98 0.00 0.00 173.24 174.82 1d2k n GLY 243 N 0.05 -0.74 0.33 7.32 0.00 -1.26 -4.79 105.19 106.10 1d2k n GLY 243 Ca -0.13 -0.67 0.18 0.00 0.00 0.00 0.00 46.02 45.40 1d2k n GLY 243 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 1d2k h SER 244 N 0.00 0.00 0.59 1.61 4.64 -1.95 -1.20 113.55 117.24 1d2k h SER 244 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1d2k h SER 244 Cb 0.00 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.09 1d2k h SER 244 CO 0.00 0.00 0.00 -2.67 -0.87 0.00 0.00 176.83 173.29 1d2k n TRP 245 N -3.50 0.00 -2.49 4.77 2.14 -1.26 -4.88 117.44 112.23 1d2k n TRP 245 Ca -0.01 0.00 -0.23 0.00 2.07 0.00 0.00 57.50 59.33 1d2k n TRP 245 Cb 0.25 -0.36 0.08 0.00 -0.81 0.00 0.00 31.31 30.47 1d2k n TRP 245 CO 0.00 0.00 0.00 -0.51 2.07 0.00 0.00 177.69 179.25 1d2k s ASP 246 N -2.72 4.73 -0.10 -0.67 -0.00 -0.45 -5.02 116.67 112.43 1d2k s ASP 246 Ca 0.19 -0.02 0.13 0.00 -0.00 0.00 0.00 52.55 52.86 1d2k s ASP 246 Cb 0.16 -0.59 -0.19 0.00 -0.00 0.00 0.00 42.92 42.30 1d2k s ASP 246 CO 0.40 -1.58 0.14 0.29 -0.00 0.00 0.00 175.17 174.42 1d2k n LYS 247 N -2.72 1.29 -4.44 8.23 4.76 -1.26 -4.96 118.16 119.06 1d2k n LYS 247 Ca 0.11 -0.05 -0.29 0.00 -2.87 0.00 0.00 58.31 55.21 1d2k n LYS 247 Cb 0.60 -1.36 -0.13 0.00 -1.84 0.00 0.00 35.03 32.30 1d2k n LYS 247 CO 0.00 0.00 0.00 0.08 -1.37 0.00 0.00 177.40 176.11 1d2k s VAL 248 N -2.58 2.20 0.32 -0.18 1.01 -1.26 -2.94 120.40 116.97 1d2k s VAL 248 Ca -0.07 -1.70 -0.27 0.00 0.00 0.00 0.00 61.98 59.95 1d2k s VAL 248 Cb 0.06 -1.94 -0.10 0.00 0.00 0.00 0.00 36.38 34.40 1d2k s VAL 248 CO 0.60 0.11 0.97 -0.94 0.00 0.00 0.00 175.10 175.84 1d2k s SER 249 N -1.95 7.30 0.34 3.32 1.04 -0.10 -4.85 113.70 118.80 1d2k s SER 249 Ca 0.13 1.92 -0.08 0.00 0.48 0.00 0.00 55.95 58.40 1d2k s SER 249 Cb -0.10 -2.59 0.02 0.00 0.10 0.00 0.00 66.02 63.45 1d2k s SER 249 CO 0.05 -0.10 0.57 -0.83 0.98 0.00 0.00 173.24 173.91 1d2k s GLY 250 N -1.49 1.01 -0.06 7.32 0.00 -1.26 -0.25 107.32 112.59 1d2k s GLY 250 Ca 0.49 -1.19 -0.29 0.00 0.00 0.00 0.00 44.72 43.74 1d2k s GLY 250 CO 0.27 -0.74 0.95 0.30 0.00 0.00 0.00 173.10 173.88 1d2k s HIS 251 N -3.01 3.57 -2.14 1.90 3.76 -0.42 -4.84 115.29 114.10 1d2k s HIS 251 Ca 0.25 1.57 0.27 0.00 -0.15 0.00 0.00 55.06 57.00 1d2k s HIS 251 Cb -0.02 -3.11 0.88 0.00 1.11 0.00 0.00 32.58 31.44 1d2k s HIS 251 CO 0.16 -0.11 1.64 0.00 -0.85 0.00 0.00 174.74 175.58 1d2k n MET 252 N 4.45 1.27 -0.97 1.40 3.85 -1.26 -4.28 117.12 121.58 1d2k n MET 252 Ca 0.06 -0.76 -0.03 0.00 -1.00 0.00 0.00 57.70 55.98 1d2k n MET 252 Cb 0.50 -1.48 -0.03 0.00 -1.05 0.00 0.00 33.22 31.15 1d2k n MET 252 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 175.97 174.84 1d2k n SER 253 N -0.20 -0.27 -4.74 3.17 3.41 -1.26 -0.60 113.62 113.12 1d2k n SER 253 Ca 0.15 -1.80 -0.37 0.00 -0.26 0.00 0.00 58.87 56.59 1d2k n SER 253 Cb 0.36 0.06 0.05 0.00 -0.26 0.00 0.00 64.21 64.42 1d2k n SER 253 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 175.04 175.42 1d2k s ASN 254 N -1.03 5.07 -0.11 4.04 4.22 -1.26 -4.82 114.94 121.06 1d2k s ASN 254 Ca 0.08 2.64 -0.21 0.00 -2.14 0.00 0.00 52.86 53.22 1d2k s ASN 254 Cb 0.09 -2.62 -0.18 0.00 1.28 0.00 0.00 41.25 39.81 1d2k s ASN 254 CO -0.04 -1.69 0.65 0.58 -2.04 0.00 0.00 177.10 174.56 1d2k h VAL 255 N 1.08 1.21 -2.44 3.54 2.07 -1.53 -1.09 116.25 119.09 1d2k h VAL 255 Ca -0.51 -1.76 -0.57 0.00 0.82 0.00 0.00 66.70 64.68 1d2k h VAL 255 Cb 1.31 2.22 -0.10 0.00 -1.52 0.00 0.00 31.29 33.20 1d2k h VAL 255 CO 0.56 0.39 -0.65 -0.36 0.02 0.00 0.00 177.57 177.52 1d2k s PHE 256 N -2.42 2.74 0.67 1.57 0.40 -1.18 -0.76 117.98 119.00 1d2k s PHE 256 Ca -0.13 -0.20 -0.11 0.00 -0.60 0.00 0.00 56.93 55.89 1d2k s PHE 256 Cb -0.01 -1.25 -0.01 0.00 0.51 0.00 0.00 43.02 42.26 1d2k s PHE 256 CO 0.50 0.58 1.05 -2.14 0.70 0.00 0.00 175.22 175.92 1d2k s PRO 257 N -3.43 3.13 -0.17 0.24 0.02 -1.26 -4.81 135.00 128.72 1d2k s PRO 257 Ca 0.30 0.79 -0.15 0.00 0.02 0.00 0.00 61.00 61.95 1d2k s PRO 257 Cb -0.07 -2.03 -0.04 0.00 0.02 0.00 0.00 34.50 32.38 1d2k s PRO 257 CO 0.19 -0.91 0.36 0.45 -0.33 0.00 0.00 177.00 176.76 1d2k s SER 258 N -4.03 6.47 -0.15 2.53 0.15 -1.26 -4.93 113.70 112.48 1d2k s SER 258 Ca 0.57 0.56 -0.28 0.00 0.70 0.00 0.00 55.95 57.50 1d2k s SER 258 Cb -0.12 -2.22 -0.25 0.00 -1.71 0.00 0.00 66.02 61.72 1d2k s SER 258 CO 0.54 0.02 0.67 0.74 1.20 0.00 0.00 173.24 176.41 1d2k h THR 259 N 4.82 1.64 -0.18 6.45 2.02 -1.96 -3.19 112.91 122.51 1d2k h THR 259 Ca -0.39 -2.31 -0.09 0.00 0.77 0.00 0.00 66.41 64.39 1d2k h THR 259 Cb 1.17 3.18 -0.01 0.00 -1.74 0.00 0.00 68.15 70.74 1d2k h THR 259 CO 0.74 0.56 -0.27 0.71 0.37 0.00 0.00 175.52 177.63 1d2k h THR 260 N -1.00 1.26 -2.28 3.16 1.35 -2.06 -3.34 112.91 109.99 1d2k h THR 260 Ca -0.06 -1.23 -0.59 0.00 -0.55 0.00 0.00 66.41 63.99 1d2k h THR 260 Cb 1.04 1.42 -0.40 0.00 -1.73 0.00 0.00 68.15 68.48 1d2k h THR 260 CO -0.03 0.38 -0.85 1.17 -0.25 0.00 0.00 175.52 175.93 1d2k n LYS 261 N -4.13 1.31 -0.24 4.72 4.81 -1.26 -4.98 118.16 118.39 1d2k n LYS 261 Ca -0.01 -3.82 0.04 0.00 -0.87 0.00 0.00 58.31 53.65 1d2k n LYS 261 Cb 0.39 -1.76 0.15 0.00 0.02 0.00 0.00 35.03 33.84 1d2k n LYS 261 CO 0.00 0.00 0.00 -1.35 1.17 0.00 0.00 177.40 177.22 1d2k h PRO 262 N 4.56 0.19 0.00 1.64 0.11 -1.69 -1.98 132.00 134.84 1d2k h PRO 262 Ca 0.16 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 66.26 1d2k h PRO 262 Cb 0.80 -0.04 0.00 0.00 0.11 0.00 0.00 31.00 31.87 1d2k h PRO 262 CO 0.59 0.13 0.13 1.05 -0.21 0.00 0.00 178.00 179.69 1d2k h GLU 263 N 0.20 0.00 -0.00 1.05 9.09 -1.93 -1.06 114.58 121.93 1d2k h GLU 263 Ca 0.39 0.00 0.00 0.00 0.05 0.00 0.00 59.36 59.80 1d2k h GLU 263 Cb 0.66 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 27.76 1d2k h GLU 263 CO -0.53 0.00 -0.02 -1.13 0.05 0.00 0.00 179.01 177.38 1d2k n SER 264 N -2.93 0.03 -3.53 3.06 3.41 -0.74 -4.45 113.62 108.46 1d2k n SER 264 Ca -0.02 0.13 -0.28 0.00 -0.26 0.00 0.00 58.87 58.43 1d2k n SER 264 Cb 0.18 -0.36 -0.11 0.00 -0.26 0.00 0.00 64.21 63.66 1d2k n SER 264 CO 0.00 0.00 0.00 0.42 -0.16 0.00 0.00 175.04 175.30 1d2k s THR 265 N -2.77 0.82 0.37 6.66 -4.23 -0.40 -1.30 115.64 114.78 1d2k s THR 265 Ca 0.21 -2.62 0.26 0.00 -1.18 0.00 0.00 61.69 58.37 1d2k s THR 265 Cb 0.20 -1.57 0.27 0.00 1.34 0.00 0.00 72.50 72.74 1d2k s THR 265 CO 0.50 -1.08 2.03 1.55 -0.54 0.00 0.00 174.62 177.07 1d2k h PRO 266 N 6.14 0.00 -4.83 3.99 0.13 -1.78 -3.45 132.00 132.20 1d2k h PRO 266 Ca 0.15 0.00 -0.42 0.00 -0.87 0.00 0.00 66.00 64.86 1d2k h PRO 266 Cb 0.91 0.00 -0.14 0.00 0.13 0.00 0.00 31.00 31.90 1d2k h PRO 266 CO 0.41 0.15 -0.52 -0.06 -0.23 0.00 0.00 178.00 177.74 1d2k s PHE 267 N -4.13 1.61 -0.14 1.56 0.40 -1.26 -5.14 117.98 110.89 1d2k s PHE 267 Ca -0.02 -1.58 -0.29 0.00 -0.60 0.00 0.00 56.93 54.44 1d2k s PHE 267 Cb 0.13 -0.69 0.07 0.00 0.51 0.00 0.00 43.02 43.03 1d2k s PHE 267 CO 0.60 -0.79 0.69 -1.54 0.70 0.00 0.00 175.22 174.88 1d2k s SER 268 N -3.33 -0.69 0.19 1.36 1.04 -1.26 -4.71 113.70 106.30 1d2k s SER 268 Ca 0.40 1.00 -0.01 0.00 0.48 0.00 0.00 55.95 57.83 1d2k s SER 268 Cb 0.04 0.91 0.12 0.00 0.10 0.00 0.00 66.02 67.18 1d2k s SER 268 CO 0.23 -0.47 1.48 0.77 0.98 0.00 0.00 173.24 176.24 1d2k h SER 269 N 3.80 0.47 -0.62 7.02 4.64 -0.57 -3.25 113.55 125.03 1d2k h SER 269 Ca -0.28 -0.28 0.09 0.00 -0.47 0.00 0.00 61.79 60.85 1d2k h SER 269 Cb 1.15 -0.14 -0.07 0.00 -0.31 0.00 0.00 62.40 63.03 1d2k h SER 269 CO 0.26 1.00 0.25 -0.78 -0.87 0.00 0.00 176.83 176.68 1d2k h ASP 270 N 0.29 0.27 -0.57 4.97 1.82 -1.21 -0.03 116.42 121.97 1d2k h ASP 270 Ca -0.02 0.07 0.09 0.00 -0.39 0.00 0.00 57.03 56.78 1d2k h ASP 270 Cb 1.21 0.04 -0.07 0.00 0.68 0.00 0.00 39.33 41.19 1d2k h ASP 270 CO 0.11 0.16 0.21 0.50 -1.61 0.00 0.00 179.24 178.61 1d2k h LYS 271 N 0.44 0.38 -0.42 0.28 1.63 -1.78 -1.37 116.57 115.73 1d2k h LYS 271 Ca 0.31 -0.02 -0.08 0.00 -0.85 0.00 0.00 60.65 60.01 1d2k h LYS 271 Cb 0.37 -0.08 -0.01 0.00 -0.60 0.00 0.00 32.23 31.91 1d2k h LYS 271 CO -0.30 0.25 -0.06 0.00 -3.45 0.00 0.00 179.45 175.89 1d2k h ALA 272 N 1.39 0.57 -0.30 5.00 0.00 -1.30 -2.42 119.26 122.21 1d2k h ALA 272 Ca 0.28 -0.30 0.01 0.00 0.00 0.00 0.00 54.91 54.91 1d2k h ALA 272 Cb 0.34 -0.15 -0.02 0.00 0.00 0.00 0.00 17.79 17.96 1d2k h ALA 272 CO -0.29 0.41 0.17 0.28 0.00 0.00 0.00 179.25 179.83 1d2k h VAL 273 N 0.61 1.04 -0.50 0.00 2.07 -0.55 -1.04 116.25 117.88 1d2k h VAL 273 Ca 0.11 -0.12 -0.00 0.00 0.82 0.00 0.00 66.70 67.51 1d2k h VAL 273 Cb 0.57 0.65 -0.02 0.00 -1.52 0.00 0.00 31.29 30.97 1d2k h VAL 273 CO 0.03 0.07 0.30 0.11 0.02 0.00 0.00 177.57 178.10 1d2k h LYS 274 N 0.36 0.68 -0.49 1.57 1.57 -1.26 -1.48 116.57 117.52 1d2k h LYS 274 Ca 0.12 -0.06 -0.07 0.00 -1.87 0.00 0.00 60.65 58.76 1d2k h LYS 274 Cb -0.01 -0.14 -0.02 0.00 0.08 0.00 0.00 32.23 32.14 1d2k h LYS 274 CO -0.05 0.50 0.03 -0.44 -0.57 0.00 0.00 179.45 178.91 1d2k h ASP 275 N 0.67 0.75 -0.08 0.86 3.45 -1.23 0.42 116.42 121.26 1d2k h ASP 275 Ca 0.18 -0.17 -0.01 0.00 0.43 0.00 0.00 57.03 57.46 1d2k h ASP 275 Cb -0.00 -0.20 -0.00 0.00 -0.56 0.00 0.00 39.33 38.57 1d2k h ASP 275 CO -0.03 0.80 0.02 1.88 -1.57 0.00 0.00 179.24 180.34 1d2k h TYR 276 N 0.74 0.13 -0.84 4.55 -1.99 -0.86 0.22 116.97 118.91 1d2k h TYR 276 Ca 0.15 -0.02 0.02 0.00 2.00 0.00 0.00 58.73 60.88 1d2k h TYR 276 Cb 0.41 -0.04 -0.04 0.00 2.00 0.00 0.00 36.73 39.06 1d2k h TYR 276 CO 0.02 0.31 0.55 0.82 -0.00 0.00 0.00 178.16 179.87 1d2k h ILE 277 N -0.09 1.19 0.00 -2.88 2.04 -1.09 -0.31 117.51 116.36 1d2k h ILE 277 Ca 0.02 -0.38 -0.05 0.00 1.00 0.00 0.00 64.86 65.45 1d2k h ILE 277 Cb 0.25 -0.02 -0.01 0.00 -0.74 0.00 0.00 36.82 36.30 1d2k h ILE 277 CO 0.00 0.20 -0.24 0.11 0.00 0.00 0.00 178.15 178.22 1d2k h LYS 278 N 1.12 0.00 0.00 2.37 1.57 -0.72 -1.43 116.57 119.48 1d2k h LYS 278 Ca 0.32 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.10 1d2k h LYS 278 Cb -0.09 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.22 1d2k h LYS 278 CO -0.08 0.24 0.00 0.00 -0.57 0.00 0.00 179.45 179.04 1d2k n ALA 279 N -2.33 2.38 0.00 3.86 0.00 0.05 -4.86 120.51 119.61 1d2k n ALA 279 Ca -0.01 -0.14 0.00 0.00 0.00 0.00 0.00 53.44 53.29 1d2k n ALA 279 Cb 0.35 -1.43 0.00 0.00 0.00 0.00 0.00 19.45 18.37 1d2k n ALA 279 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1d2k n GLY 280 N 0.87 0.76 3.72 0.00 0.00 -0.54 -3.87 105.19 106.14 1d2k n GLY 280 Ca 0.15 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.77 1d2k n GLY 280 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1d2k s VAL 281 N -2.00 5.01 0.18 1.61 1.01 -0.71 -4.90 120.40 120.60 1d2k s VAL 281 Ca 0.00 1.47 -0.31 0.00 0.00 0.00 0.00 61.98 63.15 1d2k s VAL 281 Cb 0.00 -4.05 -0.09 0.00 0.00 0.00 0.00 36.38 32.24 1d2k s VAL 281 CO 0.00 0.27 1.40 -2.84 0.00 0.00 0.00 175.10 173.92 1d2k s PRO 282 N 0.69 4.32 0.40 2.72 0.02 -1.26 -3.86 135.00 138.03 1d2k s PRO 282 Ca 0.38 2.15 0.14 0.00 0.02 0.00 0.00 61.00 63.69 1d2k s PRO 282 Cb -0.18 -3.19 0.98 0.00 0.02 0.00 0.00 34.50 32.13 1d2k s PRO 282 CO 0.19 -0.39 1.90 0.00 -0.33 0.00 0.00 177.00 178.36 1d2k h ALA 283 N 5.96 2.04 0.00 -1.55 0.00 -1.91 -1.31 119.26 122.49 1d2k h ALA 283 Ca -0.44 0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.48 1d2k h ALA 283 Cb 1.21 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.93 1d2k h ALA 283 CO 0.82 -0.26 0.00 0.27 0.00 0.00 0.00 179.25 180.08 1d2k n ASN 284 N -4.51 0.00 -0.53 0.00 0.23 -1.11 -2.04 115.26 107.30 1d2k n ASN 284 Ca 0.16 0.14 0.10 0.00 -0.53 0.00 0.00 54.58 54.45 1d2k n ASN 284 Cb 0.53 -0.33 0.01 0.00 -2.08 0.00 0.00 39.78 37.91 1d2k n ASN 284 CO 0.00 0.00 0.00 0.29 -0.93 0.00 0.00 177.26 176.62 1d2k n LYS 285 N -1.33 1.45 -3.41 -3.83 5.02 -0.50 -3.33 118.16 112.24 1d2k n LYS 285 Ca 0.07 -1.09 -0.41 0.00 -2.02 0.00 0.00 58.31 54.86 1d2k n LYS 285 Cb 0.14 -1.43 -0.09 0.00 -0.02 0.00 0.00 35.03 33.63 1d2k n LYS 285 CO 0.00 0.00 0.00 0.42 -0.52 0.00 0.00 177.40 177.30 1d2k s ILE 286 N -2.26 5.18 -0.19 -0.18 1.01 -0.86 -0.12 121.20 123.79 1d2k s ILE 286 Ca 0.18 -0.16 -0.15 0.00 0.00 0.00 0.00 60.65 60.53 1d2k s ILE 286 Cb 0.17 -3.86 -0.04 0.00 0.01 0.00 0.00 42.46 38.74 1d2k s ILE 286 CO 0.49 -0.17 0.33 -0.69 0.00 0.00 0.00 174.94 174.91 1d2k s VAL 287 N 1.96 5.26 -0.33 2.92 1.01 0.79 -0.84 120.40 131.16 1d2k s VAL 287 Ca 0.10 0.60 -0.26 0.00 0.00 0.00 0.00 61.98 62.42 1d2k s VAL 287 Cb -0.17 -3.67 0.01 0.00 0.00 0.00 0.00 36.38 32.55 1d2k s VAL 287 CO 0.12 0.32 0.91 -0.22 0.00 0.00 0.00 175.10 176.23 1d2k s LEU 288 N 0.92 4.02 0.42 3.92 1.98 -0.36 -0.40 118.68 129.18 1d2k s LEU 288 Ca 0.17 0.73 -0.23 0.00 -2.89 0.00 0.00 54.13 51.91 1d2k s LEU 288 Cb -0.14 -3.27 -0.09 0.00 0.66 0.00 0.00 46.19 43.36 1d2k s LEU 288 CO 0.06 -0.77 1.04 -0.83 -1.89 0.00 0.00 176.35 173.96 1d2k s GLY 289 N 1.72 2.68 -0.02 7.98 0.00 0.13 -0.87 107.32 118.95 1d2k s GLY 289 Ca 0.38 0.67 -0.02 0.00 0.00 0.00 0.00 44.72 45.75 1d2k s GLY 289 CO 0.15 1.07 0.05 1.06 0.00 0.00 0.00 173.10 175.44 1d2k s MET 290 N -2.67 0.08 0.16 2.90 -1.94 0.30 -3.97 119.30 114.17 1d2k s MET 290 Ca 0.60 0.03 -0.23 0.00 -1.71 0.00 0.00 55.69 54.38 1d2k s MET 290 Cb -0.20 0.04 -0.08 0.00 2.01 0.00 0.00 34.83 36.59 1d2k s MET 290 CO 0.25 -0.01 0.73 -1.25 -0.01 0.00 0.00 175.02 174.73 1d2k s PRO 291 N -0.07 4.44 -0.31 2.03 0.04 -1.26 -2.44 135.00 137.42 1d2k s PRO 291 Ca -0.01 1.03 0.09 0.00 0.04 0.00 0.00 61.00 62.15 1d2k s PRO 291 Cb -0.01 -3.17 0.59 0.00 0.04 0.00 0.00 34.50 31.95 1d2k s PRO 291 CO 0.00 0.54 1.63 1.28 0.04 0.00 0.00 177.00 180.49 1d2k n LEU 292 N 1.41 5.05 -4.13 -3.56 4.77 -0.37 -4.71 117.00 115.46 1d2k n LEU 292 Ca -0.06 -3.51 -0.13 0.00 -0.03 0.00 0.00 56.01 52.28 1d2k n LEU 292 Cb 0.50 -0.69 -0.07 0.00 -2.33 0.00 0.00 43.42 40.83 1d2k n LEU 292 CO 0.45 1.03 -0.01 -0.72 -1.33 0.00 0.00 177.39 176.81 1d2k s TYR 293 N -3.14 1.02 0.10 -1.77 1.13 -1.26 -1.55 117.35 111.87 1d2k s TYR 293 Ca 0.49 -1.24 0.04 0.00 -1.41 0.00 0.00 57.07 54.95 1d2k s TYR 293 Cb 0.42 -0.26 -0.04 0.00 -1.10 0.00 0.00 41.96 40.99 1d2k s TYR 293 CO 0.06 -0.91 -0.11 0.20 -2.51 0.00 0.00 175.55 172.29 1d2k s GLY 294 N -3.18 0.88 -0.12 5.49 0.00 0.13 -4.64 107.32 105.87 1d2k s GLY 294 Ca 0.33 -1.20 -0.01 0.00 0.00 0.00 0.00 44.72 43.84 1d2k s GLY 294 CO 0.16 -1.27 -0.10 0.50 0.00 0.00 0.00 173.10 172.39 1d2k s ARG 295 N -2.78 3.33 0.25 2.90 0.52 -0.75 -1.03 118.95 121.39 1d2k s ARG 295 Ca 0.06 -0.62 0.04 0.00 -0.52 0.00 0.00 55.73 54.69 1d2k s ARG 295 Cb -0.03 -2.69 -0.03 0.00 0.52 0.00 0.00 34.95 32.72 1d2k s ARG 295 CO 0.00 0.31 0.39 0.00 0.02 0.00 0.00 175.30 176.02 1d2k s ALA 296 N 0.13 3.89 -0.04 2.13 0.00 -0.54 -0.87 121.76 126.46 1d2k s ALA 296 Ca -0.05 -1.15 -0.01 0.00 0.00 0.00 0.00 51.96 50.75 1d2k s ALA 296 Cb -0.14 -1.81 0.03 0.00 0.00 0.00 0.00 23.12 21.20 1d2k s ALA 296 CO 0.04 0.21 0.06 -0.06 0.00 0.00 0.00 175.76 176.01 1d2k s PHE 297 N -2.03 0.01 0.24 0.00 0.40 0.38 -4.69 117.98 112.29 1d2k s PHE 297 Ca 0.35 0.24 0.04 0.00 -0.60 0.00 0.00 56.93 56.96 1d2k s PHE 297 Cb -0.09 -0.32 -0.03 0.00 0.51 0.00 0.00 43.02 43.08 1d2k s PHE 297 CO 0.30 -0.15 0.37 0.00 0.70 0.00 0.00 175.22 176.45 1d2k s ALA 298 N 1.59 3.91 -1.08 5.36 0.00 0.46 -1.04 121.76 130.95 1d2k s ALA 298 Ca -0.03 -1.16 -0.20 0.00 0.00 0.00 0.00 51.96 50.57 1d2k s ALA 298 Cb -0.12 -1.78 0.01 0.00 0.00 0.00 0.00 23.12 21.22 1d2k s ALA 298 CO -0.03 0.26 0.73 0.43 0.00 0.00 0.00 175.76 177.14 1d2k n SER 299 N -1.32 -5.12 -4.17 0.00 7.64 -0.61 -0.84 113.62 109.21 1d2k n SER 299 Ca -0.08 -1.02 -0.19 0.00 1.01 0.00 0.00 58.87 58.58 1d2k n SER 299 Cb 0.56 -2.77 -0.12 0.00 -1.01 0.00 0.00 64.21 60.87 1d2k n SER 299 CO 0.00 0.00 0.00 -0.89 -3.01 0.00 0.00 175.04 171.14 1d2k s THR 300 N -3.37 1.14 0.18 0.44 2.01 -0.66 -3.79 115.64 111.59 1d2k s THR 300 Ca 0.37 -1.23 0.06 0.00 0.31 0.00 0.00 61.69 61.21 1d2k s THR 300 Cb -0.16 -1.07 -0.14 0.00 0.01 0.00 0.00 72.50 71.14 1d2k s THR 300 CO 0.89 -0.15 1.40 0.44 -0.69 0.00 0.00 174.62 176.51 1d2k h ASP 301 N 4.46 0.08 0.00 3.53 3.45 -1.88 -3.42 116.42 122.65 1d2k h ASP 301 Ca -0.40 -0.07 0.00 0.00 0.43 0.00 0.00 57.03 56.99 1d2k h ASP 301 Cb 1.19 -0.02 0.00 0.00 -0.56 0.00 0.00 39.33 39.93 1d2k h ASP 301 CO 0.41 0.90 0.00 0.61 -1.57 0.00 0.00 179.24 179.59 1d2k n GLY 302 N 0.90 -0.80 3.74 2.75 0.00 -1.26 -5.07 105.19 105.45 1d2k n GLY 302 Ca -0.02 -1.00 -0.42 0.00 0.00 0.00 0.00 46.02 44.59 1d2k n GLY 302 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 173.32 171.82 1d2k s ILE 303 N -3.00 2.68 0.00 -0.61 1.10 -1.26 -2.82 121.20 117.29 1d2k s ILE 303 Ca 0.00 0.55 0.00 0.00 -0.51 0.00 0.00 60.65 60.69 1d2k s ILE 303 Cb 0.00 -3.35 0.00 0.00 0.15 0.00 0.00 42.46 39.26 1d2k s ILE 303 CO 0.00 0.08 0.00 0.61 -2.11 0.00 0.00 174.94 173.52 1d2k n GLY 304 N 2.61 0.55 3.52 1.50 0.00 0.66 -4.90 105.19 109.14 1d2k n GLY 304 Ca 0.09 -0.01 -0.25 0.00 0.00 0.00 0.00 46.02 45.84 1d2k n GLY 304 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1d2k s THR 305 N -2.00 2.47 0.69 2.61 -4.23 -1.13 -4.77 115.64 109.28 1d2k s THR 305 Ca 0.00 -2.26 -0.17 0.00 -1.18 0.00 0.00 61.69 58.08 1d2k s THR 305 Cb 0.00 -2.51 0.01 0.00 1.34 0.00 0.00 72.50 71.34 1d2k s THR 305 CO 0.00 -0.30 1.27 -0.94 -0.54 0.00 0.00 174.62 174.11 1d2k s SER 306 N -3.58 4.35 0.05 3.99 1.04 -1.26 -0.93 113.70 117.36 1d2k s SER 306 Ca 0.31 2.56 -0.02 0.00 0.48 0.00 0.00 55.95 59.28 1d2k s SER 306 Cb -0.02 -2.61 -0.03 0.00 0.10 0.00 0.00 66.02 63.46 1d2k s SER 306 CO 0.16 -2.17 -0.00 0.72 0.98 0.00 0.00 173.24 172.93 1d2k s PHE 307 N -1.59 0.43 -0.20 5.02 -0.12 -1.15 -4.34 117.98 116.03 1d2k s PHE 307 Ca 0.80 -0.91 -0.03 0.00 -0.05 0.00 0.00 56.93 56.74 1d2k s PHE 307 Cb -0.35 -0.31 0.06 0.00 -0.63 0.00 0.00 43.02 41.79 1d2k s PHE 307 CO 0.42 -0.37 0.05 1.21 -0.05 0.00 0.00 175.22 176.49 1d2k s ASN 308 N -2.66 2.91 0.00 1.98 3.84 -0.02 -4.89 114.94 116.10 1d2k s ASN 308 Ca 0.03 -0.86 0.00 0.00 0.21 0.00 0.00 52.86 52.24 1d2k s ASN 308 Cb 0.05 -0.54 0.00 0.00 -0.55 0.00 0.00 41.25 40.21 1d2k s ASN 308 CO -0.08 -0.33 0.00 0.61 -2.79 0.00 0.00 177.10 174.51 1d2k n GLY 309 N 5.09 -0.36 0.00 1.21 0.00 -1.26 -4.20 105.19 105.66 1d2k n GLY 309 Ca -0.08 -1.74 0.00 0.00 0.00 0.00 0.00 46.02 44.20 1d2k n GLY 309 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 1d2k n VAL 310 N -0.32 0.10 -4.74 1.61 0.24 -1.26 -0.40 118.33 113.56 1d2k n VAL 310 Ca 0.00 -0.35 0.00 0.00 -2.04 0.00 0.00 64.34 61.95 1d2k n VAL 310 Cb 0.00 1.28 0.00 0.00 -1.47 0.00 0.00 33.84 33.65 1d2k n VAL 310 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 1d2k n GLY 311 N -0.05 0.65 0.00 7.63 0.00 -1.26 -3.87 105.19 108.29 1d2k n GLY 311 Ca 0.00 -0.74 0.00 0.00 0.00 0.00 0.00 46.02 45.28 1d2k n GLY 311 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1d2k n GLY 312 N 0.00 0.71 3.65 -0.02 0.00 -1.26 -3.67 105.19 104.60 1d2k n GLY 312 Ca 0.00 -1.65 0.02 0.00 0.00 0.00 0.00 46.02 44.39 1d2k n GLY 312 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1d2k s GLY 313 N -0.38 -0.40 0.32 -0.02 0.00 -1.24 0.05 107.32 105.64 1d2k s GLY 313 Ca 0.00 0.68 0.07 0.00 0.00 0.00 0.00 44.72 45.47 1d2k s GLY 313 CO 0.00 0.75 1.79 1.76 0.00 0.00 0.00 173.10 177.39 1d2k h SER 314 N 2.00 0.31 0.00 1.64 0.02 -1.65 -3.41 113.55 112.46 1d2k h SER 314 Ca -0.30 -0.10 0.00 0.00 -0.84 0.00 0.00 61.79 60.55 1d2k h SER 314 Cb 1.20 -0.08 0.00 0.00 0.14 0.00 0.00 62.40 63.66 1d2k h SER 314 CO 0.29 0.57 0.00 0.79 -1.14 0.00 0.00 176.83 177.34 1d2k n TRP 315 N -4.14 0.00 -4.26 3.45 7.02 -1.26 -5.03 117.44 113.22 1d2k n TRP 315 Ca -0.01 0.00 -0.22 0.00 -1.02 0.00 0.00 57.50 56.25 1d2k n TRP 315 Cb 0.38 0.00 -0.12 0.00 -2.42 0.00 0.00 31.31 29.15 1d2k n TRP 315 CO 0.00 0.00 0.00 -1.83 -2.02 0.00 0.00 177.69 173.84 1d2k s GLU 316 N -1.00 1.05 0.25 -0.99 -1.05 -1.26 -5.11 118.70 110.58 1d2k s GLU 316 Ca 0.00 -1.13 -0.30 0.00 -0.15 0.00 0.00 54.97 53.39 1d2k s GLU 316 Cb 0.00 -1.21 -0.10 0.00 -0.44 0.00 0.00 34.13 32.38 1d2k s GLU 316 CO 0.00 0.27 1.49 -0.80 0.95 0.00 0.00 175.26 177.18 1d2k s ASN 317 N -1.95 6.57 0.00 0.83 -0.87 -1.26 -2.82 114.94 115.44 1d2k s ASN 317 Ca 0.05 2.73 0.00 0.00 -1.57 0.00 0.00 52.86 54.07 1d2k s ASN 317 Cb -0.09 -2.62 0.00 0.00 -0.02 0.00 0.00 41.25 38.51 1d2k s ASN 317 CO 0.04 -0.77 0.00 0.61 -2.57 0.00 0.00 177.10 174.41 1d2k n GLY 318 N 2.39 1.72 3.17 0.66 0.00 0.11 -4.89 105.19 108.34 1d2k n GLY 318 Ca 0.08 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.79 1d2k n GLY 318 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1d2k s VAL 319 N -2.78 1.86 -0.08 1.61 1.01 -1.13 -1.47 120.40 119.43 1d2k s VAL 319 Ca 0.00 -0.90 0.03 0.00 0.00 0.00 0.00 61.98 61.11 1d2k s VAL 319 Cb 0.00 -1.63 0.01 0.00 0.00 0.00 0.00 36.38 34.76 1d2k s VAL 319 CO 0.00 0.52 -0.16 0.26 0.00 0.00 0.00 175.10 175.71 1d2k s TRP 320 N 0.48 1.82 0.54 5.22 0.52 -0.20 -1.54 118.94 125.78 1d2k s TRP 320 Ca -0.16 -0.70 -0.22 0.00 0.02 0.00 0.00 56.10 55.04 1d2k s TRP 320 Cb -0.17 -1.28 -0.05 0.00 -1.15 0.00 0.00 33.47 30.82 1d2k s TRP 320 CO 0.06 -0.32 1.38 -0.51 0.02 0.00 0.00 176.95 177.58 1d2k s ASP 321 N 0.53 5.32 0.32 2.95 1.11 -1.26 0.17 116.67 125.81 1d2k s ASP 321 Ca -0.15 2.81 0.02 0.00 0.18 0.00 0.00 52.55 55.40 1d2k s ASP 321 Cb -0.16 -2.64 0.53 0.00 1.07 0.00 0.00 42.92 41.72 1d2k s ASP 321 CO 0.05 -1.54 1.89 0.22 1.18 0.00 0.00 175.17 176.97 1d2k h TYR 322 N 1.56 0.72 0.00 4.23 3.20 -1.11 -2.12 116.97 123.45 1d2k h TYR 322 Ca -0.51 -0.05 0.00 0.00 3.14 0.00 0.00 58.73 61.31 1d2k h TYR 322 Cb 1.30 -0.22 0.00 0.00 1.54 0.00 0.00 36.73 39.35 1d2k h TYR 322 CO 0.46 0.60 0.00 0.36 -1.64 0.00 0.00 178.16 177.94 1d2k n LYS 323 N -4.32 0.10 0.00 1.82 2.85 -0.44 -1.36 118.16 116.81 1d2k n LYS 323 Ca 0.03 0.49 0.12 0.00 -1.05 0.00 0.00 58.31 57.90 1d2k n LYS 323 Cb 0.19 -1.75 0.26 0.00 -0.65 0.00 0.00 35.03 33.08 1d2k n LYS 323 CO 0.00 0.00 0.00 -0.25 -0.05 0.00 0.00 177.40 177.10 1d2k n ASP 324 N -1.95 1.60 -4.89 -5.58 8.00 -0.80 -4.91 116.55 108.02 1d2k n ASP 324 Ca 0.01 -1.29 -0.32 0.00 0.71 0.00 0.00 54.79 53.90 1d2k n ASP 324 Cb 0.10 0.20 -0.05 0.00 -0.02 0.00 0.00 41.12 41.35 1d2k n ASP 324 CO 0.00 0.00 0.00 -0.04 -0.39 0.00 0.00 177.20 176.77 1d2k s MET 325 N -2.36 3.70 0.40 -1.24 -1.94 -0.46 -4.17 119.30 113.23 1d2k s MET 325 Ca 0.25 0.07 -0.05 0.00 -1.71 0.00 0.00 55.69 54.25 1d2k s MET 325 Cb 0.19 -2.78 -0.04 0.00 2.01 0.00 0.00 34.83 34.21 1d2k s MET 325 CO 0.48 0.42 0.69 -1.25 -0.01 0.00 0.00 175.02 175.35 1d2k s PRO 326 N -2.67 3.59 0.50 2.03 0.04 -1.26 -5.05 135.00 132.18 1d2k s PRO 326 Ca 0.43 0.11 -0.14 0.00 0.04 0.00 0.00 61.00 61.44 1d2k s PRO 326 Cb -0.12 -2.49 -0.07 0.00 0.04 0.00 0.00 34.50 31.86 1d2k s PRO 326 CO 0.23 -0.02 0.93 -0.65 0.04 0.00 0.00 177.00 177.53 1d2k s GLN 327 N -4.25 3.85 0.17 4.56 -0.21 -1.26 -5.00 119.66 117.51 1d2k s GLN 327 Ca 0.46 0.78 -0.31 0.00 0.02 0.00 0.00 55.36 56.31 1d2k s GLN 327 Cb -0.10 -2.20 -0.09 0.00 1.00 0.00 0.00 33.01 31.61 1d2k s GLN 327 CO 0.38 -0.25 1.50 -0.65 -2.12 0.00 0.00 175.29 174.14 1d2k s GLN 328 N -4.19 4.25 0.00 2.91 -0.21 -1.26 -2.58 119.66 118.58 1d2k s GLN 328 Ca 0.56 2.27 0.00 0.00 0.02 0.00 0.00 55.36 58.22 1d2k s GLN 328 Cb -0.10 -3.17 0.00 0.00 1.00 0.00 0.00 33.01 30.74 1d2k s GLN 328 CO 0.35 -0.53 0.00 0.41 -2.12 0.00 0.00 175.29 173.40 1d2k n GLY 329 N 3.41 0.64 3.82 3.09 0.00 -1.26 -5.07 105.19 109.83 1d2k n GLY 329 Ca 0.12 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.78 1d2k n GLY 329 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1d2k s ALA 330 N -2.53 3.72 -0.12 4.61 0.00 -1.07 -4.43 121.76 121.94 1d2k s ALA 330 Ca 0.00 -0.68 -0.11 0.00 0.00 0.00 0.00 51.96 51.17 1d2k s ALA 330 Cb 0.00 -1.84 -0.05 0.00 0.00 0.00 0.00 23.12 21.23 1d2k s ALA 330 CO 0.00 0.60 0.23 1.14 0.00 0.00 0.00 175.76 177.73 1d2k s GLN 331 N -0.96 3.86 -0.21 0.00 1.03 0.36 -4.84 119.66 118.90 1d2k s GLN 331 Ca 0.14 0.03 -0.12 0.00 0.04 0.00 0.00 55.36 55.45 1d2k s GLN 331 Cb -0.12 -3.29 -0.05 0.00 0.03 0.00 0.00 33.01 29.58 1d2k s GLN 331 CO 0.03 0.55 0.23 0.08 -2.54 0.00 0.00 175.29 173.64 1d2k s VAL 332 N -0.44 5.32 -0.11 3.63 1.01 -1.26 -0.95 120.40 127.60 1d2k s VAL 332 Ca 0.16 0.35 0.00 0.00 0.00 0.00 0.00 61.98 62.50 1d2k s VAL 332 Cb -0.13 -3.57 -0.02 0.00 0.00 0.00 0.00 36.38 32.66 1d2k s VAL 332 CO 0.05 0.34 -0.12 -0.89 0.00 0.00 0.00 175.10 174.49 1d2k s THR 333 N 0.93 3.19 -0.16 3.92 2.01 0.19 -5.00 115.64 120.71 1d2k s THR 333 Ca 0.11 -0.63 0.00 0.00 0.31 0.00 0.00 61.69 61.49 1d2k s THR 333 Cb -0.13 -2.32 0.03 0.00 0.01 0.00 0.00 72.50 70.08 1d2k s THR 333 CO 0.04 0.54 -0.13 -1.61 -0.69 0.00 0.00 174.62 172.77 1d2k s GLU 334 N 0.04 2.22 -0.76 4.92 2.02 -1.26 -1.10 118.70 124.78 1d2k s GLU 334 Ca -0.04 -0.64 -0.14 0.00 0.02 0.00 0.00 54.97 54.18 1d2k s GLU 334 Cb -0.14 -2.19 0.20 0.00 0.10 0.00 0.00 34.13 32.09 1d2k s GLU 334 CO 0.04 -0.29 0.69 -0.51 0.02 0.00 0.00 175.26 175.21 1d2k s LEU 335 N 1.46 6.54 0.25 1.80 2.01 0.19 -4.93 118.68 126.01 1d2k s LEU 335 Ca 0.03 -2.53 -0.04 0.00 0.01 0.00 0.00 54.13 51.60 1d2k s LEU 335 Cb -0.14 -2.18 0.34 0.00 0.01 0.00 0.00 46.19 44.22 1d2k s LEU 335 CO -0.10 -0.61 1.89 -0.33 1.01 0.00 0.00 176.35 178.21 1d2k h GLU 336 N 7.93 1.15 -0.50 1.70 3.07 -1.96 -0.48 114.58 125.49 1d2k h GLU 336 Ca 0.02 -0.07 -0.07 0.00 -0.50 0.00 0.00 59.36 58.75 1d2k h GLU 336 Cb 1.05 -0.26 -0.02 0.00 -0.84 0.00 0.00 28.75 28.67 1d2k h GLU 336 CO 0.80 0.76 0.04 0.38 -1.40 0.00 0.00 179.01 179.59 1d2k h ASP 337 N 1.18 0.77 -0.19 1.42 -0.00 -1.94 -2.72 116.42 114.94 1d2k h ASP 337 Ca 0.40 -0.17 0.00 0.00 -0.00 0.00 0.00 57.03 57.25 1d2k h ASP 337 Cb 0.06 -0.20 0.00 0.00 -0.00 0.00 0.00 39.33 39.19 1d2k h ASP 337 CO -0.14 0.81 0.00 2.30 -0.00 0.00 0.00 179.24 182.21 1d2k n ILE 338 N -4.23 0.27 -3.25 4.15 -5.35 -1.17 -4.81 119.36 104.96 1d2k n ILE 338 Ca 0.03 -0.63 -0.10 0.00 -0.27 0.00 0.00 62.75 61.77 1d2k n ILE 338 Cb 0.28 1.17 0.00 0.00 -1.74 0.00 0.00 39.64 39.36 1d2k n ILE 338 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 1d2k n ALA 339 N 1.20 -2.64 -3.55 -1.28 0.00 -0.28 -2.29 120.51 111.66 1d2k n ALA 339 Ca 0.14 0.13 -0.15 0.00 0.00 0.00 0.00 53.44 53.57 1d2k n ALA 339 Cb 0.52 -1.69 -0.07 0.00 0.00 0.00 0.00 19.45 18.21 1d2k n ALA 339 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1d2k s ALA 340 N -2.83 -1.66 0.10 0.00 0.00 -0.67 -3.66 121.76 113.04 1d2k s ALA 340 Ca 0.07 1.69 -0.03 0.00 0.00 0.00 0.00 51.96 53.69 1d2k s ALA 340 Cb -0.01 -0.77 -0.03 0.00 0.00 0.00 0.00 23.12 22.31 1d2k s ALA 340 CO 0.80 -0.33 0.06 -1.54 0.00 0.00 0.00 175.76 174.75 1d2k s SER 341 N -0.12 0.33 0.19 0.00 1.04 -1.26 0.55 113.70 114.44 1d2k s SER 341 Ca -0.03 -1.05 -0.23 0.00 0.48 0.00 0.00 55.95 55.12 1d2k s SER 341 Cb -0.03 0.28 0.05 0.00 0.10 0.00 0.00 66.02 66.41 1d2k s SER 341 CO 0.03 -0.70 0.77 -0.72 0.98 0.00 0.00 173.24 173.60 1d2k s TYR 342 N -3.98 -0.27 0.12 5.02 1.13 -0.26 -3.07 117.35 116.04 1d2k s TYR 342 Ca 0.15 -0.06 0.10 0.00 -1.41 0.00 0.00 57.07 55.86 1d2k s TYR 342 Cb 0.07 0.64 -0.04 0.00 -1.10 0.00 0.00 41.96 41.53 1d2k s TYR 342 CO -0.04 -0.98 -0.25 -1.54 -2.51 0.00 0.00 175.55 170.23 1d2k s SER 343 N -2.84 3.43 -0.07 -0.18 1.04 -0.21 -0.64 113.70 114.23 1d2k s SER 343 Ca 0.08 -0.70 -0.03 0.00 0.48 0.00 0.00 55.95 55.79 1d2k s SER 343 Cb -0.03 -0.30 0.04 0.00 0.10 0.00 0.00 66.02 65.83 1d2k s SER 343 CO -0.00 0.19 0.16 -0.47 0.98 0.00 0.00 173.24 174.09 1d2k s TYR 344 N -1.06 -0.19 -0.40 5.02 5.04 -0.12 -1.24 117.35 124.41 1d2k s TYR 344 Ca 0.15 0.53 -0.11 0.00 -2.44 0.00 0.00 57.07 55.20 1d2k s TYR 344 Cb -0.10 -0.08 0.05 0.00 0.35 0.00 0.00 41.96 42.18 1d2k s TYR 344 CO 0.07 -0.18 0.25 0.34 -1.34 0.00 0.00 175.55 174.68 1d2k s ASP 345 N 1.26 5.77 0.32 4.32 3.68 -0.40 -0.49 116.67 131.14 1d2k s ASP 345 Ca -0.08 -1.18 0.02 0.00 2.13 0.00 0.00 52.55 53.44 1d2k s ASP 345 Cb -0.11 -2.04 0.59 0.00 -1.45 0.00 0.00 42.92 39.91 1d2k s ASP 345 CO -0.06 -0.46 1.94 0.50 0.13 0.00 0.00 175.17 177.22 1d2k h LYS 346 N 8.47 0.92 -0.21 4.34 1.63 -1.88 0.50 116.57 130.35 1d2k h LYS 346 Ca -0.25 -0.06 -0.12 0.00 -0.85 0.00 0.00 60.65 59.38 1d2k h LYS 346 Cb 1.10 -0.21 -0.00 0.00 -0.60 0.00 0.00 32.23 32.52 1d2k h LYS 346 CO 0.72 0.61 -0.33 -0.91 -3.45 0.00 0.00 179.45 176.09 1d2k h ASN 347 N 0.94 0.64 1.15 4.20 2.35 -1.93 -3.16 115.58 119.77 1d2k h ASN 347 Ca 0.34 -0.53 0.00 0.00 -0.55 0.00 0.00 56.30 55.56 1d2k h ASN 347 Cb 0.15 -0.18 0.00 0.00 0.05 0.00 0.00 38.32 38.33 1d2k h ASN 347 CO -0.11 1.05 -0.44 0.11 -1.65 0.00 0.00 177.43 176.38 1d2k h LYS 348 N 0.26 0.00 -5.99 0.81 1.57 -1.92 -3.47 116.57 107.83 1d2k h LYS 348 Ca 0.02 0.00 -0.40 0.00 -1.87 0.00 0.00 60.65 58.39 1d2k h LYS 348 Cb 0.91 0.00 0.08 0.00 0.08 0.00 0.00 32.23 33.30 1d2k h LYS 348 CO 0.08 0.00 -0.79 0.54 -0.57 0.00 0.00 179.45 178.71 1d2k n ARG 349 N -2.30 -5.78 -4.66 3.15 1.74 0.17 -4.41 116.66 104.57 1d2k n ARG 349 Ca 0.04 0.70 -0.33 0.00 -0.77 0.00 0.00 57.85 57.48 1d2k n ARG 349 Cb 0.46 -5.48 -0.15 0.00 -1.02 0.00 0.00 32.46 26.27 1d2k n ARG 349 CO 0.00 0.00 0.00 -0.47 -1.52 0.00 0.00 177.63 175.64 1d2k s TYR 350 N -3.50 2.76 0.00 -1.55 5.04 -1.02 -1.57 117.35 117.51 1d2k s TYR 350 Ca 0.18 -0.98 0.04 0.00 -2.44 0.00 0.00 57.07 53.87 1d2k s TYR 350 Cb -0.08 -1.86 -0.03 0.00 0.35 0.00 0.00 41.96 40.34 1d2k s TYR 350 CO 0.79 -0.43 -0.12 -1.17 -1.34 0.00 0.00 175.55 173.28 1d2k s LEU 351 N 0.68 2.89 -0.09 6.97 1.98 -0.21 -1.27 118.68 129.63 1d2k s LEU 351 Ca -0.08 -0.24 -0.02 0.00 -2.89 0.00 0.00 54.13 50.89 1d2k s LEU 351 Cb -0.16 -1.66 0.04 0.00 0.66 0.00 0.00 46.19 45.07 1d2k s LEU 351 CO 0.02 0.29 0.05 -0.63 -1.89 0.00 0.00 176.35 174.19 1d2k s ILE 352 N -0.91 0.10 -0.43 6.68 1.01 -0.37 -0.47 121.20 126.81 1d2k s ILE 352 Ca 0.15 0.13 -0.22 0.00 0.00 0.00 0.00 60.65 60.72 1d2k s ILE 352 Cb -0.11 -0.43 0.02 0.00 0.01 0.00 0.00 42.46 41.96 1d2k s ILE 352 CO 0.05 0.08 0.70 -0.55 0.00 0.00 0.00 174.94 175.21 1d2k s SER 353 N 2.08 6.38 0.16 3.58 0.15 -0.04 -1.04 113.70 124.96 1d2k s SER 353 Ca 0.04 -0.17 -0.14 0.00 0.70 0.00 0.00 55.95 56.38 1d2k s SER 353 Cb -0.13 -2.35 0.02 0.00 -1.71 0.00 0.00 66.02 61.85 1d2k s SER 353 CO -0.05 -0.80 0.41 -0.72 1.20 0.00 0.00 173.24 173.28 1d2k s TYR 354 N 2.98 0.01 0.03 3.44 -0.85 -1.18 -1.81 117.35 119.97 1d2k s TYR 354 Ca 0.26 -0.36 -0.18 0.00 -0.52 0.00 0.00 57.07 56.27 1d2k s TYR 354 Cb -0.13 0.21 -0.06 0.00 0.38 0.00 0.00 41.96 42.36 1d2k s TYR 354 CO 0.20 -0.79 0.52 -0.51 -1.52 0.00 0.00 175.55 173.45 1d2k s ASP 355 N -2.88 6.95 0.38 -0.18 -0.00 -1.26 -4.06 116.67 115.62 1d2k s ASP 355 Ca 0.09 1.13 0.07 0.00 -0.00 0.00 0.00 52.55 53.84 1d2k s ASP 355 Cb 0.01 -2.32 0.00 0.00 -0.00 0.00 0.00 42.92 40.61 1d2k s ASP 355 CO -0.05 0.24 0.52 0.42 -0.00 0.00 0.00 175.17 176.31 1d2k s THR 356 N -0.84 3.54 0.28 -1.27 -4.23 -1.26 -4.92 115.64 106.95 1d2k s THR 356 Ca 0.27 -0.99 -0.01 0.00 -1.18 0.00 0.00 61.69 59.79 1d2k s THR 356 Cb -0.18 -3.21 0.28 0.00 1.34 0.00 0.00 72.50 70.73 1d2k s THR 356 CO 0.16 -0.08 1.88 -0.37 -0.54 0.00 0.00 174.62 175.68 1d2k h VAL 357 N 0.76 1.05 -0.18 2.29 -1.51 -1.93 0.14 116.25 116.86 1d2k h VAL 357 Ca -0.43 -0.38 0.01 0.00 -1.23 0.00 0.00 66.70 64.68 1d2k h VAL 357 Cb 1.27 -0.14 -0.01 0.00 -2.13 0.00 0.00 31.29 30.27 1d2k h VAL 357 CO 0.49 0.20 0.09 0.50 -1.23 0.00 0.00 177.57 177.62 1d2k h LYS 358 N 1.09 0.19 0.00 5.19 1.63 -1.99 0.65 116.57 123.33 1d2k h LYS 358 Ca 0.43 -0.01 -0.08 0.00 -0.85 0.00 0.00 60.65 60.14 1d2k h LYS 358 Cb 0.24 -0.04 -0.01 0.00 -0.60 0.00 0.00 32.23 31.82 1d2k h LYS 358 CO -0.18 0.12 -0.37 0.82 -3.45 0.00 0.00 179.45 176.39 1d2k h ILE 359 N 0.19 1.14 -0.31 2.00 1.08 -1.69 -1.64 117.51 118.29 1d2k h ILE 359 Ca 0.07 -1.33 -0.10 0.00 -0.39 0.00 0.00 64.86 63.11 1d2k h ILE 359 Cb 0.02 1.74 -0.01 0.00 -3.07 0.00 0.00 36.82 35.50 1d2k h ILE 359 CO -0.05 0.37 -0.24 0.00 -0.69 0.00 0.00 178.15 177.54 1d2k h ALA 360 N 1.63 1.01 -0.74 1.87 0.00 0.01 -2.38 119.26 120.65 1d2k h ALA 360 Ca -0.00 -0.36 -0.06 0.00 0.00 0.00 0.00 54.91 54.49 1d2k h ALA 360 Cb 0.71 -0.13 -0.03 0.00 0.00 0.00 0.00 17.79 18.34 1d2k h ALA 360 CO 0.05 0.59 0.24 0.78 0.00 0.00 0.00 179.25 180.91 1d2k h GLY 361 N 1.00 1.23 1.09 0.00 0.00 0.04 -1.99 103.07 104.44 1d2k h GLY 361 Ca 0.08 -0.72 -0.07 0.00 0.00 0.00 0.00 47.33 46.62 1d2k h GLY 361 CO 0.05 0.67 0.17 0.50 0.00 0.00 0.00 176.54 177.94 1d2k h LYS 362 N 1.10 1.12 -0.46 4.80 1.79 -0.97 -1.95 116.57 122.00 1d2k h LYS 362 Ca 0.24 -0.27 -0.08 0.00 -2.18 0.00 0.00 60.65 58.37 1d2k h LYS 362 Cb 0.30 -0.15 -0.02 0.00 -1.58 0.00 0.00 32.23 30.78 1d2k h LYS 362 CO -0.01 0.99 -0.03 0.87 -1.08 0.00 0.00 179.45 180.19 1d2k h LYS 363 N 1.07 0.78 -0.51 3.15 1.57 -1.22 -1.23 116.57 120.17 1d2k h LYS 363 Ca 0.22 -0.22 0.02 0.00 -1.87 0.00 0.00 60.65 58.80 1d2k h LYS 363 Cb 0.37 -0.09 -0.03 0.00 0.08 0.00 0.00 32.23 32.56 1d2k h LYS 363 CO 0.00 0.81 0.31 0.00 -0.57 0.00 0.00 179.45 180.00 1d2k h ALA 364 N 1.24 0.66 -0.79 3.86 0.00 -0.98 -0.30 119.26 122.96 1d2k h ALA 364 Ca 0.14 -0.02 -0.01 0.00 0.00 0.00 0.00 54.91 55.02 1d2k h ALA 364 Cb 0.48 -0.16 -0.04 0.00 0.00 0.00 0.00 17.79 18.07 1d2k h ALA 364 CO 0.02 0.03 0.45 0.93 0.00 0.00 0.00 179.25 180.69 1d2k h GLU 365 N 0.63 1.08 -0.56 0.00 5.08 -0.90 -1.17 114.58 118.74 1d2k h GLU 365 Ca 0.20 -0.11 -0.04 0.00 -1.00 0.00 0.00 59.36 58.41 1d2k h GLU 365 Cb 0.00 -0.22 -0.02 0.00 0.50 0.00 0.00 28.75 29.01 1d2k h GLU 365 CO -0.08 0.77 0.18 -0.92 -1.00 0.00 0.00 179.01 177.96 1d2k h TYR 366 N 1.09 0.90 0.01 4.33 3.20 -0.16 0.62 116.97 126.96 1d2k h TYR 366 Ca 0.28 -0.09 -0.00 0.00 3.14 0.00 0.00 58.73 62.06 1d2k h TYR 366 Cb -0.01 -0.26 0.00 0.00 1.54 0.00 0.00 36.73 38.00 1d2k h TYR 366 CO 0.01 0.76 -0.00 0.82 -1.64 0.00 0.00 178.16 178.10 1d2k h ILE 367 N 0.78 1.01 0.14 1.81 2.04 -0.28 -1.56 117.51 121.45 1d2k h ILE 367 Ca 0.18 -0.07 -0.01 0.00 1.00 0.00 0.00 64.86 65.96 1d2k h ILE 367 Cb 0.28 1.06 0.00 0.00 -0.74 0.00 0.00 36.82 37.42 1d2k h ILE 367 CO -0.01 0.02 -0.07 0.74 0.00 0.00 0.00 178.15 178.84 1d2k h THR 368 N -0.04 0.89 -0.49 -0.27 2.02 -1.15 -1.48 112.91 112.39 1d2k h THR 368 Ca -0.00 -0.10 0.09 0.00 0.77 0.00 0.00 66.41 67.17 1d2k h THR 368 Cb 0.04 0.96 -0.07 0.00 -1.74 0.00 0.00 68.15 67.33 1d2k h THR 368 CO 0.00 0.02 0.06 0.11 0.37 0.00 0.00 175.52 176.09 1d2k h LYS 369 N -0.23 0.18 -0.51 6.66 1.57 -0.77 -2.42 116.57 121.05 1d2k h LYS 369 Ca -0.02 -0.01 0.00 0.00 -1.87 0.00 0.00 60.65 58.75 1d2k h LYS 369 Cb 0.18 -0.04 0.00 0.00 0.08 0.00 0.00 32.23 32.45 1d2k h LYS 369 CO 0.03 0.12 0.00 0.09 -0.57 0.00 0.00 179.45 179.12 1d2k n ASN 370 N -5.16 2.62 -3.87 0.86 3.02 -0.59 -4.94 115.26 107.20 1d2k n ASN 370 Ca 0.05 -2.13 -0.26 0.00 -0.03 0.00 0.00 54.58 52.22 1d2k n ASN 370 Cb 0.25 -0.36 0.01 0.00 -0.61 0.00 0.00 39.78 39.07 1d2k n ASN 370 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1d2k n GLY 371 N 0.99 -0.32 3.91 7.41 0.00 -0.79 -4.81 105.19 111.57 1d2k n GLY 371 Ca 0.15 0.15 -0.28 0.00 0.00 0.00 0.00 46.02 46.04 1d2k n GLY 371 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 1d2k s MET 372 N -6.38 2.58 0.02 1.61 -1.94 -0.63 -2.76 119.30 111.80 1d2k s MET 372 Ca 0.20 0.07 0.15 0.00 -1.71 0.00 0.00 55.69 54.40 1d2k s MET 372 Cb -0.10 -2.13 0.63 0.00 2.01 0.00 0.00 34.83 35.23 1d2k s MET 372 CO 0.85 -1.06 1.47 0.41 -0.01 0.00 0.00 175.02 176.68 1d2k n GLY 373 N -2.89 -1.00 0.00 -0.03 0.00 -0.02 -4.77 105.19 96.48 1d2k n GLY 373 Ca 0.07 -0.04 0.00 0.00 0.00 0.00 0.00 46.02 46.05 1d2k n GLY 373 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1d2k n GLY 374 N -0.06 0.75 3.32 -0.02 0.00 -1.25 -0.25 105.19 107.68 1d2k n GLY 374 Ca 0.03 -1.93 -0.25 0.00 0.00 0.00 0.00 46.02 43.87 1d2k n GLY 374 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1d2k s GLY 375 N 0.00 1.36 0.03 -0.02 0.00 -0.04 -1.22 107.32 107.43 1d2k s GLY 375 Ca 0.00 -1.34 0.03 0.00 0.00 0.00 0.00 44.72 43.41 1d2k s GLY 375 CO 0.00 -1.34 -0.10 -0.29 0.00 0.00 0.00 173.10 171.37 1d2k s MET 376 N -2.05 0.69 0.04 2.90 0.00 -0.05 -0.43 119.30 120.39 1d2k s MET 376 Ca 0.10 -0.58 0.04 0.00 0.00 0.00 0.00 55.69 55.24 1d2k s MET 376 Cb -0.10 -0.62 -0.02 0.00 0.00 0.00 0.00 34.83 34.10 1d2k s MET 376 CO 0.05 0.15 -0.11 -1.58 0.00 0.00 0.00 175.02 173.53 1d2k s TRP 377 N -0.77 0.96 -0.24 4.11 0.51 -0.10 0.11 118.94 123.52 1d2k s TRP 377 Ca -0.01 -0.38 -0.01 0.00 -2.12 0.00 0.00 56.10 53.57 1d2k s TRP 377 Cb -0.07 -0.57 0.07 0.00 -0.81 0.00 0.00 33.47 32.09 1d2k s TRP 377 CO 0.01 -0.00 0.01 -0.46 -0.51 0.00 0.00 176.95 176.00 1d2k s TRP 378 N -1.00 1.80 0.15 -1.98 -0.11 -1.02 -2.11 118.94 114.67 1d2k s TRP 378 Ca -0.03 -1.46 -0.07 0.00 1.22 0.00 0.00 56.10 55.77 1d2k s TRP 378 Cb -0.08 -1.45 -0.02 0.00 -1.50 0.00 0.00 33.47 30.42 1d2k s TRP 378 CO 0.01 -0.74 0.21 -1.83 -4.62 0.00 0.00 176.95 169.98 1d2k s GLU 379 N 1.59 1.08 0.58 5.86 4.04 -1.26 -1.24 118.70 129.35 1d2k s GLU 379 Ca -0.00 -1.25 0.35 0.00 0.04 0.00 0.00 54.97 54.10 1d2k s GLU 379 Cb -0.18 0.34 1.35 0.00 0.02 0.00 0.00 34.13 35.65 1d2k s GLU 379 CO -0.10 -0.37 1.58 0.66 -1.84 0.00 0.00 175.26 175.19 1d2k h SER 380 N 2.65 0.00 0.27 0.83 4.64 -1.66 -2.93 113.55 117.35 1d2k h SER 380 Ca -0.33 0.00 -0.18 0.00 -0.47 0.00 0.00 61.79 60.81 1d2k h SER 380 Cb 1.22 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 63.30 1d2k h SER 380 CO 0.52 0.00 -0.71 0.77 -0.87 0.00 0.00 176.83 176.53 1d2k h SER 381 N 0.00 0.46 -0.24 4.97 4.64 -1.98 -3.36 113.55 118.03 1d2k h SER 381 Ca 0.56 -0.30 0.00 0.00 -0.47 0.00 0.00 61.79 61.58 1d2k h SER 381 Cb 2.66 -0.13 0.00 0.00 -0.31 0.00 0.00 62.40 64.61 1d2k h SER 381 CO -0.01 1.03 0.00 -1.54 -0.87 0.00 0.00 176.83 175.44 1d2k n SER 382 N -3.84 1.66 -4.91 4.97 3.41 -1.11 -4.93 113.62 108.86 1d2k n SER 382 Ca -0.04 -1.83 -0.27 0.00 -0.26 0.00 0.00 58.87 56.47 1d2k n SER 382 Cb 0.70 -0.16 0.02 0.00 -0.26 0.00 0.00 64.21 64.51 1d2k n SER 382 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 1d2k s ASP 383 N -1.30 5.88 0.45 4.04 2.15 -1.26 -1.33 116.67 125.29 1d2k s ASP 383 Ca 0.27 0.80 -0.03 0.00 0.43 0.00 0.00 52.55 54.03 1d2k s ASP 383 Cb 0.15 -1.93 -0.03 0.00 -0.30 0.00 0.00 42.92 40.80 1d2k s ASP 383 CO 0.21 -0.86 0.71 -0.54 -0.17 0.00 0.00 175.17 174.53 1d2k s LYS 384 N -4.89 3.45 -0.15 4.34 1.02 -1.26 -4.64 119.74 117.61 1d2k s LYS 384 Ca 0.51 -0.03 -0.06 0.00 0.02 0.00 0.00 55.97 56.42 1d2k s LYS 384 Cb -0.10 -2.47 -0.04 0.00 -0.52 0.00 0.00 37.83 34.70 1d2k s LYS 384 CO 0.45 -0.14 0.06 0.99 -0.92 0.00 0.00 175.35 175.79 1d2k s THR 385 N -2.62 4.76 0.00 2.17 2.01 -1.26 -4.15 115.64 116.55 1d2k s THR 385 Ca 0.46 -0.06 0.00 0.00 0.31 0.00 0.00 61.69 62.40 1d2k s THR 385 Cb -0.10 -3.10 0.00 0.00 0.01 0.00 0.00 72.50 69.31 1d2k s THR 385 CO 0.42 0.52 0.00 0.61 -0.69 0.00 0.00 174.62 175.48 1d2k n GLY 386 N 2.93 -0.72 0.42 4.40 0.00 -1.26 -4.50 105.19 106.46 1d2k n GLY 386 Ca -0.18 -1.67 0.34 0.00 0.00 0.00 0.00 46.02 44.52 1d2k n GLY 386 CO 0.00 0.00 0.00 -0.57 0.00 0.00 0.00 173.32 172.75 1d2k h ASN 387 N 1.64 0.30 -0.41 1.61 -1.24 -2.02 0.13 115.58 115.58 1d2k h ASN 387 Ca 0.00 0.17 0.00 0.00 0.71 0.00 0.00 56.30 57.18 1d2k h ASN 387 Cb 0.00 0.16 0.00 0.00 0.73 0.00 0.00 38.32 39.21 1d2k h ASN 387 CO 0.00 -0.24 0.00 -0.62 -1.29 0.00 0.00 177.43 175.28 1d2k n GLU 388 N -4.88 2.19 -2.40 6.67 -0.58 -1.26 -4.89 120.64 115.49 1d2k n GLU 388 Ca 0.37 -1.57 -0.42 0.00 -0.42 0.00 0.00 57.16 55.12 1d2k n GLU 388 Cb 1.35 -1.43 -0.03 0.00 -0.57 0.00 0.00 31.44 30.76 1d2k n GLU 388 CO 0.00 0.00 0.00 0.45 -0.48 0.00 0.00 177.13 177.10 1d2k s SER 389 N -0.91 7.09 0.10 1.62 0.15 0.46 -4.56 113.70 117.65 1d2k s SER 389 Ca 0.29 2.12 -0.15 0.00 0.70 0.00 0.00 55.95 58.91 1d2k s SER 389 Cb 0.16 -2.59 -0.07 0.00 -1.71 0.00 0.00 66.02 61.81 1d2k s SER 389 CO 0.18 -0.41 1.46 -0.07 1.20 0.00 0.00 173.24 175.59 1d2k h LEU 390 N 6.02 0.69 -0.11 3.45 3.38 -1.89 -2.37 115.31 124.48 1d2k h LEU 390 Ca -0.43 -0.42 -0.00 0.00 0.09 0.00 0.00 57.88 57.12 1d2k h LEU 390 Cb 1.21 -0.19 -0.01 0.00 0.09 0.00 0.00 40.66 41.77 1d2k h LEU 390 CO 0.78 0.96 0.06 0.58 0.09 0.00 0.00 178.44 180.91 1d2k h VAL 391 N 0.42 1.07 -0.97 1.22 2.07 -1.92 -1.73 116.25 116.41 1d2k h VAL 391 Ca 0.07 -0.18 0.07 0.00 0.82 0.00 0.00 66.70 67.48 1d2k h VAL 391 Cb 0.71 1.00 -0.07 0.00 -1.52 0.00 0.00 31.29 31.41 1d2k h VAL 391 CO 0.05 0.06 0.62 1.23 0.02 0.00 0.00 177.57 179.55 1d2k h GLY 392 N 0.10 1.48 0.96 2.17 0.00 -1.90 -0.16 103.07 105.71 1d2k h GLY 392 Ca 0.04 -0.44 -0.00 0.00 0.00 0.00 0.00 47.33 46.92 1d2k h GLY 392 CO -0.01 0.29 0.12 -0.84 0.00 0.00 0.00 176.54 176.10 1d2k h THR 393 N 1.10 1.10 0.32 4.70 2.02 -1.00 -1.54 112.91 119.60 1d2k h THR 393 Ca 0.43 -0.25 -0.02 0.00 0.77 0.00 0.00 66.41 67.34 1d2k h THR 393 Cb 0.22 0.89 0.00 0.00 -1.74 0.00 0.00 68.15 67.52 1d2k h THR 393 CO -0.19 0.09 -0.15 0.58 0.37 0.00 0.00 175.52 176.22 1d2k h VAL 394 N 0.24 0.70 -0.42 3.16 2.07 -0.71 0.03 116.25 121.32 1d2k h VAL 394 Ca 0.07 -0.22 0.09 0.00 0.82 0.00 0.00 66.70 67.46 1d2k h VAL 394 Cb 0.05 0.82 -0.09 0.00 -1.52 0.00 0.00 31.29 30.55 1d2k h VAL 394 CO -0.01 0.05 -0.17 0.58 0.02 0.00 0.00 177.57 178.03 1d2k h VAL 395 N -0.55 0.46 -0.56 2.57 2.07 -1.01 0.40 116.25 119.62 1d2k h VAL 395 Ca -0.04 0.00 -0.02 0.00 0.82 0.00 0.00 66.70 67.45 1d2k h VAL 395 Cb 0.41 0.46 -0.03 0.00 -1.52 0.00 0.00 31.29 30.60 1d2k h VAL 395 CO 0.07 0.00 0.25 0.78 0.02 0.00 0.00 177.57 178.69 1d2k h ASN 396 N -0.08 0.72 0.66 0.57 4.21 -1.21 -0.32 115.58 120.13 1d2k h ASN 396 Ca 0.21 -0.08 -0.03 0.00 1.21 0.00 0.00 56.30 57.61 1d2k h ASN 396 Cb 0.40 -0.18 -0.00 0.00 -1.12 0.00 0.00 38.32 37.41 1d2k h ASN 396 CO -0.48 0.63 -0.16 1.23 -1.29 0.00 0.00 177.43 177.36 1d2k h GLY 397 N 0.91 0.00 1.53 2.83 0.00 0.12 -0.60 103.07 107.86 1d2k h GLY 397 Ca 0.19 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.52 1d2k h GLY 397 CO -0.02 0.00 -0.08 1.04 0.00 0.00 0.00 176.54 177.48 1d2k n LEU 398 N -3.46 0.15 0.00 3.11 4.32 0.11 -4.78 117.00 116.45 1d2k n LEU 398 Ca -0.01 0.28 0.00 0.00 -0.02 0.00 0.00 56.01 56.26 1d2k n LEU 398 Cb 0.33 -0.34 0.00 0.00 -1.62 0.00 0.00 43.42 41.78 1d2k n LEU 398 CO 0.31 0.03 0.00 0.61 -1.22 0.00 0.00 177.39 177.12 1d2k n GLY 399 N 1.39 1.18 0.00 -0.72 0.00 -0.24 -4.81 105.19 101.99 1d2k n GLY 399 Ca 0.10 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.12 1d2k n GLY 399 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1d2k n GLY 400 N -0.86 -0.43 0.36 -0.02 0.00 -0.60 -4.32 105.19 99.33 1d2k n GLY 400 Ca 0.00 -1.78 0.11 0.00 0.00 0.00 0.00 46.02 44.35 1d2k n GLY 400 CO 0.00 0.00 0.00 -0.91 0.00 0.00 0.00 173.32 172.41 1d2k h THR 401 N 0.00 0.81 0.00 2.61 1.35 -1.93 -1.24 112.91 114.50 1d2k h THR 401 Ca 0.00 -0.28 0.00 0.00 -0.55 0.00 0.00 66.41 65.58 1d2k h THR 401 Cb 0.00 -0.09 0.00 0.00 -1.73 0.00 0.00 68.15 66.33 1d2k h THR 401 CO 0.00 0.15 0.06 1.23 -0.25 0.00 0.00 175.52 176.71 1d2k h GLY 402 N 0.82 0.00 -1.61 5.82 0.00 -1.98 -0.97 103.07 105.16 1d2k h GLY 402 Ca 0.52 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.85 1d2k h GLY 402 CO -0.30 0.00 0.00 0.28 0.00 0.00 0.00 176.54 176.52 1d2k n LYS 403 N -3.03 2.17 -2.07 4.80 4.76 -0.47 -4.94 118.16 119.39 1d2k n LYS 403 Ca -0.03 -1.73 -0.32 0.00 -2.87 0.00 0.00 58.31 53.37 1d2k n LYS 403 Cb 0.13 -1.47 -0.01 0.00 -1.84 0.00 0.00 35.03 31.84 1d2k n LYS 403 CO 0.00 0.00 0.00 -0.51 -1.37 0.00 0.00 177.40 175.52 1d2k s LEU 404 N -1.77 3.39 0.20 -0.35 1.43 -0.37 -1.72 118.68 119.48 1d2k s LEU 404 Ca 0.34 1.51 -0.32 0.00 -1.03 0.00 0.00 54.13 54.63 1d2k s LEU 404 Cb 0.21 -4.49 -0.12 0.00 0.03 0.00 0.00 46.19 41.82 1d2k s LEU 404 CO 0.31 -0.80 1.72 -0.70 0.23 0.00 0.00 176.35 177.10 1d2k s GLU 405 N -4.68 4.13 -0.33 1.70 2.12 0.15 -4.54 118.70 117.25 1d2k s GLU 405 Ca 0.57 2.59 -0.09 0.00 0.36 0.00 0.00 54.97 58.39 1d2k s GLU 405 Cb -0.11 -3.13 0.01 0.00 0.26 0.00 0.00 34.13 31.16 1d2k s GLU 405 CO 0.44 -0.75 0.16 -0.65 -0.54 0.00 0.00 175.26 173.92 1d2k s GLN 406 N 1.33 3.12 -0.29 4.30 -1.52 -1.26 -4.96 119.66 120.37 1d2k s GLN 406 Ca 0.75 -0.87 -0.01 0.00 -1.95 0.00 0.00 55.36 53.28 1d2k s GLN 406 Cb -0.49 -3.59 0.18 0.00 -0.22 0.00 0.00 33.01 28.90 1d2k s GLN 406 CO 0.32 -0.52 0.57 0.50 -0.25 0.00 0.00 175.29 175.92 1d2k s ARG 407 N 1.57 0.54 0.36 2.91 3.00 -1.26 -5.02 118.95 121.05 1d2k s ARG 407 Ca 0.03 0.95 -0.28 0.00 -1.00 0.00 0.00 55.73 55.43 1d2k s ARG 407 Cb -0.18 0.43 -0.12 0.00 0.00 0.00 0.00 34.95 35.09 1d2k s ARG 407 CO 0.06 -0.63 1.39 -1.91 0.00 0.00 0.00 175.30 174.21 1d2k n GLU 408 N 5.42 2.40 -1.94 5.12 2.13 -1.26 -4.64 120.64 127.87 1d2k n GLU 408 Ca -0.01 0.84 -0.29 0.00 0.66 0.00 0.00 57.16 58.35 1d2k n GLU 408 Cb 0.51 -2.50 0.16 0.00 0.27 0.00 0.00 31.44 29.88 1d2k n GLU 408 CO 0.00 0.00 0.00 0.54 -0.41 0.00 0.00 177.13 177.26 1d2k s ASN 409 N -0.20 3.56 -0.17 4.31 2.20 0.27 -5.01 114.94 119.90 1d2k s ASN 409 Ca 0.55 0.41 -0.06 0.00 -0.94 0.00 0.00 52.86 52.82 1d2k s ASN 409 Cb -0.52 -0.59 -0.03 0.00 -2.00 0.00 0.00 41.25 38.10 1d2k s ASN 409 CO 0.63 -2.47 0.02 -0.70 -2.94 0.00 0.00 177.10 171.64 1d2k s GLU 410 N -5.78 3.84 -0.01 3.55 2.56 -1.26 -4.95 118.70 116.65 1d2k s GLU 410 Ca 0.70 -0.42 0.09 0.00 0.00 0.00 0.00 54.97 55.34 1d2k s GLU 410 Cb -0.06 -3.08 -0.13 0.00 2.00 0.00 0.00 34.13 32.87 1d2k s GLU 410 CO 0.52 0.27 0.23 1.28 -0.56 0.00 0.00 175.26 176.99 1d2k n LEU 411 N 3.51 0.09 -4.60 2.70 4.77 -1.26 -4.89 117.00 117.32 1d2k n LEU 411 Ca -0.17 -0.12 -0.42 0.00 -0.03 0.00 0.00 56.01 55.27 1d2k n LEU 411 Cb 0.52 0.00 -0.05 0.00 -2.33 0.00 0.00 43.42 41.56 1d2k n LEU 411 CO 0.34 0.02 0.61 -0.55 -1.33 0.00 0.00 177.39 176.49 1d2k s SER 412 N -2.73 6.60 -0.48 -1.43 0.15 -1.26 -4.86 113.70 109.69 1d2k s SER 412 Ca -0.02 0.47 0.06 0.00 0.70 0.00 0.00 55.95 57.16 1d2k s SER 412 Cb 0.06 -2.41 0.21 0.00 -1.71 0.00 0.00 66.02 62.17 1d2k s SER 412 CO 0.36 -0.73 0.48 -1.22 1.20 0.00 0.00 173.24 173.33 1d2k n TYR 413 N 6.43 0.48 0.29 3.44 4.02 -1.26 -4.97 117.16 125.58 1d2k n TYR 413 Ca 0.04 -3.65 0.18 0.00 -0.01 0.00 0.00 57.90 54.45 1d2k n TYR 413 Cb 0.48 -0.18 0.77 0.00 -0.02 0.00 0.00 39.34 40.39 1d2k n TYR 413 CO 0.00 0.00 0.00 -1.00 -1.01 0.00 0.00 176.86 174.85 1d2k h PRO 414 N 4.84 0.00 -0.35 -0.72 0.13 -1.91 -2.95 132.00 131.03 1d2k h PRO 414 Ca 0.17 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.30 1d2k h PRO 414 Cb 0.84 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.97 1d2k h PRO 414 CO 0.51 0.02 0.00 0.39 -0.23 0.00 0.00 178.00 178.69 1d2k n GLU 415 N -3.13 2.29 -2.16 0.86 1.02 -1.26 -4.97 120.64 113.29 1d2k n GLU 415 Ca -0.00 -1.95 -0.40 0.00 -0.02 0.00 0.00 57.16 54.79 1d2k n GLU 415 Cb 0.27 -1.48 -0.02 0.00 -0.02 0.00 0.00 31.44 30.20 1d2k n GLU 415 CO 0.00 0.00 0.00 0.45 1.18 0.00 0.00 177.13 178.76 1d2k s SER 416 N -1.45 6.60 0.06 1.62 0.15 -1.11 -4.81 113.70 114.76 1d2k s SER 416 Ca 0.37 2.57 0.22 0.00 0.70 0.00 0.00 55.95 59.81 1d2k s SER 416 Cb 0.21 -2.64 0.92 0.00 -1.71 0.00 0.00 66.02 62.81 1d2k s SER 416 CO 0.30 -0.64 1.71 0.55 1.20 0.00 0.00 173.24 176.35 1d2k n VAL 417 N 0.44 0.55 -3.56 4.45 3.14 -1.26 -4.69 118.33 117.40 1d2k n VAL 417 Ca 0.02 0.09 -0.37 0.00 -2.96 0.00 0.00 64.34 61.12 1d2k n VAL 417 Cb 0.44 -0.78 -0.09 0.00 -1.06 0.00 0.00 33.84 32.35 1d2k n VAL 417 CO 0.00 0.00 0.00 -0.31 -6.46 0.00 0.00 176.83 170.06 1d2k s TYR 418 N -3.05 3.35 0.09 1.45 1.51 -1.26 -4.69 117.35 114.74 1d2k s TYR 418 Ca 0.10 0.39 -0.19 0.00 -1.01 0.00 0.00 57.07 56.36 1d2k s TYR 418 Cb 0.13 -2.36 -0.08 0.00 -0.11 0.00 0.00 41.96 39.54 1d2k s TYR 418 CO 0.42 0.06 1.56 -0.44 -1.11 0.00 0.00 175.55 176.04 1d2k h ASP 419 N 7.39 0.37 -0.95 2.29 5.19 -1.03 -2.16 116.42 127.52 1d2k h ASP 419 Ca -0.38 -0.26 0.01 0.00 -0.62 0.00 0.00 57.03 55.79 1d2k h ASP 419 Cb 1.17 -0.10 -0.05 0.00 0.18 0.00 0.00 39.33 40.53 1d2k h ASP 419 CO 0.69 0.53 0.63 -0.55 -3.12 0.00 0.00 179.24 177.42 1d2k h ASN 420 N 0.20 1.08 0.08 6.45 -1.07 -1.87 -1.47 115.58 118.97 1d2k h ASN 420 Ca 0.07 -0.02 -0.00 0.00 0.07 0.00 0.00 56.30 56.41 1d2k h ASN 420 Cb 0.32 -0.26 0.00 0.00 -2.07 0.00 0.00 38.32 36.30 1d2k h ASN 420 CO 0.00 0.77 -0.04 0.25 0.07 0.00 0.00 177.43 178.49 1d2k h LEU 421 N 1.27 -0.09 -1.96 6.14 5.85 -1.87 0.27 115.31 124.92 1d2k h LEU 421 Ca 0.35 -0.22 -0.00 0.00 0.84 0.00 0.00 57.88 58.85 1d2k h LEU 421 Cb -0.12 0.02 -0.00 0.00 0.37 0.00 0.00 40.66 40.93 1d2k h LEU 421 CO -0.09 0.18 -0.01 0.07 -0.34 0.00 0.00 178.44 178.25 1d2k h LYS 422 N -0.35 0.00 -0.35 1.25 2.10 -1.26 -0.37 116.57 117.59 1d2k h LYS 422 Ca -0.01 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.64 1d2k h LYS 422 Cb 0.30 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.63 1d2k h LYS 422 CO 0.02 0.01 0.00 0.09 -2.00 0.00 0.00 179.45 177.57 1d2k n ASN 423 N -3.13 2.11 -0.71 7.07 4.13 -0.57 -4.79 115.26 119.38 1d2k n ASN 423 Ca -0.01 -1.93 -0.06 0.00 1.68 0.00 0.00 54.58 54.26 1d2k n ASN 423 Cb 0.23 -0.23 -0.01 0.00 -1.54 0.00 0.00 39.78 38.23 1d2k n ASN 423 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 1d2k n GLY 424 N 1.16 0.20 3.74 7.41 0.00 -0.15 -3.97 105.19 113.57 1d2k n GLY 424 Ca 0.14 -0.63 -0.32 0.00 0.00 0.00 0.00 46.02 45.21 1d2k n GLY 424 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 173.32 174.35 1d2k n MET 425 N -1.76 -1.47 -0.05 1.61 2.81 0.94 -4.94 117.12 114.27 1d2k n MET 425 Ca -0.08 0.43 -0.13 0.00 -1.81 0.00 0.00 57.70 56.12 1d2k n MET 425 Cb 0.52 -4.08 -0.11 0.00 -0.71 0.00 0.00 33.22 28.83 1d2k n MET 425 CO 0.00 0.00 0.00 -1.00 1.51 0.00 0.00 175.97 176.48 1d2k h PRO 426 N -1.94 -0.02 0.00 0.03 0.13 -1.78 -3.51 132.00 124.91 1d2k h PRO 426 Ca -0.66 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.47 1d2k h PRO 426 Cb 1.37 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.50 1d2k h PRO 426 CO 0.50 0.76 0.00 0.43 -0.23 0.00 0.00 178.00 179.46