#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 -3.52 -0.03 1.61 7.64 -1.26 -4.90 113.62 113.16 1udm n SER 2 Ca 0.00 -0.88 -0.03 0.00 1.01 0.00 0.00 58.87 58.97 1udm n SER 2 Cb 0.00 -3.43 -0.02 0.00 -1.01 0.00 0.00 64.21 59.74 1udm n SER 2 CO 0.00 0.00 0.00 -0.33 -3.01 0.00 0.00 175.04 171.70 1udm h GLU 3 N -1.85 -0.04 0.00 1.43 5.08 -2.04 -3.50 114.58 113.66 1udm h GLU 3 Ca -0.59 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 57.77 1udm h GLU 3 Cb 1.38 0.01 0.00 0.00 0.50 0.00 0.00 28.75 30.64 1udm h GLU 3 CO 0.69 0.11 0.00 0.41 -1.00 0.00 0.00 179.01 179.23 1udm n GLY 4 N 1.64 -1.69 3.89 -3.84 0.00 -1.26 -5.15 105.19 98.77 1udm n GLY 4 Ca -0.02 0.60 -0.29 0.00 0.00 0.00 0.00 46.02 46.30 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 0.00 2.93 -0.20 4.61 0.00 -1.26 -5.01 121.76 122.83 1udm s ALA 5 Ca 0.00 -0.44 -0.29 0.00 0.00 0.00 0.00 51.96 51.23 1udm s ALA 5 Cb 0.00 -2.95 -0.00 0.00 0.00 0.00 0.00 23.12 20.17 1udm s ALA 5 CO 0.00 -1.15 1.17 0.00 0.00 0.00 0.00 175.76 175.77 1udm s ALA 6 N -3.33 3.66 0.07 0.00 0.00 -1.26 -5.01 121.76 115.89 1udm s ALA 6 Ca 0.58 0.31 0.08 0.00 0.00 0.00 0.00 51.96 52.93 1udm s ALA 6 Cb -0.11 -3.60 -0.04 0.00 0.00 0.00 0.00 23.12 19.38 1udm s ALA 6 CO 0.50 -1.16 -0.17 0.95 0.00 0.00 0.00 175.76 175.89 1udm s THR 7 N 3.42 2.89 -0.09 0.00 -4.23 -1.26 -5.13 115.64 111.24 1udm s THR 7 Ca 0.50 -1.29 -0.04 0.00 -1.18 0.00 0.00 61.69 59.67 1udm s THR 7 Cb -0.18 -2.27 -0.04 0.00 1.34 0.00 0.00 72.50 71.35 1udm s THR 7 CO 0.11 0.23 0.09 -0.32 -0.54 0.00 0.00 174.62 174.20 1udm s MET 8 N -1.76 3.26 0.09 3.99 -2.45 -1.26 -5.09 119.30 116.07 1udm s MET 8 Ca 0.16 -0.26 -0.27 0.00 -1.25 0.00 0.00 55.69 54.07 1udm s MET 8 Cb -0.11 -3.03 0.08 0.00 1.25 0.00 0.00 34.83 33.03 1udm s MET 8 CO 0.08 0.74 1.03 0.00 1.05 0.00 0.00 175.02 177.92 1udm s ALA 9 N -1.02 -1.82 -0.17 4.11 0.00 -1.26 -5.18 121.76 116.42 1udm s ALA 9 Ca 0.16 0.41 -0.27 0.00 0.00 0.00 0.00 51.96 52.26 1udm s ALA 9 Cb -0.12 0.53 0.07 0.00 0.00 0.00 0.00 23.12 23.60 1udm s ALA 9 CO 0.05 -0.99 0.69 0.99 0.00 0.00 0.00 175.76 176.50 1udm s THR 10 N -3.05 0.00 0.37 0.00 2.01 -1.26 -4.88 115.64 108.83 1udm s THR 10 Ca 0.12 -0.01 0.07 0.00 0.31 0.00 0.00 61.69 62.18 1udm s THR 10 Cb 0.00 -0.98 -0.02 0.00 0.01 0.00 0.00 72.50 71.50 1udm s THR 10 CO -0.01 -0.00 0.24 -0.54 -0.69 0.00 0.00 174.62 173.62 1udm s LYS 11 N -0.29 1.88 -0.01 4.92 1.02 -0.66 -5.01 119.74 121.59 1udm s LYS 11 Ca -0.05 -2.12 -0.04 0.00 0.02 0.00 0.00 55.97 53.78 1udm s LYS 11 Cb -0.03 0.01 0.00 0.00 -0.52 0.00 0.00 37.83 37.29 1udm s LYS 11 CO 0.05 -0.63 0.08 -1.50 -0.92 0.00 0.00 175.35 172.43 1udm s ILE 12 N -3.31 0.05 -0.19 2.17 2.07 -1.26 -1.16 121.20 119.57 1udm s ILE 12 Ca 0.34 -0.42 -0.02 0.00 -1.41 0.00 0.00 60.65 59.14 1udm s ILE 12 Cb 0.02 -0.26 0.04 0.00 0.13 0.00 0.00 42.46 42.39 1udm s ILE 12 CO 0.24 -0.23 2.41 0.47 -1.91 0.00 0.00 174.94 175.92 1udm n ASP 13 N 2.22 5.92 -0.06 4.50 9.92 0.68 -4.73 116.55 135.01 1udm n ASP 13 Ca -0.18 -2.79 0.02 0.00 -0.53 0.00 0.00 54.79 51.31 1udm n ASP 13 Cb 0.57 -1.17 0.04 0.00 -0.64 0.00 0.00 41.12 39.93 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 1.16 -0.01 0.38 -1.24 5.02 -1.26 0.23 118.16 122.43 1udm n LYS 14 Ca 0.26 0.24 -0.19 0.00 -2.02 0.00 0.00 58.31 56.60 1udm n LYS 14 Cb 0.61 -0.38 -0.10 0.00 -0.02 0.00 0.00 35.03 35.14 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 -1.08 -0.18 1.97 5.08 -1.98 0.32 114.58 118.70 1udm h GLU 15 Ca 0.10 0.07 -0.08 0.00 -1.00 0.00 0.00 59.36 58.45 1udm h GLU 15 Cb 0.19 0.25 -0.01 0.00 0.50 0.00 0.00 28.75 29.68 1udm h GLU 15 CO -0.15 -0.72 -0.26 0.00 -1.00 0.00 0.00 179.01 176.88 1udm h ALA 16 N -1.10 1.23 0.31 3.43 0.00 0.24 -3.15 119.26 120.22 1udm h ALA 16 Ca -0.09 -0.32 -0.01 0.00 0.00 0.00 0.00 54.91 54.48 1udm h ALA 16 Cb 0.92 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 18.61 1udm h ALA 16 CO 0.05 0.51 -0.15 0.00 0.00 0.00 0.00 179.25 179.66 1udm h ARG 18 N -0.60 0.38 0.03 0.00 9.65 -0.33 0.17 114.38 123.68 1udm h ARG 18 Ca -0.04 -0.02 -0.00 0.00 -1.10 0.00 0.00 59.98 58.81 1udm h ARG 18 Cb 0.43 -0.09 0.00 0.00 -1.39 0.00 0.00 29.97 28.93 1udm h ARG 18 CO 0.07 0.25 -0.02 0.00 2.80 0.00 0.00 179.97 183.07 1udm h ALA 19 N 1.76 -0.05 -0.63 2.80 0.00 -1.51 -1.08 119.26 120.55 1udm h ALA 19 Ca 0.70 -0.07 -0.04 0.00 0.00 0.00 0.00 54.91 55.50 1udm h ALA 19 Cb 1.60 0.02 -0.03 0.00 0.00 0.00 0.00 17.79 19.38 1udm h ALA 19 CO -0.50 -0.47 0.24 0.00 0.00 0.00 0.00 179.25 178.52 1udm h ALA 20 N 0.80 0.82 0.00 0.00 0.00 -0.61 0.17 119.26 120.43 1udm h ALA 20 Ca -0.00 -0.18 0.00 0.00 0.00 0.00 0.00 54.91 54.72 1udm h ALA 20 Cb 0.15 -0.25 0.00 0.00 0.00 0.00 0.00 17.79 17.70 1udm h ALA 20 CO 0.01 0.45 0.00 -0.92 0.00 0.00 0.00 179.25 178.79 1udm h TYR 21 N 0.89 0.00 0.05 0.00 3.20 -0.71 -3.04 116.97 117.35 1udm h TYR 21 Ca 0.21 0.00 -0.33 0.00 3.14 0.00 0.00 58.73 61.75 1udm h TYR 21 Cb 0.23 0.00 -0.04 0.00 1.54 0.00 0.00 36.73 38.46 1udm h TYR 21 CO 0.01 0.00 -1.85 0.09 -1.64 0.00 0.00 178.16 174.77 1udm n ASN 22 N -2.89 1.99 0.23 -2.11 3.02 -0.42 -2.45 115.26 112.62 1udm n ASN 22 Ca -0.00 0.27 0.09 0.00 -0.03 0.00 0.00 54.58 54.90 1udm n ASN 22 Cb 0.22 -0.85 0.46 0.00 -0.61 0.00 0.00 39.78 39.00 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 -0.48 0.00 0.00 3.41 -0.00 -0.58 0.35 115.31 118.01 1udm h LEU 23 Ca -0.45 0.00 -0.20 0.00 -0.00 0.00 0.00 57.88 57.23 1udm h LEU 23 Cb 1.69 0.00 -0.04 0.00 -0.00 0.00 0.00 40.66 42.32 1udm h LEU 23 CO -0.11 0.00 -1.76 0.55 -0.00 0.00 0.00 178.44 177.12 1udm n VAL 24 N -2.33 0.76 0.09 1.22 3.14 -1.21 -4.03 118.33 115.98 1udm n VAL 24 Ca -0.01 -0.32 -0.01 0.00 -2.96 0.00 0.00 64.34 61.05 1udm n VAL 24 Cb 0.41 -0.94 0.28 0.00 -1.06 0.00 0.00 33.84 32.53 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 0.28 -7.22 1.45 2.43 -0.78 -3.45 114.38 107.09 1udm h ARG 25 Ca -0.30 -0.10 -0.43 0.00 -0.81 0.00 0.00 59.98 58.34 1udm h ARG 25 Cb 1.49 -0.02 0.20 0.00 -0.42 0.00 0.00 29.97 31.22 1udm h ARG 25 CO -0.04 0.54 0.05 0.34 -1.51 0.00 0.00 179.97 179.36 1udm s ASP 26 N -6.86 1.10 -0.12 -3.80 2.15 0.11 -4.97 116.67 104.27 1udm s ASP 26 Ca -0.05 1.23 0.15 0.00 0.43 0.00 0.00 52.55 54.31 1udm s ASP 26 Cb 0.14 -1.90 0.36 0.00 -0.30 0.00 0.00 42.92 41.22 1udm s ASP 26 CO 0.76 -4.08 1.25 0.47 -0.17 0.00 0.00 175.17 173.40 1udm n ASP 27 N -4.81 2.97 0.00 -0.34 8.00 -1.26 -4.52 116.55 116.58 1udm n ASP 27 Ca 0.05 -2.85 0.00 0.00 0.71 0.00 0.00 54.79 52.70 1udm n ASP 27 Cb 0.56 -0.41 0.00 0.00 -0.02 0.00 0.00 41.12 41.25 1udm n ASP 27 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1udm n GLY 28 N -0.80 -0.32 3.26 0.44 0.00 -1.26 -4.99 105.19 101.53 1udm n GLY 28 Ca 0.16 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.78 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 5.61 0.43 1.61 0.01 -1.26 -4.94 113.70 115.14 1udm s SER 29 Ca 0.00 -1.51 0.38 0.00 1.31 0.00 0.00 55.95 56.13 1udm s SER 29 Cb 0.00 -1.97 1.36 0.00 0.21 0.00 0.00 66.02 65.61 1udm s SER 29 CO 0.00 -0.53 1.24 0.00 0.41 0.00 0.00 173.24 174.36 1udm n ALA 30 N 4.90 1.46 -1.66 1.44 0.00 -1.26 -4.41 120.51 120.98 1udm n ALA 30 Ca -0.10 0.55 -0.47 0.00 0.00 0.00 0.00 53.44 53.42 1udm n ALA 30 Cb 0.43 -0.90 -0.04 0.00 0.00 0.00 0.00 19.45 18.93 1udm n ALA 30 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 1udm n VAL 31 N -3.63 0.00 0.00 0.00 0.31 -1.26 -4.29 118.33 109.46 1udm n VAL 31 Ca 0.35 -0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.68 1udm n VAL 31 Cb 1.57 -1.45 -0.00 0.00 -0.91 0.00 0.00 33.84 33.04 1udm n VAL 31 CO 0.00 0.00 0.00 2.30 -1.32 0.00 0.00 176.83 177.81 1udm n ILE 32 N 3.32 0.00 -4.11 2.52 -5.35 -0.89 -4.14 119.36 110.71 1udm n ILE 32 Ca 0.17 -0.05 -0.14 0.00 -0.27 0.00 0.00 62.75 62.46 1udm n ILE 32 Cb 0.28 0.55 -0.13 0.00 -1.74 0.00 0.00 39.64 38.60 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 -1.90 0.58 -0.10 4.28 1.48 -0.96 -0.65 118.94 121.68 1udm s TRP 33 Ca -0.00 -0.32 -0.04 0.00 -1.06 0.00 0.00 56.10 54.68 1udm s TRP 33 Cb 0.00 -0.36 0.05 0.00 -1.16 0.00 0.00 33.47 32.00 1udm s TRP 33 CO 0.00 -0.05 0.21 0.14 -4.06 0.00 0.00 176.95 173.19 1udm s VAL 34 N -0.82 -0.22 0.21 -0.66 -7.23 -0.32 -2.79 120.40 108.57 1udm s VAL 34 Ca -0.05 0.25 -0.02 0.00 -1.81 0.00 0.00 61.98 60.36 1udm s VAL 34 Cb -0.06 -0.35 -0.04 0.00 0.56 0.00 0.00 36.38 36.48 1udm s VAL 34 CO 0.00 0.11 0.41 0.42 -0.31 0.00 0.00 175.10 175.73 1udm s THR 35 N 1.89 5.17 -0.36 5.32 -4.23 -0.68 0.29 115.64 123.04 1udm s THR 35 Ca -0.03 -0.26 0.00 0.00 -1.18 0.00 0.00 61.69 60.23 1udm s THR 35 Cb -0.12 -3.72 0.11 0.00 1.34 0.00 0.00 72.50 70.12 1udm s THR 35 CO -0.07 -0.17 0.15 -0.36 -0.54 0.00 0.00 174.62 173.62 1udm s PHE 36 N -1.88 1.84 0.58 3.99 0.40 0.14 0.90 117.98 123.95 1udm s PHE 36 Ca 0.39 -2.02 0.04 0.00 -0.60 0.00 0.00 56.93 54.74 1udm s PHE 36 Cb -0.11 -1.78 0.07 0.00 0.51 0.00 0.00 43.02 41.71 1udm s PHE 36 CO 0.29 -0.85 0.80 -0.98 0.70 0.00 0.00 175.22 175.18 1udm s ARG 37 N 1.12 2.29 -0.01 0.44 1.70 -0.23 -2.20 118.95 122.06 1udm s ARG 37 Ca 0.13 -1.19 -0.04 0.00 -0.47 0.00 0.00 55.73 54.16 1udm s ARG 37 Cb -0.20 -2.54 -0.04 0.00 -0.57 0.00 0.00 34.95 31.60 1udm s ARG 37 CO -0.14 -0.88 0.21 0.71 -1.08 0.00 0.00 175.30 174.12 1udm s TYR 38 N -2.77 3.56 -0.06 5.89 1.51 -1.26 -0.14 117.35 124.08 1udm s TYR 38 Ca 0.61 0.43 0.08 0.00 -1.01 0.00 0.00 57.07 57.17 1udm s TYR 38 Cb -0.08 -1.88 0.12 0.00 -0.11 0.00 0.00 41.96 40.01 1udm s TYR 38 CO 0.39 0.64 1.06 -3.47 -1.11 0.00 0.00 175.55 173.06 1udm n ASP 39 N 1.01 2.15 0.00 2.29 -0.08 -0.93 -4.92 116.55 116.07 1udm n ASP 39 Ca -0.11 -2.45 0.00 0.00 -1.51 0.00 0.00 54.79 50.72 1udm n ASP 39 Cb 0.53 -0.18 0.00 0.00 2.34 0.00 0.00 41.12 43.81 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 -0.89 0.52 2.29 0.27 0.00 -1.26 -4.83 105.19 101.29 1udm n GLY 40 Ca 0.07 -0.55 -0.12 0.00 0.00 0.00 0.00 46.02 45.42 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 -0.24 -3.44 4.61 0.00 -1.26 -4.98 120.51 115.19 1udm n ALA 41 Ca 0.00 0.15 -0.06 0.00 0.00 0.00 0.00 53.44 53.53 1udm n ALA 41 Cb 0.00 -1.40 -0.07 0.00 0.00 0.00 0.00 19.45 17.98 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 -2.49 -0.72 0.05 0.00 2.01 -1.26 -1.66 115.64 111.57 1udm s THR 42 Ca 0.00 0.03 -0.31 0.00 0.31 0.00 0.00 61.69 61.72 1udm s THR 42 Cb 0.00 -0.81 -0.07 0.00 0.01 0.00 0.00 72.50 71.63 1udm s THR 42 CO 0.00 -0.03 1.46 -0.63 -0.69 0.00 0.00 174.62 174.73 1udm s ILE 43 N 2.65 3.43 0.02 1.82 1.01 -0.31 -2.19 121.20 127.63 1udm s ILE 43 Ca 0.08 0.90 0.00 0.00 0.00 0.00 0.00 60.65 61.63 1udm s ILE 43 Cb -0.14 -3.58 -0.02 0.00 0.01 0.00 0.00 42.46 38.73 1udm s ILE 43 CO -0.16 0.02 -0.03 0.68 0.00 0.00 0.00 174.94 175.45 1udm s VAL 44 N 2.12 0.10 -0.26 2.92 -7.23 0.80 -0.23 120.40 118.62 1udm s VAL 44 Ca 0.66 -0.84 -0.35 0.00 -1.81 0.00 0.00 61.98 59.64 1udm s VAL 44 Cb -0.35 -0.24 -0.12 0.00 0.56 0.00 0.00 36.38 36.23 1udm s VAL 44 CO 0.29 -0.46 2.04 -2.65 -0.31 0.00 0.00 175.10 174.01 1udm n PRO 45 N 1.72 1.43 0.00 4.82 -0.02 -1.26 -1.06 135.00 140.62 1udm n PRO 45 Ca -0.23 0.46 0.00 0.00 -2.02 0.00 0.00 63.50 61.71 1udm n PRO 45 Cb 0.55 -2.50 0.00 0.00 -0.02 0.00 0.00 33.50 31.54 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 5.54 1.83 3.93 -1.23 0.00 0.26 -4.77 105.19 110.76 1udm n GLY 46 Ca 0.33 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 46.10 1udm n GLY 46 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1udm s ASP 47 N -1.00 5.39 -0.27 1.61 1.11 -1.25 -4.89 116.67 117.38 1udm s ASP 47 Ca 0.00 0.50 -0.25 0.00 0.18 0.00 0.00 52.55 52.97 1udm s ASP 47 Cb 0.00 -1.42 0.07 0.00 1.07 0.00 0.00 42.92 42.64 1udm s ASP 47 CO 0.00 -1.16 0.74 -1.58 1.18 0.00 0.00 175.17 174.36 1udm s GLN 48 N -4.96 0.82 0.00 8.23 0.74 -1.26 -1.69 119.66 121.53 1udm s GLN 48 Ca 0.55 0.95 0.00 0.00 0.05 0.00 0.00 55.36 56.91 1udm s GLN 48 Cb -0.10 0.40 0.00 0.00 1.10 0.00 0.00 33.01 34.40 1udm s GLN 48 CO 0.43 -0.10 0.00 0.41 -0.55 0.00 0.00 175.29 175.48 1udm n GLY 49 N 2.61 -0.31 0.07 2.59 0.00 -1.12 -5.02 105.19 104.01 1udm n GLY 49 Ca -0.14 -1.03 -0.01 0.00 0.00 0.00 0.00 46.02 44.84 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 -0.31 2.03 -2.57 4.61 0.00 -1.26 -2.10 120.51 120.90 1udm n ALA 50 Ca 0.00 -0.86 -0.42 0.00 0.00 0.00 0.00 53.44 52.16 1udm n ALA 50 Cb 0.00 -0.58 -0.02 0.00 0.00 0.00 0.00 19.45 18.85 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 -5.27 6.40 0.56 0.00 -1.08 -1.26 -4.54 116.67 111.49 1udm s ASP 51 Ca -0.07 0.05 0.27 0.00 -0.52 0.00 0.00 52.55 52.28 1udm s ASP 51 Cb 0.09 -2.55 1.50 0.00 -1.46 0.00 0.00 42.92 40.49 1udm s ASP 51 CO 0.85 -1.53 2.00 0.22 0.52 0.00 0.00 175.17 177.23 1udm h TYR 52 N 9.66 0.00 0.00 -5.34 5.03 -1.99 0.35 116.97 124.68 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 1.05 0.00 -0.01 1.96 -1.32 0.00 0.00 178.16 179.84 1udm h GLN 53 N 0.00 0.00 0.00 1.82 1.08 -2.00 -2.04 115.11 113.97 1udm h GLN 53 Ca 0.19 0.00 -0.14 0.00 -1.45 0.00 0.00 58.65 57.24 1udm h GLN 53 Cb 0.88 0.00 -0.02 0.00 -0.05 0.00 0.00 27.48 28.29 1udm h GLN 53 CO -0.00 0.01 -0.78 0.45 -0.95 0.00 0.00 178.83 177.56 1udm h HIS 54 N 0.00 0.00 0.09 2.96 3.86 -0.68 -3.18 115.15 118.20 1udm h HIS 54 Ca -0.00 0.00 -0.27 0.00 -1.16 0.00 0.00 60.37 58.94 1udm h HIS 54 Cb 0.35 0.00 0.03 0.00 1.06 0.00 0.00 27.41 28.85 1udm h HIS 54 CO 0.00 0.64 -1.10 0.35 0.86 0.00 0.00 177.93 178.68 1udm h PHE 55 N 0.00 0.93 0.00 2.45 3.57 -1.39 -3.20 116.94 119.29 1udm h PHE 55 Ca -0.04 -0.57 0.00 0.00 3.53 0.00 0.00 57.97 60.89 1udm h PHE 55 Cb 1.52 -0.08 0.00 0.00 2.79 0.00 0.00 35.95 40.18 1udm h PHE 55 CO 0.00 1.41 0.00 0.82 -2.23 0.00 0.00 178.31 178.31 1udm h ILE 56 N 0.18 0.00 -0.06 1.41 2.04 -1.59 -1.94 117.51 117.54 1udm h ILE 56 Ca -0.16 -0.35 0.00 0.00 1.00 0.00 0.00 64.86 65.35 1udm h ILE 56 Cb 1.79 1.23 0.00 0.00 -0.74 0.00 0.00 36.82 39.10 1udm h ILE 56 CO 0.21 0.00 0.00 0.00 0.00 0.00 0.00 178.15 178.36 1udm n GLN 57 N -2.75 1.30 -0.02 2.37 1.13 -1.20 -3.41 117.38 114.81 1udm n GLN 57 Ca 0.01 -0.45 0.01 0.00 -1.94 0.00 0.00 57.00 54.63 1udm n GLN 57 Cb 0.25 -1.36 -0.08 0.00 0.11 0.00 0.00 30.24 29.16 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 -0.35 1.13 -2.84 -1.09 1.13 -0.73 -4.95 117.38 109.68 1udm n GLN 58 Ca 0.16 -0.06 -0.42 0.00 -1.94 0.00 0.00 57.00 54.74 1udm n GLN 58 Cb 0.18 -1.24 -0.04 0.00 0.11 0.00 0.00 30.24 29.26 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 3.15 0.60 -2.12 0.00 -4.23 -1.26 -4.92 115.64 106.86 1udm s THR 60 Ca 0.37 -2.00 0.20 0.00 -1.18 0.00 0.00 61.69 59.07 1udm s THR 60 Cb -0.14 -2.23 0.50 0.00 1.34 0.00 0.00 72.50 71.97 1udm s THR 60 CO 0.12 0.00 1.65 0.47 -0.54 0.00 0.00 174.62 176.32 1udm n ASP 61 N -1.43 0.69 -0.14 3.99 8.00 -1.26 -3.27 116.55 123.14 1udm n ASP 61 Ca -0.09 -1.54 0.07 0.00 0.71 0.00 0.00 54.79 53.94 1udm n ASP 61 Cb 0.65 -0.04 0.10 0.00 -0.02 0.00 0.00 41.12 41.80 1udm n ASP 61 CO 0.00 0.00 0.00 0.47 -0.39 0.00 0.00 177.20 177.28 1udm n ASP 62 N -0.33 1.84 -3.71 -2.24 9.92 -1.26 -2.11 116.55 118.65 1udm n ASP 62 Ca 0.15 -2.72 -0.10 0.00 -0.53 0.00 0.00 54.79 51.59 1udm n ASP 62 Cb 0.18 -0.33 -0.05 0.00 -0.64 0.00 0.00 41.12 40.27 1udm n ASP 62 CO 0.00 0.00 0.00 0.54 0.13 0.00 0.00 177.20 177.87 1udm s VAL 63 N -2.09 0.08 -0.15 2.53 0.11 -1.20 -5.01 120.40 114.67 1udm s VAL 63 Ca 0.22 -0.78 -0.14 0.00 -2.93 0.00 0.00 61.98 58.35 1udm s VAL 63 Cb 0.19 -1.27 0.04 0.00 -1.53 0.00 0.00 36.38 33.81 1udm s VAL 63 CO 0.02 -0.39 0.40 0.00 -3.33 0.00 0.00 175.10 171.81 1udm s ARG 64 N -3.83 0.47 -0.21 1.54 3.03 -1.26 -0.98 118.95 117.70 1udm s ARG 64 Ca 0.05 0.56 -0.33 0.00 2.03 0.00 0.00 55.73 58.03 1udm s ARG 64 Cb 0.02 0.22 0.15 0.00 -1.03 0.00 0.00 34.95 34.32 1udm s ARG 64 CO -0.11 -0.06 1.23 -0.48 -1.13 0.00 0.00 175.30 174.76 1udm s LEU 65 N 0.23 -0.13 0.71 -1.89 -0.00 -0.85 -4.64 118.68 112.11 1udm s LEU 65 Ca -0.00 0.06 -0.11 0.00 -0.00 0.00 0.00 54.13 54.08 1udm s LEU 65 Cb -0.03 1.35 0.02 0.00 -0.00 0.00 0.00 46.19 47.53 1udm s LEU 65 CO 0.00 -0.19 1.07 -0.36 -0.00 0.00 0.00 176.35 176.87 1udm s PHE 66 N -1.89 3.11 -0.23 3.48 0.40 -0.94 -1.07 117.98 120.83 1udm s PHE 66 Ca 0.08 1.35 -0.03 0.00 -0.60 0.00 0.00 56.93 57.72 1udm s PHE 66 Cb -0.01 -2.92 0.12 0.00 0.51 0.00 0.00 43.02 40.72 1udm s PHE 66 CO -0.05 -1.29 0.34 0.00 0.70 0.00 0.00 175.22 174.92 1udm s ALA 67 N -3.09 -0.91 -0.48 5.36 0.00 0.80 0.25 121.76 123.69 1udm s ALA 67 Ca 0.58 0.77 -0.19 0.00 0.00 0.00 0.00 51.96 53.13 1udm s ALA 67 Cb -0.14 -1.59 0.05 0.00 0.00 0.00 0.00 23.12 21.44 1udm s ALA 67 CO 0.55 -1.24 0.57 0.12 0.00 0.00 0.00 175.76 175.76 1udm s PHE 68 N 2.50 3.09 0.01 0.00 2.19 0.15 0.80 117.98 126.71 1udm s PHE 68 Ca 0.11 -0.51 0.04 0.00 0.33 0.00 0.00 56.93 56.90 1udm s PHE 68 Cb -0.15 -3.38 -0.03 0.00 -1.31 0.00 0.00 43.02 38.14 1udm s PHE 68 CO -0.15 -0.94 -0.11 0.08 1.83 0.00 0.00 175.22 175.93 1udm s VAL 69 N 2.46 3.30 -0.20 3.12 1.01 -1.06 -1.17 120.40 127.87 1udm s VAL 69 Ca 0.14 -0.89 -0.19 0.00 0.00 0.00 0.00 61.98 61.04 1udm s VAL 69 Cb -0.19 -2.40 -0.03 0.00 0.00 0.00 0.00 36.38 33.76 1udm s VAL 69 CO 0.12 0.41 0.56 -0.60 0.00 0.00 0.00 175.10 175.59 1udm s ARG 70 N -1.32 4.20 -0.09 2.72 3.52 0.18 -2.28 118.95 125.88 1udm s ARG 70 Ca 0.15 0.49 0.03 0.00 -0.13 0.00 0.00 55.73 56.27 1udm s ARG 70 Cb -0.11 -3.57 -0.01 0.00 -1.56 0.00 0.00 34.95 29.70 1udm s ARG 70 CO 0.06 -0.18 -0.20 -0.06 -0.81 0.00 0.00 175.30 174.10 1udm s PHE 71 N 1.74 2.61 -1.28 5.12 0.40 -1.26 -4.92 117.98 120.40 1udm s PHE 71 Ca 0.26 -0.77 0.08 0.00 -0.60 0.00 0.00 56.93 55.89 1udm s PHE 71 Cb -0.16 -1.71 0.32 0.00 0.51 0.00 0.00 43.02 41.99 1udm s PHE 71 CO 0.10 -0.25 1.12 0.25 0.70 0.00 0.00 175.22 177.14 1udm n THR 72 N 3.26 0.84 -0.29 0.64 -2.24 -1.26 -3.00 114.28 112.23 1udm n THR 72 Ca -0.18 -0.52 0.11 0.00 -2.27 0.00 0.00 64.05 61.19 1udm n THR 72 Cb 0.53 -0.13 0.26 0.00 -2.10 0.00 0.00 70.33 68.89 1udm n THR 72 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1udm h THR 73 N 1.78 0.33 -5.16 4.28 1.03 -1.93 -3.46 112.91 109.77 1udm h THR 73 Ca 0.00 -0.07 -0.19 0.00 -0.01 0.00 0.00 66.41 66.14 1udm h THR 73 Cb 0.81 0.12 0.01 0.00 -1.07 0.00 0.00 68.15 68.02 1udm h THR 73 CO 0.12 0.04 -0.83 0.61 -0.01 0.00 0.00 175.52 175.44 1udm n GLY 74 N -1.38 0.10 0.26 2.99 0.00 -1.25 -4.65 105.19 101.25 1udm n GLY 74 Ca 0.20 0.56 0.21 0.00 0.00 0.00 0.00 46.02 46.98 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 0.55 0.15 -4.58 1.61 -0.08 -1.26 -4.47 116.55 108.46 1udm n ASP 75 Ca -0.04 1.33 -0.31 0.00 -1.51 0.00 0.00 54.79 54.26 1udm n ASP 75 Cb 0.45 -0.59 -0.08 0.00 2.34 0.00 0.00 41.12 43.25 1udm n ASP 75 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 1udm s ALA 76 N -5.40 3.85 0.05 -1.67 0.00 -1.26 -5.05 121.76 112.27 1udm s ALA 76 Ca -0.08 -0.51 -0.22 0.00 0.00 0.00 0.00 51.96 51.15 1udm s ALA 76 Cb 0.26 0.22 -0.11 0.00 0.00 0.00 0.00 23.12 23.49 1udm s ALA 76 CO 0.62 -0.10 1.33 0.52 0.00 0.00 0.00 175.76 178.13 1udm h MET 77 N 1.44 -0.64 -0.69 0.00 2.86 -1.97 -3.10 114.93 112.83 1udm h MET 77 Ca -0.41 0.04 0.10 0.00 -2.06 0.00 0.00 59.70 57.37 1udm h MET 77 Cb 1.31 0.15 -0.11 0.00 0.06 0.00 0.00 31.60 33.00 1udm h MET 77 CO 0.69 -0.43 -0.46 1.03 1.06 0.00 0.00 176.91 178.80 1udm h SER 78 N -0.67 -1.60 -1.53 1.22 0.87 -1.98 -3.38 113.55 106.49 1udm h SER 78 Ca -0.05 0.27 -0.64 0.00 -1.23 0.00 0.00 61.79 60.13 1udm h SER 78 Cb 0.55 0.74 -0.00 0.00 -0.44 0.00 0.00 62.40 63.25 1udm h SER 78 CO 0.01 -0.32 1.35 0.29 -0.53 0.00 0.00 176.83 177.64 1udm n LYS 79 N -5.39 1.53 -0.07 2.24 5.02 -1.17 -4.84 118.16 115.48 1udm n LYS 79 Ca 0.03 0.47 -0.06 0.00 -2.02 0.00 0.00 58.31 56.72 1udm n LYS 79 Cb 0.34 -2.68 -0.02 0.00 -0.02 0.00 0.00 35.03 32.65 1udm n LYS 79 CO 0.00 0.00 0.00 -2.13 -0.52 0.00 0.00 177.40 174.75 1udm n ARG 80 N 7.90 0.39 -4.17 1.97 0.63 -1.26 -4.08 116.66 118.04 1udm n ARG 80 Ca 0.34 0.21 -0.26 0.00 -0.92 0.00 0.00 57.85 57.22 1udm n ARG 80 Cb 0.29 -1.25 -0.17 0.00 0.45 0.00 0.00 32.46 31.79 1udm n ARG 80 CO 0.00 0.00 0.00 -1.12 -2.51 0.00 0.00 177.63 174.00 1udm s SER 81 N -5.40 2.01 -0.12 6.15 0.01 -1.26 -3.87 113.70 111.21 1udm s SER 81 Ca -0.20 -0.30 0.13 0.00 1.31 0.00 0.00 55.95 56.88 1udm s SER 81 Cb 0.03 -0.83 -0.18 0.00 0.21 0.00 0.00 66.02 65.25 1udm s SER 81 CO 0.30 -0.06 0.09 1.17 0.41 0.00 0.00 173.24 175.15 1udm n LYS 82 N 4.49 1.57 -0.55 12.44 3.00 -1.16 -4.99 118.16 132.96 1udm n LYS 82 Ca -0.17 -0.02 0.08 0.00 -0.00 0.00 0.00 58.31 58.19 1udm n LYS 82 Cb 0.51 -1.35 -0.02 0.00 0.00 0.00 0.00 35.03 34.17 1udm n LYS 82 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 177.40 178.59 1udm n PHE 83 N -2.44 -2.48 -3.65 5.64 3.01 -1.26 -1.29 117.46 114.99 1udm n PHE 83 Ca -0.20 0.69 0.01 0.00 1.01 0.00 0.00 57.45 58.97 1udm n PHE 83 Cb 0.87 -1.20 -0.06 0.00 -0.01 0.00 0.00 39.48 39.08 1udm n PHE 83 CO 0.00 0.00 0.00 0.00 1.01 0.00 0.00 176.76 177.77 1udm s ALA 84 N -1.72 -2.58 -0.95 4.37 0.00 -0.96 -3.36 121.76 116.56 1udm s ALA 84 Ca 0.00 1.97 -0.20 0.00 0.00 0.00 0.00 51.96 53.73 1udm s ALA 84 Cb 0.00 -1.93 0.11 0.00 0.00 0.00 0.00 23.12 21.29 1udm s ALA 84 CO 0.00 -0.29 1.22 -1.17 0.00 0.00 0.00 175.76 175.52 1udm s LEU 85 N 0.95 4.59 -0.63 0.00 2.96 -0.92 -2.58 118.68 123.05 1udm s LEU 85 Ca -0.06 -1.86 -0.27 0.00 -0.22 0.00 0.00 54.13 51.72 1udm s LEU 85 Cb -0.03 -2.45 0.01 0.00 0.50 0.00 0.00 46.19 44.22 1udm s LEU 85 CO -0.11 -1.20 1.51 -0.63 -1.32 0.00 0.00 176.35 174.60 1udm s ILE 86 N 3.38 3.63 -0.69 6.68 1.01 0.24 0.42 121.20 135.87 1udm s ILE 86 Ca 0.37 0.45 -0.24 0.00 0.00 0.00 0.00 60.65 61.22 1udm s ILE 86 Cb -0.03 -4.43 0.06 0.00 0.01 0.00 0.00 42.46 38.06 1udm s ILE 86 CO -0.09 -1.30 1.08 -0.89 0.00 0.00 0.00 174.94 173.74 1udm s THR 87 N 6.84 4.11 0.34 2.92 2.01 0.27 -0.14 115.64 131.99 1udm s THR 87 Ca 0.52 -0.09 -0.26 0.00 0.31 0.00 0.00 61.69 62.17 1udm s THR 87 Cb -0.11 -4.77 -0.10 0.00 0.01 0.00 0.00 72.50 67.54 1udm s THR 87 CO 0.21 -1.60 1.00 0.86 -0.69 0.00 0.00 174.62 174.39 1udm s TRP 88 N 4.65 3.55 -0.29 4.92 -0.11 -0.23 -1.48 118.94 129.96 1udm s TRP 88 Ca 0.27 1.73 0.01 0.00 1.22 0.00 0.00 56.10 59.33 1udm s TRP 88 Cb -0.14 -3.03 0.15 0.00 -1.50 0.00 0.00 33.47 28.95 1udm s TRP 88 CO 0.12 -0.14 0.36 0.42 -4.62 0.00 0.00 176.95 173.09 1udm s ILE 89 N -1.57 -0.54 0.44 5.86 1.01 -0.20 -2.01 121.20 124.19 1udm s ILE 89 Ca 0.52 -0.36 -0.13 0.00 0.00 0.00 0.00 60.65 60.67 1udm s ILE 89 Cb -0.21 -0.98 -0.11 0.00 0.01 0.00 0.00 42.46 41.16 1udm s ILE 89 CO 0.27 -0.35 -0.19 0.61 0.00 0.00 0.00 174.94 175.28 1udm n GLY 90 N 5.34 -2.55 0.08 6.18 0.00 -0.15 -4.26 105.19 109.82 1udm n GLY 90 Ca -0.01 -0.22 0.02 0.00 0.00 0.00 0.00 46.02 45.81 1udm n GLY 90 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 1udm n GLU 91 N 1.24 0.64 0.00 1.61 2.13 -1.24 -3.98 120.64 121.04 1udm n GLU 91 Ca 0.04 0.09 0.13 0.00 0.66 0.00 0.00 57.16 58.08 1udm n GLU 91 Cb 0.35 -1.71 0.45 0.00 0.27 0.00 0.00 31.44 30.81 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 -2.71 0.26 -4.62 4.31 2.03 -0.90 -4.90 116.55 110.02 1udm n ASP 92 Ca -0.11 0.10 -0.30 0.00 0.52 0.00 0.00 54.79 54.99 1udm n ASP 92 Cb 0.80 -0.13 0.19 0.00 -0.72 0.00 0.00 41.12 41.26 1udm n ASP 92 CO 0.00 0.00 0.00 -0.69 -1.92 0.00 0.00 177.20 174.59 1udm s VAL 93 N -2.97 2.20 0.06 5.18 1.01 -1.11 -4.98 120.40 119.78 1udm s VAL 93 Ca 0.13 0.06 -0.25 0.00 0.00 0.00 0.00 61.98 61.93 1udm s VAL 93 Cb 0.18 -2.18 -0.06 0.00 0.00 0.00 0.00 36.38 34.33 1udm s VAL 93 CO 0.61 -0.08 0.77 -0.55 0.00 0.00 0.00 175.10 175.84 1udm s SER 94 N -2.75 7.24 0.33 3.32 0.15 -1.26 -4.92 113.70 115.81 1udm s SER 94 Ca 0.67 1.47 0.22 0.00 0.70 0.00 0.00 55.95 59.01 1udm s SER 94 Cb -0.23 -2.47 1.17 0.00 -1.71 0.00 0.00 66.02 62.79 1udm s SER 94 CO 0.60 0.04 1.30 0.61 1.20 0.00 0.00 173.24 177.00 1udm n GLY 95 N 2.27 -0.66 0.09 9.45 0.00 -1.26 -0.86 105.19 114.23 1udm n GLY 95 Ca -0.03 0.65 -0.03 0.00 0.00 0.00 0.00 46.02 46.61 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 -0.25 -0.73 0.99 6.46 -1.97 0.11 115.31 119.92 1udm h LEU 96 Ca 0.72 0.02 0.16 0.00 -0.12 0.00 0.00 57.88 58.66 1udm h LEU 96 Cb 2.08 0.08 -0.11 0.00 -0.73 0.00 0.00 40.66 41.98 1udm h LEU 96 CO -0.53 -0.12 0.14 1.56 -0.62 0.00 0.00 178.44 178.87 1udm h GLN 97 N -0.18 0.22 0.00 1.25 1.08 -1.39 0.59 115.11 116.68 1udm h GLN 97 Ca -0.01 -0.01 -0.00 0.00 -1.45 0.00 0.00 58.65 57.17 1udm h GLN 97 Cb 0.16 -0.05 -0.00 0.00 -0.05 0.00 0.00 27.48 27.54 1udm h GLN 97 CO -0.01 0.15 -0.02 -0.09 -0.95 0.00 0.00 178.83 177.91 1udm h ARG 98 N 0.23 0.00 -0.01 1.46 2.43 -1.21 0.14 114.38 117.42 1udm h ARG 98 Ca 0.41 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.58 1udm h ARG 98 Cb 0.71 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.26 1udm h ARG 98 CO -0.54 0.02 -0.08 0.00 -1.51 0.00 0.00 179.97 177.86 1udm n ALA 99 N -2.42 2.74 -0.14 2.80 0.00 0.20 -4.02 120.51 119.66 1udm n ALA 99 Ca -0.03 -0.34 -0.28 0.00 0.00 0.00 0.00 53.44 52.79 1udm n ALA 99 Cb 0.10 -1.28 -0.10 0.00 0.00 0.00 0.00 19.45 18.17 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 -0.54 0.60 -0.30 0.00 4.76 0.42 -4.30 118.16 118.80 1udm n LYS 100 Ca 0.17 0.24 0.28 0.00 -2.87 0.00 0.00 58.31 56.14 1udm n LYS 100 Cb 0.28 -1.49 0.63 0.00 -1.84 0.00 0.00 35.03 32.61 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 -0.85 0.49 0.00 -0.18 2.02 -1.50 0.58 112.91 113.47 1udm h THR 101 Ca -0.69 -0.07 -0.10 0.00 0.77 0.00 0.00 66.41 66.32 1udm h THR 101 Cb 1.66 0.27 -0.01 0.00 -1.74 0.00 0.00 68.15 68.33 1udm h THR 101 CO -0.38 0.04 -0.49 1.23 0.37 0.00 0.00 175.52 176.28 1udm h GLY 102 N 0.20 0.00 1.15 2.16 0.00 -1.77 -2.89 103.07 101.91 1udm h GLY 102 Ca 0.56 0.00 -0.28 0.00 0.00 0.00 0.00 47.33 47.61 1udm h GLY 102 CO -0.15 0.00 -1.16 -0.84 0.00 0.00 0.00 176.54 174.39 1udm h THR 103 N 0.00 1.31 0.00 4.70 2.02 -0.04 -3.16 112.91 117.73 1udm h THR 103 Ca -0.00 -2.42 0.00 0.00 0.77 0.00 0.00 66.41 64.75 1udm h THR 103 Cb 0.92 2.72 0.00 0.00 -1.74 0.00 0.00 68.15 70.05 1udm h THR 103 CO 0.06 0.73 0.00 0.47 0.37 0.00 0.00 175.52 177.16 1udm n ASP 104 N -3.86 0.00 0.27 4.18 8.00 -0.73 -2.72 116.55 121.69 1udm n ASP 104 Ca -0.13 0.45 0.10 0.00 0.71 0.00 0.00 54.79 55.92 1udm n ASP 104 Cb 0.95 -0.48 0.72 0.00 -0.02 0.00 0.00 41.12 42.29 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 0.00 0.00 0.00 -1.24 3.11 -1.47 -0.80 116.57 116.16 1udm h LYS 105 Ca 0.00 0.00 0.00 0.00 -2.81 0.00 0.00 60.65 57.84 1udm h LYS 105 Cb 0.24 0.00 0.00 0.00 -1.00 0.00 0.00 32.23 31.47 1udm h LYS 105 CO 0.00 0.05 0.00 1.15 -2.81 0.00 0.00 179.45 177.84 1udm h THR 106 N 0.00 0.00 0.00 1.00 2.02 -1.72 -0.93 112.91 113.27 1udm h THR 106 Ca -0.00 -0.20 -0.18 0.00 0.77 0.00 0.00 66.41 66.79 1udm h THR 106 Cb 0.10 1.14 -0.03 0.00 -1.74 0.00 0.00 68.15 67.62 1udm h THR 106 CO 0.01 0.00 -1.01 -0.07 0.37 0.00 0.00 175.52 174.82 1udm h LEU 107 N 0.00 0.00 -1.43 2.58 3.38 -1.38 -3.30 115.31 115.16 1udm h LEU 107 Ca 0.00 -0.57 -0.02 0.00 0.09 0.00 0.00 57.88 57.38 1udm h LEU 107 Cb 0.21 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 40.94 1udm h LEU 107 CO 0.00 1.37 0.13 0.58 0.09 0.00 0.00 178.44 180.61 1udm h VAL 108 N -1.00 1.15 0.00 1.22 2.07 -1.44 -1.76 116.25 116.48 1udm h VAL 108 Ca -0.27 -0.48 -0.06 0.00 0.82 0.00 0.00 66.70 66.70 1udm h VAL 108 Cb 1.21 0.73 -0.01 0.00 -1.52 0.00 0.00 31.29 31.71 1udm h VAL 108 CO -0.17 0.18 -0.30 0.50 0.02 0.00 0.00 177.57 177.80 1udm h LYS 109 N 0.51 0.00 -0.81 1.57 3.64 -1.34 -2.96 116.57 117.18 1udm h LYS 109 Ca 0.13 0.00 0.20 0.00 -1.27 0.00 0.00 60.65 59.70 1udm h LYS 109 Cb 0.13 0.00 -0.13 0.00 -0.41 0.00 0.00 32.23 31.82 1udm h LYS 109 CO -0.01 0.30 0.18 0.93 -2.27 0.00 0.00 179.45 178.58 1udm h GLU 110 N 0.00 0.21 0.15 1.90 4.39 -1.39 -1.01 114.58 118.83 1udm h GLU 110 Ca -0.00 -0.01 -0.27 0.00 0.34 0.00 0.00 59.36 59.41 1udm h GLU 110 Cb 0.54 -0.05 0.03 0.00 -0.10 0.00 0.00 28.75 29.17 1udm h GLU 110 CO 0.04 0.14 -1.15 0.28 -1.16 0.00 0.00 179.01 177.15 1udm h VAL 111 N 0.21 1.35 -2.88 3.13 2.07 -1.66 -3.41 116.25 115.06 1udm h VAL 111 Ca 0.48 -2.50 -0.70 0.00 0.82 0.00 0.00 66.70 64.80 1udm h VAL 111 Cb 0.91 2.90 -0.19 0.00 -1.52 0.00 0.00 31.29 33.39 1udm h VAL 111 CO -0.61 0.74 0.29 -0.69 0.02 0.00 0.00 177.57 177.32 1udm s VAL 112 N -2.77 4.82 0.00 2.57 1.01 -0.38 -4.72 120.40 120.92 1udm s VAL 112 Ca -0.11 -1.16 0.00 0.00 0.00 0.00 0.00 61.98 60.72 1udm s VAL 112 Cb 0.04 -4.56 0.00 0.00 0.00 0.00 0.00 36.38 31.86 1udm s VAL 112 CO 0.90 -1.23 0.00 0.00 0.00 0.00 0.00 175.10 174.78 1udm n GLN 113 N 6.32 2.58 0.22 2.72 6.02 -1.24 -4.63 117.38 129.38 1udm n GLN 113 Ca -0.01 0.00 0.10 0.00 -0.01 0.00 0.00 57.00 57.08 1udm n GLN 113 Cb 0.44 -0.90 0.46 0.00 1.02 0.00 0.00 30.24 31.27 1udm n GLN 113 CO 0.00 0.00 0.00 -0.97 -1.01 0.00 0.00 177.06 175.08 1udm h ASN 114 N 0.00 0.00 -0.66 1.08 -1.24 -1.93 -3.45 115.58 109.38 1udm h ASN 114 Ca 0.00 0.00 -0.00 0.00 0.71 0.00 0.00 56.30 57.01 1udm h ASN 114 Cb 0.79 0.00 0.00 0.00 0.73 0.00 0.00 38.32 39.85 1udm h ASN 114 CO 0.00 0.21 -0.00 2.22 -1.29 0.00 0.00 177.43 178.57 1udm n PHE 115 N -3.37 -1.30 -0.01 0.67 -1.74 -1.26 -4.96 117.46 105.48 1udm n PHE 115 Ca 0.00 -0.00 -0.01 0.00 -0.56 0.00 0.00 57.45 56.88 1udm n PHE 115 Cb 0.43 -0.02 -0.00 0.00 1.52 0.00 0.00 39.48 41.40 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 -1.96 0.08 -3.53 1.98 0.00 -0.41 -4.95 120.51 111.72 1udm n ALA 116 Ca -0.00 -0.21 -0.10 0.00 0.00 0.00 0.00 53.44 53.14 1udm n ALA 116 Cb 0.01 0.00 -0.02 0.00 0.00 0.00 0.00 19.45 19.44 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 -1.20 1.19 0.05 0.00 2.20 -1.26 -4.65 119.74 116.07 1udm s LYS 117 Ca -0.03 -0.50 -0.27 0.00 -0.36 0.00 0.00 55.97 54.82 1udm s LYS 117 Cb 0.00 0.51 -0.05 0.00 -1.51 0.00 0.00 37.83 36.78 1udm s LYS 117 CO 0.04 -0.53 0.83 -1.83 -0.36 0.00 0.00 175.35 173.50 1udm s GLU 118 N -3.54 4.55 -0.45 4.03 -1.05 -1.26 -2.17 118.70 118.82 1udm s GLU 118 Ca 0.04 1.19 -0.07 0.00 -0.15 0.00 0.00 54.97 55.98 1udm s GLU 118 Cb -0.02 -3.38 0.12 0.00 -0.44 0.00 0.00 34.13 30.41 1udm s GLU 118 CO -0.08 0.23 0.30 -0.06 0.95 0.00 0.00 175.26 176.60 1udm s PHE 119 N 0.09 3.48 -0.72 4.83 0.40 0.17 -4.90 117.98 121.32 1udm s PHE 119 Ca 0.42 -2.05 -0.26 0.00 -0.60 0.00 0.00 56.93 54.44 1udm s PHE 119 Cb -0.21 -3.42 0.04 0.00 0.51 0.00 0.00 43.02 39.94 1udm s PHE 119 CO 0.25 -0.99 1.21 0.08 0.70 0.00 0.00 175.22 176.47 1udm s VAL 120 N 1.29 3.85 -0.00 -0.44 1.01 -1.26 0.98 120.40 125.82 1udm s VAL 120 Ca 0.07 0.26 0.06 0.00 0.00 0.00 0.00 61.98 62.36 1udm s VAL 120 Cb -0.25 -4.87 -0.03 0.00 0.00 0.00 0.00 36.38 31.23 1udm s VAL 120 CO -0.02 -1.77 -0.18 -0.63 0.00 0.00 0.00 175.10 172.50 1udm s ILE 121 N 5.38 2.73 -0.02 2.22 1.01 -0.55 -4.96 121.20 127.02 1udm s ILE 121 Ca 0.32 -1.01 0.01 0.00 0.00 0.00 0.00 60.65 59.98 1udm s ILE 121 Cb -0.10 -2.08 -0.01 0.00 0.01 0.00 0.00 42.46 40.27 1udm s ILE 121 CO 0.14 0.48 0.03 -0.24 0.00 0.00 0.00 174.94 175.35 1udm n SER 122 N 2.00 2.97 -4.29 3.58 2.88 -1.26 -1.03 113.62 118.47 1udm n SER 122 Ca -0.16 -0.20 -0.33 0.00 -1.33 0.00 0.00 58.87 56.85 1udm n SER 122 Cb 0.52 1.03 -0.15 0.00 -0.75 0.00 0.00 64.21 64.86 1udm n SER 122 CO 0.00 0.00 0.00 -0.62 -1.23 0.00 0.00 175.04 173.19 1udm s ASP 123 N -1.73 3.75 0.36 -3.46 2.15 -1.26 -3.89 116.67 112.60 1udm s ASP 123 Ca -0.00 -0.43 0.12 0.00 0.43 0.00 0.00 52.55 52.66 1udm s ASP 123 Cb 0.01 -1.58 0.90 0.00 -0.30 0.00 0.00 42.92 41.95 1udm s ASP 123 CO 0.04 0.10 1.83 0.03 -0.17 0.00 0.00 175.17 177.01 1udm h ARG 124 N 7.15 0.58 0.00 4.34 3.08 -1.94 0.29 114.38 127.89 1udm h ARG 124 Ca -0.30 -0.04 0.00 0.00 0.07 0.00 0.00 59.98 59.71 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 0.56 0.39 0.27 -0.22 -1.07 0.00 0.00 179.97 179.90 1udm h LYS 125 N 0.60 0.00 0.00 0.04 1.63 -2.01 0.78 116.57 117.61 1udm h LYS 125 Ca 0.51 0.00 0.00 0.00 -0.85 0.00 0.00 60.65 60.31 1udm h LYS 125 Cb 0.98 0.00 0.00 0.00 -0.60 0.00 0.00 32.23 32.61 1udm h LYS 125 CO -0.25 0.00 -1.48 0.39 -3.45 0.00 0.00 179.45 174.66 1udm n GLU 126 N -2.26 0.75 0.06 1.90 1.02 0.10 -4.26 120.64 117.95 1udm n GLU 126 Ca -0.01 -0.11 0.09 0.00 -0.02 0.00 0.00 57.16 57.11 1udm n GLU 126 Cb 0.30 -1.41 0.39 0.00 -0.02 0.00 0.00 31.44 30.71 1udm n GLU 126 CO 0.00 0.00 0.00 1.28 1.18 0.00 0.00 177.13 179.59 1udm n LEU 127 N -1.88 0.32 -4.49 -4.62 7.99 0.27 -4.61 117.00 109.98 1udm n LEU 127 Ca -0.01 0.58 -0.43 0.00 -0.01 0.00 0.00 56.01 56.14 1udm n LEU 127 Cb 0.41 -0.54 -0.08 0.00 -0.11 0.00 0.00 43.42 43.09 1udm n LEU 127 CO 0.38 -0.41 2.01 -0.62 -1.51 0.00 0.00 177.39 177.24 1udm n GLU 128 N -1.86 0.69 -0.27 3.23 1.02 -1.21 -4.75 120.64 117.50 1udm n GLU 128 Ca 0.03 0.09 0.27 0.00 -0.02 0.00 0.00 57.16 57.52 1udm n GLU 128 Cb 0.19 -2.45 0.49 0.00 -0.02 0.00 0.00 31.44 29.65 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 8.54 -0.05 -0.20 3.49 0.00 -1.26 0.19 120.64 131.35 1udm n GLU 129 Ca 0.48 1.15 -0.01 0.00 0.00 0.00 0.00 57.16 58.78 1udm n GLU 129 Cb 0.26 -2.06 0.10 0.00 0.00 0.00 0.00 31.44 29.74 1udm n GLU 129 CO 0.00 0.00 0.00 -0.44 0.00 0.00 0.00 177.13 176.69 1udm h ASP 130 N 0.00 0.26 -0.43 4.31 3.32 -1.95 -0.82 116.42 121.10 1udm h ASP 130 Ca 0.71 0.07 -0.04 0.00 0.02 0.00 0.00 57.03 57.78 1udm h ASP 130 Cb 1.87 0.04 -0.02 0.00 0.22 0.00 0.00 39.33 41.43 1udm h ASP 130 CO -0.64 0.16 0.13 0.15 -1.72 0.00 0.00 179.24 177.32 1udm h PHE 131 N 0.43 0.76 -0.57 4.55 3.57 0.18 -2.74 116.94 123.11 1udm h PHE 131 Ca 0.30 -0.06 -0.01 0.00 3.53 0.00 0.00 57.97 61.73 1udm h PHE 131 Cb 0.34 -0.23 -0.03 0.00 2.79 0.00 0.00 35.95 38.83 1udm h PHE 131 CO -0.16 0.63 0.32 0.82 -2.23 0.00 0.00 178.31 177.69 1udm h ILE 132 N 0.72 1.19 0.23 1.41 1.08 -0.90 -3.12 117.51 118.11 1udm h ILE 132 Ca 0.16 -0.47 0.01 0.00 -0.39 0.00 0.00 64.86 64.17 1udm h ILE 132 Cb 0.25 0.46 -0.04 0.00 -3.07 0.00 0.00 36.82 34.41 1udm h ILE 132 CO -0.00 0.20 -0.51 0.03 -0.69 0.00 0.00 178.15 177.18 1udm h ARG 133 N 0.77 -0.78 -0.99 2.37 2.47 -1.07 -1.36 114.38 115.80 1udm h ARG 133 Ca 0.20 0.05 0.34 0.00 -1.26 0.00 0.00 59.98 59.31 1udm h ARG 133 Cb 0.04 0.18 -0.18 0.00 -1.65 0.00 0.00 29.97 28.36 1udm h ARG 133 CO -0.03 -0.52 0.30 1.03 0.56 0.00 0.00 179.97 181.30 1udm h SER 134 N -0.81 -0.04 0.33 7.04 0.87 -1.50 0.10 113.55 119.53 1udm h SER 134 Ca -0.02 0.26 -0.02 0.00 -1.23 0.00 0.00 61.79 60.79 1udm h SER 134 Cb 0.78 0.36 0.00 0.00 -0.44 0.00 0.00 62.40 63.10 1udm h SER 134 CO -0.22 -0.37 -0.16 -0.33 -0.53 0.00 0.00 176.83 175.22 1udm h GLU 135 N 0.04 -0.43 -0.98 2.24 4.39 -1.29 -3.21 114.58 115.34 1udm h GLU 135 Ca 0.71 0.03 0.31 0.00 0.34 0.00 0.00 59.36 60.75 1udm h GLU 135 Cb 1.70 0.10 -0.18 0.00 -0.10 0.00 0.00 28.75 30.27 1udm h GLU 135 CO -0.82 -0.29 0.20 -0.07 -1.16 0.00 0.00 179.01 176.88 1udm h LEU 136 N -0.59 -0.19 -0.94 1.33 3.38 -0.19 0.94 115.31 119.04 1udm h LEU 136 Ca -0.05 0.27 0.25 0.00 0.09 0.00 0.00 57.88 58.44 1udm h LEU 136 Cb 0.34 0.40 -0.13 0.00 0.09 0.00 0.00 40.66 41.36 1udm h LEU 136 CO 0.07 -0.36 0.44 0.50 0.09 0.00 0.00 178.44 179.19 1udm h LYS 137 N 0.03 0.36 -0.13 1.13 3.64 -1.03 0.10 116.57 120.67 1udm h LYS 137 Ca 0.67 -0.02 0.00 0.00 -1.27 0.00 0.00 60.65 60.03 1udm h LYS 137 Cb 1.51 -0.08 0.00 0.00 -0.41 0.00 0.00 32.23 33.25 1udm h LYS 137 CO -0.85 0.24 0.00 0.36 -2.27 0.00 0.00 179.45 176.93 1udm n LYS 138 N -5.06 2.12 -1.67 1.90 2.85 0.27 -4.68 118.16 113.90 1udm n LYS 138 Ca 0.25 -2.66 -0.53 0.00 -1.05 0.00 0.00 58.31 54.33 1udm n LYS 138 Cb 0.76 -1.64 -0.06 0.00 -0.65 0.00 0.00 35.03 33.44 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 -0.94 0.00 -3.17 0.58 0.00 0.17 -4.91 120.51 112.24 1udm n ALA 139 Ca 0.18 0.41 -0.21 0.00 0.00 0.00 0.00 53.44 53.81 1udm n ALA 139 Cb 0.74 -2.26 -0.04 0.00 0.00 0.00 0.00 19.45 17.89 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 3.71 3.74 2.66 0.00 0.00 -1.26 -4.91 105.19 109.12 1udm n GLY 140 Ca 0.22 -1.86 -0.09 0.00 0.00 0.00 0.00 46.02 44.30 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 0.55 1.51 3.75 -0.02 0.00 -1.26 -5.12 105.19 104.59 1udm n GLY 141 Ca 0.25 -0.96 -0.32 0.00 0.00 0.00 0.00 46.02 44.99 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 -2.13 4.02 0.04 4.61 0.00 -1.26 -4.83 121.76 122.20 1udm s ALA 142 Ca 0.26 -0.63 -0.03 0.00 0.00 0.00 0.00 51.96 51.56 1udm s ALA 142 Cb 0.44 0.01 -0.02 0.00 0.00 0.00 0.00 23.12 23.55 1udm s ALA 142 CO -0.00 -0.05 0.02 0.54 0.00 0.00 0.00 175.76 176.27 1udm s ASN 143 N -3.87 0.29 -0.03 0.00 4.22 -1.26 -5.11 114.94 109.18 1udm s ASN 143 Ca 0.10 -0.67 -0.33 0.00 -2.14 0.00 0.00 52.86 49.82 1udm s ASN 143 Cb 0.02 0.18 -0.11 0.00 1.28 0.00 0.00 41.25 42.63 1udm s ASN 143 CO 0.05 -0.48 1.90 0.00 -2.04 0.00 0.00 177.10 176.53 1udm n TYR 144 N 0.79 2.40 -3.45 1.54 9.36 -1.26 -4.95 117.16 121.59 1udm n TYR 144 Ca -0.19 -0.12 -0.11 0.00 3.32 0.00 0.00 57.90 60.80 1udm n TYR 144 Cb 0.58 -2.71 -0.09 0.00 -0.63 0.00 0.00 39.34 36.49 1udm n TYR 144 CO 0.00 0.00 0.00 0.34 0.22 0.00 0.00 176.86 177.42 1udm s ASP 145 N 4.01 0.34 0.90 2.98 -1.08 -1.26 -5.13 116.67 117.43 1udm s ASP 145 Ca 0.91 0.32 0.00 0.00 -0.52 0.00 0.00 52.55 53.25 1udm s ASP 145 Cb -0.60 1.00 0.00 0.00 -1.46 0.00 0.00 42.92 41.86 1udm s ASP 145 CO 0.47 -0.29 0.00 0.00 0.52 0.00 0.00 175.17 175.88 1udm n ALA 146 N 5.36 -0.04 -0.10 3.66 0.00 -1.26 -4.61 120.51 123.52 1udm n ALA 146 Ca -0.05 0.01 -0.22 0.00 0.00 0.00 0.00 53.44 53.18 1udm n ALA 146 Cb 0.50 -0.02 -0.12 0.00 0.00 0.00 0.00 19.45 19.81 1udm n ALA 146 CO 0.00 0.00 0.00 0.94 0.00 0.00 0.00 177.50 178.44 1udm n GLN 147 N -1.83 0.65 -0.50 0.00 7.27 -1.26 -4.99 117.38 116.72 1udm n GLN 147 Ca 0.00 0.25 -0.25 0.00 0.07 0.00 0.00 57.00 57.06 1udm n GLN 147 Cb 0.01 -1.58 0.20 0.00 2.41 0.00 0.00 30.24 31.27 1udm n GLN 147 CO 0.00 0.00 0.00 -1.13 0.07 0.00 0.00 177.06 176.00 1udm n SER 148 N -3.67 -2.98 0.00 1.69 3.41 -1.26 -5.25 113.62 105.55 1udm n SER 148 Ca -0.43 -0.40 0.00 0.00 -0.26 0.00 0.00 58.87 57.77 1udm n SER 148 Cb 0.95 -0.91 0.00 0.00 -0.26 0.00 0.00 64.21 63.99 1udm n SER 148 CO 0.00 0.00 0.00 -1.84 -0.16 0.00 0.00 175.04 173.04