#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 -3.76 -0.07 1.61 3.41 -1.26 -4.84 113.62 108.71 1udm n SER 2 Ca 0.00 0.06 -0.13 0.00 -0.26 0.00 0.00 58.87 58.54 1udm n SER 2 Cb 0.00 -3.18 -0.06 0.00 -0.26 0.00 0.00 64.21 60.71 1udm n SER 2 CO 0.00 0.00 0.00 -0.08 -0.16 0.00 0.00 175.04 174.80 1udm h GLU 3 N -0.27 0.51 0.00 4.33 4.57 -2.05 -3.49 114.58 118.17 1udm h GLU 3 Ca -0.31 -0.27 0.00 0.00 -1.18 0.00 0.00 59.36 57.60 1udm h GLU 3 Cb 1.23 0.01 0.00 0.00 -0.16 0.00 0.00 28.75 29.82 1udm h GLU 3 CO 0.38 0.84 0.00 0.41 -1.18 0.00 0.00 179.01 179.46 1udm n GLY 4 N 0.17 2.41 3.33 1.92 0.00 -1.26 -5.12 105.19 106.64 1udm n GLY 4 Ca -0.05 -2.00 -0.10 0.00 0.00 0.00 0.00 46.02 43.87 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 -1.76 -1.17 -0.48 4.61 0.00 -1.26 -4.81 121.76 116.89 1udm s ALA 5 Ca 0.00 1.63 -0.28 0.00 0.00 0.00 0.00 51.96 53.31 1udm s ALA 5 Cb 0.00 -0.98 0.01 0.00 0.00 0.00 0.00 23.12 22.15 1udm s ALA 5 CO 0.00 -0.28 1.40 0.00 0.00 0.00 0.00 175.76 176.89 1udm s ALA 6 N 1.31 2.94 -0.12 0.00 0.00 -1.26 -4.88 121.76 119.76 1udm s ALA 6 Ca -0.09 -0.39 -0.24 0.00 0.00 0.00 0.00 51.96 51.25 1udm s ALA 6 Cb -0.07 -4.01 -0.27 0.00 0.00 0.00 0.00 23.12 18.77 1udm s ALA 6 CO -0.12 -2.63 0.68 1.15 0.00 0.00 0.00 175.76 174.84 1udm h THR 7 N 6.43 1.46 -0.68 0.00 2.02 -1.99 -3.36 112.91 116.78 1udm h THR 7 Ca -0.27 -2.38 0.13 0.00 0.77 0.00 0.00 66.41 64.65 1udm h THR 7 Cb 1.10 3.06 -0.13 0.00 -1.74 0.00 0.00 68.15 70.44 1udm h THR 7 CO 1.13 0.61 -0.28 -0.03 0.37 0.00 0.00 175.52 177.31 1udm h MET 8 N -0.72 -0.08 -6.48 6.66 -1.53 -2.03 -3.41 114.93 107.34 1udm h MET 8 Ca -0.14 0.01 -0.63 0.00 -3.44 0.00 0.00 59.70 55.49 1udm h MET 8 Cb 1.34 0.02 -0.16 0.00 -0.55 0.00 0.00 31.60 32.25 1udm h MET 8 CO 0.02 -0.06 -0.77 0.00 0.14 0.00 0.00 176.91 176.24 1udm s ALA 9 N -6.08 2.73 0.18 0.39 0.00 -1.26 -5.15 121.76 112.57 1udm s ALA 9 Ca -0.14 -1.63 0.09 0.00 0.00 0.00 0.00 51.96 50.28 1udm s ALA 9 Cb 0.18 -0.47 -0.04 0.00 0.00 0.00 0.00 23.12 22.79 1udm s ALA 9 CO 0.72 0.41 -0.20 0.99 0.00 0.00 0.00 175.76 177.68 1udm s THR 10 N -1.85 1.98 0.46 0.00 2.01 -1.26 -4.66 115.64 112.32 1udm s THR 10 Ca 0.24 -1.98 0.03 0.00 0.31 0.00 0.00 61.69 60.28 1udm s THR 10 Cb -0.08 -1.94 -0.02 0.00 0.01 0.00 0.00 72.50 70.47 1udm s THR 10 CO 0.13 -0.28 0.08 -0.54 -0.69 0.00 0.00 174.62 173.32 1udm s LYS 11 N -2.83 2.06 -0.02 4.92 -0.14 -0.75 -5.03 119.74 117.95 1udm s LYS 11 Ca 0.18 -2.29 -0.15 0.00 -1.36 0.00 0.00 55.97 52.35 1udm s LYS 11 Cb -0.06 -0.99 0.03 0.00 -1.68 0.00 0.00 37.83 35.12 1udm s LYS 11 CO 0.08 -0.44 0.33 -1.50 -0.76 0.00 0.00 175.35 173.06 1udm s ILE 12 N -3.06 0.05 -0.50 2.17 2.07 -1.26 -0.41 121.20 120.26 1udm s ILE 12 Ca 0.15 -0.42 -0.03 0.00 -1.41 0.00 0.00 60.65 58.95 1udm s ILE 12 Cb 0.02 -0.62 0.18 0.00 0.13 0.00 0.00 42.46 42.16 1udm s ILE 12 CO 0.10 -0.23 2.43 0.47 -1.91 0.00 0.00 174.94 175.79 1udm n ASP 13 N 1.38 6.75 -0.02 4.50 9.92 0.65 -4.80 116.55 134.92 1udm n ASP 13 Ca -0.21 -3.32 0.00 0.00 -0.53 0.00 0.00 54.79 50.73 1udm n ASP 13 Cb 0.56 -1.15 0.01 0.00 -0.64 0.00 0.00 41.12 39.90 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 0.38 -0.01 0.16 -1.24 5.02 -1.26 0.25 118.16 121.46 1udm n LYS 14 Ca 0.47 0.09 -0.17 0.00 -2.02 0.00 0.00 58.31 56.68 1udm n LYS 14 Cb 0.52 -0.13 -0.10 0.00 -0.02 0.00 0.00 35.03 35.31 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 -0.79 -0.29 1.97 4.11 -1.99 0.31 114.58 117.91 1udm h GLU 15 Ca 0.02 0.05 -0.08 0.00 0.07 0.00 0.00 59.36 59.42 1udm h GLU 15 Cb 0.04 0.18 -0.02 0.00 0.50 0.00 0.00 28.75 29.45 1udm h GLU 15 CO -0.06 -0.52 -0.18 0.00 0.07 0.00 0.00 179.01 178.32 1udm h ALA 16 N -0.59 1.15 0.73 1.06 0.00 0.30 -3.16 119.26 118.75 1udm h ALA 16 Ca -0.02 -0.31 -0.04 0.00 0.00 0.00 0.00 54.91 54.55 1udm h ALA 16 Cb 0.79 -0.13 0.01 0.00 0.00 0.00 0.00 17.79 18.45 1udm h ALA 16 CO -0.23 0.54 -0.35 0.00 0.00 0.00 0.00 179.25 179.21 1udm h ARG 18 N -1.01 0.10 0.06 0.00 2.43 -0.43 0.45 114.38 115.97 1udm h ARG 18 Ca -0.10 -0.01 0.00 0.00 -0.81 0.00 0.00 59.98 59.07 1udm h ARG 18 Cb 0.75 -0.02 -0.01 0.00 -0.42 0.00 0.00 29.97 30.27 1udm h ARG 18 CO 0.17 0.07 -0.07 0.00 -1.51 0.00 0.00 179.97 178.62 1udm h ALA 19 N 1.94 -0.13 -0.39 2.80 0.00 -1.48 -0.49 119.26 121.52 1udm h ALA 19 Ca 0.78 -0.01 -0.03 0.00 0.00 0.00 0.00 54.91 55.65 1udm h ALA 19 Cb 1.94 0.11 -0.02 0.00 0.00 0.00 0.00 17.79 19.82 1udm h ALA 19 CO -0.73 -0.59 0.13 0.00 0.00 0.00 0.00 179.25 178.06 1udm h ALA 20 N 0.77 0.51 0.00 0.00 0.00 0.07 0.81 119.26 121.42 1udm h ALA 20 Ca 0.01 -0.16 0.00 0.00 0.00 0.00 0.00 54.91 54.76 1udm h ALA 20 Cb 0.16 -0.15 0.00 0.00 0.00 0.00 0.00 17.79 17.80 1udm h ALA 20 CO -0.03 0.15 0.00 -0.92 0.00 0.00 0.00 179.25 178.44 1udm h TYR 21 N 0.49 0.00 0.06 0.00 3.20 -0.80 -2.71 116.97 117.21 1udm h TYR 21 Ca 0.13 0.00 -0.37 0.00 3.14 0.00 0.00 58.73 61.63 1udm h TYR 21 Cb 0.24 0.00 -0.04 0.00 1.54 0.00 0.00 36.73 38.47 1udm h TYR 21 CO 0.01 0.00 -2.14 0.09 -1.64 0.00 0.00 178.16 174.48 1udm n ASN 22 N -2.50 2.04 0.15 -2.11 3.02 -0.21 -2.84 115.26 112.81 1udm n ASN 22 Ca -0.00 0.12 0.07 0.00 -0.03 0.00 0.00 54.58 54.73 1udm n ASN 22 Cb 0.14 -0.71 0.36 0.00 -0.61 0.00 0.00 39.78 38.95 1udm n ASN 22 CO 0.00 0.00 0.00 0.18 -2.62 0.00 0.00 177.26 174.82 1udm n LEU 23 N -3.55 0.34 -0.06 3.41 7.99 0.21 -0.14 117.00 125.21 1udm n LEU 23 Ca -0.39 0.56 -0.08 0.00 -0.01 0.00 0.00 56.01 56.10 1udm n LEU 23 Cb 0.98 -0.53 -0.06 0.00 -0.11 0.00 0.00 43.42 43.70 1udm n LEU 23 CO 0.32 -0.68 -0.88 0.55 -1.51 0.00 0.00 177.39 175.19 1udm n VAL 24 N -2.02 0.69 0.18 4.08 3.14 -1.21 -3.59 118.33 119.60 1udm n VAL 24 Ca -0.01 -0.29 0.02 0.00 -2.96 0.00 0.00 64.34 61.10 1udm n VAL 24 Cb 0.27 -0.90 0.33 0.00 -1.06 0.00 0.00 33.84 32.49 1udm n VAL 24 CO 0.00 0.00 0.00 -0.09 -6.46 0.00 0.00 176.83 170.28 1udm h ARG 25 N 0.00 0.00 -7.17 1.45 2.43 -1.04 -3.45 114.38 106.60 1udm h ARG 25 Ca -0.27 0.00 -0.52 0.00 -0.81 0.00 0.00 59.98 58.38 1udm h ARG 25 Cb 1.45 0.00 0.13 0.00 -0.42 0.00 0.00 29.97 31.13 1udm h ARG 25 CO -0.03 0.41 0.40 0.34 -1.51 0.00 0.00 179.97 179.58 1udm s ASP 26 N -6.86 4.68 0.01 -3.80 2.15 0.81 -4.93 116.67 108.72 1udm s ASP 26 Ca -0.02 2.23 -0.02 0.00 0.43 0.00 0.00 52.55 55.17 1udm s ASP 26 Cb 0.14 -2.58 -0.00 0.00 -0.30 0.00 0.00 42.92 40.18 1udm s ASP 26 CO 0.73 -1.93 0.97 0.47 -0.17 0.00 0.00 175.17 175.23 1udm n ASP 27 N -2.43 -0.06 -3.12 -0.34 9.92 -1.26 -4.18 116.55 115.07 1udm n ASP 27 Ca 0.12 0.98 -0.19 0.00 -0.53 0.00 0.00 54.79 55.18 1udm n ASP 27 Cb 0.51 -0.46 -0.05 0.00 -0.64 0.00 0.00 41.12 40.48 1udm n ASP 27 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 1udm n GLY 28 N -1.01 1.42 0.96 0.44 0.00 -1.26 -4.95 105.19 100.78 1udm n GLY 28 Ca 0.00 -0.79 0.02 0.00 0.00 0.00 0.00 46.02 45.26 1udm n GLY 28 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 1udm n SER 29 N 2.39 2.55 -1.02 1.61 2.88 -1.26 -4.82 113.62 115.96 1udm n SER 29 Ca 0.23 -2.30 -0.10 0.00 -1.33 0.00 0.00 58.87 55.36 1udm n SER 29 Cb 0.53 -0.56 -0.02 0.00 -0.75 0.00 0.00 64.21 63.41 1udm n SER 29 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1udm n ALA 30 N 0.20 -0.24 -3.59 -1.46 0.00 -1.26 -4.95 120.51 109.20 1udm n ALA 30 Ca 0.09 0.12 -0.11 0.00 0.00 0.00 0.00 53.44 53.54 1udm n ALA 30 Cb 0.56 -1.31 -0.10 0.00 0.00 0.00 0.00 19.45 18.60 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 -2.46 -0.01 -0.11 0.00 1.01 -1.24 -3.84 120.40 113.75 1udm s VAL 31 Ca 0.00 0.05 0.03 0.00 0.00 0.00 0.00 61.98 62.06 1udm s VAL 31 Cb 0.00 -0.69 -0.03 0.00 0.00 0.00 0.00 36.38 35.66 1udm s VAL 31 CO 0.00 0.02 0.11 2.30 0.00 0.00 0.00 175.10 177.53 1udm n ILE 32 N 3.85 0.00 -3.83 2.22 -5.35 -1.08 -3.90 119.36 111.27 1udm n ILE 32 Ca -0.20 -0.38 -0.12 0.00 -0.27 0.00 0.00 62.75 61.78 1udm n ILE 32 Cb 0.56 0.92 -0.12 0.00 -1.74 0.00 0.00 39.64 39.26 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 -1.39 -0.14 -0.05 4.28 1.48 -1.08 -0.58 118.94 121.46 1udm s TRP 33 Ca 0.01 0.33 -0.02 0.00 -1.06 0.00 0.00 56.10 55.36 1udm s TRP 33 Cb 0.02 0.04 0.03 0.00 -1.16 0.00 0.00 33.47 32.41 1udm s TRP 33 CO 0.11 -0.12 0.10 0.14 -4.06 0.00 0.00 176.95 173.13 1udm s VAL 34 N -0.16 -0.05 0.14 -0.66 -7.23 0.58 -3.11 120.40 109.91 1udm s VAL 34 Ca -0.02 0.19 0.02 0.00 -1.81 0.00 0.00 61.98 60.35 1udm s VAL 34 Cb -0.02 -0.18 -0.04 0.00 0.56 0.00 0.00 36.38 36.70 1udm s VAL 34 CO 0.00 0.08 0.29 0.42 -0.31 0.00 0.00 175.10 175.58 1udm s THR 35 N 1.11 5.32 -0.39 5.32 -4.23 -0.94 0.04 115.64 121.87 1udm s THR 35 Ca -0.09 -0.61 0.02 0.00 -1.18 0.00 0.00 61.69 59.82 1udm s THR 35 Cb -0.12 -3.73 0.12 0.00 1.34 0.00 0.00 72.50 70.11 1udm s THR 35 CO -0.05 -0.07 0.18 -0.36 -0.54 0.00 0.00 174.62 173.78 1udm s PHE 36 N -1.73 2.17 0.57 3.99 0.40 0.90 0.15 117.98 124.44 1udm s PHE 36 Ca 0.35 -2.33 0.08 0.00 -0.60 0.00 0.00 56.93 54.43 1udm s PHE 36 Cb -0.11 -2.01 0.08 0.00 0.51 0.00 0.00 43.02 41.49 1udm s PHE 36 CO 0.28 -0.83 0.79 -0.98 0.70 0.00 0.00 175.22 175.19 1udm s ARG 37 N 0.75 2.30 -0.04 0.44 1.70 0.59 -2.35 118.95 122.34 1udm s ARG 37 Ca 0.15 -1.52 -0.09 0.00 -0.47 0.00 0.00 55.73 53.79 1udm s ARG 37 Cb -0.22 -2.63 -0.05 0.00 -0.57 0.00 0.00 34.95 31.49 1udm s ARG 37 CO -0.08 -0.85 0.26 0.71 -1.08 0.00 0.00 175.30 174.26 1udm s TYR 38 N -2.68 3.63 -0.08 5.89 2.02 -1.26 0.56 117.35 125.42 1udm s TYR 38 Ca 0.61 0.67 0.09 0.00 -0.37 0.00 0.00 57.07 58.07 1udm s TYR 38 Cb -0.06 -2.05 0.14 0.00 -0.40 0.00 0.00 41.96 39.59 1udm s TYR 38 CO 0.39 0.67 1.08 -3.47 -1.57 0.00 0.00 175.55 172.64 1udm n ASP 39 N 1.62 2.21 0.00 2.29 -0.08 -0.75 -4.92 116.55 116.91 1udm n ASP 39 Ca -0.15 -2.50 0.00 0.00 -1.51 0.00 0.00 54.79 50.62 1udm n ASP 39 Cb 0.53 -0.21 0.00 0.00 2.34 0.00 0.00 41.12 43.79 1udm n ASP 39 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 1udm n GLY 40 N -0.90 -0.02 2.47 0.27 0.00 -1.26 -4.84 105.19 100.91 1udm n GLY 40 Ca 0.08 -0.28 -0.02 0.00 0.00 0.00 0.00 46.02 45.80 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 -0.03 -3.75 4.61 0.00 -1.26 -4.76 120.51 115.31 1udm n ALA 41 Ca 0.00 0.03 -0.15 0.00 0.00 0.00 0.00 53.44 53.33 1udm n ALA 41 Cb 0.00 -0.87 -0.16 0.00 0.00 0.00 0.00 19.45 18.42 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 -1.67 -0.06 0.33 0.00 2.01 -1.26 -1.80 115.64 113.19 1udm s THR 42 Ca 0.00 0.21 -0.29 0.00 0.31 0.00 0.00 61.69 61.92 1udm s THR 42 Cb 0.00 -0.12 -0.10 0.00 0.01 0.00 0.00 72.50 72.29 1udm s THR 42 CO 0.00 0.08 1.28 -0.63 -0.69 0.00 0.00 174.62 174.66 1udm s ILE 43 N 1.09 2.83 -0.11 1.82 1.01 0.45 -1.81 121.20 126.47 1udm s ILE 43 Ca -0.09 0.83 -0.22 0.00 0.00 0.00 0.00 60.65 61.16 1udm s ILE 43 Cb -0.12 -3.52 0.05 0.00 0.01 0.00 0.00 42.46 38.87 1udm s ILE 43 CO -0.04 0.19 0.55 0.68 0.00 0.00 0.00 174.94 176.32 1udm s VAL 44 N -1.15 0.01 -0.38 2.92 -7.23 0.19 -0.25 120.40 114.50 1udm s VAL 44 Ca 0.49 -0.11 -0.34 0.00 -1.81 0.00 0.00 61.98 60.22 1udm s VAL 44 Cb -0.38 -0.82 -0.11 0.00 0.56 0.00 0.00 36.38 35.62 1udm s VAL 44 CO 0.51 -0.06 2.24 -2.65 -0.31 0.00 0.00 175.10 174.83 1udm n PRO 45 N 1.82 1.10 0.00 4.82 -0.02 -1.26 -0.30 135.00 141.16 1udm n PRO 45 Ca -0.17 0.27 0.00 0.00 -2.02 0.00 0.00 63.50 61.58 1udm n PRO 45 Cb 0.56 -2.57 0.00 0.00 -0.02 0.00 0.00 33.50 31.48 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 6.43 -0.54 3.99 -1.23 0.00 0.40 -4.78 105.19 109.47 1udm n GLY 46 Ca 0.41 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 46.23 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 -1.62 5.19 0.18 1.61 1.11 -1.26 -4.91 116.67 116.97 1udm s ASP 47 Ca 0.00 -0.77 -0.17 0.00 0.18 0.00 0.00 52.55 51.80 1udm s ASP 47 Cb 0.00 -0.08 0.03 0.00 1.07 0.00 0.00 42.92 43.94 1udm s ASP 47 CO 0.00 -1.05 0.48 -1.10 1.18 0.00 0.00 175.17 174.68 1udm s GLN 48 N -4.45 1.31 0.00 8.23 -0.21 -1.26 -2.21 119.66 121.06 1udm s GLN 48 Ca 0.54 -0.86 0.00 0.00 0.02 0.00 0.00 55.36 55.06 1udm s GLN 48 Cb -0.06 0.50 0.00 0.00 1.00 0.00 0.00 33.01 34.45 1udm s GLN 48 CO 0.33 -0.54 0.00 0.41 -2.12 0.00 0.00 175.29 173.37 1udm n GLY 49 N -0.31 3.42 0.14 3.09 0.00 -1.18 -4.97 105.19 105.37 1udm n GLY 49 Ca -0.11 -1.09 0.12 0.00 0.00 0.00 0.00 46.02 44.94 1udm n GLY 49 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1udm h ALA 50 N 0.00 0.62 -1.39 4.61 0.00 -1.87 -2.79 119.26 118.44 1udm h ALA 50 Ca 0.00 0.00 -0.55 0.00 0.00 0.00 0.00 54.91 54.36 1udm h ALA 50 Cb 0.00 0.00 -0.08 0.00 0.00 0.00 0.00 17.79 17.71 1udm h ALA 50 CO 0.00 0.00 1.03 0.34 0.00 0.00 0.00 179.25 180.62 1udm s ASP 51 N -5.54 6.17 0.56 0.00 2.15 -1.26 -4.53 116.67 114.23 1udm s ASP 51 Ca 0.02 -0.46 0.28 0.00 0.43 0.00 0.00 52.55 52.82 1udm s ASP 51 Cb 0.09 -2.55 1.48 0.00 -0.30 0.00 0.00 42.92 41.63 1udm s ASP 51 CO 0.76 -1.80 1.96 0.22 -0.17 0.00 0.00 175.17 176.13 1udm h TYR 52 N 9.98 0.00 -0.23 -5.34 5.03 -1.97 0.21 116.97 124.65 1udm h TYR 52 Ca -0.28 0.00 -0.09 0.00 2.58 0.00 0.00 58.73 60.94 1udm h TYR 52 Cb 1.05 0.00 -0.01 0.00 1.55 0.00 0.00 36.73 39.32 1udm h TYR 52 CO 1.12 0.00 -0.26 1.96 -1.32 0.00 0.00 178.16 179.66 1udm h GLN 53 N 0.00 0.45 -0.24 1.82 1.08 -1.98 -2.73 115.11 113.51 1udm h GLN 53 Ca 0.24 -0.17 -0.07 0.00 -1.45 0.00 0.00 58.65 57.20 1udm h GLN 53 Cb 1.11 -0.03 -0.01 0.00 -0.05 0.00 0.00 27.48 28.49 1udm h GLN 53 CO -0.00 0.67 -0.18 0.45 -0.95 0.00 0.00 178.83 178.82 1udm h HIS 54 N 0.40 0.44 -0.58 2.96 3.86 -0.98 -2.69 115.15 118.57 1udm h HIS 54 Ca 0.06 -0.07 -0.07 0.00 -1.16 0.00 0.00 60.37 59.12 1udm h HIS 54 Cb 0.66 -0.12 -0.02 0.00 1.06 0.00 0.00 27.41 28.99 1udm h HIS 54 CO 0.02 0.57 0.07 0.35 0.86 0.00 0.00 177.93 179.80 1udm h PHE 55 N 0.38 1.04 0.00 2.45 3.57 -1.43 -2.41 116.94 120.54 1udm h PHE 55 Ca 0.07 -0.15 -0.00 0.00 3.53 0.00 0.00 57.97 61.41 1udm h PHE 55 Cb 0.53 -0.28 -0.00 0.00 2.79 0.00 0.00 35.95 38.99 1udm h PHE 55 CO 0.01 0.91 -0.01 0.82 -2.23 0.00 0.00 178.31 177.81 1udm h ILE 56 N 0.87 0.03 -0.01 1.41 2.04 -1.41 -2.29 117.51 118.15 1udm h ILE 56 Ca 0.17 -0.51 0.00 0.00 1.00 0.00 0.00 64.86 65.52 1udm h ILE 56 Cb 0.45 1.50 0.00 0.00 -0.74 0.00 0.00 36.82 38.02 1udm h ILE 56 CO 0.02 0.01 0.00 0.00 0.00 0.00 0.00 178.15 178.18 1udm n GLN 57 N -3.11 1.02 -0.02 2.37 3.00 -0.91 -3.30 117.38 116.44 1udm n GLN 57 Ca 0.00 -0.04 -0.02 0.00 -0.01 0.00 0.00 57.00 56.94 1udm n GLN 57 Cb 0.30 -1.21 -0.03 0.00 0.00 0.00 0.00 30.24 29.29 1udm n GLN 57 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.06 178.10 1udm n GLN 58 N -0.67 3.13 -2.53 -1.09 1.13 -0.87 -4.94 117.38 111.54 1udm n GLN 58 Ca 0.10 -0.00 -0.42 0.00 -1.94 0.00 0.00 57.00 54.74 1udm n GLN 58 Cb 0.05 -1.11 -0.03 0.00 0.11 0.00 0.00 30.24 29.27 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 5.36 1.27 -2.00 0.00 -4.23 -1.26 -4.88 115.64 109.89 1udm s THR 60 Ca 0.44 -1.97 0.17 0.00 -1.18 0.00 0.00 61.69 59.15 1udm s THR 60 Cb -0.08 -2.24 0.47 0.00 1.34 0.00 0.00 72.50 71.99 1udm s THR 60 CO 0.24 0.00 1.60 -0.90 -0.54 0.00 0.00 174.62 175.02 1udm n ASP 61 N -1.27 0.00 -0.11 3.99 5.68 -1.26 -2.85 116.55 120.74 1udm n ASP 61 Ca -0.17 -1.37 0.10 0.00 -0.50 0.00 0.00 54.79 52.85 1udm n ASP 61 Cb 0.67 0.00 0.14 0.00 -1.14 0.00 0.00 41.12 40.79 1udm n ASP 61 CO 0.00 0.00 0.00 -0.90 -1.33 0.00 0.00 177.20 174.97 1udm n ASP 62 N -0.78 2.28 -3.56 -1.12 5.68 -1.26 -2.77 116.55 115.03 1udm n ASP 62 Ca 0.13 -3.12 -0.14 0.00 -0.50 0.00 0.00 54.79 51.16 1udm n ASP 62 Cb 0.06 -0.43 -0.05 0.00 -1.14 0.00 0.00 41.12 39.55 1udm n ASP 62 CO 0.00 0.00 0.00 0.54 -1.33 0.00 0.00 177.20 176.41 1udm s VAL 63 N -2.86 0.03 -0.09 2.12 0.11 -1.13 -5.00 120.40 113.57 1udm s VAL 63 Ca 0.32 -0.21 -0.06 0.00 -2.93 0.00 0.00 61.98 59.10 1udm s VAL 63 Cb 0.28 -0.98 0.03 0.00 -1.53 0.00 0.00 36.38 34.18 1udm s VAL 63 CO 0.02 -0.12 0.21 0.00 -3.33 0.00 0.00 175.10 171.89 1udm s ARG 64 N -2.50 0.20 -0.04 1.54 3.03 -1.26 -0.67 118.95 119.25 1udm s ARG 64 Ca -0.05 0.41 -0.31 0.00 2.03 0.00 0.00 55.73 57.81 1udm s ARG 64 Cb -0.01 -0.04 0.11 0.00 -1.03 0.00 0.00 34.95 33.99 1udm s ARG 64 CO -0.02 -0.11 1.15 -0.48 -1.13 0.00 0.00 175.30 174.71 1udm s LEU 65 N 0.80 -0.15 0.58 -1.89 -0.00 0.88 -4.71 118.68 114.18 1udm s LEU 65 Ca -0.06 -0.12 -0.14 0.00 -0.00 0.00 0.00 54.13 53.81 1udm s LEU 65 Cb -0.07 1.61 -0.05 0.00 -0.00 0.00 0.00 46.19 47.68 1udm s LEU 65 CO -0.05 -0.43 1.01 -0.36 -0.00 0.00 0.00 176.35 176.52 1udm s PHE 66 N -2.68 3.51 -0.29 3.48 0.40 -0.99 0.14 117.98 121.54 1udm s PHE 66 Ca 0.11 1.38 -0.01 0.00 -0.60 0.00 0.00 56.93 57.81 1udm s PHE 66 Cb 0.01 -2.77 0.13 0.00 0.51 0.00 0.00 43.02 40.90 1udm s PHE 66 CO -0.04 -0.59 0.27 0.00 0.70 0.00 0.00 175.22 175.55 1udm s ALA 67 N -2.91 -0.27 -0.29 5.36 0.00 0.21 -0.07 121.76 123.79 1udm s ALA 67 Ca 0.57 -0.45 -0.20 0.00 0.00 0.00 0.00 51.96 51.88 1udm s ALA 67 Cb -0.11 -1.72 -0.01 0.00 0.00 0.00 0.00 23.12 21.27 1udm s ALA 67 CO 0.44 -1.70 0.60 0.12 0.00 0.00 0.00 175.76 175.22 1udm s PHE 68 N 2.32 3.23 0.00 0.00 2.19 0.11 0.69 117.98 126.51 1udm s PHE 68 Ca 0.09 0.60 0.07 0.00 0.33 0.00 0.00 56.93 58.02 1udm s PHE 68 Cb -0.14 -2.92 -0.02 0.00 -1.31 0.00 0.00 43.02 38.62 1udm s PHE 68 CO -0.34 -0.43 -0.21 0.08 1.83 0.00 0.00 175.22 176.16 1udm s VAL 69 N 2.53 1.67 -0.30 3.12 1.01 -1.21 -0.31 120.40 126.91 1udm s VAL 69 Ca 0.24 -1.00 -0.16 0.00 0.00 0.00 0.00 61.98 61.06 1udm s VAL 69 Cb -0.15 -1.40 -0.02 0.00 0.00 0.00 0.00 36.38 34.80 1udm s VAL 69 CO 0.11 0.38 0.43 -0.60 0.00 0.00 0.00 175.10 175.42 1udm s ARG 70 N -0.72 3.84 0.39 2.72 3.52 0.25 -3.18 118.95 125.77 1udm s ARG 70 Ca 0.08 -0.05 0.08 0.00 -0.13 0.00 0.00 55.73 55.71 1udm s ARG 70 Cb -0.08 -3.72 -0.03 0.00 -1.56 0.00 0.00 34.95 29.56 1udm s ARG 70 CO 0.00 -0.43 0.32 -0.06 -0.81 0.00 0.00 175.30 174.32 1udm s PHE 71 N 2.18 2.76 -0.13 5.12 0.40 0.89 -4.95 117.98 124.25 1udm s PHE 71 Ca 0.16 -0.43 0.01 0.00 -0.60 0.00 0.00 56.93 56.06 1udm s PHE 71 Cb -0.16 -2.01 0.02 0.00 0.51 0.00 0.00 43.02 41.39 1udm s PHE 71 CO 0.11 0.02 -0.13 0.95 0.70 0.00 0.00 175.22 176.87 1udm s THR 72 N -2.43 1.47 -0.01 0.64 -4.23 -1.26 0.07 115.64 109.89 1udm s THR 72 Ca 0.45 -0.58 0.01 0.00 -1.18 0.00 0.00 61.69 60.38 1udm s THR 72 Cb -0.03 -1.39 -0.01 0.00 1.34 0.00 0.00 72.50 72.41 1udm s THR 72 CO 0.27 0.44 -0.00 0.35 -0.54 0.00 0.00 174.62 175.14 1udm n THR 73 N 4.66 0.08 -2.43 3.99 -2.24 -1.12 -4.86 114.28 112.35 1udm n THR 73 Ca -0.17 -0.04 -0.43 0.00 -2.27 0.00 0.00 64.05 61.14 1udm n THR 73 Cb 0.50 -0.79 0.00 0.00 -2.10 0.00 0.00 70.33 67.95 1udm n THR 73 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1udm n GLY 74 N 3.15 3.34 0.07 3.38 0.00 0.08 -4.54 105.19 110.67 1udm n GLY 74 Ca -0.02 -1.65 0.06 0.00 0.00 0.00 0.00 46.02 44.41 1udm n GLY 74 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 1udm n ASP 75 N 6.97 2.26 -0.01 1.61 2.03 -1.26 -2.42 116.55 125.74 1udm n ASP 75 Ca 0.47 -2.65 -0.01 0.00 0.52 0.00 0.00 54.79 53.12 1udm n ASP 75 Cb 0.43 -0.26 -0.00 0.00 -0.72 0.00 0.00 41.12 40.56 1udm n ASP 75 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 1udm n ALA 76 N -1.02 0.41 -0.31 -1.67 0.00 -1.26 -4.98 120.51 111.67 1udm n ALA 76 Ca 0.10 -0.32 0.00 0.00 0.00 0.00 0.00 53.44 53.22 1udm n ALA 76 Cb 0.49 0.01 0.00 0.00 0.00 0.00 0.00 19.45 19.95 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 -2.82 0.00 -4.05 0.00 2.81 -1.26 -5.04 117.12 106.76 1udm n MET 77 Ca -0.02 0.00 -0.29 0.00 -1.81 0.00 0.00 57.70 55.58 1udm n MET 77 Cb 0.08 -0.34 -0.06 0.00 -0.71 0.00 0.00 33.22 32.19 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 -3.07 5.62 -0.59 7.83 1.04 -1.26 -5.06 113.70 118.21 1udm s SER 78 Ca 0.00 -0.03 -0.28 0.00 0.48 0.00 0.00 55.95 56.12 1udm s SER 78 Cb 0.00 -1.52 0.02 0.00 0.10 0.00 0.00 66.02 64.63 1udm s SER 78 CO 0.00 0.12 1.28 -0.54 0.98 0.00 0.00 173.24 175.09 1udm s LYS 79 N -2.73 3.40 -0.16 4.02 1.02 -1.24 -4.10 119.74 119.96 1udm s LYS 79 Ca 0.31 0.27 0.00 0.00 0.02 0.00 0.00 55.97 56.57 1udm s LYS 79 Cb -0.11 -4.07 0.03 0.00 -0.52 0.00 0.00 37.83 33.16 1udm s LYS 79 CO 0.23 -1.82 -0.10 0.50 -0.92 0.00 0.00 175.35 173.24 1udm s ARG 80 N 5.24 1.87 0.00 1.68 3.00 -1.01 -4.97 118.95 124.76 1udm s ARG 80 Ca 0.46 -0.55 -0.07 0.00 -1.00 0.00 0.00 55.73 54.57 1udm s ARG 80 Cb -0.09 -2.04 -0.05 0.00 0.00 0.00 0.00 34.95 32.77 1udm s ARG 80 CO 0.24 -0.33 0.27 -1.12 0.00 0.00 0.00 175.30 174.36 1udm s SER 81 N 1.55 6.50 0.48 -2.12 0.01 -1.26 -0.74 113.70 118.12 1udm s SER 81 Ca 0.03 0.58 0.04 0.00 1.31 0.00 0.00 55.95 57.90 1udm s SER 81 Cb -0.14 -2.10 -0.02 0.00 0.21 0.00 0.00 66.02 63.97 1udm s SER 81 CO -0.09 0.26 0.11 -0.54 0.41 0.00 0.00 173.24 173.40 1udm s LYS 82 N -1.69 2.17 0.27 12.44 -0.14 0.11 -4.94 119.74 127.96 1udm s LYS 82 Ca 0.27 -2.17 -0.14 0.00 -1.36 0.00 0.00 55.97 52.56 1udm s LYS 82 Cb -0.13 -1.74 0.01 0.00 -1.68 0.00 0.00 37.83 34.28 1udm s LYS 82 CO 0.15 -0.31 0.55 -0.06 -0.76 0.00 0.00 175.35 174.93 1udm s PHE 83 N -2.77 0.26 -0.29 3.18 0.40 -1.26 -0.08 117.98 117.41 1udm s PHE 83 Ca 0.23 -0.65 -0.16 0.00 -0.60 0.00 0.00 56.93 55.75 1udm s PHE 83 Cb 0.03 0.34 0.16 0.00 0.51 0.00 0.00 43.02 44.06 1udm s PHE 83 CO 0.13 -1.10 1.03 0.00 0.70 0.00 0.00 175.22 175.99 1udm s ALA 84 N -3.84 -2.53 -0.92 5.36 0.00 -1.19 -3.12 121.76 115.52 1udm s ALA 84 Ca 0.20 2.10 -0.24 0.00 0.00 0.00 0.00 51.96 54.01 1udm s ALA 84 Cb -0.02 -1.90 0.03 0.00 0.00 0.00 0.00 23.12 21.23 1udm s ALA 84 CO 0.09 -0.59 1.47 -1.17 0.00 0.00 0.00 175.76 175.57 1udm s LEU 85 N 1.72 3.37 -0.65 0.00 2.96 -0.65 -3.32 118.68 122.11 1udm s LEU 85 Ca -0.06 -1.03 -0.27 0.00 -0.22 0.00 0.00 54.13 52.55 1udm s LEU 85 Cb -0.04 -2.56 -0.00 0.00 0.50 0.00 0.00 46.19 44.08 1udm s LEU 85 CO -0.15 -1.76 1.68 -0.63 -1.32 0.00 0.00 176.35 174.17 1udm s ILE 86 N 5.86 3.47 -0.68 6.68 1.01 0.22 0.58 121.20 138.33 1udm s ILE 86 Ca 0.46 0.27 -0.26 0.00 0.00 0.00 0.00 60.65 61.12 1udm s ILE 86 Cb -0.03 -4.25 0.04 0.00 0.01 0.00 0.00 42.46 38.22 1udm s ILE 86 CO -0.01 -1.21 1.18 -0.89 0.00 0.00 0.00 174.94 174.01 1udm s THR 87 N 8.02 3.93 0.10 2.92 2.01 0.60 0.67 115.64 133.89 1udm s THR 87 Ca 0.57 0.37 -0.23 0.00 0.31 0.00 0.00 61.69 62.71 1udm s THR 87 Cb -0.11 -4.81 -0.07 0.00 0.01 0.00 0.00 72.50 67.52 1udm s THR 87 CO 0.19 -1.63 0.70 0.86 -0.69 0.00 0.00 174.62 174.04 1udm s TRP 88 N 5.17 3.83 -0.31 4.92 -0.11 0.12 -0.43 118.94 132.13 1udm s TRP 88 Ca 0.34 1.46 0.00 0.00 1.22 0.00 0.00 56.10 59.12 1udm s TRP 88 Cb -0.10 -2.68 0.14 0.00 -1.50 0.00 0.00 33.47 29.33 1udm s TRP 88 CO 0.17 0.48 0.31 0.42 -4.62 0.00 0.00 176.95 173.70 1udm s ILE 89 N -0.86 -0.37 -0.30 5.86 1.01 -0.48 -0.09 121.20 125.97 1udm s ILE 89 Ca 0.34 -0.62 -0.28 0.00 0.00 0.00 0.00 60.65 60.09 1udm s ILE 89 Cb -0.21 -0.93 -0.12 0.00 0.01 0.00 0.00 42.46 41.21 1udm s ILE 89 CO 0.23 -0.51 0.96 0.61 0.00 0.00 0.00 174.94 176.23 1udm n GLY 90 N 5.07 0.11 0.00 6.18 0.00 0.15 -4.42 105.19 112.28 1udm n GLY 90 Ca 0.01 0.61 0.04 0.00 0.00 0.00 0.00 46.02 46.67 1udm n GLY 90 CO 0.00 0.00 0.00 -1.84 0.00 0.00 0.00 173.32 171.48 1udm n GLU 91 N 2.40 0.15 -0.00 1.61 -0.00 -1.21 -1.14 120.64 122.43 1udm n GLU 91 Ca 0.19 0.16 0.05 0.00 -0.00 0.00 0.00 57.16 57.55 1udm n GLU 91 Cb -0.04 -1.50 -0.06 0.00 -0.00 0.00 0.00 31.44 29.84 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 -1.22 1.71 -4.55 -1.84 -0.08 -1.20 -5.03 116.55 104.34 1udm n ASP 92 Ca 0.04 -0.33 -0.36 0.00 -1.51 0.00 0.00 54.79 52.63 1udm n ASP 92 Cb 0.05 1.23 0.08 0.00 2.34 0.00 0.00 41.12 44.83 1udm n ASP 92 CO 0.00 0.00 0.00 1.33 0.12 0.00 0.00 177.20 178.65 1udm n VAL 93 N -1.55 2.24 -2.25 5.18 0.24 -0.30 -4.91 118.33 116.99 1udm n VAL 93 Ca -0.00 -0.36 -0.41 0.00 -2.04 0.00 0.00 64.34 61.52 1udm n VAL 93 Cb 0.20 -0.95 -0.03 0.00 -1.47 0.00 0.00 33.84 31.59 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 -1.62 6.94 0.16 -1.34 0.15 -1.26 -4.91 113.70 111.82 1udm s SER 94 Ca 0.70 2.40 -0.13 0.00 0.70 0.00 0.00 55.95 59.61 1udm s SER 94 Cb -0.34 -2.61 0.15 0.00 -1.71 0.00 0.00 66.02 61.50 1udm s SER 94 CO 0.54 -0.48 1.09 0.61 1.20 0.00 0.00 173.24 176.20 1udm n GLY 95 N 2.08 -1.48 0.34 9.45 0.00 -1.26 -0.28 105.19 114.04 1udm n GLY 95 Ca 0.05 0.79 -0.09 0.00 0.00 0.00 0.00 46.02 46.77 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 -5.02 -0.86 -0.27 0.99 -0.00 -1.26 0.42 117.00 110.99 1udm n LEU 96 Ca 0.07 1.52 0.04 0.00 -0.00 0.00 0.00 56.01 57.63 1udm n LEU 96 Cb 0.27 -0.22 0.12 0.00 -0.00 0.00 0.00 43.42 43.59 1udm n LEU 96 CO -0.10 -1.21 0.74 1.56 -0.00 0.00 0.00 177.39 178.38 1udm h GLN 97 N 0.00 0.02 -0.19 1.96 4.20 -1.01 0.66 115.11 120.75 1udm h GLN 97 Ca 0.13 -0.00 -0.08 0.00 0.06 0.00 0.00 58.65 58.76 1udm h GLN 97 Cb 0.33 -0.01 -0.01 0.00 0.30 0.00 0.00 27.48 28.10 1udm h GLN 97 CO -0.77 0.02 -0.22 -0.09 -0.67 0.00 0.00 178.83 177.10 1udm h ARG 98 N 0.02 0.34 0.00 1.46 2.43 0.02 0.16 114.38 118.81 1udm h ARG 98 Ca 0.40 -0.11 -0.02 0.00 -0.81 0.00 0.00 59.98 59.44 1udm h ARG 98 Cb 0.65 -0.03 -0.00 0.00 -0.42 0.00 0.00 29.97 30.17 1udm h ARG 98 CO -0.78 0.55 -0.09 0.00 -1.51 0.00 0.00 179.97 178.14 1udm h ALA 99 N 1.46 1.04 0.01 2.80 0.00 0.39 -0.86 119.26 124.11 1udm h ALA 99 Ca 0.05 -0.08 -0.36 0.00 0.00 0.00 0.00 54.91 54.52 1udm h ALA 99 Cb 0.57 -0.01 -0.06 0.00 0.00 0.00 0.00 17.79 18.28 1udm h ALA 99 CO 0.04 0.11 -2.28 1.63 0.00 0.00 0.00 179.25 178.75 1udm n LYS 100 N -3.26 0.68 0.18 0.00 4.76 -0.03 -4.12 118.16 116.38 1udm n LYS 100 Ca -0.00 0.12 0.06 0.00 -2.87 0.00 0.00 58.31 55.62 1udm n LYS 100 Cb 0.32 -1.58 0.28 0.00 -1.84 0.00 0.00 35.03 32.21 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 0.01 0.75 0.00 -0.18 2.02 -0.63 -0.83 112.91 114.05 1udm h THR 101 Ca -0.51 -1.59 0.00 0.00 0.77 0.00 0.00 66.41 65.08 1udm h THR 101 Cb 2.07 2.03 0.00 0.00 -1.74 0.00 0.00 68.15 70.52 1udm h THR 101 CO 0.00 0.35 0.00 1.23 0.37 0.00 0.00 175.52 177.47 1udm h GLY 102 N 2.56 0.00 0.00 2.16 0.00 -1.34 -3.23 103.07 103.22 1udm h GLY 102 Ca -0.00 0.00 -0.28 0.00 0.00 0.00 0.00 47.33 47.04 1udm h GLY 102 CO 0.05 0.00 -2.06 2.41 0.00 0.00 0.00 176.54 176.94 1udm n THR 103 N -2.54 1.06 0.33 4.70 -1.04 -1.14 -4.37 114.28 111.28 1udm n THR 103 Ca 0.05 -0.61 0.14 0.00 -2.04 0.00 0.00 64.05 61.58 1udm n THR 103 Cb 0.45 -0.69 0.60 0.00 -1.82 0.00 0.00 70.33 68.87 1udm n THR 103 CO 0.00 0.00 0.00 -2.24 -0.64 0.00 0.00 175.07 172.19 1udm h ASP 104 N 0.00 0.00 -0.65 8.00 2.03 -1.24 -2.86 116.42 121.70 1udm h ASP 104 Ca -0.42 0.00 0.16 0.00 -0.73 0.00 0.00 57.03 56.04 1udm h ASP 104 Cb 1.90 0.00 -0.03 0.00 -0.83 0.00 0.00 39.33 40.37 1udm h ASP 104 CO 0.01 0.00 0.46 0.50 -1.03 0.00 0.00 179.24 179.17 1udm h LYS 105 N 0.00 0.15 0.00 4.15 3.64 -1.75 0.37 116.57 123.13 1udm h LYS 105 Ca 0.00 -0.01 0.00 0.00 -1.27 0.00 0.00 60.65 59.37 1udm h LYS 105 Cb 0.30 -0.03 0.00 0.00 -0.41 0.00 0.00 32.23 32.08 1udm h LYS 105 CO 0.00 0.10 0.00 1.15 -2.27 0.00 0.00 179.45 178.43 1udm h THR 106 N 0.16 0.00 0.07 1.00 2.02 -1.81 -0.77 112.91 113.58 1udm h THR 106 Ca 0.32 -0.16 -0.30 0.00 0.77 0.00 0.00 66.41 67.04 1udm h THR 106 Cb 1.03 0.94 -0.02 0.00 -1.74 0.00 0.00 68.15 68.35 1udm h THR 106 CO -0.05 0.00 -1.60 -0.07 0.37 0.00 0.00 175.52 174.17 1udm h LEU 107 N 0.00 0.23 -0.72 2.58 3.38 -0.49 -3.30 115.31 116.98 1udm h LEU 107 Ca 0.00 -0.74 -0.10 0.00 0.09 0.00 0.00 57.88 57.13 1udm h LEU 107 Cb 0.19 -0.07 -0.02 0.00 0.09 0.00 0.00 40.66 40.85 1udm h LEU 107 CO 0.00 1.67 -0.14 0.58 0.09 0.00 0.00 178.44 180.64 1udm h VAL 108 N -0.46 1.26 -0.34 1.22 2.07 -1.32 -2.81 116.25 115.87 1udm h VAL 108 Ca -0.38 -1.23 -0.03 0.00 0.82 0.00 0.00 66.70 65.88 1udm h VAL 108 Cb 1.67 1.06 -0.02 0.00 -1.52 0.00 0.00 31.29 32.49 1udm h VAL 108 CO -0.05 0.42 0.07 0.50 0.02 0.00 0.00 177.57 178.53 1udm h LYS 109 N 0.75 0.50 -0.87 1.57 3.64 -1.32 -2.86 116.57 117.97 1udm h LYS 109 Ca 0.12 -0.08 0.22 0.00 -1.27 0.00 0.00 60.65 59.63 1udm h LYS 109 Cb 0.64 -0.09 -0.16 0.00 -0.41 0.00 0.00 32.23 32.22 1udm h LYS 109 CO 0.04 0.47 0.00 0.93 -2.27 0.00 0.00 179.45 178.63 1udm h GLU 110 N 0.49 0.06 -0.00 1.90 4.39 -1.57 -0.70 114.58 119.15 1udm h GLU 110 Ca 0.11 -0.00 -0.00 0.00 0.34 0.00 0.00 59.36 59.81 1udm h GLU 110 Cb 0.21 -0.01 0.00 0.00 -0.10 0.00 0.00 28.75 28.85 1udm h GLU 110 CO -0.00 0.04 -0.01 0.28 -1.16 0.00 0.00 179.01 178.16 1udm h VAL 111 N 0.06 1.49 -3.05 3.13 2.07 -1.65 -3.40 116.25 114.90 1udm h VAL 111 Ca 0.50 -1.45 -0.73 0.00 0.82 0.00 0.00 66.70 65.84 1udm h VAL 111 Cb 0.94 2.47 -0.21 0.00 -1.52 0.00 0.00 31.29 32.96 1udm h VAL 111 CO -0.80 0.38 -0.06 0.54 0.02 0.00 0.00 177.57 177.65 1udm s VAL 112 N -3.75 5.02 0.00 2.57 0.11 -0.27 -4.78 120.40 119.30 1udm s VAL 112 Ca -0.17 -1.15 0.00 0.00 -2.93 0.00 0.00 61.98 57.74 1udm s VAL 112 Cb 0.01 -4.38 0.00 0.00 -1.53 0.00 0.00 36.38 30.48 1udm s VAL 112 CO 0.68 -0.94 0.00 0.00 -3.33 0.00 0.00 175.10 171.51 1udm n GLN 113 N 5.79 3.28 0.25 1.54 10.64 -1.21 -4.57 117.38 133.10 1udm n GLN 113 Ca -0.11 0.00 0.11 0.00 -1.83 0.00 0.00 57.00 55.17 1udm n GLN 113 Cb 0.42 -1.00 0.64 0.00 -0.86 0.00 0.00 30.24 29.44 1udm n GLN 113 CO 0.00 0.00 0.00 -0.91 -1.83 0.00 0.00 177.06 174.32 1udm h ASN 114 N 0.00 0.00 -0.77 2.61 4.21 -1.92 -3.44 115.58 116.27 1udm h ASN 114 Ca 0.00 0.00 -0.01 0.00 1.21 0.00 0.00 56.30 57.50 1udm h ASN 114 Cb 0.82 0.00 0.01 0.00 -1.12 0.00 0.00 38.32 38.03 1udm h ASN 114 CO 0.00 0.16 -0.01 2.22 -1.29 0.00 0.00 177.43 178.52 1udm n PHE 115 N -3.70 -1.46 -0.01 1.19 -1.74 -1.26 -4.99 117.46 105.48 1udm n PHE 115 Ca -0.02 -0.02 -0.01 0.00 -0.56 0.00 0.00 57.45 56.84 1udm n PHE 115 Cb 0.28 -0.07 -0.00 0.00 1.52 0.00 0.00 39.48 41.21 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 -2.22 0.11 -3.64 1.98 0.00 -1.18 -4.98 120.51 110.59 1udm n ALA 116 Ca -0.01 -0.25 -0.08 0.00 0.00 0.00 0.00 53.44 53.10 1udm n ALA 116 Cb 0.02 0.00 -0.02 0.00 0.00 0.00 0.00 19.45 19.46 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 -1.28 1.36 -0.15 0.00 2.20 -1.26 -4.93 119.74 115.68 1udm s LYS 117 Ca -0.04 -0.65 -0.18 0.00 -0.36 0.00 0.00 55.97 54.75 1udm s LYS 117 Cb 0.01 0.53 -0.04 0.00 -1.51 0.00 0.00 37.83 36.81 1udm s LYS 117 CO 0.06 -0.61 0.46 -1.83 -0.36 0.00 0.00 175.35 173.07 1udm s GLU 118 N -3.62 4.28 -0.42 4.03 1.03 -1.26 -1.63 118.70 121.12 1udm s GLU 118 Ca 0.07 0.38 -0.14 0.00 0.03 0.00 0.00 54.97 55.32 1udm s GLU 118 Cb -0.03 -3.48 0.04 0.00 -0.80 0.00 0.00 34.13 29.86 1udm s GLU 118 CO -0.03 0.07 0.29 -0.06 -1.33 0.00 0.00 175.26 174.20 1udm s PHE 119 N 0.93 3.25 -0.69 4.83 0.40 0.19 -4.85 117.98 122.04 1udm s PHE 119 Ca 0.24 -0.82 -0.24 0.00 -0.60 0.00 0.00 56.93 55.51 1udm s PHE 119 Cb -0.15 -2.70 0.06 0.00 0.51 0.00 0.00 43.02 40.74 1udm s PHE 119 CO 0.09 -0.67 1.08 0.08 0.70 0.00 0.00 175.22 176.51 1udm s VAL 120 N 1.62 4.10 0.02 -0.44 1.01 -1.26 0.22 120.40 125.68 1udm s VAL 120 Ca 0.04 -0.07 0.04 0.00 0.00 0.00 0.00 61.98 61.99 1udm s VAL 120 Cb -0.20 -4.77 -0.03 0.00 0.00 0.00 0.00 36.38 31.37 1udm s VAL 120 CO 0.08 -1.60 -0.08 -0.63 0.00 0.00 0.00 175.10 172.87 1udm s ILE 121 N 4.69 3.57 -0.00 2.22 1.01 0.43 -4.94 121.20 128.17 1udm s ILE 121 Ca 0.27 -0.85 0.00 0.00 0.00 0.00 0.00 60.65 60.07 1udm s ILE 121 Cb -0.14 -2.57 -0.00 0.00 0.01 0.00 0.00 42.46 39.77 1udm s ILE 121 CO 0.12 0.36 0.00 -1.54 0.00 0.00 0.00 174.94 173.88 1udm n SER 122 N 1.45 4.59 -4.28 3.58 3.41 -1.26 -1.38 113.62 119.73 1udm n SER 122 Ca -0.15 -0.04 -0.33 0.00 -0.26 0.00 0.00 58.87 58.09 1udm n SER 122 Cb 0.52 1.00 -0.15 0.00 -0.26 0.00 0.00 64.21 65.33 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 -1.93 3.71 0.38 4.04 2.15 -1.26 -3.33 116.67 120.43 1udm s ASP 123 Ca -0.00 -0.45 0.15 0.00 0.43 0.00 0.00 52.55 52.68 1udm s ASP 123 Cb 0.00 -1.57 1.00 0.00 -0.30 0.00 0.00 42.92 42.05 1udm s ASP 123 CO 0.00 0.10 1.81 0.03 -0.17 0.00 0.00 175.17 176.93 1udm h ARG 124 N 7.22 0.49 0.00 4.34 3.08 -1.94 0.27 114.38 127.83 1udm h ARG 124 Ca -0.31 -0.03 0.00 0.00 0.07 0.00 0.00 59.98 59.71 1udm h ARG 124 Cb 1.19 -0.11 0.00 0.00 0.08 0.00 0.00 29.97 31.13 1udm h ARG 124 CO 0.56 0.32 0.46 -0.22 -1.07 0.00 0.00 179.97 180.03 1udm h LYS 125 N 0.50 0.00 0.00 0.04 1.63 -2.00 1.06 116.57 117.79 1udm h LYS 125 Ca 0.54 0.00 0.00 0.00 -0.85 0.00 0.00 60.65 60.34 1udm h LYS 125 Cb 1.21 0.00 0.00 0.00 -0.60 0.00 0.00 32.23 32.84 1udm h LYS 125 CO -0.27 0.00 -1.83 0.39 -3.45 0.00 0.00 179.45 174.29 1udm n GLU 126 N -2.55 0.59 0.18 1.90 1.02 0.93 -4.27 120.64 118.44 1udm n GLU 126 Ca -0.01 -0.17 0.13 0.00 -0.02 0.00 0.00 57.16 57.09 1udm n GLU 126 Cb 0.49 -1.45 0.60 0.00 -0.02 0.00 0.00 31.44 31.07 1udm n GLU 126 CO 0.00 0.00 0.00 -0.07 1.18 0.00 0.00 177.13 178.24 1udm h LEU 127 N 0.00 0.00 -8.39 -4.62 -0.00 0.12 -3.40 115.31 99.02 1udm h LEU 127 Ca 0.00 0.00 -0.57 0.00 -0.00 0.00 0.00 57.88 57.31 1udm h LEU 127 Cb 0.85 0.00 -0.03 0.00 -0.00 0.00 0.00 40.66 41.48 1udm h LEU 127 CO 0.00 0.00 1.57 -0.62 -0.00 0.00 0.00 178.44 179.39 1udm n GLU 128 N -2.42 0.73 -0.47 1.13 1.02 -1.17 -4.73 120.64 114.73 1udm n GLU 128 Ca 0.00 0.12 0.38 0.00 -0.02 0.00 0.00 57.16 57.64 1udm n GLU 128 Cb 0.17 -2.43 0.60 0.00 -0.02 0.00 0.00 31.44 29.76 1udm n GLU 128 CO 0.00 0.00 0.00 -1.91 1.18 0.00 0.00 177.13 176.40 1udm n GLU 129 N 8.47 -0.02 -0.07 3.49 2.13 -1.26 0.16 120.64 133.55 1udm n GLU 129 Ca 0.47 0.95 -0.08 0.00 0.66 0.00 0.00 57.16 59.17 1udm n GLU 129 Cb 0.25 -2.01 -0.01 0.00 0.27 0.00 0.00 31.44 29.94 1udm n GLU 129 CO 0.00 0.00 0.00 -0.44 -0.41 0.00 0.00 177.13 176.28 1udm h ASP 130 N 0.00 -0.02 -0.24 4.31 3.32 -1.93 -2.08 116.42 119.79 1udm h ASP 130 Ca 0.74 0.05 -0.09 0.00 0.02 0.00 0.00 57.03 57.74 1udm h ASP 130 Cb 2.65 0.07 -0.02 0.00 0.22 0.00 0.00 39.33 42.25 1udm h ASP 130 CO -0.21 0.02 -0.14 0.15 -1.72 0.00 0.00 179.24 177.34 1udm h PHE 131 N 0.13 0.72 -0.34 4.55 3.57 0.13 -3.07 116.94 122.63 1udm h PHE 131 Ca 0.12 -0.13 0.06 0.00 3.53 0.00 0.00 57.97 61.55 1udm h PHE 131 Cb 0.13 -0.18 -0.06 0.00 2.79 0.00 0.00 35.95 38.63 1udm h PHE 131 CO -0.17 0.76 -0.04 0.82 -2.23 0.00 0.00 178.31 177.45 1udm h ILE 132 N 0.59 0.71 -0.12 1.41 1.08 -1.11 -2.51 117.51 117.56 1udm h ILE 132 Ca 0.10 -0.02 0.05 0.00 -0.39 0.00 0.00 64.86 64.60 1udm h ILE 132 Cb 0.59 0.66 -0.06 0.00 -3.07 0.00 0.00 36.82 34.93 1udm h ILE 132 CO 0.04 0.01 -0.26 0.03 -0.69 0.00 0.00 178.15 177.28 1udm h ARG 133 N 0.05 -0.32 -0.99 2.37 -0.00 -1.34 -1.07 114.38 113.07 1udm h ARG 133 Ca 0.16 0.02 0.31 0.00 -0.50 0.00 0.00 59.98 59.97 1udm h ARG 133 Cb 0.24 0.07 -0.15 0.00 0.00 0.00 0.00 29.97 30.13 1udm h ARG 133 CO -0.31 -0.22 0.54 1.03 0.00 0.00 0.00 179.97 181.02 1udm h SER 134 N -0.34 0.48 0.76 7.04 0.87 -1.47 -0.60 113.55 120.30 1udm h SER 134 Ca 0.10 0.19 -0.04 0.00 -1.23 0.00 0.00 61.79 60.81 1udm h SER 134 Cb 0.48 0.14 0.01 0.00 -0.44 0.00 0.00 62.40 62.59 1udm h SER 134 CO -0.31 -0.12 -0.37 -0.33 -0.53 0.00 0.00 176.83 175.17 1udm h GLU 135 N 0.33 -0.99 -1.15 2.24 4.39 -0.99 -2.92 114.58 115.49 1udm h GLU 135 Ca 0.71 0.07 0.33 0.00 0.34 0.00 0.00 59.36 60.81 1udm h GLU 135 Cb 1.59 0.22 -0.10 0.00 -0.10 0.00 0.00 28.75 30.37 1udm h GLU 135 CO -0.60 -0.64 0.75 -0.07 -1.16 0.00 0.00 179.01 177.28 1udm h LEU 136 N -1.20 0.34 -1.19 1.33 3.38 -0.73 0.34 115.31 117.58 1udm h LEU 136 Ca -0.10 0.10 0.27 0.00 0.09 0.00 0.00 57.88 58.23 1udm h LEU 136 Cb 0.80 0.05 -0.11 0.00 0.09 0.00 0.00 40.66 41.49 1udm h LEU 136 CO 0.17 -0.01 0.64 0.50 0.09 0.00 0.00 178.44 179.83 1udm h LYS 137 N 0.26 0.44 -0.27 1.13 3.64 -1.11 0.32 116.57 120.97 1udm h LYS 137 Ca 0.67 -0.03 0.00 0.00 -1.27 0.00 0.00 60.65 60.02 1udm h LYS 137 Cb 1.93 -0.10 0.00 0.00 -0.41 0.00 0.00 32.23 33.65 1udm h LYS 137 CO -0.32 0.29 0.00 0.36 -2.27 0.00 0.00 179.45 177.51 1udm n LYS 138 N -4.76 2.83 -0.27 1.90 2.85 0.11 -4.78 118.16 116.04 1udm n LYS 138 Ca 0.27 -2.38 -0.05 0.00 -1.05 0.00 0.00 58.31 55.10 1udm n LYS 138 Cb 0.86 -1.51 -0.03 0.00 -0.65 0.00 0.00 35.03 33.69 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 -0.08 -0.30 0.00 0.58 0.00 0.11 -4.90 120.51 115.91 1udm n ALA 139 Ca 0.15 0.59 0.00 0.00 0.00 0.00 0.00 53.44 54.18 1udm n ALA 139 Cb 0.63 -0.16 0.00 0.00 0.00 0.00 0.00 19.45 19.91 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 -1.21 0.29 6.23 0.00 0.00 -1.26 -4.95 105.19 104.29 1udm n GLY 140 Ca 0.03 -2.04 0.00 0.00 0.00 0.00 0.00 46.02 44.01 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 0.04 1.67 3.74 -0.02 0.00 -1.26 -4.76 105.19 104.60 1udm n GLY 141 Ca 0.00 0.53 -0.28 0.00 0.00 0.00 0.00 46.02 46.27 1udm n GLY 141 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1udm n ALA 142 N 7.14 -1.23 -3.61 4.61 0.00 -1.26 -4.96 120.51 121.19 1udm n ALA 142 Ca 0.00 0.23 -0.12 0.00 0.00 0.00 0.00 53.44 53.55 1udm n ALA 142 Cb 0.00 -4.44 -0.07 0.00 0.00 0.00 0.00 19.45 14.93 1udm n ALA 142 CO 0.00 0.00 0.00 1.21 0.00 0.00 0.00 177.50 178.71 1udm s ASN 143 N -3.19 -0.77 -0.30 0.00 2.47 -1.26 -5.14 114.94 106.75 1udm s ASN 143 Ca 0.60 1.40 -0.04 0.00 0.42 0.00 0.00 52.86 55.25 1udm s ASN 143 Cb -0.30 1.37 0.19 0.00 -1.45 0.00 0.00 41.25 41.07 1udm s ASN 143 CO 0.74 -0.24 0.79 -0.47 -3.72 0.00 0.00 177.10 174.21 1udm s TYR 144 N 0.75 -1.22 0.00 0.43 6.14 -1.26 -5.15 117.35 117.05 1udm s TYR 144 Ca -0.03 0.96 0.00 0.00 0.64 0.00 0.00 57.07 58.64 1udm s TYR 144 Cb -0.05 0.30 0.00 0.00 0.42 0.00 0.00 41.96 42.63 1udm s TYR 144 CO -0.05 -0.69 0.00 -3.47 0.64 0.00 0.00 175.55 171.98 1udm n ASP 145 N 5.37 -3.45 -4.91 4.32 2.03 -1.26 -4.84 116.55 113.81 1udm n ASP 145 Ca 0.02 0.00 -0.20 0.00 0.52 0.00 0.00 54.79 55.13 1udm n ASP 145 Cb 0.54 -0.00 -0.02 0.00 -0.72 0.00 0.00 41.12 40.92 1udm n ASP 145 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 1udm s ALA 146 N -1.57 4.04 -0.55 -1.67 0.00 -1.26 -5.07 121.76 115.67 1udm s ALA 146 Ca 0.00 -1.64 -0.19 0.00 0.00 0.00 0.00 51.96 50.13 1udm s ALA 146 Cb 0.00 -1.32 0.08 0.00 0.00 0.00 0.00 23.12 21.87 1udm s ALA 146 CO 0.00 -0.06 0.68 -0.65 0.00 0.00 0.00 175.76 175.73 1udm s GLN 147 N -4.09 3.09 -0.02 0.00 -1.52 -1.26 -4.90 119.66 110.96 1udm s GLN 147 Ca 0.44 -1.06 -0.20 0.00 -1.95 0.00 0.00 55.36 52.59 1udm s GLN 147 Cb -0.07 -4.17 -0.32 0.00 -0.22 0.00 0.00 33.01 28.23 1udm s GLN 147 CO 0.28 -1.38 0.94 0.66 -0.25 0.00 0.00 175.29 175.55 1udm h SER 148 N 9.10 0.60 -0.01 5.90 4.64 -2.00 -3.57 113.55 128.22 1udm h SER 148 Ca -0.28 -0.93 0.00 0.00 -0.47 0.00 0.00 61.79 60.11 1udm h SER 148 Cb 1.09 -0.19 0.00 0.00 -0.31 0.00 0.00 62.40 62.99 1udm h SER 148 CO 1.03 1.49 0.00 -0.62 -0.87 0.00 0.00 176.83 177.86