#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1udm h SER 2 N 0.00 0.39 -1.40 1.61 4.64 -2.05 -3.50 113.55 113.24 1udm h SER 2 Ca 0.00 -0.86 0.04 0.00 -0.47 0.00 0.00 61.79 60.49 1udm h SER 2 Cb 0.00 -0.13 -0.01 0.00 -0.31 0.00 0.00 62.40 61.95 1udm h SER 2 CO 0.00 1.71 -0.05 -0.62 -0.87 0.00 0.00 176.83 177.00 1udm n GLU 3 N -3.79 -0.28 -2.26 4.77 4.71 -1.26 -4.75 120.64 117.78 1udm n GLU 3 Ca -0.28 0.18 -0.38 0.00 -0.01 0.00 0.00 57.16 56.67 1udm n GLU 3 Cb 0.95 -0.34 -0.02 0.00 -1.01 0.00 0.00 31.44 31.03 1udm n GLU 3 CO 0.00 0.00 0.00 0.20 0.09 0.00 0.00 177.13 177.42 1udm s GLY 4 N -5.80 2.84 0.17 0.62 0.00 -1.26 -4.92 107.32 98.97 1udm s GLY 4 Ca 0.00 0.98 -0.24 0.00 0.00 0.00 0.00 44.72 45.46 1udm s GLY 4 CO 0.00 1.48 1.42 0.00 0.00 0.00 0.00 173.10 176.00 1udm n ALA 5 N -0.11 -0.41 -2.49 3.20 0.00 -1.26 -4.28 120.51 115.16 1udm n ALA 5 Ca 0.05 0.83 -0.38 0.00 0.00 0.00 0.00 53.44 53.95 1udm n ALA 5 Cb 0.47 -0.23 -0.06 0.00 0.00 0.00 0.00 19.45 19.63 1udm n ALA 5 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1udm s ALA 6 N -5.61 3.69 -0.43 0.00 0.00 -1.26 -5.06 121.76 113.09 1udm s ALA 6 Ca -0.12 -0.21 -0.15 0.00 0.00 0.00 0.00 51.96 51.48 1udm s ALA 6 Cb 0.13 -2.40 0.04 0.00 0.00 0.00 0.00 23.12 20.90 1udm s ALA 6 CO 0.60 0.48 0.33 0.95 0.00 0.00 0.00 175.76 178.13 1udm s THR 7 N -1.13 5.23 -0.19 0.00 -4.23 -1.26 -4.92 115.64 109.14 1udm s THR 7 Ca 0.26 -0.80 -0.17 0.00 -1.18 0.00 0.00 61.69 59.79 1udm s THR 7 Cb -0.17 -3.99 -0.07 0.00 1.34 0.00 0.00 72.50 69.62 1udm s THR 7 CO 0.14 -0.40 -0.34 0.23 -0.54 0.00 0.00 174.62 173.71 1udm n MET 8 N 5.17 0.54 -2.21 3.99 2.81 -1.26 -4.98 117.12 121.18 1udm n MET 8 Ca -0.11 0.23 -0.39 0.00 -1.81 0.00 0.00 57.70 55.61 1udm n MET 8 Cb 0.46 -1.45 -0.02 0.00 -0.71 0.00 0.00 33.22 31.51 1udm n MET 8 CO 0.00 0.00 0.00 0.00 1.51 0.00 0.00 175.97 177.48 1udm s ALA 9 N -2.85 3.24 0.06 3.04 0.00 -1.26 -5.04 121.76 118.95 1udm s ALA 9 Ca -0.30 1.08 0.08 0.00 0.00 0.00 0.00 51.96 52.82 1udm s ALA 9 Cb 0.05 -3.42 -0.03 0.00 0.00 0.00 0.00 23.12 19.72 1udm s ALA 9 CO 0.43 -0.61 -0.23 0.99 0.00 0.00 0.00 175.76 176.34 1udm s THR 10 N -1.31 1.86 0.21 0.00 2.01 -1.26 -4.99 115.64 112.16 1udm s THR 10 Ca 0.55 -1.36 0.07 0.00 0.31 0.00 0.00 61.69 61.26 1udm s THR 10 Cb -0.34 -1.62 -0.05 0.00 0.01 0.00 0.00 72.50 70.50 1udm s THR 10 CO 0.44 0.20 -0.11 -0.54 -0.69 0.00 0.00 174.62 173.92 1udm s LYS 11 N -1.39 1.33 0.10 4.92 -0.14 -1.21 -5.05 119.74 118.30 1udm s LYS 11 Ca 0.09 -1.61 0.07 0.00 -1.36 0.00 0.00 55.97 53.16 1udm s LYS 11 Cb -0.09 -0.99 -0.03 0.00 -1.68 0.00 0.00 37.83 35.03 1udm s LYS 11 CO 0.03 0.11 -0.18 -1.50 -0.76 0.00 0.00 175.35 173.04 1udm s ILE 12 N -3.08 1.53 -0.29 2.17 2.07 -1.26 -0.51 121.20 121.82 1udm s ILE 12 Ca 0.24 -1.52 -0.03 0.00 -1.41 0.00 0.00 60.65 57.93 1udm s ILE 12 Cb 0.01 -1.44 0.05 0.00 0.13 0.00 0.00 42.46 41.22 1udm s ILE 12 CO 0.07 -0.15 2.59 0.47 -1.91 0.00 0.00 174.94 176.01 1udm n ASP 13 N 1.05 6.16 -0.05 4.50 9.92 -0.20 -4.76 116.55 133.17 1udm n ASP 13 Ca -0.19 -2.96 0.01 0.00 -0.53 0.00 0.00 54.79 51.11 1udm n ASP 13 Cb 0.54 -1.19 0.02 0.00 -0.64 0.00 0.00 41.12 39.85 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 1.02 -0.02 0.11 -1.24 5.02 -1.26 0.26 118.16 122.06 1udm n LYS 14 Ca 0.37 0.23 -0.14 0.00 -2.02 0.00 0.00 58.31 56.75 1udm n LYS 14 Cb 0.62 -0.34 -0.07 0.00 -0.02 0.00 0.00 35.03 35.21 1udm n LYS 14 CO 0.00 0.00 0.00 1.05 -0.52 0.00 0.00 177.40 177.93 1udm h GLU 15 N 0.00 -0.62 -0.14 1.97 4.11 -1.99 0.38 114.58 118.28 1udm h GLU 15 Ca 0.07 0.04 -0.12 0.00 0.07 0.00 0.00 59.36 59.43 1udm h GLU 15 Cb 0.11 0.14 -0.01 0.00 0.50 0.00 0.00 28.75 29.49 1udm h GLU 15 CO -0.15 -0.42 -0.42 0.00 0.07 0.00 0.00 179.01 178.09 1udm h ALA 16 N -0.17 1.02 0.67 1.06 0.00 0.32 -3.21 119.26 118.95 1udm h ALA 16 Ca 0.02 -0.43 -0.03 0.00 0.00 0.00 0.00 54.91 54.47 1udm h ALA 16 Cb 0.68 -0.09 0.01 0.00 0.00 0.00 0.00 17.79 18.38 1udm h ALA 16 CO -0.25 0.62 -0.32 0.00 0.00 0.00 0.00 179.25 179.29 1udm h ARG 18 N -1.01 0.04 0.06 0.00 2.43 -0.34 0.42 114.38 115.99 1udm h ARG 18 Ca -0.09 -0.00 0.02 0.00 -0.81 0.00 0.00 59.98 59.09 1udm h ARG 18 Cb 0.69 -0.01 -0.02 0.00 -0.42 0.00 0.00 29.97 30.21 1udm h ARG 18 CO 0.15 0.03 -0.15 0.00 -1.51 0.00 0.00 179.97 178.49 1udm h ALA 19 N 1.97 -0.23 -0.26 2.80 0.00 -1.53 -0.32 119.26 121.69 1udm h ALA 19 Ca 0.73 -0.01 -0.01 0.00 0.00 0.00 0.00 54.91 55.62 1udm h ALA 19 Cb 1.76 0.25 -0.01 0.00 0.00 0.00 0.00 17.79 19.78 1udm h ALA 19 CO -0.80 -0.66 0.12 0.00 0.00 0.00 0.00 179.25 177.91 1udm h ALA 20 N 0.61 0.34 0.00 0.00 0.00 -0.06 -1.03 119.26 119.12 1udm h ALA 20 Ca 0.03 -0.09 -0.00 0.00 0.00 0.00 0.00 54.91 54.85 1udm h ALA 20 Cb 0.32 -0.10 -0.00 0.00 0.00 0.00 0.00 17.79 18.00 1udm h ALA 20 CO -0.11 -0.10 -0.00 -0.92 0.00 0.00 0.00 179.25 178.12 1udm h TYR 21 N 0.29 0.00 0.12 0.00 3.20 -0.79 -2.25 116.97 117.54 1udm h TYR 21 Ca 0.09 0.00 -0.27 0.00 3.14 0.00 0.00 58.73 61.68 1udm h TYR 21 Cb 0.13 0.00 -0.00 0.00 1.54 0.00 0.00 36.73 38.39 1udm h TYR 21 CO -0.02 0.00 -1.40 -0.91 -1.64 0.00 0.00 178.16 174.20 1udm h ASN 22 N 0.00 0.40 0.00 -2.11 2.35 -0.29 -2.66 115.58 113.27 1udm h ASN 22 Ca -0.00 -0.86 0.00 0.00 -0.55 0.00 0.00 56.30 54.89 1udm h ASN 22 Cb 0.03 -0.13 0.00 0.00 0.05 0.00 0.00 38.32 38.27 1udm h ASN 22 CO 0.00 1.61 0.27 -0.07 -1.65 0.00 0.00 177.43 177.59 1udm h LEU 23 N -0.29 0.00 0.00 1.61 -0.00 -0.59 0.42 115.31 116.46 1udm h LEU 23 Ca -0.30 0.00 -0.08 0.00 -0.00 0.00 0.00 57.88 57.50 1udm h LEU 23 Cb 1.77 0.00 -0.02 0.00 -0.00 0.00 0.00 40.66 42.41 1udm h LEU 23 CO 0.07 0.00 -1.55 0.55 -0.00 0.00 0.00 178.44 177.51 1udm n VAL 24 N -2.12 0.31 0.06 1.22 3.14 -1.19 -3.62 118.33 116.14 1udm n VAL 24 Ca -0.01 -0.31 -0.05 0.00 -2.96 0.00 0.00 64.34 61.01 1udm n VAL 24 Cb 0.29 -0.22 -0.09 0.00 -1.06 0.00 0.00 33.84 32.76 1udm n VAL 24 CO 0.00 0.00 0.00 0.08 -6.46 0.00 0.00 176.83 170.45 1udm h ARG 25 N 0.00 0.00 -7.21 1.45 0.11 -0.20 -3.44 114.38 105.09 1udm h ARG 25 Ca -0.12 0.00 -0.51 0.00 0.10 0.00 0.00 59.98 59.45 1udm h ARG 25 Cb 1.00 0.00 0.11 0.00 1.11 0.00 0.00 29.97 32.19 1udm h ARG 25 CO 0.01 0.76 0.37 0.34 0.10 0.00 0.00 179.97 181.55 1udm s ASP 26 N -6.50 4.95 -0.69 0.08 2.15 0.11 -4.93 116.67 111.84 1udm s ASP 26 Ca 0.01 2.02 -0.27 0.00 0.43 0.00 0.00 52.55 54.74 1udm s ASP 26 Cb 0.09 -2.55 0.01 0.00 -0.30 0.00 0.00 42.92 40.17 1udm s ASP 26 CO 0.80 -1.74 1.49 -0.62 -0.17 0.00 0.00 175.17 174.93 1udm s ASP 27 N -2.60 5.84 -0.67 -0.34 -1.08 -1.26 -3.72 116.67 112.84 1udm s ASP 27 Ca 0.67 -0.16 -0.01 0.00 -0.52 0.00 0.00 52.55 52.53 1udm s ASP 27 Cb -0.21 -2.55 -0.02 0.00 -1.46 0.00 0.00 42.92 38.68 1udm s ASP 27 CO 0.43 -2.03 0.57 0.61 0.52 0.00 0.00 175.17 175.27 1udm n GLY 28 N 5.49 -0.14 1.03 2.66 0.00 -1.26 -4.91 105.19 108.06 1udm n GLY 28 Ca 0.09 0.01 0.03 0.00 0.00 0.00 0.00 46.02 46.15 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 -2.36 2.81 -0.52 1.61 7.64 -1.24 -4.82 113.62 116.73 1udm n SER 29 Ca -0.12 -2.36 -0.07 0.00 1.01 0.00 0.00 58.87 57.34 1udm n SER 29 Cb 0.59 -0.57 -0.03 0.00 -1.01 0.00 0.00 64.21 63.19 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 0.24 -0.10 -3.41 -0.43 0.00 -1.26 -4.90 120.51 110.64 1udm n ALA 30 Ca 0.11 0.11 -0.13 0.00 0.00 0.00 0.00 53.44 53.53 1udm n ALA 30 Cb 0.61 -1.10 -0.09 0.00 0.00 0.00 0.00 19.45 18.87 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 -2.07 -0.00 -0.00 0.00 1.01 -1.24 -4.11 120.40 113.99 1udm s VAL 31 Ca 0.00 0.01 0.01 0.00 0.00 0.00 0.00 61.98 61.99 1udm s VAL 31 Cb 0.00 -0.69 -0.01 0.00 0.00 0.00 0.00 36.38 35.68 1udm s VAL 31 CO 0.00 0.00 0.02 2.30 0.00 0.00 0.00 175.10 177.42 1udm n ILE 32 N 2.94 0.00 -4.07 2.22 -5.35 -1.09 -4.09 119.36 109.91 1udm n ILE 32 Ca -0.14 -0.06 -0.10 0.00 -0.27 0.00 0.00 62.75 62.17 1udm n ILE 32 Cb 0.57 0.53 -0.11 0.00 -1.74 0.00 0.00 39.64 38.89 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 -1.97 0.57 -0.17 4.28 1.48 -0.97 0.10 118.94 122.26 1udm s TRP 33 Ca -0.00 -0.72 -0.14 0.00 -1.06 0.00 0.00 56.10 54.18 1udm s TRP 33 Cb 0.01 -0.37 0.05 0.00 -1.16 0.00 0.00 33.47 32.00 1udm s TRP 33 CO 0.04 -0.19 0.45 0.54 -4.06 0.00 0.00 176.95 173.73 1udm s VAL 34 N -2.42 -0.01 0.06 -0.66 0.11 0.11 -2.79 120.40 114.80 1udm s VAL 34 Ca -0.03 0.02 0.03 0.00 -2.93 0.00 0.00 61.98 59.08 1udm s VAL 34 Cb -0.03 -0.64 -0.04 0.00 -1.53 0.00 0.00 36.38 34.14 1udm s VAL 34 CO -0.03 0.01 0.02 0.42 -3.33 0.00 0.00 175.10 172.19 1udm s THR 35 N 0.60 4.18 -0.36 5.04 -4.23 -0.74 0.46 115.64 120.58 1udm s THR 35 Ca -0.03 -0.83 0.01 0.00 -1.18 0.00 0.00 61.69 59.67 1udm s THR 35 Cb -0.05 -2.96 0.11 0.00 1.34 0.00 0.00 72.50 70.95 1udm s THR 35 CO -0.04 0.19 0.13 -0.36 -0.54 0.00 0.00 174.62 174.01 1udm s PHE 36 N -1.26 2.33 0.53 3.99 0.40 0.12 0.16 117.98 124.25 1udm s PHE 36 Ca 0.25 -2.28 0.07 0.00 -0.60 0.00 0.00 56.93 54.37 1udm s PHE 36 Cb -0.12 -2.10 0.06 0.00 0.51 0.00 0.00 43.02 41.37 1udm s PHE 36 CO 0.17 -0.86 0.73 -0.98 0.70 0.00 0.00 175.22 174.97 1udm s ARG 37 N 1.03 2.46 0.10 0.44 1.70 0.03 -2.28 118.95 122.44 1udm s ARG 37 Ca 0.12 -1.36 -0.08 0.00 -0.47 0.00 0.00 55.73 53.95 1udm s ARG 37 Cb -0.20 -2.64 -0.06 0.00 -0.57 0.00 0.00 34.95 31.48 1udm s ARG 37 CO -0.13 -0.69 0.40 0.71 -1.08 0.00 0.00 175.30 174.50 1udm s TYR 38 N -2.61 3.54 -0.10 5.89 2.02 -1.26 0.15 117.35 124.98 1udm s TYR 38 Ca 0.59 0.72 0.13 0.00 -0.37 0.00 0.00 57.07 58.14 1udm s TYR 38 Cb -0.08 -2.11 0.21 0.00 -0.40 0.00 0.00 41.96 39.57 1udm s TYR 38 CO 0.37 0.48 1.11 -3.47 -1.57 0.00 0.00 175.55 172.47 1udm n ASP 39 N 0.60 2.28 0.00 2.29 2.03 -0.52 -4.91 116.55 118.32 1udm n ASP 39 Ca -0.06 -2.75 0.00 0.00 0.52 0.00 0.00 54.79 52.51 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 -1.12 0.66 2.26 0.27 0.00 -1.26 -4.82 105.19 101.17 1udm n GLY 40 Ca 0.11 -0.64 -0.11 0.00 0.00 0.00 0.00 46.02 45.39 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 -0.23 -3.65 4.61 0.00 -1.26 -4.99 120.51 114.99 1udm n ALA 41 Ca 0.00 0.13 -0.05 0.00 0.00 0.00 0.00 53.44 53.52 1udm n ALA 41 Cb 0.00 -1.32 -0.06 0.00 0.00 0.00 0.00 19.45 18.07 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 -2.45 -0.55 0.25 0.00 2.01 -1.26 -3.31 115.64 110.33 1udm s THR 42 Ca 0.00 0.03 -0.30 0.00 0.31 0.00 0.00 61.69 61.74 1udm s THR 42 Cb 0.00 -0.92 -0.09 0.00 0.01 0.00 0.00 72.50 71.50 1udm s THR 42 CO 0.00 0.01 1.20 -0.63 -0.69 0.00 0.00 174.62 174.51 1udm s ILE 43 N 2.33 3.33 -0.11 1.82 1.01 0.34 -1.44 121.20 128.47 1udm s ILE 43 Ca -0.07 1.23 -0.17 0.00 0.00 0.00 0.00 60.65 61.64 1udm s ILE 43 Cb -0.09 -3.78 0.04 0.00 0.01 0.00 0.00 42.46 38.63 1udm s ILE 43 CO -0.18 0.25 0.44 0.68 0.00 0.00 0.00 174.94 176.13 1udm s VAL 44 N -0.64 0.02 -0.34 2.92 -7.23 0.12 -1.03 120.40 114.21 1udm s VAL 44 Ca 0.49 -0.13 -0.34 0.00 -1.81 0.00 0.00 61.98 60.19 1udm s VAL 44 Cb -0.34 -0.67 -0.11 0.00 0.56 0.00 0.00 36.38 35.82 1udm s VAL 44 CO 0.42 -0.07 2.21 -2.65 -0.31 0.00 0.00 175.10 174.69 1udm n PRO 45 N 2.19 1.16 0.00 4.82 -0.02 -1.26 -0.79 135.00 141.10 1udm n PRO 45 Ca -0.16 0.31 0.00 0.00 -2.02 0.00 0.00 63.50 61.63 1udm n PRO 45 Cb 0.57 -2.56 0.00 0.00 -0.02 0.00 0.00 33.50 31.49 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 6.45 0.98 3.98 -1.23 0.00 0.42 -4.79 105.19 111.00 1udm n GLY 46 Ca 0.40 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 46.19 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 -1.24 4.68 -0.28 1.61 1.11 -1.24 -4.90 116.67 116.41 1udm s ASP 47 Ca 0.00 -0.13 -0.22 0.00 0.18 0.00 0.00 52.55 52.38 1udm s ASP 47 Cb 0.00 -0.44 0.13 0.00 1.07 0.00 0.00 42.92 43.68 1udm s ASP 47 CO 0.00 -1.62 1.02 -1.58 1.18 0.00 0.00 175.17 174.18 1udm s GLN 48 N -5.05 0.45 -0.07 8.23 0.74 -1.26 -1.79 119.66 120.92 1udm s GLN 48 Ca 0.63 0.61 -0.32 0.00 0.05 0.00 0.00 55.36 56.33 1udm s GLN 48 Cb -0.08 0.18 0.13 0.00 1.10 0.00 0.00 33.01 34.35 1udm s GLN 48 CO 0.43 -0.07 1.38 0.20 -0.55 0.00 0.00 175.29 176.68 1udm s GLY 49 N 0.60 -0.42 0.02 2.59 0.00 -1.12 -5.02 107.32 103.97 1udm s GLY 49 Ca -0.01 0.72 0.22 0.00 0.00 0.00 0.00 44.72 45.66 1udm s GLY 49 CO -0.10 1.34 0.88 0.00 0.00 0.00 0.00 173.10 175.23 1udm n ALA 50 N -0.58 3.61 -2.58 3.20 0.00 -1.26 -2.29 120.51 120.61 1udm n ALA 50 Ca -0.07 -0.48 -0.43 0.00 0.00 0.00 0.00 53.44 52.47 1udm n ALA 50 Cb 0.63 -0.88 -0.05 0.00 0.00 0.00 0.00 19.45 19.15 1udm n ALA 50 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 1udm s ASP 51 N -3.82 6.41 0.56 0.00 1.11 -1.26 -4.58 116.67 115.08 1udm s ASP 51 Ca 0.02 -0.15 0.25 0.00 0.18 0.00 0.00 52.55 52.86 1udm s ASP 51 Cb 0.15 -2.41 1.49 0.00 1.07 0.00 0.00 42.92 43.22 1udm s ASP 51 CO 0.84 -1.01 2.07 0.22 1.18 0.00 0.00 175.17 178.47 1udm h TYR 52 N 9.07 0.00 0.00 4.23 5.03 -2.00 0.26 116.97 133.56 1udm h TYR 52 Ca -0.25 0.00 -0.02 0.00 2.58 0.00 0.00 58.73 61.04 1udm h TYR 52 Cb 1.08 0.00 -0.00 0.00 1.55 0.00 0.00 36.73 39.36 1udm h TYR 52 CO 0.83 0.00 -0.10 1.96 -1.32 0.00 0.00 178.16 179.54 1udm h GLN 53 N 0.00 0.00 0.00 1.82 1.08 -2.00 -2.80 115.11 113.21 1udm h GLN 53 Ca 0.13 0.00 -0.15 0.00 -1.45 0.00 0.00 58.65 57.18 1udm h GLN 53 Cb 0.60 0.00 -0.02 0.00 -0.05 0.00 0.00 27.48 28.01 1udm h GLN 53 CO -0.00 0.10 -0.70 0.45 -0.95 0.00 0.00 178.83 177.73 1udm h HIS 54 N 0.00 0.00 0.01 2.96 3.86 -0.89 -3.15 115.15 117.94 1udm h HIS 54 Ca -0.00 0.00 -0.13 0.00 -1.16 0.00 0.00 60.37 59.07 1udm h HIS 54 Cb 0.68 0.00 0.01 0.00 1.06 0.00 0.00 27.41 29.16 1udm h HIS 54 CO 0.00 0.70 -0.53 0.35 0.86 0.00 0.00 177.93 179.31 1udm h PHE 55 N 0.00 0.52 0.00 2.45 3.57 -1.40 -3.20 116.94 118.88 1udm h PHE 55 Ca -0.01 -0.29 -0.00 0.00 3.53 0.00 0.00 57.97 61.20 1udm h PHE 55 Cb 1.52 -0.06 -0.00 0.00 2.79 0.00 0.00 35.95 40.20 1udm h PHE 55 CO 0.00 1.11 -0.01 0.82 -2.23 0.00 0.00 178.31 178.00 1udm h ILE 56 N -0.22 0.07 -0.00 1.41 2.04 -1.61 -0.63 117.51 118.56 1udm h ILE 56 Ca -0.07 -0.23 0.00 0.00 1.00 0.00 0.00 64.86 65.56 1udm h ILE 56 Cb 1.26 1.21 0.00 0.00 -0.74 0.00 0.00 36.82 38.56 1udm h ILE 56 CO 0.10 0.01 0.00 0.00 0.00 0.00 0.00 178.15 178.27 1udm n GLN 57 N -3.15 1.07 -0.11 2.37 1.13 -1.19 -3.70 117.38 113.79 1udm n GLN 57 Ca -0.02 -0.10 -0.21 0.00 -1.94 0.00 0.00 57.00 54.73 1udm n GLN 57 Cb 0.17 -1.47 -0.09 0.00 0.11 0.00 0.00 30.24 28.97 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 -0.84 0.49 -1.94 -1.09 1.13 -0.25 -4.92 117.38 109.97 1udm n GLN 58 Ca 0.22 0.18 -0.43 0.00 -1.94 0.00 0.00 57.00 55.03 1udm n GLN 58 Cb 0.13 -1.34 -0.03 0.00 0.11 0.00 0.00 30.24 29.11 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 6.24 1.16 -2.00 0.00 -4.23 -1.26 -4.94 115.64 110.61 1udm s THR 60 Ca 0.81 -2.00 0.24 0.00 -1.18 0.00 0.00 61.69 59.56 1udm s THR 60 Cb -0.27 -2.39 0.67 0.00 1.34 0.00 0.00 72.50 71.84 1udm s THR 60 CO 0.33 0.00 1.89 -0.90 -0.54 0.00 0.00 174.62 175.40 1udm n ASP 61 N -1.18 0.00 -0.06 3.99 5.75 -1.26 -2.89 116.55 120.90 1udm n ASP 61 Ca -0.12 -1.23 0.09 0.00 -0.01 0.00 0.00 54.79 53.52 1udm n ASP 61 Cb 0.66 0.00 0.12 0.00 -1.03 0.00 0.00 41.12 40.87 1udm n ASP 61 CO 0.00 0.00 0.00 0.47 -0.11 0.00 0.00 177.20 177.56 1udm n ASP 62 N -0.87 2.29 -3.62 -1.12 8.00 -1.26 -2.91 116.55 117.05 1udm n ASP 62 Ca 0.18 -2.93 -0.11 0.00 0.71 0.00 0.00 54.79 52.64 1udm n ASP 62 Cb 0.08 -0.37 -0.04 0.00 -0.02 0.00 0.00 41.12 40.77 1udm n ASP 62 CO 0.00 0.00 0.00 0.54 -0.39 0.00 0.00 177.20 177.35 1udm s VAL 63 N -2.59 0.06 -0.16 2.53 0.11 -1.14 -5.01 120.40 114.20 1udm s VAL 63 Ca 0.27 -0.53 -0.09 0.00 -2.93 0.00 0.00 61.98 58.70 1udm s VAL 63 Cb 0.24 -1.14 0.05 0.00 -1.53 0.00 0.00 36.38 34.00 1udm s VAL 63 CO 0.03 -0.29 0.39 0.00 -3.33 0.00 0.00 175.10 171.89 1udm s ARG 64 N -3.72 0.38 0.15 1.54 3.03 -1.26 -0.57 118.95 118.50 1udm s ARG 64 Ca 0.02 0.73 -0.25 0.00 2.03 0.00 0.00 55.73 58.26 1udm s ARG 64 Cb 0.02 -0.01 0.07 0.00 -1.03 0.00 0.00 34.95 33.99 1udm s ARG 64 CO -0.11 -0.15 0.98 -0.48 -1.13 0.00 0.00 175.30 174.41 1udm s LEU 65 N 1.24 -0.17 0.39 -1.89 -0.00 -0.13 -4.70 118.68 113.42 1udm s LEU 65 Ca -0.08 -0.40 -0.16 0.00 -0.00 0.00 0.00 54.13 53.49 1udm s LEU 65 Cb -0.08 2.12 -0.09 0.00 -0.00 0.00 0.00 46.19 48.14 1udm s LEU 65 CO -0.11 -0.88 0.83 -0.36 -0.00 0.00 0.00 176.35 175.83 1udm s PHE 66 N -3.24 3.39 -0.28 3.48 0.40 -0.96 0.26 117.98 121.03 1udm s PHE 66 Ca 0.12 1.31 -0.04 0.00 -0.60 0.00 0.00 56.93 57.72 1udm s PHE 66 Cb -0.01 -2.62 0.10 0.00 0.51 0.00 0.00 43.02 40.99 1udm s PHE 66 CO 0.02 -0.06 0.13 0.00 0.70 0.00 0.00 175.22 176.01 1udm s ALA 67 N -2.20 0.60 -0.28 5.36 0.00 0.21 0.16 121.76 125.61 1udm s ALA 67 Ca 0.56 -1.00 -0.18 0.00 0.00 0.00 0.00 51.96 51.34 1udm s ALA 67 Cb -0.10 -1.35 -0.02 0.00 0.00 0.00 0.00 23.12 21.65 1udm s ALA 67 CO 0.21 -1.59 0.54 0.12 0.00 0.00 0.00 175.76 175.04 1udm s PHE 68 N 2.10 3.25 0.09 0.00 2.19 0.17 0.99 117.98 126.76 1udm s PHE 68 Ca 0.08 0.58 0.08 0.00 0.33 0.00 0.00 56.93 58.00 1udm s PHE 68 Cb -0.16 -2.80 -0.03 0.00 -1.31 0.00 0.00 43.02 38.71 1udm s PHE 68 CO -0.34 -0.35 -0.21 0.08 1.83 0.00 0.00 175.22 176.23 1udm s VAL 69 N 2.39 1.69 -0.23 3.12 1.01 -1.16 0.04 120.40 127.25 1udm s VAL 69 Ca 0.22 -1.45 -0.08 0.00 0.00 0.00 0.00 61.98 60.67 1udm s VAL 69 Cb -0.15 -1.52 -0.04 0.00 0.00 0.00 0.00 36.38 34.67 1udm s VAL 69 CO 0.10 0.01 0.08 -0.60 0.00 0.00 0.00 175.10 174.69 1udm s ARG 70 N -1.71 3.80 0.11 2.72 3.52 0.11 -2.73 118.95 124.76 1udm s ARG 70 Ca 0.07 -0.41 0.07 0.00 -0.13 0.00 0.00 55.73 55.32 1udm s ARG 70 Cb -0.10 -3.34 -0.04 0.00 -1.56 0.00 0.00 34.95 29.92 1udm s ARG 70 CO 0.04 -0.04 -0.11 -0.06 -0.81 0.00 0.00 175.30 174.31 1udm s PHE 71 N 1.24 2.71 -0.32 5.12 0.40 0.12 -4.93 117.98 122.32 1udm s PHE 71 Ca 0.05 -0.17 -0.02 0.00 -0.60 0.00 0.00 56.93 56.19 1udm s PHE 71 Cb -0.14 -1.42 0.07 0.00 0.51 0.00 0.00 43.02 42.03 1udm s PHE 71 CO 0.04 0.42 0.04 0.95 0.70 0.00 0.00 175.22 177.37 1udm s THR 72 N -1.20 2.99 -0.26 0.64 -4.23 -1.26 0.42 115.64 112.74 1udm s THR 72 Ca 0.21 -1.58 -0.14 0.00 -1.18 0.00 0.00 61.69 58.99 1udm s THR 72 Cb -0.11 -2.82 0.08 0.00 1.34 0.00 0.00 72.50 70.99 1udm s THR 72 CO 0.13 -0.25 0.63 0.28 -0.54 0.00 0.00 174.62 174.87 1udm s THR 73 N 1.21 -0.04 0.00 3.99 -1.32 -1.26 -5.02 115.64 113.20 1udm s THR 73 Ca -0.02 0.02 0.00 0.00 -1.21 0.00 0.00 61.69 60.49 1udm s THR 73 Cb -0.20 -0.92 0.00 0.00 -1.51 0.00 0.00 72.50 69.87 1udm s THR 73 CO -0.02 0.01 0.00 0.61 -2.21 0.00 0.00 174.62 173.01 1udm n GLY 74 N 4.35 4.03 0.24 6.08 0.00 -1.26 -4.60 105.19 114.03 1udm n GLY 74 Ca -0.20 -1.39 0.00 0.00 0.00 0.00 0.00 46.02 44.42 1udm n GLY 74 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1udm n ASP 75 N 0.00 0.00 -4.22 1.61 8.00 -1.26 -3.73 116.55 116.95 1udm n ASP 75 Ca 0.00 0.00 -0.37 0.00 0.71 0.00 0.00 54.79 55.13 1udm n ASP 75 Cb 0.00 -0.24 -0.06 0.00 -0.02 0.00 0.00 41.12 40.81 1udm n ASP 75 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1udm n ALA 76 N -2.17 -1.19 0.00 2.24 0.00 -1.26 0.22 120.51 118.35 1udm n ALA 76 Ca 0.00 -0.13 0.00 0.00 0.00 0.00 0.00 53.44 53.31 1udm n ALA 76 Cb 0.00 -2.56 0.00 0.00 0.00 0.00 0.00 19.45 16.89 1udm n ALA 76 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 177.50 177.38 1udm n MET 77 N -3.96 0.00 -3.22 0.00 0.00 -1.26 -4.77 117.12 103.91 1udm n MET 77 Ca 0.09 0.00 -0.02 0.00 -0.00 0.00 0.00 57.70 57.78 1udm n MET 77 Cb 0.47 -2.48 -0.03 0.00 0.00 0.00 0.00 33.22 31.18 1udm n MET 77 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 175.97 176.42 1udm s SER 78 N -1.88 -0.77 0.05 6.12 0.15 0.59 -5.13 113.70 112.84 1udm s SER 78 Ca 0.00 -0.07 -0.36 0.00 0.70 0.00 0.00 55.95 56.22 1udm s SER 78 Cb 0.00 1.64 -0.15 0.00 -1.71 0.00 0.00 66.02 65.80 1udm s SER 78 CO 0.00 -0.32 1.52 0.29 1.20 0.00 0.00 173.24 175.93 1udm n LYS 79 N 5.38 1.59 -4.14 5.44 5.02 -0.75 -4.76 118.16 125.94 1udm n LYS 79 Ca 0.03 0.58 -0.31 0.00 -2.02 0.00 0.00 58.31 56.59 1udm n LYS 79 Cb 0.52 -2.29 -0.08 0.00 -0.02 0.00 0.00 35.03 33.17 1udm n LYS 79 CO 0.00 0.00 0.00 0.50 -0.52 0.00 0.00 177.40 177.38 1udm s ARG 80 N 1.31 2.74 -0.22 1.97 6.06 -1.26 -5.02 118.95 124.53 1udm s ARG 80 Ca 0.85 -0.72 -0.27 0.00 -2.50 0.00 0.00 55.73 53.09 1udm s ARG 80 Cb -0.85 -2.65 0.00 0.00 0.06 0.00 0.00 34.95 31.52 1udm s ARG 80 CO 0.46 0.57 0.96 -1.54 -2.50 0.00 0.00 175.30 173.25 1udm s SER 81 N -2.12 7.01 0.36 -2.12 1.04 -1.26 -4.04 113.70 112.58 1udm s SER 81 Ca 0.25 1.27 0.04 0.00 0.48 0.00 0.00 55.95 57.98 1udm s SER 81 Cb -0.12 -2.50 -0.01 0.00 0.10 0.00 0.00 66.02 63.49 1udm s SER 81 CO 0.17 -0.59 0.53 -0.54 0.98 0.00 0.00 173.24 173.79 1udm s LYS 82 N 2.94 3.20 0.26 4.02 -0.14 0.17 -4.93 119.74 125.25 1udm s LYS 82 Ca 0.41 -0.72 -0.12 0.00 -1.36 0.00 0.00 55.97 54.18 1udm s LYS 82 Cb -0.15 -2.73 -0.00 0.00 -1.68 0.00 0.00 37.83 33.27 1udm s LYS 82 CO 0.08 0.03 0.50 -0.06 -0.76 0.00 0.00 175.35 175.13 1udm s PHE 83 N -2.28 0.39 -0.29 3.18 0.40 -1.26 0.14 117.98 118.26 1udm s PHE 83 Ca 0.44 -0.76 -0.16 0.00 -0.60 0.00 0.00 56.93 55.85 1udm s PHE 83 Cb -0.10 0.21 0.17 0.00 0.51 0.00 0.00 43.02 43.81 1udm s PHE 83 CO 0.34 -1.04 1.06 0.00 0.70 0.00 0.00 175.22 176.28 1udm s ALA 84 N -3.87 -2.50 -0.98 5.36 0.00 -1.11 -2.66 121.76 116.00 1udm s ALA 84 Ca 0.22 2.10 -0.23 0.00 0.00 0.00 0.00 51.96 54.06 1udm s ALA 84 Cb -0.01 -1.87 0.06 0.00 0.00 0.00 0.00 23.12 21.30 1udm s ALA 84 CO 0.10 -0.50 1.38 -1.17 0.00 0.00 0.00 175.76 175.57 1udm s LEU 85 N 1.54 3.73 -0.64 0.00 2.96 -0.80 -3.00 118.68 122.47 1udm s LEU 85 Ca -0.07 -1.45 -0.27 0.00 -0.22 0.00 0.00 54.13 52.12 1udm s LEU 85 Cb -0.04 -2.54 -0.00 0.00 0.50 0.00 0.00 46.19 44.11 1udm s LEU 85 CO -0.14 -1.47 1.66 -0.63 -1.32 0.00 0.00 176.35 174.45 1udm s ILE 86 N 4.67 3.50 -0.68 6.68 1.01 0.28 0.79 121.20 137.44 1udm s ILE 86 Ca 0.43 0.30 -0.26 0.00 0.00 0.00 0.00 60.65 61.12 1udm s ILE 86 Cb -0.02 -4.26 0.04 0.00 0.01 0.00 0.00 42.46 38.23 1udm s ILE 86 CO -0.08 -1.20 1.17 -0.89 0.00 0.00 0.00 174.94 173.95 1udm s THR 87 N 7.82 3.96 0.21 2.92 2.01 0.43 0.64 115.64 133.62 1udm s THR 87 Ca 0.57 0.32 -0.27 0.00 0.31 0.00 0.00 61.69 62.63 1udm s THR 87 Cb -0.11 -4.80 -0.09 0.00 0.01 0.00 0.00 72.50 67.51 1udm s THR 87 CO 0.20 -1.62 0.84 0.86 -0.69 0.00 0.00 174.62 174.21 1udm s TRP 88 N 5.10 3.89 -0.29 4.92 -0.11 0.14 -0.67 118.94 131.92 1udm s TRP 88 Ca 0.33 1.73 -0.01 0.00 1.22 0.00 0.00 56.10 59.37 1udm s TRP 88 Cb -0.10 -2.84 0.13 0.00 -1.50 0.00 0.00 33.47 29.16 1udm s TRP 88 CO 0.16 0.45 0.28 0.42 -4.62 0.00 0.00 176.95 173.65 1udm s ILE 89 N -1.24 -0.38 0.06 5.86 1.01 -0.30 -0.96 121.20 125.25 1udm s ILE 89 Ca 0.40 -0.51 -0.25 0.00 0.00 0.00 0.00 60.65 60.28 1udm s ILE 89 Cb -0.23 -0.99 -0.14 0.00 0.01 0.00 0.00 42.46 41.12 1udm s ILE 89 CO 0.28 -0.49 0.61 0.61 0.00 0.00 0.00 174.94 175.95 1udm n GLY 90 N 5.30 -0.63 0.00 6.18 0.00 0.27 -4.35 105.19 111.96 1udm n GLY 90 Ca -0.02 0.43 0.08 0.00 0.00 0.00 0.00 46.02 46.50 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 0.94 0.74 -0.00 1.61 0.00 -1.21 -2.34 120.64 120.38 1udm n GLU 91 Ca 0.14 0.00 0.01 0.00 0.00 0.00 0.00 57.16 57.30 1udm n GLU 91 Cb 0.11 -1.32 -0.01 0.00 0.00 0.00 0.00 31.44 30.22 1udm n GLU 91 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.13 173.66 1udm n ASP 92 N -0.82 0.67 -4.73 4.31 2.03 -1.15 -5.05 116.55 111.81 1udm n ASP 92 Ca 0.11 -0.46 -0.39 0.00 0.52 0.00 0.00 54.79 54.57 1udm n ASP 92 Cb 0.05 1.01 0.03 0.00 -0.72 0.00 0.00 41.12 41.49 1udm n ASP 92 CO 0.00 0.00 0.00 0.52 -1.92 0.00 0.00 177.20 175.80 1udm n VAL 93 N -1.09 3.33 -2.03 5.18 0.31 -0.99 -4.92 118.33 118.12 1udm n VAL 93 Ca 0.00 -0.50 -0.42 0.00 -0.01 0.00 0.00 64.34 63.42 1udm n VAL 93 Cb 0.02 -1.66 -0.03 0.00 -0.91 0.00 0.00 33.84 31.26 1udm n VAL 93 CO 0.00 0.00 0.00 -0.44 -1.32 0.00 0.00 176.83 175.07 1udm s SER 94 N -0.75 6.68 0.30 4.52 0.01 -1.26 -4.77 113.70 118.43 1udm s SER 94 Ca 0.67 2.57 0.21 0.00 1.31 0.00 0.00 55.95 60.72 1udm s SER 94 Cb -0.44 -2.61 1.01 0.00 0.21 0.00 0.00 66.02 64.19 1udm s SER 94 CO 0.53 -0.71 1.07 0.61 0.41 0.00 0.00 173.24 175.15 1udm n GLY 95 N 2.87 -0.57 0.32 3.44 0.00 -1.26 -0.08 105.19 109.91 1udm n GLY 95 Ca 0.09 0.53 -0.11 0.00 0.00 0.00 0.00 46.02 46.53 1udm n GLY 95 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 1udm h LEU 96 N 0.00 -1.02 -1.57 0.99 7.12 -1.97 1.30 115.31 120.16 1udm h LEU 96 Ca 0.60 0.10 0.02 0.00 0.13 0.00 0.00 57.88 58.73 1udm h LEU 96 Cb 1.89 0.37 -0.02 0.00 -0.53 0.00 0.00 40.66 42.36 1udm h LEU 96 CO -0.35 -0.39 0.31 1.56 -0.13 0.00 0.00 178.44 179.44 1udm h GLN 97 N -0.54 0.56 0.00 1.25 1.08 -0.84 -0.09 115.11 116.52 1udm h GLN 97 Ca -0.01 -0.03 -0.09 0.00 -1.45 0.00 0.00 58.65 57.07 1udm h GLN 97 Cb 0.52 -0.13 -0.01 0.00 -0.05 0.00 0.00 27.48 27.81 1udm h GLN 97 CO -0.15 0.37 -0.41 -0.09 -0.95 0.00 0.00 178.83 177.60 1udm h ARG 98 N 0.58 0.00 0.00 1.46 1.12 -0.85 -0.89 114.38 115.80 1udm h ARG 98 Ca 0.18 0.00 0.00 0.00 -1.11 0.00 0.00 59.98 59.05 1udm h ARG 98 Cb 0.01 0.00 0.00 0.00 -0.01 0.00 0.00 29.97 29.97 1udm h ARG 98 CO -0.04 0.41 -0.58 0.00 -3.11 0.00 0.00 179.97 176.65 1udm n ALA 99 N -2.29 3.07 -0.08 2.80 0.00 0.44 -4.09 120.51 120.37 1udm n ALA 99 Ca 0.00 -0.27 -0.19 0.00 0.00 0.00 0.00 53.44 52.98 1udm n ALA 99 Cb 0.55 -1.17 -0.13 0.00 0.00 0.00 0.00 19.45 18.71 1udm n ALA 99 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 1udm n LYS 100 N -1.93 0.69 -0.35 0.00 4.76 -0.20 -4.11 118.16 117.03 1udm n LYS 100 Ca 0.04 0.19 0.25 0.00 -2.87 0.00 0.00 58.31 55.92 1udm n LYS 100 Cb 0.41 -1.60 0.52 0.00 -1.84 0.00 0.00 35.03 32.52 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 0.44 -0.00 -0.18 2.02 -1.31 0.48 112.91 114.38 1udm h THR 101 Ca -0.52 -0.12 -0.18 0.00 0.77 0.00 0.00 66.41 66.36 1udm h THR 101 Cb 1.96 0.05 -0.02 0.00 -1.74 0.00 0.00 68.15 68.41 1udm h THR 101 CO -0.02 0.06 -0.83 1.23 0.37 0.00 0.00 175.52 176.34 1udm h GLY 102 N 0.35 0.15 2.00 2.16 0.00 -1.75 -3.13 103.07 102.85 1udm h GLY 102 Ca 0.65 -0.26 -0.14 0.00 0.00 0.00 0.00 47.33 47.58 1udm h GLY 102 CO -0.36 0.23 -0.66 -0.84 0.00 0.00 0.00 176.54 174.91 1udm h THR 103 N 0.08 1.46 -0.08 4.70 2.02 -0.29 -2.80 112.91 118.00 1udm h THR 103 Ca -0.03 -2.27 0.00 0.00 0.77 0.00 0.00 66.41 64.88 1udm h THR 103 Cb 1.44 2.23 0.00 0.00 -1.74 0.00 0.00 68.15 70.08 1udm h THR 103 CO 0.12 0.65 0.00 0.47 0.37 0.00 0.00 175.52 177.13 1udm n ASP 104 N -3.73 0.93 0.09 4.18 8.00 -0.10 -3.75 116.55 122.16 1udm n ASP 104 Ca -0.01 -1.55 -0.04 0.00 0.71 0.00 0.00 54.79 53.90 1udm n ASP 104 Cb 0.66 -0.05 0.14 0.00 -0.02 0.00 0.00 41.12 41.85 1udm n ASP 104 CO 0.00 0.00 0.00 0.50 -0.39 0.00 0.00 177.20 177.31 1udm h LYS 105 N 1.27 0.22 0.00 -1.24 3.64 -1.44 -2.85 116.57 116.17 1udm h LYS 105 Ca 0.00 -0.15 -0.00 0.00 -1.27 0.00 0.00 60.65 59.23 1udm h LYS 105 Cb 0.28 0.02 -0.00 0.00 -0.41 0.00 0.00 32.23 32.11 1udm h LYS 105 CO 0.00 0.73 -0.00 1.15 -2.27 0.00 0.00 179.45 179.06 1udm h THR 106 N 0.17 0.10 0.01 1.00 2.02 -1.76 -0.84 112.91 113.61 1udm h THR 106 Ca -0.00 -0.02 -0.09 0.00 0.77 0.00 0.00 66.41 67.07 1udm h THR 106 Cb 1.06 1.02 -0.01 0.00 -1.74 0.00 0.00 68.15 68.47 1udm h THR 106 CO 0.09 0.00 -0.45 -0.07 0.37 0.00 0.00 175.52 175.46 1udm h LEU 107 N 0.00 0.04 -1.43 2.58 4.07 -1.77 -3.23 115.31 115.57 1udm h LEU 107 Ca -0.00 -0.86 -0.04 0.00 0.08 0.00 0.00 57.88 57.07 1udm h LEU 107 Cb 0.02 -0.01 -0.01 0.00 1.08 0.00 0.00 40.66 41.73 1udm h LEU 107 CO 0.00 1.18 -0.01 0.58 -1.08 0.00 0.00 178.44 179.12 1udm h VAL 108 N -0.93 1.16 -0.44 1.22 2.07 -1.46 -2.35 116.25 115.51 1udm h VAL 108 Ca -0.12 -0.61 -0.08 0.00 0.82 0.00 0.00 66.70 66.72 1udm h VAL 108 Cb 1.15 0.98 -0.02 0.00 -1.52 0.00 0.00 31.29 31.89 1udm h VAL 108 CO -0.05 0.20 -0.03 0.50 0.02 0.00 0.00 177.57 178.22 1udm h LYS 109 N 0.35 0.75 -1.15 1.57 3.11 -1.30 -2.49 116.57 117.42 1udm h LYS 109 Ca 0.08 -0.21 0.34 0.00 -2.81 0.00 0.00 60.65 58.05 1udm h LYS 109 Cb 0.25 -0.08 -0.11 0.00 -1.00 0.00 0.00 32.23 31.28 1udm h LYS 109 CO 0.01 0.78 0.73 0.93 -2.81 0.00 0.00 179.45 179.08 1udm h GLU 110 N 0.69 0.25 0.12 1.90 4.39 -1.43 -0.19 114.58 120.32 1udm h GLU 110 Ca 0.13 -0.02 -0.34 0.00 0.34 0.00 0.00 59.36 59.48 1udm h GLU 110 Cb 0.47 -0.06 -0.01 0.00 -0.10 0.00 0.00 28.75 29.06 1udm h GLU 110 CO 0.02 0.17 -1.80 0.28 -1.16 0.00 0.00 179.01 176.52 1udm h VAL 111 N 0.26 0.77 -2.97 3.13 2.07 -1.62 -3.43 116.25 114.45 1udm h VAL 111 Ca 0.70 -2.36 -0.72 0.00 0.82 0.00 0.00 66.70 65.14 1udm h VAL 111 Cb 1.96 2.55 -0.21 0.00 -1.52 0.00 0.00 31.29 34.07 1udm h VAL 111 CO -0.39 0.81 -0.01 -0.69 0.02 0.00 0.00 177.57 177.31 1udm s VAL 112 N -2.53 4.96 0.00 2.57 1.01 -0.08 -4.76 120.40 121.57 1udm s VAL 112 Ca -0.22 -1.19 0.00 0.00 0.00 0.00 0.00 61.98 60.58 1udm s VAL 112 Cb 0.06 -4.44 0.00 0.00 0.00 0.00 0.00 36.38 32.00 1udm s VAL 112 CO 0.77 -1.03 0.00 0.00 0.00 0.00 0.00 175.10 174.83 1udm n GLN 113 N 5.93 3.26 0.20 2.72 10.64 -1.24 -4.56 117.38 134.34 1udm n GLN 113 Ca -0.11 0.00 0.05 0.00 -1.83 0.00 0.00 57.00 55.11 1udm n GLN 113 Cb 0.42 -0.95 0.44 0.00 -0.86 0.00 0.00 30.24 29.29 1udm n GLN 113 CO 0.00 0.00 0.00 -0.97 -1.83 0.00 0.00 177.06 174.26 1udm h ASN 114 N 0.00 0.00 -0.88 2.61 -1.24 -1.93 -3.44 115.58 110.70 1udm h ASN 114 Ca 0.00 0.00 -0.04 0.00 0.71 0.00 0.00 56.30 56.97 1udm h ASN 114 Cb 0.89 0.00 0.02 0.00 0.73 0.00 0.00 38.32 39.97 1udm h ASN 114 CO 0.00 0.31 -0.02 2.22 -1.29 0.00 0.00 177.43 178.65 1udm n PHE 115 N -3.89 -1.50 -0.03 0.67 -1.74 -1.26 -4.92 117.46 104.78 1udm n PHE 115 Ca -0.02 -0.04 -0.03 0.00 -0.56 0.00 0.00 57.45 56.80 1udm n PHE 115 Cb 0.39 -0.22 -0.01 0.00 1.52 0.00 0.00 39.48 41.15 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 -2.33 0.32 -3.54 1.98 0.00 -1.09 -4.93 120.51 110.92 1udm n ALA 116 Ca -0.02 -0.43 -0.10 0.00 0.00 0.00 0.00 53.44 52.89 1udm n ALA 116 Cb 0.06 0.01 -0.02 0.00 0.00 0.00 0.00 19.45 19.51 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 -1.71 1.29 0.01 0.00 2.20 -1.26 -5.05 119.74 115.21 1udm s LYS 117 Ca -0.10 -0.55 -0.23 0.00 -0.36 0.00 0.00 55.97 54.73 1udm s LYS 117 Cb 0.01 0.54 -0.05 0.00 -1.51 0.00 0.00 37.83 36.82 1udm s LYS 117 CO 0.16 -0.57 0.68 -1.83 -0.36 0.00 0.00 175.35 173.43 1udm s GLU 118 N -3.63 4.41 -0.47 4.03 -1.05 -1.26 -1.91 118.70 118.81 1udm s GLU 118 Ca 0.04 0.89 -0.10 0.00 -0.15 0.00 0.00 54.97 55.66 1udm s GLU 118 Cb -0.02 -3.37 0.12 0.00 -0.44 0.00 0.00 34.13 30.42 1udm s GLU 118 CO -0.07 0.29 0.35 -0.06 0.95 0.00 0.00 175.26 176.71 1udm s PHE 119 N 0.01 3.41 -0.72 4.83 0.40 0.24 -4.88 117.98 121.27 1udm s PHE 119 Ca 0.35 -1.82 -0.26 0.00 -0.60 0.00 0.00 56.93 54.60 1udm s PHE 119 Cb -0.19 -3.49 0.04 0.00 0.51 0.00 0.00 43.02 39.89 1udm s PHE 119 CO 0.20 -0.99 1.21 0.08 0.70 0.00 0.00 175.22 176.42 1udm s VAL 120 N 1.38 3.86 -0.01 -0.44 1.01 -1.26 0.16 120.40 125.11 1udm s VAL 120 Ca 0.05 0.24 0.03 0.00 0.00 0.00 0.00 61.98 62.31 1udm s VAL 120 Cb -0.26 -4.86 -0.03 0.00 0.00 0.00 0.00 36.38 31.22 1udm s VAL 120 CO -0.00 -1.76 -0.08 -0.63 0.00 0.00 0.00 175.10 172.62 1udm s ILE 121 N 5.35 3.53 -0.04 2.22 1.01 0.15 -4.94 121.20 128.48 1udm s ILE 121 Ca 0.32 -0.77 0.03 0.00 0.00 0.00 0.00 60.65 60.23 1udm s ILE 121 Cb -0.10 -2.51 -0.04 0.00 0.01 0.00 0.00 42.46 39.82 1udm s ILE 121 CO 0.14 0.43 0.09 -1.20 0.00 0.00 0.00 174.94 174.39 1udm n SER 122 N 1.70 3.15 -4.24 3.58 7.64 -1.26 -1.16 113.62 123.02 1udm n SER 122 Ca -0.16 -0.16 -0.33 0.00 1.01 0.00 0.00 58.87 59.24 1udm n SER 122 Cb 0.53 1.10 -0.16 0.00 -1.01 0.00 0.00 64.21 64.67 1udm n SER 122 CO 0.00 0.00 0.00 -0.62 -3.01 0.00 0.00 175.04 171.41 1udm s ASP 123 N -2.07 3.45 0.36 6.43 2.15 -1.26 -3.30 116.67 122.43 1udm s ASP 123 Ca -0.01 -0.50 0.12 0.00 0.43 0.00 0.00 52.55 52.59 1udm s ASP 123 Cb 0.02 -1.51 0.92 0.00 -0.30 0.00 0.00 42.92 42.05 1udm s ASP 123 CO 0.13 0.11 1.82 0.03 -0.17 0.00 0.00 175.17 177.09 1udm h ARG 124 N 7.12 0.57 0.00 4.34 3.08 -1.94 0.33 114.38 127.88 1udm h ARG 124 Ca -0.29 -0.03 0.00 0.00 0.07 0.00 0.00 59.98 59.73 1udm h ARG 124 Cb 1.20 -0.13 0.00 0.00 0.08 0.00 0.00 29.97 31.12 1udm h ARG 124 CO 0.54 0.37 0.25 0.87 -1.07 0.00 0.00 179.97 180.94 1udm h LYS 125 N 0.58 0.00 0.00 0.04 6.56 -2.01 0.74 116.57 122.49 1udm h LYS 125 Ca 0.52 0.00 0.00 0.00 -1.06 0.00 0.00 60.65 60.11 1udm h LYS 125 Cb 1.04 0.00 0.00 0.00 -0.57 0.00 0.00 32.23 32.70 1udm h LYS 125 CO -0.27 0.00 -1.77 0.39 -2.06 0.00 0.00 179.45 175.74 1udm n GLU 126 N -2.17 0.60 0.07 3.15 -0.58 0.12 -4.24 120.64 117.59 1udm n GLU 126 Ca -0.01 -0.16 0.09 0.00 -0.42 0.00 0.00 57.16 56.66 1udm n GLU 126 Cb 0.28 -1.46 0.38 0.00 -0.57 0.00 0.00 31.44 30.06 1udm n GLU 126 CO 0.00 0.00 0.00 1.28 -0.48 0.00 0.00 177.13 177.93 1udm n LEU 127 N -2.09 0.32 -4.50 -4.62 7.99 0.26 -4.60 117.00 109.77 1udm n LEU 127 Ca -0.03 0.59 -0.44 0.00 -0.01 0.00 0.00 56.01 56.12 1udm n LEU 127 Cb 0.49 -0.56 -0.07 0.00 -0.11 0.00 0.00 43.42 43.17 1udm n LEU 127 CO 0.41 -0.47 1.95 -0.62 -1.51 0.00 0.00 177.39 177.15 1udm n GLU 128 N -1.87 0.95 -0.36 3.23 1.02 -1.21 -4.76 120.64 117.65 1udm n GLU 128 Ca 0.02 0.17 0.32 0.00 -0.02 0.00 0.00 57.16 57.66 1udm n GLU 128 Cb 0.16 -2.65 0.56 0.00 -0.02 0.00 0.00 31.44 29.50 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 8.54 -0.04 -0.18 3.49 0.28 -1.26 0.15 120.64 131.62 1udm n GLU 129 Ca 0.43 1.13 -0.01 0.00 -0.16 0.00 0.00 57.16 58.55 1udm n GLU 129 Cb 0.31 -2.15 0.09 0.00 1.43 0.00 0.00 31.44 31.11 1udm n GLU 129 CO 0.00 0.00 0.00 0.22 -0.16 0.00 0.00 177.13 177.19 1udm h ASP 130 N 0.00 0.03 -0.15 -1.84 1.82 -1.94 -0.43 116.42 113.91 1udm h ASP 130 Ca 0.76 0.09 -0.08 0.00 -0.39 0.00 0.00 57.03 57.42 1udm h ASP 130 Cb 2.28 0.12 -0.02 0.00 0.68 0.00 0.00 39.33 42.40 1udm h ASP 130 CO -0.50 0.04 -0.13 0.15 -1.61 0.00 0.00 179.24 177.18 1udm h PHE 131 N 0.27 0.56 -0.03 0.28 3.57 0.11 -3.04 116.94 118.66 1udm h PHE 131 Ca 0.28 -0.09 -0.00 0.00 3.53 0.00 0.00 57.97 61.69 1udm h PHE 131 Cb 0.38 -0.15 -0.00 0.00 2.79 0.00 0.00 35.95 38.97 1udm h PHE 131 CO -0.23 0.64 0.02 0.82 -2.23 0.00 0.00 178.31 177.33 1udm h ILE 132 N 0.48 1.06 0.07 1.41 1.08 -0.89 -3.13 117.51 117.58 1udm h ILE 132 Ca 0.09 -0.16 0.02 0.00 -0.39 0.00 0.00 64.86 64.42 1udm h ILE 132 Cb 0.52 1.10 -0.05 0.00 -3.07 0.00 0.00 36.82 35.32 1udm h ILE 132 CO 0.03 0.05 -0.46 0.03 -0.69 0.00 0.00 178.15 177.11 1udm h ARG 133 N -0.01 -0.63 -1.05 2.37 -0.00 -1.17 -0.97 114.38 112.92 1udm h ARG 133 Ca 0.01 0.04 0.42 0.00 -0.50 0.00 0.00 59.98 59.96 1udm h ARG 133 Cb 0.06 0.14 -0.17 0.00 0.00 0.00 0.00 29.97 30.00 1udm h ARG 133 CO -0.00 -0.42 0.58 0.77 0.00 0.00 0.00 179.97 180.90 1udm h SER 134 N -0.66 0.31 0.47 7.04 0.02 -1.50 0.30 113.55 119.53 1udm h SER 134 Ca 0.02 0.25 -0.02 0.00 -0.84 0.00 0.00 61.79 61.20 1udm h SER 134 Cb 0.70 0.25 0.00 0.00 0.14 0.00 0.00 62.40 63.50 1udm h SER 134 CO -0.29 -0.41 -0.22 -0.33 -1.14 0.00 0.00 176.83 174.44 1udm h GLU 135 N 0.01 -0.61 -0.88 3.45 4.39 -1.14 -2.95 114.58 116.85 1udm h GLU 135 Ca 0.85 0.04 0.12 0.00 0.34 0.00 0.00 59.36 60.71 1udm h GLU 135 Cb 2.31 0.14 -0.08 0.00 -0.10 0.00 0.00 28.75 31.01 1udm h GLU 135 CO -0.73 -0.30 0.50 -0.07 -1.16 0.00 0.00 179.01 177.26 1udm h LEU 136 N -0.96 0.69 -1.09 1.33 3.38 -0.08 1.58 115.31 120.16 1udm h LEU 136 Ca -0.06 0.06 0.13 0.00 0.09 0.00 0.00 57.88 58.10 1udm h LEU 136 Cb 0.59 -0.07 -0.08 0.00 0.09 0.00 0.00 40.66 41.19 1udm h LEU 136 CO 0.11 0.35 0.61 0.50 0.09 0.00 0.00 178.44 180.10 1udm h LYS 137 N 0.78 0.86 -0.14 1.13 3.64 -0.76 -1.60 116.57 120.50 1udm h LYS 137 Ca 0.45 -0.05 0.00 0.00 -1.27 0.00 0.00 60.65 59.78 1udm h LYS 137 Cb 0.51 -0.20 0.00 0.00 -0.41 0.00 0.00 32.23 32.13 1udm h LYS 137 CO -0.29 0.57 0.00 0.36 -2.27 0.00 0.00 179.45 177.82 1udm n LYS 138 N -4.61 2.17 -0.56 1.90 2.85 -0.22 -5.05 118.16 114.64 1udm n LYS 138 Ca 0.19 -2.71 -0.23 0.00 -1.05 0.00 0.00 58.31 54.50 1udm n LYS 138 Cb 0.40 -1.68 0.16 0.00 -0.65 0.00 0.00 35.03 33.26 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 -0.93 -2.13 -0.12 0.58 0.00 0.52 -4.85 120.51 113.58 1udm n ALA 139 Ca 0.19 -1.18 -0.05 0.00 0.00 0.00 0.00 53.44 52.40 1udm n ALA 139 Cb 0.77 -1.09 0.03 0.00 0.00 0.00 0.00 19.45 19.16 1udm n ALA 139 CO 0.00 0.00 0.00 0.78 0.00 0.00 0.00 177.50 178.28 1udm h GLY 140 N -2.53 0.46 0.00 0.00 0.00 -1.89 -3.46 103.07 95.64 1udm h GLY 140 Ca -0.34 -0.01 0.00 0.00 0.00 0.00 0.00 47.33 46.98 1udm h GLY 140 CO 0.23 -0.05 0.00 0.61 0.00 0.00 0.00 176.54 177.33 1udm n GLY 141 N -1.25 1.26 2.66 4.60 0.00 -1.26 -5.14 105.19 106.05 1udm n GLY 141 Ca 0.03 0.08 -0.28 0.00 0.00 0.00 0.00 46.02 45.84 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 0.00 0.95 -0.23 4.61 0.00 -1.26 -5.10 121.76 120.72 1udm s ALA 142 Ca 0.00 -1.03 0.01 0.00 0.00 0.00 0.00 51.96 50.94 1udm s ALA 142 Cb 0.00 -1.35 0.06 0.00 0.00 0.00 0.00 23.12 21.83 1udm s ALA 142 CO 0.00 -1.46 -0.08 0.54 0.00 0.00 0.00 175.76 174.76 1udm s ASN 143 N 1.91 3.92 -0.14 0.00 4.22 -1.26 -5.07 114.94 118.51 1udm s ASN 143 Ca 0.05 -1.18 0.02 0.00 -2.14 0.00 0.00 52.86 49.61 1udm s ASN 143 Cb -0.17 -1.30 0.01 0.00 1.28 0.00 0.00 41.25 41.07 1udm s ASN 143 CO -0.22 -0.20 -0.19 -0.47 -2.04 0.00 0.00 177.10 173.97 1udm s TYR 144 N 1.31 2.71 -0.31 1.54 5.04 -1.26 -5.09 117.35 121.29 1udm s TYR 144 Ca -0.06 -1.22 0.03 0.00 -2.44 0.00 0.00 57.07 53.38 1udm s TYR 144 Cb -0.19 -1.84 0.09 0.00 0.35 0.00 0.00 41.96 40.37 1udm s TYR 144 CO -0.06 -0.55 0.01 0.16 -1.34 0.00 0.00 175.55 173.77 1udm s ASP 145 N 0.80 4.48 -0.29 4.32 1.47 -1.26 -5.00 116.67 121.18 1udm s ASP 145 Ca -0.07 -1.81 0.04 0.00 1.18 0.00 0.00 52.55 51.90 1udm s ASP 145 Cb -0.16 -1.44 0.19 0.00 -0.34 0.00 0.00 42.92 41.17 1udm s ASP 145 CO -0.01 -0.33 0.56 0.00 0.68 0.00 0.00 175.17 176.07 1udm s ALA 146 N 1.11 -2.17 -0.14 2.11 0.00 -1.26 -5.04 121.76 116.37 1udm s ALA 146 Ca 0.05 1.03 -0.28 0.00 0.00 0.00 0.00 51.96 52.75 1udm s ALA 146 Cb -0.19 -2.40 -0.25 0.00 0.00 0.00 0.00 23.12 20.27 1udm s ALA 146 CO -0.10 -1.74 0.75 -0.56 0.00 0.00 0.00 175.76 174.11 1udm h GLN 147 N 8.03 0.00 -7.02 0.00 -0.00 -2.06 -3.47 115.11 110.59 1udm h GLN 147 Ca -0.05 0.00 -0.60 0.00 -0.00 0.00 0.00 58.65 58.00 1udm h GLN 147 Cb 1.17 0.00 -0.23 0.00 -0.00 0.00 0.00 27.48 28.42 1udm h GLN 147 CO 0.18 0.98 -0.92 0.43 -0.00 0.00 0.00 178.83 179.50 1udm n SER 148 N -4.61 0.49 0.00 0.06 7.64 -1.26 -5.29 113.62 110.64 1udm n SER 148 Ca -0.10 -1.23 0.00 0.00 1.01 0.00 0.00 58.87 58.56 1udm n SER 148 Cb 0.47 -1.53 0.00 0.00 -1.01 0.00 0.00 64.21 62.14 1udm n SER 148 CO 0.00 0.00 0.00 1.21 -3.01 0.00 0.00 175.04 173.24