#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1udm h SER 2 N 0.00 -1.95 -0.93 1.61 4.64 -2.06 0.31 113.55 115.17 1udm h SER 2 Ca 0.00 0.29 0.30 0.00 -0.47 0.00 0.00 61.79 61.90 1udm h SER 2 Cb 0.00 0.84 -0.17 0.00 -0.31 0.00 0.00 62.40 62.76 1udm h SER 2 CO 0.00 -0.26 0.16 -1.84 -0.87 0.00 0.00 176.83 174.02 1udm n GLU 3 N -5.14 -0.07 0.00 4.77 0.28 -1.26 -4.76 120.64 114.47 1udm n GLU 3 Ca 0.00 1.36 0.00 0.00 -0.16 0.00 0.00 57.16 58.36 1udm n GLU 3 Cb 0.27 -2.24 0.00 0.00 1.43 0.00 0.00 31.44 30.89 1udm n GLU 3 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 177.13 177.38 1udm n GLY 4 N -1.40 2.89 3.67 -1.84 0.00 0.11 -4.86 105.19 103.75 1udm n GLY 4 Ca 0.26 0.12 -0.27 0.00 0.00 0.00 0.00 46.02 46.13 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 10.98 -1.21 -3.78 4.61 0.00 -1.26 -4.93 120.51 124.92 1udm n ALA 5 Ca 0.00 0.23 -0.03 0.00 0.00 0.00 0.00 53.44 53.64 1udm n ALA 5 Cb 0.00 -4.36 -0.01 0.00 0.00 0.00 0.00 19.45 15.09 1udm n ALA 5 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1udm s ALA 6 N -3.23 -1.62 0.13 0.00 0.00 -1.26 -5.13 121.76 110.65 1udm s ALA 6 Ca 0.57 0.01 -0.31 0.00 0.00 0.00 0.00 51.96 52.23 1udm s ALA 6 Cb -0.28 0.66 -0.10 0.00 0.00 0.00 0.00 23.12 23.40 1udm s ALA 6 CO 0.70 -1.05 1.78 -0.08 0.00 0.00 0.00 175.76 177.11 1udm s THR 7 N -3.04 2.53 -0.18 0.00 -1.32 -1.26 -4.99 115.64 107.39 1udm s THR 7 Ca 0.14 0.12 -0.12 0.00 -1.21 0.00 0.00 61.69 60.62 1udm s THR 7 Cb -0.02 -3.08 0.06 0.00 -1.51 0.00 0.00 72.50 67.95 1udm s THR 7 CO 0.03 0.00 0.45 -0.04 -2.21 0.00 0.00 174.62 172.85 1udm s MET 8 N 2.41 0.47 1.14 7.08 1.00 -1.26 -5.17 119.30 124.97 1udm s MET 8 Ca 0.79 0.77 -0.18 0.00 0.00 0.00 0.00 55.69 57.07 1udm s MET 8 Cb -0.46 0.09 0.26 0.00 0.00 0.00 0.00 34.83 34.72 1udm s MET 8 CO 0.35 -0.12 1.14 0.00 0.00 0.00 0.00 175.02 176.38 1udm s ALA 9 N 1.00 0.91 0.00 3.03 0.00 -1.26 -5.06 121.76 120.39 1udm s ALA 9 Ca -0.06 -0.91 0.04 0.00 0.00 0.00 0.00 51.96 51.02 1udm s ALA 9 Cb -0.06 -2.90 -0.03 0.00 0.00 0.00 0.00 23.12 20.13 1udm s ALA 9 CO -0.09 -3.30 -0.09 0.99 0.00 0.00 0.00 175.76 173.27 1udm s THR 10 N -3.14 3.46 0.46 0.00 2.01 -1.26 -4.99 115.64 112.18 1udm s THR 10 Ca 0.70 -0.82 0.05 0.00 0.31 0.00 0.00 61.69 61.94 1udm s THR 10 Cb -0.10 -2.48 -0.04 0.00 0.01 0.00 0.00 72.50 69.89 1udm s THR 10 CO 0.56 0.41 0.12 -0.54 -0.69 0.00 0.00 174.62 174.47 1udm s LYS 11 N -1.33 2.15 0.03 4.92 -0.14 -1.23 -5.02 119.74 119.12 1udm s LYS 11 Ca 0.16 -2.09 -0.00 0.00 -1.36 0.00 0.00 55.97 52.68 1udm s LYS 11 Cb -0.11 -1.79 -0.03 0.00 -1.68 0.00 0.00 37.83 34.23 1udm s LYS 11 CO 0.06 -0.23 -0.03 -1.50 -0.76 0.00 0.00 175.35 172.90 1udm s ILE 12 N -2.73 0.15 -0.34 2.17 2.07 -1.26 -0.17 121.20 121.09 1udm s ILE 12 Ca 0.29 -1.25 -0.03 0.00 -1.41 0.00 0.00 60.65 58.25 1udm s ILE 12 Cb 0.04 -0.75 0.11 0.00 0.13 0.00 0.00 42.46 41.99 1udm s ILE 12 CO 0.16 -0.69 2.46 -0.67 -1.91 0.00 0.00 174.94 174.29 1udm n ASP 13 N 1.02 6.35 -0.04 4.50 -0.08 0.17 -4.76 116.55 123.71 1udm n ASP 13 Ca -0.20 -3.06 0.01 0.00 -1.51 0.00 0.00 54.79 50.02 1udm n ASP 13 Cb 0.57 -1.16 0.02 0.00 2.34 0.00 0.00 41.12 42.89 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 0.76 -0.01 0.23 -0.67 5.02 -1.26 0.27 118.16 122.50 1udm n LYS 14 Ca 0.38 0.19 -0.16 0.00 -2.02 0.00 0.00 58.31 56.69 1udm n LYS 14 Cb 0.59 -0.28 -0.08 0.00 -0.02 0.00 0.00 35.03 35.23 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 -0.81 -0.33 1.97 4.11 -1.98 0.26 114.58 117.80 1udm h GLU 15 Ca 0.06 0.05 -0.12 0.00 0.07 0.00 0.00 59.36 59.42 1udm h GLU 15 Cb 0.10 0.18 -0.01 0.00 0.50 0.00 0.00 28.75 29.52 1udm h GLU 15 CO -0.12 -0.54 -0.30 0.00 0.07 0.00 0.00 179.01 178.12 1udm h ALA 16 N -0.50 0.85 0.86 1.06 0.00 0.33 -3.17 119.26 118.69 1udm h ALA 16 Ca -0.03 -0.40 -0.04 0.00 0.00 0.00 0.00 54.91 54.44 1udm h ALA 16 Cb 0.76 -0.13 0.01 0.00 0.00 0.00 0.00 17.79 18.42 1udm h ALA 16 CO -0.10 0.64 -0.43 0.00 0.00 0.00 0.00 179.25 179.35 1udm h ARG 18 N -1.18 0.13 0.03 0.00 2.43 -0.55 0.46 114.38 115.70 1udm h ARG 18 Ca -0.12 -0.01 -0.00 0.00 -0.81 0.00 0.00 59.98 59.04 1udm h ARG 18 Cb 0.91 -0.03 0.00 0.00 -0.42 0.00 0.00 29.97 30.43 1udm h ARG 18 CO 0.18 0.08 -0.01 0.00 -1.51 0.00 0.00 179.97 178.71 1udm h ALA 19 N 1.90 -0.04 -0.21 2.80 0.00 -1.47 0.19 119.26 122.43 1udm h ALA 19 Ca 0.67 -0.02 -0.03 0.00 0.00 0.00 0.00 54.91 55.53 1udm h ALA 19 Cb 1.53 0.01 -0.01 0.00 0.00 0.00 0.00 17.79 19.33 1udm h ALA 19 CO -0.74 -0.51 0.03 0.00 0.00 0.00 0.00 179.25 178.03 1udm h ALA 20 N 0.90 0.28 -0.03 0.00 0.00 0.17 -0.37 119.26 120.23 1udm h ALA 20 Ca -0.00 -0.18 -0.03 0.00 0.00 0.00 0.00 54.91 54.70 1udm h ALA 20 Cb 0.06 -0.08 -0.00 0.00 0.00 0.00 0.00 17.79 17.76 1udm h ALA 20 CO 0.01 -0.04 -0.11 -0.92 0.00 0.00 0.00 179.25 178.18 1udm h TYR 21 N 0.15 0.04 0.08 0.00 3.20 -0.21 -3.03 116.97 117.19 1udm h TYR 21 Ca 0.06 -0.00 -0.00 0.00 3.14 0.00 0.00 58.73 61.93 1udm h TYR 21 Cb 0.33 -0.01 0.00 0.00 1.54 0.00 0.00 36.73 38.59 1udm h TYR 21 CO 0.02 0.15 -0.04 -0.91 -1.64 0.00 0.00 178.16 175.74 1udm h ASN 22 N 0.04 -0.09 -0.23 -2.11 2.35 -0.34 -0.95 115.58 114.25 1udm h ASN 22 Ca 0.01 -0.49 0.07 0.00 -0.55 0.00 0.00 56.30 55.33 1udm h ASN 22 Cb 0.22 0.02 -0.01 0.00 0.05 0.00 0.00 38.32 38.61 1udm h ASN 22 CO 0.01 0.58 0.85 -0.07 -1.65 0.00 0.00 177.43 177.15 1udm h LEU 23 N -0.90 0.00 0.00 1.61 -0.00 -0.95 0.98 115.31 116.06 1udm h LEU 23 Ca -0.01 0.00 -0.30 0.00 -0.00 0.00 0.00 57.88 57.57 1udm h LEU 23 Cb 0.58 0.00 -0.06 0.00 -0.00 0.00 0.00 40.66 41.18 1udm h LEU 23 CO 0.02 0.00 -2.11 0.52 -0.00 0.00 0.00 178.44 176.87 1udm n VAL 24 N -2.83 1.11 0.14 1.22 0.31 -1.19 -3.74 118.33 113.35 1udm n VAL 24 Ca 0.05 -0.65 -0.01 0.00 -0.01 0.00 0.00 64.34 63.72 1udm n VAL 24 Cb 0.93 -0.67 0.17 0.00 -0.91 0.00 0.00 33.84 33.36 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 -6.55 5.55 0.11 0.22 -3.44 114.38 110.27 1udm h ARG 25 Ca -0.44 0.00 -0.59 0.00 0.10 0.00 0.00 59.98 59.05 1udm h ARG 25 Cb 1.95 0.00 0.12 0.00 1.11 0.00 0.00 29.97 33.15 1udm h ARG 25 CO 0.01 0.62 0.14 -3.47 0.10 0.00 0.00 179.97 177.37 1udm n ASP 26 N -3.76 1.26 -0.26 0.08 2.03 0.13 -4.82 116.55 111.20 1udm n ASP 26 Ca -0.01 1.11 -0.04 0.00 0.52 0.00 0.00 54.79 56.36 1udm n ASP 26 Cb 0.62 -1.32 -0.03 0.00 -0.72 0.00 0.00 41.12 39.68 1udm n ASP 26 CO 0.00 0.00 0.00 0.47 -1.92 0.00 0.00 177.20 175.75 1udm n ASP 27 N 0.91 -0.58 -2.89 1.67 8.00 -1.26 -3.90 116.55 118.49 1udm n ASP 27 Ca 0.09 1.15 -0.06 0.00 0.71 0.00 0.00 54.79 56.68 1udm n ASP 27 Cb 0.36 -0.20 -0.01 0.00 -0.02 0.00 0.00 41.12 41.25 1udm n ASP 27 CO 0.00 0.00 0.00 -0.83 -0.39 0.00 0.00 177.20 175.98 1udm s GLY 28 N -3.04 -0.98 0.11 0.44 0.00 -1.26 -5.07 107.32 97.52 1udm s GLY 28 Ca -0.08 -0.57 0.00 0.00 0.00 0.00 0.00 44.72 44.08 1udm s GLY 28 CO 0.43 3.48 0.15 -1.26 0.00 0.00 0.00 173.10 175.90 1udm n SER 29 N 3.13 0.25 -0.61 1.64 2.88 -1.25 -4.96 113.62 114.70 1udm n SER 29 Ca 0.18 -1.20 0.01 0.00 -1.33 0.00 0.00 58.87 56.53 1udm n SER 29 Cb 0.55 -0.09 0.03 0.00 -0.75 0.00 0.00 64.21 63.95 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 -2.96 2.61 -3.14 -1.46 0.00 -1.26 -4.75 120.51 109.56 1udm n ALA 30 Ca -0.02 -0.16 -0.13 0.00 0.00 0.00 0.00 53.44 53.13 1udm n ALA 30 Cb 0.09 -1.01 -0.12 0.00 0.00 0.00 0.00 19.45 18.41 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 -1.14 -0.01 0.00 0.00 1.01 -1.25 -4.01 120.40 115.01 1udm s VAL 31 Ca 0.04 0.02 0.00 0.00 0.00 0.00 0.00 61.98 62.04 1udm s VAL 31 Cb 0.03 -0.26 0.00 0.00 0.00 0.00 0.00 36.38 36.16 1udm s VAL 31 CO 0.01 0.01 0.00 2.30 0.00 0.00 0.00 175.10 177.42 1udm n ILE 32 N 3.13 0.00 -3.86 2.22 -5.35 -0.95 -4.17 119.36 110.39 1udm n ILE 32 Ca -0.14 -0.34 -0.09 0.00 -0.27 0.00 0.00 62.75 61.91 1udm n ILE 32 Cb 0.58 0.84 -0.07 0.00 -1.74 0.00 0.00 39.64 39.25 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 -1.31 0.14 -0.04 4.28 1.48 -0.93 -0.35 118.94 122.20 1udm s TRP 33 Ca 0.00 -0.56 -0.24 0.00 -1.06 0.00 0.00 56.10 54.24 1udm s TRP 33 Cb 0.00 -0.06 0.05 0.00 -1.16 0.00 0.00 33.47 32.30 1udm s TRP 33 CO 0.00 -0.54 0.53 0.54 -4.06 0.00 0.00 176.95 173.42 1udm s VAL 34 N -3.79 0.02 0.06 -0.66 0.11 0.44 -2.81 120.40 113.78 1udm s VAL 34 Ca 0.04 -0.19 0.08 0.00 -2.93 0.00 0.00 61.98 58.99 1udm s VAL 34 Cb 0.05 -0.83 -0.03 0.00 -1.53 0.00 0.00 36.38 34.03 1udm s VAL 34 CO -0.11 -0.10 -0.23 0.42 -3.33 0.00 0.00 175.10 171.75 1udm s THR 35 N -1.18 1.90 -0.37 5.04 -4.23 0.16 0.64 115.64 117.61 1udm s THR 35 Ca -0.12 -1.36 0.03 0.00 -1.18 0.00 0.00 61.69 59.06 1udm s THR 35 Cb -0.02 -1.65 0.11 0.00 1.34 0.00 0.00 72.50 72.27 1udm s THR 35 CO 0.07 0.22 0.11 -0.36 -0.54 0.00 0.00 174.62 174.12 1udm s PHE 36 N -0.86 3.05 0.52 3.99 0.40 0.11 0.12 117.98 125.31 1udm s PHE 36 Ca 0.10 -2.68 0.07 0.00 -0.60 0.00 0.00 56.93 53.81 1udm s PHE 36 Cb -0.09 -2.54 0.09 0.00 0.51 0.00 0.00 43.02 40.98 1udm s PHE 36 CO 0.03 -0.89 0.72 2.89 0.70 0.00 0.00 175.22 178.67 1udm n ARG 37 N 4.18 0.56 -4.01 0.44 1.85 -0.30 -2.27 116.66 117.11 1udm n ARG 37 Ca 0.03 -2.66 -0.33 0.00 -1.00 0.00 0.00 57.85 53.89 1udm n ARG 37 Cb 0.40 -0.26 -0.06 0.00 -1.05 0.00 0.00 32.46 31.49 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 -2.19 3.42 -0.05 2.89 1.51 -1.26 -0.06 117.35 121.60 1udm s TYR 38 Ca 0.53 0.29 0.07 0.00 -1.01 0.00 0.00 57.07 56.96 1udm s TYR 38 Cb -0.04 -1.79 0.11 0.00 -0.11 0.00 0.00 41.96 40.13 1udm s TYR 38 CO 0.34 0.60 1.06 -3.47 -1.11 0.00 0.00 175.55 172.97 1udm n ASP 39 N 1.16 2.13 0.00 2.29 2.03 -0.58 -4.91 116.55 118.67 1udm n ASP 39 Ca -0.13 -2.40 0.00 0.00 0.52 0.00 0.00 54.79 52.79 1udm n ASP 39 Cb 0.53 -0.16 0.00 0.00 -0.72 0.00 0.00 41.12 40.77 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 -0.84 0.69 2.27 0.27 0.00 -1.26 -4.83 105.19 101.48 1udm n GLY 40 Ca 0.06 -0.60 -0.11 0.00 0.00 0.00 0.00 46.02 45.37 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 -0.26 -3.65 4.61 0.00 -1.26 -4.99 120.51 114.96 1udm n ALA 41 Ca 0.00 0.13 -0.07 0.00 0.00 0.00 0.00 53.44 53.50 1udm n ALA 41 Cb 0.00 -1.38 -0.07 0.00 0.00 0.00 0.00 19.45 18.00 1udm n ALA 41 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.50 178.49 1udm s THR 42 N -2.49 -0.04 0.02 0.00 2.01 -1.26 -3.48 115.64 110.40 1udm s THR 42 Ca 0.00 0.01 -0.30 0.00 0.31 0.00 0.00 61.69 61.71 1udm s THR 42 Cb 0.00 -0.94 -0.04 0.00 0.01 0.00 0.00 72.50 71.53 1udm s THR 42 CO 0.00 0.01 1.06 -0.63 -0.69 0.00 0.00 174.62 174.36 1udm s ILE 43 N 1.65 4.57 -0.02 1.82 1.01 0.76 -1.52 121.20 129.47 1udm s ILE 43 Ca -0.10 1.84 -0.04 0.00 0.00 0.00 0.00 60.65 62.36 1udm s ILE 43 Cb -0.06 -4.18 0.00 0.00 0.01 0.00 0.00 42.46 38.23 1udm s ILE 43 CO -0.19 0.14 0.09 0.68 0.00 0.00 0.00 174.94 175.66 1udm s VAL 44 N 1.05 0.04 -0.60 2.92 -7.23 0.92 0.46 120.40 117.95 1udm s VAL 44 Ca 0.54 -0.35 -0.30 0.00 -1.81 0.00 0.00 61.98 60.07 1udm s VAL 44 Cb -0.24 -0.25 -0.12 0.00 0.56 0.00 0.00 36.38 36.33 1udm s VAL 44 CO 0.28 -0.19 2.45 -2.65 -0.31 0.00 0.00 175.10 174.68 1udm n PRO 45 N 2.35 0.77 0.00 4.82 -0.02 -1.26 -1.15 135.00 140.51 1udm n PRO 45 Ca -0.17 0.08 0.00 0.00 -2.02 0.00 0.00 63.50 61.38 1udm n PRO 45 Cb 0.58 -2.66 0.00 0.00 -0.02 0.00 0.00 33.50 31.40 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 6.27 -0.42 3.98 -1.23 0.00 0.32 -4.82 105.19 109.28 1udm n GLY 46 Ca 0.46 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 46.28 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 -1.59 5.53 -0.18 1.61 1.11 -1.24 -4.90 116.67 117.01 1udm s ASP 47 Ca 0.00 -0.04 -0.30 0.00 0.18 0.00 0.00 52.55 52.39 1udm s ASP 47 Cb 0.00 -1.00 0.13 0.00 1.07 0.00 0.00 42.92 43.12 1udm s ASP 47 CO 0.00 -0.92 1.01 -1.58 1.18 0.00 0.00 175.17 174.87 1udm s GLN 48 N -4.59 0.57 0.00 8.23 0.74 -1.26 -0.67 119.66 122.68 1udm s GLN 48 Ca 0.54 0.18 0.00 0.00 0.05 0.00 0.00 55.36 56.13 1udm s GLN 48 Cb -0.10 0.27 0.00 0.00 1.10 0.00 0.00 33.01 34.28 1udm s GLN 48 CO 0.37 -0.17 0.00 0.41 -0.55 0.00 0.00 175.29 175.35 1udm n GLY 49 N 0.86 -0.57 1.27 2.59 0.00 -1.12 -4.99 105.19 103.23 1udm n GLY 49 Ca -0.10 -1.08 0.11 0.00 0.00 0.00 0.00 46.02 44.95 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 -0.35 2.37 -3.76 4.61 0.00 -1.26 -2.20 120.51 119.93 1udm n ALA 50 Ca 0.00 -1.30 -0.35 0.00 0.00 0.00 0.00 53.44 51.79 1udm n ALA 50 Cb 0.00 -0.86 -0.13 0.00 0.00 0.00 0.00 19.45 18.46 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 -1.00 5.04 0.53 0.00 1.01 -1.26 -4.68 116.67 116.31 1udm s ASP 51 Ca 0.46 -1.74 0.29 0.00 0.71 0.00 0.00 52.55 52.27 1udm s ASP 51 Cb 0.24 -1.75 1.45 0.00 1.01 0.00 0.00 42.92 43.87 1udm s ASP 51 CO 0.31 -0.40 1.94 0.22 0.21 0.00 0.00 175.17 177.44 1udm h TYR 52 N 7.97 0.00 0.00 4.23 5.03 -1.97 0.55 116.97 132.78 1udm h TYR 52 Ca -0.15 0.00 -0.04 0.00 2.58 0.00 0.00 58.73 61.12 1udm h TYR 52 Cb 1.05 0.00 -0.01 0.00 1.55 0.00 0.00 36.73 39.32 1udm h TYR 52 CO 0.57 0.00 -0.19 1.96 -1.32 0.00 0.00 178.16 179.18 1udm h GLN 53 N 0.00 0.00 0.00 1.82 7.50 -2.00 -2.57 115.11 119.87 1udm h GLN 53 Ca 0.35 0.00 -0.17 0.00 0.50 0.00 0.00 58.65 59.33 1udm h GLN 53 Cb 1.40 0.00 -0.02 0.00 0.05 0.00 0.00 27.48 28.91 1udm h GLN 53 CO -0.00 0.19 -0.81 0.45 -1.50 0.00 0.00 178.83 177.15 1udm h HIS 54 N 0.00 0.00 -0.03 2.96 3.86 -0.31 -3.10 115.15 118.53 1udm h HIS 54 Ca -0.00 0.00 -0.12 0.00 -1.16 0.00 0.00 60.37 59.09 1udm h HIS 54 Cb 0.59 0.00 0.01 0.00 1.06 0.00 0.00 27.41 29.07 1udm h HIS 54 CO 0.00 0.81 -0.46 0.35 0.86 0.00 0.00 177.93 179.49 1udm h PHE 55 N 0.00 0.53 0.00 2.45 3.57 -1.34 -3.14 116.94 119.01 1udm h PHE 55 Ca -0.01 -0.26 0.00 0.00 3.53 0.00 0.00 57.97 61.23 1udm h PHE 55 Cb 1.52 -0.07 0.00 0.00 2.79 0.00 0.00 35.95 40.19 1udm h PHE 55 CO 0.00 1.05 0.00 0.82 -2.23 0.00 0.00 178.31 177.95 1udm h ILE 56 N -0.15 0.00 -0.04 1.41 2.04 -1.57 -0.92 117.51 118.28 1udm h ILE 56 Ca -0.05 -0.20 0.00 0.00 1.00 0.00 0.00 64.86 65.61 1udm h ILE 56 Cb 1.15 1.04 0.00 0.00 -0.74 0.00 0.00 36.82 38.27 1udm h ILE 56 CO 0.09 0.00 0.00 0.00 0.00 0.00 0.00 178.15 178.24 1udm n GLN 57 N -2.74 1.30 -0.05 2.37 1.13 -1.17 -3.52 117.38 114.69 1udm n GLN 57 Ca -0.01 -0.45 -0.05 0.00 -1.94 0.00 0.00 57.00 54.56 1udm n GLN 57 Cb 0.17 -1.40 -0.09 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 -0.39 1.96 -2.63 -1.09 1.13 -0.35 -4.94 117.38 111.06 1udm n GLN 58 Ca 0.18 -0.02 -0.43 0.00 -1.94 0.00 0.00 57.00 54.79 1udm n GLN 58 Cb 0.19 -1.30 -0.02 0.00 0.11 0.00 0.00 30.24 29.23 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 3.51 0.72 -2.00 0.00 -4.23 -1.26 -4.94 115.64 107.44 1udm s THR 60 Ca 0.46 -2.00 0.09 0.00 -1.18 0.00 0.00 61.69 59.05 1udm s THR 60 Cb -0.14 -2.56 0.24 0.00 1.34 0.00 0.00 72.50 71.38 1udm s THR 60 CO 0.12 0.00 1.24 0.47 -0.54 0.00 0.00 174.62 175.91 1udm n ASP 61 N -0.91 0.00 -0.14 3.99 9.92 -1.26 -2.68 116.55 125.47 1udm n ASP 61 Ca -0.03 -1.52 0.06 0.00 -0.53 0.00 0.00 54.79 52.78 1udm n ASP 61 Cb 0.66 0.00 0.09 0.00 -0.64 0.00 0.00 41.12 41.22 1udm n ASP 61 CO 0.00 0.00 0.00 0.47 0.13 0.00 0.00 177.20 177.80 1udm n ASP 62 N -0.65 1.74 -3.63 -2.24 8.00 -1.26 -2.49 116.55 116.02 1udm n ASP 62 Ca 0.06 -2.62 -0.11 0.00 0.71 0.00 0.00 54.79 52.84 1udm n ASP 62 Cb 0.03 -0.30 -0.05 0.00 -0.02 0.00 0.00 41.12 40.78 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 -1.92 0.07 -0.16 2.53 0.11 -1.09 -5.00 120.40 114.93 1udm s VAL 63 Ca 0.20 -0.54 -0.12 0.00 -2.93 0.00 0.00 61.98 58.58 1udm s VAL 63 Cb 0.17 -1.15 0.05 0.00 -1.53 0.00 0.00 36.38 33.92 1udm s VAL 63 CO 0.02 -0.30 0.42 0.00 -3.33 0.00 0.00 175.10 171.90 1udm s ARG 64 N -3.72 0.44 -0.08 1.54 3.03 -1.26 -0.46 118.95 118.44 1udm s ARG 64 Ca 0.02 0.68 -0.32 0.00 2.03 0.00 0.00 55.73 58.15 1udm s ARG 64 Cb 0.02 0.11 0.12 0.00 -1.03 0.00 0.00 34.95 34.17 1udm s ARG 64 CO -0.11 -0.11 1.08 -0.48 -1.13 0.00 0.00 175.30 174.55 1udm s LEU 65 N 0.79 -0.21 0.52 -1.89 -0.00 -0.46 -4.71 118.68 112.71 1udm s LEU 65 Ca -0.05 -0.05 -0.18 0.00 -0.00 0.00 0.00 54.13 53.86 1udm s LEU 65 Cb -0.06 1.68 -0.07 0.00 -0.00 0.00 0.00 46.19 47.74 1udm s LEU 65 CO -0.06 -0.43 1.02 -0.36 -0.00 0.00 0.00 176.35 176.52 1udm s PHE 66 N -2.74 3.16 -0.24 3.48 0.40 -0.96 -0.84 117.98 120.24 1udm s PHE 66 Ca 0.08 1.53 -0.04 0.00 -0.60 0.00 0.00 56.93 57.90 1udm s PHE 66 Cb -0.00 -2.94 0.09 0.00 0.51 0.00 0.00 43.02 40.67 1udm s PHE 66 CO -0.06 -0.70 0.13 0.00 0.70 0.00 0.00 175.22 175.29 1udm s ALA 67 N -2.34 0.44 -0.41 5.36 0.00 0.49 0.10 121.76 125.40 1udm s ALA 67 Ca 0.63 -0.67 -0.19 0.00 0.00 0.00 0.00 51.96 51.73 1udm s ALA 67 Cb -0.13 -1.27 0.01 0.00 0.00 0.00 0.00 23.12 21.73 1udm s ALA 67 CO 0.28 -1.44 0.56 0.12 0.00 0.00 0.00 175.76 175.28 1udm s PHE 68 N 2.14 3.12 0.11 0.00 5.36 0.21 0.90 117.98 129.83 1udm s PHE 68 Ca 0.06 -0.04 0.10 0.00 -0.96 0.00 0.00 56.93 56.09 1udm s PHE 68 Cb -0.16 -3.12 -0.04 0.00 -0.34 0.00 0.00 43.02 39.36 1udm s PHE 68 CO -0.24 -0.73 -0.21 0.08 -1.46 0.00 0.00 175.22 172.65 1udm s VAL 69 N 2.54 2.61 -0.24 3.12 1.01 -1.20 -0.42 120.40 127.82 1udm s VAL 69 Ca 0.19 -1.56 -0.10 0.00 0.00 0.00 0.00 61.98 60.51 1udm s VAL 69 Cb -0.15 -2.17 -0.05 0.00 0.00 0.00 0.00 36.38 34.01 1udm s VAL 69 CO 0.16 0.13 0.15 -0.60 0.00 0.00 0.00 175.10 174.94 1udm s ARG 70 N -2.02 4.07 -0.34 2.72 3.52 0.52 -2.93 118.95 124.50 1udm s ARG 70 Ca 0.16 -0.27 0.01 0.00 -0.13 0.00 0.00 55.73 55.50 1udm s ARG 70 Cb -0.10 -3.52 0.09 0.00 -1.56 0.00 0.00 34.95 29.85 1udm s ARG 70 CO 0.08 0.08 0.06 -0.06 -0.81 0.00 0.00 175.30 174.65 1udm s PHE 71 N 1.00 3.54 0.25 5.12 0.40 0.11 -4.95 117.98 123.45 1udm s PHE 71 Ca 0.07 -2.49 -0.31 0.00 -0.60 0.00 0.00 56.93 53.60 1udm s PHE 71 Cb -0.13 -2.70 -0.12 0.00 0.51 0.00 0.00 43.02 40.57 1udm s PHE 71 CO 0.04 -0.92 1.60 0.25 0.70 0.00 0.00 175.22 176.90 1udm n THR 72 N 4.46 0.64 -3.47 0.64 -2.24 -1.26 -0.52 114.28 112.53 1udm n THR 72 Ca -0.04 -0.16 -0.20 0.00 -2.27 0.00 0.00 64.05 61.38 1udm n THR 72 Cb 0.42 -1.86 -0.12 0.00 -2.10 0.00 0.00 70.33 66.67 1udm n THR 72 CO 0.00 0.00 0.00 0.42 -0.57 0.00 0.00 175.07 174.92 1udm s THR 73 N 0.39 -0.31 -0.46 4.28 -4.23 -1.26 -4.83 115.64 109.23 1udm s THR 73 Ca 0.69 -0.36 0.09 0.00 -1.18 0.00 0.00 61.69 60.92 1udm s THR 73 Cb -0.54 -0.84 0.37 0.00 1.34 0.00 0.00 72.50 72.83 1udm s THR 73 CO 0.43 -0.39 0.89 0.61 -0.54 0.00 0.00 174.62 175.62 1udm n GLY 74 N 5.30 4.56 0.85 3.99 0.00 -1.26 -3.75 105.19 114.88 1udm n GLY 74 Ca -0.04 -2.25 0.02 0.00 0.00 0.00 0.00 46.02 43.74 1udm n GLY 74 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 1udm n ASP 75 N -0.08 2.20 -1.07 1.61 2.03 -1.26 -4.81 116.55 115.18 1udm n ASP 75 Ca 0.28 -2.24 -0.10 0.00 0.52 0.00 0.00 54.79 53.25 1udm n ASP 75 Cb 0.56 -0.55 -0.02 0.00 -0.72 0.00 0.00 41.12 40.40 1udm n ASP 75 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 1udm n ALA 76 N 0.16 -0.26 -0.00 -1.67 0.00 -1.26 -4.87 120.51 112.61 1udm n ALA 76 Ca 0.07 0.11 -0.00 0.00 0.00 0.00 0.00 53.44 53.62 1udm n ALA 76 Cb 0.49 -1.33 -0.00 0.00 0.00 0.00 0.00 19.45 18.61 1udm n ALA 76 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1udm n MET 77 N -2.24 0.85 -0.04 0.00 0.00 -1.26 -4.88 117.12 109.55 1udm n MET 77 Ca -0.12 0.00 -0.05 0.00 0.00 0.00 0.00 57.70 57.53 1udm n MET 77 Cb 0.51 -1.00 -0.04 0.00 0.00 0.00 0.00 33.22 32.69 1udm n MET 77 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 175.97 176.40 1udm n SER 78 N -2.40 3.41 -0.37 3.17 7.64 -1.26 -5.01 113.62 118.81 1udm n SER 78 Ca -0.00 -0.04 -0.05 0.00 1.01 0.00 0.00 58.87 59.79 1udm n SER 78 Cb 0.50 -0.11 -0.02 0.00 -1.01 0.00 0.00 64.21 63.57 1udm n SER 78 CO 0.00 0.00 0.00 0.29 -3.01 0.00 0.00 175.04 172.32 1udm n LYS 79 N -2.72 -1.13 -3.96 1.43 4.76 -1.26 -4.97 118.16 110.32 1udm n LYS 79 Ca -0.13 0.55 -0.10 0.00 -2.87 0.00 0.00 58.31 55.76 1udm n LYS 79 Cb 0.64 -4.53 -0.11 0.00 -1.84 0.00 0.00 35.03 29.19 1udm n LYS 79 CO 0.00 0.00 0.00 0.50 -1.37 0.00 0.00 177.40 176.53 1udm s ARG 80 N -1.93 0.27 0.62 1.97 3.52 -1.25 -5.01 118.95 117.15 1udm s ARG 80 Ca 0.00 -0.51 -0.18 0.00 -0.13 0.00 0.00 55.73 54.91 1udm s ARG 80 Cb 0.00 0.10 -0.02 0.00 -1.56 0.00 0.00 34.95 33.47 1udm s ARG 80 CO 0.00 -0.05 1.20 -1.54 -0.81 0.00 0.00 175.30 174.10 1udm s SER 81 N -1.25 5.02 0.42 -2.12 1.04 -1.26 -4.20 113.70 111.36 1udm s SER 81 Ca -0.14 2.34 0.08 0.00 0.48 0.00 0.00 55.95 58.71 1udm s SER 81 Cb -0.08 -2.59 -0.02 0.00 0.10 0.00 0.00 66.02 63.42 1udm s SER 81 CO -0.01 -1.70 0.35 -0.54 0.98 0.00 0.00 173.24 172.32 1udm s LYS 82 N -3.51 2.49 0.11 4.02 -0.14 0.32 -4.88 119.74 118.15 1udm s LYS 82 Ca 0.76 -1.58 -0.19 0.00 -1.36 0.00 0.00 55.97 53.60 1udm s LYS 82 Cb -0.29 -2.32 0.04 0.00 -1.68 0.00 0.00 37.83 33.58 1udm s LYS 82 CO 0.36 -0.19 0.46 -0.06 -0.76 0.00 0.00 175.35 175.16 1udm s PHE 83 N -2.49 -0.31 -0.25 3.18 0.40 -1.26 0.07 117.98 117.32 1udm s PHE 83 Ca 0.47 0.10 -0.14 0.00 -0.60 0.00 0.00 56.93 56.76 1udm s PHE 83 Cb -0.02 0.32 0.08 0.00 0.51 0.00 0.00 43.02 43.91 1udm s PHE 83 CO 0.27 -0.70 0.61 0.00 0.70 0.00 0.00 175.22 176.10 1udm s ALA 84 N -3.43 -1.67 -0.92 5.36 0.00 -1.15 -1.61 121.76 118.35 1udm s ALA 84 Ca 0.00 2.17 -0.24 0.00 0.00 0.00 0.00 51.96 53.89 1udm s ALA 84 Cb 0.01 -1.33 0.05 0.00 0.00 0.00 0.00 23.12 21.84 1udm s ALA 84 CO -0.09 -0.41 1.37 -1.17 0.00 0.00 0.00 175.76 175.46 1udm s LEU 85 N 1.71 3.46 -0.68 0.00 2.96 -0.69 -3.23 118.68 122.22 1udm s LEU 85 Ca -0.09 -1.13 -0.27 0.00 -0.22 0.00 0.00 54.13 52.42 1udm s LEU 85 Cb -0.07 -2.56 -0.00 0.00 0.50 0.00 0.00 46.19 44.07 1udm s LEU 85 CO -0.18 -1.60 1.64 -0.63 -1.32 0.00 0.00 176.35 174.26 1udm s ILE 86 N 5.13 3.51 -0.68 6.68 1.01 0.26 0.67 121.20 137.77 1udm s ILE 86 Ca 0.41 0.24 -0.27 0.00 0.00 0.00 0.00 60.65 61.03 1udm s ILE 86 Cb -0.03 -4.33 0.03 0.00 0.01 0.00 0.00 42.46 38.13 1udm s ILE 86 CO -0.01 -1.29 1.26 -0.89 0.00 0.00 0.00 174.94 174.01 1udm s THR 87 N 7.77 3.82 0.19 2.92 2.01 0.62 -0.38 115.64 132.59 1udm s THR 87 Ca 0.55 0.58 -0.24 0.00 0.31 0.00 0.00 61.69 62.89 1udm s THR 87 Cb -0.10 -4.83 -0.08 0.00 0.01 0.00 0.00 72.50 67.49 1udm s THR 87 CO 0.17 -1.66 0.78 0.86 -0.69 0.00 0.00 174.62 174.08 1udm s TRP 88 N 5.53 3.82 -0.29 4.92 -0.11 -0.02 -0.25 118.94 132.54 1udm s TRP 88 Ca 0.38 1.58 -0.00 0.00 1.22 0.00 0.00 56.10 59.28 1udm s TRP 88 Cb -0.08 -2.74 0.14 0.00 -1.50 0.00 0.00 33.47 29.29 1udm s TRP 88 CO 0.19 0.44 0.31 0.42 -4.62 0.00 0.00 176.95 173.69 1udm s ILE 89 N -1.29 -0.43 0.06 5.86 1.01 -0.33 -1.36 121.20 124.72 1udm s ILE 89 Ca 0.39 -0.46 -0.26 0.00 0.00 0.00 0.00 60.65 60.31 1udm s ILE 89 Cb -0.21 -0.99 -0.14 0.00 0.01 0.00 0.00 42.46 41.13 1udm s ILE 89 CO 0.25 -0.44 0.63 0.61 0.00 0.00 0.00 174.94 175.99 1udm n GLY 90 N 5.32 -0.66 0.00 6.18 0.00 0.39 -4.42 105.19 111.99 1udm n GLY 90 Ca -0.02 0.44 0.12 0.00 0.00 0.00 0.00 46.02 46.56 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 0.97 0.73 -0.00 1.61 2.13 -1.23 -2.36 120.64 122.49 1udm n GLU 91 Ca 0.14 0.00 0.04 0.00 0.66 0.00 0.00 57.16 58.01 1udm n GLU 91 Cb 0.11 -1.50 -0.06 0.00 0.27 0.00 0.00 31.44 30.27 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 -1.00 1.43 -4.49 4.31 2.03 -1.04 -5.04 116.55 112.76 1udm n ASP 92 Ca 0.17 -0.42 -0.32 0.00 0.52 0.00 0.00 54.79 54.74 1udm n ASP 92 Cb 0.08 1.16 0.14 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 -1.44 0.00 -2.79 5.18 0.31 -0.99 -4.93 118.33 113.67 1udm n VAL 93 Ca 0.00 -0.14 -0.41 0.00 -0.01 0.00 0.00 64.34 63.78 1udm n VAL 93 Cb 0.17 -0.73 -0.04 0.00 -0.91 0.00 0.00 33.84 32.32 1udm n VAL 93 CO 0.00 0.00 0.00 -0.44 -1.32 0.00 0.00 176.83 175.07 1udm s SER 94 N -2.20 7.39 0.23 4.52 0.01 -1.26 -4.86 113.70 117.52 1udm s SER 94 Ca 0.60 1.67 0.08 0.00 1.31 0.00 0.00 55.95 59.61 1udm s SER 94 Cb -0.22 -2.55 0.72 0.00 0.21 0.00 0.00 66.02 64.18 1udm s SER 94 CO 0.65 -0.10 1.05 0.61 0.41 0.00 0.00 173.24 175.85 1udm n GLY 95 N 2.48 -0.69 0.48 3.44 0.00 -1.26 0.33 105.19 109.97 1udm n GLY 95 Ca 0.02 0.59 -0.18 0.00 0.00 0.00 0.00 46.02 46.46 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 -1.29 -1.11 0.99 7.12 -1.97 0.74 115.31 119.80 1udm h LEU 96 Ca 0.49 0.09 0.10 0.00 0.13 0.00 0.00 57.88 58.70 1udm h LEU 96 Cb 1.19 0.41 -0.07 0.00 -0.53 0.00 0.00 40.66 41.66 1udm h LEU 96 CO -0.57 -0.66 0.61 1.56 -0.13 0.00 0.00 178.44 179.25 1udm h GLN 97 N -1.01 0.94 0.00 1.25 4.20 -0.51 0.51 115.11 120.48 1udm h GLN 97 Ca -0.07 -0.06 -0.09 0.00 0.06 0.00 0.00 58.65 58.49 1udm h GLN 97 Cb 0.86 -0.21 -0.01 0.00 0.30 0.00 0.00 27.48 28.41 1udm h GLN 97 CO -0.02 0.62 -0.44 -0.09 -0.67 0.00 0.00 178.83 178.23 1udm h ARG 98 N 0.96 0.00 -0.00 1.46 2.43 -0.79 -2.26 114.38 116.18 1udm h ARG 98 Ca 0.45 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.62 1udm h ARG 98 Cb 0.41 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 29.96 1udm h ARG 98 CO -0.21 0.44 -0.16 0.00 -1.51 0.00 0.00 179.97 178.54 1udm n ALA 99 N -2.34 2.74 -0.09 2.80 0.00 0.25 -4.10 120.51 119.77 1udm n ALA 99 Ca -0.01 -0.19 -0.11 0.00 0.00 0.00 0.00 53.44 53.13 1udm n ALA 99 Cb 0.53 -1.35 -0.04 0.00 0.00 0.00 0.00 19.45 18.59 1udm n ALA 99 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 1udm n LYS 100 N -1.42 0.51 -0.26 0.00 4.76 -0.45 -4.07 118.16 117.23 1udm n LYS 100 Ca 0.08 0.37 0.25 0.00 -2.87 0.00 0.00 58.31 56.13 1udm n LYS 100 Cb 0.33 -1.56 0.45 0.00 -1.84 0.00 0.00 35.03 32.40 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 -4.49 -0.29 -0.10 -0.18 -1.04 -0.88 0.25 114.28 107.54 1udm n THR 101 Ca -0.18 1.49 -0.14 0.00 -2.04 0.00 0.00 64.05 63.18 1udm n THR 101 Cb 0.48 -2.42 -0.03 0.00 -1.82 0.00 0.00 70.33 66.54 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 0.93 1.61 3.41 0.00 -1.77 -3.06 103.07 104.20 1udm h GLY 102 Ca 0.64 -0.99 -0.11 0.00 0.00 0.00 0.00 47.33 46.87 1udm h GLY 102 CO -0.54 0.89 -0.33 -0.84 0.00 0.00 0.00 176.54 175.72 1udm h THR 103 N 0.64 1.29 0.00 4.70 2.02 0.31 -2.27 112.91 119.59 1udm h THR 103 Ca 0.04 -1.41 0.00 0.00 0.77 0.00 0.00 66.41 65.81 1udm h THR 103 Cb 1.00 1.49 0.00 0.00 -1.74 0.00 0.00 68.15 68.90 1udm h THR 103 CO 0.10 0.44 0.00 0.47 0.37 0.00 0.00 175.52 176.89 1udm n ASP 104 N -4.07 0.00 -0.08 4.18 8.00 -0.15 -3.10 116.55 121.33 1udm n ASP 104 Ca -0.01 0.04 0.01 0.00 0.71 0.00 0.00 54.79 55.54 1udm n ASP 104 Cb 0.45 -0.30 0.31 0.00 -0.02 0.00 0.00 41.12 41.56 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 0.70 -0.10 -1.24 3.64 -1.30 -1.54 116.57 116.73 1udm h LYS 105 Ca 0.00 -0.08 0.03 0.00 -1.27 0.00 0.00 60.65 59.32 1udm h LYS 105 Cb 0.19 -0.14 -0.00 0.00 -0.41 0.00 0.00 32.23 31.87 1udm h LYS 105 CO 0.00 0.55 0.24 1.15 -2.27 0.00 0.00 179.45 179.12 1udm h THR 106 N 0.71 0.17 0.00 1.00 2.02 -1.74 0.78 112.91 115.84 1udm h THR 106 Ca 0.18 0.00 -0.13 0.00 0.77 0.00 0.00 66.41 67.22 1udm h THR 106 Cb 0.08 0.78 -0.02 0.00 -1.74 0.00 0.00 68.15 67.25 1udm h THR 106 CO -0.02 0.00 -0.85 -0.07 0.37 0.00 0.00 175.52 174.95 1udm h LEU 107 N 0.00 0.00 -1.34 2.58 3.38 -1.53 -3.30 115.31 115.10 1udm h LEU 107 Ca 0.05 -0.43 0.06 0.00 0.09 0.00 0.00 57.88 57.65 1udm h LEU 107 Cb 0.53 0.00 -0.05 0.00 0.09 0.00 0.00 40.66 41.24 1udm h LEU 107 CO -0.00 1.20 0.49 0.58 0.09 0.00 0.00 178.44 180.80 1udm h VAL 108 N -1.00 1.04 -0.12 1.22 2.07 -1.28 -0.73 116.25 117.46 1udm h VAL 108 Ca -0.20 -0.28 -0.05 0.00 0.82 0.00 0.00 66.70 66.99 1udm h VAL 108 Cb 1.01 0.16 -0.01 0.00 -1.52 0.00 0.00 31.29 30.93 1udm h VAL 108 CO -0.12 0.15 -0.15 0.50 0.02 0.00 0.00 177.57 177.97 1udm h LYS 109 N 0.81 0.18 -0.88 1.57 3.64 -1.03 -2.86 116.57 118.00 1udm h LYS 109 Ca 0.32 -0.04 0.23 0.00 -1.27 0.00 0.00 60.65 59.89 1udm h LYS 109 Cb 0.22 -0.03 -0.14 0.00 -0.41 0.00 0.00 32.23 31.87 1udm h LYS 109 CO -0.11 0.34 0.23 0.93 -2.27 0.00 0.00 179.45 178.58 1udm h GLU 110 N 0.17 0.20 0.01 1.90 4.39 -1.20 -1.97 114.58 118.09 1udm h GLU 110 Ca 0.04 -0.01 -0.00 0.00 0.34 0.00 0.00 59.36 59.72 1udm h GLU 110 Cb 0.37 -0.05 0.00 0.00 -0.10 0.00 0.00 28.75 28.97 1udm h GLU 110 CO 0.02 0.13 -0.00 0.28 -1.16 0.00 0.00 179.01 178.28 1udm h VAL 111 N 0.21 1.48 -2.95 3.13 2.07 -1.63 -3.41 116.25 115.14 1udm h VAL 111 Ca 0.55 -2.01 -0.71 0.00 0.82 0.00 0.00 66.70 65.35 1udm h VAL 111 Cb 1.11 2.76 -0.20 0.00 -1.52 0.00 0.00 31.29 33.43 1udm h VAL 111 CO -0.65 0.49 0.18 0.54 0.02 0.00 0.00 177.57 178.14 1udm s VAL 112 N -2.37 4.91 -0.00 2.57 0.11 -0.74 -4.75 120.40 120.12 1udm s VAL 112 Ca -0.16 -1.24 0.00 0.00 -2.93 0.00 0.00 61.98 57.66 1udm s VAL 112 Cb -0.02 -4.52 -0.00 0.00 -1.53 0.00 0.00 36.38 30.31 1udm s VAL 112 CO 0.59 -1.15 0.00 0.00 -3.33 0.00 0.00 175.10 171.21 1udm n GLN 113 N 6.07 3.23 0.25 1.54 10.64 -1.20 -4.53 117.38 133.37 1udm n GLN 113 Ca -0.03 -0.00 0.10 0.00 -1.83 0.00 0.00 57.00 55.24 1udm n GLN 113 Cb 0.44 -1.00 0.65 0.00 -0.86 0.00 0.00 30.24 29.46 1udm n GLN 113 CO 0.00 0.00 0.00 -2.95 -1.83 0.00 0.00 177.06 172.28 1udm h ASN 114 N 0.00 0.00 -0.76 2.61 -1.07 -1.91 -3.44 115.58 111.01 1udm h ASN 114 Ca -0.00 0.00 -0.01 0.00 0.07 0.00 0.00 56.30 56.35 1udm h ASN 114 Cb 0.82 0.00 0.01 0.00 -2.07 0.00 0.00 38.32 37.08 1udm h ASN 114 CO 0.00 0.15 -0.01 2.22 0.07 0.00 0.00 177.43 179.86 1udm n PHE 115 N -3.84 -1.42 -0.02 4.14 -1.74 -1.26 -4.95 117.46 108.38 1udm n PHE 115 Ca -0.02 -0.02 -0.01 0.00 -0.56 0.00 0.00 57.45 56.84 1udm n PHE 115 Cb 0.25 -0.08 -0.00 0.00 1.52 0.00 0.00 39.48 41.17 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 -2.15 0.13 -3.63 1.98 0.00 -0.63 -4.94 120.51 111.27 1udm n ALA 116 Ca -0.01 -0.28 -0.09 0.00 0.00 0.00 0.00 53.44 53.06 1udm n ALA 116 Cb 0.02 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 -1.31 1.46 -0.10 0.00 2.20 -1.26 -5.05 119.74 115.67 1udm s LYS 117 Ca -0.04 -0.69 -0.18 0.00 -0.36 0.00 0.00 55.97 54.70 1udm s LYS 117 Cb 0.01 0.58 -0.04 0.00 -1.51 0.00 0.00 37.83 36.86 1udm s LYS 117 CO 0.07 -0.66 0.47 -1.83 -0.36 0.00 0.00 175.35 173.04 1udm s GLU 118 N -3.76 4.30 -0.38 4.03 1.03 -1.26 -1.70 118.70 120.96 1udm s GLU 118 Ca 0.06 0.44 -0.12 0.00 0.03 0.00 0.00 54.97 55.38 1udm s GLU 118 Cb -0.03 -3.41 0.02 0.00 -0.80 0.00 0.00 34.13 29.91 1udm s GLU 118 CO -0.04 0.23 0.24 -0.06 -1.33 0.00 0.00 175.26 174.30 1udm s PHE 119 N 0.40 3.24 -0.71 4.83 0.40 0.21 -4.86 117.98 121.50 1udm s PHE 119 Ca 0.25 -0.80 -0.25 0.00 -0.60 0.00 0.00 56.93 55.53 1udm s PHE 119 Cb -0.15 -2.49 0.05 0.00 0.51 0.00 0.00 43.02 40.93 1udm s PHE 119 CO 0.11 -0.61 1.16 0.08 0.70 0.00 0.00 175.22 176.65 1udm s VAL 120 N 1.60 3.96 -0.03 -0.44 1.01 -1.26 0.23 120.40 125.47 1udm s VAL 120 Ca 0.03 0.10 -0.01 0.00 0.00 0.00 0.00 61.98 62.10 1udm s VAL 120 Cb -0.19 -4.83 -0.04 0.00 0.00 0.00 0.00 36.38 31.33 1udm s VAL 120 CO 0.08 -1.70 0.04 -0.63 0.00 0.00 0.00 175.10 172.89 1udm s ILE 121 N 5.07 4.53 0.00 2.22 -1.09 0.66 -4.94 121.20 127.65 1udm s ILE 121 Ca 0.30 -0.36 0.00 0.00 -2.23 0.00 0.00 60.65 58.36 1udm s ILE 121 Cb -0.11 -3.01 0.00 0.00 -1.58 0.00 0.00 42.46 37.76 1udm s ILE 121 CO 0.13 0.45 0.00 -0.24 -1.23 0.00 0.00 174.94 174.05 1udm n SER 122 N 1.56 3.17 -4.08 3.58 2.88 -1.26 -1.18 113.62 118.29 1udm n SER 122 Ca -0.15 -0.18 -0.26 0.00 -1.33 0.00 0.00 58.87 56.95 1udm n SER 122 Cb 0.53 1.00 -0.16 0.00 -0.75 0.00 0.00 64.21 64.82 1udm n SER 122 CO 0.00 0.00 0.00 -0.62 -1.23 0.00 0.00 175.04 173.19 1udm s ASP 123 N -1.63 2.01 0.41 -3.46 2.15 -1.26 -3.48 116.67 111.41 1udm s ASP 123 Ca 0.00 -0.34 0.17 0.00 0.43 0.00 0.00 52.55 52.81 1udm s ASP 123 Cb 0.00 -0.80 1.06 0.00 -0.30 0.00 0.00 42.92 42.87 1udm s ASP 123 CO 0.00 0.08 1.86 0.03 -0.17 0.00 0.00 175.17 176.97 1udm h ARG 124 N 6.70 0.42 0.00 4.34 3.08 -1.95 0.22 114.38 127.19 1udm h ARG 124 Ca -0.30 -0.03 0.00 0.00 0.07 0.00 0.00 59.98 59.73 1udm h ARG 124 Cb 1.19 -0.09 0.00 0.00 0.08 0.00 0.00 29.97 31.14 1udm h ARG 124 CO 0.48 0.28 0.41 -0.22 -1.07 0.00 0.00 179.97 179.85 1udm h LYS 125 N 0.43 0.00 0.00 0.04 1.63 -2.01 0.90 116.57 117.56 1udm h LYS 125 Ca 0.47 0.00 0.00 0.00 -0.85 0.00 0.00 60.65 60.27 1udm h LYS 125 Cb 1.13 0.00 0.00 0.00 -0.60 0.00 0.00 32.23 32.76 1udm h LYS 125 CO -0.18 0.00 -1.70 0.39 -3.45 0.00 0.00 179.45 174.50 1udm n GLU 126 N -2.76 0.54 0.22 1.90 1.02 0.75 -4.22 120.64 118.10 1udm n GLU 126 Ca -0.02 -0.14 0.16 0.00 -0.02 0.00 0.00 57.16 57.14 1udm n GLU 126 Cb 0.45 -1.49 0.70 0.00 -0.02 0.00 0.00 31.44 31.08 1udm n GLU 126 CO 0.00 0.00 0.00 -0.07 1.18 0.00 0.00 177.13 178.24 1udm h LEU 127 N 0.00 0.00 -8.42 -4.62 -0.00 0.89 -3.41 115.31 99.75 1udm h LEU 127 Ca 0.00 0.00 -0.61 0.00 -0.00 0.00 0.00 57.88 57.27 1udm h LEU 127 Cb 0.84 0.00 -0.03 0.00 -0.00 0.00 0.00 40.66 41.47 1udm h LEU 127 CO 0.00 0.00 1.52 -0.62 -0.00 0.00 0.00 178.44 179.34 1udm n GLU 128 N -2.69 0.81 -0.56 1.13 1.02 -1.19 -4.74 120.64 114.42 1udm n GLU 128 Ca 0.00 0.17 0.45 0.00 -0.02 0.00 0.00 57.16 57.76 1udm n GLU 128 Cb 0.21 -2.41 0.73 0.00 -0.02 0.00 0.00 31.44 29.95 1udm n GLU 128 CO 0.00 0.00 0.00 -0.85 1.18 0.00 0.00 177.13 177.46 1udm n GLU 129 N 8.36 -0.02 -0.18 3.49 0.28 -1.26 0.12 120.64 131.43 1udm n GLU 129 Ca 0.46 1.18 -0.02 0.00 -0.16 0.00 0.00 57.16 58.61 1udm n GLU 129 Cb 0.23 -2.46 0.08 0.00 1.43 0.00 0.00 31.44 30.72 1udm n GLU 129 CO 0.00 0.00 0.00 -0.44 -0.16 0.00 0.00 177.13 176.53 1udm h ASP 130 N 0.00 0.25 -0.01 -1.84 5.19 -1.94 -1.48 116.42 116.60 1udm h ASP 130 Ca 0.90 0.06 -0.13 0.00 -0.62 0.00 0.00 57.03 57.24 1udm h ASP 130 Cb 3.19 0.03 -0.01 0.00 0.18 0.00 0.00 39.33 42.71 1udm h ASP 130 CO -0.29 0.17 -0.39 0.15 -3.12 0.00 0.00 179.24 175.76 1udm h PHE 131 N 0.42 0.61 0.24 4.55 3.57 0.62 -3.22 116.94 123.73 1udm h PHE 131 Ca 0.26 -0.17 0.00 0.00 3.53 0.00 0.00 57.97 61.59 1udm h PHE 131 Cb 0.27 -0.13 -0.02 0.00 2.79 0.00 0.00 35.95 38.86 1udm h PHE 131 CO -0.15 0.83 -0.23 0.82 -2.23 0.00 0.00 178.31 177.35 1udm h ILE 132 N 0.43 0.50 -0.50 1.41 1.08 -1.03 -2.93 117.51 116.46 1udm h ILE 132 Ca 0.04 0.00 0.09 0.00 -0.39 0.00 0.00 64.86 64.60 1udm h ILE 132 Cb 0.87 0.50 -0.10 0.00 -3.07 0.00 0.00 36.82 35.02 1udm h ILE 132 CO 0.07 0.00 -0.37 0.03 -0.69 0.00 0.00 178.15 177.19 1udm h ARG 133 N -0.51 -0.22 -0.98 2.37 -0.00 -1.36 0.14 114.38 113.82 1udm h ARG 133 Ca -0.01 0.02 0.34 0.00 -0.50 0.00 0.00 59.98 59.83 1udm h ARG 133 Cb 0.47 0.05 -0.16 0.00 0.00 0.00 0.00 29.97 30.33 1udm h ARG 133 CO -0.05 -0.15 0.45 1.03 0.00 0.00 0.00 179.97 181.25 1udm h SER 134 N -0.23 0.26 0.24 7.04 0.87 -1.54 0.30 113.55 120.48 1udm h SER 134 Ca 0.19 0.22 -0.01 0.00 -1.23 0.00 0.00 61.79 60.96 1udm h SER 134 Cb 0.56 0.24 0.00 0.00 -0.44 0.00 0.00 62.40 62.76 1udm h SER 134 CO -0.63 -0.26 -0.11 -0.33 -0.53 0.00 0.00 176.83 174.97 1udm h GLU 135 N 0.17 -0.31 -0.70 2.24 4.39 -0.65 -2.67 114.58 117.05 1udm h GLU 135 Ca 0.73 0.02 0.02 0.00 0.34 0.00 0.00 59.36 60.47 1udm h GLU 135 Cb 1.73 0.07 -0.04 0.00 -0.10 0.00 0.00 28.75 30.41 1udm h GLU 135 CO -0.70 -0.15 0.46 -0.07 -1.16 0.00 0.00 179.01 177.38 1udm h LEU 136 N -0.39 0.78 -1.18 1.33 3.38 -0.26 0.62 115.31 119.59 1udm h LEU 136 Ca -0.03 -0.01 0.18 0.00 0.09 0.00 0.00 57.88 58.10 1udm h LEU 136 Cb 0.30 -0.19 -0.09 0.00 0.09 0.00 0.00 40.66 40.77 1udm h LEU 136 CO 0.05 0.55 0.61 0.50 0.09 0.00 0.00 178.44 180.25 1udm h LYS 137 N 0.92 0.68 -0.22 1.13 3.64 -0.71 -0.07 116.57 121.94 1udm h LYS 137 Ca 0.27 -0.04 -0.00 0.00 -1.27 0.00 0.00 60.65 59.60 1udm h LYS 137 Cb -0.06 -0.15 -0.00 0.00 -0.41 0.00 0.00 32.23 31.60 1udm h LYS 137 CO -0.07 0.45 -0.00 0.36 -2.27 0.00 0.00 179.45 177.92 1udm n LYS 138 N -4.65 2.65 -0.30 1.90 2.85 -0.80 -4.75 118.16 115.07 1udm n LYS 138 Ca 0.21 -2.81 0.24 0.00 -1.05 0.00 0.00 58.31 54.90 1udm n LYS 138 Cb 0.56 -1.79 0.45 0.00 -0.65 0.00 0.00 35.03 33.59 1udm n LYS 138 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 177.40 177.35 1udm n ALA 139 N -0.67 0.78 -2.78 0.58 0.00 0.21 -4.74 120.51 113.89 1udm n ALA 139 Ca 0.21 0.94 0.00 0.00 0.00 0.00 0.00 53.44 54.58 1udm n ALA 139 Cb 0.85 -0.85 0.00 0.00 0.00 0.00 0.00 19.45 19.45 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 -1.30 4.12 0.00 0.00 0.00 -1.26 -5.04 105.19 101.70 1udm n GLY 140 Ca 0.30 -0.58 0.00 0.00 0.00 0.00 0.00 46.02 45.74 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 3.29 3.63 -0.02 0.00 -1.26 -5.11 105.19 105.72 1udm n GLY 141 Ca 0.00 -1.81 -0.30 0.00 0.00 0.00 0.00 46.02 43.90 1udm n GLY 141 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1udm s ALA 142 N -2.10 1.02 -0.19 4.61 0.00 -1.26 -5.06 121.76 118.79 1udm s ALA 142 Ca 0.00 0.38 -0.15 0.00 0.00 0.00 0.00 51.96 52.19 1udm s ALA 142 Cb 0.00 -3.39 0.05 0.00 0.00 0.00 0.00 23.12 19.79 1udm s ALA 142 CO 0.00 -2.98 0.49 1.21 0.00 0.00 0.00 175.76 174.47 1udm s ASN 143 N -2.68 -0.55 0.01 0.00 3.84 -1.26 -5.03 114.94 109.27 1udm s ASN 143 Ca 0.67 1.01 0.06 0.00 0.21 0.00 0.00 52.86 54.81 1udm s ASN 143 Cb -0.23 0.98 -0.03 0.00 -0.55 0.00 0.00 41.25 41.42 1udm s ASN 143 CO 0.59 -0.18 -0.16 -0.31 -2.79 0.00 0.00 177.10 174.25 1udm s TYR 144 N 0.68 2.61 0.09 0.43 1.51 -1.26 -5.04 117.35 116.37 1udm s TYR 144 Ca -0.03 -0.22 -0.16 0.00 -1.01 0.00 0.00 57.07 55.65 1udm s TYR 144 Cb -0.05 -1.52 -0.09 0.00 -0.11 0.00 0.00 41.96 40.20 1udm s TYR 144 CO -0.05 0.23 1.42 0.38 -1.11 0.00 0.00 175.55 176.43 1udm h ASP 145 N 4.77 0.68 -0.47 2.29 2.03 -2.02 -3.31 116.42 120.39 1udm h ASP 145 Ca -0.47 -0.45 0.04 0.00 -0.73 0.00 0.00 57.03 55.42 1udm h ASP 145 Cb 1.15 -0.19 -0.06 0.00 -0.83 0.00 0.00 39.33 39.41 1udm h ASP 145 CO 0.49 0.99 -0.28 0.00 -1.03 0.00 0.00 179.24 179.41 1udm n ALA 146 N -2.47 -0.30 -2.37 4.15 0.00 -1.26 -4.63 120.51 113.62 1udm n ALA 146 Ca -0.04 0.40 -0.19 0.00 0.00 0.00 0.00 53.44 53.61 1udm n ALA 146 Cb 0.43 0.11 -0.10 0.00 0.00 0.00 0.00 19.45 19.89 1udm n ALA 146 CO 0.00 0.00 0.00 1.14 0.00 0.00 0.00 177.50 178.64 1udm s GLN 147 N -4.37 1.41 0.09 0.00 0.00 -1.25 -5.15 119.66 110.40 1udm s GLN 147 Ca -0.06 -1.69 -0.08 0.00 -0.00 0.00 0.00 55.36 53.54 1udm s GLN 147 Cb 0.05 -0.97 -0.06 0.00 0.00 0.00 0.00 33.01 32.03 1udm s GLN 147 CO 0.29 0.04 0.37 -1.12 0.00 0.00 0.00 175.29 174.87 1udm s SER 148 N -3.36 6.57 0.00 12.60 0.01 -1.26 -4.37 113.70 123.88 1udm s SER 148 Ca 0.27 0.69 0.00 0.00 1.31 0.00 0.00 55.95 58.21 1udm s SER 148 Cb 0.03 -2.13 0.00 0.00 0.21 0.00 0.00 66.02 64.13 1udm s SER 148 CO 0.09 0.14 0.00 1.21 0.41 0.00 0.00 173.24 175.09