#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3d29 s SER 2 N 0.00 2.96 0.06 8.00 0.01 -1.26 -0.97 113.70 122.49 3d29 s SER 2 Ca 0.00 -0.74 0.03 0.00 1.31 0.00 0.00 55.95 56.55 3d29 s SER 2 Cb 0.00 -0.92 -0.03 0.00 0.21 0.00 0.00 66.02 65.28 3d29 s SER 2 CO 0.00 -0.20 -0.09 0.27 0.41 0.00 0.00 173.24 173.63 3d29 s ILE 3 N 1.62 0.65 0.07 1.44 -4.36 -0.49 -1.84 121.20 118.29 3d29 s ILE 3 Ca -0.00 -1.24 -0.26 0.00 -0.26 0.00 0.00 60.65 58.88 3d29 s ILE 3 Cb -0.16 -0.84 0.08 0.00 1.25 0.00 0.00 42.46 42.79 3d29 s ILE 3 CO -0.07 -0.43 0.70 0.00 0.24 0.00 0.00 174.94 175.37 3d29 s MET 4 N -1.95 1.11 -0.02 0.37 0.23 -0.73 -0.27 119.30 118.04 3d29 s MET 4 Ca -0.05 -0.29 0.00 0.00 -1.03 0.00 0.00 55.69 54.32 3d29 s MET 4 Cb -0.08 0.51 0.02 0.00 -1.53 0.00 0.00 34.83 33.75 3d29 s MET 4 CO -0.00 -0.46 0.00 0.00 -2.03 0.00 0.00 175.02 172.53 3d29 s ALA 5 N -3.10 0.23 -0.08 3.16 0.00 -0.53 -0.33 121.76 121.11 3d29 s ALA 5 Ca 0.00 0.13 0.01 0.00 0.00 0.00 0.00 51.96 52.11 3d29 s ALA 5 Cb -0.01 -0.23 0.02 0.00 0.00 0.00 0.00 23.12 22.90 3d29 s ALA 5 CO -0.08 -0.05 -0.10 0.08 0.00 0.00 0.00 175.76 175.61 3d29 s VAL 6 N 0.75 1.02 0.30 0.00 1.01 0.13 -1.41 120.40 122.19 3d29 s VAL 6 Ca -0.07 -0.38 -0.19 0.00 0.00 0.00 0.00 61.98 61.34 3d29 s VAL 6 Cb -0.10 -0.98 -0.09 0.00 0.00 0.00 0.00 36.38 35.21 3d29 s VAL 6 CO -0.02 0.34 0.79 0.42 0.00 0.00 0.00 175.10 176.64 3d29 s THR 7 N 0.99 4.52 0.16 3.92 -4.23 -0.49 -0.92 115.64 119.59 3d29 s THR 7 Ca -0.09 1.30 0.01 0.00 -1.18 0.00 0.00 61.69 61.73 3d29 s THR 7 Cb -0.15 -3.78 -0.00 0.00 1.34 0.00 0.00 72.50 69.92 3d29 s THR 7 CO -0.00 0.01 0.19 2.22 -0.54 0.00 0.00 174.62 176.50 3d29 n PHE 8 N 0.19 -0.71 -0.25 3.99 1.16 -0.18 -4.53 117.46 117.13 3d29 n PHE 8 Ca 0.01 -1.20 0.06 0.00 -1.87 0.00 0.00 57.45 54.46 3d29 n PHE 8 Cb 0.52 0.21 0.19 0.00 -1.61 0.00 0.00 39.48 38.79 3d29 n PHE 8 CO 0.00 0.00 0.00 -0.22 -1.87 0.00 0.00 176.76 174.67 3d29 h LYS 9 N 0.00 0.24 -0.02 3.97 3.64 -1.20 -2.80 116.57 120.39 3d29 h LYS 9 Ca -0.12 -0.01 0.00 0.00 -1.27 0.00 0.00 60.65 59.24 3d29 h LYS 9 Cb 0.57 -0.05 0.00 0.00 -0.41 0.00 0.00 32.23 32.33 3d29 h LYS 9 CO 0.17 0.16 -0.02 -0.25 -2.27 0.00 0.00 179.45 177.24 3d29 n ASP 10 N -5.18 2.41 0.00 4.20 10.43 -1.26 -4.95 116.55 122.20 3d29 n ASP 10 Ca 0.15 -1.79 0.00 0.00 2.57 0.00 0.00 54.79 55.72 3d29 n ASP 10 Cb 0.48 0.02 0.00 0.00 1.84 0.00 0.00 41.12 43.46 3d29 n ASP 10 CO 0.00 0.00 0.00 0.61 -1.07 0.00 0.00 177.20 176.74 3d29 n GLY 11 N 1.29 -0.32 3.36 0.44 0.00 -1.06 -4.17 105.19 104.73 3d29 n GLY 11 Ca 0.16 -0.06 -0.15 0.00 0.00 0.00 0.00 46.02 45.96 3d29 n GLY 11 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3d29 s VAL 12 N 0.00 0.03 -0.05 1.61 0.11 -0.60 -1.01 120.40 120.49 3d29 s VAL 12 Ca 0.00 -0.28 0.03 0.00 -2.93 0.00 0.00 61.98 58.81 3d29 s VAL 12 Cb 0.00 -0.78 0.00 0.00 -1.53 0.00 0.00 36.38 34.08 3d29 s VAL 12 CO 0.00 -0.15 -0.15 -0.63 -3.33 0.00 0.00 175.10 170.84 3d29 s ILE 13 N -1.27 1.29 -0.03 7.04 1.01 -0.10 -0.71 121.20 128.42 3d29 s ILE 13 Ca -0.13 -0.61 -0.01 0.00 0.00 0.00 0.00 60.65 59.90 3d29 s ILE 13 Cb -0.03 -1.13 -0.04 0.00 0.01 0.00 0.00 42.46 41.27 3d29 s ILE 13 CO 0.07 0.38 0.05 -0.76 0.00 0.00 0.00 174.94 174.67 3d29 s LEU 14 N 0.25 3.76 0.04 2.97 1.02 -0.28 -0.70 118.68 125.75 3d29 s LEU 14 Ca -0.08 0.14 0.00 0.00 0.02 0.00 0.00 54.13 54.21 3d29 s LEU 14 Cb -0.13 -2.07 -0.03 0.00 0.02 0.00 0.00 46.19 43.98 3d29 s LEU 14 CO 0.03 0.31 -0.04 -0.83 0.02 0.00 0.00 176.35 175.84 3d29 s GLY 15 N -1.41 0.42 0.01 -3.19 0.00 0.55 -1.02 107.32 102.68 3d29 s GLY 15 Ca 0.19 -0.89 -0.28 0.00 0.00 0.00 0.00 44.72 43.74 3d29 s GLY 15 CO 0.09 -0.97 0.80 0.00 0.00 0.00 0.00 173.10 173.02 3d29 s ALA 16 N -2.39 -1.78 0.74 3.20 0.00 -0.32 -1.78 121.76 119.43 3d29 s ALA 16 Ca -0.05 1.02 -0.02 0.00 0.00 0.00 0.00 51.96 52.91 3d29 s ALA 16 Cb -0.03 0.29 0.05 0.00 0.00 0.00 0.00 23.12 23.43 3d29 s ALA 16 CO -0.04 -0.60 0.33 -0.40 0.00 0.00 0.00 175.76 175.05 3d29 n ASP 17 N 0.05 0.21 -1.54 0.00 5.75 -0.77 -0.27 116.55 119.99 3d29 n ASP 17 Ca -0.13 -1.23 0.00 0.00 -0.01 0.00 0.00 54.79 53.43 3d29 n ASP 17 Cb 0.61 -0.23 0.08 0.00 -1.03 0.00 0.00 41.12 40.55 3d29 n ASP 17 CO 0.00 0.00 0.00 -1.54 -0.11 0.00 0.00 177.20 175.55 3d29 n SER 18 N -3.11 1.83 -4.59 -1.12 3.41 -0.50 -4.57 113.62 104.98 3d29 n SER 18 Ca 0.05 -2.80 -0.34 0.00 -0.26 0.00 0.00 58.87 55.51 3d29 n SER 18 Cb 0.17 -0.41 -0.11 0.00 -0.26 0.00 0.00 64.21 63.60 3d29 n SER 18 CO 0.00 0.00 0.00 -0.60 -0.16 0.00 0.00 175.04 174.28 3d29 s ARG 19 N -2.11 3.49 -0.07 4.33 3.52 -1.18 -0.98 118.95 125.95 3d29 s ARG 19 Ca 0.36 -0.44 0.02 0.00 -0.13 0.00 0.00 55.73 55.54 3d29 s ARG 19 Cb 0.37 -2.93 0.01 0.00 -1.56 0.00 0.00 34.95 30.85 3d29 s ARG 19 CO -0.09 0.41 -0.13 0.95 -0.81 0.00 0.00 175.30 175.64 3d29 s THR 20 N -0.08 1.21 0.23 4.11 -4.23 -0.45 -4.67 115.64 111.75 3d29 s THR 20 Ca 0.04 -0.51 0.10 0.00 -1.18 0.00 0.00 61.69 60.14 3d29 s THR 20 Cb -0.13 -1.11 -0.05 0.00 1.34 0.00 0.00 72.50 72.56 3d29 s THR 20 CO 0.02 0.37 -0.18 0.42 -0.54 0.00 0.00 174.62 174.71 3d29 s THR 21 N 0.73 2.15 -0.43 3.99 -4.23 -1.26 -0.62 115.64 115.98 3d29 s THR 21 Ca -0.13 -2.26 0.02 0.00 -1.18 0.00 0.00 61.69 58.14 3d29 s THR 21 Cb -0.16 -2.15 0.14 0.00 1.34 0.00 0.00 72.50 71.67 3d29 s THR 21 CO 0.03 -0.43 0.24 0.42 -0.54 0.00 0.00 174.62 174.34 3d29 s THR 22 N -2.54 1.17 0.00 3.99 -4.23 -0.14 -4.84 115.64 109.04 3d29 s THR 22 Ca 0.25 -2.43 0.00 0.00 -1.18 0.00 0.00 61.69 58.33 3d29 s THR 22 Cb -0.04 -1.82 0.00 0.00 1.34 0.00 0.00 72.50 71.98 3d29 s THR 22 CO 0.11 -0.92 0.00 0.61 -0.54 0.00 0.00 174.62 173.88 3d29 n GLY 23 N 3.59 0.82 0.94 3.99 0.00 -1.26 -2.72 105.19 110.55 3d29 n GLY 23 Ca 0.10 -0.71 0.12 0.00 0.00 0.00 0.00 46.02 45.53 3d29 n GLY 23 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3d29 n ALA 24 N 8.97 2.46 -2.55 4.61 0.00 -1.26 -4.91 120.51 127.84 3d29 n ALA 24 Ca 0.00 -0.75 -0.38 0.00 0.00 0.00 0.00 53.44 52.31 3d29 n ALA 24 Cb 0.00 -0.89 -0.06 0.00 0.00 0.00 0.00 19.45 18.50 3d29 n ALA 24 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 177.50 177.03 3d29 s TYR 25 N -1.83 3.68 -0.64 0.00 5.04 -1.10 -5.02 117.35 117.48 3d29 s TYR 25 Ca 0.33 0.95 -0.20 0.00 -2.44 0.00 0.00 57.07 55.71 3d29 s TYR 25 Cb 0.21 -2.34 0.10 0.00 0.35 0.00 0.00 41.96 40.28 3d29 s TYR 25 CO 0.31 0.54 0.80 0.42 -1.34 0.00 0.00 175.55 176.28 3d29 s ILE 26 N -0.71 4.70 0.39 3.14 1.01 -1.26 -0.97 121.20 127.50 3d29 s ILE 26 Ca 0.24 -0.90 0.10 0.00 0.00 0.00 0.00 60.65 60.09 3d29 s ILE 26 Cb -0.16 -4.56 0.15 0.00 0.01 0.00 0.00 42.46 37.90 3d29 s ILE 26 CO 0.12 -1.24 1.91 0.00 0.00 0.00 0.00 174.94 175.73 3d29 h ALA 27 N 9.24 1.50 -2.73 9.38 0.00 -1.19 -3.42 119.26 132.04 3d29 h ALA 27 Ca -0.26 -0.22 -0.14 0.00 0.00 0.00 0.00 54.91 54.29 3d29 h ALA 27 Cb 1.08 -0.08 -0.28 0.00 0.00 0.00 0.00 17.79 18.51 3d29 h ALA 27 CO 1.12 0.36 -0.39 1.21 0.00 0.00 0.00 179.25 181.55 3d29 s ASN 28 N -6.89 -0.28 0.00 0.00 3.84 -1.00 -5.01 114.94 105.60 3d29 s ASN 28 Ca -0.05 0.79 0.21 0.00 0.21 0.00 0.00 52.86 54.03 3d29 s ASN 28 Cb 0.15 0.81 -0.01 0.00 -0.55 0.00 0.00 41.25 41.65 3d29 s ASN 28 CO 0.73 -0.20 1.05 -2.11 -2.79 0.00 0.00 177.10 173.77 3d29 n ARG 29 N 4.66 1.31 -2.38 0.43 1.85 -1.26 -1.35 116.66 119.93 3d29 n ARG 29 Ca -0.18 -0.98 -0.14 0.00 -1.00 0.00 0.00 57.85 55.55 3d29 n ARG 29 Cb 0.53 -1.44 0.03 0.00 -1.05 0.00 0.00 32.46 30.53 3d29 n ARG 29 CO 0.00 0.00 0.00 1.33 -0.01 0.00 0.00 177.63 178.95 3d29 n VAL 30 N -0.02 1.99 -2.15 8.89 0.24 -1.07 -4.31 118.33 121.90 3d29 n VAL 30 Ca 0.09 -3.68 -0.38 0.00 -2.04 0.00 0.00 64.34 58.33 3d29 n VAL 30 Cb 0.45 -0.11 0.00 0.00 -1.47 0.00 0.00 33.84 32.71 3d29 n VAL 30 CO 0.00 0.00 0.00 -0.89 -2.14 0.00 0.00 176.83 173.80 3d29 s THR 31 N -4.27 2.87 -0.54 3.34 2.01 -0.15 -5.00 115.64 113.89 3d29 s THR 31 Ca 0.41 0.66 -0.08 0.00 0.31 0.00 0.00 61.69 62.99 3d29 s THR 31 Cb 0.37 -3.34 0.14 0.00 0.01 0.00 0.00 72.50 69.68 3d29 s THR 31 CO 0.00 0.00 0.40 -0.62 -0.69 0.00 0.00 174.62 173.72 3d29 s ASP 32 N -1.22 5.69 0.00 3.53 3.68 -1.26 -4.37 116.67 122.72 3d29 s ASP 32 Ca 0.64 -2.22 0.29 0.00 2.13 0.00 0.00 52.55 53.40 3d29 s ASP 32 Cb -0.32 -1.99 1.35 0.00 -1.45 0.00 0.00 42.92 40.52 3d29 s ASP 32 CO 0.39 -0.60 1.91 0.29 0.13 0.00 0.00 175.17 177.29 3d29 n LYS 33 N 4.46 1.43 -3.35 4.34 5.02 -1.26 -4.68 118.16 124.12 3d29 n LYS 33 Ca -0.01 -0.62 -0.44 0.00 -2.02 0.00 0.00 58.31 55.22 3d29 n LYS 33 Cb 0.41 -1.48 -0.08 0.00 -0.02 0.00 0.00 35.03 33.85 3d29 n LYS 33 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 3d29 s LEU 34 N -1.99 5.21 -0.08 -0.35 1.43 -1.26 -1.98 118.68 119.66 3d29 s LEU 34 Ca 0.41 -1.00 0.02 0.00 -1.03 0.00 0.00 54.13 52.54 3d29 s LEU 34 Cb 0.21 -2.27 -0.02 0.00 0.03 0.00 0.00 46.19 44.13 3d29 s LEU 34 CO 0.34 -0.63 -0.13 -0.89 0.23 0.00 0.00 176.35 175.28 3d29 s THR 35 N 1.94 3.16 -0.18 5.49 2.01 -0.42 -4.96 115.64 122.68 3d29 s THR 35 Ca 0.08 -0.67 -0.20 0.00 0.31 0.00 0.00 61.69 61.21 3d29 s THR 35 Cb -0.20 -2.27 -0.03 0.00 0.01 0.00 0.00 72.50 70.00 3d29 s THR 35 CO 0.10 0.57 0.58 -0.60 -0.69 0.00 0.00 174.62 174.58 3d29 s ARG 36 N -0.41 4.24 -0.00 4.92 3.52 -1.26 -0.59 118.95 129.37 3d29 s ARG 36 Ca 0.05 0.56 0.08 0.00 -0.13 0.00 0.00 55.73 56.29 3d29 s ARG 36 Cb -0.12 -3.54 -0.10 0.00 -1.56 0.00 0.00 34.95 29.63 3d29 s ARG 36 CO 0.02 -0.14 0.32 1.33 -0.81 0.00 0.00 175.30 176.02 3d29 n VAL 37 N 4.44 0.00 -3.55 7.11 0.24 -0.78 -4.93 118.33 120.87 3d29 n VAL 37 Ca -0.03 -0.28 -0.08 0.00 -2.04 0.00 0.00 64.34 61.91 3d29 n VAL 37 Cb 0.50 0.86 -0.02 0.00 -1.47 0.00 0.00 33.84 33.71 3d29 n VAL 37 CO 0.00 0.00 0.00 -2.28 -2.14 0.00 0.00 176.83 172.41 3d29 s HIS 38 N -1.95 -0.33 0.25 6.34 5.65 -0.83 -4.56 115.29 119.87 3d29 s HIS 38 Ca 0.02 0.14 -0.11 0.00 0.25 0.00 0.00 55.06 55.36 3d29 s HIS 38 Cb 0.06 0.57 0.37 0.00 -1.18 0.00 0.00 32.58 32.40 3d29 s HIS 38 CO 0.34 -0.67 1.49 -0.25 -0.65 0.00 0.00 174.74 175.00 3d29 n ASP 39 N -0.32 -0.44 -1.06 9.88 8.00 -1.26 -1.97 116.55 129.38 3d29 n ASP 39 Ca -0.09 1.65 0.02 0.00 0.71 0.00 0.00 54.79 57.08 3d29 n ASP 39 Cb 0.62 -0.46 0.14 0.00 -0.02 0.00 0.00 41.12 41.40 3d29 n ASP 39 CO 0.00 0.00 0.00 0.29 -0.39 0.00 0.00 177.20 177.10 3d29 n LYS 40 N -5.51 1.43 -3.85 -1.24 5.02 -1.26 -4.94 118.16 107.80 3d29 n LYS 40 Ca 0.13 -3.09 -0.29 0.00 -2.02 0.00 0.00 58.31 53.05 3d29 n LYS 40 Cb 0.45 -1.30 -0.16 0.00 -0.02 0.00 0.00 35.03 34.00 3d29 n LYS 40 CO 0.00 0.00 0.00 0.42 -0.52 0.00 0.00 177.40 177.30 3d29 s ILE 41 N -2.63 1.03 0.46 -0.18 1.09 -0.83 -0.79 121.20 119.35 3d29 s ILE 41 Ca 0.38 -0.78 0.04 0.00 -1.10 0.00 0.00 60.65 59.19 3d29 s ILE 41 Cb 0.38 -1.35 -0.05 0.00 -1.06 0.00 0.00 42.46 40.38 3d29 s ILE 41 CO -0.08 -0.06 0.01 0.26 -0.10 0.00 0.00 174.94 174.97 3d29 s TRP 42 N 1.64 2.17 0.06 3.97 0.52 0.66 -1.86 118.94 126.10 3d29 s TRP 42 Ca -0.02 -0.83 -0.06 0.00 0.02 0.00 0.00 56.10 55.21 3d29 s TRP 42 Cb -0.17 -1.67 -0.01 0.00 -1.15 0.00 0.00 33.47 30.46 3d29 s TRP 42 CO -0.07 0.32 0.10 0.00 0.02 0.00 0.00 176.95 177.32 3d29 s ARG 45 N 0.35 3.12 0.06 0.00 0.52 -0.84 -1.65 118.95 120.51 3d29 s ARG 45 Ca -0.06 -0.34 -0.10 0.00 -0.52 0.00 0.00 55.73 54.71 3d29 s ARG 45 Cb -0.15 -2.91 0.01 0.00 0.52 0.00 0.00 34.95 32.42 3d29 s ARG 45 CO 0.04 0.72 0.22 -1.54 0.02 0.00 0.00 175.30 174.75 3d29 s SER 46 N -1.02 0.03 0.00 0.23 1.04 -0.79 -4.94 113.70 108.25 3d29 s SER 46 Ca 0.15 -0.45 0.00 0.00 0.48 0.00 0.00 55.95 56.12 3d29 s SER 46 Cb -0.12 0.33 0.00 0.00 0.10 0.00 0.00 66.02 66.33 3d29 s SER 46 CO 0.04 -0.65 0.00 0.61 0.98 0.00 0.00 173.24 174.22 3d29 n GLY 47 N 0.33 0.95 3.69 7.32 0.00 -1.26 -1.33 105.19 114.89 3d29 n GLY 47 Ca -0.17 -1.43 -0.42 0.00 0.00 0.00 0.00 46.02 44.00 3d29 n GLY 47 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 3d29 s SER 48 N -4.00 7.19 0.10 1.61 0.15 0.81 -4.93 113.70 114.63 3d29 s SER 48 Ca 0.00 1.46 -0.20 0.00 0.70 0.00 0.00 55.95 57.91 3d29 s SER 48 Cb 0.00 -2.53 -0.08 0.00 -1.71 0.00 0.00 66.02 61.70 3d29 s SER 48 CO 0.00 -0.42 1.68 0.00 1.20 0.00 0.00 173.24 175.70 3d29 h ALA 49 N 7.12 0.26 -0.33 5.45 0.00 -1.91 0.57 119.26 130.41 3d29 h ALA 49 Ca -0.31 -0.07 0.01 0.00 0.00 0.00 0.00 54.91 54.54 3d29 h ALA 49 Cb 1.15 -0.08 -0.02 0.00 0.00 0.00 0.00 17.79 18.84 3d29 h ALA 49 CO 0.85 -0.20 0.20 0.00 0.00 0.00 0.00 179.25 180.10 3d29 h ALA 50 N 0.98 0.42 -0.18 0.00 0.00 -1.97 -0.67 119.26 117.83 3d29 h ALA 50 Ca 0.07 -0.01 -0.02 0.00 0.00 0.00 0.00 54.91 54.95 3d29 h ALA 50 Cb 0.10 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 17.78 3d29 h ALA 50 CO -0.01 -0.16 0.03 -0.44 0.00 0.00 0.00 179.25 178.68 3d29 h ASP 51 N 0.40 0.29 -0.03 0.00 3.32 -1.82 -1.98 116.42 116.60 3d29 h ASP 51 Ca 0.13 -0.25 -0.11 0.00 0.02 0.00 0.00 57.03 56.81 3d29 h ASP 51 Cb -0.00 -0.08 -0.01 0.00 0.22 0.00 0.00 39.33 39.46 3d29 h ASP 51 CO -0.06 0.47 -0.33 0.71 -1.72 0.00 0.00 179.24 178.31 3d29 h THR 52 N 0.09 1.29 0.05 0.35 1.35 -0.83 -1.38 112.91 113.83 3d29 h THR 52 Ca 0.06 -1.43 -0.00 0.00 -0.55 0.00 0.00 66.41 64.49 3d29 h THR 52 Cb 0.30 1.46 0.00 0.00 -1.73 0.00 0.00 68.15 68.19 3d29 h THR 52 CO 0.00 0.45 -0.02 1.56 -0.25 0.00 0.00 175.52 177.26 3d29 h GLN 53 N 0.43 -0.07 -0.64 4.72 4.20 -1.10 0.11 115.11 122.77 3d29 h GLN 53 Ca 0.05 0.00 0.01 0.00 0.06 0.00 0.00 58.65 58.78 3d29 h GLN 53 Cb 0.79 0.02 -0.03 0.00 0.30 0.00 0.00 27.48 28.55 3d29 h GLN 53 CO 0.06 0.07 0.42 0.00 -0.67 0.00 0.00 178.83 178.72 3d29 h ALA 54 N 0.75 1.57 -0.04 3.87 0.00 -1.21 0.12 119.26 124.32 3d29 h ALA 54 Ca -0.01 -0.04 -0.04 0.00 0.00 0.00 0.00 54.91 54.82 3d29 h ALA 54 Cb 0.17 -0.25 0.00 0.00 0.00 0.00 0.00 17.79 17.71 3d29 h ALA 54 CO 0.01 0.39 -0.14 0.82 0.00 0.00 0.00 179.25 180.33 3d29 h ILE 55 N 0.84 1.47 -0.39 0.00 2.04 -1.05 -2.55 117.51 117.88 3d29 h ILE 55 Ca 0.24 -1.60 0.03 0.00 1.00 0.00 0.00 64.86 64.52 3d29 h ILE 55 Cb -0.06 2.43 -0.03 0.00 -0.74 0.00 0.00 36.82 38.41 3d29 h ILE 55 CO -0.05 0.44 0.20 0.00 0.00 0.00 0.00 178.15 178.73 3d29 h ALA 56 N 0.40 0.48 -0.98 1.87 0.00 -0.43 0.87 119.26 121.46 3d29 h ALA 56 Ca -0.01 0.01 0.10 0.00 0.00 0.00 0.00 54.91 55.01 3d29 h ALA 56 Cb 0.79 -0.07 -0.08 0.00 0.00 0.00 0.00 17.79 18.44 3d29 h ALA 56 CO 0.03 -0.16 0.61 -0.44 0.00 0.00 0.00 179.25 179.29 3d29 h ASP 57 N 0.40 0.92 -0.20 0.00 3.45 -0.82 0.34 116.42 120.52 3d29 h ASP 57 Ca 0.16 0.04 -0.19 0.00 0.43 0.00 0.00 57.03 57.47 3d29 h ASP 57 Cb 0.06 -0.15 0.01 0.00 -0.56 0.00 0.00 39.33 38.69 3d29 h ASP 57 CO -0.11 0.52 -0.62 0.40 -1.57 0.00 0.00 179.24 177.87 3d29 h ILE 58 N 1.02 1.29 -0.62 0.35 2.04 -0.86 -2.44 117.51 118.29 3d29 h ILE 58 Ca 0.47 -1.83 0.00 0.00 1.00 0.00 0.00 64.86 64.50 3d29 h ILE 58 Cb 0.38 1.89 -0.03 0.00 -0.74 0.00 0.00 36.82 38.32 3d29 h ILE 58 CO -0.24 0.58 0.40 0.58 0.00 0.00 0.00 178.15 179.47 3d29 h VAL 59 N 0.49 1.17 -0.65 1.67 2.07 -0.15 -0.44 116.25 120.41 3d29 h VAL 59 Ca -0.02 -0.34 0.04 0.00 0.82 0.00 0.00 66.70 67.20 3d29 h VAL 59 Cb 1.24 0.28 -0.05 0.00 -1.52 0.00 0.00 31.29 31.24 3d29 h VAL 59 CO 0.13 0.17 0.38 -0.61 0.02 0.00 0.00 177.57 177.66 3d29 h GLN 60 N 0.84 0.70 -0.63 1.57 4.15 -0.92 0.51 115.11 121.34 3d29 h GLN 60 Ca 0.23 -0.04 -0.00 0.00 0.77 0.00 0.00 58.65 59.60 3d29 h GLN 60 Cb -0.07 -0.16 -0.03 0.00 0.21 0.00 0.00 27.48 27.44 3d29 h GLN 60 CO -0.05 0.46 0.39 -0.92 -1.93 0.00 0.00 178.83 176.78 3d29 h TYR 61 N 0.72 0.82 -0.53 3.99 3.20 -0.88 -0.60 116.97 123.68 3d29 h TYR 61 Ca 0.28 0.00 -0.09 0.00 3.14 0.00 0.00 58.73 62.06 3d29 h TYR 61 Cb 0.11 -0.27 -0.02 0.00 1.54 0.00 0.00 36.73 38.09 3d29 h TYR 61 CO -0.07 0.54 -0.01 0.45 -1.64 0.00 0.00 178.16 177.44 3d29 h HIS 62 N 0.85 0.99 -0.07 -3.82 3.86 -0.09 -2.17 115.15 114.70 3d29 h HIS 62 Ca 0.23 -0.16 -0.17 0.00 -1.16 0.00 0.00 60.37 59.11 3d29 h HIS 62 Cb -0.04 -0.26 -0.01 0.00 1.06 0.00 0.00 27.41 28.16 3d29 h HIS 62 CO -0.02 0.90 -0.70 -0.07 0.86 0.00 0.00 177.93 178.90 3d29 h LEU 63 N 0.84 0.37 -0.27 2.43 3.38 -0.74 -0.77 115.31 120.56 3d29 h LEU 63 Ca 0.15 -0.24 -0.01 0.00 0.09 0.00 0.00 57.88 57.87 3d29 h LEU 63 Cb 0.52 -0.11 -0.01 0.00 0.09 0.00 0.00 40.66 41.15 3d29 h LEU 63 CO 0.03 0.95 0.12 -0.08 0.09 0.00 0.00 178.44 179.55 3d29 h GLU 64 N 0.22 0.39 -0.42 1.13 4.81 -0.90 0.42 114.58 120.23 3d29 h GLU 64 Ca -0.02 -0.07 -0.08 0.00 -0.13 0.00 0.00 59.36 59.07 3d29 h GLU 64 Cb 1.25 -0.07 -0.02 0.00 0.63 0.00 0.00 28.75 30.54 3d29 h GLU 64 CO 0.11 0.41 -0.06 1.25 -0.73 0.00 0.00 179.01 179.99 3d29 h LEU 65 N 0.29 0.69 0.02 1.64 5.85 -1.36 -1.71 115.31 120.73 3d29 h LEU 65 Ca 0.09 -0.18 -0.00 0.00 0.84 0.00 0.00 57.88 58.63 3d29 h LEU 65 Cb 0.15 -0.18 0.00 0.00 0.37 0.00 0.00 40.66 41.00 3d29 h LEU 65 CO -0.01 0.80 -0.01 0.22 -0.34 0.00 0.00 178.44 179.10 3d29 h TYR 66 N 0.66 -0.03 -0.60 1.25 3.20 -0.74 -2.54 116.97 118.18 3d29 h TYR 66 Ca 0.12 -0.00 0.05 0.00 3.14 0.00 0.00 58.73 62.04 3d29 h TYR 66 Cb 0.50 0.01 -0.05 0.00 1.54 0.00 0.00 36.73 38.73 3d29 h TYR 66 CO 0.02 0.02 0.33 1.15 -1.64 0.00 0.00 178.16 178.04 3d29 h THR 67 N -0.06 0.98 -0.89 1.81 2.02 -0.67 0.57 112.91 116.67 3d29 h THR 67 Ca -0.00 -0.21 0.11 0.00 0.77 0.00 0.00 66.41 67.07 3d29 h THR 67 Cb 0.05 0.30 -0.07 0.00 -1.74 0.00 0.00 68.15 66.70 3d29 h THR 67 CO 0.00 0.11 0.57 0.28 0.37 0.00 0.00 175.52 176.86 3d29 h SER 68 N 0.62 0.75 0.08 4.18 0.02 -1.09 -2.03 113.55 116.09 3d29 h SER 68 Ca 0.26 0.03 -0.36 0.00 -0.84 0.00 0.00 61.79 60.88 3d29 h SER 68 Cb 0.14 -0.13 -0.03 0.00 0.14 0.00 0.00 62.40 62.52 3d29 h SER 68 CO -0.16 0.43 -2.04 0.00 -1.14 0.00 0.00 176.83 173.92 3d29 n GLN 69 N -4.54 0.71 -0.43 3.45 6.02 -0.59 -4.72 117.38 117.27 3d29 n GLN 69 Ca 0.16 0.28 0.06 0.00 -0.01 0.00 0.00 57.00 57.48 3d29 n GLN 69 Cb 0.36 -1.66 0.10 0.00 1.02 0.00 0.00 30.24 30.05 3d29 n GLN 69 CO 0.00 0.00 0.00 0.66 -1.01 0.00 0.00 177.06 176.71 3d29 n TYR 70 N -3.59 0.00 -4.09 1.08 4.02 0.19 -5.11 117.16 109.67 3d29 n TYR 70 Ca -0.36 -0.73 0.00 0.00 -0.01 0.00 0.00 57.90 56.80 3d29 n TYR 70 Cb 0.98 -0.14 0.00 0.00 -0.02 0.00 0.00 39.34 40.17 3d29 n TYR 70 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 3d29 n GLY 72 N -0.76 -1.92 3.69 2.72 0.00 -0.76 -4.88 105.19 103.27 3d29 n GLY 72 Ca 0.11 -1.38 -0.45 0.00 0.00 0.00 0.00 46.02 44.30 3d29 n GLY 72 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 3d29 n THR 73 N -0.15 0.00 -3.20 2.61 -1.04 -1.26 -3.70 114.28 107.53 3d29 n THR 73 Ca 0.00 -0.00 -0.33 0.00 -2.04 0.00 0.00 64.05 61.68 3d29 n THR 73 Cb 0.00 -1.69 -0.06 0.00 -1.82 0.00 0.00 70.33 66.76 3d29 n THR 73 CO 0.00 0.00 0.00 -2.16 -0.64 0.00 0.00 175.07 172.27 3d29 s PRO 74 N 1.00 4.02 0.82 -2.82 0.04 -1.26 -5.02 135.00 131.77 3d29 s PRO 74 Ca 0.77 0.63 -0.12 0.00 0.04 0.00 0.00 61.00 62.32 3d29 s PRO 74 Cb -0.62 -2.61 0.08 0.00 0.04 0.00 0.00 34.50 31.39 3d29 s PRO 74 CO 0.36 0.27 1.13 -1.54 0.04 0.00 0.00 177.00 177.25 3d29 s SER 75 N -2.10 4.38 0.26 6.66 1.04 -1.26 -4.94 113.70 117.74 3d29 s SER 75 Ca 0.49 1.06 0.02 0.00 0.48 0.00 0.00 55.95 58.00 3d29 s SER 75 Cb -0.12 -1.71 0.34 0.00 0.10 0.00 0.00 66.02 64.63 3d29 s SER 75 CO 0.19 -2.01 1.65 0.74 0.98 0.00 0.00 173.24 174.79 3d29 h THR 76 N -1.12 1.30 -0.29 2.02 2.02 -1.94 -2.75 112.91 112.14 3d29 h THR 76 Ca -0.47 -1.52 0.00 0.00 0.77 0.00 0.00 66.41 65.19 3d29 h THR 76 Cb 1.30 1.59 -0.01 0.00 -1.74 0.00 0.00 68.15 69.28 3d29 h THR 76 CO 0.62 0.47 0.19 -0.08 0.37 0.00 0.00 175.52 177.09 3d29 h GLU 77 N 0.35 0.39 -1.00 6.66 4.81 -1.99 -1.20 114.58 122.61 3d29 h GLU 77 Ca 0.03 -0.03 0.05 0.00 -0.13 0.00 0.00 59.36 59.29 3d29 h GLU 77 Cb 0.84 -0.09 -0.06 0.00 0.63 0.00 0.00 28.75 30.07 3d29 h GLU 77 CO 0.07 0.27 0.65 1.15 -0.73 0.00 0.00 179.01 180.41 3d29 h THR 78 N 0.40 1.13 -0.50 0.32 2.02 -1.88 -0.52 112.91 113.88 3d29 h THR 78 Ca 0.11 -0.42 -0.11 0.00 0.77 0.00 0.00 66.41 66.76 3d29 h THR 78 Cb -0.04 -0.19 -0.02 0.00 -1.74 0.00 0.00 68.15 66.17 3d29 h THR 78 CO -0.02 0.22 -0.12 0.00 0.37 0.00 0.00 175.52 175.97 3d29 h ALA 79 N 1.44 0.68 0.00 6.16 0.00 -1.16 -2.01 119.26 124.37 3d29 h ALA 79 Ca 0.41 -0.35 -0.02 0.00 0.00 0.00 0.00 54.91 54.95 3d29 h ALA 79 Cb 0.08 -0.18 -0.00 0.00 0.00 0.00 0.00 17.79 17.69 3d29 h ALA 79 CO -0.15 0.59 -0.11 0.00 0.00 0.00 0.00 179.25 179.59 3d29 h ALA 80 N 0.90 1.20 0.11 0.00 0.00 -0.53 -2.37 119.26 118.57 3d29 h ALA 80 Ca 0.13 -0.10 -0.27 0.00 0.00 0.00 0.00 54.91 54.66 3d29 h ALA 80 Cb 0.67 -0.02 0.01 0.00 0.00 0.00 0.00 17.79 18.46 3d29 h ALA 80 CO 0.05 0.14 -1.19 1.03 0.00 0.00 0.00 179.25 179.28 3d29 h SER 81 N 0.00 0.62 -0.36 0.00 0.87 -0.43 -2.07 113.55 112.18 3d29 h SER 81 Ca -0.00 -0.59 -0.11 0.00 -1.23 0.00 0.00 61.79 59.86 3d29 h SER 81 Cb 0.38 -0.20 -0.01 0.00 -0.44 0.00 0.00 62.40 62.13 3d29 h SER 81 CO 0.01 1.42 -0.21 0.58 -0.53 0.00 0.00 176.83 178.10 3d29 h VAL 82 N 0.18 1.29 0.11 2.23 2.07 -1.05 -0.09 116.25 120.99 3d29 h VAL 82 Ca -0.15 -1.35 -0.00 0.00 0.82 0.00 0.00 66.70 66.02 3d29 h VAL 82 Cb 1.87 1.38 -0.00 0.00 -1.52 0.00 0.00 31.29 33.02 3d29 h VAL 82 CO 0.21 0.45 -0.07 -0.26 0.02 0.00 0.00 177.57 177.92 3d29 h PHE 83 N 0.57 -0.17 -0.85 1.57 0.04 -1.49 -1.87 116.94 114.73 3d29 h PHE 83 Ca 0.07 -0.00 0.07 0.00 2.80 0.00 0.00 57.97 60.91 3d29 h PHE 83 Cb 0.77 0.06 -0.06 0.00 2.20 0.00 0.00 35.95 38.92 3d29 h PHE 83 CO 0.06 -0.11 0.52 -0.22 -0.60 0.00 0.00 178.31 177.97 3d29 h LYS 84 N -0.17 0.91 -0.28 1.51 3.11 -1.26 0.13 116.57 120.52 3d29 h LYS 84 Ca -0.01 -0.05 -0.01 0.00 -2.81 0.00 0.00 60.65 57.76 3d29 h LYS 84 Cb 0.14 -0.20 -0.01 0.00 -1.00 0.00 0.00 32.23 31.16 3d29 h LYS 84 CO 0.01 0.60 0.13 1.49 -2.81 0.00 0.00 179.45 178.88 3d29 h GLU 85 N 0.93 0.40 -0.48 1.90 4.57 -0.76 0.73 114.58 121.88 3d29 h GLU 85 Ca 0.38 -0.06 -0.03 0.00 -1.18 0.00 0.00 59.36 58.47 3d29 h GLU 85 Cb 0.20 -0.07 -0.02 0.00 -0.16 0.00 0.00 28.75 28.70 3d29 h GLU 85 CO -0.19 0.39 0.19 -0.07 -1.18 0.00 0.00 179.01 178.16 3d29 h LEU 86 N 0.32 0.67 -0.60 1.64 3.38 -0.70 -2.16 115.31 117.86 3d29 h LEU 86 Ca 0.10 -0.17 -0.14 0.00 0.09 0.00 0.00 57.88 57.76 3d29 h LEU 86 Cb 0.12 -0.17 -0.01 0.00 0.09 0.00 0.00 40.66 40.69 3d29 h LEU 86 CO -0.01 0.66 -0.35 0.00 0.09 0.00 0.00 178.44 178.83 3d29 h TYR 88 N 0.60 -0.17 -0.19 0.00 5.03 -0.82 -2.22 116.97 119.20 3d29 h TYR 88 Ca 0.06 -0.00 0.05 0.00 2.58 0.00 0.00 58.73 61.42 3d29 h TYR 88 Cb 0.88 0.06 -0.01 0.00 1.55 0.00 0.00 36.73 39.21 3d29 h TYR 88 CO 0.04 0.29 0.19 1.49 -1.32 0.00 0.00 178.16 178.86 3d29 h GLU 89 N -0.86 0.00 -0.10 1.82 4.57 -1.50 -2.10 114.58 116.42 3d29 h GLU 89 Ca -0.02 0.00 -0.03 0.00 -1.18 0.00 0.00 59.36 58.13 3d29 h GLU 89 Cb 0.54 0.00 -0.02 0.00 -0.16 0.00 0.00 28.75 29.11 3d29 h GLU 89 CO 0.03 0.00 -0.17 0.09 -1.18 0.00 0.00 179.01 177.78 3d29 n ASN 90 N -3.93 2.38 -0.19 1.04 3.02 -1.05 -4.81 115.26 111.73 3d29 n ASN 90 Ca 0.02 -3.47 0.27 0.00 -0.03 0.00 0.00 54.58 51.37 3d29 n ASN 90 Cb 0.31 -0.52 0.70 0.00 -0.61 0.00 0.00 39.78 39.66 3d29 n ASN 90 CO 0.00 0.00 0.00 0.07 -2.62 0.00 0.00 177.26 174.71 3d29 h LYS 91 N 0.75 0.05 0.00 3.52 2.10 -0.72 -0.69 116.57 121.58 3d29 h LYS 91 Ca 0.04 -0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.69 3d29 h LYS 91 Cb 1.18 -0.01 0.00 0.00 -0.90 0.00 0.00 32.23 32.50 3d29 h LYS 91 CO 0.10 0.03 0.00 -0.44 -2.00 0.00 0.00 179.45 177.14 3d29 h ASP 92 N 0.05 0.00 0.00 7.07 3.45 -1.87 -3.27 116.42 121.85 3d29 h ASP 92 Ca 0.43 0.00 -0.00 0.00 0.43 0.00 0.00 57.03 57.89 3d29 h ASP 92 Cb 1.64 0.00 -0.01 0.00 -0.56 0.00 0.00 39.33 40.40 3d29 h ASP 92 CO -0.03 0.00 -0.20 0.59 -1.57 0.00 0.00 179.24 178.04 3d29 n ASN 94 N -2.38 1.56 -4.15 6.45 3.02 -0.29 -5.05 115.26 114.43 3d29 n ASN 94 Ca 0.03 -2.76 -0.16 0.00 -0.03 0.00 0.00 54.58 51.66 3d29 n ASN 94 Cb 0.32 -0.36 -0.12 0.00 -0.61 0.00 0.00 39.78 39.02 3d29 n ASN 94 CO 0.00 0.00 0.00 -0.76 -2.62 0.00 0.00 177.26 173.88 3d29 s LEU 95 N -1.93 2.30 -0.45 3.41 1.43 -1.10 -5.06 118.68 117.29 3d29 s LEU 95 Ca 0.22 -0.65 0.05 0.00 -1.03 0.00 0.00 54.13 52.72 3d29 s LEU 95 Cb 0.20 -0.39 0.18 0.00 0.03 0.00 0.00 46.19 46.21 3d29 s LEU 95 CO 0.01 -0.15 0.39 0.41 0.23 0.00 0.00 176.35 177.25 3d29 n THR 96 N 1.14 -0.75 -3.81 5.49 -1.04 -1.26 -4.91 114.28 109.14 3d29 n THR 96 Ca -0.20 -3.70 -0.27 0.00 -2.04 0.00 0.00 64.05 57.84 3d29 n THR 96 Cb 0.55 -1.76 -0.17 0.00 -1.82 0.00 0.00 70.33 67.13 3d29 n THR 96 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 3d29 s ALA 97 N -0.33 1.13 -0.39 2.41 0.00 -1.26 -0.13 121.76 123.18 3d29 s ALA 97 Ca 0.32 -0.63 -0.11 0.00 0.00 0.00 0.00 51.96 51.55 3d29 s ALA 97 Cb 0.05 -1.06 0.05 0.00 0.00 0.00 0.00 23.12 22.15 3d29 s ALA 97 CO -0.18 -0.86 0.23 0.20 0.00 0.00 0.00 175.76 175.15 3d29 s GLY 98 N 1.79 1.95 -0.04 0.00 0.00 -0.44 -4.33 107.32 106.24 3d29 s GLY 98 Ca 0.01 -1.88 0.07 0.00 0.00 0.00 0.00 44.72 42.92 3d29 s GLY 98 CO -0.07 0.90 -0.25 -0.42 0.00 0.00 0.00 173.10 173.26 3d29 s ILE 99 N 1.51 2.12 -0.19 0.90 1.01 -0.41 -1.89 121.20 124.26 3d29 s ILE 99 Ca 0.02 -1.06 -0.05 0.00 0.00 0.00 0.00 60.65 59.56 3d29 s ILE 99 Cb -0.21 -1.75 -0.03 0.00 0.01 0.00 0.00 42.46 40.48 3d29 s ILE 99 CO 0.05 0.58 -0.01 -0.63 0.00 0.00 0.00 174.94 174.93 3d29 s ILE 100 N -0.39 4.00 -0.18 2.92 -1.09 -0.66 -0.08 121.20 125.73 3d29 s ILE 100 Ca 0.03 -0.30 -0.05 0.00 -2.23 0.00 0.00 60.65 58.10 3d29 s ILE 100 Cb -0.12 -2.79 -0.03 0.00 -1.58 0.00 0.00 42.46 37.94 3d29 s ILE 100 CO 0.01 0.45 -0.01 -0.69 -1.23 0.00 0.00 174.94 173.47 3d29 s VAL 101 N 0.77 4.01 -0.02 2.92 1.01 0.21 -0.68 120.40 128.61 3d29 s VAL 101 Ca 0.00 -0.31 0.01 0.00 0.00 0.00 0.00 61.98 61.69 3d29 s VAL 101 Cb -0.14 -2.79 0.01 0.00 0.00 0.00 0.00 36.38 33.46 3d29 s VAL 101 CO 0.02 0.46 -0.04 0.00 0.00 0.00 0.00 175.10 175.54 3d29 s ALA 102 N 0.63 0.48 0.06 5.51 0.00 -0.30 0.16 121.76 128.29 3d29 s ALA 102 Ca -0.01 -0.11 -0.13 0.00 0.00 0.00 0.00 51.96 51.71 3d29 s ALA 102 Cb -0.14 -0.23 0.02 0.00 0.00 0.00 0.00 23.12 22.77 3d29 s ALA 102 CO 0.02 0.05 0.28 0.20 0.00 0.00 0.00 175.76 176.31 3d29 s GLY 103 N 0.34 -0.08 -0.16 0.00 0.00 -0.88 -0.24 107.32 106.29 3d29 s GLY 103 Ca -0.04 -0.14 -0.03 0.00 0.00 0.00 0.00 44.72 44.52 3d29 s GLY 103 CO -0.00 -0.35 -0.06 -0.47 0.00 0.00 0.00 173.10 172.22 3d29 s TYR 104 N -2.89 2.95 0.06 1.90 6.14 0.03 -1.72 117.35 123.82 3d29 s TYR 104 Ca -0.03 -0.48 0.07 0.00 0.64 0.00 0.00 57.07 57.28 3d29 s TYR 104 Cb 0.00 -1.95 -0.03 0.00 0.42 0.00 0.00 41.96 40.41 3d29 s TYR 104 CO -0.06 -0.15 -0.19 0.34 0.64 0.00 0.00 175.55 176.13 3d29 s ASP 105 N 0.51 2.33 0.25 4.32 2.15 0.18 -4.84 116.67 121.57 3d29 s ASP 105 Ca -0.05 -0.56 -0.00 0.00 0.43 0.00 0.00 52.55 52.38 3d29 s ASP 105 Cb -0.15 -0.17 0.32 0.00 -0.30 0.00 0.00 42.92 42.62 3d29 s ASP 105 CO 0.03 0.11 1.68 -0.78 -0.17 0.00 0.00 175.17 176.03 3d29 h ASP 10 N 4.66 0.58 0.20 -0.34 3.58 -1.99 0.46 116.42 123.57 3d29 h ASP 10 Ca -0.43 -0.21 -0.35 0.00 0.42 0.00 0.00 57.03 56.46 3d29 h ASP 10 Cb 1.17 -0.16 -0.01 0.00 1.72 0.00 0.00 39.33 42.05 3d29 h ASP 10 CO 0.43 0.83 -1.85 0.50 -2.88 0.00 0.00 179.24 176.26 3d29 h LYS 10 N 0.50 0.29 -0.00 0.28 3.11 -2.05 -3.37 116.57 115.34 3d29 h LYS 10 Ca 0.07 -0.50 0.00 0.00 -2.81 0.00 0.00 60.65 57.41 3d29 h LYS 10 Cb 0.72 0.19 0.00 0.00 -1.00 0.00 0.00 32.23 32.14 3d29 h LYS 10 CO 0.06 1.20 -0.76 0.09 -2.81 0.00 0.00 179.45 177.22 3d29 n ASN 106 N -3.49 0.78 0.00 4.20 3.02 -1.24 -5.04 115.26 113.50 3d29 n ASN 106 Ca -0.27 -0.67 0.00 0.00 -0.03 0.00 0.00 54.58 53.61 3d29 n ASN 106 Cb 1.06 0.65 0.00 0.00 -0.61 0.00 0.00 39.78 40.88 3d29 n ASN 106 CO 0.00 0.00 0.00 1.17 -2.62 0.00 0.00 177.26 175.81 3d29 n LYS 107 N -1.48 0.00 -3.86 3.52 4.81 0.16 -4.69 118.16 116.62 3d29 n LYS 107 Ca 0.05 0.00 -0.36 0.00 -0.87 0.00 0.00 58.31 57.13 3d29 n LYS 107 Cb 0.33 0.00 -0.06 0.00 0.02 0.00 0.00 35.03 35.33 3d29 n LYS 107 CO 0.00 0.00 0.00 0.20 1.17 0.00 0.00 177.40 178.77 3d29 s GLY 108 N 0.00 2.18 0.01 3.14 0.00 -1.25 0.49 107.32 111.89 3d29 s GLY 108 Ca 0.00 -0.65 0.01 0.00 0.00 0.00 0.00 44.72 44.08 3d29 s GLY 108 CO 0.00 -0.42 -0.04 -0.54 0.00 0.00 0.00 173.10 172.10 3d29 s GLU 109 N -1.29 0.30 -0.06 2.90 2.02 -0.70 -4.96 118.70 116.91 3d29 s GLU 109 Ca 0.19 -0.30 0.01 0.00 0.02 0.00 0.00 54.97 54.90 3d29 s GLU 109 Cb -0.12 -0.18 0.02 0.00 0.10 0.00 0.00 34.13 33.94 3d29 s GLU 109 CO 0.09 0.04 -0.07 0.08 0.02 0.00 0.00 175.26 175.42 3d29 s VAL 110 N -0.52 0.77 -0.11 2.63 1.01 -1.25 -2.07 120.40 120.86 3d29 s VAL 110 Ca -0.04 -0.25 0.01 0.00 0.00 0.00 0.00 61.98 61.71 3d29 s VAL 110 Cb -0.04 -0.75 0.02 0.00 0.00 0.00 0.00 36.38 35.60 3d29 s VAL 110 CO -0.00 0.28 -0.13 -0.31 0.00 0.00 0.00 175.10 174.94 3d29 s TYR 111 N 0.90 1.83 -0.16 5.22 1.51 0.12 -1.12 117.35 125.66 3d29 s TYR 111 Ca -0.11 -0.89 -0.06 0.00 -1.01 0.00 0.00 57.07 55.00 3d29 s TYR 111 Cb -0.15 -1.37 -0.04 0.00 -0.11 0.00 0.00 41.96 40.30 3d29 s TYR 111 CO 0.01 -0.50 0.04 -0.08 -1.11 0.00 0.00 175.55 173.91 3d29 s THR 112 N 1.21 4.61 -0.44 -0.71 -1.32 0.16 0.66 115.64 119.81 3d29 s THR 112 Ca -0.03 -0.11 0.04 0.00 -1.21 0.00 0.00 61.69 60.38 3d29 s THR 112 Cb -0.14 -3.04 0.12 0.00 -1.51 0.00 0.00 72.50 67.93 3d29 s THR 112 CO -0.04 0.50 0.17 -0.63 -2.21 0.00 0.00 174.62 172.41 3d29 s ILE 113 N 0.03 2.36 1.16 5.08 1.01 0.89 -1.01 121.20 130.72 3d29 s ILE 113 Ca 0.05 -2.84 -0.19 0.00 0.00 0.00 0.00 60.65 57.67 3d29 s ILE 113 Cb -0.12 -2.69 0.27 0.00 0.01 0.00 0.00 42.46 39.93 3d29 s ILE 113 CO 0.01 -0.72 1.16 -2.16 0.00 0.00 0.00 174.94 173.23 3d29 s PRO 114 N 0.28 -0.88 0.22 2.79 0.04 -1.25 -1.29 135.00 134.92 3d29 s PRO 114 Ca 0.14 -0.17 -0.13 0.00 0.04 0.00 0.00 61.00 60.88 3d29 s PRO 114 Cb -0.23 -1.65 0.28 0.00 0.04 0.00 0.00 34.50 32.94 3d29 s PRO 114 CO -0.04 -3.47 1.61 -0.07 0.04 0.00 0.00 177.00 175.07 3d29 h LEU 115 N -2.40 -0.72 -1.96 -3.56 4.07 -1.94 -2.40 115.31 106.40 3d29 h LEU 115 Ca -0.44 0.22 0.05 0.00 0.08 0.00 0.00 57.88 57.78 3d29 h LEU 115 Cb 1.28 0.46 -0.01 0.00 1.08 0.00 0.00 40.66 43.47 3d29 h LEU 115 CO 0.34 -0.25 0.14 1.23 -1.08 0.00 0.00 178.44 178.82 3d29 h GLY 116 N -0.02 0.05 0.00 0.83 0.00 -1.93 -3.46 103.07 98.55 3d29 h GLY 116 Ca 0.34 -0.02 0.00 0.00 0.00 0.00 0.00 47.33 47.65 3d29 h GLY 116 CO -0.74 0.01 0.00 0.61 0.00 0.00 0.00 176.54 176.42 3d29 n GLY 117 N -1.56 1.31 3.90 4.60 0.00 -0.90 -4.55 105.19 107.98 3d29 n GLY 117 Ca 0.01 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.75 3d29 n GLY 117 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3d29 s SER 118 N -1.96 5.43 0.05 1.61 1.04 -1.26 -4.38 113.70 114.22 3d29 s SER 118 Ca 0.00 0.93 0.09 0.00 0.48 0.00 0.00 55.95 57.44 3d29 s SER 118 Cb 0.00 -1.77 -0.03 0.00 0.10 0.00 0.00 66.02 64.32 3d29 s SER 118 CO 0.00 -1.28 -0.25 -0.69 0.98 0.00 0.00 173.24 172.01 3d29 s VAL 119 N -3.23 2.00 -0.08 5.02 1.01 -1.26 -3.75 120.40 120.11 3d29 s VAL 119 Ca 0.57 -1.34 -0.03 0.00 0.00 0.00 0.00 61.98 61.18 3d29 s VAL 119 Cb -0.11 -1.72 0.04 0.00 0.00 0.00 0.00 36.38 34.60 3d29 s VAL 119 CO 0.49 0.31 0.13 -1.00 0.00 0.00 0.00 175.10 175.03 3d29 s HIS 120 N -0.81 -0.09 -0.20 5.22 3.76 -0.18 -4.97 115.29 118.03 3d29 s HIS 120 Ca 0.10 0.44 -0.18 0.00 -0.15 0.00 0.00 55.06 55.27 3d29 s HIS 120 Cb -0.10 -0.35 -0.03 0.00 1.11 0.00 0.00 32.58 33.21 3d29 s HIS 120 CO 0.02 -0.28 0.51 0.21 -0.85 0.00 0.00 174.74 174.35 3d29 s LYS 121 N 2.25 4.20 0.20 1.40 2.20 -1.26 0.36 119.74 129.08 3d29 s LYS 121 Ca 0.04 0.40 -0.02 0.00 -0.36 0.00 0.00 55.97 56.03 3d29 s LYS 121 Cb -0.12 -3.55 -0.04 0.00 -1.51 0.00 0.00 37.83 32.60 3d29 s LYS 121 CO -0.05 -0.13 0.14 -0.51 -0.36 0.00 0.00 175.35 174.44 3d29 s LEU 122 N 1.56 1.17 0.34 5.43 1.43 -0.27 -5.00 118.68 123.33 3d29 s LEU 122 Ca 0.24 -1.34 0.12 0.00 -1.03 0.00 0.00 54.13 52.11 3d29 s LEU 122 Cb -0.15 0.45 0.61 0.00 0.03 0.00 0.00 46.19 47.12 3d29 s LEU 122 CO 0.10 -0.85 1.76 -0.65 0.23 0.00 0.00 176.35 176.94 3d29 h PRO 123 N 2.62 0.02 -2.30 1.29 0.11 -1.95 -3.32 132.00 128.48 3d29 h PRO 123 Ca -0.35 -0.01 0.13 0.00 0.11 0.00 0.00 66.00 65.87 3d29 h PRO 123 Cb 1.24 -0.00 -0.13 0.00 0.11 0.00 0.00 31.00 32.22 3d29 h PRO 123 CO 0.53 0.45 0.49 1.52 -0.21 0.00 0.00 178.00 180.78 3d29 s TYR 124 N -4.04 -0.29 -0.02 0.65 -0.85 -1.26 -1.40 117.35 110.14 3d29 s TYR 124 Ca -0.03 0.11 -0.20 0.00 -0.52 0.00 0.00 57.07 56.44 3d29 s TYR 124 Cb 0.14 0.57 0.04 0.00 0.38 0.00 0.00 41.96 43.08 3d29 s TYR 124 CO 0.74 -0.62 0.42 0.00 -1.52 0.00 0.00 175.55 174.57 3d29 s ALA 125 N -3.17 -1.08 0.12 9.51 0.00 -0.50 -4.99 121.76 121.64 3d29 s ALA 125 Ca 0.07 0.59 0.08 0.00 0.00 0.00 0.00 51.96 52.71 3d29 s ALA 125 Cb -0.01 0.09 -0.04 0.00 0.00 0.00 0.00 23.12 23.16 3d29 s ALA 125 CO -0.06 -0.31 -0.21 0.96 0.00 0.00 0.00 175.76 176.14 3d29 s ILE 126 N -1.42 1.75 0.29 0.00 -4.36 -1.26 -1.46 121.20 114.74 3d29 s ILE 126 Ca -0.12 -1.62 -0.20 0.00 -0.26 0.00 0.00 60.65 58.45 3d29 s ILE 126 Cb -0.03 -1.63 0.02 0.00 1.25 0.00 0.00 42.46 42.07 3d29 s ILE 126 CO 0.05 -0.11 0.71 0.00 0.24 0.00 0.00 174.94 175.83 3d29 s ALA 127 N -1.34 -1.08 0.00 2.27 0.00 0.63 -4.97 121.76 117.27 3d29 s ALA 127 Ca 0.08 -0.41 0.00 0.00 0.00 0.00 0.00 51.96 51.63 3d29 s ALA 127 Cb -0.09 0.85 0.00 0.00 0.00 0.00 0.00 23.12 23.88 3d29 s ALA 127 CO 0.05 -1.02 0.00 0.41 0.00 0.00 0.00 175.76 175.20 3d29 n GLY 128 N -0.46 2.11 0.40 0.00 0.00 -1.26 -1.40 105.19 104.59 3d29 n GLY 128 Ca -0.04 -1.91 0.20 0.00 0.00 0.00 0.00 46.02 44.27 3d29 n GLY 128 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 3d29 h SER 129 N 0.00 0.19 1.75 1.61 4.64 -1.64 0.06 113.55 120.17 3d29 h SER 129 Ca 0.00 0.01 0.00 0.00 -0.47 0.00 0.00 61.79 61.33 3d29 h SER 129 Cb 0.00 -0.02 0.00 0.00 -0.31 0.00 0.00 62.40 62.07 3d29 h SER 129 CO 0.00 0.09 0.00 1.23 -0.87 0.00 0.00 176.83 177.28 3d29 h GLY 130 N 0.20 0.00 1.13 -0.77 0.00 -1.32 -3.33 103.07 98.98 3d29 h GLY 130 Ca 0.36 0.00 0.06 0.00 0.00 0.00 0.00 47.33 47.75 3d29 h GLY 130 CO -0.07 0.00 0.44 1.48 0.00 0.00 0.00 176.54 178.39 3d29 h SER 131 N 0.00 0.62 -1.00 0.19 4.64 -1.11 -2.92 113.55 113.97 3d29 h SER 131 Ca 0.00 -0.00 0.17 0.00 -0.47 0.00 0.00 61.79 61.49 3d29 h SER 131 Cb 0.88 -0.13 -0.10 0.00 -0.31 0.00 0.00 62.40 62.73 3d29 h SER 131 CO 0.00 0.41 0.62 0.71 -0.87 0.00 0.00 176.83 177.70 3d29 h THR 132 N 0.71 0.76 0.00 2.95 1.35 -1.72 -1.47 112.91 115.49 3d29 h THR 132 Ca 0.28 -0.28 0.00 0.00 -0.55 0.00 0.00 66.41 65.87 3d29 h THR 132 Cb 0.22 -0.12 0.00 0.00 -1.73 0.00 0.00 68.15 66.51 3d29 h THR 132 CO -0.09 0.15 0.00 -0.26 -0.25 0.00 0.00 175.52 175.07 3d29 h PHE 133 N 0.82 0.00 -0.13 4.73 0.04 -1.79 -3.19 116.94 117.41 3d29 h PHE 133 Ca 0.55 0.00 -0.03 0.00 2.80 0.00 0.00 57.97 61.29 3d29 h PHE 133 Cb 0.80 0.00 -0.02 0.00 2.20 0.00 0.00 35.95 38.93 3d29 h PHE 133 CO -0.00 0.00 -0.08 0.44 -0.60 0.00 0.00 178.31 178.06 3d29 n ILE 134 N -2.46 2.16 -0.04 -0.55 -5.35 -0.56 -4.70 119.36 107.86 3d29 n ILE 134 Ca 0.02 -2.37 -0.12 0.00 -0.27 0.00 0.00 62.75 60.00 3d29 n ILE 134 Cb 0.25 -0.26 -0.07 0.00 -1.74 0.00 0.00 39.64 37.82 3d29 n ILE 134 CO 0.00 0.00 0.00 1.88 -1.76 0.00 0.00 176.55 176.67 3d29 h TYR 135 N 0.83 0.26 -0.18 4.28 0.05 -1.54 -1.31 116.97 119.37 3d29 h TYR 135 Ca 0.04 -0.05 -0.03 0.00 0.05 0.00 0.00 58.73 58.74 3d29 h TYR 135 Cb 1.24 -0.07 -0.01 0.00 1.01 0.00 0.00 36.73 38.90 3d29 h TYR 135 CO 0.42 0.49 -0.00 0.78 -1.05 0.00 0.00 178.16 178.79 3d29 h GLY 136 N -0.04 0.34 0.56 3.88 0.00 -1.85 -1.48 103.07 104.47 3d29 h GLY 136 Ca 0.04 -0.25 0.02 0.00 0.00 0.00 0.00 47.33 47.14 3d29 h GLY 136 CO 0.01 0.23 -0.21 -1.82 0.00 0.00 0.00 176.54 174.75 3d29 h TYR 137 N 0.06 -0.56 -0.47 5.60 3.20 -1.84 -1.24 116.97 121.72 3d29 h TYR 137 Ca 0.05 0.02 -0.05 0.00 3.14 0.00 0.00 58.73 61.89 3d29 h TYR 137 Cb 0.39 0.24 -0.02 0.00 1.54 0.00 0.00 36.73 38.88 3d29 h TYR 137 CO 0.03 -0.30 0.10 0.00 -1.64 0.00 0.00 178.16 176.35 3d29 h ASP 139 N 0.69 0.20 1.11 0.00 -0.00 -0.91 -1.86 116.42 115.65 3d29 h ASP 139 Ca 0.15 -0.08 0.00 0.00 -0.00 0.00 0.00 57.03 57.10 3d29 h ASP 139 Cb 0.28 -0.06 0.00 0.00 -0.00 0.00 0.00 39.33 39.56 3d29 h ASP 139 CO 0.00 0.59 -0.49 0.11 -0.00 0.00 0.00 179.24 179.45 3d29 h LYS 140 N 0.16 0.00 -0.01 0.28 1.79 -0.74 -3.37 116.57 114.69 3d29 h LYS 140 Ca 0.01 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.48 3d29 h LYS 140 Cb 0.79 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.44 3d29 h LYS 140 CO 0.06 0.00 -0.04 0.09 -1.08 0.00 0.00 179.45 178.48 3d29 n ASN 141 N -2.31 1.27 -4.81 0.86 4.13 -0.37 -5.01 115.26 109.01 3d29 n ASN 141 Ca 0.03 -1.14 -0.37 0.00 1.68 0.00 0.00 54.58 54.79 3d29 n ASN 141 Cb 0.46 0.16 -0.06 0.00 -1.54 0.00 0.00 39.78 38.80 3d29 n ASN 141 CO 0.00 0.00 0.00 0.12 0.28 0.00 0.00 177.26 177.66 3d29 s PHE 142 N -0.62 3.72 -0.00 3.10 5.36 -0.71 -5.04 117.98 123.78 3d29 s PHE 142 Ca 0.06 1.35 -0.02 0.00 -0.96 0.00 0.00 56.93 57.35 3d29 s PHE 142 Cb 0.05 -2.57 -0.01 0.00 -0.34 0.00 0.00 43.02 40.15 3d29 s PHE 142 CO 0.09 0.43 0.04 1.03 -1.46 0.00 0.00 175.22 175.36 3d29 s ARG 143 N -1.66 0.26 0.54 10.12 0.52 -1.26 -5.02 118.95 122.45 3d29 s ARG 143 Ca 0.38 -0.30 -0.16 0.00 -0.52 0.00 0.00 55.73 55.13 3d29 s ARG 143 Cb -0.18 0.10 -0.06 0.00 0.52 0.00 0.00 34.95 35.33 3d29 s ARG 143 CO 0.21 -0.05 1.01 -1.21 0.02 0.00 0.00 175.30 175.28 3d29 s GLU 144 N -0.88 3.73 -1.50 3.54 2.02 -1.26 -4.12 118.70 120.23 3d29 s GLU 144 Ca -0.10 1.04 -0.09 0.00 0.02 0.00 0.00 54.97 55.85 3d29 s GLU 144 Cb -0.06 -2.10 0.06 0.00 0.10 0.00 0.00 34.13 32.14 3d29 s GLU 144 CO -0.00 -0.46 0.72 0.09 0.02 0.00 0.00 175.26 175.63 3d29 n ASN 145 N -1.73 -2.48 -4.07 -0.19 4.13 -1.26 -4.93 115.26 104.73 3d29 n ASN 145 Ca 0.07 -0.91 -0.30 0.00 1.68 0.00 0.00 54.58 55.12 3d29 n ASN 145 Cb 0.54 -3.38 0.21 0.00 -1.54 0.00 0.00 39.78 35.60 3d29 n ASN 145 CO 0.00 0.00 0.00 -0.04 0.28 0.00 0.00 177.26 177.50 3d29 s MET 146 N -6.57 -0.26 0.46 3.52 -1.94 -1.26 -4.14 119.30 109.12 3d29 s MET 146 Ca 0.38 -0.13 0.01 0.00 -1.71 0.00 0.00 55.69 54.24 3d29 s MET 146 Cb -0.20 -1.71 0.01 0.00 2.01 0.00 0.00 34.83 34.93 3d29 s MET 146 CO 0.87 -3.06 0.67 -1.54 -0.01 0.00 0.00 175.02 171.95 3d29 s SER 147 N -4.24 5.70 0.26 3.03 1.04 -1.26 -0.96 113.70 117.27 3d29 s SER 147 Ca 0.71 0.14 -0.02 0.00 0.48 0.00 0.00 55.95 57.26 3d29 s SER 147 Cb -0.09 -1.30 0.55 0.00 0.10 0.00 0.00 66.02 65.28 3d29 s SER 147 CO 0.55 -0.79 1.71 0.50 0.98 0.00 0.00 173.24 176.19 3d29 h LYS 148 N 0.38 0.39 -0.36 4.02 3.64 -1.98 -0.33 116.57 122.33 3d29 h LYS 148 Ca -0.45 -0.02 -0.06 0.00 -1.27 0.00 0.00 60.65 58.85 3d29 h LYS 148 Cb 1.27 -0.09 -0.01 0.00 -0.41 0.00 0.00 32.23 32.98 3d29 h LYS 148 CO 0.55 0.26 -0.01 0.93 -2.27 0.00 0.00 179.45 178.91 3d29 h GLU 149 N 0.41 0.64 -0.46 1.90 5.08 -1.99 -1.36 114.58 118.79 3d29 h GLU 149 Ca 0.46 -0.21 -0.05 0.00 -1.00 0.00 0.00 59.36 58.56 3d29 h GLU 149 Cb 0.78 -0.06 -0.02 0.00 0.50 0.00 0.00 28.75 29.95 3d29 h GLU 149 CO -0.47 0.76 0.08 0.93 -1.00 0.00 0.00 179.01 179.32 3d29 h GLU 150 N 0.45 0.71 -0.09 2.33 5.08 -1.68 -1.95 114.58 119.44 3d29 h GLU 150 Ca 0.10 -0.15 -0.05 0.00 -1.00 0.00 0.00 59.36 58.27 3d29 h GLU 150 Cb 0.48 -0.11 -0.00 0.00 0.50 0.00 0.00 28.75 29.62 3d29 h GLU 150 CO 0.02 0.67 -0.13 1.15 -1.00 0.00 0.00 179.01 179.72 3d29 h THR 151 N 0.69 1.38 -0.78 1.13 2.02 -0.99 -1.02 112.91 115.35 3d29 h THR 151 Ca 0.15 -1.35 0.08 0.00 0.77 0.00 0.00 66.41 66.06 3d29 h THR 151 Cb 0.30 2.06 -0.05 0.00 -1.74 0.00 0.00 68.15 68.72 3d29 h THR 151 CO 0.00 0.38 0.51 0.58 0.37 0.00 0.00 175.52 177.36 3d29 h VAL 152 N -0.19 1.00 -0.28 3.16 2.07 -1.10 -0.74 116.25 120.17 3d29 h VAL 152 Ca 0.01 -0.27 -0.19 0.00 0.82 0.00 0.00 66.70 67.07 3d29 h VAL 152 Cb 0.68 0.15 0.00 0.00 -1.52 0.00 0.00 31.29 30.60 3d29 h VAL 152 CO 0.03 0.14 -0.57 0.44 0.02 0.00 0.00 177.57 177.63 3d29 h ASP 153 N 0.78 0.99 -0.22 0.57 3.45 -1.24 -0.28 116.42 120.46 3d29 h ASP 153 Ca 0.34 -0.54 -0.00 0.00 0.43 0.00 0.00 57.03 57.26 3d29 h ASP 153 Cb 0.32 -0.28 -0.01 0.00 -0.56 0.00 0.00 39.33 38.80 3d29 h ASP 153 CO -0.12 1.35 0.13 0.15 -1.57 0.00 0.00 179.24 179.17 3d29 h PHE 154 N 0.67 0.29 -0.49 4.55 3.57 -0.42 0.15 116.94 125.26 3d29 h PHE 154 Ca 0.01 -0.00 -0.11 0.00 3.53 0.00 0.00 57.97 61.39 3d29 h PHE 154 Cb 1.19 -0.09 -0.02 0.00 2.79 0.00 0.00 35.95 39.81 3d29 h PHE 154 CO 0.07 0.23 -0.14 0.82 -2.23 0.00 0.00 178.31 177.06 3d29 h ILE 155 N 0.27 1.27 -0.50 1.41 2.04 -1.16 0.06 117.51 120.89 3d29 h ILE 155 Ca 0.08 -1.28 -0.08 0.00 1.00 0.00 0.00 64.86 64.57 3d29 h ILE 155 Cb 0.03 1.04 -0.02 0.00 -0.74 0.00 0.00 36.82 37.13 3d29 h ILE 155 CO -0.01 0.44 -0.02 0.50 0.00 0.00 0.00 178.15 179.06 3d29 h LYS 156 N 0.83 0.89 0.06 2.37 3.64 -0.81 -1.35 116.57 122.21 3d29 h LYS 156 Ca 0.12 -0.29 -0.00 0.00 -1.27 0.00 0.00 60.65 59.21 3d29 h LYS 156 Cb 0.69 -0.08 0.00 0.00 -0.41 0.00 0.00 32.23 32.43 3d29 h LYS 156 CO 0.05 0.93 -0.03 0.45 -2.27 0.00 0.00 179.45 178.58 3d29 h HIS 157 N 0.76 -0.08 -0.17 1.91 3.86 -0.87 -2.06 115.15 118.50 3d29 h HIS 157 Ca 0.14 -0.00 0.04 0.00 -1.16 0.00 0.00 60.37 59.39 3d29 h HIS 157 Cb 0.54 0.03 -0.05 0.00 1.06 0.00 0.00 27.41 28.99 3d29 h HIS 157 CO 0.04 0.34 -0.12 0.77 0.86 0.00 0.00 177.93 179.82 3d29 h SER 158 N -0.53 -0.38 0.67 2.45 0.02 -0.97 -2.17 113.55 112.64 3d29 h SER 158 Ca -0.01 0.08 -0.07 0.00 -0.84 0.00 0.00 61.79 60.95 3d29 h SER 158 Cb 0.46 0.20 -0.01 0.00 0.14 0.00 0.00 62.40 63.19 3d29 h SER 158 CO 0.01 -0.16 -0.33 -0.07 -1.14 0.00 0.00 176.83 175.15 3d29 h LEU 159 N -0.12 0.00 -0.63 5.07 3.38 -1.32 -1.66 115.31 120.02 3d29 h LEU 159 Ca 0.10 0.00 -0.14 0.00 0.09 0.00 0.00 57.88 57.93 3d29 h LEU 159 Cb 0.27 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.01 3d29 h LEU 159 CO -0.24 0.33 -0.47 0.77 0.09 0.00 0.00 178.44 178.91 3d29 h SER 160 N 0.00 0.56 -0.36 -0.43 4.64 -0.82 -0.28 113.55 116.85 3d29 h SER 160 Ca -0.00 -0.27 -0.11 0.00 -0.47 0.00 0.00 61.79 60.94 3d29 h SER 160 Cb 0.75 -0.16 -0.01 0.00 -0.31 0.00 0.00 62.40 62.68 3d29 h SER 160 CO 0.04 0.94 -0.21 1.56 -0.87 0.00 0.00 176.83 178.30 3d29 h GLN 161 N 0.41 0.78 -0.52 4.77 1.08 -1.06 -0.10 115.11 120.47 3d29 h GLN 161 Ca 0.02 -0.35 0.01 0.00 -1.45 0.00 0.00 58.65 56.88 3d29 h GLN 161 Cb 0.98 -0.01 -0.03 0.00 -0.05 0.00 0.00 27.48 28.37 3d29 h GLN 161 CO 0.09 0.98 0.33 0.00 -0.95 0.00 0.00 178.83 179.28 3d29 h ALA 162 N 0.78 0.66 -0.33 3.87 0.00 -1.09 -1.65 119.26 121.50 3d29 h ALA 162 Ca 0.08 -0.03 -0.06 0.00 0.00 0.00 0.00 54.91 54.89 3d29 h ALA 162 Cb 0.76 -0.19 -0.02 0.00 0.00 0.00 0.00 17.79 18.34 3d29 h ALA 162 CO 0.06 0.07 -0.07 0.82 0.00 0.00 0.00 179.25 180.14 3d29 h ILE 163 N 0.67 1.22 -0.71 0.00 2.04 -0.93 -1.16 117.51 118.64 3d29 h ILE 163 Ca 0.19 -0.93 -0.04 0.00 1.00 0.00 0.00 64.86 65.08 3d29 h ILE 163 Cb -0.05 1.04 -0.03 0.00 -0.74 0.00 0.00 36.82 37.04 3d29 h ILE 163 CO -0.06 0.31 0.27 0.50 0.00 0.00 0.00 178.15 179.17 3d29 h LYS 164 N 0.51 1.06 0.00 2.37 3.64 -0.10 -3.31 116.57 120.74 3d29 h LYS 164 Ca 0.10 -0.20 -0.18 0.00 -1.27 0.00 0.00 60.65 59.10 3d29 h LYS 164 Cb 0.43 -0.17 -0.03 0.00 -0.41 0.00 0.00 32.23 32.05 3d29 h LYS 164 CO 0.02 0.89 -1.90 0.91 -2.27 0.00 0.00 179.45 177.10 3d29 n TRP 165 N -4.35 0.37 -3.44 1.91 7.02 -0.83 -4.89 117.44 113.23 3d29 n TRP 165 Ca 0.05 0.12 -0.40 0.00 -1.02 0.00 0.00 57.50 56.26 3d29 n TRP 165 Cb 0.19 -0.89 -0.10 0.00 -2.42 0.00 0.00 31.31 28.09 3d29 n TRP 165 CO 0.00 0.00 0.00 0.34 -2.02 0.00 0.00 177.69 176.01 3d29 s ASP 166 N -5.31 6.16 0.55 -0.99 2.15 -0.45 -4.95 116.67 113.84 3d29 s ASP 166 Ca -0.07 -0.07 0.36 0.00 0.43 0.00 0.00 52.55 53.21 3d29 s ASP 166 Cb 0.09 -2.18 1.77 0.00 -0.30 0.00 0.00 42.92 42.30 3d29 s ASP 166 CO 0.85 -0.24 2.10 1.23 -0.17 0.00 0.00 175.17 178.93 3d29 h GLY 167 N 8.62 0.00 -0.05 2.66 0.00 -1.88 -1.33 103.07 111.09 3d29 h GLY 167 Ca -0.31 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.02 3d29 h GLY 167 CO 0.65 0.00 0.00 1.44 0.00 0.00 0.00 176.54 178.63 3d29 n SER 168 N -2.93 1.06 -4.44 0.19 7.64 -1.26 -4.84 113.62 109.04 3d29 n SER 168 Ca -0.01 -1.37 -0.27 0.00 1.01 0.00 0.00 58.87 58.23 3d29 n SER 168 Cb 0.17 -0.00 -0.11 0.00 -1.01 0.00 0.00 64.21 63.26 3d29 n SER 168 CO 0.00 0.00 0.00 -0.44 -3.01 0.00 0.00 175.04 171.59 3d29 s SER 169 N -1.97 3.53 0.00 6.43 0.01 -0.50 -1.83 113.70 119.37 3d29 s SER 169 Ca 0.40 -0.83 0.00 0.00 1.31 0.00 0.00 55.95 56.83 3d29 s SER 169 Cb 0.21 -0.31 0.00 0.00 0.21 0.00 0.00 66.02 66.13 3d29 s SER 169 CO 0.34 0.12 0.00 0.61 0.41 0.00 0.00 173.24 174.72 3d29 n GLY 170 N 0.25 -0.80 4.78 3.44 0.00 -1.26 -4.82 105.19 106.77 3d29 n GLY 170 Ca -0.12 -1.41 0.00 0.00 0.00 0.00 0.00 46.02 44.48 3d29 n GLY 170 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3d29 n GLY 171 N -0.05 0.54 3.98 -0.02 0.00 -1.26 -1.41 105.19 106.98 3d29 n GLY 171 Ca 0.00 -1.04 -0.20 0.00 0.00 0.00 0.00 46.02 44.78 3d29 n GLY 171 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 3d29 s VAL 172 N 0.00 4.36 -0.22 1.61 -7.23 -1.26 -4.40 120.40 113.25 3d29 s VAL 172 Ca 0.00 -0.96 -0.08 0.00 -1.81 0.00 0.00 61.98 59.13 3d29 s VAL 172 Cb 0.00 -3.52 -0.04 0.00 0.56 0.00 0.00 36.38 33.38 3d29 s VAL 172 CO 0.00 -0.21 0.09 -0.63 -0.31 0.00 0.00 175.10 174.04 3d29 s ILE 173 N -2.15 4.73 0.02 -0.62 1.01 -0.71 -2.59 121.20 120.89 3d29 s ILE 173 Ca 0.43 -0.04 0.02 0.00 0.00 0.00 0.00 60.65 61.06 3d29 s ILE 173 Cb -0.09 -3.18 -0.04 0.00 0.01 0.00 0.00 42.46 39.15 3d29 s ILE 173 CO 0.31 0.38 0.02 -0.13 0.00 0.00 0.00 174.94 175.52 3d29 s ARG 174 N 1.05 2.80 0.04 2.79 0.52 0.63 -1.12 118.95 125.66 3d29 s ARG 174 Ca 0.05 -0.64 0.00 0.00 -0.52 0.00 0.00 55.73 54.62 3d29 s ARG 174 Cb -0.14 -2.68 -0.03 0.00 0.52 0.00 0.00 34.95 32.62 3d29 s ARG 174 CO 0.03 0.61 -0.04 -1.64 0.02 0.00 0.00 175.30 174.28 3d29 s MET 175 N -1.80 0.48 -0.07 3.54 -1.94 -0.15 -1.18 119.30 118.19 3d29 s MET 175 Ca 0.22 -0.88 -0.02 0.00 -1.71 0.00 0.00 55.69 53.30 3d29 s MET 175 Cb -0.12 0.05 0.03 0.00 2.01 0.00 0.00 34.83 36.81 3d29 s MET 175 CO 0.13 -0.05 0.02 0.08 -0.01 0.00 0.00 175.02 175.20 3d29 s VAL 176 N -2.39 0.21 -0.17 -6.03 1.01 -0.19 -0.67 120.40 112.18 3d29 s VAL 176 Ca -0.06 0.19 -0.11 0.00 0.00 0.00 0.00 61.98 62.00 3d29 s VAL 176 Cb -0.03 -0.43 -0.05 0.00 0.00 0.00 0.00 36.38 35.87 3d29 s VAL 176 CO -0.04 0.21 0.21 -0.69 0.00 0.00 0.00 175.10 174.78 3d29 s VAL 177 N 2.04 5.37 -0.20 2.92 1.01 0.92 -1.13 120.40 131.32 3d29 s VAL 177 Ca 0.05 0.36 0.01 0.00 0.00 0.00 0.00 61.98 62.40 3d29 s VAL 177 Cb -0.12 -3.53 0.04 0.00 0.00 0.00 0.00 36.38 32.76 3d29 s VAL 177 CO -0.05 0.45 -0.12 -0.76 0.00 0.00 0.00 175.10 174.63 3d29 s LEU 178 N 0.15 2.37 0.36 3.92 1.02 0.12 -1.93 118.68 124.68 3d29 s LEU 178 Ca 0.13 -0.90 -0.00 0.00 0.02 0.00 0.00 54.13 53.38 3d29 s LEU 178 Cb -0.12 -1.30 0.00 0.00 0.02 0.00 0.00 46.19 44.79 3d29 s LEU 178 CO 0.02 -0.13 0.47 0.42 0.02 0.00 0.00 176.35 177.15 3d29 s THR 179 N 1.35 0.00 0.47 5.49 -4.23 -1.06 -1.56 115.64 116.11 3d29 s THR 179 Ca -0.01 -1.64 0.33 0.00 -1.18 0.00 0.00 61.69 59.19 3d29 s THR 179 Cb -0.16 -2.67 0.36 0.00 1.34 0.00 0.00 72.50 71.36 3d29 s THR 179 CO -0.09 0.00 2.17 0.00 -0.54 0.00 0.00 174.62 176.17 3d29 h ALA 180 N 2.07 1.22 0.00 3.99 0.00 -1.95 -1.56 119.26 123.03 3d29 h ALA 180 Ca -0.28 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 54.59 3d29 h ALA 180 Cb 1.24 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 19.02 3d29 h ALA 180 CO 0.38 0.06 0.00 0.00 0.00 0.00 0.00 179.25 179.69 3d29 h ALA 181 N 1.95 1.00 0.00 0.00 0.00 -1.95 -3.49 119.26 116.77 3d29 h ALA 181 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 3d29 h ALA 181 Cb 0.21 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.00 3d29 h ALA 181 CO 0.01 0.00 0.00 0.41 0.00 0.00 0.00 179.25 179.67 3d29 n GLY 183 N 0.41 0.45 3.00 0.00 0.00 -0.59 -5.03 105.19 103.43 3d29 n GLY 183 Ca 0.03 -1.82 -0.30 0.00 0.00 0.00 0.00 46.02 43.93 3d29 n GLY 183 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3d29 s VAL 184 N -1.83 1.53 -0.14 1.61 1.01 -1.26 -2.56 120.40 118.76 3d29 s VAL 184 Ca 0.00 -0.68 0.01 0.00 0.00 0.00 0.00 61.98 61.31 3d29 s VAL 184 Cb 0.00 -1.48 -0.00 0.00 0.00 0.00 0.00 36.38 34.90 3d29 s VAL 184 CO 0.00 0.38 -0.17 -0.70 0.00 0.00 0.00 175.10 174.61 3d29 s GLU 185 N 1.49 3.19 -0.07 2.72 2.12 -0.81 -4.96 118.70 122.38 3d29 s GLU 185 Ca 0.04 -0.78 -0.15 0.00 0.36 0.00 0.00 54.97 54.44 3d29 s GLU 185 Cb -0.14 -2.54 -0.05 0.00 0.26 0.00 0.00 34.13 31.67 3d29 s GLU 185 CO -0.10 0.09 0.39 1.03 -0.54 0.00 0.00 175.26 176.13 3d29 s ARG 186 N 0.62 4.09 0.07 4.30 1.81 -1.26 -0.05 118.95 128.53 3d29 s ARG 186 Ca -0.09 0.33 0.06 0.00 -1.72 0.00 0.00 55.73 54.31 3d29 s ARG 186 Cb -0.16 -3.32 -0.03 0.00 -0.45 0.00 0.00 34.95 30.99 3d29 s ARG 186 CO 0.03 0.45 -0.17 -0.51 -0.68 0.00 0.00 175.30 174.41 3d29 s LEU 187 N -0.27 2.25 -0.02 2.53 1.43 0.16 -4.99 118.68 119.76 3d29 s LEU 187 Ca 0.22 -0.59 -0.01 0.00 -1.03 0.00 0.00 54.13 52.72 3d29 s LEU 187 Cb -0.15 -0.72 0.01 0.00 0.03 0.00 0.00 46.19 45.35 3d29 s LEU 187 CO 0.10 0.03 0.04 -0.51 0.23 0.00 0.00 176.35 176.24 3d29 s ILE 18 N -1.07 -0.01 -0.01 -0.59 -1.16 -1.26 -0.97 121.20 116.12 3d29 s ILE 18 Ca 0.03 0.04 0.04 0.00 -0.51 0.00 0.00 60.65 60.25 3d29 s ILE 18 Cb -0.09 -0.07 -0.01 0.00 0.61 0.00 0.00 42.46 42.89 3d29 s ILE 18 CO 0.03 0.02 -0.14 -0.36 -2.81 0.00 0.00 174.94 171.68 3d29 s PHE 18 N 0.22 1.22 0.24 3.50 0.08 -0.28 -4.99 117.98 117.98 3d29 s PHE 18 Ca -0.02 -0.24 0.06 0.00 0.12 0.00 0.00 56.93 56.85 3d29 s PHE 18 Cb -0.03 -0.78 -0.03 0.00 -0.57 0.00 0.00 43.02 41.62 3d29 s PHE 18 CO -0.01 -0.02 0.32 0.71 -0.10 0.00 0.00 175.22 176.12 3d29 s TYR 18 N -0.37 3.36 0.21 0.36 2.02 -1.26 -1.74 117.35 119.93 3d29 s TYR 18 Ca 0.05 -0.04 -0.14 0.00 -0.37 0.00 0.00 57.07 56.57 3d29 s TYR 18 Cb -0.05 -1.52 0.24 0.00 -0.40 0.00 0.00 41.96 40.22 3d29 s TYR 18 CO -0.00 0.46 1.62 -1.35 -1.57 0.00 0.00 175.55 174.71 3d29 h PRO 18 N 1.26 -0.01 -0.70 -1.71 0.11 -1.98 0.12 132.00 129.09 3d29 h PRO 18 Ca -0.51 0.00 0.19 0.00 0.11 0.00 0.00 66.00 65.79 3d29 h PRO 18 Cb 1.23 0.00 -0.03 0.00 0.11 0.00 0.00 31.00 32.31 3d29 h PRO 18 CO 0.61 -0.01 0.50 -0.44 -0.21 0.00 0.00 178.00 178.45 3d29 h ASP 18 N -0.01 0.07 0.00 -2.05 3.32 -1.97 0.18 116.42 115.97 3d29 h ASP 18 Ca 0.31 0.01 -0.03 0.00 0.02 0.00 0.00 57.03 57.33 3d29 h ASP 18 Cb 0.48 -0.01 -0.01 0.00 0.22 0.00 0.00 39.33 40.02 3d29 h ASP 18 CO -0.67 0.03 -0.25 -0.08 -1.72 0.00 0.00 179.24 176.55 3d29 h GLU 18 N 0.07 0.00 0.00 3.56 4.81 -1.18 -3.40 114.58 118.44 3d29 h GLU 18 Ca 0.34 0.00 -0.11 0.00 -0.13 0.00 0.00 59.36 59.46 3d29 h GLU 18 Cb 1.24 0.00 -0.02 0.00 0.63 0.00 0.00 28.75 30.61 3d29 h GLU 18 CO -0.03 0.52 -0.53 0.10 -0.73 0.00 0.00 179.01 178.34 3d29 h TYR 18 N -1.00 0.00 -0.72 0.92 -0.00 -1.20 -3.32 116.97 111.65 3d29 h TYR 18 Ca -0.05 0.00 0.04 0.00 0.00 0.00 0.00 58.73 58.71 3d29 h TYR 18 Cb 0.63 0.00 -0.04 0.00 0.00 0.00 0.00 36.73 37.32 3d29 h TYR 18 CO 0.09 0.53 0.48 0.93 -0.00 0.00 0.00 178.16 180.18 3d29 h GLU 18 N 0.00 0.85 -1.20 0.10 5.08 -1.18 -2.62 114.58 115.60 3d29 h GLU 18 Ca -0.01 -0.05 -0.53 0.00 -1.00 0.00 0.00 59.36 57.77 3d29 h GLU 18 Cb 1.40 -0.19 -0.23 0.00 0.50 0.00 0.00 28.75 30.23 3d29 h GLU 18 CO 0.07 0.56 0.69 1.04 -1.00 0.00 0.00 179.01 180.37 3d29 n GLN 18 N -4.46 2.32 0.00 2.33 3.00 -1.25 -5.10 117.38 114.23 3d29 n GLN 18 Ca 0.09 -2.59 0.12 0.00 -0.01 0.00 0.00 57.00 54.62 3d29 n GLN 18 Cb 0.13 -2.02 0.19 0.00 0.00 0.00 0.00 30.24 28.54 3d29 n GLN 18 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.06 178.34