#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 -1.19 -4.96 1.61 3.41 -1.26 -4.87 113.62 106.36 1udm n SER 2 Ca 0.00 0.37 -0.23 0.00 -0.26 0.00 0.00 58.87 58.76 1udm n SER 2 Cb 0.00 -1.21 0.03 0.00 -0.26 0.00 0.00 64.21 62.77 1udm n SER 2 CO 0.00 0.00 0.00 -1.83 -0.16 0.00 0.00 175.04 173.05 1udm s GLU 3 N -4.40 2.79 -0.22 4.33 1.03 -1.26 -5.06 118.70 115.92 1udm s GLU 3 Ca 0.00 -0.56 -0.16 0.00 0.03 0.00 0.00 54.97 54.27 1udm s GLU 3 Cb 0.00 -2.49 -0.12 0.00 -0.80 0.00 0.00 34.13 30.72 1udm s GLU 3 CO 0.00 -0.54 -0.13 0.41 -1.33 0.00 0.00 175.26 173.67 1udm n GLY 4 N -2.27 -0.69 6.98 -3.83 0.00 -1.26 -4.86 105.19 99.25 1udm n GLY 4 Ca 0.05 -0.08 0.00 0.00 0.00 0.00 0.00 46.02 45.99 1udm n GLY 4 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1udm n ALA 5 N -3.88 -0.01 -2.50 4.61 0.00 -1.26 -4.77 120.51 112.70 1udm n ALA 5 Ca -0.32 0.00 -0.24 0.00 0.00 0.00 0.00 53.44 52.88 1udm n ALA 5 Cb 0.65 -0.00 -0.00 0.00 0.00 0.00 0.00 19.45 20.10 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 -1.53 3.69 -0.43 0.00 0.00 -1.26 -5.00 121.76 117.23 1udm s ALA 6 Ca 0.00 -0.92 0.11 0.00 0.00 0.00 0.00 51.96 51.14 1udm s ALA 6 Cb 0.00 -2.17 0.62 0.00 0.00 0.00 0.00 23.12 21.57 1udm s ALA 6 CO 0.00 -0.18 1.45 0.25 0.00 0.00 0.00 175.76 177.28 1udm n THR 7 N -1.94 2.09 -0.08 0.00 -2.24 -1.26 -4.30 114.28 106.56 1udm n THR 7 Ca -0.02 -1.06 -0.15 0.00 -2.27 0.00 0.00 64.05 60.56 1udm n THR 7 Cb 0.57 -0.33 -0.11 0.00 -2.10 0.00 0.00 70.33 68.35 1udm n THR 7 CO 0.00 0.00 0.00 -0.03 -0.57 0.00 0.00 175.07 174.47 1udm h MET 8 N 3.03 0.00 -6.41 -0.78 -1.53 -2.00 -3.47 114.93 103.76 1udm h MET 8 Ca 0.00 0.00 -0.45 0.00 -3.44 0.00 0.00 59.70 55.81 1udm h MET 8 Cb 1.62 0.00 0.01 0.00 -0.55 0.00 0.00 31.60 32.68 1udm h MET 8 CO 0.37 0.89 -0.25 0.00 0.14 0.00 0.00 176.91 178.06 1udm s ALA 9 N -2.30 4.47 0.02 0.39 0.00 -1.26 -5.14 121.76 117.95 1udm s ALA 9 Ca -0.20 -1.78 -0.01 0.00 0.00 0.00 0.00 51.96 49.97 1udm s ALA 9 Cb -0.00 -1.45 -0.02 0.00 0.00 0.00 0.00 23.12 21.65 1udm s ALA 9 CO 0.60 -0.38 -0.01 0.99 0.00 0.00 0.00 175.76 176.95 1udm s THR 10 N -2.45 0.13 0.28 0.00 2.01 -1.26 -4.97 115.64 109.38 1udm s THR 10 Ca 0.54 -1.04 0.04 0.00 0.31 0.00 0.00 61.69 61.54 1udm s THR 10 Cb -0.08 -0.50 -0.06 0.00 0.01 0.00 0.00 72.50 71.87 1udm s THR 10 CO 0.33 -0.57 0.01 -0.54 -0.69 0.00 0.00 174.62 173.15 1udm s LYS 11 N -1.90 1.53 0.03 4.92 -0.14 -1.15 -5.05 119.74 117.98 1udm s LYS 11 Ca -0.12 -1.81 0.02 0.00 -1.36 0.00 0.00 55.97 52.71 1udm s LYS 11 Cb -0.07 -0.86 -0.02 0.00 -1.68 0.00 0.00 37.83 35.20 1udm s LYS 11 CO -0.02 -0.10 -0.08 -1.50 -0.76 0.00 0.00 175.35 172.89 1udm s ILE 12 N -3.26 0.57 -0.07 2.17 2.07 -1.26 -0.02 121.20 121.40 1udm s ILE 12 Ca 0.32 -0.79 -0.03 0.00 -1.41 0.00 0.00 60.65 58.74 1udm s ILE 12 Cb 0.06 -0.58 -0.10 0.00 0.13 0.00 0.00 42.46 41.98 1udm s ILE 12 CO 0.12 -0.17 2.81 0.47 -1.91 0.00 0.00 174.94 176.26 1udm n ASP 13 N 2.00 5.50 -0.07 4.50 9.92 -0.01 -4.71 116.55 133.67 1udm n ASP 13 Ca -0.19 -2.57 0.03 0.00 -0.53 0.00 0.00 54.79 51.53 1udm n ASP 13 Cb 0.56 -1.26 0.06 0.00 -0.64 0.00 0.00 41.12 39.84 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 1.80 -0.01 0.41 -1.24 5.02 -1.26 0.23 118.16 123.10 1udm n LYS 14 Ca 0.26 0.29 -0.19 0.00 -2.02 0.00 0.00 58.31 56.65 1udm n LYS 14 Cb 0.70 -0.46 -0.10 0.00 -0.02 0.00 0.00 35.03 35.15 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 -1.11 -0.15 1.97 5.08 -1.99 0.32 114.58 118.70 1udm h GLU 15 Ca 0.12 0.08 -0.09 0.00 -1.00 0.00 0.00 59.36 58.47 1udm h GLU 15 Cb 0.27 0.25 -0.01 0.00 0.50 0.00 0.00 28.75 29.76 1udm h GLU 15 CO -0.18 -0.74 -0.31 0.00 -1.00 0.00 0.00 179.01 176.78 1udm h ALA 16 N -1.05 1.19 0.34 3.43 0.00 0.25 -3.18 119.26 120.23 1udm h ALA 16 Ca -0.10 -0.35 -0.02 0.00 0.00 0.00 0.00 54.91 54.45 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 0.08 0.53 -0.16 0.00 0.00 0.00 0.00 179.25 179.70 1udm h ARG 18 N -0.67 0.25 0.18 0.00 2.43 -0.34 0.17 114.38 116.40 1udm h ARG 18 Ca -0.05 -0.02 -0.01 0.00 -0.81 0.00 0.00 59.98 59.10 1udm h ARG 18 Cb 0.47 -0.06 0.00 0.00 -0.42 0.00 0.00 29.97 29.97 1udm h ARG 18 CO 0.08 0.17 -0.09 0.00 -1.51 0.00 0.00 179.97 178.62 1udm h ALA 19 N 1.64 -0.24 -0.23 2.80 0.00 -1.52 -1.29 119.26 120.41 1udm h ALA 19 Ca 0.70 -0.08 -0.01 0.00 0.00 0.00 0.00 54.91 55.52 1udm h ALA 19 Cb 1.96 0.09 -0.01 0.00 0.00 0.00 0.00 17.79 19.83 1udm h ALA 19 CO -0.38 -0.60 0.10 0.00 0.00 0.00 0.00 179.25 178.36 1udm h ALA 20 N 0.50 0.30 0.00 0.00 0.00 -0.68 0.12 119.26 119.50 1udm h ALA 20 Ca -0.02 -0.11 0.00 0.00 0.00 0.00 0.00 54.91 54.77 1udm h ALA 20 Cb 0.24 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 17.94 1udm h ALA 20 CO 0.04 -0.11 0.00 -0.92 0.00 0.00 0.00 179.25 178.26 1udm h TYR 21 N 0.23 0.00 0.06 0.00 3.20 -1.01 -2.51 116.97 116.93 1udm h TYR 21 Ca 0.08 0.00 -0.33 0.00 3.14 0.00 0.00 58.73 61.62 1udm h TYR 21 Cb 0.17 0.00 -0.03 0.00 1.54 0.00 0.00 36.73 38.41 1udm h TYR 21 CO -0.01 0.00 -1.82 0.09 -1.64 0.00 0.00 178.16 174.78 1udm n ASN 22 N -3.04 2.00 0.29 -2.11 3.02 -0.49 -2.57 115.26 112.36 1udm n ASN 22 Ca -0.03 0.27 0.09 0.00 -0.03 0.00 0.00 54.58 54.88 1udm n ASN 22 Cb 0.08 -0.86 0.48 0.00 -0.61 0.00 0.00 39.78 38.88 1udm n ASN 22 CO 0.00 0.00 0.00 -0.07 -2.62 0.00 0.00 177.26 174.57 1udm h LEU 23 N -0.42 0.00 0.00 3.41 -0.00 -0.33 0.45 115.31 118.43 1udm h LEU 23 Ca -0.43 0.00 -0.21 0.00 -0.00 0.00 0.00 57.88 57.24 1udm h LEU 23 Cb 1.72 0.00 -0.04 0.00 -0.00 0.00 0.00 40.66 42.34 1udm h LEU 23 CO -0.08 0.00 -1.79 0.55 -0.00 0.00 0.00 178.44 177.12 1udm n VAL 24 N -2.56 0.79 0.15 1.22 3.14 -1.18 -4.01 118.33 115.89 1udm n VAL 24 Ca -0.01 -0.41 -0.00 0.00 -2.96 0.00 0.00 64.34 60.96 1udm n VAL 24 Cb 0.54 -0.83 0.24 0.00 -1.06 0.00 0.00 33.84 32.72 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 0.01 -7.26 1.45 2.43 -0.54 -3.45 114.38 107.02 1udm h ARG 25 Ca -0.31 -0.00 -0.43 0.00 -0.81 0.00 0.00 59.98 58.42 1udm h ARG 25 Cb 1.61 0.00 0.19 0.00 -0.42 0.00 0.00 29.97 31.35 1udm h ARG 25 CO -0.01 0.53 0.09 0.34 -1.51 0.00 0.00 179.97 179.41 1udm s ASP 26 N -6.88 1.44 -0.16 -3.80 2.15 0.13 -4.97 116.67 104.59 1udm s ASP 26 Ca -0.02 1.20 0.17 0.00 0.43 0.00 0.00 52.55 54.34 1udm s ASP 26 Cb 0.13 -1.86 0.43 0.00 -0.30 0.00 0.00 42.92 41.32 1udm s ASP 26 CO 0.75 -3.87 1.31 -0.90 -0.17 0.00 0.00 175.17 172.29 1udm n ASP 27 N -4.67 3.27 0.00 -0.34 5.75 -1.26 -4.51 116.55 114.80 1udm n ASP 27 Ca 0.05 -3.02 0.00 0.00 -0.01 0.00 0.00 54.79 51.81 1udm n ASP 27 Cb 0.57 -0.49 0.00 0.00 -1.03 0.00 0.00 41.12 40.17 1udm n ASP 27 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1udm n GLY 28 N -0.84 0.01 3.35 6.12 0.00 -1.26 -5.01 105.19 107.55 1udm n GLY 28 Ca 0.19 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.82 1udm n GLY 28 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1udm s SER 29 N -0.01 5.51 0.66 1.61 0.01 -1.26 -4.94 113.70 115.28 1udm s SER 29 Ca 0.00 -0.96 0.15 0.00 1.31 0.00 0.00 55.95 56.45 1udm s SER 29 Cb 0.00 -1.96 0.82 0.00 0.21 0.00 0.00 66.02 65.09 1udm s SER 29 CO 0.00 -0.33 1.46 0.00 0.41 0.00 0.00 173.24 174.78 1udm h ALA 30 N 8.34 1.66 -2.58 1.44 0.00 -1.95 -3.41 119.26 122.76 1udm h ALA 30 Ca -0.26 0.00 -0.52 0.00 0.00 0.00 0.00 54.91 54.13 1udm h ALA 30 Cb 1.10 0.00 0.05 0.00 0.00 0.00 0.00 17.79 18.94 1udm h ALA 30 CO 0.63 -0.66 1.05 0.08 0.00 0.00 0.00 179.25 180.35 1udm s VAL 31 N -4.03 2.34 -0.00 0.00 1.01 -1.26 -4.11 120.40 114.36 1udm s VAL 31 Ca -0.02 0.08 0.00 0.00 0.00 0.00 0.00 61.98 62.04 1udm s VAL 31 Cb 0.04 -3.05 -0.00 0.00 0.00 0.00 0.00 36.38 33.37 1udm s VAL 31 CO 0.14 0.00 0.00 2.30 0.00 0.00 0.00 175.10 177.54 1udm n ILE 32 N 4.36 0.00 -3.84 2.22 -5.35 -1.02 -4.09 119.36 111.64 1udm n ILE 32 Ca 0.17 -0.35 -0.12 0.00 -0.27 0.00 0.00 62.75 62.17 1udm n ILE 32 Cb 0.37 0.85 -0.13 0.00 -1.74 0.00 0.00 39.64 38.99 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 -1.30 -0.09 -0.06 4.28 1.48 -1.01 -0.98 118.94 121.26 1udm s TRP 33 Ca 0.00 0.21 -0.02 0.00 -1.06 0.00 0.00 56.10 55.23 1udm s TRP 33 Cb 0.00 0.02 0.04 0.00 -1.16 0.00 0.00 33.47 32.37 1udm s TRP 33 CO 0.00 -0.07 0.12 0.14 -4.06 0.00 0.00 176.95 173.08 1udm s VAL 34 N -0.08 -0.07 0.17 -0.66 -7.23 -0.73 -2.82 120.40 108.97 1udm s VAL 34 Ca -0.01 0.21 0.01 0.00 -1.81 0.00 0.00 61.98 60.38 1udm s VAL 34 Cb -0.01 -0.21 -0.04 0.00 0.56 0.00 0.00 36.38 36.68 1udm s VAL 34 CO 0.00 0.09 0.32 0.42 -0.31 0.00 0.00 175.10 175.62 1udm s THR 35 N 1.27 5.28 -0.33 5.32 -4.23 -1.14 0.24 115.64 122.05 1udm s THR 35 Ca -0.08 -0.56 -0.00 0.00 -1.18 0.00 0.00 61.69 59.87 1udm s THR 35 Cb -0.12 -3.74 0.11 0.00 1.34 0.00 0.00 72.50 70.09 1udm s THR 35 CO -0.05 -0.12 0.14 -0.36 -0.54 0.00 0.00 174.62 173.68 1udm s PHE 36 N -1.79 1.55 0.51 3.99 0.40 0.51 0.40 117.98 123.55 1udm s PHE 36 Ca 0.36 -1.77 0.07 0.00 -0.60 0.00 0.00 56.93 54.98 1udm s PHE 36 Cb -0.11 -1.61 0.04 0.00 0.51 0.00 0.00 43.02 41.86 1udm s PHE 36 CO 0.29 -0.85 0.70 -0.98 0.70 0.00 0.00 175.22 175.07 1udm s ARG 37 N 1.39 2.55 0.02 0.44 1.70 0.30 -2.50 118.95 122.84 1udm s ARG 37 Ca 0.12 -1.26 -0.12 0.00 -0.47 0.00 0.00 55.73 54.00 1udm s ARG 37 Cb -0.19 -2.65 -0.06 0.00 -0.57 0.00 0.00 34.95 31.49 1udm s ARG 37 CO -0.19 -0.60 0.39 0.71 -1.08 0.00 0.00 175.30 174.52 1udm s TYR 38 N -2.57 3.67 -0.74 5.89 1.51 -1.26 0.37 117.35 124.22 1udm s TYR 38 Ca 0.58 0.89 0.13 0.00 -1.01 0.00 0.00 57.07 57.67 1udm s TYR 38 Cb -0.09 -2.22 0.41 0.00 -0.11 0.00 0.00 41.96 39.96 1udm s TYR 38 CO 0.36 0.61 1.34 -3.47 -1.11 0.00 0.00 175.55 173.28 1udm n ASP 39 N 1.51 3.38 0.00 2.29 2.03 -0.93 -4.90 116.55 119.94 1udm n ASP 39 Ca -0.12 -2.34 0.00 0.00 0.52 0.00 0.00 54.79 52.84 1udm n ASP 39 Cb 0.52 -0.36 0.00 0.00 -0.72 0.00 0.00 41.12 40.57 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 0.28 0.80 0.02 0.27 0.00 -1.26 -4.83 105.19 100.46 1udm n GLY 40 Ca 0.16 -0.19 0.02 0.00 0.00 0.00 0.00 46.02 46.01 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 2.05 -3.33 4.61 0.00 -1.26 -5.02 120.51 117.57 1udm n ALA 41 Ca 0.00 -1.33 -0.14 0.00 0.00 0.00 0.00 53.44 51.98 1udm n ALA 41 Cb 0.00 -0.08 -0.09 0.00 0.00 0.00 0.00 19.45 19.28 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 -1.37 0.01 0.45 0.00 2.01 -1.26 -2.92 115.64 112.56 1udm s THR 42 Ca 0.07 -0.09 -0.23 0.00 0.31 0.00 0.00 61.69 61.75 1udm s THR 42 Cb 0.06 -0.64 -0.08 0.00 0.01 0.00 0.00 72.50 71.85 1udm s THR 42 CO 0.01 -0.05 1.14 -0.63 -0.69 0.00 0.00 174.62 174.40 1udm s ILE 43 N -0.15 3.23 -0.14 1.82 1.01 0.97 -2.18 121.20 125.76 1udm s ILE 43 Ca -0.03 0.93 -0.19 0.00 0.00 0.00 0.00 60.65 61.35 1udm s ILE 43 Cb -0.03 -3.47 0.05 0.00 0.01 0.00 0.00 42.46 39.01 1udm s ILE 43 CO 0.02 -0.01 0.51 0.68 0.00 0.00 0.00 174.94 176.14 1udm s VAL 44 N -1.57 0.01 -0.08 2.92 -7.23 0.16 -0.83 120.40 113.77 1udm s VAL 44 Ca 0.62 -0.08 -0.36 0.00 -1.81 0.00 0.00 61.98 60.35 1udm s VAL 44 Cb -0.27 -0.75 -0.14 0.00 0.56 0.00 0.00 36.38 35.78 1udm s VAL 44 CO 0.33 -0.05 1.72 -2.65 -0.31 0.00 0.00 175.10 174.14 1udm n PRO 45 N 2.23 1.72 0.00 4.82 -0.02 -1.26 -0.54 135.00 141.95 1udm n PRO 45 Ca -0.16 0.63 0.00 0.00 -2.02 0.00 0.00 63.50 61.95 1udm n PRO 45 Cb 0.56 -2.39 0.00 0.00 -0.02 0.00 0.00 33.50 31.66 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 3.93 1.40 4.00 -1.23 0.00 0.16 -4.72 105.19 108.74 1udm n GLY 46 Ca 0.22 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 46.01 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 4.24 -0.29 1.61 1.11 -1.26 -4.93 116.67 116.16 1udm s ASP 47 Ca 0.00 -0.53 -0.22 0.00 0.18 0.00 0.00 52.55 51.97 1udm s ASP 47 Cb 0.00 0.25 0.14 0.00 1.07 0.00 0.00 42.92 44.38 1udm s ASP 47 CO 0.00 -1.95 1.06 -1.58 1.18 0.00 0.00 175.17 173.87 1udm s GLN 48 N -5.15 0.42 0.00 8.23 0.74 -1.26 -2.87 119.66 119.77 1udm s GLN 48 Ca 0.68 0.56 0.00 0.00 0.05 0.00 0.00 55.36 56.65 1udm s GLN 48 Cb -0.04 0.17 0.00 0.00 1.10 0.00 0.00 33.01 34.24 1udm s GLN 48 CO 0.45 -0.06 0.00 0.41 -0.55 0.00 0.00 175.29 175.54 1udm n GLY 49 N 2.61 0.25 0.07 2.59 0.00 -1.13 -5.02 105.19 104.56 1udm n GLY 49 Ca -0.14 -0.93 0.01 0.00 0.00 0.00 0.00 46.02 44.96 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 -0.21 2.09 -2.57 4.61 0.00 -1.26 -2.42 120.51 120.75 1udm n ALA 50 Ca 0.00 -0.75 -0.42 0.00 0.00 0.00 0.00 53.44 52.27 1udm n ALA 50 Cb 0.00 -0.68 -0.02 0.00 0.00 0.00 0.00 19.45 18.74 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 -5.32 6.42 0.55 0.00 -1.08 -1.26 -4.52 116.67 111.46 1udm s ASP 51 Ca -0.06 0.08 0.27 0.00 -0.52 0.00 0.00 52.55 52.31 1udm s ASP 51 Cb 0.09 -2.55 1.45 0.00 -1.46 0.00 0.00 42.92 40.45 1udm s ASP 51 CO 0.84 -1.52 1.97 0.22 0.52 0.00 0.00 175.17 177.21 1udm h TYR 52 N 9.63 0.00 0.00 -5.34 5.03 -1.99 0.41 116.97 124.71 1udm h TYR 52 Ca -0.25 0.00 -0.00 0.00 2.58 0.00 0.00 58.73 61.05 1udm h TYR 52 Cb 1.06 0.00 -0.00 0.00 1.55 0.00 0.00 36.73 39.34 1udm h TYR 52 CO 1.04 0.00 -0.02 1.96 -1.32 0.00 0.00 178.16 179.83 1udm h GLN 53 N 0.00 0.00 0.00 1.82 1.08 -2.00 -1.72 115.11 114.29 1udm h GLN 53 Ca 0.25 0.00 -0.15 0.00 -1.45 0.00 0.00 58.65 57.31 1udm h GLN 53 Cb 1.09 0.00 -0.02 0.00 -0.05 0.00 0.00 27.48 28.50 1udm h GLN 53 CO -0.00 0.02 -0.82 0.45 -0.95 0.00 0.00 178.83 177.52 1udm h HIS 54 N 0.00 0.00 0.08 2.96 3.86 -0.57 -3.19 115.15 118.29 1udm h HIS 54 Ca -0.00 0.00 -0.18 0.00 -1.16 0.00 0.00 60.37 59.03 1udm h HIS 54 Cb 0.27 0.00 0.02 0.00 1.06 0.00 0.00 27.41 28.76 1udm h HIS 54 CO 0.00 0.64 -0.77 0.35 0.86 0.00 0.00 177.93 179.02 1udm h PHE 55 N 0.00 0.62 0.00 2.45 3.57 -1.33 -3.22 116.94 119.03 1udm h PHE 55 Ca -0.05 -0.39 0.00 0.00 3.53 0.00 0.00 57.97 61.06 1udm h PHE 55 Cb 1.53 -0.05 0.00 0.00 2.79 0.00 0.00 35.95 40.22 1udm h PHE 55 CO 0.00 1.26 0.00 0.82 -2.23 0.00 0.00 178.31 178.16 1udm h ILE 56 N -0.19 0.00 -0.05 1.41 2.04 -1.57 -1.24 117.51 117.91 1udm h ILE 56 Ca -0.12 -0.24 0.00 0.00 1.00 0.00 0.00 64.86 65.50 1udm h ILE 56 Cb 1.53 1.09 0.00 0.00 -0.74 0.00 0.00 36.82 38.70 1udm h ILE 56 CO 0.15 0.00 0.00 0.00 0.00 0.00 0.00 178.15 178.30 1udm n GLN 57 N -2.74 1.35 -0.06 2.37 1.13 -1.20 -3.65 117.38 114.57 1udm n GLN 57 Ca -0.00 -0.52 -0.07 0.00 -1.94 0.00 0.00 57.00 54.46 1udm n GLN 57 Cb 0.19 -1.40 -0.08 0.00 0.11 0.00 0.00 30.24 29.06 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 -0.30 1.50 -2.46 -1.09 1.13 -0.47 -4.94 117.38 110.74 1udm n GLN 58 Ca 0.18 0.03 -0.43 0.00 -1.94 0.00 0.00 57.00 54.83 1udm n GLN 58 Cb 0.21 -1.30 -0.02 0.00 0.11 0.00 0.00 30.24 29.24 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 4.19 0.55 -2.00 0.00 -4.23 -1.26 -4.94 115.64 107.94 1udm s THR 60 Ca 0.54 -2.00 0.12 0.00 -1.18 0.00 0.00 61.69 59.17 1udm s THR 60 Cb -0.16 -2.52 0.34 0.00 1.34 0.00 0.00 72.50 71.50 1udm s THR 60 CO 0.21 0.00 1.29 0.47 -0.54 0.00 0.00 174.62 176.05 1udm n ASP 61 N -0.97 0.00 -0.09 3.99 9.92 -1.26 -2.46 116.55 125.69 1udm n ASP 61 Ca -0.01 -1.17 0.09 0.00 -0.53 0.00 0.00 54.79 53.17 1udm n ASP 61 Cb 0.65 0.00 0.13 0.00 -0.64 0.00 0.00 41.12 41.26 1udm n ASP 61 CO 0.00 0.00 0.00 -0.67 0.13 0.00 0.00 177.20 176.66 1udm n ASP 62 N -0.74 2.21 -3.56 -2.24 2.03 -1.26 -3.31 116.55 109.68 1udm n ASP 62 Ca 0.09 -2.97 -0.16 0.00 0.52 0.00 0.00 54.79 52.27 1udm n ASP 62 Cb 0.04 -0.40 -0.06 0.00 -0.72 0.00 0.00 41.12 39.99 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 -2.63 0.01 -0.10 5.18 0.11 -1.03 -5.02 120.40 116.93 1udm s VAL 63 Ca 0.29 -0.12 -0.04 0.00 -2.93 0.00 0.00 61.98 59.18 1udm s VAL 63 Cb 0.25 -0.94 0.05 0.00 -1.53 0.00 0.00 36.38 34.21 1udm s VAL 63 CO 0.03 -0.06 0.20 0.00 -3.33 0.00 0.00 175.10 171.93 1udm s ARG 64 N -1.66 0.11 0.29 1.54 3.03 -1.26 -1.21 118.95 119.78 1udm s ARG 64 Ca -0.09 0.56 -0.20 0.00 2.03 0.00 0.00 55.73 58.03 1udm s ARG 64 Cb -0.01 -0.16 0.03 0.00 -1.03 0.00 0.00 34.95 33.78 1udm s ARG 64 CO 0.05 -0.24 0.76 -0.48 -1.13 0.00 0.00 175.30 174.25 1udm s LEU 65 N 1.89 -0.21 0.51 -1.89 -0.00 -0.26 -4.72 118.68 113.99 1udm s LEU 65 Ca -0.02 -0.68 -0.03 0.00 -0.00 0.00 0.00 54.13 53.39 1udm s LEU 65 Cb -0.12 2.69 -0.01 0.00 -0.00 0.00 0.00 46.19 48.76 1udm s LEU 65 CO -0.07 -1.36 0.78 -0.36 -0.00 0.00 0.00 176.35 175.33 1udm s PHE 66 N -3.59 3.31 -0.23 3.48 0.40 -1.04 0.67 117.98 120.99 1udm s PHE 66 Ca 0.12 0.51 -0.03 0.00 -0.60 0.00 0.00 56.93 56.93 1udm s PHE 66 Cb -0.05 -2.46 0.12 0.00 0.51 0.00 0.00 43.02 41.14 1udm s PHE 66 CO 0.07 -0.50 0.36 0.00 0.70 0.00 0.00 175.22 175.85 1udm s ALA 67 N -2.75 -0.98 -0.54 5.36 0.00 0.17 -0.36 121.76 122.67 1udm s ALA 67 Ca 0.50 0.90 -0.20 0.00 0.00 0.00 0.00 51.96 53.16 1udm s ALA 67 Cb -0.10 -1.56 0.06 0.00 0.00 0.00 0.00 23.12 21.52 1udm s ALA 67 CO 0.42 -1.17 0.72 0.12 0.00 0.00 0.00 175.76 175.85 1udm s PHE 68 N 2.52 2.97 -0.03 0.00 2.19 0.14 0.28 117.98 126.05 1udm s PHE 68 Ca 0.10 -0.50 0.01 0.00 0.33 0.00 0.00 56.93 56.87 1udm s PHE 68 Cb -0.15 -3.75 -0.03 0.00 -1.31 0.00 0.00 43.02 37.78 1udm s PHE 68 CO -0.15 -1.17 -0.03 0.08 1.83 0.00 0.00 175.22 175.79 1udm s VAL 69 N 2.98 4.00 -0.28 3.12 1.01 -1.13 -1.77 120.40 128.33 1udm s VAL 69 Ca 0.18 -0.53 -0.16 0.00 0.00 0.00 0.00 61.98 61.47 1udm s VAL 69 Cb -0.18 -2.72 -0.03 0.00 0.00 0.00 0.00 36.38 33.44 1udm s VAL 69 CO 0.12 0.48 0.45 -0.60 0.00 0.00 0.00 175.10 175.55 1udm s ARG 70 N -1.22 3.96 -0.08 2.72 3.52 -0.15 -2.62 118.95 125.07 1udm s ARG 70 Ca 0.16 0.10 0.01 0.00 -0.13 0.00 0.00 55.73 55.87 1udm s ARG 70 Cb -0.11 -3.68 -0.03 0.00 -1.56 0.00 0.00 34.95 29.57 1udm s ARG 70 CO 0.06 -0.37 -0.10 -0.06 -0.81 0.00 0.00 175.30 174.02 1udm s PHE 71 N 2.20 2.84 -0.28 5.12 0.40 -1.26 -4.93 117.98 122.08 1udm s PHE 71 Ca 0.18 -0.20 0.01 0.00 -0.60 0.00 0.00 56.93 56.31 1udm s PHE 71 Cb -0.16 -1.73 0.08 0.00 0.51 0.00 0.00 43.02 41.72 1udm s PHE 71 CO 0.10 0.14 0.01 0.95 0.70 0.00 0.00 175.22 177.12 1udm s THR 72 N -0.44 1.47 0.04 0.64 -4.23 -1.26 -3.17 115.64 108.68 1udm s THR 72 Ca 0.06 -1.48 0.08 0.00 -1.18 0.00 0.00 61.69 59.17 1udm s THR 72 Cb -0.12 -1.92 -0.03 0.00 1.34 0.00 0.00 72.50 71.78 1udm s THR 72 CO 0.02 -0.37 -0.22 0.28 -0.54 0.00 0.00 174.62 173.79 1udm s THR 73 N 1.37 1.80 -0.30 3.99 -1.32 -1.26 -5.05 115.64 114.86 1udm s THR 73 Ca 0.02 -1.22 -0.10 0.00 -1.21 0.00 0.00 61.69 59.18 1udm s THR 73 Cb -0.18 -1.55 0.14 0.00 -1.51 0.00 0.00 72.50 69.40 1udm s THR 73 CO -0.12 0.28 0.70 -0.83 -2.21 0.00 0.00 174.62 172.45 1udm s GLY 74 N -1.12 -0.66 -0.16 6.08 0.00 -1.25 -4.37 107.32 105.84 1udm s GLY 74 Ca 0.09 2.43 -0.14 0.00 0.00 0.00 0.00 44.72 47.10 1udm s GLY 74 CO 0.02 3.13 0.02 -0.55 0.00 0.00 0.00 173.10 175.71 1udm h ASP 75 N 7.92 0.00 -2.69 1.64 5.19 -2.01 -3.48 116.42 122.99 1udm h ASP 75 Ca -0.18 -0.23 -0.09 0.00 -0.62 0.00 0.00 57.03 55.91 1udm h ASP 75 Cb 1.11 0.00 -0.27 0.00 0.18 0.00 0.00 39.33 40.35 1udm h ASP 75 CO 0.11 1.03 -0.34 0.00 -3.12 0.00 0.00 179.24 176.92 1udm s ALA 76 N -2.56 -1.17 -1.57 3.45 0.00 -1.26 -4.91 121.76 113.74 1udm s ALA 76 Ca -0.19 1.55 -0.13 0.00 0.00 0.00 0.00 51.96 53.19 1udm s ALA 76 Cb 0.03 -1.24 0.10 0.00 0.00 0.00 0.00 23.12 22.01 1udm s ALA 76 CO 0.36 -0.63 0.81 -0.12 0.00 0.00 0.00 175.76 176.19 1udm n MET 77 N 5.09 -4.24 -3.34 0.00 0.00 -1.26 -4.94 117.12 108.43 1udm n MET 77 Ca -0.12 0.48 -0.09 0.00 -0.00 0.00 0.00 57.70 57.97 1udm n MET 77 Cb 0.51 -5.18 -0.07 0.00 0.00 0.00 0.00 33.22 28.47 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 -3.51 0.28 -0.28 6.12 0.15 -1.26 -5.11 113.70 110.09 1udm s SER 78 Ca 0.57 0.09 -0.02 0.00 0.70 0.00 0.00 55.95 57.29 1udm s SER 78 Cb -0.30 1.12 0.12 0.00 -1.71 0.00 0.00 66.02 65.26 1udm s SER 78 CO 0.88 -0.31 0.25 -0.75 1.20 0.00 0.00 173.24 174.51 1udm s LYS 79 N 2.55 0.28 -0.03 5.44 2.47 -1.26 -3.78 119.74 125.41 1udm s LYS 79 Ca 0.12 -0.18 -0.22 0.00 -1.56 0.00 0.00 55.97 54.13 1udm s LYS 79 Cb -0.15 -0.82 0.04 0.00 -1.46 0.00 0.00 37.83 35.45 1udm s LYS 79 CO -0.19 -0.98 0.48 0.50 0.16 0.00 0.00 175.35 175.31 1udm s ARG 80 N 2.31 0.85 -0.01 4.03 3.52 -1.26 -5.09 118.95 123.29 1udm s ARG 80 Ca 0.09 0.01 -0.29 0.00 -0.13 0.00 0.00 55.73 55.42 1udm s ARG 80 Cb -0.15 0.39 -0.03 0.00 -1.56 0.00 0.00 34.95 33.60 1udm s ARG 80 CO -0.31 -0.25 0.93 -1.54 -0.81 0.00 0.00 175.30 173.31 1udm s SER 81 N -1.27 7.30 -0.13 -2.12 1.04 -1.26 -4.43 113.70 112.84 1udm s SER 81 Ca -0.12 1.58 0.01 0.00 0.48 0.00 0.00 55.95 57.89 1udm s SER 81 Cb -0.03 -2.54 -0.08 0.00 0.10 0.00 0.00 66.02 63.46 1udm s SER 81 CO 0.07 -0.23 -0.12 0.29 0.98 0.00 0.00 173.24 174.23 1udm n LYS 82 N 3.85 0.33 -0.71 4.02 4.01 -1.19 -5.00 118.16 123.47 1udm n LYS 82 Ca 0.05 0.08 0.10 0.00 -0.51 0.00 0.00 58.31 58.02 1udm n LYS 82 Cb 0.51 -1.25 -0.02 0.00 -0.51 0.00 0.00 35.03 33.75 1udm n LYS 82 CO 0.00 0.00 0.00 1.19 -1.11 0.00 0.00 177.40 177.48 1udm n PHE 83 N -2.91 -2.71 -3.65 2.13 3.72 -1.26 -0.80 117.46 111.98 1udm n PHE 83 Ca -0.23 0.88 0.01 0.00 -0.05 0.00 0.00 57.45 58.05 1udm n PHE 83 Cb 0.75 -1.57 -0.06 0.00 -0.94 0.00 0.00 39.48 37.65 1udm n PHE 83 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 1udm s ALA 84 N -1.77 -2.53 -0.84 4.37 0.00 -1.08 -3.14 121.76 116.77 1udm s ALA 84 Ca 0.00 1.83 -0.22 0.00 0.00 0.00 0.00 51.96 53.57 1udm s ALA 84 Cb 0.00 -1.94 0.08 0.00 0.00 0.00 0.00 23.12 21.26 1udm s ALA 84 CO 0.00 -0.22 1.16 -1.17 0.00 0.00 0.00 175.76 175.53 1udm s LEU 85 N 0.59 4.28 -0.65 0.00 2.96 -0.52 -2.83 118.68 122.51 1udm s LEU 85 Ca -0.01 -1.38 -0.27 0.00 -0.22 0.00 0.00 54.13 52.24 1udm s LEU 85 Cb -0.03 -2.46 0.02 0.00 0.50 0.00 0.00 46.19 44.22 1udm s LEU 85 CO -0.12 -1.38 1.35 -0.63 -1.32 0.00 0.00 176.35 174.25 1udm s ILE 86 N 3.99 3.77 -0.67 6.68 1.01 0.14 0.14 121.20 136.26 1udm s ILE 86 Ca 0.32 0.57 -0.23 0.00 0.00 0.00 0.00 60.65 61.31 1udm s ILE 86 Cb -0.08 -4.66 0.06 0.00 0.01 0.00 0.00 42.46 37.79 1udm s ILE 86 CO -0.00 -1.48 1.01 -0.89 0.00 0.00 0.00 174.94 173.58 1udm s THR 87 N 5.94 4.23 0.26 2.92 2.01 0.35 0.45 115.64 131.81 1udm s THR 87 Ca 0.44 -0.25 -0.23 0.00 0.31 0.00 0.00 61.69 61.96 1udm s THR 87 Cb -0.09 -4.72 -0.09 0.00 0.01 0.00 0.00 72.50 67.61 1udm s THR 87 CO 0.20 -1.52 0.83 0.86 -0.69 0.00 0.00 174.62 174.31 1udm s TRP 88 N 4.31 3.69 -0.29 4.92 -0.11 0.21 -1.38 118.94 130.29 1udm s TRP 88 Ca 0.24 1.60 0.02 0.00 1.22 0.00 0.00 56.10 59.17 1udm s TRP 88 Cb -0.15 -2.77 0.16 0.00 -1.50 0.00 0.00 33.47 29.20 1udm s TRP 88 CO 0.11 0.29 0.39 0.42 -4.62 0.00 0.00 176.95 173.54 1udm s ILE 89 N -1.53 -0.59 0.05 5.86 1.01 -0.84 -1.10 121.20 124.05 1udm s ILE 89 Ca 0.46 -0.34 -0.25 0.00 0.00 0.00 0.00 60.65 60.53 1udm s ILE 89 Cb -0.18 -0.99 -0.13 0.00 0.01 0.00 0.00 42.46 41.17 1udm s ILE 89 CO 0.23 -0.32 0.60 0.61 0.00 0.00 0.00 174.94 176.06 1udm n GLY 90 N 5.34 -0.57 0.00 6.18 0.00 -0.35 -4.49 105.19 111.31 1udm n GLY 90 Ca 0.00 0.42 0.02 0.00 0.00 0.00 0.00 46.02 46.46 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 0.91 0.87 -0.02 1.61 2.13 -1.24 -2.86 120.64 122.03 1udm n GLU 91 Ca 0.13 0.00 -0.01 0.00 0.66 0.00 0.00 57.16 57.94 1udm n GLU 91 Cb 0.10 -1.08 -0.05 0.00 0.27 0.00 0.00 31.44 30.69 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 -0.58 3.61 -4.56 4.31 2.03 -1.21 -5.04 116.55 115.12 1udm n ASP 92 Ca 0.03 0.00 -0.40 0.00 0.52 0.00 0.00 54.79 54.94 1udm n ASP 92 Cb 0.01 0.79 0.02 0.00 -0.72 0.00 0.00 41.12 41.23 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 -2.09 2.47 -2.13 5.18 0.24 -1.14 -4.91 118.33 115.97 1udm n VAL 93 Ca -0.07 -0.50 -0.38 0.00 -2.04 0.00 0.00 64.34 61.35 1udm n VAL 93 Cb 0.56 -0.95 0.00 0.00 -1.47 0.00 0.00 33.84 31.97 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 -0.93 5.98 0.22 -1.34 0.15 -1.26 -4.83 113.70 111.69 1udm s SER 94 Ca 0.66 2.45 -0.08 0.00 0.70 0.00 0.00 55.95 59.68 1udm s SER 94 Cb -0.53 -2.61 0.34 0.00 -1.71 0.00 0.00 66.02 61.51 1udm s SER 94 CO 0.55 -1.06 1.26 0.61 1.20 0.00 0.00 173.24 175.80 1udm n GLY 95 N 0.54 -1.41 0.16 9.45 0.00 -1.26 -0.95 105.19 111.72 1udm n GLY 95 Ca 0.08 0.87 -0.04 0.00 0.00 0.00 0.00 46.02 46.92 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 -0.71 -0.97 0.99 6.46 -1.97 0.65 115.31 119.76 1udm h LEU 96 Ca 0.37 0.10 0.27 0.00 -0.12 0.00 0.00 57.88 58.50 1udm h LEU 96 Cb 0.57 0.30 -0.18 0.00 -0.73 0.00 0.00 40.66 40.62 1udm h LEU 96 CO -0.83 -0.12 0.05 1.56 -0.62 0.00 0.00 178.44 178.49 1udm h GLN 97 N -0.08 0.02 -0.14 1.25 4.20 -1.40 1.40 115.11 120.36 1udm h GLN 97 Ca 0.04 -0.00 -0.13 0.00 0.06 0.00 0.00 58.65 58.62 1udm h GLN 97 Cb 0.18 -0.00 -0.01 0.00 0.30 0.00 0.00 27.48 27.95 1udm h GLN 97 CO -0.27 0.01 -0.46 -0.09 -0.67 0.00 0.00 178.83 177.36 1udm h ARG 98 N 0.02 0.35 0.00 1.46 2.43 -0.74 -1.11 114.38 116.79 1udm h ARG 98 Ca 0.60 -0.19 0.00 0.00 -0.81 0.00 0.00 59.98 59.58 1udm h ARG 98 Cb 1.24 0.01 0.00 0.00 -0.42 0.00 0.00 29.97 30.80 1udm h ARG 98 CO -0.90 0.74 0.00 0.00 -1.51 0.00 0.00 179.97 178.30 1udm h ALA 99 N 1.24 1.00 0.04 2.80 0.00 0.74 -3.10 119.26 121.98 1udm h ALA 99 Ca 0.02 0.00 -0.36 0.00 0.00 0.00 0.00 54.91 54.57 1udm h ALA 99 Cb 0.92 0.00 -0.05 0.00 0.00 0.00 0.00 17.79 18.65 1udm h ALA 99 CO 0.08 0.00 -2.18 1.63 0.00 0.00 0.00 179.25 178.77 1udm n LYS 100 N -2.54 0.69 -0.30 0.00 4.76 0.52 -3.93 118.16 117.36 1udm n LYS 100 Ca 0.03 0.18 0.00 0.00 -2.87 0.00 0.00 58.31 55.65 1udm n LYS 100 Cb 0.32 -1.62 0.19 0.00 -1.84 0.00 0.00 35.03 32.08 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 0.02 1.19 -0.17 -0.18 2.02 -1.16 -0.45 112.91 114.17 1udm h THR 101 Ca -0.48 -0.39 -0.15 0.00 0.77 0.00 0.00 66.41 66.16 1udm h THR 101 Cb 2.03 -0.06 -0.01 0.00 -1.74 0.00 0.00 68.15 68.37 1udm h THR 101 CO 0.02 0.21 -0.53 1.23 0.37 0.00 0.00 175.52 176.81 1udm h GLY 102 N 1.15 0.54 1.71 2.16 0.00 -1.73 -2.81 103.07 104.10 1udm h GLY 102 Ca 0.34 -0.62 -0.16 0.00 0.00 0.00 0.00 47.33 46.89 1udm h GLY 102 CO -0.09 0.56 -0.64 -0.84 0.00 0.00 0.00 176.54 175.53 1udm h THR 103 N 0.39 1.39 -0.17 4.70 2.02 -1.53 -2.81 112.91 116.89 1udm h THR 103 Ca 0.01 -2.05 0.00 0.00 0.77 0.00 0.00 66.41 65.14 1udm h THR 103 Cb 1.06 2.04 0.00 0.00 -1.74 0.00 0.00 68.15 69.51 1udm h THR 103 CO 0.10 0.61 0.00 0.47 0.37 0.00 0.00 175.52 177.07 1udm n ASP 104 N -3.85 1.10 0.08 4.18 8.00 -0.23 -3.73 116.55 122.09 1udm n ASP 104 Ca -0.03 -1.86 -0.10 0.00 0.71 0.00 0.00 54.79 53.52 1udm n ASP 104 Cb 0.65 -0.12 -0.05 0.00 -0.02 0.00 0.00 41.12 41.59 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 1.28 0.19 -0.04 -1.24 3.11 -1.23 -3.16 116.57 115.48 1udm h LYS 105 Ca 0.00 -0.24 0.01 0.00 -2.81 0.00 0.00 60.65 57.61 1udm h LYS 105 Cb 0.29 0.08 -0.00 0.00 -1.00 0.00 0.00 32.23 31.59 1udm h LYS 105 CO 0.00 1.01 0.09 1.15 -2.81 0.00 0.00 179.45 178.89 1udm h THR 106 N 0.09 0.24 0.00 1.00 2.02 -1.75 -1.88 112.91 112.65 1udm h THR 106 Ca -0.06 0.00 -0.00 0.00 0.77 0.00 0.00 66.41 67.12 1udm h THR 106 Cb 1.62 0.92 0.00 0.00 -1.74 0.00 0.00 68.15 68.95 1udm h THR 106 CO 0.15 0.00 -0.02 -0.07 0.37 0.00 0.00 175.52 175.95 1udm h LEU 107 N 0.00 0.01 -1.53 2.58 4.07 -1.82 -3.16 115.31 115.47 1udm h LEU 107 Ca 0.02 -0.87 0.00 0.00 0.08 0.00 0.00 57.88 57.12 1udm h LEU 107 Cb 0.20 -0.00 -0.02 0.00 1.08 0.00 0.00 40.66 41.92 1udm h LEU 107 CO -0.00 0.88 0.29 0.58 -1.08 0.00 0.00 178.44 179.11 1udm h VAL 108 N -0.85 1.12 -0.46 1.22 2.07 -1.50 -1.78 116.25 116.08 1udm h VAL 108 Ca -0.00 -0.24 -0.05 0.00 0.82 0.00 0.00 66.70 67.23 1udm h VAL 108 Cb 0.88 0.46 -0.02 0.00 -1.52 0.00 0.00 31.29 31.09 1udm h VAL 108 CO 0.00 0.12 0.09 0.50 0.02 0.00 0.00 177.57 178.31 1udm h LYS 109 N 0.63 0.70 -0.84 1.57 3.11 -1.45 -2.26 116.57 118.03 1udm h LYS 109 Ca 0.17 -0.14 0.21 0.00 -2.81 0.00 0.00 60.65 58.08 1udm h LYS 109 Cb -0.05 -0.11 -0.14 0.00 -1.00 0.00 0.00 32.23 30.92 1udm h LYS 109 CO -0.03 0.65 0.11 0.93 -2.81 0.00 0.00 179.45 178.30 1udm h GLU 110 N 0.68 0.13 0.09 1.90 4.39 -1.28 0.53 114.58 121.02 1udm h GLU 110 Ca 0.15 -0.01 -0.28 0.00 0.34 0.00 0.00 59.36 59.56 1udm h GLU 110 Cb 0.28 -0.03 -0.01 0.00 -0.10 0.00 0.00 28.75 28.89 1udm h GLU 110 CO 0.00 0.09 -1.36 0.28 -1.16 0.00 0.00 179.01 176.85 1udm h VAL 111 N 0.14 1.33 -3.03 3.13 2.07 -1.62 -3.42 116.25 114.85 1udm h VAL 111 Ca 0.50 -2.98 -0.74 0.00 0.82 0.00 0.00 66.70 64.30 1udm h VAL 111 Cb 0.97 2.80 -0.22 0.00 -1.52 0.00 0.00 31.29 33.31 1udm h VAL 111 CO -0.70 0.84 -0.08 -0.69 0.02 0.00 0.00 177.57 176.97 1udm s VAL 112 N -2.64 5.06 0.00 2.57 1.01 0.18 -4.76 120.40 121.82 1udm s VAL 112 Ca -0.05 -1.33 0.00 0.00 0.00 0.00 0.00 61.98 60.60 1udm s VAL 112 Cb 0.08 -4.40 0.00 0.00 0.00 0.00 0.00 36.38 32.05 1udm s VAL 112 CO 0.85 -0.98 0.00 0.00 0.00 0.00 0.00 175.10 174.98 1udm n GLN 113 N 5.65 1.19 0.28 2.72 6.02 -1.24 -4.55 117.38 127.44 1udm n GLN 113 Ca -0.11 0.00 0.15 0.00 -0.01 0.00 0.00 57.00 57.03 1udm n GLN 113 Cb 0.41 -0.88 0.78 0.00 1.02 0.00 0.00 30.24 31.58 1udm n GLN 113 CO 0.00 0.00 0.00 -0.91 -1.01 0.00 0.00 177.06 175.14 1udm h ASN 114 N 0.00 0.00 -1.05 1.08 2.35 -1.93 -3.44 115.58 112.59 1udm h ASN 114 Ca 0.00 0.00 -0.04 0.00 -0.55 0.00 0.00 56.30 55.71 1udm h ASN 114 Cb 0.76 0.00 0.02 0.00 0.05 0.00 0.00 38.32 39.15 1udm h ASN 114 CO 0.00 0.08 -0.02 2.22 -1.65 0.00 0.00 177.43 178.06 1udm n PHE 115 N -3.39 -1.88 -0.04 1.19 -1.74 -1.26 -4.89 117.46 105.46 1udm n PHE 115 Ca -0.01 -0.07 -0.04 0.00 -0.56 0.00 0.00 57.45 56.77 1udm n PHE 115 Cb 0.24 -0.15 -0.01 0.00 1.52 0.00 0.00 39.48 41.08 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 -2.85 0.35 -3.54 1.98 0.00 0.02 -4.91 120.51 111.55 1udm n ALA 116 Ca -0.02 -0.46 -0.10 0.00 0.00 0.00 0.00 53.44 52.86 1udm n ALA 116 Cb 0.06 0.01 -0.02 0.00 0.00 0.00 0.00 19.45 19.50 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 -1.77 1.35 -0.18 0.00 2.20 -1.26 -5.02 119.74 115.07 1udm s LYS 117 Ca -0.11 -0.58 -0.22 0.00 -0.36 0.00 0.00 55.97 54.69 1udm s LYS 117 Cb 0.02 0.57 -0.02 0.00 -1.51 0.00 0.00 37.83 36.88 1udm s LYS 117 CO 0.17 -0.60 0.69 -1.83 -0.36 0.00 0.00 175.35 173.42 1udm s GLU 118 N -3.72 4.26 -0.46 4.03 1.03 -1.26 -1.44 118.70 121.14 1udm s GLU 118 Ca 0.04 0.76 -0.16 0.00 0.03 0.00 0.00 54.97 55.64 1udm s GLU 118 Cb -0.02 -3.56 0.06 0.00 -0.80 0.00 0.00 34.13 29.80 1udm s GLU 118 CO -0.08 -0.24 0.40 -0.06 -1.33 0.00 0.00 175.26 173.96 1udm s PHE 119 N 1.88 3.22 -0.65 4.83 0.40 0.36 -4.89 117.98 123.14 1udm s PHE 119 Ca 0.32 -0.78 -0.24 0.00 -0.60 0.00 0.00 56.93 55.64 1udm s PHE 119 Cb -0.16 -3.06 0.06 0.00 0.51 0.00 0.00 43.02 40.36 1udm s PHE 119 CO 0.11 -0.77 1.01 0.08 0.70 0.00 0.00 175.22 176.36 1udm s VAL 120 N 1.78 4.23 0.01 -0.44 1.01 -1.26 0.13 120.40 125.86 1udm s VAL 120 Ca 0.06 -0.09 0.04 0.00 0.00 0.00 0.00 61.98 61.99 1udm s VAL 120 Cb -0.22 -4.70 -0.03 0.00 0.00 0.00 0.00 36.38 31.43 1udm s VAL 120 CO 0.08 -1.46 -0.10 -0.63 0.00 0.00 0.00 175.10 173.00 1udm s ILE 121 N 4.33 3.38 -0.00 2.22 1.01 -0.48 -4.95 121.20 126.72 1udm s ILE 121 Ca 0.26 -0.88 0.01 0.00 0.00 0.00 0.00 60.65 60.04 1udm s ILE 121 Cb -0.14 -2.45 -0.01 0.00 0.01 0.00 0.00 42.46 39.86 1udm s ILE 121 CO 0.13 0.39 0.02 -1.20 0.00 0.00 0.00 174.94 174.28 1udm n SER 122 N 1.59 4.79 -4.35 3.58 7.64 -1.26 -1.99 113.62 123.62 1udm n SER 122 Ca -0.16 -0.00 -0.33 0.00 1.01 0.00 0.00 58.87 59.39 1udm n SER 122 Cb 0.52 1.04 -0.15 0.00 -1.01 0.00 0.00 64.21 64.61 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 -2.08 3.95 0.33 6.43 -1.08 -1.26 -3.68 116.67 119.28 1udm s ASP 123 Ca -0.00 -0.36 0.07 0.00 -0.52 0.00 0.00 52.55 51.74 1udm s ASP 123 Cb 0.00 -1.61 0.76 0.00 -1.46 0.00 0.00 42.92 40.62 1udm s ASP 123 CO 0.03 0.14 1.84 0.03 0.52 0.00 0.00 175.17 177.73 1udm h ARG 124 N 6.86 0.74 0.00 4.34 3.08 -1.94 0.18 114.38 127.64 1udm h ARG 124 Ca -0.27 -0.04 0.00 0.00 0.07 0.00 0.00 59.98 59.73 1udm h ARG 124 Cb 1.21 -0.17 0.00 0.00 0.08 0.00 0.00 29.97 31.09 1udm h ARG 124 CO 0.56 0.49 0.35 0.87 -1.07 0.00 0.00 179.97 181.17 1udm h LYS 125 N 0.76 0.00 0.00 0.04 1.79 -2.01 0.95 116.57 118.10 1udm h LYS 125 Ca 0.50 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.97 1udm h LYS 125 Cb 0.75 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.40 1udm h LYS 125 CO -0.26 0.00 -1.85 0.39 -1.08 0.00 0.00 179.45 176.65 1udm n GLU 126 N -2.32 0.60 0.10 3.15 1.02 0.63 -4.24 120.64 119.58 1udm n GLU 126 Ca -0.01 -0.17 0.10 0.00 -0.02 0.00 0.00 57.16 57.05 1udm n GLU 126 Cb 0.38 -1.47 0.44 0.00 -0.02 0.00 0.00 31.44 30.77 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 -2.15 0.47 -4.51 -4.62 7.99 0.33 -4.58 117.00 109.92 1udm n LEU 127 Ca -0.03 0.65 -0.40 0.00 -0.01 0.00 0.00 56.01 56.21 1udm n LEU 127 Cb 0.51 -0.62 -0.08 0.00 -0.11 0.00 0.00 43.42 43.11 1udm n LEU 127 CO 0.42 -0.60 2.07 -0.62 -1.51 0.00 0.00 177.39 177.15 1udm n GLU 128 N -2.05 0.65 -0.23 3.23 1.02 -1.20 -4.74 120.64 117.32 1udm n GLU 128 Ca 0.01 0.04 0.20 0.00 -0.02 0.00 0.00 57.16 57.39 1udm n GLU 128 Cb 0.15 -2.56 0.38 0.00 -0.02 0.00 0.00 31.44 29.39 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 8.69 -0.04 -0.16 3.49 2.13 -1.26 0.18 120.64 133.66 1udm n GLU 129 Ca 0.49 0.99 -0.02 0.00 0.66 0.00 0.00 57.16 59.27 1udm n GLU 129 Cb 0.30 -1.73 0.06 0.00 0.27 0.00 0.00 31.44 30.34 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 -0.30 -0.41 4.31 3.32 -1.94 0.43 116.42 121.83 1udm h ASP 130 Ca 0.57 0.13 -0.03 0.00 0.02 0.00 0.00 57.03 57.72 1udm h ASP 130 Cb 1.45 0.25 -0.02 0.00 0.22 0.00 0.00 39.33 41.22 1udm h ASP 130 CO -0.56 -0.11 0.16 0.15 -1.72 0.00 0.00 179.24 177.16 1udm h PHE 131 N 0.08 0.68 -0.51 4.55 3.57 0.16 -2.68 116.94 122.79 1udm h PHE 131 Ca 0.25 -0.04 -0.01 0.00 3.53 0.00 0.00 57.97 61.71 1udm h PHE 131 Cb 0.39 -0.21 -0.02 0.00 2.79 0.00 0.00 35.95 38.90 1udm h PHE 131 CO -0.35 0.55 0.29 0.82 -2.23 0.00 0.00 178.31 177.39 1udm h ILE 132 N 0.67 1.16 0.13 1.41 1.08 -0.73 -3.10 117.51 118.14 1udm h ILE 132 Ca 0.16 -0.39 0.02 0.00 -0.39 0.00 0.00 64.86 64.25 1udm h ILE 132 Cb 0.18 0.50 -0.05 0.00 -3.07 0.00 0.00 36.82 34.38 1udm h ILE 132 CO -0.01 0.17 -0.46 0.03 -0.69 0.00 0.00 178.15 177.19 1udm h ARG 133 N 0.68 -0.67 -0.99 2.37 2.47 -0.95 -1.41 114.38 115.88 1udm h ARG 133 Ca 0.18 0.05 0.36 0.00 -1.26 0.00 0.00 59.98 59.30 1udm h ARG 133 Cb 0.02 0.15 -0.17 0.00 -1.65 0.00 0.00 29.97 28.32 1udm h ARG 133 CO -0.03 -0.45 0.39 1.03 0.56 0.00 0.00 179.97 181.47 1udm h SER 134 N -0.70 0.12 0.30 7.04 0.87 -1.50 0.44 113.55 120.12 1udm h SER 134 Ca 0.01 0.25 -0.01 0.00 -1.23 0.00 0.00 61.79 60.81 1udm h SER 134 Cb 0.72 0.31 0.00 0.00 -0.44 0.00 0.00 62.40 62.99 1udm h SER 134 CO -0.26 -0.36 -0.15 -0.33 -0.53 0.00 0.00 176.83 175.21 1udm h GLU 135 N 0.06 -0.39 -0.31 2.24 4.39 -1.25 -2.80 114.58 116.52 1udm h GLU 135 Ca 0.75 0.03 -0.04 0.00 0.34 0.00 0.00 59.36 60.44 1udm h GLU 135 Cb 1.83 0.09 -0.02 0.00 -0.10 0.00 0.00 28.75 30.56 1udm h GLU 135 CO -0.78 -0.21 0.03 -0.07 -1.16 0.00 0.00 179.01 176.82 1udm h LEU 136 N -0.48 0.42 -0.91 1.33 3.38 0.04 0.28 115.31 119.38 1udm h LEU 136 Ca -0.04 -0.06 0.19 0.00 0.09 0.00 0.00 57.88 58.06 1udm h LEU 136 Cb 0.36 -0.11 -0.11 0.00 0.09 0.00 0.00 40.66 40.89 1udm h LEU 136 CO 0.07 0.46 0.46 0.11 0.09 0.00 0.00 178.44 179.63 1udm h LYS 137 N 0.45 0.54 0.04 1.13 1.57 -0.15 -2.88 116.57 117.27 1udm h LYS 137 Ca 0.10 -0.03 -0.38 0.00 -1.87 0.00 0.00 60.65 58.47 1udm h LYS 137 Cb 0.24 -0.12 -0.05 0.00 0.08 0.00 0.00 32.23 32.38 1udm h LYS 137 CO 0.00 0.36 -2.23 0.36 -0.57 0.00 0.00 179.45 177.37 1udm n LYS 138 N -4.92 0.67 -3.64 3.15 2.85 -1.00 -5.02 118.16 110.25 1udm n LYS 138 Ca 0.21 0.24 -0.20 0.00 -1.05 0.00 0.00 58.31 57.50 1udm n LYS 138 Cb 0.57 -1.60 0.04 0.00 -0.65 0.00 0.00 35.03 33.40 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 -3.32 -2.02 -1.43 0.58 0.00 0.96 -4.83 120.51 110.45 1udm n ALA 139 Ca -0.41 -0.14 -0.50 0.00 0.00 0.00 0.00 53.44 52.38 1udm n ALA 139 Cb 0.97 -2.04 -0.04 0.00 0.00 0.00 0.00 19.45 18.34 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 -1.48 -1.38 2.89 0.00 0.00 -1.26 -4.52 105.19 99.44 1udm n GLY 140 Ca -0.30 0.42 -0.51 0.00 0.00 0.00 0.00 46.02 45.63 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 1.88 -0.17 3.16 -0.02 0.00 -1.26 -4.90 105.19 103.88 1udm n GLY 141 Ca 0.18 0.99 -0.28 0.00 0.00 0.00 0.00 46.02 46.91 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 5.63 1.76 -0.38 4.61 0.00 -1.26 -5.07 121.76 127.04 1udm s ALA 142 Ca 1.08 -0.78 -0.36 0.00 0.00 0.00 0.00 51.96 51.90 1udm s ALA 142 Cb -1.30 -0.62 -0.12 0.00 0.00 0.00 0.00 23.12 21.09 1udm s ALA 142 CO 0.56 0.28 2.20 -1.71 0.00 0.00 0.00 175.76 177.10 1udm n ASN 143 N 3.29 1.97 -3.73 0.00 2.85 -1.26 -4.91 115.26 113.48 1udm n ASN 143 Ca -0.19 0.40 -0.12 0.00 -0.11 0.00 0.00 54.58 54.56 1udm n ASN 143 Cb 0.53 -1.23 -0.11 0.00 1.24 0.00 0.00 39.78 40.20 1udm n ASN 143 CO 0.00 0.00 0.00 -0.72 -2.11 0.00 0.00 177.26 174.43 1udm s TYR 144 N 7.38 -0.46 0.07 1.20 -0.85 -1.26 -5.11 117.35 118.32 1udm s TYR 144 Ca 1.11 1.07 0.06 0.00 -0.52 0.00 0.00 57.07 58.79 1udm s TYR 144 Cb -0.90 0.17 -0.04 0.00 0.38 0.00 0.00 41.96 41.57 1udm s TYR 144 CO 0.50 -0.25 -0.10 0.34 -1.52 0.00 0.00 175.55 174.52 1udm s ASP 145 N 0.71 4.42 -0.06 -0.18 2.15 -1.26 -5.13 116.67 117.31 1udm s ASP 145 Ca -0.04 -0.33 -0.21 0.00 0.43 0.00 0.00 52.55 52.40 1udm s ASP 145 Cb -0.05 -0.89 0.05 0.00 -0.30 0.00 0.00 42.92 41.73 1udm s ASP 145 CO -0.05 0.21 0.48 0.00 -0.17 0.00 0.00 175.17 175.64 1udm s ALA 146 N -1.14 -1.23 -0.06 3.66 0.00 -1.26 -5.08 121.76 116.64 1udm s ALA 146 Ca 0.20 0.89 0.02 0.00 0.00 0.00 0.00 51.96 53.07 1udm s ALA 146 Cb -0.11 -0.12 0.01 0.00 0.00 0.00 0.00 23.12 22.91 1udm s ALA 146 CO 0.12 -0.30 -0.12 -1.14 0.00 0.00 0.00 175.76 174.32 1udm s GLN 147 N -0.99 1.61 0.26 0.00 0.74 -1.26 -5.03 119.66 115.00 1udm s GLN 147 Ca -0.10 -0.39 -0.09 0.00 0.05 0.00 0.00 55.36 54.83 1udm s GLN 147 Cb -0.03 -1.35 0.41 0.00 1.10 0.00 0.00 33.01 33.14 1udm s GLN 147 CO 0.06 0.02 1.51 -1.13 -0.55 0.00 0.00 175.29 175.19 1udm n SER 148 N 3.82 -0.39 0.00 6.67 3.41 -1.26 -5.23 113.62 120.64 1udm n SER 148 Ca -0.23 1.67 0.00 0.00 -0.26 0.00 0.00 58.87 60.04 1udm n SER 148 Cb 0.52 -0.48 0.00 0.00 -0.26 0.00 0.00 64.21 63.98 1udm n SER 148 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26