#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1urg s THR 31 N 0.00 0.92 -0.15 5.09 -4.23 -1.26 -1.96 115.64 114.05 1urg s THR 31 Ca 0.00 -1.34 0.00 0.00 -1.18 0.00 0.00 61.69 59.17 1urg s THR 31 Cb 0.00 -1.04 -0.01 0.00 1.34 0.00 0.00 72.50 72.80 1urg s THR 31 CO 0.00 -0.36 -0.14 -0.63 -0.54 0.00 0.00 174.62 172.95 1urg s ILE 32 N -1.63 2.80 -0.17 2.99 1.01 0.76 -4.93 121.20 122.04 1urg s ILE 32 Ca -0.02 -0.73 -0.06 0.00 0.00 0.00 0.00 60.65 59.84 1urg s ILE 32 Cb -0.08 -2.18 -0.04 0.00 0.01 0.00 0.00 42.46 40.17 1urg s ILE 32 CO 0.01 0.51 0.04 -0.89 0.00 0.00 0.00 174.94 174.62 1urg s THR 33 N 0.68 4.59 -0.12 2.92 2.01 -1.26 -1.08 115.64 123.38 1urg s THR 33 Ca -0.07 -0.11 0.02 0.00 0.31 0.00 0.00 61.69 61.84 1urg s THR 33 Cb -0.16 -3.05 -0.01 0.00 0.01 0.00 0.00 72.50 69.30 1urg s THR 33 CO 0.02 0.48 -0.18 -0.69 -0.69 0.00 0.00 174.62 173.56 1urg s VAL 34 N 0.24 2.54 -0.19 3.82 1.01 0.79 -0.85 120.40 127.76 1urg s VAL 34 Ca 0.02 -0.84 -0.05 0.00 0.00 0.00 0.00 61.98 61.11 1urg s VAL 34 Cb -0.13 -2.03 -0.03 0.00 0.00 0.00 0.00 36.38 34.20 1urg s VAL 34 CO 0.01 0.54 0.00 0.26 0.00 0.00 0.00 175.10 175.91 1urg s TRP 35 N 0.40 3.06 -0.14 5.22 0.52 -0.25 -0.35 118.94 127.40 1urg s TRP 35 Ca -0.14 -0.36 0.00 0.00 0.02 0.00 0.00 56.10 55.63 1urg s TRP 35 Cb -0.17 -2.06 -0.01 0.00 -1.15 0.00 0.00 33.47 30.08 1urg s TRP 35 CO 0.07 -0.15 -0.15 0.45 0.02 0.00 0.00 176.95 177.19 1urg s SER 36 N 0.81 3.83 0.00 2.95 0.15 0.15 -0.41 113.70 121.17 1urg s SER 36 Ca 0.01 -0.39 0.22 0.00 0.70 0.00 0.00 55.95 56.49 1urg s SER 36 Cb -0.14 -1.58 0.54 0.00 -1.71 0.00 0.00 66.02 63.13 1urg s SER 36 CO 0.02 0.14 1.45 0.79 1.20 0.00 0.00 173.24 176.84 1urg n TRP 37 N 3.69 0.35 -4.20 3.44 8.01 -0.51 -0.91 117.44 127.31 1urg n TRP 37 Ca -0.18 -0.17 -0.35 0.00 -1.31 0.00 0.00 57.50 55.48 1urg n TRP 37 Cb 0.52 0.00 -0.09 0.00 -2.01 0.00 0.00 31.31 29.73 1urg n TRP 37 CO 0.00 0.00 0.00 -0.65 -1.01 0.00 0.00 177.69 176.03 1urg s GLN 38 N -1.65 3.39 0.00 -0.99 -1.52 -1.26 -4.41 119.66 113.22 1urg s GLN 38 Ca 0.35 -0.36 0.00 0.00 -1.95 0.00 0.00 55.36 53.41 1urg s GLN 38 Cb 0.20 -2.98 0.00 0.00 -0.22 0.00 0.00 33.01 30.01 1urg s GLN 38 CO 0.29 0.55 0.00 -2.37 -0.25 0.00 0.00 175.29 173.52 1urg n THR 39 N 2.63 0.00 -4.58 -0.19 5.66 -1.26 -4.46 114.28 112.08 1urg n THR 39 Ca -0.18 0.00 0.00 0.00 -3.05 0.00 0.00 64.05 60.82 1urg n THR 39 Cb 0.53 0.00 0.00 0.00 -1.55 0.00 0.00 70.33 69.31 1urg n THR 39 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 175.07 172.63 1urg n GLY 40 N 4.04 0.34 0.31 1.09 0.00 -1.26 -3.56 105.19 106.15 1urg n GLY 40 Ca 0.00 -0.86 0.10 0.00 0.00 0.00 0.00 46.02 45.26 1urg n GLY 40 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 1urg h PRO 41 N 0.00 0.45 -0.76 1.61 0.11 -2.00 -1.01 132.00 130.41 1urg h PRO 41 Ca 0.00 -0.03 -0.02 0.00 0.11 0.00 0.00 66.00 66.06 1urg h PRO 41 Cb 0.00 -0.10 -0.04 0.00 0.11 0.00 0.00 31.00 30.97 1urg h PRO 41 CO 0.00 0.30 0.40 0.93 -0.21 0.00 0.00 178.00 179.42 1urg h GLU 42 N 0.47 1.07 -0.87 1.05 5.08 -1.90 -2.00 114.58 117.47 1urg h GLU 42 Ca 0.50 -0.13 -0.00 0.00 -1.00 0.00 0.00 59.36 58.73 1urg h GLU 42 Cb 0.86 -0.21 -0.04 0.00 0.50 0.00 0.00 28.75 29.87 1urg h GLU 42 CO -0.46 0.80 0.53 1.25 -1.00 0.00 0.00 179.01 180.12 1urg h LEU 43 N 1.07 1.04 -1.03 1.33 5.85 -1.23 -0.28 115.31 122.05 1urg h LEU 43 Ca 0.27 -0.06 -0.04 0.00 0.84 0.00 0.00 57.88 58.88 1urg h LEU 43 Cb 0.06 -0.26 -0.03 0.00 0.37 0.00 0.00 40.66 40.80 1urg h LEU 43 CO -0.04 0.79 0.20 1.56 -0.34 0.00 0.00 178.44 180.61 1urg h GLN 44 N 1.19 0.89 -0.52 1.25 1.08 -1.18 -1.16 115.11 116.66 1urg h GLN 44 Ca 0.31 -0.16 -0.10 0.00 -1.45 0.00 0.00 58.65 57.25 1urg h GLN 44 Cb -0.06 -0.14 -0.02 0.00 -0.05 0.00 0.00 27.48 27.21 1urg h GLN 44 CO -0.06 0.76 -0.07 -0.44 -0.95 0.00 0.00 178.83 178.07 1urg h ASP 45 N 0.87 0.97 -0.79 1.46 3.32 -0.76 -2.01 116.42 119.47 1urg h ASP 45 Ca 0.20 -0.34 0.04 0.00 0.02 0.00 0.00 57.03 56.95 1urg h ASP 45 Cb 0.24 -0.26 -0.05 0.00 0.22 0.00 0.00 39.33 39.47 1urg h ASP 45 CO -0.01 1.08 0.50 0.58 -1.72 0.00 0.00 179.24 179.66 1urg h VAL 46 N 0.84 1.09 -0.61 -1.35 2.07 -0.45 -1.36 116.25 116.47 1urg h VAL 46 Ca 0.14 -0.33 -0.10 0.00 0.82 0.00 0.00 66.70 67.24 1urg h VAL 46 Cb 0.62 0.06 -0.02 0.00 -1.52 0.00 0.00 31.29 30.43 1urg h VAL 46 CO 0.04 0.17 0.00 0.11 0.02 0.00 0.00 177.57 177.91 1urg h LYS 47 N 0.95 1.08 -0.17 1.57 1.57 -0.95 -1.22 116.57 119.41 1urg h LYS 47 Ca 0.32 -0.34 -0.15 0.00 -1.87 0.00 0.00 60.65 58.61 1urg h LYS 47 Cb 0.06 -0.10 -0.01 0.00 0.08 0.00 0.00 32.23 32.26 1urg h LYS 47 CO -0.13 1.05 -0.54 -0.56 -0.57 0.00 0.00 179.45 178.69 1urg h GLN 48 N 0.98 0.50 -0.42 3.15 3.07 -0.99 -0.75 115.11 120.65 1urg h GLN 48 Ca 0.17 -0.31 -0.15 0.00 0.09 0.00 0.00 58.65 58.45 1urg h GLN 48 Cb 0.56 0.03 -0.01 0.00 0.08 0.00 0.00 27.48 28.15 1urg h GLN 48 CO 0.03 0.91 -0.32 0.82 0.09 0.00 0.00 178.83 180.37 1urg h ILE 49 N 0.38 1.27 -0.55 1.86 2.04 -1.17 -2.28 117.51 119.06 1urg h ILE 49 Ca 0.01 -1.49 -0.06 0.00 1.00 0.00 0.00 64.86 64.32 1urg h ILE 49 Cb 1.07 1.28 -0.02 0.00 -0.74 0.00 0.00 36.82 38.42 1urg h ILE 49 CO 0.10 0.50 0.10 0.00 0.00 0.00 0.00 178.15 178.85 1urg h ALA 50 N 0.81 0.73 -0.85 1.87 0.00 -1.11 -1.85 119.26 118.84 1urg h ALA 50 Ca 0.08 -0.24 0.03 0.00 0.00 0.00 0.00 54.91 54.78 1urg h ALA 50 Cb 0.91 -0.21 -0.05 0.00 0.00 0.00 0.00 17.79 18.44 1urg h ALA 50 CO 0.08 0.46 0.56 0.00 0.00 0.00 0.00 179.25 180.35 1urg h ALA 51 N 1.00 1.11 -0.47 0.00 0.00 -0.99 0.03 119.26 119.93 1urg h ALA 51 Ca 0.17 -0.04 -0.08 0.00 0.00 0.00 0.00 54.91 54.95 1urg h ALA 51 Cb 0.40 -0.31 -0.02 0.00 0.00 0.00 0.00 17.79 17.86 1urg h ALA 51 CO 0.01 0.42 -0.03 1.96 0.00 0.00 0.00 179.25 181.61 1urg h GLN 52 N 1.10 0.86 -0.71 0.00 4.20 -1.20 -2.12 115.11 117.24 1urg h GLN 52 Ca 0.33 -0.29 -0.03 0.00 0.06 0.00 0.00 58.65 58.73 1urg h GLN 52 Cb -0.04 -0.07 -0.03 0.00 0.30 0.00 0.00 27.48 27.64 1urg h GLN 52 CO -0.10 0.92 0.33 2.35 -0.67 0.00 0.00 178.83 181.65 1urg h TRP 53 N 0.71 1.03 -0.37 2.96 7.01 -0.91 -2.84 115.95 123.55 1urg h TRP 53 Ca 0.13 -0.06 -0.06 0.00 2.11 0.00 0.00 58.89 61.02 1urg h TRP 53 Cb 0.55 -0.32 -0.02 0.00 -2.10 0.00 0.00 29.16 27.27 1urg h TRP 53 CO 0.04 0.77 -0.01 0.00 -2.79 0.00 0.00 178.44 176.45 1urg h ALA 54 N 1.16 1.29 -0.46 2.65 0.00 -0.79 -1.88 119.26 121.23 1urg h ALA 54 Ca 0.24 -0.22 -0.01 0.00 0.00 0.00 0.00 54.91 54.92 1urg h ALA 54 Cb 0.14 -0.16 -0.02 0.00 0.00 0.00 0.00 17.79 17.75 1urg h ALA 54 CO -0.03 0.48 0.24 0.87 0.00 0.00 0.00 179.25 180.81 1urg h LYS 55 N 0.56 0.63 0.22 0.00 1.57 -1.13 0.34 116.57 118.75 1urg h LYS 55 Ca 0.12 -0.06 -0.31 0.00 -1.87 0.00 0.00 60.65 58.52 1urg h LYS 55 Cb 0.37 -0.13 0.03 0.00 0.08 0.00 0.00 32.23 32.58 1urg h LYS 55 CO 0.01 0.47 -1.43 0.00 -0.57 0.00 0.00 179.45 177.93 1urg h ALA 56 N 1.63 -0.06 0.00 3.86 0.00 -1.49 -3.38 119.26 119.83 1urg h ALA 56 Ca 0.16 -0.91 -0.11 0.00 0.00 0.00 0.00 54.91 54.05 1urg h ALA 56 Cb 0.03 0.25 -0.02 0.00 0.00 0.00 0.00 17.79 18.05 1urg h ALA 56 CO -0.03 0.72 -0.84 0.45 0.00 0.00 0.00 179.25 179.55 1urg h HIS 57 N 0.02 0.00 0.00 0.00 3.86 -1.14 -3.48 115.15 114.41 1urg h HIS 57 Ca -0.26 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 58.95 1urg h HIS 57 Cb 2.05 0.00 0.00 0.00 1.06 0.00 0.00 27.41 30.52 1urg h HIS 57 CO 0.13 0.45 0.00 0.41 0.86 0.00 0.00 177.93 179.79 1urg n GLY 58 N 1.27 3.08 3.79 2.45 0.00 0.12 -5.03 105.19 110.87 1urg n GLY 58 Ca -0.02 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.65 1urg n GLY 58 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1urg s ASP 59 N -1.20 6.38 -0.11 1.61 1.01 -1.26 -4.85 116.67 118.25 1urg s ASP 59 Ca 0.00 2.01 -0.19 0.00 0.71 0.00 0.00 52.55 55.08 1urg s ASP 59 Cb 0.00 -2.57 -0.04 0.00 1.01 0.00 0.00 42.92 41.32 1urg s ASP 59 CO 0.00 -0.76 0.52 -0.54 0.21 0.00 0.00 175.17 174.60 1urg s LYS 60 N -3.00 4.35 -0.16 8.23 1.02 -0.83 -4.67 119.74 124.68 1urg s LYS 60 Ca 0.65 0.52 -0.02 0.00 0.02 0.00 0.00 55.97 57.14 1urg s LYS 60 Cb -0.19 -3.44 -0.02 0.00 -0.52 0.00 0.00 37.83 33.65 1urg s LYS 60 CO 0.24 0.12 -0.08 0.08 -0.92 0.00 0.00 175.35 174.79 1urg s VAL 61 N 0.71 3.36 -0.15 3.17 1.01 -1.26 -0.17 120.40 127.07 1urg s VAL 61 Ca 0.28 -0.54 -0.01 0.00 0.00 0.00 0.00 61.98 61.71 1urg s VAL 61 Cb -0.16 -2.46 -0.02 0.00 0.00 0.00 0.00 36.38 33.75 1urg s VAL 61 CO 0.12 0.49 -0.10 -0.63 0.00 0.00 0.00 175.10 174.97 1urg s ILE 62 N 0.66 3.27 -0.16 2.22 -1.09 -0.24 -4.96 121.20 120.90 1urg s ILE 62 Ca -0.04 -0.57 -0.03 0.00 -2.23 0.00 0.00 60.65 57.77 1urg s ILE 62 Cb -0.15 -2.40 -0.02 0.00 -1.58 0.00 0.00 42.46 38.30 1urg s ILE 62 CO 0.02 0.51 -0.06 -0.69 -1.23 0.00 0.00 174.94 173.49 1urg s VAL 63 N 0.50 3.65 -0.12 2.92 1.01 -1.26 -0.15 120.40 126.95 1urg s VAL 63 Ca -0.07 -0.44 0.02 0.00 0.00 0.00 0.00 61.98 61.49 1urg s VAL 63 Cb -0.15 -2.60 -0.01 0.00 0.00 0.00 0.00 36.38 33.62 1urg s VAL 63 CO 0.04 0.49 -0.18 -0.69 0.00 0.00 0.00 175.10 174.75 1urg s VAL 64 N 0.52 2.57 -0.43 2.92 1.01 0.52 -4.98 120.40 122.53 1urg s VAL 64 Ca -0.04 -0.83 -0.25 0.00 0.00 0.00 0.00 61.98 60.85 1urg s VAL 64 Cb -0.15 -2.04 0.02 0.00 0.00 0.00 0.00 36.38 34.22 1urg s VAL 64 CO 0.03 0.54 0.91 -0.62 0.00 0.00 0.00 175.10 175.96 1urg s ASP 65 N 0.37 6.54 0.00 3.32 -1.08 -1.26 -0.68 116.67 123.88 1urg s ASP 65 Ca -0.14 0.23 0.16 0.00 -0.52 0.00 0.00 52.55 52.28 1urg s ASP 65 Cb -0.17 -2.45 0.31 0.00 -1.46 0.00 0.00 42.92 39.15 1urg s ASP 65 CO 0.07 -0.98 1.22 0.00 0.52 0.00 0.00 175.17 175.99 1urg n GLN 66 N 7.02 2.13 -0.04 4.34 1.13 -0.09 -4.64 117.38 127.24 1urg n GLN 66 Ca 0.06 -1.95 0.17 0.00 -1.94 0.00 0.00 57.00 53.34 1urg n GLN 66 Cb 0.48 -1.37 0.61 0.00 0.11 0.00 0.00 30.24 30.08 1urg n GLN 66 CO 0.00 0.00 0.00 0.66 -1.44 0.00 0.00 177.06 176.28 1urg h SER 67 N 3.14 0.15 0.06 1.08 4.64 -1.76 -1.86 113.55 119.00 1urg h SER 67 Ca 0.00 0.01 0.00 0.00 -0.47 0.00 0.00 61.79 61.33 1urg h SER 67 Cb 0.78 -0.02 0.00 0.00 -0.31 0.00 0.00 62.40 62.84 1urg h SER 67 CO 0.00 0.08 -0.25 -1.20 -0.87 0.00 0.00 176.83 174.59 1urg n SER 68 N -4.42 1.79 -4.65 4.97 7.64 -1.26 -4.94 113.62 112.75 1urg n SER 68 Ca 0.10 -1.40 -0.45 0.00 1.01 0.00 0.00 58.87 58.13 1urg n SER 68 Cb 0.53 0.21 -0.04 0.00 -1.01 0.00 0.00 64.21 63.90 1urg n SER 68 CO 0.00 0.00 0.00 -3.20 -3.01 0.00 0.00 175.04 168.83 1urg n ASN 69 N 0.05 3.61 0.26 6.43 2.85 -0.70 -4.84 115.26 122.91 1urg n ASN 69 Ca 0.13 0.80 0.18 0.00 -0.11 0.00 0.00 54.58 55.58 1urg n ASN 69 Cb 0.43 -1.45 0.90 0.00 1.24 0.00 0.00 39.78 40.90 1urg n ASN 69 CO 0.00 0.00 0.00 1.55 -2.11 0.00 0.00 177.26 176.70 1urg h PRO 70 N 10.78 0.00 0.00 1.20 0.13 -1.92 0.12 132.00 142.32 1urg h PRO 70 Ca -0.47 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.66 1urg h PRO 70 Cb 1.26 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.39 1urg h PRO 70 CO 0.95 0.00 0.00 1.63 -0.23 0.00 0.00 178.00 180.35 1urg n LYS 71 N -3.43 0.07 0.00 0.86 4.01 -1.26 -5.00 118.16 113.41 1urg n LYS 71 Ca 0.00 0.25 0.00 0.00 -0.51 0.00 0.00 58.31 58.05 1urg n LYS 71 Cb 0.31 -1.61 0.00 0.00 -0.51 0.00 0.00 35.03 33.22 1urg n LYS 71 CO 0.00 0.00 0.00 0.41 -1.11 0.00 0.00 177.40 176.70 1urg n GLY 72 N 0.33 -1.53 0.36 0.72 0.00 0.03 -3.87 105.19 101.21 1urg n GLY 72 Ca 0.04 -1.27 0.02 0.00 0.00 0.00 0.00 46.02 44.81 1urg n GLY 72 CO 0.00 0.00 0.00 0.74 0.00 0.00 0.00 173.32 174.06 1urg h PHE 73 N 0.00 0.98 0.00 1.61 -1.00 -1.93 -1.81 116.94 114.79 1urg h PHE 73 Ca 0.00 0.02 0.00 0.00 2.81 0.00 0.00 57.97 60.80 1urg h PHE 73 Cb 0.00 -0.33 0.00 0.00 3.61 0.00 0.00 35.95 39.23 1urg h PHE 73 CO 0.00 0.58 0.00 1.04 -1.61 0.00 0.00 178.31 178.32 1urg n GLN 74 N -4.44 0.41 0.28 1.51 1.13 -1.26 -2.82 117.38 112.19 1urg n GLN 74 Ca 0.10 0.03 0.15 0.00 -1.94 0.00 0.00 57.00 55.34 1urg n GLN 74 Cb 0.09 -1.50 0.82 0.00 0.11 0.00 0.00 30.24 29.76 1urg n GLN 74 CO 0.00 0.00 0.00 0.35 -1.44 0.00 0.00 177.06 175.97 1urg h PHE 75 N 0.00 0.00 -0.89 1.08 3.57 -1.43 -2.30 116.94 116.97 1urg h PHE 75 Ca 0.00 0.00 -0.00 0.00 3.53 0.00 0.00 57.97 61.50 1urg h PHE 75 Cb 0.02 0.00 -0.04 0.00 2.79 0.00 0.00 35.95 38.72 1urg h PHE 75 CO 0.00 0.08 0.54 -0.92 -2.23 0.00 0.00 178.31 175.77 1urg h TYR 76 N 0.00 1.18 -0.26 0.41 3.20 -1.76 -0.97 116.97 118.76 1urg h TYR 76 Ca -0.00 -0.00 -0.07 0.00 3.14 0.00 0.00 58.73 61.80 1urg h TYR 76 Cb 0.24 -0.39 -0.01 0.00 1.54 0.00 0.00 36.73 38.12 1urg h TYR 76 CO 0.00 0.78 -0.10 0.00 -1.64 0.00 0.00 178.16 177.20 1urg h ALA 77 N 1.29 0.36 -0.39 1.82 0.00 -1.68 0.16 119.26 120.82 1urg h ALA 77 Ca 0.32 -0.30 0.06 0.00 0.00 0.00 0.00 54.91 54.99 1urg h ALA 77 Cb -0.05 -0.09 -0.05 0.00 0.00 0.00 0.00 17.79 17.60 1urg h ALA 77 CO -0.06 0.21 0.08 1.15 0.00 0.00 0.00 179.25 180.62 1urg h THR 78 N 0.26 0.80 -0.06 0.00 2.02 -1.40 0.45 112.91 114.98 1urg h THR 78 Ca 0.06 -0.07 -0.02 0.00 0.77 0.00 0.00 66.41 67.15 1urg h THR 78 Cb 0.60 0.58 -0.00 0.00 -1.74 0.00 0.00 68.15 67.58 1urg h THR 78 CO 0.03 0.04 -0.04 0.00 0.37 0.00 0.00 175.52 175.92 1urg h ALA 79 N 1.30 0.09 0.00 6.16 0.00 -1.11 -3.19 119.26 122.51 1urg h ALA 79 Ca 0.19 -0.26 -0.01 0.00 0.00 0.00 0.00 54.91 54.83 1urg h ALA 79 Cb 0.22 -0.02 -0.00 0.00 0.00 0.00 0.00 17.79 17.99 1urg h ALA 79 CO -0.25 -0.14 -0.04 0.00 0.00 0.00 0.00 179.25 178.82 1urg h ALA 80 N 0.58 1.29 -0.01 0.00 0.00 -0.41 -1.09 119.26 119.62 1urg h ALA 80 Ca 0.01 -0.04 -0.12 0.00 0.00 0.00 0.00 54.91 54.77 1urg h ALA 80 Cb 0.52 -0.01 -0.02 0.00 0.00 0.00 0.00 17.79 18.29 1urg h ALA 80 CO 0.01 0.05 -0.55 0.00 0.00 0.00 0.00 179.25 178.77 1urg h ARG 81 N 0.00 0.04 -0.46 0.00 3.08 -0.90 -3.09 114.38 113.05 1urg h ARG 81 Ca -0.00 -0.02 -0.01 0.00 0.07 0.00 0.00 59.98 60.02 1urg h ARG 81 Cb 0.15 0.00 -0.00 0.00 0.08 0.00 0.00 29.97 30.20 1urg h ARG 81 CO 0.01 0.57 0.01 0.25 -1.07 0.00 0.00 179.97 179.73 1urg n THR 82 N -3.89 2.60 -1.40 2.04 -2.24 -0.80 -4.94 114.28 105.65 1urg n THR 82 Ca -0.01 -1.60 -0.13 0.00 -2.27 0.00 0.00 64.05 60.03 1urg n THR 82 Cb 0.56 -0.27 -0.06 0.00 -2.10 0.00 0.00 70.33 68.46 1urg n THR 82 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1urg n GLY 83 N 0.17 1.39 0.96 3.38 0.00 -1.14 -4.88 105.19 105.07 1urg n GLY 83 Ca 0.26 -0.40 0.08 0.00 0.00 0.00 0.00 46.02 45.95 1urg n GLY 83 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1urg n LYS 84 N -2.61 3.13 -1.88 1.61 5.02 -0.48 -5.00 118.16 117.95 1urg n LYS 84 Ca -0.13 -2.60 -0.29 0.00 -2.02 0.00 0.00 58.31 53.26 1urg n LYS 84 Cb 0.44 -1.68 0.08 0.00 -0.02 0.00 0.00 35.03 33.85 1urg n LYS 84 CO 0.00 0.00 0.00 0.20 -0.52 0.00 0.00 177.40 177.08 1urg s GLY 85 N -1.41 1.60 0.81 0.72 0.00 -1.20 -4.75 107.32 103.10 1urg s GLY 85 Ca 0.38 -0.55 -0.11 0.00 0.00 0.00 0.00 44.72 44.44 1urg s GLY 85 CO 0.14 -0.09 1.17 2.56 0.00 0.00 0.00 173.10 176.87 1urg s PRO 86 N -5.50 1.75 -0.01 2.90 0.04 -1.26 -4.97 135.00 127.95 1urg s PRO 86 Ca 0.61 -0.11 -0.16 0.00 0.04 0.00 0.00 61.00 61.38 1urg s PRO 86 Cb -0.11 -1.99 -0.34 0.00 0.04 0.00 0.00 34.50 32.10 1urg s PRO 86 CO 0.50 -1.68 0.90 -0.44 0.04 0.00 0.00 177.00 176.32 1urg h ASP 87 N -1.06 0.72 -4.27 6.66 3.32 -1.38 -3.41 116.42 117.00 1urg h ASP 87 Ca -0.45 -0.93 -0.51 0.00 0.02 0.00 0.00 57.03 55.17 1urg h ASP 87 Cb 1.31 -0.23 -0.28 0.00 0.22 0.00 0.00 39.33 40.34 1urg h ASP 87 CO 0.59 1.66 -0.82 -0.69 -1.72 0.00 0.00 179.24 178.26 1urg s VAL 88 N -2.55 1.26 -0.10 -1.35 1.01 -0.67 -0.93 120.40 117.06 1urg s VAL 88 Ca -0.12 -0.79 0.04 0.00 0.00 0.00 0.00 61.98 61.11 1urg s VAL 88 Cb 0.04 -1.07 -0.01 0.00 0.00 0.00 0.00 36.38 35.34 1urg s VAL 88 CO 0.90 0.27 -0.22 -0.69 0.00 0.00 0.00 175.10 175.35 1urg s VAL 89 N -0.51 2.25 -0.02 2.92 1.01 -0.40 -1.09 120.40 124.56 1urg s VAL 89 Ca 0.05 -0.96 0.07 0.00 0.00 0.00 0.00 61.98 61.14 1urg s VAL 89 Cb -0.07 -1.87 -0.02 0.00 0.00 0.00 0.00 36.38 34.43 1urg s VAL 89 CO 0.00 0.56 -0.22 0.12 0.00 0.00 0.00 175.10 175.55 1urg s PHE 90 N 0.22 2.02 -0.17 5.22 5.36 0.45 -1.19 117.98 129.90 1urg s PHE 90 Ca -0.14 -0.39 -0.00 0.00 -0.96 0.00 0.00 56.93 55.44 1urg s PHE 90 Cb -0.17 -1.30 0.00 0.00 -0.34 0.00 0.00 43.02 41.21 1urg s PHE 90 CO 0.07 -0.04 0.06 0.41 -1.46 0.00 0.00 175.22 174.26 1urg n GLY 91 N 2.54 0.51 3.67 13.12 0.00 -0.21 -1.42 105.19 123.40 1urg n GLY 91 Ca -0.16 -0.70 -0.37 0.00 0.00 0.00 0.00 46.02 44.79 1urg n GLY 91 CO 0.00 0.00 0.00 -0.29 0.00 0.00 0.00 173.32 173.03 1urg s MET 92 N -4.57 4.14 0.31 1.61 0.00 -0.39 -4.33 119.30 116.06 1urg s MET 92 Ca 0.03 0.01 -0.29 0.00 0.00 0.00 0.00 55.69 55.43 1urg s MET 92 Cb -0.01 -3.53 -0.11 0.00 0.00 0.00 0.00 34.83 31.18 1urg s MET 92 CO 0.04 0.03 1.52 -2.14 0.00 0.00 0.00 175.02 174.46 1urg s PRO 93 N 1.13 4.16 0.59 4.11 0.02 -1.26 -0.33 135.00 143.42 1urg s PRO 93 Ca 0.14 2.50 0.29 0.00 0.02 0.00 0.00 61.00 63.95 1urg s PRO 93 Cb -0.14 -3.03 1.76 0.00 0.02 0.00 0.00 34.50 33.11 1urg s PRO 93 CO 0.06 -0.54 2.20 1.12 -0.33 0.00 0.00 177.00 179.51 1urg h HIS 94 N 4.38 0.00 -0.21 6.54 2.07 -1.15 -2.77 115.15 124.01 1urg h HIS 94 Ca -0.48 0.00 -0.01 0.00 -2.85 0.00 0.00 60.37 57.04 1urg h HIS 94 Cb 1.22 0.00 -0.01 0.00 2.57 0.00 0.00 27.41 31.19 1urg h HIS 94 CO 0.57 0.00 0.10 0.38 -3.07 0.00 0.00 177.93 175.91 1urg h ASP 95 N 0.00 0.25 0.60 3.10 2.03 -1.86 -2.66 116.42 117.88 1urg h ASP 95 Ca 0.03 -0.01 -0.06 0.00 -0.73 0.00 0.00 57.03 56.25 1urg h ASP 95 Cb 0.16 -0.06 -0.01 0.00 -0.83 0.00 0.00 39.33 38.58 1urg h ASP 95 CO -0.00 0.22 -0.30 0.78 -1.03 0.00 0.00 179.24 178.91 1urg h ASN 96 N 0.29 0.00 0.42 4.15 2.35 -1.81 -3.27 115.58 117.71 1urg h ASN 96 Ca 0.08 0.00 -0.01 0.00 -0.55 0.00 0.00 56.30 55.82 1urg h ASN 96 Cb 0.04 0.00 -0.00 0.00 0.05 0.00 0.00 38.32 38.40 1urg h ASN 96 CO -0.01 0.30 -0.04 0.78 -1.65 0.00 0.00 177.43 176.81 1urg h ASN 97 N 0.00 0.00 -0.97 5.81 2.35 -1.65 -2.88 115.58 118.24 1urg h ASN 97 Ca -0.00 0.00 0.03 0.00 -0.55 0.00 0.00 56.30 55.78 1urg h ASN 97 Cb 0.68 0.00 -0.05 0.00 0.05 0.00 0.00 38.32 39.00 1urg h ASN 97 CO 0.04 0.04 0.64 1.23 -1.65 0.00 0.00 177.43 177.72 1urg h GLY 98 N 0.88 1.41 0.74 2.83 0.00 -1.55 0.61 103.07 107.98 1urg h GLY 98 Ca -0.00 -0.49 -0.04 0.00 0.00 0.00 0.00 47.33 46.80 1urg h GLY 98 CO 0.00 0.43 -0.07 -2.08 0.00 0.00 0.00 176.54 174.83 1urg h VAL 99 N 1.25 1.32 -0.19 4.60 2.07 -1.74 -2.22 116.25 121.33 1urg h VAL 99 Ca 0.38 -1.11 0.00 0.00 0.82 0.00 0.00 66.70 66.80 1urg h VAL 99 Cb -0.03 1.75 -0.01 0.00 -1.52 0.00 0.00 31.29 31.48 1urg h VAL 99 CO -0.11 0.32 0.12 -0.26 0.02 0.00 0.00 177.57 177.66 1urg h PHE 100 N -0.04 0.23 -0.22 1.57 0.05 -1.53 -2.42 116.94 114.57 1urg h PHE 100 Ca 0.03 0.01 0.00 0.00 3.82 0.00 0.00 57.97 61.83 1urg h PHE 100 Cb 0.54 -0.08 -0.01 0.00 2.00 0.00 0.00 35.95 38.40 1urg h PHE 100 CO 0.07 0.14 0.14 0.00 -0.18 0.00 0.00 178.31 178.48 1urg h ALA 101 N 1.08 0.28 -0.55 2.45 0.00 -0.91 -1.11 119.26 120.51 1urg h ALA 101 Ca 0.07 -0.03 -0.01 0.00 0.00 0.00 0.00 54.91 54.94 1urg h ALA 101 Cb -0.02 -0.09 -0.03 0.00 0.00 0.00 0.00 17.79 17.65 1urg h ALA 101 CO -0.02 -0.22 0.29 1.49 0.00 0.00 0.00 179.25 180.78 1urg h GLU 102 N 0.28 0.75 -0.09 0.00 4.81 -1.31 -1.57 114.58 117.45 1urg h GLU 102 Ca 0.08 -0.08 0.00 0.00 -0.13 0.00 0.00 59.36 59.23 1urg h GLU 102 Cb -0.00 -0.15 0.00 0.00 0.63 0.00 0.00 28.75 29.23 1urg h GLU 102 CO -0.02 0.56 0.00 0.39 -0.73 0.00 0.00 179.01 179.22 1urg n GLU 103 N -4.39 1.34 -3.23 1.92 1.02 -0.92 -4.91 120.64 111.46 1urg n GLU 103 Ca 0.05 -0.51 -0.17 0.00 -0.02 0.00 0.00 57.16 56.51 1urg n GLU 103 Cb 0.11 -1.29 0.05 0.00 -0.02 0.00 0.00 31.44 30.29 1urg n GLU 103 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1urg n GLY 104 N 0.90 -0.10 0.81 0.62 0.00 -0.59 -4.93 105.19 101.91 1urg n GLY 104 Ca 0.13 -0.03 0.09 0.00 0.00 0.00 0.00 46.02 46.21 1urg n GLY 104 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1urg n LEU 105 N -3.60 2.75 -4.27 0.99 4.77 -0.45 -4.78 117.00 112.42 1urg n LEU 105 Ca 0.00 -1.18 -0.30 0.00 -0.03 0.00 0.00 56.01 54.50 1urg n LEU 105 Cb 0.54 -0.07 -0.16 0.00 -2.33 0.00 0.00 43.42 41.40 1urg n LEU 105 CO 0.44 0.53 -0.55 -0.04 -1.33 0.00 0.00 177.39 176.44 1urg s MET 106 N -1.47 2.07 -0.02 3.23 -1.94 -1.26 -2.20 119.30 117.71 1urg s MET 106 Ca 0.25 -0.86 -0.24 0.00 -1.71 0.00 0.00 55.69 53.13 1urg s MET 106 Cb 0.17 -1.93 -0.04 0.00 2.01 0.00 0.00 34.83 35.03 1urg s MET 106 CO 0.24 0.48 0.72 0.00 -0.01 0.00 0.00 175.02 176.45 1urg s ALA 107 N -0.45 3.35 0.65 3.03 0.00 -0.62 -4.60 121.76 123.12 1urg s ALA 107 Ca 0.06 0.19 -0.18 0.00 0.00 0.00 0.00 51.96 52.03 1urg s ALA 107 Cb -0.10 -2.97 -0.01 0.00 0.00 0.00 0.00 23.12 20.04 1urg s ALA 107 CO 0.00 -0.03 1.27 -2.14 0.00 0.00 0.00 175.76 174.86 1urg s PRO 108 N 0.45 2.53 0.04 0.00 0.02 -1.26 -4.68 135.00 132.10 1urg s PRO 108 Ca 0.38 2.00 -0.31 0.00 0.02 0.00 0.00 61.00 63.09 1urg s PRO 108 Cb -0.19 -1.85 -0.07 0.00 0.02 0.00 0.00 34.50 32.41 1urg s PRO 108 CO 0.20 -1.60 1.47 0.08 -0.33 0.00 0.00 177.00 176.82 1urg s VAL 109 N -1.50 3.43 0.69 3.83 1.01 -0.74 -4.99 120.40 122.14 1urg s VAL 109 Ca 0.81 0.89 -0.13 0.00 0.00 0.00 0.00 61.98 63.55 1urg s VAL 109 Cb -0.36 -3.57 0.01 0.00 0.00 0.00 0.00 36.38 32.47 1urg s VAL 109 CO 0.40 0.01 1.09 -2.16 0.00 0.00 0.00 175.10 174.44 1urg s PRO 110 N 2.19 2.71 0.55 2.72 0.04 -1.26 -4.95 135.00 137.00 1urg s PRO 110 Ca 0.67 1.26 -0.21 0.00 0.04 0.00 0.00 61.00 62.76 1urg s PRO 110 Cb -0.35 -1.95 -0.05 0.00 0.04 0.00 0.00 34.50 32.20 1urg s PRO 110 CO 0.29 -1.31 1.31 -1.12 0.04 0.00 0.00 177.00 176.21 1urg s SER 111 N -2.96 5.29 0.00 6.66 0.01 -1.26 -3.03 113.70 118.41 1urg s SER 111 Ca 0.64 2.65 0.00 0.00 1.31 0.00 0.00 55.95 60.55 1urg s SER 111 Cb -0.18 -2.63 0.00 0.00 0.21 0.00 0.00 66.02 63.42 1urg s SER 111 CO 0.46 -1.55 0.00 0.61 0.41 0.00 0.00 173.24 173.18 1urg n GLY 112 N 0.69 2.00 0.14 3.44 0.00 -1.26 -4.89 105.19 105.31 1urg n GLY 112 Ca 0.11 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.90 1urg n GLY 112 CO 0.00 0.00 0.00 -2.08 0.00 0.00 0.00 173.32 171.24 1urg h VAL 113 N 0.00 0.95 -3.36 1.61 2.07 -1.93 -3.45 116.25 112.14 1urg h VAL 113 Ca 0.00 -2.48 -0.65 0.00 0.82 0.00 0.00 66.70 64.39 1urg h VAL 113 Cb 0.00 2.75 -0.25 0.00 -1.52 0.00 0.00 31.29 32.27 1urg h VAL 113 CO 0.00 0.83 -0.71 -0.76 0.02 0.00 0.00 177.57 176.95 1urg s LEU 114 N -7.36 2.98 -0.52 2.57 1.43 -1.26 -5.06 118.68 111.47 1urg s LEU 114 Ca -0.17 -0.29 -0.11 0.00 -1.03 0.00 0.00 54.13 52.53 1urg s LEU 114 Cb 0.05 -1.73 0.13 0.00 0.03 0.00 0.00 46.19 44.67 1urg s LEU 114 CO 0.83 0.08 0.41 0.21 0.23 0.00 0.00 176.35 178.12 1urg s ASN 115 N 0.89 5.86 0.62 2.29 3.84 -1.26 -4.95 114.94 122.23 1urg s ASN 115 Ca -0.01 -1.98 0.29 0.00 0.21 0.00 0.00 52.86 51.37 1urg s ASN 115 Cb -0.15 -2.06 1.55 0.00 -0.55 0.00 0.00 41.25 40.04 1urg s ASN 115 CO 0.01 -0.71 1.92 0.71 -2.79 0.00 0.00 177.10 176.24 1urg h THR 116 N 5.95 0.25 0.00 -5.21 1.35 -1.97 -1.28 112.91 112.01 1urg h THR 116 Ca -0.20 0.00 0.00 0.00 -0.55 0.00 0.00 66.41 65.66 1urg h THR 116 Cb 1.07 0.66 0.00 0.00 -1.73 0.00 0.00 68.15 68.15 1urg h THR 116 CO 0.89 0.00 0.00 0.61 -0.25 0.00 0.00 175.52 176.77 1urg n GLY 117 N -1.39 -1.20 0.57 5.82 0.00 -1.26 -3.13 105.19 104.59 1urg n GLY 117 Ca 0.04 -0.07 0.11 0.00 0.00 0.00 0.00 46.02 46.10 1urg n GLY 117 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1urg n LEU 118 N -1.49 1.72 -4.30 0.99 4.77 -0.48 -4.91 117.00 113.30 1urg n LEU 118 Ca 0.05 -0.68 -0.16 0.00 -0.03 0.00 0.00 56.01 55.19 1urg n LEU 118 Cb 0.24 -0.08 -0.10 0.00 -2.33 0.00 0.00 43.42 41.14 1urg n LEU 118 CO 0.19 0.34 -0.35 -0.31 -1.33 0.00 0.00 177.39 175.93 1urg s TYR 119 N -1.83 1.45 0.53 -1.77 1.51 -1.18 -1.56 117.35 114.50 1urg s TYR 119 Ca 0.34 -0.89 -0.20 0.00 -1.01 0.00 0.00 57.07 55.31 1urg s TYR 119 Cb 0.19 -0.81 -0.06 0.00 -0.11 0.00 0.00 41.96 41.16 1urg s TYR 119 CO 0.28 -0.02 1.14 0.00 -1.11 0.00 0.00 175.55 175.84 1urg s ALA 120 N -3.41 2.74 0.28 3.71 0.00 -1.26 -4.91 121.76 118.90 1urg s ALA 120 Ca 0.25 0.85 0.02 0.00 0.00 0.00 0.00 51.96 53.08 1urg s ALA 120 Cb 0.05 -3.37 0.58 0.00 0.00 0.00 0.00 23.12 20.38 1urg s ALA 120 CO 0.06 -0.76 1.82 -1.00 0.00 0.00 0.00 175.76 175.88 1urg h PRO 121 N 1.34 0.90 0.00 0.00 0.13 -1.99 -1.66 132.00 130.72 1urg h PRO 121 Ca -0.50 -0.05 -0.04 0.00 -0.87 0.00 0.00 66.00 64.53 1urg h PRO 121 Cb 1.26 -0.20 -0.01 0.00 0.13 0.00 0.00 31.00 32.18 1urg h PRO 121 CO 0.57 0.60 -0.21 -0.91 -0.23 0.00 0.00 178.00 177.82 1urg h ASN 122 N 0.93 0.00 -0.50 1.44 -0.26 -1.99 -1.73 115.58 113.46 1urg h ASN 122 Ca 0.51 0.00 -0.06 0.00 -0.56 0.00 0.00 56.30 56.18 1urg h ASN 122 Cb 0.56 0.00 -0.02 0.00 -1.06 0.00 0.00 38.32 37.80 1urg h ASN 122 CO -0.29 0.21 0.06 0.74 -1.06 0.00 0.00 177.43 177.09 1urg h THR 123 N 0.00 1.25 -0.28 2.81 2.02 -1.67 -2.00 112.91 115.05 1urg h THR 123 Ca -0.00 -0.97 -0.12 0.00 0.77 0.00 0.00 66.41 66.08 1urg h THR 123 Cb 0.38 0.91 -0.00 0.00 -1.74 0.00 0.00 68.15 67.70 1urg h THR 123 CO 0.03 0.35 -0.31 0.40 0.37 0.00 0.00 175.52 176.36 1urg h ILE 124 N 0.72 1.30 -0.17 3.11 1.08 -1.35 -2.94 117.51 119.27 1urg h ILE 124 Ca 0.15 -1.48 -0.01 0.00 -0.39 0.00 0.00 64.86 63.13 1urg h ILE 124 Cb 0.43 1.61 -0.01 0.00 -3.07 0.00 0.00 36.82 35.78 1urg h ILE 124 CO 0.01 0.47 0.08 0.44 -0.69 0.00 0.00 178.15 178.47 1urg h ASP 125 N 0.45 0.20 0.31 1.72 3.32 -1.26 -1.69 116.42 119.47 1urg h ASP 125 Ca 0.04 -0.01 -0.04 0.00 0.02 0.00 0.00 57.03 57.04 1urg h ASP 125 Cb 0.88 -0.05 -0.01 0.00 0.22 0.00 0.00 39.33 40.37 1urg h ASP 125 CO 0.07 0.18 -0.21 0.00 -1.72 0.00 0.00 179.24 177.56 1urg h ALA 126 N 1.86 1.46 -0.02 3.45 0.00 -1.17 -2.71 119.26 122.12 1urg h ALA 126 Ca 0.06 -0.19 0.00 0.00 0.00 0.00 0.00 54.91 54.78 1urg h ALA 126 Cb 0.03 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 17.78 1urg h ALA 126 CO -0.01 0.27 -0.07 0.44 0.00 0.00 0.00 179.25 179.88 1urg n ILE 127 N -4.01 0.00 -3.41 0.00 -6.64 -0.65 -4.86 119.36 99.79 1urg n ILE 127 Ca -0.02 -0.39 -0.38 0.00 -1.77 0.00 0.00 62.75 60.19 1urg n ILE 127 Cb 0.29 1.15 -0.06 0.00 -1.44 0.00 0.00 39.64 39.58 1urg n ILE 127 CO 0.00 0.00 0.00 -0.54 -1.77 0.00 0.00 176.55 174.24 1urg s LYS 128 N -2.08 4.13 -0.13 6.28 1.02 -1.02 -2.13 119.74 125.80 1urg s LYS 128 Ca 0.29 0.43 0.00 0.00 0.02 0.00 0.00 55.97 56.72 1urg s LYS 128 Cb 0.20 -3.32 0.02 0.00 -0.52 0.00 0.00 37.83 34.21 1urg s LYS 128 CO 0.35 0.45 -0.11 0.08 -0.92 0.00 0.00 175.35 175.20 1urg s VAL 129 N -0.32 1.31 -1.41 3.17 1.01 0.48 -4.72 120.40 119.92 1urg s VAL 129 Ca 0.24 -0.47 -0.06 0.00 0.00 0.00 0.00 61.98 61.69 1urg s VAL 129 Cb -0.16 -1.27 0.03 0.00 0.00 0.00 0.00 36.38 34.98 1urg s VAL 129 CO 0.12 0.41 0.47 0.59 0.00 0.00 0.00 175.10 176.70 1urg n ASN 130 N 4.79 -4.96 0.00 3.32 3.02 -1.26 -1.52 115.26 118.65 1urg n ASN 130 Ca -0.15 -0.27 0.00 0.00 -0.03 0.00 0.00 54.58 54.13 1urg n ASN 130 Cb 0.50 -4.06 0.00 0.00 -0.61 0.00 0.00 39.78 35.61 1urg n ASN 130 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1urg n GLY 131 N -1.29 1.26 3.49 7.41 0.00 -1.26 -5.04 105.19 109.75 1urg n GLY 131 Ca -0.08 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.60 1urg n GLY 131 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1urg s THR 132 N -3.11 3.45 -0.22 2.61 2.01 -0.58 -5.05 115.64 114.75 1urg s THR 132 Ca 0.00 -0.55 -0.29 0.00 0.31 0.00 0.00 61.69 61.16 1urg s THR 132 Cb 0.00 -2.44 0.00 0.00 0.01 0.00 0.00 72.50 70.08 1urg s THR 132 CO 0.00 0.55 1.11 -0.04 -0.69 0.00 0.00 174.62 175.55 1urg s MET 133 N -0.21 4.22 0.00 4.92 -1.94 -1.26 -0.39 119.30 124.65 1urg s MET 133 Ca 0.02 1.41 0.08 0.00 -1.71 0.00 0.00 55.69 55.49 1urg s MET 133 Cb -0.13 -3.69 -0.05 0.00 2.01 0.00 0.00 34.83 32.97 1urg s MET 133 CO 0.03 -0.69 0.46 0.66 -0.01 0.00 0.00 175.02 175.47 1urg n TYR 134 N 6.49 0.00 -3.92 -0.03 4.02 -0.91 -1.78 117.16 121.03 1urg n TYR 134 Ca 0.13 0.00 -0.09 0.00 -0.01 0.00 0.00 57.90 57.92 1urg n TYR 134 Cb 0.46 0.00 -0.06 0.00 -0.02 0.00 0.00 39.34 39.72 1urg n TYR 134 CO 0.00 0.00 0.00 -1.54 -1.01 0.00 0.00 176.86 174.31 1urg s SER 135 N -1.53 -0.08 -0.18 7.72 1.04 -1.25 -4.60 113.70 114.82 1urg s SER 135 Ca 0.05 -0.80 -0.06 0.00 0.48 0.00 0.00 55.95 55.63 1urg s SER 135 Cb 0.07 0.52 -0.03 0.00 0.10 0.00 0.00 66.02 66.67 1urg s SER 135 CO 0.28 -1.02 0.02 -0.69 0.98 0.00 0.00 173.24 172.82 1urg s VAL 136 N -3.96 4.35 0.32 5.02 1.01 -0.05 -4.90 120.40 122.19 1urg s VAL 136 Ca 0.17 -0.19 -0.28 0.00 0.00 0.00 0.00 61.98 61.69 1urg s VAL 136 Cb 0.01 -2.95 -0.09 0.00 0.00 0.00 0.00 36.38 33.34 1urg s VAL 136 CO 0.02 0.46 1.08 -2.16 0.00 0.00 0.00 175.10 174.50 1urg s PRO 137 N 0.55 4.50 -0.01 2.72 0.04 -1.26 -1.28 135.00 140.26 1urg s PRO 137 Ca 0.01 1.72 0.00 0.00 0.04 0.00 0.00 61.00 62.77 1urg s PRO 137 Cb -0.13 -3.00 -0.00 0.00 0.04 0.00 0.00 34.50 31.40 1urg s PRO 137 CO 0.02 0.10 -0.01 0.28 0.04 0.00 0.00 177.00 177.44 1urg n VAL 138 N 0.82 0.03 -3.84 -0.36 0.31 0.74 -4.86 118.33 111.17 1urg n VAL 138 Ca 0.01 -0.01 -0.10 0.00 -0.01 0.00 0.00 64.34 64.23 1urg n VAL 138 Cb 0.46 -0.57 -0.06 0.00 -0.91 0.00 0.00 33.84 32.77 1urg n VAL 138 CO 0.00 0.00 0.00 -0.94 -1.32 0.00 0.00 176.83 174.57 1urg s SER 139 N -4.10 -0.06 -0.01 4.52 1.04 -1.15 -2.49 113.70 111.45 1urg s SER 139 Ca -0.01 -0.65 0.07 0.00 0.48 0.00 0.00 55.95 55.84 1urg s SER 139 Cb 0.00 0.46 -0.02 0.00 0.10 0.00 0.00 66.02 66.56 1urg s SER 139 CO 0.01 -0.90 -0.22 0.68 0.98 0.00 0.00 173.24 173.79 1urg s VAL 140 N -3.90 1.76 -0.01 5.02 -7.23 -0.65 -0.63 120.40 114.76 1urg s VAL 140 Ca 0.11 -0.99 0.04 0.00 -1.81 0.00 0.00 61.98 59.33 1urg s VAL 140 Cb 0.02 -1.47 -0.01 0.00 0.56 0.00 0.00 36.38 35.48 1urg s VAL 140 CO -0.04 0.47 -0.12 -1.10 -0.31 0.00 0.00 175.10 173.99 1urg s GLN 141 N -0.60 1.00 -0.12 4.82 -0.21 0.20 -4.23 119.66 120.51 1urg s GLN 141 Ca 0.09 -0.43 -0.04 0.00 0.02 0.00 0.00 55.36 54.99 1urg s GLN 141 Cb -0.09 -0.96 0.06 0.00 1.00 0.00 0.00 33.01 33.02 1urg s GLN 141 CO -0.01 0.26 0.19 0.08 -2.12 0.00 0.00 175.29 173.69 1urg s VAL 142 N -0.26 -0.29 0.62 1.09 1.01 -1.26 -0.35 120.40 120.96 1urg s VAL 142 Ca 0.04 0.20 -0.19 0.00 0.00 0.00 0.00 61.98 62.04 1urg s VAL 142 Cb -0.05 -0.42 -0.02 0.00 0.00 0.00 0.00 36.38 35.88 1urg s VAL 142 CO -0.00 0.04 1.22 0.00 0.00 0.00 0.00 175.10 176.35 1urg n ALA 143 N 5.33 0.96 -2.88 5.51 0.00 -1.26 -4.90 120.51 123.27 1urg n ALA 143 Ca -0.05 0.02 -0.15 0.00 0.00 0.00 0.00 53.44 53.26 1urg n ALA 143 Cb 0.50 -2.28 -0.04 0.00 0.00 0.00 0.00 19.45 17.63 1urg n ALA 143 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1urg s ALA 144 N -1.40 0.83 -0.25 0.00 0.00 -0.88 -4.84 121.76 115.22 1urg s ALA 144 Ca 0.80 -1.55 -0.14 0.00 0.00 0.00 0.00 51.96 51.07 1urg s ALA 144 Cb -0.39 1.16 -0.04 0.00 0.00 0.00 0.00 23.12 23.85 1urg s ALA 144 CO 0.43 -0.79 0.30 0.42 0.00 0.00 0.00 175.76 176.12 1urg s ILE 145 N -3.02 5.24 -0.21 0.00 1.01 0.13 -1.77 121.20 122.59 1urg s ILE 145 Ca 0.31 0.45 -0.11 0.00 0.00 0.00 0.00 60.65 61.30 1urg s ILE 145 Cb -0.00 -3.63 -0.05 0.00 0.01 0.00 0.00 42.46 38.78 1urg s ILE 145 CO 0.21 0.24 0.18 -0.31 0.00 0.00 0.00 174.94 175.26 1urg s TYR 146 N 1.60 3.38 0.13 3.97 1.51 0.13 -0.63 117.35 127.43 1urg s TYR 146 Ca 0.13 0.35 0.08 0.00 -1.01 0.00 0.00 57.07 56.62 1urg s TYR 146 Cb -0.15 -2.25 -0.04 0.00 -0.11 0.00 0.00 41.96 39.41 1urg s TYR 146 CO 0.08 0.19 -0.19 1.52 -1.11 0.00 0.00 175.55 176.04 1urg s TYR 147 N 0.67 1.75 -0.40 2.71 1.13 -0.68 -1.22 117.35 121.31 1urg s TYR 147 Ca 0.10 -0.45 -0.21 0.00 -1.41 0.00 0.00 57.07 55.10 1urg s TYR 147 Cb -0.12 -0.92 0.01 0.00 -1.10 0.00 0.00 41.96 39.83 1urg s TYR 147 CO 0.02 0.25 0.65 1.21 -2.51 0.00 0.00 175.55 175.16 1urg s ASN 148 N -2.25 6.37 0.47 -0.18 3.04 0.16 -1.02 114.94 121.53 1urg s ASN 148 Ca 0.10 -0.11 0.32 0.00 0.04 0.00 0.00 52.86 53.21 1urg s ASN 148 Cb -0.08 -2.33 1.68 0.00 -1.54 0.00 0.00 41.25 38.99 1urg s ASN 148 CO 0.05 -0.70 1.97 0.11 -3.04 0.00 0.00 177.10 175.49 1urg h LYS 149 N 8.69 0.00 -0.23 0.43 1.57 -1.24 0.32 116.57 126.11 1urg h LYS 149 Ca -0.26 0.00 -0.15 0.00 -1.87 0.00 0.00 60.65 58.37 1urg h LYS 149 Cb 1.10 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 33.40 1urg h LYS 149 CO 0.87 0.00 -0.48 -0.22 -0.57 0.00 0.00 179.45 179.05 1urg h LYS 150 N 0.00 0.61 0.00 3.15 1.63 -1.92 -3.23 116.57 116.82 1urg h LYS 150 Ca 0.00 -0.35 -0.38 0.00 -0.85 0.00 0.00 60.65 59.07 1urg h LYS 150 Cb 0.05 0.03 -0.07 0.00 -0.60 0.00 0.00 32.23 31.63 1urg h LYS 150 CO 0.00 0.96 -2.41 1.28 -3.45 0.00 0.00 179.45 175.83 1urg n LEU 151 N -4.00 1.69 -3.86 5.20 4.77 -0.51 -4.78 117.00 115.52 1urg n LEU 151 Ca -0.03 -0.06 -0.29 0.00 -0.03 0.00 0.00 56.01 55.61 1urg n LEU 151 Cb 0.57 -0.31 -0.13 0.00 -2.33 0.00 0.00 43.42 41.21 1urg n LEU 151 CO 0.47 0.74 -0.15 -0.69 -1.33 0.00 0.00 177.39 176.42 1urg s VAL 152 N -2.51 2.33 0.15 4.08 1.01 1.00 -4.98 120.40 121.48 1urg s VAL 152 Ca -0.24 -3.44 -0.17 0.00 0.00 0.00 0.00 61.98 58.13 1urg s VAL 152 Cb 0.08 -2.59 0.03 0.00 0.00 0.00 0.00 36.38 33.90 1urg s VAL 152 CO 0.71 -0.91 1.70 -0.65 0.00 0.00 0.00 175.10 175.95 1urg h PRO 153 N 6.15 0.07 -5.26 2.72 0.11 -1.80 -3.37 132.00 130.62 1urg h PRO 153 Ca 0.02 -0.00 -0.66 0.00 0.11 0.00 0.00 66.00 65.47 1urg h PRO 153 Cb 0.86 -0.02 -0.28 0.00 0.11 0.00 0.00 31.00 31.67 1urg h PRO 153 CO 0.64 0.05 -0.78 1.14 -0.21 0.00 0.00 178.00 178.83 1urg s GLN 154 N -6.19 3.31 0.34 1.05 0.00 -1.26 -4.96 119.66 111.95 1urg s GLN 154 Ca -0.13 -0.72 -0.28 0.00 -0.00 0.00 0.00 55.36 54.23 1urg s GLN 154 Cb 0.12 -2.63 -0.10 0.00 0.00 0.00 0.00 33.01 30.41 1urg s GLN 154 CO 0.70 0.13 1.22 -1.25 0.00 0.00 0.00 175.29 176.09 1urg s PRO 155 N 0.56 4.33 0.47 9.60 0.04 -1.26 -5.01 135.00 143.73 1urg s PRO 155 Ca -0.09 2.02 -0.21 0.00 0.04 0.00 0.00 61.00 62.77 1urg s PRO 155 Cb -0.16 -2.98 -0.09 0.00 0.04 0.00 0.00 34.50 31.31 1urg s PRO 155 CO 0.04 -0.14 1.03 -1.25 0.04 0.00 0.00 177.00 176.71 1urg s PRO 156 N -1.86 3.89 0.00 0.56 0.04 -1.26 -4.96 135.00 131.40 1urg s PRO 156 Ca 0.50 1.34 0.00 0.00 0.04 0.00 0.00 61.00 62.88 1urg s PRO 156 Cb -0.36 -2.14 0.00 0.00 0.04 0.00 0.00 34.50 32.05 1urg s PRO 156 CO 0.46 -0.36 0.00 1.04 0.04 0.00 0.00 177.00 178.19 1urg n GLN 157 N -0.85 1.40 -4.33 4.56 6.02 -1.26 -4.68 117.38 118.23 1urg n GLN 157 Ca 0.09 0.00 -0.24 0.00 -0.01 0.00 0.00 57.00 56.84 1urg n GLN 157 Cb 0.52 -0.93 -0.08 0.00 1.02 0.00 0.00 30.24 30.77 1urg n GLN 157 CO 0.00 0.00 0.00 0.95 -1.01 0.00 0.00 177.06 177.00 1urg s THR 158 N -1.75 3.21 0.36 5.09 -4.23 -1.26 -1.63 115.64 115.43 1urg s THR 158 Ca 0.00 -1.99 0.04 0.00 -1.18 0.00 0.00 61.69 58.56 1urg s THR 158 Cb 0.00 -2.69 0.28 0.00 1.34 0.00 0.00 72.50 71.42 1urg s THR 158 CO 0.00 -0.35 1.99 -0.25 -0.54 0.00 0.00 174.62 175.47 1urg h TRP 159 N 2.09 0.74 -0.28 3.99 2.91 -1.75 -1.59 115.95 122.06 1urg h TRP 159 Ca -0.44 0.02 -0.00 0.00 1.13 0.00 0.00 58.89 59.60 1urg h TRP 159 Cb 1.25 -0.25 -0.01 0.00 -0.51 0.00 0.00 29.16 29.63 1urg h TRP 159 CO 0.71 0.44 0.18 0.00 -1.03 0.00 0.00 178.44 178.73 1urg h ALA 160 N 1.62 0.36 -0.41 2.65 0.00 -1.95 -0.41 119.26 121.12 1urg h ALA 160 Ca 0.26 -0.04 -0.09 0.00 0.00 0.00 0.00 54.91 55.04 1urg h ALA 160 Cb 0.06 -0.11 -0.02 0.00 0.00 0.00 0.00 17.79 17.72 1urg h ALA 160 CO -0.07 -0.15 -0.12 0.93 0.00 0.00 0.00 179.25 179.84 1urg h GLU 161 N 0.37 0.73 -0.15 0.00 5.08 -1.87 -2.58 114.58 116.16 1urg h GLU 161 Ca 0.10 -0.24 -0.01 0.00 -1.00 0.00 0.00 59.36 58.22 1urg h GLU 161 Cb -0.01 -0.06 -0.01 0.00 0.50 0.00 0.00 28.75 29.17 1urg h GLU 161 CO -0.02 0.82 0.07 0.35 -1.00 0.00 0.00 179.01 179.23 1urg h PHE 162 N 0.66 0.22 -0.96 4.33 3.57 -0.84 -0.82 116.94 123.09 1urg h PHE 162 Ca 0.11 -0.01 0.04 0.00 3.53 0.00 0.00 57.97 61.64 1urg h PHE 162 Cb 0.58 -0.07 -0.06 0.00 2.79 0.00 0.00 35.95 39.19 1urg h PHE 162 CO 0.03 0.26 0.63 0.28 -2.23 0.00 0.00 178.31 177.27 1urg h VAL 163 N 0.12 1.15 0.30 1.41 2.07 -0.99 0.35 116.25 120.65 1urg h VAL 163 Ca 0.05 -0.41 -0.01 0.00 0.82 0.00 0.00 66.70 67.15 1urg h VAL 163 Cb 0.12 -0.16 0.00 0.00 -1.52 0.00 0.00 31.29 29.74 1urg h VAL 163 CO -0.01 0.22 -0.14 0.50 0.02 0.00 0.00 177.57 178.16 1urg h LYS 164 N 1.20 -0.38 -0.28 1.57 3.11 -1.07 -0.25 116.57 120.46 1urg h LYS 164 Ca 0.39 0.03 -0.09 0.00 -2.81 0.00 0.00 60.65 58.16 1urg h LYS 164 Cb 0.03 0.09 -0.01 0.00 -1.00 0.00 0.00 32.23 31.33 1urg h LYS 164 CO -0.13 -0.25 -0.22 -0.44 -2.81 0.00 0.00 179.45 175.60 1urg h ASP 165 N -0.41 0.53 -0.19 4.20 3.32 -0.68 -2.50 116.42 120.70 1urg h ASP 165 Ca -0.04 -0.17 -0.06 0.00 0.02 0.00 0.00 57.03 56.77 1urg h ASP 165 Cb 0.31 -0.14 -0.00 0.00 0.22 0.00 0.00 39.33 39.71 1urg h ASP 165 CO 0.07 0.75 -0.13 0.00 -1.72 0.00 0.00 179.24 178.21 1urg h ALA 166 N 1.29 0.27 -0.25 3.45 0.00 -0.16 -1.08 119.26 122.78 1urg h ALA 166 Ca 0.07 -0.31 -0.05 0.00 0.00 0.00 0.00 54.91 54.63 1urg h ALA 166 Cb 0.65 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 18.36 1urg h ALA 166 CO 0.05 0.13 -0.05 -0.91 0.00 0.00 0.00 179.25 178.47 1urg h ASN 167 N 0.09 0.37 0.04 0.00 2.35 -1.02 0.12 115.58 117.53 1urg h ASN 167 Ca 0.04 -0.07 -0.00 0.00 -0.55 0.00 0.00 56.30 55.72 1urg h ASN 167 Cb 0.64 -0.10 0.00 0.00 0.05 0.00 0.00 38.32 38.91 1urg h ASN 167 CO 0.03 0.47 -0.02 0.00 -1.65 0.00 0.00 177.43 176.27 1urg h ALA 168 N 1.58 -0.05 -0.03 -0.83 0.00 -1.39 -3.41 119.26 115.13 1urg h ALA 168 Ca 0.08 -0.33 0.00 0.00 0.00 0.00 0.00 54.91 54.66 1urg h ALA 168 Cb 0.33 0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.14 1urg h ALA 168 CO 0.01 -0.10 0.00 0.72 0.00 0.00 0.00 179.25 179.88 1urg n HIS 169 N -4.74 0.04 0.00 0.00 8.25 -0.42 -5.07 115.22 113.28 1urg n HIS 169 Ca -0.08 -0.17 0.00 0.00 -0.26 0.00 0.00 57.72 57.21 1urg n HIS 169 Cb 0.33 -0.02 0.00 0.00 1.12 0.00 0.00 29.99 31.42 1urg n HIS 169 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1urg n GLY 170 N 0.01 0.42 3.50 -1.41 0.00 0.42 -0.85 105.19 107.29 1urg n GLY 170 Ca 0.02 -1.62 -0.10 0.00 0.00 0.00 0.00 46.02 44.32 1urg n GLY 170 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 1urg s PHE 171 N -2.80 -0.84 0.06 1.61 5.36 -1.26 -2.60 117.98 117.52 1urg s PHE 171 Ca 0.00 1.77 -0.17 0.00 -0.96 0.00 0.00 56.93 57.57 1urg s PHE 171 Cb 0.00 0.43 0.03 0.00 -0.34 0.00 0.00 43.02 43.14 1urg s PHE 171 CO 0.00 -0.42 0.40 -1.64 -1.46 0.00 0.00 175.22 172.09 1urg s MET 172 N 1.23 0.94 0.14 10.12 -1.94 -1.18 -4.49 119.30 124.13 1urg s MET 172 Ca -0.07 -0.47 -0.24 0.00 -1.71 0.00 0.00 55.69 53.20 1urg s MET 172 Cb -0.06 0.42 0.08 0.00 2.01 0.00 0.00 34.83 37.28 1urg s MET 172 CO -0.13 -0.33 1.07 1.52 -0.01 0.00 0.00 175.02 177.14 1urg s TYR 173 N -2.82 0.01 -0.92 -0.03 -0.85 -1.26 -3.63 117.35 107.85 1urg s TYR 173 Ca -0.03 -0.33 -0.16 0.00 -0.52 0.00 0.00 57.07 56.03 1urg s TYR 173 Cb -0.00 0.66 -0.10 0.00 0.38 0.00 0.00 41.96 42.90 1urg s TYR 173 CO -0.05 -0.78 2.05 -3.47 -1.52 0.00 0.00 175.55 171.78 1urg n ASP 174 N -0.96 3.63 -0.31 -0.18 2.03 -1.26 -4.38 116.55 115.12 1urg n ASP 174 Ca -0.04 -2.58 0.25 0.00 0.52 0.00 0.00 54.79 52.94 1urg n ASP 174 Cb 0.60 -1.18 0.56 0.00 -0.72 0.00 0.00 41.12 40.38 1urg n ASP 174 CO 0.00 0.00 0.00 0.06 -1.92 0.00 0.00 177.20 175.34 1urg h GLN 175 N 7.10 0.30 -0.65 -0.67 3.07 -1.89 -1.81 115.11 120.57 1urg h GLN 175 Ca 0.48 -0.02 0.00 0.00 0.09 0.00 0.00 58.65 59.20 1urg h GLN 175 Cb 0.49 -0.07 0.00 0.00 0.08 0.00 0.00 27.48 27.98 1urg h GLN 175 CO 1.79 0.20 0.00 0.00 0.09 0.00 0.00 178.83 180.91 1urg n ALA 176 N -2.53 3.17 -2.53 0.06 0.00 -1.26 -4.64 120.51 112.78 1urg n ALA 176 Ca 0.24 -1.54 -0.41 0.00 0.00 0.00 0.00 53.44 51.74 1urg n ALA 176 Cb 0.92 -1.04 -0.10 0.00 0.00 0.00 0.00 19.45 19.23 1urg n ALA 176 CO 0.00 0.00 0.00 1.21 0.00 0.00 0.00 177.50 178.71 1urg s ASN 177 N -0.85 6.14 0.39 0.00 3.84 -0.68 -4.71 114.94 119.07 1urg s ASN 177 Ca 0.49 -0.37 0.12 0.00 0.21 0.00 0.00 52.86 53.31 1urg s ASN 177 Cb 0.32 -2.18 0.93 0.00 -0.55 0.00 0.00 41.25 39.78 1urg s ASN 177 CO 0.22 -0.34 1.89 0.25 -2.79 0.00 0.00 177.10 176.33 1urg h LEU 178 N 8.70 0.53 -1.15 3.21 6.46 -1.88 -0.43 115.31 130.74 1urg h LEU 178 Ca -0.30 0.03 0.16 0.00 -0.12 0.00 0.00 57.88 57.66 1urg h LEU 178 Cb 1.14 -0.07 -0.09 0.00 -0.73 0.00 0.00 40.66 40.92 1urg h LEU 178 CO 0.69 0.27 0.61 0.22 -0.62 0.00 0.00 178.44 179.60 1urg h TYR 179 N 0.56 0.95 0.05 1.25 3.20 -1.94 -1.05 116.97 119.99 1urg h TYR 179 Ca 0.42 0.03 -0.34 0.00 3.14 0.00 0.00 58.73 61.97 1urg h TYR 179 Cb 0.80 -0.30 -0.04 0.00 1.54 0.00 0.00 36.73 38.74 1urg h TYR 179 CO -0.00 0.30 -1.93 1.19 -1.64 0.00 0.00 178.16 176.08 1urg n PHE 180 N -4.63 0.81 1.23 -3.82 3.72 -0.30 -4.37 117.46 110.09 1urg n PHE 180 Ca 0.20 0.24 0.12 0.00 -0.05 0.00 0.00 57.45 57.96 1urg n PHE 180 Cb 0.50 -1.10 0.65 0.00 -0.94 0.00 0.00 39.48 38.59 1urg n PHE 180 CO 0.00 0.00 0.00 -0.40 -0.05 0.00 0.00 176.76 176.31 1urg n ASP 181 N -3.84 0.00 0.27 4.37 3.85 -0.42 -2.87 116.55 117.91 1urg n ASP 181 Ca -0.37 -0.14 0.13 0.00 -0.71 0.00 0.00 54.79 53.69 1urg n ASP 181 Cb 0.91 -0.26 0.77 0.00 -1.35 0.00 0.00 41.12 41.19 1urg n ASP 181 CO 0.00 0.00 0.00 0.22 -1.01 0.00 0.00 177.20 176.41 1urg h TYR 182 N 0.00 0.00 -0.95 2.11 3.20 -1.39 -1.56 116.97 118.38 1urg h TYR 182 Ca 0.00 0.00 0.15 0.00 3.14 0.00 0.00 58.73 62.02 1urg h TYR 182 Cb 0.21 0.00 -0.08 0.00 1.54 0.00 0.00 36.73 38.40 1urg h TYR 182 CO 0.00 0.08 0.60 0.00 -1.64 0.00 0.00 178.16 177.20 1urg h ALA 183 N 1.92 1.73 0.13 1.82 0.00 -1.65 0.47 119.26 123.67 1urg h ALA 183 Ca -0.00 0.03 -0.17 0.00 0.00 0.00 0.00 54.91 54.77 1urg h ALA 183 Cb 0.21 -0.14 0.02 0.00 0.00 0.00 0.00 17.79 17.88 1urg h ALA 183 CO 0.01 0.01 -0.73 0.82 0.00 0.00 0.00 179.25 179.36 1urg h ILE 184 N 0.79 1.54 -0.02 0.00 2.04 -1.54 -0.63 117.51 119.69 1urg h ILE 184 Ca 0.49 -2.51 0.02 0.00 1.00 0.00 0.00 64.86 63.86 1urg h ILE 184 Cb 0.70 3.22 -0.03 0.00 -0.74 0.00 0.00 36.82 39.97 1urg h ILE 184 CO -0.25 0.71 -0.13 0.40 0.00 0.00 0.00 178.15 178.88 1urg h ILE 185 N -0.43 0.68 -0.14 -0.67 2.04 -1.06 -1.55 117.51 116.38 1urg h ILE 185 Ca -0.13 0.00 -0.03 0.00 1.00 0.00 0.00 64.86 65.70 1urg h ILE 185 Cb 1.58 0.68 -0.01 0.00 -0.74 0.00 0.00 36.82 38.33 1urg h ILE 185 CO 0.14 0.00 -0.05 1.23 0.00 0.00 0.00 178.15 179.46 1urg h GLY 186 N -0.20 0.21 2.00 5.37 0.00 -0.23 -0.74 103.07 109.49 1urg h GLY 186 Ca 0.05 -0.11 -0.03 0.00 0.00 0.00 0.00 47.33 47.24 1urg h GLY 186 CO -0.14 0.11 -0.17 -1.33 0.00 0.00 0.00 176.54 175.01 1urg h GLY 187 N 0.54 0.00 -2.21 4.60 0.00 -1.08 -2.05 103.07 102.88 1urg h GLY 187 Ca 0.05 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.38 1urg h GLY 187 CO 0.01 0.00 0.00 -1.72 0.00 0.00 0.00 176.54 174.83 1urg n TYR 188 N -4.14 0.91 -0.31 5.60 4.02 -0.63 -4.84 117.16 117.76 1urg n TYR 188 Ca -0.02 -0.40 0.00 0.00 -0.01 0.00 0.00 57.90 57.46 1urg n TYR 188 Cb 0.24 -0.08 0.00 0.00 -0.02 0.00 0.00 39.34 39.48 1urg n TYR 188 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 1urg n GLY 189 N 1.19 0.72 3.87 2.72 0.00 -0.77 -4.36 105.19 108.57 1urg n GLY 189 Ca 0.19 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.90 1urg n GLY 189 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1urg s GLY 190 N -1.54 1.65 0.10 -0.02 0.00 -0.38 -4.84 107.32 102.29 1urg s GLY 190 Ca 0.00 -0.15 -0.22 0.00 0.00 0.00 0.00 44.72 44.35 1urg s GLY 190 CO 0.00 0.15 0.53 -2.52 0.00 0.00 0.00 173.10 171.25 1urg s TYR 191 N -3.22 -0.43 -0.03 1.90 -0.85 -1.06 -4.00 117.35 109.67 1urg s TYR 191 Ca 0.56 0.33 -0.00 0.00 -0.52 0.00 0.00 57.07 57.43 1urg s TYR 191 Cb -0.11 0.40 -0.00 0.00 0.38 0.00 0.00 41.96 42.63 1urg s TYR 191 CO 0.53 -0.72 -0.00 0.28 -1.52 0.00 0.00 175.55 174.12 1urg h VAL 192 N 2.43 0.00 -4.06 -3.49 2.07 -1.92 -1.62 116.25 109.67 1urg h VAL 192 Ca -0.32 -0.25 -0.65 0.00 0.82 0.00 0.00 66.70 66.30 1urg h VAL 192 Cb 1.25 0.00 -0.31 0.00 -1.52 0.00 0.00 31.29 30.71 1urg h VAL 192 CO 0.41 0.00 -0.87 -0.36 0.02 0.00 0.00 177.57 176.77 1urg s PHE 193 N -1.15 2.17 0.17 1.57 0.08 -1.26 -2.80 117.98 116.77 1urg s PHE 193 Ca -0.00 -0.61 -0.32 0.00 0.12 0.00 0.00 56.93 56.12 1urg s PHE 193 Cb 0.00 -1.43 -0.11 0.00 -0.57 0.00 0.00 43.02 40.91 1urg s PHE 193 CO 0.00 -0.18 1.73 0.21 -0.10 0.00 0.00 175.22 176.89 1urg s LYS 194 N -0.16 4.14 -0.30 0.44 2.47 -0.01 -4.74 119.74 121.58 1urg s LYS 194 Ca -0.02 2.56 -0.16 0.00 -1.56 0.00 0.00 55.97 56.79 1urg s LYS 194 Cb -0.12 -3.26 -0.02 0.00 -1.46 0.00 0.00 37.83 32.97 1urg s LYS 194 CO 0.03 -0.76 0.43 0.34 0.16 0.00 0.00 175.35 175.55 1urg s ASP 195 N 1.67 6.29 -0.69 1.43 2.15 -1.26 -0.94 116.67 125.31 1urg s ASP 195 Ca 0.76 0.17 0.01 0.00 0.43 0.00 0.00 52.55 53.92 1urg s ASP 195 Cb -0.47 -2.24 0.17 0.00 -0.30 0.00 0.00 42.92 40.08 1urg s ASP 195 CO 0.33 -0.30 0.50 0.20 -0.17 0.00 0.00 175.17 175.73 1urg s ASN 196 N 1.67 5.09 -1.21 -0.34 0.01 0.59 -4.79 114.94 115.95 1urg s ASN 196 Ca 0.16 -3.42 -0.04 0.00 -0.71 0.00 0.00 52.86 48.86 1urg s ASN 196 Cb -0.16 -1.75 -0.01 0.00 0.41 0.00 0.00 41.25 39.74 1urg s ASN 196 CO 0.11 -0.20 0.82 0.59 -1.51 0.00 0.00 177.10 176.91 1urg n ASN 197 N 2.64 -2.93 0.00 -1.22 3.02 -1.26 -2.43 115.26 113.09 1urg n ASN 197 Ca 0.14 -0.78 0.00 0.00 -0.03 0.00 0.00 54.58 53.91 1urg n ASN 197 Cb 0.35 -4.44 0.00 0.00 -0.61 0.00 0.00 39.78 35.09 1urg n ASN 197 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1urg n GLY 198 N -1.42 3.02 3.66 7.41 0.00 -1.26 -5.01 105.19 111.59 1urg n GLY 198 Ca -0.23 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.41 1urg n GLY 198 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1urg s THR 199 N -1.92 5.23 0.07 2.61 2.01 -1.02 -5.06 115.64 117.56 1urg s THR 199 Ca 0.00 0.58 -0.21 0.00 0.31 0.00 0.00 61.69 62.37 1urg s THR 199 Cb 0.00 -3.68 -0.07 0.00 0.01 0.00 0.00 72.50 68.77 1urg s THR 199 CO 0.00 0.26 0.63 -0.76 -0.69 0.00 0.00 174.62 174.06 1urg s LEU 200 N 1.32 4.51 -0.59 4.42 1.43 -1.26 -0.30 118.68 128.21 1urg s LEU 200 Ca 0.16 1.33 -0.09 0.00 -1.03 0.00 0.00 54.13 54.50 1urg s LEU 200 Cb -0.15 -3.01 0.15 0.00 0.03 0.00 0.00 46.19 43.22 1urg s LEU 200 CO 0.07 0.20 0.48 -0.62 0.23 0.00 0.00 176.35 176.71 1urg s ASP 201 N -0.81 5.89 0.00 2.29 -1.08 -0.12 -4.93 116.67 117.90 1urg s ASP 201 Ca 0.32 -2.30 0.04 0.00 -0.52 0.00 0.00 52.55 50.09 1urg s ASP 201 Cb -0.20 -2.04 0.23 0.00 -1.46 0.00 0.00 42.92 39.45 1urg s ASP 201 CO 0.20 -0.61 0.91 -0.81 0.52 0.00 0.00 175.17 175.38 1urg n PRO 202 N 4.40 0.08 0.00 4.34 -0.04 -1.26 -1.22 135.00 141.30 1urg n PRO 202 Ca 0.00 0.18 0.11 0.00 -0.04 0.00 0.00 63.50 63.75 1urg n PRO 202 Cb 0.41 -1.50 -0.02 0.00 -0.04 0.00 0.00 33.50 32.35 1urg n PRO 202 CO 0.00 0.00 0.00 0.09 -0.04 0.00 0.00 175.50 175.55 1urg n ASN 203 N -1.21 1.50 -4.05 3.54 3.02 -1.26 -4.65 115.26 112.15 1urg n ASN 203 Ca 0.02 -1.22 -0.34 0.00 -0.03 0.00 0.00 54.58 53.01 1urg n ASN 203 Cb 0.03 0.67 -0.10 0.00 -0.61 0.00 0.00 39.78 39.77 1urg n ASN 203 CO 0.00 0.00 0.00 0.21 -2.62 0.00 0.00 177.26 174.85 1urg s ASN 204 N -2.72 5.27 -0.12 6.41 3.84 -0.35 -5.06 114.94 122.21 1urg s ASN 204 Ca 0.14 -3.29 -0.13 0.00 0.21 0.00 0.00 52.86 49.79 1urg s ASN 204 Cb 0.17 -1.81 -0.05 0.00 -0.55 0.00 0.00 41.25 39.01 1urg s ASN 204 CO 0.70 -0.25 0.31 -0.63 -2.79 0.00 0.00 177.10 174.43 1urg s ILE 205 N -0.69 5.27 -0.34 -5.21 1.01 -1.26 -0.83 121.20 119.15 1urg s ILE 205 Ca 0.21 0.59 0.07 0.00 0.00 0.00 0.00 60.65 61.51 1urg s ILE 205 Cb -0.15 -3.63 0.48 0.00 0.01 0.00 0.00 42.46 39.17 1urg s ILE 205 CO -0.07 0.45 1.45 0.61 0.00 0.00 0.00 174.94 177.37 1urg n GLY 206 N 2.89 5.55 0.83 6.18 0.00 -0.62 -4.65 105.19 115.37 1urg n GLY 206 Ca -0.13 -1.85 0.10 0.00 0.00 0.00 0.00 46.02 44.13 1urg n GLY 206 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1urg n LEU 207 N -0.96 2.46 -0.77 0.99 4.77 -1.13 -2.55 117.00 119.80 1urg n LEU 207 Ca 0.40 -1.12 0.03 0.00 -0.03 0.00 0.00 56.01 55.30 1urg n LEU 207 Cb 0.94 -0.22 0.05 0.00 -2.33 0.00 0.00 43.42 41.86 1urg n LEU 207 CO 0.33 0.56 0.25 -0.90 -1.33 0.00 0.00 177.39 176.30 1urg n ASP 208 N 0.84 0.84 -4.88 -1.43 5.75 -1.26 -4.76 116.55 111.65 1urg n ASP 208 Ca 0.17 -2.36 -0.30 0.00 -0.01 0.00 0.00 54.79 52.28 1urg n ASP 208 Cb 0.43 -0.30 0.03 0.00 -1.03 0.00 0.00 41.12 40.25 1urg n ASP 208 CO 0.00 0.00 0.00 0.42 -0.11 0.00 0.00 177.20 177.51 1urg s THR 209 N -0.76 3.96 0.55 2.12 -4.23 -1.25 -4.84 115.64 111.18 1urg s THR 209 Ca 0.20 0.61 0.24 0.00 -1.18 0.00 0.00 61.69 61.56 1urg s THR 209 Cb 0.21 -3.63 0.35 0.00 1.34 0.00 0.00 72.50 70.77 1urg s THR 209 CO -0.06 -0.82 2.07 1.55 -0.54 0.00 0.00 174.62 176.82 1urg h PRO 210 N -0.51 0.00 -0.25 3.99 0.13 -1.96 -1.14 132.00 132.26 1urg h PRO 210 Ca -0.45 0.00 -0.09 0.00 -0.87 0.00 0.00 66.00 64.59 1urg h PRO 210 Cb 1.23 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.35 1urg h PRO 210 CO 0.63 0.00 -0.19 0.78 -0.23 0.00 0.00 178.00 178.99 1urg h GLY 211 N 0.00 0.62 0.98 1.56 0.00 -1.92 -2.66 103.07 101.65 1urg h GLY 211 Ca 0.14 -0.61 -0.02 0.00 0.00 0.00 0.00 47.33 46.84 1urg h GLY 211 CO -0.00 0.55 0.27 0.00 0.00 0.00 0.00 176.54 177.35 1urg h ALA 212 N 0.70 0.68 -0.93 3.60 0.00 -1.44 -2.17 119.26 119.70 1urg h ALA 212 Ca 0.05 -0.11 0.08 0.00 0.00 0.00 0.00 54.91 54.93 1urg h ALA 212 Cb 0.73 -0.21 -0.07 0.00 0.00 0.00 0.00 17.79 18.24 1urg h ALA 212 CO 0.05 0.23 0.60 0.28 0.00 0.00 0.00 179.25 180.41 1urg h VAL 213 N 0.71 1.01 -0.35 0.00 2.07 -1.32 0.61 116.25 118.98 1urg h VAL 213 Ca 0.18 -0.34 -0.08 0.00 0.82 0.00 0.00 66.70 67.28 1urg h VAL 213 Cb 0.10 -0.07 -0.02 0.00 -1.52 0.00 0.00 31.29 29.78 1urg h VAL 213 CO -0.03 0.18 -0.12 1.56 0.02 0.00 0.00 177.57 179.19 1urg h GLN 214 N 0.99 0.62 -0.35 1.57 1.08 -1.07 -1.81 115.11 116.14 1urg h GLN 214 Ca 0.42 -0.19 -0.06 0.00 -1.45 0.00 0.00 58.65 57.36 1urg h GLN 214 Cb 0.31 -0.06 -0.01 0.00 -0.05 0.00 0.00 27.48 27.67 1urg h GLN 214 CO -0.18 0.72 -0.03 0.00 -0.95 0.00 0.00 178.83 178.39 1urg h ALA 215 N 1.31 0.48 -0.18 3.87 0.00 -0.36 -2.37 119.26 122.00 1urg h ALA 215 Ca 0.10 -0.27 -0.03 0.00 0.00 0.00 0.00 54.91 54.71 1urg h ALA 215 Cb 0.54 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 18.19 1urg h ALA 215 CO 0.03 0.27 -0.02 1.88 0.00 0.00 0.00 179.25 181.41 1urg h TYR 216 N 0.44 0.27 -0.36 0.00 0.99 -0.78 -0.95 116.97 116.58 1urg h TYR 216 Ca 0.09 -0.02 -0.08 0.00 2.00 0.00 0.00 58.73 60.73 1urg h TYR 216 Cb 0.51 -0.08 -0.01 0.00 1.00 0.00 0.00 36.73 38.15 1urg h TYR 216 CO 0.04 0.30 -0.11 1.15 -0.00 0.00 0.00 178.16 179.55 1urg h THR 217 N 0.26 1.28 -0.50 -2.88 2.02 -1.07 -0.60 112.91 111.43 1urg h THR 217 Ca 0.06 -1.19 -0.07 0.00 0.77 0.00 0.00 66.41 65.99 1urg h THR 217 Cb 0.22 1.31 -0.02 0.00 -1.74 0.00 0.00 68.15 67.92 1urg h THR 217 CO 0.01 0.39 0.04 0.25 0.37 0.00 0.00 175.52 176.58 1urg h LEU 218 N 0.49 0.76 -0.89 2.58 5.85 -0.89 0.55 115.31 123.77 1urg h LEU 218 Ca 0.09 -0.17 -0.04 0.00 0.84 0.00 0.00 57.88 58.60 1urg h LEU 218 Cb 0.62 -0.20 -0.03 0.00 0.37 0.00 0.00 40.66 41.42 1urg h LEU 218 CO 0.04 0.81 0.29 0.24 -0.34 0.00 0.00 178.44 179.48 1urg h MET 219 N 0.76 1.11 -0.25 1.25 2.86 -0.90 -1.99 114.93 117.76 1urg h MET 219 Ca 0.15 -0.20 -0.03 0.00 -2.06 0.00 0.00 59.70 57.57 1urg h MET 219 Cb 0.40 -0.18 -0.01 0.00 0.06 0.00 0.00 31.60 31.87 1urg h MET 219 CO 0.01 0.90 0.04 -0.09 1.06 0.00 0.00 176.91 178.83 1urg h ARG 220 N 1.08 0.42 -0.49 1.72 9.65 -0.32 -3.09 114.38 123.35 1urg h ARG 220 Ca 0.25 -0.11 0.06 0.00 -1.10 0.00 0.00 59.98 59.08 1urg h ARG 220 Cb 0.21 -0.05 -0.03 0.00 -1.39 0.00 0.00 29.97 28.71 1urg h ARG 220 CO -0.02 0.55 0.33 -0.44 2.80 0.00 0.00 179.97 183.19 1urg h ASP 221 N 0.23 0.37 0.02 -3.80 3.45 -0.48 -0.95 116.42 115.26 1urg h ASP 221 Ca 0.08 0.00 0.00 0.00 0.43 0.00 0.00 57.03 57.54 1urg h ASP 221 Cb 0.34 -0.08 0.00 0.00 -0.56 0.00 0.00 39.33 39.03 1urg h ASP 221 CO 0.01 0.24 0.00 0.24 -1.57 0.00 0.00 179.24 178.16 1urg h MET 222 N 0.42 0.00 0.00 3.56 2.86 -1.28 -0.07 114.93 120.42 1urg h MET 222 Ca 0.21 0.00 -0.15 0.00 -2.06 0.00 0.00 59.70 57.70 1urg h MET 222 Cb 0.31 0.00 -0.02 0.00 0.06 0.00 0.00 31.60 31.95 1urg h MET 222 CO -0.05 0.00 -1.31 0.28 1.06 0.00 0.00 176.91 176.88 1urg n VAL 223 N -2.41 1.07 0.14 -2.22 0.31 -0.46 -1.33 118.33 113.43 1urg n VAL 223 Ca -0.02 -0.02 -0.01 0.00 -0.01 0.00 0.00 64.34 64.29 1urg n VAL 223 Cb 0.05 -1.83 0.20 0.00 -0.91 0.00 0.00 33.84 31.34 1urg n VAL 223 CO 0.00 0.00 0.00 0.77 -1.32 0.00 0.00 176.83 176.28 1urg h SER 224 N -0.55 0.00 0.00 4.52 4.64 -1.24 -3.01 113.55 117.91 1urg h SER 224 Ca -0.23 -0.00 -0.04 0.00 -0.47 0.00 0.00 61.79 61.05 1urg h SER 224 Cb 1.01 -0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 63.09 1urg h SER 224 CO -0.14 0.58 -1.16 2.29 -0.87 0.00 0.00 176.83 177.53 1urg n LYS 225 N -3.85 0.62 0.08 4.77 2.85 -0.43 -4.71 118.16 117.49 1urg n LYS 225 Ca -0.01 0.01 -0.03 0.00 -1.05 0.00 0.00 58.31 57.23 1urg n LYS 225 Cb 0.58 -1.06 -0.06 0.00 -0.65 0.00 0.00 35.03 33.84 1urg n LYS 225 CO 0.00 0.00 0.00 1.88 -0.05 0.00 0.00 177.40 179.23 1urg h TYR 226 N 0.00 0.00 -3.90 5.58 0.99 -1.28 -3.48 116.97 114.88 1urg h TYR 226 Ca -0.06 0.00 -0.38 0.00 2.00 0.00 0.00 58.73 60.28 1urg h TYR 226 Cb 1.11 0.00 0.00 0.00 1.00 0.00 0.00 36.73 38.84 1urg h TYR 226 CO 0.00 0.78 -0.53 0.72 -0.00 0.00 0.00 178.16 179.13 1urg n HIS 227 N -3.24 -1.50 0.09 4.88 8.25 -1.14 -4.86 115.22 117.70 1urg n HIS 227 Ca -0.02 0.23 -0.07 0.00 -0.26 0.00 0.00 57.72 57.61 1urg n HIS 227 Cb 0.86 -3.89 0.05 0.00 1.12 0.00 0.00 29.99 28.14 1urg n HIS 227 CO 0.00 0.00 0.00 -1.49 0.64 0.00 0.00 176.34 175.49 1urg h TRP 228 N -0.60 0.27 -4.12 4.41 6.55 -1.45 -3.46 115.95 117.55 1urg h TRP 228 Ca -0.47 -0.13 -0.28 0.00 0.95 0.00 0.00 58.89 58.95 1urg h TRP 228 Cb 1.34 -0.04 -0.15 0.00 -0.86 0.00 0.00 29.16 29.45 1urg h TRP 228 CO 0.58 0.88 -0.63 -1.64 -1.05 0.00 0.00 178.44 176.58 1urg s MET 229 N -3.44 1.24 0.31 0.49 -1.94 -1.16 -4.63 119.30 110.17 1urg s MET 229 Ca -0.03 -1.65 0.09 0.00 -1.71 0.00 0.00 55.69 52.39 1urg s MET 229 Cb 0.11 -0.03 -0.04 0.00 2.01 0.00 0.00 34.83 36.88 1urg s MET 229 CO 0.81 -0.30 0.09 0.95 -0.01 0.00 0.00 175.02 176.56 1urg s THR 230 N -3.91 3.23 -0.07 2.05 -4.23 -1.26 -4.39 115.64 107.05 1urg s THR 230 Ca 0.35 -1.76 0.21 0.00 -1.18 0.00 0.00 61.69 59.30 1urg s THR 230 Cb 0.07 -2.95 0.21 0.00 1.34 0.00 0.00 72.50 71.17 1urg s THR 230 CO 0.10 -0.26 1.62 -0.65 -0.54 0.00 0.00 174.62 174.90 1urg h PRO 231 N 1.67 0.00 0.00 3.99 0.11 -1.95 -1.39 132.00 134.44 1urg h PRO 231 Ca -0.44 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.67 1urg h PRO 231 Cb 1.25 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.36 1urg h PRO 231 CO 0.62 0.00 -0.85 1.03 -0.21 0.00 0.00 178.00 178.59 1urg h SER 232 N 0.00 0.00 -3.13 -2.05 0.87 -1.98 -3.47 113.55 103.79 1urg h SER 232 Ca 0.00 -0.04 -0.53 0.00 -1.23 0.00 0.00 61.79 59.99 1urg h SER 232 Cb 0.17 0.00 0.07 0.00 -0.44 0.00 0.00 62.40 62.20 1urg h SER 232 CO 0.00 0.02 0.90 -0.89 -0.53 0.00 0.00 176.83 176.33 1urg s THR 233 N -3.31 2.21 0.13 2.23 2.01 -0.52 -5.00 115.64 113.37 1urg s THR 233 Ca 0.01 0.16 0.02 0.00 0.31 0.00 0.00 61.69 62.20 1urg s THR 233 Cb 0.10 -3.11 -0.01 0.00 0.01 0.00 0.00 72.50 69.49 1urg s THR 233 CO 0.77 0.02 0.09 -0.46 -0.69 0.00 0.00 174.62 174.35 1urg n ASN 234 N 2.81 0.14 -0.37 3.53 0.23 -1.26 -4.58 115.26 115.76 1urg n ASN 234 Ca 0.10 -1.79 0.01 0.00 -0.53 0.00 0.00 54.58 52.37 1urg n ASN 234 Cb 0.37 0.54 0.15 0.00 -2.08 0.00 0.00 39.78 38.76 1urg n ASN 234 CO 0.00 0.00 0.00 1.23 -0.93 0.00 0.00 177.26 177.56 1urg h GLY 235 N 0.69 1.47 0.98 4.83 0.00 -1.88 -1.80 103.07 107.36 1urg h GLY 235 Ca -0.09 -0.50 -0.00 0.00 0.00 0.00 0.00 47.33 46.74 1urg h GLY 235 CO 0.14 0.42 0.19 1.76 0.00 0.00 0.00 176.54 179.05 1urg h SER 236 N 1.26 0.36 -0.21 0.19 0.02 -1.97 -0.87 113.55 112.33 1urg h SER 236 Ca 0.40 -0.04 -0.05 0.00 -0.84 0.00 0.00 61.79 61.26 1urg h SER 236 Cb 0.02 -0.09 -0.01 0.00 0.14 0.00 0.00 62.40 62.46 1urg h SER 236 CO -0.13 0.29 -0.06 0.40 -1.14 0.00 0.00 176.83 176.19 1urg h ILE 237 N 0.39 1.29 -0.45 3.27 2.04 -1.92 -1.97 117.51 120.16 1urg h ILE 237 Ca 0.11 -1.06 0.05 0.00 1.00 0.00 0.00 64.86 64.96 1urg h ILE 237 Cb -0.00 1.55 -0.05 0.00 -0.74 0.00 0.00 36.82 37.58 1urg h ILE 237 CO -0.02 0.32 0.19 0.00 0.00 0.00 0.00 178.15 178.64 1urg h ALA 238 N 0.74 0.55 -0.34 1.87 0.00 -1.21 0.00 119.26 120.87 1urg h ALA 238 Ca 0.05 0.04 -0.01 0.00 0.00 0.00 0.00 54.91 54.99 1urg h ALA 238 Cb 0.52 -0.01 -0.02 0.00 0.00 0.00 0.00 17.79 18.28 1urg h ALA 238 CO 0.02 -0.19 0.16 -0.22 0.00 0.00 0.00 179.25 179.02 1urg h LYS 239 N 0.38 0.50 -0.55 0.00 3.64 -1.12 -1.29 116.57 118.13 1urg h LYS 239 Ca 0.20 -0.08 0.00 0.00 -1.27 0.00 0.00 60.65 59.51 1urg h LYS 239 Cb 0.16 -0.09 -0.03 0.00 -0.41 0.00 0.00 32.23 31.87 1urg h LYS 239 CO -0.18 0.46 0.35 0.00 -2.27 0.00 0.00 179.45 177.81 1urg h ALA 240 N 1.01 0.70 -0.49 5.00 0.00 -1.00 -0.16 119.26 124.31 1urg h ALA 240 Ca 0.12 -0.05 -0.02 0.00 0.00 0.00 0.00 54.91 54.95 1urg h ALA 240 Cb 0.14 -0.22 -0.02 0.00 0.00 0.00 0.00 17.79 17.68 1urg h ALA 240 CO -0.01 0.16 0.23 0.93 0.00 0.00 0.00 179.25 180.56 1urg h GLU 241 N 0.74 0.71 -0.40 0.00 4.39 -0.84 -1.96 114.58 117.23 1urg h GLU 241 Ca 0.20 -0.11 -0.02 0.00 0.34 0.00 0.00 59.36 59.78 1urg h GLU 241 Cb -0.05 -0.13 -0.02 0.00 -0.10 0.00 0.00 28.75 28.45 1urg h GLU 241 CO -0.04 0.60 0.19 0.35 -1.16 0.00 0.00 179.01 178.95 1urg h PHE 242 N 0.65 0.58 0.00 4.33 3.04 -0.91 -1.82 116.94 122.82 1urg h PHE 242 Ca 0.17 -0.03 -0.01 0.00 3.98 0.00 0.00 57.97 62.08 1urg h PHE 242 Cb 0.13 -0.18 -0.00 0.00 2.56 0.00 0.00 35.95 38.46 1urg h PHE 242 CO -0.01 0.49 -0.04 -0.07 -2.02 0.00 0.00 178.31 176.67 1urg h LEU 243 N 0.51 0.00 -1.08 0.59 3.38 -0.82 -0.74 115.31 117.15 1urg h LEU 243 Ca 0.14 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.11 1urg h LEU 243 Cb 0.13 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.88 1urg h LEU 243 CO -0.02 0.04 0.00 0.00 0.09 0.00 0.00 178.44 178.56 1urg n ALA 244 N -2.17 2.56 -1.87 1.53 0.00 -0.76 -4.93 120.51 114.88 1urg n ALA 244 Ca -0.02 -0.47 -0.10 0.00 0.00 0.00 0.00 53.44 52.85 1urg n ALA 244 Cb 0.18 -1.12 -0.02 0.00 0.00 0.00 0.00 19.45 18.49 1urg n ALA 244 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1urg n GLY 245 N 1.20 0.38 0.08 0.00 0.00 -0.29 -4.93 105.19 101.63 1urg n GLY 245 Ca 0.18 -0.51 0.04 0.00 0.00 0.00 0.00 46.02 45.73 1urg n GLY 245 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1urg n LYS 246 N -2.22 0.64 -4.48 1.61 5.02 -0.73 -4.92 118.16 113.08 1urg n LYS 246 Ca -0.11 0.08 -0.26 0.00 -2.02 0.00 0.00 58.31 55.99 1urg n LYS 246 Cb 0.50 -1.71 -0.13 0.00 -0.02 0.00 0.00 35.03 33.66 1urg n LYS 246 CO 0.00 0.00 0.00 0.96 -0.52 0.00 0.00 177.40 177.84 1urg s ILE 247 N -3.10 1.86 -0.13 -0.18 -4.36 -1.24 -4.76 121.20 109.29 1urg s ILE 247 Ca -0.04 -1.47 0.16 0.00 -0.26 0.00 0.00 60.65 59.03 1urg s ILE 247 Cb 0.10 -1.65 -0.06 0.00 1.25 0.00 0.00 42.46 42.10 1urg s ILE 247 CO 0.83 0.10 1.10 1.23 0.24 0.00 0.00 174.94 178.44 1urg h GLY 248 N 4.35 0.00 -4.45 6.27 0.00 -0.90 -3.44 103.07 104.91 1urg h GLY 248 Ca -0.46 0.00 -0.37 0.00 0.00 0.00 0.00 47.33 46.49 1urg h GLY 248 CO 0.41 0.00 -0.76 1.06 0.00 0.00 0.00 176.54 177.25 1urg s MET 249 N -2.94 0.76 -0.20 4.80 -1.94 -1.07 -0.67 119.30 118.05 1urg s MET 249 Ca 0.00 -0.94 -0.23 0.00 -1.71 0.00 0.00 55.69 52.82 1urg s MET 249 Cb 0.08 -0.69 0.06 0.00 2.01 0.00 0.00 34.83 36.30 1urg s MET 249 CO 0.78 0.15 0.62 -0.47 -0.01 0.00 0.00 175.02 176.09 1urg s TYR 250 N -1.42 -0.66 -0.25 -0.03 5.04 -0.36 -3.09 117.35 116.58 1urg s TYR 250 Ca -0.03 1.53 -0.14 0.00 -2.44 0.00 0.00 57.07 55.99 1urg s TYR 250 Cb -0.09 0.25 -0.04 0.00 0.35 0.00 0.00 41.96 42.43 1urg s TYR 250 CO 0.02 -0.37 0.32 0.08 -1.34 0.00 0.00 175.55 174.25 1urg s VAL 251 N 0.03 5.23 0.00 3.14 1.01 -1.24 0.17 120.40 128.74 1urg s VAL 251 Ca -0.02 0.48 0.00 0.00 0.00 0.00 0.00 61.98 62.44 1urg s VAL 251 Cb -0.04 -3.65 0.00 0.00 0.00 0.00 0.00 36.38 32.69 1urg s VAL 251 CO 0.02 0.22 0.00 -0.24 0.00 0.00 0.00 175.10 175.11 1urg n SER 252 N 4.92 0.00 -3.42 3.32 2.88 -0.73 -4.72 113.62 115.87 1urg n SER 252 Ca -0.10 -0.21 -0.16 0.00 -1.33 0.00 0.00 58.87 57.07 1urg n SER 252 Cb 0.51 0.00 -0.06 0.00 -0.75 0.00 0.00 64.21 63.91 1urg n SER 252 CO 0.00 0.00 0.00 -0.83 -1.23 0.00 0.00 175.04 172.98 1urg s GLY 253 N -0.21 1.74 0.54 0.46 0.00 -1.26 -2.07 107.32 106.52 1urg s GLY 253 Ca 0.00 -1.71 0.22 0.00 0.00 0.00 0.00 44.72 43.23 1urg s GLY 253 CO 0.00 -1.19 1.63 -2.55 0.00 0.00 0.00 173.10 170.99 1urg h PRO 254 N 2.18 0.00 0.00 2.90 0.11 -1.90 -0.80 132.00 134.49 1urg h PRO 254 Ca -0.28 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.83 1urg h PRO 254 Cb 1.24 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.35 1urg h PRO 254 CO 0.39 0.00 0.00 0.11 -0.21 0.00 0.00 178.00 178.29 1urg h TRP 255 N 0.00 0.00 -0.01 0.65 0.09 -1.96 -2.37 115.95 112.36 1urg h TRP 255 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 58.89 58.98 1urg h TRP 255 Cb 0.73 0.00 0.00 0.00 0.08 0.00 0.00 29.16 29.97 1urg h TRP 255 CO 0.00 0.00 -0.72 -0.25 0.09 0.00 0.00 178.44 177.56 1urg n ASP 256 N -2.82 1.33 -0.19 0.11 8.00 -0.30 -4.64 116.55 118.05 1urg n ASP 256 Ca -0.01 -1.17 -0.03 0.00 0.71 0.00 0.00 54.79 54.30 1urg n ASP 256 Cb 0.16 0.78 0.04 0.00 -0.02 0.00 0.00 41.12 42.08 1urg n ASP 256 CO 0.00 0.00 0.00 0.74 -0.39 0.00 0.00 177.20 177.55 1urg h THR 257 N 0.93 0.31 -0.15 -3.53 2.02 -1.55 -1.17 112.91 109.78 1urg h THR 257 Ca 0.00 0.00 0.01 0.00 0.77 0.00 0.00 66.41 67.19 1urg h THR 257 Cb 0.56 0.31 -0.01 0.00 -1.74 0.00 0.00 68.15 67.27 1urg h THR 257 CO 0.00 0.00 0.08 0.00 0.37 0.00 0.00 175.52 175.97 1urg h ALA 258 N 1.34 0.18 -0.42 6.16 0.00 -1.82 -1.70 119.26 123.00 1urg h ALA 258 Ca 0.26 0.00 -0.02 0.00 0.00 0.00 0.00 54.91 55.16 1urg h ALA 258 Cb 0.49 -0.03 -0.02 0.00 0.00 0.00 0.00 17.79 18.23 1urg h ALA 258 CO -0.62 -0.36 0.19 -0.44 0.00 0.00 0.00 179.25 178.02 1urg h ASP 259 N 0.17 0.52 -0.34 0.00 3.32 -1.73 -1.03 116.42 117.32 1urg h ASP 259 Ca 0.06 -0.04 -0.08 0.00 0.02 0.00 0.00 57.03 56.98 1urg h ASP 259 Cb 0.01 -0.13 -0.01 0.00 0.22 0.00 0.00 39.33 39.41 1urg h ASP 259 CO -0.04 0.46 -0.12 0.40 -1.72 0.00 0.00 179.24 178.22 1urg h ILE 260 N 0.59 1.28 -0.08 0.35 2.04 -0.82 -2.47 117.51 118.40 1urg h ILE 260 Ca 0.15 -1.20 -0.10 0.00 1.00 0.00 0.00 64.86 64.70 1urg h ILE 260 Cb 0.08 1.34 -0.01 0.00 -0.74 0.00 0.00 36.82 37.49 1urg h ILE 260 CO -0.02 0.39 -0.42 -0.33 0.00 0.00 0.00 178.15 177.77 1urg h GLU 261 N 0.47 0.17 0.00 2.37 5.08 -0.94 -2.44 114.58 119.29 1urg h GLU 261 Ca 0.08 -0.08 -0.08 0.00 -1.00 0.00 0.00 59.36 58.28 1urg h GLU 261 Cb 0.63 -0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.87 1urg h GLU 261 CO 0.04 0.57 -0.38 -0.22 -1.00 0.00 0.00 179.01 178.02 1urg h LYS 262 N 0.15 0.00 -0.11 2.33 3.64 -1.09 -0.43 116.57 121.05 1urg h LYS 262 Ca 0.01 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.39 1urg h LYS 262 Cb 0.81 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.63 1urg h LYS 262 CO 0.06 0.38 0.00 0.00 -2.27 0.00 0.00 179.45 177.62 1urg n ALA 263 N -2.36 2.55 -4.23 5.00 0.00 -0.94 -4.91 120.51 115.62 1urg n ALA 263 Ca -0.01 -0.36 -0.36 0.00 0.00 0.00 0.00 53.44 52.70 1urg n ALA 263 Cb 0.46 -1.15 -0.03 0.00 0.00 0.00 0.00 19.45 18.73 1urg n ALA 263 CO 0.00 0.00 0.00 0.36 0.00 0.00 0.00 177.50 177.86 1urg n LYS 264 N -0.09 -3.16 -2.95 0.00 2.85 -0.17 -4.94 118.16 109.70 1urg n LYS 264 Ca 0.14 0.37 -0.40 0.00 -1.05 0.00 0.00 58.31 57.37 1urg n LYS 264 Cb 0.22 -5.10 -0.05 0.00 -0.65 0.00 0.00 35.03 29.45 1urg n LYS 264 CO 0.00 0.00 0.00 0.42 -0.05 0.00 0.00 177.40 177.77 1urg s ILE 265 N -3.29 4.85 -1.02 0.58 -1.09 -1.08 -4.97 121.20 115.18 1urg s ILE 265 Ca 0.74 1.66 -0.20 0.00 -2.23 0.00 0.00 60.65 60.62 1urg s ILE 265 Cb -0.41 -4.13 0.09 0.00 -1.58 0.00 0.00 42.46 36.43 1urg s ILE 265 CO 0.93 0.29 1.35 -0.62 -1.23 0.00 0.00 174.94 175.66 1urg s ASP 266 N 0.39 6.62 0.35 3.58 2.15 -1.26 -4.75 116.67 123.76 1urg s ASP 266 Ca 0.41 -1.89 0.04 0.00 0.43 0.00 0.00 52.55 51.54 1urg s ASP 266 Cb -0.20 -2.49 -0.01 0.00 -0.30 0.00 0.00 42.92 39.92 1urg s ASP 266 CO 0.22 -1.25 0.51 0.72 -0.17 0.00 0.00 175.17 175.21 1urg s PHE 267 N 3.75 3.21 0.21 -5.34 -0.12 -1.26 -1.02 117.98 117.41 1urg s PHE 267 Ca 0.41 -0.05 0.02 0.00 -0.05 0.00 0.00 56.93 57.26 1urg s PHE 267 Cb -0.02 -2.02 -0.05 0.00 -0.63 0.00 0.00 43.02 40.31 1urg s PHE 267 CO -0.07 -0.04 0.03 0.20 -0.05 0.00 0.00 175.22 175.29 1urg s GLY 268 N -4.15 1.42 -0.05 1.99 0.00 -0.19 -4.86 107.32 101.47 1urg s GLY 268 Ca 0.44 -1.70 0.03 0.00 0.00 0.00 0.00 44.72 43.49 1urg s GLY 268 CO 0.33 -1.56 -0.12 0.14 0.00 0.00 0.00 173.10 171.88 1urg s VAL 269 N -3.67 1.12 0.01 1.40 1.01 -1.26 -1.69 120.40 117.32 1urg s VAL 269 Ca 0.29 -0.50 -0.08 0.00 0.00 0.00 0.00 61.98 61.69 1urg s VAL 269 Cb 0.07 -1.01 0.00 0.00 0.00 0.00 0.00 36.38 35.44 1urg s VAL 269 CO 0.08 0.35 0.15 0.28 0.00 0.00 0.00 175.10 175.95 1urg s THR 270 N 0.48 0.09 1.01 3.92 -1.32 0.20 -4.69 115.64 115.33 1urg s THR 270 Ca -0.11 -0.74 -0.12 0.00 -1.21 0.00 0.00 61.69 59.51 1urg s THR 270 Cb -0.14 -0.54 0.20 0.00 -1.51 0.00 0.00 72.50 70.51 1urg s THR 270 CO 0.03 -0.41 1.09 -2.16 -2.21 0.00 0.00 174.62 170.96 1urg s PRO 271 N -1.63 0.32 0.59 7.08 0.04 -1.26 0.18 135.00 140.33 1urg s PRO 271 Ca -0.13 0.54 -0.20 0.00 0.04 0.00 0.00 61.00 61.26 1urg s PRO 271 Cb -0.06 -1.72 -0.03 0.00 0.04 0.00 0.00 34.50 32.72 1urg s PRO 271 CO 0.01 -2.81 1.31 -1.58 0.04 0.00 0.00 177.00 173.97 1urg s TRP 272 N -2.93 2.22 0.81 0.56 0.52 -1.26 -4.57 118.94 114.29 1urg s TRP 272 Ca 0.66 1.44 -0.12 0.00 0.02 0.00 0.00 56.10 58.10 1urg s TRP 272 Cb -0.19 -3.71 0.08 0.00 -1.15 0.00 0.00 33.47 28.50 1urg s TRP 272 CO 0.58 -2.81 1.17 -2.14 0.02 0.00 0.00 176.95 173.77 1urg s PRO 273 N -3.16 1.96 0.62 4.98 0.02 -1.26 -4.78 135.00 133.38 1urg s PRO 273 Ca 0.77 0.17 -0.17 0.00 0.02 0.00 0.00 61.00 61.79 1urg s PRO 273 Cb -0.38 -1.94 -0.02 0.00 0.02 0.00 0.00 34.50 32.18 1urg s PRO 273 CO 0.42 -1.61 1.12 0.95 -0.33 0.00 0.00 177.00 177.55 1urg s THR 274 N -3.52 3.19 0.75 0.99 -4.23 -0.64 -4.24 115.64 107.94 1urg s THR 274 Ca 0.62 0.62 -0.09 0.00 -1.18 0.00 0.00 61.69 61.66 1urg s THR 274 Cb -0.11 -3.16 0.06 0.00 1.34 0.00 0.00 72.50 70.63 1urg s THR 274 CO 0.50 -0.28 1.09 -0.76 -0.54 0.00 0.00 174.62 174.63 1urg s LEU 275 N -4.47 2.70 0.13 4.79 1.43 0.11 -2.48 118.68 120.89 1urg s LEU 275 Ca 0.69 0.66 0.08 0.00 -1.03 0.00 0.00 54.13 54.53 1urg s LEU 275 Cb -0.22 -3.25 0.46 0.00 0.03 0.00 0.00 46.19 43.20 1urg s LEU 275 CO 0.36 -1.70 1.24 -0.81 0.23 0.00 0.00 176.35 175.67 1urg n PRO 276 N -3.09 0.05 -0.20 1.29 -0.04 -1.26 -0.13 135.00 131.62 1urg n PRO 276 Ca 0.08 0.54 0.09 0.00 -0.04 0.00 0.00 63.50 64.16 1urg n PRO 276 Cb 0.60 -1.71 0.25 0.00 -0.04 0.00 0.00 33.50 32.60 1urg n PRO 276 CO 0.00 0.00 0.00 0.27 -0.04 0.00 0.00 175.50 175.73 1urg n ASN 277 N -1.79 2.42 0.00 3.54 2.04 -1.26 -4.90 115.26 115.31 1urg n ASN 277 Ca -0.01 -1.93 0.00 0.00 -0.44 0.00 0.00 54.58 52.20 1urg n ASN 277 Cb 0.04 -0.26 0.00 0.00 -2.53 0.00 0.00 39.78 37.03 1urg n ASN 277 CO 0.00 0.00 0.00 0.61 -0.44 0.00 0.00 177.26 177.43 1urg n GLY 278 N 1.25 0.74 3.93 4.83 0.00 0.81 -5.02 105.19 111.73 1urg n GLY 278 Ca 0.16 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.93 1urg n GLY 278 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1urg s LYS 279 N -0.16 3.51 0.31 1.61 3.01 -1.25 -4.78 119.74 121.99 1urg s LYS 279 Ca 0.00 -0.31 -0.25 0.00 -1.01 0.00 0.00 55.97 54.41 1urg s LYS 279 Cb 0.00 -2.70 -0.10 0.00 -1.01 0.00 0.00 37.83 34.02 1urg s LYS 279 CO 0.00 0.22 0.91 -1.01 0.51 0.00 0.00 175.35 175.98 1urg s HIS 280 N -2.18 3.67 0.63 3.18 3.76 -1.26 0.07 115.29 123.16 1urg s HIS 280 Ca 0.40 1.72 -0.15 0.00 -0.15 0.00 0.00 55.06 56.88 1urg s HIS 280 Cb -0.10 -2.88 -0.02 0.00 1.11 0.00 0.00 32.58 30.70 1urg s HIS 280 CO 0.33 0.22 1.08 0.00 -0.85 0.00 0.00 174.74 175.53 1urg s ALA 281 N -1.63 2.60 -0.66 -1.40 0.00 -1.26 -4.48 121.76 114.93 1urg s ALA 281 Ca 0.50 0.46 0.05 0.00 0.00 0.00 0.00 51.96 52.97 1urg s ALA 281 Cb -0.18 -3.27 0.19 0.00 0.00 0.00 0.00 23.12 19.86 1urg s ALA 281 CO 0.23 -1.06 0.54 0.25 0.00 0.00 0.00 175.76 175.72 1urg n THR 282 N -2.26 1.53 -0.92 0.00 -2.24 -0.26 -4.85 114.28 105.28 1urg n THR 282 Ca 0.10 -4.82 -0.30 0.00 -2.27 0.00 0.00 64.05 56.75 1urg n THR 282 Cb 0.52 -2.12 0.16 0.00 -2.10 0.00 0.00 70.33 66.79 1urg n THR 282 CO 0.00 0.00 0.00 -2.16 -0.57 0.00 0.00 175.07 172.34 1urg s PRO 283 N -1.58 1.06 0.53 -0.78 0.04 -1.26 -3.94 135.00 129.07 1urg s PRO 283 Ca 0.29 1.19 -0.17 0.00 0.04 0.00 0.00 61.00 62.35 1urg s PRO 283 Cb 0.01 -1.76 -0.07 0.00 0.04 0.00 0.00 34.50 32.72 1urg s PRO 283 CO -0.14 -2.48 1.00 -0.06 0.04 0.00 0.00 177.00 175.36 1urg s PHE 284 N -2.75 3.32 -0.20 0.56 0.08 -1.26 -1.07 117.98 116.67 1urg s PHE 284 Ca 0.65 1.48 -0.05 0.00 0.12 0.00 0.00 56.93 59.13 1urg s PHE 284 Cb -0.21 -2.85 -0.03 0.00 -0.57 0.00 0.00 43.02 39.36 1urg s PHE 284 CO 0.58 -0.56 0.01 -1.17 -0.10 0.00 0.00 175.22 173.99 1urg s LEU 285 N -4.14 3.36 -0.03 -0.37 2.96 0.14 -4.39 118.68 116.21 1urg s LEU 285 Ca 0.60 -0.15 0.05 0.00 -0.22 0.00 0.00 54.13 54.41 1urg s LEU 285 Cb -0.12 -1.85 -0.03 0.00 0.50 0.00 0.00 46.19 44.70 1urg s LEU 285 CO 0.32 0.08 -0.17 -0.83 -1.32 0.00 0.00 176.35 174.43 1urg s GLY 286 N 0.91 1.48 -0.18 7.98 0.00 0.53 -2.45 107.32 115.58 1urg s GLY 286 Ca 0.02 -1.03 -0.01 0.00 0.00 0.00 0.00 44.72 43.69 1urg s GLY 286 CO 0.02 -0.83 -0.11 0.14 0.00 0.00 0.00 173.10 172.31 1urg s VAL 287 N -0.72 2.90 -0.09 1.40 1.01 -1.26 0.60 120.40 124.23 1urg s VAL 287 Ca 0.11 -0.67 -0.23 0.00 0.00 0.00 0.00 61.98 61.20 1urg s VAL 287 Cb -0.10 -2.26 -0.04 0.00 0.00 0.00 0.00 36.38 33.98 1urg s VAL 287 CO 0.01 0.49 0.67 -0.63 0.00 0.00 0.00 175.10 175.63 1urg s ILE 288 N 1.07 5.06 0.39 2.22 -1.09 0.20 -0.51 121.20 128.53 1urg s ILE 288 Ca -0.00 1.36 0.06 0.00 -2.23 0.00 0.00 60.65 59.84 1urg s ILE 288 Cb -0.15 -4.00 -0.07 0.00 -1.58 0.00 0.00 42.46 36.66 1urg s ILE 288 CO -0.03 0.24 0.02 0.42 -1.23 0.00 0.00 174.94 174.36 1urg s THR 289 N 0.94 1.78 0.00 2.92 -4.23 0.55 -0.19 115.64 117.42 1urg s THR 289 Ca 0.35 -2.00 0.02 0.00 -1.18 0.00 0.00 61.69 58.88 1urg s THR 289 Cb -0.17 -2.93 -0.01 0.00 1.34 0.00 0.00 72.50 70.73 1urg s THR 289 CO 0.16 0.00 -0.07 0.00 -0.54 0.00 0.00 174.62 174.17 1urg s ALA 290 N -2.86 0.55 0.31 3.99 0.00 -0.40 -1.05 121.76 122.30 1urg s ALA 290 Ca 0.35 -0.34 -0.12 0.00 0.00 0.00 0.00 51.96 51.85 1urg s ALA 290 Cb 0.09 -0.12 0.01 0.00 0.00 0.00 0.00 23.12 23.11 1urg s ALA 290 CO 0.17 0.12 0.58 -0.59 0.00 0.00 0.00 175.76 176.03 1urg s PHE 291 N -0.30 0.41 -0.06 0.00 -0.12 -0.33 -0.87 117.98 116.72 1urg s PHE 291 Ca 0.01 -0.82 0.04 0.00 -0.05 0.00 0.00 56.93 56.11 1urg s PHE 291 Cb -0.03 0.33 -0.02 0.00 -0.63 0.00 0.00 43.02 42.67 1urg s PHE 291 CO -0.00 -1.19 -0.18 0.08 -0.05 0.00 0.00 175.22 173.88 1urg s VAL 292 N -3.39 2.73 0.12 -2.49 1.01 -1.26 -1.27 120.40 115.84 1urg s VAL 292 Ca 0.21 -0.84 -0.31 0.00 0.00 0.00 0.00 61.98 61.05 1urg s VAL 292 Cb -0.02 -2.05 -0.07 0.00 0.00 0.00 0.00 36.38 34.23 1urg s VAL 292 CO 0.12 0.58 1.31 0.21 0.00 0.00 0.00 175.10 177.32 1urg s ASN 293 N -0.49 6.93 0.55 3.32 3.84 -0.11 -1.60 114.94 127.38 1urg s ASN 293 Ca 0.06 2.25 0.22 0.00 0.21 0.00 0.00 52.86 55.60 1urg s ASN 293 Cb -0.12 -2.59 1.50 0.00 -0.55 0.00 0.00 41.25 39.49 1urg s ASN 293 CO 0.01 -0.56 2.18 0.50 -2.79 0.00 0.00 177.10 176.45 1urg h LYS 294 N 6.42 0.00 0.00 0.43 1.63 -1.69 -1.97 116.57 121.38 1urg h LYS 294 Ca -0.43 0.00 0.00 0.00 -0.85 0.00 0.00 60.65 59.37 1urg h LYS 294 Cb 1.21 0.00 0.00 0.00 -0.60 0.00 0.00 32.23 32.84 1urg h LYS 294 CO 0.82 0.01 0.00 0.93 -3.45 0.00 0.00 179.45 177.77 1urg h GLU 295 N 0.00 0.00 -6.85 1.90 5.08 -1.90 -3.46 114.58 109.35 1urg h GLU 295 Ca -0.00 0.00 -0.53 0.00 -1.00 0.00 0.00 59.36 57.83 1urg h GLU 295 Cb 0.03 0.00 0.09 0.00 0.50 0.00 0.00 28.75 29.37 1urg h GLU 295 CO 0.00 0.00 0.86 0.45 -1.00 0.00 0.00 179.01 179.32 1urg s SER 296 N -4.70 6.35 0.33 1.42 0.15 -0.74 -4.90 113.70 111.61 1urg s SER 296 Ca 0.10 3.00 0.23 0.00 0.70 0.00 0.00 55.95 59.97 1urg s SER 296 Cb 0.11 -2.65 0.19 0.00 -1.71 0.00 0.00 66.02 61.97 1urg s SER 296 CO 0.60 -0.91 1.35 0.11 1.20 0.00 0.00 173.24 175.59 1urg h LYS 297 N 4.28 0.00 -2.01 5.44 1.57 -1.89 -3.37 116.57 120.60 1urg h LYS 297 Ca -0.48 0.00 -0.71 0.00 -1.87 0.00 0.00 60.65 57.59 1urg h LYS 297 Cb 1.23 0.00 -0.33 0.00 0.08 0.00 0.00 32.23 33.21 1urg h LYS 297 CO 0.75 0.00 0.36 0.25 -0.57 0.00 0.00 179.45 180.24 1urg n THR 298 N -2.91 3.89 -0.05 -0.16 -2.24 -1.26 -4.85 114.28 106.71 1urg n THR 298 Ca 0.02 -5.10 0.01 0.00 -2.27 0.00 0.00 64.05 56.71 1urg n THR 298 Cb 0.54 -1.35 0.31 0.00 -2.10 0.00 0.00 70.33 67.73 1urg n THR 298 CO 0.00 0.00 0.00 1.56 -0.57 0.00 0.00 175.07 176.06 1urg h GLN 299 N 3.21 0.64 -0.34 -0.78 4.20 -1.94 0.12 115.11 120.21 1urg h GLN 299 Ca 0.43 -0.09 -0.02 0.00 0.06 0.00 0.00 58.65 59.03 1urg h GLN 299 Cb 0.38 -0.12 -0.02 0.00 0.30 0.00 0.00 27.48 28.03 1urg h GLN 299 CO 1.13 0.54 0.15 0.00 -0.67 0.00 0.00 178.83 179.98 1urg h ALA 300 N 1.55 0.44 -0.53 3.87 0.00 -1.96 -1.16 119.26 121.47 1urg h ALA 300 Ca 0.15 -0.11 -0.10 0.00 0.00 0.00 0.00 54.91 54.85 1urg h ALA 300 Cb 0.15 -0.13 -0.02 0.00 0.00 0.00 0.00 17.79 17.79 1urg h ALA 300 CO -0.01 0.02 -0.05 0.00 0.00 0.00 0.00 179.25 179.20 1urg h ALA 301 N 1.00 0.72 -0.54 0.00 0.00 -1.89 -2.72 119.26 115.83 1urg h ALA 301 Ca 0.12 -0.32 0.08 0.00 0.00 0.00 0.00 54.91 54.79 1urg h ALA 301 Cb 0.14 -0.19 -0.07 0.00 0.00 0.00 0.00 17.79 17.68 1urg h ALA 301 CO -0.01 0.58 0.18 -0.44 0.00 0.00 0.00 179.25 179.56 1urg h ASP 302 N 0.84 0.16 0.10 0.00 3.32 -0.36 -1.00 116.42 119.48 1urg h ASP 302 Ca 0.14 0.07 -0.10 0.00 0.02 0.00 0.00 57.03 57.17 1urg h ASP 302 Cb 0.60 0.07 -0.01 0.00 0.22 0.00 0.00 39.33 40.20 1urg h ASP 302 CO 0.04 0.11 -0.32 -0.50 -1.72 0.00 0.00 179.24 176.84 1urg h TRP 303 N 0.35 0.37 -0.77 4.55 4.06 -1.12 -0.31 115.95 123.08 1urg h TRP 303 Ca 0.27 -0.09 -0.06 0.00 2.06 0.00 0.00 58.89 61.08 1urg h TRP 303 Cb 0.32 -0.09 -0.03 0.00 -1.00 0.00 0.00 29.16 28.36 1urg h TRP 303 CO -0.18 0.62 0.26 1.03 -3.56 0.00 0.00 178.44 176.61 1urg h SER 304 N 0.29 1.10 -0.27 -3.49 0.87 -1.05 -0.29 113.55 110.71 1urg h SER 304 Ca 0.04 -0.20 -0.05 0.00 -1.23 0.00 0.00 61.79 60.35 1urg h SER 304 Cb 0.72 -0.29 -0.01 0.00 -0.44 0.00 0.00 62.40 62.38 1urg h SER 304 CO 0.05 1.00 -0.03 0.25 -0.53 0.00 0.00 176.83 177.58 1urg h LEU 305 N 1.14 0.49 -0.76 2.23 5.85 -0.71 -2.62 115.31 120.93 1urg h LEU 305 Ca 0.25 -0.34 0.07 0.00 0.84 0.00 0.00 57.88 58.70 1urg h LEU 305 Cb 0.28 -0.13 -0.06 0.00 0.37 0.00 0.00 40.66 41.12 1urg h LEU 305 CO -0.01 0.71 0.44 0.58 -0.34 0.00 0.00 178.44 179.82 1urg h VAL 306 N 0.26 0.98 -0.62 1.05 2.07 -0.76 -0.80 116.25 118.43 1urg h VAL 306 Ca 0.07 -0.27 -0.01 0.00 0.82 0.00 0.00 66.70 67.31 1urg h VAL 306 Cb 0.48 0.12 -0.03 0.00 -1.52 0.00 0.00 31.29 30.34 1urg h VAL 306 CO 0.02 0.14 0.33 1.56 0.02 0.00 0.00 177.57 179.65 1urg h GLN 307 N 0.79 0.85 -0.41 1.57 4.20 -0.89 -1.05 115.11 120.17 1urg h GLN 307 Ca 0.34 -0.09 -0.15 0.00 0.06 0.00 0.00 58.65 58.81 1urg h GLN 307 Cb 0.22 -0.17 -0.01 0.00 0.30 0.00 0.00 27.48 27.82 1urg h GLN 307 CO -0.19 0.63 -0.34 0.00 -0.67 0.00 0.00 178.83 178.26 1urg h ALA 308 N 1.51 0.59 0.00 3.87 0.00 -0.89 -2.52 119.26 121.81 1urg h ALA 308 Ca 0.22 -0.44 0.00 0.00 0.00 0.00 0.00 54.91 54.69 1urg h ALA 308 Cb 0.03 -0.13 0.00 0.00 0.00 0.00 0.00 17.79 17.69 1urg h ALA 308 CO -0.04 0.66 0.00 1.28 0.00 0.00 0.00 179.25 181.16 1urg n LEU 309 N -4.08 0.40 -0.11 0.00 4.77 -0.41 -3.70 117.00 113.87 1urg n LEU 309 Ca -0.02 0.56 0.05 0.00 -0.03 0.00 0.00 56.01 56.58 1urg n LEU 309 Cb 0.52 -0.47 0.07 0.00 -2.33 0.00 0.00 43.42 41.21 1urg n LEU 309 CO 0.48 -0.25 0.48 0.35 -1.33 0.00 0.00 177.39 177.12 1urg n THR 310 N -1.91 1.22 -1.49 -5.08 -2.24 -0.45 -4.78 114.28 99.55 1urg n THR 310 Ca 0.05 -1.40 -0.29 0.00 -2.27 0.00 0.00 64.05 60.13 1urg n THR 310 Cb 0.30 0.18 0.16 0.00 -2.10 0.00 0.00 70.33 68.87 1urg n THR 310 CO 0.00 0.00 0.00 -0.94 -0.57 0.00 0.00 175.07 173.56 1urg s SER 311 N -1.85 3.03 0.22 3.42 1.04 -0.96 -4.77 113.70 113.84 1urg s SER 311 Ca 0.16 0.86 -0.09 0.00 0.48 0.00 0.00 55.95 57.35 1urg s SER 311 Cb 0.14 -1.33 0.18 0.00 0.10 0.00 0.00 66.02 65.11 1urg s SER 311 CO 0.01 -2.84 1.89 0.00 0.98 0.00 0.00 173.24 173.29 1urg h ALA 312 N -1.70 1.04 -0.61 5.32 0.00 -1.94 -0.20 119.26 121.18 1urg h ALA 312 Ca -0.49 -0.06 -0.01 0.00 0.00 0.00 0.00 54.91 54.35 1urg h ALA 312 Cb 1.32 -0.33 -0.03 0.00 0.00 0.00 0.00 17.79 18.74 1urg h ALA 312 CO 0.55 0.45 0.35 1.96 0.00 0.00 0.00 179.25 182.57 1urg h GLN 313 N 1.12 0.84 -0.13 0.00 1.08 -1.94 -1.94 115.11 114.13 1urg h GLN 313 Ca 0.30 -0.09 -0.00 0.00 -1.45 0.00 0.00 58.65 57.41 1urg h GLN 313 Cb -0.13 -0.17 -0.01 0.00 -0.05 0.00 0.00 27.48 27.12 1urg h GLN 313 CO -0.07 0.62 0.06 0.00 -0.95 0.00 0.00 178.83 178.50 1urg h ALA 314 N 1.17 0.16 -0.01 3.87 0.00 -1.65 -2.59 119.26 120.22 1urg h ALA 314 Ca 0.22 -0.07 -0.01 0.00 0.00 0.00 0.00 54.91 55.05 1urg h ALA 314 Cb 0.01 -0.05 -0.00 0.00 0.00 0.00 0.00 17.79 17.75 1urg h ALA 314 CO -0.04 -0.28 -0.03 1.96 0.00 0.00 0.00 179.25 180.86 1urg h GLN 315 N 0.09 0.01 -0.46 0.00 4.20 -0.83 -0.34 115.11 117.78 1urg h GLN 315 Ca 0.04 -0.00 -0.10 0.00 0.06 0.00 0.00 58.65 58.65 1urg h GLN 315 Cb 0.10 -0.00 -0.01 0.00 0.30 0.00 0.00 27.48 27.87 1urg h GLN 315 CO -0.01 0.04 -0.10 1.96 -0.67 0.00 0.00 178.83 180.06 1urg h GLN 316 N 0.01 0.88 -0.45 1.46 4.20 -1.08 -2.33 115.11 117.81 1urg h GLN 316 Ca 0.00 -0.33 -0.05 0.00 0.06 0.00 0.00 58.65 58.34 1urg h GLN 316 Cb 0.06 -0.05 -0.02 0.00 0.30 0.00 0.00 27.48 27.76 1urg h GLN 316 CO 0.00 0.97 0.10 0.52 -0.67 0.00 0.00 178.83 179.76 1urg h MET 317 N 0.72 0.72 -0.05 1.46 2.86 -0.74 -2.49 114.93 117.41 1urg h MET 317 Ca 0.12 -0.18 -0.03 0.00 -2.06 0.00 0.00 59.70 57.55 1urg h MET 317 Cb 0.64 -0.09 -0.01 0.00 0.06 0.00 0.00 31.60 32.20 1urg h MET 317 CO 0.04 0.73 -0.09 1.88 1.06 0.00 0.00 176.91 180.53 1urg h TYR 318 N 0.60 0.07 -0.16 -0.22 0.99 -1.07 -2.67 116.97 114.51 1urg h TYR 318 Ca 0.14 -0.00 -0.21 0.00 2.00 0.00 0.00 58.73 60.66 1urg h TYR 318 Cb 0.33 -0.02 0.01 0.00 1.00 0.00 0.00 36.73 38.05 1urg h TYR 318 CO 0.02 0.17 -0.73 0.35 -0.00 0.00 0.00 178.16 177.96 1urg h PHE 319 N 0.07 0.96 -0.67 4.88 3.57 -1.13 -3.33 116.94 121.29 1urg h PHE 319 Ca 0.02 -0.41 0.07 0.00 3.53 0.00 0.00 57.97 61.18 1urg h PHE 319 Cb 0.21 -0.15 -0.09 0.00 2.79 0.00 0.00 35.95 38.71 1urg h PHE 319 CO 0.00 1.22 -0.36 -2.13 -2.23 0.00 0.00 178.31 174.81 1urg n ARG 320 N -3.92 -0.26 -0.12 1.11 0.63 -0.96 -1.05 116.66 112.08 1urg n ARG 320 Ca -0.06 1.02 -0.23 0.00 -0.92 0.00 0.00 57.85 57.66 1urg n ARG 320 Cb 0.72 -1.50 -0.08 0.00 0.45 0.00 0.00 32.46 32.05 1urg n ARG 320 CO 0.00 0.00 0.00 -0.25 -2.51 0.00 0.00 177.63 174.87 1urg n ASP 321 N -4.87 1.94 0.14 6.15 8.00 -1.26 -4.60 116.55 122.05 1urg n ASP 321 Ca 0.03 0.35 0.13 0.00 0.71 0.00 0.00 54.79 56.01 1urg n ASP 321 Cb 0.20 -0.81 0.42 0.00 -0.02 0.00 0.00 41.12 40.91 1urg n ASP 321 CO 0.00 0.00 0.00 0.77 -0.39 0.00 0.00 177.20 177.58 1urg h SER 322 N -1.00 0.00 -1.39 -2.24 4.64 -1.70 -3.43 113.55 108.43 1urg h SER 322 Ca -0.47 0.00 -0.21 0.00 -0.47 0.00 0.00 61.79 60.65 1urg h SER 322 Cb 1.39 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 63.46 1urg h SER 322 CO -0.28 0.00 -0.26 0.00 -0.87 0.00 0.00 176.83 175.42 1urg n GLN 323 N -2.45 -0.81 -1.90 4.77 6.02 -0.22 -4.57 117.38 118.22 1urg n GLN 323 Ca 0.04 0.52 -0.42 0.00 -0.01 0.00 0.00 57.00 57.13 1urg n GLN 323 Cb 0.38 -4.59 -0.03 0.00 1.02 0.00 0.00 30.24 27.02 1urg n GLN 323 CO 0.00 0.00 0.00 -1.14 -1.01 0.00 0.00 177.06 174.91 1urg s GLN 324 N -4.39 4.19 -0.05 -1.09 2.00 -1.25 -4.86 119.66 114.20 1urg s GLN 324 Ca 0.00 2.35 -0.30 0.00 -2.00 0.00 0.00 55.36 55.41 1urg s GLN 324 Cb 0.00 -3.71 -0.04 0.00 0.80 0.00 0.00 33.01 30.05 1urg s GLN 324 CO 0.00 -0.78 1.41 0.42 -0.50 0.00 0.00 175.29 175.84 1urg s ILE 325 N 3.04 3.85 0.54 -2.34 -1.09 -1.26 -4.13 121.20 119.82 1urg s ILE 325 Ca 0.76 1.15 -0.20 0.00 -2.23 0.00 0.00 60.65 60.13 1urg s ILE 325 Cb -0.39 -3.74 -0.05 0.00 -1.58 0.00 0.00 42.46 36.69 1urg s ILE 325 CO 0.33 -0.04 1.19 -2.16 -1.23 0.00 0.00 174.94 173.03 1urg s PRO 326 N 2.95 3.28 0.12 2.79 0.04 -1.26 -1.64 135.00 141.28 1urg s PRO 326 Ca 0.63 1.80 0.01 0.00 0.04 0.00 0.00 61.00 63.48 1urg s PRO 326 Cb -0.29 -2.10 -0.14 0.00 0.04 0.00 0.00 34.50 32.01 1urg s PRO 326 CO 0.24 -0.95 1.28 0.00 0.04 0.00 0.00 177.00 177.60 1urg h ALA 327 N 1.31 0.34 -2.43 8.56 0.00 -1.77 -3.41 119.26 121.86 1urg h ALA 327 Ca -0.50 -0.81 -0.54 0.00 0.00 0.00 0.00 54.91 53.06 1urg h ALA 327 Cb 1.28 -0.06 0.01 0.00 0.00 0.00 0.00 17.79 19.02 1urg h ALA 327 CO 0.57 0.99 0.84 -0.51 0.00 0.00 0.00 179.25 181.14 1urg s LEU 328 N -7.23 4.34 0.36 0.00 1.43 -1.26 -4.57 118.68 111.76 1urg s LEU 328 Ca -0.03 2.25 0.04 0.00 -1.03 0.00 0.00 54.13 55.36 1urg s LEU 328 Cb 0.09 -3.57 0.68 0.00 0.03 0.00 0.00 46.19 43.43 1urg s LEU 328 CO 0.85 -0.74 1.99 -0.07 0.23 0.00 0.00 176.35 178.60 1urg h LEU 329 N 8.01 0.60 -1.17 1.79 3.38 -1.59 -2.28 115.31 124.05 1urg h LEU 329 Ca -0.40 -0.04 -0.06 0.00 0.09 0.00 0.00 57.88 57.47 1urg h LEU 329 Cb 1.19 -0.15 -0.02 0.00 0.09 0.00 0.00 40.66 41.77 1urg h LEU 329 CO 0.90 0.49 -0.12 0.77 0.09 0.00 0.00 178.44 180.57 1urg h SER 330 N 0.69 0.42 1.05 -0.43 4.64 -1.91 -2.32 113.55 115.68 1urg h SER 330 Ca 0.18 -0.10 -0.20 0.00 -0.47 0.00 0.00 61.79 61.20 1urg h SER 330 Cb 0.02 -0.11 -0.03 0.00 -0.31 0.00 0.00 62.40 61.97 1urg h SER 330 CO -0.03 0.57 -0.96 0.58 -0.87 0.00 0.00 176.83 176.13 1urg h VAL 331 N 0.40 1.58 0.00 0.95 2.07 -1.85 -3.07 116.25 116.34 1urg h VAL 331 Ca 0.08 -3.25 -0.02 0.00 0.82 0.00 0.00 66.70 64.32 1urg h VAL 331 Cb 0.46 2.78 -0.00 0.00 -1.52 0.00 0.00 31.29 33.00 1urg h VAL 331 CO 0.03 0.90 -0.12 1.56 0.02 0.00 0.00 177.57 179.96 1urg h GLN 332 N 0.00 0.00 0.00 1.57 4.20 -0.98 -1.92 115.11 117.99 1urg h GLN 332 Ca -0.02 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.69 1urg h GLN 332 Cb 1.73 0.00 0.00 0.00 0.30 0.00 0.00 27.48 29.51 1urg h GLN 332 CO 0.12 0.12 0.00 0.54 -0.67 0.00 0.00 178.83 178.94 1urg n ARG 333 N -4.08 0.17 -1.90 1.46 1.74 -0.91 -4.06 116.66 109.07 1urg n ARG 333 Ca -0.02 0.01 -0.38 0.00 -0.77 0.00 0.00 57.85 56.69 1urg n ARG 333 Cb 0.20 -1.50 0.03 0.00 -1.02 0.00 0.00 32.46 30.17 1urg n ARG 333 CO 0.00 0.00 0.00 -1.54 -1.52 0.00 0.00 177.63 174.57 1urg s SER 334 N -2.83 5.41 0.29 0.55 1.04 -0.72 -4.80 113.70 112.65 1urg s SER 334 Ca 0.19 2.63 -0.02 0.00 0.48 0.00 0.00 55.95 59.23 1urg s SER 334 Cb 0.19 -2.62 0.42 0.00 0.10 0.00 0.00 66.02 64.11 1urg s SER 334 CO 0.49 -1.46 1.96 0.77 0.98 0.00 0.00 173.24 175.98 1urg h SER 335 N 1.49 0.98 -1.01 7.02 4.64 -1.89 -0.88 113.55 123.89 1urg h SER 335 Ca -0.51 -0.02 0.03 0.00 -0.47 0.00 0.00 61.79 60.82 1urg h SER 335 Cb 1.29 -0.24 -0.06 0.00 -0.31 0.00 0.00 62.40 63.08 1urg h SER 335 CO 0.57 0.70 0.66 0.00 -0.87 0.00 0.00 176.83 177.90 1urg h ALA 336 N 1.47 1.32 -0.03 5.18 0.00 -1.94 -1.68 119.26 123.57 1urg h ALA 336 Ca 0.32 -0.06 -0.11 0.00 0.00 0.00 0.00 54.91 55.06 1urg h ALA 336 Cb -0.10 -0.38 0.01 0.00 0.00 0.00 0.00 17.79 17.32 1urg h ALA 336 CO -0.08 0.60 -0.42 0.28 0.00 0.00 0.00 179.25 179.63 1urg h VAL 337 N 1.31 1.45 -0.44 0.00 2.07 -1.72 -3.17 116.25 115.75 1urg h VAL 337 Ca 0.39 -1.92 0.09 0.00 0.82 0.00 0.00 66.70 66.08 1urg h VAL 337 Cb -0.06 2.53 -0.02 0.00 -1.52 0.00 0.00 31.29 32.22 1urg h VAL 337 CO -0.11 0.55 0.30 1.56 0.02 0.00 0.00 177.57 179.90 1urg h GLN 338 N -0.20 0.21 -0.02 1.57 1.08 -0.92 -2.31 115.11 114.52 1urg h GLN 338 Ca -0.04 -0.01 0.00 0.00 -1.45 0.00 0.00 58.65 57.14 1urg h GLN 338 Cb 1.12 -0.05 0.00 0.00 -0.05 0.00 0.00 27.48 28.51 1urg h GLN 338 CO 0.08 0.14 -0.11 -1.13 -0.95 0.00 0.00 178.83 176.86 1urg n SER 339 N -4.46 1.67 -4.79 1.46 3.41 -0.65 -4.71 113.62 105.55 1urg n SER 339 Ca 0.07 -1.42 -0.36 0.00 -0.26 0.00 0.00 58.87 56.89 1urg n SER 339 Cb 0.36 0.08 -0.06 0.00 -0.26 0.00 0.00 64.21 64.33 1urg n SER 339 CO 0.00 0.00 0.00 -0.94 -0.16 0.00 0.00 175.04 173.94 1urg s SER 340 N -2.18 7.09 0.35 4.04 1.04 -0.87 -4.96 113.70 118.22 1urg s SER 340 Ca 0.31 1.87 0.05 0.00 0.48 0.00 0.00 55.95 58.66 1urg s SER 340 Cb 0.20 -2.57 0.66 0.00 0.10 0.00 0.00 66.02 64.40 1urg s SER 340 CO 0.40 -0.25 1.92 1.55 0.98 0.00 0.00 173.24 177.84 1urg h PRO 341 N 2.73 0.55 -0.43 4.02 0.13 -1.92 -2.09 132.00 134.98 1urg h PRO 341 Ca -0.48 -0.09 -0.03 0.00 -0.87 0.00 0.00 66.00 64.53 1urg h PRO 341 Cb 1.20 -0.09 -0.02 0.00 0.13 0.00 0.00 31.00 32.21 1urg h PRO 341 CO 0.63 0.51 0.16 1.15 -0.23 0.00 0.00 178.00 180.23 1urg h THR 342 N 0.54 1.21 -0.28 1.56 2.02 -1.92 -2.41 112.91 113.62 1urg h THR 342 Ca 0.12 -0.65 -0.11 0.00 0.77 0.00 0.00 66.41 66.54 1urg h THR 342 Cb 0.22 0.83 -0.01 0.00 -1.74 0.00 0.00 68.15 67.45 1urg h THR 342 CO -0.00 0.24 -0.30 0.15 0.37 0.00 0.00 175.52 175.98 1urg h PHE 343 N 0.55 0.67 -0.49 3.16 3.57 -1.73 -2.20 116.94 120.47 1urg h PHE 343 Ca 0.14 -0.16 -0.00 0.00 3.53 0.00 0.00 57.97 61.48 1urg h PHE 343 Cb 0.21 -0.16 -0.02 0.00 2.79 0.00 0.00 35.95 38.77 1urg h PHE 343 CO 0.00 0.82 0.29 -0.22 -2.23 0.00 0.00 178.31 176.97 1urg h LYS 344 N 0.50 0.67 -0.65 1.11 3.64 -1.16 0.63 116.57 121.32 1urg h LYS 344 Ca 0.06 -0.06 -0.06 0.00 -1.27 0.00 0.00 60.65 59.32 1urg h LYS 344 Cb 0.77 -0.14 -0.03 0.00 -0.41 0.00 0.00 32.23 32.42 1urg h LYS 344 CO 0.06 0.50 0.16 0.00 -2.27 0.00 0.00 179.45 177.90 1urg h ALA 345 N 1.14 0.86 0.06 5.00 0.00 -1.35 -2.55 119.26 122.41 1urg h ALA 345 Ca 0.18 -0.24 0.01 0.00 0.00 0.00 0.00 54.91 54.86 1urg h ALA 345 Cb 0.00 -0.25 -0.02 0.00 0.00 0.00 0.00 17.79 17.52 1urg h ALA 345 CO -0.03 0.57 -0.13 0.35 0.00 0.00 0.00 179.25 180.01 1urg h PHE 346 N 0.96 -0.33 0.00 0.00 3.57 -0.85 -2.12 116.94 118.17 1urg h PHE 346 Ca 0.20 0.01 -0.03 0.00 3.53 0.00 0.00 57.97 61.68 1urg h PHE 346 Cb 0.36 0.14 -0.00 0.00 2.79 0.00 0.00 35.95 39.24 1urg h PHE 346 CO 0.03 -0.20 -0.15 -0.24 -2.23 0.00 0.00 178.31 175.52 1urg h VAL 347 N -0.25 0.85 0.00 1.41 3.04 -0.79 0.89 116.25 121.41 1urg h VAL 347 Ca 0.03 -0.58 -0.05 0.00 -1.01 0.00 0.00 66.70 65.09 1urg h VAL 347 Cb 0.28 1.34 -0.01 0.00 -2.01 0.00 0.00 31.29 30.89 1urg h VAL 347 CO -0.09 0.15 -0.35 -0.33 -1.01 0.00 0.00 177.57 175.94 1urg h GLU 348 N 0.00 0.00 0.00 4.17 5.08 -1.09 -3.33 114.58 119.41 1urg h GLU 348 Ca -0.00 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 1urg h GLU 348 Cb 0.32 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.57 1urg h GLU 348 CO 0.02 0.22 -1.57 1.04 -1.00 0.00 0.00 179.01 177.73 1urg n GLN 349 N -3.11 0.67 -0.21 2.33 6.02 -0.83 -4.69 117.38 117.55 1urg n GLN 349 Ca 0.02 -0.12 0.00 0.00 -0.01 0.00 0.00 57.00 56.89 1urg n GLN 349 Cb 0.63 -1.43 0.08 0.00 1.02 0.00 0.00 30.24 30.54 1urg n GLN 349 CO 0.00 0.00 0.00 1.25 -1.01 0.00 0.00 177.06 177.30 1urg h LEU 350 N 0.00 -0.49 0.00 1.08 5.85 -0.95 -0.09 115.31 120.71 1urg h LEU 350 Ca 0.00 0.18 0.00 0.00 0.84 0.00 0.00 57.88 58.90 1urg h LEU 350 Cb 0.74 0.36 0.00 0.00 0.37 0.00 0.00 40.66 42.13 1urg h LEU 350 CO 0.00 -0.19 0.00 -2.11 -0.34 0.00 0.00 178.44 175.80 1urg n ARG 351 N -5.39 0.01 -0.00 1.25 1.85 -1.26 -1.84 116.66 111.27 1urg n ARG 351 Ca 0.08 0.29 0.08 0.00 -1.00 0.00 0.00 57.85 57.30 1urg n ARG 351 Cb 0.35 -1.50 -0.10 0.00 -1.05 0.00 0.00 32.46 30.16 1urg n ARG 351 CO 0.00 0.00 0.00 0.66 -0.01 0.00 0.00 177.63 178.28 1urg n TYR 352 N -1.49 0.00 -2.40 2.89 4.02 -0.12 -4.99 117.16 115.06 1urg n TYR 352 Ca 0.03 0.00 -0.36 0.00 -0.01 0.00 0.00 57.90 57.56 1urg n TYR 352 Cb 0.14 -0.06 -0.02 0.00 -0.02 0.00 0.00 39.34 39.38 1urg n TYR 352 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 176.86 175.85 1urg s ALA 353 N -2.66 2.99 -0.20 -0.72 0.00 -0.73 -4.42 121.76 116.01 1urg s ALA 353 Ca 0.04 0.80 -0.02 0.00 0.00 0.00 0.00 51.96 52.79 1urg s ALA 353 Cb 0.12 -3.33 0.00 0.00 0.00 0.00 0.00 23.12 19.92 1urg s ALA 353 CO 0.69 -0.46 -0.10 0.08 0.00 0.00 0.00 175.76 175.97 1urg s VAL 354 N -1.65 2.90 0.26 0.00 1.01 -0.23 -4.82 120.40 117.87 1urg s VAL 354 Ca 0.62 -0.66 -0.30 0.00 0.00 0.00 0.00 61.98 61.64 1urg s VAL 354 Cb -0.24 -2.28 -0.10 0.00 0.00 0.00 0.00 36.38 33.75 1urg s VAL 354 CO 0.30 0.47 1.50 -2.16 0.00 0.00 0.00 175.10 175.21 1urg s PRO 355 N 1.30 4.22 0.40 2.72 0.04 -1.26 -0.68 135.00 141.74 1urg s PRO 355 Ca 0.04 2.40 -0.27 0.00 0.04 0.00 0.00 61.00 63.21 1urg s PRO 355 Cb -0.14 -3.08 -0.10 0.00 0.04 0.00 0.00 34.50 31.22 1urg s PRO 355 CO -0.05 -0.50 1.43 -1.64 0.04 0.00 0.00 177.00 176.28 1urg s MET 356 N -0.34 3.98 0.48 4.56 -1.94 -1.03 -4.82 119.30 120.19 1urg s MET 356 Ca 0.61 2.45 -0.23 0.00 -1.71 0.00 0.00 55.69 56.81 1urg s MET 356 Cb -0.44 -2.86 -0.07 0.00 2.01 0.00 0.00 34.83 33.48 1urg s MET 356 CO 0.44 -0.59 1.25 -2.14 -0.01 0.00 0.00 175.02 173.98 1urg s PRO 357 N -2.20 3.60 0.00 2.03 0.02 -1.26 -4.81 135.00 132.38 1urg s PRO 357 Ca 0.55 1.99 0.09 0.00 0.02 0.00 0.00 61.00 63.66 1urg s PRO 357 Cb -0.44 -2.42 0.22 0.00 0.02 0.00 0.00 34.50 31.88 1urg s PRO 357 CO 0.59 -0.75 1.14 0.27 -0.33 0.00 0.00 177.00 177.92 1urg n ASN 358 N -0.54 2.60 -4.81 2.53 0.23 -1.26 -4.53 115.26 109.48 1urg n ASN 358 Ca 0.08 -1.90 -0.33 0.00 -0.53 0.00 0.00 54.58 51.90 1urg n ASN 358 Cb 0.46 -0.16 -0.00 0.00 -2.08 0.00 0.00 39.78 38.00 1urg n ASN 358 CO 0.00 0.00 0.00 0.27 -0.93 0.00 0.00 177.26 176.60 1urg s ILE 359 N -0.96 3.89 0.32 1.53 -4.36 -1.26 -2.62 121.20 117.74 1urg s ILE 359 Ca 0.18 0.95 0.09 0.00 -0.26 0.00 0.00 60.65 61.61 1urg s ILE 359 Cb 0.10 -3.44 0.31 0.00 1.25 0.00 0.00 42.46 40.68 1urg s ILE 359 CO 0.13 -0.48 1.73 -0.65 0.24 0.00 0.00 174.94 175.92 1urg h PRO 360 N 0.71 0.59 -0.01 0.37 0.11 -1.90 -1.13 132.00 130.74 1urg h PRO 360 Ca -0.47 -0.04 0.00 0.00 0.11 0.00 0.00 66.00 65.60 1urg h PRO 360 Cb 1.22 -0.13 -0.00 0.00 0.11 0.00 0.00 31.00 32.19 1urg h PRO 360 CO 0.58 0.39 0.04 1.96 -0.21 0.00 0.00 178.00 180.76 1urg h GLN 361 N 0.61 0.00 0.00 1.05 7.50 -1.98 -2.00 115.11 120.29 1urg h GLN 361 Ca 0.64 0.00 -0.02 0.00 0.50 0.00 0.00 58.65 59.77 1urg h GLN 361 Cb 1.18 0.00 -0.00 0.00 0.05 0.00 0.00 27.48 28.71 1urg h GLN 361 CO -0.46 0.00 -0.07 1.98 -1.50 0.00 0.00 178.83 178.77 1urg h MET 362 N 0.00 0.00 -0.07 1.46 4.05 -1.54 -1.15 114.93 117.68 1urg h MET 362 Ca 0.00 0.00 -0.09 0.00 -0.28 0.00 0.00 59.70 59.33 1urg h MET 362 Cb 0.08 0.00 -0.01 0.00 -0.80 0.00 0.00 31.60 30.86 1urg h MET 362 CO -0.00 0.07 -0.38 1.96 0.23 0.00 0.00 176.91 178.79 1urg h GLN 363 N 0.00 0.14 0.00 0.39 1.08 -1.56 -1.74 115.11 113.42 1urg h GLN 363 Ca -0.00 -0.06 -0.05 0.00 -1.45 0.00 0.00 58.65 57.09 1urg h GLN 363 Cb 0.16 -0.00 -0.01 0.00 -0.05 0.00 0.00 27.48 27.58 1urg h GLN 363 CO 0.01 0.51 -0.22 0.00 -0.95 0.00 0.00 178.83 178.18 1urg h ALA 364 N 1.49 1.54 -0.01 3.87 0.00 -1.37 -1.87 119.26 122.92 1urg h ALA 364 Ca 0.01 -0.20 -0.00 0.00 0.00 0.00 0.00 54.91 54.72 1urg h ALA 364 Cb 0.73 -0.03 -0.00 0.00 0.00 0.00 0.00 17.79 18.49 1urg h ALA 364 CO 0.06 0.27 -0.01 0.28 0.00 0.00 0.00 179.25 179.84 1urg h VAL 365 N 0.00 1.42 -0.68 0.00 2.07 -1.27 -2.69 116.25 115.10 1urg h VAL 365 Ca -0.00 -1.24 0.02 0.00 0.82 0.00 0.00 66.70 66.30 1urg h VAL 365 Cb 0.41 2.24 -0.04 0.00 -1.52 0.00 0.00 31.29 32.38 1urg h VAL 365 CO 0.03 0.32 0.45 -0.50 0.02 0.00 0.00 177.57 177.89 1urg h TRP 366 N -0.50 0.82 0.00 1.57 -0.00 -1.17 -2.25 115.95 114.42 1urg h TRP 366 Ca 0.00 0.02 0.00 0.00 -0.00 0.00 0.00 58.89 58.91 1urg h TRP 366 Cb 0.54 -0.27 0.00 0.00 -0.00 0.00 0.00 29.16 29.42 1urg h TRP 366 CO 0.11 0.49 0.00 0.00 -0.00 0.00 0.00 178.44 179.04 1urg n GLN 367 N -4.45 0.25 0.00 0.49 10.64 -0.73 -2.95 117.38 120.63 1urg n GLN 367 Ca 0.08 0.26 0.11 0.00 -1.83 0.00 0.00 57.00 55.61 1urg n GLN 367 Cb 0.09 -1.82 0.05 0.00 -0.86 0.00 0.00 30.24 27.70 1urg n GLN 367 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.06 175.23 1urg n ALA 368 N -1.78 2.92 0.24 2.61 0.00 -0.89 -4.49 120.51 119.12 1urg n ALA 368 Ca 0.05 -0.65 0.16 0.00 0.00 0.00 0.00 53.44 53.00 1urg n ALA 368 Cb 0.39 -0.75 0.86 0.00 0.00 0.00 0.00 19.45 19.95 1urg n ALA 368 CO 0.00 0.00 0.00 1.98 0.00 0.00 0.00 177.50 179.48 1urg h MET 369 N 3.45 0.00 -0.24 0.00 -1.53 -1.34 -2.95 114.93 112.33 1urg h MET 369 Ca 0.00 0.00 0.07 0.00 -3.44 0.00 0.00 59.70 56.33 1urg h MET 369 Cb 0.83 0.00 -0.01 0.00 -0.55 0.00 0.00 31.60 31.87 1urg h MET 369 CO 0.00 0.00 0.30 0.66 0.14 0.00 0.00 176.91 178.01 1urg h SER 370 N 0.00 0.00 -0.02 1.39 4.64 -1.80 -1.34 113.55 116.42 1urg h SER 370 Ca 0.05 0.00 0.01 0.00 -0.47 0.00 0.00 61.79 61.38 1urg h SER 370 Cb 0.31 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 62.39 1urg h SER 370 CO -0.00 0.00 0.02 0.40 -0.87 0.00 0.00 176.83 176.38 1urg h ILE 371 N 0.00 0.89 -0.13 0.95 1.08 -1.89 -1.70 117.51 116.71 1urg h ILE 371 Ca 0.11 0.00 -0.00 0.00 -0.39 0.00 0.00 64.86 64.58 1urg h ILE 371 Cb 0.72 0.99 -0.01 0.00 -3.07 0.00 0.00 36.82 35.45 1urg h ILE 371 CO -0.00 0.00 0.08 -0.07 -0.69 0.00 0.00 178.15 177.47 1urg h LEU 372 N 0.00 0.15 -1.01 1.44 3.38 -1.50 -0.71 115.31 117.06 1urg h LEU 372 Ca 0.01 -0.00 -0.10 0.00 0.09 0.00 0.00 57.88 57.87 1urg h LEU 372 Cb 0.05 -0.04 -0.01 0.00 0.09 0.00 0.00 40.66 40.75 1urg h LEU 372 CO -0.00 0.12 -0.42 -0.61 0.09 0.00 0.00 178.44 177.62 1urg h GLN 373 N 0.18 0.16 -0.32 1.13 4.15 -1.49 -1.23 115.11 117.68 1urg h GLN 373 Ca 0.05 -0.08 -0.13 0.00 0.77 0.00 0.00 58.65 59.26 1urg h GLN 373 Cb -0.00 -0.00 -0.01 0.00 0.21 0.00 0.00 27.48 27.67 1urg h GLN 373 CO -0.01 0.56 -0.34 -0.91 -1.93 0.00 0.00 178.83 176.19 1urg h ASN 374 N 0.14 0.75 -0.34 -0.69 2.35 -1.22 -0.06 115.58 116.50 1urg h ASN 374 Ca 0.01 -0.31 -0.08 0.00 -0.55 0.00 0.00 56.30 55.36 1urg h ASN 374 Cb 0.80 -0.21 -0.01 0.00 0.05 0.00 0.00 38.32 38.95 1urg h ASN 374 CO 0.06 1.02 -0.11 0.40 -1.65 0.00 0.00 177.43 177.16 1urg h ILE 375 N 0.60 1.28 -0.36 2.81 2.04 -1.12 0.24 117.51 123.00 1urg h ILE 375 Ca 0.06 -1.19 -0.08 0.00 1.00 0.00 0.00 64.86 64.65 1urg h ILE 375 Cb 0.87 1.34 -0.02 0.00 -0.74 0.00 0.00 36.82 38.27 1urg h ILE 375 CO 0.08 0.39 -0.13 0.40 0.00 0.00 0.00 178.15 178.89 1urg h ILE 376 N 0.46 1.25 -0.00 -0.67 1.08 -1.08 -2.51 117.51 116.04 1urg h ILE 376 Ca 0.08 -1.12 0.00 0.00 -0.39 0.00 0.00 64.86 63.43 1urg h ILE 376 Cb 0.62 1.11 0.00 0.00 -3.07 0.00 0.00 36.82 35.49 1urg h ILE 376 CO 0.04 0.37 -0.07 0.00 -0.69 0.00 0.00 178.15 177.80 1urg n ALA 377 N -2.48 2.61 -1.11 1.87 0.00 -0.05 -4.81 120.51 116.53 1urg n ALA 377 Ca 0.01 -0.19 -0.04 0.00 0.00 0.00 0.00 53.44 53.22 1urg n ALA 377 Cb 0.35 -1.41 -0.02 0.00 0.00 0.00 0.00 19.45 18.37 1urg n ALA 377 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1urg n GLY 378 N 1.34 0.68 0.15 0.00 0.00 -0.68 -4.90 105.19 101.78 1urg n GLY 378 Ca 0.12 -0.88 0.02 0.00 0.00 0.00 0.00 46.02 45.28 1urg n GLY 378 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1urg h LYS 379 N 0.01 0.00 -4.17 1.61 6.56 -1.24 -3.45 116.57 115.89 1urg h LYS 379 Ca -0.08 0.00 -0.16 0.00 -1.06 0.00 0.00 60.65 59.35 1urg h LYS 379 Cb 0.26 0.00 -0.18 0.00 -0.57 0.00 0.00 32.23 31.73 1urg h LYS 379 CO 0.12 0.53 -0.70 0.08 -2.06 0.00 0.00 179.45 177.42 1urg s VAL 380 N -3.34 0.23 0.60 0.50 1.01 -1.19 -5.03 120.40 113.17 1urg s VAL 380 Ca 0.01 -1.32 -0.13 0.00 0.00 0.00 0.00 61.98 60.54 1urg s VAL 380 Cb 0.10 -0.84 -0.04 0.00 0.00 0.00 0.00 36.38 35.60 1urg s VAL 380 CO 0.73 -0.69 1.03 -0.94 0.00 0.00 0.00 175.10 175.22 1urg s SER 381 N -2.10 6.15 0.43 3.32 1.04 -1.26 -4.48 113.70 116.81 1urg s SER 381 Ca -0.05 1.54 0.10 0.00 0.48 0.00 0.00 55.95 58.01 1urg s SER 381 Cb -0.03 -2.49 0.95 0.00 0.10 0.00 0.00 66.02 64.56 1urg s SER 381 CO -0.04 -0.92 2.05 1.55 0.98 0.00 0.00 173.24 176.86 1urg h PRO 382 N 0.05 0.44 0.52 4.02 0.13 -1.92 0.23 132.00 135.47 1urg h PRO 382 Ca -0.45 -0.03 -0.03 0.00 -0.87 0.00 0.00 66.00 64.63 1urg h PRO 382 Cb 1.19 -0.10 0.01 0.00 0.13 0.00 0.00 31.00 32.23 1urg h PRO 382 CO 0.60 0.29 -0.25 0.93 -0.23 0.00 0.00 178.00 179.34 1urg h GLU 383 N 0.45 -0.68 -0.40 0.86 3.07 -1.92 -1.44 114.58 114.52 1urg h GLU 383 Ca 0.17 0.05 -0.13 0.00 -0.50 0.00 0.00 59.36 58.94 1urg h GLU 383 Cb 0.10 0.15 -0.01 0.00 -0.84 0.00 0.00 28.75 28.16 1urg h GLU 383 CO -0.04 -0.40 -0.27 0.37 -1.40 0.00 0.00 179.01 177.27 1urg h GLN 384 N -0.83 0.84 -0.98 2.33 5.75 -1.89 -2.99 115.11 117.34 1urg h GLN 384 Ca -0.07 -0.37 0.01 0.00 -0.15 0.00 0.00 58.65 58.07 1urg h GLN 384 Cb 0.59 -0.02 -0.05 0.00 1.07 0.00 0.00 27.48 29.07 1urg h GLN 384 CO 0.12 1.01 0.65 0.78 -2.65 0.00 0.00 178.83 178.74 1urg h GLY 385 N 0.92 1.39 0.99 2.39 0.00 -0.53 -0.66 103.07 107.57 1urg h GLY 385 Ca 0.09 -0.51 0.01 0.00 0.00 0.00 0.00 47.33 46.91 1urg h GLY 385 CO 0.07 0.50 0.51 0.00 0.00 0.00 0.00 176.54 177.62 1urg h ALA 386 N 1.36 0.99 -0.33 3.60 0.00 -1.13 -0.26 119.26 123.49 1urg h ALA 386 Ca 0.36 -0.05 -0.06 0.00 0.00 0.00 0.00 54.91 55.16 1urg h ALA 386 Cb -0.14 -0.31 -0.01 0.00 0.00 0.00 0.00 17.79 17.33 1urg h ALA 386 CO -0.08 0.39 -0.03 -0.22 0.00 0.00 0.00 179.25 179.31 1urg h LYS 387 N 1.05 0.60 -0.56 0.00 3.64 -1.22 -2.49 116.57 117.59 1urg h LYS 387 Ca 0.29 -0.21 -0.06 0.00 -1.27 0.00 0.00 60.65 59.40 1urg h LYS 387 Cb -0.11 -0.05 -0.02 0.00 -0.41 0.00 0.00 32.23 31.64 1urg h LYS 387 CO -0.07 0.75 0.11 -0.44 -2.27 0.00 0.00 179.45 177.53 1urg h ASP 388 N 0.40 0.82 0.44 4.20 3.45 -0.87 -1.93 116.42 122.94 1urg h ASP 388 Ca 0.09 -0.16 -0.02 0.00 0.43 0.00 0.00 57.03 57.36 1urg h ASP 388 Cb 0.49 -0.22 0.00 0.00 -0.56 0.00 0.00 39.33 39.05 1urg h ASP 388 CO 0.02 0.82 -0.21 0.15 -1.57 0.00 0.00 179.24 178.45 1urg h PHE 389 N 0.83 -0.55 -0.82 4.55 3.57 -0.92 -1.13 116.94 122.47 1urg h PHE 389 Ca 0.18 -0.01 -0.02 0.00 3.53 0.00 0.00 57.97 61.65 1urg h PHE 389 Cb 0.35 0.18 -0.04 0.00 2.79 0.00 0.00 35.95 39.23 1urg h PHE 389 CO 0.02 -0.32 0.44 0.28 -2.23 0.00 0.00 178.31 176.51 1urg h VAL 390 N -0.65 1.24 -0.60 1.41 2.07 -1.37 -2.07 116.25 116.28 1urg h VAL 390 Ca -0.06 -0.61 -0.09 0.00 0.82 0.00 0.00 66.70 66.76 1urg h VAL 390 Cb 0.48 0.14 -0.02 0.00 -1.52 0.00 0.00 31.29 30.37 1urg h VAL 390 CO 0.10 0.27 0.03 1.56 0.02 0.00 0.00 177.57 179.55 1urg h GLN 391 N 1.15 1.04 0.00 1.57 4.20 -1.22 -1.28 115.11 120.57 1urg h GLN 391 Ca 0.29 -0.31 -0.04 0.00 0.06 0.00 0.00 58.65 58.65 1urg h GLN 391 Cb 0.04 -0.11 -0.01 0.00 0.30 0.00 0.00 27.48 27.71 1urg h GLN 391 CO -0.05 1.00 -0.21 -0.91 -0.67 0.00 0.00 178.83 178.00 1urg h ASN 392 N 0.96 0.00 0.01 1.46 2.35 -0.86 -1.54 115.58 117.95 1urg h ASN 392 Ca 0.18 0.00 -0.08 0.00 -0.55 0.00 0.00 56.30 55.85 1urg h ASN 392 Cb 0.51 0.00 0.01 0.00 0.05 0.00 0.00 38.32 38.89 1urg h ASN 392 CO 0.02 0.21 -0.32 0.40 -1.65 0.00 0.00 177.43 176.09 1urg h ILE 393 N 0.00 1.54 -0.59 2.81 2.04 -0.85 -2.42 117.51 120.04 1urg h ILE 393 Ca -0.00 -2.02 0.00 0.00 1.00 0.00 0.00 64.86 63.84 1urg h ILE 393 Cb 0.60 2.80 -0.03 0.00 -0.74 0.00 0.00 36.82 39.46 1urg h ILE 393 CO 0.03 0.56 0.37 1.56 0.00 0.00 0.00 178.15 180.67 1urg h GLN 394 N -0.46 0.78 -0.09 2.37 4.20 -1.06 -0.66 115.11 120.18 1urg h GLN 394 Ca -0.04 -0.06 -0.02 0.00 0.06 0.00 0.00 58.65 58.59 1urg h GLN 394 Cb 1.09 -0.17 -0.00 0.00 0.30 0.00 0.00 27.48 28.69 1urg h GLN 394 CO 0.06 0.53 -0.03 0.87 -0.67 0.00 0.00 178.83 179.60 1urg h LYS 395 N 0.80 0.19 -0.95 1.46 1.57 -1.34 -1.78 116.57 116.52 1urg h LYS 395 Ca 0.21 -0.08 0.06 0.00 -1.87 0.00 0.00 60.65 58.98 1urg h LYS 395 Cb -0.06 -0.01 -0.06 0.00 0.08 0.00 0.00 32.23 32.18 1urg h LYS 395 CO -0.04 0.52 0.62 0.78 -0.57 0.00 0.00 179.45 180.75 1urg h GLY 396 N -0.16 1.40 1.18 3.86 0.00 -0.90 -0.48 103.07 107.97 1urg h GLY 396 Ca 0.02 -0.45 -0.09 0.00 0.00 0.00 0.00 47.33 46.81 1urg h GLY 396 CO 0.01 0.34 -0.01 -2.22 0.00 0.00 0.00 176.54 174.66 1urg h ILE 397 N 1.12 1.26 -0.46 2.60 2.04 -1.04 -2.40 117.51 120.63 1urg h ILE 397 Ca 0.40 -1.13 -0.06 0.00 1.00 0.00 0.00 64.86 65.07 1urg h ILE 397 Cb 0.14 0.84 -0.02 0.00 -0.74 0.00 0.00 36.82 37.04 1urg h ILE 397 CO -0.15 0.41 0.04 -0.03 0.00 0.00 0.00 178.15 178.42 1urg h MET 398 N 0.90 0.74 -0.72 2.37 4.05 -0.37 -2.45 114.93 119.44 1urg h MET 398 Ca 0.16 -0.17 -0.00 0.00 -0.28 0.00 0.00 59.70 59.41 1urg h MET 398 Cb 0.54 -0.10 -0.04 0.00 -0.80 0.00 0.00 31.60 31.21 1urg h MET 398 CO 0.03 0.72 0.45 0.00 0.23 0.00 0.00 176.91 178.34 1urg h ALA 399 N 1.34 0.92 -2.15 0.39 0.00 -0.65 -3.43 119.26 115.68 1urg h ALA 399 Ca 0.14 -0.08 -0.43 0.00 0.00 0.00 0.00 54.91 54.55 1urg h ALA 399 Cb 0.38 -0.29 0.20 0.00 0.00 0.00 0.00 17.79 18.08 1urg h ALA 399 CO 0.01 0.38 0.02 -0.65 0.00 0.00 0.00 179.25 179.02 1urg s GLN 400 N -6.01 -1.11 -0.30 0.00 -0.21 -0.92 -4.58 119.66 106.53 1urg s GLN 400 Ca -0.13 0.60 -0.06 0.00 0.02 0.00 0.00 55.36 55.78 1urg s GLN 400 Cb 0.15 -1.55 0.01 0.00 1.00 0.00 0.00 33.01 32.61 1urg s GLN 400 CO 0.78 -3.79 0.36 0.41 -2.12 0.00 0.00 175.29 170.93 1urg n GLY 401 N 0.47 -0.98 3.81 3.09 0.00 -1.26 -4.99 105.19 105.33 1urg n GLY 401 Ca 0.05 0.52 0.00 0.00 0.00 0.00 0.00 46.02 46.58 1urg n GLY 401 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06