#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 -4.42 -0.06 1.61 7.64 -1.26 -4.95 113.62 112.18 1udm n SER 2 Ca 0.00 -0.58 -0.02 0.00 1.01 0.00 0.00 58.87 59.28 1udm n SER 2 Cb 0.00 -5.03 -0.01 0.00 -1.01 0.00 0.00 64.21 58.16 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 -2.34 0.00 -0.50 1.43 4.39 -2.04 -3.51 114.58 112.01 1udm h GLU 3 Ca -0.58 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.12 1udm h GLU 3 Cb 1.36 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 30.01 1udm h GLU 3 CO 0.54 0.04 0.00 0.41 -1.16 0.00 0.00 179.01 178.84 1udm n GLY 4 N 1.74 -0.55 0.28 -3.84 0.00 -1.26 -5.03 105.19 96.53 1udm n GLY 4 Ca -0.02 -0.65 -0.14 0.00 0.00 0.00 0.00 46.02 45.21 1udm n GLY 4 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1udm h ALA 5 N 0.00 -0.64 -1.92 4.61 0.00 -2.05 -3.41 119.26 115.85 1udm h ALA 5 Ca 0.00 -0.19 -0.57 0.00 0.00 0.00 0.00 54.91 54.15 1udm h ALA 5 Cb 0.00 0.25 -0.06 0.00 0.00 0.00 0.00 17.79 17.97 1udm h ALA 5 CO 0.00 -0.71 0.87 0.00 0.00 0.00 0.00 179.25 179.41 1udm s ALA 6 N -4.95 3.44 -0.11 0.00 0.00 -1.26 -5.02 121.76 113.86 1udm s ALA 6 Ca -0.14 -0.10 -0.04 0.00 0.00 0.00 0.00 51.96 51.68 1udm s ALA 6 Cb 0.02 -3.71 -0.04 0.00 0.00 0.00 0.00 23.12 19.39 1udm s ALA 6 CO 0.50 -1.61 0.05 -0.08 0.00 0.00 0.00 175.76 174.62 1udm s THR 7 N 3.81 4.75 -0.25 0.00 -1.32 -1.26 -5.10 115.64 116.28 1udm s THR 7 Ca 0.47 -0.07 -0.26 0.00 -1.21 0.00 0.00 61.69 60.61 1udm s THR 7 Cb -0.12 -3.04 0.11 0.00 -1.51 0.00 0.00 72.50 67.94 1udm s THR 7 CO 0.18 0.59 0.94 -0.04 -2.21 0.00 0.00 174.62 174.07 1udm s MET 8 N -0.72 0.63 1.42 7.08 -1.94 -1.26 -5.15 119.30 119.35 1udm s MET 8 Ca 0.12 0.60 0.00 0.00 -1.71 0.00 0.00 55.69 54.70 1udm s MET 8 Cb -0.12 0.30 0.00 0.00 2.01 0.00 0.00 34.83 37.03 1udm s MET 8 CO 0.02 -0.10 0.00 0.00 -0.01 0.00 0.00 175.02 174.93 1udm n ALA 9 N 2.03 0.00 -2.60 3.03 0.00 -1.26 -4.86 120.51 116.85 1udm n ALA 9 Ca -0.13 0.00 -0.21 0.00 0.00 0.00 0.00 53.44 53.10 1udm n ALA 9 Cb 0.56 0.00 -0.14 0.00 0.00 0.00 0.00 19.45 19.87 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 0.00 1.11 0.41 0.00 2.01 -1.26 -4.95 115.64 112.96 1udm s THR 10 Ca 0.00 -0.77 0.06 0.00 0.31 0.00 0.00 61.69 61.28 1udm s THR 10 Cb 0.00 -0.96 -0.07 0.00 0.01 0.00 0.00 72.50 71.49 1udm s THR 10 CO 0.00 0.18 0.02 -0.54 -0.69 0.00 0.00 174.62 173.58 1udm s LYS 11 N -0.69 1.95 0.11 4.92 -0.14 -1.07 -5.02 119.74 119.80 1udm s LYS 11 Ca 0.04 -2.13 0.04 0.00 -1.36 0.00 0.00 55.97 52.56 1udm s LYS 11 Cb -0.06 -1.49 -0.04 0.00 -1.68 0.00 0.00 37.83 34.56 1udm s LYS 11 CO 0.00 -0.13 -0.10 -1.50 -0.76 0.00 0.00 175.35 172.86 1udm s ILE 12 N -2.83 1.02 -0.44 2.17 2.07 -1.26 -0.16 121.20 121.77 1udm s ILE 12 Ca 0.31 -1.78 -0.02 0.00 -1.41 0.00 0.00 60.65 57.75 1udm s ILE 12 Cb 0.08 -1.52 0.18 0.00 0.13 0.00 0.00 42.46 41.33 1udm s ILE 12 CO 0.15 -0.62 2.35 -0.67 -1.91 0.00 0.00 174.94 174.24 1udm n ASP 13 N 0.32 6.65 -0.04 4.50 -0.08 0.79 -4.78 116.55 123.92 1udm n ASP 13 Ca -0.14 -3.24 0.01 0.00 -1.51 0.00 0.00 54.79 49.91 1udm n ASP 13 Cb 0.59 -1.13 0.02 0.00 2.34 0.00 0.00 41.12 42.94 1udm n ASP 13 CO 0.00 0.00 0.00 0.29 0.12 0.00 0.00 177.20 177.61 1udm n LYS 14 N 0.40 -0.01 0.30 -0.67 5.02 -1.26 0.25 118.16 122.19 1udm n LYS 14 Ca 0.43 0.18 -0.18 0.00 -2.02 0.00 0.00 58.31 56.72 1udm n LYS 14 Cb 0.56 -0.28 -0.10 0.00 -0.02 0.00 0.00 35.03 35.19 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 -0.96 -0.42 1.97 5.08 -1.99 0.28 114.58 118.54 1udm h GLU 15 Ca 0.06 0.07 -0.11 0.00 -1.00 0.00 0.00 59.36 58.38 1udm h GLU 15 Cb 0.11 0.22 -0.02 0.00 0.50 0.00 0.00 28.75 29.57 1udm h GLU 15 CO -0.12 -0.64 -0.18 0.00 -1.00 0.00 0.00 179.01 177.08 1udm h ALA 16 N -0.81 0.89 0.08 3.43 0.00 0.29 -3.16 119.26 119.99 1udm h ALA 16 Ca -0.06 -0.35 0.00 0.00 0.00 0.00 0.00 54.91 54.50 1udm h ALA 16 Cb 0.86 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 18.48 1udm h ALA 16 CO -0.04 0.63 -0.07 0.00 0.00 0.00 0.00 179.25 179.76 1udm h ARG 18 N -0.17 0.43 -0.18 0.00 2.43 -0.42 0.26 114.38 116.73 1udm h ARG 18 Ca 0.00 -0.03 -0.04 0.00 -0.81 0.00 0.00 59.98 59.11 1udm h ARG 18 Cb 0.16 -0.10 -0.01 0.00 -0.42 0.00 0.00 29.97 29.61 1udm h ARG 18 CO -0.02 0.28 -0.04 0.00 -1.51 0.00 0.00 179.97 178.69 1udm h ALA 19 N 1.62 0.25 -0.45 2.80 0.00 -1.39 -1.23 119.26 120.86 1udm h ALA 19 Ca 0.56 -0.24 -0.09 0.00 0.00 0.00 0.00 54.91 55.14 1udm h ALA 19 Cb 1.35 -0.07 -0.02 0.00 0.00 0.00 0.00 17.79 19.05 1udm h ALA 19 CO -0.27 0.02 -0.05 0.00 0.00 0.00 0.00 179.25 178.94 1udm h ALA 20 N 0.73 0.62 0.00 0.00 0.00 -0.52 0.19 119.26 120.28 1udm h ALA 20 Ca 0.05 -0.30 -0.02 0.00 0.00 0.00 0.00 54.91 54.63 1udm h ALA 20 Cb 0.48 -0.16 -0.00 0.00 0.00 0.00 0.00 17.79 18.10 1udm h ALA 20 CO 0.02 0.46 -0.11 -0.92 0.00 0.00 0.00 179.25 178.70 1udm h TYR 21 N 0.67 0.00 0.02 0.00 3.20 -0.57 -3.16 116.97 117.13 1udm h TYR 21 Ca 0.12 0.00 -0.21 0.00 3.14 0.00 0.00 58.73 61.78 1udm h TYR 21 Cb 0.57 0.00 -0.03 0.00 1.54 0.00 0.00 36.73 38.81 1udm h TYR 21 CO 0.04 0.11 -1.15 -0.91 -1.64 0.00 0.00 178.16 174.61 1udm h ASN 22 N 0.00 0.05 -0.27 -2.11 2.35 -0.87 -2.63 115.58 112.10 1udm h ASN 22 Ca -0.00 -0.63 0.08 0.00 -0.55 0.00 0.00 56.30 55.20 1udm h ASN 22 Cb 0.48 -0.02 -0.01 0.00 0.05 0.00 0.00 38.32 38.82 1udm h ASN 22 CO 0.01 1.46 0.75 -0.07 -1.65 0.00 0.00 177.43 177.94 1udm h LEU 23 N -0.88 0.00 0.00 1.61 3.38 -0.61 0.46 115.31 119.27 1udm h LEU 23 Ca -0.30 0.00 -0.33 0.00 0.09 0.00 0.00 57.88 57.34 1udm h LEU 23 Cb 1.34 0.00 -0.06 0.00 0.09 0.00 0.00 40.66 42.03 1udm h LEU 23 CO -0.14 0.00 -2.25 0.55 0.09 0.00 0.00 178.44 176.68 1udm n VAL 24 N -2.96 1.26 0.23 1.22 3.14 -1.21 -3.93 118.33 116.09 1udm n VAL 24 Ca 0.05 -0.51 0.09 0.00 -2.96 0.00 0.00 64.34 61.01 1udm n VAL 24 Cb 0.86 -1.22 0.57 0.00 -1.06 0.00 0.00 33.84 32.99 1udm n VAL 24 CO 0.00 0.00 0.00 -0.09 -6.46 0.00 0.00 176.83 170.28 1udm h ARG 25 N 0.00 0.00 -7.71 1.45 2.43 -0.24 -3.44 114.38 106.87 1udm h ARG 25 Ca -0.49 0.00 -0.45 0.00 -0.81 0.00 0.00 59.98 58.23 1udm h ARG 25 Cb 1.79 0.00 0.14 0.00 -0.42 0.00 0.00 29.97 31.49 1udm h ARG 25 CO -0.07 0.21 0.39 0.34 -1.51 0.00 0.00 179.97 179.33 1udm s ASP 26 N -6.48 3.56 -0.11 -3.80 2.15 0.13 -5.03 116.67 107.09 1udm s ASP 26 Ca -0.03 0.33 0.09 0.00 0.43 0.00 0.00 52.55 53.38 1udm s ASP 26 Cb 0.13 -0.52 -0.13 0.00 -0.30 0.00 0.00 42.92 42.11 1udm s ASP 26 CO 0.64 -2.46 0.03 -0.90 -0.17 0.00 0.00 175.17 172.32 1udm n ASP 27 N -3.57 2.39 0.21 -0.34 5.75 -1.26 -4.49 116.55 115.23 1udm n ASP 27 Ca 0.13 -0.00 0.15 0.00 -0.01 0.00 0.00 54.79 55.06 1udm n ASP 27 Cb 0.60 0.73 0.64 0.00 -1.03 0.00 0.00 41.12 42.06 1udm n ASP 27 CO 0.00 0.00 0.00 1.23 -0.11 0.00 0.00 177.20 178.32 1udm h GLY 28 N 2.07 0.00 -7.23 6.12 0.00 -1.96 -3.39 103.07 98.68 1udm h GLY 28 Ca -0.29 0.00 -0.74 0.00 0.00 0.00 0.00 47.33 46.30 1udm h GLY 28 CO 0.01 0.00 -0.28 -0.56 0.00 0.00 0.00 176.54 175.72 1udm s SER 29 N -4.92 6.16 0.63 0.19 0.01 -1.26 -4.92 113.70 109.59 1udm s SER 29 Ca 0.02 -1.48 0.20 0.00 1.31 0.00 0.00 55.95 56.00 1udm s SER 29 Cb 0.09 -2.20 0.81 0.00 0.21 0.00 0.00 66.02 64.94 1udm s SER 29 CO 0.45 -0.73 1.37 0.00 0.41 0.00 0.00 173.24 174.73 1udm h ALA 30 N 8.81 2.42 -2.17 1.44 0.00 -1.82 -3.41 119.26 124.54 1udm h ALA 30 Ca -0.29 -0.02 -0.60 0.00 0.00 0.00 0.00 54.91 54.00 1udm h ALA 30 Cb 1.11 0.04 0.06 0.00 0.00 0.00 0.00 17.79 18.99 1udm h ALA 30 CO 0.94 -1.25 0.75 0.28 0.00 0.00 0.00 179.25 179.97 1udm n VAL 31 N -3.06 0.02 0.00 0.00 0.31 -1.25 -4.30 118.33 110.05 1udm n VAL 31 Ca 0.12 -0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.45 1udm n VAL 31 Cb 1.14 -1.43 -0.00 0.00 -0.91 0.00 0.00 33.84 32.64 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 3.34 0.00 -4.06 2.52 -5.35 -0.93 -3.95 119.36 110.93 1udm n ILE 32 Ca 0.17 -0.08 -0.13 0.00 -0.27 0.00 0.00 62.75 62.44 1udm n ILE 32 Cb 0.27 0.58 -0.12 0.00 -1.74 0.00 0.00 39.64 38.64 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 -1.83 0.57 -0.15 4.28 1.48 -0.96 -0.28 118.94 122.05 1udm s TRP 33 Ca -0.00 -0.45 -0.07 0.00 -1.06 0.00 0.00 56.10 54.52 1udm s TRP 33 Cb 0.00 -0.35 0.06 0.00 -1.16 0.00 0.00 33.47 32.02 1udm s TRP 33 CO 0.00 -0.09 0.35 0.14 -4.06 0.00 0.00 176.95 173.29 1udm s VAL 34 N -1.23 -0.19 0.21 -0.66 -7.23 0.12 -2.89 120.40 108.52 1udm s VAL 34 Ca -0.09 0.15 0.00 0.00 -1.81 0.00 0.00 61.98 60.23 1udm s VAL 34 Cb -0.09 -0.54 -0.04 0.00 0.56 0.00 0.00 36.38 36.28 1udm s VAL 34 CO 0.00 0.06 0.38 0.42 -0.31 0.00 0.00 175.10 175.65 1udm s THR 35 N 1.72 5.22 -0.32 5.32 -4.23 -1.09 0.39 115.64 122.66 1udm s THR 35 Ca -0.07 -0.49 -0.01 0.00 -1.18 0.00 0.00 61.69 59.94 1udm s THR 35 Cb -0.10 -3.76 0.11 0.00 1.34 0.00 0.00 72.50 70.09 1udm s THR 35 CO -0.11 -0.20 0.14 -0.36 -0.54 0.00 0.00 174.62 173.54 1udm s PHE 36 N -1.89 1.19 0.62 3.99 0.40 0.81 0.62 117.98 123.72 1udm s PHE 36 Ca 0.37 -1.53 0.08 0.00 -0.60 0.00 0.00 56.93 55.25 1udm s PHE 36 Cb -0.11 -1.39 0.11 0.00 0.51 0.00 0.00 43.02 42.14 1udm s PHE 36 CO 0.29 -0.85 0.86 2.89 0.70 0.00 0.00 175.22 179.12 1udm n ARG 37 N 4.74 0.44 -4.02 0.44 1.85 -0.56 -2.21 116.66 117.35 1udm n ARG 37 Ca -0.00 -3.08 -0.31 0.00 -1.00 0.00 0.00 57.85 53.45 1udm n ARG 37 Cb 0.41 -0.34 -0.06 0.00 -1.05 0.00 0.00 32.46 31.42 1udm n ARG 37 CO 0.00 0.00 0.00 0.71 -0.01 0.00 0.00 177.63 178.33 1udm s TYR 38 N -2.76 3.30 -0.05 2.89 1.51 -1.26 -0.15 117.35 120.82 1udm s TYR 38 Ca 0.63 0.14 0.08 0.00 -1.01 0.00 0.00 57.07 56.91 1udm s TYR 38 Cb -0.05 -1.67 0.12 0.00 -0.11 0.00 0.00 41.96 40.24 1udm s TYR 38 CO 0.40 0.55 1.02 -3.47 -1.11 0.00 0.00 175.55 172.94 1udm n ASP 39 N 0.49 1.85 0.00 2.29 2.03 -0.76 -4.93 116.55 117.52 1udm n ASP 39 Ca -0.08 -2.35 0.00 0.00 0.52 0.00 0.00 54.79 52.87 1udm n ASP 39 Cb 0.52 -0.18 0.00 0.00 -0.72 0.00 0.00 41.12 40.73 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 -0.80 0.45 2.26 0.27 0.00 -1.26 -4.84 105.19 101.27 1udm n GLY 40 Ca 0.06 -0.53 -0.10 0.00 0.00 0.00 0.00 46.02 45.45 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 -0.22 -3.66 4.61 0.00 -1.26 -4.99 120.51 114.98 1udm n ALA 41 Ca 0.00 0.13 -0.07 0.00 0.00 0.00 0.00 53.44 53.51 1udm n ALA 41 Cb 0.00 -1.31 -0.08 0.00 0.00 0.00 0.00 19.45 18.05 1udm n ALA 41 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.50 178.49 1udm s THR 42 N -2.45 -0.57 0.17 0.00 2.01 -1.26 -2.60 115.64 110.94 1udm s THR 42 Ca 0.00 0.10 -0.30 0.00 0.31 0.00 0.00 61.69 61.80 1udm s THR 42 Cb 0.00 -0.76 -0.08 0.00 0.01 0.00 0.00 72.50 71.67 1udm s THR 42 CO 0.00 0.04 1.15 -0.63 -0.69 0.00 0.00 174.62 174.49 1udm s ILE 43 N 2.39 3.76 -0.08 1.82 1.01 0.78 -1.83 121.20 129.04 1udm s ILE 43 Ca -0.05 1.47 -0.11 0.00 0.00 0.00 0.00 60.65 61.96 1udm s ILE 43 Cb -0.11 -3.94 0.02 0.00 0.01 0.00 0.00 42.46 38.45 1udm s ILE 43 CO -0.15 0.23 0.28 0.68 0.00 0.00 0.00 174.94 175.98 1udm s VAL 44 N -0.02 0.02 -0.23 2.92 -7.23 0.78 -0.14 120.40 116.49 1udm s VAL 44 Ca 0.52 -0.18 -0.36 0.00 -1.81 0.00 0.00 61.98 60.15 1udm s VAL 44 Cb -0.31 -0.46 -0.12 0.00 0.56 0.00 0.00 36.38 36.05 1udm s VAL 44 CO 0.35 -0.10 1.96 -2.65 -0.31 0.00 0.00 175.10 174.35 1udm n PRO 45 N 2.40 1.53 0.00 4.82 -0.02 -1.26 -1.49 135.00 140.97 1udm n PRO 45 Ca -0.16 0.52 0.00 0.00 -2.02 0.00 0.00 63.50 61.84 1udm n PRO 45 Cb 0.57 -2.46 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 5.12 1.37 3.71 -1.23 0.00 0.20 -4.82 105.19 109.54 1udm n GLY 46 Ca 0.30 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 46.03 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 2.23 -0.27 1.61 1.01 -1.26 -4.85 116.67 114.15 1udm s ASP 47 Ca 0.00 0.78 -0.26 0.00 0.71 0.00 0.00 52.55 53.78 1udm s ASP 47 Cb 0.00 -1.18 0.14 0.00 1.01 0.00 0.00 42.92 42.89 1udm s ASP 47 CO 0.00 -3.33 1.11 -1.58 0.21 0.00 0.00 175.17 171.58 1udm s GLN 48 N -5.34 0.43 0.00 8.23 0.74 -1.26 -2.67 119.66 119.79 1udm s GLN 48 Ca 0.68 0.41 0.00 0.00 0.05 0.00 0.00 55.36 56.51 1udm s GLN 48 Cb -0.12 0.21 0.00 0.00 1.10 0.00 0.00 33.01 34.19 1udm s GLN 48 CO 0.55 -0.07 0.00 0.41 -0.55 0.00 0.00 175.29 175.63 1udm n GLY 49 N 1.81 -0.15 0.01 2.59 0.00 -1.14 -5.00 105.19 103.30 1udm n GLY 49 Ca -0.11 -1.10 0.11 0.00 0.00 0.00 0.00 46.02 44.92 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 -0.52 3.22 -2.63 4.61 0.00 -1.26 -2.20 120.51 121.73 1udm n ALA 50 Ca 0.00 -0.52 -0.43 0.00 0.00 0.00 0.00 53.44 52.49 1udm n ALA 50 Cb 0.00 -0.78 -0.04 0.00 0.00 0.00 0.00 19.45 18.63 1udm n ALA 50 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 1udm s ASP 51 N -4.22 6.37 0.58 0.00 1.11 -1.26 -4.58 116.67 114.67 1udm s ASP 51 Ca -0.04 -0.23 0.28 0.00 0.18 0.00 0.00 52.55 52.74 1udm s ASP 51 Cb 0.14 -2.46 1.54 0.00 1.07 0.00 0.00 42.92 43.21 1udm s ASP 51 CO 0.89 -1.27 2.01 0.22 1.18 0.00 0.00 175.17 178.20 1udm h TYR 52 N 9.35 0.00 0.00 4.23 5.03 -1.99 0.38 116.97 133.96 1udm h TYR 52 Ca -0.26 0.00 -0.01 0.00 2.58 0.00 0.00 58.73 61.04 1udm h TYR 52 Cb 1.07 0.00 -0.00 0.00 1.55 0.00 0.00 36.73 39.35 1udm h TYR 52 CO 0.93 0.00 -0.05 1.96 -1.32 0.00 0.00 178.16 179.69 1udm h GLN 53 N 0.00 0.00 0.00 1.82 1.08 -2.00 -2.52 115.11 113.50 1udm h GLN 53 Ca 0.16 0.00 -0.15 0.00 -1.45 0.00 0.00 58.65 57.21 1udm h GLN 53 Cb 0.82 0.00 -0.02 0.00 -0.05 0.00 0.00 27.48 28.23 1udm h GLN 53 CO -0.00 0.05 -0.75 0.45 -0.95 0.00 0.00 178.83 177.63 1udm h HIS 54 N 0.00 0.00 0.04 2.96 3.86 -0.64 -3.16 115.15 118.21 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 0.51 0.00 0.02 0.00 1.06 0.00 0.00 27.41 29.00 1udm h HIS 54 CO 0.00 0.73 -0.74 0.35 0.86 0.00 0.00 177.93 179.13 1udm h PHE 55 N 0.00 0.66 0.00 2.45 3.57 -1.44 -3.20 116.94 118.98 1udm h PHE 55 Ca -0.01 -0.39 0.00 0.00 3.53 0.00 0.00 57.97 61.10 1udm h PHE 55 Cb 1.56 -0.06 0.00 0.00 2.79 0.00 0.00 35.95 40.24 1udm h PHE 55 CO 0.00 1.23 0.00 0.82 -2.23 0.00 0.00 178.31 178.13 1udm h ILE 56 N -0.10 0.00 -0.05 1.41 2.04 -1.60 -1.17 117.51 118.05 1udm h ILE 56 Ca -0.11 -0.23 0.00 0.00 1.00 0.00 0.00 64.86 65.53 1udm h ILE 56 Cb 1.47 1.06 0.00 0.00 -0.74 0.00 0.00 36.82 38.61 1udm h ILE 56 CO 0.14 0.00 0.00 0.00 0.00 0.00 0.00 178.15 178.29 1udm n GLN 57 N -2.70 1.35 -0.06 2.37 1.13 -1.19 -3.60 117.38 114.67 1udm n GLN 57 Ca -0.00 -0.52 -0.06 0.00 -1.94 0.00 0.00 57.00 54.48 1udm n GLN 57 Cb 0.18 -1.41 -0.09 0.00 0.11 0.00 0.00 30.24 29.03 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 -0.32 2.02 -2.55 -1.09 1.13 -0.45 -4.94 117.38 111.18 1udm n GLN 58 Ca 0.18 0.00 -0.43 0.00 -1.94 0.00 0.00 57.00 54.81 1udm n GLN 58 Cb 0.21 -1.29 -0.02 0.00 0.11 0.00 0.00 30.24 29.25 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 4.09 0.87 -2.00 0.00 -4.23 -1.26 -4.94 115.64 108.17 1udm s THR 60 Ca 0.50 -2.00 0.18 0.00 -1.18 0.00 0.00 61.69 59.18 1udm s THR 60 Cb -0.13 -2.64 0.50 0.00 1.34 0.00 0.00 72.50 71.58 1udm s THR 60 CO 0.21 0.00 1.53 -0.90 -0.54 0.00 0.00 174.62 174.92 1udm n ASP 61 N -0.81 0.00 -0.06 3.99 5.68 -1.26 -2.43 116.55 121.66 1udm n ASP 61 Ca -0.03 -0.99 0.09 0.00 -0.50 0.00 0.00 54.79 53.36 1udm n ASP 61 Cb 0.66 0.00 0.12 0.00 -1.14 0.00 0.00 41.12 40.76 1udm n ASP 61 CO 0.00 0.00 0.00 0.47 -1.33 0.00 0.00 177.20 176.34 1udm n ASP 62 N -0.86 2.29 -3.60 -1.12 8.00 -1.26 -2.99 116.55 117.01 1udm n ASP 62 Ca 0.13 -2.94 -0.16 0.00 0.71 0.00 0.00 54.79 52.54 1udm n ASP 62 Cb 0.06 -0.37 -0.07 0.00 -0.02 0.00 0.00 41.12 40.72 1udm n ASP 62 CO 0.00 0.00 0.00 0.54 -0.39 0.00 0.00 177.20 177.35 1udm s VAL 63 N -2.61 0.02 -0.06 2.53 0.11 -1.02 -5.01 120.40 114.37 1udm s VAL 63 Ca 0.28 -0.21 -0.03 0.00 -2.93 0.00 0.00 61.98 59.09 1udm s VAL 63 Cb 0.24 -0.89 0.03 0.00 -1.53 0.00 0.00 36.38 34.23 1udm s VAL 63 CO 0.03 -0.11 0.13 0.00 -3.33 0.00 0.00 175.10 171.82 1udm s ARG 64 N -1.58 0.11 0.08 1.54 3.03 -1.26 -1.42 118.95 119.43 1udm s ARG 64 Ca -0.10 0.29 -0.27 0.00 2.03 0.00 0.00 55.73 57.67 1udm s ARG 64 Cb -0.02 -0.09 0.09 0.00 -1.03 0.00 0.00 34.95 33.90 1udm s ARG 64 CO 0.05 -0.11 1.11 -0.48 -1.13 0.00 0.00 175.30 174.74 1udm s LEU 65 N 0.76 -0.12 0.47 -1.89 -0.00 0.23 -4.68 118.68 113.45 1udm s LEU 65 Ca -0.06 -0.28 -0.11 0.00 -0.00 0.00 0.00 54.13 53.68 1udm s LEU 65 Cb -0.08 1.80 -0.06 0.00 -0.00 0.00 0.00 46.19 47.85 1udm s LEU 65 CO -0.04 -0.62 0.85 -0.36 -0.00 0.00 0.00 176.35 176.18 1udm s PHE 66 N -2.89 3.51 -0.29 3.48 0.40 -0.94 0.47 117.98 121.73 1udm s PHE 66 Ca 0.13 1.13 -0.02 0.00 -0.60 0.00 0.00 56.93 57.56 1udm s PHE 66 Cb 0.02 -2.53 0.12 0.00 0.51 0.00 0.00 43.02 41.13 1udm s PHE 66 CO -0.01 -0.27 0.21 0.00 0.70 0.00 0.00 175.22 175.85 1udm s ALA 67 N -2.61 0.11 -0.30 5.36 0.00 0.18 -0.14 121.76 124.37 1udm s ALA 67 Ca 0.53 -0.72 -0.23 0.00 0.00 0.00 0.00 51.96 51.54 1udm s ALA 67 Cb -0.10 -1.58 -0.00 0.00 0.00 0.00 0.00 23.12 21.43 1udm s ALA 67 CO 0.37 -1.68 0.76 0.12 0.00 0.00 0.00 175.76 175.33 1udm s PHE 68 N 2.22 3.21 0.02 0.00 2.19 0.16 0.56 117.98 126.35 1udm s PHE 68 Ca 0.09 0.79 0.07 0.00 0.33 0.00 0.00 56.93 58.21 1udm s PHE 68 Cb -0.15 -3.16 -0.02 0.00 -1.31 0.00 0.00 43.02 38.38 1udm s PHE 68 CO -0.35 -0.53 -0.21 0.08 1.83 0.00 0.00 175.22 176.04 1udm s VAL 69 N 2.88 1.70 -0.11 3.12 1.01 -1.06 0.13 120.40 128.06 1udm s VAL 69 Ca 0.31 -1.08 -0.17 0.00 0.00 0.00 0.00 61.98 61.04 1udm s VAL 69 Cb -0.14 -1.45 -0.04 0.00 0.00 0.00 0.00 36.38 34.75 1udm s VAL 69 CO 0.12 0.33 0.44 -0.60 0.00 0.00 0.00 175.10 175.40 1udm s ARG 70 N -0.88 4.27 -0.24 2.72 3.52 0.62 -2.60 118.95 126.36 1udm s ARG 70 Ca 0.08 0.40 0.01 0.00 -0.13 0.00 0.00 55.73 56.09 1udm s ARG 70 Cb -0.09 -3.40 0.06 0.00 -1.56 0.00 0.00 34.95 29.96 1udm s ARG 70 CO 0.01 0.25 -0.06 -0.06 -0.81 0.00 0.00 175.30 174.63 1udm s PHE 71 N 0.35 2.56 -0.67 5.12 0.40 0.83 -4.97 117.98 121.60 1udm s PHE 71 Ca 0.24 -1.89 -0.24 0.00 -0.60 0.00 0.00 56.93 54.45 1udm s PHE 71 Cb -0.15 -1.68 0.06 0.00 0.51 0.00 0.00 43.02 41.76 1udm s PHE 71 CO 0.10 -0.80 1.03 -0.08 0.70 0.00 0.00 175.22 176.17 1udm s THR 72 N 1.34 4.19 -0.00 0.64 -1.32 -1.26 -0.04 115.64 119.19 1udm s THR 72 Ca -0.06 -0.17 0.00 0.00 -1.21 0.00 0.00 61.69 60.26 1udm s THR 72 Cb -0.19 -4.73 -0.00 0.00 -1.51 0.00 0.00 72.50 66.07 1udm s THR 72 CO -0.06 -1.54 0.00 1.07 -2.21 0.00 0.00 174.62 171.88 1udm n THR 73 N 6.04 0.00 -0.20 5.08 5.66 -1.26 -4.82 114.28 124.78 1udm n THR 73 Ca -0.02 -0.00 -0.06 0.00 -3.05 0.00 0.00 64.05 60.92 1udm n THR 73 Cb 0.46 -0.97 -0.05 0.00 -1.55 0.00 0.00 70.33 68.22 1udm n THR 73 CO 0.00 0.00 0.00 1.23 -3.05 0.00 0.00 175.07 173.25 1udm h GLY 74 N 0.00 -1.67 -6.19 1.09 0.00 -1.75 -3.45 103.07 91.09 1udm h GLY 74 Ca -0.00 0.94 -0.46 0.00 0.00 0.00 0.00 47.33 47.81 1udm h GLY 74 CO 0.00 -0.45 -0.74 1.34 0.00 0.00 0.00 176.54 176.69 1udm n ASP 75 N -4.21 -5.12 -3.37 0.19 2.03 -1.15 -4.88 116.55 100.04 1udm n ASP 75 Ca 0.01 -0.73 -0.13 0.00 0.52 0.00 0.00 54.79 54.46 1udm n ASP 75 Cb 0.15 -4.07 -0.04 0.00 -0.72 0.00 0.00 41.12 36.44 1udm n ASP 75 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 1udm s ALA 76 N -3.29 0.40 0.06 -1.67 0.00 -0.68 -5.06 121.76 111.52 1udm s ALA 76 Ca 0.65 -1.31 -0.38 0.00 0.00 0.00 0.00 51.96 50.93 1udm s ALA 76 Cb -0.32 1.09 -0.21 0.00 0.00 0.00 0.00 23.12 23.68 1udm s ALA 76 CO 0.80 -0.82 1.57 0.52 0.00 0.00 0.00 175.76 177.83 1udm h MET 77 N 2.14 -1.28 0.22 0.00 2.86 -2.00 -3.36 114.93 113.50 1udm h MET 77 Ca -0.29 0.09 -0.01 0.00 -2.06 0.00 0.00 59.70 57.43 1udm h MET 77 Cb 1.24 0.29 0.00 0.00 0.06 0.00 0.00 31.60 33.20 1udm h MET 77 CO 0.39 -0.86 -0.10 0.77 1.06 0.00 0.00 176.91 178.17 1udm h SER 78 N -1.33 -0.25 -2.92 1.22 0.02 -1.98 -3.42 113.55 104.90 1udm h SER 78 Ca -0.14 0.01 -0.57 0.00 -0.84 0.00 0.00 61.79 60.25 1udm h SER 78 Cb 1.03 0.06 -0.04 0.00 0.14 0.00 0.00 62.40 63.59 1udm h SER 78 CO 0.22 -0.08 1.15 -0.54 -1.14 0.00 0.00 176.83 176.44 1udm s LYS 79 N -2.80 3.57 0.00 3.45 3.01 -1.26 -4.88 119.74 120.84 1udm s LYS 79 Ca -0.04 1.33 0.00 0.00 -1.01 0.00 0.00 55.97 56.25 1udm s LYS 79 Cb 0.00 -4.08 0.00 0.00 -1.01 0.00 0.00 37.83 32.75 1udm s LYS 79 CO 0.13 -1.56 0.00 -2.13 0.51 0.00 0.00 175.35 172.29 1udm n ARG 80 N 8.04 0.00 -3.81 1.68 3.00 -1.26 -1.69 116.66 122.62 1udm n ARG 80 Ca 0.19 0.03 -0.09 0.00 -0.00 0.00 0.00 57.85 57.98 1udm n ARG 80 Cb 0.47 -0.51 -0.07 0.00 0.00 0.00 0.00 32.46 32.35 1udm n ARG 80 CO 0.00 0.00 0.00 -1.12 0.00 0.00 0.00 177.63 176.51 1udm s SER 81 N -3.87 0.03 0.40 6.15 0.01 -1.26 -3.52 113.70 111.65 1udm s SER 81 Ca 0.00 -0.55 0.01 0.00 1.31 0.00 0.00 55.95 56.72 1udm s SER 81 Cb 0.00 0.36 -0.00 0.00 0.21 0.00 0.00 66.02 66.59 1udm s SER 81 CO 0.00 -0.74 0.04 0.29 0.41 0.00 0.00 173.24 173.24 1udm n LYS 82 N -0.03 0.86 -3.96 12.44 5.02 0.94 -4.94 118.16 128.50 1udm n LYS 82 Ca -0.16 -3.05 -0.12 0.00 -2.02 0.00 0.00 58.31 52.97 1udm n LYS 82 Cb 0.62 1.07 -0.01 0.00 -0.02 0.00 0.00 35.03 36.70 1udm n LYS 82 CO 0.00 0.00 0.00 -0.06 -0.52 0.00 0.00 177.40 176.82 1udm s PHE 83 N -2.64 0.59 -0.29 2.13 0.40 -1.26 -0.12 117.98 116.79 1udm s PHE 83 Ca 0.06 -1.02 -0.17 0.00 -0.60 0.00 0.00 56.93 55.19 1udm s PHE 83 Cb 0.00 0.35 0.15 0.00 0.51 0.00 0.00 43.02 44.04 1udm s PHE 83 CO 0.04 -1.33 1.03 0.00 0.70 0.00 0.00 175.22 175.67 1udm s ALA 84 N -2.79 -2.29 -0.87 5.36 0.00 -1.07 -1.62 121.76 118.49 1udm s ALA 84 Ca 0.23 2.12 -0.21 0.00 0.00 0.00 0.00 51.96 54.10 1udm s ALA 84 Cb -0.03 -1.71 0.09 0.00 0.00 0.00 0.00 23.12 21.47 1udm s ALA 84 CO 0.16 -0.32 1.16 -1.17 0.00 0.00 0.00 175.76 175.58 1udm s LEU 85 N 1.12 4.47 -0.65 0.00 2.96 -1.02 -2.57 118.68 122.99 1udm s LEU 85 Ca -0.07 -1.57 -0.27 0.00 -0.22 0.00 0.00 54.13 52.01 1udm s LEU 85 Cb -0.04 -2.45 -0.00 0.00 0.50 0.00 0.00 46.19 44.20 1udm s LEU 85 CO -0.13 -1.29 1.68 -0.63 -1.32 0.00 0.00 176.35 174.65 1udm s ILE 86 N 3.66 3.47 -0.73 6.68 1.01 0.19 0.34 121.20 135.83 1udm s ILE 86 Ca 0.33 0.27 -0.26 0.00 0.00 0.00 0.00 60.65 60.99 1udm s ILE 86 Cb -0.07 -4.25 0.04 0.00 0.01 0.00 0.00 42.46 38.19 1udm s ILE 86 CO -0.03 -1.20 1.23 -0.89 0.00 0.00 0.00 174.94 174.05 1udm s THR 87 N 8.02 3.81 0.18 2.92 2.01 0.45 0.50 115.64 133.53 1udm s THR 87 Ca 0.57 0.31 -0.24 0.00 0.31 0.00 0.00 61.69 62.64 1udm s THR 87 Cb -0.11 -4.88 -0.08 0.00 0.01 0.00 0.00 72.50 67.43 1udm s THR 87 CO 0.19 -1.79 0.78 0.86 -0.69 0.00 0.00 174.62 173.96 1udm s TRP 88 N 5.49 3.85 -0.29 4.92 -0.11 0.18 -0.68 118.94 132.29 1udm s TRP 88 Ca 0.33 1.60 0.00 0.00 1.22 0.00 0.00 56.10 59.25 1udm s TRP 88 Cb -0.09 -2.75 0.14 0.00 -1.50 0.00 0.00 33.47 29.27 1udm s TRP 88 CO 0.14 0.47 0.32 0.42 -4.62 0.00 0.00 176.95 173.68 1udm s ILE 89 N -1.24 -0.45 -0.10 5.86 1.01 -0.50 -0.60 121.20 125.18 1udm s ILE 89 Ca 0.38 -0.45 -0.32 0.00 0.00 0.00 0.00 60.65 60.26 1udm s ILE 89 Cb -0.22 -0.99 -0.15 0.00 0.01 0.00 0.00 42.46 41.11 1udm s ILE 89 CO 0.25 -0.43 0.92 0.61 0.00 0.00 0.00 174.94 176.29 1udm n GLY 90 N 5.32 -0.12 0.00 6.18 0.00 -0.51 -4.40 105.19 111.66 1udm n GLY 90 Ca -0.01 0.63 0.07 0.00 0.00 0.00 0.00 46.02 46.71 1udm n GLY 90 CO 0.00 0.00 0.00 -1.84 0.00 0.00 0.00 173.32 171.48 1udm n GLU 91 N 1.65 0.35 -0.04 1.61 0.00 -1.23 -2.01 120.64 120.97 1udm n GLU 91 Ca 0.17 0.06 -0.01 0.00 0.00 0.00 0.00 57.16 57.39 1udm n GLU 91 Cb 0.03 -1.50 -0.10 0.00 0.00 0.00 0.00 31.44 29.87 1udm n GLU 91 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.13 173.66 1udm n ASP 92 N -1.11 1.96 -4.52 -1.84 2.03 -1.18 -5.02 116.55 106.86 1udm n ASP 92 Ca 0.09 0.00 -0.39 0.00 0.52 0.00 0.00 54.79 55.01 1udm n ASP 92 Cb 0.07 1.15 0.03 0.00 -0.72 0.00 0.00 41.12 41.65 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 -2.24 2.49 -1.85 5.18 0.24 -0.85 -4.85 118.33 116.44 1udm n VAL 93 Ca -0.12 -0.50 -0.42 0.00 -2.04 0.00 0.00 64.34 61.26 1udm n VAL 93 Cb 0.66 -0.85 -0.03 0.00 -1.47 0.00 0.00 33.84 32.16 1udm n VAL 93 CO 0.00 0.00 0.00 -0.44 -2.14 0.00 0.00 176.83 174.25 1udm s SER 94 N -1.05 6.50 0.19 -1.34 0.01 -1.26 -4.85 113.70 111.89 1udm s SER 94 Ca 0.68 2.74 -0.02 0.00 1.31 0.00 0.00 55.95 60.66 1udm s SER 94 Cb -0.49 -2.60 0.40 0.00 0.21 0.00 0.00 66.02 63.53 1udm s SER 94 CO 0.54 -0.88 1.03 0.61 0.41 0.00 0.00 173.24 174.96 1udm n GLY 95 N 3.59 -1.01 0.16 3.44 0.00 -1.26 -0.66 105.19 109.44 1udm n GLY 95 Ca 0.14 0.68 -0.04 0.00 0.00 0.00 0.00 46.02 46.80 1udm n GLY 95 CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22 1udm n LEU 96 N -4.99 -0.40 -0.31 0.99 -0.00 -1.26 0.64 117.00 111.68 1udm n LEU 96 Ca 0.13 1.20 0.16 0.00 -0.00 0.00 0.00 56.01 57.50 1udm n LEU 96 Cb 0.41 -0.35 0.35 0.00 -0.00 0.00 0.00 43.42 43.83 1udm n LEU 96 CO -0.07 -0.81 1.01 1.56 -0.00 0.00 0.00 177.39 179.08 1udm h GLN 97 N 0.00 0.26 -0.01 1.96 1.08 -1.25 1.06 115.11 118.21 1udm h GLN 97 Ca 0.06 -0.02 -0.06 0.00 -1.45 0.00 0.00 58.65 57.18 1udm h GLN 97 Cb 0.15 -0.06 -0.01 0.00 -0.05 0.00 0.00 27.48 27.52 1udm h GLN 97 CO -0.35 0.17 -0.29 -0.09 -0.95 0.00 0.00 178.83 177.32 1udm h ARG 98 N 0.27 0.02 0.00 1.46 1.12 0.23 0.36 114.38 117.84 1udm h ARG 98 Ca 0.61 -0.01 0.00 0.00 -1.11 0.00 0.00 59.98 59.48 1udm h ARG 98 Cb 1.29 -0.00 0.00 0.00 -0.01 0.00 0.00 29.97 31.24 1udm h ARG 98 CO -0.63 0.31 0.00 0.00 -3.11 0.00 0.00 179.97 176.54 1udm h ALA 99 N 1.69 1.00 0.00 2.80 0.00 0.41 -3.29 119.26 121.87 1udm h ALA 99 Ca 0.00 0.00 -0.07 0.00 0.00 0.00 0.00 54.91 54.84 1udm h ALA 99 Cb 0.52 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.30 1udm h ALA 99 CO 0.04 0.00 -1.13 1.63 0.00 0.00 0.00 179.25 179.79 1udm n LYS 100 N -2.99 0.53 -0.26 0.00 4.76 -0.42 -4.04 118.16 115.74 1udm n LYS 100 Ca 0.03 0.28 0.24 0.00 -2.87 0.00 0.00 58.31 55.99 1udm n LYS 100 Cb 0.46 -1.49 0.44 0.00 -1.84 0.00 0.00 35.03 32.60 1udm n LYS 100 CO 0.00 0.00 0.00 2.41 -1.37 0.00 0.00 177.40 178.44 1udm n THR 101 N -4.46 -0.34 -0.03 -0.18 -1.04 0.12 0.25 114.28 108.60 1udm n THR 101 Ca -0.19 1.66 -0.12 0.00 -2.04 0.00 0.00 64.05 63.37 1udm n THR 101 Cb 0.53 -2.66 0.02 0.00 -1.82 0.00 0.00 70.33 66.40 1udm n THR 101 CO 0.00 0.00 0.00 1.23 -0.64 0.00 0.00 175.07 175.66 1udm h GLY 102 N 0.00 0.74 1.43 3.41 0.00 -1.78 -2.93 103.07 103.94 1udm h GLY 102 Ca 0.66 -0.87 -0.17 0.00 0.00 0.00 0.00 47.33 46.95 1udm h GLY 102 CO -0.64 0.78 -0.58 -0.84 0.00 0.00 0.00 176.54 175.25 1udm h THR 103 N 0.52 1.32 0.00 4.70 2.02 0.31 -2.75 112.91 119.03 1udm h THR 103 Ca 0.01 -1.84 0.00 0.00 0.77 0.00 0.00 66.41 65.35 1udm h THR 103 Cb 1.12 1.80 0.00 0.00 -1.74 0.00 0.00 68.15 69.34 1udm h THR 103 CO 0.11 0.57 0.00 0.47 0.37 0.00 0.00 175.52 177.04 1udm n ASP 104 N -3.95 0.00 -0.18 4.18 8.00 0.42 -3.26 116.55 121.76 1udm n ASP 104 Ca -0.04 -0.14 -0.00 0.00 0.71 0.00 0.00 54.79 55.33 1udm n ASP 104 Cb 0.63 -0.24 0.24 0.00 -0.02 0.00 0.00 41.12 41.73 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 0.93 -0.32 -1.24 3.11 -1.29 -1.60 116.57 116.17 1udm h LYS 105 Ca 0.00 -0.09 0.09 0.00 -2.81 0.00 0.00 60.65 57.84 1udm h LYS 105 Cb 0.17 -0.19 -0.01 0.00 -1.00 0.00 0.00 32.23 31.20 1udm h LYS 105 CO 0.00 0.67 0.38 1.15 -2.81 0.00 0.00 179.45 178.84 1udm h THR 106 N 0.94 0.34 0.00 1.00 2.02 -1.75 -0.04 112.91 115.43 1udm h THR 106 Ca 0.24 0.00 -0.00 0.00 0.77 0.00 0.00 66.41 67.42 1udm h THR 106 Cb -0.01 0.68 0.00 0.00 -1.74 0.00 0.00 68.15 67.09 1udm h THR 106 CO -0.04 0.00 -0.01 -0.07 0.37 0.00 0.00 175.52 175.77 1udm h LEU 107 N 0.00 0.01 -1.65 2.58 3.38 -1.54 -3.08 115.31 115.00 1udm h LEU 107 Ca 0.15 -0.88 -0.04 0.00 0.09 0.00 0.00 57.88 57.20 1udm h LEU 107 Cb 0.92 -0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.66 1udm h LEU 107 CO -0.00 0.89 -0.18 0.58 0.09 0.00 0.00 178.44 179.82 1udm h VAL 108 N -0.88 1.12 -0.50 1.22 2.07 -1.25 -2.54 116.25 115.50 1udm h VAL 108 Ca -0.00 -0.60 -0.11 0.00 0.82 0.00 0.00 66.70 66.80 1udm h VAL 108 Cb 0.89 1.32 -0.02 0.00 -1.52 0.00 0.00 31.29 31.97 1udm h VAL 108 CO 0.00 0.17 -0.13 0.50 0.02 0.00 0.00 177.57 178.13 1udm h LYS 109 N 0.00 0.97 -0.91 1.57 3.11 -1.13 -2.90 116.57 117.28 1udm h LYS 109 Ca -0.00 -0.38 0.36 0.00 -2.81 0.00 0.00 60.65 57.82 1udm h LYS 109 Cb 0.31 -0.05 -0.17 0.00 -1.00 0.00 0.00 32.23 31.32 1udm h LYS 109 CO 0.02 1.05 0.42 0.39 -2.81 0.00 0.00 179.45 178.53 1udm n GLU 110 N -4.18 -0.06 0.02 1.90 -0.58 -0.95 0.21 120.64 116.99 1udm n GLU 110 Ca 0.01 1.28 -0.06 0.00 -0.42 0.00 0.00 57.16 57.96 1udm n GLU 110 Cb 0.41 -2.25 -0.11 0.00 -0.57 0.00 0.00 31.44 28.91 1udm n GLU 110 CO 0.00 0.00 0.00 0.28 -0.48 0.00 0.00 177.13 176.93 1udm h VAL 111 N 0.00 0.97 -3.18 2.62 2.07 -1.69 -3.42 116.25 113.62 1udm h VAL 111 Ca 0.74 -2.69 -0.75 0.00 0.82 0.00 0.00 66.70 64.82 1udm h VAL 111 Cb 1.92 2.44 -0.26 0.00 -1.52 0.00 0.00 31.29 33.87 1udm h VAL 111 CO -0.73 0.55 -0.26 -0.69 0.02 0.00 0.00 177.57 176.47 1udm s VAL 112 N -2.71 4.92 0.00 2.57 1.01 0.55 -4.79 120.40 121.95 1udm s VAL 112 Ca -0.02 -1.62 0.00 0.00 0.00 0.00 0.00 61.98 60.33 1udm s VAL 112 Cb 0.09 -4.17 0.00 0.00 0.00 0.00 0.00 36.38 32.29 1udm s VAL 112 CO 0.82 -0.85 0.00 0.00 0.00 0.00 0.00 175.10 175.07 1udm n GLN 113 N 5.10 1.08 0.24 2.72 6.02 -1.24 -4.62 117.38 126.67 1udm n GLN 113 Ca -0.11 0.00 0.07 0.00 -0.01 0.00 0.00 57.00 56.95 1udm n GLN 113 Cb 0.40 -0.92 0.56 0.00 1.02 0.00 0.00 30.24 31.30 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 -0.87 1.08 4.21 -1.94 -3.44 115.58 114.63 1udm h ASN 114 Ca 0.00 0.00 -0.04 0.00 1.21 0.00 0.00 56.30 57.47 1udm h ASN 114 Cb 0.84 0.00 0.02 0.00 -1.12 0.00 0.00 38.32 38.06 1udm h ASN 114 CO 0.00 0.15 -0.02 2.22 -1.29 0.00 0.00 177.43 178.49 1udm n PHE 115 N -4.24 -1.50 -0.03 1.19 -1.74 -1.26 -4.78 117.46 105.10 1udm n PHE 115 Ca -0.02 -0.04 -0.03 0.00 -0.56 0.00 0.00 57.45 56.79 1udm n PHE 115 Cb 0.22 -0.20 -0.01 0.00 1.52 0.00 0.00 39.48 41.01 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 -2.32 0.34 -3.57 1.98 0.00 -0.64 -4.83 120.51 111.48 1udm n ALA 116 Ca -0.02 -0.47 -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 -1.74 1.35 0.08 0.00 2.20 -1.26 -5.05 119.74 115.31 1udm s LYS 117 Ca -0.11 -0.59 -0.26 0.00 -0.36 0.00 0.00 55.97 54.64 1udm s LYS 117 Cb 0.02 0.56 -0.06 0.00 -1.51 0.00 0.00 37.83 36.83 1udm s LYS 117 CO 0.17 -0.60 0.82 -1.83 -0.36 0.00 0.00 175.35 173.55 1udm s GLU 118 N -3.68 4.56 -0.45 4.03 -1.05 -1.26 -2.43 118.70 118.42 1udm s GLU 118 Ca 0.05 1.18 -0.07 0.00 -0.15 0.00 0.00 54.97 55.98 1udm s GLU 118 Cb -0.02 -3.36 0.12 0.00 -0.44 0.00 0.00 34.13 30.43 1udm s GLU 118 CO -0.06 0.29 0.29 -0.06 0.95 0.00 0.00 175.26 176.67 1udm s PHE 119 N -0.15 3.49 -0.72 4.83 0.40 0.15 -4.90 117.98 121.09 1udm s PHE 119 Ca 0.41 -2.09 -0.26 0.00 -0.60 0.00 0.00 56.93 54.38 1udm s PHE 119 Cb -0.22 -3.39 0.04 0.00 0.51 0.00 0.00 43.02 39.96 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 1.27 3.86 -0.01 -0.44 1.01 -1.26 0.17 120.40 125.00 1udm s VAL 120 Ca 0.07 0.25 0.05 0.00 0.00 0.00 0.00 61.98 62.34 1udm s VAL 120 Cb -0.25 -4.87 -0.03 0.00 0.00 0.00 0.00 36.38 31.24 1udm s VAL 120 CO -0.02 -1.76 -0.14 -0.63 0.00 0.00 0.00 175.10 172.54 1udm s ILE 121 N 5.36 3.07 -0.02 2.22 1.01 0.14 -4.94 121.20 128.04 1udm s ILE 121 Ca 0.32 -0.88 0.02 0.00 0.00 0.00 0.00 60.65 60.11 1udm s ILE 121 Cb -0.10 -2.25 -0.02 0.00 0.01 0.00 0.00 42.46 40.09 1udm s ILE 121 CO 0.14 0.48 0.04 -1.20 0.00 0.00 0.00 174.94 174.40 1udm n SER 122 N 1.94 3.36 -4.27 3.58 7.64 -1.26 -1.42 113.62 123.19 1udm n SER 122 Ca -0.16 -0.15 -0.33 0.00 1.01 0.00 0.00 58.87 59.23 1udm n SER 122 Cb 0.52 1.05 -0.15 0.00 -1.01 0.00 0.00 64.21 64.62 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 -1.90 3.72 0.38 6.43 2.15 -1.26 -3.49 116.67 122.70 1udm s ASP 123 Ca -0.00 -0.45 0.14 0.00 0.43 0.00 0.00 52.55 52.66 1udm s ASP 123 Cb 0.01 -1.58 0.96 0.00 -0.30 0.00 0.00 42.92 42.02 1udm s ASP 123 CO 0.07 0.09 1.83 0.03 -0.17 0.00 0.00 175.17 177.01 1udm h ARG 124 N 7.29 0.52 0.00 4.34 3.08 -1.94 0.28 114.38 127.95 1udm h ARG 124 Ca -0.33 -0.03 0.00 0.00 0.07 0.00 0.00 59.98 59.69 1udm h ARG 124 Cb 1.19 -0.12 0.00 0.00 0.08 0.00 0.00 29.97 31.12 1udm h ARG 124 CO 0.57 0.34 0.33 0.87 -1.07 0.00 0.00 179.97 181.02 1udm h LYS 125 N 0.53 0.00 0.00 0.04 1.79 -2.01 0.89 116.57 117.81 1udm h LYS 125 Ca 0.51 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.98 1udm h LYS 125 Cb 1.09 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.74 1udm h LYS 125 CO -0.25 0.00 -1.64 0.39 -1.08 0.00 0.00 179.45 176.87 1udm n GLU 126 N -2.29 0.67 0.11 3.15 1.02 0.97 -4.28 120.64 119.99 1udm n GLU 126 Ca -0.01 -0.13 0.10 0.00 -0.02 0.00 0.00 57.16 57.10 1udm n GLU 126 Cb 0.36 -1.41 0.46 0.00 -0.02 0.00 0.00 31.44 30.82 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 -1.99 0.51 -4.47 -4.62 7.99 0.31 -4.58 117.00 110.15 1udm n LEU 127 Ca -0.02 0.65 -0.46 0.00 -0.01 0.00 0.00 56.01 56.17 1udm n LEU 127 Cb 0.44 -0.62 -0.08 0.00 -0.11 0.00 0.00 43.42 43.05 1udm n LEU 127 CO 0.38 -0.60 1.93 -0.62 -1.51 0.00 0.00 177.39 176.97 1udm n GLU 128 N -2.10 0.80 -0.57 3.23 1.02 -1.20 -4.74 120.64 117.09 1udm n GLU 128 Ca 0.01 0.16 0.45 0.00 -0.02 0.00 0.00 57.16 57.76 1udm n GLU 128 Cb 0.16 -2.42 0.73 0.00 -0.02 0.00 0.00 31.44 29.89 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 8.39 -0.02 -0.20 3.49 2.13 -1.26 0.15 120.64 133.31 1udm n GLU 129 Ca 0.46 1.17 -0.03 0.00 0.66 0.00 0.00 57.16 59.42 1udm n GLU 129 Cb 0.24 -2.46 0.07 0.00 0.27 0.00 0.00 31.44 29.56 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 0.51 -0.29 4.31 3.32 -1.94 -1.76 116.42 120.57 1udm h ASP 130 Ca 0.90 0.02 -0.10 0.00 0.02 0.00 0.00 57.03 57.87 1udm h ASP 130 Cb 3.20 -0.08 -0.02 0.00 0.22 0.00 0.00 39.33 42.66 1udm h ASP 130 CO -0.27 0.34 -0.18 0.15 -1.72 0.00 0.00 179.24 177.56 1udm h PHE 131 N 0.64 0.83 -0.01 4.55 3.57 0.10 -3.12 116.94 123.50 1udm h PHE 131 Ca 0.26 -0.17 0.01 0.00 3.53 0.00 0.00 57.97 61.59 1udm h PHE 131 Cb 0.13 -0.21 -0.01 0.00 2.79 0.00 0.00 35.95 38.65 1udm h PHE 131 CO -0.08 0.87 -0.02 0.82 -2.23 0.00 0.00 178.31 177.67 1udm h ILE 132 N 0.66 0.94 -0.04 1.41 1.08 -1.13 -3.08 117.51 117.35 1udm h ILE 132 Ca 0.10 0.00 0.03 0.00 -0.39 0.00 0.00 64.86 64.60 1udm h ILE 132 Cb 0.67 0.94 -0.06 0.00 -3.07 0.00 0.00 36.82 35.30 1udm h ILE 132 CO 0.05 0.00 -0.49 0.03 -0.69 0.00 0.00 178.15 177.05 1udm h ARG 133 N -0.03 -0.58 -1.04 2.37 -0.00 -1.29 -0.47 114.38 113.33 1udm h ARG 133 Ca 0.01 0.04 0.42 0.00 -0.50 0.00 0.00 59.98 59.95 1udm h ARG 133 Cb 0.05 0.13 -0.17 0.00 0.00 0.00 0.00 29.97 29.98 1udm h ARG 133 CO -0.03 -0.39 0.58 0.45 0.00 0.00 0.00 179.97 180.58 1udm n SER 134 N -5.45 0.33 0.34 7.04 2.88 -1.17 -0.39 113.62 117.19 1udm n SER 134 Ca -0.06 1.60 -0.14 0.00 -1.33 0.00 0.00 58.87 58.94 1udm n SER 134 Cb 0.38 -0.78 -0.07 0.00 -0.75 0.00 0.00 64.21 62.99 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 -0.86 -0.94 -1.46 4.39 -1.05 -3.13 114.58 111.53 1udm h GLU 135 Ca 0.84 0.06 0.18 0.00 0.34 0.00 0.00 59.36 60.79 1udm h GLU 135 Cb 2.30 0.20 -0.08 0.00 -0.10 0.00 0.00 28.75 31.06 1udm h GLU 135 CO -0.72 -0.57 0.60 -0.07 -1.16 0.00 0.00 179.01 177.10 1udm h LEU 136 N -1.23 0.60 -0.96 1.33 3.38 -0.28 0.80 115.31 118.95 1udm h LEU 136 Ca -0.09 0.06 0.14 0.00 0.09 0.00 0.00 57.88 58.08 1udm h LEU 136 Cb 0.69 -0.05 -0.09 0.00 0.09 0.00 0.00 40.66 41.30 1udm h LEU 136 CO 0.15 0.25 0.58 0.11 0.09 0.00 0.00 178.44 179.61 1udm h LYS 137 N 0.61 0.82 -0.18 1.13 1.57 -0.68 -1.56 116.57 118.27 1udm h LYS 137 Ca 0.50 -0.05 0.00 0.00 -1.87 0.00 0.00 60.65 59.23 1udm h LYS 137 Cb 0.97 -0.18 0.00 0.00 0.08 0.00 0.00 32.23 33.09 1udm h LYS 137 CO -0.25 0.54 0.00 0.36 -0.57 0.00 0.00 179.45 179.53 1udm n LYS 138 N -4.72 2.52 -0.26 3.15 -0.00 0.05 -4.80 118.16 114.10 1udm n LYS 138 Ca 0.19 -2.44 -0.03 0.00 -0.00 0.00 0.00 58.31 56.04 1udm n LYS 138 Cb 0.43 -1.53 -0.00 0.00 -0.00 0.00 0.00 35.03 33.93 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 -0.53 -0.18 0.00 0.58 0.00 0.26 -4.87 120.51 115.76 1udm n ALA 139 Ca 0.15 0.63 0.00 0.00 0.00 0.00 0.00 53.44 54.22 1udm n ALA 139 Cb 0.65 -0.23 0.00 0.00 0.00 0.00 0.00 19.45 19.86 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 -1.27 1.02 7.00 0.00 0.00 -1.26 -5.03 105.19 105.64 1udm n GLY 140 Ca 0.05 -1.46 0.00 0.00 0.00 0.00 0.00 46.02 44.61 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 0.00 3.18 3.83 -0.02 0.00 -1.26 -4.79 105.19 106.13 1udm n GLY 141 Ca 0.00 -0.17 -0.27 0.00 0.00 0.00 0.00 46.02 45.58 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 -1.56 4.16 -0.29 4.61 0.00 -1.26 -5.15 121.76 122.27 1udm s ALA 142 Ca 0.00 -1.28 -0.14 0.00 0.00 0.00 0.00 51.96 50.54 1udm s ALA 142 Cb 0.00 -0.50 0.14 0.00 0.00 0.00 0.00 23.12 22.76 1udm s ALA 142 CO 0.00 -0.28 0.85 1.21 0.00 0.00 0.00 175.76 177.54 1udm s ASN 143 N -4.10 -0.77 -0.13 0.00 2.47 -1.26 -5.12 114.94 106.02 1udm s ASN 143 Ca 0.30 1.11 -0.33 0.00 0.42 0.00 0.00 52.86 54.36 1udm s ASN 143 Cb -0.00 1.70 -0.11 0.00 -1.45 0.00 0.00 41.25 41.39 1udm s ASN 143 CO 0.18 -0.16 1.98 0.00 -3.72 0.00 0.00 177.10 175.37 1udm n TYR 144 N 4.73 2.20 -4.03 0.43 9.36 -1.26 -4.96 117.16 123.64 1udm n TYR 144 Ca -0.13 -0.02 -0.16 0.00 3.32 0.00 0.00 57.90 60.91 1udm n TYR 144 Cb 0.54 -2.67 -0.15 0.00 -0.63 0.00 0.00 39.34 36.43 1udm n TYR 144 CO 0.00 0.00 0.00 -0.51 0.22 0.00 0.00 176.86 176.57 1udm s ASP 145 N 5.13 0.46 -0.39 2.98 1.01 -1.26 -5.12 116.67 119.48 1udm s ASP 145 Ca 0.96 -0.06 -0.03 0.00 0.71 0.00 0.00 52.55 54.13 1udm s ASP 145 Cb -0.65 -0.15 0.10 0.00 1.01 0.00 0.00 42.92 43.23 1udm s ASP 145 CO 0.48 -0.02 0.17 0.00 0.21 0.00 0.00 175.17 176.01 1udm s ALA 146 N 0.43 3.10 0.46 5.23 0.00 -1.26 -5.09 121.76 124.63 1udm s ALA 146 Ca -0.04 -2.39 0.08 0.00 0.00 0.00 0.00 51.96 49.61 1udm s ALA 146 Cb -0.07 -2.34 0.01 0.00 0.00 0.00 0.00 23.12 20.72 1udm s ALA 146 CO -0.01 -1.70 0.48 -0.65 0.00 0.00 0.00 175.76 173.88 1udm s GLN 147 N 1.17 2.52 -0.05 0.00 -0.21 -1.26 -5.14 119.66 116.70 1udm s GLN 147 Ca 0.06 -1.56 -0.02 0.00 0.02 0.00 0.00 55.36 53.86 1udm s GLN 147 Cb -0.22 -2.45 0.03 0.00 1.00 0.00 0.00 33.01 31.36 1udm s GLN 147 CO -0.03 -0.36 0.10 -1.54 -2.12 0.00 0.00 175.29 171.34 1udm s SER 148 N -4.27 -0.06 0.00 5.90 1.04 -1.26 -5.36 113.70 109.69 1udm s SER 148 Ca 0.49 0.20 0.26 0.00 0.48 0.00 0.00 55.95 57.39 1udm s SER 148 Cb -0.05 0.12 0.55 0.00 0.10 0.00 0.00 66.02 66.74 1udm s SER 148 CO 0.30 -0.11 1.46 -0.62 0.98 0.00 0.00 173.24 175.24