#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1udm n SER 2 N 0.00 -4.87 -0.13 1.61 7.64 -1.26 -4.89 113.62 111.72 1udm n SER 2 Ca 0.00 -0.73 -0.22 0.00 1.01 0.00 0.00 58.87 58.93 1udm n SER 2 Cb 0.00 -4.13 -0.11 0.00 -1.01 0.00 0.00 64.21 58.96 1udm n SER 2 CO 0.00 0.00 0.00 1.21 -3.01 0.00 0.00 175.04 173.24 1udm n GLU 3 N -4.72 0.63 -1.80 1.43 0.00 -1.26 -4.91 120.64 110.01 1udm n GLU 3 Ca 0.01 0.18 -0.43 0.00 0.00 0.00 0.00 57.16 56.93 1udm n GLU 3 Cb 0.54 -1.51 -0.03 0.00 0.00 0.00 0.00 31.44 30.44 1udm n GLU 3 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.13 177.33 1udm s GLY 4 N -6.22 0.93 -0.08 8.31 0.00 -1.26 -4.86 107.32 104.14 1udm s GLY 4 Ca -0.36 0.75 -0.18 0.00 0.00 0.00 0.00 44.72 44.93 1udm s GLY 4 CO 0.57 3.46 0.70 0.00 0.00 0.00 0.00 173.10 177.83 1udm h ALA 5 N 12.74 0.06 -0.11 3.20 0.00 -2.03 -3.31 119.26 129.80 1udm h ALA 5 Ca -0.40 -0.93 0.03 0.00 0.00 0.00 0.00 54.91 53.61 1udm h ALA 5 Cb 1.21 0.32 -0.00 0.00 0.00 0.00 0.00 17.79 19.32 1udm h ALA 5 CO 0.98 0.66 0.11 0.00 0.00 0.00 0.00 179.25 180.99 1udm h ALA 6 N 0.01 1.79 -1.03 0.00 0.00 -2.03 -3.47 119.26 114.52 1udm h ALA 6 Ca -0.24 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.66 1udm h ALA 6 Cb 1.74 0.01 -0.00 0.00 0.00 0.00 0.00 17.79 19.54 1udm h ALA 6 CO 0.10 -0.17 -0.00 2.41 0.00 0.00 0.00 179.25 181.59 1udm n THR 7 N -3.98 0.00 -3.91 0.00 -1.04 -1.25 -5.03 114.28 99.08 1udm n THR 7 Ca -0.00 0.00 -0.09 0.00 -2.04 0.00 0.00 64.05 61.92 1udm n THR 7 Cb 0.22 -0.00 -0.02 0.00 -1.82 0.00 0.00 70.33 68.71 1udm n THR 7 CO 0.00 0.00 0.00 -0.32 -0.64 0.00 0.00 175.07 174.11 1udm s MET 8 N -0.01 1.83 1.06 -2.82 1.75 -1.26 -5.11 119.30 114.74 1udm s MET 8 Ca 0.00 -1.25 -0.15 0.00 -1.25 0.00 0.00 55.69 53.04 1udm s MET 8 Cb 0.00 0.56 0.17 0.00 2.84 0.00 0.00 34.83 38.39 1udm s MET 8 CO 0.00 -0.82 0.27 0.00 -0.65 0.00 0.00 175.02 173.82 1udm n ALA 9 N -0.46 -1.70 -1.72 4.11 0.00 -1.26 -4.92 120.51 114.56 1udm n ALA 9 Ca -0.04 -1.14 -0.34 0.00 0.00 0.00 0.00 53.44 51.92 1udm n ALA 9 Cb 0.60 -1.03 0.00 0.00 0.00 0.00 0.00 19.45 19.03 1udm n ALA 9 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.50 178.49 1udm s THR 10 N -2.10 3.45 0.25 0.00 2.01 -1.26 -5.03 115.64 112.96 1udm s THR 10 Ca 0.42 0.83 0.02 0.00 0.31 0.00 0.00 61.69 63.27 1udm s THR 10 Cb -0.07 -3.32 -0.05 0.00 0.01 0.00 0.00 72.50 69.07 1udm s THR 10 CO 0.41 -0.27 0.06 -0.54 -0.69 0.00 0.00 174.62 173.59 1udm s LYS 11 N -3.53 1.39 0.01 4.92 -0.14 -1.19 -5.06 119.74 116.15 1udm s LYS 11 Ca 0.69 -1.74 0.03 0.00 -1.36 0.00 0.00 55.97 53.59 1udm s LYS 11 Cb -0.20 -0.41 -0.01 0.00 -1.68 0.00 0.00 37.83 35.53 1udm s LYS 11 CO 0.29 -0.22 -0.08 -1.50 -0.76 0.00 0.00 175.35 173.07 1udm s ILE 12 N -3.62 0.64 -0.09 2.17 2.07 -1.26 -1.57 121.20 119.54 1udm s ILE 12 Ca 0.34 -0.60 -0.02 0.00 -1.41 0.00 0.00 60.65 58.96 1udm s ILE 12 Cb 0.07 -0.59 -0.05 0.00 0.13 0.00 0.00 42.46 42.02 1udm s ILE 12 CO 0.12 0.01 2.62 0.47 -1.91 0.00 0.00 174.94 176.24 1udm n ASP 13 N 2.41 5.59 -0.05 4.50 9.92 -0.15 -4.72 116.55 134.04 1udm n ASP 13 Ca -0.16 -2.61 0.01 0.00 -0.53 0.00 0.00 54.79 51.50 1udm n ASP 13 Cb 0.56 -1.23 0.02 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 1.60 -0.01 0.19 -1.24 5.02 -1.26 0.25 118.16 122.70 1udm n LYS 14 Ca 0.23 0.20 -0.16 0.00 -2.02 0.00 0.00 58.31 56.56 1udm n LYS 14 Cb 0.65 -0.30 -0.09 0.00 -0.02 0.00 0.00 35.03 35.28 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 -0.78 -0.26 1.97 4.11 -1.98 0.35 114.58 117.97 1udm h GLU 15 Ca 0.06 0.05 -0.11 0.00 0.07 0.00 0.00 59.36 59.44 1udm h GLU 15 Cb 0.09 0.18 -0.01 0.00 0.50 0.00 0.00 28.75 29.51 1udm h GLU 15 CO -0.13 -0.52 -0.28 0.00 0.07 0.00 0.00 179.01 178.14 1udm h ALA 16 N -0.52 1.02 0.75 1.06 0.00 0.29 -3.14 119.26 118.71 1udm h ALA 16 Ca -0.02 -0.37 -0.04 0.00 0.00 0.00 0.00 54.91 54.48 1udm h ALA 16 Cb 0.77 -0.12 0.01 0.00 0.00 0.00 0.00 17.79 18.45 1udm h ALA 16 CO -0.18 0.59 -0.36 0.00 0.00 0.00 0.00 179.25 179.30 1udm h ARG 18 N -1.05 0.20 0.09 0.00 2.43 -0.38 0.32 114.38 115.98 1udm h ARG 18 Ca -0.10 -0.01 0.00 0.00 -0.81 0.00 0.00 59.98 59.06 1udm h ARG 18 Cb 0.77 -0.04 -0.01 0.00 -0.42 0.00 0.00 29.97 30.27 1udm h ARG 18 CO 0.17 0.13 -0.09 0.00 -1.51 0.00 0.00 179.97 178.67 1udm h ALA 19 N 1.77 -0.17 -0.31 2.80 0.00 -1.45 -0.81 119.26 121.10 1udm h ALA 19 Ca 0.77 -0.02 -0.03 0.00 0.00 0.00 0.00 54.91 55.63 1udm h ALA 19 Cb 2.04 0.13 -0.01 0.00 0.00 0.00 0.00 17.79 19.94 1udm h ALA 19 CO -0.54 -0.61 0.08 0.00 0.00 0.00 0.00 179.25 178.18 1udm h ALA 20 N 0.71 0.40 0.00 0.00 0.00 -0.21 -0.51 119.26 119.65 1udm h ALA 20 Ca 0.01 -0.17 -0.00 0.00 0.00 0.00 0.00 54.91 54.75 1udm h ALA 20 Cb 0.19 -0.12 -0.00 0.00 0.00 0.00 0.00 17.79 17.86 1udm h ALA 20 CO -0.03 0.06 -0.00 -0.92 0.00 0.00 0.00 179.25 178.36 1udm h TYR 21 N 0.33 0.00 0.08 0.00 3.20 -0.95 -2.46 116.97 117.16 1udm h TYR 21 Ca 0.10 0.00 -0.28 0.00 3.14 0.00 0.00 58.73 61.68 1udm h TYR 21 Cb 0.28 0.00 -0.02 0.00 1.54 0.00 0.00 36.73 38.53 1udm h TYR 21 CO 0.01 0.00 -1.52 -0.91 -1.64 0.00 0.00 178.16 174.11 1udm h ASN 22 N 0.00 0.25 0.00 -2.11 2.35 -0.58 -2.56 115.58 112.94 1udm h ASN 22 Ca -0.00 -0.77 0.00 0.00 -0.55 0.00 0.00 56.30 54.98 1udm h ASN 22 Cb 0.03 -0.08 0.00 0.00 0.05 0.00 0.00 38.32 38.32 1udm h ASN 22 CO 0.00 1.64 0.37 -0.07 -1.65 0.00 0.00 177.43 177.72 1udm h LEU 23 N -0.44 0.00 0.00 1.61 -0.00 -0.63 0.36 115.31 116.22 1udm h LEU 23 Ca -0.35 0.00 -0.30 0.00 -0.00 0.00 0.00 57.88 57.23 1udm h LEU 23 Cb 1.67 0.00 -0.05 0.00 -0.00 0.00 0.00 40.66 42.28 1udm h LEU 23 CO -0.03 0.00 -2.12 0.52 -0.00 0.00 0.00 178.44 176.82 1udm n VAL 24 N -2.65 1.12 0.08 1.22 0.31 -1.15 -4.15 118.33 113.12 1udm n VAL 24 Ca -0.02 -0.42 0.00 0.00 -0.01 0.00 0.00 64.34 63.90 1udm n VAL 24 Cb 0.40 -1.24 0.31 0.00 -0.91 0.00 0.00 33.84 32.41 1udm n VAL 24 CO 0.00 0.00 0.00 -0.09 -1.32 0.00 0.00 176.83 175.42 1udm h ARG 25 N -0.06 0.31 -6.37 5.55 2.43 -0.78 -3.43 114.38 112.04 1udm h ARG 25 Ca -0.44 -0.09 -0.54 0.00 -0.81 0.00 0.00 59.98 58.09 1udm h ARG 25 Cb 1.66 -0.03 -0.00 0.00 -0.42 0.00 0.00 29.97 31.18 1udm h ARG 25 CO -0.09 0.50 0.85 0.34 -1.51 0.00 0.00 179.97 180.07 1udm s ASP 26 N -6.85 6.84 0.00 -3.80 -1.08 0.12 -4.87 116.67 107.02 1udm s ASP 26 Ca -0.06 2.13 0.14 0.00 -0.52 0.00 0.00 52.55 54.24 1udm s ASP 26 Cb 0.15 -2.56 0.84 0.00 -1.46 0.00 0.00 42.92 39.88 1udm s ASP 26 CO 0.75 -0.73 1.27 -0.67 0.52 0.00 0.00 175.17 176.31 1udm n ASP 27 N 5.45 0.00 -0.19 -0.34 -0.08 -1.26 -2.09 116.55 118.04 1udm n ASP 27 Ca 0.13 -0.70 0.10 0.00 -1.51 0.00 0.00 54.79 52.81 1udm n ASP 27 Cb 0.43 0.00 -0.07 0.00 2.34 0.00 0.00 41.12 43.83 1udm n ASP 27 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 1udm n GLY 28 N 0.12 -0.51 3.32 0.27 0.00 -1.26 -4.85 105.19 102.29 1udm n GLY 28 Ca 0.11 -0.58 -0.39 0.00 0.00 0.00 0.00 46.02 45.16 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 -2.65 5.52 0.48 1.61 0.01 -0.89 -4.95 113.70 112.83 1udm s SER 29 Ca 0.11 -1.08 0.42 0.00 1.31 0.00 0.00 55.95 56.71 1udm s SER 29 Cb 0.16 -1.94 1.52 0.00 0.21 0.00 0.00 66.02 65.97 1udm s SER 29 CO 0.70 -0.36 1.42 0.00 0.41 0.00 0.00 173.24 175.41 1udm n ALA 30 N 4.90 1.60 -1.61 1.44 0.00 -1.26 -4.48 120.51 121.11 1udm n ALA 30 Ca -0.12 0.65 -0.49 0.00 0.00 0.00 0.00 53.44 53.48 1udm n ALA 30 Cb 0.45 -1.02 -0.05 0.00 0.00 0.00 0.00 19.45 18.84 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 -3.95 0.44 0.00 0.00 0.31 -1.26 -4.47 118.33 109.39 1udm n VAL 31 Ca 0.40 -0.11 0.00 0.00 -0.01 0.00 0.00 64.34 64.62 1udm n VAL 31 Cb 1.73 -1.01 0.00 0.00 -0.91 0.00 0.00 33.84 33.66 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 2.20 0.00 -4.05 2.52 -5.35 -1.05 -4.39 119.36 109.24 1udm n ILE 32 Ca 0.16 -0.16 -0.08 0.00 -0.27 0.00 0.00 62.75 62.40 1udm n ILE 32 Cb 0.24 0.66 -0.10 0.00 -1.74 0.00 0.00 39.64 38.69 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 -1.60 0.43 -0.21 4.28 1.48 -0.89 -0.44 118.94 122.00 1udm s TRP 33 Ca 0.00 -0.89 -0.19 0.00 -1.06 0.00 0.00 56.10 53.96 1udm s TRP 33 Cb 0.00 -0.32 0.05 0.00 -1.16 0.00 0.00 33.47 32.04 1udm s TRP 33 CO 0.00 -0.32 0.55 0.54 -4.06 0.00 0.00 176.95 173.66 1udm s VAL 34 N -3.13 -0.00 0.12 -0.66 0.11 0.07 -2.61 120.40 114.30 1udm s VAL 34 Ca -0.00 0.00 0.06 0.00 -2.93 0.00 0.00 61.98 59.11 1udm s VAL 34 Cb 0.02 -0.77 -0.04 0.00 -1.53 0.00 0.00 36.38 34.07 1udm s VAL 34 CO -0.07 0.00 -0.03 0.42 -3.33 0.00 0.00 175.10 172.09 1udm s THR 35 N 0.37 3.75 -0.34 5.04 -4.23 0.06 0.98 115.64 121.27 1udm s THR 35 Ca -0.01 -1.19 0.01 0.00 -1.18 0.00 0.00 61.69 59.32 1udm s THR 35 Cb -0.04 -2.81 0.11 0.00 1.34 0.00 0.00 72.50 71.10 1udm s THR 35 CO -0.00 0.05 0.12 -0.36 -0.54 0.00 0.00 174.62 173.88 1udm s PHE 36 N -1.41 2.16 0.50 3.99 0.40 0.12 0.56 117.98 124.30 1udm s PHE 36 Ca 0.25 -2.12 0.06 0.00 -0.60 0.00 0.00 56.93 54.52 1udm s PHE 36 Cb -0.11 -1.99 0.04 0.00 0.51 0.00 0.00 43.02 41.47 1udm s PHE 36 CO 0.17 -0.87 0.69 -0.98 0.70 0.00 0.00 175.22 174.93 1udm s ARG 37 N 1.22 2.58 0.16 0.44 1.70 -0.12 -2.56 118.95 122.35 1udm s ARG 37 Ca 0.12 -1.20 -0.11 0.00 -0.47 0.00 0.00 55.73 54.07 1udm s ARG 37 Cb -0.19 -2.64 -0.07 0.00 -0.57 0.00 0.00 34.95 31.48 1udm s ARG 37 CO -0.17 -0.57 0.50 0.71 -1.08 0.00 0.00 175.30 174.69 1udm s TYR 38 N -2.57 3.53 -0.10 5.89 1.51 -1.26 0.08 117.35 124.43 1udm s TYR 38 Ca 0.58 0.89 0.14 0.00 -1.01 0.00 0.00 57.07 57.67 1udm s TYR 38 Cb -0.09 -2.25 0.22 0.00 -0.11 0.00 0.00 41.96 39.73 1udm s TYR 38 CO 0.36 0.40 1.12 -3.47 -1.11 0.00 0.00 175.55 172.85 1udm n ASP 39 N 0.46 2.28 0.00 2.29 -0.08 -0.46 -4.89 116.55 116.15 1udm n ASP 39 Ca -0.04 -2.83 0.00 0.00 -1.51 0.00 0.00 54.79 50.41 1udm n ASP 39 Cb 0.52 -0.33 0.00 0.00 2.34 0.00 0.00 41.12 43.65 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 -1.20 0.71 2.29 0.27 0.00 -1.26 -4.82 105.19 101.18 1udm n GLY 40 Ca 0.12 -0.65 -0.12 0.00 0.00 0.00 0.00 46.02 45.38 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 -0.25 -3.65 4.61 0.00 -1.26 -4.98 120.51 114.97 1udm n ALA 41 Ca 0.00 0.15 -0.05 0.00 0.00 0.00 0.00 53.44 53.54 1udm n ALA 41 Cb 0.00 -1.41 -0.06 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 -2.50 -0.57 0.18 0.00 2.01 -1.26 -3.18 115.64 110.32 1udm s THR 42 Ca 0.00 0.03 -0.30 0.00 0.31 0.00 0.00 61.69 61.73 1udm s THR 42 Cb 0.00 -0.91 -0.08 0.00 0.01 0.00 0.00 72.50 71.51 1udm s THR 42 CO 0.00 0.01 1.28 -0.63 -0.69 0.00 0.00 174.62 174.59 1udm s ILE 43 N 2.36 3.38 -0.04 1.82 1.01 -0.61 -1.36 121.20 127.77 1udm s ILE 43 Ca -0.07 1.12 -0.12 0.00 0.00 0.00 0.00 60.65 61.57 1udm s ILE 43 Cb -0.10 -3.71 0.02 0.00 0.01 0.00 0.00 42.46 38.68 1udm s ILE 43 CO -0.18 0.16 0.28 0.68 0.00 0.00 0.00 174.94 175.88 1udm s VAL 44 N 0.22 0.05 -0.22 2.92 -7.23 0.11 -0.98 120.40 115.27 1udm s VAL 44 Ca 0.56 -0.37 -0.36 0.00 -1.81 0.00 0.00 61.98 60.00 1udm s VAL 44 Cb -0.35 -0.53 -0.13 0.00 0.56 0.00 0.00 36.38 35.93 1udm s VAL 44 CO 0.36 -0.21 1.93 -2.65 -0.31 0.00 0.00 175.10 174.23 1udm n PRO 45 N 1.77 1.59 0.00 4.82 -0.02 -1.26 -0.95 135.00 140.95 1udm n PRO 45 Ca -0.19 0.55 0.00 0.00 -2.02 0.00 0.00 63.50 61.84 1udm n PRO 45 Cb 0.56 -2.45 0.00 0.00 -0.02 0.00 0.00 33.50 31.59 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 4.93 0.98 3.93 -1.23 0.00 0.19 -4.76 105.19 109.23 1udm n GLY 46 Ca 0.29 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 46.05 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 5.21 -0.15 1.61 1.01 -1.24 -4.88 116.67 117.23 1udm s ASP 47 Ca 0.00 0.51 -0.30 0.00 0.71 0.00 0.00 52.55 53.46 1udm s ASP 47 Cb 0.00 -1.34 0.12 0.00 1.01 0.00 0.00 42.92 42.72 1udm s ASP 47 CO 0.00 -1.31 0.97 -1.58 0.21 0.00 0.00 175.17 173.47 1udm s GLN 48 N -5.07 0.63 0.00 8.23 0.74 -1.26 -0.76 119.66 122.17 1udm s GLN 48 Ca 0.57 0.13 0.00 0.00 0.05 0.00 0.00 55.36 56.11 1udm s GLN 48 Cb -0.11 0.30 0.00 0.00 1.10 0.00 0.00 33.01 34.30 1udm s GLN 48 CO 0.44 -0.20 0.00 0.41 -0.55 0.00 0.00 175.29 175.39 1udm n GLY 49 N 0.70 0.12 0.01 2.59 0.00 -1.07 -5.00 105.19 102.54 1udm n GLY 49 Ca -0.11 -1.07 0.11 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 -0.50 3.88 -2.77 4.61 0.00 -1.26 -2.10 120.51 122.36 1udm n ALA 50 Ca 0.00 -0.48 -0.43 0.00 0.00 0.00 0.00 53.44 52.52 1udm n ALA 50 Cb 0.00 -0.90 -0.05 0.00 0.00 0.00 0.00 19.45 18.50 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 -3.49 6.25 0.54 0.00 2.15 -1.26 -4.60 116.67 116.25 1udm s ASP 51 Ca 0.05 -0.79 0.28 0.00 0.43 0.00 0.00 52.55 52.52 1udm s ASP 51 Cb 0.15 -2.35 1.44 0.00 -0.30 0.00 0.00 42.92 41.87 1udm s ASP 51 CO 0.82 -1.08 1.95 0.22 -0.17 0.00 0.00 175.17 176.92 1udm h TYR 52 N 9.17 0.00 0.00 -5.34 5.03 -1.99 0.53 116.97 124.37 1udm h TYR 52 Ca -0.27 0.00 -0.03 0.00 2.58 0.00 0.00 58.73 61.00 1udm h TYR 52 Cb 1.08 0.00 -0.00 0.00 1.55 0.00 0.00 36.73 39.36 1udm h TYR 52 CO 0.83 0.00 -0.15 1.96 -1.32 0.00 0.00 178.16 179.48 1udm h GLN 53 N 0.00 0.00 0.00 1.82 1.08 -2.00 -2.56 115.11 113.46 1udm h GLN 53 Ca 0.31 0.00 -0.14 0.00 -1.45 0.00 0.00 58.65 57.37 1udm h GLN 53 Cb 1.28 0.00 -0.02 0.00 -0.05 0.00 0.00 27.48 28.69 1udm h GLN 53 CO -0.00 0.15 -0.68 0.45 -0.95 0.00 0.00 178.83 177.80 1udm h HIS 54 N 0.00 0.00 0.01 2.96 3.86 -0.33 -3.07 115.15 118.58 1udm h HIS 54 Ca -0.00 0.00 -0.11 0.00 -1.16 0.00 0.00 60.37 59.10 1udm h HIS 54 Cb 0.59 0.00 0.01 0.00 1.06 0.00 0.00 27.41 29.06 1udm h HIS 54 CO 0.00 0.68 -0.43 0.35 0.86 0.00 0.00 177.93 179.39 1udm h PHE 55 N 0.00 0.43 0.00 2.45 3.57 -1.38 -3.20 116.94 118.80 1udm h PHE 55 Ca -0.01 -0.24 -0.00 0.00 3.53 0.00 0.00 57.97 61.25 1udm h PHE 55 Cb 1.40 -0.05 -0.00 0.00 2.79 0.00 0.00 35.95 40.09 1udm h PHE 55 CO 0.00 1.05 -0.02 0.82 -2.23 0.00 0.00 178.31 177.94 1udm h ILE 56 N -0.32 0.12 -0.00 1.41 2.04 -1.58 -0.50 117.51 118.67 1udm h ILE 56 Ca -0.06 -0.23 0.00 0.00 1.00 0.00 0.00 64.86 65.58 1udm h ILE 56 Cb 1.18 1.20 0.00 0.00 -0.74 0.00 0.00 36.82 38.45 1udm h ILE 56 CO 0.08 0.02 0.00 0.00 0.00 0.00 0.00 178.15 178.25 1udm n GLN 57 N -3.21 1.04 -0.10 2.37 1.13 -1.16 -3.66 117.38 113.79 1udm n GLN 57 Ca -0.02 -0.06 -0.18 0.00 -1.94 0.00 0.00 57.00 54.80 1udm n GLN 57 Cb 0.16 -1.43 -0.08 0.00 0.11 0.00 0.00 30.24 29.00 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 -0.86 0.45 -2.04 -1.09 1.13 -0.20 -4.93 117.38 109.84 1udm n GLN 58 Ca 0.21 0.16 -0.43 0.00 -1.94 0.00 0.00 57.00 55.00 1udm n GLN 58 Cb 0.11 -1.29 -0.03 0.00 0.11 0.00 0.00 30.24 29.14 1udm n GLN 58 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 1udm n THR 60 N 6.22 0.00 1.99 0.00 -2.24 -1.26 -4.97 114.28 114.02 1udm n THR 60 Ca 0.19 -2.44 0.11 0.00 -2.27 0.00 0.00 64.05 59.64 1udm n THR 60 Cb 0.44 0.83 0.64 0.00 -2.10 0.00 0.00 70.33 70.14 1udm n THR 60 CO 0.00 0.00 0.00 0.47 -0.57 0.00 0.00 175.07 174.97 1udm n ASP 61 N -1.49 0.00 -0.06 3.42 8.00 -1.26 -2.91 116.55 122.25 1udm n ASP 61 Ca -0.08 -1.32 0.09 0.00 0.71 0.00 0.00 54.79 54.19 1udm n ASP 61 Cb 0.63 0.00 0.12 0.00 -0.02 0.00 0.00 41.12 41.85 1udm n ASP 61 CO 0.00 0.00 0.00 -0.90 -0.39 0.00 0.00 177.20 175.91 1udm n ASP 62 N -0.84 2.29 -3.56 -2.24 5.68 -1.26 -3.32 116.55 113.30 1udm n ASP 62 Ca 0.16 -2.93 -0.13 0.00 -0.50 0.00 0.00 54.79 51.39 1udm n ASP 62 Cb 0.07 -0.37 -0.04 0.00 -1.14 0.00 0.00 41.12 39.64 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 -2.61 0.03 -0.13 2.12 0.11 -1.15 -5.03 120.40 113.75 1udm s VAL 63 Ca 0.27 -0.28 -0.06 0.00 -2.93 0.00 0.00 61.98 58.99 1udm s VAL 63 Cb 0.24 -1.03 0.06 0.00 -1.53 0.00 0.00 36.38 34.12 1udm s VAL 63 CO 0.03 -0.15 0.29 0.00 -3.33 0.00 0.00 175.10 171.93 1udm s ARG 64 N -3.10 0.21 0.22 1.54 3.03 -1.26 -1.15 118.95 118.43 1udm s ARG 64 Ca -0.02 0.73 -0.22 0.00 2.03 0.00 0.00 55.73 58.25 1udm s ARG 64 Cb -0.00 -0.01 0.05 0.00 -1.03 0.00 0.00 34.95 33.95 1udm s ARG 64 CO -0.07 -0.24 0.67 -0.48 -1.13 0.00 0.00 175.30 174.05 1udm s LEU 65 N 2.03 -0.41 0.44 -1.89 -0.00 -0.79 -4.70 118.68 113.35 1udm s LEU 65 Ca -0.03 -0.30 -0.11 0.00 -0.00 0.00 0.00 54.13 53.68 1udm s LEU 65 Cb -0.11 2.65 -0.06 0.00 -0.00 0.00 0.00 46.19 48.67 1udm s LEU 65 CO -0.09 -1.15 0.82 -0.36 -0.00 0.00 0.00 176.35 175.56 1udm s PHE 66 N -3.82 3.48 -0.25 3.48 0.40 -1.06 -0.32 117.98 119.88 1udm s PHE 66 Ca 0.06 1.13 -0.04 0.00 -0.60 0.00 0.00 56.93 57.48 1udm s PHE 66 Cb -0.03 -2.51 0.09 0.00 0.51 0.00 0.00 43.02 41.07 1udm s PHE 66 CO -0.03 -0.19 0.11 0.00 0.70 0.00 0.00 175.22 175.82 1udm s ALA 67 N -2.46 0.63 -0.41 5.36 0.00 0.23 0.12 121.76 125.22 1udm s ALA 67 Ca 0.53 -0.87 -0.22 0.00 0.00 0.00 0.00 51.96 51.40 1udm s ALA 67 Cb -0.10 -1.28 0.02 0.00 0.00 0.00 0.00 23.12 21.75 1udm s ALA 67 CO 0.33 -1.48 0.72 0.12 0.00 0.00 0.00 175.76 175.45 1udm s PHE 68 N 2.07 3.06 0.05 0.00 5.36 0.28 0.66 117.98 129.46 1udm s PHE 68 Ca 0.06 0.23 0.08 0.00 -0.96 0.00 0.00 56.93 56.34 1udm s PHE 68 Cb -0.16 -3.43 -0.03 0.00 -0.34 0.00 0.00 43.02 39.05 1udm s PHE 68 CO -0.26 -0.84 -0.21 0.08 -1.46 0.00 0.00 175.22 172.53 1udm s VAL 69 N 3.03 2.57 -0.08 3.12 1.01 -0.93 -0.75 120.40 128.37 1udm s VAL 69 Ca 0.27 -1.30 -0.20 0.00 0.00 0.00 0.00 61.98 60.75 1udm s VAL 69 Cb -0.13 -2.07 -0.04 0.00 0.00 0.00 0.00 36.38 34.13 1udm s VAL 69 CO 0.19 0.31 0.55 -0.60 0.00 0.00 0.00 175.10 175.55 1udm s ARG 70 N -1.47 4.34 -0.26 2.72 3.52 0.42 -1.64 118.95 126.58 1udm s ARG 70 Ca 0.14 0.60 -0.01 0.00 -0.13 0.00 0.00 55.73 56.33 1udm s ARG 70 Cb -0.10 -3.41 0.08 0.00 -1.56 0.00 0.00 34.95 29.96 1udm s ARG 70 CO 0.05 0.20 0.05 -0.06 -0.81 0.00 0.00 175.30 174.73 1udm s PHE 71 N 0.43 1.70 0.28 5.12 0.08 -1.26 -4.86 117.98 119.46 1udm s PHE 71 Ca 0.29 -1.52 -0.02 0.00 0.12 0.00 0.00 56.93 55.81 1udm s PHE 71 Cb -0.16 -1.52 0.60 0.00 -0.57 0.00 0.00 43.02 41.37 1udm s PHE 71 CO 0.13 -0.78 1.62 1.79 -0.10 0.00 0.00 175.22 177.89 1udm h THR 72 N 6.54 0.24 -0.43 0.64 1.35 -1.93 -1.58 112.91 117.73 1udm h THR 72 Ca -0.15 -0.04 0.00 0.00 -0.55 0.00 0.00 66.41 65.67 1udm h THR 72 Cb 1.06 0.12 -0.00 0.00 -1.73 0.00 0.00 68.15 67.60 1udm h THR 72 CO 0.42 0.02 -0.00 0.35 -0.25 0.00 0.00 175.52 176.06 1udm n THR 73 N -5.35 0.00 0.00 6.82 -2.24 -1.26 -3.54 114.28 108.71 1udm n THR 73 Ca 0.19 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.97 1udm n THR 73 Cb 0.61 -0.00 0.00 0.00 -2.10 0.00 0.00 70.33 68.84 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 -0.00 2.83 1.00 3.38 0.00 -1.26 -4.66 105.19 106.48 1udm n GLY 74 Ca 0.00 0.16 0.08 0.00 0.00 0.00 0.00 46.02 46.26 1udm n GLY 74 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1udm n ASP 75 N 0.00 3.97 0.00 1.61 8.00 -1.26 -4.92 116.55 123.95 1udm n ASP 75 Ca 0.00 -2.78 0.00 0.00 0.71 0.00 0.00 54.79 52.72 1udm n ASP 75 Cb 0.00 -0.50 0.00 0.00 -0.02 0.00 0.00 41.12 40.60 1udm n ASP 75 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1udm n ALA 76 N -0.08 0.00 -0.10 2.24 0.00 -1.26 -4.78 120.51 116.54 1udm n ALA 76 Ca 0.21 0.00 -0.16 0.00 0.00 0.00 0.00 53.44 53.49 1udm n ALA 76 Cb 0.84 -0.46 -0.07 0.00 0.00 0.00 0.00 19.45 19.75 1udm n ALA 76 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 177.50 177.38 1udm n MET 77 N -2.00 0.52 -3.43 0.00 0.00 -1.26 -4.94 117.12 106.01 1udm n MET 77 Ca 0.00 0.50 -0.13 0.00 0.00 0.00 0.00 57.70 58.07 1udm n MET 77 Cb 0.00 -1.68 -0.10 0.00 0.00 0.00 0.00 33.22 31.44 1udm n MET 77 CO 0.00 0.00 0.00 -1.12 0.00 0.00 0.00 175.97 174.85 1udm s SER 78 N -6.46 0.73 -0.35 6.12 0.01 -1.26 -5.11 113.70 107.38 1udm s SER 78 Ca -0.25 0.06 -0.28 0.00 1.31 0.00 0.00 55.95 56.79 1udm s SER 78 Cb 0.05 0.78 -0.04 0.00 0.21 0.00 0.00 66.02 67.03 1udm s SER 78 CO 0.44 -0.31 2.07 -0.54 0.41 0.00 0.00 173.24 175.31 1udm s LYS 79 N 2.45 2.96 -0.28 12.44 1.02 -1.26 -4.69 119.74 132.37 1udm s LYS 79 Ca 0.09 1.56 -0.21 0.00 0.02 0.00 0.00 55.97 57.44 1udm s LYS 79 Cb -0.15 -4.35 0.13 0.00 -0.52 0.00 0.00 37.83 32.93 1udm s LYS 79 CO -0.14 -2.30 1.00 0.50 -0.92 0.00 0.00 175.35 173.49 1udm s ARG 80 N 6.53 0.46 0.55 1.68 3.52 -1.26 -5.14 118.95 125.30 1udm s ARG 80 Ca 0.89 0.65 -0.20 0.00 -0.13 0.00 0.00 55.73 56.94 1udm s ARG 80 Cb -0.24 0.17 -0.06 0.00 -1.56 0.00 0.00 34.95 33.26 1udm s ARG 80 CO 0.31 -0.07 1.04 0.43 -0.81 0.00 0.00 175.30 176.20 1udm n SER 81 N 2.90 1.20 -0.02 -2.12 7.64 -1.23 -4.72 113.62 117.26 1udm n SER 81 Ca -0.15 0.88 -0.02 0.00 1.01 0.00 0.00 58.87 60.59 1udm n SER 81 Cb 0.57 -1.41 -0.04 0.00 -1.01 0.00 0.00 64.21 62.31 1udm n SER 81 CO 0.00 0.00 0.00 0.29 -3.01 0.00 0.00 175.04 172.32 1udm n LYS 82 N -0.75 3.05 -0.68 1.43 5.02 -0.60 -4.98 118.16 120.66 1udm n LYS 82 Ca 0.12 -0.00 0.09 0.00 -2.02 0.00 0.00 58.31 56.50 1udm n LYS 82 Cb 0.45 -1.13 -0.02 0.00 -0.02 0.00 0.00 35.03 34.31 1udm n LYS 82 CO 0.00 0.00 0.00 1.19 -0.52 0.00 0.00 177.40 178.07 1udm n PHE 83 N -2.16 -2.72 -3.49 2.13 3.01 -1.24 0.11 117.46 113.11 1udm n PHE 83 Ca -0.08 0.85 0.03 0.00 1.01 0.00 0.00 57.45 59.26 1udm n PHE 83 Cb 0.64 -1.44 -0.05 0.00 -0.01 0.00 0.00 39.48 38.61 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 -1.98 -2.90 -0.84 4.37 0.00 -0.65 -3.30 121.76 116.46 1udm s ALA 84 Ca 0.00 1.91 -0.21 0.00 0.00 0.00 0.00 51.96 53.66 1udm s ALA 84 Cb 0.00 -2.10 0.10 0.00 0.00 0.00 0.00 23.12 21.11 1udm s ALA 84 CO 0.00 -0.54 1.12 -1.17 0.00 0.00 0.00 175.76 175.17 1udm s LEU 85 N 1.38 4.56 -0.61 0.00 2.96 -0.67 -2.18 118.68 124.11 1udm s LEU 85 Ca -0.05 -1.54 -0.28 0.00 -0.22 0.00 0.00 54.13 52.04 1udm s LEU 85 Cb -0.02 -2.43 0.02 0.00 0.50 0.00 0.00 46.19 44.26 1udm s LEU 85 CO -0.12 -1.28 1.40 -0.63 -1.32 0.00 0.00 176.35 174.40 1udm s ILE 86 N 3.57 3.76 -0.67 6.68 1.01 0.21 0.12 121.20 135.88 1udm s ILE 86 Ca 0.31 0.60 -0.24 0.00 0.00 0.00 0.00 60.65 61.32 1udm s ILE 86 Cb -0.09 -4.53 0.05 0.00 0.01 0.00 0.00 42.46 37.90 1udm s ILE 86 CO -0.02 -1.31 1.08 -0.89 0.00 0.00 0.00 174.94 173.80 1udm s THR 87 N 6.11 4.11 0.33 2.92 2.01 0.43 0.74 115.64 132.29 1udm s THR 87 Ca 0.49 0.02 -0.22 0.00 0.31 0.00 0.00 61.69 62.29 1udm s THR 87 Cb -0.10 -4.75 -0.10 0.00 0.01 0.00 0.00 72.50 67.56 1udm s THR 87 CO 0.23 -1.56 0.87 0.86 -0.69 0.00 0.00 174.62 174.33 1udm s TRP 88 N 4.67 3.54 -0.29 4.92 -0.11 0.57 -0.64 118.94 131.59 1udm s TRP 88 Ca 0.28 1.58 0.03 0.00 1.22 0.00 0.00 56.10 59.22 1udm s TRP 88 Cb -0.13 -2.79 0.17 0.00 -1.50 0.00 0.00 33.47 29.22 1udm s TRP 88 CO 0.13 0.14 0.45 0.42 -4.62 0.00 0.00 176.95 173.47 1udm s ILE 89 N -1.79 -0.72 0.09 5.86 1.01 -0.72 -1.88 121.20 123.05 1udm s ILE 89 Ca 0.52 -0.23 -0.23 0.00 0.00 0.00 0.00 60.65 60.72 1udm s ILE 89 Cb -0.15 -0.99 -0.13 0.00 0.01 0.00 0.00 42.46 41.20 1udm s ILE 89 CO 0.19 -0.22 0.50 0.61 0.00 0.00 0.00 174.94 176.03 1udm n GLY 90 N 5.37 -0.90 0.09 6.18 0.00 -0.30 -4.46 105.19 111.18 1udm n GLY 90 Ca 0.02 0.34 0.07 0.00 0.00 0.00 0.00 46.02 46.45 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 0.83 1.12 -0.00 1.61 2.13 -1.24 -3.14 120.64 121.94 1udm n GLU 91 Ca 0.13 -0.18 0.02 0.00 0.66 0.00 0.00 57.16 57.79 1udm n GLU 91 Cb 0.14 -1.22 -0.04 0.00 0.27 0.00 0.00 31.44 30.59 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 -0.52 3.89 -4.36 4.31 -0.08 -1.21 -5.05 116.55 113.53 1udm n ASP 92 Ca 0.10 0.00 -0.33 0.00 -1.51 0.00 0.00 54.79 53.05 1udm n ASP 92 Cb 0.09 1.15 0.11 0.00 2.34 0.00 0.00 41.12 44.81 1udm n ASP 92 CO 0.00 0.00 0.00 0.52 0.12 0.00 0.00 177.20 177.84 1udm n VAL 93 N -1.73 0.03 -2.46 5.18 0.31 -1.19 -4.90 118.33 113.58 1udm n VAL 93 Ca -0.02 -0.24 -0.41 0.00 -0.01 0.00 0.00 64.34 63.67 1udm n VAL 93 Cb 0.19 -0.54 -0.04 0.00 -0.91 0.00 0.00 33.84 32.54 1udm n VAL 93 CO 0.00 0.00 0.00 -0.55 -1.32 0.00 0.00 176.83 174.96 1udm s SER 94 N -1.87 7.18 0.21 4.52 0.15 -1.26 -4.81 113.70 117.81 1udm s SER 94 Ca 0.55 2.12 -0.01 0.00 0.70 0.00 0.00 55.95 59.30 1udm s SER 94 Cb -0.21 -2.60 0.45 0.00 -1.71 0.00 0.00 66.02 61.95 1udm s SER 94 CO 0.69 -0.31 1.08 0.61 1.20 0.00 0.00 173.24 176.52 1udm n GLY 95 N 2.27 -1.03 0.36 9.45 0.00 -1.26 -0.19 105.19 114.80 1udm n GLY 95 Ca 0.04 0.70 -0.13 0.00 0.00 0.00 0.00 46.02 46.63 1udm n GLY 95 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 1udm h LEU 96 N 0.00 -1.01 -1.22 0.99 6.46 -1.96 1.06 115.31 119.63 1udm h LEU 96 Ca 0.39 0.08 0.19 0.00 -0.12 0.00 0.00 57.88 58.41 1udm h LEU 96 Cb 0.73 0.33 -0.09 0.00 -0.73 0.00 0.00 40.66 40.90 1udm h LEU 96 CO -0.68 -0.49 0.61 1.56 -0.62 0.00 0.00 178.44 178.83 1udm h GLN 97 N -0.73 0.63 0.00 1.25 4.20 -0.95 0.44 115.11 119.95 1udm h GLN 97 Ca -0.05 -0.04 -0.15 0.00 0.06 0.00 0.00 58.65 58.48 1udm h GLN 97 Cb 0.64 -0.14 -0.02 0.00 0.30 0.00 0.00 27.48 28.25 1udm h GLN 97 CO -0.04 0.41 -0.71 -0.09 -0.67 0.00 0.00 178.83 177.73 1udm h ARG 98 N 0.64 0.00 -0.00 1.46 1.12 -0.46 -2.63 114.38 114.51 1udm h ARG 98 Ca 0.52 0.00 0.00 0.00 -1.11 0.00 0.00 59.98 59.39 1udm h ARG 98 Cb 0.96 0.00 0.00 0.00 -0.01 0.00 0.00 29.97 30.92 1udm h ARG 98 CO -0.28 0.71 -0.30 0.00 -3.11 0.00 0.00 179.97 176.99 1udm n ALA 99 N -2.37 3.08 -0.02 2.80 0.00 0.36 -3.90 120.51 120.46 1udm n ALA 99 Ca -0.00 -0.27 -0.21 0.00 0.00 0.00 0.00 53.44 52.96 1udm n ALA 99 Cb 0.71 -1.25 -0.14 0.00 0.00 0.00 0.00 19.45 18.78 1udm n ALA 99 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 1udm n LYS 100 N -1.41 0.74 -0.35 0.00 4.76 0.12 -3.99 118.16 118.03 1udm n LYS 100 Ca 0.07 0.24 0.04 0.00 -2.87 0.00 0.00 58.31 55.79 1udm n LYS 100 Cb 0.33 -1.67 0.19 0.00 -1.84 0.00 0.00 35.03 32.04 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 0.06 0.99 -0.30 -0.18 2.02 -1.59 -1.07 112.91 112.84 1udm h THR 101 Ca -0.45 -0.35 -0.07 0.00 0.77 0.00 0.00 66.41 66.30 1udm h THR 101 Cb 2.01 -0.12 -0.02 0.00 -1.74 0.00 0.00 68.15 68.28 1udm h THR 101 CO 0.05 0.19 -0.11 1.23 0.37 0.00 0.00 175.52 177.25 1udm h GLY 102 N 1.03 0.55 1.27 2.16 0.00 -1.74 -2.56 103.07 103.78 1udm h GLY 102 Ca 0.44 -0.38 -0.19 0.00 0.00 0.00 0.00 47.33 47.20 1udm h GLY 102 CO -0.22 0.35 -0.62 -0.84 0.00 0.00 0.00 176.54 175.21 1udm h THR 103 N 0.47 1.29 0.00 4.70 2.02 -1.38 -2.85 112.91 117.17 1udm h THR 103 Ca 0.09 -1.84 0.00 0.00 0.77 0.00 0.00 66.41 65.43 1udm h THR 103 Cb 0.49 1.79 0.00 0.00 -1.74 0.00 0.00 68.15 68.68 1udm h THR 103 CO 0.03 0.59 0.00 0.47 0.37 0.00 0.00 175.52 176.97 1udm n ASP 104 N -3.96 0.00 -0.12 4.18 8.00 -0.53 -3.20 116.55 120.91 1udm n ASP 104 Ca -0.05 0.15 0.06 0.00 0.71 0.00 0.00 54.79 55.66 1udm n ASP 104 Cb 0.66 -0.35 0.38 0.00 -0.02 0.00 0.00 41.12 41.79 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 0.67 -0.10 -1.24 3.11 -1.21 -0.53 116.57 117.27 1udm h LYS 105 Ca 0.00 -0.04 0.03 0.00 -2.81 0.00 0.00 60.65 57.83 1udm h LYS 105 Cb 0.24 -0.15 -0.00 0.00 -1.00 0.00 0.00 32.23 31.32 1udm h LYS 105 CO 0.00 0.44 0.14 1.15 -2.81 0.00 0.00 179.45 178.37 1udm h THR 106 N 0.69 0.34 0.00 1.00 2.02 -1.75 -0.45 112.91 114.77 1udm h THR 106 Ca 0.25 0.00 -0.01 0.00 0.77 0.00 0.00 66.41 67.42 1udm h THR 106 Cb 0.15 0.88 -0.00 0.00 -1.74 0.00 0.00 68.15 67.43 1udm h THR 106 CO -0.07 0.00 -0.08 -0.07 0.37 0.00 0.00 175.52 175.67 1udm h LEU 107 N 0.00 0.00 -1.78 2.58 3.38 -1.34 -3.18 115.31 114.97 1udm h LEU 107 Ca 0.05 -0.82 -0.01 0.00 0.09 0.00 0.00 57.88 57.19 1udm h LEU 107 Cb 0.33 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.07 1udm h LEU 107 CO -0.00 0.95 0.06 0.58 0.09 0.00 0.00 178.44 180.12 1udm h VAL 108 N -1.00 1.06 -0.48 1.22 2.07 -1.35 -1.98 116.25 115.79 1udm h VAL 108 Ca -0.02 -0.19 -0.10 0.00 0.82 0.00 0.00 66.70 67.21 1udm h VAL 108 Cb 0.87 0.89 -0.02 0.00 -1.52 0.00 0.00 31.29 31.51 1udm h VAL 108 CO -0.01 0.07 -0.12 0.50 0.02 0.00 0.00 177.57 178.03 1udm h LYS 109 N 0.20 0.88 -1.12 1.57 3.64 -1.21 -2.97 116.57 117.56 1udm h LYS 109 Ca 0.05 -0.31 0.42 0.00 -1.27 0.00 0.00 60.65 59.55 1udm h LYS 109 Cb 0.04 -0.06 -0.16 0.00 -0.41 0.00 0.00 32.23 31.64 1udm h LYS 109 CO -0.01 0.95 0.65 0.93 -2.27 0.00 0.00 179.45 179.70 1udm h GLU 110 N 0.79 0.05 0.14 1.90 4.39 -1.33 0.35 114.58 120.87 1udm h GLU 110 Ca 0.13 -0.00 -0.26 0.00 0.34 0.00 0.00 59.36 59.57 1udm h GLU 110 Cb 0.63 -0.01 0.01 0.00 -0.10 0.00 0.00 28.75 29.28 1udm h GLU 110 CO 0.04 0.03 -1.24 0.28 -1.16 0.00 0.00 179.01 176.96 1udm h VAL 111 N 0.05 1.20 -2.84 3.13 2.07 -1.66 -3.42 116.25 114.77 1udm h VAL 111 Ca 0.84 -2.47 -0.69 0.00 0.82 0.00 0.00 66.70 65.20 1udm h VAL 111 Cb 2.35 2.90 -0.19 0.00 -1.52 0.00 0.00 31.29 34.83 1udm h VAL 111 CO -0.65 0.72 0.23 -0.69 0.02 0.00 0.00 177.57 177.21 1udm s VAL 112 N -2.48 4.72 0.00 2.57 1.01 0.12 -4.74 120.40 121.61 1udm s VAL 112 Ca -0.17 -0.90 0.00 0.00 0.00 0.00 0.00 61.98 60.91 1udm s VAL 112 Cb 0.03 -4.54 0.00 0.00 0.00 0.00 0.00 36.38 31.87 1udm s VAL 112 CO 0.81 -1.21 0.00 0.00 0.00 0.00 0.00 175.10 174.69 1udm n GLN 113 N 6.60 2.70 0.22 2.72 10.64 -1.24 -4.65 117.38 134.37 1udm n GLN 113 Ca -0.07 0.00 0.07 0.00 -1.83 0.00 0.00 57.00 55.18 1udm n GLN 113 Cb 0.43 -0.92 0.49 0.00 -0.86 0.00 0.00 30.24 29.38 1udm n GLN 113 CO 0.00 0.00 0.00 -2.95 -1.83 0.00 0.00 177.06 172.28 1udm h ASN 114 N 0.00 0.00 -0.84 2.61 -1.07 -1.93 -3.44 115.58 110.91 1udm h ASN 114 Ca 0.00 0.00 -0.02 0.00 0.07 0.00 0.00 56.30 56.35 1udm h ASN 114 Cb 0.85 0.00 0.01 0.00 -2.07 0.00 0.00 38.32 37.11 1udm h ASN 114 CO 0.00 0.27 -0.01 2.22 0.07 0.00 0.00 177.43 179.98 1udm n PHE 115 N -3.76 -1.56 -0.02 4.14 -1.74 -1.26 -4.89 117.46 108.37 1udm n PHE 115 Ca -0.01 -0.03 -0.02 0.00 -0.56 0.00 0.00 57.45 56.83 1udm n PHE 115 Cb 0.37 -0.09 -0.01 0.00 1.52 0.00 0.00 39.48 41.28 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 -2.37 0.16 -3.58 1.98 0.00 0.31 -4.90 120.51 112.11 1udm n ALA 116 Ca -0.01 -0.28 -0.10 0.00 0.00 0.00 0.00 53.44 53.06 1udm n ALA 116 Cb 0.03 0.01 -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 -1.39 1.38 -0.19 0.00 2.20 -1.26 -5.04 119.74 115.44 1udm s LYS 117 Ca -0.05 -0.62 -0.22 0.00 -0.36 0.00 0.00 55.97 54.72 1udm s LYS 117 Cb 0.01 0.56 -0.02 0.00 -1.51 0.00 0.00 37.83 36.87 1udm s LYS 117 CO 0.08 -0.62 0.67 -1.83 -0.36 0.00 0.00 175.35 173.29 1udm s GLU 118 N -3.71 4.23 -0.53 4.03 1.03 -1.26 -1.67 118.70 120.83 1udm s GLU 118 Ca 0.05 0.70 -0.16 0.00 0.03 0.00 0.00 54.97 55.59 1udm s GLU 118 Cb -0.03 -3.58 0.11 0.00 -0.80 0.00 0.00 34.13 29.84 1udm s GLU 118 CO -0.06 -0.25 0.50 -0.06 -1.33 0.00 0.00 175.26 174.06 1udm s PHE 119 N 1.95 3.21 -0.70 4.83 0.40 0.32 -4.87 117.98 123.11 1udm s PHE 119 Ca 0.31 -1.12 -0.26 0.00 -0.60 0.00 0.00 56.93 55.26 1udm s PHE 119 Cb -0.16 -3.64 0.04 0.00 0.51 0.00 0.00 43.02 39.77 1udm s PHE 119 CO 0.11 -0.99 1.18 0.54 0.70 0.00 0.00 175.22 176.76 1udm s VAL 120 N 1.77 3.91 -0.01 -0.44 0.11 -1.26 0.16 120.40 124.65 1udm s VAL 120 Ca 0.05 0.23 0.02 0.00 -2.93 0.00 0.00 61.98 59.35 1udm s VAL 120 Cb -0.27 -4.84 -0.03 0.00 -1.53 0.00 0.00 36.38 29.71 1udm s VAL 120 CO 0.05 -1.70 -0.04 -0.63 -3.33 0.00 0.00 175.10 169.44 1udm s ILE 121 N 5.20 3.87 -0.00 7.04 1.01 0.18 -4.93 121.20 133.58 1udm s ILE 121 Ca 0.32 -0.66 0.00 0.00 0.00 0.00 0.00 60.65 60.31 1udm s ILE 121 Cb -0.10 -2.69 -0.00 0.00 0.01 0.00 0.00 42.46 39.67 1udm s ILE 121 CO 0.14 0.41 0.01 -1.54 0.00 0.00 0.00 174.94 173.96 1udm n SER 122 N 1.58 3.35 -4.19 3.58 3.41 -1.26 -1.75 113.62 118.34 1udm n SER 122 Ca -0.15 -0.16 -0.32 0.00 -0.26 0.00 0.00 58.87 57.97 1udm n SER 122 Cb 0.53 1.01 -0.17 0.00 -0.26 0.00 0.00 64.21 65.32 1udm n SER 122 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 1udm s ASP 123 N -1.70 3.13 0.38 4.04 2.15 -1.26 -3.66 116.67 119.75 1udm s ASP 123 Ca -0.00 -0.59 0.15 0.00 0.43 0.00 0.00 52.55 52.54 1udm s ASP 123 Cb 0.00 -1.44 1.01 0.00 -0.30 0.00 0.00 42.92 42.18 1udm s ASP 123 CO 0.01 0.10 1.81 0.03 -0.17 0.00 0.00 175.17 176.95 1udm h ARG 124 N 7.16 0.48 0.00 4.34 3.08 -1.94 0.33 114.38 127.82 1udm h ARG 124 Ca -0.29 -0.03 0.00 0.00 0.07 0.00 0.00 59.98 59.73 1udm h ARG 124 Cb 1.20 -0.11 0.00 0.00 0.08 0.00 0.00 29.97 31.15 1udm h ARG 124 CO 0.53 0.32 0.34 0.87 -1.07 0.00 0.00 179.97 180.96 1udm h LYS 125 N 0.49 0.00 0.00 0.04 1.79 -2.01 0.91 116.57 117.79 1udm h LYS 125 Ca 0.54 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 59.01 1udm h LYS 125 Cb 1.22 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.87 1udm h LYS 125 CO -0.26 0.00 -1.73 0.39 -1.08 0.00 0.00 179.45 176.77 1udm n GLU 126 N -2.24 0.61 0.11 3.15 1.02 0.11 -4.29 120.64 119.11 1udm n GLU 126 Ca -0.01 -0.15 0.10 0.00 -0.02 0.00 0.00 57.16 57.08 1udm n GLU 126 Cb 0.36 -1.42 0.46 0.00 -0.02 0.00 0.00 31.44 30.83 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 -2.06 0.51 -4.46 -4.62 7.99 0.31 -4.54 117.00 110.13 1udm n LEU 127 Ca -0.03 0.66 -0.47 0.00 -0.01 0.00 0.00 56.01 56.16 1udm n LEU 127 Cb 0.45 -0.63 -0.08 0.00 -0.11 0.00 0.00 43.42 43.05 1udm n LEU 127 CO 0.38 -0.63 1.90 -0.62 -1.51 0.00 0.00 177.39 176.91 1udm n GLU 128 N -2.10 0.86 -0.42 3.23 1.02 -1.19 -4.75 120.64 117.29 1udm n GLU 128 Ca 0.01 0.19 0.36 0.00 -0.02 0.00 0.00 57.16 57.70 1udm n GLU 128 Cb 0.15 -2.44 0.62 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 8.35 -0.04 -0.22 3.49 2.13 -1.26 0.16 120.64 133.24 1udm n GLU 129 Ca 0.45 1.21 -0.01 0.00 0.66 0.00 0.00 57.16 59.48 1udm n GLU 129 Cb 0.24 -2.34 0.11 0.00 0.27 0.00 0.00 31.44 29.72 1udm n GLU 129 CO 0.00 0.00 0.00 0.38 -0.41 0.00 0.00 177.13 177.10 1udm h ASP 130 N 0.00 0.45 -0.06 4.31 3.04 -1.94 -1.31 116.42 120.91 1udm h ASP 130 Ca 0.83 0.05 -0.11 0.00 -3.24 0.00 0.00 57.03 54.56 1udm h ASP 130 Cb 2.57 -0.03 -0.01 0.00 -1.04 0.00 0.00 39.33 40.81 1udm h ASP 130 CO -0.50 0.28 -0.30 0.15 -2.04 0.00 0.00 179.24 176.82 1udm h PHE 131 N 0.59 0.61 -0.05 4.15 3.57 0.12 -3.14 116.94 122.80 1udm h PHE 131 Ca 0.31 -0.15 0.01 0.00 3.53 0.00 0.00 57.97 61.67 1udm h PHE 131 Cb 0.28 -0.14 -0.01 0.00 2.79 0.00 0.00 35.95 38.87 1udm h PHE 131 CO -0.10 0.78 -0.00 0.82 -2.23 0.00 0.00 178.31 177.57 1udm h ILE 132 N 0.46 0.96 -0.01 1.41 1.08 -0.93 -3.10 117.51 117.38 1udm h ILE 132 Ca 0.06 -0.01 0.02 0.00 -0.39 0.00 0.00 64.86 64.54 1udm h ILE 132 Cb 0.76 0.95 -0.06 0.00 -3.07 0.00 0.00 36.82 35.40 1udm h ILE 132 CO 0.06 0.00 -0.53 0.03 -0.69 0.00 0.00 178.15 177.02 1udm h ARG 133 N 0.02 -0.63 -0.97 2.37 -0.00 -1.32 -0.70 114.38 113.15 1udm h ARG 133 Ca 0.02 0.04 0.37 0.00 -0.50 0.00 0.00 59.98 59.92 1udm h ARG 133 Cb 0.03 0.14 -0.18 0.00 0.00 0.00 0.00 29.97 29.97 1udm h ARG 133 CO -0.04 -0.42 0.40 0.45 0.00 0.00 0.00 179.97 180.36 1udm n SER 134 N -5.42 0.23 0.34 7.04 2.88 -1.18 -0.11 113.62 117.41 1udm n SER 134 Ca -0.07 1.61 -0.16 0.00 -1.33 0.00 0.00 58.87 58.92 1udm n SER 134 Cb 0.39 -0.74 -0.08 0.00 -0.75 0.00 0.00 64.21 63.03 1udm n SER 134 CO 0.00 0.00 0.00 -0.33 -1.23 0.00 0.00 175.04 173.48 1udm h GLU 135 N 0.00 -0.83 -0.90 -1.46 4.39 -1.08 -3.00 114.58 111.70 1udm h GLU 135 Ca 0.77 0.06 0.13 0.00 0.34 0.00 0.00 59.36 60.65 1udm h GLU 135 Cb 1.95 0.19 -0.07 0.00 -0.10 0.00 0.00 28.75 30.71 1udm h GLU 135 CO -0.78 -0.51 0.58 -0.07 -1.16 0.00 0.00 179.01 177.06 1udm h LEU 136 N -1.02 0.74 -0.98 1.33 3.38 -0.04 0.47 115.31 119.19 1udm h LEU 136 Ca -0.09 0.04 0.19 0.00 0.09 0.00 0.00 57.88 58.11 1udm h LEU 136 Cb 0.70 -0.11 -0.11 0.00 0.09 0.00 0.00 40.66 41.23 1udm h LEU 136 CO 0.14 0.39 0.58 0.50 0.09 0.00 0.00 178.44 180.15 1udm h LYS 137 N 0.79 0.70 -0.12 1.13 3.64 -0.66 -0.90 116.57 121.15 1udm h LYS 137 Ca 0.44 -0.04 0.00 0.00 -1.27 0.00 0.00 60.65 59.78 1udm h LYS 137 Cb 0.59 -0.16 0.00 0.00 -0.41 0.00 0.00 32.23 32.25 1udm h LYS 137 CO -0.21 0.46 0.00 0.36 -2.27 0.00 0.00 179.45 177.80 1udm n LYS 138 N -4.80 2.09 -0.10 1.90 -0.00 -0.35 -4.85 118.16 112.05 1udm n LYS 138 Ca 0.23 -2.66 -0.03 0.00 -0.00 0.00 0.00 58.31 55.85 1udm n LYS 138 Cb 0.57 -1.64 -0.02 0.00 -0.00 0.00 0.00 35.03 33.94 1udm n LYS 138 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40 1udm n ALA 139 N -0.96 -0.15 -0.93 0.58 0.00 0.15 -4.92 120.51 114.28 1udm n ALA 139 Ca 0.18 0.20 0.00 0.00 0.00 0.00 0.00 53.44 53.82 1udm n ALA 139 Cb 0.74 0.14 0.00 0.00 0.00 0.00 0.00 19.45 20.33 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 -1.06 -4.15 3.57 0.00 0.00 -1.26 -4.73 105.19 97.56 1udm n GLY 140 Ca 0.00 -0.73 -0.41 0.00 0.00 0.00 0.00 46.02 44.88 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 -0.13 0.69 2.97 -0.02 0.00 -1.26 -4.93 105.19 102.51 1udm n GLY 141 Ca 0.00 0.75 -0.31 0.00 0.00 0.00 0.00 46.02 46.46 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 9.61 2.20 0.47 4.61 0.00 -1.26 -5.11 121.76 132.27 1udm s ALA 142 Ca 1.01 -1.61 -0.23 0.00 0.00 0.00 0.00 51.96 51.13 1udm s ALA 142 Cb -0.32 -1.54 -0.07 0.00 0.00 0.00 0.00 23.12 21.19 1udm s ALA 142 CO 0.33 -1.27 1.23 -0.80 0.00 0.00 0.00 175.76 175.25 1udm s ASN 143 N 1.28 5.99 -0.03 0.00 -0.87 -1.26 -5.01 114.94 115.04 1udm s ASN 143 Ca -0.04 2.46 -0.14 0.00 -1.57 0.00 0.00 52.86 53.58 1udm s ASN 143 Cb -0.19 -2.62 -0.05 0.00 -0.02 0.00 0.00 41.25 38.37 1udm s ASN 143 CO -0.07 -1.05 0.37 -0.72 -2.57 0.00 0.00 177.10 173.05 1udm s TYR 144 N -1.44 3.69 0.27 2.20 1.13 -1.26 -4.98 117.35 116.96 1udm s TYR 144 Ca 0.64 0.91 0.01 0.00 -1.41 0.00 0.00 57.07 57.21 1udm s TYR 144 Cb -0.33 -2.25 0.62 0.00 -1.10 0.00 0.00 41.96 38.90 1udm s TYR 144 CO 0.40 0.63 1.71 0.38 -2.51 0.00 0.00 175.55 176.16 1udm h ASP 145 N 4.89 0.30 -0.94 -0.18 2.03 -2.04 -1.22 116.42 119.26 1udm h ASP 145 Ca -0.51 0.14 0.20 0.00 -0.73 0.00 0.00 57.03 56.12 1udm h ASP 145 Cb 1.22 0.12 -0.18 0.00 -0.83 0.00 0.00 39.33 39.66 1udm h ASP 145 CO 0.62 0.04 -0.19 0.00 -1.03 0.00 0.00 179.24 178.68 1udm n ALA 146 N -2.52 0.27 -2.22 4.15 0.00 -1.26 -4.18 120.51 114.75 1udm n ALA 146 Ca 0.19 1.03 -0.42 0.00 0.00 0.00 0.00 53.44 54.23 1udm n ALA 146 Cb 0.56 -0.64 -0.03 0.00 0.00 0.00 0.00 19.45 19.34 1udm n ALA 146 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 177.50 176.36 1udm s GLN 147 N -6.14 4.27 0.20 0.00 0.74 -0.46 -5.00 119.66 113.28 1udm s GLN 147 Ca -0.14 1.96 -0.25 0.00 0.05 0.00 0.00 55.36 56.99 1udm s GLN 147 Cb 0.26 -3.62 -0.08 0.00 1.10 0.00 0.00 33.01 30.67 1udm s GLN 147 CO 0.73 -0.61 0.80 -1.12 -0.55 0.00 0.00 175.29 174.55 1udm s SER 148 N 2.00 7.34 0.00 6.67 0.01 -1.26 -4.88 113.70 123.58 1udm s SER 148 Ca 0.64 1.65 0.28 0.00 1.31 0.00 0.00 55.95 59.83 1udm s SER 148 Cb -0.31 -2.50 1.07 0.00 0.21 0.00 0.00 66.02 64.49 1udm s SER 148 CO 0.26 0.13 1.76 -0.62 0.41 0.00 0.00 173.24 175.18