#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1udm s SER 2 N 0.00 5.21 0.33 1.61 0.01 -1.26 -4.97 113.70 114.63 1udm s SER 2 Ca 0.00 0.39 -0.01 0.00 1.31 0.00 0.00 55.95 57.64 1udm s SER 2 Cb 0.00 -2.53 -0.04 0.00 0.21 0.00 0.00 66.02 63.67 1udm s SER 2 CO 0.00 -2.42 0.54 -1.83 0.41 0.00 0.00 173.24 169.94 1udm s GLU 3 N 7.13 3.52 0.00 12.44 -1.05 -1.26 -5.04 118.70 134.44 1udm s GLU 3 Ca 0.69 -0.26 0.00 0.00 -0.15 0.00 0.00 54.97 55.25 1udm s GLU 3 Cb -0.13 -2.67 0.00 0.00 -0.44 0.00 0.00 34.13 30.89 1udm s GLU 3 CO 0.21 0.18 0.00 0.41 0.95 0.00 0.00 175.26 177.01 1udm n GLY 4 N -1.53 1.08 3.49 -3.83 0.00 -1.26 -4.99 105.19 98.15 1udm n GLY 4 Ca -0.04 0.21 0.00 0.00 0.00 0.00 0.00 46.02 46.19 1udm n GLY 4 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1udm n ALA 5 N -3.00 0.00 -0.68 4.61 0.00 -1.26 -4.76 120.51 115.41 1udm n ALA 5 Ca 0.00 0.00 0.08 0.00 0.00 0.00 0.00 53.44 53.52 1udm n ALA 5 Cb 0.00 -0.54 0.24 0.00 0.00 0.00 0.00 19.45 19.14 1udm n ALA 5 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1udm n ALA 6 N 1.00 2.76 -1.78 0.00 0.00 -1.26 -5.01 120.51 116.22 1udm n ALA 6 Ca 0.00 -1.84 -0.31 0.00 0.00 0.00 0.00 53.44 51.29 1udm n ALA 6 Cb 0.01 -0.66 0.01 0.00 0.00 0.00 0.00 19.45 18.81 1udm n ALA 6 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.50 178.49 1udm s THR 7 N -2.12 4.47 -1.83 0.00 2.01 -1.26 -4.94 115.64 111.96 1udm s THR 7 Ca 0.37 0.87 0.04 0.00 0.31 0.00 0.00 61.69 63.28 1udm s THR 7 Cb 0.27 -3.71 0.13 0.00 0.01 0.00 0.00 72.50 69.21 1udm s THR 7 CO 0.13 -0.98 1.05 1.15 -0.69 0.00 0.00 174.62 175.28 1udm n MET 8 N -2.65 1.40 0.00 4.92 0.00 -1.26 -5.01 117.12 114.52 1udm n MET 8 Ca 0.07 -0.54 0.00 0.00 0.00 0.00 0.00 57.70 57.23 1udm n MET 8 Cb 0.54 -1.19 0.00 0.00 0.00 0.00 0.00 33.22 32.57 1udm n MET 8 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 175.97 175.97 1udm n ALA 9 N -0.04 0.00 -2.75 3.17 0.00 -1.26 -4.92 120.51 114.71 1udm n ALA 9 Ca 0.05 0.00 -0.16 0.00 0.00 0.00 0.00 53.44 53.33 1udm n ALA 9 Cb 0.17 0.00 -0.14 0.00 0.00 0.00 0.00 19.45 19.48 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 0.56 0.37 0.00 2.01 -1.26 -5.04 115.64 112.28 1udm s THR 10 Ca 0.00 -0.49 0.09 0.00 0.31 0.00 0.00 61.69 61.59 1udm s THR 10 Cb 0.00 -0.51 -0.07 0.00 0.01 0.00 0.00 72.50 71.93 1udm s THR 10 CO 0.00 0.02 -0.05 -0.54 -0.69 0.00 0.00 174.62 173.37 1udm s LYS 11 N -0.52 1.89 0.00 4.92 -0.14 -1.15 -5.05 119.74 119.69 1udm s LYS 11 Ca -0.00 -1.99 -0.01 0.00 -1.36 0.00 0.00 55.97 52.61 1udm s LYS 11 Cb -0.04 -1.70 -0.01 0.00 -1.68 0.00 0.00 37.83 34.40 1udm s LYS 11 CO 0.00 0.07 0.02 -1.50 -0.76 0.00 0.00 175.35 173.18 1udm s ILE 12 N -2.64 0.05 -0.11 2.17 2.07 -1.26 -1.01 121.20 120.46 1udm s ILE 12 Ca 0.34 -0.38 -0.02 0.00 -1.41 0.00 0.00 60.65 59.17 1udm s ILE 12 Cb 0.05 -0.15 -0.03 0.00 0.13 0.00 0.00 42.46 42.45 1udm s ILE 12 CO 0.17 -0.21 2.58 0.47 -1.91 0.00 0.00 174.94 176.04 1udm n ASP 13 N 2.42 5.66 -0.09 4.50 9.92 0.13 -4.70 116.55 134.39 1udm n ASP 13 Ca -0.17 -2.65 0.06 0.00 -0.53 0.00 0.00 54.79 51.51 1udm n ASP 13 Cb 0.58 -1.21 0.12 0.00 -0.64 0.00 0.00 41.12 39.96 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 1.51 -0.02 0.45 -1.24 5.02 -1.26 0.21 118.16 122.82 1udm n LYS 14 Ca 0.24 0.39 -0.20 0.00 -2.02 0.00 0.00 58.31 56.72 1udm n LYS 14 Cb 0.64 -0.66 -0.10 0.00 -0.02 0.00 0.00 35.03 34.89 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 -1.19 -0.07 1.97 5.08 -1.98 0.35 114.58 118.74 1udm h GLU 15 Ca 0.20 0.08 -0.10 0.00 -1.00 0.00 0.00 59.36 58.54 1udm h GLU 15 Cb 0.47 0.27 -0.01 0.00 0.50 0.00 0.00 28.75 29.98 1udm h GLU 15 CO -0.23 -0.79 -0.41 0.00 -1.00 0.00 0.00 179.01 176.57 1udm h ALA 16 N -1.17 1.17 0.37 3.43 0.00 0.20 -3.16 119.26 120.10 1udm h ALA 16 Ca -0.11 -0.40 -0.02 0.00 0.00 0.00 0.00 54.91 54.38 1udm h ALA 16 Cb 0.98 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.69 1udm h ALA 16 CO 0.12 0.57 -0.18 0.00 0.00 0.00 0.00 179.25 179.77 1udm h ARG 18 N -0.79 0.14 -0.12 0.00 2.43 -0.31 0.13 114.38 115.86 1udm h ARG 18 Ca -0.05 -0.01 -0.01 0.00 -0.81 0.00 0.00 59.98 59.10 1udm h ARG 18 Cb 0.52 -0.03 -0.01 0.00 -0.42 0.00 0.00 29.97 30.04 1udm h ARG 18 CO 0.08 0.09 0.03 0.00 -1.51 0.00 0.00 179.97 178.67 1udm h ALA 19 N 1.51 0.16 -0.42 2.80 0.00 -1.48 -0.81 119.26 121.02 1udm h ALA 19 Ca 0.55 -0.13 -0.08 0.00 0.00 0.00 0.00 54.91 55.26 1udm h ALA 19 Cb 1.90 -0.05 -0.01 0.00 0.00 0.00 0.00 17.79 19.63 1udm h ALA 19 CO -0.11 -0.22 -0.04 0.00 0.00 0.00 0.00 179.25 178.88 1udm h ALA 20 N 0.84 0.57 0.00 0.00 0.00 -0.71 -1.83 119.26 118.13 1udm h ALA 20 Ca 0.04 -0.29 0.00 0.00 0.00 0.00 0.00 54.91 54.66 1udm h ALA 20 Cb 0.24 -0.15 0.00 0.00 0.00 0.00 0.00 17.79 17.88 1udm h ALA 20 CO -0.00 0.39 0.00 -0.92 0.00 0.00 0.00 179.25 178.72 1udm h TYR 21 N 0.59 0.00 0.09 0.00 3.20 -1.11 -2.75 116.97 116.99 1udm h TYR 21 Ca 0.11 0.00 -0.33 0.00 3.14 0.00 0.00 58.73 61.65 1udm h TYR 21 Cb 0.54 0.00 -0.02 0.00 1.54 0.00 0.00 36.73 38.79 1udm h TYR 21 CO 0.04 0.00 -1.80 -0.91 -1.64 0.00 0.00 178.16 173.85 1udm h ASN 22 N 0.00 0.31 -0.09 -2.11 2.35 -0.68 -2.90 115.58 112.46 1udm h ASN 22 Ca 0.00 -0.61 0.03 0.00 -0.55 0.00 0.00 56.30 55.17 1udm h ASN 22 Cb 0.34 -0.10 -0.00 0.00 0.05 0.00 0.00 38.32 38.60 1udm h ASN 22 CO 0.00 1.54 0.09 -0.07 -1.65 0.00 0.00 177.43 177.33 1udm h LEU 23 N 0.05 0.00 0.00 1.61 -0.00 -1.03 0.16 115.31 116.10 1udm h LEU 23 Ca -0.34 0.00 -0.33 0.00 -0.00 0.00 0.00 57.88 57.21 1udm h LEU 23 Cb 2.03 0.00 -0.06 0.00 -0.00 0.00 0.00 40.66 42.63 1udm h LEU 23 CO 0.11 0.00 -2.06 0.52 -0.00 0.00 0.00 178.44 177.01 1udm n VAL 24 N -4.08 1.48 0.18 1.22 0.31 -1.22 -3.21 118.33 113.01 1udm n VAL 24 Ca -0.01 -0.83 0.05 0.00 -0.01 0.00 0.00 64.34 63.55 1udm n VAL 24 Cb 0.19 -0.72 0.25 0.00 -0.91 0.00 0.00 33.84 32.65 1udm n VAL 24 CO 0.00 0.00 0.00 0.08 -1.32 0.00 0.00 176.83 175.59 1udm h ARG 25 N 0.00 0.00 -7.53 5.55 0.11 -1.12 -3.45 114.38 107.94 1udm h ARG 25 Ca -0.42 0.00 -0.47 0.00 0.10 0.00 0.00 59.98 59.19 1udm h ARG 25 Cb 2.12 0.00 0.11 0.00 1.11 0.00 0.00 29.97 33.32 1udm h ARG 25 CO 0.05 0.39 0.35 0.34 0.10 0.00 0.00 179.97 181.20 1udm s ASP 26 N -6.39 4.05 -0.56 0.08 2.15 0.50 -4.90 116.67 111.60 1udm s ASP 26 Ca 0.02 0.93 -0.26 0.00 0.43 0.00 0.00 52.55 53.66 1udm s ASP 26 Cb 0.09 -1.49 -0.07 0.00 -0.30 0.00 0.00 42.92 41.16 1udm s ASP 26 CO 0.70 -2.21 2.28 -0.62 -0.17 0.00 0.00 175.17 175.16 1udm s ASP 27 N -4.25 4.56 -0.50 -0.34 2.15 -1.26 -3.92 116.67 113.11 1udm s ASP 27 Ca 0.63 0.76 -0.00 0.00 0.43 0.00 0.00 52.55 54.37 1udm s ASP 27 Cb -0.13 -2.51 0.00 0.00 -0.30 0.00 0.00 42.92 39.98 1udm s ASP 27 CO 0.52 -2.89 0.37 0.61 -0.17 0.00 0.00 175.17 173.60 1udm n GLY 28 N 6.06 -0.79 1.37 2.66 0.00 -1.26 -4.71 105.19 108.51 1udm n GLY 28 Ca 0.35 0.37 -0.01 0.00 0.00 0.00 0.00 46.02 46.73 1udm n GLY 28 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 1udm n SER 29 N -1.39 4.61 -0.59 1.61 2.88 -1.20 -4.66 113.62 114.89 1udm n SER 29 Ca -0.20 -2.34 -0.08 0.00 -1.33 0.00 0.00 58.87 54.93 1udm n SER 29 Cb 0.43 -0.91 -0.03 0.00 -0.75 0.00 0.00 64.21 62.94 1udm n SER 29 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1udm n ALA 30 N 1.05 -0.12 -3.41 -1.46 0.00 -1.26 -4.92 120.51 110.39 1udm n ALA 30 Ca 0.03 0.12 -0.14 0.00 0.00 0.00 0.00 53.44 53.46 1udm n ALA 30 Cb 0.52 -1.10 -0.09 0.00 0.00 0.00 0.00 19.45 18.79 1udm n ALA 30 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 1udm s VAL 31 N -2.21 0.00 0.00 0.00 0.11 -1.26 -3.95 120.40 113.10 1udm s VAL 31 Ca 0.00 -0.04 0.00 0.00 -2.93 0.00 0.00 61.98 59.01 1udm s VAL 31 Cb 0.00 -0.74 0.00 0.00 -1.53 0.00 0.00 36.38 34.11 1udm s VAL 31 CO 0.00 -0.02 0.00 2.30 -3.33 0.00 0.00 175.10 174.05 1udm n ILE 32 N 2.52 0.00 -3.82 7.04 -5.35 -1.15 -4.28 119.36 114.33 1udm n ILE 32 Ca -0.15 -0.40 -0.12 0.00 -0.27 0.00 0.00 62.75 61.81 1udm n ILE 32 Cb 0.56 0.97 -0.11 0.00 -1.74 0.00 0.00 39.64 39.32 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 -0.89 -0.15 -0.06 4.28 1.48 -1.08 -0.61 118.94 121.91 1udm s TRP 33 Ca 0.00 0.35 -0.03 0.00 -1.06 0.00 0.00 56.10 55.36 1udm s TRP 33 Cb 0.00 0.04 0.04 0.00 -1.16 0.00 0.00 33.47 32.39 1udm s TRP 33 CO 0.00 -0.17 0.12 0.14 -4.06 0.00 0.00 176.95 172.98 1udm s VAL 34 N -0.37 -0.17 0.23 -0.66 -7.23 -0.30 -2.91 120.40 108.99 1udm s VAL 34 Ca -0.05 0.33 -0.04 0.00 -1.81 0.00 0.00 61.98 60.41 1udm s VAL 34 Cb -0.03 -0.23 -0.05 0.00 0.56 0.00 0.00 36.38 36.62 1udm s VAL 34 CO 0.01 0.14 0.47 0.42 -0.31 0.00 0.00 175.10 175.83 1udm s THR 35 N 1.98 5.09 -0.31 5.32 -4.23 -1.01 -0.03 115.64 122.45 1udm s THR 35 Ca 0.01 0.00 -0.01 0.00 -1.18 0.00 0.00 61.69 60.51 1udm s THR 35 Cb -0.12 -3.69 0.10 0.00 1.34 0.00 0.00 72.50 70.13 1udm s THR 35 CO -0.05 -0.17 0.11 -0.36 -0.54 0.00 0.00 174.62 173.60 1udm s PHE 36 N -1.90 1.56 0.52 3.99 0.08 0.14 0.47 117.98 122.84 1udm s PHE 36 Ca 0.42 -1.67 0.08 0.00 0.12 0.00 0.00 56.93 55.89 1udm s PHE 36 Cb -0.11 -1.63 0.06 0.00 -0.57 0.00 0.00 43.02 40.77 1udm s PHE 36 CO 0.27 -0.87 0.71 -0.98 -0.10 0.00 0.00 175.22 174.26 1udm s ARG 37 N 1.62 2.50 0.10 0.44 1.70 -0.36 -2.43 118.95 122.53 1udm s ARG 37 Ca 0.10 -1.41 -0.09 0.00 -0.47 0.00 0.00 55.73 53.86 1udm s ARG 37 Cb -0.17 -2.67 -0.06 0.00 -0.57 0.00 0.00 34.95 31.48 1udm s ARG 37 CO -0.25 -0.64 0.41 0.71 -1.08 0.00 0.00 175.30 174.44 1udm s TYR 38 N -2.57 3.55 -0.27 5.89 1.51 -1.26 -0.32 117.35 123.89 1udm s TYR 38 Ca 0.59 0.76 0.11 0.00 -1.01 0.00 0.00 57.07 57.53 1udm s TYR 38 Cb -0.08 -2.15 0.26 0.00 -0.11 0.00 0.00 41.96 39.89 1udm s TYR 38 CO 0.37 0.48 1.19 -3.47 -1.11 0.00 0.00 175.55 173.01 1udm n ASP 39 N 0.67 2.71 0.00 2.29 2.03 -0.71 -4.90 116.55 118.64 1udm n ASP 39 Ca -0.06 -2.55 0.00 0.00 0.52 0.00 0.00 54.79 52.70 1udm n ASP 39 Cb 0.52 -0.29 0.00 0.00 -0.72 0.00 0.00 41.12 40.63 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 -0.57 1.26 0.18 0.27 0.00 -1.26 -4.80 105.19 100.26 1udm n GLY 40 Ca 0.12 -0.34 0.04 0.00 0.00 0.00 0.00 46.02 45.84 1udm n GLY 40 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1udm n ALA 41 N 0.00 2.16 -3.41 4.61 0.00 -1.26 -5.02 120.51 117.60 1udm n ALA 41 Ca 0.00 -1.53 -0.15 0.00 0.00 0.00 0.00 53.44 51.76 1udm n ALA 41 Cb 0.00 -0.21 -0.07 0.00 0.00 0.00 0.00 19.45 19.16 1udm n ALA 41 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.50 178.49 1udm s THR 42 N -1.61 0.02 0.28 0.00 2.01 -1.26 -2.94 115.64 112.14 1udm s THR 42 Ca 0.15 -0.16 -0.22 0.00 0.31 0.00 0.00 61.69 61.76 1udm s THR 42 Cb 0.11 -0.82 -0.09 0.00 0.01 0.00 0.00 72.50 71.72 1udm s THR 42 CO 0.04 -0.09 0.83 -0.63 -0.69 0.00 0.00 174.62 174.08 1udm s ILE 43 N -0.90 4.41 -0.02 1.82 1.01 -0.18 -1.73 121.20 125.61 1udm s ILE 43 Ca -0.09 1.51 -0.18 0.00 0.00 0.00 0.00 60.65 61.88 1udm s ILE 43 Cb -0.03 -3.90 0.03 0.00 0.01 0.00 0.00 42.46 38.58 1udm s ILE 43 CO 0.06 0.13 0.39 0.68 0.00 0.00 0.00 174.94 176.21 1udm s VAL 44 N -1.62 0.05 -0.19 2.92 -7.23 0.57 -0.69 120.40 114.20 1udm s VAL 44 Ca 0.48 -0.38 -0.37 0.00 -1.81 0.00 0.00 61.98 59.90 1udm s VAL 44 Cb -0.17 -0.73 -0.13 0.00 0.56 0.00 0.00 36.38 35.91 1udm s VAL 44 CO 0.22 -0.21 1.87 -2.65 -0.31 0.00 0.00 175.10 174.01 1udm n PRO 45 N 1.12 1.67 0.00 4.82 -0.02 -1.26 -1.22 135.00 140.11 1udm n PRO 45 Ca -0.21 0.60 0.00 0.00 -2.02 0.00 0.00 63.50 61.87 1udm n PRO 45 Cb 0.57 -2.42 0.00 0.00 -0.02 0.00 0.00 33.50 31.62 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 4.56 1.58 4.01 -1.23 0.00 0.18 -4.76 105.19 109.53 1udm n GLY 46 Ca 0.26 0.00 -0.18 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 5.43 -0.28 1.61 1.11 -1.25 -4.94 116.67 117.35 1udm s ASP 47 Ca 0.00 -0.59 -0.15 0.00 0.18 0.00 0.00 52.55 51.99 1udm s ASP 47 Cb 0.00 -0.34 0.10 0.00 1.07 0.00 0.00 42.92 43.75 1udm s ASP 47 CO 0.00 -0.94 0.77 -1.58 1.18 0.00 0.00 175.17 174.60 1udm s GLN 48 N -4.43 0.60 -0.12 8.23 0.74 -1.26 -2.39 119.66 121.01 1udm s GLN 48 Ca 0.56 1.08 -0.33 0.00 0.05 0.00 0.00 55.36 56.72 1udm s GLN 48 Cb -0.08 0.20 0.13 0.00 1.10 0.00 0.00 33.01 34.36 1udm s GLN 48 CO 0.34 -0.13 1.24 0.20 -0.55 0.00 0.00 175.29 176.39 1udm s GLY 49 N 1.70 -0.34 0.19 2.59 0.00 -1.15 -5.03 107.32 105.29 1udm s GLY 49 Ca -0.09 1.26 0.21 0.00 0.00 0.00 0.00 44.72 46.10 1udm s GLY 49 CO -0.18 0.38 1.03 0.00 0.00 0.00 0.00 173.10 174.33 1udm h ALA 50 N 2.00 0.56 -1.72 3.20 0.00 -1.86 -2.84 119.26 118.60 1udm h ALA 50 Ca -0.17 -0.18 -0.57 0.00 0.00 0.00 0.00 54.91 53.99 1udm h ALA 50 Cb 1.18 0.06 -0.08 0.00 0.00 0.00 0.00 17.79 18.95 1udm h ALA 50 CO 0.25 0.20 0.87 0.34 0.00 0.00 0.00 179.25 180.91 1udm s ASP 51 N -5.51 6.56 0.53 0.00 2.15 -1.26 -4.51 116.67 114.63 1udm s ASP 51 Ca -0.01 0.30 0.23 0.00 0.43 0.00 0.00 52.55 53.51 1udm s ASP 51 Cb 0.09 -2.53 1.39 0.00 -0.30 0.00 0.00 42.92 41.57 1udm s ASP 51 CO 0.79 -1.28 2.03 0.22 -0.17 0.00 0.00 175.17 176.77 1udm h TYR 52 N 9.29 0.00 0.00 -5.34 5.03 -1.99 0.28 116.97 124.24 1udm h TYR 52 Ca -0.24 0.00 -0.00 0.00 2.58 0.00 0.00 58.73 61.07 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 0.97 0.00 -0.01 1.96 -1.32 0.00 0.00 178.16 179.76 1udm h GLN 53 N 0.00 0.00 0.00 1.82 1.08 -1.99 -2.25 115.11 113.77 1udm h GLN 53 Ca 0.19 0.00 -0.13 0.00 -1.45 0.00 0.00 58.65 57.25 1udm h GLN 53 Cb 0.76 0.00 -0.02 0.00 -0.05 0.00 0.00 27.48 28.17 1udm h GLN 53 CO -0.00 0.01 -0.67 0.45 -0.95 0.00 0.00 178.83 177.67 1udm h HIS 54 N 0.00 0.00 0.16 2.96 3.86 -0.83 -3.15 115.15 118.15 1udm h HIS 54 Ca -0.00 0.00 -0.28 0.00 -1.16 0.00 0.00 60.37 58.93 1udm h HIS 54 Cb 0.41 0.00 0.03 0.00 1.06 0.00 0.00 27.41 28.91 1udm h HIS 54 CO 0.00 0.61 -1.20 0.35 0.86 0.00 0.00 177.93 178.55 1udm h PHE 55 N 0.00 0.90 0.00 2.45 3.57 -1.38 -3.23 116.94 119.25 1udm h PHE 55 Ca -0.02 -0.60 0.00 0.00 3.53 0.00 0.00 57.97 60.88 1udm h PHE 55 Cb 1.48 -0.06 0.00 0.00 2.79 0.00 0.00 35.95 40.16 1udm h PHE 55 CO 0.00 1.46 0.00 0.82 -2.23 0.00 0.00 178.31 178.36 1udm h ILE 56 N 0.09 0.00 -0.02 1.41 2.04 -1.59 -1.89 117.51 117.56 1udm h ILE 56 Ca -0.20 -0.33 0.00 0.00 1.00 0.00 0.00 64.86 65.33 1udm h ILE 56 Cb 1.91 1.20 0.00 0.00 -0.74 0.00 0.00 36.82 39.19 1udm h ILE 56 CO 0.23 0.00 0.00 0.00 0.00 0.00 0.00 178.15 178.38 1udm n GLN 57 N -2.73 1.21 -0.05 2.37 1.13 -1.19 -3.43 117.38 114.68 1udm n GLN 57 Ca 0.01 -0.30 -0.04 0.00 -1.94 0.00 0.00 57.00 54.73 1udm n GLN 57 Cb 0.24 -1.45 -0.10 0.00 0.11 0.00 0.00 30.24 29.04 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 -0.60 1.74 -2.67 -1.09 1.13 -0.71 -4.94 117.38 110.24 1udm n GLN 58 Ca 0.21 -0.03 -0.43 0.00 -1.94 0.00 0.00 57.00 54.81 1udm n GLN 58 Cb 0.17 -1.31 -0.02 0.00 0.11 0.00 0.00 30.24 29.19 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 3.44 0.47 -2.00 0.00 -4.23 -1.26 -4.95 115.64 107.11 1udm s THR 60 Ca 0.44 -2.00 0.18 0.00 -1.18 0.00 0.00 61.69 59.13 1udm s THR 60 Cb -0.13 -2.60 0.51 0.00 1.34 0.00 0.00 72.50 71.62 1udm s THR 60 CO 0.12 0.00 1.51 0.47 -0.54 0.00 0.00 174.62 176.18 1udm n ASP 61 N -0.58 0.00 -0.07 3.99 8.00 -1.26 -2.31 116.55 124.31 1udm n ASP 61 Ca 0.00 -0.84 0.10 0.00 0.71 0.00 0.00 54.79 54.76 1udm n ASP 61 Cb 0.66 0.00 0.14 0.00 -0.02 0.00 0.00 41.12 41.90 1udm n ASP 61 CO 0.00 0.00 0.00 -0.67 -0.39 0.00 0.00 177.20 176.14 1udm n ASP 62 N -0.90 2.34 -3.55 -2.24 2.03 -1.26 -3.13 116.55 109.83 1udm n ASP 62 Ca 0.14 -3.07 -0.14 0.00 0.52 0.00 0.00 54.79 52.24 1udm n ASP 62 Cb 0.06 -0.42 -0.05 0.00 -0.72 0.00 0.00 41.12 39.99 1udm n ASP 62 CO 0.00 0.00 0.00 0.54 -1.92 0.00 0.00 177.20 175.82 1udm s VAL 63 N -2.84 0.02 -0.12 5.18 0.11 -0.98 -5.02 120.40 116.75 1udm s VAL 63 Ca 0.31 -0.21 -0.08 0.00 -2.93 0.00 0.00 61.98 59.08 1udm s VAL 63 Cb 0.27 -0.99 0.04 0.00 -1.53 0.00 0.00 36.38 34.18 1udm s VAL 63 CO 0.03 -0.11 0.30 0.00 -3.33 0.00 0.00 175.10 171.98 1udm s ARG 64 N -2.54 0.30 0.03 1.54 3.03 -1.26 -1.09 118.95 118.96 1udm s ARG 64 Ca -0.05 0.53 -0.29 0.00 2.03 0.00 0.00 55.73 57.96 1udm s ARG 64 Cb -0.01 0.02 0.10 0.00 -1.03 0.00 0.00 34.95 34.03 1udm s ARG 64 CO -0.02 -0.11 1.07 -0.48 -1.13 0.00 0.00 175.30 174.63 1udm s LEU 65 N 0.82 -0.17 0.50 -1.89 -0.00 -0.50 -4.70 118.68 112.74 1udm s LEU 65 Ca -0.05 -0.20 -0.05 0.00 -0.00 0.00 0.00 54.13 53.82 1udm s LEU 65 Cb -0.06 1.81 -0.03 0.00 -0.00 0.00 0.00 46.19 47.91 1udm s LEU 65 CO -0.06 -0.59 0.80 -0.36 -0.00 0.00 0.00 176.35 176.15 1udm s PHE 66 N -2.90 3.49 -0.23 3.48 0.40 -1.02 -0.06 117.98 121.15 1udm s PHE 66 Ca 0.11 0.75 -0.04 0.00 -0.60 0.00 0.00 56.93 57.15 1udm s PHE 66 Cb 0.01 -2.39 0.12 0.00 0.51 0.00 0.00 43.02 41.27 1udm s PHE 66 CO -0.02 -0.39 0.36 0.00 0.70 0.00 0.00 175.22 175.87 1udm s ALA 67 N -2.78 -1.00 -0.43 5.36 0.00 0.63 0.27 121.76 123.81 1udm s ALA 67 Ca 0.49 0.95 -0.19 0.00 0.00 0.00 0.00 51.96 53.21 1udm s ALA 67 Cb -0.10 -1.54 0.02 0.00 0.00 0.00 0.00 23.12 21.49 1udm s ALA 67 CO 0.45 -1.14 0.55 0.12 0.00 0.00 0.00 175.76 175.74 1udm s PHE 68 N 2.53 3.11 -0.02 0.00 5.36 0.95 0.94 117.98 130.86 1udm s PHE 68 Ca 0.09 -0.20 0.05 0.00 -0.96 0.00 0.00 56.93 55.91 1udm s PHE 68 Cb -0.15 -3.13 -0.03 0.00 -0.34 0.00 0.00 43.02 39.37 1udm s PHE 68 CO -0.14 -0.79 -0.16 0.08 -1.46 0.00 0.00 175.22 172.74 1udm s VAL 69 N 2.50 2.89 -0.10 3.12 1.01 -0.97 -1.15 120.40 127.69 1udm s VAL 69 Ca 0.18 -0.91 -0.17 0.00 0.00 0.00 0.00 61.98 61.08 1udm s VAL 69 Cb -0.15 -2.15 -0.05 0.00 0.00 0.00 0.00 36.38 34.03 1udm s VAL 69 CO 0.16 0.51 0.44 -0.60 0.00 0.00 0.00 175.10 175.61 1udm s ARG 70 N -0.95 4.26 -0.20 2.72 3.52 0.22 -1.53 118.95 126.99 1udm s ARG 70 Ca 0.12 0.40 0.00 0.00 -0.13 0.00 0.00 55.73 56.12 1udm s ARG 70 Cb -0.11 -3.40 0.05 0.00 -1.56 0.00 0.00 34.95 29.94 1udm s ARG 70 CO 0.02 0.27 -0.06 -0.06 -0.81 0.00 0.00 175.30 174.65 1udm s PHE 71 N 0.29 2.10 -0.19 5.12 0.40 -1.26 -4.90 117.98 119.53 1udm s PHE 71 Ca 0.24 -1.44 -0.29 0.00 -0.60 0.00 0.00 56.93 54.84 1udm s PHE 71 Cb -0.15 -1.48 -0.02 0.00 0.51 0.00 0.00 43.02 41.89 1udm s PHE 71 CO 0.10 -0.71 1.33 0.95 0.70 0.00 0.00 175.22 177.60 1udm s THR 72 N 1.50 4.14 -0.36 0.64 -4.23 -1.26 -3.38 115.64 112.69 1udm s THR 72 Ca -0.02 1.35 -0.16 0.00 -1.18 0.00 0.00 61.69 61.68 1udm s THR 72 Cb -0.17 -3.96 -0.00 0.00 1.34 0.00 0.00 72.50 69.71 1udm s THR 72 CO -0.07 -0.22 0.42 0.42 -0.54 0.00 0.00 174.62 174.63 1udm s THR 73 N 3.88 5.10 -0.29 3.99 -4.23 0.12 -4.90 115.64 119.32 1udm s THR 73 Ca 0.58 0.07 -0.19 0.00 -1.18 0.00 0.00 61.69 60.97 1udm s THR 73 Cb -0.22 -3.91 0.13 0.00 1.34 0.00 0.00 72.50 69.85 1udm s THR 73 CO 0.19 -0.19 0.96 -0.83 -0.54 0.00 0.00 174.62 174.21 1udm s GLY 74 N 1.76 -0.12 -0.05 3.99 0.00 -1.25 -1.65 107.32 109.99 1udm s GLY 74 Ca 0.14 2.92 -0.06 0.00 0.00 0.00 0.00 44.72 47.72 1udm s GLY 74 CO 0.13 2.33 -0.11 2.09 0.00 0.00 0.00 173.10 177.54 1udm n ASP 75 N 3.30 0.67 0.00 1.64 5.68 -1.25 -4.94 116.55 121.64 1udm n ASP 75 Ca -0.17 0.11 0.00 0.00 -0.50 0.00 0.00 54.79 54.23 1udm n ASP 75 Cb 0.57 -0.54 0.00 0.00 -1.14 0.00 0.00 41.12 40.01 1udm n ASP 75 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 1udm n ALA 76 N -3.17 0.00 0.00 2.12 0.00 -1.26 -4.90 120.51 113.31 1udm n ALA 76 Ca -0.05 -0.15 0.00 0.00 0.00 0.00 0.00 53.44 53.24 1udm n ALA 76 Cb 0.17 0.00 -0.00 0.00 0.00 0.00 0.00 19.45 19.62 1udm n ALA 76 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 177.50 176.17 1udm n MET 77 N -2.10 5.35 -1.93 0.00 2.81 -1.26 -5.04 117.12 114.95 1udm n MET 77 Ca 0.00 -0.00 -0.41 0.00 -1.81 0.00 0.00 57.70 55.48 1udm n MET 77 Cb 0.00 -0.62 -0.02 0.00 -0.71 0.00 0.00 33.22 31.87 1udm n MET 77 CO 0.00 0.00 0.00 0.45 1.51 0.00 0.00 175.97 177.93 1udm s SER 78 N -1.24 6.54 -0.12 7.83 0.15 -1.26 -5.01 113.70 120.59 1udm s SER 78 Ca 0.00 2.82 -0.04 0.00 0.70 0.00 0.00 55.95 59.44 1udm s SER 78 Cb 0.00 -2.64 0.06 0.00 -1.71 0.00 0.00 66.02 61.73 1udm s SER 78 CO 0.00 -0.75 0.16 -0.54 1.20 0.00 0.00 173.24 173.31 1udm s LYS 79 N -1.11 0.07 0.33 5.44 3.01 -1.25 -3.85 119.74 122.38 1udm s LYS 79 Ca 0.56 0.37 -0.08 0.00 -1.01 0.00 0.00 55.97 55.81 1udm s LYS 79 Cb -0.44 -0.74 0.01 0.00 -1.01 0.00 0.00 37.83 35.66 1udm s LYS 79 CO 0.51 -0.44 0.56 1.03 0.51 0.00 0.00 175.35 177.52 1udm s ARG 80 N 2.27 1.91 -0.03 1.68 0.52 -0.66 -4.97 118.95 119.68 1udm s ARG 80 Ca 0.04 -1.55 -0.01 0.00 -0.52 0.00 0.00 55.73 53.69 1udm s ARG 80 Cb -0.13 0.50 0.03 0.00 0.52 0.00 0.00 34.95 35.87 1udm s ARG 80 CO -0.08 -0.82 0.05 -1.54 0.02 0.00 0.00 175.30 172.93 1udm s SER 81 N -3.14 0.14 -0.00 0.23 1.04 -1.26 0.13 113.70 110.83 1udm s SER 81 Ca 0.25 0.09 0.02 0.00 0.48 0.00 0.00 55.95 56.78 1udm s SER 81 Cb -0.02 -0.03 -0.03 0.00 0.10 0.00 0.00 66.02 66.05 1udm s SER 81 CO 0.15 -0.14 0.03 0.29 0.98 0.00 0.00 173.24 174.55 1udm n LYS 82 N 4.30 0.74 -0.01 4.02 5.02 -1.22 -4.99 118.16 126.03 1udm n LYS 82 Ca -0.25 -0.01 0.00 0.00 -2.02 0.00 0.00 58.31 56.02 1udm n LYS 82 Cb 0.50 -1.04 -0.00 0.00 -0.02 0.00 0.00 35.03 34.47 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 -1.65 -1.96 -3.54 2.13 3.01 -1.26 0.21 117.46 114.39 1udm n PHE 83 Ca -0.01 0.01 0.02 0.00 1.01 0.00 0.00 57.45 58.49 1udm n PHE 83 Cb 0.14 0.26 -0.06 0.00 -0.01 0.00 0.00 39.48 39.81 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 -1.95 -2.74 -0.96 4.37 0.00 -0.58 -3.40 121.76 116.49 1udm s ALA 84 Ca 0.00 1.98 -0.21 0.00 0.00 0.00 0.00 51.96 53.73 1udm s ALA 84 Cb 0.00 -2.02 0.09 0.00 0.00 0.00 0.00 23.12 21.19 1udm s ALA 84 CO 0.00 -0.48 1.27 -1.17 0.00 0.00 0.00 175.76 175.38 1udm s LEU 85 N 1.35 4.28 -0.67 0.00 2.96 -0.52 -2.29 118.68 123.79 1udm s LEU 85 Ca -0.06 -1.70 -0.27 0.00 -0.22 0.00 0.00 54.13 51.88 1udm s LEU 85 Cb -0.02 -2.48 0.00 0.00 0.50 0.00 0.00 46.19 44.19 1udm s LEU 85 CO -0.12 -1.30 1.57 -0.63 -1.32 0.00 0.00 176.35 174.55 1udm s ILE 86 N 3.85 3.54 -0.67 6.68 1.01 0.27 0.10 121.20 135.98 1udm s ILE 86 Ca 0.38 0.32 -0.23 0.00 0.00 0.00 0.00 60.65 61.12 1udm s ILE 86 Cb -0.03 -4.42 0.06 0.00 0.01 0.00 0.00 42.46 38.08 1udm s ILE 86 CO -0.08 -1.37 1.02 -0.89 0.00 0.00 0.00 174.94 173.61 1udm s THR 87 N 7.39 4.22 0.29 2.92 2.01 0.29 -0.27 115.64 132.49 1udm s THR 87 Ca 0.51 -0.18 -0.24 0.00 0.31 0.00 0.00 61.69 62.09 1udm s THR 87 Cb -0.10 -4.72 -0.09 0.00 0.01 0.00 0.00 72.50 67.59 1udm s THR 87 CO 0.18 -1.51 0.87 0.86 -0.69 0.00 0.00 174.62 174.34 1udm s TRP 88 N 4.36 3.67 -0.29 4.92 -0.11 0.92 -0.31 118.94 132.09 1udm s TRP 88 Ca 0.25 1.65 0.01 0.00 1.22 0.00 0.00 56.10 59.24 1udm s TRP 88 Cb -0.15 -2.82 0.15 0.00 -1.50 0.00 0.00 33.47 29.15 1udm s TRP 88 CO 0.12 0.24 0.38 0.42 -4.62 0.00 0.00 176.95 173.49 1udm s ILE 89 N -1.60 -0.58 -0.01 5.86 1.01 -0.13 -1.41 121.20 124.34 1udm s ILE 89 Ca 0.48 -0.34 -0.26 0.00 0.00 0.00 0.00 60.65 60.53 1udm s ILE 89 Cb -0.18 -0.99 -0.13 0.00 0.01 0.00 0.00 42.46 41.18 1udm s ILE 89 CO 0.23 -0.33 0.69 0.61 0.00 0.00 0.00 174.94 176.14 1udm n GLY 90 N 5.34 -0.17 0.20 6.18 0.00 -0.25 -4.32 105.19 112.17 1udm n GLY 90 Ca 0.00 0.49 0.15 0.00 0.00 0.00 0.00 46.02 46.66 1udm n GLY 90 CO 0.00 0.00 0.00 -2.09 0.00 0.00 0.00 173.32 171.23 1udm h GLU 91 N 1.96 0.00 0.00 1.61 4.57 -1.72 -2.56 114.58 118.43 1udm h GLU 91 Ca -0.32 0.00 0.00 0.00 -1.18 0.00 0.00 59.36 57.86 1udm h GLU 91 Cb 0.91 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 29.50 1udm h GLU 91 CO 0.42 0.00 -1.37 -3.47 -1.18 0.00 0.00 179.01 173.41 1udm n ASP 92 N -2.67 0.50 -4.56 1.04 2.03 -1.20 -4.96 116.55 106.72 1udm n ASP 92 Ca 0.02 0.09 -0.41 0.00 0.52 0.00 0.00 54.79 55.00 1udm n ASP 92 Cb 0.28 1.08 0.02 0.00 -0.72 0.00 0.00 41.12 41.78 1udm n ASP 92 CO 0.00 0.00 0.00 0.52 -1.92 0.00 0.00 177.20 175.80 1udm n VAL 93 N -2.37 2.40 -1.99 5.18 0.31 -0.97 -4.87 118.33 116.01 1udm n VAL 93 Ca -0.01 -0.50 -0.42 0.00 -0.01 0.00 0.00 64.34 63.40 1udm n VAL 93 Cb 0.53 -0.96 -0.02 0.00 -0.91 0.00 0.00 33.84 32.47 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 -0.87 6.63 0.28 4.52 0.15 -1.26 -4.73 113.70 118.42 1udm s SER 94 Ca 0.65 2.66 0.17 0.00 0.70 0.00 0.00 55.95 60.13 1udm s SER 94 Cb -0.55 -2.62 0.99 0.00 -1.71 0.00 0.00 66.02 62.13 1udm s SER 94 CO 0.56 -0.73 1.12 0.61 1.20 0.00 0.00 173.24 176.00 1udm n GLY 95 N 2.53 -0.55 0.48 9.45 0.00 -1.26 0.25 105.19 116.09 1udm n GLY 95 Ca 0.08 0.57 -0.18 0.00 0.00 0.00 0.00 46.02 46.49 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 -1.21 -1.40 0.99 7.12 -1.96 0.80 115.31 119.65 1udm h LEU 96 Ca 0.61 0.08 0.07 0.00 0.13 0.00 0.00 57.88 58.77 1udm h LEU 96 Cb 1.71 0.37 -0.05 0.00 -0.53 0.00 0.00 40.66 42.16 1udm h LEU 96 CO -0.49 -0.68 0.47 1.56 -0.13 0.00 0.00 178.44 179.17 1udm h GLN 97 N -1.06 0.69 -0.07 1.25 1.08 -0.55 0.12 115.11 116.56 1udm h GLN 97 Ca -0.09 -0.04 -0.16 0.00 -1.45 0.00 0.00 58.65 56.91 1udm h GLN 97 Cb 0.87 -0.16 -0.01 0.00 -0.05 0.00 0.00 27.48 28.14 1udm h GLN 97 CO 0.05 0.46 -0.65 -0.09 -0.95 0.00 0.00 178.83 177.64 1udm h ARG 98 N 0.71 0.29 -0.00 1.46 2.43 -0.91 -1.98 114.38 116.37 1udm h ARG 98 Ca 0.32 -0.21 0.00 0.00 -0.81 0.00 0.00 59.98 59.28 1udm h ARG 98 Cb 0.32 0.04 0.00 0.00 -0.42 0.00 0.00 29.97 29.91 1udm h ARG 98 CO -0.11 0.84 -0.14 0.00 -1.51 0.00 0.00 179.97 179.05 1udm n ALA 99 N -2.48 2.82 -0.11 2.80 0.00 0.28 -3.93 120.51 119.88 1udm n ALA 99 Ca -0.03 -0.29 -0.23 0.00 0.00 0.00 0.00 53.44 52.89 1udm n ALA 99 Cb 0.65 -1.30 -0.12 0.00 0.00 0.00 0.00 19.45 18.69 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 -0.93 0.63 -0.24 0.00 4.76 0.27 -4.15 118.16 118.49 1udm n LYS 100 Ca 0.14 0.26 0.19 0.00 -2.87 0.00 0.00 58.31 56.03 1udm n LYS 100 Cb 0.29 -1.57 0.51 0.00 -1.84 0.00 0.00 35.03 32.42 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 -0.48 0.68 -0.26 -0.18 2.02 -1.48 0.74 112.91 113.95 1udm h THR 101 Ca -0.57 -0.14 -0.14 0.00 0.77 0.00 0.00 66.41 66.33 1udm h THR 101 Cb 1.74 0.23 -0.01 0.00 -1.74 0.00 0.00 68.15 68.38 1udm h THR 101 CO -0.20 0.07 -0.40 1.23 0.37 0.00 0.00 175.52 176.60 1udm h GLY 102 N 0.41 0.67 1.16 2.16 0.00 -1.76 -2.72 103.07 103.00 1udm h GLY 102 Ca 0.47 -0.67 -0.17 0.00 0.00 0.00 0.00 47.33 46.96 1udm h GLY 102 CO -0.18 0.61 -0.44 -0.84 0.00 0.00 0.00 176.54 175.69 1udm h THR 103 N 0.51 1.27 0.00 4.70 2.02 -1.05 -2.69 112.91 117.67 1udm h THR 103 Ca 0.04 -1.61 0.00 0.00 0.77 0.00 0.00 66.41 65.61 1udm h THR 103 Cb 0.91 1.46 0.00 0.00 -1.74 0.00 0.00 68.15 68.78 1udm h THR 103 CO 0.08 0.54 0.00 0.47 0.37 0.00 0.00 175.52 176.98 1udm n ASP 104 N -4.04 0.00 -0.03 4.18 8.00 -0.64 -3.23 116.55 120.80 1udm n ASP 104 Ca -0.03 -0.21 0.01 0.00 0.71 0.00 0.00 54.79 55.27 1udm n ASP 104 Cb 0.57 -0.22 0.32 0.00 -0.02 0.00 0.00 41.12 41.77 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 0.60 -0.14 -1.24 3.64 -1.15 -1.80 116.57 116.48 1udm h LYS 105 Ca 0.00 -0.09 0.04 0.00 -1.27 0.00 0.00 60.65 59.33 1udm h LYS 105 Cb 0.16 -0.11 -0.01 0.00 -0.41 0.00 0.00 32.23 31.87 1udm h LYS 105 CO 0.00 0.52 0.25 1.15 -2.27 0.00 0.00 179.45 179.10 1udm h THR 106 N 0.59 0.25 0.04 1.00 2.02 -1.74 -0.49 112.91 114.58 1udm h THR 106 Ca 0.14 0.00 -0.06 0.00 0.77 0.00 0.00 66.41 67.26 1udm h THR 106 Cb 0.17 0.78 0.01 0.00 -1.74 0.00 0.00 68.15 67.37 1udm h THR 106 CO -0.01 0.00 -0.26 -0.07 0.37 0.00 0.00 175.52 175.55 1udm h LEU 107 N 0.00 0.16 -1.22 2.58 3.38 -1.58 -3.20 115.31 115.43 1udm h LEU 107 Ca 0.07 -0.95 -0.05 0.00 0.09 0.00 0.00 57.88 57.04 1udm h LEU 107 Cb 0.57 -0.05 -0.02 0.00 0.09 0.00 0.00 40.66 41.25 1udm h LEU 107 CO -0.00 1.10 -0.01 0.58 0.09 0.00 0.00 178.44 180.19 1udm h VAL 108 N -0.75 1.20 -0.24 1.22 2.07 -1.31 -2.35 116.25 116.10 1udm h VAL 108 Ca -0.04 -0.80 -0.04 0.00 0.82 0.00 0.00 66.70 66.64 1udm h VAL 108 Cb 1.17 0.97 -0.01 0.00 -1.52 0.00 0.00 31.29 31.90 1udm h VAL 108 CO 0.05 0.27 -0.02 0.50 0.02 0.00 0.00 177.57 178.40 1udm h LYS 109 N 0.49 0.35 -0.97 1.57 3.11 -1.24 -2.33 116.57 117.56 1udm h LYS 109 Ca 0.10 -0.06 0.23 0.00 -2.81 0.00 0.00 60.65 58.11 1udm h LYS 109 Cb 0.34 -0.06 -0.12 0.00 -1.00 0.00 0.00 32.23 31.40 1udm h LYS 109 CO 0.01 0.40 0.54 0.93 -2.81 0.00 0.00 179.45 178.51 1udm h GLU 110 N 0.34 0.54 0.18 1.90 4.39 -1.41 -1.60 114.58 118.93 1udm h GLU 110 Ca 0.08 -0.03 -0.35 0.00 0.34 0.00 0.00 59.36 59.40 1udm h GLU 110 Cb 0.26 -0.12 0.01 0.00 -0.10 0.00 0.00 28.75 28.80 1udm h GLU 110 CO 0.01 0.36 -1.72 0.28 -1.16 0.00 0.00 179.01 176.77 1udm h VAL 111 N 0.56 0.95 -3.14 3.13 2.07 -1.60 -3.42 116.25 114.79 1udm h VAL 111 Ca 0.60 -2.50 -0.74 0.00 0.82 0.00 0.00 66.70 64.88 1udm h VAL 111 Cb 1.11 2.77 -0.22 0.00 -1.52 0.00 0.00 31.29 33.42 1udm h VAL 111 CO -0.47 0.85 0.12 -0.69 0.02 0.00 0.00 177.57 177.40 1udm s VAL 112 N -2.57 5.12 0.00 2.57 1.01 -0.60 -4.73 120.40 121.19 1udm s VAL 112 Ca -0.16 -1.59 0.00 0.00 0.00 0.00 0.00 61.98 60.23 1udm s VAL 112 Cb 0.05 -4.48 0.00 0.00 0.00 0.00 0.00 36.38 31.95 1udm s VAL 112 CO 0.85 -1.09 0.00 0.00 0.00 0.00 0.00 175.10 174.86 1udm n GLN 113 N 5.45 1.06 0.27 2.72 6.02 -1.23 -4.56 117.38 127.11 1udm n GLN 113 Ca -0.00 0.00 0.14 0.00 -0.01 0.00 0.00 57.00 57.12 1udm n GLN 113 Cb 0.44 -0.93 0.78 0.00 1.02 0.00 0.00 30.24 31.56 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 -0.86 1.08 -1.24 -1.93 -3.43 115.58 109.20 1udm h ASN 114 Ca 0.00 0.00 -0.02 0.00 0.71 0.00 0.00 56.30 56.99 1udm h ASN 114 Cb 0.85 0.00 0.01 0.00 0.73 0.00 0.00 38.32 39.91 1udm h ASN 114 CO 0.00 0.08 -0.01 2.22 -1.29 0.00 0.00 177.43 178.44 1udm n PHE 115 N -3.68 -1.60 -0.01 0.67 -1.74 -1.26 -4.89 117.46 104.95 1udm n PHE 115 Ca -0.02 -0.03 -0.01 0.00 -0.56 0.00 0.00 57.45 56.83 1udm n PHE 115 Cb 0.19 -0.09 -0.00 0.00 1.52 0.00 0.00 39.48 41.10 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 -2.43 0.08 -3.61 1.98 0.00 0.57 -4.89 120.51 112.22 1udm n ALA 116 Ca -0.01 -0.20 -0.10 0.00 0.00 0.00 0.00 53.44 53.13 1udm n ALA 116 Cb 0.03 0.00 -0.02 0.00 0.00 0.00 0.00 19.45 19.46 1udm n ALA 116 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 177.50 177.71 1udm s LYS 117 N -1.22 1.49 -0.22 0.00 2.20 -1.26 -4.77 119.74 115.96 1udm s LYS 117 Ca -0.03 -0.69 -0.22 0.00 -0.36 0.00 0.00 55.97 54.67 1udm s LYS 117 Cb 0.00 0.60 -0.02 0.00 -1.51 0.00 0.00 37.83 36.90 1udm s LYS 117 CO 0.04 -0.67 0.69 -1.83 -0.36 0.00 0.00 175.35 173.22 1udm s GLU 118 N -3.81 4.19 -0.53 4.03 1.03 -1.26 -1.44 118.70 120.90 1udm s GLU 118 Ca 0.05 0.70 -0.17 0.00 0.03 0.00 0.00 54.97 55.59 1udm s GLU 118 Cb -0.03 -3.61 0.11 0.00 -0.80 0.00 0.00 34.13 29.80 1udm s GLU 118 CO -0.04 -0.34 0.52 -0.06 -1.33 0.00 0.00 175.26 174.00 1udm s PHE 119 N 2.26 3.19 -0.73 4.83 0.40 0.28 -4.90 117.98 123.31 1udm s PHE 119 Ca 0.30 -1.11 -0.27 0.00 -0.60 0.00 0.00 56.93 55.25 1udm s PHE 119 Cb -0.16 -3.69 0.03 0.00 0.51 0.00 0.00 43.02 39.72 1udm s PHE 119 CO 0.10 -1.02 1.27 0.08 0.70 0.00 0.00 175.22 176.34 1udm s VAL 120 N 1.87 3.75 -0.06 -0.44 1.01 -1.26 0.11 120.40 125.37 1udm s VAL 120 Ca 0.05 0.41 0.02 0.00 0.00 0.00 0.00 61.98 62.47 1udm s VAL 120 Cb -0.27 -4.91 -0.03 0.00 0.00 0.00 0.00 36.38 31.18 1udm s VAL 120 CO 0.05 -1.83 -0.11 -0.63 0.00 0.00 0.00 175.10 172.58 1udm s ILE 121 N 5.66 3.30 -0.01 2.22 1.01 0.57 -4.94 121.20 129.01 1udm s ILE 121 Ca 0.35 -0.63 0.01 0.00 0.00 0.00 0.00 60.65 60.38 1udm s ILE 121 Cb -0.08 -2.32 -0.01 0.00 0.01 0.00 0.00 42.46 40.06 1udm s ILE 121 CO 0.15 0.59 0.02 -1.20 0.00 0.00 0.00 174.94 174.50 1udm n SER 122 N 2.36 2.57 -4.24 3.58 7.64 -1.26 -0.96 113.62 123.32 1udm n SER 122 Ca -0.17 -0.24 -0.32 0.00 1.01 0.00 0.00 58.87 59.14 1udm n SER 122 Cb 0.52 1.02 -0.16 0.00 -1.01 0.00 0.00 64.21 64.58 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 -1.60 3.33 0.38 6.43 2.15 -1.26 -3.14 116.67 122.96 1udm s ASP 123 Ca -0.00 -0.52 0.13 0.00 0.43 0.00 0.00 52.55 52.58 1udm s ASP 123 Cb 0.00 -1.48 0.94 0.00 -0.30 0.00 0.00 42.92 42.09 1udm s ASP 123 CO 0.03 0.12 1.85 0.03 -0.17 0.00 0.00 175.17 177.03 1udm h ARG 124 N 6.99 0.54 0.00 4.34 3.08 -1.94 0.21 114.38 127.60 1udm h ARG 124 Ca -0.26 -0.03 0.00 0.00 0.07 0.00 0.00 59.98 59.76 1udm h ARG 124 Cb 1.21 -0.12 0.00 0.00 0.08 0.00 0.00 29.97 31.14 1udm h ARG 124 CO 0.52 0.36 0.35 0.87 -1.07 0.00 0.00 179.97 181.00 1udm h LYS 125 N 0.56 0.00 0.00 0.04 1.79 -2.01 0.91 116.57 117.85 1udm h LYS 125 Ca 0.48 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.95 1udm h LYS 125 Cb 0.97 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.62 1udm h LYS 125 CO -0.22 0.00 -1.55 0.39 -1.08 0.00 0.00 179.45 176.99 1udm n GLU 126 N -2.35 0.73 0.14 3.15 1.02 0.74 -4.29 120.64 119.78 1udm n GLU 126 Ca -0.01 -0.12 0.12 0.00 -0.02 0.00 0.00 57.16 57.13 1udm n GLU 126 Cb 0.37 -1.40 0.52 0.00 -0.02 0.00 0.00 31.44 30.92 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 -1.93 0.67 -4.49 -4.62 7.99 0.31 -4.53 117.00 110.40 1udm n LEU 127 Ca -0.02 0.69 -0.43 0.00 -0.01 0.00 0.00 56.01 56.25 1udm n LEU 127 Cb 0.41 -0.64 -0.08 0.00 -0.11 0.00 0.00 43.42 43.00 1udm n LEU 127 CO 0.37 -0.66 2.01 -0.62 -1.51 0.00 0.00 177.39 176.98 1udm n GLU 128 N -2.27 0.70 -0.39 3.23 1.02 -1.19 -4.73 120.64 117.00 1udm n GLU 128 Ca 0.01 0.09 0.33 0.00 -0.02 0.00 0.00 57.16 57.57 1udm n GLU 128 Cb 0.19 -2.46 0.55 0.00 -0.02 0.00 0.00 31.44 29.70 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 8.55 -0.03 -0.12 3.49 2.13 -1.26 0.15 120.64 133.55 1udm n GLU 129 Ca 0.48 1.02 -0.05 0.00 0.66 0.00 0.00 57.16 59.27 1udm n GLU 129 Cb 0.27 -2.01 0.03 0.00 0.27 0.00 0.00 31.44 29.99 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 -0.16 -0.19 4.31 5.19 -1.94 -0.83 116.42 122.81 1udm h ASP 130 Ca 0.72 0.09 -0.10 0.00 -0.62 0.00 0.00 57.03 57.12 1udm h ASP 130 Cb 2.32 0.16 -0.02 0.00 0.18 0.00 0.00 39.33 41.97 1udm h ASP 130 CO -0.37 -0.04 -0.19 0.15 -3.12 0.00 0.00 179.24 175.66 1udm h PHE 131 N 0.11 0.69 0.29 4.55 3.57 0.11 -3.08 116.94 123.17 1udm h PHE 131 Ca 0.19 -0.14 -0.01 0.00 3.53 0.00 0.00 57.97 61.55 1udm h PHE 131 Cb 0.27 -0.17 -0.00 0.00 2.79 0.00 0.00 35.95 38.84 1udm h PHE 131 CO -0.26 0.77 -0.16 0.82 -2.23 0.00 0.00 178.31 177.24 1udm h ILE 132 N 0.55 0.66 -0.08 1.41 1.08 -0.98 -3.00 117.51 117.16 1udm h ILE 132 Ca 0.09 0.00 0.04 0.00 -0.39 0.00 0.00 64.86 64.59 1udm h ILE 132 Cb 0.63 0.66 -0.06 0.00 -3.07 0.00 0.00 36.82 34.99 1udm h ILE 132 CO 0.04 0.00 -0.44 0.03 -0.69 0.00 0.00 178.15 177.09 1udm h ARG 133 N -0.42 -0.53 -0.99 2.37 -0.00 -1.16 -0.72 114.38 112.93 1udm h ARG 133 Ca -0.03 0.04 0.37 0.00 -0.50 0.00 0.00 59.98 59.85 1udm h ARG 133 Cb 0.34 0.12 -0.17 0.00 0.00 0.00 0.00 29.97 30.26 1udm h ARG 133 CO 0.04 -0.35 0.42 1.03 0.00 0.00 0.00 179.97 181.11 1udm h SER 134 N -0.55 0.17 0.62 7.04 0.87 -1.47 -0.16 113.55 120.07 1udm h SER 134 Ca 0.06 0.25 -0.03 0.00 -1.23 0.00 0.00 61.79 60.84 1udm h SER 134 Cb 0.65 0.29 0.01 0.00 -0.44 0.00 0.00 62.40 62.91 1udm h SER 134 CO -0.37 -0.36 -0.30 -0.33 -0.53 0.00 0.00 176.83 174.93 1udm h GLU 135 N 0.06 -0.81 -0.99 2.24 4.39 -1.00 -3.01 114.58 115.47 1udm h GLU 135 Ca 0.77 0.05 0.37 0.00 0.34 0.00 0.00 59.36 60.89 1udm h GLU 135 Cb 1.89 0.18 -0.17 0.00 -0.10 0.00 0.00 28.75 30.56 1udm h GLU 135 CO -0.77 -0.54 0.46 -0.07 -1.16 0.00 0.00 179.01 176.93 1udm h LEU 136 N -0.92 0.24 -0.93 1.33 3.38 -0.68 2.24 115.31 119.97 1udm h LEU 136 Ca -0.09 0.24 0.19 0.00 0.09 0.00 0.00 57.88 58.32 1udm h LEU 136 Cb 0.64 0.27 -0.11 0.00 0.09 0.00 0.00 40.66 41.55 1udm h LEU 136 CO 0.14 -0.34 0.51 0.50 0.09 0.00 0.00 178.44 179.34 1udm h LYS 137 N 0.09 0.60 -0.09 1.13 3.64 -1.21 -1.68 116.57 119.06 1udm h LYS 137 Ca 0.77 -0.04 0.00 0.00 -1.27 0.00 0.00 60.65 60.12 1udm h LYS 137 Cb 1.92 -0.13 0.00 0.00 -0.41 0.00 0.00 32.23 33.60 1udm h LYS 137 CO -0.74 0.39 0.00 1.63 -2.27 0.00 0.00 179.45 178.46 1udm n LYS 138 N -4.88 1.36 -1.52 1.90 5.02 0.29 -5.05 118.16 115.28 1udm n LYS 138 Ca 0.22 -1.30 -0.40 0.00 -2.02 0.00 0.00 58.31 54.81 1udm n LYS 138 Cb 0.58 -1.12 0.02 0.00 -0.02 0.00 0.00 35.03 34.49 1udm n LYS 138 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1udm n ALA 139 N 0.14 -0.68 -1.10 7.82 0.00 0.68 -5.00 120.51 122.36 1udm n ALA 139 Ca 0.04 0.11 0.00 0.00 0.00 0.00 0.00 53.44 53.59 1udm n ALA 139 Cb 0.23 -1.92 0.00 0.00 0.00 0.00 0.00 19.45 17.76 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 1.54 0.82 0.00 0.00 0.00 -1.26 -4.97 105.19 101.32 1udm n GLY 140 Ca 0.11 -1.55 0.00 0.00 0.00 0.00 0.00 46.02 44.58 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 5.00 -0.41 3.61 -0.02 0.00 -1.26 -4.85 105.19 107.26 1udm n GLY 141 Ca 0.00 -1.74 -0.36 0.00 0.00 0.00 0.00 46.02 43.92 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 -1.88 3.46 -0.04 4.61 0.00 -1.26 -5.08 121.76 121.57 1udm s ALA 142 Ca 0.00 -0.90 -0.25 0.00 0.00 0.00 0.00 51.96 50.82 1udm s ALA 142 Cb 0.00 -2.16 -0.04 0.00 0.00 0.00 0.00 23.12 20.92 1udm s ALA 142 CO 0.00 -0.14 0.76 -0.80 0.00 0.00 0.00 175.76 175.58 1udm s ASN 143 N 0.97 7.09 0.05 0.00 -0.87 -1.26 -5.04 114.94 115.89 1udm s ASN 143 Ca 0.06 1.32 -0.27 0.00 -1.57 0.00 0.00 52.86 52.39 1udm s ASN 143 Cb -0.14 -2.45 0.09 0.00 -0.02 0.00 0.00 41.25 38.73 1udm s ASN 143 CO 0.03 -0.12 0.82 -0.72 -2.57 0.00 0.00 177.10 174.54 1udm s TYR 144 N 0.71 -0.37 -0.15 2.20 1.13 -1.26 -5.18 117.35 114.44 1udm s TYR 144 Ca 0.40 0.20 -0.12 0.00 -1.41 0.00 0.00 57.07 56.14 1udm s TYR 144 Cb -0.19 0.56 0.04 0.00 -1.10 0.00 0.00 41.96 41.27 1udm s TYR 144 CO 0.21 -0.65 0.38 0.16 -2.51 0.00 0.00 175.55 173.14 1udm s ASP 145 N -2.59 -0.42 -0.12 -0.18 -4.77 -1.26 -5.06 116.67 102.27 1udm s ASP 145 Ca 0.05 0.79 -0.19 0.00 -3.30 0.00 0.00 52.55 49.90 1udm s ASP 145 Cb -0.01 0.77 -0.26 0.00 -1.09 0.00 0.00 42.92 42.32 1udm s ASP 145 CO -0.09 -0.15 0.56 0.00 0.70 0.00 0.00 175.17 176.19 1udm h ALA 146 N 5.93 0.15 -4.28 2.11 0.00 -2.04 -3.47 119.26 117.65 1udm h ALA 146 Ca -0.29 -1.00 -0.23 0.00 0.00 0.00 0.00 54.91 53.39 1udm h ALA 146 Cb 1.18 0.43 -0.02 0.00 0.00 0.00 0.00 17.79 19.38 1udm h ALA 146 CO 0.28 0.66 -0.31 0.00 0.00 0.00 0.00 179.25 179.88 1udm n GLN 147 N -4.11 -2.54 -2.32 0.00 10.64 -1.26 -4.92 117.38 112.88 1udm n GLN 147 Ca -0.23 0.48 -0.30 0.00 -1.83 0.00 0.00 57.00 55.12 1udm n GLN 147 Cb 0.81 -5.08 -0.00 0.00 -0.86 0.00 0.00 30.24 25.10 1udm n GLN 147 CO 0.00 0.00 0.00 -1.54 -1.83 0.00 0.00 177.06 173.69 1udm s SER 148 N -2.14 6.31 0.00 2.61 1.04 -1.26 -5.38 113.70 114.88 1udm s SER 148 Ca 0.07 1.21 0.24 0.00 0.48 0.00 0.00 55.95 57.95 1udm s SER 148 Cb -0.04 -2.37 0.22 0.00 0.10 0.00 0.00 66.02 63.93 1udm s SER 148 CO 0.08 -0.68 1.27 1.21 0.98 0.00 0.00 173.24 176.10