#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1udm n SER 2 N 0.00 -4.07 -0.11 1.61 2.88 -1.26 -4.89 113.62 107.78 1udm n SER 2 Ca 0.00 -0.79 -0.23 0.00 -1.33 0.00 0.00 58.87 56.53 1udm n SER 2 Cb 0.00 -3.93 -0.12 0.00 -0.75 0.00 0.00 64.21 59.41 1udm n SER 2 CO 0.00 0.00 0.00 -0.62 -1.23 0.00 0.00 175.04 173.19 1udm n GLU 3 N -4.61 0.64 -1.51 -1.46 1.02 -1.26 -4.91 120.64 108.55 1udm n GLU 3 Ca -0.03 0.24 -0.51 0.00 -0.02 0.00 0.00 57.16 56.84 1udm n GLU 3 Cb 0.56 -1.56 -0.07 0.00 -0.02 0.00 0.00 31.44 30.35 1udm n GLU 3 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1udm n GLY 4 N 1.82 0.65 3.84 0.62 0.00 -1.26 -4.94 105.19 105.92 1udm n GLY 4 Ca -0.46 0.93 -0.27 0.00 0.00 0.00 0.00 46.02 46.22 1udm n GLY 4 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1udm s ALA 5 N 6.47 4.19 -0.16 4.61 0.00 -1.26 -5.13 121.76 130.48 1udm s ALA 5 Ca 1.06 -1.26 0.01 0.00 0.00 0.00 0.00 51.96 51.77 1udm s ALA 5 Cb -0.87 -0.52 0.02 0.00 0.00 0.00 0.00 23.12 21.76 1udm s ALA 5 CO 0.52 -0.29 -0.17 0.00 0.00 0.00 0.00 175.76 175.81 1udm s ALA 6 N -2.75 2.05 0.09 0.00 0.00 -1.26 -4.80 121.76 115.09 1udm s ALA 6 Ca 0.30 -1.02 0.06 0.00 0.00 0.00 0.00 51.96 51.29 1udm s ALA 6 Cb -0.00 -1.08 -0.04 0.00 0.00 0.00 0.00 23.12 22.00 1udm s ALA 6 CO 0.18 -0.33 -0.05 0.99 0.00 0.00 0.00 175.76 176.56 1udm s THR 7 N 1.33 3.72 0.11 0.00 2.01 -1.26 -5.07 115.64 116.49 1udm s THR 7 Ca 0.03 -1.09 -0.35 0.00 0.31 0.00 0.00 61.69 60.60 1udm s THR 7 Cb -0.13 -2.75 -0.15 0.00 0.01 0.00 0.00 72.50 69.48 1udm s THR 7 CO -0.10 0.14 1.54 0.23 -0.69 0.00 0.00 174.62 175.73 1udm n MET 8 N 0.69 1.86 -0.01 4.92 2.81 -1.26 -4.65 117.12 121.49 1udm n MET 8 Ca -0.12 0.67 0.00 0.00 -1.81 0.00 0.00 57.70 56.44 1udm n MET 8 Cb 0.52 -2.41 -0.00 0.00 -0.71 0.00 0.00 33.22 30.62 1udm n MET 8 CO 0.00 0.00 0.00 0.00 1.51 0.00 0.00 175.97 177.48 1udm n ALA 9 N 3.48 -0.02 -2.57 3.04 0.00 -1.26 -4.84 120.51 118.33 1udm n ALA 9 Ca 0.18 0.00 -0.31 0.00 0.00 0.00 0.00 53.44 53.31 1udm n ALA 9 Cb 0.26 -0.01 -0.11 0.00 0.00 0.00 0.00 19.45 19.59 1udm n ALA 9 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.50 178.49 1udm s THR 10 N -0.02 3.47 0.31 0.00 2.01 -1.26 -5.00 115.64 115.15 1udm s THR 10 Ca 0.00 -0.94 0.09 0.00 0.31 0.00 0.00 61.69 61.15 1udm s THR 10 Cb 0.00 -2.53 -0.06 0.00 0.01 0.00 0.00 72.50 69.92 1udm s THR 10 CO 0.00 0.32 -0.11 -0.54 -0.69 0.00 0.00 174.62 173.60 1udm s LYS 11 N -1.60 1.69 0.08 4.92 -0.14 -1.22 -5.05 119.74 118.42 1udm s LYS 11 Ca 0.18 -1.84 0.07 0.00 -1.36 0.00 0.00 55.97 53.01 1udm s LYS 11 Cb -0.11 -1.54 -0.03 0.00 -1.68 0.00 0.00 37.83 34.47 1udm s LYS 11 CO 0.09 0.15 -0.18 -1.50 -0.76 0.00 0.00 175.35 173.15 1udm s ILE 12 N -2.72 1.44 -0.21 2.17 2.07 -1.26 -0.44 121.20 122.26 1udm s ILE 12 Ca 0.31 -1.36 -0.03 0.00 -1.41 0.00 0.00 60.65 58.16 1udm s ILE 12 Cb 0.01 -1.32 -0.02 0.00 0.13 0.00 0.00 42.46 41.26 1udm s ILE 12 CO 0.14 -0.07 2.76 0.47 -1.91 0.00 0.00 174.94 176.33 1udm n ASP 13 N 1.34 5.89 -0.09 4.50 9.92 -0.26 -4.73 116.55 133.12 1udm n ASP 13 Ca -0.20 -2.81 0.06 0.00 -0.53 0.00 0.00 54.79 51.31 1udm n ASP 13 Cb 0.54 -1.24 0.11 0.00 -0.64 0.00 0.00 41.12 39.89 1udm n ASP 13 CO 0.00 0.00 0.00 0.29 0.13 0.00 0.00 177.20 177.62 1udm n LYS 14 N 1.39 -0.02 0.42 -1.24 5.02 -1.26 0.20 118.16 122.66 1udm n LYS 14 Ca 0.35 0.40 -0.19 0.00 -2.02 0.00 0.00 58.31 56.85 1udm n LYS 14 Cb 0.66 -0.67 -0.10 0.00 -0.02 0.00 0.00 35.03 34.91 1udm n LYS 14 CO 0.00 0.00 0.00 0.93 -0.52 0.00 0.00 177.40 177.81 1udm h GLU 15 N 0.00 -1.13 -0.16 1.97 5.08 -1.99 0.26 114.58 118.61 1udm h GLU 15 Ca 0.20 0.08 -0.10 0.00 -1.00 0.00 0.00 59.36 58.53 1udm h GLU 15 Cb 0.46 0.26 -0.01 0.00 0.50 0.00 0.00 28.75 29.95 1udm h GLU 15 CO -0.24 -0.75 -0.34 0.00 -1.00 0.00 0.00 179.01 176.67 1udm h ALA 16 N -1.21 1.12 0.40 3.43 0.00 0.18 -3.19 119.26 119.99 1udm h ALA 16 Ca -0.10 -0.38 -0.02 0.00 0.00 0.00 0.00 54.91 54.41 1udm h ALA 16 Cb 0.94 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 18.63 1udm h ALA 16 CO 0.10 0.56 -0.19 0.00 0.00 0.00 0.00 179.25 179.72 1udm h ARG 18 N -0.69 0.27 -0.08 0.00 2.43 -0.48 0.16 114.38 115.99 1udm h ARG 18 Ca -0.06 -0.02 -0.01 0.00 -0.81 0.00 0.00 59.98 59.09 1udm h ARG 18 Cb 0.50 -0.06 -0.00 0.00 -0.42 0.00 0.00 29.97 29.98 1udm h ARG 18 CO 0.09 0.18 0.02 0.00 -1.51 0.00 0.00 179.97 178.75 1udm h ALA 19 N 1.58 0.10 -0.32 2.80 0.00 -1.48 -1.59 119.26 120.35 1udm h ALA 19 Ca 0.63 -0.13 -0.04 0.00 0.00 0.00 0.00 54.91 55.37 1udm h ALA 19 Cb 1.82 -0.03 -0.01 0.00 0.00 0.00 0.00 17.79 19.56 1udm h ALA 19 CO -0.28 -0.27 0.04 0.00 0.00 0.00 0.00 179.25 178.74 1udm h ALA 20 N 0.80 0.43 0.00 0.00 0.00 -0.57 0.04 119.26 119.96 1udm h ALA 20 Ca 0.02 -0.21 -0.01 0.00 0.00 0.00 0.00 54.91 54.72 1udm h ALA 20 Cb 0.25 -0.12 -0.00 0.00 0.00 0.00 0.00 17.79 17.92 1udm h ALA 20 CO 0.00 0.15 -0.04 -0.92 0.00 0.00 0.00 179.25 178.44 1udm h TYR 21 N 0.37 0.00 0.08 0.00 3.20 -0.92 -2.72 116.97 116.98 1udm h TYR 21 Ca 0.10 0.00 -0.25 0.00 3.14 0.00 0.00 58.73 61.72 1udm h TYR 21 Cb 0.38 0.00 -0.01 0.00 1.54 0.00 0.00 36.73 38.64 1udm h TYR 21 CO 0.03 0.04 -1.29 -0.91 -1.64 0.00 0.00 178.16 174.39 1udm h ASN 22 N 0.00 0.27 0.00 -2.11 2.35 -0.86 -2.67 115.58 112.56 1udm h ASN 22 Ca -0.00 -0.80 0.00 0.00 -0.55 0.00 0.00 56.30 54.95 1udm h ASN 22 Cb 0.13 -0.09 0.00 0.00 0.05 0.00 0.00 38.32 38.42 1udm h ASN 22 CO 0.00 1.55 0.44 -0.07 -1.65 0.00 0.00 177.43 177.70 1udm h LEU 23 N -0.49 0.00 0.00 1.61 -0.00 -0.67 0.45 115.31 116.21 1udm h LEU 23 Ca -0.29 0.00 -0.23 0.00 -0.00 0.00 0.00 57.88 57.36 1udm h LEU 23 Cb 1.61 0.00 -0.04 0.00 -0.00 0.00 0.00 40.66 42.23 1udm h LEU 23 CO -0.00 0.00 -1.87 0.52 -0.00 0.00 0.00 178.44 177.09 1udm n VAL 24 N -2.45 0.87 0.10 1.22 0.31 -1.18 -3.78 118.33 113.41 1udm n VAL 24 Ca -0.01 -0.53 -0.05 0.00 -0.01 0.00 0.00 64.34 63.74 1udm n VAL 24 Cb 0.47 -0.67 0.04 0.00 -0.91 0.00 0.00 33.84 32.77 1udm n VAL 24 CO 0.00 0.00 0.00 0.08 -1.32 0.00 0.00 176.83 175.59 1udm h ARG 25 N 0.00 0.05 -6.84 5.55 0.11 -0.14 -3.45 114.38 109.66 1udm h ARG 25 Ca -0.34 -0.06 -0.47 0.00 0.10 0.00 0.00 59.98 59.21 1udm h ARG 25 Cb 1.78 0.02 0.22 0.00 1.11 0.00 0.00 29.97 33.10 1udm h ARG 25 CO 0.02 0.82 -0.64 -3.47 0.10 0.00 0.00 179.97 176.79 1udm n ASP 26 N -3.64 -1.99 -0.00 0.08 2.03 0.12 -4.89 116.55 108.26 1udm n ASP 26 Ca -0.01 -0.01 -0.09 0.00 0.52 0.00 0.00 54.79 55.19 1udm n ASP 26 Cb 0.76 -1.11 -0.03 0.00 -0.72 0.00 0.00 41.12 40.02 1udm n ASP 26 CO 0.00 0.00 0.00 -2.24 -1.92 0.00 0.00 177.20 173.04 1udm h ASP 27 N -2.12 -0.61 0.00 1.67 3.04 -1.90 -3.40 116.42 113.10 1udm h ASP 27 Ca -0.53 0.10 -0.17 0.00 -3.24 0.00 0.00 57.03 53.19 1udm h ASP 27 Cb 1.33 0.28 -0.14 0.00 -1.04 0.00 0.00 39.33 39.76 1udm h ASP 27 CO 0.40 -0.25 -0.35 0.61 -2.04 0.00 0.00 179.24 177.62 1udm n GLY 28 N -1.34 -0.51 0.68 7.15 0.00 -1.26 -4.98 105.19 104.94 1udm n GLY 28 Ca -0.03 0.41 0.01 0.00 0.00 0.00 0.00 46.02 46.41 1udm n GLY 28 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1udm n SER 29 N 1.55 1.62 -1.08 1.61 7.64 -1.26 -4.79 113.62 118.92 1udm n SER 29 Ca 0.06 -2.11 -0.11 0.00 1.01 0.00 0.00 58.87 57.73 1udm n SER 29 Cb 0.66 -0.52 -0.02 0.00 -1.01 0.00 0.00 64.21 63.32 1udm n SER 29 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1udm n ALA 30 N 0.08 -0.26 -3.62 -0.43 0.00 -1.26 -4.97 120.51 110.05 1udm n ALA 30 Ca 0.03 0.11 -0.13 0.00 0.00 0.00 0.00 53.44 53.46 1udm n ALA 30 Cb 0.37 -1.33 -0.13 0.00 0.00 0.00 0.00 19.45 18.36 1udm n ALA 30 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 1udm s VAL 31 N -2.48 -0.04 0.00 0.00 1.01 -1.25 -3.40 120.40 114.24 1udm s VAL 31 Ca 0.00 0.13 0.00 0.00 0.00 0.00 0.00 61.98 62.11 1udm s VAL 31 Cb 0.00 -0.32 0.00 0.00 0.00 0.00 0.00 36.38 36.06 1udm s VAL 31 CO 0.00 0.05 0.00 2.30 0.00 0.00 0.00 175.10 177.45 1udm n ILE 32 N 4.00 0.00 -3.85 2.22 -5.35 -1.03 -4.10 119.36 111.24 1udm n ILE 32 Ca -0.23 -0.30 -0.12 0.00 -0.27 0.00 0.00 62.75 61.83 1udm n ILE 32 Cb 0.54 0.80 -0.13 0.00 -1.74 0.00 0.00 39.64 39.11 1udm n ILE 32 CO 0.00 0.00 0.00 -1.66 -1.76 0.00 0.00 176.55 173.13 1udm s TRP 33 N -1.38 -0.06 -0.07 4.28 1.48 -1.04 -0.63 118.94 121.52 1udm s TRP 33 Ca 0.00 0.14 -0.03 0.00 -1.06 0.00 0.00 56.10 55.15 1udm s TRP 33 Cb 0.00 0.01 0.04 0.00 -1.16 0.00 0.00 33.47 32.36 1udm s TRP 33 CO 0.00 -0.08 0.13 0.14 -4.06 0.00 0.00 176.95 173.08 1udm s VAL 34 N -0.21 -0.20 0.22 -0.66 -7.23 -0.43 -2.99 120.40 108.89 1udm s VAL 34 Ca -0.03 0.35 -0.04 0.00 -1.81 0.00 0.00 61.98 60.45 1udm s VAL 34 Cb -0.02 -0.25 -0.05 0.00 0.56 0.00 0.00 36.38 36.62 1udm s VAL 34 CO 0.00 0.14 0.46 0.42 -0.31 0.00 0.00 175.10 175.81 1udm s THR 35 N 2.09 5.10 -0.32 5.32 -4.23 -1.00 -0.07 115.64 122.54 1udm s THR 35 Ca 0.02 -0.02 -0.01 0.00 -1.18 0.00 0.00 61.69 60.50 1udm s THR 35 Cb -0.12 -3.69 0.10 0.00 1.34 0.00 0.00 72.50 70.14 1udm s THR 35 CO -0.05 -0.15 0.12 -0.36 -0.54 0.00 0.00 174.62 173.64 1udm s PHE 36 N -1.87 1.64 0.50 3.99 0.40 0.36 -0.06 117.98 122.94 1udm s PHE 36 Ca 0.42 -1.76 0.09 0.00 -0.60 0.00 0.00 56.93 55.08 1udm s PHE 36 Cb -0.11 -1.67 0.05 0.00 0.51 0.00 0.00 43.02 41.79 1udm s PHE 36 CO 0.27 -0.87 0.66 -0.98 0.70 0.00 0.00 175.22 175.01 1udm s ARG 37 N 1.51 2.52 0.11 0.44 1.70 -0.27 -2.57 118.95 122.39 1udm s ARG 37 Ca 0.11 -1.50 -0.10 0.00 -0.47 0.00 0.00 55.73 53.77 1udm s ARG 37 Cb -0.18 -2.65 -0.06 0.00 -0.57 0.00 0.00 34.95 31.49 1udm s ARG 37 CO -0.23 -0.58 0.44 0.71 -1.08 0.00 0.00 175.30 174.56 1udm s TYR 38 N -2.54 3.56 -0.10 5.89 2.02 -1.26 0.20 117.35 125.13 1udm s TYR 38 Ca 0.57 0.82 0.13 0.00 -0.37 0.00 0.00 57.07 58.23 1udm s TYR 38 Cb -0.07 -2.19 0.21 0.00 -0.40 0.00 0.00 41.96 39.50 1udm s TYR 38 CO 0.35 0.47 1.11 -3.47 -1.57 0.00 0.00 175.55 172.45 1udm n ASP 39 N 0.73 2.27 0.00 2.29 2.03 -0.75 -4.90 116.55 118.22 1udm n ASP 39 Ca -0.06 -2.76 0.00 0.00 0.52 0.00 0.00 54.79 52.49 1udm n ASP 39 Cb 0.52 -0.30 0.00 0.00 -0.72 0.00 0.00 41.12 40.62 1udm n ASP 39 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 1udm n GLY 40 N -1.13 0.61 2.24 0.27 0.00 -1.26 -4.83 105.19 101.09 1udm n GLY 40 Ca 0.11 -0.66 -0.11 0.00 0.00 0.00 0.00 46.02 45.36 1udm n GLY 40 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1udm n ALA 41 N 0.00 -0.28 -3.50 4.61 0.00 -1.26 -4.84 120.51 115.24 1udm n ALA 41 Ca 0.00 0.11 0.01 0.00 0.00 0.00 0.00 53.44 53.56 1udm n ALA 41 Cb 0.00 -1.36 -0.03 0.00 0.00 0.00 0.00 19.45 18.06 1udm n ALA 41 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.50 178.49 1udm s THR 42 N -2.50 -0.92 0.34 0.00 2.01 -1.26 -3.44 115.64 109.86 1udm s THR 42 Ca 0.00 0.00 -0.29 0.00 0.31 0.00 0.00 61.69 61.71 1udm s THR 42 Cb 0.00 -1.00 -0.11 0.00 0.01 0.00 0.00 72.50 71.40 1udm s THR 42 CO 0.00 0.00 1.38 -0.63 -0.69 0.00 0.00 174.62 174.68 1udm s ILE 43 N 2.84 2.49 -0.19 1.82 1.01 0.42 -1.81 121.20 127.78 1udm s ILE 43 Ca 0.01 0.49 -0.21 0.00 0.00 0.00 0.00 60.65 60.93 1udm s ILE 43 Cb -0.12 -3.31 0.06 0.00 0.01 0.00 0.00 42.46 39.10 1udm s ILE 43 CO -0.19 0.11 0.58 0.68 0.00 0.00 0.00 174.94 176.12 1udm s VAL 44 N -1.03 0.00 -0.05 2.92 -7.23 0.13 -1.10 120.40 114.03 1udm s VAL 44 Ca 0.51 -0.03 -0.36 0.00 -1.81 0.00 0.00 61.98 60.29 1udm s VAL 44 Cb -0.42 -0.82 -0.14 0.00 0.56 0.00 0.00 36.38 35.56 1udm s VAL 44 CO 0.55 -0.02 1.68 -2.65 -0.31 0.00 0.00 175.10 174.36 1udm n PRO 45 N 2.48 1.71 0.00 4.82 -0.02 -1.26 -1.11 135.00 141.61 1udm n PRO 45 Ca -0.15 0.62 0.00 0.00 -2.02 0.00 0.00 63.50 61.96 1udm n PRO 45 Cb 0.56 -2.37 0.00 0.00 -0.02 0.00 0.00 33.50 31.67 1udm n PRO 45 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1udm n GLY 46 N 3.79 0.47 3.89 -1.23 0.00 0.92 -4.78 105.19 108.24 1udm n GLY 46 Ca 0.22 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.94 1udm n GLY 46 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1udm s ASP 47 N -1.00 5.73 -0.27 1.61 1.01 -1.26 -4.91 116.67 117.58 1udm s ASP 47 Ca 0.00 1.11 -0.25 0.00 0.71 0.00 0.00 52.55 54.12 1udm s ASP 47 Cb 0.00 -2.05 0.07 0.00 1.01 0.00 0.00 42.92 41.96 1udm s ASP 47 CO 0.00 -1.11 0.73 -1.58 0.21 0.00 0.00 175.17 173.42 1udm s GLN 48 N -5.20 0.83 0.00 8.23 0.74 -1.26 -2.37 119.66 120.63 1udm s GLN 48 Ca 0.56 0.99 0.00 0.00 0.05 0.00 0.00 55.36 56.96 1udm s GLN 48 Cb -0.11 0.40 0.00 0.00 1.10 0.00 0.00 33.01 34.40 1udm s GLN 48 CO 0.51 -0.10 0.00 0.41 -0.55 0.00 0.00 175.29 175.56 1udm n GLY 49 N 2.69 1.02 1.51 2.59 0.00 -1.16 -4.99 105.19 106.85 1udm n GLY 49 Ca -0.14 -0.93 0.10 0.00 0.00 0.00 0.00 46.02 45.05 1udm n GLY 49 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1udm n ALA 50 N -0.40 2.88 -3.67 4.61 0.00 -1.22 -2.47 120.51 120.25 1udm n ALA 50 Ca 0.00 -1.47 -0.36 0.00 0.00 0.00 0.00 53.44 51.61 1udm n ALA 50 Cb 0.00 -1.00 -0.12 0.00 0.00 0.00 0.00 19.45 18.33 1udm n ALA 50 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 1udm s ASP 51 N -0.92 5.23 0.54 0.00 -1.08 -1.26 -4.67 116.67 114.51 1udm s ASP 51 Ca 0.50 -1.77 0.29 0.00 -0.52 0.00 0.00 52.55 51.05 1udm s ASP 51 Cb 0.30 -1.83 1.46 0.00 -1.46 0.00 0.00 42.92 41.40 1udm s ASP 51 CO 0.27 -0.47 1.92 0.22 0.52 0.00 0.00 175.17 177.63 1udm h TYR 52 N 8.09 0.00 0.00 -5.34 5.03 -1.98 0.57 116.97 123.34 1udm h TYR 52 Ca -0.16 0.00 -0.05 0.00 2.58 0.00 0.00 58.73 61.09 1udm h TYR 52 Cb 1.06 0.00 -0.01 0.00 1.55 0.00 0.00 36.73 39.33 1udm h TYR 52 CO 0.58 0.00 -0.25 1.96 -1.32 0.00 0.00 178.16 179.12 1udm h GLN 53 N 0.00 0.00 0.00 1.82 7.50 -1.99 -2.56 115.11 119.87 1udm h GLN 53 Ca 0.35 0.00 -0.18 0.00 0.50 0.00 0.00 58.65 59.32 1udm h GLN 53 Cb 1.44 0.00 -0.02 0.00 0.05 0.00 0.00 27.48 28.94 1udm h GLN 53 CO -0.00 0.25 -0.86 0.45 -1.50 0.00 0.00 178.83 177.17 1udm h HIS 54 N 0.00 0.01 -0.03 2.96 3.86 -0.27 -3.07 115.15 118.60 1udm h HIS 54 Ca -0.00 -0.01 -0.15 0.00 -1.16 0.00 0.00 60.37 59.05 1udm h HIS 54 Cb 0.67 -0.00 0.01 0.00 1.06 0.00 0.00 27.41 29.15 1udm h HIS 54 CO 0.00 0.86 -0.57 0.35 0.86 0.00 0.00 177.93 179.43 1udm h PHE 55 N 0.00 0.64 0.00 2.45 3.57 -1.33 -3.14 116.94 119.14 1udm h PHE 55 Ca -0.01 -0.32 0.00 0.00 3.53 0.00 0.00 57.97 61.17 1udm h PHE 55 Cb 1.51 -0.08 0.00 0.00 2.79 0.00 0.00 35.95 40.17 1udm h PHE 55 CO 0.00 1.13 0.00 0.82 -2.23 0.00 0.00 178.31 178.03 1udm h ILE 56 N -0.03 0.00 -0.02 1.41 2.04 -1.54 -0.96 117.51 118.41 1udm h ILE 56 Ca -0.06 -0.20 0.00 0.00 1.00 0.00 0.00 64.86 65.60 1udm h ILE 56 Cb 1.26 1.02 0.00 0.00 -0.74 0.00 0.00 36.82 38.36 1udm h ILE 56 CO 0.11 0.00 0.00 0.00 0.00 0.00 0.00 178.15 178.26 1udm n GLN 57 N -2.68 1.29 -0.07 2.37 1.13 -1.16 -3.64 117.38 114.62 1udm n GLN 57 Ca -0.00 -0.42 -0.08 0.00 -1.94 0.00 0.00 57.00 54.56 1udm n GLN 57 Cb 0.17 -1.46 -0.09 0.00 0.11 0.00 0.00 30.24 28.98 1udm n GLN 57 CO 0.00 0.00 0.00 1.04 -1.44 0.00 0.00 177.06 176.66 1udm n GLN 58 N -0.46 1.45 -2.44 -1.09 1.13 -0.37 -4.94 117.38 110.66 1udm n GLN 58 Ca 0.20 0.03 -0.43 0.00 -1.94 0.00 0.00 57.00 54.86 1udm n GLN 58 Cb 0.20 -1.31 -0.02 0.00 0.11 0.00 0.00 30.24 29.23 1udm n GLN 58 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 1udm s THR 60 N 4.15 0.36 -2.00 0.00 -4.23 -1.26 -4.94 115.64 107.72 1udm s THR 60 Ca 0.55 -2.00 0.10 0.00 -1.18 0.00 0.00 61.69 59.17 1udm s THR 60 Cb -0.17 -2.48 0.30 0.00 1.34 0.00 0.00 72.50 71.48 1udm s THR 60 CO 0.21 0.00 1.26 0.47 -0.54 0.00 0.00 174.62 176.01 1udm n ASP 61 N -1.09 0.00 -0.09 3.99 8.00 -1.26 -2.55 116.55 123.56 1udm n ASP 61 Ca 0.00 -1.30 0.09 0.00 0.71 0.00 0.00 54.79 54.29 1udm n ASP 61 Cb 0.65 0.00 0.13 0.00 -0.02 0.00 0.00 41.12 41.87 1udm n ASP 61 CO 0.00 0.00 0.00 -0.67 -0.39 0.00 0.00 177.20 176.14 1udm n ASP 62 N -0.70 2.24 -3.50 -2.24 2.03 -1.26 -3.04 116.55 110.07 1udm n ASP 62 Ca 0.08 -3.00 -0.15 0.00 0.52 0.00 0.00 54.79 52.23 1udm n ASP 62 Cb 0.04 -0.41 -0.05 0.00 -0.72 0.00 0.00 41.12 39.98 1udm n ASP 62 CO 0.00 0.00 0.00 0.54 -1.92 0.00 0.00 177.20 175.82 1udm s VAL 63 N -2.69 0.00 -0.09 5.18 0.11 -1.06 -5.03 120.40 116.83 1udm s VAL 63 Ca 0.30 0.00 -0.05 0.00 -2.93 0.00 0.00 61.98 59.29 1udm s VAL 63 Cb 0.26 -1.00 0.04 0.00 -1.53 0.00 0.00 36.38 34.14 1udm s VAL 63 CO 0.03 0.00 0.21 0.00 -3.33 0.00 0.00 175.10 172.00 1udm s ARG 64 N -1.88 0.19 0.14 1.54 3.03 -1.26 -1.46 118.95 119.24 1udm s ARG 64 Ca -0.06 0.41 -0.25 0.00 2.03 0.00 0.00 55.73 57.86 1udm s ARG 64 Cb -0.00 -0.05 0.08 0.00 -1.03 0.00 0.00 34.95 33.94 1udm s ARG 64 CO 0.03 -0.12 1.04 -0.48 -1.13 0.00 0.00 175.30 174.64 1udm s LEU 65 N 0.84 -0.09 0.48 -1.89 -0.00 -0.17 -4.73 118.68 113.12 1udm s LEU 65 Ca -0.06 -0.46 -0.03 0.00 -0.00 0.00 0.00 54.13 53.58 1udm s LEU 65 Cb -0.08 2.00 -0.02 0.00 -0.00 0.00 0.00 46.19 48.10 1udm s LEU 65 CO -0.05 -0.83 0.74 -0.36 -0.00 0.00 0.00 176.35 175.85 1udm s PHE 66 N -2.74 3.38 -0.25 3.48 0.40 -1.06 0.85 117.98 122.04 1udm s PHE 66 Ca 0.16 0.53 -0.02 0.00 -0.60 0.00 0.00 56.93 57.00 1udm s PHE 66 Cb -0.01 -2.34 0.13 0.00 0.51 0.00 0.00 43.02 41.31 1udm s PHE 66 CO 0.02 -0.37 0.33 0.00 0.70 0.00 0.00 175.22 175.91 1udm s ALA 67 N -2.68 -0.81 -0.50 5.36 0.00 0.25 -0.49 121.76 122.89 1udm s ALA 67 Ca 0.48 0.44 -0.21 0.00 0.00 0.00 0.00 51.96 52.67 1udm s ALA 67 Cb -0.10 -1.68 0.05 0.00 0.00 0.00 0.00 23.12 21.38 1udm s ALA 67 CO 0.41 -1.41 0.69 0.12 0.00 0.00 0.00 175.76 175.58 1udm s PHE 68 N 2.46 3.00 0.04 0.00 5.36 0.90 0.51 117.98 130.26 1udm s PHE 68 Ca 0.10 -0.31 0.06 0.00 -0.96 0.00 0.00 56.93 55.83 1udm s PHE 68 Cb -0.15 -3.59 -0.03 0.00 -0.34 0.00 0.00 43.02 38.91 1udm s PHE 68 CO -0.20 -1.05 -0.14 0.08 -1.46 0.00 0.00 175.22 172.44 1udm s VAL 69 N 2.94 3.09 -0.12 3.12 1.01 -1.13 -1.31 120.40 128.00 1udm s VAL 69 Ca 0.20 -1.09 -0.15 0.00 0.00 0.00 0.00 61.98 60.94 1udm s VAL 69 Cb -0.16 -2.34 -0.05 0.00 0.00 0.00 0.00 36.38 33.83 1udm s VAL 69 CO 0.15 0.32 0.37 -0.60 0.00 0.00 0.00 175.10 175.35 1udm s ARG 70 N -1.54 4.22 -0.26 2.72 3.52 0.20 -1.92 118.95 125.89 1udm s ARG 70 Ca 0.16 0.26 0.00 0.00 -0.13 0.00 0.00 55.73 56.03 1udm s ARG 70 Cb -0.11 -3.39 0.07 0.00 -1.56 0.00 0.00 34.95 29.96 1udm s ARG 70 CO 0.07 0.29 0.01 -0.06 -0.81 0.00 0.00 175.30 174.80 1udm s PHE 71 N 0.26 2.21 -0.05 5.12 0.40 -1.26 -4.89 117.98 119.76 1udm s PHE 71 Ca 0.21 -1.78 -0.30 0.00 -0.60 0.00 0.00 56.93 54.46 1udm s PHE 71 Cb -0.14 -1.70 -0.06 0.00 0.51 0.00 0.00 43.02 41.62 1udm s PHE 71 CO 0.08 -0.80 1.81 0.95 0.70 0.00 0.00 175.22 177.96 1udm s THR 72 N 1.45 3.35 -0.39 0.64 -4.23 -1.26 -3.31 115.64 111.90 1udm s THR 72 Ca 0.01 0.41 -0.12 0.00 -1.18 0.00 0.00 61.69 60.81 1udm s THR 72 Cb -0.18 -3.29 0.03 0.00 1.34 0.00 0.00 72.50 70.40 1udm s THR 72 CO -0.11 -0.06 0.23 0.42 -0.54 0.00 0.00 174.62 174.56 1udm s THR 73 N 4.67 4.68 -0.17 3.99 -4.23 0.10 -4.91 115.64 119.77 1udm s THR 73 Ca 0.81 -0.88 0.16 0.00 -1.18 0.00 0.00 61.69 60.59 1udm s THR 73 Cb -0.36 -3.64 -0.22 0.00 1.34 0.00 0.00 72.50 69.63 1udm s THR 73 CO 0.34 -0.28 0.06 0.61 -0.54 0.00 0.00 174.62 174.81 1udm n GLY 74 N 5.02 -0.87 0.25 3.99 0.00 -1.26 -3.12 105.19 109.20 1udm n GLY 74 Ca -0.12 -0.30 0.09 0.00 0.00 0.00 0.00 46.02 45.70 1udm n GLY 74 CO 0.00 0.00 0.00 -1.80 0.00 0.00 0.00 173.32 171.52 1udm h ASP 75 N 0.00 0.00 -0.05 1.61 1.82 -1.91 0.52 116.42 118.42 1udm h ASP 75 Ca -0.47 0.00 0.00 0.00 -0.39 0.00 0.00 57.03 56.17 1udm h ASP 75 Cb 2.07 0.00 0.00 0.00 0.68 0.00 0.00 39.33 42.08 1udm h ASP 75 CO 0.03 0.00 0.00 0.00 -1.61 0.00 0.00 179.24 177.66 1udm n ALA 76 N -1.68 2.52 -0.83 -0.78 0.00 -1.26 -4.82 120.51 113.67 1udm n ALA 76 Ca -0.01 -0.10 0.00 0.00 0.00 0.00 0.00 53.44 53.33 1udm n ALA 76 Cb 0.42 -1.00 0.00 0.00 0.00 0.00 0.00 19.45 18.87 1udm n ALA 76 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 177.50 176.17 1udm n MET 77 N -0.23 -0.48 -3.79 0.00 2.81 0.18 -4.93 117.12 110.67 1udm n MET 77 Ca 0.02 0.12 -0.13 0.00 -1.81 0.00 0.00 57.70 55.90 1udm n MET 77 Cb 0.13 -3.88 -0.13 0.00 -0.71 0.00 0.00 33.22 28.63 1udm n MET 77 CO 0.00 0.00 0.00 -1.54 1.51 0.00 0.00 175.97 175.94 1udm s SER 78 N -2.24 -0.19 -0.38 7.83 1.04 -1.21 -5.11 113.70 113.45 1udm s SER 78 Ca 0.00 0.37 -0.29 0.00 0.48 0.00 0.00 55.95 56.51 1udm s SER 78 Cb 0.00 0.35 0.02 0.00 0.10 0.00 0.00 66.02 66.49 1udm s SER 78 CO 0.00 -0.08 1.17 -0.75 0.98 0.00 0.00 173.24 174.56 1udm s LYS 79 N 0.34 3.88 0.36 4.02 2.47 -1.26 -4.14 119.74 125.40 1udm s LYS 79 Ca -0.02 0.92 -0.10 0.00 -1.56 0.00 0.00 55.97 55.21 1udm s LYS 79 Cb -0.03 -3.85 0.03 0.00 -1.46 0.00 0.00 37.83 32.51 1udm s LYS 79 CO -0.01 -1.17 0.63 1.03 0.16 0.00 0.00 175.35 175.99 1udm s ARG 80 N 4.15 2.04 -0.09 4.03 0.52 -1.18 -5.00 118.95 123.42 1udm s ARG 80 Ca 0.50 -1.55 -0.00 0.00 -0.52 0.00 0.00 55.73 54.15 1udm s ARG 80 Cb -0.11 0.54 0.02 0.00 0.52 0.00 0.00 34.95 35.92 1udm s ARG 80 CO 0.24 -0.91 -0.06 -1.12 0.02 0.00 0.00 175.30 173.47 1udm s SER 81 N -3.14 1.90 -0.03 0.23 0.01 -1.26 0.03 113.70 111.44 1udm s SER 81 Ca 0.22 -0.24 0.21 0.00 1.31 0.00 0.00 55.95 57.45 1udm s SER 81 Cb -0.03 -0.73 -0.29 0.00 0.21 0.00 0.00 66.02 65.19 1udm s SER 81 CO 0.15 -0.11 0.48 1.17 0.41 0.00 0.00 173.24 175.34 1udm n LYS 82 N 4.75 0.66 -0.17 12.44 3.00 -1.21 -4.92 118.16 132.71 1udm n LYS 82 Ca -0.14 -0.13 0.02 0.00 -0.00 0.00 0.00 58.31 58.07 1udm n LYS 82 Cb 0.50 -1.56 -0.01 0.00 0.00 0.00 0.00 35.03 33.97 1udm n LYS 82 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 177.40 178.59 1udm n PHE 83 N -2.39 -2.02 -3.52 5.64 3.01 -1.26 0.16 117.46 117.07 1udm n PHE 83 Ca -0.08 0.21 0.02 0.00 1.01 0.00 0.00 57.45 58.61 1udm n PHE 83 Cb 0.67 -0.18 -0.06 0.00 -0.01 0.00 0.00 39.48 39.90 1udm n PHE 83 CO 0.00 0.00 0.00 0.00 1.01 0.00 0.00 176.76 177.77 1udm s ALA 84 N -1.83 -2.76 -1.07 4.37 0.00 -0.81 -3.37 121.76 116.30 1udm s ALA 84 Ca 0.00 1.97 -0.22 0.00 0.00 0.00 0.00 51.96 53.72 1udm s ALA 84 Cb 0.00 -2.02 0.06 0.00 0.00 0.00 0.00 23.12 21.15 1udm s ALA 84 CO 0.00 -0.52 1.49 -1.17 0.00 0.00 0.00 175.76 175.56 1udm s LEU 85 N 1.42 3.64 -0.57 0.00 2.96 -0.25 -2.83 118.68 123.04 1udm s LEU 85 Ca -0.06 -1.66 -0.27 0.00 -0.22 0.00 0.00 54.13 51.92 1udm s LEU 85 Cb -0.02 -2.56 -0.00 0.00 0.50 0.00 0.00 46.19 44.10 1udm s LEU 85 CO -0.13 -1.43 1.60 -0.63 -1.32 0.00 0.00 176.35 174.45 1udm s ILE 86 N 4.72 3.59 -0.66 6.68 1.01 0.18 0.12 121.20 136.85 1udm s ILE 86 Ca 0.47 0.46 -0.22 0.00 0.00 0.00 0.00 60.65 61.35 1udm s ILE 86 Cb 0.00 -4.23 0.07 0.00 0.01 0.00 0.00 42.46 38.32 1udm s ILE 86 CO -0.07 -1.07 0.96 -0.89 0.00 0.00 0.00 174.94 173.87 1udm s THR 87 N 7.17 4.34 0.26 2.92 2.01 0.34 0.87 115.64 133.55 1udm s THR 87 Ca 0.59 -0.39 -0.25 0.00 0.31 0.00 0.00 61.69 61.94 1udm s THR 87 Cb -0.12 -4.68 -0.09 0.00 0.01 0.00 0.00 72.50 67.62 1udm s THR 87 CO 0.23 -1.45 0.86 0.86 -0.69 0.00 0.00 174.62 174.43 1udm s TRP 88 N 4.01 3.77 -0.29 4.92 -0.11 0.25 -0.68 118.94 130.81 1udm s TRP 88 Ca 0.22 1.68 0.01 0.00 1.22 0.00 0.00 56.10 59.23 1udm s TRP 88 Cb -0.17 -2.83 0.15 0.00 -1.50 0.00 0.00 33.47 29.12 1udm s TRP 88 CO 0.10 0.34 0.34 0.42 -4.62 0.00 0.00 176.95 173.53 1udm s ILE 89 N -1.44 -0.50 0.03 5.86 1.01 -0.62 -1.00 121.20 124.55 1udm s ILE 89 Ca 0.44 -0.41 -0.28 0.00 0.00 0.00 0.00 60.65 60.41 1udm s ILE 89 Cb -0.20 -0.99 -0.14 0.00 0.01 0.00 0.00 42.46 41.14 1udm s ILE 89 CO 0.25 -0.39 0.71 0.61 0.00 0.00 0.00 174.94 176.11 1udm n GLY 90 N 5.33 -0.42 0.00 6.18 0.00 -0.54 -4.43 105.19 111.30 1udm n GLY 90 Ca -0.01 0.50 0.10 0.00 0.00 0.00 0.00 46.02 46.61 1udm n GLY 90 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 1udm n GLU 91 N 1.03 0.68 -0.00 1.61 2.13 -1.22 -2.49 120.64 122.37 1udm n GLU 91 Ca 0.14 0.00 0.02 0.00 0.66 0.00 0.00 57.16 57.98 1udm n GLU 91 Cb 0.08 -1.46 -0.03 0.00 0.27 0.00 0.00 31.44 30.30 1udm n GLU 91 CO 0.00 0.00 0.00 -3.47 -0.41 0.00 0.00 177.13 173.25 1udm n ASP 92 N -0.96 4.19 -4.53 4.31 2.03 -1.21 -5.05 116.55 115.33 1udm n ASP 92 Ca 0.15 0.00 -0.40 0.00 0.52 0.00 0.00 54.79 55.06 1udm n ASP 92 Cb 0.07 1.15 0.03 0.00 -0.72 0.00 0.00 41.12 41.65 1udm n ASP 92 CO 0.00 0.00 0.00 1.33 -1.92 0.00 0.00 177.20 176.61 1udm n VAL 93 N -1.63 2.47 -2.14 5.18 0.24 -1.04 -4.90 118.33 116.51 1udm n VAL 93 Ca -0.01 -0.50 -0.39 0.00 -2.04 0.00 0.00 64.34 61.40 1udm n VAL 93 Cb 0.10 -0.86 -0.01 0.00 -1.47 0.00 0.00 33.84 31.60 1udm n VAL 93 CO 0.00 0.00 0.00 -0.55 -2.14 0.00 0.00 176.83 174.14 1udm s SER 94 N -1.03 6.42 0.12 -1.34 0.15 -1.26 -4.84 113.70 111.92 1udm s SER 94 Ca 0.67 2.55 -0.21 0.00 0.70 0.00 0.00 55.95 59.67 1udm s SER 94 Cb -0.50 -2.63 -0.03 0.00 -1.71 0.00 0.00 66.02 61.15 1udm s SER 94 CO 0.54 -0.76 1.08 0.61 1.20 0.00 0.00 173.24 175.91 1udm n GLY 95 N 0.69 -1.79 0.03 9.45 0.00 -1.26 -1.19 105.19 111.11 1udm n GLY 95 Ca 0.04 0.83 -0.01 0.00 0.00 0.00 0.00 46.02 46.88 1udm n GLY 95 CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22 1udm n LEU 96 N -4.89 -0.06 -0.33 0.99 0.00 -1.26 0.11 117.00 111.56 1udm n LEU 96 Ca 0.02 0.74 0.14 0.00 0.00 0.00 0.00 56.01 56.91 1udm n LEU 96 Cb 0.19 -0.33 0.29 0.00 0.00 0.00 0.00 43.42 43.57 1udm n LEU 96 CO -0.11 -0.40 0.83 1.56 0.00 0.00 0.00 177.39 179.26 1udm h GLN 97 N 0.00 0.04 -0.17 1.96 7.50 -1.52 1.49 115.11 124.41 1udm h GLN 97 Ca 0.01 -0.00 -0.09 0.00 0.50 0.00 0.00 58.65 59.06 1udm h GLN 97 Cb 0.03 -0.01 -0.01 0.00 0.05 0.00 0.00 27.48 27.53 1udm h GLN 97 CO -0.06 0.02 -0.30 -0.09 -1.50 0.00 0.00 178.83 176.90 1udm h ARG 98 N 0.04 0.33 0.00 1.46 1.12 0.93 0.14 114.38 118.40 1udm h ARG 98 Ca 0.59 -0.13 0.00 0.00 -1.11 0.00 0.00 59.98 59.33 1udm h ARG 98 Cb 1.21 -0.02 0.00 0.00 -0.01 0.00 0.00 29.97 31.15 1udm h ARG 98 CO -0.87 0.61 0.00 0.00 -3.11 0.00 0.00 179.97 176.60 1udm h ALA 99 N 1.40 1.00 0.06 2.80 0.00 0.67 -3.27 119.26 121.92 1udm h ALA 99 Ca 0.04 0.00 -0.38 0.00 0.00 0.00 0.00 54.91 54.57 1udm h ALA 99 Cb 0.68 0.00 -0.05 0.00 0.00 0.00 0.00 17.79 18.43 1udm h ALA 99 CO 0.05 0.00 -2.24 1.63 0.00 0.00 0.00 179.25 178.69 1udm n LYS 100 N -2.45 0.70 -0.34 0.00 4.76 0.14 -3.77 118.16 117.20 1udm n LYS 100 Ca 0.05 0.20 0.09 0.00 -2.87 0.00 0.00 58.31 55.77 1udm n LYS 100 Cb 0.44 -1.61 0.28 0.00 -1.84 0.00 0.00 35.03 32.29 1udm n LYS 100 CO 0.00 0.00 0.00 1.15 -1.37 0.00 0.00 177.40 177.18 1udm h THR 101 N 0.03 0.89 -0.06 -0.18 2.02 -0.81 0.17 112.91 114.97 1udm h THR 101 Ca -0.50 -0.31 -0.22 0.00 0.77 0.00 0.00 66.41 66.14 1udm h THR 101 Cb 1.97 -0.09 0.01 0.00 -1.74 0.00 0.00 68.15 68.30 1udm h THR 101 CO -0.00 0.17 -0.87 1.23 0.37 0.00 0.00 175.52 176.42 1udm h GLY 102 N 0.91 0.63 1.82 2.16 0.00 -1.75 -3.06 103.07 103.78 1udm h GLY 102 Ca 0.48 -0.99 -0.12 0.00 0.00 0.00 0.00 47.33 46.71 1udm h GLY 102 CO -0.25 0.87 -0.49 -0.84 0.00 0.00 0.00 176.54 175.83 1udm h THR 103 N 0.35 1.34 -0.10 4.70 2.02 -1.40 -2.50 112.91 117.33 1udm h THR 103 Ca -0.07 -1.71 0.00 0.00 0.77 0.00 0.00 66.41 65.40 1udm h THR 103 Cb 1.49 1.83 0.00 0.00 -1.74 0.00 0.00 68.15 69.73 1udm h THR 103 CO 0.16 0.50 0.00 0.47 0.37 0.00 0.00 175.52 177.03 1udm n ASP 104 N -3.96 0.84 0.07 4.18 9.92 0.49 -3.73 116.55 124.36 1udm n ASP 104 Ca -0.02 -1.67 -0.07 0.00 -0.53 0.00 0.00 54.79 52.50 1udm n ASP 104 Cb 0.53 -0.07 0.07 0.00 -0.64 0.00 0.00 41.12 41.01 1udm n ASP 104 CO 0.00 0.00 0.00 0.50 0.13 0.00 0.00 177.20 177.83 1udm h LYS 105 N 1.06 0.32 -0.00 -1.24 3.64 -1.34 -2.95 116.57 116.06 1udm h LYS 105 Ca 0.00 -0.24 0.00 0.00 -1.27 0.00 0.00 60.65 59.14 1udm h LYS 105 Cb 0.23 0.05 -0.00 0.00 -0.41 0.00 0.00 32.23 32.10 1udm h LYS 105 CO 0.00 0.87 0.02 1.15 -2.27 0.00 0.00 179.45 179.23 1udm h THR 106 N 0.23 0.05 0.02 1.00 2.02 -1.75 -1.07 112.91 113.41 1udm h THR 106 Ca -0.02 0.00 -0.10 0.00 0.77 0.00 0.00 66.41 67.06 1udm h THR 106 Cb 1.21 0.98 -0.01 0.00 -1.74 0.00 0.00 68.15 68.59 1udm h THR 106 CO 0.11 0.00 -0.54 -0.07 0.37 0.00 0.00 175.52 175.39 1udm h LEU 107 N 0.00 0.08 -1.64 2.58 4.07 -1.79 -3.23 115.31 115.38 1udm h LEU 107 Ca 0.00 -0.85 -0.03 0.00 0.08 0.00 0.00 57.88 57.08 1udm h LEU 107 Cb 0.05 -0.03 -0.01 0.00 1.08 0.00 0.00 40.66 41.76 1udm h LEU 107 CO -0.00 1.22 -0.13 0.58 -1.08 0.00 0.00 178.44 179.04 1udm h VAL 108 N -0.88 1.12 -0.16 1.22 2.07 -1.44 -2.09 116.25 116.09 1udm h VAL 108 Ca -0.13 -0.55 -0.11 0.00 0.82 0.00 0.00 66.70 66.73 1udm h VAL 108 Cb 1.21 1.23 -0.01 0.00 -1.52 0.00 0.00 31.29 32.20 1udm h VAL 108 CO -0.04 0.16 -0.36 0.50 0.02 0.00 0.00 177.57 177.86 1udm h LYS 109 N 0.07 0.34 -0.91 1.57 3.11 -1.34 -2.28 116.57 117.14 1udm h LYS 109 Ca 0.01 -0.15 0.21 0.00 -2.81 0.00 0.00 60.65 57.92 1udm h LYS 109 Cb 0.27 -0.01 -0.12 0.00 -1.00 0.00 0.00 32.23 31.37 1udm h LYS 109 CO 0.02 0.66 0.44 0.93 -2.81 0.00 0.00 179.45 178.68 1udm h GLU 110 N 0.29 0.46 0.06 1.90 4.39 -1.39 -0.90 114.58 119.39 1udm h GLU 110 Ca 0.03 -0.03 -0.30 0.00 0.34 0.00 0.00 59.36 59.41 1udm h GLU 110 Cb 0.78 -0.10 -0.03 0.00 -0.10 0.00 0.00 28.75 29.30 1udm h GLU 110 CO 0.06 0.30 -1.58 0.28 -1.16 0.00 0.00 179.01 176.91 1udm h VAL 111 N 0.47 1.05 -3.54 3.13 2.07 -1.65 -3.42 116.25 114.36 1udm h VAL 111 Ca 0.56 -2.79 -0.76 0.00 0.82 0.00 0.00 66.70 64.53 1udm h VAL 111 Cb 1.02 2.62 -0.27 0.00 -1.52 0.00 0.00 31.29 33.14 1udm h VAL 111 CO -0.49 0.73 -0.10 -0.69 0.02 0.00 0.00 177.57 177.04 1udm s VAL 112 N -2.62 5.08 0.00 2.57 1.01 -0.35 -4.76 120.40 121.34 1udm s VAL 112 Ca -0.08 -2.22 0.00 0.00 0.00 0.00 0.00 61.98 59.69 1udm s VAL 112 Cb 0.08 -4.21 0.00 0.00 0.00 0.00 0.00 36.38 32.25 1udm s VAL 112 CO 0.83 -0.94 0.00 0.00 0.00 0.00 0.00 175.10 174.99 1udm n GLN 113 N 4.33 3.02 0.28 2.72 6.02 -1.22 -4.53 117.38 128.01 1udm n GLN 113 Ca 0.04 0.00 0.17 0.00 -0.01 0.00 0.00 57.00 57.19 1udm n GLN 113 Cb 0.43 -0.99 0.77 0.00 1.02 0.00 0.00 30.24 31.48 1udm n GLN 113 CO 0.00 0.00 0.00 -0.97 -1.01 0.00 0.00 177.06 175.08 1udm h ASN 114 N 0.00 0.00 -1.10 1.08 -0.73 -1.92 -3.44 115.58 109.47 1udm h ASN 114 Ca 0.00 0.00 -0.03 0.00 1.87 0.00 0.00 56.30 58.14 1udm h ASN 114 Cb 0.97 0.00 0.02 0.00 0.27 0.00 0.00 38.32 39.58 1udm h ASN 114 CO 0.00 0.04 -0.01 2.22 -0.37 0.00 0.00 177.43 179.31 1udm n PHE 115 N -3.20 -2.04 -0.02 0.67 -1.74 -1.26 -4.87 117.46 105.00 1udm n PHE 115 Ca -0.01 -0.06 -0.02 0.00 -0.56 0.00 0.00 57.45 56.81 1udm n PHE 115 Cb 0.26 -0.10 -0.01 0.00 1.52 0.00 0.00 39.48 41.16 1udm n PHE 115 CO 0.00 0.00 0.00 0.00 -0.56 0.00 0.00 176.76 176.20 1udm n ALA 116 N -3.07 0.15 -3.58 1.98 0.00 0.43 -4.91 120.51 111.51 1udm n ALA 116 Ca -0.01 -0.29 -0.10 0.00 0.00 0.00 0.00 53.44 53.04 1udm n ALA 116 Cb 0.04 0.01 -0.02 0.00 0.00 0.00 0.00 19.45 19.48 1udm n ALA 116 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 177.50 177.71 1udm s LYS 117 N -1.35 1.42 -0.19 0.00 2.20 -1.26 -5.04 119.74 115.52 1udm s LYS 117 Ca -0.05 -0.63 -0.22 0.00 -0.36 0.00 0.00 55.97 54.71 1udm s LYS 117 Cb 0.01 0.58 -0.02 0.00 -1.51 0.00 0.00 37.83 36.88 1udm s LYS 117 CO 0.07 -0.63 0.67 -1.83 -0.36 0.00 0.00 175.35 173.27 1udm s GLU 118 N -3.75 4.23 -0.54 4.03 4.04 -1.26 -1.09 118.70 124.36 1udm s GLU 118 Ca 0.05 0.70 -0.16 0.00 0.04 0.00 0.00 54.97 55.60 1udm s GLU 118 Cb -0.03 -3.58 0.12 0.00 0.02 0.00 0.00 34.13 30.67 1udm s GLU 118 CO -0.06 -0.26 0.53 -0.06 -1.84 0.00 0.00 175.26 173.57 1udm s PHE 119 N 1.96 3.20 -0.69 4.83 0.40 0.33 -4.87 117.98 123.14 1udm s PHE 119 Ca 0.31 -1.19 -0.26 0.00 -0.60 0.00 0.00 56.93 55.19 1udm s PHE 119 Cb -0.16 -3.77 0.04 0.00 0.51 0.00 0.00 43.02 39.64 1udm s PHE 119 CO 0.11 -1.05 1.17 0.54 0.70 0.00 0.00 175.22 176.69 1udm s VAL 120 N 1.80 3.95 0.02 -0.44 0.11 -1.26 0.13 120.40 124.71 1udm s VAL 120 Ca 0.05 0.29 0.03 0.00 -2.93 0.00 0.00 61.98 59.41 1udm s VAL 120 Cb -0.28 -4.81 -0.04 0.00 -1.53 0.00 0.00 36.38 29.72 1udm s VAL 120 CO 0.04 -1.64 -0.04 -0.63 -3.33 0.00 0.00 175.10 169.50 1udm s ILE 121 N 5.12 3.84 -0.01 7.04 1.01 0.14 -4.93 121.20 133.41 1udm s ILE 121 Ca 0.33 -0.78 0.00 0.00 0.00 0.00 0.00 60.65 60.20 1udm s ILE 121 Cb -0.10 -2.72 -0.00 0.00 0.01 0.00 0.00 42.46 39.65 1udm s ILE 121 CO 0.16 0.33 0.01 -1.54 0.00 0.00 0.00 174.94 173.90 1udm n SER 122 N 1.31 3.41 -4.22 3.58 3.41 -1.26 -1.58 113.62 118.27 1udm n SER 122 Ca -0.14 -0.16 -0.32 0.00 -0.26 0.00 0.00 58.87 57.99 1udm n SER 122 Cb 0.52 1.01 -0.16 0.00 -0.26 0.00 0.00 64.21 65.32 1udm n SER 122 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 1udm s ASP 123 N -1.73 3.25 0.37 4.04 2.15 -1.26 -3.44 116.67 120.05 1udm s ASP 123 Ca -0.00 -0.55 0.12 0.00 0.43 0.00 0.00 52.55 52.55 1udm s ASP 123 Cb 0.00 -1.46 0.92 0.00 -0.30 0.00 0.00 42.92 42.08 1udm s ASP 123 CO 0.01 0.12 1.84 0.03 -0.17 0.00 0.00 175.17 177.00 1udm h ARG 124 N 7.06 0.57 0.00 4.34 3.08 -1.94 0.29 114.38 127.78 1udm h ARG 124 Ca -0.27 -0.03 0.00 0.00 0.07 0.00 0.00 59.98 59.74 1udm h ARG 124 Cb 1.21 -0.13 0.00 0.00 0.08 0.00 0.00 29.97 31.13 1udm h ARG 124 CO 0.53 0.37 0.22 1.63 -1.07 0.00 0.00 179.97 181.65 1udm n LYS 125 N -4.59 0.09 -0.01 0.04 4.01 -1.26 0.89 118.16 117.34 1udm n LYS 125 Ca 0.20 0.57 0.09 0.00 -0.51 0.00 0.00 58.31 58.66 1udm n LYS 125 Cb 0.60 -2.03 -0.14 0.00 -0.51 0.00 0.00 35.03 32.96 1udm n LYS 125 CO 0.00 0.00 0.00 0.39 -1.11 0.00 0.00 177.40 176.68 1udm n GLU 126 N -2.04 0.66 0.12 1.97 1.02 0.10 -4.26 120.64 118.21 1udm n GLU 126 Ca -0.01 -0.13 0.11 0.00 -0.02 0.00 0.00 57.16 57.11 1udm n GLU 126 Cb 0.24 -1.43 0.47 0.00 -0.02 0.00 0.00 31.44 30.70 1udm n GLU 126 CO 0.00 0.00 0.00 1.28 1.18 0.00 0.00 177.13 179.59 1udm n LEU 127 N -1.97 0.55 -4.47 -4.62 7.99 0.26 -4.54 117.00 110.19 1udm n LEU 127 Ca -0.02 0.65 -0.46 0.00 -0.01 0.00 0.00 56.01 56.18 1udm n LEU 127 Cb 0.44 -0.60 -0.08 0.00 -0.11 0.00 0.00 43.42 43.07 1udm n LEU 127 CO 0.39 -0.58 1.94 -0.62 -1.51 0.00 0.00 177.39 177.02 1udm n GLU 128 N -2.13 0.78 -0.43 3.23 1.02 -1.22 -4.73 120.64 117.15 1udm n GLU 128 Ca 0.02 0.15 0.36 0.00 -0.02 0.00 0.00 57.16 57.66 1udm n GLU 128 Cb 0.19 -2.42 0.59 0.00 -0.02 0.00 0.00 31.44 29.77 1udm n GLU 128 CO 0.00 0.00 0.00 -0.85 1.18 0.00 0.00 177.13 177.46 1udm n GLU 129 N 8.41 -0.02 -0.11 3.49 0.28 -1.26 0.15 120.64 131.57 1udm n GLU 129 Ca 0.46 1.02 -0.05 0.00 -0.16 0.00 0.00 57.16 58.43 1udm n GLU 129 Cb 0.24 -2.07 0.02 0.00 1.43 0.00 0.00 31.44 31.07 1udm n GLU 129 CO 0.00 0.00 0.00 -0.44 -0.16 0.00 0.00 177.13 176.53 1udm h ASP 130 N 0.00 -0.11 -0.09 -1.84 5.19 -1.93 -0.17 116.42 117.47 1udm h ASP 130 Ca 0.74 0.08 -0.09 0.00 -0.62 0.00 0.00 57.03 57.14 1udm h ASP 130 Cb 2.52 0.13 -0.01 0.00 0.18 0.00 0.00 39.33 42.15 1udm h ASP 130 CO -0.32 -0.02 -0.22 0.15 -3.12 0.00 0.00 179.24 175.71 1udm h PHE 131 N 0.13 0.56 0.39 4.55 3.57 0.10 -2.98 116.94 123.25 1udm h PHE 131 Ca 0.18 -0.11 -0.02 0.00 3.53 0.00 0.00 57.97 61.55 1udm h PHE 131 Cb 0.25 -0.14 0.00 0.00 2.79 0.00 0.00 35.95 38.85 1udm h PHE 131 CO -0.24 0.69 -0.19 0.82 -2.23 0.00 0.00 178.31 177.17 1udm h ILE 132 N 0.45 0.62 -0.19 1.41 1.08 -1.02 -3.06 117.51 116.81 1udm h ILE 132 Ca 0.07 -0.22 0.05 0.00 -0.39 0.00 0.00 64.86 64.37 1udm h ILE 132 Cb 0.64 0.74 -0.07 0.00 -3.07 0.00 0.00 36.82 35.05 1udm h ILE 132 CO 0.05 0.04 -0.38 0.03 -0.69 0.00 0.00 178.15 177.20 1udm h ARG 133 N -0.64 -0.41 -1.15 2.37 -0.00 -1.05 0.16 114.38 113.66 1udm h ARG 133 Ca -0.05 0.03 0.39 0.00 -0.50 0.00 0.00 59.98 59.84 1udm h ARG 133 Cb 0.47 0.09 -0.14 0.00 0.00 0.00 0.00 29.97 30.39 1udm h ARG 133 CO 0.09 -0.27 0.70 0.77 0.00 0.00 0.00 179.97 181.26 1udm h SER 134 N -0.42 0.35 0.42 7.04 0.02 -1.52 0.11 113.55 119.55 1udm h SER 134 Ca 0.10 0.17 -0.02 0.00 -0.84 0.00 0.00 61.79 61.20 1udm h SER 134 Cb 0.59 0.15 0.00 0.00 0.14 0.00 0.00 62.40 63.28 1udm h SER 134 CO -0.42 -0.20 -0.20 -0.33 -1.14 0.00 0.00 176.83 174.55 1udm h GLU 135 N 0.16 -0.54 -0.93 3.45 4.39 -0.88 -3.20 114.58 117.03 1udm h GLU 135 Ca 0.78 0.04 0.18 0.00 0.34 0.00 0.00 59.36 60.70 1udm h GLU 135 Cb 2.18 0.12 -0.11 0.00 -0.10 0.00 0.00 28.75 30.84 1udm h GLU 135 CO -0.53 -0.23 0.51 -0.07 -1.16 0.00 0.00 179.01 177.53 1udm h LEU 136 N -0.95 0.61 -1.00 1.33 3.38 -0.33 0.25 115.31 118.60 1udm h LEU 136 Ca -0.06 0.11 0.29 0.00 0.09 0.00 0.00 57.88 58.31 1udm h LEU 136 Cb 0.56 0.01 -0.19 0.00 0.09 0.00 0.00 40.66 41.13 1udm h LEU 136 CO 0.09 0.20 0.09 0.29 0.09 0.00 0.00 178.44 179.20 1udm n LYS 137 N -4.86 -0.08 -0.11 1.13 5.02 -0.17 -2.07 118.16 117.03 1udm n LYS 137 Ca 0.21 1.48 -0.24 0.00 -2.02 0.00 0.00 58.31 57.74 1udm n LYS 137 Cb 0.54 -2.39 -0.11 0.00 -0.02 0.00 0.00 35.03 33.05 1udm n LYS 137 CO 0.00 0.00 0.00 0.36 -0.52 0.00 0.00 177.40 177.24 1udm n LYS 138 N -5.47 0.62 -3.50 1.97 2.85 -0.44 -5.02 118.16 109.18 1udm n LYS 138 Ca 0.25 0.31 -0.21 0.00 -1.05 0.00 0.00 58.31 57.61 1udm n LYS 138 Cb 0.84 -1.58 0.08 0.00 -0.65 0.00 0.00 35.03 33.71 1udm n LYS 138 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 177.40 177.35 1udm n ALA 139 N -3.67 -1.52 0.00 0.58 0.00 0.77 -4.74 120.51 111.92 1udm n ALA 139 Ca -0.45 0.23 0.00 0.00 0.00 0.00 0.00 53.44 53.22 1udm n ALA 139 Cb 0.89 -4.29 0.00 0.00 0.00 0.00 0.00 19.45 16.05 1udm n ALA 139 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1udm n GLY 140 N -1.66 -2.48 2.48 0.00 0.00 -1.26 -4.93 105.19 97.34 1udm n GLY 140 Ca -0.10 -1.80 -0.04 0.00 0.00 0.00 0.00 46.02 44.09 1udm n GLY 140 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1udm n GLY 141 N -0.18 0.61 3.34 -0.02 0.00 -1.26 -5.15 105.19 102.51 1udm n GLY 141 Ca 0.00 -0.09 -0.17 0.00 0.00 0.00 0.00 46.02 45.76 1udm n GLY 141 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1udm s ALA 142 N 0.10 1.83 -0.10 4.61 0.00 -1.26 -5.15 121.76 121.79 1udm s ALA 142 Ca 0.10 -1.89 -0.03 0.00 0.00 0.00 0.00 51.96 50.14 1udm s ALA 142 Cb 0.26 1.00 0.05 0.00 0.00 0.00 0.00 23.12 24.42 1udm s ALA 142 CO -0.07 -0.44 0.09 0.54 0.00 0.00 0.00 175.76 175.89 1udm s ASN 143 N -3.34 1.51 -0.04 0.00 4.22 -1.26 -5.00 114.94 111.02 1udm s ASN 143 Ca 0.38 -0.14 0.00 0.00 -2.14 0.00 0.00 52.86 50.96 1udm s ASN 143 Cb 0.08 -0.10 -0.03 0.00 1.28 0.00 0.00 41.25 42.48 1udm s ASN 143 CO 0.14 -0.29 -0.04 -1.22 -2.04 0.00 0.00 177.10 173.65 1udm n TYR 144 N 5.30 0.00 0.16 1.54 4.02 -1.26 -4.78 117.16 122.14 1udm n TYR 144 Ca -0.05 0.00 -0.17 0.00 -0.01 0.00 0.00 57.90 57.68 1udm n TYR 144 Cb 0.50 -0.17 -0.10 0.00 -0.02 0.00 0.00 39.34 39.55 1udm n TYR 144 CO 0.00 0.00 0.00 -0.44 -1.01 0.00 0.00 176.86 175.41 1udm h ASP 145 N 0.00 -1.51 -4.30 7.72 5.19 -2.09 -3.43 116.42 118.00 1udm h ASP 145 Ca -0.10 0.15 -0.51 0.00 -0.62 0.00 0.00 57.03 55.96 1udm h ASP 145 Cb 1.15 0.54 -0.24 0.00 0.18 0.00 0.00 39.33 40.96 1udm h ASP 145 CO -0.02 -0.59 -0.81 0.00 -3.12 0.00 0.00 179.24 174.71 1udm s ALA 146 N -5.81 1.47 0.23 3.45 0.00 -1.26 -5.15 121.76 114.68 1udm s ALA 146 Ca -0.17 -0.98 0.05 0.00 0.00 0.00 0.00 51.96 50.86 1udm s ALA 146 Cb 0.06 -0.24 -0.03 0.00 0.00 0.00 0.00 23.12 22.90 1udm s ALA 146 CO 0.61 0.30 0.29 -0.65 0.00 0.00 0.00 175.76 176.31 1udm s GLN 147 N -1.31 3.27 0.13 0.00 -0.21 -1.26 -4.87 119.66 115.40 1udm s GLN 147 Ca 0.04 -0.83 -0.08 0.00 0.02 0.00 0.00 55.36 54.52 1udm s GLN 147 Cb -0.09 -2.80 -0.01 0.00 1.00 0.00 0.00 33.01 31.12 1udm s GLN 147 CO 0.02 0.44 0.22 -1.54 -2.12 0.00 0.00 175.29 172.30 1udm s SER 148 N -3.79 0.11 0.00 5.90 1.04 -1.26 -5.18 113.70 110.52 1udm s SER 148 Ca 0.34 -0.82 0.00 0.00 0.48 0.00 0.00 55.95 55.94 1udm s SER 148 Cb -0.09 0.38 0.00 0.00 0.10 0.00 0.00 66.02 66.41 1udm s SER 148 CO 0.27 -0.80 0.00 -0.62 0.98 0.00 0.00 173.24 173.07