#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ujm h LYS 3 N 0.00 0.44 -4.72 0.00 1.57 -2.03 -3.33 116.57 108.49 1ujm h LYS 3 Ca 0.00 -0.03 -0.69 0.00 -1.87 0.00 0.00 60.65 58.07 1ujm h LYS 3 Cb 0.00 -0.10 -0.32 0.00 0.08 0.00 0.00 32.23 31.89 1ujm h LYS 3 CO 0.00 0.29 -0.66 0.42 -0.57 0.00 0.00 179.45 178.93 1ujm s ILE 4 N -5.63 3.21 0.19 1.86 1.01 -1.26 -5.04 121.20 115.55 1ujm s ILE 4 Ca -0.10 -1.39 -0.30 0.00 0.00 0.00 0.00 60.65 58.87 1ujm s ILE 4 Cb 0.27 -2.88 -0.08 0.00 0.01 0.00 0.00 42.46 39.79 1ujm s ILE 4 CO 0.80 -0.18 1.11 -0.62 0.00 0.00 0.00 174.94 176.05 1ujm s ASP 5 N 1.35 7.25 -1.34 3.58 2.15 -1.25 -3.35 116.67 125.06 1ujm s ASP 5 Ca -0.03 2.13 0.00 0.00 0.43 0.00 0.00 52.55 55.08 1ujm s ASP 5 Cb -0.20 -2.61 0.00 0.00 -0.30 0.00 0.00 42.92 39.81 1ujm s ASP 5 CO -0.00 -0.23 0.00 0.59 -0.17 0.00 0.00 175.17 175.36 1ujm n ASN 6 N 2.23 -4.49 -4.72 -0.34 3.02 -1.26 -4.95 115.26 104.76 1ujm n ASN 6 Ca 0.02 0.17 -0.42 0.00 -0.03 0.00 0.00 54.58 54.32 1ujm n ASN 6 Cb 0.46 -3.42 -0.03 0.00 -0.61 0.00 0.00 39.78 36.17 1ujm n ASN 6 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1ujm s ALA 7 N -2.60 3.90 0.40 5.41 0.00 -1.21 -4.29 121.76 123.36 1ujm s ALA 7 Ca 0.00 1.54 0.37 0.00 0.00 0.00 0.00 51.96 53.88 1ujm s ALA 7 Cb 0.00 -3.70 1.83 0.00 0.00 0.00 0.00 23.12 21.25 1ujm s ALA 7 CO 0.00 -0.95 2.17 -0.39 0.00 0.00 0.00 175.76 176.59 1ujm h VAL 8 N 3.96 0.11 -3.41 0.00 -1.51 -0.85 -3.39 116.25 111.16 1ujm h VAL 8 Ca -0.43 -0.30 -0.65 0.00 -1.23 0.00 0.00 66.70 64.08 1ujm h VAL 8 Cb 1.20 1.27 -0.26 0.00 -2.13 0.00 0.00 31.29 31.37 1ujm h VAL 8 CO 0.95 0.02 -0.71 -0.76 -1.23 0.00 0.00 177.57 175.85 1ujm s LEU 9 N -6.38 3.00 0.79 4.19 1.43 -1.26 -5.05 118.68 115.39 1ujm s LEU 9 Ca -0.02 -0.33 -0.14 0.00 -1.03 0.00 0.00 54.13 52.61 1ujm s LEU 9 Cb 0.11 -1.76 0.04 0.00 0.03 0.00 0.00 46.19 44.61 1ujm s LEU 9 CO 0.50 0.02 0.95 -2.65 0.23 0.00 0.00 176.35 175.39 1ujm n PRO 10 N 4.55 0.23 -1.70 1.29 -0.02 -1.26 -4.87 135.00 133.22 1ujm n PRO 10 Ca -0.18 0.14 -0.43 0.00 -2.02 0.00 0.00 63.50 61.02 1ujm n PRO 10 Cb 0.51 -2.22 -0.01 0.00 -0.02 0.00 0.00 33.50 31.77 1ujm n PRO 10 CO 0.00 0.00 0.00 0.39 1.98 0.00 0.00 175.50 177.87 1ujm n GLU 11 N -2.33 2.12 -0.67 -0.52 1.02 -1.26 -1.70 120.64 117.31 1ujm n GLU 11 Ca 0.12 0.74 0.00 0.00 -0.02 0.00 0.00 57.16 58.01 1ujm n GLU 11 Cb 0.50 -2.33 0.00 0.00 -0.02 0.00 0.00 31.44 29.60 1ujm n GLU 11 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1ujm n GLY 12 N 0.79 1.43 3.53 0.62 0.00 -1.15 -4.99 105.19 105.42 1ujm n GLY 12 Ca 0.05 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.70 1ujm n GLY 12 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1ujm n SER 13 N 0.00 -0.30 -4.76 1.61 7.64 -0.69 -3.78 113.62 113.33 1ujm n SER 13 Ca 0.00 0.71 -0.38 0.00 1.01 0.00 0.00 58.87 60.21 1ujm n SER 13 Cb 0.00 -1.28 -0.06 0.00 -1.01 0.00 0.00 64.21 61.86 1ujm n SER 13 CO 0.00 0.00 0.00 -0.22 -3.01 0.00 0.00 175.04 171.81 1ujm s LEU 14 N -0.93 4.38 -0.08 -3.43 2.96 -1.26 -1.24 118.68 119.08 1ujm s LEU 14 Ca 0.71 1.02 0.03 0.00 -0.22 0.00 0.00 54.13 55.67 1ujm s LEU 14 Cb -0.40 -2.79 0.01 0.00 0.50 0.00 0.00 46.19 43.51 1ujm s LEU 14 CO 0.52 0.11 -0.17 -0.69 -1.32 0.00 0.00 176.35 174.80 1ujm s VAL 15 N -0.10 1.53 -0.19 1.68 1.01 0.30 -1.21 120.40 123.42 1ujm s VAL 15 Ca 0.28 -0.70 -0.20 0.00 0.00 0.00 0.00 61.98 61.36 1ujm s VAL 15 Cb -0.17 -1.36 -0.03 0.00 0.00 0.00 0.00 36.38 34.82 1ujm s VAL 15 CO 0.14 0.44 0.58 -0.22 0.00 0.00 0.00 175.10 176.05 1ujm s LEU 16 N 0.58 4.16 -0.29 3.92 2.96 -0.24 -1.84 118.68 127.93 1ujm s LEU 16 Ca -0.15 0.79 0.03 0.00 -0.22 0.00 0.00 54.13 54.57 1ujm s LEU 16 Cb -0.17 -2.82 0.07 0.00 0.50 0.00 0.00 46.19 43.78 1ujm s LEU 16 CO 0.05 -0.21 -0.04 -0.69 -1.32 0.00 0.00 176.35 174.14 1ujm s VAL 17 N 1.67 2.32 0.27 1.68 1.01 -0.65 -0.58 120.40 126.12 1ujm s VAL 17 Ca 0.27 -1.85 -0.30 0.00 0.00 0.00 0.00 61.98 60.11 1ujm s VAL 17 Cb -0.16 -2.49 -0.09 0.00 0.00 0.00 0.00 36.38 33.64 1ujm s VAL 17 CO 0.10 -0.24 1.05 0.42 0.00 0.00 0.00 175.10 176.43 1ujm s THR 18 N 1.05 3.68 -1.06 3.92 -4.23 -0.76 -1.38 115.64 116.86 1ujm s THR 18 Ca -0.02 1.68 -0.07 0.00 -1.18 0.00 0.00 61.69 62.10 1ujm s THR 18 Cb -0.20 -4.07 0.01 0.00 1.34 0.00 0.00 72.50 69.58 1ujm s THR 18 CO -0.06 0.40 0.93 0.61 -0.54 0.00 0.00 174.62 175.96 1ujm n GLY 19 N 1.27 -0.22 0.10 3.99 0.00 -0.28 -2.09 105.19 107.96 1ujm n GLY 19 Ca -0.01 0.05 0.07 0.00 0.00 0.00 0.00 46.02 46.13 1ujm n GLY 19 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1ujm n ALA 20 N -4.46 1.07 1.18 4.61 0.00 0.22 -1.64 120.51 121.49 1ujm n ALA 20 Ca 0.01 0.12 0.13 0.00 0.00 0.00 0.00 53.44 53.70 1ujm n ALA 20 Cb 0.55 -1.21 0.46 0.00 0.00 0.00 0.00 19.45 19.24 1ujm n ALA 20 CO 0.00 0.00 0.00 0.27 0.00 0.00 0.00 177.50 177.77 1ujm n ASN 21 N -1.99 0.48 -4.68 0.00 6.94 -1.26 -3.51 115.26 111.23 1ujm n ASN 21 Ca -0.01 -0.32 -0.30 0.00 -0.02 0.00 0.00 54.58 53.94 1ujm n ASN 21 Cb 0.04 -0.02 0.16 0.00 -2.36 0.00 0.00 39.78 37.59 1ujm n ASN 21 CO 0.00 0.00 0.00 -0.83 -1.03 0.00 0.00 177.26 175.40 1ujm s GLY 22 N -2.74 1.62 0.03 4.83 0.00 -0.65 -4.82 107.32 105.59 1ujm s GLY 22 Ca 0.20 0.05 -0.24 0.00 0.00 0.00 0.00 44.72 44.73 1ujm s GLY 22 CO 0.56 0.55 1.24 -2.75 0.00 0.00 0.00 173.10 172.71 1ujm h PHE 23 N -1.73 -0.79 -0.34 1.90 3.57 -1.90 -1.32 116.94 116.33 1ujm h PHE 23 Ca -0.50 -0.02 0.04 0.00 3.53 0.00 0.00 57.97 61.03 1ujm h PHE 23 Cb 1.28 0.26 -0.04 0.00 2.79 0.00 0.00 35.95 40.25 1ujm h PHE 23 CO 0.42 -0.49 0.10 0.28 -2.23 0.00 0.00 178.31 176.39 1ujm h VAL 24 N -0.94 0.88 -0.82 1.41 2.07 -1.95 -2.52 116.25 114.37 1ujm h VAL 24 Ca -0.09 -0.08 0.10 0.00 0.82 0.00 0.00 66.70 67.46 1ujm h VAL 24 Cb 0.66 0.62 -0.08 0.00 -1.52 0.00 0.00 31.29 30.97 1ujm h VAL 24 CO 0.14 0.04 0.46 0.00 0.02 0.00 0.00 177.57 178.24 1ujm h ALA 25 N 1.23 1.19 -0.00 1.67 0.00 -1.83 -1.46 119.26 120.05 1ujm h ALA 25 Ca 0.16 0.04 0.00 0.00 0.00 0.00 0.00 54.91 55.11 1ujm h ALA 25 Cb 0.15 -0.11 -0.00 0.00 0.00 0.00 0.00 17.79 17.83 1ujm h ALA 25 CO -0.18 0.06 0.00 0.66 0.00 0.00 0.00 179.25 179.79 1ujm h SER 26 N 0.75 0.00 0.97 0.00 4.64 -0.78 0.36 113.55 119.50 1ujm h SER 26 Ca 0.41 0.00 -0.21 0.00 -0.47 0.00 0.00 61.79 61.51 1ujm h SER 26 Cb 0.42 0.00 -0.03 0.00 -0.31 0.00 0.00 62.40 62.48 1ujm h SER 26 CO -0.27 0.00 -1.03 0.45 -0.87 0.00 0.00 176.83 175.11 1ujm h HIS 27 N 0.00 0.03 -0.20 4.77 3.86 -1.24 -1.07 115.15 121.30 1ujm h HIS 27 Ca 0.00 -0.02 -0.03 0.00 -1.16 0.00 0.00 60.37 59.16 1ujm h HIS 27 Cb 0.00 -0.00 -0.01 0.00 1.06 0.00 0.00 27.41 28.46 1ujm h HIS 27 CO 0.00 1.02 0.01 0.28 0.86 0.00 0.00 177.93 180.10 1ujm h VAL 28 N 0.00 1.24 -0.15 2.45 2.07 -0.83 -1.03 116.25 120.00 1ujm h VAL 28 Ca -0.02 -0.82 0.02 0.00 0.82 0.00 0.00 66.70 66.70 1ujm h VAL 28 Cb 1.79 1.40 -0.02 0.00 -1.52 0.00 0.00 31.29 32.94 1ujm h VAL 28 CO 0.13 0.25 0.01 0.58 0.02 0.00 0.00 177.57 178.57 1ujm h VAL 29 N 0.11 0.91 -0.65 2.57 2.07 -0.97 -1.25 116.25 119.04 1ujm h VAL 29 Ca 0.06 -0.02 0.06 0.00 0.82 0.00 0.00 66.70 67.61 1ujm h VAL 29 Cb 0.37 0.84 -0.06 0.00 -1.52 0.00 0.00 31.29 30.91 1ujm h VAL 29 CO 0.01 0.01 0.35 -0.08 0.02 0.00 0.00 177.57 177.88 1ujm h GLU 30 N 0.07 0.63 -0.52 1.57 4.57 -1.00 -0.46 114.58 119.44 1ujm h GLU 30 Ca 0.07 -0.04 -0.11 0.00 -1.18 0.00 0.00 59.36 58.10 1ujm h GLU 30 Cb 0.07 -0.14 -0.02 0.00 -0.16 0.00 0.00 28.75 28.50 1ujm h GLU 30 CO -0.11 0.42 -0.12 0.37 -1.18 0.00 0.00 179.01 178.39 1ujm h GLN 31 N 0.65 0.97 0.13 1.92 5.75 -0.87 -0.55 115.11 123.12 1ujm h GLN 31 Ca 0.30 -0.36 -0.01 0.00 -0.15 0.00 0.00 58.65 58.43 1ujm h GLN 31 Cb 0.20 -0.06 0.00 0.00 1.07 0.00 0.00 27.48 28.69 1ujm h GLN 31 CO -0.19 1.03 -0.06 -0.07 -2.65 0.00 0.00 178.83 176.89 1ujm h LEU 32 N 0.87 -0.15 -0.80 -2.39 3.38 -0.70 -1.71 115.31 113.81 1ujm h LEU 32 Ca 0.13 -0.09 0.05 0.00 0.09 0.00 0.00 57.88 58.07 1ujm h LEU 32 Cb 0.67 0.04 -0.06 0.00 0.09 0.00 0.00 40.66 41.40 1ujm h LEU 32 CO 0.05 0.00 0.49 -0.07 0.09 0.00 0.00 178.44 179.00 1ujm h LEU 33 N -0.29 0.78 -1.72 1.67 3.38 -0.98 -0.66 115.31 117.48 1ujm h LEU 33 Ca -0.02 0.01 -0.01 0.00 0.09 0.00 0.00 57.88 57.95 1ujm h LEU 33 Cb 0.23 -0.15 -0.01 0.00 0.09 0.00 0.00 40.66 40.82 1ujm h LEU 33 CO 0.03 0.51 0.03 -0.08 0.09 0.00 0.00 178.44 179.01 1ujm h GLU 34 N 0.91 0.20 -0.75 1.13 4.57 -0.90 -1.67 114.58 118.08 1ujm h GLU 34 Ca 0.34 -0.02 0.00 0.00 -1.18 0.00 0.00 59.36 58.50 1ujm h GLU 34 Cb 0.14 -0.04 0.00 0.00 -0.16 0.00 0.00 28.75 28.69 1ujm h GLU 34 CO -0.16 0.20 0.00 0.72 -1.18 0.00 0.00 179.01 178.59 1ujm n HIS 35 N -4.44 1.23 -1.01 0.92 8.25 -0.32 -4.91 115.22 114.94 1ujm n HIS 35 Ca -0.01 -0.43 -0.00 0.00 -0.26 0.00 0.00 57.72 57.02 1ujm n HIS 35 Cb 0.14 -0.34 -0.00 0.00 1.12 0.00 0.00 29.99 30.91 1ujm n HIS 35 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1ujm n GLY 36 N 0.39 0.46 3.87 -1.41 0.00 -0.63 -4.83 105.19 103.04 1ujm n GLY 36 Ca 0.16 -0.09 -0.33 0.00 0.00 0.00 0.00 46.02 45.76 1ujm n GLY 36 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1ujm s TYR 37 N -1.91 3.52 0.19 1.61 2.02 -0.84 -2.94 117.35 118.99 1ujm s TYR 37 Ca 0.00 0.85 -0.16 0.00 -0.37 0.00 0.00 57.07 57.39 1ujm s TYR 37 Cb 0.00 -2.22 -0.08 0.00 -0.40 0.00 0.00 41.96 39.26 1ujm s TYR 37 CO 0.00 0.40 0.63 0.15 -1.57 0.00 0.00 175.55 175.16 1ujm s LYS 38 N -2.35 4.08 -0.00 -0.62 1.02 -0.38 -4.02 119.74 117.47 1ujm s LYS 38 Ca 0.40 0.64 0.03 0.00 0.02 0.00 0.00 55.97 57.07 1ujm s LYS 38 Cb -0.13 -2.88 -0.01 0.00 -0.52 0.00 0.00 37.83 34.29 1ujm s LYS 38 CO 0.20 0.42 -0.11 0.08 -0.92 0.00 0.00 175.35 175.03 1ujm s VAL 39 N -1.52 0.83 -0.28 3.17 1.01 -0.34 -0.54 120.40 122.73 1ujm s VAL 39 Ca 0.41 -0.48 0.03 0.00 0.00 0.00 0.00 61.98 61.93 1ujm s VAL 39 Cb -0.15 -0.70 0.07 0.00 0.00 0.00 0.00 36.38 35.60 1ujm s VAL 39 CO 0.20 0.21 -0.05 -0.60 0.00 0.00 0.00 175.10 174.86 1ujm s ARG 40 N -0.31 1.87 -0.15 2.72 3.52 -0.77 -0.59 118.95 125.24 1ujm s ARG 40 Ca 0.04 -1.45 -0.08 0.00 -0.13 0.00 0.00 55.73 54.11 1ujm s ARG 40 Cb -0.04 -2.91 -0.04 0.00 -1.56 0.00 0.00 34.95 30.39 1ujm s ARG 40 CO -0.00 -0.70 0.13 0.20 -0.81 0.00 0.00 175.30 174.11 1ujm s GLY 41 N 1.10 2.10 0.07 8.12 0.00 -0.46 -1.64 107.32 116.60 1ujm s GLY 41 Ca -0.02 -0.67 0.00 0.00 0.00 0.00 0.00 44.72 44.04 1ujm s GLY 41 CO -0.07 -0.19 0.21 -0.51 0.00 0.00 0.00 173.10 172.55 1ujm s THR 42 N -0.48 5.34 0.11 0.90 -4.23 -0.48 -0.69 115.64 116.12 1ujm s THR 42 Ca 0.12 -0.44 -0.14 0.00 -1.18 0.00 0.00 61.69 60.06 1ujm s THR 42 Cb -0.12 -3.62 0.02 0.00 1.34 0.00 0.00 72.50 70.13 1ujm s THR 42 CO 0.02 0.12 0.33 0.00 -0.54 0.00 0.00 174.62 174.55 1ujm s ALA 43 N -1.53 -0.71 0.11 3.99 0.00 -0.96 -0.61 121.76 122.06 1ujm s ALA 43 Ca 0.35 -0.22 0.32 0.00 0.00 0.00 0.00 51.96 52.41 1ujm s ALA 43 Cb -0.13 0.62 1.62 0.00 0.00 0.00 0.00 23.12 25.23 1ujm s ALA 43 CO 0.28 -0.60 1.98 0.00 0.00 0.00 0.00 175.76 177.42 1ujm h ARG 44 N 2.50 0.00 -2.73 0.00 3.08 -1.90 -1.69 114.38 113.65 1ujm h ARG 44 Ca -0.34 0.00 -0.08 0.00 0.07 0.00 0.00 59.98 59.63 1ujm h ARG 44 Cb 1.24 0.00 -0.18 0.00 0.08 0.00 0.00 29.97 31.11 1ujm h ARG 44 CO 0.50 0.00 -0.04 -1.54 -1.07 0.00 0.00 179.97 177.82 1ujm s SER 45 N -4.80 -0.39 0.38 7.04 1.04 -1.26 -4.03 113.70 111.68 1ujm s SER 45 Ca -0.01 0.23 0.16 0.00 0.48 0.00 0.00 55.95 56.80 1ujm s SER 45 Cb 0.10 0.44 0.76 0.00 0.10 0.00 0.00 66.02 67.42 1ujm s SER 45 CO 0.38 -0.62 1.80 0.00 0.98 0.00 0.00 173.24 175.78 1ujm h ALA 46 N 3.14 1.21 -0.12 5.32 0.00 -1.91 -2.85 119.26 124.05 1ujm h ALA 46 Ca -0.30 -0.34 -0.10 0.00 0.00 0.00 0.00 54.91 54.18 1ujm h ALA 46 Cb 1.19 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 18.90 1ujm h ALA 46 CO 0.41 0.47 -0.35 0.66 0.00 0.00 0.00 179.25 180.44 1ujm h SER 47 N 0.00 0.26 0.51 0.00 4.64 -1.98 -2.25 113.55 114.72 1ujm h SER 47 Ca -0.00 -0.10 0.00 0.00 -0.47 0.00 0.00 61.79 61.22 1ujm h SER 47 Cb 0.74 -0.07 0.00 0.00 -0.31 0.00 0.00 62.40 62.76 1ujm h SER 47 CO 0.05 0.60 0.00 0.29 -0.87 0.00 0.00 176.83 176.89 1ujm n LYS 48 N -4.08 0.06 -0.01 4.77 5.02 -1.07 -2.34 118.16 120.51 1ujm n LYS 48 Ca -0.01 0.34 0.02 0.00 -2.02 0.00 0.00 58.31 56.64 1ujm n LYS 48 Cb 0.44 -1.63 0.02 0.00 -0.02 0.00 0.00 35.03 33.84 1ujm n LYS 48 CO 0.00 0.00 0.00 -0.11 -0.52 0.00 0.00 177.40 176.77 1ujm n LEU 49 N -1.75 1.53 0.19 -0.35 7.94 -0.89 -4.76 117.00 118.90 1ujm n LEU 49 Ca 0.03 -1.22 -0.14 0.00 -1.11 0.00 0.00 56.01 53.56 1ujm n LEU 49 Cb 0.17 -0.02 -0.07 0.00 0.53 0.00 0.00 43.42 44.03 1ujm n LEU 49 CO 0.14 0.35 0.74 0.00 -1.11 0.00 0.00 177.39 177.51 1ujm h ALA 50 N 0.71 -0.46 -0.63 1.96 0.00 -1.04 0.34 119.26 120.14 1ujm h ALA 50 Ca 0.00 -0.08 0.06 0.00 0.00 0.00 0.00 54.91 54.88 1ujm h ALA 50 Cb 0.25 0.25 -0.05 0.00 0.00 0.00 0.00 17.79 18.24 1ujm h ALA 50 CO 0.00 -0.77 0.34 -0.91 0.00 0.00 0.00 179.25 177.91 1ujm h ASN 51 N -0.48 0.50 -0.17 0.00 2.35 -1.86 0.37 115.58 116.30 1ujm h ASN 51 Ca -0.02 0.03 -0.15 0.00 -0.55 0.00 0.00 56.30 55.61 1ujm h ASN 51 Cb 0.41 -0.07 -0.01 0.00 0.05 0.00 0.00 38.32 38.70 1ujm h ASN 51 CO 0.01 0.33 -0.43 -0.07 -1.65 0.00 0.00 177.43 175.62 1ujm h LEU 52 N 0.64 0.77 -0.61 1.61 3.38 -1.84 -1.91 115.31 117.35 1ujm h LEU 52 Ca 0.28 -0.36 0.01 0.00 0.09 0.00 0.00 57.88 57.90 1ujm h LEU 52 Cb 0.17 -0.22 -0.03 0.00 0.09 0.00 0.00 40.66 40.67 1ujm h LEU 52 CO -0.18 1.09 0.39 -0.61 0.09 0.00 0.00 178.44 179.23 1ujm h GLN 53 N 0.58 0.77 0.01 1.13 5.75 0.32 0.52 115.11 124.19 1ujm h GLN 53 Ca 0.04 -0.05 0.01 0.00 -0.15 0.00 0.00 58.65 58.51 1ujm h GLN 53 Cb 0.98 -0.17 -0.02 0.00 1.07 0.00 0.00 27.48 29.34 1ujm h GLN 53 CO 0.09 0.51 -0.07 -0.22 -2.65 0.00 0.00 178.83 176.49 1ujm h LYS 54 N 0.79 -0.12 -0.15 1.69 3.11 -0.75 0.22 116.57 121.36 1ujm h LYS 54 Ca 0.23 0.01 0.04 0.00 -2.81 0.00 0.00 60.65 58.12 1ujm h LYS 54 Cb -0.05 0.03 -0.05 0.00 -1.00 0.00 0.00 32.23 31.16 1ujm h LYS 54 CO -0.07 -0.08 -0.14 -0.09 -2.81 0.00 0.00 179.45 176.26 1ujm h ARG 55 N -0.13 -0.15 0.00 1.90 2.43 -0.77 -2.23 114.38 115.43 1ujm h ARG 55 Ca 0.03 0.01 -0.05 0.00 -0.81 0.00 0.00 59.98 59.16 1ujm h ARG 55 Cb 0.16 0.03 -0.01 0.00 -0.42 0.00 0.00 29.97 29.74 1ujm h ARG 55 CO -0.07 -0.10 -0.23 -1.49 -1.51 0.00 0.00 179.97 176.57 1ujm h TRP 56 N -0.16 0.00 -0.25 2.20 6.55 -0.59 -1.31 115.95 122.40 1ujm h TRP 56 Ca 0.10 0.00 -0.16 0.00 0.95 0.00 0.00 58.89 59.78 1ujm h TRP 56 Cb 0.30 0.00 -0.01 0.00 -0.86 0.00 0.00 29.16 28.60 1ujm h TRP 56 CO -0.27 0.23 -0.48 -0.44 -1.05 0.00 0.00 178.44 176.43 1ujm h ASP 57 N 0.00 0.74 -0.10 -3.49 3.45 -0.13 0.24 116.42 117.13 1ujm h ASP 57 Ca -0.00 -0.36 -0.21 0.00 0.43 0.00 0.00 57.03 56.88 1ujm h ASP 57 Cb 0.65 -0.21 0.01 0.00 -0.56 0.00 0.00 39.33 39.22 1ujm h ASP 57 CO 0.03 1.09 -0.77 0.00 -1.57 0.00 0.00 179.24 178.02 1ujm h ALA 58 N 0.93 0.23 0.15 3.45 0.00 -1.06 -3.08 119.26 119.88 1ujm h ALA 58 Ca 0.03 -0.60 -0.23 0.00 0.00 0.00 0.00 54.91 54.11 1ujm h ALA 58 Cb 1.03 0.01 0.02 0.00 0.00 0.00 0.00 17.79 18.85 1ujm h ALA 58 CO 0.10 0.60 -1.04 0.87 0.00 0.00 0.00 179.25 179.77 1ujm h LYS 59 N 0.38 0.31 -2.44 0.00 1.57 -1.24 -3.41 116.57 111.75 1ujm h LYS 59 Ca -0.07 -0.54 -0.60 0.00 -1.87 0.00 0.00 60.65 57.58 1ujm h LYS 59 Cb 1.42 0.20 -0.41 0.00 0.08 0.00 0.00 32.23 33.52 1ujm h LYS 59 CO 0.16 1.26 -0.77 0.66 -0.57 0.00 0.00 179.45 180.18 1ujm n TYR 60 N -4.03 1.75 -1.59 -1.35 4.01 0.85 -5.08 117.16 111.73 1ujm n TYR 60 Ca -0.17 -3.90 -0.61 0.00 -0.16 0.00 0.00 57.90 53.06 1ujm n TYR 60 Cb 0.88 -0.37 -0.09 0.00 -0.31 0.00 0.00 39.34 39.45 1ujm n TYR 60 CO 0.00 0.00 0.00 -0.35 -0.46 0.00 0.00 176.86 176.05 1ujm n PRO 61 N 1.69 0.47 -1.78 -0.72 -0.04 -1.16 -1.62 135.00 131.83 1ujm n PRO 61 Ca 0.25 0.16 -0.17 0.00 -0.04 0.00 0.00 63.50 63.71 1ujm n PRO 61 Cb 0.43 -1.79 -0.05 0.00 -0.04 0.00 0.00 33.50 32.05 1ujm n PRO 61 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1ujm n GLY 62 N 5.13 0.96 0.01 0.55 0.00 -1.26 -4.88 105.19 105.70 1ujm n GLY 62 Ca 0.36 -0.21 0.09 0.00 0.00 0.00 0.00 46.02 46.26 1ujm n GLY 62 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1ujm n ARG 63 N -2.55 0.58 -4.93 1.61 5.12 -0.64 -4.96 116.66 110.89 1ujm n ARG 63 Ca -0.18 -0.17 -0.33 0.00 -1.93 0.00 0.00 57.85 55.25 1ujm n ARG 63 Cb 0.58 -1.45 -0.13 0.00 -1.16 0.00 0.00 32.46 30.30 1ujm n ARG 63 CO 0.00 0.00 0.00 0.12 -1.93 0.00 0.00 177.63 175.82 1ujm s PHE 64 N -3.30 2.67 -0.07 -1.55 5.36 -1.26 -1.20 117.98 118.63 1ujm s PHE 64 Ca -0.07 -0.20 0.01 0.00 -0.96 0.00 0.00 56.93 55.71 1ujm s PHE 64 Cb 0.12 -1.62 0.02 0.00 -0.34 0.00 0.00 43.02 41.20 1ujm s PHE 64 CO 0.78 0.15 -0.08 -2.00 -1.46 0.00 0.00 175.22 172.61 1ujm s GLU 65 N -0.68 1.36 0.14 10.12 2.12 0.24 -4.98 118.70 127.02 1ujm s GLU 65 Ca 0.10 -0.26 -0.30 0.00 0.36 0.00 0.00 54.97 54.88 1ujm s GLU 65 Cb -0.11 -1.27 -0.07 0.00 0.26 0.00 0.00 34.13 32.94 1ujm s GLU 65 CO 0.01 -0.10 1.05 0.99 -0.54 0.00 0.00 175.26 176.67 1ujm s THR 66 N 1.07 4.12 -0.02 -1.70 2.01 -1.26 -1.36 115.64 118.50 1ujm s THR 66 Ca -0.08 1.78 0.03 0.00 0.31 0.00 0.00 61.69 63.73 1ujm s THR 66 Cb -0.14 -4.13 -0.00 0.00 0.01 0.00 0.00 72.50 68.23 1ujm s THR 66 CO -0.01 0.28 -0.10 0.00 -0.69 0.00 0.00 174.62 174.10 1ujm s ALA 67 N -0.06 0.90 -0.20 7.40 0.00 0.13 -4.91 121.76 125.02 1ujm s ALA 67 Ca 0.49 -0.40 -0.11 0.00 0.00 0.00 0.00 51.96 51.94 1ujm s ALA 67 Cb -0.27 -0.29 -0.05 0.00 0.00 0.00 0.00 23.12 22.51 1ujm s ALA 67 CO 0.33 0.18 0.17 0.08 0.00 0.00 0.00 175.76 176.51 1ujm s VAL 68 N 0.00 5.38 -0.35 0.00 1.01 -1.26 -2.26 120.40 122.91 1ujm s VAL 68 Ca -0.00 0.25 0.01 0.00 0.00 0.00 0.00 61.98 62.24 1ujm s VAL 68 Cb -0.07 -3.50 0.14 0.00 0.00 0.00 0.00 36.38 32.95 1ujm s VAL 68 CO 0.00 0.41 0.28 -0.69 0.00 0.00 0.00 175.10 175.10 1ujm s VAL 69 N 0.56 -0.11 -0.89 2.92 1.01 -0.63 -4.93 120.40 118.32 1ujm s VAL 69 Ca 0.09 -1.28 0.27 0.00 0.00 0.00 0.00 61.98 61.07 1ujm s VAL 69 Cb -0.12 -0.91 0.21 0.00 0.00 0.00 0.00 36.38 35.57 1ujm s VAL 69 CO 0.00 -0.77 1.78 -1.84 0.00 0.00 0.00 175.10 174.27 1ujm n GLU 70 N 4.26 0.10 -4.26 2.72 0.28 -1.26 -3.81 120.64 118.68 1ujm n GLU 70 Ca 0.10 0.07 -0.14 0.00 -0.16 0.00 0.00 57.16 57.03 1ujm n GLU 70 Cb 0.41 -1.61 -0.10 0.00 1.43 0.00 0.00 31.44 31.57 1ujm n GLU 70 CO 0.00 0.00 0.00 0.34 -0.16 0.00 0.00 177.13 177.31 1ujm s ASP 71 N -3.57 1.13 0.00 -1.84 3.68 -1.26 -4.93 116.67 109.88 1ujm s ASP 71 Ca 0.12 -1.24 0.00 0.00 2.13 0.00 0.00 52.55 53.56 1ujm s ASP 71 Cb 0.16 0.15 0.00 0.00 -1.45 0.00 0.00 42.92 41.78 1ujm s ASP 71 CO 0.58 -0.63 0.00 0.18 0.13 0.00 0.00 175.17 175.43 1ujm n LEU 73 N -0.30 0.00 -4.73 -1.34 4.77 -1.26 -4.78 117.00 109.35 1ujm n LEU 73 Ca -0.04 0.00 -0.42 0.00 -0.03 0.00 0.00 56.01 55.52 1ujm n LEU 73 Cb 0.64 0.00 -0.01 0.00 -2.33 0.00 0.00 43.42 41.72 1ujm n LEU 73 CO 0.34 0.00 1.15 1.17 -1.33 0.00 0.00 177.39 178.72 1ujm n LYS 74 N 0.00 2.53 -2.11 3.23 4.81 -1.26 -4.91 118.16 120.44 1ujm n LYS 74 Ca 0.00 0.90 -0.42 0.00 -0.87 0.00 0.00 58.31 57.92 1ujm n LYS 74 Cb 0.00 -2.63 -0.03 0.00 0.02 0.00 0.00 35.03 32.39 1ujm n LYS 74 CO 0.00 0.00 0.00 -0.65 1.17 0.00 0.00 177.40 177.92 1ujm s GLN 75 N -0.96 4.27 0.00 1.64 -1.52 -1.26 -1.87 119.66 119.97 1ujm s GLN 75 Ca 0.62 2.12 0.00 0.00 -1.95 0.00 0.00 55.36 56.15 1ujm s GLN 75 Cb -0.52 -3.41 0.00 0.00 -0.22 0.00 0.00 33.01 28.86 1ujm s GLN 75 CO 0.53 -0.56 0.00 0.41 -0.25 0.00 0.00 175.29 175.43 1ujm n GLY 76 N 3.67 0.65 0.39 3.09 0.00 -1.26 -4.94 105.19 106.79 1ujm n GLY 76 Ca 0.13 0.00 0.21 0.00 0.00 0.00 0.00 46.02 46.36 1ujm n GLY 76 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1ujm h ALA 77 N 0.00 2.47 -0.18 4.61 0.00 -1.68 -2.04 119.26 122.44 1ujm h ALA 77 Ca 0.00 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.89 1ujm h ALA 77 Cb 0.00 0.04 0.00 0.00 0.00 0.00 0.00 17.79 17.83 1ujm h ALA 77 CO 0.00 -0.71 0.00 0.66 0.00 0.00 0.00 179.25 179.20 1ujm n TYR 78 N -4.24 0.22 -0.28 0.00 4.02 -1.26 -4.67 117.16 110.94 1ujm n TYR 78 Ca 0.10 -0.15 0.10 0.00 -0.01 0.00 0.00 57.90 57.95 1ujm n TYR 78 Cb 0.65 -0.00 0.25 0.00 -0.02 0.00 0.00 39.34 40.22 1ujm n TYR 78 CO 0.00 0.00 0.00 -0.44 -1.01 0.00 0.00 176.86 175.41 1ujm h ASP 79 N 3.42 0.13 0.12 7.72 5.19 -1.78 -1.35 116.42 129.86 1ujm h ASP 79 Ca 0.00 0.16 -0.27 0.00 -0.62 0.00 0.00 57.03 56.30 1ujm h ASP 79 Cb 0.78 0.19 -0.00 0.00 0.18 0.00 0.00 39.33 40.48 1ujm h ASP 79 CO 0.00 -0.05 -1.35 -0.33 -3.12 0.00 0.00 179.24 174.38 1ujm h GLU 80 N 0.30 0.25 0.00 3.56 3.07 -1.83 -3.37 114.58 116.57 1ujm h GLU 80 Ca 0.50 -0.43 -0.08 0.00 -0.50 0.00 0.00 59.36 58.85 1ujm h GLU 80 Cb 0.94 0.16 -0.01 0.00 -0.84 0.00 0.00 28.75 29.00 1ujm h GLU 80 CO -0.56 1.21 -0.38 -0.39 -1.40 0.00 0.00 179.01 177.49 1ujm h VAL 81 N -0.31 1.19 0.00 3.13 -1.51 -1.82 -2.92 116.25 114.02 1ujm h VAL 81 Ca -0.29 -1.34 0.00 0.00 -1.23 0.00 0.00 66.70 63.85 1ujm h VAL 81 Cb 1.75 1.74 0.00 0.00 -2.13 0.00 0.00 31.29 32.65 1ujm h VAL 81 CO 0.07 0.37 0.00 0.00 -1.23 0.00 0.00 177.57 176.78 1ujm n ILE 82 N -3.97 0.43 -1.69 7.19 3.06 -0.52 -4.80 119.36 119.07 1ujm n ILE 82 Ca -0.02 -0.16 -0.52 0.00 -2.50 0.00 0.00 62.75 59.56 1ujm n ILE 82 Cb 0.43 -0.60 -0.06 0.00 0.54 0.00 0.00 39.64 39.95 1ujm n ILE 82 CO 0.00 0.00 0.00 1.17 -2.50 0.00 0.00 176.55 175.22 1ujm n LYS 83 N -2.01 1.77 -0.90 9.51 4.81 -1.11 -0.95 118.16 129.29 1ujm n LYS 83 Ca 0.06 0.65 0.00 0.00 -0.87 0.00 0.00 58.31 58.15 1ujm n LYS 83 Cb 0.39 -2.43 0.00 0.00 0.02 0.00 0.00 35.03 33.01 1ujm n LYS 83 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 1ujm n GLY 84 N 4.26 0.90 3.72 3.14 0.00 -1.26 -5.02 105.19 110.94 1ujm n GLY 84 Ca 0.24 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.84 1ujm n GLY 84 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1ujm s ALA 85 N -3.59 3.26 -0.10 4.61 0.00 -0.12 -4.60 121.76 121.22 1ujm s ALA 85 Ca 0.00 0.66 0.22 0.00 0.00 0.00 0.00 51.96 52.83 1ujm s ALA 85 Cb 0.00 -3.35 -0.23 0.00 0.00 0.00 0.00 23.12 19.54 1ujm s ALA 85 CO 0.00 -0.22 0.64 0.00 0.00 0.00 0.00 175.76 176.18 1ujm n ALA 86 N 3.39 2.60 -2.57 0.00 0.00 -0.35 -2.39 120.51 121.19 1ujm n ALA 86 Ca 0.05 -0.49 -0.08 0.00 0.00 0.00 0.00 53.44 52.92 1ujm n ALA 86 Cb 0.49 -0.83 -0.10 0.00 0.00 0.00 0.00 19.45 19.00 1ujm n ALA 86 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.50 177.70 1ujm s GLY 87 N -4.55 0.32 -0.03 0.00 0.00 -1.13 -1.00 107.32 100.94 1ujm s GLY 87 Ca -0.06 -0.84 -0.00 0.00 0.00 0.00 0.00 44.72 43.82 1ujm s GLY 87 CO 0.87 -0.94 0.03 0.14 0.00 0.00 0.00 173.10 173.19 1ujm s VAL 88 N -2.67 0.00 -0.30 1.40 1.01 -0.60 -1.08 120.40 118.18 1ujm s VAL 88 Ca -0.05 0.21 0.01 0.00 0.00 0.00 0.00 61.98 62.15 1ujm s VAL 88 Cb -0.01 -0.14 0.07 0.00 0.00 0.00 0.00 36.38 36.29 1ujm s VAL 88 CO -0.05 0.12 -0.02 0.00 0.00 0.00 0.00 175.10 175.15 1ujm s ALA 89 N 1.21 2.76 -0.45 5.51 0.00 0.25 -0.32 121.76 130.72 1ujm s ALA 89 Ca -0.07 -1.93 -0.22 0.00 0.00 0.00 0.00 51.96 49.74 1ujm s ALA 89 Cb -0.13 -1.85 0.03 0.00 0.00 0.00 0.00 23.12 21.17 1ujm s ALA 89 CO -0.03 -1.34 0.74 -1.58 0.00 0.00 0.00 175.76 173.55 1ujm s HIS 90 N 1.14 3.01 0.00 0.00 2.46 -0.36 -1.83 115.29 119.71 1ujm s HIS 90 Ca -0.03 0.04 0.00 0.00 0.47 0.00 0.00 55.06 55.54 1ujm s HIS 90 Cb -0.20 -3.57 0.00 0.00 -0.13 0.00 0.00 32.58 28.68 1ujm s HIS 90 CO -0.04 -0.97 0.21 -0.89 -2.47 0.00 0.00 174.74 170.58 1ujm n ILE 91 N 6.02 0.00 -1.91 0.89 5.41 -1.13 -2.01 119.36 126.63 1ujm n ILE 91 Ca 0.00 -0.32 -0.41 0.00 1.00 0.00 0.00 62.75 63.02 1ujm n ILE 91 Cb 0.48 1.23 -0.02 0.00 -0.71 0.00 0.00 39.64 40.63 1ujm n ILE 91 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 1ujm s ALA 92 N -0.23 3.64 0.30 -1.39 0.00 -0.89 -4.75 121.76 118.44 1ujm s ALA 92 Ca 0.00 1.45 0.10 0.00 0.00 0.00 0.00 51.96 53.51 1ujm s ALA 92 Cb 0.00 -3.59 -0.05 0.00 0.00 0.00 0.00 23.12 19.48 1ujm s ALA 92 CO 0.00 -0.87 -0.09 -1.12 0.00 0.00 0.00 175.76 173.68 1ujm s SER 93 N 0.21 3.97 1.19 0.00 0.01 -1.26 -4.96 113.70 112.86 1ujm s SER 93 Ca 0.58 -0.94 -0.13 0.00 1.31 0.00 0.00 55.95 56.77 1ujm s SER 93 Cb -0.44 -0.49 0.30 0.00 0.21 0.00 0.00 66.02 65.59 1ujm s SER 93 CO 0.50 -0.05 1.02 0.54 0.41 0.00 0.00 173.24 175.65 1ujm s VAL 94 N -2.47 2.00 -0.67 3.43 0.11 -1.26 -4.97 120.40 116.57 1ujm s VAL 94 Ca 0.32 0.00 0.01 0.00 -2.93 0.00 0.00 61.98 59.37 1ujm s VAL 94 Cb -0.04 -2.02 0.39 0.00 -1.53 0.00 0.00 36.38 33.19 1ujm s VAL 94 CO 0.17 -0.00 1.70 1.33 -3.33 0.00 0.00 175.10 174.97 1ujm n VAL 95 N -5.03 3.17 0.00 2.04 0.24 -1.26 -5.03 118.33 112.45 1ujm n VAL 95 Ca 0.02 -4.31 0.00 0.00 -2.04 0.00 0.00 64.34 58.01 1ujm n VAL 95 Cb 0.54 -1.23 0.00 0.00 -1.47 0.00 0.00 33.84 31.68 1ujm n VAL 95 CO 0.00 0.00 0.00 -0.24 -2.14 0.00 0.00 176.83 174.45 1ujm n SER 96 N -0.58 0.00 -2.24 -1.34 2.88 -1.26 -4.96 113.62 106.11 1ujm n SER 96 Ca 0.50 0.00 -0.21 0.00 -1.33 0.00 0.00 58.87 57.83 1ujm n SER 96 Cb 0.46 0.00 0.02 0.00 -0.75 0.00 0.00 64.21 63.94 1ujm n SER 96 CO 0.00 0.00 0.00 0.49 -1.23 0.00 0.00 175.04 174.30 1ujm n PHE 97 N -0.24 2.63 -3.09 0.66 3.72 -1.26 -4.97 117.46 114.91 1ujm n PHE 97 Ca 0.00 -2.42 -0.45 0.00 -0.05 0.00 0.00 57.45 54.53 1ujm n PHE 97 Cb 0.00 -0.28 -0.03 0.00 -0.94 0.00 0.00 39.48 38.24 1ujm n PHE 97 CO 0.00 0.00 0.00 0.45 -0.05 0.00 0.00 176.76 177.16 1ujm s SER 98 N -3.59 6.61 0.01 4.37 0.15 -1.26 -4.99 113.70 115.00 1ujm s SER 98 Ca 0.46 -2.18 -0.01 0.00 0.70 0.00 0.00 55.95 54.93 1ujm s SER 98 Cb 0.40 -2.32 0.01 0.00 -1.71 0.00 0.00 66.02 62.40 1ujm s SER 98 CO -0.02 -0.91 0.07 -3.20 1.20 0.00 0.00 173.24 170.39 1ujm n ASN 99 N 5.64 -0.02 -2.48 5.45 5.15 -1.26 -4.50 115.26 123.24 1ujm n ASN 99 Ca 0.16 0.08 -0.31 0.00 -0.60 0.00 0.00 54.58 53.90 1ujm n ASN 99 Cb 0.47 -0.02 -0.07 0.00 -0.53 0.00 0.00 39.78 39.63 1ujm n ASN 99 CO 0.00 0.00 0.00 0.29 1.40 0.00 0.00 177.26 178.95 1ujm n LYS 100 N -4.07 0.00 -0.20 1.20 4.76 -1.26 -4.71 118.16 113.88 1ujm n LYS 100 Ca 0.01 0.00 -0.05 0.00 -2.87 0.00 0.00 58.31 55.40 1ujm n LYS 100 Cb 0.02 -0.86 0.01 0.00 -1.84 0.00 0.00 35.03 32.36 1ujm n LYS 100 CO 0.00 0.00 0.00 -0.92 -1.37 0.00 0.00 177.40 175.11 1ujm h TYR 101 N 5.63 -0.84 -0.30 2.13 5.03 -1.89 0.21 116.97 126.94 1ujm h TYR 101 Ca -0.05 0.07 -0.01 0.00 2.58 0.00 0.00 58.73 61.32 1ujm h TYR 101 Cb 0.80 0.46 -0.02 0.00 1.55 0.00 0.00 36.73 39.52 1ujm h TYR 101 CO 0.58 -0.37 0.15 0.22 -1.32 0.00 0.00 178.16 177.42 1ujm h ASP 102 N -0.15 0.36 1.60 -2.11 -0.00 -1.96 0.35 116.42 114.50 1ujm h ASP 102 Ca 0.24 -0.02 -0.04 0.00 -0.00 0.00 0.00 57.03 57.20 1ujm h ASP 102 Cb 0.54 -0.09 -0.01 0.00 -0.00 0.00 0.00 39.33 39.78 1ujm h ASP 102 CO -0.67 0.30 -0.21 -0.33 -0.00 0.00 0.00 179.24 178.33 1ujm h GLU 103 N 0.41 0.00 0.00 0.28 5.08 -1.01 -2.87 114.58 116.46 1ujm h GLU 103 Ca 0.11 0.00 -0.41 0.00 -1.00 0.00 0.00 59.36 58.05 1ujm h GLU 103 Cb 0.03 0.00 -0.07 0.00 0.50 0.00 0.00 28.75 29.21 1ujm h GLU 103 CO -0.02 0.21 -2.50 0.28 -1.00 0.00 0.00 179.01 175.98 1ujm n VAL 104 N -3.18 1.50 -0.06 3.13 0.31 -0.10 -4.41 118.33 115.52 1ujm n VAL 104 Ca 0.02 -0.52 -0.16 0.00 -0.01 0.00 0.00 64.34 63.68 1ujm n VAL 104 Cb 0.57 -1.56 -0.06 0.00 -0.91 0.00 0.00 33.84 31.89 1ujm n VAL 104 CO 0.00 0.00 0.00 0.58 -1.32 0.00 0.00 176.83 176.09 1ujm h VAL 105 N -0.30 1.29 -0.15 2.52 2.07 -0.48 -3.11 116.25 118.09 1ujm h VAL 105 Ca -0.62 -1.79 0.00 0.00 0.82 0.00 0.00 66.70 65.11 1ujm h VAL 105 Cb 1.82 1.80 -0.01 0.00 -1.52 0.00 0.00 31.29 33.37 1ujm h VAL 105 CO -0.19 0.57 0.10 0.74 0.02 0.00 0.00 177.57 178.81 1ujm h THR 106 N 0.56 1.06 -0.50 2.57 2.02 -1.66 -2.04 112.91 114.92 1ujm h THR 106 Ca -0.01 -0.13 -0.05 0.00 0.77 0.00 0.00 66.41 66.98 1ujm h THR 106 Cb 1.21 0.87 -0.02 0.00 -1.74 0.00 0.00 68.15 68.47 1ujm h THR 106 CO 0.13 0.06 0.10 -0.65 0.37 0.00 0.00 175.52 175.52 1ujm h PRO 107 N 0.19 0.78 -0.02 6.66 0.11 -1.77 0.84 132.00 138.79 1ujm h PRO 107 Ca 0.06 -0.16 0.01 0.00 0.11 0.00 0.00 66.00 66.01 1ujm h PRO 107 Cb 0.01 -0.11 -0.01 0.00 0.11 0.00 0.00 31.00 30.99 1ujm h PRO 107 CO -0.01 0.72 -0.02 0.00 -0.21 0.00 0.00 178.00 178.48 1ujm h ALA 108 N 1.36 -0.00 -0.32 -0.75 0.00 -1.42 0.23 119.26 118.35 1ujm h ALA 108 Ca 0.16 0.01 -0.05 0.00 0.00 0.00 0.00 54.91 55.04 1ujm h ALA 108 Cb 0.32 0.05 -0.01 0.00 0.00 0.00 0.00 17.79 18.14 1ujm h ALA 108 CO 0.00 -0.51 0.02 0.82 0.00 0.00 0.00 179.25 179.58 1ujm h ILE 109 N -0.03 1.25 -0.42 0.00 2.04 -1.17 -2.76 117.51 116.42 1ujm h ILE 109 Ca 0.02 -0.91 0.04 0.00 1.00 0.00 0.00 64.86 65.01 1ujm h ILE 109 Cb 0.06 1.21 -0.04 0.00 -0.74 0.00 0.00 36.82 37.31 1ujm h ILE 109 CO -0.04 0.30 0.18 1.23 0.00 0.00 0.00 178.15 179.81 1ujm h GLY 110 N 0.37 0.56 1.31 5.37 0.00 -0.49 -1.14 103.07 109.05 1ujm h GLY 110 Ca 0.09 -0.11 -0.06 0.00 0.00 0.00 0.00 47.33 47.25 1ujm h GLY 110 CO 0.01 0.06 0.11 -1.33 0.00 0.00 0.00 176.54 175.39 1ujm h GLY 111 N 0.36 0.92 0.75 4.60 0.00 -0.54 -0.82 103.07 108.33 1ujm h GLY 111 Ca 0.19 -0.55 -0.02 0.00 0.00 0.00 0.00 47.33 46.94 1ujm h GLY 111 CO -0.17 0.52 -0.02 -0.84 0.00 0.00 0.00 176.54 176.03 1ujm h THR 112 N 0.82 1.28 -0.08 4.70 2.02 -1.15 -2.84 112.91 117.65 1ujm h THR 112 Ca 0.17 -0.91 -0.11 0.00 0.77 0.00 0.00 66.41 66.34 1ujm h THR 112 Cb 0.34 1.64 -0.01 0.00 -1.74 0.00 0.00 68.15 68.38 1ujm h THR 112 CO 0.00 0.26 -0.43 -0.07 0.37 0.00 0.00 175.52 175.66 1ujm h LEU 113 N -0.08 0.19 -0.40 2.58 3.38 -1.12 -1.96 115.31 117.90 1ujm h LEU 113 Ca 0.03 -0.08 -0.00 0.00 0.09 0.00 0.00 57.88 57.92 1ujm h LEU 113 Cb 0.41 -0.05 -0.02 0.00 0.09 0.00 0.00 40.66 41.09 1ujm h LEU 113 CO 0.01 0.60 0.25 -1.13 0.09 0.00 0.00 178.44 178.26 1ujm h ASN 114 N 0.15 0.48 -0.06 -0.43 -1.24 -1.09 0.85 115.58 114.24 1ujm h ASN 114 Ca 0.01 -0.04 -0.15 0.00 0.71 0.00 0.00 56.30 56.83 1ujm h ASN 114 Cb 0.82 -0.12 -0.01 0.00 0.73 0.00 0.00 38.32 39.74 1ujm h ASN 114 CO 0.06 0.38 -0.46 0.00 -1.29 0.00 0.00 177.43 176.12 1ujm h ALA 115 N 1.12 0.76 -0.55 1.57 0.00 -1.37 -2.56 119.26 118.23 1ujm h ALA 115 Ca 0.15 -0.47 -0.09 0.00 0.00 0.00 0.00 54.91 54.49 1ujm h ALA 115 Cb -0.02 -0.10 -0.02 0.00 0.00 0.00 0.00 17.79 17.65 1ujm h ALA 115 CO -0.03 0.66 -0.03 -0.07 0.00 0.00 0.00 179.25 179.78 1ujm h LEU 116 N 0.49 0.95 -0.50 0.00 3.38 -0.93 -2.31 115.31 116.38 1ujm h LEU 116 Ca 0.03 -0.27 -0.14 0.00 0.09 0.00 0.00 57.88 57.59 1ujm h LEU 116 Cb 0.99 -0.25 -0.01 0.00 0.09 0.00 0.00 40.66 41.47 1ujm h LEU 116 CO 0.09 1.02 -0.28 0.03 0.09 0.00 0.00 178.44 179.39 1ujm h ARG 117 N 0.88 0.93 -0.53 1.13 3.08 -0.78 -1.29 114.38 117.80 1ujm h ARG 117 Ca 0.16 -0.42 0.03 0.00 0.07 0.00 0.00 59.98 59.81 1ujm h ARG 117 Cb 0.56 -0.02 -0.04 0.00 0.08 0.00 0.00 29.97 30.56 1ujm h ARG 117 CO 0.03 1.08 0.32 0.00 -1.07 0.00 0.00 179.97 180.33 1ujm h ALA 118 N 0.89 0.69 -0.57 0.04 0.00 -1.32 -0.80 119.26 118.19 1ujm h ALA 118 Ca 0.09 -0.01 -0.08 0.00 0.00 0.00 0.00 54.91 54.91 1ujm h ALA 118 Cb 0.85 -0.15 -0.02 0.00 0.00 0.00 0.00 17.79 18.46 1ujm h ALA 118 CO 0.07 0.03 0.04 0.00 0.00 0.00 0.00 179.25 179.39 1ujm h ALA 119 N 1.24 0.77 -0.22 0.00 0.00 -1.24 -1.95 119.26 117.86 1ujm h ALA 119 Ca 0.22 -0.28 -0.02 0.00 0.00 0.00 0.00 54.91 54.82 1ujm h ALA 119 Cb 0.03 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 17.59 1ujm h ALA 119 CO -0.10 0.57 0.03 0.00 0.00 0.00 0.00 179.25 179.75 1ujm h ALA 120 N 0.98 1.65 0.00 0.00 0.00 -0.71 -1.62 119.26 119.56 1ujm h ALA 120 Ca 0.17 -0.11 0.00 0.00 0.00 0.00 0.00 54.91 54.96 1ujm h ALA 120 Cb 0.50 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 18.19 1ujm h ALA 120 CO 0.02 0.27 -0.17 0.00 0.00 0.00 0.00 179.25 179.37 1ujm n ALA 121 N -2.49 2.56 -3.57 0.00 0.00 -0.35 -4.64 120.51 112.01 1ujm n ALA 121 Ca 0.00 -0.12 -0.40 0.00 0.00 0.00 0.00 53.44 52.92 1ujm n ALA 121 Cb 0.17 -1.38 -0.09 0.00 0.00 0.00 0.00 19.45 18.15 1ujm n ALA 121 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.50 178.49 1ujm s THR 122 N -3.07 4.08 0.48 0.00 2.01 -0.61 -4.98 115.64 113.55 1ujm s THR 122 Ca 0.11 -1.81 0.25 0.00 0.31 0.00 0.00 61.69 60.54 1ujm s THR 122 Cb 0.15 -3.70 0.43 0.00 0.01 0.00 0.00 72.50 69.40 1ujm s THR 122 CO 0.61 -0.75 1.87 -0.65 -0.69 0.00 0.00 174.62 175.00 1ujm h PRO 123 N 8.40 0.19 0.00 4.92 0.11 -1.82 -1.94 132.00 141.86 1ujm h PRO 123 Ca -0.20 -0.01 -0.04 0.00 0.11 0.00 0.00 66.00 65.86 1ujm h PRO 123 Cb 1.07 -0.04 -0.01 0.00 0.11 0.00 0.00 31.00 32.13 1ujm h PRO 123 CO 0.84 0.13 -0.18 0.66 -0.21 0.00 0.00 178.00 179.24 1ujm h SER 124 N 0.20 0.00 -2.78 -2.05 4.64 -1.92 -3.42 113.55 108.23 1ujm h SER 124 Ca 0.46 0.00 -0.56 0.00 -0.47 0.00 0.00 61.79 61.22 1ujm h SER 124 Cb 1.46 0.00 -0.03 0.00 -0.31 0.00 0.00 62.40 63.52 1ujm h SER 124 CO -0.10 0.18 1.01 -0.69 -0.87 0.00 0.00 176.83 176.35 1ujm s VAL 125 N -4.34 3.92 -0.04 0.95 1.01 -0.73 -4.19 120.40 116.97 1ujm s VAL 125 Ca -0.03 1.10 0.09 0.00 0.00 0.00 0.00 61.98 63.14 1ujm s VAL 125 Cb 0.14 -3.75 -0.13 0.00 0.00 0.00 0.00 36.38 32.64 1ujm s VAL 125 CO 0.64 -0.14 0.14 0.29 0.00 0.00 0.00 175.10 176.03 1ujm n LYS 126 N 6.99 1.19 -4.25 2.72 4.76 -0.17 -4.51 118.16 124.89 1ujm n LYS 126 Ca 0.16 -0.05 -0.17 0.00 -2.87 0.00 0.00 58.31 55.37 1ujm n LYS 126 Cb 0.44 -1.23 -0.14 0.00 -1.84 0.00 0.00 35.03 32.26 1ujm n LYS 126 CO 0.00 0.00 0.00 1.03 -1.37 0.00 0.00 177.40 177.06 1ujm s ARG 127 N -2.49 0.67 -0.03 1.97 1.81 -1.18 -1.04 118.95 118.65 1ujm s ARG 127 Ca -0.04 -0.50 -0.01 0.00 -1.72 0.00 0.00 55.73 53.47 1ujm s ARG 127 Cb 0.05 -0.61 0.03 0.00 -0.45 0.00 0.00 34.95 33.97 1ujm s ARG 127 CO 0.39 0.15 0.03 0.12 -0.68 0.00 0.00 175.30 175.32 1ujm s PHE 128 N -0.61 0.13 -0.11 -0.53 2.19 -0.04 -1.55 117.98 117.46 1ujm s PHE 128 Ca -0.00 0.13 0.03 0.00 0.33 0.00 0.00 56.93 57.42 1ujm s PHE 128 Cb -0.06 -0.37 0.00 0.00 -1.31 0.00 0.00 43.02 41.28 1ujm s PHE 128 CO 0.00 -0.14 -0.23 0.54 1.83 0.00 0.00 175.22 177.23 1ujm s VAL 129 N 1.44 2.01 -0.20 3.12 0.11 0.57 -1.92 120.40 125.52 1ujm s VAL 129 Ca -0.04 -0.98 -0.08 0.00 -2.93 0.00 0.00 61.98 57.95 1ujm s VAL 129 Cb -0.13 -1.75 -0.04 0.00 -1.53 0.00 0.00 36.38 32.93 1ujm s VAL 129 CO -0.03 0.55 0.08 -0.22 -3.33 0.00 0.00 175.10 172.15 1ujm s LEU 130 N 0.50 3.83 -0.56 2.54 2.96 -0.33 -1.23 118.68 126.39 1ujm s LEU 130 Ca -0.15 0.06 -0.24 0.00 -0.22 0.00 0.00 54.13 53.58 1ujm s LEU 130 Cb -0.17 -1.98 0.04 0.00 0.50 0.00 0.00 46.19 44.58 1ujm s LEU 130 CO 0.06 0.14 0.94 -0.89 -1.32 0.00 0.00 176.35 175.28 1ujm s THR 131 N 0.59 4.38 0.00 3.68 2.01 -0.85 -1.16 115.64 124.29 1ujm s THR 131 Ca 0.04 0.22 0.00 0.00 0.31 0.00 0.00 61.69 62.26 1ujm s THR 131 Cb -0.13 -4.55 0.00 0.00 0.01 0.00 0.00 72.50 67.83 1ujm s THR 131 CO 0.01 -1.15 0.00 -0.24 -0.69 0.00 0.00 174.62 172.55 1ujm n SER 132 N 7.49 0.00 -3.56 3.53 2.88 0.70 -4.90 113.62 119.76 1ujm n SER 132 Ca 0.01 0.00 -0.07 0.00 -1.33 0.00 0.00 58.87 57.48 1ujm n SER 132 Cb 0.47 0.00 -0.03 0.00 -0.75 0.00 0.00 64.21 63.91 1ujm n SER 132 CO 0.00 0.00 0.00 -0.55 -1.23 0.00 0.00 175.04 173.26 1ujm s SER 133 N -0.94 -0.26 0.58 -3.46 0.15 -1.26 -4.37 113.70 104.15 1ujm s SER 133 Ca 0.00 0.08 0.38 0.00 0.70 0.00 0.00 55.95 57.11 1ujm s SER 133 Cb 0.00 0.25 1.96 0.00 -1.71 0.00 0.00 66.02 66.52 1ujm s SER 133 CO 0.00 -0.38 2.17 0.71 1.20 0.00 0.00 173.24 176.94 1ujm h THR 134 N 2.11 0.00 0.00 6.45 1.35 -1.55 -0.90 112.91 120.36 1ujm h THR 134 Ca -0.15 -0.14 0.00 0.00 -0.55 0.00 0.00 66.41 65.57 1ujm h THR 134 Cb 1.19 1.06 0.00 0.00 -1.73 0.00 0.00 68.15 68.68 1ujm h THR 134 CO 0.27 0.00 0.00 1.33 -0.25 0.00 0.00 175.52 176.87 1ujm n VAL 135 N -2.94 1.06 1.01 6.82 0.24 -1.25 -0.57 118.33 122.71 1ujm n VAL 135 Ca -0.02 0.27 0.13 0.00 -2.04 0.00 0.00 64.34 62.68 1ujm n VAL 135 Cb 0.13 -1.05 0.59 0.00 -1.47 0.00 0.00 33.84 32.05 1ujm n VAL 135 CO 0.00 0.00 0.00 -1.54 -2.14 0.00 0.00 176.83 173.15 1ujm n SER 136 N -1.54 0.00 -0.07 -1.34 3.41 -0.34 -3.60 113.62 110.14 1ujm n SER 136 Ca 0.03 0.30 -0.12 0.00 -0.26 0.00 0.00 58.87 58.83 1ujm n SER 136 Cb 0.16 -0.43 -0.06 0.00 -0.26 0.00 0.00 64.21 63.62 1ujm n SER 136 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1ujm n ALA 137 N -1.43 1.86 -3.62 7.33 0.00 0.27 -0.35 120.51 124.56 1ujm n ALA 137 Ca 0.08 -0.56 -0.03 0.00 0.00 0.00 0.00 53.44 52.93 1ujm n ALA 137 Cb 0.27 0.24 -0.01 0.00 0.00 0.00 0.00 19.45 19.95 1ujm n ALA 137 CO 0.00 0.00 0.00 -0.48 0.00 0.00 0.00 177.50 177.02 1ujm s LEU 138 N -6.16 -0.17 -0.15 0.00 2.34 -0.48 -2.93 118.68 111.12 1ujm s LEU 138 Ca -0.19 -0.15 -0.07 0.00 0.06 0.00 0.00 54.13 53.79 1ujm s LEU 138 Cb 0.06 1.73 -0.04 0.00 -0.56 0.00 0.00 46.19 47.37 1ujm s LEU 138 CO 0.28 -0.51 0.10 -0.63 -1.06 0.00 0.00 176.35 174.53 1ujm s ILE 139 N -2.80 5.17 0.35 1.48 -1.09 -1.26 -3.82 121.20 119.22 1ujm s ILE 139 Ca 0.11 0.09 -0.27 0.00 -2.23 0.00 0.00 60.65 58.35 1ujm s ILE 139 Cb 0.01 -3.29 -0.12 0.00 -1.58 0.00 0.00 42.46 37.48 1ujm s ILE 139 CO -0.04 0.54 1.16 -2.65 -1.23 0.00 0.00 174.94 172.72 1ujm n PRO 140 N 2.71 1.75 -3.77 2.79 -0.02 -1.26 -4.99 135.00 132.21 1ujm n PRO 140 Ca -0.18 0.62 -0.30 0.00 -2.02 0.00 0.00 63.50 61.62 1ujm n PRO 140 Cb 0.53 -2.14 -0.14 0.00 -0.02 0.00 0.00 33.50 31.73 1ujm n PRO 140 CO 0.00 0.00 0.00 0.15 1.98 0.00 0.00 175.50 177.63 1ujm s LYS 141 N -1.85 1.25 0.16 -0.52 1.02 -1.26 -5.01 119.74 113.53 1ujm s LYS 141 Ca 0.58 -1.86 -0.34 0.00 0.02 0.00 0.00 55.97 54.37 1ujm s LYS 141 Cb -0.60 -2.44 -0.15 0.00 -0.52 0.00 0.00 37.83 34.12 1ujm s LYS 141 CO 0.60 -1.10 1.40 -2.30 -0.92 0.00 0.00 175.35 173.03 1ujm n PRO 142 N 3.83 1.65 -1.08 -1.68 -0.02 -1.26 -2.40 135.00 134.04 1ujm n PRO 142 Ca 0.06 0.59 -0.03 0.00 -2.02 0.00 0.00 63.50 62.10 1ujm n PRO 142 Cb 0.36 -2.26 -0.01 0.00 -0.02 0.00 0.00 33.50 31.58 1ujm n PRO 142 CO 0.00 0.00 0.00 0.09 1.98 0.00 0.00 175.50 177.57 1ujm n ASN 143 N 2.66 -5.31 -4.67 2.55 3.02 0.04 -4.88 115.26 108.67 1ujm n ASN 143 Ca 0.16 0.06 -0.39 0.00 -0.03 0.00 0.00 54.58 54.39 1ujm n ASN 143 Cb 0.26 -3.04 -0.07 0.00 -0.61 0.00 0.00 39.78 36.32 1ujm n ASN 143 CO 0.00 0.00 0.00 -0.69 -2.62 0.00 0.00 177.26 173.95 1ujm s VAL 144 N -1.43 5.15 0.54 2.41 1.01 -1.01 -4.99 120.40 122.08 1ujm s VAL 144 Ca 0.00 0.86 -0.06 0.00 0.00 0.00 0.00 61.98 62.78 1ujm s VAL 144 Cb 0.00 -3.79 -0.02 0.00 0.00 0.00 0.00 36.38 32.57 1ujm s VAL 144 CO 0.00 0.22 0.85 -1.61 0.00 0.00 0.00 175.10 174.56 1ujm s GLU 145 N 1.42 3.25 0.00 2.72 2.02 -1.26 -4.48 118.70 122.37 1ujm s GLU 145 Ca 0.22 0.12 0.00 0.00 0.02 0.00 0.00 54.97 55.33 1ujm s GLU 145 Cb -0.15 -2.32 0.00 0.00 0.10 0.00 0.00 34.13 31.76 1ujm s GLU 145 CO 0.09 -0.45 0.00 0.41 0.02 0.00 0.00 175.26 175.33 1ujm n GLY 146 N -2.43 0.40 3.45 -1.39 0.00 -1.26 -5.04 105.19 98.93 1ujm n GLY 146 Ca 0.03 -0.99 -0.39 0.00 0.00 0.00 0.00 46.02 44.66 1ujm n GLY 146 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1ujm s ILE 147 N -2.00 4.76 -0.13 -0.61 1.01 -1.26 -5.05 121.20 117.92 1ujm s ILE 147 Ca 0.00 -0.42 -0.01 0.00 0.00 0.00 0.00 60.65 60.23 1ujm s ILE 147 Cb 0.00 -3.45 0.03 0.00 0.01 0.00 0.00 42.46 39.05 1ujm s ILE 147 CO 0.00 0.02 -0.04 -0.47 0.00 0.00 0.00 174.94 174.45 1ujm s TYR 148 N 1.63 1.39 -0.24 3.97 5.04 -1.26 -1.02 117.35 126.87 1ujm s TYR 148 Ca 0.05 -0.78 -0.11 0.00 -2.44 0.00 0.00 57.07 53.79 1ujm s TYR 148 Cb -0.17 -1.17 -0.05 0.00 0.35 0.00 0.00 41.96 40.91 1ujm s TYR 148 CO 0.07 -0.53 0.17 -0.51 -1.34 0.00 0.00 175.55 173.41 1ujm s LEU 149 N 1.74 4.12 0.00 6.97 2.01 0.48 -4.98 118.68 129.02 1ujm s LEU 149 Ca 0.03 0.12 0.00 0.00 0.01 0.00 0.00 54.13 54.29 1ujm s LEU 149 Cb -0.14 -2.11 -0.00 0.00 0.01 0.00 0.00 46.19 43.95 1ujm s LEU 149 CO -0.07 0.06 0.01 -0.90 1.01 0.00 0.00 176.35 176.46 1ujm n ASP 150 N 4.29 2.03 0.00 2.29 5.68 -1.26 -0.43 116.55 129.15 1ujm n ASP 150 Ca -0.15 -1.60 0.05 0.00 -0.50 0.00 0.00 54.79 52.60 1ujm n ASP 150 Cb 0.52 0.14 0.29 0.00 -1.14 0.00 0.00 41.12 40.93 1ujm n ASP 150 CO 0.00 0.00 0.00 -0.62 -1.33 0.00 0.00 177.20 175.25 1ujm n GLU 151 N -0.32 0.20 -0.16 0.11 1.02 -1.26 -1.68 120.64 118.55 1ujm n GLU 151 Ca -0.05 0.14 0.08 0.00 -0.02 0.00 0.00 57.16 57.32 1ujm n GLU 151 Cb 0.17 -1.50 0.16 0.00 -0.02 0.00 0.00 31.44 30.25 1ujm n GLU 151 CO 0.00 0.00 0.00 1.63 1.18 0.00 0.00 177.13 179.94 1ujm n LYS 152 N -1.23 2.22 -2.95 3.49 5.02 -1.26 -4.92 118.16 118.54 1ujm n LYS 152 Ca 0.06 -1.97 -0.41 0.00 -2.02 0.00 0.00 58.31 53.97 1ujm n LYS 152 Cb 0.08 -1.35 -0.05 0.00 -0.02 0.00 0.00 35.03 33.69 1ujm n LYS 152 CO 0.00 0.00 0.00 -1.12 -0.52 0.00 0.00 177.40 175.76 1ujm s SER 153 N -1.11 6.81 -0.01 4.39 0.01 -0.67 -5.05 113.70 118.06 1ujm s SER 153 Ca 0.27 1.00 0.06 0.00 1.31 0.00 0.00 55.95 58.59 1ujm s SER 153 Cb 0.15 -2.42 -0.02 0.00 0.21 0.00 0.00 66.02 63.95 1ujm s SER 153 CO 0.21 -0.44 -0.19 0.26 0.41 0.00 0.00 173.24 173.48 1ujm s TRP 154 N 2.55 1.74 -1.50 2.43 0.52 -1.26 -4.36 118.94 119.06 1ujm s TRP 154 Ca 0.34 -0.33 -0.11 0.00 0.02 0.00 0.00 56.10 56.01 1ujm s TRP 154 Cb -0.16 -1.12 -0.05 0.00 -1.15 0.00 0.00 33.47 30.99 1ujm s TRP 154 CO 0.09 -0.02 2.66 -1.71 0.02 0.00 0.00 176.95 177.99 1ujm n ASN 155 N 2.56 6.93 0.12 2.95 2.85 0.52 -4.64 115.26 126.55 1ujm n ASN 155 Ca -0.15 -2.63 0.03 0.00 -0.11 0.00 0.00 54.58 51.72 1ujm n ASN 155 Cb 0.53 -1.54 0.43 0.00 1.24 0.00 0.00 39.78 40.44 1ujm n ASN 155 CO 0.00 0.00 0.00 -0.07 -2.11 0.00 0.00 177.26 175.08 1ujm h LEU 156 N 8.15 0.24 -1.76 1.20 3.38 -1.87 -2.42 115.31 122.23 1ujm h LEU 156 Ca 0.75 -0.04 -0.02 0.00 0.09 0.00 0.00 57.88 58.66 1ujm h LEU 156 Cb 0.38 -0.06 -0.00 0.00 0.09 0.00 0.00 40.66 41.07 1ujm h LEU 156 CO 1.80 0.33 -0.11 1.05 0.09 0.00 0.00 178.44 181.60 1ujm h GLU 157 N 0.26 0.00 -0.04 1.13 4.11 -1.96 -2.89 114.58 115.19 1ujm h GLU 157 Ca 0.06 0.00 -0.07 0.00 0.07 0.00 0.00 59.36 59.41 1ujm h GLU 157 Cb 0.25 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.49 1ujm h GLU 157 CO 0.01 0.11 -0.32 0.66 0.07 0.00 0.00 179.01 179.54 1ujm h SER 158 N 0.00 0.08 0.38 3.06 4.64 -1.78 -1.71 113.55 118.21 1ujm h SER 158 Ca -0.00 -0.02 -0.02 0.00 -0.47 0.00 0.00 61.79 61.28 1ujm h SER 158 Cb 0.43 -0.02 0.00 0.00 -0.31 0.00 0.00 62.40 62.50 1ujm h SER 158 CO 0.01 0.39 -0.20 0.40 -0.87 0.00 0.00 176.83 176.57 1ujm h ILE 159 N 0.07 0.59 0.08 0.95 2.04 -1.65 0.45 117.51 120.04 1ujm h ILE 159 Ca 0.01 0.00 -0.00 0.00 1.00 0.00 0.00 64.86 65.86 1ujm h ILE 159 Cb 0.60 0.59 0.00 0.00 -0.74 0.00 0.00 36.82 37.27 1ujm h ILE 159 CO 0.04 0.00 -0.04 -0.78 0.00 0.00 0.00 178.15 177.37 1ujm h ASP 160 N -0.54 -0.09 -1.00 1.72 3.58 -1.70 -3.00 116.42 115.38 1ujm h ASP 160 Ca -0.05 -0.35 0.22 0.00 0.42 0.00 0.00 57.03 57.27 1ujm h ASP 160 Cb 0.42 0.02 -0.11 0.00 1.72 0.00 0.00 39.33 41.38 1ujm h ASP 160 CO 0.07 0.31 0.61 0.50 -2.88 0.00 0.00 179.24 177.85 1ujm h LYS 161 N -0.52 0.66 -0.46 0.28 1.63 -1.31 0.79 116.57 117.64 1ujm h LYS 161 Ca -0.01 -0.04 -0.11 0.00 -0.85 0.00 0.00 60.65 59.64 1ujm h LYS 161 Cb 0.44 -0.15 -0.02 0.00 -0.60 0.00 0.00 32.23 31.90 1ujm h LYS 161 CO 0.02 0.43 -0.15 0.00 -3.45 0.00 0.00 179.45 176.30 1ujm h ALA 162 N 1.68 0.87 -0.08 5.00 0.00 -0.85 -1.56 119.26 124.33 1ujm h ALA 162 Ca 0.61 -0.35 0.00 0.00 0.00 0.00 0.00 54.91 55.17 1ujm h ALA 162 Cb 1.06 -0.17 0.00 0.00 0.00 0.00 0.00 17.79 18.67 1ujm h ALA 162 CO -0.42 0.64 0.00 0.36 0.00 0.00 0.00 179.25 179.83 1ujm n LYS 163 N -4.14 2.21 -0.01 0.00 2.85 -0.45 -4.50 118.16 114.13 1ujm n LYS 163 Ca 0.01 -1.77 -0.01 0.00 -1.05 0.00 0.00 58.31 55.49 1ujm n LYS 163 Cb 0.40 -1.47 -0.01 0.00 -0.65 0.00 0.00 35.03 33.30 1ujm n LYS 163 CO 0.00 0.00 0.00 0.25 -0.05 0.00 0.00 177.40 177.60 1ujm n THR 164 N 1.12 0.13 -1.74 0.58 -2.24 0.14 -5.05 114.28 107.23 1ujm n THR 164 Ca 0.16 -0.06 -0.40 0.00 -2.27 0.00 0.00 64.05 61.47 1ujm n THR 164 Cb 0.55 -0.78 0.02 0.00 -2.10 0.00 0.00 70.33 68.03 1ujm n THR 164 CO 0.00 0.00 0.00 0.18 -0.57 0.00 0.00 175.07 174.68 1ujm n LEU 165 N -2.31 4.93 -4.81 3.22 4.77 -0.59 -4.97 117.00 117.25 1ujm n LEU 165 Ca -0.03 1.07 -0.33 0.00 -0.03 0.00 0.00 56.01 56.69 1ujm n LEU 165 Cb 0.55 -1.57 0.00 0.00 -2.33 0.00 0.00 43.42 40.08 1ujm n LEU 165 CO 0.03 -0.44 0.71 -2.16 -1.33 0.00 0.00 177.39 174.21 1ujm s PRO 166 N -2.52 3.42 0.00 3.23 0.04 -1.26 -4.90 135.00 133.01 1ujm s PRO 166 Ca 0.64 1.20 0.07 0.00 0.04 0.00 0.00 61.00 62.96 1ujm s PRO 166 Cb -0.45 -2.05 0.34 0.00 0.04 0.00 0.00 34.50 32.38 1ujm s PRO 166 CO 0.55 -0.72 1.16 0.39 0.04 0.00 0.00 177.00 178.41 1ujm n GLU 167 N -1.87 0.06 0.18 4.56 1.02 -1.26 -1.69 120.64 121.64 1ujm n GLU 167 Ca 0.09 0.29 0.12 0.00 -0.02 0.00 0.00 57.16 57.64 1ujm n GLU 167 Cb 0.53 -1.50 0.16 0.00 -0.02 0.00 0.00 31.44 30.60 1ujm n GLU 167 CO 0.00 0.00 0.00 0.66 1.18 0.00 0.00 177.13 178.97 1ujm h SER 168 N 0.00 0.00 -2.59 1.62 4.64 -2.02 -3.45 113.55 111.74 1ujm h SER 168 Ca 0.00 -0.01 -0.53 0.00 -0.47 0.00 0.00 61.79 60.78 1ujm h SER 168 Cb 0.09 0.00 0.04 0.00 -0.31 0.00 0.00 62.40 62.22 1ujm h SER 168 CO 0.00 0.00 1.07 -0.62 -0.87 0.00 0.00 176.83 176.42 1ujm s ASP 169 N -5.80 6.47 0.59 4.97 2.15 -0.68 -4.85 116.67 119.52 1ujm s ASP 169 Ca 0.06 2.69 0.29 0.00 0.43 0.00 0.00 52.55 56.02 1ujm s ASP 169 Cb 0.07 -2.57 1.54 0.00 -0.30 0.00 0.00 42.92 41.66 1ujm s ASP 169 CO 0.69 -0.97 1.97 -0.65 -0.17 0.00 0.00 175.17 176.04 1ujm h PRO 170 N 8.39 0.00 -0.36 4.34 0.11 -1.90 -2.21 132.00 140.37 1ujm h PRO 170 Ca -0.45 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.66 1ujm h PRO 170 Cb 1.21 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.32 1ujm h PRO 170 CO 0.94 0.00 0.00 1.04 -0.21 0.00 0.00 178.00 179.77 1ujm n GLN 171 N -3.74 2.32 -0.30 1.05 6.02 -1.26 -4.64 117.38 116.84 1ujm n GLN 171 Ca 0.06 -2.06 0.07 0.00 -0.01 0.00 0.00 57.00 55.06 1ujm n GLN 171 Cb 0.55 -1.38 0.22 0.00 1.02 0.00 0.00 30.24 30.65 1ujm n GLN 171 CO 0.00 0.00 0.00 -0.22 -1.01 0.00 0.00 177.06 175.83 1ujm h LYS 172 N 3.15 0.64 -1.00 -1.09 3.64 -1.70 0.88 116.57 121.09 1ujm h LYS 172 Ca 0.00 -0.04 0.01 0.00 -1.27 0.00 0.00 60.65 59.35 1ujm h LYS 172 Cb 0.80 -0.14 -0.05 0.00 -0.41 0.00 0.00 32.23 32.43 1ujm h LYS 172 CO 0.00 0.42 0.66 1.03 -2.27 0.00 0.00 179.45 179.29 1ujm h SER 173 N 0.66 1.14 -0.36 4.20 0.87 -1.82 -0.53 113.55 117.70 1ujm h SER 173 Ca 0.46 -0.03 -0.11 0.00 -1.23 0.00 0.00 61.79 60.88 1ujm h SER 173 Cb 0.62 -0.28 -0.01 0.00 -0.44 0.00 0.00 62.40 62.29 1ujm h SER 173 CO -0.35 0.83 -0.19 0.25 -0.53 0.00 0.00 176.83 176.84 1ujm h LEU 174 N 1.35 0.80 -0.84 2.23 6.46 -1.30 -2.31 115.31 121.70 1ujm h LEU 174 Ca 0.37 -0.41 -0.04 0.00 -0.12 0.00 0.00 57.88 57.67 1ujm h LEU 174 Cb -0.15 -0.22 -0.03 0.00 -0.73 0.00 0.00 40.66 39.52 1ujm h LEU 174 CO -0.08 1.03 0.31 -0.50 -0.62 0.00 0.00 178.44 178.58 1ujm h TRP 175 N 0.56 1.18 -0.30 1.25 4.06 -0.38 0.25 115.95 122.58 1ujm h TRP 175 Ca 0.08 -0.09 -0.02 0.00 2.06 0.00 0.00 58.89 60.93 1ujm h TRP 175 Cb 0.74 -0.35 -0.01 0.00 -1.00 0.00 0.00 29.16 28.53 1ujm h TRP 175 CO 0.06 0.89 0.12 0.28 -3.56 0.00 0.00 178.44 176.23 1ujm h VAL 176 N 1.13 1.18 -0.55 1.49 2.07 -1.03 0.30 116.25 120.85 1ujm h VAL 176 Ca 0.26 -0.54 0.01 0.00 0.82 0.00 0.00 66.70 67.24 1ujm h VAL 176 Cb 0.21 0.98 -0.03 0.00 -1.52 0.00 0.00 31.29 30.94 1ujm h VAL 176 CO -0.02 0.19 0.36 0.22 0.02 0.00 0.00 177.57 178.34 1ujm h TYR 177 N 0.33 0.68 -0.79 1.57 5.03 -1.06 -0.90 116.97 121.84 1ujm h TYR 177 Ca 0.10 0.02 0.02 0.00 2.58 0.00 0.00 58.73 61.45 1ujm h TYR 177 Cb 0.18 -0.23 -0.04 0.00 1.55 0.00 0.00 36.73 38.19 1ujm h TYR 177 CO -0.01 0.43 0.51 0.00 -1.32 0.00 0.00 178.16 177.77 1ujm h ALA 178 N 1.20 1.02 -0.64 1.82 0.00 -0.10 -1.32 119.26 121.25 1ujm h ALA 178 Ca 0.20 -0.04 -0.05 0.00 0.00 0.00 0.00 54.91 55.02 1ujm h ALA 178 Cb -0.08 -0.29 -0.03 0.00 0.00 0.00 0.00 17.79 17.40 1ujm h ALA 178 CO -0.05 0.36 0.19 0.00 0.00 0.00 0.00 179.25 179.75 1ujm h ALA 179 N 1.31 0.83 -0.74 0.00 0.00 -0.48 -0.73 119.26 119.45 1ujm h ALA 179 Ca 0.30 -0.21 -0.01 0.00 0.00 0.00 0.00 54.91 54.99 1ujm h ALA 179 Cb -0.05 -0.24 -0.04 0.00 0.00 0.00 0.00 17.79 17.46 1ujm h ALA 179 CO -0.09 0.51 0.42 0.66 0.00 0.00 0.00 179.25 180.76 1ujm h SER 180 N 0.92 0.92 -0.28 0.00 4.64 -0.46 0.60 113.55 119.89 1ujm h SER 180 Ca 0.20 -0.09 -0.16 0.00 -0.47 0.00 0.00 61.79 61.28 1ujm h SER 180 Cb 0.31 -0.23 -0.00 0.00 -0.31 0.00 0.00 62.40 62.16 1ujm h SER 180 CO -0.00 0.74 -0.45 0.11 -0.87 0.00 0.00 176.83 176.35 1ujm h LYS 181 N 1.02 0.81 0.12 4.77 1.79 -1.07 -1.98 116.57 122.03 1ujm h LYS 181 Ca 0.26 -0.49 -0.01 0.00 -2.18 0.00 0.00 60.65 58.24 1ujm h LYS 181 Cb 0.01 0.05 0.00 0.00 -1.58 0.00 0.00 32.23 30.71 1ujm h LYS 181 CO -0.04 1.12 -0.06 1.15 -1.08 0.00 0.00 179.45 180.54 1ujm h THR 182 N 0.57 0.96 -0.84 -0.16 2.02 -0.89 -1.41 112.91 113.16 1ujm h THR 182 Ca 0.02 -0.34 -0.02 0.00 0.77 0.00 0.00 66.41 66.84 1ujm h THR 182 Cb 1.06 1.18 -0.04 0.00 -1.74 0.00 0.00 68.15 68.61 1ujm h THR 182 CO 0.10 0.08 0.44 -0.33 0.37 0.00 0.00 175.52 176.18 1ujm h GLU 183 N -0.32 1.20 -0.21 6.66 4.39 -0.94 -1.26 114.58 124.10 1ujm h GLU 183 Ca -0.02 -0.16 -0.01 0.00 0.34 0.00 0.00 59.36 59.52 1ujm h GLU 183 Cb 0.26 -0.22 -0.01 0.00 -0.10 0.00 0.00 28.75 28.68 1ujm h GLU 183 CO 0.03 0.90 0.09 0.00 -1.16 0.00 0.00 179.01 178.87 1ujm h ALA 184 N 1.23 0.27 -0.58 3.43 0.00 -1.27 -0.37 119.26 121.97 1ujm h ALA 184 Ca 0.29 -0.10 -0.09 0.00 0.00 0.00 0.00 54.91 55.01 1ujm h ALA 184 Cb 0.07 -0.08 -0.02 0.00 0.00 0.00 0.00 17.79 17.76 1ujm h ALA 184 CO -0.04 -0.15 -0.00 1.49 0.00 0.00 0.00 179.25 180.54 1ujm h GLU 185 N 0.19 1.01 -0.32 0.00 4.81 -1.08 -0.96 114.58 118.24 1ujm h GLU 185 Ca 0.07 -0.31 0.00 0.00 -0.13 0.00 0.00 59.36 58.99 1ujm h GLU 185 Cb 0.15 -0.10 -0.02 0.00 0.63 0.00 0.00 28.75 29.42 1ujm h GLU 185 CO -0.01 0.99 0.20 -0.07 -0.73 0.00 0.00 179.01 179.40 1ujm h LEU 186 N 0.93 0.37 -1.34 1.64 3.38 -1.08 -1.62 115.31 117.60 1ujm h LEU 186 Ca 0.17 -0.03 0.03 0.00 0.09 0.00 0.00 57.88 58.14 1ujm h LEU 186 Cb 0.54 -0.09 -0.04 0.00 0.09 0.00 0.00 40.66 41.16 1ujm h LEU 186 CO 0.03 0.30 0.47 0.00 0.09 0.00 0.00 178.44 179.32 1ujm h ALA 187 N 1.09 1.59 -0.27 1.53 0.00 -0.76 -0.05 119.26 122.39 1ujm h ALA 187 Ca 0.11 -0.04 -0.02 0.00 0.00 0.00 0.00 54.91 54.97 1ujm h ALA 187 Cb -0.02 -0.24 -0.01 0.00 0.00 0.00 0.00 17.79 17.52 1ujm h ALA 187 CO -0.02 0.34 0.09 0.00 0.00 0.00 0.00 179.25 179.67 1ujm h ALA 188 N 1.58 0.35 -0.19 0.00 0.00 -0.34 -1.21 119.26 119.46 1ujm h ALA 188 Ca 0.28 -0.14 -0.11 0.00 0.00 0.00 0.00 54.91 54.95 1ujm h ALA 188 Cb 0.05 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 17.72 1ujm h ALA 188 CO -0.08 -0.03 -0.35 -1.49 0.00 0.00 0.00 179.25 177.30 1ujm h TRP 189 N 0.28 0.47 -0.47 0.00 4.06 -0.75 -2.93 115.95 116.61 1ujm h TRP 189 Ca 0.09 -0.12 -0.04 0.00 2.06 0.00 0.00 58.89 60.88 1ujm h TRP 189 Cb 0.21 -0.11 -0.02 0.00 -1.00 0.00 0.00 29.16 28.25 1ujm h TRP 189 CO -0.00 0.71 0.14 -0.22 -3.56 0.00 0.00 178.44 175.51 1ujm h LYS 190 N 0.34 0.73 -1.27 0.49 3.64 -0.82 -1.58 116.57 118.11 1ujm h LYS 190 Ca 0.04 -0.16 0.00 0.00 -1.27 0.00 0.00 60.65 59.26 1ujm h LYS 190 Cb 0.78 -0.10 0.00 0.00 -0.41 0.00 0.00 32.23 32.50 1ujm h LYS 190 CO 0.06 0.70 0.00 0.34 -2.27 0.00 0.00 179.45 178.28 1ujm n PHE 191 N -4.52 0.00 0.00 1.91 -0.00 -0.47 -0.32 117.46 114.05 1ujm n PHE 191 Ca 0.01 0.00 0.00 0.00 -0.00 0.00 0.00 57.45 57.46 1ujm n PHE 191 Cb 0.19 -0.06 0.00 0.00 -0.00 0.00 0.00 39.48 39.61 1ujm n PHE 191 CO 0.00 0.00 0.00 -0.25 -0.00 0.00 0.00 176.76 176.51 1ujm n ASP 193 N 0.81 0.00 0.03 -2.13 9.92 -0.60 -0.95 116.55 123.64 1ujm n ASP 193 Ca 0.00 0.00 -0.22 0.00 -0.53 0.00 0.00 54.79 54.04 1ujm n ASP 193 Cb 0.00 0.00 -0.14 0.00 -0.64 0.00 0.00 41.12 40.34 1ujm n ASP 193 CO 0.00 0.00 0.00 -0.33 0.13 0.00 0.00 177.20 177.00 1ujm h GLU 194 N 0.00 0.30 0.00 -1.24 5.08 -0.94 -3.39 114.58 114.39 1ujm h GLU 194 Ca 0.00 -0.52 0.00 0.00 -1.00 0.00 0.00 59.36 57.84 1ujm h GLU 194 Cb 0.00 0.19 0.00 0.00 0.50 0.00 0.00 28.75 29.44 1ujm h GLU 194 CO 0.00 1.25 -1.27 0.09 -1.00 0.00 0.00 179.01 178.08 1ujm n ASN 195 N -3.73 0.62 -3.92 1.42 4.13 -0.13 -5.00 115.26 108.65 1ujm n ASN 195 Ca -0.26 0.22 -0.27 0.00 1.68 0.00 0.00 54.58 55.95 1ujm n ASN 195 Cb 0.99 0.87 -0.01 0.00 -1.54 0.00 0.00 39.78 40.09 1ujm n ASN 195 CO 0.00 0.00 0.00 0.29 0.28 0.00 0.00 177.26 177.83 1ujm n LYS 196 N -2.54 -2.85 -0.70 3.52 4.01 -1.25 -4.92 118.16 113.44 1ujm n LYS 196 Ca -0.01 0.40 -0.29 0.00 -0.51 0.00 0.00 58.31 57.90 1ujm n LYS 196 Cb 0.55 -4.38 0.22 0.00 -0.51 0.00 0.00 35.03 30.91 1ujm n LYS 196 CO 0.00 0.00 0.00 -1.25 -1.11 0.00 0.00 177.40 175.04 1ujm s PRO 197 N -6.51 -0.33 -0.59 1.97 0.04 -1.26 -4.89 135.00 123.43 1ujm s PRO 197 Ca 0.09 0.90 -0.04 0.00 0.04 0.00 0.00 61.00 61.99 1ujm s PRO 197 Cb -0.03 -1.62 0.09 0.00 0.04 0.00 0.00 34.50 32.97 1ujm s PRO 197 CO 0.89 -3.35 2.68 0.72 0.04 0.00 0.00 177.00 177.98 1ujm n HIS 198 N -4.66 1.80 -3.72 0.56 8.25 -1.26 -4.86 115.22 111.33 1ujm n HIS 198 Ca 0.05 -2.07 -0.13 0.00 -0.26 0.00 0.00 57.72 55.31 1ujm n HIS 198 Cb 0.54 -1.43 -0.07 0.00 1.12 0.00 0.00 29.99 30.16 1ujm n HIS 198 CO 0.00 0.00 0.00 -0.59 0.64 0.00 0.00 176.34 176.39 1ujm s PHE 199 N -1.79 -0.20 -0.09 4.41 -0.12 -1.26 -4.62 117.98 114.31 1ujm s PHE 199 Ca 0.58 0.17 -0.15 0.00 -0.05 0.00 0.00 56.93 57.48 1ujm s PHE 199 Cb 0.36 0.15 -0.05 0.00 -0.63 0.00 0.00 43.02 42.85 1ujm s PHE 199 CO -0.22 -0.50 0.38 0.99 -0.05 0.00 0.00 175.22 175.82 1ujm s THR 200 N -2.18 5.18 -0.10 -4.49 2.01 -0.21 -4.93 115.64 110.93 1ujm s THR 200 Ca -0.07 0.76 -0.02 0.00 0.31 0.00 0.00 61.69 62.67 1ujm s THR 200 Cb -0.02 -3.71 -0.03 0.00 0.01 0.00 0.00 72.50 68.75 1ujm s THR 200 CO -0.01 0.45 -0.02 -0.22 -0.69 0.00 0.00 174.62 174.13 1ujm s LEU 201 N -0.13 3.41 0.04 4.42 2.96 -1.26 -0.86 118.68 127.27 1ujm s LEU 201 Ca 0.22 0.05 -0.01 0.00 -0.22 0.00 0.00 54.13 54.16 1ujm s LEU 201 Cb -0.15 -1.78 -0.03 0.00 0.50 0.00 0.00 46.19 44.73 1ujm s LEU 201 CO 0.09 0.33 -0.02 0.20 -1.32 0.00 0.00 176.35 175.64 1ujm s ASN 202 N -0.61 0.41 -0.01 3.68 0.01 -0.81 -1.51 114.94 116.11 1ujm s ASN 202 Ca 0.10 -0.86 0.03 0.00 -0.71 0.00 0.00 52.86 51.41 1ujm s ASN 202 Cb -0.12 0.18 -0.01 0.00 0.41 0.00 0.00 41.25 41.72 1ujm s ASN 202 CO 0.02 -0.54 -0.09 0.00 -1.51 0.00 0.00 177.10 174.99 1ujm s ALA 203 N -3.35 0.73 -0.18 0.60 0.00 -0.07 -1.19 121.76 118.30 1ujm s ALA 203 Ca 0.02 -0.36 -0.05 0.00 0.00 0.00 0.00 51.96 51.56 1ujm s ALA 203 Cb 0.04 -0.20 -0.03 0.00 0.00 0.00 0.00 23.12 22.93 1ujm s ALA 203 CO -0.08 0.17 0.00 0.08 0.00 0.00 0.00 175.76 175.94 1ujm s VAL 204 N -0.15 4.14 -0.68 0.00 1.01 -0.31 0.13 120.40 124.54 1ujm s VAL 204 Ca 0.03 -0.26 0.01 0.00 0.00 0.00 0.00 61.98 61.76 1ujm s VAL 204 Cb -0.04 -2.85 0.17 0.00 0.00 0.00 0.00 36.38 33.65 1ujm s VAL 204 CO -0.00 0.45 0.49 -0.76 0.00 0.00 0.00 175.10 175.28 1ujm s LEU 205 N 0.66 4.99 0.56 3.92 1.02 0.12 -0.21 118.68 129.74 1ujm s LEU 205 Ca -0.00 -3.33 -0.16 0.00 0.02 0.00 0.00 54.13 50.66 1ujm s LEU 205 Cb -0.14 -1.76 -0.05 0.00 0.02 0.00 0.00 46.19 44.25 1ujm s LEU 205 CO 0.02 -0.23 1.03 -2.16 0.02 0.00 0.00 176.35 175.03 1ujm s PRO 206 N -0.75 3.58 0.00 1.29 0.04 -1.26 -0.44 135.00 137.46 1ujm s PRO 206 Ca 0.21 1.11 0.00 0.00 0.04 0.00 0.00 61.00 62.36 1ujm s PRO 206 Cb -0.15 -2.07 0.00 0.00 0.04 0.00 0.00 34.50 32.32 1ujm s PRO 206 CO -0.08 -0.59 0.00 -1.71 0.04 0.00 0.00 177.00 174.66 1ujm n ASN 207 N -1.84 0.00 -4.44 6.66 4.05 -0.78 -1.96 115.26 116.95 1ujm n ASN 207 Ca 0.08 0.00 -0.43 0.00 0.45 0.00 0.00 54.58 54.68 1ujm n ASN 207 Cb 0.53 0.00 -0.04 0.00 1.23 0.00 0.00 39.78 41.50 1ujm n ASN 207 CO 0.00 0.00 0.00 -0.47 -3.05 0.00 0.00 177.26 173.74 1ujm s TYR 208 N 2.89 2.73 -0.11 1.20 5.04 -0.08 -4.91 117.35 124.11 1ujm s TYR 208 Ca 0.00 -0.63 -0.30 0.00 -2.44 0.00 0.00 57.07 53.71 1ujm s TYR 208 Cb 0.00 -4.25 -0.02 0.00 0.35 0.00 0.00 41.96 38.04 1ujm s TYR 208 CO 0.00 -1.59 1.22 0.99 -1.34 0.00 0.00 175.55 174.83 1ujm s THR 209 N 3.82 4.29 -0.15 4.34 2.01 -1.26 -1.13 115.64 127.56 1ujm s THR 209 Ca 0.20 1.58 0.01 0.00 0.31 0.00 0.00 61.69 63.80 1ujm s THR 209 Cb -0.18 -4.02 0.01 0.00 0.01 0.00 0.00 72.50 68.32 1ujm s THR 209 CO 0.09 -0.07 -0.19 -0.63 -0.69 0.00 0.00 174.62 173.13 1ujm s ILE 210 N 2.86 2.29 -0.04 1.82 1.01 0.32 -3.60 121.20 125.85 1ujm s ILE 210 Ca 0.55 -0.89 -0.22 0.00 0.00 0.00 0.00 60.65 60.09 1ujm s ILE 210 Cb -0.23 -1.94 0.07 0.00 0.01 0.00 0.00 42.46 40.37 1ujm s ILE 210 CO 0.18 0.53 0.98 0.61 0.00 0.00 0.00 174.94 177.24 1ujm n GLY 211 N 4.19 0.25 3.73 6.18 0.00 -1.26 -1.08 105.19 117.20 1ujm n GLY 211 Ca -0.20 -0.98 -0.42 0.00 0.00 0.00 0.00 46.02 44.43 1ujm n GLY 211 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1ujm s THR 212 N -2.03 2.13 -0.65 2.61 2.01 -1.23 -4.06 115.64 114.43 1ujm s THR 212 Ca 0.23 0.10 -0.18 0.00 0.31 0.00 0.00 61.69 62.15 1ujm s THR 212 Cb -0.00 -3.06 0.12 0.00 0.01 0.00 0.00 72.50 69.57 1ujm s THR 212 CO -0.01 0.01 0.74 -0.63 -0.69 0.00 0.00 174.62 174.04 1ujm s ILE 213 N 0.66 4.92 0.27 1.82 1.01 -1.26 -4.92 121.20 123.71 1ujm s ILE 213 Ca 0.69 -1.25 0.01 0.00 0.00 0.00 0.00 60.65 60.09 1ujm s ILE 213 Cb -0.48 -4.51 0.27 0.00 0.01 0.00 0.00 42.46 37.74 1ujm s ILE 213 CO 0.39 -1.14 1.81 -0.26 0.00 0.00 0.00 174.94 175.73 1ujm h PHE 214 N 8.98 1.01 -2.75 3.97 0.05 -1.95 -3.33 116.94 122.92 1ujm h PHE 214 Ca -0.20 0.03 -0.60 0.00 3.82 0.00 0.00 57.97 61.01 1ujm h PHE 214 Cb 1.08 -0.31 -0.40 0.00 2.00 0.00 0.00 35.95 38.32 1ujm h PHE 214 CO 0.89 0.35 -0.79 0.34 -0.18 0.00 0.00 178.31 178.92 1ujm s ASP 215 N -5.58 3.09 0.54 2.17 3.68 -1.26 -4.98 116.67 114.33 1ujm s ASP 215 Ca -0.12 -3.16 0.27 0.00 2.13 0.00 0.00 52.55 51.66 1ujm s ASP 215 Cb 0.22 -0.95 1.42 0.00 -1.45 0.00 0.00 42.92 42.16 1ujm s ASP 215 CO 0.80 -0.17 1.98 1.55 0.13 0.00 0.00 175.17 179.45 1ujm h PRO 216 N 5.89 0.00 -0.85 4.34 0.13 -1.93 -2.11 132.00 137.46 1ujm h PRO 216 Ca 0.15 0.00 0.20 0.00 -0.87 0.00 0.00 66.00 65.49 1ujm h PRO 216 Cb 0.87 0.00 -0.12 0.00 0.13 0.00 0.00 31.00 31.88 1ujm h PRO 216 CO 0.50 0.00 0.32 0.93 -0.23 0.00 0.00 178.00 179.52 1ujm h GLU 217 N 0.00 0.34 0.00 0.86 4.39 -1.95 -3.19 114.58 115.04 1ujm h GLU 217 Ca 0.27 -0.02 0.00 0.00 0.34 0.00 0.00 59.36 59.95 1ujm h GLU 217 Cb 1.12 -0.08 0.00 0.00 -0.10 0.00 0.00 28.75 29.69 1ujm h GLU 217 CO -0.00 0.23 0.00 0.25 -1.16 0.00 0.00 179.01 178.32 1ujm n THR 218 N -5.09 0.27 -0.97 1.13 -2.24 -1.01 -4.76 114.28 101.60 1ujm n THR 218 Ca 0.20 -0.50 0.09 0.00 -2.27 0.00 0.00 64.05 61.57 1ujm n THR 218 Cb 0.60 1.04 0.23 0.00 -2.10 0.00 0.00 70.33 70.10 1ujm n THR 218 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1ujm n GLN 219 N -0.13 2.55 0.00 -0.78 6.02 -0.83 -4.65 117.38 119.57 1ujm n GLN 219 Ca 0.00 -2.74 0.15 0.00 -0.01 0.00 0.00 57.00 54.40 1ujm n GLN 219 Cb 0.16 -1.74 0.78 0.00 1.02 0.00 0.00 30.24 30.46 1ujm n GLN 219 CO 0.00 0.00 0.00 0.43 -1.01 0.00 0.00 177.06 176.48 1ujm n SER 220 N -0.68 0.00 -0.48 1.08 7.64 -1.23 -3.14 113.62 116.81 1ujm n SER 220 Ca 0.19 -0.29 0.13 0.00 1.01 0.00 0.00 58.87 59.91 1ujm n SER 220 Cb 0.81 -0.23 0.27 0.00 -1.01 0.00 0.00 64.21 64.04 1ujm n SER 220 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1ujm n GLY 221 N 1.20 -0.05 3.74 0.23 0.00 -1.26 -3.85 105.19 105.19 1ujm n GLY 221 Ca 0.16 -0.52 -0.30 0.00 0.00 0.00 0.00 46.02 45.36 1ujm n GLY 221 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1ujm s SER 222 N -2.31 2.25 0.21 1.61 1.04 -1.19 -4.73 113.70 110.59 1ujm s SER 222 Ca 0.26 0.62 -0.09 0.00 0.48 0.00 0.00 55.95 57.22 1ujm s SER 222 Cb 0.19 -0.90 0.24 0.00 0.10 0.00 0.00 66.02 65.65 1ujm s SER 222 CO 0.46 -3.30 1.81 0.71 0.98 0.00 0.00 173.24 173.89 1ujm h THR 223 N -2.02 0.97 -0.01 2.02 1.35 -1.90 -0.15 112.91 113.16 1ujm h THR 223 Ca -0.46 -0.23 -0.11 0.00 -0.55 0.00 0.00 66.41 65.06 1ujm h THR 223 Cb 1.29 0.23 -0.01 0.00 -1.73 0.00 0.00 68.15 67.92 1ujm h THR 223 CO 0.43 0.12 -0.49 0.28 -0.25 0.00 0.00 175.52 175.61 1ujm h SER 224 N 0.68 0.04 -0.40 5.36 0.02 -1.91 -2.71 113.55 114.62 1ujm h SER 224 Ca 0.30 -0.02 -0.01 0.00 -0.84 0.00 0.00 61.79 61.22 1ujm h SER 224 Cb 0.18 -0.01 -0.02 0.00 0.14 0.00 0.00 62.40 62.69 1ujm h SER 224 CO -0.18 0.52 0.20 1.23 -1.14 0.00 0.00 176.83 177.46 1ujm h GLY 225 N 1.45 0.61 -7.06 -3.77 0.00 -1.32 -3.41 103.07 89.57 1ujm h GLY 225 Ca -0.00 -0.30 -0.27 0.00 0.00 0.00 0.00 47.33 46.76 1ujm h GLY 225 CO 0.07 0.28 0.71 0.79 0.00 0.00 0.00 176.54 178.39 1ujm n TRP 226 N -4.70 0.85 0.00 5.60 8.01 -0.22 -4.75 117.44 122.23 1ujm n TRP 226 Ca 0.00 -0.51 0.00 0.00 -1.31 0.00 0.00 57.50 55.68 1ujm n TRP 226 Cb 0.10 -1.95 0.00 0.00 -2.01 0.00 0.00 31.31 27.46 1ujm n TRP 226 CO 0.00 0.00 0.00 0.45 -1.01 0.00 0.00 177.69 177.13 1ujm n SER 229 N 15.07 0.00 -0.08 -0.99 2.88 -1.26 -4.78 113.62 124.46 1ujm n SER 229 Ca 0.44 0.00 -0.08 0.00 -1.33 0.00 0.00 58.87 57.90 1ujm n SER 229 Cb 0.45 0.00 0.08 0.00 -0.75 0.00 0.00 64.21 63.98 1ujm n SER 229 CO 0.00 0.00 0.00 0.25 -1.23 0.00 0.00 175.04 174.06 1ujm h LEU 230 N 0.00 0.79 -1.15 2.46 5.85 -1.86 -0.83 115.31 120.57 1ujm h LEU 230 Ca 0.00 -0.30 0.04 0.00 0.84 0.00 0.00 57.88 58.45 1ujm h LEU 230 Cb 0.00 -0.22 -0.05 0.00 0.37 0.00 0.00 40.66 40.76 1ujm h LEU 230 CO 0.00 1.02 0.58 0.15 -0.34 0.00 0.00 178.44 179.85 1ujm h PHE 231 N 0.66 1.06 -0.03 1.25 3.57 -1.89 0.24 116.94 121.81 1ujm h PHE 231 Ca 0.08 0.03 0.00 0.00 3.53 0.00 0.00 57.97 61.61 1ujm h PHE 231 Cb 0.79 -0.35 0.00 0.00 2.79 0.00 0.00 35.95 39.18 1ujm h PHE 231 CO 0.04 0.61 0.00 0.09 -2.23 0.00 0.00 178.31 176.82 1ujm n ASN 232 N -4.45 0.16 0.00 0.41 3.02 -0.96 -4.87 115.26 108.56 1ujm n ASN 232 Ca 0.12 -1.86 0.00 0.00 -0.03 0.00 0.00 54.58 52.80 1ujm n ASN 232 Cb 0.12 -0.02 0.00 0.00 -0.61 0.00 0.00 39.78 39.27 1ujm n ASN 232 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1ujm n GLY 233 N 0.61 0.79 3.64 7.41 0.00 0.07 -5.03 105.19 112.69 1ujm n GLY 233 Ca 0.04 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.63 1ujm n GLY 233 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1ujm s GLU 234 N -0.43 4.12 -0.15 1.61 2.02 -0.36 -4.88 118.70 120.64 1ujm s GLU 234 Ca 0.00 1.15 -0.02 0.00 0.02 0.00 0.00 54.97 56.12 1ujm s GLU 234 Cb 0.00 -3.71 -0.02 0.00 0.10 0.00 0.00 34.13 30.51 1ujm s GLU 234 CO 0.00 -0.81 -0.09 0.08 0.02 0.00 0.00 175.26 174.45 1ujm s VAL 235 N 3.49 3.30 0.01 2.63 1.01 -1.26 -3.84 120.40 125.74 1ujm s VAL 235 Ca 0.45 -0.56 -0.06 0.00 0.00 0.00 0.00 61.98 61.80 1ujm s VAL 235 Cb -0.13 -2.42 -0.00 0.00 0.00 0.00 0.00 36.38 33.83 1ujm s VAL 235 CO 0.12 0.50 0.11 -0.94 0.00 0.00 0.00 175.10 174.89 1ujm s SER 236 N 0.52 0.08 0.38 3.32 1.04 -1.26 -5.03 113.70 112.75 1ujm s SER 236 Ca -0.07 -0.29 0.11 0.00 0.48 0.00 0.00 55.95 56.18 1ujm s SER 236 Cb -0.15 0.19 0.89 0.00 0.10 0.00 0.00 66.02 67.05 1ujm s SER 236 CO 0.03 -0.38 1.90 -0.65 0.98 0.00 0.00 173.24 175.12 1ujm h PRO 237 N 4.24 0.58 -0.73 4.02 0.11 -1.99 0.19 132.00 138.42 1ujm h PRO 237 Ca -0.31 -0.03 0.02 0.00 0.11 0.00 0.00 66.00 65.78 1ujm h PRO 237 Cb 1.19 -0.13 -0.04 0.00 0.11 0.00 0.00 31.00 32.14 1ujm h PRO 237 CO 0.42 0.38 0.48 0.00 -0.21 0.00 0.00 178.00 179.07 1ujm h ALA 238 N 1.62 1.51 0.09 -0.75 0.00 -1.99 0.15 119.26 119.89 1ujm h ALA 238 Ca 0.40 -0.05 -0.00 0.00 0.00 0.00 0.00 54.91 55.26 1ujm h ALA 238 Cb 0.71 -0.28 0.00 0.00 0.00 0.00 0.00 17.79 18.22 1ujm h ALA 238 CO -0.16 0.44 -0.05 1.25 0.00 0.00 0.00 179.25 180.73 1ujm h LEU 239 N 0.95 -0.11 -2.32 0.00 5.85 -1.08 -3.16 115.31 115.44 1ujm h LEU 239 Ca 0.27 -0.45 -0.00 0.00 0.84 0.00 0.00 57.88 58.54 1ujm h LEU 239 Cb -0.06 0.03 -0.00 0.00 0.37 0.00 0.00 40.66 41.00 1ujm h LEU 239 CO -0.07 0.44 -0.01 0.00 -0.34 0.00 0.00 178.44 178.46 1ujm h ALA 240 N 0.08 1.03 0.00 1.25 0.00 -1.06 -3.45 119.26 117.11 1ujm h ALA 240 Ca -0.01 -0.01 -0.40 0.00 0.00 0.00 0.00 54.91 54.49 1ujm h ALA 240 Cb 0.55 -0.00 0.03 0.00 0.00 0.00 0.00 17.79 18.37 1ujm h ALA 240 CO 0.02 0.01 2.12 -0.11 0.00 0.00 0.00 179.25 181.29 1ujm n LEU 241 N -3.14 3.44 -4.06 0.00 7.94 0.49 -5.05 117.00 116.62 1ujm n LEU 241 Ca -0.02 -2.42 -0.11 0.00 -1.11 0.00 0.00 56.01 52.36 1ujm n LEU 241 Cb 0.17 -0.94 -0.06 0.00 0.53 0.00 0.00 43.42 43.13 1ujm n LEU 241 CO 0.24 -0.22 0.09 -2.16 -1.11 0.00 0.00 177.39 174.22 1ujm s PRO 243 N 4.45 1.55 0.36 1.96 0.04 -1.26 -5.07 135.00 137.03 1ujm s PRO 243 Ca 0.39 -1.43 -0.28 0.00 0.04 0.00 0.00 61.00 59.72 1ujm s PRO 243 Cb 0.10 0.43 -0.11 0.00 0.04 0.00 0.00 34.50 34.96 1ujm s PRO 243 CO 0.05 -0.62 1.45 -2.14 0.04 0.00 0.00 177.00 175.77 1ujm s PRO 244 N -3.85 4.18 0.00 0.56 0.02 -1.26 -4.95 135.00 129.70 1ujm s PRO 244 Ca 0.27 2.48 0.00 0.00 0.02 0.00 0.00 61.00 63.77 1ujm s PRO 244 Cb 0.01 -3.00 0.00 0.00 0.02 0.00 0.00 34.50 31.53 1ujm s PRO 244 CO 0.12 -0.45 0.00 0.00 -0.33 0.00 0.00 177.00 176.34 1ujm n GLN 245 N 0.68 0.00 -4.01 5.54 10.64 -0.92 -4.57 117.38 124.75 1ujm n GLN 245 Ca 0.01 0.00 -0.35 0.00 -1.83 0.00 0.00 57.00 54.83 1ujm n GLN 245 Cb 0.40 0.00 -0.06 0.00 -0.86 0.00 0.00 30.24 29.71 1ujm n GLN 245 CO 0.00 0.00 0.00 0.71 -1.83 0.00 0.00 177.06 175.94 1ujm s TYR 246 N -2.24 3.45 0.41 2.61 1.51 -1.26 -0.77 117.35 121.06 1ujm s TYR 246 Ca 0.00 0.37 0.08 0.00 -1.01 0.00 0.00 57.07 56.50 1ujm s TYR 246 Cb 0.00 -1.85 -0.01 0.00 -0.11 0.00 0.00 41.96 39.99 1ujm s TYR 246 CO 0.00 0.64 0.42 1.52 -1.11 0.00 0.00 175.55 177.01 1ujm s TYR 247 N -1.12 2.76 -0.26 2.71 1.13 -0.02 -0.90 117.35 121.65 1ujm s TYR 247 Ca 0.19 -0.45 -0.20 0.00 -1.41 0.00 0.00 57.07 55.21 1ujm s TYR 247 Cb -0.12 -2.19 0.07 0.00 -1.10 0.00 0.00 41.96 38.63 1ujm s TYR 247 CO 0.09 -0.16 0.68 0.54 -2.51 0.00 0.00 175.55 174.19 1ujm s VAL 248 N -2.42 -0.00 0.36 -3.49 0.11 -0.28 -1.57 120.40 113.10 1ujm s VAL 248 Ca 0.49 0.00 -0.28 0.00 -2.93 0.00 0.00 61.98 59.26 1ujm s VAL 248 Cb -0.05 -0.96 -0.10 0.00 -1.53 0.00 0.00 36.38 33.74 1ujm s VAL 248 CO 0.29 0.00 1.36 -0.55 -3.33 0.00 0.00 175.10 172.87 1ujm s SER 249 N 0.93 6.56 0.46 3.54 0.15 -1.26 -0.53 113.70 123.55 1ujm s SER 249 Ca -0.04 2.79 0.15 0.00 0.70 0.00 0.00 55.95 59.55 1ujm s SER 249 Cb -0.05 -2.65 1.07 0.00 -1.71 0.00 0.00 66.02 62.67 1ujm s SER 249 CO -0.08 -0.69 2.03 0.00 1.20 0.00 0.00 173.24 175.69 1ujm h ALA 250 N 3.14 1.77 -0.22 5.45 0.00 -1.44 -1.37 119.26 126.58 1ujm h ALA 250 Ca -0.50 -0.13 -0.04 0.00 0.00 0.00 0.00 54.91 54.25 1ujm h ALA 250 Cb 1.23 -0.02 -0.01 0.00 0.00 0.00 0.00 17.79 18.99 1ujm h ALA 250 CO 0.64 0.17 0.00 0.28 0.00 0.00 0.00 179.25 180.35 1ujm h VAL 251 N 0.00 1.25 -0.33 0.00 2.07 -1.90 -1.98 116.25 115.36 1ujm h VAL 251 Ca -0.00 -0.88 -0.09 0.00 0.82 0.00 0.00 66.70 66.55 1ujm h VAL 251 Cb 0.25 1.39 -0.02 0.00 -1.52 0.00 0.00 31.29 31.39 1ujm h VAL 251 CO 0.02 0.27 -0.16 0.44 0.02 0.00 0.00 177.57 178.16 1ujm h ASP 252 N 0.16 0.59 -0.58 0.57 3.32 -1.80 -1.46 116.42 117.23 1ujm h ASP 252 Ca 0.06 -0.18 -0.05 0.00 0.02 0.00 0.00 57.03 56.89 1ujm h ASP 252 Cb 0.40 -0.16 -0.03 0.00 0.22 0.00 0.00 39.33 39.76 1ujm h ASP 252 CO 0.01 0.77 0.19 0.40 -1.72 0.00 0.00 179.24 178.89 1ujm h ILE 253 N 0.54 1.23 -0.43 0.35 1.08 -1.13 0.36 117.51 119.53 1ujm h ILE 253 Ca 0.09 -0.80 -0.05 0.00 -0.39 0.00 0.00 64.86 63.71 1ujm h ILE 253 Cb 0.58 0.55 -0.02 0.00 -3.07 0.00 0.00 36.82 34.87 1ujm h ILE 253 CO 0.04 0.31 0.07 1.23 -0.69 0.00 0.00 178.15 179.11 1ujm h GLY 254 N 1.02 0.76 1.13 5.37 0.00 -0.89 -2.30 103.07 108.16 1ujm h GLY 254 Ca 0.20 -0.51 -0.05 0.00 0.00 0.00 0.00 47.33 46.97 1ujm h GLY 254 CO -0.01 0.47 0.24 1.41 0.00 0.00 0.00 176.54 178.65 1ujm h LEU 255 N 0.56 1.02 -0.85 3.11 3.38 -0.51 -1.59 115.31 120.42 1ujm h LEU 255 Ca 0.13 -0.18 -0.04 0.00 0.09 0.00 0.00 57.88 57.89 1ujm h LEU 255 Cb 0.38 -0.27 -0.04 0.00 0.09 0.00 0.00 40.66 40.82 1ujm h LEU 255 CO 0.01 0.93 0.39 -0.07 0.09 0.00 0.00 178.44 179.79 1ujm h LEU 256 N 1.06 1.11 -0.35 1.67 3.38 -0.07 0.22 115.31 122.33 1ujm h LEU 256 Ca 0.24 -0.15 -0.06 0.00 0.09 0.00 0.00 57.88 58.00 1ujm h LEU 256 Cb 0.27 -0.29 -0.01 0.00 0.09 0.00 0.00 40.66 40.72 1ujm h LEU 256 CO -0.01 0.95 -0.01 0.45 0.09 0.00 0.00 178.44 179.91 1ujm h HIS 257 N 1.20 0.69 -0.41 1.13 3.86 -1.12 -1.61 115.15 118.90 1ujm h HIS 257 Ca 0.29 -0.12 0.06 0.00 -1.16 0.00 0.00 60.37 59.43 1ujm h HIS 257 Cb 0.15 -0.18 -0.05 0.00 1.06 0.00 0.00 27.41 28.38 1ujm h HIS 257 CO 0.02 0.75 0.11 1.25 0.86 0.00 0.00 177.93 180.91 1ujm h LEU 258 N 0.44 0.07 -0.58 2.43 5.85 -0.88 -1.05 115.31 121.59 1ujm h LEU 258 Ca 0.10 0.06 0.03 0.00 0.84 0.00 0.00 57.88 58.91 1ujm h LEU 258 Cb 0.48 0.07 -0.04 0.00 0.37 0.00 0.00 40.66 41.54 1ujm h LEU 258 CO 0.02 0.07 0.35 1.23 -0.34 0.00 0.00 178.44 179.78 1ujm h GLY 259 N 0.25 0.83 2.00 3.75 0.00 -0.75 -0.94 103.07 108.21 1ujm h GLY 259 Ca 0.20 -0.26 -0.03 0.00 0.00 0.00 0.00 47.33 47.23 1ujm h GLY 259 CO -0.24 0.22 -0.16 0.00 0.00 0.00 0.00 176.54 176.37 1ujm h LEU 261 N 0.00 0.00 0.00 0.00 3.38 -0.19 -3.42 115.31 115.08 1ujm h LEU 261 Ca -0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 1ujm h LEU 261 Cb 0.30 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.05 1ujm h LEU 261 CO 0.02 0.81 -0.15 1.33 0.09 0.00 0.00 178.44 180.54 1ujm n VAL 262 N -3.22 0.00 -2.78 1.22 0.24 -0.46 -4.53 118.33 108.80 1ujm n VAL 262 Ca -0.03 -0.25 -0.42 0.00 -2.04 0.00 0.00 64.34 61.60 1ujm n VAL 262 Cb 0.89 0.85 -0.03 0.00 -1.47 0.00 0.00 33.84 34.07 1ujm n VAL 262 CO 0.00 0.00 0.00 -0.76 -2.14 0.00 0.00 176.83 173.93 1ujm s LEU 263 N -1.45 4.12 0.34 1.34 1.43 -0.09 -0.15 118.68 124.22 1ujm s LEU 263 Ca 0.00 1.24 0.02 0.00 -1.03 0.00 0.00 54.13 54.37 1ujm s LEU 263 Cb 0.00 -3.37 0.62 0.00 0.03 0.00 0.00 46.19 43.47 1ujm s LEU 263 CO 0.00 -0.55 1.98 1.55 0.23 0.00 0.00 176.35 179.55 1ujm h PRO 264 N 7.48 0.87 0.00 1.29 0.13 -1.89 -2.67 132.00 137.22 1ujm h PRO 264 Ca -0.23 -0.05 0.00 0.00 -0.87 0.00 0.00 66.00 64.85 1ujm h PRO 264 Cb 1.09 -0.20 0.00 0.00 0.13 0.00 0.00 31.00 32.02 1ujm h PRO 264 CO 0.91 0.57 0.00 1.04 -0.23 0.00 0.00 178.00 180.29 1ujm n GLN 265 N -4.45 0.93 -3.83 0.86 6.02 -1.26 -4.60 117.38 111.05 1ujm n GLN 265 Ca 0.09 0.00 -0.36 0.00 -0.01 0.00 0.00 57.00 56.72 1ujm n GLN 265 Cb 0.11 -1.29 -0.12 0.00 1.02 0.00 0.00 30.24 29.95 1ujm n GLN 265 CO 0.00 0.00 0.00 0.42 -1.01 0.00 0.00 177.06 176.47 1ujm s ILE 266 N -2.00 3.17 -0.02 5.09 -1.09 -1.01 -5.08 121.20 120.27 1ujm s ILE 266 Ca 0.26 -1.85 -0.01 0.00 -2.23 0.00 0.00 60.65 56.82 1ujm s ILE 266 Cb 0.12 -3.07 0.01 0.00 -1.58 0.00 0.00 42.46 37.94 1ujm s ILE 266 CO 0.20 -0.51 0.04 -1.61 -1.23 0.00 0.00 174.94 171.83 1ujm s GLU 267 N 1.17 0.02 -1.45 2.79 2.02 -1.26 -4.88 118.70 117.11 1ujm s GLU 267 Ca 0.04 0.10 -0.10 0.00 0.02 0.00 0.00 54.97 55.04 1ujm s GLU 267 Cb -0.22 -0.06 0.05 0.00 0.10 0.00 0.00 34.13 34.00 1ujm s GLU 267 CO -0.03 -0.06 0.95 0.54 0.02 0.00 0.00 175.26 176.68 1ujm n ARG 268 N 3.42 -5.81 -4.21 1.61 1.74 -0.57 -4.99 116.66 107.85 1ujm n ARG 268 Ca -0.17 0.65 -0.25 0.00 -0.77 0.00 0.00 57.85 57.30 1ujm n ARG 268 Cb 0.57 -5.49 -0.07 0.00 -1.02 0.00 0.00 32.46 26.44 1ujm n ARG 268 CO 0.00 0.00 0.00 1.03 -1.52 0.00 0.00 177.63 177.14 1ujm s ARG 269 N -6.39 2.46 -0.32 5.56 1.81 -1.26 -5.00 118.95 115.80 1ujm s ARG 269 Ca 0.48 -1.15 -0.01 0.00 -1.72 0.00 0.00 55.73 53.33 1ujm s ARG 269 Cb -0.24 -2.35 0.07 0.00 -0.45 0.00 0.00 34.95 31.98 1ujm s ARG 269 CO 0.81 0.43 0.03 1.03 -0.68 0.00 0.00 175.30 176.93 1ujm s ARG 270 N -3.17 2.26 -0.41 3.54 0.52 -1.26 -0.89 118.95 119.53 1ujm s ARG 270 Ca 0.29 -1.43 -0.17 0.00 -0.52 0.00 0.00 55.73 53.90 1ujm s ARG 270 Cb -0.09 -3.24 0.02 0.00 0.52 0.00 0.00 34.95 32.16 1ujm s ARG 270 CO 0.20 -0.73 0.41 0.08 0.02 0.00 0.00 175.30 175.28 1ujm s VAL 271 N 1.19 5.12 0.03 3.52 1.01 0.12 -4.80 120.40 126.58 1ujm s VAL 271 Ca -0.02 -0.35 -0.30 0.00 0.00 0.00 0.00 61.98 61.31 1ujm s VAL 271 Cb -0.20 -4.00 -0.05 0.00 0.00 0.00 0.00 36.38 32.12 1ujm s VAL 271 CO -0.03 -0.38 1.17 -0.31 0.00 0.00 0.00 175.10 175.56 1ujm s TYR 272 N 2.07 3.42 -1.07 5.22 2.02 -1.26 0.14 117.35 127.88 1ujm s TYR 272 Ca 0.11 1.34 -0.06 0.00 -0.37 0.00 0.00 57.07 58.09 1ujm s TYR 272 Cb -0.17 -3.38 0.28 0.00 -0.40 0.00 0.00 41.96 38.29 1ujm s TYR 272 CO 0.13 -1.11 1.22 0.41 -1.57 0.00 0.00 175.55 174.62 1ujm n GLY 273 N 3.20 4.60 2.60 0.71 0.00 0.41 -4.77 105.19 111.94 1ujm n GLY 273 Ca 0.09 -2.63 -0.29 0.00 0.00 0.00 0.00 46.02 43.19 1ujm n GLY 273 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1ujm s THR 274 N -1.92 0.68 -0.08 2.61 -4.23 -1.26 -1.86 115.64 109.58 1ujm s THR 274 Ca 0.31 -1.89 -0.25 0.00 -1.18 0.00 0.00 61.69 58.68 1ujm s THR 274 Cb -0.03 -1.49 -0.27 0.00 1.34 0.00 0.00 72.50 72.05 1ujm s THR 274 CO -0.01 -0.89 0.90 0.00 -0.54 0.00 0.00 174.62 174.08 1ujm h ALA 275 N 7.18 -0.01 -2.28 3.99 0.00 -1.63 -3.49 119.26 123.01 1ujm h ALA 275 Ca -0.02 -0.55 0.19 0.00 0.00 0.00 0.00 54.91 54.54 1ujm h ALA 275 Cb 0.96 0.03 -0.08 0.00 0.00 0.00 0.00 17.79 18.71 1ujm h ALA 275 CO 0.39 0.14 0.51 0.20 0.00 0.00 0.00 179.25 180.48 1ujm s GLY 276 N -4.17 -0.24 0.56 0.00 0.00 -1.23 -4.99 107.32 97.26 1ujm s GLY 276 Ca -0.16 0.15 -0.03 0.00 0.00 0.00 0.00 44.72 44.67 1ujm s GLY 276 CO 0.75 0.04 0.83 -0.51 0.00 0.00 0.00 173.10 174.21 1ujm s THR 277 N -3.21 3.36 0.09 0.90 -4.23 -1.26 -0.84 115.64 110.44 1ujm s THR 277 Ca 0.13 -0.29 -0.27 0.00 -1.18 0.00 0.00 61.69 60.07 1ujm s THR 277 Cb -0.01 -3.31 0.08 0.00 1.34 0.00 0.00 72.50 70.60 1ujm s THR 277 CO 0.02 -0.27 0.98 0.72 -0.54 0.00 0.00 174.62 175.53 1ujm s PHE 278 N -2.87 -0.17 0.21 3.99 -0.12 0.05 -4.80 117.98 114.27 1ujm s PHE 278 Ca 0.54 -0.07 -0.08 0.00 -0.05 0.00 0.00 56.93 57.27 1ujm s PHE 278 Cb -0.10 0.60 -0.02 0.00 -0.63 0.00 0.00 43.02 42.87 1ujm s PHE 278 CO 0.42 -0.69 0.32 0.16 -0.05 0.00 0.00 175.22 175.38 1ujm s ASP 279 N -2.82 0.02 0.63 1.98 3.84 -1.26 -2.17 116.67 116.89 1ujm s ASP 279 Ca 0.11 -1.05 0.36 0.00 -0.00 0.00 0.00 52.55 51.97 1ujm s ASP 279 Cb -0.01 0.48 2.07 0.00 -1.38 0.00 0.00 42.92 44.09 1ujm s ASP 279 CO -0.01 -0.98 2.28 -0.50 -0.00 0.00 0.00 175.17 175.95 1ujm h TRP 280 N 2.44 0.00 0.03 2.11 4.06 -1.97 -1.76 115.95 120.86 1ujm h TRP 280 Ca -0.31 0.00 -0.22 0.00 2.06 0.00 0.00 58.89 60.43 1ujm h TRP 280 Cb 1.24 0.00 -0.01 0.00 -1.00 0.00 0.00 29.16 29.39 1ujm h TRP 280 CO 0.38 0.00 -1.00 -0.91 -3.56 0.00 0.00 178.44 173.36 1ujm h ASN 281 N 0.00 0.22 0.64 -3.49 2.35 -1.96 -1.05 115.58 112.29 1ujm h ASN 281 Ca 0.01 -0.21 -0.12 0.00 -0.55 0.00 0.00 56.30 55.43 1ujm h ASN 281 Cb 0.08 -0.07 -0.02 0.00 0.05 0.00 0.00 38.32 38.36 1ujm h ASN 281 CO -0.00 1.08 -0.57 0.71 -1.65 0.00 0.00 177.43 177.00 1ujm h THR 282 N 0.07 1.36 -0.18 2.81 1.35 -1.74 -1.08 112.91 115.50 1ujm h THR 282 Ca -0.06 -2.00 -0.06 0.00 -0.55 0.00 0.00 66.41 63.74 1ujm h THR 282 Cb 1.69 2.09 -0.00 0.00 -1.73 0.00 0.00 68.15 70.20 1ujm h THR 282 CO 0.15 0.56 -0.13 0.58 -0.25 0.00 0.00 175.52 176.43 1ujm h VAL 283 N 0.00 1.32 -0.73 6.82 2.07 -1.28 -2.05 116.25 122.40 1ujm h VAL 283 Ca -0.01 -1.24 -0.04 0.00 0.82 0.00 0.00 66.70 66.24 1ujm h VAL 283 Cb 1.05 1.74 -0.03 0.00 -1.52 0.00 0.00 31.29 32.52 1ujm h VAL 283 CO 0.07 0.37 0.30 -0.07 0.02 0.00 0.00 177.57 178.26 1ujm h LEU 284 N 0.08 0.99 -0.81 2.57 3.38 -1.05 -0.77 115.31 119.71 1ujm h LEU 284 Ca 0.04 -0.14 0.02 0.00 0.09 0.00 0.00 57.88 57.88 1ujm h LEU 284 Cb 0.64 -0.26 -0.05 0.00 0.09 0.00 0.00 40.66 41.09 1ujm h LEU 284 CO 0.03 0.88 0.53 0.00 0.09 0.00 0.00 178.44 179.97 1ujm h ALA 285 N 1.26 1.05 -0.53 1.53 0.00 -1.09 -0.46 119.26 121.02 1ujm h ALA 285 Ca 0.25 -0.04 -0.11 0.00 0.00 0.00 0.00 54.91 55.01 1ujm h ALA 285 Cb 0.20 -0.30 -0.02 0.00 0.00 0.00 0.00 17.79 17.67 1ujm h ALA 285 CO -0.02 0.38 -0.09 1.15 0.00 0.00 0.00 179.25 180.66 1ujm h THR 286 N 1.04 1.27 -0.25 0.00 2.02 -0.74 -1.96 112.91 114.29 1ujm h THR 286 Ca 0.31 -1.24 0.02 0.00 0.77 0.00 0.00 66.41 66.28 1ujm h THR 286 Cb -0.04 0.97 -0.03 0.00 -1.74 0.00 0.00 68.15 67.32 1ujm h THR 286 CO -0.10 0.44 0.10 -0.26 0.37 0.00 0.00 175.52 176.07 1ujm h PHE 287 N 0.88 0.18 -0.61 3.16 0.04 -0.45 -0.39 116.94 119.75 1ujm h PHE 287 Ca 0.14 0.01 0.00 0.00 2.80 0.00 0.00 57.97 60.92 1ujm h PHE 287 Cb 0.65 -0.04 -0.03 0.00 2.20 0.00 0.00 35.95 38.73 1ujm h PHE 287 CO 0.05 0.09 0.38 0.00 -0.60 0.00 0.00 178.31 178.23 1ujm h ARG 288 N 0.22 0.81 -0.19 1.51 3.08 -0.93 0.11 114.38 118.99 1ujm h ARG 288 Ca 0.11 -0.06 -0.20 0.00 0.07 0.00 0.00 59.98 59.90 1ujm h ARG 288 Cb 0.07 -0.18 0.00 0.00 0.08 0.00 0.00 29.97 29.94 1ujm h ARG 288 CO -0.10 0.55 -0.68 -0.22 -1.07 0.00 0.00 179.97 178.45 1ujm h LYS 289 N 0.83 0.74 -0.02 0.04 3.64 -0.78 -2.44 116.57 118.58 1ujm h LYS 289 Ca 0.22 -0.55 -0.18 0.00 -1.27 0.00 0.00 60.65 58.87 1ujm h LYS 289 Cb -0.07 0.09 -0.01 0.00 -0.41 0.00 0.00 32.23 31.84 1ujm h LYS 289 CO -0.04 1.17 -0.78 -0.07 -2.27 0.00 0.00 179.45 177.45 1ujm h LEU 290 N 0.53 0.26 -6.40 5.20 3.38 -0.57 -3.37 115.31 114.34 1ujm h LEU 290 Ca -0.02 -0.19 -0.59 0.00 0.09 0.00 0.00 57.88 57.17 1ujm h LEU 290 Cb 1.28 -0.08 -0.40 0.00 0.09 0.00 0.00 40.66 41.55 1ujm h LEU 290 CO 0.14 0.94 -0.80 -1.22 0.09 0.00 0.00 178.44 177.59 1ujm n TYR 291 N -3.73 1.57 0.33 1.13 4.01 0.34 -0.97 117.16 119.85 1ujm n TYR 291 Ca -0.03 -3.86 0.21 0.00 -0.16 0.00 0.00 57.90 54.05 1ujm n TYR 291 Cb 0.74 -0.35 1.11 0.00 -0.31 0.00 0.00 39.34 40.54 1ujm n TYR 291 CO 0.00 0.00 0.00 -1.00 -0.46 0.00 0.00 176.86 175.40 1ujm h PRO 292 N 4.74 0.00 -0.00 -0.72 0.13 -1.61 -2.07 132.00 132.47 1ujm h PRO 292 Ca 0.17 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.30 1ujm h PRO 292 Cb 0.79 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.92 1ujm h PRO 292 CO 0.61 0.00 -0.78 0.43 -0.23 0.00 0.00 178.00 178.04 1ujm n SER 293 N -3.15 0.84 -4.85 1.44 7.64 -1.26 -4.95 113.62 109.33 1ujm n SER 293 Ca -0.03 -0.73 -0.33 0.00 1.01 0.00 0.00 58.87 58.79 1ujm n SER 293 Cb 0.14 0.68 -0.06 0.00 -1.01 0.00 0.00 64.21 63.96 1ujm n SER 293 CO 0.00 0.00 0.00 -0.75 -3.01 0.00 0.00 175.04 171.28 1ujm s LYS 294 N -2.97 4.03 -0.13 1.43 2.20 -0.78 -5.06 119.74 118.45 1ujm s LYS 294 Ca 0.10 0.67 -0.18 0.00 -0.36 0.00 0.00 55.97 56.21 1ujm s LYS 294 Cb 0.17 -2.52 -0.04 0.00 -1.51 0.00 0.00 37.83 33.93 1ujm s LYS 294 CO 0.79 0.21 0.45 0.99 -0.36 0.00 0.00 175.35 177.43 1ujm s THR 295 N -1.90 5.20 0.22 3.43 2.01 -1.26 -4.99 115.64 118.35 1ujm s THR 295 Ca 0.52 0.89 0.05 0.00 0.31 0.00 0.00 61.69 63.46 1ujm s THR 295 Cb -0.11 -3.79 -0.05 0.00 0.01 0.00 0.00 72.50 68.55 1ujm s THR 295 CO 0.18 0.32 -0.07 -0.36 -0.69 0.00 0.00 174.62 174.01 1ujm s PHE 296 N 0.70 1.66 0.85 4.92 0.08 -1.26 -4.90 117.98 120.02 1ujm s PHE 296 Ca 0.24 -0.75 -0.12 0.00 0.12 0.00 0.00 56.93 56.42 1ujm s PHE 296 Cb -0.15 -0.90 0.11 0.00 -0.57 0.00 0.00 43.02 41.51 1ujm s PHE 296 CO 0.09 0.16 1.19 -2.14 -0.10 0.00 0.00 175.22 174.42 1ujm s PRO 297 N -3.76 1.40 0.90 0.24 0.02 -1.26 -4.98 135.00 127.56 1ujm s PRO 297 Ca 0.25 1.70 -0.12 0.00 0.02 0.00 0.00 61.00 62.85 1ujm s PRO 297 Cb 0.03 -1.76 0.13 0.00 0.02 0.00 0.00 34.50 32.93 1ujm s PRO 297 CO 0.08 -2.38 1.14 0.00 -0.33 0.00 0.00 177.00 175.51 1ujm s ALA 298 N -2.31 1.87 0.60 -1.55 0.00 -1.26 -4.99 121.76 114.12 1ujm s ALA 298 Ca 0.71 -0.54 -0.19 0.00 0.00 0.00 0.00 51.96 51.94 1ujm s ALA 298 Cb -0.27 -3.02 -0.03 0.00 0.00 0.00 0.00 23.12 19.80 1ujm s ALA 298 CO 0.53 -2.22 1.29 -0.51 0.00 0.00 0.00 175.76 174.85 1ujm s ASP 299 N -4.09 4.99 0.75 0.00 1.11 -1.26 -5.02 116.67 113.15 1ujm s ASP 299 Ca 0.64 2.60 -0.11 0.00 0.18 0.00 0.00 52.55 55.85 1ujm s ASP 299 Cb -0.14 -2.62 0.04 0.00 1.07 0.00 0.00 42.92 41.27 1ujm s ASP 299 CO 0.53 -1.74 1.10 -0.36 1.18 0.00 0.00 175.17 175.87 1ujm s PHE 300 N -1.41 3.10 0.74 4.23 0.08 -1.26 -5.01 117.98 118.45 1ujm s PHE 300 Ca 0.77 1.09 -0.13 0.00 0.12 0.00 0.00 56.93 58.79 1ujm s PHE 300 Cb -0.36 -3.10 0.05 0.00 -0.57 0.00 0.00 43.02 39.03 1ujm s PHE 300 CO 0.40 -1.45 1.14 -2.14 -0.10 0.00 0.00 175.22 173.07 1ujm s PRO 301 N -5.27 2.22 -0.03 0.24 0.02 -1.26 -4.83 135.00 126.08 1ujm s PRO 301 Ca 0.59 1.45 -0.35 0.00 0.02 0.00 0.00 61.00 62.72 1ujm s PRO 301 Cb -0.13 -1.87 -0.13 0.00 0.02 0.00 0.00 34.50 32.39 1ujm s PRO 301 CO 0.53 -1.71 1.74 -3.47 -0.33 0.00 0.00 177.00 173.76 1ujm n ASP 302 N -3.05 3.09 -0.90 2.53 2.03 -1.26 -4.84 116.55 114.15 1ujm n ASP 302 Ca 0.11 1.03 0.07 0.00 0.52 0.00 0.00 54.79 56.52 1ujm n ASP 302 Cb 0.52 -1.34 0.22 0.00 -0.72 0.00 0.00 41.12 39.80 1ujm n ASP 302 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 1ujm n GLN 303 N 5.31 3.00 0.00 -0.67 6.02 -1.26 -5.09 117.38 124.69 1ujm n GLN 303 Ca 0.21 -2.40 0.00 0.00 -0.01 0.00 0.00 57.00 54.81 1ujm n GLN 303 Cb 0.26 -1.51 0.00 0.00 1.02 0.00 0.00 30.24 30.02 1ujm n GLN 303 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 1ujm n GLY 304 N 0.51 -1.97 3.16 1.08 0.00 -1.26 -4.66 105.19 102.05 1ujm n GLY 304 Ca 0.17 -1.46 -0.08 0.00 0.00 0.00 0.00 46.02 44.64 1ujm n GLY 304 CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 1ujm s GLN 305 N 0.00 0.74 -0.32 1.61 -2.07 -1.26 -4.84 119.66 113.52 1ujm s GLN 305 Ca 0.00 -1.01 -0.27 0.00 -1.82 0.00 0.00 55.36 52.26 1ujm s GLN 305 Cb 0.00 0.29 0.01 0.00 -1.09 0.00 0.00 33.01 32.22 1ujm s GLN 305 CO 0.00 -0.20 0.96 0.34 -1.32 0.00 0.00 175.29 175.07 1ujm s ASP 306 N -2.78 6.81 0.00 12.60 -1.08 -1.26 -0.78 116.67 130.17 1ujm s ASP 306 Ca 0.04 0.85 0.20 0.00 -0.52 0.00 0.00 52.55 53.13 1ujm s ASP 306 Cb 0.05 -2.49 0.33 0.00 -1.46 0.00 0.00 42.92 39.36 1ujm s ASP 306 CO -0.10 -0.79 1.28 0.18 0.52 0.00 0.00 175.17 176.26 1ujm n LEU 307 N 6.64 3.13 -4.83 -1.34 4.77 -1.26 -4.97 117.00 119.14 1ujm n LEU 307 Ca 0.09 -1.43 -0.30 0.00 -0.03 0.00 0.00 56.01 54.33 1ujm n LEU 307 Cb 0.48 -0.18 0.07 0.00 -2.33 0.00 0.00 43.42 41.45 1ujm n LEU 307 CO 0.56 0.66 0.72 -0.94 -1.33 0.00 0.00 177.39 177.07 1ujm s SER 308 N -1.39 4.90 0.01 -1.43 1.04 -1.26 -4.71 113.70 110.86 1ujm s SER 308 Ca 0.32 1.30 0.02 0.00 0.48 0.00 0.00 55.95 58.06 1ujm s SER 308 Cb 0.19 -2.07 -0.01 0.00 0.10 0.00 0.00 66.02 64.23 1ujm s SER 308 CO 0.27 -1.71 -0.07 -0.54 0.98 0.00 0.00 173.24 172.17 1ujm s LYS 309 N -5.20 0.52 0.04 4.02 -0.14 -0.19 -5.02 119.74 113.78 1ujm s LYS 309 Ca 0.60 -0.42 0.07 0.00 -1.36 0.00 0.00 55.97 54.86 1ujm s LYS 309 Cb -0.13 -0.43 -0.03 0.00 -1.68 0.00 0.00 37.83 35.55 1ujm s LYS 309 CO 0.54 0.11 -0.17 -0.06 -0.76 0.00 0.00 175.35 175.00 1ujm s PHE 310 N -0.58 2.58 -0.85 3.18 0.08 -1.26 -0.38 117.98 120.75 1ujm s PHE 310 Ca -0.02 -0.24 -0.24 0.00 0.12 0.00 0.00 56.93 56.55 1ujm s PHE 310 Cb -0.05 -1.47 0.05 0.00 -0.57 0.00 0.00 43.02 40.99 1ujm s PHE 310 CO 0.00 0.27 1.28 0.34 -0.10 0.00 0.00 175.22 177.01 1ujm s ASP 311 N -1.47 6.34 -0.17 1.36 -1.08 0.43 -4.82 116.67 117.26 1ujm s ASP 311 Ca 0.15 -1.06 0.12 0.00 -0.52 0.00 0.00 52.55 51.24 1ujm s ASP 311 Cb -0.11 -2.53 0.64 0.00 -1.46 0.00 0.00 42.92 39.47 1ujm s ASP 311 CO 0.06 -1.58 1.49 0.35 0.52 0.00 0.00 175.17 176.01 1ujm n THR 312 N 6.40 2.04 -0.08 1.71 -2.24 -1.26 -4.64 114.28 116.21 1ujm n THR 312 Ca 0.15 -1.08 -0.12 0.00 -2.27 0.00 0.00 64.05 60.73 1ujm n THR 312 Cb 0.49 -0.23 -0.07 0.00 -2.10 0.00 0.00 70.33 68.42 1ujm n THR 312 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1ujm h ALA 313 N 3.68 -0.59 -0.53 6.98 0.00 -1.96 -0.48 119.26 126.36 1ujm h ALA 313 Ca 0.00 0.02 -0.01 0.00 0.00 0.00 0.00 54.91 54.92 1ujm h ALA 313 Cb 1.58 0.92 -0.03 0.00 0.00 0.00 0.00 17.79 20.26 1ujm h ALA 313 CO 0.35 -0.94 0.28 -1.00 0.00 0.00 0.00 179.25 177.94 1ujm h PRO 314 N -0.42 0.72 0.21 0.00 0.13 -1.93 -1.26 132.00 129.46 1ujm h PRO 314 Ca 0.10 -0.07 -0.01 0.00 -0.87 0.00 0.00 66.00 65.15 1ujm h PRO 314 Cb 0.61 -0.15 -0.00 0.00 0.13 0.00 0.00 31.00 31.59 1ujm h PRO 314 CO -0.51 0.54 -0.11 0.77 -0.23 0.00 0.00 178.00 178.45 1ujm h SER 315 N 0.73 -0.28 -0.38 1.44 0.02 -1.61 -0.29 113.55 113.18 1ujm h SER 315 Ca 0.19 0.01 -0.04 0.00 -0.84 0.00 0.00 61.79 61.11 1ujm h SER 315 Cb 0.03 0.08 -0.02 0.00 0.14 0.00 0.00 62.40 62.62 1ujm h SER 315 CO -0.03 -0.19 0.11 -0.07 -1.14 0.00 0.00 176.83 175.51 1ujm h LEU 316 N -0.30 0.63 -0.53 5.07 3.38 -0.87 -1.43 115.31 121.26 1ujm h LEU 316 Ca -0.02 -0.10 -0.02 0.00 0.09 0.00 0.00 57.88 57.82 1ujm h LEU 316 Cb 0.24 -0.16 -0.02 0.00 0.09 0.00 0.00 40.66 40.81 1ujm h LEU 316 CO 0.03 0.63 0.25 -0.33 0.09 0.00 0.00 178.44 179.12 1ujm h GLU 317 N 0.67 0.77 0.09 1.13 5.08 -0.90 -1.59 114.58 119.83 1ujm h GLU 317 Ca 0.15 -0.12 -0.00 0.00 -1.00 0.00 0.00 59.36 58.39 1ujm h GLU 317 Cb 0.26 -0.14 0.00 0.00 0.50 0.00 0.00 28.75 29.37 1ujm h GLU 317 CO -0.00 0.65 -0.04 0.82 -1.00 0.00 0.00 179.01 179.43 1ujm h ILE 318 N 0.71 1.05 -0.77 3.13 2.04 -0.64 -0.86 117.51 122.16 1ujm h ILE 318 Ca 0.18 -0.49 0.06 0.00 1.00 0.00 0.00 64.86 65.61 1ujm h ILE 318 Cb 0.13 1.36 -0.06 0.00 -0.74 0.00 0.00 36.82 37.52 1ujm h ILE 318 CO -0.02 0.12 0.46 -0.07 0.00 0.00 0.00 178.15 178.64 1ujm h LEU 319 N -0.35 0.71 -0.25 1.44 3.38 -1.21 -1.10 115.31 117.93 1ujm h LEU 319 Ca -0.01 0.02 -0.04 0.00 0.09 0.00 0.00 57.88 57.94 1ujm h LEU 319 Cb 0.29 -0.13 -0.01 0.00 0.09 0.00 0.00 40.66 40.91 1ujm h LEU 319 CO 0.02 0.46 -0.01 0.50 0.09 0.00 0.00 178.44 179.50 1ujm h LYS 320 N 0.85 0.45 -0.43 1.13 3.64 -1.21 0.37 116.57 121.36 1ujm h LYS 320 Ca 0.34 -0.15 0.03 0.00 -1.27 0.00 0.00 60.65 59.60 1ujm h LYS 320 Cb 0.17 -0.04 -0.02 0.00 -0.41 0.00 0.00 32.23 31.93 1ujm h LYS 320 CO -0.17 0.63 0.29 0.77 -2.27 0.00 0.00 179.45 178.70 1ujm h SER 321 N 0.22 0.41 -0.05 4.20 0.02 -0.63 -1.19 113.55 116.54 1ujm h SER 321 Ca 0.07 -0.01 0.00 0.00 -0.84 0.00 0.00 61.79 61.01 1ujm h SER 321 Cb 0.44 -0.10 0.00 0.00 0.14 0.00 0.00 62.40 62.88 1ujm h SER 321 CO 0.02 0.29 0.00 0.18 -1.14 0.00 0.00 176.83 176.17 1ujm n LEU 322 N -4.48 0.93 0.00 5.07 4.77 -0.47 -4.91 117.00 117.92 1ujm n LEU 322 Ca 0.04 -0.35 0.00 0.00 -0.03 0.00 0.00 56.01 55.68 1ujm n LEU 322 Cb 0.14 -0.03 0.00 0.00 -2.33 0.00 0.00 43.42 41.21 1ujm n LEU 322 CO 0.35 0.17 0.00 0.61 -1.33 0.00 0.00 177.39 177.19 1ujm n GLY 323 N 1.06 0.43 2.53 -0.72 0.00 -0.45 -4.96 105.19 103.08 1ujm n GLY 323 Ca 0.19 -0.95 -0.19 0.00 0.00 0.00 0.00 46.02 45.07 1ujm n GLY 323 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1ujm n ARG 324 N -2.93 1.94 -1.63 1.61 5.12 0.10 -5.02 116.66 115.84 1ujm n ARG 324 Ca 0.00 -3.86 -0.38 0.00 -1.93 0.00 0.00 57.85 51.68 1ujm n ARG 324 Cb 0.00 -1.79 0.05 0.00 -1.16 0.00 0.00 32.46 29.56 1ujm n ARG 324 CO 0.00 0.00 0.00 -0.35 -1.93 0.00 0.00 177.63 175.35 1ujm n PRO 325 N -0.06 1.06 -0.37 5.56 -0.04 -1.10 -4.48 135.00 135.57 1ujm n PRO 325 Ca 0.24 0.40 0.04 0.00 -0.04 0.00 0.00 63.50 64.15 1ujm n PRO 325 Cb 0.65 -2.21 -0.02 0.00 -0.04 0.00 0.00 33.50 31.87 1ujm n PRO 325 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1ujm n GLY 326 N 1.20 -2.85 3.81 0.55 0.00 -1.26 -4.92 105.19 101.72 1ujm n GLY 326 Ca 0.13 -1.33 -0.37 0.00 0.00 0.00 0.00 46.02 44.44 1ujm n GLY 326 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 1ujm s TRP 327 N -3.43 3.72 0.34 1.61 0.52 -1.26 -5.01 118.94 115.44 1ujm s TRP 327 Ca 0.00 1.36 -0.28 0.00 0.02 0.00 0.00 56.10 57.20 1ujm s TRP 327 Cb 0.00 -2.58 -0.10 0.00 -1.15 0.00 0.00 33.47 29.64 1ujm s TRP 327 CO 0.00 0.44 1.30 0.50 0.02 0.00 0.00 176.95 179.20 1ujm s ARG 328 N -1.64 4.30 0.84 4.98 3.52 -1.26 -4.96 118.95 124.73 1ujm s ARG 328 Ca 0.38 2.18 -0.10 0.00 -0.13 0.00 0.00 55.73 58.06 1ujm s ARG 328 Cb -0.18 -3.02 0.10 0.00 -1.56 0.00 0.00 34.95 30.29 1ujm s ARG 328 CO 0.21 -0.22 1.12 -1.54 -0.81 0.00 0.00 175.30 174.06 1ujm s SER 329 N -0.55 3.66 0.34 -2.12 1.04 -1.26 -4.68 113.70 110.13 1ujm s SER 329 Ca 0.50 2.03 0.10 0.00 0.48 0.00 0.00 55.95 59.06 1ujm s SER 329 Cb -0.39 -2.55 0.61 0.00 0.10 0.00 0.00 66.02 63.80 1ujm s SER 329 CO 0.52 -2.60 1.78 -0.29 0.98 0.00 0.00 173.24 173.62 1ujm h ILE 330 N -1.49 1.28 -0.35 -1.02 2.10 -1.98 -0.77 117.51 115.28 1ujm h ILE 330 Ca -0.43 -1.36 -0.08 0.00 1.08 0.00 0.00 64.86 64.06 1ujm h ILE 330 Cb 1.25 1.67 -0.01 0.00 -1.09 0.00 0.00 36.82 38.64 1ujm h ILE 330 CO 0.46 0.40 -0.09 -0.08 -1.08 0.00 0.00 178.15 177.76 1ujm h GLU 331 N 0.09 0.68 -0.14 2.19 4.81 -1.99 -0.31 114.58 119.91 1ujm h GLU 331 Ca 0.01 -0.26 -0.12 0.00 -0.13 0.00 0.00 59.36 58.85 1ujm h GLU 331 Cb 0.71 -0.04 -0.01 0.00 0.63 0.00 0.00 28.75 30.04 1ujm h GLU 331 CO 0.05 0.85 -0.45 0.93 -0.73 0.00 0.00 179.01 179.66 1ujm h GLU 332 N 0.47 0.35 -0.27 1.92 4.39 -1.89 -0.93 114.58 118.61 1ujm h GLU 332 Ca 0.09 -0.18 -0.05 0.00 0.34 0.00 0.00 59.36 59.55 1ujm h GLU 332 Cb 0.60 0.01 -0.01 0.00 -0.10 0.00 0.00 28.75 29.25 1ujm h GLU 332 CO 0.04 0.73 -0.04 0.77 -1.16 0.00 0.00 179.01 179.35 1ujm h SER 333 N 0.28 0.50 0.19 1.42 0.02 -0.95 -0.97 113.55 114.04 1ujm h SER 333 Ca 0.02 -0.35 -0.10 0.00 -0.84 0.00 0.00 61.79 60.52 1ujm h SER 333 Cb 0.91 -0.14 -0.01 0.00 0.14 0.00 0.00 62.40 63.30 1ujm h SER 333 CO 0.08 0.73 -0.37 0.40 -1.14 0.00 0.00 176.83 176.53 1ujm h ILE 334 N 0.26 1.29 -0.16 3.27 2.04 -1.00 -1.96 117.51 121.25 1ujm h ILE 334 Ca 0.07 -1.41 -0.07 0.00 1.00 0.00 0.00 64.86 64.45 1ujm h ILE 334 Cb 0.50 1.60 -0.01 0.00 -0.74 0.00 0.00 36.82 38.17 1ujm h ILE 334 CO 0.02 0.42 -0.22 0.50 0.00 0.00 0.00 178.15 178.87 1ujm h LYS 335 N 0.22 0.28 -0.62 2.37 3.64 -0.93 0.22 116.57 121.75 1ujm h LYS 335 Ca 0.02 -0.09 -0.05 0.00 -1.27 0.00 0.00 60.65 59.27 1ujm h LYS 335 Cb 0.75 -0.03 -0.03 0.00 -0.41 0.00 0.00 32.23 32.52 1ujm h LYS 335 CO 0.06 0.50 0.19 -0.44 -2.27 0.00 0.00 179.45 177.48 1ujm h ASP 336 N 0.26 0.87 0.07 4.20 3.32 -0.41 0.42 116.42 125.15 1ujm h ASP 336 Ca 0.04 -0.15 -0.00 0.00 0.02 0.00 0.00 57.03 56.94 1ujm h ASP 336 Cb 0.54 -0.23 0.00 0.00 0.22 0.00 0.00 39.33 39.87 1ujm h ASP 336 CO 0.04 0.82 -0.03 0.25 -1.72 0.00 0.00 179.24 178.60 1ujm h LEU 337 N 0.91 -0.08 -0.80 1.55 5.85 -0.95 -3.25 115.31 118.54 1ujm h LEU 337 Ca 0.20 -0.46 0.00 0.00 0.84 0.00 0.00 57.88 58.46 1ujm h LEU 337 Cb 0.27 0.02 0.00 0.00 0.37 0.00 0.00 40.66 41.32 1ujm h LEU 337 CO -0.01 0.60 -0.52 1.33 -0.34 0.00 0.00 178.44 179.50 1ujm n VAL 338 N -4.79 0.00 -4.32 1.05 0.24 0.67 -4.74 118.33 106.44 1ujm n VAL 338 Ca -0.06 -0.24 0.00 0.00 -2.04 0.00 0.00 64.34 62.00 1ujm n VAL 338 Cb 0.26 1.20 0.00 0.00 -1.47 0.00 0.00 33.84 33.83 1ujm n VAL 338 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 1ujm n GLY 339 N 1.36 -0.12 3.41 7.63 0.00 0.15 -4.95 105.19 112.67 1ujm n GLY 339 Ca 0.08 -1.00 -0.11 0.00 0.00 0.00 0.00 46.02 44.99 1ujm n GLY 339 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1ujm s SER 340 N -4.00 -0.37 -0.81 1.61 1.04 -1.26 -4.55 113.70 105.35 1ujm s SER 340 Ca 0.00 -0.23 -0.25 0.00 0.48 0.00 0.00 55.95 55.95 1ujm s SER 340 Cb 0.00 0.55 -0.01 0.00 0.10 0.00 0.00 66.02 66.66 1ujm s SER 340 CO 0.00 -0.95 1.74 -0.70 0.98 0.00 0.00 173.24 174.31 1ujm s GLU 341 N -3.80 2.85 0.18 4.02 2.12 -0.14 -4.90 118.70 119.03 1ujm s GLU 341 Ca 0.03 -0.15 -0.11 0.00 0.36 0.00 0.00 54.97 55.10 1ujm s GLU 341 Cb 0.00 -4.78 0.00 0.00 0.26 0.00 0.00 34.13 29.61 1ujm s GLU 341 CO -0.10 -2.79 0.36 -0.08 -0.54 0.00 0.00 175.26 172.10 1ujm s THR 342 N 8.24 0.05 0.00 -1.70 -1.32 -1.26 -4.98 115.64 114.67 1ujm s THR 342 Ca 0.60 -1.24 0.00 0.00 -1.21 0.00 0.00 61.69 59.84 1ujm s THR 342 Cb -0.08 -1.80 0.00 0.00 -1.51 0.00 0.00 72.50 69.11 1ujm s THR 342 CO 0.07 -0.23 0.00 0.00 -2.21 0.00 0.00 174.62 172.24