#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1udm n SER 2 N 0.00 -3.60 -4.15 1.61 3.41 -1.26 -4.91 113.62 104.71 1udm n SER 2 Ca 0.00 -0.04 -0.36 0.00 -0.26 0.00 0.00 58.87 58.21 1udm n SER 2 Cb 0.00 -3.04 -0.12 0.00 -0.26 0.00 0.00 64.21 60.79 1udm n SER 2 CO 0.00 0.00 0.00 -1.61 -0.16 0.00 0.00 175.04 173.27 1udm s GLU 3 N -5.47 2.20 -0.21 4.33 2.02 -1.26 -5.06 118.70 115.25 1udm s GLU 3 Ca 0.18 -1.57 -0.27 0.00 0.02 0.00 0.00 54.97 53.33 1udm s GLU 3 Cb -0.10 -3.43 0.08 0.00 0.10 0.00 0.00 34.13 30.78 1udm s GLU 3 CO 0.22 -0.88 0.76 0.20 0.02 0.00 0.00 175.26 175.59 1udm s GLY 4 N 1.58 -0.49 0.16 -1.39 0.00 -1.26 -4.13 107.32 101.79 1udm s GLY 4 Ca 0.03 1.93 -0.21 0.00 0.00 0.00 0.00 44.72 46.47 1udm s GLY 4 CO -0.02 1.52 0.55 0.00 0.00 0.00 0.00 173.10 175.14 1udm s ALA 5 N -0.13 -1.37 -0.24 3.20 0.00 -1.26 -5.12 121.76 116.84 1udm s ALA 5 Ca -0.03 0.28 -0.15 0.00 0.00 0.00 0.00 51.96 52.07 1udm s ALA 5 Cb -0.03 0.83 -0.04 0.00 0.00 0.00 0.00 23.12 23.88 1udm s ALA 5 CO 0.02 -0.74 0.37 0.00 0.00 0.00 0.00 175.76 175.41 1udm s ALA 6 N -3.78 3.57 -0.01 0.00 0.00 -1.26 -4.87 121.76 115.41 1udm s ALA 6 Ca 0.02 -0.70 -0.24 0.00 0.00 0.00 0.00 51.96 51.04 1udm s ALA 6 Cb -0.00 -2.65 0.05 0.00 0.00 0.00 0.00 23.12 20.52 1udm s ALA 6 CO -0.12 -0.47 0.54 -0.08 0.00 0.00 0.00 175.76 175.63 1udm s THR 7 N 1.67 0.02 -1.60 0.00 -1.32 -1.26 -5.02 115.64 108.14 1udm s THR 7 Ca 0.16 -0.19 0.03 0.00 -1.21 0.00 0.00 61.69 60.47 1udm s THR 7 Cb -0.15 -0.90 0.09 0.00 -1.51 0.00 0.00 72.50 70.03 1udm s THR 7 CO 0.09 -0.11 0.92 0.23 -2.21 0.00 0.00 174.62 173.54 1udm n MET 8 N 0.84 1.32 -4.26 7.08 2.81 -1.26 -4.81 117.12 118.84 1udm n MET 8 Ca -0.19 -0.37 -0.29 0.00 -1.81 0.00 0.00 57.70 55.04 1udm n MET 8 Cb 0.58 -1.27 -0.10 0.00 -0.71 0.00 0.00 33.22 31.72 1udm n MET 8 CO 0.00 0.00 0.00 0.00 1.51 0.00 0.00 175.97 177.48 1udm s ALA 9 N -1.64 2.89 -0.12 3.04 0.00 -1.26 -5.13 121.76 119.54 1udm s ALA 9 Ca 0.07 -1.32 -0.29 0.00 0.00 0.00 0.00 51.96 50.41 1udm s ALA 9 Cb 0.04 -0.80 0.07 0.00 0.00 0.00 0.00 23.12 22.43 1udm s ALA 9 CO 0.04 0.59 0.71 0.99 0.00 0.00 0.00 175.76 178.09 1udm s THR 10 N -1.31 0.00 0.36 0.00 2.01 -1.26 -4.89 115.64 110.55 1udm s THR 10 Ca 0.21 0.00 0.07 0.00 0.31 0.00 0.00 61.69 62.28 1udm s THR 10 Cb -0.10 -1.00 -0.03 0.00 0.01 0.00 0.00 72.50 71.38 1udm s THR 10 CO 0.13 0.00 0.25 -0.54 -0.69 0.00 0.00 174.62 173.78 1udm s LYS 11 N -0.72 1.85 -0.01 4.92 1.02 -0.89 -5.00 119.74 120.91 1udm s LYS 11 Ca -0.07 -2.10 -0.01 0.00 0.02 0.00 0.00 55.97 53.81 1udm s LYS 11 Cb -0.02 0.11 0.01 0.00 -0.52 0.00 0.00 37.83 37.41 1udm s LYS 11 CO 0.07 -0.64 0.03 -1.50 -0.92 0.00 0.00 175.35 172.40 1udm s ILE 12 N -3.34 -0.01 -0.05 2.17 2.07 -1.26 -0.77 121.20 120.02 1udm s ILE 12 Ca 0.36 0.02 -0.04 0.00 -1.41 0.00 0.00 60.65 59.58 1udm s ILE 12 Cb 0.02 -0.06 -0.15 0.00 0.13 0.00 0.00 42.46 42.39 1udm s ILE 12 CO 0.25 0.01 3.07 0.47 -1.91 0.00 0.00 174.94 176.83 1udm n ASP 13 N 3.16 5.41 -0.05 4.50 9.92 0.19 -4.72 116.55 134.95 1udm n ASP 13 Ca -0.13 -2.54 0.01 0.00 -0.53 0.00 0.00 54.79 51.60 1udm n ASP 13 Cb 0.59 -1.31 0.02 0.00 -0.64 0.00 0.00 41.12 39.78 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 2.03 -0.01 0.20 -1.24 5.02 -1.26 0.23 118.16 123.12 1udm n LYS 14 Ca 0.31 0.24 -0.17 0.00 -2.02 0.00 0.00 58.31 56.67 1udm n LYS 14 Cb 0.77 -0.36 -0.10 0.00 -0.02 0.00 0.00 35.03 35.32 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 -0.84 -0.34 1.97 4.11 -1.98 0.37 114.58 117.87 1udm h GLU 15 Ca 0.08 0.06 -0.10 0.00 0.07 0.00 0.00 59.36 59.46 1udm h GLU 15 Cb 0.12 0.19 -0.01 0.00 0.50 0.00 0.00 28.75 29.55 1udm h GLU 15 CO -0.16 -0.56 -0.21 0.00 0.07 0.00 0.00 179.01 178.16 1udm h ALA 16 N -0.66 1.01 0.68 1.06 0.00 0.25 -3.17 119.26 118.41 1udm h ALA 16 Ca -0.03 -0.34 -0.03 0.00 0.00 0.00 0.00 54.91 54.50 1udm h ALA 16 Cb 0.81 -0.14 0.01 0.00 0.00 0.00 0.00 17.79 18.47 1udm h ALA 16 CO -0.18 0.59 -0.32 0.00 0.00 0.00 0.00 179.25 179.33 1udm h ARG 18 N -0.92 0.00 0.01 0.00 2.43 -0.32 0.46 114.38 116.03 1udm h ARG 18 Ca -0.09 -0.00 0.03 0.00 -0.81 0.00 0.00 59.98 59.10 1udm h ARG 18 Cb 0.70 -0.00 -0.04 0.00 -0.42 0.00 0.00 29.97 30.21 1udm h ARG 18 CO 0.15 0.00 -0.19 0.00 -1.51 0.00 0.00 179.97 178.42 1udm h ALA 19 N 2.00 -0.25 -0.30 2.80 0.00 -1.49 -0.57 119.26 121.45 1udm h ALA 19 Ca 0.71 0.00 -0.01 0.00 0.00 0.00 0.00 54.91 55.61 1udm h ALA 19 Cb 1.67 0.33 -0.01 0.00 0.00 0.00 0.00 17.79 19.78 1udm h ALA 19 CO -0.87 -0.69 0.15 0.00 0.00 0.00 0.00 179.25 177.84 1udm h ALA 20 N 0.58 0.38 0.00 0.00 0.00 0.05 0.39 119.26 120.66 1udm h ALA 20 Ca 0.05 -0.09 0.00 0.00 0.00 0.00 0.00 54.91 54.88 1udm h ALA 20 Cb 0.38 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 18.05 1udm h ALA 20 CO -0.17 -0.07 0.00 -0.92 0.00 0.00 0.00 179.25 178.09 1udm h TYR 21 N 0.35 0.00 0.04 0.00 3.20 -0.74 -2.52 116.97 117.30 1udm h TYR 21 Ca 0.10 0.00 -0.30 0.00 3.14 0.00 0.00 58.73 61.67 1udm h TYR 21 Cb 0.10 0.00 -0.03 0.00 1.54 0.00 0.00 36.73 38.34 1udm h TYR 21 CO -0.02 0.00 -1.65 0.09 -1.64 0.00 0.00 178.16 174.93 1udm n ASN 22 N -2.98 1.96 0.32 -2.11 3.02 -0.25 -2.41 115.26 112.81 1udm n ASN 22 Ca -0.03 0.33 0.08 0.00 -0.03 0.00 0.00 54.58 54.93 1udm n ASN 22 Cb 0.07 -0.90 0.40 0.00 -0.61 0.00 0.00 39.78 38.74 1udm n ASN 22 CO 0.00 0.00 0.00 -0.07 -2.62 0.00 0.00 177.26 174.57 1udm h LEU 23 N -0.62 0.00 0.00 3.41 -0.00 -0.49 0.38 115.31 117.98 1udm h LEU 23 Ca -0.41 0.00 -0.22 0.00 -0.00 0.00 0.00 57.88 57.25 1udm h LEU 23 Cb 1.59 0.00 -0.04 0.00 -0.00 0.00 0.00 40.66 42.21 1udm h LEU 23 CO -0.13 0.00 -1.82 0.55 -0.00 0.00 0.00 178.44 177.04 1udm n VAL 24 N -2.70 0.82 0.22 1.22 3.14 -1.19 -3.74 118.33 116.09 1udm n VAL 24 Ca -0.01 -0.37 0.06 0.00 -2.96 0.00 0.00 64.34 61.06 1udm n VAL 24 Cb 0.71 -0.92 0.49 0.00 -1.06 0.00 0.00 33.84 33.06 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 -7.27 1.45 2.43 -0.37 -3.44 114.38 107.17 1udm h ARG 25 Ca -0.32 0.00 -0.52 0.00 -0.81 0.00 0.00 59.98 58.33 1udm h ARG 25 Cb 1.57 0.00 0.16 0.00 -0.42 0.00 0.00 29.97 31.27 1udm h ARG 25 CO -0.03 0.26 0.30 0.34 -1.51 0.00 0.00 179.97 179.32 1udm s ASP 26 N -6.74 3.94 0.08 -3.80 2.15 0.10 -4.94 116.67 107.46 1udm s ASP 26 Ca -0.03 2.04 -0.20 0.00 0.43 0.00 0.00 52.55 54.79 1udm s ASP 26 Cb 0.14 -2.55 -0.07 0.00 -0.30 0.00 0.00 42.92 40.14 1udm s ASP 26 CO 0.68 -2.42 1.33 -2.24 -0.17 0.00 0.00 175.17 172.36 1udm h ASP 27 N -1.20 -1.10 -1.35 -0.34 3.04 -1.90 -3.38 116.42 110.20 1udm h ASP 27 Ca -0.44 0.14 -0.38 0.00 -3.24 0.00 0.00 57.03 53.11 1udm h ASP 27 Cb 1.25 0.44 -0.27 0.00 -1.04 0.00 0.00 39.33 39.72 1udm h ASP 27 CO 0.48 -0.26 -0.77 0.61 -2.04 0.00 0.00 179.24 177.26 1udm n GLY 28 N -1.24 1.11 1.10 7.15 0.00 -1.26 -4.96 105.19 107.09 1udm n GLY 28 Ca -0.03 -0.56 0.01 0.00 0.00 0.00 0.00 46.02 45.44 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 2.22 2.91 -0.97 1.61 2.88 -1.26 -4.82 113.62 116.19 1udm n SER 29 Ca 0.20 -2.40 -0.10 0.00 -1.33 0.00 0.00 58.87 55.24 1udm n SER 29 Cb 0.55 -0.58 -0.02 0.00 -0.75 0.00 0.00 64.21 63.40 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 0.20 -0.23 -3.46 -1.46 0.00 -1.26 -4.96 120.51 109.35 1udm n ALA 30 Ca 0.12 0.12 -0.12 0.00 0.00 0.00 0.00 53.44 53.57 1udm n ALA 30 Cb 0.66 -1.29 -0.11 0.00 0.00 0.00 0.00 19.45 18.71 1udm n ALA 30 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 1udm s VAL 31 N -2.44 -0.01 -0.00 0.00 1.01 -1.25 -3.99 120.40 113.72 1udm s VAL 31 Ca 0.00 0.04 0.01 0.00 0.00 0.00 0.00 61.98 62.03 1udm s VAL 31 Cb 0.00 -0.55 -0.01 0.00 0.00 0.00 0.00 36.38 35.82 1udm s VAL 31 CO 0.00 0.02 0.01 2.30 0.00 0.00 0.00 175.10 177.43 1udm n ILE 32 N 3.47 0.01 -4.18 2.22 -5.35 -1.08 -4.09 119.36 110.35 1udm n ILE 32 Ca -0.18 -0.02 -0.12 0.00 -0.27 0.00 0.00 62.75 62.16 1udm n ILE 32 Cb 0.56 0.30 -0.10 0.00 -1.74 0.00 0.00 39.64 38.66 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 -2.05 0.97 -0.26 4.28 1.48 -0.95 -0.47 118.94 121.93 1udm s TRP 33 Ca -0.00 -0.81 -0.21 0.00 -1.06 0.00 0.00 56.10 54.02 1udm s TRP 33 Cb 0.00 -0.54 0.07 0.00 -1.16 0.00 0.00 33.47 31.85 1udm s TRP 33 CO 0.03 -0.08 0.69 0.54 -4.06 0.00 0.00 176.95 174.07 1udm s VAL 34 N -3.17 -0.00 0.08 -0.66 0.11 0.02 -2.87 120.40 113.91 1udm s VAL 34 Ca 0.10 0.00 0.04 0.00 -2.93 0.00 0.00 61.98 59.19 1udm s VAL 34 Cb 0.02 -0.97 -0.04 0.00 -1.53 0.00 0.00 36.38 33.86 1udm s VAL 34 CO -0.03 0.00 -0.00 0.42 -3.33 0.00 0.00 175.10 172.16 1udm s THR 35 N 0.78 4.03 -0.34 5.04 -4.23 -0.70 0.11 115.64 120.32 1udm s THR 35 Ca -0.03 -0.95 0.01 0.00 -1.18 0.00 0.00 61.69 59.54 1udm s THR 35 Cb -0.05 -2.91 0.11 0.00 1.34 0.00 0.00 72.50 70.99 1udm s THR 35 CO -0.06 0.15 0.11 -0.36 -0.54 0.00 0.00 174.62 173.92 1udm s PHE 36 N -1.29 2.47 0.46 3.99 0.40 0.82 0.10 117.98 124.93 1udm s PHE 36 Ca 0.25 -2.30 0.08 0.00 -0.60 0.00 0.00 56.93 54.37 1udm s PHE 36 Cb -0.12 -2.18 0.03 0.00 0.51 0.00 0.00 43.02 41.26 1udm s PHE 36 CO 0.17 -0.88 0.62 -0.98 0.70 0.00 0.00 175.22 174.86 1udm s ARG 37 N 1.14 2.70 0.11 0.44 1.70 -0.36 -2.66 118.95 122.03 1udm s ARG 37 Ca 0.11 -1.33 -0.10 0.00 -0.47 0.00 0.00 55.73 53.95 1udm s ARG 37 Cb -0.19 -2.73 -0.06 0.00 -0.57 0.00 0.00 34.95 31.40 1udm s ARG 37 CO -0.15 -0.41 0.44 0.71 -1.08 0.00 0.00 175.30 174.80 1udm s TYR 38 N -2.43 3.57 -0.04 5.89 2.02 -1.26 0.02 117.35 125.11 1udm s TYR 38 Ca 0.57 0.83 0.04 0.00 -0.37 0.00 0.00 57.07 58.14 1udm s TYR 38 Cb -0.09 -2.20 0.06 0.00 -0.40 0.00 0.00 41.96 39.33 1udm s TYR 38 CO 0.34 0.47 1.03 -3.47 -1.57 0.00 0.00 175.55 172.36 1udm n ASP 39 N 0.73 2.09 0.00 2.29 -0.08 -0.96 -4.90 116.55 115.72 1udm n ASP 39 Ca -0.06 -2.21 0.00 0.00 -1.51 0.00 0.00 54.79 51.01 1udm n ASP 39 Cb 0.52 -0.09 0.00 0.00 2.34 0.00 0.00 41.12 43.89 1udm n ASP 39 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 1udm n GLY 40 N -0.66 0.30 2.24 0.27 0.00 -1.26 -4.86 105.19 101.23 1udm n GLY 40 Ca 0.03 -0.44 -0.11 0.00 0.00 0.00 0.00 46.02 45.50 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 -3.46 4.61 0.00 -1.26 -4.99 120.51 115.16 1udm n ALA 41 Ca 0.00 0.12 -0.01 0.00 0.00 0.00 0.00 53.44 53.55 1udm n ALA 41 Cb 0.00 -1.34 -0.04 0.00 0.00 0.00 0.00 19.45 18.07 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 -2.48 -0.91 0.12 0.00 2.01 -1.26 -2.09 115.64 111.03 1udm s THR 42 Ca 0.00 0.02 -0.31 0.00 0.31 0.00 0.00 61.69 61.71 1udm s THR 42 Cb 0.00 -0.93 -0.09 0.00 0.01 0.00 0.00 72.50 71.48 1udm s THR 42 CO 0.00 -0.00 1.60 -0.63 -0.69 0.00 0.00 174.62 174.90 1udm s ILE 43 N 2.81 2.83 0.01 1.82 1.01 0.05 -2.27 121.20 127.46 1udm s ILE 43 Ca 0.05 0.48 -0.00 0.00 0.00 0.00 0.00 60.65 61.18 1udm s ILE 43 Cb -0.13 -3.31 -0.01 0.00 0.01 0.00 0.00 42.46 39.02 1udm s ILE 43 CO -0.18 0.02 -0.00 0.68 0.00 0.00 0.00 174.94 175.45 1udm s VAL 44 N 1.82 0.05 -0.31 2.92 -7.23 0.10 -0.64 120.40 117.12 1udm s VAL 44 Ca 0.72 -0.43 -0.35 0.00 -1.81 0.00 0.00 61.98 60.11 1udm s VAL 44 Cb -0.42 -0.14 -0.11 0.00 0.56 0.00 0.00 36.38 36.27 1udm s VAL 44 CO 0.32 -0.24 2.14 -2.65 -0.31 0.00 0.00 175.10 174.36 1udm n PRO 45 N 2.37 1.27 0.00 4.82 -0.02 -1.26 -1.22 135.00 140.95 1udm n PRO 45 Ca -0.18 0.37 0.00 0.00 -2.02 0.00 0.00 63.50 61.67 1udm n PRO 45 Cb 0.58 -2.54 0.00 0.00 -0.02 0.00 0.00 33.50 31.52 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 6.13 1.87 3.94 -1.23 0.00 0.28 -4.80 105.19 111.38 1udm n GLY 46 Ca 0.37 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 46.14 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 -1.02 4.84 -0.28 1.61 1.01 -1.24 -4.89 116.67 116.70 1udm s ASP 47 Ca 0.00 0.37 -0.24 0.00 0.71 0.00 0.00 52.55 53.39 1udm s ASP 47 Cb 0.00 -1.04 0.12 0.00 1.01 0.00 0.00 42.92 43.01 1udm s ASP 47 CO 0.00 -1.56 1.01 -1.58 0.21 0.00 0.00 175.17 173.25 1udm s GLN 48 N -5.19 0.51 0.00 8.23 0.74 -1.26 -1.72 119.66 120.97 1udm s GLN 48 Ca 0.60 0.62 0.00 0.00 0.05 0.00 0.00 55.36 56.64 1udm s GLN 48 Cb -0.10 0.24 0.00 0.00 1.10 0.00 0.00 33.01 34.24 1udm s GLN 48 CO 0.44 -0.06 0.00 0.41 -0.55 0.00 0.00 175.29 175.53 1udm n GLY 49 N 2.37 -0.15 0.05 2.59 0.00 -1.14 -5.01 105.19 103.89 1udm n GLY 49 Ca -0.13 -0.97 0.11 0.00 0.00 0.00 0.00 46.02 45.03 1udm n GLY 49 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1udm n ALA 50 N -0.21 2.87 -2.66 4.61 0.00 -1.26 -2.24 120.51 121.64 1udm n ALA 50 Ca 0.00 -0.42 -0.43 0.00 0.00 0.00 0.00 53.44 52.60 1udm n ALA 50 Cb 0.00 -0.89 -0.04 0.00 0.00 0.00 0.00 19.45 18.52 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 -4.65 6.33 0.55 0.00 2.15 -1.26 -4.58 116.67 115.22 1udm s ASP 51 Ca -0.03 -0.36 0.27 0.00 0.43 0.00 0.00 52.55 52.85 1udm s ASP 51 Cb 0.13 -2.45 1.46 0.00 -0.30 0.00 0.00 42.92 41.76 1udm s ASP 51 CO 0.86 -1.27 1.99 0.22 -0.17 0.00 0.00 175.17 176.80 1udm h TYR 52 N 9.36 0.00 0.00 -5.34 5.03 -2.00 0.38 116.97 124.40 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 0.00 178.16 179.68 1udm h GLN 53 N 0.00 0.00 0.00 1.82 1.08 -2.00 -2.25 115.11 113.76 1udm h GLN 53 Ca 0.22 0.00 -0.16 0.00 -1.45 0.00 0.00 58.65 57.26 1udm h GLN 53 Cb 0.96 0.00 -0.02 0.00 -0.05 0.00 0.00 27.48 28.37 1udm h GLN 53 CO -0.00 0.05 -0.78 0.45 -0.95 0.00 0.00 178.83 177.60 1udm h HIS 54 N 0.00 0.00 -0.01 2.96 3.86 -0.65 -3.16 115.15 118.15 1udm h HIS 54 Ca -0.00 0.00 -0.08 0.00 -1.16 0.00 0.00 60.37 59.13 1udm h HIS 54 Cb 0.41 0.00 0.01 0.00 1.06 0.00 0.00 27.41 28.89 1udm h HIS 54 CO 0.00 0.74 -0.31 0.35 0.86 0.00 0.00 177.93 179.57 1udm h PHE 55 N 0.00 0.34 0.00 2.45 3.57 -1.39 -3.20 116.94 118.71 1udm h PHE 55 Ca -0.02 -0.18 -0.01 0.00 3.53 0.00 0.00 57.97 61.30 1udm h PHE 55 Cb 1.58 -0.04 -0.00 0.00 2.79 0.00 0.00 35.95 40.28 1udm h PHE 55 CO 0.00 0.96 -0.04 0.82 -2.23 0.00 0.00 178.31 177.82 1udm h ILE 56 N -0.37 0.35 0.00 1.41 2.04 -1.61 -0.31 117.51 119.02 1udm h ILE 56 Ca -0.04 -0.24 0.00 0.00 1.00 0.00 0.00 64.86 65.59 1udm h ILE 56 Cb 1.04 1.17 0.00 0.00 -0.74 0.00 0.00 36.82 38.29 1udm h ILE 56 CO 0.06 0.04 0.00 0.00 0.00 0.00 0.00 178.15 178.25 1udm n GLN 57 N -3.50 0.92 -0.06 2.37 1.13 -1.19 -3.17 117.38 113.88 1udm n GLN 57 Ca -0.02 0.00 -0.06 0.00 -1.94 0.00 0.00 57.00 54.98 1udm n GLN 57 Cb 0.16 -1.41 -0.08 0.00 0.11 0.00 0.00 30.24 29.02 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 -0.91 1.87 -2.69 -1.09 1.13 -0.14 -4.94 117.38 110.62 1udm n GLN 58 Ca 0.18 0.01 -0.43 0.00 -1.94 0.00 0.00 57.00 54.82 1udm n GLN 58 Cb 0.08 -1.28 -0.02 0.00 0.11 0.00 0.00 30.24 29.13 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 3.45 0.12 -2.00 0.00 -4.23 -1.26 -4.95 115.64 106.77 1udm s THR 60 Ca 0.43 -2.00 0.13 0.00 -1.18 0.00 0.00 61.69 59.07 1udm s THR 60 Cb -0.13 -2.49 0.37 0.00 1.34 0.00 0.00 72.50 71.58 1udm s THR 60 CO 0.13 0.00 1.32 0.47 -0.54 0.00 0.00 174.62 175.99 1udm n ASP 61 N -1.13 0.00 -0.09 3.99 8.00 -1.26 -2.45 116.55 123.62 1udm n ASP 61 Ca 0.04 -1.12 0.10 0.00 0.71 0.00 0.00 54.79 54.52 1udm n ASP 61 Cb 0.64 0.00 0.14 0.00 -0.02 0.00 0.00 41.12 41.88 1udm n ASP 61 CO 0.00 0.00 0.00 0.47 -0.39 0.00 0.00 177.20 177.28 1udm n ASP 62 N -0.76 2.29 -3.46 -2.24 8.00 -1.26 -2.90 116.55 116.21 1udm n ASP 62 Ca 0.10 -3.07 -0.14 0.00 0.71 0.00 0.00 54.79 52.38 1udm n ASP 62 Cb 0.04 -0.43 -0.03 0.00 -0.02 0.00 0.00 41.12 40.68 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 -2.81 0.00 -0.11 2.53 0.11 -1.02 -5.02 120.40 114.07 1udm s VAL 63 Ca 0.31 0.00 -0.08 0.00 -2.93 0.00 0.00 61.98 59.28 1udm s VAL 63 Cb 0.27 -1.00 0.04 0.00 -1.53 0.00 0.00 36.38 34.16 1udm s VAL 63 CO 0.03 0.00 0.29 0.00 -3.33 0.00 0.00 175.10 172.09 1udm s ARG 64 N -2.87 0.30 -0.01 1.54 3.03 -1.26 -0.41 118.95 119.28 1udm s ARG 64 Ca -0.03 0.50 -0.30 0.00 2.03 0.00 0.00 55.73 57.93 1udm s ARG 64 Cb -0.01 0.04 0.12 0.00 -1.03 0.00 0.00 34.95 34.07 1udm s ARG 64 CO -0.05 -0.10 1.25 -0.48 -1.13 0.00 0.00 175.30 174.79 1udm s LEU 65 N 0.71 -0.08 0.42 -1.89 -0.00 0.34 -4.69 118.68 113.50 1udm s LEU 65 Ca -0.05 -0.16 -0.09 0.00 -0.00 0.00 0.00 54.13 53.84 1udm s LEU 65 Cb -0.06 1.47 -0.05 0.00 -0.00 0.00 0.00 46.19 47.55 1udm s LEU 65 CO -0.04 -0.37 0.76 -0.36 -0.00 0.00 0.00 176.35 176.34 1udm s PHE 66 N -2.52 3.50 -0.25 3.48 0.40 -1.09 0.69 117.98 122.19 1udm s PHE 66 Ca 0.14 0.96 -0.04 0.00 -0.60 0.00 0.00 56.93 57.38 1udm s PHE 66 Cb 0.04 -2.39 0.09 0.00 0.51 0.00 0.00 43.02 41.27 1udm s PHE 66 CO -0.03 -0.15 0.13 0.00 0.70 0.00 0.00 175.22 175.87 1udm s ALA 67 N -2.47 0.49 -0.47 5.36 0.00 0.42 -0.13 121.76 124.96 1udm s ALA 67 Ca 0.50 -0.80 -0.24 0.00 0.00 0.00 0.00 51.96 51.41 1udm s ALA 67 Cb -0.10 -1.31 0.03 0.00 0.00 0.00 0.00 23.12 21.74 1udm s ALA 67 CO 0.35 -1.51 0.88 0.12 0.00 0.00 0.00 175.76 175.61 1udm s PHE 68 N 2.13 2.92 0.01 0.00 2.19 0.31 0.37 117.98 125.92 1udm s PHE 68 Ca 0.07 0.24 0.07 0.00 0.33 0.00 0.00 56.93 57.64 1udm s PHE 68 Cb -0.16 -3.89 -0.03 0.00 -1.31 0.00 0.00 43.02 37.63 1udm s PHE 68 CO -0.28 -1.11 -0.21 0.08 1.83 0.00 0.00 175.22 175.53 1udm s VAL 69 N 3.64 2.56 -0.03 3.12 1.01 -1.12 -0.80 120.40 128.78 1udm s VAL 69 Ca 0.33 -1.13 -0.16 0.00 0.00 0.00 0.00 61.98 61.02 1udm s VAL 69 Cb -0.11 -2.02 -0.05 0.00 0.00 0.00 0.00 36.38 34.20 1udm s VAL 69 CO 0.24 0.43 0.43 -0.60 0.00 0.00 0.00 175.10 175.60 1udm s ARG 70 N -1.12 4.06 -0.16 2.72 3.52 0.38 -2.15 118.95 126.21 1udm s ARG 70 Ca 0.13 0.42 -0.02 0.00 -0.13 0.00 0.00 55.73 56.13 1udm s ARG 70 Cb -0.10 -3.29 0.05 0.00 -1.56 0.00 0.00 34.95 30.05 1udm s ARG 70 CO 0.03 0.53 0.02 -0.06 -0.81 0.00 0.00 175.30 175.00 1udm s PHE 71 N -0.56 0.99 -0.55 5.12 0.40 -1.26 -4.91 117.98 117.21 1udm s PHE 71 Ca 0.24 -0.69 -0.27 0.00 -0.60 0.00 0.00 56.93 55.61 1udm s PHE 71 Cb -0.16 -0.99 -0.02 0.00 0.51 0.00 0.00 43.02 42.35 1udm s PHE 71 CO 0.12 -0.54 1.90 0.95 0.70 0.00 0.00 175.22 178.35 1udm s THR 72 N 1.87 3.35 -0.14 0.64 -4.23 -1.26 -3.52 115.64 112.35 1udm s THR 72 Ca 0.01 0.24 0.18 0.00 -1.18 0.00 0.00 61.69 60.95 1udm s THR 72 Cb -0.16 -3.80 0.34 0.00 1.34 0.00 0.00 72.50 70.22 1udm s THR 72 CO -0.07 -0.73 1.21 0.35 -0.54 0.00 0.00 174.62 174.83 1udm n THR 73 N 7.32 1.97 -3.50 3.99 -2.24 -1.25 -4.90 114.28 115.67 1udm n THR 73 Ca 0.22 -2.20 -0.41 0.00 -2.27 0.00 0.00 64.05 59.39 1udm n THR 73 Cb 0.51 -0.24 -0.04 0.00 -2.10 0.00 0.00 70.33 68.46 1udm n THR 73 CO 0.00 0.00 0.00 -0.83 -0.57 0.00 0.00 175.07 173.67 1udm s GLY 74 N -2.69 2.92 0.00 3.38 0.00 -1.18 -4.71 107.32 105.04 1udm s GLY 74 Ca 0.34 -3.62 0.01 0.00 0.00 0.00 0.00 44.72 41.45 1udm s GLY 74 CO 0.04 1.23 0.07 1.22 0.00 0.00 0.00 173.10 175.65 1udm n ASP 75 N 3.01 0.10 0.00 1.64 9.92 -1.23 -3.80 116.55 126.20 1udm n ASP 75 Ca 0.18 -0.55 0.00 0.00 -0.53 0.00 0.00 54.79 53.89 1udm n ASP 75 Cb 0.40 0.94 0.00 0.00 -0.64 0.00 0.00 41.12 41.82 1udm n ASP 75 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 1udm n ALA 76 N -0.96 0.00 -0.47 2.24 0.00 -1.26 -4.95 120.51 115.11 1udm n ALA 76 Ca 0.00 -0.03 0.00 0.00 0.00 0.00 0.00 53.44 53.42 1udm n ALA 76 Cb 0.01 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.46 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 -1.35 0.00 -2.71 0.00 2.81 -1.26 -5.06 117.12 109.56 1udm n MET 77 Ca 0.00 0.00 -0.21 0.00 -1.81 0.00 0.00 57.70 55.68 1udm n MET 77 Cb 0.00 -0.25 0.04 0.00 -0.71 0.00 0.00 33.22 32.30 1udm n MET 77 CO 0.00 0.00 0.00 -1.12 1.51 0.00 0.00 175.97 176.36 1udm s SER 78 N -2.57 5.20 -0.18 7.83 0.01 -1.26 -5.02 113.70 117.71 1udm s SER 78 Ca 0.00 -0.16 0.17 0.00 1.31 0.00 0.00 55.95 57.26 1udm s SER 78 Cb 0.00 -0.66 0.55 0.00 0.21 0.00 0.00 66.02 66.11 1udm s SER 78 CO 0.00 -1.19 1.44 0.29 0.41 0.00 0.00 173.24 174.19 1udm n LYS 79 N -2.33 3.05 -1.00 12.44 5.02 -1.25 -3.48 118.16 130.61 1udm n LYS 79 Ca 0.09 -2.86 -0.29 0.00 -2.02 0.00 0.00 58.31 53.23 1udm n LYS 79 Cb 0.60 -1.87 0.18 0.00 -0.02 0.00 0.00 35.03 33.92 1udm n LYS 79 CO 0.00 0.00 0.00 0.50 -0.52 0.00 0.00 177.40 177.38 1udm s ARG 80 N -2.81 0.33 0.34 1.97 3.52 -1.26 -4.59 118.95 116.45 1udm s ARG 80 Ca 0.43 0.72 0.08 0.00 -0.13 0.00 0.00 55.73 56.84 1udm s ARG 80 Cb 0.34 -1.71 -0.04 0.00 -1.56 0.00 0.00 34.95 31.98 1udm s ARG 80 CO 0.09 -2.85 0.12 0.45 -0.81 0.00 0.00 175.30 172.30 1udm s SER 81 N -3.18 4.62 -0.02 -2.12 0.15 -1.26 -3.08 113.70 108.81 1udm s SER 81 Ca 0.66 -0.79 0.03 0.00 0.70 0.00 0.00 55.95 56.54 1udm s SER 81 Cb -0.20 -0.71 -0.04 0.00 -1.71 0.00 0.00 66.02 63.35 1udm s SER 81 CO 0.59 -0.28 0.04 0.29 1.20 0.00 0.00 173.24 175.09 1udm n LYS 82 N -1.11 1.59 -0.10 5.44 5.02 -1.23 -4.95 118.16 122.81 1udm n LYS 82 Ca -0.03 -0.02 0.01 0.00 -2.02 0.00 0.00 58.31 56.25 1udm n LYS 82 Cb 0.61 -1.08 -0.00 0.00 -0.02 0.00 0.00 35.03 34.54 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 -1.83 -1.83 -3.58 2.13 3.01 -1.26 0.21 117.46 114.31 1udm n PHE 83 Ca -0.02 0.13 0.02 0.00 1.01 0.00 0.00 57.45 58.58 1udm n PHE 83 Cb 0.31 -0.06 -0.06 0.00 -0.01 0.00 0.00 39.48 39.66 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 -1.69 -2.71 -0.94 4.37 0.00 -0.91 -3.19 121.76 116.69 1udm s ALA 84 Ca 0.00 1.99 -0.24 0.00 0.00 0.00 0.00 51.96 53.70 1udm s ALA 84 Cb 0.00 -2.00 0.05 0.00 0.00 0.00 0.00 23.12 21.17 1udm s ALA 84 CO 0.00 -0.43 1.39 -1.17 0.00 0.00 0.00 175.76 175.55 1udm s LEU 85 N 1.26 3.43 -0.68 0.00 2.96 -0.26 -2.81 118.68 122.58 1udm s LEU 85 Ca -0.07 -1.17 -0.27 0.00 -0.22 0.00 0.00 54.13 52.41 1udm s LEU 85 Cb -0.02 -2.56 0.01 0.00 0.50 0.00 0.00 46.19 44.11 1udm s LEU 85 CO -0.12 -1.60 1.56 -0.63 -1.32 0.00 0.00 176.35 174.24 1udm s ILE 86 N 5.16 3.55 -0.66 6.68 1.01 0.16 0.12 121.20 137.21 1udm s ILE 86 Ca 0.42 0.31 -0.25 0.00 0.00 0.00 0.00 60.65 61.14 1udm s ILE 86 Cb -0.02 -4.45 0.05 0.00 0.01 0.00 0.00 42.46 38.04 1udm s ILE 86 CO -0.03 -1.40 1.09 -0.89 0.00 0.00 0.00 174.94 173.71 1udm s THR 87 N 7.34 4.09 0.15 2.92 2.01 0.35 0.16 115.64 132.65 1udm s THR 87 Ca 0.50 0.13 -0.18 0.00 0.31 0.00 0.00 61.69 62.45 1udm s THR 87 Cb -0.10 -4.75 -0.07 0.00 0.01 0.00 0.00 72.50 67.59 1udm s THR 87 CO 0.18 -1.53 0.63 0.86 -0.69 0.00 0.00 174.62 174.06 1udm s TRP 88 N 4.72 3.71 -0.29 4.92 -0.11 0.22 -0.75 118.94 131.35 1udm s TRP 88 Ca 0.30 1.28 0.01 0.00 1.22 0.00 0.00 56.10 58.90 1udm s TRP 88 Cb -0.12 -2.52 0.15 0.00 -1.50 0.00 0.00 33.47 29.48 1udm s TRP 88 CO 0.15 0.46 0.34 0.42 -4.62 0.00 0.00 176.95 173.70 1udm s ILE 89 N -1.35 -0.49 0.06 5.86 1.01 -0.89 -0.50 121.20 124.89 1udm s ILE 89 Ca 0.36 -0.41 -0.25 0.00 0.00 0.00 0.00 60.65 60.36 1udm s ILE 89 Cb -0.18 -0.99 -0.13 0.00 0.01 0.00 0.00 42.46 41.17 1udm s ILE 89 CO 0.20 -0.40 0.59 0.61 0.00 0.00 0.00 174.94 175.95 1udm n GLY 90 N 5.33 -0.61 0.00 6.18 0.00 0.46 -4.54 105.19 112.00 1udm n GLY 90 Ca -0.01 0.41 0.02 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 0.91 0.87 -0.01 1.61 2.13 -1.25 -2.85 120.64 122.05 1udm n GLU 91 Ca 0.13 0.00 -0.00 0.00 0.66 0.00 0.00 57.16 57.95 1udm n GLU 91 Cb 0.10 -1.08 -0.03 0.00 0.27 0.00 0.00 31.44 30.71 1udm n GLU 91 CO 0.00 0.00 0.00 -3.47 -0.41 0.00 0.00 177.13 173.25 1udm n ASP 92 N -0.58 4.17 -4.37 4.31 2.03 -1.14 -5.05 116.55 115.91 1udm n ASP 92 Ca 0.03 0.00 -0.34 0.00 0.52 0.00 0.00 54.79 55.00 1udm n ASP 92 Cb 0.02 0.83 0.09 0.00 -0.72 0.00 0.00 41.12 41.33 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 -1.92 0.51 -2.12 5.18 0.24 -1.13 -4.89 118.33 114.20 1udm n VAL 93 Ca -0.03 -0.30 -0.40 0.00 -2.04 0.00 0.00 64.34 61.56 1udm n VAL 93 Cb 0.39 -0.55 -0.02 0.00 -1.47 0.00 0.00 33.84 32.20 1udm n VAL 93 CO 0.00 0.00 0.00 -0.55 -2.14 0.00 0.00 176.83 174.14 1udm s SER 94 N -1.69 6.66 0.23 -1.34 0.15 -1.26 -4.89 113.70 111.57 1udm s SER 94 Ca 0.57 2.65 -0.07 0.00 0.70 0.00 0.00 55.95 59.79 1udm s SER 94 Cb -0.25 -2.64 0.37 0.00 -1.71 0.00 0.00 66.02 61.78 1udm s SER 94 CO 0.67 -0.60 1.31 0.61 1.20 0.00 0.00 173.24 176.42 1udm n GLY 95 N 0.77 -1.43 0.14 9.45 0.00 -1.26 -1.04 105.19 111.82 1udm n GLY 95 Ca 0.01 0.90 -0.04 0.00 0.00 0.00 0.00 46.02 46.89 1udm n GLY 95 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 1udm h LEU 96 N 0.00 -0.62 -0.90 0.99 5.85 -1.97 0.25 115.31 118.92 1udm h LEU 96 Ca 0.39 0.08 0.35 0.00 0.84 0.00 0.00 57.88 59.55 1udm h LEU 96 Cb 0.60 0.26 -0.16 0.00 0.37 0.00 0.00 40.66 41.73 1udm h LEU 96 CO -0.86 -0.12 0.40 0.00 -0.34 0.00 0.00 178.44 177.53 1udm n GLN 97 N -3.59 -0.06 0.02 1.25 6.02 -0.21 0.24 117.38 121.06 1udm n GLN 97 Ca -0.01 1.26 -0.13 0.00 -0.01 0.00 0.00 57.00 58.11 1udm n GLN 97 Cb 0.10 -2.21 -0.02 0.00 1.02 0.00 0.00 30.24 29.14 1udm n GLN 97 CO 0.00 0.00 0.00 -0.09 -1.01 0.00 0.00 177.06 175.96 1udm h ARG 98 N 0.00 0.56 0.00 -1.09 2.43 -0.67 0.38 114.38 116.00 1udm h ARG 98 Ca 0.72 -0.47 -0.02 0.00 -0.81 0.00 0.00 59.98 59.41 1udm h ARG 98 Cb 1.86 0.10 -0.00 0.00 -0.42 0.00 0.00 29.97 31.51 1udm h ARG 98 CO -0.72 1.09 -0.10 0.00 -1.51 0.00 0.00 179.97 178.74 1udm h ALA 99 N 0.77 0.96 0.00 2.80 0.00 0.63 -3.27 119.26 121.15 1udm h ALA 99 Ca -0.04 -0.09 -0.03 0.00 0.00 0.00 0.00 54.91 54.74 1udm h ALA 99 Cb 1.37 -0.02 -0.01 0.00 0.00 0.00 0.00 17.79 19.14 1udm h ALA 99 CO 0.14 0.12 -0.89 1.63 0.00 0.00 0.00 179.25 180.25 1udm n LYS 100 N -3.15 0.50 -0.35 0.00 4.76 0.27 -4.06 118.16 116.14 1udm n LYS 100 Ca 0.02 0.36 0.31 0.00 -2.87 0.00 0.00 58.31 56.13 1udm n LYS 100 Cb 0.49 -1.55 0.54 0.00 -1.84 0.00 0.00 35.03 32.67 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 -4.51 -0.27 -0.06 -0.18 -1.04 0.13 0.24 114.28 108.59 1udm n THR 101 Ca -0.14 1.60 -0.12 0.00 -2.04 0.00 0.00 64.05 63.35 1udm n THR 101 Cb 0.44 -2.62 0.00 0.00 -1.82 0.00 0.00 70.33 66.34 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 0.84 1.06 3.41 0.00 -1.76 -3.21 103.07 103.41 1udm h GLY 102 Ca 0.73 -0.95 -0.13 0.00 0.00 0.00 0.00 47.33 46.99 1udm h GLY 102 CO -0.50 0.85 -0.25 -0.84 0.00 0.00 0.00 176.54 175.80 1udm h THR 103 N 0.60 1.28 0.00 4.70 2.02 0.29 -2.52 112.91 119.28 1udm h THR 103 Ca 0.02 -1.40 0.00 0.00 0.77 0.00 0.00 66.41 65.80 1udm h THR 103 Cb 1.08 1.30 0.00 0.00 -1.74 0.00 0.00 68.15 68.79 1udm h THR 103 CO 0.11 0.47 0.00 0.47 0.37 0.00 0.00 175.52 176.94 1udm n ASP 104 N -4.18 0.00 -0.10 4.18 8.00 -0.41 -2.50 116.55 121.55 1udm n ASP 104 Ca -0.02 0.15 0.04 0.00 0.71 0.00 0.00 54.79 55.68 1udm n ASP 104 Cb 0.46 -0.24 0.37 0.00 -0.02 0.00 0.00 41.12 41.70 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 -0.19 -1.24 3.64 -1.46 -0.93 116.57 117.07 1udm h LYS 105 Ca 0.00 -0.04 0.05 0.00 -1.27 0.00 0.00 60.65 59.39 1udm h LYS 105 Cb 0.04 -0.15 -0.01 0.00 -0.41 0.00 0.00 32.23 31.70 1udm h LYS 105 CO 0.00 0.45 0.23 1.15 -2.27 0.00 0.00 179.45 179.00 1udm h THR 106 N 0.69 0.40 0.01 1.00 2.02 -1.71 0.01 112.91 115.34 1udm h THR 106 Ca 0.22 0.00 -0.00 0.00 0.77 0.00 0.00 66.41 67.40 1udm h THR 106 Cb 0.04 0.81 0.00 0.00 -1.74 0.00 0.00 68.15 67.27 1udm h THR 106 CO -0.06 0.00 -0.01 -0.07 0.37 0.00 0.00 175.52 175.76 1udm h LEU 107 N 0.00 -0.01 -1.60 2.58 3.38 -1.41 -3.16 115.31 115.08 1udm h LEU 107 Ca 0.09 -0.79 -0.02 0.00 0.09 0.00 0.00 57.88 57.25 1udm h LEU 107 Cb 0.54 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.29 1udm h LEU 107 CO -0.00 0.85 -0.00 0.58 0.09 0.00 0.00 178.44 179.95 1udm h VAL 108 N -0.94 1.11 -0.29 1.22 2.07 -1.36 -2.00 116.25 116.05 1udm h VAL 108 Ca -0.00 -0.44 -0.07 0.00 0.82 0.00 0.00 66.70 67.01 1udm h VAL 108 Cb 0.80 0.99 -0.02 0.00 -1.52 0.00 0.00 31.29 31.54 1udm h VAL 108 CO 0.00 0.15 -0.12 0.50 0.02 0.00 0.00 177.57 178.12 1udm h LYS 109 N 0.24 0.49 -1.10 1.57 3.64 -1.11 -2.47 116.57 117.83 1udm h LYS 109 Ca 0.06 -0.14 0.34 0.00 -1.27 0.00 0.00 60.65 59.64 1udm h LYS 109 Cb 0.17 -0.05 -0.13 0.00 -0.41 0.00 0.00 32.23 31.81 1udm h LYS 109 CO 0.00 0.61 0.68 0.93 -2.27 0.00 0.00 179.45 179.40 1udm h GLU 110 N 0.46 0.28 0.11 1.90 4.39 -1.32 -0.39 114.58 120.01 1udm h GLU 110 Ca 0.09 -0.02 -0.36 0.00 0.34 0.00 0.00 59.36 59.40 1udm h GLU 110 Cb 0.48 -0.06 -0.02 0.00 -0.10 0.00 0.00 28.75 29.04 1udm h GLU 110 CO 0.03 0.18 -2.02 0.28 -1.16 0.00 0.00 179.01 176.32 1udm n VAL 111 N -4.83 1.76 -3.13 3.13 0.31 -1.07 -4.74 118.33 109.77 1udm n VAL 111 Ca 0.31 -0.66 -0.45 0.00 -0.01 0.00 0.00 64.34 63.54 1udm n VAL 111 Cb 1.07 -1.69 -0.04 0.00 -0.91 0.00 0.00 33.84 32.26 1udm n VAL 111 CO 0.00 0.00 0.00 -0.69 -1.32 0.00 0.00 176.83 174.82 1udm s VAL 112 N -2.56 4.87 0.00 2.52 1.01 -0.16 -4.75 120.40 121.33 1udm s VAL 112 Ca -0.23 -1.07 0.00 0.00 0.00 0.00 0.00 61.98 60.68 1udm s VAL 112 Cb 0.07 -4.48 0.00 0.00 0.00 0.00 0.00 36.38 31.97 1udm s VAL 112 CO 0.76 -1.11 0.00 0.00 0.00 0.00 0.00 175.10 174.75 1udm n GLN 113 N 6.20 2.52 0.21 2.72 10.64 -1.24 -4.54 117.38 133.89 1udm n GLN 113 Ca -0.09 0.00 0.07 0.00 -1.83 0.00 0.00 57.00 55.14 1udm n GLN 113 Cb 0.42 -0.90 0.46 0.00 -0.86 0.00 0.00 30.24 29.37 1udm n GLN 113 CO 0.00 0.00 0.00 -0.97 -1.83 0.00 0.00 177.06 174.26 1udm h ASN 114 N 0.00 0.00 -0.74 2.61 -1.24 -1.93 -3.44 115.58 110.84 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 0.79 0.00 0.01 0.00 0.73 0.00 0.00 38.32 39.85 1udm h ASN 114 CO 0.00 0.29 -0.01 2.22 -1.29 0.00 0.00 177.43 178.64 1udm n PHE 115 N -3.78 -1.36 -0.03 0.67 -1.74 -1.26 -4.86 117.46 105.10 1udm n PHE 115 Ca -0.01 -0.02 -0.03 0.00 -0.56 0.00 0.00 57.45 56.83 1udm n PHE 115 Cb 0.39 -0.10 -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 -2.08 0.25 -3.62 1.98 0.00 0.56 -4.89 120.51 112.71 1udm n ALA 116 Ca -0.01 -0.38 -0.09 0.00 0.00 0.00 0.00 53.44 52.96 1udm n ALA 116 Cb 0.03 0.01 -0.02 0.00 0.00 0.00 0.00 19.45 19.47 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 -1.56 1.44 -0.17 0.00 2.20 -1.26 -5.04 119.74 115.34 1udm s LYS 117 Ca -0.08 -0.67 -0.19 0.00 -0.36 0.00 0.00 55.97 54.66 1udm s LYS 117 Cb 0.01 0.57 -0.03 0.00 -1.51 0.00 0.00 37.83 36.87 1udm s LYS 117 CO 0.12 -0.64 0.55 -1.83 -0.36 0.00 0.00 175.35 173.19 1udm s GLU 118 N -3.73 4.24 -0.47 4.03 1.03 -1.26 -1.11 118.70 121.44 1udm s GLU 118 Ca 0.06 0.51 -0.15 0.00 0.03 0.00 0.00 54.97 55.41 1udm s GLU 118 Cb -0.03 -3.53 0.08 0.00 -0.80 0.00 0.00 34.13 29.84 1udm s GLU 118 CO -0.04 -0.09 0.39 -0.06 -1.33 0.00 0.00 175.26 174.13 1udm s PHE 119 N 1.44 3.25 -0.69 4.83 0.40 0.32 -4.88 117.98 122.65 1udm s PHE 119 Ca 0.27 -0.98 -0.25 0.00 -0.60 0.00 0.00 56.93 55.37 1udm s PHE 119 Cb -0.16 -3.19 0.05 0.00 0.51 0.00 0.00 43.02 40.23 1udm s PHE 119 CO 0.11 -0.81 1.12 0.08 0.70 0.00 0.00 175.22 176.41 1udm s VAL 120 N 1.63 4.04 0.02 -0.44 1.01 -1.26 0.13 120.40 125.53 1udm s VAL 120 Ca 0.04 0.09 0.04 0.00 0.00 0.00 0.00 61.98 62.15 1udm s VAL 120 Cb -0.25 -4.79 -0.04 0.00 0.00 0.00 0.00 36.38 31.31 1udm s VAL 120 CO 0.06 -1.62 -0.06 -0.63 0.00 0.00 0.00 175.10 172.85 1udm s ILE 121 N 4.87 3.69 0.00 2.22 1.01 0.07 -4.95 121.20 128.10 1udm s ILE 121 Ca 0.29 -0.84 0.00 0.00 0.00 0.00 0.00 60.65 60.11 1udm s ILE 121 Cb -0.12 -2.63 0.00 0.00 0.01 0.00 0.00 42.46 39.72 1udm s ILE 121 CO 0.14 0.34 0.00 -1.20 0.00 0.00 0.00 174.94 174.21 1udm n SER 122 N 1.36 4.81 -4.28 3.58 7.64 -1.26 -2.10 113.62 123.36 1udm n SER 122 Ca -0.15 -0.01 -0.33 0.00 1.01 0.00 0.00 58.87 59.39 1udm n SER 122 Cb 0.52 0.99 -0.15 0.00 -1.01 0.00 0.00 64.21 64.56 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 -1.95 3.69 0.39 6.43 -1.08 -1.26 -3.81 116.67 119.08 1udm s ASP 123 Ca 0.00 -0.45 0.15 0.00 -0.52 0.00 0.00 52.55 51.74 1udm s ASP 123 Cb 0.00 -1.56 1.01 0.00 -1.46 0.00 0.00 42.92 40.91 1udm s ASP 123 CO 0.00 0.11 1.83 0.03 0.52 0.00 0.00 175.17 177.66 1udm h ARG 124 N 7.12 0.48 0.00 4.34 3.08 -1.94 0.30 114.38 127.75 1udm h ARG 124 Ca -0.30 -0.03 0.00 0.00 0.07 0.00 0.00 59.98 59.72 1udm h ARG 124 Cb 1.20 -0.11 0.00 0.00 0.08 0.00 0.00 29.97 31.14 1udm h ARG 124 CO 0.56 0.31 0.30 0.87 -1.07 0.00 0.00 179.97 180.94 1udm h LYS 125 N 0.49 0.00 0.00 0.04 1.79 -2.01 0.86 116.57 117.73 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 1.15 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.80 1udm h LYS 125 CO -0.23 0.00 -1.64 0.39 -1.08 0.00 0.00 179.45 176.89 1udm n GLU 126 N -2.18 0.67 0.11 3.15 1.02 0.10 -4.29 120.64 119.22 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 0.33 -1.41 0.45 0.00 -0.02 0.00 0.00 31.44 30.79 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 0.50 -4.47 -4.62 7.99 0.30 -4.53 117.00 110.17 1udm n LEU 127 Ca -0.02 0.64 -0.46 0.00 -0.01 0.00 0.00 56.01 56.16 1udm n LEU 127 Cb 0.43 -0.60 -0.08 0.00 -0.11 0.00 0.00 43.42 43.06 1udm n LEU 127 CO 0.37 -0.56 1.93 -0.62 -1.51 0.00 0.00 177.39 177.00 1udm n GLU 128 N -2.07 0.79 -0.64 3.23 1.02 -1.20 -4.73 120.64 117.04 1udm n GLU 128 Ca 0.02 0.15 0.49 0.00 -0.02 0.00 0.00 57.16 57.80 1udm n GLU 128 Cb 0.18 -2.42 0.75 0.00 -0.02 0.00 0.00 31.44 29.93 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 -0.01 -0.12 3.49 2.13 -1.26 0.16 120.64 133.42 1udm n GLU 129 Ca 0.46 1.04 -0.08 0.00 0.66 0.00 0.00 57.16 59.25 1udm n GLU 129 Cb 0.24 -2.35 0.00 0.00 0.27 0.00 0.00 31.44 29.61 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 0.43 -0.24 4.31 3.32 -1.93 -1.62 116.42 120.68 1udm h ASP 130 Ca 0.88 -0.01 -0.11 0.00 0.02 0.00 0.00 57.03 57.81 1udm h ASP 130 Cb 3.43 -0.10 -0.01 0.00 0.22 0.00 0.00 39.33 42.86 1udm h ASP 130 CO -0.07 0.31 -0.21 0.15 -1.72 0.00 0.00 179.24 177.69 1udm h PHE 131 N 0.52 0.79 0.07 4.55 3.57 0.12 -3.14 116.94 123.42 1udm h PHE 131 Ca 0.15 -0.17 -0.00 0.00 3.53 0.00 0.00 57.97 61.47 1udm h PHE 131 Cb -0.04 -0.19 0.00 0.00 2.79 0.00 0.00 35.95 38.51 1udm h PHE 131 CO -0.06 0.86 -0.04 0.82 -2.23 0.00 0.00 178.31 177.67 1udm h ILE 132 N 0.62 0.93 -0.20 1.41 1.08 -1.18 -3.08 117.51 117.09 1udm h ILE 132 Ca 0.09 0.00 0.05 0.00 -0.39 0.00 0.00 64.86 64.61 1udm h ILE 132 Cb 0.70 0.93 -0.07 0.00 -3.07 0.00 0.00 36.82 35.30 1udm h ILE 132 CO 0.05 0.00 -0.44 0.03 -0.69 0.00 0.00 178.15 177.10 1udm h ARG 133 N -0.10 -0.45 -0.98 2.37 -0.00 -1.27 -0.35 114.38 113.60 1udm h ARG 133 Ca -0.01 0.03 0.34 0.00 -0.50 0.00 0.00 59.98 59.84 1udm h ARG 133 Cb 0.08 0.10 -0.17 0.00 0.00 0.00 0.00 29.97 29.98 1udm h ARG 133 CO 0.01 -0.30 0.37 0.77 0.00 0.00 0.00 179.97 180.83 1udm h SER 134 N -0.46 0.10 -0.02 7.04 0.02 -1.50 0.56 113.55 119.28 1udm h SER 134 Ca 0.08 0.25 -0.00 0.00 -0.84 0.00 0.00 61.79 61.28 1udm h SER 134 Cb 0.62 0.30 -0.00 0.00 0.14 0.00 0.00 62.40 63.47 1udm h SER 134 CO -0.45 -0.33 0.01 -0.33 -1.14 0.00 0.00 176.83 174.60 1udm h GLU 135 N 0.08 0.03 -0.24 3.45 4.39 -1.00 -2.69 114.58 118.60 1udm h GLU 135 Ca 0.73 -0.00 -0.08 0.00 0.34 0.00 0.00 59.36 60.34 1udm h GLU 135 Cb 1.74 -0.01 -0.01 0.00 -0.10 0.00 0.00 28.75 30.37 1udm h GLU 135 CO -0.77 0.06 -0.21 -0.07 -1.16 0.00 0.00 179.01 176.86 1udm h LEU 136 N -0.00 0.42 -1.96 1.33 3.38 0.23 0.37 115.31 119.08 1udm h LEU 136 Ca 0.01 -0.13 0.23 0.00 0.09 0.00 0.00 57.88 58.08 1udm h LEU 136 Cb 0.03 -0.11 -0.03 0.00 0.09 0.00 0.00 40.66 40.63 1udm h LEU 136 CO -0.00 0.64 0.58 0.50 0.09 0.00 0.00 178.44 180.25 1udm h LYS 137 N 0.39 0.03 0.00 1.13 3.64 -0.11 -2.45 116.57 119.21 1udm h LYS 137 Ca 0.06 -0.00 -0.21 0.00 -1.27 0.00 0.00 60.65 59.23 1udm h LYS 137 Cb 0.59 -0.01 -0.04 0.00 -0.41 0.00 0.00 32.23 32.36 1udm h LYS 137 CO 0.04 0.02 -1.80 0.36 -2.27 0.00 0.00 179.45 175.80 1udm n LYS 138 N -4.31 1.65 -3.63 1.90 -0.00 -1.00 -4.99 118.16 107.77 1udm n LYS 138 Ca 0.16 0.02 -0.24 0.00 -0.00 0.00 0.00 58.31 58.25 1udm n LYS 138 Cb 0.85 -1.30 -0.06 0.00 -0.00 0.00 0.00 35.03 34.53 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 -2.56 -1.27 -2.66 0.58 0.00 0.13 -4.87 120.51 109.86 1udm n ALA 139 Ca -0.21 -0.21 -0.19 0.00 0.00 0.00 0.00 53.44 52.82 1udm n ALA 139 Cb 0.85 -1.07 -0.14 0.00 0.00 0.00 0.00 19.45 19.09 1udm n ALA 139 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.50 177.70 1udm s GLY 140 N -3.26 0.62 0.00 0.00 0.00 -1.26 -5.07 107.32 98.35 1udm s GLY 140 Ca 0.26 -0.62 0.00 0.00 0.00 0.00 0.00 44.72 44.36 1udm s GLY 140 CO 0.68 -0.57 0.00 0.61 0.00 0.00 0.00 173.10 173.82 1udm n GLY 141 N 2.37 0.97 3.22 0.20 0.00 -1.26 -5.12 105.19 105.58 1udm n GLY 141 Ca -0.16 -1.33 -0.15 0.00 0.00 0.00 0.00 46.02 44.38 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 -0.16 1.35 -0.03 4.61 0.00 -1.26 -5.09 121.76 121.19 1udm s ALA 142 Ca 0.00 -1.35 -0.09 0.00 0.00 0.00 0.00 51.96 50.53 1udm s ALA 142 Cb 0.00 0.01 -0.05 0.00 0.00 0.00 0.00 23.12 23.08 1udm s ALA 142 CO 0.00 -0.03 0.49 -0.91 0.00 0.00 0.00 175.76 175.31 1udm h ASN 143 N 3.21 -0.27 -2.15 0.00 4.21 -2.04 -3.45 115.58 115.08 1udm h ASN 143 Ca -0.38 0.01 -0.15 0.00 1.21 0.00 0.00 56.30 56.99 1udm h ASN 143 Cb 1.19 0.07 -0.05 0.00 -1.12 0.00 0.00 38.32 38.41 1udm h ASN 143 CO 0.57 0.02 -0.15 0.00 -1.29 0.00 0.00 177.43 176.57 1udm n TYR 144 N -3.99 -0.83 -4.18 1.19 0.18 -1.26 -4.89 117.16 103.39 1udm n TYR 144 Ca -0.04 0.00 -0.34 0.00 1.88 0.00 0.00 57.90 59.40 1udm n TYR 144 Cb 0.12 -1.94 -0.11 0.00 -0.38 0.00 0.00 39.34 37.03 1udm n TYR 144 CO 0.00 0.00 0.00 0.16 -2.08 0.00 0.00 176.86 174.94 1udm s ASP 145 N -1.72 5.23 0.14 9.48 1.47 -1.26 -5.08 116.67 124.94 1udm s ASP 145 Ca 0.00 -0.02 -0.25 0.00 1.18 0.00 0.00 52.55 53.46 1udm s ASP 145 Cb 0.00 -1.88 0.07 0.00 -0.34 0.00 0.00 42.92 40.77 1udm s ASP 145 CO 0.00 0.17 1.01 0.00 0.68 0.00 0.00 175.17 177.03 1udm s ALA 146 N 0.40 -1.70 -0.01 2.11 0.00 -1.26 -5.18 121.76 116.13 1udm s ALA 146 Ca -0.00 0.09 0.02 0.00 0.00 0.00 0.00 51.96 52.07 1udm s ALA 146 Cb -0.13 0.63 -0.01 0.00 0.00 0.00 0.00 23.12 23.62 1udm s ALA 146 CO 0.02 -1.05 -0.07 -0.65 0.00 0.00 0.00 175.76 174.00 1udm s GLN 147 N -2.97 0.60 -0.11 0.00 -0.21 -1.26 -5.02 119.66 110.68 1udm s GLN 147 Ca 0.14 -0.26 0.07 0.00 0.02 0.00 0.00 55.36 55.33 1udm s GLN 147 Cb -0.01 -0.58 0.40 0.00 1.00 0.00 0.00 33.01 33.82 1udm s GLN 147 CO 0.02 0.16 1.11 0.43 -2.12 0.00 0.00 175.29 174.89 1udm n SER 148 N 2.90 3.26 -0.94 5.90 7.64 -1.26 -5.35 113.62 125.77 1udm n SER 148 Ca -0.13 -2.44 0.12 0.00 1.01 0.00 0.00 58.87 57.43 1udm n SER 148 Cb 0.57 -0.58 0.10 0.00 -1.01 0.00 0.00 64.21 63.29 1udm n SER 148 CO 0.00 0.00 0.00 -0.62 -3.01 0.00 0.00 175.04 171.41