#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 -3.39 -0.12 1.61 7.64 -1.26 -4.88 113.62 113.22 1udm n SER 2 Ca 0.00 -0.90 -0.21 0.00 1.01 0.00 0.00 58.87 58.77 1udm n SER 2 Cb 0.00 -3.37 -0.08 0.00 -1.01 0.00 0.00 64.21 59.75 1udm n SER 2 CO 0.00 0.00 0.00 -0.62 -3.01 0.00 0.00 175.04 171.41 1udm n GLU 3 N -4.51 0.56 0.00 1.43 -0.58 -1.26 -5.07 120.64 111.21 1udm n GLU 3 Ca -0.02 0.33 0.00 0.00 -0.42 0.00 0.00 57.16 57.06 1udm n GLU 3 Cb 0.54 -1.54 0.00 0.00 -0.57 0.00 0.00 31.44 29.87 1udm n GLU 3 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 1udm n GLY 4 N 1.36 1.97 3.52 0.62 0.00 -1.26 -5.10 105.19 106.31 1udm n GLY 4 Ca -0.37 0.37 -0.42 0.00 0.00 0.00 0.00 46.02 45.60 1udm n GLY 4 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1udm s ALA 5 N 0.00 2.93 0.14 4.61 0.00 -1.26 -4.91 121.76 123.27 1udm s ALA 5 Ca 0.00 -1.41 -0.28 0.00 0.00 0.00 0.00 51.96 50.27 1udm s ALA 5 Cb 0.00 -4.06 -0.03 0.00 0.00 0.00 0.00 23.12 19.03 1udm s ALA 5 CO 0.00 -2.96 1.58 0.00 0.00 0.00 0.00 175.76 174.38 1udm h ALA 6 N 9.75 -0.52 -2.23 0.00 0.00 -2.03 -3.39 119.26 120.85 1udm h ALA 6 Ca -0.28 0.03 -0.55 0.00 0.00 0.00 0.00 54.91 54.11 1udm h ALA 6 Cb 1.06 0.86 0.01 0.00 0.00 0.00 0.00 17.79 19.71 1udm h ALA 6 CO 1.22 -0.90 1.26 0.99 0.00 0.00 0.00 179.25 181.82 1udm s THR 7 N -5.86 3.15 -0.57 0.00 2.01 -1.26 -4.91 115.64 108.21 1udm s THR 7 Ca -0.15 0.18 -0.28 0.00 0.31 0.00 0.00 61.69 61.75 1udm s THR 7 Cb 0.11 -3.14 0.00 0.00 0.01 0.00 0.00 72.50 69.48 1udm s THR 7 CO 0.65 -0.04 1.53 -0.32 -0.69 0.00 0.00 174.62 175.75 1udm s MET 8 N 4.86 3.15 0.06 4.92 1.75 -1.26 -4.95 119.30 127.83 1udm s MET 8 Ca 0.88 0.52 -0.19 0.00 -1.25 0.00 0.00 55.69 55.64 1udm s MET 8 Cb -0.38 -4.19 0.04 0.00 2.84 0.00 0.00 34.83 33.14 1udm s MET 8 CO 0.37 -2.12 0.44 0.00 -0.65 0.00 0.00 175.02 173.07 1udm s ALA 9 N 6.74 -1.08 -0.10 4.11 0.00 -1.26 -5.18 121.76 125.00 1udm s ALA 9 Ca 0.56 0.33 -0.29 0.00 0.00 0.00 0.00 51.96 52.57 1udm s ALA 9 Cb -0.12 0.40 0.07 0.00 0.00 0.00 0.00 23.12 23.47 1udm s ALA 9 CO 0.24 -0.49 0.67 0.99 0.00 0.00 0.00 175.76 177.16 1udm s THR 10 N -2.65 0.00 0.34 0.00 2.01 -1.26 -4.81 115.64 109.27 1udm s THR 10 Ca -0.04 -0.02 0.08 0.00 0.31 0.00 0.00 61.69 62.02 1udm s THR 10 Cb -0.00 -0.98 -0.03 0.00 0.01 0.00 0.00 72.50 71.50 1udm s THR 10 CO -0.04 -0.01 0.29 -0.54 -0.69 0.00 0.00 174.62 173.64 1udm s LYS 11 N -0.85 1.80 0.03 4.92 1.02 -0.55 -4.98 119.74 121.13 1udm s LYS 11 Ca -0.09 -2.05 0.02 0.00 0.02 0.00 0.00 55.97 53.88 1udm s LYS 11 Cb -0.01 0.33 -0.02 0.00 -0.52 0.00 0.00 37.83 37.61 1udm s LYS 11 CO 0.08 -0.67 -0.08 -1.50 -0.92 0.00 0.00 175.35 172.26 1udm s ILE 12 N -3.39 0.57 -0.19 2.17 2.07 -1.26 0.00 121.20 121.17 1udm s ILE 12 Ca 0.41 -0.91 -0.03 0.00 -1.41 0.00 0.00 60.65 58.71 1udm s ILE 12 Cb 0.02 -0.59 -0.03 0.00 0.13 0.00 0.00 42.46 41.98 1udm s ILE 12 CO 0.29 -0.25 2.78 0.47 -1.91 0.00 0.00 174.94 176.32 1udm n ASP 13 N 1.79 5.85 -0.04 4.50 9.92 0.58 -4.75 116.55 134.40 1udm n ASP 13 Ca -0.20 -2.79 0.01 0.00 -0.53 0.00 0.00 54.79 51.28 1udm n ASP 13 Cb 0.55 -1.24 0.01 0.00 -0.64 0.00 0.00 41.12 39.80 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 1.44 -0.01 0.15 -1.24 5.02 -1.26 0.27 118.16 122.53 1udm n LYS 14 Ca 0.34 0.17 -0.15 0.00 -2.02 0.00 0.00 58.31 56.65 1udm n LYS 14 Cb 0.67 -0.26 -0.08 0.00 -0.02 0.00 0.00 35.03 35.34 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 -0.70 -0.26 1.97 4.11 -1.98 0.33 114.58 118.04 1udm h GLU 15 Ca 0.05 0.05 -0.11 0.00 0.07 0.00 0.00 59.36 59.42 1udm h GLU 15 Cb 0.08 0.16 -0.01 0.00 0.50 0.00 0.00 28.75 29.48 1udm h GLU 15 CO -0.11 -0.47 -0.31 0.00 0.07 0.00 0.00 179.01 178.19 1udm h ALA 16 N -0.33 0.98 0.76 1.06 0.00 0.33 -3.21 119.26 118.84 1udm h ALA 16 Ca 0.00 -0.38 -0.04 0.00 0.00 0.00 0.00 54.91 54.49 1udm h ALA 16 Cb 0.72 -0.12 0.01 0.00 0.00 0.00 0.00 17.79 18.40 1udm h ALA 16 CO -0.21 0.60 -0.36 0.00 0.00 0.00 0.00 179.25 179.28 1udm n ARG 18 N -4.84 -0.08 -0.07 0.00 0.63 0.11 0.70 116.66 113.11 1udm n ARG 18 Ca -0.13 1.46 -0.07 0.00 -0.92 0.00 0.00 57.85 58.19 1udm n ARG 18 Cb 0.40 -2.31 -0.00 0.00 0.45 0.00 0.00 32.46 31.00 1udm n ARG 18 CO 0.00 0.00 0.00 0.00 -2.51 0.00 0.00 177.63 175.12 1udm h ALA 19 N 1.94 0.28 -0.36 5.13 0.00 -1.53 0.24 119.26 124.95 1udm h ALA 19 Ca 0.58 0.07 -0.05 0.00 0.00 0.00 0.00 54.91 55.50 1udm h ALA 19 Cb 1.17 0.10 -0.01 0.00 0.00 0.00 0.00 17.79 19.04 1udm h ALA 19 CO -0.92 -0.38 0.02 0.00 0.00 0.00 0.00 179.25 177.97 1udm h ALA 20 N 1.23 0.48 0.00 0.00 0.00 0.57 -1.31 119.26 120.23 1udm h ALA 20 Ca 0.13 -0.23 -0.00 0.00 0.00 0.00 0.00 54.91 54.81 1udm h ALA 20 Cb 0.16 -0.13 -0.00 0.00 0.00 0.00 0.00 17.79 17.82 1udm h ALA 20 CO -0.20 0.23 -0.01 -0.92 0.00 0.00 0.00 179.25 178.34 1udm h TYR 21 N 0.44 0.00 0.00 0.00 3.20 -0.27 -2.91 116.97 117.43 1udm h TYR 21 Ca 0.10 0.00 -0.11 0.00 3.14 0.00 0.00 58.73 61.86 1udm h TYR 21 Cb 0.42 0.00 -0.02 0.00 1.54 0.00 0.00 36.73 38.68 1udm h TYR 21 CO 0.03 0.01 -0.64 -0.91 -1.64 0.00 0.00 178.16 175.02 1udm h ASN 22 N 0.00 0.00 0.00 -2.11 2.35 -0.50 -2.10 115.58 113.22 1udm h ASN 22 Ca -0.00 -0.68 0.00 0.00 -0.55 0.00 0.00 56.30 55.07 1udm h ASN 22 Cb 0.18 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.55 1udm h ASN 22 CO 0.00 1.21 0.60 -0.07 -1.65 0.00 0.00 177.43 177.52 1udm h LEU 23 N -1.00 0.00 0.00 1.61 -0.00 -1.05 0.53 115.31 115.41 1udm h LEU 23 Ca -0.17 0.00 -0.26 0.00 -0.00 0.00 0.00 57.88 57.45 1udm h LEU 23 Cb 1.09 0.00 -0.05 0.00 -0.00 0.00 0.00 40.66 41.70 1udm h LEU 23 CO -0.10 0.00 -2.00 0.55 -0.00 0.00 0.00 178.44 176.89 1udm n VAL 24 N -2.61 1.00 0.16 1.22 3.14 -1.19 -3.82 118.33 116.22 1udm n VAL 24 Ca -0.01 -0.53 0.01 0.00 -2.96 0.00 0.00 64.34 60.86 1udm n VAL 24 Cb 0.62 -0.82 0.23 0.00 -1.06 0.00 0.00 33.84 32.82 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 -6.54 1.45 2.43 0.35 -3.42 114.38 108.65 1udm h ARG 25 Ca -0.39 0.00 -0.59 0.00 -0.81 0.00 0.00 59.98 58.18 1udm h ARG 25 Cb 1.78 0.00 0.12 0.00 -0.42 0.00 0.00 29.97 31.46 1udm h ARG 25 CO -0.01 0.53 0.08 -3.47 -1.51 0.00 0.00 179.97 175.59 1udm n ASP 26 N -3.70 1.01 -0.32 -3.80 -0.08 0.15 -4.86 116.55 104.95 1udm n ASP 26 Ca -0.01 1.08 -0.07 0.00 -1.51 0.00 0.00 54.79 54.28 1udm n ASP 26 Cb 0.58 -1.30 -0.03 0.00 2.34 0.00 0.00 41.12 42.71 1udm n ASP 26 CO 0.00 0.00 0.00 -0.78 0.12 0.00 0.00 177.20 176.54 1udm h ASP 27 N 1.63 -1.67 -1.36 1.67 1.82 -1.90 -3.36 116.42 113.24 1udm h ASP 27 Ca -0.42 0.29 -0.26 0.00 -0.39 0.00 0.00 57.03 56.25 1udm h ASP 27 Cb 1.35 0.78 -0.22 0.00 0.68 0.00 0.00 39.33 41.92 1udm h ASP 27 CO 0.58 -0.29 -0.62 -0.83 -1.61 0.00 0.00 179.24 176.47 1udm s GLY 28 N -2.96 -0.62 0.18 -0.78 0.00 -1.26 -5.13 107.32 96.75 1udm s GLY 28 Ca -0.13 -0.91 0.02 0.00 0.00 0.00 0.00 44.72 43.70 1udm s GLY 28 CO 0.67 3.25 0.25 -1.26 0.00 0.00 0.00 173.10 176.01 1udm n SER 29 N 3.01 0.59 -0.50 1.64 2.88 -1.26 -4.96 113.62 115.02 1udm n SER 29 Ca 0.20 -1.44 0.00 0.00 -1.33 0.00 0.00 58.87 56.31 1udm n SER 29 Cb 0.54 -0.14 0.00 0.00 -0.75 0.00 0.00 64.21 63.86 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 -2.83 2.47 -3.27 -1.46 0.00 -1.26 -4.73 120.51 109.43 1udm n ALA 30 Ca -0.04 0.00 -0.13 0.00 0.00 0.00 0.00 53.44 53.27 1udm n ALA 30 Cb 0.18 -1.00 -0.10 0.00 0.00 0.00 0.00 19.45 18.52 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 -1.01 -0.00 -0.00 0.00 1.01 -1.25 -4.12 120.40 115.04 1udm s VAL 31 Ca 0.00 0.00 0.01 0.00 0.00 0.00 0.00 61.98 61.99 1udm s VAL 31 Cb 0.00 -0.53 -0.01 0.00 0.00 0.00 0.00 36.38 35.84 1udm s VAL 31 CO 0.00 0.00 0.01 2.30 0.00 0.00 0.00 175.10 177.41 1udm n ILE 32 N 2.88 0.01 -4.20 2.22 -5.35 -1.09 -4.19 119.36 109.64 1udm n ILE 32 Ca -0.13 -0.02 -0.12 0.00 -0.27 0.00 0.00 62.75 62.21 1udm n ILE 32 Cb 0.57 0.25 -0.10 0.00 -1.74 0.00 0.00 39.64 38.63 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 1.03 -0.03 4.28 1.48 -0.95 -0.76 118.94 121.95 1udm s TRP 33 Ca -0.00 -0.98 -0.29 0.00 -1.06 0.00 0.00 56.10 53.77 1udm s TRP 33 Cb 0.00 -0.59 0.07 0.00 -1.16 0.00 0.00 33.47 31.79 1udm s TRP 33 CO 0.03 -0.20 0.64 0.54 -4.06 0.00 0.00 176.95 173.90 1udm s VAL 34 N -3.66 0.01 0.09 -0.66 0.11 0.38 -3.01 120.40 113.65 1udm s VAL 34 Ca 0.18 -0.05 0.09 0.00 -2.93 0.00 0.00 61.98 59.26 1udm s VAL 34 Cb 0.06 -0.97 -0.03 0.00 -1.53 0.00 0.00 36.38 33.91 1udm s VAL 34 CO -0.01 -0.03 -0.22 0.42 -3.33 0.00 0.00 175.10 171.93 1udm s THR 35 N -1.38 1.84 -0.32 5.04 -4.23 -0.61 0.82 115.64 116.80 1udm s THR 35 Ca -0.10 -1.49 0.01 0.00 -1.18 0.00 0.00 61.69 58.92 1udm s THR 35 Cb -0.01 -1.63 0.10 0.00 1.34 0.00 0.00 72.50 72.30 1udm s THR 35 CO 0.08 0.06 0.09 -0.36 -0.54 0.00 0.00 174.62 173.95 1udm s PHE 36 N -1.03 2.33 0.56 3.99 0.08 0.80 0.69 117.98 125.40 1udm s PHE 36 Ca 0.08 -2.13 0.09 0.00 0.12 0.00 0.00 56.93 55.09 1udm s PHE 36 Cb -0.10 -2.08 0.08 0.00 -0.57 0.00 0.00 43.02 40.35 1udm s PHE 36 CO 0.04 -0.90 0.77 -0.98 -0.10 0.00 0.00 175.22 174.05 1udm s ARG 37 N 1.37 2.36 -0.07 0.44 1.70 -0.26 -2.12 118.95 122.37 1udm s ARG 37 Ca 0.10 -1.53 -0.07 0.00 -0.47 0.00 0.00 55.73 53.76 1udm s ARG 37 Cb -0.18 -2.65 -0.04 0.00 -0.57 0.00 0.00 34.95 31.51 1udm s ARG 37 CO -0.20 -0.80 0.20 0.71 -1.08 0.00 0.00 175.30 174.14 1udm s TYR 38 N -2.64 3.60 -0.09 5.89 2.02 -1.26 -0.02 117.35 124.86 1udm s TYR 38 Ca 0.61 0.56 0.09 0.00 -0.37 0.00 0.00 57.07 57.97 1udm s TYR 38 Cb -0.06 -1.97 0.15 0.00 -0.40 0.00 0.00 41.96 39.67 1udm s TYR 38 CO 0.38 0.69 1.08 -3.47 -1.57 0.00 0.00 175.55 172.67 1udm n ASP 39 N 1.64 2.22 0.00 2.29 -0.08 -1.05 -4.93 116.55 116.64 1udm n ASP 39 Ca -0.16 -2.52 0.00 0.00 -1.51 0.00 0.00 54.79 50.60 1udm n ASP 39 Cb 0.54 -0.21 0.00 0.00 2.34 0.00 0.00 41.12 43.79 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 -0.90 0.50 2.36 0.27 0.00 -1.26 -4.84 105.19 101.32 1udm n GLY 40 Ca 0.08 -0.51 -0.16 0.00 0.00 0.00 0.00 46.02 45.43 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 -0.42 -3.23 4.61 0.00 -1.26 -4.96 120.51 115.25 1udm n ALA 41 Ca 0.00 0.17 0.00 0.00 0.00 0.00 0.00 53.44 53.61 1udm n ALA 41 Cb 0.00 -1.81 -0.03 0.00 0.00 0.00 0.00 19.45 17.61 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 -2.76 -0.89 0.25 0.00 2.01 -1.25 -1.48 115.64 111.52 1udm s THR 42 Ca 0.00 -0.02 -0.30 0.00 0.31 0.00 0.00 61.69 61.68 1udm s THR 42 Cb 0.00 -0.94 -0.11 0.00 0.01 0.00 0.00 72.50 71.46 1udm s THR 42 CO 0.00 -0.03 1.55 -0.63 -0.69 0.00 0.00 174.62 174.82 1udm s ILE 43 N 2.77 2.33 -0.08 1.82 1.01 0.10 -2.52 121.20 126.62 1udm s ILE 43 Ca 0.18 0.27 -0.10 0.00 0.00 0.00 0.00 60.65 60.99 1udm s ILE 43 Cb -0.15 -3.17 0.02 0.00 0.01 0.00 0.00 42.46 39.17 1udm s ILE 43 CO -0.19 0.04 0.27 0.68 0.00 0.00 0.00 174.94 175.73 1udm s VAL 44 N 0.28 0.01 -0.48 2.92 -7.23 0.98 -0.31 120.40 116.57 1udm s VAL 44 Ca 0.64 -0.11 -0.32 0.00 -1.81 0.00 0.00 61.98 60.38 1udm s VAL 44 Cb -0.46 -0.42 -0.12 0.00 0.56 0.00 0.00 36.38 35.95 1udm s VAL 44 CO 0.42 -0.06 2.33 -2.65 -0.31 0.00 0.00 175.10 174.83 1udm n PRO 45 N 2.61 0.96 0.00 4.82 -0.02 -1.26 -1.10 135.00 141.00 1udm n PRO 45 Ca -0.15 0.19 0.00 0.00 -2.02 0.00 0.00 63.50 61.52 1udm n PRO 45 Cb 0.58 -2.60 0.00 0.00 -0.02 0.00 0.00 33.50 31.45 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 6.36 0.64 3.97 -1.23 0.00 0.22 -4.83 105.19 110.33 1udm n GLY 46 Ca 0.43 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 46.22 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 -1.33 4.82 -0.14 1.61 1.11 -1.25 -4.91 116.67 116.59 1udm s ASP 47 Ca 0.00 -0.03 -0.31 0.00 0.18 0.00 0.00 52.55 52.39 1udm s ASP 47 Cb 0.00 -0.62 0.13 0.00 1.07 0.00 0.00 42.92 43.50 1udm s ASP 47 CO 0.00 -1.52 1.06 -1.58 1.18 0.00 0.00 175.17 174.31 1udm s GLN 48 N -5.02 0.53 0.00 8.23 0.74 -1.26 -1.57 119.66 121.31 1udm s GLN 48 Ca 0.61 -0.06 0.00 0.00 0.05 0.00 0.00 55.36 55.96 1udm s GLN 48 Cb -0.09 0.25 0.00 0.00 1.10 0.00 0.00 33.01 34.27 1udm s GLN 48 CO 0.42 -0.20 0.00 0.41 -0.55 0.00 0.00 175.29 175.36 1udm n GLY 49 N 0.21 0.34 0.11 2.59 0.00 -1.16 -4.99 105.19 102.29 1udm n GLY 49 Ca -0.06 -1.11 0.11 0.00 0.00 0.00 0.00 46.02 44.96 1udm n GLY 49 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1udm n ALA 50 N -0.67 4.17 -2.73 4.61 0.00 -1.26 -2.23 120.51 122.41 1udm n ALA 50 Ca 0.00 -0.54 -0.44 0.00 0.00 0.00 0.00 53.44 52.46 1udm n ALA 50 Cb 0.00 -0.87 -0.07 0.00 0.00 0.00 0.00 19.45 18.51 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 -2.87 6.22 0.55 0.00 1.11 -1.26 -4.61 116.67 115.82 1udm s ASP 51 Ca 0.12 -0.89 0.26 0.00 0.18 0.00 0.00 52.55 52.23 1udm s ASP 51 Cb 0.17 -2.28 1.45 0.00 1.07 0.00 0.00 42.92 43.34 1udm s ASP 51 CO 0.75 -0.83 1.99 0.22 1.18 0.00 0.00 175.17 178.49 1udm h TYR 52 N 8.94 0.00 0.00 4.23 5.03 -1.99 0.41 116.97 133.59 1udm h TYR 52 Ca -0.27 0.00 -0.02 0.00 2.58 0.00 0.00 58.73 61.02 1udm h TYR 52 Cb 1.10 0.00 -0.00 0.00 1.55 0.00 0.00 36.73 39.38 1udm h TYR 52 CO 0.73 0.00 -0.08 1.96 -1.32 0.00 0.00 178.16 179.45 1udm h GLN 53 N 0.00 0.00 0.00 1.82 1.08 -2.00 -2.63 115.11 113.38 1udm h GLN 53 Ca 0.22 0.00 -0.15 0.00 -1.45 0.00 0.00 58.65 57.27 1udm h GLN 53 Cb 0.97 0.00 -0.02 0.00 -0.05 0.00 0.00 27.48 28.38 1udm h GLN 53 CO -0.00 0.08 -0.71 0.45 -0.95 0.00 0.00 178.83 177.69 1udm h HIS 54 N 0.00 0.00 0.04 2.96 3.86 -0.58 -3.14 115.15 118.30 1udm h HIS 54 Ca -0.00 0.00 -0.21 0.00 -1.16 0.00 0.00 60.37 59.00 1udm h HIS 54 Cb 0.58 0.00 0.02 0.00 1.06 0.00 0.00 27.41 29.07 1udm h HIS 54 CO 0.00 0.71 -0.84 0.35 0.86 0.00 0.00 177.93 179.01 1udm h PHE 55 N 0.00 0.77 0.00 2.45 3.57 -1.39 -3.19 116.94 119.15 1udm h PHE 55 Ca -0.01 -0.45 0.00 0.00 3.53 0.00 0.00 57.97 61.05 1udm h PHE 55 Cb 1.54 -0.08 0.00 0.00 2.79 0.00 0.00 35.95 40.21 1udm h PHE 55 CO 0.00 1.29 0.00 0.82 -2.23 0.00 0.00 178.31 178.19 1udm h ILE 56 N 0.03 0.00 -0.08 1.41 2.04 -1.59 -1.68 117.51 117.64 1udm h ILE 56 Ca -0.12 -0.27 0.00 0.00 1.00 0.00 0.00 64.86 65.47 1udm h ILE 56 Cb 1.55 1.08 0.00 0.00 -0.74 0.00 0.00 36.82 38.71 1udm h ILE 56 CO 0.16 0.00 0.00 0.00 0.00 0.00 0.00 178.15 178.31 1udm n GLN 57 N -2.60 1.41 -0.07 2.37 1.13 -1.18 -3.67 117.38 114.76 1udm n GLN 57 Ca 0.01 -0.61 -0.08 0.00 -1.94 0.00 0.00 57.00 54.38 1udm n GLN 57 Cb 0.21 -1.37 -0.09 0.00 0.11 0.00 0.00 30.24 29.10 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 -0.19 1.49 -2.48 -1.09 1.13 -0.64 -4.94 117.38 110.67 1udm n GLN 58 Ca 0.16 0.03 -0.43 0.00 -1.94 0.00 0.00 57.00 54.82 1udm n GLN 58 Cb 0.22 -1.31 -0.02 0.00 0.11 0.00 0.00 30.24 29.24 1udm n GLN 58 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 1udm s THR 60 N 4.01 0.46 -2.00 0.00 -4.23 -1.26 -4.95 115.64 107.67 1udm s THR 60 Ca 0.53 -2.00 0.17 0.00 -1.18 0.00 0.00 61.69 59.21 1udm s THR 60 Cb -0.16 -2.52 0.47 0.00 1.34 0.00 0.00 72.50 71.63 1udm s THR 60 CO 0.19 0.00 1.48 -0.90 -0.54 0.00 0.00 174.62 174.85 1udm n ASP 61 N -0.95 0.00 -0.08 3.99 5.68 -1.26 -2.45 116.55 121.48 1udm n ASP 61 Ca -0.00 -1.00 0.10 0.00 -0.50 0.00 0.00 54.79 53.38 1udm n ASP 61 Cb 0.65 0.00 0.14 0.00 -1.14 0.00 0.00 41.12 40.77 1udm n ASP 61 CO 0.00 0.00 0.00 -0.90 -1.33 0.00 0.00 177.20 174.97 1udm n ASP 62 N -0.84 2.32 -3.53 -1.12 5.68 -1.26 -3.06 116.55 114.74 1udm n ASP 62 Ca 0.12 -3.08 -0.17 0.00 -0.50 0.00 0.00 54.79 51.17 1udm n ASP 62 Cb 0.06 -0.43 -0.06 0.00 -1.14 0.00 0.00 41.12 39.55 1udm n ASP 62 CO 0.00 0.00 0.00 0.54 -1.33 0.00 0.00 177.20 176.41 1udm s VAL 63 N -2.84 0.01 -0.08 2.12 0.11 -1.02 -5.03 120.40 113.66 1udm s VAL 63 Ca 0.32 -0.05 -0.04 0.00 -2.93 0.00 0.00 61.98 59.28 1udm s VAL 63 Cb 0.28 -0.97 0.04 0.00 -1.53 0.00 0.00 36.38 34.19 1udm s VAL 63 CO 0.03 -0.03 0.19 0.00 -3.33 0.00 0.00 175.10 171.97 1udm s ARG 64 N -1.53 0.15 0.17 1.54 3.03 -1.26 -1.63 118.95 119.41 1udm s ARG 64 Ca -0.10 0.44 -0.24 0.00 2.03 0.00 0.00 55.73 57.86 1udm s ARG 64 Cb -0.00 -0.14 0.06 0.00 -1.03 0.00 0.00 34.95 33.84 1udm s ARG 64 CO 0.07 -0.16 0.96 -0.48 -1.13 0.00 0.00 175.30 174.56 1udm s LEU 65 N 1.17 -0.15 0.40 -1.89 -0.00 -0.32 -4.66 118.68 113.23 1udm s LEU 65 Ca -0.09 -0.46 -0.10 0.00 -0.00 0.00 0.00 54.13 53.48 1udm s LEU 65 Cb -0.11 2.17 -0.06 0.00 -0.00 0.00 0.00 46.19 48.20 1udm s LEU 65 CO -0.07 -0.94 0.75 -0.36 -0.00 0.00 0.00 176.35 175.73 1udm s PHE 66 N -3.13 3.48 -0.18 3.48 0.40 -0.90 0.20 117.98 121.32 1udm s PHE 66 Ca 0.14 1.00 -0.05 0.00 -0.60 0.00 0.00 56.93 57.41 1udm s PHE 66 Cb -0.02 -2.41 0.06 0.00 0.51 0.00 0.00 43.02 41.17 1udm s PHE 66 CO 0.03 -0.10 0.09 0.00 0.70 0.00 0.00 175.22 175.95 1udm s ALA 67 N -2.37 0.46 -0.39 5.36 0.00 0.17 -0.14 121.76 124.85 1udm s ALA 67 Ca 0.50 -0.40 -0.15 0.00 0.00 0.00 0.00 51.96 51.91 1udm s ALA 67 Cb -0.10 -1.07 0.01 0.00 0.00 0.00 0.00 23.12 21.95 1udm s ALA 67 CO 0.32 -1.22 0.34 0.12 0.00 0.00 0.00 175.76 175.32 1udm s PHE 68 N 2.13 3.21 0.17 0.00 2.19 0.24 0.40 117.98 126.32 1udm s PHE 68 Ca 0.03 -0.36 0.10 0.00 0.33 0.00 0.00 56.93 57.03 1udm s PHE 68 Cb -0.16 -2.66 -0.04 0.00 -1.31 0.00 0.00 43.02 38.84 1udm s PHE 68 CO -0.12 -0.55 -0.22 0.08 1.83 0.00 0.00 175.22 176.24 1udm s VAL 69 N 1.87 2.16 -0.33 3.12 1.01 -1.24 -0.47 120.40 126.51 1udm s VAL 69 Ca 0.08 -1.95 -0.14 0.00 0.00 0.00 0.00 61.98 59.97 1udm s VAL 69 Cb -0.18 -2.00 -0.02 0.00 0.00 0.00 0.00 36.38 34.19 1udm s VAL 69 CO 0.11 -0.15 0.30 -0.60 0.00 0.00 0.00 175.10 174.76 1udm s ARG 70 N -2.61 3.58 0.27 2.72 3.52 0.06 -3.35 118.95 123.15 1udm s ARG 70 Ca 0.18 -0.48 0.02 0.00 -0.13 0.00 0.00 55.73 55.32 1udm s ARG 70 Cb -0.08 -3.79 0.02 0.00 -1.56 0.00 0.00 34.95 29.55 1udm s ARG 70 CO 0.08 -0.46 0.20 1.19 -0.81 0.00 0.00 175.30 175.51 1udm n PHE 71 N 5.25 -1.07 -3.24 5.12 3.01 0.15 -4.91 117.46 121.76 1udm n PHE 71 Ca -0.11 -1.15 -0.03 0.00 1.01 0.00 0.00 57.45 57.17 1udm n PHE 71 Cb 0.50 -0.22 -0.04 0.00 -0.01 0.00 0.00 39.48 39.71 1udm n PHE 71 CO 0.00 0.00 0.00 0.95 1.01 0.00 0.00 176.76 178.72 1udm s THR 72 N -1.33 -0.79 -0.00 4.37 -4.23 -1.26 0.44 115.64 112.83 1udm s THR 72 Ca 0.15 -0.15 0.00 0.00 -1.18 0.00 0.00 61.69 60.51 1udm s THR 72 Cb -0.01 -0.98 -0.00 0.00 1.34 0.00 0.00 72.50 72.84 1udm s THR 72 CO 0.10 -0.15 -0.00 1.07 -0.54 0.00 0.00 174.62 175.10 1udm n THR 73 N 5.38 0.00 -2.15 3.99 5.66 -1.26 -4.98 114.28 120.93 1udm n THR 73 Ca 0.02 -0.00 0.00 0.00 -3.05 0.00 0.00 64.05 61.02 1udm n THR 73 Cb 0.51 -0.57 0.00 0.00 -1.55 0.00 0.00 70.33 68.72 1udm n THR 73 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 175.07 172.63 1udm n GLY 74 N 3.42 -5.47 0.00 1.09 0.00 -1.26 -4.72 105.19 98.26 1udm n GLY 74 Ca -0.00 -0.04 -0.00 0.00 0.00 0.00 0.00 46.02 45.97 1udm n GLY 74 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 1udm n ASP 75 N 1.64 4.98 -1.27 1.61 5.75 -1.26 -4.67 116.55 123.33 1udm n ASP 75 Ca 0.00 0.00 -0.04 0.00 -0.01 0.00 0.00 54.79 54.74 1udm n ASP 75 Cb 0.00 0.57 0.03 0.00 -1.03 0.00 0.00 41.12 40.69 1udm n ASP 75 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 1udm n ALA 76 N -1.93 3.24 -2.27 2.12 0.00 -1.26 -4.74 120.51 115.67 1udm n ALA 76 Ca -0.00 -0.49 -0.13 0.00 0.00 0.00 0.00 53.44 52.81 1udm n ALA 76 Cb 0.43 -1.08 -0.00 0.00 0.00 0.00 0.00 19.45 18.79 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 0.37 -1.15 -3.15 0.00 2.81 -1.26 -4.97 117.12 109.77 1udm n MET 77 Ca 0.10 0.63 0.05 0.00 -1.81 0.00 0.00 57.70 56.67 1udm n MET 77 Cb 0.67 -4.86 -0.00 0.00 -0.71 0.00 0.00 33.22 28.32 1udm n MET 77 CO 0.00 0.00 0.00 -1.54 1.51 0.00 0.00 175.97 175.94 1udm s SER 78 N -2.43 -0.88 -0.74 7.83 1.04 -1.26 -5.11 113.70 112.15 1udm s SER 78 Ca 0.01 0.13 -0.27 0.00 0.48 0.00 0.00 55.95 56.30 1udm s SER 78 Cb -0.00 1.57 0.03 0.00 0.10 0.00 0.00 66.02 67.72 1udm s SER 78 CO 0.01 -0.16 1.25 -1.59 0.98 0.00 0.00 173.24 173.74 1udm s LYS 79 N 2.91 3.19 0.00 4.02 -2.85 -1.26 -4.49 119.74 121.26 1udm s LYS 79 Ca 0.20 -0.30 0.00 0.00 -1.00 0.00 0.00 55.97 54.87 1udm s LYS 79 Cb -0.05 -4.19 0.00 0.00 -2.06 0.00 0.00 37.83 31.52 1udm s LYS 79 CO -0.24 -2.12 0.00 0.54 0.10 0.00 0.00 175.35 173.63 1udm n ARG 80 N 9.24 0.00 -3.33 1.78 5.12 -1.26 -4.87 116.66 123.34 1udm n ARG 80 Ca 0.03 0.00 0.02 0.00 -1.93 0.00 0.00 57.85 55.97 1udm n ARG 80 Cb 0.49 -0.36 -0.03 0.00 -1.16 0.00 0.00 32.46 31.39 1udm n ARG 80 CO 0.00 0.00 0.00 -1.12 -1.93 0.00 0.00 177.63 174.58 1udm s SER 81 N -3.42 -0.54 0.53 0.55 0.01 -1.26 -4.90 113.70 104.66 1udm s SER 81 Ca 0.00 0.64 0.06 0.00 1.31 0.00 0.00 55.95 57.97 1udm s SER 81 Cb 0.00 1.58 0.03 0.00 0.21 0.00 0.00 66.02 67.84 1udm s SER 81 CO 0.00 -0.10 0.43 -0.54 0.41 0.00 0.00 173.24 173.43 1udm s LYS 82 N 2.52 2.29 0.26 12.44 -0.14 0.17 -4.93 119.74 132.35 1udm s LYS 82 Ca -0.01 -1.92 -0.17 0.00 -1.36 0.00 0.00 55.97 52.51 1udm s LYS 82 Cb -0.07 -2.18 0.01 0.00 -1.68 0.00 0.00 37.83 33.91 1udm s LYS 82 CO -0.16 -0.57 0.59 -0.06 -0.76 0.00 0.00 175.35 174.38 1udm s PHE 83 N -2.72 0.10 -0.29 3.18 0.40 -1.26 0.31 117.98 117.70 1udm s PHE 83 Ca 0.38 -0.51 -0.19 0.00 -0.60 0.00 0.00 56.93 56.02 1udm s PHE 83 Cb -0.02 0.42 0.13 0.00 0.51 0.00 0.00 43.02 44.06 1udm s PHE 83 CO 0.24 -1.10 0.96 0.00 0.70 0.00 0.00 175.22 176.02 1udm s ALA 84 N -3.97 -2.13 -0.97 5.36 0.00 -1.21 -1.88 121.76 116.96 1udm s ALA 84 Ca 0.17 2.12 -0.23 0.00 0.00 0.00 0.00 51.96 54.02 1udm s ALA 84 Cb -0.03 -1.58 0.06 0.00 0.00 0.00 0.00 23.12 21.56 1udm s ALA 84 CO 0.08 -0.31 1.38 -1.17 0.00 0.00 0.00 175.76 175.73 1udm s LEU 85 N 0.99 3.69 -0.67 0.00 2.96 -0.57 -3.62 118.68 121.47 1udm s LEU 85 Ca -0.05 -1.41 -0.26 0.00 -0.22 0.00 0.00 54.13 52.18 1udm s LEU 85 Cb -0.04 -2.54 -0.01 0.00 0.50 0.00 0.00 46.19 44.10 1udm s LEU 85 CO -0.12 -1.48 1.71 -0.63 -1.32 0.00 0.00 176.35 174.50 1udm s ILE 86 N 4.74 3.46 -0.72 6.68 1.01 0.16 0.11 121.20 136.64 1udm s ILE 86 Ca 0.43 0.20 -0.26 0.00 0.00 0.00 0.00 60.65 61.02 1udm s ILE 86 Cb -0.02 -4.22 0.04 0.00 0.01 0.00 0.00 42.46 38.28 1udm s ILE 86 CO -0.07 -1.17 1.19 -0.89 0.00 0.00 0.00 174.94 174.00 1udm s THR 87 N 8.21 3.90 0.19 2.92 2.01 0.41 0.44 115.64 133.72 1udm s THR 87 Ca 0.59 0.17 -0.23 0.00 0.31 0.00 0.00 61.69 62.52 1udm s THR 87 Cb -0.11 -4.85 -0.08 0.00 0.01 0.00 0.00 72.50 67.47 1udm s THR 87 CO 0.17 -1.75 0.76 0.86 -0.69 0.00 0.00 174.62 173.98 1udm s TRP 88 N 5.24 3.80 -0.29 4.92 -0.11 0.13 -0.65 118.94 131.98 1udm s TRP 88 Ca 0.31 1.55 0.00 0.00 1.22 0.00 0.00 56.10 59.19 1udm s TRP 88 Cb -0.10 -2.72 0.14 0.00 -1.50 0.00 0.00 33.47 29.29 1udm s TRP 88 CO 0.13 0.44 0.33 0.42 -4.62 0.00 0.00 176.95 173.65 1udm s ILE 89 N -1.31 -0.48 0.05 5.86 1.01 -0.70 -1.17 121.20 124.46 1udm s ILE 89 Ca 0.39 -0.42 -0.25 0.00 0.00 0.00 0.00 60.65 60.36 1udm s ILE 89 Cb -0.21 -0.99 -0.13 0.00 0.01 0.00 0.00 42.46 41.14 1udm s ILE 89 CO 0.24 -0.41 0.63 0.61 0.00 0.00 0.00 174.94 176.01 1udm n GLY 90 N 5.32 -0.54 0.00 6.18 0.00 -0.65 -4.48 105.19 111.02 1udm n GLY 90 Ca -0.01 0.44 0.04 0.00 0.00 0.00 0.00 46.02 46.49 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 0.94 0.78 -0.00 1.61 2.13 -1.24 -2.67 120.64 122.19 1udm n GLU 91 Ca 0.14 0.00 0.00 0.00 0.66 0.00 0.00 57.16 57.96 1udm n GLU 91 Cb 0.10 -1.17 -0.01 0.00 0.27 0.00 0.00 31.44 30.63 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 -0.67 4.76 -4.51 4.31 2.03 -1.21 -5.06 116.55 116.21 1udm n ASP 92 Ca 0.06 0.00 -0.38 0.00 0.52 0.00 0.00 54.79 54.99 1udm n ASP 92 Cb 0.03 0.88 0.04 0.00 -0.72 0.00 0.00 41.12 41.34 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 -1.70 2.59 -2.31 5.18 0.24 -1.09 -4.91 118.33 116.33 1udm n VAL 93 Ca -0.01 -0.50 -0.38 0.00 -2.04 0.00 0.00 64.34 61.41 1udm n VAL 93 Cb 0.19 -0.80 -0.02 0.00 -1.47 0.00 0.00 33.84 31.75 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 -1.17 6.61 0.19 -1.34 0.15 -1.26 -4.89 113.70 112.00 1udm s SER 94 Ca 0.70 2.35 -0.11 0.00 0.70 0.00 0.00 55.95 59.59 1udm s SER 94 Cb -0.45 -2.62 0.25 0.00 -1.71 0.00 0.00 66.02 61.50 1udm s SER 94 CO 0.53 -0.61 1.21 0.61 1.20 0.00 0.00 173.24 176.18 1udm n GLY 95 N 0.67 -1.49 0.19 9.45 0.00 -1.26 -0.87 105.19 111.88 1udm n GLY 95 Ca 0.04 0.86 -0.05 0.00 0.00 0.00 0.00 46.02 46.86 1udm n GLY 95 CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22 1udm n LEU 96 N -5.20 -0.49 -0.32 0.99 0.00 -1.26 0.22 117.00 110.95 1udm n LEU 96 Ca 0.10 1.32 0.15 0.00 0.00 0.00 0.00 56.01 57.57 1udm n LEU 96 Cb 0.34 -0.35 0.30 0.00 0.00 0.00 0.00 43.42 43.71 1udm n LEU 96 CO -0.10 -0.91 0.85 1.56 0.00 0.00 0.00 177.39 178.78 1udm h GLN 97 N 0.00 0.05 -0.19 1.96 4.20 -1.37 1.24 115.11 121.01 1udm h GLN 97 Ca 0.07 -0.00 -0.11 0.00 0.06 0.00 0.00 58.65 58.67 1udm h GLN 97 Cb 0.19 -0.01 -0.01 0.00 0.30 0.00 0.00 27.48 27.94 1udm h GLN 97 CO -0.43 0.04 -0.37 -0.09 -0.67 0.00 0.00 178.83 177.30 1udm h ARG 98 N 0.05 0.41 0.00 1.46 2.43 -0.15 0.11 114.38 118.70 1udm h ARG 98 Ca 0.59 -0.19 0.00 0.00 -0.81 0.00 0.00 59.98 59.57 1udm h ARG 98 Cb 1.23 -0.01 0.00 0.00 -0.42 0.00 0.00 29.97 30.77 1udm h ARG 98 CO -0.84 0.73 0.00 0.00 -1.51 0.00 0.00 179.97 178.35 1udm h ALA 99 N 1.26 1.00 0.04 2.80 0.00 0.56 -3.00 119.26 121.92 1udm h ALA 99 Ca 0.04 0.00 -0.37 0.00 0.00 0.00 0.00 54.91 54.57 1udm h ALA 99 Cb 0.81 0.00 -0.05 0.00 0.00 0.00 0.00 17.79 18.55 1udm h ALA 99 CO 0.07 0.00 -2.25 1.63 0.00 0.00 0.00 179.25 178.69 1udm n LYS 100 N -2.88 0.69 -0.21 0.00 4.76 0.68 -3.78 118.16 117.43 1udm n LYS 100 Ca 0.02 0.19 0.02 0.00 -2.87 0.00 0.00 58.31 55.67 1udm n LYS 100 Cb 0.37 -1.60 0.27 0.00 -1.84 0.00 0.00 35.03 32.23 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 0.03 1.14 -0.12 -0.18 2.02 -0.79 0.18 112.91 115.18 1udm h THR 101 Ca -0.50 -0.32 -0.22 0.00 0.77 0.00 0.00 66.41 66.13 1udm h THR 101 Cb 1.99 0.11 0.01 0.00 -1.74 0.00 0.00 68.15 68.52 1udm h THR 101 CO -0.00 0.17 -0.77 1.23 0.37 0.00 0.00 175.52 176.51 1udm h GLY 102 N 0.95 0.82 1.77 2.16 0.00 -1.72 -2.85 103.07 104.21 1udm h GLY 102 Ca 0.29 -1.20 -0.14 0.00 0.00 0.00 0.00 47.33 46.28 1udm h GLY 102 CO -0.08 1.07 -0.56 -0.84 0.00 0.00 0.00 176.54 176.13 1udm h THR 103 N 0.45 1.37 -0.27 4.70 2.02 -1.56 -2.70 112.91 116.93 1udm h THR 103 Ca -0.06 -1.88 0.00 0.00 0.77 0.00 0.00 66.41 65.24 1udm h THR 103 Cb 1.41 1.93 0.00 0.00 -1.74 0.00 0.00 68.15 69.75 1udm h THR 103 CO 0.16 0.56 0.00 0.47 0.37 0.00 0.00 175.52 177.08 1udm n ASP 104 N -3.91 1.47 0.07 4.18 8.00 0.60 -3.77 116.55 123.20 1udm n ASP 104 Ca -0.02 -2.01 -0.11 0.00 0.71 0.00 0.00 54.79 53.36 1udm n ASP 104 Cb 0.59 -0.19 -0.13 0.00 -0.02 0.00 0.00 41.12 41.37 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 1.57 0.13 0.00 -1.24 3.64 -1.22 -3.24 116.57 116.21 1udm h LYS 105 Ca 0.00 -0.21 0.00 0.00 -1.27 0.00 0.00 60.65 59.17 1udm h LYS 105 Cb 0.37 0.08 0.00 0.00 -0.41 0.00 0.00 32.23 32.27 1udm h LYS 105 CO 0.00 1.05 0.02 1.15 -2.27 0.00 0.00 179.45 179.40 1udm h THR 106 N 0.03 0.00 0.10 1.00 2.02 -1.74 -1.74 112.91 112.58 1udm h THR 106 Ca -0.11 0.00 -0.22 0.00 0.77 0.00 0.00 66.41 66.86 1udm h THR 106 Cb 1.89 0.57 0.00 0.00 -1.74 0.00 0.00 68.15 68.87 1udm h THR 106 CO 0.16 0.00 -1.07 -0.07 0.37 0.00 0.00 175.52 174.90 1udm h LEU 107 N 0.00 0.32 -0.90 2.58 4.07 -1.83 -3.25 115.31 116.30 1udm h LEU 107 Ca 0.00 -0.86 -0.04 0.00 0.08 0.00 0.00 57.88 57.06 1udm h LEU 107 Cb 0.04 -0.10 -0.04 0.00 1.08 0.00 0.00 40.66 41.64 1udm h LEU 107 CO 0.00 1.47 0.35 0.58 -1.08 0.00 0.00 178.44 179.76 1udm h VAL 108 N -0.48 1.25 -0.72 1.22 2.07 -1.46 -2.52 116.25 115.62 1udm h VAL 108 Ca -0.23 -0.74 -0.01 0.00 0.82 0.00 0.00 66.70 66.53 1udm h VAL 108 Cb 1.59 0.27 -0.03 0.00 -1.52 0.00 0.00 31.29 31.60 1udm h VAL 108 CO 0.05 0.31 0.40 0.50 0.02 0.00 0.00 177.57 178.85 1udm h LYS 109 N 1.13 0.99 -0.73 1.57 3.64 -1.57 -2.67 116.57 118.93 1udm h LYS 109 Ca 0.27 -0.10 0.16 0.00 -1.27 0.00 0.00 60.65 59.70 1udm h LYS 109 Cb 0.15 -0.20 -0.13 0.00 -0.41 0.00 0.00 32.23 31.64 1udm h LYS 109 CO -0.03 0.72 -0.07 0.93 -2.27 0.00 0.00 179.45 178.73 1udm h GLU 110 N 1.00 0.06 0.07 1.90 4.39 -1.48 -1.90 114.58 118.62 1udm h GLU 110 Ca 0.26 -0.00 -0.00 0.00 0.34 0.00 0.00 59.36 59.95 1udm h GLU 110 Cb 0.01 -0.01 0.00 0.00 -0.10 0.00 0.00 28.75 28.65 1udm h GLU 110 CO -0.04 0.04 -0.03 0.28 -1.16 0.00 0.00 179.01 178.09 1udm h VAL 111 N 0.06 1.21 -3.57 3.13 2.07 -1.58 -3.41 116.25 114.15 1udm h VAL 111 Ca 0.38 -1.13 -0.68 0.00 0.82 0.00 0.00 66.70 66.09 1udm h VAL 111 Cb 0.63 1.92 -0.18 0.00 -1.52 0.00 0.00 31.29 32.15 1udm h VAL 111 CO -0.68 0.27 -0.17 0.68 0.02 0.00 0.00 177.57 177.69 1udm s VAL 112 N -4.04 5.06 0.00 2.57 -7.23 -0.71 -4.83 120.40 111.23 1udm s VAL 112 Ca -0.15 -0.14 0.00 0.00 -1.81 0.00 0.00 61.98 59.87 1udm s VAL 112 Cb 0.01 -4.01 0.00 0.00 0.56 0.00 0.00 36.38 32.94 1udm s VAL 112 CO 0.62 -0.36 0.00 0.00 -0.31 0.00 0.00 175.10 175.05 1udm n GLN 113 N 5.65 2.39 0.23 4.82 1.13 -1.24 -4.49 117.38 125.87 1udm n GLN 113 Ca -0.07 0.00 0.07 0.00 -1.94 0.00 0.00 57.00 55.06 1udm n GLN 113 Cb 0.48 -0.85 0.55 0.00 0.11 0.00 0.00 30.24 30.53 1udm n GLN 113 CO 0.00 0.00 0.00 -0.97 -1.44 0.00 0.00 177.06 174.65 1udm h ASN 114 N 0.00 0.00 -0.75 1.08 -0.73 -1.92 -3.44 115.58 109.82 1udm h ASN 114 Ca 0.00 0.00 -0.01 0.00 1.87 0.00 0.00 56.30 58.16 1udm h ASN 114 Cb 0.42 0.00 0.01 0.00 0.27 0.00 0.00 38.32 39.02 1udm h ASN 114 CO 0.00 0.18 -0.01 2.22 -0.37 0.00 0.00 177.43 179.45 1udm n PHE 115 N -4.15 -1.40 -0.02 0.67 -1.74 -1.26 -4.88 117.46 104.68 1udm n PHE 115 Ca -0.02 -0.02 -0.02 0.00 -0.56 0.00 0.00 57.45 56.83 1udm n PHE 115 Cb 0.25 -0.07 -0.01 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 -2.13 0.16 -3.53 1.98 0.00 -0.79 -4.90 120.51 111.31 1udm n ALA 116 Ca -0.01 -0.34 -0.09 0.00 0.00 0.00 0.00 53.44 52.99 1udm n ALA 116 Cb 0.02 0.01 -0.03 0.00 0.00 0.00 0.00 19.45 19.45 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 -1.35 1.50 -0.10 0.00 2.20 -1.26 -5.04 119.74 115.69 1udm s LYS 117 Ca -0.05 -0.80 -0.23 0.00 -0.36 0.00 0.00 55.97 54.53 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 0.08 -0.66 0.70 -1.83 -0.36 0.00 0.00 175.35 173.28 1udm s GLU 118 N -3.86 4.39 -0.47 4.03 4.04 -1.26 -1.51 118.70 124.07 1udm s GLU 118 Ca 0.08 0.85 -0.13 0.00 0.04 0.00 0.00 54.97 55.80 1udm s GLU 118 Cb -0.03 -3.48 0.09 0.00 0.02 0.00 0.00 34.13 30.73 1udm s GLU 118 CO -0.02 -0.02 0.38 -0.06 -1.84 0.00 0.00 175.26 173.70 1udm s PHE 119 N 1.10 3.29 -0.67 4.83 0.40 0.30 -4.87 117.98 122.35 1udm s PHE 119 Ca 0.36 -1.25 -0.26 0.00 -0.60 0.00 0.00 56.93 55.18 1udm s PHE 119 Cb -0.17 -3.28 0.04 0.00 0.51 0.00 0.00 43.02 40.11 1udm s PHE 119 CO 0.16 -0.88 1.18 0.08 0.70 0.00 0.00 175.22 176.46 1udm s VAL 120 N 1.55 3.94 -0.01 -0.44 1.01 -1.26 0.15 120.40 125.35 1udm s VAL 120 Ca 0.04 0.39 0.04 0.00 0.00 0.00 0.00 61.98 62.45 1udm s VAL 120 Cb -0.25 -4.80 -0.03 0.00 0.00 0.00 0.00 36.38 31.29 1udm s VAL 120 CO 0.04 -1.61 -0.11 -0.63 0.00 0.00 0.00 175.10 172.79 1udm s ILE 121 N 5.13 3.31 -0.01 2.22 1.01 0.17 -4.93 121.20 128.10 1udm s ILE 121 Ca 0.34 -0.82 0.01 0.00 0.00 0.00 0.00 60.65 60.18 1udm s ILE 121 Cb -0.10 -2.38 -0.01 0.00 0.01 0.00 0.00 42.46 39.98 1udm s ILE 121 CO 0.17 0.46 0.02 -1.20 0.00 0.00 0.00 174.94 174.39 1udm n SER 122 N 1.83 3.58 -4.26 3.58 7.64 -1.26 -1.73 113.62 123.00 1udm n SER 122 Ca -0.16 -0.13 -0.33 0.00 1.01 0.00 0.00 58.87 59.26 1udm n SER 122 Cb 0.52 1.03 -0.16 0.00 -1.01 0.00 0.00 64.21 64.60 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 -1.83 3.54 0.35 6.43 -1.08 -1.26 -3.69 116.67 119.13 1udm s ASP 123 Ca -0.00 -0.48 0.10 0.00 -0.52 0.00 0.00 52.55 51.65 1udm s ASP 123 Cb 0.01 -1.53 0.85 0.00 -1.46 0.00 0.00 42.92 40.79 1udm s ASP 123 CO 0.03 0.12 1.82 0.03 0.52 0.00 0.00 175.17 177.69 1udm h ARG 124 N 7.06 0.64 0.00 4.34 3.08 -1.94 0.26 114.38 127.82 1udm h ARG 124 Ca -0.28 -0.04 0.00 0.00 0.07 0.00 0.00 59.98 59.73 1udm h ARG 124 Cb 1.21 -0.14 0.00 0.00 0.08 0.00 0.00 29.97 31.11 1udm h ARG 124 CO 0.54 0.42 0.30 0.87 -1.07 0.00 0.00 179.97 181.03 1udm h LYS 125 N 0.66 0.00 0.00 0.04 1.79 -2.01 0.85 116.57 117.90 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 0.92 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.57 1udm h LYS 125 CO -0.27 0.00 -1.83 0.39 -1.08 0.00 0.00 179.45 176.66 1udm n GLU 126 N -2.17 0.60 0.16 3.15 1.02 0.91 -4.26 120.64 120.05 1udm n GLU 126 Ca -0.01 -0.17 0.13 0.00 -0.02 0.00 0.00 57.16 57.09 1udm n GLU 126 Cb 0.32 -1.46 0.58 0.00 -0.02 0.00 0.00 31.44 30.86 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 -8.43 -4.62 -0.00 0.82 -3.41 115.31 99.67 1udm h LEU 127 Ca 0.00 0.00 -0.60 0.00 -0.00 0.00 0.00 57.88 57.28 1udm h LEU 127 Cb 0.86 0.00 -0.03 0.00 -0.00 0.00 0.00 40.66 41.50 1udm h LEU 127 CO 0.00 0.00 1.53 -0.62 -0.00 0.00 0.00 178.44 179.35 1udm n GLU 128 N -2.35 0.82 -0.52 1.13 1.02 -1.21 -4.74 120.64 114.79 1udm n GLU 128 Ca 0.00 0.16 0.42 0.00 -0.02 0.00 0.00 57.16 57.73 1udm n GLU 128 Cb 0.16 -2.44 0.69 0.00 -0.02 0.00 0.00 31.44 29.82 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 8.40 -0.03 -0.20 3.49 0.28 -1.26 0.15 120.64 131.48 1udm n GLU 129 Ca 0.46 1.17 -0.02 0.00 -0.16 0.00 0.00 57.16 58.60 1udm n GLU 129 Cb 0.25 -2.39 0.08 0.00 1.43 0.00 0.00 31.44 30.80 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 0.42 -0.44 -1.84 3.32 -1.93 -2.03 116.42 113.92 1udm h ASP 130 Ca 0.87 0.04 -0.12 0.00 0.02 0.00 0.00 57.03 57.84 1udm h ASP 130 Cb 2.97 -0.04 -0.02 0.00 0.22 0.00 0.00 39.33 42.47 1udm h ASP 130 CO -0.34 0.27 -0.17 0.15 -1.72 0.00 0.00 179.24 177.44 1udm h PHE 131 N 0.56 1.05 -0.45 4.55 3.57 0.11 -3.14 116.94 123.18 1udm h PHE 131 Ca 0.27 -0.23 0.09 0.00 3.53 0.00 0.00 57.97 61.63 1udm h PHE 131 Cb 0.20 -0.25 -0.08 0.00 2.79 0.00 0.00 35.95 38.60 1udm h PHE 131 CO -0.10 1.02 -0.08 0.82 -2.23 0.00 0.00 178.31 177.73 1udm h ILE 132 N 0.82 0.57 -0.15 1.41 1.08 -1.10 -2.46 117.51 117.69 1udm h ILE 132 Ca 0.12 -0.01 0.04 0.00 -0.39 0.00 0.00 64.86 64.62 1udm h ILE 132 Cb 0.72 0.55 -0.07 0.00 -3.07 0.00 0.00 36.82 34.95 1udm h ILE 132 CO 0.05 0.00 -0.50 0.03 -0.69 0.00 0.00 178.15 177.05 1udm h ARG 133 N 0.03 -0.53 -1.00 2.37 -0.00 -1.42 -0.14 114.38 113.69 1udm h ARG 133 Ca 0.22 0.04 0.40 0.00 -0.50 0.00 0.00 59.98 60.14 1udm h ARG 133 Cb 0.33 0.12 -0.18 0.00 0.00 0.00 0.00 29.97 30.24 1udm h ARG 133 CO -0.44 -0.35 0.49 1.03 0.00 0.00 0.00 179.97 180.70 1udm h SER 134 N -0.55 0.24 0.59 7.04 0.87 -1.51 0.57 113.55 120.81 1udm h SER 134 Ca 0.05 0.26 -0.03 0.00 -1.23 0.00 0.00 61.79 60.84 1udm h SER 134 Cb 0.66 0.29 0.01 0.00 -0.44 0.00 0.00 62.40 62.92 1udm h SER 134 CO -0.43 -0.43 -0.28 -0.33 -0.53 0.00 0.00 176.83 174.82 1udm h GLU 135 N 0.00 -0.76 -0.79 2.24 4.39 -0.93 -3.08 114.58 115.65 1udm h GLU 135 Ca 0.82 0.05 0.18 0.00 0.34 0.00 0.00 59.36 60.76 1udm h GLU 135 Cb 2.14 0.17 -0.14 0.00 -0.10 0.00 0.00 28.75 30.83 1udm h GLU 135 CO -0.78 -0.51 0.00 -0.07 -1.16 0.00 0.00 179.01 176.49 1udm h LEU 136 N -0.95 -0.37 -0.93 1.33 3.38 -0.51 1.46 115.31 118.71 1udm h LEU 136 Ca -0.08 0.21 0.24 0.00 0.09 0.00 0.00 57.88 58.33 1udm h LEU 136 Cb 0.61 0.37 -0.13 0.00 0.09 0.00 0.00 40.66 41.59 1udm h LEU 136 CO 0.13 -0.20 0.46 0.50 0.09 0.00 0.00 178.44 179.42 1udm h LYS 137 N 0.09 0.42 -0.19 1.13 3.64 -1.13 0.12 116.57 120.66 1udm h LYS 137 Ca 0.44 -0.03 0.00 0.00 -1.27 0.00 0.00 60.65 59.79 1udm h LYS 137 Cb 0.78 -0.10 0.00 0.00 -0.41 0.00 0.00 32.23 32.51 1udm h LYS 137 CO -0.70 0.28 0.00 0.36 -2.27 0.00 0.00 179.45 177.12 1udm n LYS 138 N -5.01 2.51 -0.57 1.90 2.85 0.11 -5.01 118.16 114.94 1udm n LYS 138 Ca 0.24 -2.72 -0.27 0.00 -1.05 0.00 0.00 58.31 54.51 1udm n LYS 138 Cb 0.71 -1.72 0.18 0.00 -0.65 0.00 0.00 35.03 33.56 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 -0.70 -3.11 -1.70 0.58 0.00 0.46 -4.77 120.51 111.27 1udm n ALA 139 Ca 0.19 -1.29 -0.42 0.00 0.00 0.00 0.00 53.44 51.92 1udm n ALA 139 Cb 0.80 -1.32 -0.03 0.00 0.00 0.00 0.00 19.45 18.90 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 -2.03 1.16 0.00 0.00 0.00 -1.26 -4.90 107.32 100.29 1udm s GLY 140 Ca 0.51 1.09 0.00 0.00 0.00 0.00 0.00 44.72 46.32 1udm s GLY 140 CO 0.54 3.52 0.00 0.61 0.00 0.00 0.00 173.10 177.77 1udm n GLY 141 N 4.90 0.95 3.83 0.20 0.00 -1.26 -5.09 105.19 108.71 1udm n GLY 141 Ca 0.23 0.00 -0.07 0.00 0.00 0.00 0.00 46.02 46.17 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 -2.47 -1.04 0.14 4.61 0.00 -1.26 -5.06 121.76 116.68 1udm s ALA 142 Ca 0.00 -0.53 -0.28 0.00 0.00 0.00 0.00 51.96 51.16 1udm s ALA 142 Cb 0.00 0.72 -0.03 0.00 0.00 0.00 0.00 23.12 23.81 1udm s ALA 142 CO 0.00 -1.01 1.59 -0.91 0.00 0.00 0.00 175.76 175.43 1udm h ASN 143 N 2.00 -1.23 -3.31 0.00 4.21 -2.04 -3.38 115.58 111.83 1udm h ASN 143 Ca -0.28 0.17 -0.66 0.00 1.21 0.00 0.00 56.30 56.74 1udm h ASN 143 Cb 1.24 0.51 -0.31 0.00 -1.12 0.00 0.00 38.32 38.65 1udm h ASN 143 CO 0.35 -0.40 -0.77 -0.72 -1.29 0.00 0.00 177.43 174.60 1udm s TYR 144 N -5.92 2.92 -0.17 1.19 1.13 -1.26 -4.96 117.35 110.28 1udm s TYR 144 Ca -0.15 -1.26 0.17 0.00 -1.41 0.00 0.00 57.07 54.42 1udm s TYR 144 Cb 0.10 -2.04 0.39 0.00 -1.10 0.00 0.00 41.96 39.31 1udm s TYR 144 CO 0.65 -0.66 1.27 -3.47 -2.51 0.00 0.00 175.55 170.83 1udm n ASP 145 N 4.72 3.03 0.06 -0.18 -0.08 -1.26 -4.77 116.55 118.07 1udm n ASP 145 Ca -0.19 -3.01 -0.13 0.00 -1.51 0.00 0.00 54.79 49.95 1udm n ASP 145 Cb 0.50 -0.47 -0.07 0.00 2.34 0.00 0.00 41.12 43.43 1udm n ASP 145 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 1udm h ALA 146 N 0.83 -0.66 -1.76 -1.67 0.00 -1.96 -3.45 119.26 110.59 1udm h ALA 146 Ca 0.00 -0.04 0.02 0.00 0.00 0.00 0.00 54.91 54.89 1udm h ALA 146 Cb 1.18 0.73 -0.24 0.00 0.00 0.00 0.00 17.79 19.46 1udm h ALA 146 CO 0.10 -0.95 0.33 -1.14 0.00 0.00 0.00 179.25 177.59 1udm s GLN 147 N -5.91 0.65 -0.09 0.00 0.74 -1.26 -5.09 119.66 108.70 1udm s GLN 147 Ca -0.16 0.73 -0.30 0.00 0.05 0.00 0.00 55.36 55.69 1udm s GLN 147 Cb 0.08 0.32 -0.03 0.00 1.10 0.00 0.00 33.01 34.48 1udm s GLN 147 CO 0.64 -0.09 1.28 -1.12 -0.55 0.00 0.00 175.29 175.45 1udm s SER 148 N 0.21 6.96 0.00 6.67 0.01 -1.26 -5.16 113.70 121.13 1udm s SER 148 Ca 0.01 1.82 0.27 0.00 1.31 0.00 0.00 55.95 59.37 1udm s SER 148 Cb -0.05 -2.55 0.84 0.00 0.21 0.00 0.00 66.02 64.47 1udm s SER 148 CO -0.03 -0.70 1.63 -1.84 0.41 0.00 0.00 173.24 172.71