#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3mug n ALA 3 N 0.00 -3.58 -2.50 -1.46 0.00 -1.26 -5.01 120.51 106.70 3mug n ALA 3 Ca 0.00 -1.40 -0.32 0.00 0.00 0.00 0.00 53.44 51.72 3mug n ALA 3 Cb 0.00 -1.90 -0.05 0.00 0.00 0.00 0.00 19.45 17.50 3mug n ALA 3 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 3mug s LEU 4 N -7.49 4.20 -0.26 0.00 1.43 -0.90 -4.95 118.68 110.71 3mug s LEU 4 Ca 0.69 0.82 -0.11 0.00 -1.03 0.00 0.00 54.13 54.50 3mug s LEU 4 Cb -0.23 -3.56 -0.05 0.00 0.03 0.00 0.00 46.19 42.38 3mug s LEU 4 CO 0.64 -0.03 0.18 0.28 0.23 0.00 0.00 176.35 177.65 3mug s THR 5 N -1.76 5.32 0.09 5.49 -1.32 0.54 -2.70 115.64 121.30 3mug s THR 5 Ca 0.45 0.17 0.08 0.00 -1.21 0.00 0.00 61.69 61.18 3mug s THR 5 Cb -0.12 -3.51 -0.03 0.00 -1.51 0.00 0.00 72.50 67.33 3mug s THR 5 CO 0.22 0.29 -0.20 -1.10 -2.21 0.00 0.00 174.62 171.62 3mug s GLN 6 N 1.47 1.10 0.41 7.08 -0.21 -1.26 -0.30 119.66 127.95 3mug s GLN 6 Ca 0.07 -1.11 -0.25 0.00 0.02 0.00 0.00 55.36 54.09 3mug s GLN 6 Cb -0.15 -1.32 -0.08 0.00 1.00 0.00 0.00 33.01 32.46 3mug s GLN 6 CO 0.08 0.31 1.23 -1.25 -2.12 0.00 0.00 175.29 173.54 3mug s PRO 7 N -1.80 3.98 0.32 2.91 0.04 -1.26 -4.81 135.00 134.37 3mug s PRO 7 Ca 0.05 1.98 0.04 0.00 0.04 0.00 0.00 61.00 63.12 3mug s PRO 7 Cb -0.10 -2.69 0.53 0.00 0.04 0.00 0.00 34.50 32.28 3mug s PRO 7 CO 0.04 -0.43 1.80 0.00 0.04 0.00 0.00 177.00 178.45 3mug h ALA 8 N 2.61 1.25 -3.48 8.56 0.00 -1.96 -3.36 119.26 122.88 3mug h ALA 8 Ca -0.49 -0.28 -0.23 0.00 0.00 0.00 0.00 54.91 53.91 3mug h ALA 8 Cb 1.24 -0.12 -0.29 0.00 0.00 0.00 0.00 17.79 18.62 3mug h ALA 8 CO 0.62 0.49 -0.63 0.45 0.00 0.00 0.00 179.25 180.18 3mug s SER 9 N -6.80 -0.07 -0.03 0.00 0.15 -1.26 -1.28 113.70 104.40 3mug s SER 9 Ca -0.07 0.17 0.01 0.00 0.70 0.00 0.00 55.95 56.76 3mug s SER 9 Cb 0.14 0.14 0.02 0.00 -1.71 0.00 0.00 66.02 64.62 3mug s SER 9 CO 0.77 -0.07 -0.01 -0.69 1.20 0.00 0.00 173.24 174.44 3mug s VAL 11 N 0.41 0.27 0.11 4.45 1.01 -0.56 -4.94 120.40 121.14 3mug s VAL 11 Ca -0.03 0.02 0.00 0.00 0.00 0.00 0.00 61.98 61.97 3mug s VAL 11 Cb -0.04 -0.34 -0.04 0.00 0.00 0.00 0.00 36.38 35.95 3mug s VAL 11 CO -0.02 0.16 -0.01 -0.94 0.00 0.00 0.00 175.10 174.30 3mug s SER 12 N 0.94 0.73 0.05 3.32 1.04 -1.26 -2.06 113.70 116.46 3mug s SER 12 Ca -0.10 -1.09 -0.28 0.00 0.48 0.00 0.00 55.95 54.96 3mug s SER 12 Cb -0.13 0.18 0.09 0.00 0.10 0.00 0.00 66.02 66.26 3mug s SER 12 CO -0.01 -0.60 0.98 -0.83 0.98 0.00 0.00 173.24 173.76 3mug s GLY 13 N -3.03 -0.35 0.46 7.32 0.00 -0.98 -4.99 107.32 105.75 3mug s GLY 13 Ca 0.16 0.62 -0.10 0.00 0.00 0.00 0.00 44.72 45.40 3mug s GLY 13 CO -0.03 0.18 0.83 -0.56 0.00 0.00 0.00 173.10 173.52 3mug s SER 14 N -2.72 6.44 0.23 1.64 0.01 -1.26 -1.04 113.70 117.01 3mug s SER 14 Ca 0.09 1.17 -0.31 0.00 1.31 0.00 0.00 55.95 58.21 3mug s SER 14 Cb -0.01 -2.35 -0.14 0.00 0.21 0.00 0.00 66.02 63.74 3mug s SER 14 CO -0.03 -0.52 1.40 -2.65 0.41 0.00 0.00 173.24 171.85 3mug n PRO 15 N -1.71 1.98 0.00 12.44 -0.02 -1.26 -1.85 135.00 144.58 3mug n PRO 15 Ca 0.03 0.70 0.00 0.00 -2.02 0.00 0.00 63.50 62.21 3mug n PRO 15 Cb 0.54 -2.35 0.00 0.00 -0.02 0.00 0.00 33.50 31.67 3mug n PRO 15 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3mug n GLY 16 N 2.18 3.29 3.69 -1.23 0.00 0.10 -4.86 105.19 108.36 3mug n GLY 16 Ca 0.12 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.85 3mug n GLY 16 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 3mug s GLN 17 N -0.61 0.82 -0.14 1.61 0.74 -0.77 -3.39 119.66 117.91 3mug s GLN 17 Ca 0.00 0.69 -0.00 0.00 0.05 0.00 0.00 55.36 56.10 3mug s GLN 17 Cb 0.00 -1.77 -0.01 0.00 1.10 0.00 0.00 33.01 32.33 3mug s GLN 17 CO 0.00 -2.51 -0.14 0.99 -0.55 0.00 0.00 175.29 173.08 3mug s THR 18 N -2.93 2.90 0.20 -0.34 2.01 -1.26 -1.04 115.64 115.17 3mug s THR 18 Ca 0.64 -0.70 0.10 0.00 0.31 0.00 0.00 61.69 62.04 3mug s THR 18 Cb -0.18 -2.22 -0.04 0.00 0.01 0.00 0.00 72.50 70.06 3mug s THR 18 CO 0.57 0.52 -0.21 0.27 -0.69 0.00 0.00 174.62 175.08 3mug s ILE 19 N 0.59 2.13 -0.02 1.82 -4.36 -0.42 -4.99 121.20 115.96 3mug s ILE 19 Ca -0.08 -2.06 0.03 0.00 -0.26 0.00 0.00 60.65 58.28 3mug s ILE 19 Cb -0.16 -2.04 -0.00 0.00 1.25 0.00 0.00 42.46 41.51 3mug s ILE 19 CO 0.03 -0.27 -0.11 -0.89 0.24 0.00 0.00 174.94 173.94 3mug s THR 20 N -2.03 0.94 -0.19 8.37 2.01 -1.26 -1.04 115.64 122.44 3mug s THR 20 Ca 0.20 -0.48 -0.01 0.00 0.31 0.00 0.00 61.69 61.72 3mug s THR 20 Cb -0.06 -0.80 0.01 0.00 0.01 0.00 0.00 72.50 71.65 3mug s THR 20 CO 0.09 0.27 -0.14 -0.63 -0.69 0.00 0.00 174.62 173.53 3mug s ILE 21 N -0.07 2.61 0.26 1.82 1.01 0.22 -4.97 121.20 122.08 3mug s ILE 21 Ca 0.01 -0.76 -0.04 0.00 0.00 0.00 0.00 60.65 59.86 3mug s ILE 21 Cb -0.07 -2.13 -0.05 0.00 0.01 0.00 0.00 42.46 40.22 3mug s ILE 21 CO 0.00 0.50 0.51 -0.94 0.00 0.00 0.00 174.94 175.01 3mug s SER 22 N 1.22 6.43 -0.31 3.58 1.04 -1.26 -0.73 113.70 123.67 3mug s SER 22 Ca 0.02 0.63 -0.01 0.00 0.48 0.00 0.00 55.95 57.08 3mug s SER 22 Cb -0.14 -2.11 0.13 0.00 0.10 0.00 0.00 66.02 64.00 3mug s SER 22 CO -0.07 -0.15 0.24 0.00 0.98 0.00 0.00 173.24 174.24 3mug s ASN 24 N 1.97 6.58 0.00 0.00 0.01 0.58 -1.06 114.94 123.02 3mug s ASN 24 Ca 0.11 0.69 0.00 0.00 -0.71 0.00 0.00 52.86 52.95 3mug s ASN 24 Cb -0.16 -2.27 0.00 0.00 0.41 0.00 0.00 41.25 39.22 3mug s ASN 24 CO -0.26 -0.09 0.00 0.61 -1.51 0.00 0.00 177.10 175.86 3mug n GLY 25 N 3.66 6.69 0.00 0.66 0.00 0.63 -0.34 105.19 116.49 3mug n GLY 25 Ca -0.06 -1.86 0.00 0.00 0.00 0.00 0.00 46.02 44.10 3mug n GLY 25 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 3mug n THR 26 N 0.00 0.00 0.00 2.61 -2.24 -1.26 -4.83 114.28 108.56 3mug n THR 26 Ca 0.00 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.78 3mug n THR 26 Cb 0.00 0.00 0.00 0.00 -2.10 0.00 0.00 70.33 68.23 3mug n THR 26 CO 0.00 0.00 0.00 -1.54 -0.57 0.00 0.00 175.07 172.96 3mug n SER 27 N 0.00 0.00 0.00 3.42 3.41 -1.26 -1.10 113.62 118.09 3mug n SER 27 Ca 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.61 3mug n SER 27 Cb 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 63.95 3mug n SER 27 CO 0.00 0.00 0.00 -0.90 -0.16 0.00 0.00 175.04 173.98 3mug n ASP 27 N 0.00 0.00 0.04 4.04 5.68 -1.26 -1.70 116.55 123.35 3mug n ASP 27 Ca 0.00 0.00 -0.13 0.00 -0.50 0.00 0.00 54.79 54.16 3mug n ASP 27 Cb 0.00 0.00 -0.09 0.00 -1.14 0.00 0.00 41.12 39.89 3mug n ASP 27 CO 0.00 0.00 0.00 0.58 -1.33 0.00 0.00 177.20 176.45 3mug h VAL 27 N 0.00 1.14 -0.27 2.12 2.07 -1.78 -2.80 116.25 116.74 3mug h VAL 27 Ca 0.00 -0.87 -0.16 0.00 0.82 0.00 0.00 66.70 66.49 3mug h VAL 27 Cb 0.00 1.69 -0.01 0.00 -1.52 0.00 0.00 31.29 31.46 3mug h VAL 27 CO 0.00 0.21 -0.47 1.23 0.02 0.00 0.00 177.57 178.56 3mug h GLY 28 N -0.51 0.78 0.00 2.17 0.00 -1.21 -3.38 103.07 100.92 3mug h GLY 28 Ca -0.01 -0.85 0.00 0.00 0.00 0.00 0.00 47.33 46.47 3mug h GLY 28 CO 0.02 0.76 0.00 0.61 0.00 0.00 0.00 176.54 177.93 3mug n GLY 29 N 0.17 -2.02 0.00 4.60 0.00 -1.24 -4.89 105.19 101.82 3mug n GLY 29 Ca -0.03 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.99 3mug n GLY 29 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 3mug n PHE 30 N -1.69 0.00 -2.20 1.61 3.72 -1.05 -4.97 117.46 112.88 3mug n PHE 30 Ca 0.00 0.00 -0.03 0.00 -0.05 0.00 0.00 57.45 57.37 3mug n PHE 30 Cb 0.00 0.00 -0.03 0.00 -0.94 0.00 0.00 39.48 38.51 3mug n PHE 30 CO 0.00 0.00 0.00 -3.47 -0.05 0.00 0.00 176.76 173.24 3mug n ASP 31 N 0.00 -0.20 -3.47 4.37 2.03 -1.26 -4.83 116.55 113.19 3mug n ASP 31 Ca 0.00 -1.99 -0.33 0.00 0.52 0.00 0.00 54.79 52.99 3mug n ASP 31 Cb 0.00 0.06 -0.03 0.00 -0.72 0.00 0.00 41.12 40.42 3mug n ASP 31 CO 0.00 0.00 0.00 -1.20 -1.92 0.00 0.00 177.20 174.08 3mug n SER 32 N 0.20 5.14 -4.68 1.67 7.64 -1.26 -3.60 113.62 118.72 3mug n SER 32 Ca -0.14 -3.54 -0.37 0.00 1.01 0.00 0.00 58.87 55.82 3mug n SER 32 Cb 0.88 -0.86 -0.08 0.00 -1.01 0.00 0.00 64.21 63.14 3mug n SER 32 CO 0.00 0.00 0.00 -0.69 -3.01 0.00 0.00 175.04 171.34 3mug s VAL 33 N -3.34 5.26 0.14 0.44 1.01 -1.26 -3.53 120.40 119.11 3mug s VAL 33 Ca 0.40 0.57 0.09 0.00 0.00 0.00 0.00 61.98 63.04 3mug s VAL 33 Cb 0.16 -3.66 -0.04 0.00 0.00 0.00 0.00 36.38 32.84 3mug s VAL 33 CO -0.03 0.30 -0.21 -0.94 0.00 0.00 0.00 175.10 174.22 3mug s SER 34 N 0.90 2.77 -0.03 3.32 1.04 -0.47 -1.53 113.70 119.70 3mug s SER 34 Ca 0.16 -0.78 0.07 0.00 0.48 0.00 0.00 55.95 55.87 3mug s SER 34 Cb -0.14 -0.17 -0.01 0.00 0.10 0.00 0.00 66.02 65.80 3mug s SER 34 CO 0.06 0.04 -0.23 0.26 0.98 0.00 0.00 173.24 174.36 3mug s TRP 35 N -1.56 2.09 -0.04 5.02 0.52 0.07 -0.46 118.94 124.59 3mug s TRP 35 Ca 0.12 -0.47 0.04 0.00 0.02 0.00 0.00 56.10 55.82 3mug s TRP 35 Cb -0.08 -1.36 -0.01 0.00 -1.15 0.00 0.00 33.47 30.88 3mug s TRP 35 CO 0.06 -0.09 -0.17 0.71 0.02 0.00 0.00 176.95 177.48 3mug s TYR 36 N -0.39 1.68 -0.13 -1.98 1.51 0.09 -0.58 117.35 117.55 3mug s TYR 36 Ca 0.05 -0.45 -0.04 0.00 -1.01 0.00 0.00 57.07 55.61 3mug s TYR 36 Cb -0.10 -1.13 -0.03 0.00 -0.11 0.00 0.00 41.96 40.59 3mug s TYR 36 CO 0.00 -0.14 0.02 -1.14 -1.11 0.00 0.00 175.55 173.18 3mug s GLN 37 N -0.05 3.47 -0.23 -0.62 0.74 -0.01 -0.61 119.66 122.35 3mug s GLN 37 Ca -0.02 -0.40 -0.00 0.00 0.05 0.00 0.00 55.36 54.99 3mug s GLN 37 Cb -0.11 -2.96 0.06 0.00 1.10 0.00 0.00 33.01 31.10 3mug s GLN 37 CO 0.02 0.47 -0.03 -1.14 -0.55 0.00 0.00 175.29 174.05 3mug s GLN 38 N -0.22 1.38 0.26 1.67 0.74 0.84 -1.20 119.66 123.13 3mug s GLN 38 Ca 0.06 -0.86 -0.14 0.00 0.05 0.00 0.00 55.36 54.47 3mug s GLN 38 Cb -0.12 -2.47 -0.08 0.00 1.10 0.00 0.00 33.01 31.43 3mug s GLN 38 CO 0.02 -0.62 0.66 -1.12 -0.55 0.00 0.00 175.29 173.68 3mug s SER 39 N 1.50 6.78 0.11 6.67 0.01 -1.26 -1.32 113.70 126.20 3mug s SER 39 Ca -0.04 1.17 -0.32 0.00 1.31 0.00 0.00 55.95 58.07 3mug s SER 39 Cb -0.18 -2.33 -0.12 0.00 0.21 0.00 0.00 66.02 63.60 3mug s SER 39 CO -0.07 -0.10 1.79 -0.81 0.41 0.00 0.00 173.24 174.47 3mug n PRO 40 N -0.00 2.60 -0.97 12.44 -0.04 -1.26 -1.16 135.00 146.60 3mug n PRO 40 Ca 0.01 0.94 0.00 0.00 -0.04 0.00 0.00 63.50 64.41 3mug n PRO 40 Cb 0.52 -2.81 0.00 0.00 -0.04 0.00 0.00 33.50 31.18 3mug n PRO 40 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 3mug n GLY 41 N 4.09 0.49 3.59 0.55 0.00 -1.26 -5.02 105.19 107.63 3mug n GLY 41 Ca 0.18 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.92 3mug n GLY 41 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3mug s LYS 42 N -0.38 2.14 0.57 1.61 -2.85 -0.31 -5.13 119.74 115.39 3mug s LYS 42 Ca 0.00 -1.12 -0.19 0.00 -1.00 0.00 0.00 55.97 53.66 3mug s LYS 42 Cb 0.00 -2.27 -0.05 0.00 -2.06 0.00 0.00 37.83 33.46 3mug s LYS 42 CO 0.00 0.48 1.17 0.00 0.10 0.00 0.00 175.35 177.09 3mug s ALA 43 N -1.45 2.62 0.73 0.59 0.00 -1.26 -4.44 121.76 118.54 3mug s ALA 43 Ca 0.23 0.91 -0.14 0.00 0.00 0.00 0.00 51.96 52.96 3mug s ALA 43 Cb -0.10 -3.40 0.04 0.00 0.00 0.00 0.00 23.12 19.65 3mug s ALA 43 CO 0.15 -0.96 1.16 -2.14 0.00 0.00 0.00 175.76 173.97 3mug s PRO 44 N -3.31 2.27 -0.01 0.00 0.02 -1.26 -4.70 135.00 128.00 3mug s PRO 44 Ca 0.75 1.57 0.01 0.00 0.02 0.00 0.00 61.00 63.35 3mug s PRO 44 Cb -0.27 -1.87 0.00 0.00 0.02 0.00 0.00 34.50 32.39 3mug s PRO 44 CO 0.30 -1.70 -0.03 0.15 -0.33 0.00 0.00 177.00 175.39 3mug s LYS 45 N -4.11 0.32 0.17 5.54 1.02 -0.34 -4.94 119.74 117.40 3mug s LYS 45 Ca 0.70 -0.10 -0.31 0.00 0.02 0.00 0.00 55.97 56.28 3mug s LYS 45 Cb -0.25 -0.34 -0.09 0.00 -0.52 0.00 0.00 37.83 36.63 3mug s LYS 45 CO 0.46 0.04 1.48 0.14 -0.92 0.00 0.00 175.35 176.55 3mug s VAL 46 N 0.12 2.83 -0.16 3.17 -7.23 -1.26 -0.83 120.40 117.04 3mug s VAL 46 Ca -0.01 0.62 -0.02 0.00 -1.81 0.00 0.00 61.98 60.77 3mug s VAL 46 Cb -0.04 -3.40 -0.09 0.00 0.56 0.00 0.00 36.38 33.41 3mug s VAL 46 CO -0.00 0.06 -0.16 0.23 -0.31 0.00 0.00 175.10 174.92 3mug n MET 47 N 3.50 0.37 -3.90 4.82 2.81 0.26 -4.84 117.12 120.13 3mug n MET 47 Ca 0.11 0.11 -0.11 0.00 -1.81 0.00 0.00 57.70 56.00 3mug n MET 47 Cb 0.40 -1.24 -0.10 0.00 -0.71 0.00 0.00 33.22 31.57 3mug n MET 47 CO 0.00 0.00 0.00 0.08 1.51 0.00 0.00 175.97 177.56 3mug s VAL 48 N -2.30 0.09 0.07 2.03 1.01 -1.21 -4.20 120.40 115.89 3mug s VAL 48 Ca -0.21 -0.73 -0.08 0.00 0.00 0.00 0.00 61.98 60.96 3mug s VAL 48 Cb 0.06 -0.37 -0.00 0.00 0.00 0.00 0.00 36.38 36.07 3mug s VAL 48 CO 0.33 -0.40 0.17 0.72 0.00 0.00 0.00 175.10 175.92 3mug s PHE 49 N -1.35 0.16 -1.47 5.22 -0.12 0.41 -0.75 117.98 120.07 3mug s PHE 49 Ca -0.15 -0.54 -0.03 0.00 -0.05 0.00 0.00 56.93 56.16 3mug s PHE 49 Cb -0.08 -0.08 0.03 0.00 -0.63 0.00 0.00 43.02 42.26 3mug s PHE 49 CO 0.01 -0.50 0.43 -0.25 -0.05 0.00 0.00 175.22 174.86 3mug n ASP 50 N 0.14 -0.67 0.00 1.98 9.92 -0.90 -1.57 116.55 125.46 3mug n ASP 50 Ca -0.16 -1.04 0.00 0.00 -0.53 0.00 0.00 54.79 53.06 3mug n ASP 50 Cb 0.61 -2.85 0.00 0.00 -0.64 0.00 0.00 41.12 38.24 3mug n ASP 50 CO 0.00 0.00 0.00 0.52 0.13 0.00 0.00 177.20 177.85 3mug n VAL 51 N -4.42 0.00 0.39 2.53 0.31 -0.58 -3.97 118.33 112.58 3mug n VAL 51 Ca -0.25 0.00 0.04 0.00 -0.01 0.00 0.00 64.34 64.12 3mug n VAL 51 Cb 0.66 0.00 -0.04 0.00 -0.91 0.00 0.00 33.84 33.54 3mug n VAL 51 CO 0.00 0.00 0.00 -1.20 -1.32 0.00 0.00 176.83 174.31 3mug n SER 52 N 2.52 0.45 -4.74 4.52 7.64 -1.24 -3.68 113.62 119.09 3mug n SER 52 Ca 0.00 -0.73 -0.41 0.00 1.01 0.00 0.00 58.87 58.75 3mug n SER 52 Cb 0.00 0.95 -0.05 0.00 -1.01 0.00 0.00 64.21 64.10 3mug n SER 52 CO 0.00 0.00 0.00 -1.00 -3.01 0.00 0.00 175.04 171.03 3mug s HIS 53 N -1.72 3.78 -0.14 1.43 4.02 -0.61 -4.43 115.29 117.62 3mug s HIS 53 Ca 0.03 1.77 -0.05 0.00 1.02 0.00 0.00 55.06 57.83 3mug s HIS 53 Cb 0.06 -3.12 -0.04 0.00 -1.02 0.00 0.00 32.58 28.46 3mug s HIS 53 CO 0.32 -0.03 0.05 1.03 1.02 0.00 0.00 174.74 177.13 3mug s ARG 54 N -0.69 3.60 0.98 1.40 0.52 -1.26 -0.44 118.95 123.05 3mug s ARG 54 Ca 0.45 -0.34 -0.12 0.00 -0.52 0.00 0.00 55.73 55.20 3mug s ARG 54 Cb -0.27 -3.07 0.18 0.00 0.52 0.00 0.00 34.95 32.31 3mug s ARG 54 CO 0.33 0.47 1.09 -2.14 0.02 0.00 0.00 175.30 175.07 3mug s PRO 55 N -0.19 0.59 0.25 3.54 0.02 -1.26 -4.94 135.00 133.01 3mug s PRO 55 Ca 0.07 0.66 -0.30 0.00 0.02 0.00 0.00 61.00 61.45 3mug s PRO 55 Cb -0.12 -1.74 -0.10 0.00 0.02 0.00 0.00 34.50 32.56 3mug s PRO 55 CO 0.01 -2.65 1.40 -1.12 -0.33 0.00 0.00 177.00 174.31 3mug s SER 56 N -3.36 6.72 0.00 2.53 0.01 -1.26 -2.72 113.70 115.62 3mug s SER 56 Ca 0.65 2.61 0.00 0.00 1.31 0.00 0.00 55.95 60.52 3mug s SER 56 Cb -0.19 -2.62 0.00 0.00 0.21 0.00 0.00 66.02 63.42 3mug s SER 56 CO 0.58 -0.65 0.00 0.61 0.41 0.00 0.00 173.24 174.19 3mug n GLY 57 N 2.11 0.97 3.69 3.44 0.00 -1.26 -5.05 105.19 109.09 3mug n GLY 57 Ca 0.06 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.68 3mug n GLY 57 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3mug s ILE 58 N -2.31 5.02 0.38 -0.61 1.09 -1.10 -5.03 121.20 118.63 3mug s ILE 58 Ca 0.00 1.38 -0.25 0.00 -1.10 0.00 0.00 60.65 60.68 3mug s ILE 58 Cb 0.00 -4.02 -0.12 0.00 -1.06 0.00 0.00 42.46 37.27 3mug s ILE 58 CO 0.00 0.17 1.00 -0.24 -0.10 0.00 0.00 174.94 175.78 3mug n SER 59 N 4.40 1.26 0.02 3.58 2.88 -1.26 -4.90 113.62 119.60 3mug n SER 59 Ca -0.01 1.07 0.06 0.00 -1.33 0.00 0.00 58.87 58.66 3mug n SER 59 Cb 0.50 -1.33 0.25 0.00 -0.75 0.00 0.00 64.21 62.88 3mug n SER 59 CO 0.00 0.00 0.00 0.59 -1.23 0.00 0.00 175.04 174.40 3mug n ASN 60 N 0.74 0.10 0.26 -3.46 4.13 -1.26 -2.57 115.26 113.19 3mug n ASN 60 Ca 0.09 0.53 0.15 0.00 1.68 0.00 0.00 54.58 57.03 3mug n ASN 60 Cb 0.37 -0.55 0.57 0.00 -1.54 0.00 0.00 39.78 38.63 3mug n ASN 60 CO 0.00 0.00 0.00 0.03 0.28 0.00 0.00 177.26 177.57 3mug h ARG 61 N 0.00 0.00 -5.14 3.52 3.08 -1.90 -3.41 114.38 110.53 3mug h ARG 61 Ca 0.00 0.00 -0.67 0.00 0.07 0.00 0.00 59.98 59.38 3mug h ARG 61 Cb 0.17 0.00 -0.17 0.00 0.08 0.00 0.00 29.97 30.06 3mug h ARG 61 CO 0.00 0.05 -0.06 -0.06 -1.07 0.00 0.00 179.97 178.83 3mug s PHE 62 N -3.61 3.14 0.12 3.04 0.08 -1.06 -0.81 117.98 118.88 3mug s PHE 62 Ca 0.02 -0.12 0.05 0.00 0.12 0.00 0.00 56.93 57.00 3mug s PHE 62 Cb 0.09 -3.04 -0.04 0.00 -0.57 0.00 0.00 43.02 39.45 3mug s PHE 62 CO 0.58 -0.71 0.02 -1.12 -0.10 0.00 0.00 175.22 173.89 3mug s SER 63 N 1.86 5.03 -0.08 1.36 0.01 0.03 -4.97 113.70 116.94 3mug s SER 63 Ca 0.17 -0.22 0.02 0.00 1.31 0.00 0.00 55.95 57.23 3mug s SER 63 Cb -0.16 -1.19 0.01 0.00 0.21 0.00 0.00 66.02 64.90 3mug s SER 63 CO 0.15 0.14 -0.12 -0.83 0.41 0.00 0.00 173.24 172.99 3mug s GLY 64 N -2.54 0.84 0.05 3.44 0.00 -1.26 -1.93 107.32 105.91 3mug s GLY 64 Ca 0.27 -0.48 -0.02 0.00 0.00 0.00 0.00 44.72 44.49 3mug s GLY 64 CO 0.19 0.19 -0.00 -0.45 0.00 0.00 0.00 173.10 173.03 3mug s SER 65 N 0.80 0.42 -0.08 1.64 0.15 -0.42 -4.07 113.70 112.14 3mug s SER 65 Ca -0.12 -0.91 -0.08 0.00 0.70 0.00 0.00 55.95 55.55 3mug s SER 65 Cb -0.15 0.21 0.02 0.00 -1.71 0.00 0.00 66.02 64.39 3mug s SER 65 CO 0.02 -0.59 0.22 -0.75 1.20 0.00 0.00 173.24 173.34 3mug s LYS 66 N -3.69 0.26 -0.23 5.44 2.20 -1.26 0.12 119.74 122.58 3mug s LYS 66 Ca 0.05 0.31 -0.03 0.00 -0.36 0.00 0.00 55.97 55.94 3mug s LYS 66 Cb 0.06 0.12 0.10 0.00 -1.51 0.00 0.00 37.83 36.61 3mug s LYS 66 CO -0.09 -0.03 0.23 -1.54 -0.36 0.00 0.00 175.35 173.56 3mug s SER 67 N 0.13 1.61 1.78 1.43 1.04 0.42 -5.00 113.70 115.10 3mug s SER 67 Ca -0.00 -0.42 0.00 0.00 0.48 0.00 0.00 55.95 56.00 3mug s SER 67 Cb -0.02 0.36 0.00 0.00 0.10 0.00 0.00 66.02 66.46 3mug s SER 67 CO 0.00 -0.35 0.00 0.61 0.98 0.00 0.00 173.24 174.48 3mug n GLY 68 N 5.31 3.54 0.91 7.32 0.00 -1.26 -1.68 105.19 119.33 3mug n GLY 68 Ca -0.05 0.06 0.09 0.00 0.00 0.00 0.00 46.02 46.12 3mug n GLY 68 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 3mug n ASN 69 N 9.40 2.67 -4.30 1.61 3.02 -1.26 -3.81 115.26 122.58 3mug n ASN 69 Ca 0.00 -1.94 -0.32 0.00 -0.03 0.00 0.00 54.58 52.28 3mug n ASN 69 Cb 0.00 -0.28 -0.16 0.00 -0.61 0.00 0.00 39.78 38.73 3mug n ASN 69 CO 0.00 0.00 0.00 -0.89 -2.62 0.00 0.00 177.26 173.75 3mug s THR 70 N -1.43 2.56 0.10 3.41 2.01 -0.68 -0.27 115.64 121.34 3mug s THR 70 Ca 0.35 -0.85 0.07 0.00 0.31 0.00 0.00 61.69 61.57 3mug s THR 70 Cb 0.19 -2.02 -0.04 0.00 0.01 0.00 0.00 72.50 70.63 3mug s THR 70 CO 0.25 0.55 -0.10 0.00 -0.69 0.00 0.00 174.62 174.63 3mug s ALA 71 N 0.25 2.96 0.00 7.40 0.00 -0.22 -0.44 121.76 131.70 3mug s ALA 71 Ca -0.13 -1.23 0.02 0.00 0.00 0.00 0.00 51.96 50.62 3mug s ALA 71 Cb -0.16 -0.90 -0.01 0.00 0.00 0.00 0.00 23.12 22.04 3mug s ALA 71 CO 0.07 0.64 -0.08 -1.12 0.00 0.00 0.00 175.76 175.27 3mug s SER 72 N -2.17 0.88 -0.18 0.00 0.01 0.12 -0.23 113.70 112.13 3mug s SER 72 Ca 0.21 -0.18 -0.01 0.00 1.31 0.00 0.00 55.95 57.28 3mug s SER 72 Cb -0.11 -0.08 0.00 0.00 0.21 0.00 0.00 66.02 66.04 3mug s SER 72 CO 0.13 0.06 -0.13 -0.22 0.41 0.00 0.00 173.24 173.49 3mug s LEU 73 N -0.34 2.49 -0.13 2.44 2.96 0.09 -1.30 118.68 124.89 3mug s LEU 73 Ca 0.02 -0.51 -0.02 0.00 -0.22 0.00 0.00 54.13 53.40 3mug s LEU 73 Cb -0.04 -1.59 -0.03 0.00 0.50 0.00 0.00 46.19 45.04 3mug s LEU 73 CO -0.00 0.02 -0.05 -0.89 -1.32 0.00 0.00 176.35 174.11 3mug s THR 74 N 1.19 3.84 -0.26 3.68 2.01 -0.81 -0.61 115.64 124.68 3mug s THR 74 Ca 0.02 -0.39 0.00 0.00 0.31 0.00 0.00 61.69 61.63 3mug s THR 74 Cb -0.14 -2.65 0.04 0.00 0.01 0.00 0.00 72.50 69.77 3mug s THR 74 CO -0.06 0.53 -0.08 -0.63 -0.69 0.00 0.00 174.62 173.70 3mug s ILE 75 N -0.04 2.55 0.20 1.82 1.01 -0.20 -0.79 121.20 125.75 3mug s ILE 75 Ca 0.01 -1.34 -0.02 0.00 0.00 0.00 0.00 60.65 59.30 3mug s ILE 75 Cb -0.13 -2.39 -0.05 0.00 0.01 0.00 0.00 42.46 39.90 3mug s ILE 75 CO 0.03 0.07 0.41 -0.94 0.00 0.00 0.00 174.94 174.51 3mug s SER 76 N 1.22 6.41 -1.25 3.58 1.04 0.01 -1.30 113.70 123.41 3mug s SER 76 Ca -0.04 0.47 -0.10 0.00 0.48 0.00 0.00 55.95 56.76 3mug s SER 76 Cb -0.18 -2.04 -0.01 0.00 0.10 0.00 0.00 66.02 63.89 3mug s SER 76 CO -0.05 -0.05 0.67 0.61 0.98 0.00 0.00 173.24 175.41 3mug n GLY 77 N -0.58 -0.63 3.57 7.32 0.00 -1.03 -4.80 105.19 109.04 3mug n GLY 77 Ca -0.04 0.30 -0.59 0.00 0.00 0.00 0.00 46.02 45.69 3mug n GLY 77 CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22 3mug n LEU 78 N -4.22 0.58 -4.33 0.99 0.00 -0.21 -4.41 117.00 105.40 3mug n LEU 78 Ca -0.20 1.15 -0.27 0.00 0.00 0.00 0.00 56.01 56.69 3mug n LEU 78 Cb 0.64 -0.97 -0.13 0.00 0.00 0.00 0.00 43.42 42.96 3mug n LEU 78 CO 0.69 -1.52 -0.55 -2.28 0.00 0.00 0.00 177.39 173.74 3mug s HIS 79 N 0.75 2.10 0.61 1.96 5.65 -1.26 -0.73 115.29 124.37 3mug s HIS 79 Ca 0.93 -0.40 0.32 0.00 0.25 0.00 0.00 55.06 56.16 3mug s HIS 79 Cb -1.25 -1.17 1.85 0.00 -1.18 0.00 0.00 32.58 30.83 3mug s HIS 79 CO 0.60 0.23 2.18 -0.84 -0.65 0.00 0.00 174.74 176.27 3mug h ILE 80 N 4.05 0.36 0.00 0.89 -0.00 -1.94 0.30 117.51 121.17 3mug h ILE 80 Ca -0.48 0.00 0.00 0.00 -0.00 0.00 0.00 64.86 64.38 3mug h ILE 80 Cb 1.17 0.90 0.00 0.00 -0.00 0.00 0.00 36.82 38.89 3mug h ILE 80 CO 0.40 0.00 0.00 -1.84 -0.00 0.00 0.00 178.15 176.71 3mug n GLU 81 N -3.60 0.61 0.03 0.16 0.28 -1.26 -2.89 120.64 113.97 3mug n GLU 81 Ca -0.01 0.02 0.12 0.00 -0.16 0.00 0.00 57.16 57.13 3mug n GLU 81 Cb 0.21 -1.50 0.21 0.00 1.43 0.00 0.00 31.44 31.79 3mug n GLU 81 CO 0.00 0.00 0.00 -0.25 -0.16 0.00 0.00 177.13 176.72 3mug n ASP 82 N -1.15 0.58 -4.71 -1.84 8.00 0.09 -4.93 116.55 112.60 3mug n ASP 82 Ca 0.16 -0.06 -0.43 0.00 0.71 0.00 0.00 54.79 55.17 3mug n ASP 82 Cb 0.16 0.24 -0.03 0.00 -0.02 0.00 0.00 41.12 41.46 3mug n ASP 82 CO 0.00 0.00 0.00 -0.62 -0.39 0.00 0.00 177.20 176.19 3mug n GLU 83 N -1.80 2.51 -3.21 -1.24 1.02 -1.14 -4.88 120.64 111.90 3mug n GLU 83 Ca 0.04 0.90 0.00 0.00 -0.02 0.00 0.00 57.16 58.08 3mug n GLU 83 Cb 0.39 -2.69 0.00 0.00 -0.02 0.00 0.00 31.44 29.12 3mug n GLU 83 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 3mug n GLY 84 N 3.20 -1.10 3.76 0.62 0.00 -1.07 -4.74 105.19 105.86 3mug n GLY 84 Ca 0.14 -1.38 -0.36 0.00 0.00 0.00 0.00 46.02 44.43 3mug n GLY 84 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 3mug s ASP 85 N -3.40 6.30 -0.14 1.61 -0.00 -0.43 -0.40 116.67 120.21 3mug s ASP 85 Ca 0.00 0.34 -0.01 0.00 -0.00 0.00 0.00 52.55 52.88 3mug s ASP 85 Cb 0.00 -2.11 -0.01 0.00 -0.00 0.00 0.00 42.92 40.80 3mug s ASP 85 CO 0.00 0.22 -0.11 -0.31 -0.00 0.00 0.00 175.17 174.96 3mug s TYR 86 N 0.06 2.85 -0.09 4.23 2.02 -0.00 -0.11 117.35 126.31 3mug s TYR 86 Ca 0.11 -0.66 0.04 0.00 -0.37 0.00 0.00 57.07 56.19 3mug s TYR 86 Cb -0.12 -1.89 0.00 0.00 -0.40 0.00 0.00 41.96 39.56 3mug s TYR 86 CO 0.01 -0.24 -0.22 -0.06 -1.57 0.00 0.00 175.55 173.46 3mug s PHE 87 N 0.50 2.36 0.06 2.71 0.08 0.22 -1.45 117.98 122.46 3mug s PHE 87 Ca -0.08 -0.94 -0.08 0.00 0.12 0.00 0.00 56.93 55.94 3mug s PHE 87 Cb -0.15 -1.59 -0.05 0.00 -0.57 0.00 0.00 43.02 40.65 3mug s PHE 87 CO 0.04 -0.39 0.35 0.00 -0.10 0.00 0.00 175.22 175.13 3mug s SER 89 N -1.82 0.97 0.03 0.00 0.15 0.40 0.58 113.70 114.01 3mug s SER 89 Ca 0.32 -0.61 -0.09 0.00 0.70 0.00 0.00 55.95 56.27 3mug s SER 89 Cb -0.13 0.03 0.00 0.00 -1.71 0.00 0.00 66.02 64.21 3mug s SER 89 CO 0.18 -0.22 0.17 -0.55 1.20 0.00 0.00 173.24 174.02 3mug s SER 90 N -1.78 0.04 0.29 5.45 0.15 0.28 -1.37 113.70 116.75 3mug s SER 90 Ca -0.06 -0.32 -0.28 0.00 0.70 0.00 0.00 55.95 55.98 3mug s SER 90 Cb -0.08 0.26 -0.09 0.00 -1.71 0.00 0.00 66.02 64.40 3mug s SER 90 CO -0.00 -0.50 1.00 -0.22 1.20 0.00 0.00 173.24 174.72 3mug s LEU 91 N -1.87 4.48 0.19 3.45 2.96 -1.23 -0.54 118.68 126.11 3mug s LEU 91 Ca -0.08 2.02 0.05 0.00 -0.22 0.00 0.00 54.13 55.90 3mug s LEU 91 Cb -0.03 -3.79 -0.04 0.00 0.50 0.00 0.00 46.19 42.84 3mug s LEU 91 CO -0.02 -0.06 0.19 -0.89 -1.32 0.00 0.00 176.35 174.26 3mug s THR 92 N -1.34 4.69 -1.08 3.68 2.01 -0.22 -4.30 115.64 119.08 3mug s THR 92 Ca 0.46 -1.07 0.07 0.00 0.31 0.00 0.00 61.69 61.46 3mug s THR 92 Cb -0.25 -3.44 0.07 0.00 0.01 0.00 0.00 72.50 68.88 3mug s THR 92 CO 0.32 -0.18 1.19 -0.90 -0.69 0.00 0.00 174.62 174.37 3mug n ASP 93 N -0.65 0.00 -0.80 3.53 5.75 -0.69 -1.49 116.55 122.21 3mug n ASP 93 Ca -0.08 0.44 0.11 0.00 -0.01 0.00 0.00 54.79 55.25 3mug n ASP 93 Cb 0.55 -0.46 0.07 0.00 -1.03 0.00 0.00 41.12 40.25 3mug n ASP 93 CO 0.00 0.00 0.00 0.54 -0.11 0.00 0.00 177.20 177.63 3mug n ARG 94 N -1.46 1.93 -1.05 0.11 1.74 -1.26 -4.97 116.66 111.69 3mug n ARG 94 Ca 0.02 -1.63 0.00 0.00 -0.77 0.00 0.00 57.85 55.47 3mug n ARG 94 Cb 0.08 -1.43 0.00 0.00 -1.02 0.00 0.00 32.46 30.08 3mug n ARG 94 CO 0.00 0.00 0.00 0.43 -1.52 0.00 0.00 177.63 176.54 3mug n SER 95 N 0.95 -2.78 -4.71 0.55 7.64 -0.55 -5.08 113.62 109.64 3mug n SER 95 Ca 0.12 0.00 -0.24 0.00 1.01 0.00 0.00 58.87 59.76 3mug n SER 95 Cb 0.53 -0.49 0.10 0.00 -1.01 0.00 0.00 64.21 63.34 3mug n SER 95 CO 0.00 0.00 0.00 -1.00 -3.01 0.00 0.00 175.04 171.03 3mug s HIS 95 N -2.00 1.93 -0.06 1.43 3.76 -1.26 -4.85 115.29 114.24 3mug s HIS 95 Ca 0.00 -0.11 0.05 0.00 -0.15 0.00 0.00 55.06 54.84 3mug s HIS 95 Cb 0.00 -3.06 -0.00 0.00 1.11 0.00 0.00 32.58 30.62 3mug s HIS 95 CO 0.00 -1.62 -0.20 1.03 -0.85 0.00 0.00 174.74 173.10 3mug s ARG 96 N -5.15 2.23 -0.08 1.40 1.81 -1.26 -1.05 118.95 116.84 3mug s ARG 96 Ca 0.65 -0.73 0.04 0.00 -1.72 0.00 0.00 55.73 53.97 3mug s ARG 96 Cb -0.07 -1.86 -0.01 0.00 -0.45 0.00 0.00 34.95 32.57 3mug s ARG 96 CO 0.44 0.26 -0.21 0.42 -0.68 0.00 0.00 175.30 175.53 3mug s ILE 97 N 0.09 2.39 0.18 1.52 -1.09 0.30 -4.97 121.20 119.62 3mug s ILE 97 Ca -0.07 -0.92 0.05 0.00 -2.23 0.00 0.00 60.65 57.47 3mug s ILE 97 Cb -0.14 -1.92 -0.04 0.00 -1.58 0.00 0.00 42.46 38.78 3mug s ILE 97 CO 0.04 0.56 0.16 -0.36 -1.23 0.00 0.00 174.94 174.11 3mug s PHE 98 N 0.03 3.17 0.79 3.97 0.08 -1.26 -0.55 117.98 124.21 3mug s PHE 98 Ca -0.08 -0.02 -0.10 0.00 0.12 0.00 0.00 56.93 56.84 3mug s PHE 98 Cb -0.15 -1.50 0.09 0.00 -0.57 0.00 0.00 43.02 40.89 3mug s PHE 98 CO 0.05 0.52 1.14 0.20 -0.10 0.00 0.00 175.22 177.03 3mug s GLY 99 N -3.25 1.65 0.41 4.36 0.00 0.20 -2.11 107.32 108.57 3mug s GLY 99 Ca 0.32 -0.85 0.21 0.00 0.00 0.00 0.00 44.72 44.40 3mug s GLY 99 CO 0.24 -0.35 1.79 -1.33 0.00 0.00 0.00 173.10 173.45 3mug h GLY 100 N -0.98 0.00 0.00 0.20 0.00 -1.84 -3.44 103.07 97.01 3mug h GLY 100 Ca -0.45 0.00 0.00 0.00 0.00 0.00 0.00 47.33 46.88 3mug h GLY 100 CO 0.59 0.00 0.00 0.61 0.00 0.00 0.00 176.54 177.74 3mug n GLY 101 N 0.15 2.48 2.94 4.60 0.00 -1.26 -5.05 105.19 109.04 3mug n GLY 101 Ca -0.00 -1.75 -0.25 0.00 0.00 0.00 0.00 46.02 44.02 3mug n GLY 101 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3mug s THR 102 N -2.06 0.95 -0.18 2.61 2.01 -0.52 -4.40 115.64 114.04 3mug s THR 102 Ca 0.00 -0.31 -0.26 0.00 0.31 0.00 0.00 61.69 61.43 3mug s THR 102 Cb 0.00 -0.93 -0.01 0.00 0.01 0.00 0.00 72.50 71.57 3mug s THR 102 CO 0.00 0.33 0.88 -1.59 -0.69 0.00 0.00 174.62 173.55 3mug s LYS 103 N 1.17 4.29 -0.28 4.92 0.00 -0.41 -0.82 119.74 128.61 3mug s LYS 103 Ca -0.06 1.09 -0.11 0.00 0.00 0.00 0.00 55.97 56.90 3mug s LYS 103 Cb -0.14 -3.59 -0.04 0.00 0.00 0.00 0.00 37.83 34.06 3mug s LYS 103 CO -0.02 -0.39 0.17 0.08 0.00 0.00 0.00 175.35 175.20 3mug s VAL 104 N 2.35 5.09 -0.11 1.79 1.01 0.47 -1.50 120.40 129.49 3mug s VAL 104 Ca 0.40 0.02 0.01 0.00 0.00 0.00 0.00 61.98 62.40 3mug s VAL 104 Cb -0.16 -3.45 -0.02 0.00 0.00 0.00 0.00 36.38 32.74 3mug s VAL 104 CO 0.12 0.22 -0.13 -0.89 0.00 0.00 0.00 175.10 174.42 3mug s THR 105 N 1.72 3.13 -0.51 3.92 2.01 -0.87 -2.60 115.64 122.44 3mug s THR 105 Ca 0.07 -0.65 -0.10 0.00 0.31 0.00 0.00 61.69 61.31 3mug s THR 105 Cb -0.16 -2.30 0.13 0.00 0.01 0.00 0.00 72.50 70.18 3mug s THR 105 CO 0.09 0.54 0.40 -0.69 -0.69 0.00 0.00 174.62 174.27 3mug s VAL 106 N 0.04 4.41 -0.31 3.82 1.01 -1.26 -2.33 120.40 125.79 3mug s VAL 106 Ca -0.04 -1.84 -0.39 0.00 0.00 0.00 0.00 61.98 59.72 3mug s VAL 106 Cb -0.14 -3.88 -0.14 0.00 0.00 0.00 0.00 36.38 32.21 3mug s VAL 106 CO 0.04 -0.81 1.93 0.18 0.00 0.00 0.00 175.10 176.44 3mug n LEU 106 N 4.85 2.26 -0.25 3.92 4.77 -0.21 -4.88 117.00 127.46 3mug n LEU 106 Ca -0.07 0.83 0.03 0.00 -0.03 0.00 0.00 56.01 56.77 3mug n LEU 106 Cb 0.41 -1.18 0.02 0.00 -2.33 0.00 0.00 43.42 40.35 3mug n LEU 106 CO 0.44 -0.52 0.33 0.61 -1.33 0.00 0.00 177.39 176.92 3mug n GLY 107 N 5.23 -0.74 3.68 -0.72 0.00 -1.26 -4.58 105.19 106.80 3mug n GLY 107 Ca 0.33 -0.19 -0.09 0.00 0.00 0.00 0.00 46.02 46.07 3mug n GLY 107 CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 3mug s GLN 108 N -0.61 1.57 0.44 1.61 -2.07 -1.26 -5.16 119.66 114.19 3mug s GLN 108 Ca 0.07 -0.78 -0.24 0.00 -1.82 0.00 0.00 55.36 52.60 3mug s GLN 108 Cb 0.05 0.60 -0.08 0.00 -1.09 0.00 0.00 33.01 32.50 3mug s GLN 108 CO 0.09 -0.71 1.24 -1.25 -1.32 0.00 0.00 175.29 173.34 3mug s PRO 109 N -3.84 3.79 0.47 9.60 0.04 -1.26 -4.98 135.00 138.82 3mug s PRO 109 Ca 0.07 1.98 -0.24 0.00 0.04 0.00 0.00 61.00 62.85 3mug s PRO 109 Cb -0.04 -2.55 -0.07 0.00 0.04 0.00 0.00 34.50 31.88 3mug s PRO 109 CO -0.01 -0.59 1.32 0.15 0.04 0.00 0.00 177.00 177.91 3mug s LYS 110 N -2.50 3.58 -0.02 4.56 1.02 -1.26 -4.86 119.74 120.26 3mug s LYS 110 Ca 0.61 2.17 0.01 0.00 0.02 0.00 0.00 55.97 58.78 3mug s LYS 110 Cb -0.34 -2.50 0.01 0.00 -0.52 0.00 0.00 37.83 34.48 3mug s LYS 110 CO 0.42 -0.81 -0.02 0.00 -0.92 0.00 0.00 175.35 174.01 3mug s ALA 111 N -1.32 0.34 0.56 5.17 0.00 -0.54 -4.92 121.76 121.06 3mug s ALA 111 Ca 0.64 -0.03 -0.16 0.00 0.00 0.00 0.00 51.96 52.41 3mug s ALA 111 Cb -0.38 -0.19 -0.05 0.00 0.00 0.00 0.00 23.12 22.49 3mug s ALA 111 CO 0.47 0.02 1.04 0.00 0.00 0.00 0.00 175.76 177.29 3mug s ALA 112 N 0.39 2.83 0.54 0.00 0.00 -1.26 -1.29 121.76 122.97 3mug s ALA 112 Ca -0.04 0.36 -0.17 0.00 0.00 0.00 0.00 51.96 52.11 3mug s ALA 112 Cb -0.07 -3.21 -0.06 0.00 0.00 0.00 0.00 23.12 19.78 3mug s ALA 112 CO -0.01 -0.62 1.02 -1.25 0.00 0.00 0.00 175.76 174.90 3mug s PRO 113 N -4.00 3.67 -0.25 0.00 0.04 -1.26 -4.43 135.00 128.77 3mug s PRO 113 Ca 0.63 1.11 -0.11 0.00 0.04 0.00 0.00 61.00 62.66 3mug s PRO 113 Cb -0.15 -2.09 -0.05 0.00 0.04 0.00 0.00 34.50 32.26 3mug s PRO 113 CO 0.34 -0.51 0.20 -1.12 0.04 0.00 0.00 177.00 175.95 3mug s SER 114 N -2.81 6.12 -0.20 6.66 0.01 0.07 -4.90 113.70 118.66 3mug s SER 114 Ca 0.62 0.12 -0.05 0.00 1.31 0.00 0.00 55.95 57.95 3mug s SER 114 Cb -0.13 -2.13 -0.02 0.00 0.21 0.00 0.00 66.02 63.95 3mug s SER 114 CO 0.32 0.00 -0.00 -0.69 0.41 0.00 0.00 173.24 173.28 3mug s VAL 115 N 1.35 3.96 -0.17 3.43 1.01 -1.26 -0.93 120.40 127.78 3mug s VAL 115 Ca 0.09 -0.31 0.01 0.00 0.00 0.00 0.00 61.98 61.76 3mug s VAL 115 Cb -0.14 -2.79 0.02 0.00 0.00 0.00 0.00 36.38 33.47 3mug s VAL 115 CO 0.07 0.43 -0.20 -0.89 0.00 0.00 0.00 175.10 174.51 3mug s THR 116 N 0.96 2.02 -0.22 3.92 2.01 0.29 -4.97 115.64 119.65 3mug s THR 116 Ca 0.01 -0.92 -0.05 0.00 0.31 0.00 0.00 61.69 61.04 3mug s THR 116 Cb -0.14 -1.83 -0.02 0.00 0.01 0.00 0.00 72.50 70.52 3mug s THR 116 CO 0.02 0.53 0.00 -0.22 -0.69 0.00 0.00 174.62 174.26 3mug s LEU 117 N 1.27 3.16 -0.19 4.42 2.96 -1.26 0.29 118.68 129.33 3mug s LEU 117 Ca 0.04 -0.28 -0.07 0.00 -0.22 0.00 0.00 54.13 53.60 3mug s LEU 117 Cb -0.13 -1.82 -0.04 0.00 0.50 0.00 0.00 46.19 44.70 3mug s LEU 117 CO -0.12 0.00 0.06 -0.36 -1.32 0.00 0.00 176.35 174.61 3mug s PHE 118 N 1.37 3.22 0.87 5.38 0.40 0.87 -4.98 117.98 125.11 3mug s PHE 118 Ca 0.05 0.01 -0.12 0.00 -0.60 0.00 0.00 56.93 56.26 3mug s PHE 118 Cb -0.15 -2.08 0.11 0.00 0.51 0.00 0.00 43.02 41.41 3mug s PHE 118 CO 0.00 0.10 1.14 -1.25 0.70 0.00 0.00 175.22 175.92 3mug s PRO 119 N 0.48 1.47 0.40 0.24 0.04 -1.26 -1.64 135.00 134.72 3mug s PRO 119 Ca 0.03 0.27 -0.27 0.00 0.04 0.00 0.00 61.00 61.06 3mug s PRO 119 Cb -0.13 -1.88 -0.10 0.00 0.04 0.00 0.00 34.50 32.43 3mug s PRO 119 CO 0.01 -1.96 1.48 -2.14 0.04 0.00 0.00 177.00 174.42 3mug s PRO 120 N -5.35 4.00 0.61 0.56 0.02 -1.20 -4.80 135.00 128.84 3mug s PRO 120 Ca 0.63 2.55 -0.15 0.00 0.02 0.00 0.00 61.00 64.05 3mug s PRO 120 Cb -0.14 -2.89 -0.03 0.00 0.02 0.00 0.00 34.50 31.46 3mug s PRO 120 CO 0.52 -0.61 1.07 -1.54 -0.33 0.00 0.00 177.00 176.11 3mug s SER 121 N -0.22 5.62 0.47 2.53 1.04 -1.26 -4.92 113.70 116.97 3mug s SER 121 Ca 0.55 1.84 0.17 0.00 0.48 0.00 0.00 55.95 59.00 3mug s SER 121 Cb -0.46 -2.53 1.14 0.00 0.10 0.00 0.00 66.02 64.26 3mug s SER 121 CO 0.62 -1.28 2.03 0.77 0.98 0.00 0.00 173.24 176.36 3mug h SER 122 N 0.29 0.00 -0.36 7.02 4.64 -1.99 -1.93 113.55 121.22 3mug h SER 122 Ca -0.47 0.00 -0.02 0.00 -0.47 0.00 0.00 61.79 60.84 3mug h SER 122 Cb 1.23 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 63.30 3mug h SER 122 CO 0.57 0.15 0.16 -0.33 -0.87 0.00 0.00 176.83 176.51 3mug h GLU 123 N 0.00 0.52 -0.35 4.77 5.08 -1.99 -1.91 114.58 120.70 3mug h GLU 123 Ca -0.00 -0.08 -0.09 0.00 -1.00 0.00 0.00 59.36 58.19 3mug h GLU 123 Cb 0.28 -0.09 -0.01 0.00 0.50 0.00 0.00 28.75 29.43 3mug h GLU 123 CO 0.02 0.48 -0.11 1.49 -1.00 0.00 0.00 179.01 179.89 3mug h GLU 124 N 0.44 0.70 -0.77 2.33 4.81 -1.73 -2.83 114.58 117.53 3mug h GLU 124 Ca 0.12 -0.28 0.02 0.00 -0.13 0.00 0.00 59.36 59.09 3mug h GLU 124 Cb 0.14 -0.03 -0.04 0.00 0.63 0.00 0.00 28.75 29.44 3mug h GLU 124 CO -0.01 0.87 0.51 -0.07 -0.73 0.00 0.00 179.01 179.58 3mug h LEU 125 N 0.48 0.86 -0.92 1.64 3.38 -1.19 -0.50 115.31 119.06 3mug h LEU 125 Ca 0.09 -0.02 0.00 0.00 0.09 0.00 0.00 57.88 58.04 3mug h LEU 125 Cb 0.63 -0.21 0.00 0.00 0.09 0.00 0.00 40.66 41.17 3mug h LEU 125 CO 0.04 0.61 0.00 1.56 0.09 0.00 0.00 178.44 180.74 3mug h GLN 126 N 1.01 0.00 -0.52 1.13 4.20 -1.24 -2.14 115.11 117.54 3mug h GLN 126 Ca 0.29 0.00 0.00 0.00 0.06 0.00 0.00 58.65 59.00 3mug h GLN 126 Cb -0.05 0.00 0.00 0.00 0.30 0.00 0.00 27.48 27.73 3mug h GLN 126 CO -0.07 0.00 0.00 0.00 -0.67 0.00 0.00 178.83 178.09 3mug n ALA 127 N -1.93 2.42 -3.40 3.87 0.00 -0.24 -4.94 120.51 116.29 3mug n ALA 127 Ca 0.02 -0.92 -0.22 0.00 0.00 0.00 0.00 53.44 52.32 3mug n ALA 127 Cb 0.30 -0.96 0.07 0.00 0.00 0.00 0.00 19.45 18.86 3mug n ALA 127 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.50 175.79 3mug n ASN 128 N 1.04 -6.09 -4.10 0.00 2.85 -0.80 -5.02 115.26 103.14 3mug n ASN 128 Ca 0.18 -0.45 -0.08 0.00 -0.11 0.00 0.00 54.58 54.11 3mug n ASN 128 Cb 0.44 -4.76 -0.10 0.00 1.24 0.00 0.00 39.78 36.60 3mug n ASN 128 CO 0.00 0.00 0.00 -0.54 -2.11 0.00 0.00 177.26 174.61 3mug s LYS 129 N -6.09 0.63 -0.18 1.20 1.02 -0.96 -4.65 119.74 110.71 3mug s LYS 129 Ca 0.49 -1.16 -0.09 0.00 0.02 0.00 0.00 55.97 55.23 3mug s LYS 129 Cb -0.22 0.07 0.07 0.00 -0.52 0.00 0.00 37.83 37.23 3mug s LYS 129 CO 0.60 -0.07 0.41 0.00 -0.92 0.00 0.00 175.35 175.38 3mug s ALA 130 N -3.44 -1.07 -0.05 5.17 0.00 -1.06 -2.80 121.76 118.51 3mug s ALA 130 Ca 0.05 1.53 -0.01 0.00 0.00 0.00 0.00 51.96 53.53 3mug s ALA 130 Cb 0.04 -1.01 0.03 0.00 0.00 0.00 0.00 23.12 22.18 3mug s ALA 130 CO -0.07 -0.36 0.02 0.99 0.00 0.00 0.00 175.76 176.33 3mug s THR 131 N 1.64 0.16 -0.16 0.00 2.01 -1.26 -1.08 115.64 116.97 3mug s THR 131 Ca -0.08 0.19 -0.17 0.00 0.31 0.00 0.00 61.69 61.95 3mug s THR 131 Cb -0.09 -0.32 -0.04 0.00 0.01 0.00 0.00 72.50 72.05 3mug s THR 131 CO -0.13 0.19 0.41 -0.76 -0.69 0.00 0.00 174.62 173.65 3mug s LEU 132 N 1.64 4.23 -0.23 4.42 1.43 -0.49 -3.24 118.68 126.44 3mug s LEU 132 Ca -0.01 0.65 -0.02 0.00 -1.03 0.00 0.00 54.13 53.72 3mug s LEU 132 Cb -0.13 -2.57 0.01 0.00 0.03 0.00 0.00 46.19 43.53 3mug s LEU 132 CO -0.03 -0.01 -0.07 -0.69 0.23 0.00 0.00 176.35 175.78 3mug s VAL 133 N 0.82 2.99 -0.31 -1.59 1.01 -0.65 -1.69 120.40 120.98 3mug s VAL 133 Ca 0.22 -0.78 -0.07 0.00 0.00 0.00 0.00 61.98 61.34 3mug s VAL 133 Cb -0.14 -2.42 0.02 0.00 0.00 0.00 0.00 36.38 33.83 3mug s VAL 133 CO 0.08 0.34 0.11 0.00 0.00 0.00 0.00 175.10 175.63 3mug s LEU 135 N 1.50 3.74 -0.24 0.00 1.43 0.15 -1.17 118.68 124.09 3mug s LEU 135 Ca 0.02 -0.03 -0.03 0.00 -1.03 0.00 0.00 54.13 53.05 3mug s LEU 135 Cb -0.18 -1.99 0.01 0.00 0.03 0.00 0.00 46.19 44.06 3mug s LEU 135 CO 0.03 0.06 -0.03 -0.63 0.23 0.00 0.00 176.35 176.01 3mug s ILE 136 N 1.09 3.25 0.15 -0.59 1.01 0.03 -0.55 121.20 125.59 3mug s ILE 136 Ca 0.05 -0.75 -0.00 0.00 0.00 0.00 0.00 60.65 59.94 3mug s ILE 136 Cb -0.14 -2.58 -0.04 0.00 0.01 0.00 0.00 42.46 39.71 3mug s ILE 136 CO 0.04 0.27 0.05 -0.94 0.00 0.00 0.00 174.94 174.36 3mug s SER 137 N 1.42 0.49 -1.48 3.58 1.04 -0.11 -0.08 113.70 118.56 3mug s SER 137 Ca 0.03 -1.22 -0.04 0.00 0.48 0.00 0.00 55.95 55.20 3mug s SER 137 Cb -0.16 0.26 0.02 0.00 0.10 0.00 0.00 66.02 66.25 3mug s SER 137 CO -0.03 -0.71 0.41 0.47 0.98 0.00 0.00 173.24 174.36 3mug n ASP 138 N -0.14 -5.34 -4.91 7.02 8.00 -0.26 -0.75 116.55 120.17 3mug n ASP 138 Ca -0.05 -0.20 -0.24 0.00 0.71 0.00 0.00 54.79 55.00 3mug n ASP 138 Cb 0.64 -4.37 -0.03 0.00 -0.02 0.00 0.00 41.12 37.33 3mug n ASP 138 CO 0.00 0.00 0.00 0.72 -0.39 0.00 0.00 177.20 177.53 3mug s PHE 139 N -3.04 3.38 -0.28 1.24 -0.12 -0.60 -4.57 117.98 113.99 3mug s PHE 139 Ca 0.24 0.03 -0.13 0.00 -0.05 0.00 0.00 56.93 57.01 3mug s PHE 139 Cb -0.11 -1.58 0.10 0.00 -0.63 0.00 0.00 43.02 40.79 3mug s PHE 139 CO 0.29 0.49 0.66 -0.47 -0.05 0.00 0.00 175.22 176.15 3mug s TYR 140 N -1.86 -1.15 0.79 3.49 5.04 -0.41 -0.45 117.35 122.79 3mug s TYR 140 Ca 0.34 2.17 -0.12 0.00 -2.44 0.00 0.00 57.07 57.02 3mug s TYR 140 Cb -0.10 0.68 0.07 0.00 0.35 0.00 0.00 41.96 42.96 3mug s TYR 140 CO 0.27 -0.57 1.12 -2.14 -1.34 0.00 0.00 175.55 172.89 3mug s PRO 141 N 2.12 2.01 -0.92 4.97 0.02 -1.26 -1.47 135.00 140.47 3mug s PRO 141 Ca -0.08 1.37 -0.06 0.00 0.02 0.00 0.00 61.00 62.24 3mug s PRO 141 Cb -0.08 -1.85 -0.07 0.00 0.02 0.00 0.00 34.50 32.52 3mug s PRO 141 CO -0.19 -1.86 2.24 0.41 -0.33 0.00 0.00 177.00 177.27 3mug n GLY 142 N -0.56 3.18 3.06 0.52 0.00 -1.26 -4.77 105.19 105.35 3mug n GLY 142 Ca 0.10 -0.92 -0.13 0.00 0.00 0.00 0.00 46.02 45.08 3mug n GLY 142 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3mug s ALA 143 N 3.12 -0.61 0.05 4.61 0.00 -1.26 -4.62 121.76 123.05 3mug s ALA 143 Ca 0.43 1.03 -0.02 0.00 0.00 0.00 0.00 51.96 53.40 3mug s ALA 143 Cb 0.12 -0.81 -0.03 0.00 0.00 0.00 0.00 23.12 22.39 3mug s ALA 143 CO -0.03 -0.38 0.01 0.14 0.00 0.00 0.00 175.76 175.49 3mug s VAL 144 N 1.73 0.20 -0.13 0.00 -7.23 -1.26 -4.70 120.40 109.00 3mug s VAL 144 Ca -0.05 -1.61 0.00 0.00 -1.81 0.00 0.00 61.98 58.51 3mug s VAL 144 Cb -0.11 -1.35 -0.01 0.00 0.56 0.00 0.00 36.38 35.47 3mug s VAL 144 CO -0.09 -0.89 -0.15 -0.89 -0.31 0.00 0.00 175.10 172.78 3mug s THR 145 N -3.62 2.88 -0.16 5.32 2.01 -0.32 -4.96 115.64 116.80 3mug s THR 145 Ca 0.04 -0.72 -0.00 0.00 0.31 0.00 0.00 61.69 61.32 3mug s THR 145 Cb 0.06 -2.20 -0.01 0.00 0.01 0.00 0.00 72.50 70.36 3mug s THR 145 CO -0.09 0.53 -0.14 -0.69 -0.69 0.00 0.00 174.62 173.54 3mug s VAL 146 N 0.41 2.81 -0.01 3.82 1.01 -1.26 -0.54 120.40 126.65 3mug s VAL 146 Ca -0.11 -0.72 0.04 0.00 0.00 0.00 0.00 61.98 61.19 3mug s VAL 146 Cb -0.16 -2.20 -0.01 0.00 0.00 0.00 0.00 36.38 34.01 3mug s VAL 146 CO 0.05 0.51 -0.14 0.00 0.00 0.00 0.00 175.10 175.52 3mug s ALA 147 N 0.77 1.17 0.07 5.51 0.00 0.11 -4.98 121.76 124.41 3mug s ALA 147 Ca -0.05 -0.62 0.06 0.00 0.00 0.00 0.00 51.96 51.34 3mug s ALA 147 Cb -0.15 -0.29 -0.04 0.00 0.00 0.00 0.00 23.12 22.64 3mug s ALA 147 CO 0.01 0.29 -0.08 -1.58 0.00 0.00 0.00 175.76 174.40 3mug s TRP 148 N -0.35 2.82 -0.02 0.00 0.52 -1.26 0.10 118.94 120.74 3mug s TRP 148 Ca 0.05 -0.11 0.02 0.00 0.02 0.00 0.00 56.10 56.08 3mug s TRP 148 Cb -0.06 -1.50 0.01 0.00 -1.15 0.00 0.00 33.47 30.77 3mug s TRP 148 CO -0.00 0.42 -0.05 0.15 0.02 0.00 0.00 176.95 177.48 3mug s LYS 149 N -1.99 0.56 -0.34 4.98 1.02 -0.46 -1.36 119.74 122.15 3mug s LYS 149 Ca 0.21 -0.16 -0.09 0.00 0.02 0.00 0.00 55.97 55.94 3mug s LYS 149 Cb -0.11 -0.57 0.02 0.00 -0.52 0.00 0.00 37.83 36.65 3mug s LYS 149 CO 0.13 0.05 0.16 0.00 -0.92 0.00 0.00 175.35 174.77 3mug s ALA 150 N 0.23 3.22 0.00 5.17 0.00 0.23 -0.58 121.76 130.04 3mug s ALA 150 Ca -0.03 -1.59 0.00 0.00 0.00 0.00 0.00 51.96 50.34 3mug s ALA 150 Cb -0.07 -2.44 0.00 0.00 0.00 0.00 0.00 23.12 20.62 3mug s ALA 150 CO -0.00 -1.18 0.00 -0.25 0.00 0.00 0.00 175.76 174.33 3mug n ASP 151 N 4.95 0.00 -0.00 0.00 8.00 0.44 -2.22 116.55 127.72 3mug n ASP 151 Ca -0.13 0.00 0.04 0.00 0.71 0.00 0.00 54.79 55.42 3mug n ASP 151 Cb 0.47 0.00 -0.06 0.00 -0.02 0.00 0.00 41.12 41.51 3mug n ASP 151 CO 0.00 0.00 0.00 -1.20 -0.39 0.00 0.00 177.20 175.61 3mug n SER 152 N 11.28 2.24 -4.75 -2.24 7.64 -1.26 -4.72 113.62 121.81 3mug n SER 152 Ca 0.00 -0.20 -0.40 0.00 1.01 0.00 0.00 58.87 59.28 3mug n SER 152 Cb 0.00 1.29 -0.06 0.00 -1.01 0.00 0.00 64.21 64.44 3mug n SER 152 CO 0.00 0.00 0.00 -0.94 -3.01 0.00 0.00 175.04 171.09 3mug s SER 153 N -2.69 7.59 0.52 6.43 1.04 -0.94 -4.98 113.70 120.67 3mug s SER 153 Ca -0.01 1.95 -0.18 0.00 0.48 0.00 0.00 55.95 58.18 3mug s SER 153 Cb 0.06 -2.61 -0.07 0.00 0.10 0.00 0.00 66.02 63.50 3mug s SER 153 CO 0.37 0.09 1.02 -2.16 0.98 0.00 0.00 173.24 173.54 3mug s PRO 154 N -0.97 3.71 -0.17 4.02 0.04 -1.26 -0.60 135.00 139.76 3mug s PRO 154 Ca 0.42 1.20 -0.00 0.00 0.04 0.00 0.00 61.00 62.67 3mug s PRO 154 Cb -0.26 -2.09 0.04 0.00 0.04 0.00 0.00 34.50 32.23 3mug s PRO 154 CO 0.32 -0.49 -0.05 0.14 0.04 0.00 0.00 177.00 176.96 3mug s VAL 155 N -2.28 1.16 -0.08 -0.36 -7.23 -0.46 -4.78 120.40 106.36 3mug s VAL 155 Ca 0.64 -0.70 0.21 0.00 -1.81 0.00 0.00 61.98 60.31 3mug s VAL 155 Cb -0.14 -1.35 -0.31 0.00 0.56 0.00 0.00 36.38 35.14 3mug s VAL 155 CO 0.27 0.10 0.36 0.29 -0.31 0.00 0.00 175.10 175.81 3mug n LYS 156 N 4.85 0.67 -2.68 4.82 5.02 -1.26 -4.38 118.16 125.21 3mug n LYS 156 Ca -0.12 -0.15 -0.38 0.00 -2.02 0.00 0.00 58.31 55.65 3mug n LYS 156 Cb 0.47 -1.51 -0.06 0.00 -0.02 0.00 0.00 35.03 33.91 3mug n LYS 156 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 3mug s ALA 157 N -3.22 3.23 -0.15 7.82 0.00 -1.26 -3.74 121.76 124.44 3mug s ALA 157 Ca -0.08 0.63 0.00 0.00 0.00 0.00 0.00 51.96 52.51 3mug s ALA 157 Cb 0.12 -3.23 0.00 0.00 0.00 0.00 0.00 23.12 20.01 3mug s ALA 157 CO 0.88 0.05 0.00 0.41 0.00 0.00 0.00 175.76 177.10 3mug n GLY 158 N 0.77 0.50 3.73 0.00 0.00 -1.26 -4.86 105.19 104.07 3mug n GLY 158 Ca 0.01 -0.29 -0.36 0.00 0.00 0.00 0.00 46.02 45.39 3mug n GLY 158 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3mug s VAL 159 N -1.91 5.35 -0.07 1.61 1.01 -1.25 -1.45 120.40 123.70 3mug s VAL 159 Ca 0.00 0.40 -0.01 0.00 0.00 0.00 0.00 61.98 62.37 3mug s VAL 159 Cb 0.00 -3.56 0.03 0.00 0.00 0.00 0.00 36.38 32.84 3mug s VAL 159 CO 0.00 0.42 0.00 -1.61 0.00 0.00 0.00 175.10 173.91 3mug s GLU 160 N 0.38 0.59 -0.04 2.72 0.41 -0.59 -4.99 118.70 117.18 3mug s GLU 160 Ca 0.13 0.10 0.06 0.00 -0.41 0.00 0.00 54.97 54.85 3mug s GLU 160 Cb -0.12 -0.92 -0.01 0.00 -1.78 0.00 0.00 34.13 31.29 3mug s GLU 160 CO 0.02 -0.28 -0.22 0.99 -0.49 0.00 0.00 175.26 175.27 3mug s THR 161 N 1.86 1.81 0.63 3.63 2.01 -1.26 -0.13 115.64 124.19 3mug s THR 161 Ca 0.03 -0.95 -0.08 0.00 0.31 0.00 0.00 61.69 61.00 3mug s THR 161 Cb -0.12 -1.52 0.01 0.00 0.01 0.00 0.00 72.50 70.87 3mug s THR 161 CO -0.05 0.51 0.97 0.42 -0.69 0.00 0.00 174.62 175.78 3mug s THR 162 N -0.31 3.72 0.00 -0.82 -4.23 0.06 -5.00 115.64 109.07 3mug s THR 162 Ca 0.02 0.23 -0.22 0.00 -1.18 0.00 0.00 61.69 60.55 3mug s THR 162 Cb -0.11 -3.51 -0.05 0.00 1.34 0.00 0.00 72.50 70.17 3mug s THR 162 CO 0.01 -0.58 0.65 -0.89 -0.54 0.00 0.00 174.62 173.27 3mug s THR 163 N -3.12 4.87 0.28 3.99 2.01 -1.26 -4.58 115.64 117.83 3mug s THR 163 Ca 0.55 1.36 -0.29 0.00 0.31 0.00 0.00 61.69 63.61 3mug s THR 163 Cb -0.11 -3.99 -0.13 0.00 0.01 0.00 0.00 72.50 68.28 3mug s THR 163 CO 0.48 0.39 1.24 -2.65 -0.69 0.00 0.00 174.62 173.40 3mug n PRO 164 N 2.81 1.81 -4.25 4.92 -0.02 -1.26 -4.86 135.00 134.14 3mug n PRO 164 Ca -0.05 0.64 -0.20 0.00 -2.02 0.00 0.00 63.50 61.86 3mug n PRO 164 Cb 0.51 -2.18 -0.12 0.00 -0.02 0.00 0.00 33.50 31.69 3mug n PRO 164 CO 0.00 0.00 0.00 -1.54 1.98 0.00 0.00 175.50 175.94 3mug s SER 165 N -0.16 2.19 0.32 2.55 1.04 -0.64 -4.92 113.70 114.08 3mug s SER 165 Ca 0.62 -0.75 -0.29 0.00 0.48 0.00 0.00 55.95 56.01 3mug s SER 165 Cb -0.65 -0.10 -0.10 0.00 0.10 0.00 0.00 66.02 65.27 3mug s SER 165 CO 0.57 -0.06 1.26 -0.54 0.98 0.00 0.00 173.24 175.44 3mug s LYS 166 N -2.31 4.41 -0.67 4.02 1.02 -1.26 -1.84 119.74 123.12 3mug s LYS 166 Ca 0.07 2.11 -0.00 0.00 0.02 0.00 0.00 55.97 58.18 3mug s LYS 166 Cb -0.07 -3.09 0.41 0.00 -0.52 0.00 0.00 37.83 34.55 3mug s LYS 166 CO 0.04 -0.10 1.82 0.00 -0.92 0.00 0.00 175.35 176.19 3mug n GLN 167 N 0.87 2.91 0.00 1.68 10.64 0.25 -4.89 117.38 128.84 3mug n GLN 167 Ca -0.00 -3.63 0.00 0.00 -1.83 0.00 0.00 57.00 51.53 3mug n GLN 167 Cb 0.43 -2.28 0.00 0.00 -0.86 0.00 0.00 30.24 27.53 3mug n GLN 167 CO 0.00 0.00 0.00 -1.13 -1.83 0.00 0.00 177.06 174.10 3mug n SER 168 N -0.69 0.00 -2.12 2.61 3.41 -1.26 -4.61 113.62 110.96 3mug n SER 168 Ca 0.54 0.00 -0.24 0.00 -0.26 0.00 0.00 58.87 58.91 3mug n SER 168 Cb 0.53 0.00 0.12 0.00 -0.26 0.00 0.00 64.21 64.60 3mug n SER 168 CO 0.00 0.00 0.00 -0.46 -0.16 0.00 0.00 175.04 174.42 3mug n ASN 170 N 0.78 5.00 0.00 4.04 0.23 -1.26 -4.94 115.26 119.11 3mug n ASN 170 Ca 0.00 -3.47 0.00 0.00 -0.53 0.00 0.00 54.58 50.58 3mug n ASN 170 Cb 0.00 -0.87 0.00 0.00 -2.08 0.00 0.00 39.78 36.83 3mug n ASN 170 CO 0.00 0.00 0.00 0.59 -0.93 0.00 0.00 177.26 176.92 3mug n ASN 171 N -0.81 0.00 -4.85 0.53 4.13 -1.26 -4.94 115.26 108.07 3mug n ASN 171 Ca 0.53 0.00 -0.29 0.00 1.68 0.00 0.00 54.58 56.50 3mug n ASN 171 Cb 1.20 -0.47 0.10 0.00 -1.54 0.00 0.00 39.78 39.08 3mug n ASN 171 CO 0.00 0.00 0.00 -0.54 0.28 0.00 0.00 177.26 177.00 3mug s LYS 172 N 0.00 1.77 0.23 3.52 1.02 -1.26 -4.74 119.74 120.29 3mug s LYS 172 Ca 0.00 0.26 0.07 0.00 0.02 0.00 0.00 55.97 56.32 3mug s LYS 172 Cb 0.00 -1.92 -0.04 0.00 -0.52 0.00 0.00 37.83 35.36 3mug s LYS 172 CO 0.00 -1.76 0.19 0.71 -0.92 0.00 0.00 175.35 173.57 3mug s TYR 173 N -3.41 3.13 0.02 3.18 2.02 0.40 -0.59 117.35 122.10 3mug s TYR 173 Ca 0.62 -0.09 -0.04 0.00 -0.37 0.00 0.00 57.07 57.20 3mug s TYR 173 Cb -0.13 -1.43 -0.01 0.00 -0.40 0.00 0.00 41.96 39.99 3mug s TYR 173 CO 0.51 0.52 0.06 0.00 -1.57 0.00 0.00 175.55 175.07 3mug s ALA 174 N -2.04 -0.09 0.20 3.71 0.00 -0.76 -1.10 121.76 121.68 3mug s ALA 174 Ca 0.32 -0.40 -0.11 0.00 0.00 0.00 0.00 51.96 51.78 3mug s ALA 174 Cb -0.08 0.15 -0.00 0.00 0.00 0.00 0.00 23.12 23.18 3mug s ALA 174 CO 0.25 -0.20 0.38 0.00 0.00 0.00 0.00 175.76 176.18 3mug s ALA 175 N -1.62 -0.14 0.00 0.00 0.00 0.88 -1.63 121.76 119.26 3mug s ALA 175 Ca -0.14 -0.85 -0.05 0.00 0.00 0.00 0.00 51.96 50.93 3mug s ALA 175 Cb -0.08 0.98 -0.00 0.00 0.00 0.00 0.00 23.12 24.02 3mug s ALA 175 CO -0.00 -0.75 0.08 -1.54 0.00 0.00 0.00 175.76 173.55 3mug s SER 176 N -2.99 0.07 0.00 0.00 1.04 -1.26 -0.79 113.70 109.78 3mug s SER 176 Ca 0.20 -0.25 0.02 0.00 0.48 0.00 0.00 55.95 56.40 3mug s SER 176 Cb 0.01 0.18 -0.01 0.00 0.10 0.00 0.00 66.02 66.30 3mug s SER 176 CO 0.04 -0.31 -0.07 -0.55 0.98 0.00 0.00 173.24 173.32 3mug s SER 177 N -1.25 0.86 -0.02 7.02 0.15 -0.31 -0.76 113.70 119.38 3mug s SER 177 Ca -0.13 -0.18 0.06 0.00 0.70 0.00 0.00 55.95 56.40 3mug s SER 177 Cb -0.08 -0.08 -0.01 0.00 -1.71 0.00 0.00 66.02 64.14 3mug s SER 177 CO 0.01 0.06 -0.20 -0.31 1.20 0.00 0.00 173.24 174.00 3mug s TYR 178 N -0.29 1.81 -0.29 3.44 2.02 0.82 -0.70 117.35 124.15 3mug s TYR 178 Ca 0.02 -0.40 0.02 0.00 -0.37 0.00 0.00 57.07 56.34 3mug s TYR 178 Cb -0.04 -1.18 0.07 0.00 -0.40 0.00 0.00 41.96 40.42 3mug s TYR 178 CO -0.00 -0.07 -0.04 -1.17 -1.57 0.00 0.00 175.55 172.70 3mug s LEU 179 N -0.33 3.96 -0.09 -1.29 2.96 -0.68 -1.54 118.68 121.67 3mug s LEU 179 Ca 0.04 -1.63 -0.23 0.00 -0.22 0.00 0.00 54.13 52.10 3mug s LEU 179 Cb -0.09 -1.60 -0.03 0.00 0.50 0.00 0.00 46.19 44.96 3mug s LEU 179 CO 0.00 -0.27 0.69 -0.44 -1.32 0.00 0.00 176.35 175.01 3mug s SER 180 N 1.09 6.93 0.23 3.68 0.01 -0.53 -1.40 113.70 123.73 3mug s SER 180 Ca -0.02 1.13 0.01 0.00 1.31 0.00 0.00 55.95 58.38 3mug s SER 180 Cb -0.20 -2.40 -0.05 0.00 0.21 0.00 0.00 66.02 63.58 3mug s SER 180 CO -0.05 -0.15 0.07 -0.76 0.41 0.00 0.00 173.24 172.76 3mug s LEU 181 N 1.01 1.74 0.39 2.44 1.43 -0.24 -4.71 118.68 120.74 3mug s LEU 181 Ca 0.36 -1.33 -0.08 0.00 -1.03 0.00 0.00 54.13 52.05 3mug s LEU 181 Cb -0.17 0.02 -0.06 0.00 0.03 0.00 0.00 46.19 46.01 3mug s LEU 181 CO 0.16 -0.69 0.72 0.42 0.23 0.00 0.00 176.35 177.19 3mug s THR 182 N -3.75 4.86 0.59 5.49 -4.23 -1.26 -2.56 115.64 114.78 3mug s THR 182 Ca 0.34 0.43 0.30 0.00 -1.18 0.00 0.00 61.69 61.58 3mug s THR 182 Cb 0.07 -3.75 0.36 0.00 1.34 0.00 0.00 72.50 70.52 3mug s THR 182 CO 0.11 -0.52 2.22 -0.65 -0.54 0.00 0.00 174.62 175.24 3mug h PRO 183 N 1.22 0.00 -0.15 3.99 0.11 -1.82 -2.49 132.00 132.85 3mug h PRO 183 Ca -0.47 0.00 -0.06 0.00 0.11 0.00 0.00 66.00 65.58 3mug h PRO 183 Cb 1.19 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 32.30 3mug h PRO 183 CO 0.64 0.00 -0.13 0.93 -0.21 0.00 0.00 178.00 179.23 3mug h GLU 184 N 0.00 0.36 -0.59 1.05 3.07 -1.98 -2.72 114.58 113.77 3mug h GLU 184 Ca 0.02 -0.18 -0.00 0.00 -0.50 0.00 0.00 59.36 58.70 3mug h GLU 184 Cb 0.13 0.00 -0.03 0.00 -0.84 0.00 0.00 28.75 28.01 3mug h GLU 184 CO -0.00 0.73 0.37 1.96 -1.40 0.00 0.00 179.01 180.67 3mug h GLN 185 N 0.00 0.80 -0.80 2.33 4.20 -1.84 -1.51 115.11 118.29 3mug h GLN 185 Ca 0.03 -0.07 0.06 0.00 0.06 0.00 0.00 58.65 58.73 3mug h GLN 185 Cb 0.65 -0.17 -0.06 0.00 0.30 0.00 0.00 27.48 28.21 3mug h GLN 185 CO 0.03 0.57 0.49 2.35 -0.67 0.00 0.00 178.83 181.60 3mug h TRP 186 N 0.80 0.90 0.00 2.96 2.91 -1.49 -2.30 115.95 119.74 3mug h TRP 186 Ca 0.21 0.03 0.00 0.00 1.13 0.00 0.00 58.89 60.26 3mug h TRP 186 Cb -0.04 -0.29 0.00 0.00 -0.51 0.00 0.00 29.16 28.33 3mug h TRP 186 CO -0.02 0.46 -0.32 0.87 -1.03 0.00 0.00 178.44 178.39 3mug h LYS 187 N 0.90 0.00 0.00 2.65 1.57 -1.28 -3.35 116.57 117.06 3mug h LYS 187 Ca 0.35 0.00 -0.09 0.00 -1.87 0.00 0.00 60.65 59.04 3mug h LYS 187 Cb 0.16 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.45 3mug h LYS 187 CO -0.17 0.00 -0.43 0.77 -0.57 0.00 0.00 179.45 179.05 3mug h SER 188 N 0.00 0.00 -2.78 0.86 0.02 -0.67 -3.45 113.55 107.52 3mug h SER 188 Ca 0.00 0.00 -0.59 0.00 -0.84 0.00 0.00 61.79 60.36 3mug h SER 188 Cb 0.81 0.00 -0.09 0.00 0.14 0.00 0.00 62.40 63.26 3mug h SER 188 CO 0.00 0.43 -0.61 -1.00 -1.14 0.00 0.00 176.83 174.51 3mug s HIS 189 N -3.66 3.01 0.23 3.45 3.76 -1.22 -5.04 115.29 115.82 3mug s HIS 189 Ca -0.01 -0.07 0.09 0.00 -0.15 0.00 0.00 55.06 54.92 3mug s HIS 189 Cb 0.12 -1.45 0.19 0.00 1.11 0.00 0.00 32.58 32.55 3mug s HIS 189 CO 0.71 0.52 1.51 1.57 -0.85 0.00 0.00 174.74 178.20 3mug h LYS 190 N 2.55 0.04 -3.29 1.40 -0.00 -1.89 -3.42 116.57 111.95 3mug h LYS 190 Ca -0.47 -0.03 -0.01 0.00 -0.00 0.00 0.00 60.65 60.14 3mug h LYS 190 Cb 1.20 0.01 -0.09 0.00 -0.00 0.00 0.00 32.23 33.35 3mug h LYS 190 CO 0.61 0.74 0.05 -1.54 -0.00 0.00 0.00 179.45 179.32 3mug s SER 191 N -6.83 -0.24 -0.00 7.07 1.04 -1.26 -4.20 113.70 109.28 3mug s SER 191 Ca -0.01 -0.59 0.01 0.00 0.48 0.00 0.00 55.95 55.84 3mug s SER 191 Cb 0.12 0.62 -0.00 0.00 0.10 0.00 0.00 66.02 66.86 3mug s SER 191 CO 0.78 -1.14 -0.02 -0.31 0.98 0.00 0.00 173.24 173.53 3mug s TYR 192 N -3.91 0.22 0.04 5.02 1.51 -0.27 -0.42 117.35 119.54 3mug s TYR 192 Ca 0.12 -0.04 0.05 0.00 -1.01 0.00 0.00 57.07 56.20 3mug s TYR 192 Cb -0.02 -0.16 -0.02 0.00 -0.11 0.00 0.00 41.96 41.65 3mug s TYR 192 CO 0.02 -0.01 -0.15 -1.12 -1.11 0.00 0.00 175.55 173.17 3mug s SER 193 N 0.01 1.82 -0.24 2.29 0.01 0.26 -1.33 113.70 116.52 3mug s SER 193 Ca 0.00 -0.47 -0.01 0.00 1.31 0.00 0.00 55.95 56.78 3mug s SER 193 Cb -0.02 -0.13 0.02 0.00 0.21 0.00 0.00 66.02 66.11 3mug s SER 193 CO -0.00 0.06 -0.08 0.00 0.41 0.00 0.00 173.24 173.62 3mug s GLN 195 N 1.32 3.27 -0.16 0.00 0.74 0.11 -1.85 119.66 123.09 3mug s GLN 195 Ca 0.01 -0.71 -0.01 0.00 0.05 0.00 0.00 55.36 54.69 3mug s GLN 195 Cb -0.16 -3.16 -0.01 0.00 1.10 0.00 0.00 33.01 30.78 3mug s GLN 195 CO -0.06 -0.29 -0.11 0.08 -0.55 0.00 0.00 175.29 174.36 3mug s VAL 196 N 1.49 3.02 -0.17 1.34 1.01 0.33 -0.71 120.40 126.70 3mug s VAL 196 Ca 0.04 -0.65 -0.04 0.00 0.00 0.00 0.00 61.98 61.34 3mug s VAL 196 Cb -0.15 -2.30 -0.02 0.00 0.00 0.00 0.00 36.38 33.90 3mug s VAL 196 CO -0.01 0.50 -0.04 -0.89 0.00 0.00 0.00 175.10 174.66 3mug s THR 197 N 0.81 3.75 -0.08 3.92 2.01 0.30 -1.46 115.64 124.90 3mug s THR 197 Ca -0.04 -0.40 -0.03 0.00 0.31 0.00 0.00 61.69 61.53 3mug s THR 197 Cb -0.15 -2.65 0.04 0.00 0.01 0.00 0.00 72.50 69.75 3mug s THR 197 CO 0.01 0.48 0.15 -2.28 -0.69 0.00 0.00 174.62 172.29 3mug s HIS 198 N 0.61 -0.17 -1.37 4.92 2.46 -0.00 -1.18 115.29 120.55 3mug s HIS 198 Ca -0.03 0.57 -0.05 0.00 0.47 0.00 0.00 55.06 56.02 3mug s HIS 198 Cb -0.14 -0.24 0.03 0.00 -0.13 0.00 0.00 32.58 32.10 3mug s HIS 198 CO 0.02 -0.25 0.89 0.39 -2.47 0.00 0.00 174.74 173.32 3mug n GLU 199 N 5.11 -5.70 0.00 2.88 -0.58 -1.26 -1.87 120.64 119.22 3mug n GLU 199 Ca -0.09 0.67 0.00 0.00 -0.42 0.00 0.00 57.16 57.32 3mug n GLU 199 Cb 0.50 -5.45 0.00 0.00 -0.57 0.00 0.00 31.44 25.93 3mug n GLU 199 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 3mug n GLY 200 N -1.62 1.99 3.89 0.62 0.00 -1.26 -4.99 105.19 103.83 3mug n GLY 200 Ca -0.15 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.55 3mug n GLY 200 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 3mug s SER 203 N -2.43 6.51 0.01 1.61 0.01 -0.78 -5.10 113.70 113.53 3mug s SER 203 Ca 0.00 0.63 0.06 0.00 1.31 0.00 0.00 55.95 57.95 3mug s SER 203 Cb 0.00 -2.11 -0.02 0.00 0.21 0.00 0.00 66.02 64.10 3mug s SER 203 CO 0.00 0.04 -0.17 -0.89 0.41 0.00 0.00 173.24 172.63 3mug s THR 204 N -1.67 1.38 -0.06 1.44 2.01 -1.26 -0.82 115.64 116.65 3mug s THR 204 Ca 0.42 -0.90 0.05 0.00 0.31 0.00 0.00 61.69 61.56 3mug s THR 204 Cb -0.12 -1.18 -0.00 0.00 0.01 0.00 0.00 72.50 71.21 3mug s THR 204 CO 0.24 0.26 -0.21 -0.69 -0.69 0.00 0.00 174.62 173.53 3mug s VAL 205 N -0.59 1.78 -0.09 3.82 1.01 -0.53 -4.99 120.40 120.81 3mug s VAL 205 Ca 0.06 -0.90 0.00 0.00 0.00 0.00 0.00 61.98 61.15 3mug s VAL 205 Cb -0.07 -1.53 0.02 0.00 0.00 0.00 0.00 36.38 34.80 3mug s VAL 205 CO 0.00 0.50 -0.09 -0.70 0.00 0.00 0.00 175.10 174.82 3mug s GLU 206 N 0.10 1.54 0.02 2.72 2.12 -1.26 -0.51 118.70 123.43 3mug s GLU 206 Ca -0.09 -0.29 0.03 0.00 0.36 0.00 0.00 54.97 54.98 3mug s GLU 206 Cb -0.14 -1.49 -0.04 0.00 0.26 0.00 0.00 34.13 32.73 3mug s GLU 206 CO 0.05 -0.16 -0.05 0.15 -0.54 0.00 0.00 175.26 174.70 3mug s LYS 207 N 1.34 2.56 -0.03 4.30 -0.14 -0.77 -4.98 119.74 122.01 3mug s LYS 207 Ca -0.02 -0.74 0.04 0.00 -1.36 0.00 0.00 55.97 53.89 3mug s LYS 207 Cb -0.14 -2.52 -0.01 0.00 -1.68 0.00 0.00 37.83 33.49 3mug s LYS 207 CO -0.04 0.59 -0.16 0.99 -0.76 0.00 0.00 175.35 175.97 3mug s THR 208 N -1.06 1.31 0.09 2.17 2.01 -1.26 -1.79 115.64 117.11 3mug s THR 208 Ca 0.19 -0.68 0.08 0.00 0.31 0.00 0.00 61.69 61.59 3mug s THR 208 Cb -0.11 -1.12 -0.03 0.00 0.01 0.00 0.00 72.50 71.25 3mug s THR 208 CO 0.10 0.38 -0.21 0.68 -0.69 0.00 0.00 174.62 174.88 3mug s VAL 209 N -0.11 1.71 0.04 3.82 -7.23 -0.44 -4.99 120.40 113.19 3mug s VAL 209 Ca 0.00 -1.47 0.05 0.00 -1.81 0.00 0.00 61.98 58.76 3mug s VAL 209 Cb -0.09 -1.54 -0.02 0.00 0.56 0.00 0.00 36.38 35.29 3mug s VAL 209 CO 0.01 -0.00 -0.16 0.00 -0.31 0.00 0.00 175.10 174.64 3mug s ALA 210 N -1.08 1.33 0.08 1.32 0.00 -1.26 -1.12 121.76 121.03 3mug s ALA 210 Ca 0.07 -0.87 -0.31 0.00 0.00 0.00 0.00 51.96 50.85 3mug s ALA 210 Cb -0.10 -0.24 -0.09 0.00 0.00 0.00 0.00 23.12 22.70 3mug s ALA 210 CO 0.04 0.27 1.76 -2.14 0.00 0.00 0.00 175.76 175.69 3mug s PRO 211 N -1.08 4.17 0.00 0.00 0.02 -1.26 -5.05 135.00 131.80 3mug s PRO 211 Ca 0.04 2.45 0.00 0.00 0.02 0.00 0.00 61.00 63.51 3mug s PRO 211 Cb -0.08 -3.69 0.00 0.00 0.02 0.00 0.00 34.50 30.75 3mug s PRO 211 CO 0.01 -0.81 0.39 0.25 -0.33 0.00 0.00 177.00 176.52