#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3bdm s SER 2 N 0.00 2.66 0.03 8.00 0.01 -1.26 -0.66 113.70 122.47 3bdm s SER 2 Ca 0.00 -0.52 0.00 0.00 1.31 0.00 0.00 55.95 56.74 3bdm s SER 2 Cb 0.00 -1.03 -0.02 0.00 0.21 0.00 0.00 66.02 65.18 3bdm s SER 2 CO 0.00 -0.11 -0.04 0.27 0.41 0.00 0.00 173.24 173.77 3bdm s ILE 3 N 1.57 0.21 0.19 1.44 -4.36 -0.09 -2.22 121.20 117.94 3bdm s ILE 3 Ca 0.03 -0.95 -0.21 0.00 -0.26 0.00 0.00 60.65 59.26 3bdm s ILE 3 Cb -0.14 -0.34 0.05 0.00 1.25 0.00 0.00 42.46 43.28 3bdm s ILE 3 CO -0.09 -0.47 0.60 0.00 0.24 0.00 0.00 174.94 175.21 3bdm s MET 4 N -1.49 1.39 -0.06 0.37 0.23 -0.78 -0.07 119.30 118.88 3bdm s MET 4 Ca -0.15 -0.67 -0.02 0.00 -1.03 0.00 0.00 55.69 53.83 3bdm s MET 4 Cb -0.10 0.57 0.04 0.00 -1.53 0.00 0.00 34.83 33.81 3bdm s MET 4 CO -0.01 -0.61 0.12 0.00 -2.03 0.00 0.00 175.02 172.50 3bdm s ALA 5 N -3.81 -0.19 -0.04 3.16 0.00 -0.51 -0.85 121.76 119.51 3bdm s ALA 5 Ca 0.05 0.60 0.04 0.00 0.00 0.00 0.00 51.96 52.65 3bdm s ALA 5 Cb -0.02 -0.42 -0.00 0.00 0.00 0.00 0.00 23.12 22.68 3bdm s ALA 5 CO -0.07 -0.16 -0.16 0.08 0.00 0.00 0.00 175.76 175.45 3bdm s VAL 6 N 1.18 1.35 0.28 0.00 1.01 -0.10 -1.23 120.40 122.89 3bdm s VAL 6 Ca -0.09 -0.67 -0.05 0.00 0.00 0.00 0.00 61.98 61.17 3bdm s VAL 6 Cb -0.12 -1.17 -0.05 0.00 0.00 0.00 0.00 36.38 35.04 3bdm s VAL 6 CO -0.05 0.39 0.55 0.42 0.00 0.00 0.00 175.10 176.41 3bdm s THR 7 N 0.12 5.02 0.14 3.92 -4.23 -0.53 -0.58 115.64 119.51 3bdm s THR 7 Ca -0.05 0.08 -0.03 0.00 -1.18 0.00 0.00 61.69 60.51 3bdm s THR 7 Cb -0.12 -3.72 0.01 0.00 1.34 0.00 0.00 72.50 70.02 3bdm s THR 7 CO 0.02 -0.29 0.24 2.22 -0.54 0.00 0.00 174.62 176.28 3bdm n PHE 8 N -0.84 -1.20 -0.32 3.99 1.16 -0.49 -4.53 117.46 115.23 3bdm n PHE 8 Ca -0.02 -0.78 0.14 0.00 -1.87 0.00 0.00 57.45 54.93 3bdm n PHE 8 Cb 0.54 0.28 0.33 0.00 -1.61 0.00 0.00 39.48 39.02 3bdm n PHE 8 CO 0.00 0.00 0.00 -0.22 -1.87 0.00 0.00 176.76 174.67 3bdm h LYS 9 N 0.00 0.50 -0.03 3.97 3.64 -1.47 -2.48 116.57 120.71 3bdm h LYS 9 Ca -0.11 -0.03 0.00 0.00 -1.27 0.00 0.00 60.65 59.23 3bdm h LYS 9 Cb 0.46 -0.11 0.00 0.00 -0.41 0.00 0.00 32.23 32.16 3bdm h LYS 9 CO 0.15 0.33 -0.06 -0.25 -2.27 0.00 0.00 179.45 177.35 3bdm n ASP 10 N -4.94 2.75 0.00 4.20 10.43 -1.26 -4.98 116.55 122.74 3bdm n ASP 10 Ca 0.24 -1.89 0.00 0.00 2.57 0.00 0.00 54.79 55.70 3bdm n ASP 10 Cb 0.67 0.06 0.00 0.00 1.84 0.00 0.00 41.12 43.68 3bdm n ASP 10 CO 0.00 0.00 0.00 0.61 -1.07 0.00 0.00 177.20 176.74 3bdm n GLY 11 N 1.35 0.10 3.38 0.44 0.00 -0.93 -4.23 105.19 105.29 3bdm n GLY 11 Ca 0.14 -0.19 -0.13 0.00 0.00 0.00 0.00 46.02 45.83 3bdm n GLY 11 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3bdm s VAL 12 N 0.00 0.03 -0.01 1.61 0.11 -0.43 -1.39 120.40 120.32 3bdm s VAL 12 Ca 0.00 -0.28 0.02 0.00 -2.93 0.00 0.00 61.98 58.79 3bdm s VAL 12 Cb 0.00 -0.99 -0.00 0.00 -1.53 0.00 0.00 36.38 33.86 3bdm s VAL 12 CO 0.00 -0.15 -0.08 -0.63 -3.33 0.00 0.00 175.10 170.91 3bdm s ILE 13 N -2.64 0.63 -0.06 7.04 1.01 0.26 -0.29 121.20 127.15 3bdm s ILE 13 Ca -0.04 -0.31 0.02 0.00 0.00 0.00 0.00 60.65 60.32 3bdm s ILE 13 Cb -0.00 -0.54 -0.03 0.00 0.01 0.00 0.00 42.46 41.89 3bdm s ILE 13 CO -0.03 0.19 -0.11 -0.76 0.00 0.00 0.00 174.94 174.22 3bdm s LEU 14 N -0.02 2.90 0.05 2.97 1.02 -0.12 -0.93 118.68 124.55 3bdm s LEU 14 Ca 0.01 -0.13 0.02 0.00 0.02 0.00 0.00 54.13 54.04 3bdm s LEU 14 Cb -0.05 -1.61 -0.03 0.00 0.02 0.00 0.00 46.19 44.53 3bdm s LEU 14 CO -0.00 0.34 -0.08 -0.83 0.02 0.00 0.00 176.35 175.81 3bdm s GLY 15 N -0.72 0.55 0.11 -3.19 0.00 -0.03 -1.03 107.32 103.02 3bdm s GLY 15 Ca 0.11 -0.85 -0.25 0.00 0.00 0.00 0.00 44.72 43.73 3bdm s GLY 15 CO 0.01 -0.92 0.64 0.00 0.00 0.00 0.00 173.10 172.84 3bdm s ALA 16 N -1.72 -1.65 0.65 3.20 0.00 -0.36 -1.86 121.76 120.02 3bdm s ALA 16 Ca -0.07 0.67 0.00 0.00 0.00 0.00 0.00 51.96 52.56 3bdm s ALA 16 Cb -0.08 0.70 0.00 0.00 0.00 0.00 0.00 23.12 23.74 3bdm s ALA 16 CO -0.00 -0.70 0.00 -0.40 0.00 0.00 0.00 175.76 174.66 3bdm n ASP 17 N -0.17 0.00 -0.99 0.00 5.75 -0.94 -0.62 116.55 119.58 3bdm n ASP 17 Ca -0.17 -0.78 0.03 0.00 -0.01 0.00 0.00 54.79 53.87 3bdm n ASP 17 Cb 0.63 0.00 0.04 0.00 -1.03 0.00 0.00 41.12 40.77 3bdm n ASP 17 CO 0.00 0.00 0.00 -1.54 -0.11 0.00 0.00 177.20 175.55 3bdm n SER 18 N -2.33 0.88 -4.64 -1.12 3.41 -0.72 -4.55 113.62 104.55 3bdm n SER 18 Ca 0.00 -2.30 -0.36 0.00 -0.26 0.00 0.00 58.87 55.95 3bdm n SER 18 Cb 0.00 -0.31 -0.10 0.00 -0.26 0.00 0.00 64.21 63.55 3bdm n SER 18 CO 0.00 0.00 0.00 -0.60 -0.16 0.00 0.00 175.04 174.28 3bdm s ARG 19 N -0.59 4.02 -0.15 4.33 3.52 -1.19 -0.90 118.95 128.00 3bdm s ARG 19 Ca 0.24 -0.30 -0.00 0.00 -0.13 0.00 0.00 55.73 55.54 3bdm s ARG 19 Cb 0.26 -3.39 0.03 0.00 -1.56 0.00 0.00 34.95 30.29 3bdm s ARG 19 CO -0.09 0.15 -0.10 0.95 -0.81 0.00 0.00 175.30 175.40 3bdm s THR 20 N 0.76 1.29 0.18 4.11 -4.23 -0.62 -4.63 115.64 112.50 3bdm s THR 20 Ca 0.06 -0.55 0.09 0.00 -1.18 0.00 0.00 61.69 60.10 3bdm s THR 20 Cb -0.13 -1.31 -0.04 0.00 1.34 0.00 0.00 72.50 72.36 3bdm s THR 20 CO 0.02 0.33 -0.07 0.42 -0.54 0.00 0.00 174.62 174.77 3bdm s THR 21 N 1.59 3.31 -0.48 3.99 -4.23 -1.26 -0.63 115.64 117.93 3bdm s THR 21 Ca 0.03 -1.61 0.03 0.00 -1.18 0.00 0.00 61.69 58.97 3bdm s THR 21 Cb -0.14 -2.65 0.14 0.00 1.34 0.00 0.00 72.50 71.19 3bdm s THR 21 CO -0.09 -0.11 0.27 0.42 -0.54 0.00 0.00 174.62 174.57 3bdm s THR 22 N -1.72 1.74 0.00 3.99 -4.23 -0.16 -4.83 115.64 110.43 3bdm s THR 22 Ca 0.26 -2.89 0.00 0.00 -1.18 0.00 0.00 61.69 57.88 3bdm s THR 22 Cb -0.09 -2.21 0.00 0.00 1.34 0.00 0.00 72.50 71.54 3bdm s THR 22 CO 0.16 -0.90 0.00 0.61 -0.54 0.00 0.00 174.62 173.95 3bdm n GLY 23 N 3.26 0.90 0.87 3.99 0.00 -1.26 -3.23 105.19 109.73 3bdm n GLY 23 Ca 0.10 -0.94 0.11 0.00 0.00 0.00 0.00 46.02 45.30 3bdm n GLY 23 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3bdm n ALA 24 N 6.29 2.55 -2.69 4.61 0.00 -1.26 -4.91 120.51 125.09 3bdm n ALA 24 Ca 0.00 -0.68 -0.37 0.00 0.00 0.00 0.00 53.44 52.39 3bdm n ALA 24 Cb 0.00 -0.76 -0.06 0.00 0.00 0.00 0.00 19.45 18.62 3bdm n ALA 24 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 177.50 177.03 3bdm s TYR 25 N -1.93 3.52 -0.82 0.00 5.04 -1.20 -5.01 117.35 116.95 3bdm s TYR 25 Ca 0.26 0.81 -0.23 0.00 -2.44 0.00 0.00 57.07 55.46 3bdm s TYR 25 Cb 0.19 -2.45 0.07 0.00 0.35 0.00 0.00 41.96 40.12 3bdm s TYR 25 CO 0.30 0.26 1.20 0.42 -1.34 0.00 0.00 175.55 176.39 3bdm s ILE 26 N 0.34 4.15 0.17 3.14 1.01 -1.26 -0.99 121.20 127.75 3bdm s ILE 26 Ca 0.22 -0.50 -0.15 0.00 0.00 0.00 0.00 60.65 60.23 3bdm s ILE 26 Cb -0.15 -4.86 0.06 0.00 0.01 0.00 0.00 42.46 37.53 3bdm s ILE 26 CO 0.09 -1.69 1.73 0.00 0.00 0.00 0.00 174.94 175.07 3bdm h ALA 27 N 9.60 0.49 -3.48 9.38 0.00 -1.19 -3.41 119.26 130.64 3bdm h ALA 27 Ca -0.08 0.07 -0.34 0.00 0.00 0.00 0.00 54.91 54.57 3bdm h ALA 27 Cb 1.04 0.08 -0.34 0.00 0.00 0.00 0.00 17.79 18.56 3bdm h ALA 27 CO 1.25 -0.28 -0.74 1.21 0.00 0.00 0.00 179.25 180.69 3bdm s ASN 28 N -5.34 0.42 -0.00 0.00 3.84 -0.78 -5.02 114.94 108.05 3bdm s ASN 28 Ca -0.13 -0.00 0.21 0.00 0.21 0.00 0.00 52.86 53.14 3bdm s ASN 28 Cb 0.14 -0.18 -0.24 0.00 -0.55 0.00 0.00 41.25 40.41 3bdm s ASN 28 CO 0.72 -0.12 0.84 -2.11 -2.79 0.00 0.00 177.10 173.64 3bdm n ARG 29 N 4.26 0.17 -1.29 0.43 1.85 -1.26 -1.60 116.66 119.23 3bdm n ARG 29 Ca -0.25 -0.02 -0.10 0.00 -1.00 0.00 0.00 57.85 56.48 3bdm n ARG 29 Cb 0.50 -1.49 0.12 0.00 -1.05 0.00 0.00 32.46 30.54 3bdm n ARG 29 CO 0.00 0.00 0.00 1.33 -0.01 0.00 0.00 177.63 178.95 3bdm n VAL 30 N -1.58 2.46 -1.55 8.89 0.24 -1.19 -4.35 118.33 121.26 3bdm n VAL 30 Ca 0.03 -3.60 -0.34 0.00 -2.04 0.00 0.00 64.34 58.39 3bdm n VAL 30 Cb 0.35 -0.69 0.08 0.00 -1.47 0.00 0.00 33.84 32.11 3bdm n VAL 30 CO 0.00 0.00 0.00 -0.89 -2.14 0.00 0.00 176.83 173.80 3bdm s THR 31 N -3.91 2.50 -0.36 3.34 2.01 -0.07 -5.02 115.64 114.12 3bdm s THR 31 Ca 0.46 0.25 0.03 0.00 0.31 0.00 0.00 61.69 62.74 3bdm s THR 31 Cb 0.40 -2.83 0.10 0.00 0.01 0.00 0.00 72.50 70.18 3bdm s THR 31 CO -0.01 -0.13 0.09 -0.62 -0.69 0.00 0.00 174.62 173.26 3bdm s ASP 32 N -2.08 4.81 -0.02 3.53 3.68 -1.26 -4.41 116.67 120.93 3bdm s ASP 32 Ca 0.73 -2.20 0.13 0.00 2.13 0.00 0.00 52.55 53.34 3bdm s ASP 32 Cb -0.28 -1.66 0.39 0.00 -1.45 0.00 0.00 42.92 39.92 3bdm s ASP 32 CO 0.43 -0.39 1.30 0.29 0.13 0.00 0.00 175.17 176.93 3bdm n LYS 33 N 4.22 2.13 -3.54 4.34 5.02 -1.26 -4.70 118.16 124.36 3bdm n LYS 33 Ca 0.03 -1.57 -0.41 0.00 -2.02 0.00 0.00 58.31 54.34 3bdm n LYS 33 Cb 0.41 -1.40 -0.09 0.00 -0.02 0.00 0.00 35.03 33.93 3bdm n LYS 33 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 3bdm s LEU 34 N -1.07 5.49 -0.09 -0.35 1.43 -1.26 -1.67 118.68 121.16 3bdm s LEU 34 Ca 0.29 -1.68 -0.02 0.00 -1.03 0.00 0.00 54.13 51.69 3bdm s LEU 34 Cb 0.16 -2.03 -0.03 0.00 0.03 0.00 0.00 46.19 44.32 3bdm s LEU 34 CO 0.18 -0.63 0.01 -0.89 0.23 0.00 0.00 176.35 175.25 3bdm s THR 35 N 1.43 4.40 -0.24 5.49 2.01 -0.60 -4.96 115.64 123.18 3bdm s THR 35 Ca 0.04 -0.21 -0.18 0.00 0.31 0.00 0.00 61.69 61.65 3bdm s THR 35 Cb -0.25 -2.86 -0.03 0.00 0.01 0.00 0.00 72.50 69.37 3bdm s THR 35 CO 0.01 0.60 0.50 -0.60 -0.69 0.00 0.00 174.62 174.45 3bdm s ARG 36 N -0.83 4.11 -0.01 4.92 3.52 -1.26 -0.63 118.95 128.76 3bdm s ARG 36 Ca 0.13 0.34 0.12 0.00 -0.13 0.00 0.00 55.73 56.19 3bdm s ARG 36 Cb -0.11 -3.61 -0.18 0.00 -1.56 0.00 0.00 34.95 29.48 3bdm s ARG 36 CO 0.02 -0.26 0.30 1.33 -0.81 0.00 0.00 175.30 175.88 3bdm n VAL 37 N 4.90 0.00 -3.91 7.11 0.24 -0.76 -4.95 118.33 120.97 3bdm n VAL 37 Ca -0.05 -0.27 -0.11 0.00 -2.04 0.00 0.00 64.34 61.87 3bdm n VAL 37 Cb 0.50 0.32 -0.00 0.00 -1.47 0.00 0.00 33.84 33.19 3bdm n VAL 37 CO 0.00 0.00 0.00 -2.28 -2.14 0.00 0.00 176.83 172.41 3bdm s HIS 38 N -2.77 0.43 0.13 6.34 5.65 -0.71 -4.64 115.29 119.73 3bdm s HIS 38 Ca -0.03 -0.94 -0.25 0.00 0.25 0.00 0.00 55.06 54.08 3bdm s HIS 38 Cb 0.08 0.51 -0.04 0.00 -1.18 0.00 0.00 32.58 31.96 3bdm s HIS 38 CO 0.51 -1.40 1.63 -0.44 -0.65 0.00 0.00 174.74 174.39 3bdm h ASP 39 N 2.04 -0.78 -0.33 9.88 3.32 -2.00 -3.22 116.42 125.33 3bdm h ASP 39 Ca -0.30 0.11 -0.25 0.00 0.02 0.00 0.00 57.03 56.61 3bdm h ASP 39 Cb 1.25 0.33 -0.23 0.00 0.22 0.00 0.00 39.33 40.89 3bdm h ASP 39 CO 0.39 -0.32 -0.72 0.29 -1.72 0.00 0.00 179.24 177.16 3bdm n LYS 40 N -5.38 2.26 -3.86 3.56 5.02 -1.26 -4.94 118.16 113.57 3bdm n LYS 40 Ca -0.04 -3.55 -0.27 0.00 -2.02 0.00 0.00 58.31 52.43 3bdm n LYS 40 Cb 0.29 -1.74 -0.17 0.00 -0.02 0.00 0.00 35.03 33.39 3bdm n LYS 40 CO 0.00 0.00 0.00 0.42 -0.52 0.00 0.00 177.40 177.30 3bdm s ILE 41 N -3.54 0.94 0.43 -0.18 1.09 -1.22 0.04 121.20 118.76 3bdm s ILE 41 Ca 0.42 -0.46 0.03 0.00 -1.10 0.00 0.00 60.65 59.54 3bdm s ILE 41 Cb 0.38 -1.12 -0.03 0.00 -1.06 0.00 0.00 42.46 40.64 3bdm s ILE 41 CO -0.03 0.16 0.08 0.26 -0.10 0.00 0.00 174.94 175.31 3bdm s TRP 42 N 1.71 1.87 0.09 3.97 0.52 0.66 -1.73 118.94 126.02 3bdm s TRP 42 Ca 0.02 -1.12 -0.07 0.00 0.02 0.00 0.00 56.10 54.95 3bdm s TRP 42 Cb -0.14 -1.33 -0.01 0.00 -1.15 0.00 0.00 33.47 30.84 3bdm s TRP 42 CO -0.08 -0.08 0.14 0.00 0.02 0.00 0.00 176.95 176.96 3bdm s ARG 45 N 0.81 3.98 0.09 0.00 0.52 -0.67 -1.83 118.95 121.84 3bdm s ARG 45 Ca -0.03 -0.33 0.02 0.00 -0.52 0.00 0.00 55.73 54.88 3bdm s ARG 45 Cb -0.15 -3.34 -0.04 0.00 0.52 0.00 0.00 34.95 31.94 3bdm s ARG 45 CO 0.01 0.15 -0.08 -1.54 0.02 0.00 0.00 175.30 173.87 3bdm s SER 46 N 0.74 1.17 0.00 0.23 1.04 -0.61 -4.92 113.70 111.35 3bdm s SER 46 Ca 0.05 -0.87 0.00 0.00 0.48 0.00 0.00 55.95 55.61 3bdm s SER 46 Cb -0.13 0.06 0.00 0.00 0.10 0.00 0.00 66.02 66.05 3bdm s SER 46 CO 0.02 -0.37 0.00 0.61 0.98 0.00 0.00 173.24 174.48 3bdm n GLY 47 N 0.39 -0.46 3.73 7.32 0.00 -1.26 -0.74 105.19 114.17 3bdm n GLY 47 Ca -0.15 -1.91 -0.42 0.00 0.00 0.00 0.00 46.02 43.54 3bdm n GLY 47 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 3bdm s SER 48 N -4.00 6.65 0.06 1.61 0.15 0.28 -4.92 113.70 113.53 3bdm s SER 48 Ca 0.00 2.62 -0.25 0.00 0.70 0.00 0.00 55.95 59.02 3bdm s SER 48 Cb 0.00 -2.61 -0.17 0.00 -1.71 0.00 0.00 66.02 61.53 3bdm s SER 48 CO 0.00 -0.73 1.57 0.00 1.20 0.00 0.00 173.24 175.27 3bdm h ALA 49 N 5.71 -0.17 -0.66 5.45 0.00 -1.92 0.00 119.26 127.67 3bdm h ALA 49 Ca -0.45 -0.10 0.03 0.00 0.00 0.00 0.00 54.91 54.40 3bdm h ALA 49 Cb 1.21 0.07 -0.04 0.00 0.00 0.00 0.00 17.79 19.03 3bdm h ALA 49 CO 0.83 -0.53 0.40 0.00 0.00 0.00 0.00 179.25 179.95 3bdm h ALA 50 N 0.54 0.86 -0.13 0.00 0.00 -1.97 0.16 119.26 118.72 3bdm h ALA 50 Ca -0.02 -0.01 -0.01 0.00 0.00 0.00 0.00 54.91 54.87 3bdm h ALA 50 Cb 0.25 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 17.84 3bdm h ALA 50 CO 0.03 0.14 0.03 -0.44 0.00 0.00 0.00 179.25 179.01 3bdm h ASP 51 N 0.77 0.20 -0.49 0.00 3.32 -1.83 -1.46 116.42 116.94 3bdm h ASP 51 Ca 0.27 -0.23 -0.13 0.00 0.02 0.00 0.00 57.03 56.97 3bdm h ASP 51 Cb 0.05 -0.05 -0.01 0.00 0.22 0.00 0.00 39.33 39.53 3bdm h ASP 51 CO -0.12 0.37 -0.18 0.71 -1.72 0.00 0.00 179.24 178.30 3bdm h THR 52 N 0.02 1.27 -0.19 0.35 1.35 -0.73 -1.15 112.91 113.82 3bdm h THR 52 Ca 0.04 -1.34 -0.00 0.00 -0.55 0.00 0.00 66.41 64.56 3bdm h THR 52 Cb 0.25 1.10 -0.01 0.00 -1.73 0.00 0.00 68.15 67.76 3bdm h THR 52 CO 0.00 0.47 0.12 1.56 -0.25 0.00 0.00 175.52 177.41 3bdm h GLN 53 N 0.84 0.26 -0.76 4.72 4.20 -0.97 0.12 115.11 123.52 3bdm h GLN 53 Ca 0.12 -0.02 -0.00 0.00 0.06 0.00 0.00 58.65 58.80 3bdm h GLN 53 Cb 0.76 -0.05 -0.04 0.00 0.30 0.00 0.00 27.48 28.45 3bdm h GLN 53 CO 0.06 0.21 0.46 0.00 -0.67 0.00 0.00 178.83 178.90 3bdm h ALA 54 N 1.03 0.97 -0.47 3.87 0.00 -1.17 0.54 119.26 124.03 3bdm h ALA 54 Ca 0.07 -0.08 -0.06 0.00 0.00 0.00 0.00 54.91 54.84 3bdm h ALA 54 Cb 0.02 -0.31 -0.02 0.00 0.00 0.00 0.00 17.79 17.48 3bdm h ALA 54 CO -0.01 0.43 0.08 0.82 0.00 0.00 0.00 179.25 180.57 3bdm h ILE 55 N 1.04 1.25 0.31 0.00 5.03 -0.92 -2.35 117.51 121.86 3bdm h ILE 55 Ca 0.27 -0.91 -0.02 0.00 -0.12 0.00 0.00 64.86 64.09 3bdm h ILE 55 Cb -0.05 0.93 0.00 0.00 -3.03 0.00 0.00 36.82 34.67 3bdm h ILE 55 CO -0.05 0.32 -0.15 0.00 -0.68 0.00 0.00 178.15 177.59 3bdm h ALA 56 N 0.96 -0.42 -0.79 1.87 0.00 -0.40 -0.60 119.26 119.88 3bdm h ALA 56 Ca 0.14 -0.09 0.16 0.00 0.00 0.00 0.00 54.91 55.12 3bdm h ALA 56 Cb 0.39 0.16 -0.05 0.00 0.00 0.00 0.00 17.79 18.28 3bdm h ALA 56 CO 0.01 -0.73 0.53 -0.44 0.00 0.00 0.00 179.25 178.61 3bdm h ASP 57 N -0.42 0.38 -0.07 0.00 3.45 -0.83 -0.33 116.42 118.60 3bdm h ASP 57 Ca -0.04 0.03 -0.17 0.00 0.43 0.00 0.00 57.03 57.28 3bdm h ASP 57 Cb 0.32 -0.05 0.01 0.00 -0.56 0.00 0.00 39.33 39.05 3bdm h ASP 57 CO 0.07 0.19 -0.60 0.40 -1.57 0.00 0.00 179.24 177.72 3bdm h ILE 58 N 0.40 1.36 -0.70 0.35 1.08 -0.93 -2.63 117.51 116.44 3bdm h ILE 58 Ca 0.39 -1.94 -0.03 0.00 -0.39 0.00 0.00 64.86 62.89 3bdm h ILE 58 Cb 0.94 2.29 -0.03 0.00 -3.07 0.00 0.00 36.82 36.94 3bdm h ILE 58 CO -0.13 0.58 0.32 0.58 -0.69 0.00 0.00 178.15 178.81 3bdm h VAL 59 N 0.13 1.23 -0.60 1.67 2.07 0.02 -1.19 116.25 119.59 3bdm h VAL 59 Ca -0.05 -0.67 -0.03 0.00 0.82 0.00 0.00 66.70 66.77 3bdm h VAL 59 Cb 1.26 0.35 -0.03 0.00 -1.52 0.00 0.00 31.29 31.36 3bdm h VAL 59 CO 0.12 0.28 0.26 -0.61 0.02 0.00 0.00 177.57 177.64 3bdm h GLN 60 N 1.00 0.88 0.11 1.57 4.15 -1.12 0.16 115.11 121.86 3bdm h GLN 60 Ca 0.24 -0.15 -0.01 0.00 0.77 0.00 0.00 58.65 59.51 3bdm h GLN 60 Cb 0.13 -0.15 0.00 0.00 0.21 0.00 0.00 27.48 27.67 3bdm h GLN 60 CO -0.03 0.73 -0.05 -0.92 -1.93 0.00 0.00 178.83 176.64 3bdm h TYR 61 N 0.82 -0.13 -0.89 3.99 3.20 -1.02 -0.98 116.97 121.96 3bdm h TYR 61 Ca 0.20 -0.00 0.06 0.00 3.14 0.00 0.00 58.73 62.13 3bdm h TYR 61 Cb 0.17 0.04 -0.06 0.00 1.54 0.00 0.00 36.73 38.42 3bdm h TYR 61 CO 0.01 -0.07 0.56 0.45 -1.64 0.00 0.00 178.16 177.46 3bdm h HIS 62 N -0.15 1.03 -0.02 -3.82 3.86 -0.90 -1.66 115.15 113.50 3bdm h HIS 62 Ca -0.01 0.03 -0.14 0.00 -1.16 0.00 0.00 60.37 59.08 3bdm h HIS 62 Cb 0.12 -0.34 -0.02 0.00 1.06 0.00 0.00 27.41 28.24 3bdm h HIS 62 CO -0.07 0.53 -0.65 -0.07 0.86 0.00 0.00 177.93 178.53 3bdm h LEU 63 N 1.02 0.10 -0.69 2.43 3.38 -0.82 0.13 115.31 120.87 3bdm h LEU 63 Ca 0.38 -0.06 -0.09 0.00 0.09 0.00 0.00 57.88 58.20 3bdm h LEU 63 Cb 0.15 -0.03 -0.02 0.00 0.09 0.00 0.00 40.66 40.85 3bdm h LEU 63 CO -0.17 0.72 0.04 -0.08 0.09 0.00 0.00 178.44 179.05 3bdm h GLU 64 N 0.06 1.06 -0.12 1.13 4.81 -0.60 -1.13 114.58 119.79 3bdm h GLU 64 Ca -0.01 -0.31 -0.21 0.00 -0.13 0.00 0.00 59.36 58.70 3bdm h GLU 64 Cb 1.16 -0.11 0.00 0.00 0.63 0.00 0.00 28.75 30.44 3bdm h GLU 64 CO 0.09 1.01 -0.76 1.25 -0.73 0.00 0.00 179.01 179.86 3bdm h LEU 65 N 0.97 0.73 -0.46 1.64 5.85 -1.13 -2.77 115.31 120.14 3bdm h LEU 65 Ca 0.18 -0.48 0.05 0.00 0.84 0.00 0.00 57.88 58.47 3bdm h LEU 65 Cb 0.51 -0.22 -0.05 0.00 0.37 0.00 0.00 40.66 41.27 3bdm h LEU 65 CO 0.02 1.26 0.18 0.22 -0.34 0.00 0.00 178.44 179.78 3bdm h TYR 66 N 0.42 0.33 0.23 1.25 3.20 -0.42 -2.77 116.97 119.21 3bdm h TYR 66 Ca -0.04 0.02 -0.01 0.00 3.14 0.00 0.00 58.73 61.84 3bdm h TYR 66 Cb 1.37 -0.08 -0.00 0.00 1.54 0.00 0.00 36.73 39.56 3bdm h TYR 66 CO 0.07 0.13 -0.16 1.15 -1.64 0.00 0.00 178.16 177.71 3bdm h THR 67 N 0.37 0.00 -0.66 1.81 2.02 -1.17 0.25 112.91 115.53 3bdm h THR 67 Ca 0.21 0.00 0.23 0.00 0.77 0.00 0.00 66.41 67.62 3bdm h THR 67 Cb 0.18 0.00 -0.12 0.00 -1.74 0.00 0.00 68.15 66.47 3bdm h THR 67 CO -0.19 0.00 0.20 -1.20 0.37 0.00 0.00 175.52 174.69 3bdm n SER 68 N -3.23 0.09 -0.06 4.18 7.64 -1.05 0.26 113.62 121.44 3bdm n SER 68 Ca -0.05 1.10 -0.22 0.00 1.01 0.00 0.00 58.87 60.72 3bdm n SER 68 Cb 0.16 -0.48 -0.12 0.00 -1.01 0.00 0.00 64.21 62.76 3bdm n SER 68 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 3bdm n GLN 69 N -4.66 0.64 -0.04 1.43 6.02 -1.06 -4.67 117.38 115.04 3bdm n GLN 69 Ca 0.21 0.45 0.03 0.00 -0.01 0.00 0.00 57.00 57.68 3bdm n GLN 69 Cb 0.69 -1.73 0.06 0.00 1.02 0.00 0.00 30.24 30.28 3bdm n GLN 69 CO 0.00 0.00 0.00 0.66 -1.01 0.00 0.00 177.06 176.71 3bdm n TYR 70 N -4.07 0.06 -3.36 1.08 4.02 0.86 -5.12 117.16 110.63 3bdm n TYR 70 Ca -0.32 -0.64 0.00 0.00 -0.01 0.00 0.00 57.90 56.92 3bdm n TYR 70 Cb 0.83 -0.08 0.00 0.00 -0.02 0.00 0.00 39.34 40.06 3bdm n TYR 70 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 3bdm n GLY 72 N -0.68 -1.74 3.71 2.72 0.00 0.14 -4.90 105.19 104.45 3bdm n GLY 72 Ca 0.06 -1.46 -0.42 0.00 0.00 0.00 0.00 46.02 44.20 3bdm n GLY 72 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3bdm s THR 73 N 0.00 2.39 0.41 2.61 2.01 -1.26 -3.52 115.64 118.27 3bdm s THR 73 Ca 0.00 0.17 -0.12 0.00 0.31 0.00 0.00 61.69 62.05 3bdm s THR 73 Cb 0.00 -3.11 -0.07 0.00 0.01 0.00 0.00 72.50 69.33 3bdm s THR 73 CO 0.00 0.01 0.80 -2.16 -0.69 0.00 0.00 174.62 172.58 3bdm s PRO 74 N 1.70 3.85 0.67 4.92 0.04 -1.26 -5.03 135.00 139.88 3bdm s PRO 74 Ca 0.75 0.59 -0.08 0.00 0.04 0.00 0.00 61.00 62.30 3bdm s PRO 74 Cb -0.46 -2.35 0.03 0.00 0.04 0.00 0.00 34.50 31.75 3bdm s PRO 74 CO 0.33 -0.04 1.01 -1.54 0.04 0.00 0.00 177.00 176.79 3bdm s SER 75 N -2.99 5.26 0.18 6.66 1.04 -1.26 -4.95 113.70 117.64 3bdm s SER 75 Ca 0.53 0.77 -0.08 0.00 0.48 0.00 0.00 55.95 57.65 3bdm s SER 75 Cb -0.10 -1.58 0.07 0.00 0.10 0.00 0.00 66.02 64.52 3bdm s SER 75 CO 0.29 -1.35 1.58 0.74 0.98 0.00 0.00 173.24 175.48 3bdm h THR 76 N -0.49 1.27 -0.86 2.02 2.02 -1.94 -2.42 112.91 112.51 3bdm h THR 76 Ca -0.45 -1.35 0.08 0.00 0.77 0.00 0.00 66.41 65.45 3bdm h THR 76 Cb 1.28 1.13 -0.06 0.00 -1.74 0.00 0.00 68.15 68.76 3bdm h THR 76 CO 0.62 0.46 0.56 -0.08 0.37 0.00 0.00 175.52 177.45 3bdm h GLU 77 N 0.81 0.90 -0.13 6.66 4.81 -1.98 -0.87 114.58 124.76 3bdm h GLU 77 Ca 0.11 -0.05 -0.02 0.00 -0.13 0.00 0.00 59.36 59.26 3bdm h GLU 77 Cb 0.76 -0.20 -0.00 0.00 0.63 0.00 0.00 28.75 29.93 3bdm h GLU 77 CO 0.06 0.59 -0.01 1.15 -0.73 0.00 0.00 179.01 180.07 3bdm h THR 78 N 0.92 1.27 -0.43 0.32 2.02 -1.83 -1.16 112.91 114.02 3bdm h THR 78 Ca 0.38 -0.88 0.03 0.00 0.77 0.00 0.00 66.41 66.72 3bdm h THR 78 Cb 0.28 1.58 -0.02 0.00 -1.74 0.00 0.00 68.15 68.25 3bdm h THR 78 CO -0.15 0.26 0.29 0.00 0.37 0.00 0.00 175.52 176.29 3bdm h ALA 79 N 0.74 1.84 -0.50 6.16 0.00 -0.95 0.11 119.26 126.65 3bdm h ALA 79 Ca 0.04 -0.02 -0.13 0.00 0.00 0.00 0.00 54.91 54.80 3bdm h ALA 79 Cb 0.40 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 18.05 3bdm h ALA 79 CO 0.01 0.11 -0.20 0.00 0.00 0.00 0.00 179.25 179.17 3bdm h ALA 80 N 1.75 0.70 -0.43 0.00 0.00 -0.86 -2.75 119.26 117.67 3bdm h ALA 80 Ca 0.18 -0.39 0.00 0.00 0.00 0.00 0.00 54.91 54.70 3bdm h ALA 80 Cb 0.14 -0.17 -0.02 0.00 0.00 0.00 0.00 17.79 17.74 3bdm h ALA 80 CO -0.04 0.68 0.28 1.03 0.00 0.00 0.00 179.25 181.20 3bdm h SER 81 N 0.87 0.50 -0.54 0.00 0.87 0.44 0.11 113.55 115.80 3bdm h SER 81 Ca 0.12 -0.02 -0.05 0.00 -1.23 0.00 0.00 61.79 60.61 3bdm h SER 81 Cb 0.78 -0.13 -0.03 0.00 -0.44 0.00 0.00 62.40 62.59 3bdm h SER 81 CO 0.07 0.37 0.16 0.58 -0.53 0.00 0.00 176.83 177.47 3bdm h VAL 82 N 0.59 1.23 0.29 2.23 2.07 -1.23 0.24 116.25 121.67 3bdm h VAL 82 Ca 0.16 -0.82 -0.01 0.00 0.82 0.00 0.00 66.70 66.84 3bdm h VAL 82 Cb -0.06 0.62 0.00 0.00 -1.52 0.00 0.00 31.29 30.33 3bdm h VAL 82 CO -0.03 0.31 -0.14 -0.26 0.02 0.00 0.00 177.57 177.47 3bdm h PHE 83 N 0.86 -0.37 -0.86 1.57 0.04 -1.15 -1.88 116.94 115.15 3bdm h PHE 83 Ca 0.19 -0.01 0.11 0.00 2.80 0.00 0.00 57.97 61.07 3bdm h PHE 83 Cb 0.29 0.12 -0.06 0.00 2.20 0.00 0.00 35.95 38.49 3bdm h PHE 83 CO 0.02 -0.08 0.56 -0.22 -0.60 0.00 0.00 178.31 177.98 3bdm h LYS 84 N -0.63 0.75 0.02 1.51 3.11 -0.50 0.49 116.57 121.32 3bdm h LYS 84 Ca -0.04 -0.04 -0.00 0.00 -2.81 0.00 0.00 60.65 57.75 3bdm h LYS 84 Cb 0.45 -0.17 0.00 0.00 -1.00 0.00 0.00 32.23 31.51 3bdm h LYS 84 CO 0.07 0.49 -0.01 1.49 -2.81 0.00 0.00 179.45 178.68 3bdm h GLU 85 N 0.77 -0.03 -0.38 1.90 4.57 -0.32 -0.44 114.58 120.65 3bdm h GLU 85 Ca 0.41 0.00 -0.00 0.00 -1.18 0.00 0.00 59.36 58.59 3bdm h GLU 85 Cb 0.53 0.01 -0.02 0.00 -0.16 0.00 0.00 28.75 29.11 3bdm h GLU 85 CO -0.18 0.22 0.22 -0.07 -1.18 0.00 0.00 179.01 178.03 3bdm h LEU 86 N -0.27 0.46 -0.72 1.64 3.38 -0.63 -1.84 115.31 117.33 3bdm h LEU 86 Ca -0.00 -0.06 -0.07 0.00 0.09 0.00 0.00 57.88 57.84 3bdm h LEU 86 Cb 0.26 -0.12 -0.03 0.00 0.09 0.00 0.00 40.66 40.86 3bdm h LEU 86 CO 0.00 0.38 0.18 0.00 0.09 0.00 0.00 178.44 179.09 3bdm h TYR 88 N 1.09 0.35 0.00 0.00 5.03 -1.04 -2.36 116.97 120.04 3bdm h TYR 88 Ca 0.23 -0.19 -0.01 0.00 2.58 0.00 0.00 58.73 61.33 3bdm h TYR 88 Cb 0.37 -0.04 -0.00 0.00 1.55 0.00 0.00 36.73 38.61 3bdm h TYR 88 CO 0.03 0.99 -0.07 1.49 -1.32 0.00 0.00 178.16 179.29 3bdm h GLU 89 N -0.40 0.00 -0.02 1.82 4.57 -1.37 -2.71 114.58 116.48 3bdm h GLU 89 Ca -0.04 0.00 -0.01 0.00 -1.18 0.00 0.00 59.36 58.13 3bdm h GLU 89 Cb 1.09 0.00 -0.00 0.00 -0.16 0.00 0.00 28.75 29.67 3bdm h GLU 89 CO 0.07 0.07 -0.15 0.09 -1.18 0.00 0.00 179.01 177.90 3bdm n ASN 90 N -3.76 2.23 -0.39 1.04 3.02 -0.93 -4.83 115.26 111.64 3bdm n ASN 90 Ca -0.02 -3.36 0.31 0.00 -0.03 0.00 0.00 54.58 51.48 3bdm n ASN 90 Cb 0.17 -0.47 0.60 0.00 -0.61 0.00 0.00 39.78 39.47 3bdm n ASN 90 CO 0.00 0.00 0.00 0.07 -2.62 0.00 0.00 177.26 174.71 3bdm h LYS 91 N 0.42 0.20 0.00 3.52 2.10 -1.08 -0.20 116.57 121.53 3bdm h LYS 91 Ca 0.01 -0.01 0.00 0.00 -2.00 0.00 0.00 60.65 58.64 3bdm h LYS 91 Cb 1.04 -0.05 0.00 0.00 -0.90 0.00 0.00 32.23 32.33 3bdm h LYS 91 CO 0.02 0.13 0.00 -0.25 -2.00 0.00 0.00 179.45 177.36 3bdm n ASP 92 N -4.60 0.00 -0.51 7.07 10.43 -1.26 -3.29 116.55 124.39 3bdm n ASP 92 Ca 0.31 -0.04 0.03 0.00 2.57 0.00 0.00 54.79 57.66 3bdm n ASP 92 Cb 1.19 -0.28 0.04 0.00 1.84 0.00 0.00 41.12 43.91 3bdm n ASP 92 CO 0.00 0.00 0.00 0.59 -1.07 0.00 0.00 177.20 176.72 3bdm n ASN 94 N -1.28 0.74 -4.04 -2.24 3.02 -0.10 -5.07 115.26 106.30 3bdm n ASN 94 Ca 0.10 -2.34 -0.17 0.00 -0.03 0.00 0.00 54.58 52.15 3bdm n ASN 94 Cb 0.17 -0.28 -0.13 0.00 -0.61 0.00 0.00 39.78 38.93 3bdm n ASN 94 CO 0.00 0.00 0.00 -0.76 -2.62 0.00 0.00 177.26 173.88 3bdm s LEU 95 N -0.83 2.11 -0.49 3.41 1.43 -1.13 -5.05 118.68 118.13 3bdm s LEU 95 Ca 0.13 -0.30 0.03 0.00 -1.03 0.00 0.00 54.13 52.96 3bdm s LEU 95 Cb 0.12 -0.36 0.16 0.00 0.03 0.00 0.00 46.19 46.14 3bdm s LEU 95 CO -0.01 0.00 0.35 -0.89 0.23 0.00 0.00 176.35 176.02 3bdm s THR 96 N -0.62 1.19 -0.02 5.49 2.01 -1.26 -4.89 115.64 117.54 3bdm s THR 96 Ca -0.01 -2.96 -0.00 0.00 0.31 0.00 0.00 61.69 59.03 3bdm s THR 96 Cb -0.06 -1.81 0.03 0.00 0.01 0.00 0.00 72.50 70.67 3bdm s THR 96 CO 0.00 -1.08 0.03 0.00 -0.69 0.00 0.00 174.62 172.88 3bdm s ALA 97 N -0.17 0.09 -0.25 7.40 0.00 -1.26 0.10 121.76 127.67 3bdm s ALA 97 Ca 0.26 0.30 -0.01 0.00 0.00 0.00 0.00 51.96 52.52 3bdm s ALA 97 Cb -0.07 -0.26 0.03 0.00 0.00 0.00 0.00 23.12 22.82 3bdm s ALA 97 CO -0.13 -0.12 -0.07 0.20 0.00 0.00 0.00 175.76 175.64 3bdm s GLY 98 N 1.11 1.63 -0.06 0.00 0.00 0.08 -4.25 107.32 105.84 3bdm s GLY 98 Ca -0.09 -1.53 0.05 0.00 0.00 0.00 0.00 44.72 43.15 3bdm s GLY 98 CO -0.03 0.54 -0.22 -0.42 0.00 0.00 0.00 173.10 172.96 3bdm s ILE 99 N 1.27 2.30 -0.20 0.90 -1.09 -0.24 -1.57 121.20 122.56 3bdm s ILE 99 Ca -0.02 -0.98 -0.04 0.00 -2.23 0.00 0.00 60.65 57.38 3bdm s ILE 99 Cb -0.17 -1.85 -0.01 0.00 -1.58 0.00 0.00 42.46 38.84 3bdm s ILE 99 CO -0.05 0.57 -0.04 -0.63 -1.23 0.00 0.00 174.94 173.56 3bdm s ILE 100 N -0.22 3.51 -0.20 2.92 1.01 -0.76 0.45 121.20 127.90 3bdm s ILE 100 Ca -0.01 -0.46 -0.05 0.00 0.00 0.00 0.00 60.65 60.13 3bdm s ILE 100 Cb -0.13 -2.58 -0.02 0.00 0.01 0.00 0.00 42.46 39.73 3bdm s ILE 100 CO 0.03 0.43 0.00 -0.69 0.00 0.00 0.00 174.94 174.72 3bdm s VAL 101 N 1.22 3.94 -0.02 2.92 1.01 0.43 -0.44 120.40 129.45 3bdm s VAL 101 Ca 0.03 -0.32 0.03 0.00 0.00 0.00 0.00 61.98 61.72 3bdm s VAL 101 Cb -0.14 -2.79 0.00 0.00 0.00 0.00 0.00 36.38 33.45 3bdm s VAL 101 CO -0.01 0.42 -0.10 0.00 0.00 0.00 0.00 175.10 175.41 3bdm s ALA 102 N 1.07 0.94 0.08 5.51 0.00 -0.53 0.72 121.76 129.54 3bdm s ALA 102 Ca 0.02 -0.39 -0.11 0.00 0.00 0.00 0.00 51.96 51.48 3bdm s ALA 102 Cb -0.14 -0.32 0.01 0.00 0.00 0.00 0.00 23.12 22.66 3bdm s ALA 102 CO 0.02 0.17 0.24 0.20 0.00 0.00 0.00 175.76 176.39 3bdm s GLY 103 N 0.09 -0.01 -0.18 0.00 0.00 -0.77 -0.25 107.32 106.21 3bdm s GLY 103 Ca -0.02 -0.38 -0.03 0.00 0.00 0.00 0.00 44.72 44.29 3bdm s GLY 103 CO 0.00 -0.58 -0.05 -0.47 0.00 0.00 0.00 173.10 172.00 3bdm s TYR 104 N -3.45 2.95 0.27 1.90 6.14 0.11 -2.01 117.35 123.26 3bdm s TYR 104 Ca 0.02 -0.62 0.11 0.00 0.64 0.00 0.00 57.07 57.21 3bdm s TYR 104 Cb 0.03 -2.00 -0.05 0.00 0.42 0.00 0.00 41.96 40.36 3bdm s TYR 104 CO -0.09 -0.29 -0.09 0.34 0.64 0.00 0.00 175.55 176.07 3bdm s ASP 105 N 0.85 4.13 0.07 4.32 2.15 0.91 -4.83 116.67 124.26 3bdm s ASP 105 Ca -0.01 -0.81 0.15 0.00 0.43 0.00 0.00 52.55 52.30 3bdm s ASP 105 Cb -0.15 -0.61 -0.14 0.00 -0.30 0.00 0.00 42.92 41.73 3bdm s ASP 105 CO 0.01 0.02 0.88 -0.78 -0.17 0.00 0.00 175.17 175.13 3bdm h ASP 10 N 2.05 0.00 0.14 -0.34 3.58 -1.99 -1.69 116.42 118.17 3bdm h ASP 10 Ca -0.42 0.00 -0.36 0.00 0.42 0.00 0.00 57.03 56.67 3bdm h ASP 10 Cb 1.25 0.00 -0.04 0.00 1.72 0.00 0.00 39.33 42.27 3bdm h ASP 10 CO 0.60 0.67 -2.08 1.17 -2.88 0.00 0.00 179.24 176.72 3bdm n LYS 10 N -2.98 0.72 0.00 0.28 0.00 -1.26 -4.37 118.16 110.55 3bdm n LYS 10 Ca -0.09 0.23 0.10 0.00 0.00 0.00 0.00 58.31 58.55 3bdm n LYS 10 Cb 0.87 -1.67 -0.05 0.00 0.00 0.00 0.00 35.03 34.18 3bdm n LYS 10 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.40 177.49 3bdm n ASN 106 N -3.33 0.95 0.00 3.14 3.02 -1.26 -5.04 115.26 112.74 3bdm n ASN 106 Ca -0.33 -0.89 0.00 0.00 -0.03 0.00 0.00 54.58 53.33 3bdm n ASN 106 Cb 1.04 0.85 0.00 0.00 -0.61 0.00 0.00 39.78 41.07 3bdm n ASN 106 CO 0.00 0.00 0.00 1.17 -2.62 0.00 0.00 177.26 175.81 3bdm n LYS 107 N -1.45 0.00 -4.54 3.52 4.81 -0.64 -4.66 118.16 115.20 3bdm n LYS 107 Ca 0.04 0.00 -0.34 0.00 -0.87 0.00 0.00 58.31 57.14 3bdm n LYS 107 Cb 0.34 0.00 -0.11 0.00 0.02 0.00 0.00 35.03 35.28 3bdm n LYS 107 CO 0.00 0.00 0.00 0.20 1.17 0.00 0.00 177.40 178.77 3bdm s GLY 108 N 0.00 1.73 0.01 3.14 0.00 -1.25 -0.06 107.32 110.88 3bdm s GLY 108 Ca 0.00 -0.86 0.01 0.00 0.00 0.00 0.00 44.72 43.87 3bdm s GLY 108 CO 0.00 -0.56 -0.03 -0.54 0.00 0.00 0.00 173.10 171.98 3bdm s GLU 109 N -0.65 0.23 -0.06 2.90 2.02 -0.85 -4.94 118.70 117.35 3bdm s GLU 109 Ca 0.10 -0.23 0.01 0.00 0.02 0.00 0.00 54.97 54.88 3bdm s GLU 109 Cb -0.12 -0.14 0.02 0.00 0.10 0.00 0.00 34.13 33.99 3bdm s GLU 109 CO 0.02 0.03 -0.08 0.08 0.02 0.00 0.00 175.26 175.33 3bdm s VAL 110 N -0.40 0.80 -0.05 2.63 1.01 -1.25 -1.84 120.40 121.31 3bdm s VAL 110 Ca -0.03 -0.27 0.05 0.00 0.00 0.00 0.00 61.98 61.73 3bdm s VAL 110 Cb -0.03 -0.79 -0.00 0.00 0.00 0.00 0.00 36.38 35.56 3bdm s VAL 110 CO -0.00 0.29 -0.19 -0.31 0.00 0.00 0.00 175.10 174.89 3bdm s TYR 111 N 0.91 1.84 -0.08 5.22 1.51 0.22 -1.21 117.35 125.77 3bdm s TYR 111 Ca -0.11 -0.53 0.04 0.00 -1.01 0.00 0.00 57.07 55.46 3bdm s TYR 111 Cb -0.15 -1.23 -0.01 0.00 -0.11 0.00 0.00 41.96 40.46 3bdm s TYR 111 CO 0.01 -0.17 -0.20 -0.08 -1.11 0.00 0.00 175.55 174.00 3bdm s THR 112 N -0.01 2.52 -0.35 -0.71 -1.32 0.24 0.16 115.64 116.17 3bdm s THR 112 Ca -0.04 -0.89 0.03 0.00 -1.21 0.00 0.00 61.69 59.59 3bdm s THR 112 Cb -0.12 -1.98 0.10 0.00 -1.51 0.00 0.00 72.50 69.00 3bdm s THR 112 CO 0.02 0.56 0.07 -0.63 -2.21 0.00 0.00 174.62 172.43 3bdm s ILE 113 N -0.07 2.36 0.99 5.08 1.01 0.17 -0.81 121.20 129.93 3bdm s ILE 113 Ca -0.05 -2.35 -0.15 0.00 0.00 0.00 0.00 60.65 58.10 3bdm s ILE 113 Cb -0.14 -2.73 0.19 0.00 0.01 0.00 0.00 42.46 39.78 3bdm s ILE 113 CO 0.04 -0.61 1.21 -2.16 0.00 0.00 0.00 174.94 173.42 3bdm s PRO 114 N 0.89 0.48 0.36 2.79 0.04 -1.24 -1.08 135.00 137.24 3bdm s PRO 114 Ca 0.11 -0.08 0.15 0.00 0.04 0.00 0.00 61.00 61.22 3bdm s PRO 114 Cb -0.19 -1.80 1.04 0.00 0.04 0.00 0.00 34.50 33.59 3bdm s PRO 114 CO -0.08 -2.57 1.73 -0.07 0.04 0.00 0.00 177.00 176.05 3bdm h LEU 115 N -1.76 0.53 -1.73 -3.56 4.07 -1.94 -1.26 115.31 109.65 3bdm h LEU 115 Ca -0.46 0.12 -0.02 0.00 0.08 0.00 0.00 57.88 57.60 3bdm h LEU 115 Cb 1.29 0.04 -0.01 0.00 1.08 0.00 0.00 40.66 43.06 3bdm h LEU 115 CO 0.47 0.05 -0.05 1.23 -1.08 0.00 0.00 178.44 179.06 3bdm h GLY 116 N 0.43 0.12 0.00 0.83 0.00 -1.92 -3.46 103.07 99.07 3bdm h GLY 116 Ca 0.65 -0.06 0.00 0.00 0.00 0.00 0.00 47.33 47.92 3bdm h GLY 116 CO -0.41 0.05 0.00 0.61 0.00 0.00 0.00 176.54 176.79 3bdm n GLY 117 N -1.25 1.19 3.90 4.60 0.00 -0.48 -4.61 105.19 108.54 3bdm n GLY 117 Ca -0.02 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.72 3bdm n GLY 117 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3bdm s SER 118 N -2.00 5.58 -0.03 1.61 1.04 -1.26 -4.33 113.70 114.32 3bdm s SER 118 Ca 0.00 0.93 0.07 0.00 0.48 0.00 0.00 55.95 57.43 3bdm s SER 118 Cb 0.00 -1.86 -0.02 0.00 0.10 0.00 0.00 66.02 64.25 3bdm s SER 118 CO 0.00 -1.15 -0.25 -0.69 0.98 0.00 0.00 173.24 172.13 3bdm s VAL 119 N -3.15 1.99 -0.05 5.02 1.01 -1.26 -3.71 120.40 120.25 3bdm s VAL 119 Ca 0.55 -1.06 -0.00 0.00 0.00 0.00 0.00 61.98 61.47 3bdm s VAL 119 Cb -0.11 -1.66 0.03 0.00 0.00 0.00 0.00 36.38 34.63 3bdm s VAL 119 CO 0.48 0.56 -0.01 -1.00 0.00 0.00 0.00 175.10 175.14 3bdm s HIS 120 N -0.45 0.56 -0.21 5.22 3.76 0.01 -4.96 115.29 119.22 3bdm s HIS 120 Ca 0.05 -0.11 -0.12 0.00 -0.15 0.00 0.00 55.06 54.74 3bdm s HIS 120 Cb -0.11 -0.66 -0.05 0.00 1.11 0.00 0.00 32.58 32.88 3bdm s HIS 120 CO 0.01 -0.24 0.21 0.21 -0.85 0.00 0.00 174.74 174.07 3bdm s LYS 121 N 1.51 4.14 0.21 1.40 2.20 -1.26 0.82 119.74 128.77 3bdm s LYS 121 Ca -0.02 -0.13 -0.09 0.00 -0.36 0.00 0.00 55.97 55.37 3bdm s LYS 121 Cb -0.13 -3.49 -0.01 0.00 -1.51 0.00 0.00 37.83 32.68 3bdm s LYS 121 CO -0.03 0.13 0.34 -0.51 -0.36 0.00 0.00 175.35 174.92 3bdm s LEU 122 N 0.83 0.71 0.34 5.43 1.43 -0.35 -5.01 118.68 122.07 3bdm s LEU 122 Ca 0.11 -1.02 0.06 0.00 -1.03 0.00 0.00 54.13 52.25 3bdm s LEU 122 Cb -0.13 1.26 0.63 0.00 0.03 0.00 0.00 46.19 47.98 3bdm s LEU 122 CO 0.03 -0.99 1.84 -0.65 0.23 0.00 0.00 176.35 176.81 3bdm h PRO 123 N 2.43 0.36 -2.60 1.29 0.11 -1.95 -3.33 132.00 128.31 3bdm h PRO 123 Ca -0.30 -0.10 0.05 0.00 0.11 0.00 0.00 66.00 65.76 3bdm h PRO 123 Cb 1.24 -0.04 -0.14 0.00 0.11 0.00 0.00 31.00 32.18 3bdm h PRO 123 CO 0.43 0.51 0.37 1.52 -0.21 0.00 0.00 178.00 180.63 3bdm s TYR 124 N -4.68 -0.43 -0.19 0.65 -0.85 -1.26 -1.45 117.35 109.15 3bdm s TYR 124 Ca -0.06 0.26 -0.16 0.00 -0.52 0.00 0.00 57.07 56.59 3bdm s TYR 124 Cb 0.15 0.55 0.05 0.00 0.38 0.00 0.00 41.96 43.09 3bdm s TYR 124 CO 0.76 -0.68 0.49 0.00 -1.52 0.00 0.00 175.55 174.60 3bdm s ALA 125 N -3.40 -1.23 0.19 9.51 0.00 -0.37 -4.99 121.76 121.48 3bdm s ALA 125 Ca 0.03 1.45 0.09 0.00 0.00 0.00 0.00 51.96 53.53 3bdm s ALA 125 Cb -0.01 -0.85 -0.04 0.00 0.00 0.00 0.00 23.12 22.22 3bdm s ALA 125 CO -0.11 -0.24 -0.07 0.96 0.00 0.00 0.00 175.76 176.30 3bdm s ILE 126 N 0.44 3.27 0.13 0.00 -0.00 -1.26 -1.42 121.20 122.37 3bdm s ILE 126 Ca -0.01 -1.68 -0.25 0.00 -0.00 0.00 0.00 60.65 58.70 3bdm s ILE 126 Cb -0.04 -2.65 0.07 0.00 -0.00 0.00 0.00 42.46 39.84 3bdm s ILE 126 CO -0.02 -0.16 0.78 0.00 -0.00 0.00 0.00 174.94 175.55 3bdm s ALA 127 N -1.82 -1.60 0.00 2.27 0.00 0.89 -4.96 121.76 116.54 3bdm s ALA 127 Ca 0.26 0.42 0.00 0.00 0.00 0.00 0.00 51.96 52.64 3bdm s ALA 127 Cb -0.08 0.69 0.00 0.00 0.00 0.00 0.00 23.12 23.73 3bdm s ALA 127 CO 0.16 -0.85 0.00 0.41 0.00 0.00 0.00 175.76 175.48 3bdm n GLY 128 N -0.37 1.94 0.19 0.00 0.00 -1.26 -0.92 105.19 104.77 3bdm n GLY 128 Ca -0.10 -2.01 -0.03 0.00 0.00 0.00 0.00 46.02 43.89 3bdm n GLY 128 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 3bdm h SER 129 N 0.00 -0.09 0.56 1.61 4.64 -1.28 -1.28 113.55 117.72 3bdm h SER 129 Ca 0.00 0.10 0.00 0.00 -0.47 0.00 0.00 61.79 61.42 3bdm h SER 129 Cb 0.00 0.15 0.00 0.00 -0.31 0.00 0.00 62.40 62.24 3bdm h SER 129 CO 0.00 -0.01 0.00 0.61 -0.87 0.00 0.00 176.83 176.56 3bdm n GLY 130 N -1.29 -1.07 0.25 -0.77 0.00 -0.85 -3.38 105.19 98.09 3bdm n GLY 130 Ca 0.05 -0.03 0.09 0.00 0.00 0.00 0.00 46.02 46.12 3bdm n GLY 130 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 3bdm h SER 131 N 0.00 0.00 0.13 1.61 4.64 -1.42 -2.88 113.55 115.63 3bdm h SER 131 Ca 0.00 0.00 -0.05 0.00 -0.47 0.00 0.00 61.79 61.27 3bdm h SER 131 Cb 0.28 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.36 3bdm h SER 131 CO 0.00 0.14 -0.19 0.71 -0.87 0.00 0.00 176.83 176.62 3bdm h THR 132 N 0.00 1.18 0.00 2.95 1.35 -1.72 -2.75 112.91 113.91 3bdm h THR 132 Ca -0.00 -0.80 0.00 0.00 -0.55 0.00 0.00 66.41 65.05 3bdm h THR 132 Cb 0.29 1.33 0.00 0.00 -1.73 0.00 0.00 68.15 68.04 3bdm h THR 132 CO 0.02 0.24 0.00 -0.26 -0.25 0.00 0.00 175.52 175.27 3bdm h PHE 133 N 0.12 0.00 -0.10 4.73 0.04 -1.77 -3.23 116.94 116.73 3bdm h PHE 133 Ca 0.02 0.00 -0.03 0.00 2.80 0.00 0.00 57.97 60.76 3bdm h PHE 133 Cb 0.40 0.00 -0.02 0.00 2.20 0.00 0.00 35.95 38.53 3bdm h PHE 133 CO 0.00 0.00 -0.19 0.44 -0.60 0.00 0.00 178.31 177.97 3bdm n ILE 134 N -2.43 2.17 -0.01 -0.55 -6.64 -1.04 -4.69 119.36 106.18 3bdm n ILE 134 Ca 0.04 -2.65 -0.13 0.00 -1.77 0.00 0.00 62.75 58.24 3bdm n ILE 134 Cb 0.36 -0.26 -0.09 0.00 -1.44 0.00 0.00 39.64 38.21 3bdm n ILE 134 CO 0.00 0.00 0.00 1.88 -1.77 0.00 0.00 176.55 176.66 3bdm h TYR 135 N 0.75 0.06 -0.58 4.28 0.05 -1.57 -1.92 116.97 118.04 3bdm h TYR 135 Ca 0.04 -0.01 -0.07 0.00 0.05 0.00 0.00 58.73 58.74 3bdm h TYR 135 Cb 1.18 -0.01 -0.02 0.00 1.01 0.00 0.00 36.73 38.88 3bdm h TYR 135 CO 0.51 0.42 0.07 0.78 -1.05 0.00 0.00 178.16 178.90 3bdm h GLY 136 N -0.33 1.02 0.77 3.88 0.00 -1.85 -2.11 103.07 104.46 3bdm h GLY 136 Ca 0.01 -0.66 -0.02 0.00 0.00 0.00 0.00 47.33 46.66 3bdm h GLY 136 CO 0.00 0.61 -0.20 -1.82 0.00 0.00 0.00 176.54 175.13 3bdm h TYR 137 N 0.89 -0.52 -0.88 5.60 3.20 -1.84 -2.48 116.97 120.92 3bdm h TYR 137 Ca 0.18 -0.01 0.03 0.00 3.14 0.00 0.00 58.73 62.07 3bdm h TYR 137 Cb 0.42 0.17 -0.05 0.00 1.54 0.00 0.00 36.73 38.81 3bdm h TYR 137 CO 0.03 -0.22 0.57 0.00 -1.64 0.00 0.00 178.16 176.90 3bdm h ASP 139 N 1.11 0.30 1.01 0.00 1.82 -1.38 -0.05 116.42 119.23 3bdm h ASP 139 Ca 0.35 -0.04 0.00 0.00 -0.39 0.00 0.00 57.03 56.95 3bdm h ASP 139 Cb 0.00 -0.08 0.00 0.00 0.68 0.00 0.00 39.33 39.94 3bdm h ASP 139 CO -0.12 0.37 -0.46 0.29 -1.61 0.00 0.00 179.24 177.71 3bdm n LYS 140 N -4.34 0.28 -0.01 0.28 4.76 -0.50 -4.34 118.16 114.30 3bdm n LYS 140 Ca 0.00 0.12 0.03 0.00 -2.87 0.00 0.00 58.31 55.59 3bdm n LYS 140 Cb 0.21 -1.71 -0.06 0.00 -1.84 0.00 0.00 35.03 31.63 3bdm n LYS 140 CO 0.00 0.00 0.00 0.09 -1.37 0.00 0.00 177.40 176.12 3bdm n ASN 141 N -2.13 3.27 -4.77 4.39 4.13 -0.30 -5.02 115.26 114.83 3bdm n ASN 141 Ca 0.04 0.00 -0.37 0.00 1.68 0.00 0.00 54.58 55.93 3bdm n ASN 141 Cb 0.43 1.27 -0.00 0.00 -1.54 0.00 0.00 39.78 39.95 3bdm n ASN 141 CO 0.00 0.00 0.00 0.12 0.28 0.00 0.00 177.26 177.66 3bdm s PHE 142 N -2.49 2.78 -0.05 3.10 5.36 -0.07 -5.03 117.98 121.58 3bdm s PHE 142 Ca -0.03 1.51 -0.10 0.00 -0.96 0.00 0.00 56.93 57.36 3bdm s PHE 142 Cb 0.05 -3.44 0.02 0.00 -0.34 0.00 0.00 43.02 39.30 3bdm s PHE 142 CO 0.31 -1.72 0.24 1.03 -1.46 0.00 0.00 175.22 173.62 3bdm s ARG 143 N -2.75 0.42 0.46 10.12 0.52 -1.26 -5.00 118.95 121.45 3bdm s ARG 143 Ca 0.65 0.04 -0.21 0.00 -0.52 0.00 0.00 55.73 55.69 3bdm s ARG 143 Cb -0.30 0.19 -0.09 0.00 0.52 0.00 0.00 34.95 35.27 3bdm s ARG 143 CO 0.36 -0.09 1.01 -1.21 0.02 0.00 0.00 175.30 175.39 3bdm s GLU 144 N -0.57 4.00 -1.36 3.54 2.02 -1.26 -4.09 118.70 120.98 3bdm s GLU 144 Ca -0.07 1.29 -0.04 0.00 0.02 0.00 0.00 54.97 56.18 3bdm s GLU 144 Cb -0.04 -2.18 0.02 0.00 0.10 0.00 0.00 34.13 32.03 3bdm s GLU 144 CO 0.02 -0.25 0.79 0.09 0.02 0.00 0.00 175.26 175.92 3bdm n ASN 145 N -0.74 -2.24 -4.65 -0.19 5.03 -1.26 -4.93 115.26 106.27 3bdm n ASN 145 Ca 0.08 -0.80 -0.29 0.00 0.87 0.00 0.00 54.58 54.44 3bdm n ASN 145 Cb 0.53 -4.07 0.14 0.00 -1.02 0.00 0.00 39.78 35.35 3bdm n ASN 145 CO 0.00 0.00 0.00 -0.04 -1.83 0.00 0.00 177.26 175.39 3bdm s MET 146 N -6.13 1.15 0.51 3.52 -1.94 -1.26 -4.21 119.30 110.93 3bdm s MET 146 Ca 0.18 0.10 -0.02 0.00 -1.71 0.00 0.00 55.69 54.24 3bdm s MET 146 Cb -0.09 -1.86 -0.00 0.00 2.01 0.00 0.00 34.83 34.89 3bdm s MET 146 CO 0.81 -2.15 0.77 -1.54 -0.01 0.00 0.00 175.02 172.89 3bdm s SER 147 N -4.33 5.76 0.34 3.03 1.04 -1.26 -1.59 113.70 116.68 3bdm s SER 147 Ca 0.65 0.48 0.12 0.00 0.48 0.00 0.00 55.95 57.68 3bdm s SER 147 Cb -0.11 -1.63 0.93 0.00 0.10 0.00 0.00 66.02 65.30 3bdm s SER 147 CO 0.52 -0.84 1.74 0.50 0.98 0.00 0.00 173.24 176.15 3bdm h LYS 148 N 0.17 0.54 -0.06 4.02 3.64 -1.98 -0.22 116.57 122.66 3bdm h LYS 148 Ca -0.46 -0.03 -0.06 0.00 -1.27 0.00 0.00 60.65 58.83 3bdm h LYS 148 Cb 1.25 -0.12 0.00 0.00 -0.41 0.00 0.00 32.23 32.95 3bdm h LYS 148 CO 0.59 0.35 -0.20 0.93 -2.27 0.00 0.00 179.45 178.86 3bdm h GLU 149 N 0.55 0.24 -0.66 1.90 5.08 -1.98 -0.25 114.58 119.45 3bdm h GLU 149 Ca 0.63 -0.18 0.06 0.00 -1.00 0.00 0.00 59.36 58.87 3bdm h GLU 149 Cb 1.27 0.03 -0.04 0.00 0.50 0.00 0.00 28.75 30.51 3bdm h GLU 149 CO -0.42 0.80 0.44 0.93 -1.00 0.00 0.00 179.01 179.76 3bdm h GLU 150 N -0.28 0.67 0.04 2.33 5.08 -1.70 -0.81 114.58 119.92 3bdm h GLU 150 Ca -0.01 -0.04 -0.18 0.00 -1.00 0.00 0.00 59.36 58.13 3bdm h GLU 150 Cb 0.82 -0.15 0.02 0.00 0.50 0.00 0.00 28.75 29.94 3bdm h GLU 150 CO 0.04 0.45 -0.73 1.15 -1.00 0.00 0.00 179.01 178.92 3bdm h THR 151 N 0.70 1.42 0.00 1.13 2.02 -1.06 -0.94 112.91 116.18 3bdm h THR 151 Ca 0.28 -2.22 -0.01 0.00 0.77 0.00 0.00 66.41 65.23 3bdm h THR 151 Cb 0.23 2.71 -0.00 0.00 -1.74 0.00 0.00 68.15 69.35 3bdm h THR 151 CO -0.09 0.65 -0.06 0.58 0.37 0.00 0.00 175.52 176.97 3bdm h VAL 152 N -0.09 0.47 0.19 3.16 2.07 -0.61 -1.45 116.25 120.00 3bdm h VAL 152 Ca -0.10 -0.30 -0.30 0.00 0.82 0.00 0.00 66.70 66.82 3bdm h VAL 152 Cb 1.46 1.20 0.02 0.00 -1.52 0.00 0.00 31.29 32.45 3bdm h VAL 152 CO 0.14 0.06 -1.40 0.44 0.02 0.00 0.00 177.57 176.83 3bdm h ASP 153 N 0.00 0.64 -0.34 0.57 3.45 -1.10 -2.08 116.42 117.56 3bdm h ASP 153 Ca -0.00 -0.92 0.05 0.00 0.43 0.00 0.00 57.03 56.58 3bdm h ASP 153 Cb 0.19 -0.21 -0.04 0.00 -0.56 0.00 0.00 39.33 38.71 3bdm h ASP 153 CO 0.01 1.65 0.08 0.15 -1.57 0.00 0.00 179.24 179.56 3bdm h PHE 154 N -0.05 0.14 -0.36 4.55 3.57 -0.61 -0.17 116.94 124.01 3bdm h PHE 154 Ca -0.26 0.02 -0.05 0.00 3.53 0.00 0.00 57.97 61.21 3bdm h PHE 154 Cb 1.98 -0.01 -0.01 0.00 2.79 0.00 0.00 35.95 40.69 3bdm h PHE 154 CO 0.14 0.04 0.04 0.82 -2.23 0.00 0.00 178.31 177.12 3bdm h ILE 155 N 0.21 1.24 -0.68 1.41 2.04 -1.39 -1.10 117.51 119.24 3bdm h ILE 155 Ca 0.16 -0.88 -0.01 0.00 1.00 0.00 0.00 64.86 65.13 3bdm h ILE 155 Cb 0.16 1.13 -0.03 0.00 -0.74 0.00 0.00 36.82 37.34 3bdm h ILE 155 CO -0.19 0.29 0.39 0.50 0.00 0.00 0.00 178.15 179.14 3bdm h LYS 156 N 0.43 0.93 0.31 2.37 3.64 -0.96 -0.72 116.57 122.57 3bdm h LYS 156 Ca 0.11 -0.09 -0.01 0.00 -1.27 0.00 0.00 60.65 59.38 3bdm h LYS 156 Cb 0.39 -0.19 0.00 0.00 -0.41 0.00 0.00 32.23 32.02 3bdm h LYS 156 CO 0.01 0.67 -0.15 0.45 -2.27 0.00 0.00 179.45 178.16 3bdm h HIS 157 N 0.95 -0.38 -0.73 1.91 3.86 -0.96 -2.43 115.15 117.37 3bdm h HIS 157 Ca 0.24 -0.01 0.15 0.00 -1.16 0.00 0.00 60.37 59.60 3bdm h HIS 157 Cb -0.00 0.13 -0.13 0.00 1.06 0.00 0.00 27.41 28.46 3bdm h HIS 157 CO 0.00 -0.12 -0.12 0.77 0.86 0.00 0.00 177.93 179.33 3bdm h SER 158 N -1.04 -0.56 0.72 2.45 0.02 -1.10 -0.03 113.55 114.01 3bdm h SER 158 Ca -0.04 0.21 -0.11 0.00 -0.84 0.00 0.00 61.79 61.01 3bdm h SER 158 Cb 0.43 0.41 -0.02 0.00 0.14 0.00 0.00 62.40 63.36 3bdm h SER 158 CO 0.07 -0.22 -0.53 -0.07 -1.14 0.00 0.00 176.83 174.94 3bdm h LEU 159 N 0.03 0.00 -0.91 5.07 3.38 -1.23 -1.89 115.31 119.76 3bdm h LEU 159 Ca 0.37 0.00 -0.09 0.00 0.09 0.00 0.00 57.88 58.25 3bdm h LEU 159 Cb 0.59 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.33 3bdm h LEU 159 CO -0.71 0.53 -0.12 0.77 0.09 0.00 0.00 178.44 178.99 3bdm h SER 160 N 0.00 0.66 0.02 -0.43 4.64 -0.51 -0.15 113.55 117.78 3bdm h SER 160 Ca -0.01 -0.19 -0.00 0.00 -0.47 0.00 0.00 61.79 61.13 3bdm h SER 160 Cb 1.03 -0.18 0.00 0.00 -0.31 0.00 0.00 62.40 62.94 3bdm h SER 160 CO 0.07 0.80 -0.01 1.56 -0.87 0.00 0.00 176.83 178.38 3bdm h GLN 161 N 0.61 -0.03 -0.60 4.77 1.08 -1.13 -1.47 115.11 118.34 3bdm h GLN 161 Ca 0.11 0.00 0.11 0.00 -1.45 0.00 0.00 58.65 57.42 3bdm h GLN 161 Cb 0.56 0.01 -0.08 0.00 -0.05 0.00 0.00 27.48 27.91 3bdm h GLN 161 CO 0.04 0.45 0.15 0.00 -0.95 0.00 0.00 178.83 178.51 3bdm h ALA 162 N 0.44 0.72 -0.13 3.87 0.00 -1.17 0.19 119.26 123.18 3bdm h ALA 162 Ca -0.00 0.12 -0.03 0.00 0.00 0.00 0.00 54.91 54.99 3bdm h ALA 162 Cb 0.50 0.16 -0.01 0.00 0.00 0.00 0.00 17.79 18.43 3bdm h ALA 162 CO 0.00 -0.29 -0.08 0.82 0.00 0.00 0.00 179.25 179.71 3bdm h ILE 163 N 0.28 1.14 0.10 0.00 2.04 -0.98 -0.61 117.51 119.48 3bdm h ILE 163 Ca 0.31 -0.58 -0.00 0.00 1.00 0.00 0.00 64.86 65.59 3bdm h ILE 163 Cb 0.46 1.13 0.00 0.00 -0.74 0.00 0.00 36.82 37.67 3bdm h ILE 163 CO -0.39 0.18 -0.05 0.50 0.00 0.00 0.00 178.15 178.40 3bdm h LYS 164 N 0.19 -0.12 0.09 2.37 3.64 0.47 -3.35 116.57 119.86 3bdm h LYS 164 Ca 0.04 0.01 -0.23 0.00 -1.27 0.00 0.00 60.65 59.20 3bdm h LYS 164 Cb 0.27 0.03 -0.00 0.00 -0.41 0.00 0.00 32.23 32.11 3bdm h LYS 164 CO 0.01 -0.01 -1.18 -1.49 -2.27 0.00 0.00 179.45 174.51 3bdm h TRP 165 N -0.21 0.35 -3.33 1.91 4.06 -1.25 -3.46 115.95 114.02 3bdm h TRP 165 Ca -0.01 -0.25 -0.58 0.00 2.06 0.00 0.00 58.89 60.10 3bdm h TRP 165 Cb 0.17 -0.01 -0.07 0.00 -1.00 0.00 0.00 29.16 28.25 3bdm h TRP 165 CO -0.04 1.46 0.74 0.34 -3.56 0.00 0.00 178.44 177.38 3bdm s ASP 166 N -6.92 6.88 0.09 -3.49 2.15 -0.25 -4.90 116.67 110.23 3bdm s ASP 166 Ca -0.20 0.97 0.18 0.00 0.43 0.00 0.00 52.55 53.93 3bdm s ASP 166 Cb 0.03 -2.51 0.75 0.00 -0.30 0.00 0.00 42.92 40.90 3bdm s ASP 166 CO 0.74 -0.81 1.56 0.61 -0.17 0.00 0.00 175.17 177.10 3bdm n GLY 167 N 3.92 -1.11 0.77 2.66 0.00 -1.26 -2.06 105.19 108.11 3bdm n GLY 167 Ca 0.10 -0.00 0.06 0.00 0.00 0.00 0.00 46.02 46.17 3bdm n GLY 167 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 3bdm n SER 168 N -1.76 2.22 -4.28 1.61 7.64 -1.26 -4.86 113.62 112.94 3bdm n SER 168 Ca 0.03 -2.07 -0.15 0.00 1.01 0.00 0.00 58.87 57.69 3bdm n SER 168 Cb 0.20 -0.30 -0.10 0.00 -1.01 0.00 0.00 64.21 62.99 3bdm n SER 168 CO 0.00 0.00 0.00 -0.44 -3.01 0.00 0.00 175.04 171.59 3bdm s SER 169 N -0.90 1.57 0.00 6.43 0.01 -0.88 -1.05 113.70 118.89 3bdm s SER 169 Ca 0.25 -1.17 0.00 0.00 1.31 0.00 0.00 55.95 56.35 3bdm s SER 169 Cb 0.14 0.05 0.00 0.00 0.21 0.00 0.00 66.02 66.42 3bdm s SER 169 CO 0.16 -0.50 0.00 0.61 0.41 0.00 0.00 173.24 173.91 3bdm n GLY 170 N -0.31 0.21 4.86 3.44 0.00 -1.26 -4.89 105.19 107.25 3bdm n GLY 170 Ca -0.07 -1.64 0.00 0.00 0.00 0.00 0.00 46.02 44.31 3bdm n GLY 170 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3bdm n GLY 171 N 0.00 0.53 3.81 -0.02 0.00 -1.26 -1.76 105.19 106.49 3bdm n GLY 171 Ca 0.00 -1.01 -0.26 0.00 0.00 0.00 0.00 46.02 44.74 3bdm n GLY 171 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 3bdm s VAL 172 N 0.00 4.56 -0.24 1.61 -7.23 -1.26 -4.32 120.40 113.52 3bdm s VAL 172 Ca 0.00 -1.05 -0.14 0.00 -1.81 0.00 0.00 61.98 58.99 3bdm s VAL 172 Cb 0.00 -3.33 -0.04 0.00 0.56 0.00 0.00 36.38 33.57 3bdm s VAL 172 CO 0.00 -0.11 0.30 -0.63 -0.31 0.00 0.00 175.10 174.36 3bdm s ILE 173 N -1.75 5.25 -0.01 -0.62 1.01 -0.66 -2.98 121.20 121.44 3bdm s ILE 173 Ca 0.31 0.47 0.01 0.00 0.00 0.00 0.00 60.65 61.45 3bdm s ILE 173 Cb -0.10 -3.64 -0.04 0.00 0.01 0.00 0.00 42.46 38.70 3bdm s ILE 173 CO 0.24 0.25 -0.00 -0.13 0.00 0.00 0.00 174.94 175.30 3bdm s ARG 174 N 1.50 2.79 0.14 2.79 0.52 0.21 -0.92 118.95 125.99 3bdm s ARG 174 Ca 0.13 -0.60 0.03 0.00 -0.52 0.00 0.00 55.73 54.78 3bdm s ARG 174 Cb -0.15 -2.67 -0.04 0.00 0.52 0.00 0.00 34.95 32.61 3bdm s ARG 174 CO 0.08 0.63 -0.07 -1.64 0.02 0.00 0.00 175.30 174.31 3bdm s MET 175 N -1.51 1.03 -0.11 3.54 -1.94 -0.10 -1.22 119.30 118.98 3bdm s MET 175 Ca 0.19 -1.45 -0.04 0.00 -1.71 0.00 0.00 55.69 52.68 3bdm s MET 175 Cb -0.11 -0.47 0.06 0.00 2.01 0.00 0.00 34.83 36.31 3bdm s MET 175 CO 0.10 0.02 0.20 0.08 -0.01 0.00 0.00 175.02 175.40 3bdm s VAL 176 N -3.45 -0.31 -0.22 -6.03 1.01 -0.19 -1.13 120.40 110.07 3bdm s VAL 176 Ca 0.17 0.27 -0.11 0.00 0.00 0.00 0.00 61.98 62.31 3bdm s VAL 176 Cb 0.04 -0.39 -0.05 0.00 0.00 0.00 0.00 36.38 35.98 3bdm s VAL 176 CO 0.00 0.09 0.18 -0.69 0.00 0.00 0.00 175.10 174.68 3bdm s VAL 177 N 2.33 5.36 -0.22 2.92 1.01 0.57 -0.94 120.40 131.43 3bdm s VAL 177 Ca 0.03 0.24 0.01 0.00 0.00 0.00 0.00 61.98 62.26 3bdm s VAL 177 Cb -0.13 -3.52 0.03 0.00 0.00 0.00 0.00 36.38 32.77 3bdm s VAL 177 CO -0.07 0.36 -0.13 -0.76 0.00 0.00 0.00 175.10 174.50 3bdm s LEU 178 N 0.88 2.82 0.33 3.92 1.02 0.60 -1.76 118.68 126.48 3bdm s LEU 178 Ca 0.09 -0.92 -0.07 0.00 0.02 0.00 0.00 54.13 53.25 3bdm s LEU 178 Cb -0.13 -1.56 0.01 0.00 0.02 0.00 0.00 46.19 44.53 3bdm s LEU 178 CO 0.03 -0.09 0.52 0.42 0.02 0.00 0.00 176.35 177.26 3bdm s THR 179 N 1.25 0.00 0.41 5.49 -4.23 -1.02 -1.32 115.64 116.23 3bdm s THR 179 Ca -0.00 -1.46 0.11 0.00 -1.18 0.00 0.00 61.69 59.15 3bdm s THR 179 Cb -0.16 -2.59 0.30 0.00 1.34 0.00 0.00 72.50 71.40 3bdm s THR 179 CO -0.08 0.00 2.00 0.00 -0.54 0.00 0.00 174.62 176.00 3bdm h ALA 180 N 2.13 1.88 0.00 3.99 0.00 -1.92 -0.51 119.26 124.83 3bdm h ALA 180 Ca -0.29 -0.02 -0.01 0.00 0.00 0.00 0.00 54.91 54.60 3bdm h ALA 180 Cb 1.24 -0.12 -0.00 0.00 0.00 0.00 0.00 17.79 18.91 3bdm h ALA 180 CO 0.38 0.02 -0.04 0.00 0.00 0.00 0.00 179.25 179.62 3bdm h ALA 181 N 1.70 1.40 0.00 0.00 0.00 -1.95 -3.48 119.26 116.92 3bdm h ALA 181 Ca 0.25 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 55.13 3bdm h ALA 181 Cb 0.33 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.11 3bdm h ALA 181 CO -0.07 0.05 0.00 0.41 0.00 0.00 0.00 179.25 179.63 3bdm n GLY 183 N -1.09 0.67 3.05 0.00 0.00 -0.20 -5.06 105.19 102.56 3bdm n GLY 183 Ca -0.03 -1.61 -0.30 0.00 0.00 0.00 0.00 46.02 44.09 3bdm n GLY 183 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3bdm s VAL 184 N -3.65 1.62 -0.11 1.61 1.01 -1.26 -2.43 120.40 117.19 3bdm s VAL 184 Ca 0.00 -0.69 0.03 0.00 0.00 0.00 0.00 61.98 61.32 3bdm s VAL 184 Cb 0.00 -1.50 0.01 0.00 0.00 0.00 0.00 36.38 34.89 3bdm s VAL 184 CO 0.00 0.47 -0.21 -0.70 0.00 0.00 0.00 175.10 174.65 3bdm s GLU 185 N 1.23 2.82 -0.06 2.72 2.12 -0.72 -4.95 118.70 121.86 3bdm s GLU 185 Ca -0.00 -0.79 -0.18 0.00 0.36 0.00 0.00 54.97 54.35 3bdm s GLU 185 Cb -0.14 -2.21 -0.05 0.00 0.26 0.00 0.00 34.13 31.99 3bdm s GLU 185 CO -0.07 0.08 0.51 1.03 -0.54 0.00 0.00 175.26 176.27 3bdm s ARG 186 N 0.60 4.26 0.09 4.30 1.81 -1.26 -0.31 118.95 128.44 3bdm s ARG 186 Ca -0.13 0.55 0.07 0.00 -1.72 0.00 0.00 55.73 54.49 3bdm s ARG 186 Cb -0.17 -3.37 -0.03 0.00 -0.45 0.00 0.00 34.95 30.93 3bdm s ARG 186 CO 0.04 0.32 -0.18 -0.51 -0.68 0.00 0.00 175.30 174.29 3bdm s LEU 187 N 0.07 2.30 -0.04 2.53 1.43 -0.29 -4.98 118.68 119.71 3bdm s LEU 187 Ca 0.27 -0.67 -0.04 0.00 -1.03 0.00 0.00 54.13 52.67 3bdm s LEU 187 Cb -0.16 -0.71 0.01 0.00 0.03 0.00 0.00 46.19 45.36 3bdm s LEU 187 CO 0.13 -0.02 0.10 -0.51 0.23 0.00 0.00 176.35 176.29 3bdm s ILE 18 N -1.31 0.01 -0.02 -0.59 2.07 -1.26 -0.92 121.20 119.17 3bdm s ILE 18 Ca 0.03 -0.05 0.03 0.00 -1.41 0.00 0.00 60.65 59.25 3bdm s ILE 18 Cb -0.09 -0.16 -0.00 0.00 0.13 0.00 0.00 42.46 42.33 3bdm s ILE 18 CO 0.03 -0.03 -0.09 -0.36 -1.91 0.00 0.00 174.94 172.58 3bdm s PHE 18 N -0.04 0.93 0.29 3.50 0.08 -0.09 -4.99 117.98 117.66 3bdm s PHE 18 Ca -0.01 -0.21 0.03 0.00 0.12 0.00 0.00 56.93 56.86 3bdm s PHE 18 Cb -0.01 -0.64 -0.03 0.00 -0.57 0.00 0.00 43.02 41.77 3bdm s PHE 18 CO 0.00 -0.07 0.44 0.71 -0.10 0.00 0.00 175.22 176.21 3bdm s TYR 18 N 0.02 3.45 0.20 0.36 2.02 -1.26 -1.65 117.35 120.49 3bdm s TYR 18 Ca -0.00 0.12 -0.18 0.00 -0.37 0.00 0.00 57.07 56.64 3bdm s TYR 18 Cb -0.07 -1.73 0.18 0.00 -0.40 0.00 0.00 41.96 39.95 3bdm s TYR 18 CO 0.00 0.28 1.60 -1.35 -1.57 0.00 0.00 175.55 174.52 3bdm h PRO 18 N 0.98 -0.10 -0.77 -1.71 0.11 -1.98 0.12 132.00 128.65 3bdm h PRO 18 Ca -0.51 0.01 0.22 0.00 0.11 0.00 0.00 66.00 65.83 3bdm h PRO 18 Cb 1.23 0.02 -0.03 0.00 0.11 0.00 0.00 31.00 32.33 3bdm h PRO 18 CO 0.61 -0.07 0.74 -0.44 -0.21 0.00 0.00 178.00 178.63 3bdm h ASP 18 N -0.10 0.00 0.00 -2.05 3.32 -1.96 0.54 116.42 116.17 3bdm h ASP 18 Ca 0.27 0.00 -0.03 0.00 0.02 0.00 0.00 57.03 57.28 3bdm h ASP 18 Cb 0.53 0.00 -0.00 0.00 0.22 0.00 0.00 39.33 40.07 3bdm h ASP 18 CO -0.68 0.00 -0.67 1.21 -1.72 0.00 0.00 179.24 177.38 3bdm n GLU 18 N -3.73 0.47 0.26 3.56 2.13 0.38 -4.41 120.64 119.30 3bdm n GLU 18 Ca 0.16 0.50 0.16 0.00 0.66 0.00 0.00 57.16 58.64 3bdm n GLU 18 Cb 1.01 -1.67 0.60 0.00 0.27 0.00 0.00 31.44 31.65 3bdm n GLU 18 CO 0.00 0.00 0.00 0.10 -0.41 0.00 0.00 177.13 176.82 3bdm h TYR 18 N -1.00 0.00 -0.36 4.31 -0.00 -1.29 -3.10 116.97 115.53 3bdm h TYR 18 Ca -0.05 0.00 -0.07 0.00 0.00 0.00 0.00 58.73 58.61 3bdm h TYR 18 Cb 0.66 0.00 -0.02 0.00 0.00 0.00 0.00 36.73 37.37 3bdm h TYR 18 CO -0.21 0.00 -0.07 0.93 -0.00 0.00 0.00 178.16 178.82 3bdm h GLU 18 N 0.00 0.61 -2.04 0.10 5.08 -1.12 -3.14 114.58 114.06 3bdm h GLU 18 Ca 0.00 -0.17 -0.77 0.00 -1.00 0.00 0.00 59.36 57.42 3bdm h GLU 18 Cb 0.57 -0.07 -0.28 0.00 0.50 0.00 0.00 28.75 29.47 3bdm h GLU 18 CO 0.00 0.68 0.97 1.04 -1.00 0.00 0.00 179.01 180.70 3bdm n GLN 18 N -4.21 3.40 0.00 2.33 3.00 -1.17 -5.11 117.38 115.62 3bdm n GLN 18 Ca 0.01 -3.84 0.01 0.00 -0.01 0.00 0.00 57.00 53.17 3bdm n GLN 18 Cb 0.31 -2.31 0.01 0.00 0.00 0.00 0.00 30.24 28.24 3bdm n GLN 18 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.06 178.34