#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 3.04 0.05 8.00 0.01 -1.26 -1.05 113.70 122.48 3d29 s SER 2 Ca 0.00 -0.78 0.03 0.00 1.31 0.00 0.00 55.95 56.51 3d29 s SER 2 Cb 0.00 -0.93 -0.03 0.00 0.21 0.00 0.00 66.02 65.27 3d29 s SER 2 CO 0.00 -0.21 -0.09 0.27 0.41 0.00 0.00 173.24 173.62 3d29 s ILE 3 N 1.61 0.67 0.09 1.44 -4.36 -0.45 -1.80 121.20 118.40 3d29 s ILE 3 Ca -0.01 -1.15 -0.25 0.00 -0.26 0.00 0.00 60.65 58.98 3d29 s ILE 3 Cb -0.16 -0.73 0.07 0.00 1.25 0.00 0.00 42.46 42.89 3d29 s ILE 3 CO -0.07 -0.36 0.66 0.00 0.24 0.00 0.00 174.94 175.40 3d29 s MET 4 N -1.67 1.17 -0.02 0.37 0.23 -0.78 -0.00 119.30 118.60 3d29 s MET 4 Ca -0.08 -0.30 0.00 0.00 -1.03 0.00 0.00 55.69 54.29 3d29 s MET 4 Cb -0.10 0.54 0.02 0.00 -1.53 0.00 0.00 34.83 33.76 3d29 s MET 4 CO 0.01 -0.49 -0.00 0.00 -2.03 0.00 0.00 175.02 172.51 3d29 s ALA 5 N -3.13 0.25 -0.08 3.16 0.00 -0.55 -0.42 121.76 121.00 3d29 s ALA 5 Ca -0.01 0.11 0.01 0.00 0.00 0.00 0.00 51.96 52.07 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 -0.04 -0.10 0.08 0.00 0.00 0.00 175.76 175.63 3d29 s VAL 6 N 0.70 1.00 0.29 0.00 1.01 0.16 -1.39 120.40 122.17 3d29 s VAL 6 Ca -0.07 -0.36 -0.20 0.00 0.00 0.00 0.00 61.98 61.35 3d29 s VAL 6 Cb -0.10 -0.96 -0.09 0.00 0.00 0.00 0.00 36.38 35.23 3d29 s VAL 6 CO -0.01 0.34 0.79 0.42 0.00 0.00 0.00 175.10 176.64 3d29 s THR 7 N 1.03 4.51 0.18 3.92 -4.23 -0.49 -0.91 115.64 119.65 3d29 s THR 7 Ca -0.08 1.33 0.01 0.00 -1.18 0.00 0.00 61.69 61.77 3d29 s THR 7 Cb -0.15 -3.81 -0.00 0.00 1.34 0.00 0.00 72.50 69.89 3d29 s THR 7 CO -0.00 0.05 0.22 2.22 -0.54 0.00 0.00 174.62 176.57 3d29 n PHE 8 N 0.30 -0.77 -0.24 3.99 1.16 -0.22 -4.51 117.46 117.18 3d29 n PHE 8 Ca 0.01 -1.36 0.05 0.00 -1.87 0.00 0.00 57.45 54.27 3d29 n PHE 8 Cb 0.52 0.24 0.16 0.00 -1.61 0.00 0.00 39.48 38.78 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 0.14 -0.06 3.97 3.64 -1.21 -2.73 116.57 120.32 3d29 h LYS 9 Ca -0.14 -0.01 0.00 0.00 -1.27 0.00 0.00 60.65 59.23 3d29 h LYS 9 Cb 0.64 -0.03 0.00 0.00 -0.41 0.00 0.00 32.23 32.43 3d29 h LYS 9 CO 0.19 0.09 0.00 -0.25 -2.27 0.00 0.00 179.45 177.22 3d29 n ASP 10 N -5.28 2.32 0.00 4.20 10.43 -1.26 -4.95 116.55 122.01 3d29 n ASP 10 Ca 0.13 -1.77 0.00 0.00 2.57 0.00 0.00 54.79 55.72 3d29 n ASP 10 Cb 0.45 -0.03 0.00 0.00 1.84 0.00 0.00 41.12 43.38 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 1.27 -0.23 3.36 0.44 0.00 -1.03 -4.17 105.19 104.83 3d29 n GLY 11 Ca 0.17 -0.10 -0.15 0.00 0.00 0.00 0.00 46.02 45.94 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 0.04 -0.05 1.61 0.11 -0.58 -1.05 120.40 120.47 3d29 s VAL 12 Ca 0.00 -0.30 0.03 0.00 -2.93 0.00 0.00 61.98 58.78 3d29 s VAL 12 Cb 0.00 -0.83 0.01 0.00 -1.53 0.00 0.00 36.38 34.03 3d29 s VAL 12 CO 0.00 -0.16 -0.11 -0.63 -3.33 0.00 0.00 175.10 170.86 3d29 s ILE 13 N -1.57 1.02 -0.04 7.04 1.01 -0.09 -0.68 121.20 127.90 3d29 s ILE 13 Ca -0.11 -0.45 -0.02 0.00 0.00 0.00 0.00 60.65 60.08 3d29 s ILE 13 Cb -0.02 -0.92 -0.04 0.00 0.01 0.00 0.00 42.46 41.49 3d29 s ILE 13 CO 0.05 0.32 0.06 -0.76 0.00 0.00 0.00 174.94 174.61 3d29 s LEU 14 N 0.41 3.86 0.04 2.97 1.02 -0.32 -0.67 118.68 126.00 3d29 s LEU 14 Ca -0.09 0.18 0.00 0.00 0.02 0.00 0.00 54.13 54.25 3d29 s LEU 14 Cb -0.13 -2.12 -0.03 0.00 0.02 0.00 0.00 46.19 43.94 3d29 s LEU 14 CO 0.02 0.32 -0.04 -0.83 0.02 0.00 0.00 176.35 175.84 3d29 s GLY 15 N -1.42 0.38 0.01 -3.19 0.00 0.44 -1.05 107.32 102.49 3d29 s GLY 15 Ca 0.19 -0.87 -0.28 0.00 0.00 0.00 0.00 44.72 43.76 3d29 s GLY 15 CO 0.09 -0.96 0.81 0.00 0.00 0.00 0.00 173.10 173.05 3d29 s ALA 16 N -2.45 -1.78 0.75 3.20 0.00 -0.34 -1.86 121.76 119.28 3d29 s ALA 16 Ca -0.06 1.01 -0.03 0.00 0.00 0.00 0.00 51.96 52.89 3d29 s ALA 16 Cb -0.03 0.32 0.06 0.00 0.00 0.00 0.00 23.12 23.47 3d29 s ALA 16 CO -0.04 -0.62 0.38 -0.40 0.00 0.00 0.00 175.76 175.08 3d29 n ASP 17 N -0.01 0.23 -1.63 0.00 5.75 -0.75 -0.37 116.55 119.78 3d29 n ASP 17 Ca -0.12 -1.26 -0.02 0.00 -0.01 0.00 0.00 54.79 53.38 3d29 n ASP 17 Cb 0.61 -0.27 0.08 0.00 -1.03 0.00 0.00 41.12 40.51 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 -3.13 2.08 -4.55 -1.12 3.41 -0.48 -4.57 113.62 105.27 3d29 n SER 18 Ca 0.05 -2.89 -0.34 0.00 -0.26 0.00 0.00 58.87 55.44 3d29 n SER 18 Cb 0.19 -0.41 -0.11 0.00 -0.26 0.00 0.00 64.21 63.62 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 -2.42 3.50 -0.08 4.33 3.52 -1.18 -1.01 118.95 125.60 3d29 s ARG 19 Ca 0.37 -0.49 0.02 0.00 -0.13 0.00 0.00 55.73 55.51 3d29 s ARG 19 Cb 0.37 -2.89 0.01 0.00 -1.56 0.00 0.00 34.95 30.88 3d29 s ARG 19 CO -0.07 0.37 -0.15 0.95 -0.81 0.00 0.00 175.30 175.58 3d29 s THR 20 N 0.03 1.39 0.24 4.11 -4.23 -0.49 -4.67 115.64 112.02 3d29 s THR 20 Ca 0.01 -0.61 0.10 0.00 -1.18 0.00 0.00 61.69 60.01 3d29 s THR 20 Cb -0.13 -1.25 -0.05 0.00 1.34 0.00 0.00 72.50 72.41 3d29 s THR 20 CO 0.02 0.41 -0.18 0.42 -0.54 0.00 0.00 174.62 174.75 3d29 s THR 21 N 0.67 2.18 -0.41 3.99 -4.23 -1.26 -0.64 115.64 115.95 3d29 s THR 21 Ca -0.14 -2.27 0.01 0.00 -1.18 0.00 0.00 61.69 58.11 3d29 s THR 21 Cb -0.16 -2.16 0.13 0.00 1.34 0.00 0.00 72.50 71.65 3d29 s THR 21 CO 0.04 -0.43 0.21 0.42 -0.54 0.00 0.00 174.62 174.32 3d29 s THR 22 N -2.55 1.12 0.00 3.99 -4.23 -0.07 -4.84 115.64 109.06 3d29 s THR 22 Ca 0.26 -2.25 0.00 0.00 -1.18 0.00 0.00 61.69 58.52 3d29 s THR 22 Cb -0.04 -1.80 0.00 0.00 1.34 0.00 0.00 72.50 72.00 3d29 s THR 22 CO 0.11 -0.88 0.00 0.61 -0.54 0.00 0.00 174.62 173.92 3d29 n GLY 23 N 3.81 0.69 0.95 3.99 0.00 -1.26 -2.64 105.19 110.73 3d29 n GLY 23 Ca 0.08 -0.66 0.12 0.00 0.00 0.00 0.00 46.02 45.56 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 9.73 2.46 -2.57 4.61 0.00 -1.26 -4.91 120.51 128.58 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 3.66 -0.68 0.00 5.04 -1.08 -5.02 117.35 117.44 3d29 s TYR 25 Ca 0.33 0.93 -0.20 0.00 -2.44 0.00 0.00 57.07 55.69 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 0.52 0.86 0.42 -1.34 0.00 0.00 175.55 176.31 3d29 s ILE 26 N -0.61 4.67 0.42 3.14 1.01 -1.26 -0.90 121.20 127.67 3d29 s ILE 26 Ca 0.23 -0.93 0.12 0.00 0.00 0.00 0.00 60.65 60.08 3d29 s ILE 26 Cb -0.16 -4.60 0.17 0.00 0.01 0.00 0.00 42.46 37.88 3d29 s ILE 26 CO 0.12 -1.30 1.95 0.00 0.00 0.00 0.00 174.94 175.71 3d29 h ALA 27 N 9.21 1.60 -2.73 9.38 0.00 -1.20 -3.42 119.26 132.10 3d29 h ALA 27 Ca -0.21 -0.19 -0.14 0.00 0.00 0.00 0.00 54.91 54.37 3d29 h ALA 27 Cb 1.07 -0.06 -0.28 0.00 0.00 0.00 0.00 17.79 18.52 3d29 h ALA 27 CO 1.12 0.29 -0.39 1.21 0.00 0.00 0.00 179.25 181.48 3d29 s ASN 28 N -6.94 -0.27 0.00 0.00 3.84 -1.01 -5.01 114.94 105.54 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 0.16 0.80 0.03 0.00 -0.55 0.00 0.00 41.25 41.69 3d29 s ASN 28 CO 0.71 -0.20 1.07 -2.11 -2.79 0.00 0.00 177.10 173.79 3d29 n ARG 29 N 4.66 1.51 -2.42 0.43 1.85 -1.26 -1.40 116.66 120.04 3d29 n ARG 29 Ca -0.18 -1.17 -0.13 0.00 -1.00 0.00 0.00 57.85 55.37 3d29 n ARG 29 Cb 0.53 -1.43 0.03 0.00 -1.05 0.00 0.00 32.46 30.54 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 0.27 1.91 -2.15 8.89 0.24 -1.04 -4.30 118.33 122.15 3d29 n VAL 30 Ca 0.10 -3.62 -0.37 0.00 -2.04 0.00 0.00 64.34 58.40 3d29 n VAL 30 Cb 0.47 0.01 0.01 0.00 -1.47 0.00 0.00 33.84 32.85 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 -4.23 2.89 -0.50 3.34 2.01 -0.18 -5.00 115.64 113.96 3d29 s THR 31 Ca 0.39 0.64 -0.06 0.00 0.31 0.00 0.00 61.69 62.97 3d29 s THR 31 Cb 0.37 -3.31 0.13 0.00 0.01 0.00 0.00 72.50 69.70 3d29 s THR 31 CO -0.00 -0.04 0.35 -0.62 -0.69 0.00 0.00 174.62 173.61 3d29 s ASP 32 N -1.38 5.53 0.00 3.53 3.68 -1.26 -4.38 116.67 122.39 3d29 s ASP 32 Ca 0.68 -2.19 0.28 0.00 2.13 0.00 0.00 52.55 53.44 3d29 s ASP 32 Cb -0.30 -1.93 1.26 0.00 -1.45 0.00 0.00 42.92 40.49 3d29 s ASP 32 CO 0.35 -0.57 1.85 0.29 0.13 0.00 0.00 175.17 177.23 3d29 n LYS 33 N 4.46 1.46 -3.40 4.34 5.02 -1.26 -4.69 118.16 124.08 3d29 n LYS 33 Ca -0.02 -0.66 -0.44 0.00 -2.02 0.00 0.00 58.31 55.17 3d29 n LYS 33 Cb 0.41 -1.47 -0.09 0.00 -0.02 0.00 0.00 35.03 33.86 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 -1.93 5.29 -0.07 -0.35 1.43 -1.26 -1.97 118.68 119.81 3d29 s LEU 34 Ca 0.40 -1.05 0.02 0.00 -1.03 0.00 0.00 54.13 52.47 3d29 s LEU 34 Cb 0.20 -2.21 -0.02 0.00 0.03 0.00 0.00 46.19 44.19 3d29 s LEU 34 CO 0.33 -0.56 -0.12 -0.89 0.23 0.00 0.00 176.35 175.33 3d29 s THR 35 N 1.76 3.21 -0.19 5.49 2.01 -0.48 -4.96 115.64 122.48 3d29 s THR 35 Ca 0.06 -0.65 -0.19 0.00 0.31 0.00 0.00 61.69 61.22 3d29 s THR 35 Cb -0.21 -2.29 -0.03 0.00 0.01 0.00 0.00 72.50 69.98 3d29 s THR 35 CO 0.09 0.57 0.53 -0.60 -0.69 0.00 0.00 174.62 174.53 3d29 s ARG 36 N -0.48 4.20 -0.00 4.92 3.52 -1.26 -0.63 118.95 129.22 3d29 s ARG 36 Ca 0.06 0.44 0.09 0.00 -0.13 0.00 0.00 55.73 56.20 3d29 s ARG 36 Cb -0.12 -3.56 -0.11 0.00 -1.56 0.00 0.00 34.95 29.61 3d29 s ARG 36 CO 0.02 -0.14 0.37 1.33 -0.81 0.00 0.00 175.30 176.07 3d29 n VAL 37 N 4.51 0.00 -3.55 7.11 0.24 -0.75 -4.93 118.33 120.95 3d29 n VAL 37 Ca -0.04 -0.27 -0.08 0.00 -2.04 0.00 0.00 64.34 61.91 3d29 n VAL 37 Cb 0.50 0.92 -0.02 0.00 -1.47 0.00 0.00 33.84 33.77 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 -1.97 -0.32 0.25 6.34 5.65 -0.81 -4.56 115.29 119.88 3d29 s HIS 38 Ca 0.03 0.14 -0.10 0.00 0.25 0.00 0.00 55.06 55.38 3d29 s HIS 38 Cb 0.07 0.56 0.38 0.00 -1.18 0.00 0.00 32.58 32.41 3d29 s HIS 38 CO 0.39 -0.63 1.47 -0.25 -0.65 0.00 0.00 174.74 175.07 3d29 n ASP 39 N -0.30 -0.41 -1.01 9.88 8.00 -1.26 -1.93 116.55 129.52 3d29 n ASP 39 Ca -0.09 1.62 0.03 0.00 0.71 0.00 0.00 54.79 57.07 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 -5.49 1.32 -3.85 -1.24 5.02 -1.26 -4.94 118.16 107.71 3d29 n LYS 40 Ca 0.14 -3.03 -0.29 0.00 -2.02 0.00 0.00 58.31 53.10 3d29 n LYS 40 Cb 0.45 -1.24 -0.16 0.00 -0.02 0.00 0.00 35.03 34.05 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 -2.51 1.06 0.46 -0.18 1.09 -0.82 -0.94 121.20 119.37 3d29 s ILE 41 Ca 0.38 -0.83 0.04 0.00 -1.10 0.00 0.00 60.65 59.13 3d29 s ILE 41 Cb 0.38 -1.39 -0.04 0.00 -1.06 0.00 0.00 42.46 40.34 3d29 s ILE 41 CO -0.09 -0.08 0.01 0.26 -0.10 0.00 0.00 174.94 174.94 3d29 s TRP 42 N 1.62 2.16 0.07 3.97 0.52 0.46 -1.82 118.94 125.93 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 -1.68 -0.01 0.00 -1.15 0.00 0.00 33.47 30.45 3d29 s TRP 42 CO -0.07 0.33 0.11 0.00 0.02 0.00 0.00 176.95 177.33 3d29 s ARG 45 N 0.20 3.03 0.07 0.00 0.52 -0.83 -1.67 118.95 120.27 3d29 s ARG 45 Ca -0.05 -0.41 -0.11 0.00 -0.52 0.00 0.00 55.73 54.64 3d29 s ARG 45 Cb -0.15 -2.84 0.01 0.00 0.52 0.00 0.00 34.95 32.49 3d29 s ARG 45 CO 0.04 0.69 0.25 -1.54 0.02 0.00 0.00 175.30 174.76 3d29 s SER 46 N -1.13 -0.01 0.00 0.23 1.04 -0.78 -4.94 113.70 108.11 3d29 s SER 46 Ca 0.16 -0.41 0.00 0.00 0.48 0.00 0.00 55.95 56.18 3d29 s SER 46 Cb -0.12 0.35 0.00 0.00 0.10 0.00 0.00 66.02 66.35 3d29 s SER 46 CO 0.05 -0.67 0.00 0.61 0.98 0.00 0.00 173.24 174.22 3d29 n GLY 47 N 0.29 0.98 3.68 7.32 0.00 -1.26 -1.27 105.19 114.93 3d29 n GLY 47 Ca -0.17 -1.44 -0.42 0.00 0.00 0.00 0.00 46.02 43.98 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 0.14 1.61 0.15 0.10 -4.93 113.70 113.95 3d29 s SER 48 Ca 0.00 1.47 -0.17 0.00 0.70 0.00 0.00 55.95 57.95 3d29 s SER 48 Cb 0.00 -2.54 -0.01 0.00 -1.71 0.00 0.00 66.02 61.76 3d29 s SER 48 CO 0.00 -0.46 1.74 0.00 1.20 0.00 0.00 173.24 175.71 3d29 h ALA 49 N 7.16 0.46 -0.22 5.45 0.00 -1.91 0.80 119.26 130.99 3d29 h ALA 49 Ca -0.29 -0.08 0.00 0.00 0.00 0.00 0.00 54.91 54.54 3d29 h ALA 49 Cb 1.14 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 18.77 3d29 h ALA 49 CO 0.87 -0.01 0.15 0.00 0.00 0.00 0.00 179.25 180.25 3d29 h ALA 50 N 1.06 0.28 -0.22 0.00 0.00 -1.97 -1.01 119.26 117.41 3d29 h ALA 50 Ca 0.13 -0.02 -0.02 0.00 0.00 0.00 0.00 54.91 55.00 3d29 h ALA 50 Cb 0.06 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 17.75 3d29 h ALA 50 CO -0.02 -0.24 0.04 -0.44 0.00 0.00 0.00 179.25 178.59 3d29 h ASP 51 N 0.30 0.34 -0.07 0.00 3.32 -1.81 -2.04 116.42 116.46 3d29 h ASP 51 Ca 0.08 -0.25 -0.12 0.00 0.02 0.00 0.00 57.03 56.77 3d29 h ASP 51 Cb -0.03 -0.09 -0.01 0.00 0.22 0.00 0.00 39.33 39.42 3d29 h ASP 51 CO -0.02 0.50 -0.32 0.71 -1.72 0.00 0.00 179.24 178.39 3d29 h THR 52 N 0.16 1.28 0.06 0.35 1.35 -0.83 -1.67 112.91 113.62 3d29 h THR 52 Ca 0.07 -1.43 -0.00 0.00 -0.55 0.00 0.00 66.41 64.50 3d29 h THR 52 Cb 0.30 1.44 0.00 0.00 -1.73 0.00 0.00 68.15 68.16 3d29 h THR 52 CO 0.00 0.45 -0.03 1.56 -0.25 0.00 0.00 175.52 177.26 3d29 h GLN 53 N 0.47 -0.08 -0.69 4.72 4.20 -1.16 0.11 115.11 122.69 3d29 h GLN 53 Ca 0.06 0.01 0.02 0.00 0.06 0.00 0.00 58.65 58.79 3d29 h GLN 53 Cb 0.79 0.02 -0.04 0.00 0.30 0.00 0.00 27.48 28.55 3d29 h GLN 53 CO 0.06 0.03 0.45 0.00 -0.67 0.00 0.00 178.83 178.70 3d29 h ALA 54 N 0.77 1.55 -0.01 3.87 0.00 -1.26 0.11 119.26 124.30 3d29 h ALA 54 Ca -0.01 -0.04 -0.01 0.00 0.00 0.00 0.00 54.91 54.85 3d29 h ALA 54 Cb 0.14 -0.26 0.00 0.00 0.00 0.00 0.00 17.79 17.67 3d29 h ALA 54 CO 0.01 0.40 -0.04 0.82 0.00 0.00 0.00 179.25 180.44 3d29 h ILE 55 N 0.89 1.52 -0.39 0.00 2.04 -1.07 -2.56 117.51 117.94 3d29 h ILE 55 Ca 0.26 -1.58 0.05 0.00 1.00 0.00 0.00 64.86 64.59 3d29 h ILE 55 Cb -0.04 2.56 -0.04 0.00 -0.74 0.00 0.00 36.82 38.55 3d29 h ILE 55 CO -0.06 0.42 0.12 0.00 0.00 0.00 0.00 178.15 178.63 3d29 h ALA 56 N 0.35 0.44 -0.91 1.87 0.00 -0.47 0.10 119.26 120.64 3d29 h ALA 56 Ca -0.00 0.05 0.12 0.00 0.00 0.00 0.00 54.91 55.08 3d29 h ALA 56 Cb 0.70 0.04 -0.08 0.00 0.00 0.00 0.00 17.79 18.45 3d29 h ALA 56 CO 0.01 -0.27 0.54 -0.44 0.00 0.00 0.00 179.25 179.09 3d29 h ASP 57 N 0.27 0.77 -0.23 0.00 3.45 -0.83 0.80 116.42 120.65 3d29 h ASP 57 Ca 0.18 0.06 -0.20 0.00 0.43 0.00 0.00 57.03 57.49 3d29 h ASP 57 Cb 0.17 -0.09 0.01 0.00 -0.56 0.00 0.00 39.33 38.85 3d29 h ASP 57 CO -0.19 0.40 -0.65 0.40 -1.57 0.00 0.00 179.24 177.63 3d29 h ILE 58 N 0.85 1.27 -0.39 0.35 2.04 -0.83 -2.44 117.51 118.37 3d29 h ILE 58 Ca 0.46 -1.83 -0.00 0.00 1.00 0.00 0.00 64.86 64.48 3d29 h ILE 58 Cb 0.49 1.78 -0.02 0.00 -0.74 0.00 0.00 36.82 38.33 3d29 h ILE 58 CO -0.28 0.59 0.23 0.58 0.00 0.00 0.00 178.15 179.27 3d29 h VAL 59 N 0.62 1.13 -0.68 1.67 2.07 -0.02 -0.49 116.25 120.55 3d29 h VAL 59 Ca -0.02 -0.31 0.08 0.00 0.82 0.00 0.00 66.70 67.27 3d29 h VAL 59 Cb 1.27 0.64 -0.06 0.00 -1.52 0.00 0.00 31.29 31.62 3d29 h VAL 59 CO 0.14 0.13 0.35 -0.61 0.02 0.00 0.00 177.57 177.61 3d29 h GLN 60 N 0.50 0.61 -0.69 1.57 4.15 -0.85 0.72 115.11 121.13 3d29 h GLN 60 Ca 0.14 -0.04 -0.01 0.00 0.77 0.00 0.00 58.65 59.52 3d29 h GLN 60 Cb 0.01 -0.14 -0.03 0.00 0.21 0.00 0.00 27.48 27.53 3d29 h GLN 60 CO -0.03 0.40 0.41 -0.92 -1.93 0.00 0.00 178.83 176.77 3d29 h TYR 61 N 0.63 0.92 -0.40 3.99 3.20 -0.90 -0.56 116.97 123.84 3d29 h TYR 61 Ca 0.32 -0.00 -0.10 0.00 3.14 0.00 0.00 58.73 62.09 3d29 h TYR 61 Cb 0.28 -0.30 -0.02 0.00 1.54 0.00 0.00 36.73 38.23 3d29 h TYR 61 CO -0.10 0.62 -0.14 0.45 -1.64 0.00 0.00 178.16 177.35 3d29 h HIS 62 N 0.94 0.82 -0.06 -3.82 3.86 0.25 -2.27 115.15 114.87 3d29 h HIS 62 Ca 0.25 -0.16 -0.19 0.00 -1.16 0.00 0.00 60.37 59.12 3d29 h HIS 62 Cb -0.02 -0.21 -0.01 0.00 1.06 0.00 0.00 27.41 28.24 3d29 h HIS 62 CO -0.01 0.84 -0.76 -0.07 0.86 0.00 0.00 177.93 178.78 3d29 h LEU 63 N 0.66 0.43 -0.42 2.43 3.38 -0.69 -1.07 115.31 120.02 3d29 h LEU 63 Ca 0.11 -0.29 -0.02 0.00 0.09 0.00 0.00 57.88 57.77 3d29 h LEU 63 Cb 0.62 -0.13 -0.02 0.00 0.09 0.00 0.00 40.66 41.22 3d29 h LEU 63 CO 0.04 1.04 0.18 -0.08 0.09 0.00 0.00 178.44 179.71 3d29 h GLU 64 N 0.23 0.63 -0.36 1.13 4.81 -0.93 0.50 114.58 120.58 3d29 h GLU 64 Ca -0.03 -0.11 -0.10 0.00 -0.13 0.00 0.00 59.36 58.99 3d29 h GLU 64 Cb 1.34 -0.10 -0.02 0.00 0.63 0.00 0.00 28.75 30.60 3d29 h GLU 64 CO 0.13 0.57 -0.20 1.25 -0.73 0.00 0.00 179.01 180.03 3d29 h LEU 65 N 0.54 0.70 -0.00 1.64 5.85 -1.38 -1.81 115.31 120.84 3d29 h LEU 65 Ca 0.14 -0.23 0.00 0.00 0.84 0.00 0.00 57.88 58.63 3d29 h LEU 65 Cb 0.17 -0.19 -0.00 0.00 0.37 0.00 0.00 40.66 41.01 3d29 h LEU 65 CO -0.01 0.89 0.00 0.22 -0.34 0.00 0.00 178.44 179.20 3d29 h TYR 66 N 0.61 0.00 -0.60 1.25 3.20 -0.82 -2.52 116.97 118.09 3d29 h TYR 66 Ca 0.09 0.00 0.04 0.00 3.14 0.00 0.00 58.73 62.01 3d29 h TYR 66 Cb 0.67 -0.00 -0.05 0.00 1.54 0.00 0.00 36.73 38.90 3d29 h TYR 66 CO 0.03 0.03 0.34 1.15 -1.64 0.00 0.00 178.16 178.07 3d29 h THR 67 N -0.03 1.00 -0.88 1.81 2.02 -0.71 0.55 112.91 116.67 3d29 h THR 67 Ca 0.00 -0.22 0.11 0.00 0.77 0.00 0.00 66.41 67.07 3d29 h THR 67 Cb 0.03 0.30 -0.07 0.00 -1.74 0.00 0.00 68.15 66.67 3d29 h THR 67 CO -0.00 0.12 0.57 0.28 0.37 0.00 0.00 175.52 176.86 3d29 h SER 68 N 0.65 0.75 0.08 4.18 0.02 -1.11 -2.05 113.55 116.07 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 0.11 -0.13 -0.03 0.00 0.14 0.00 0.00 62.40 62.49 3d29 h SER 68 CO -0.14 0.43 -2.01 0.00 -1.14 0.00 0.00 176.83 173.96 3d29 n GLN 69 N -4.54 0.70 -0.42 3.45 6.02 -0.62 -4.72 117.38 117.25 3d29 n GLN 69 Ca 0.16 0.29 0.06 0.00 -0.01 0.00 0.00 57.00 57.49 3d29 n GLN 69 Cb 0.35 -1.67 0.10 0.00 1.02 0.00 0.00 30.24 30.04 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 -3.63 0.00 -3.91 1.08 4.02 0.18 -5.11 117.16 109.80 3d29 n TYR 70 Ca -0.36 -0.74 0.00 0.00 -0.01 0.00 0.00 57.90 56.80 3d29 n TYR 70 Cb 0.97 -0.14 -0.00 0.00 -0.02 0.00 0.00 39.34 40.16 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 -0.78 -2.00 3.68 2.72 0.00 -0.77 -4.89 105.19 103.15 3d29 n GLY 72 Ca 0.11 -1.39 -0.45 0.00 0.00 0.00 0.00 46.02 44.29 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 -0.26 0.20 -3.25 2.61 -1.04 -1.26 -3.76 114.28 107.52 3d29 n THR 73 Ca 0.00 -0.05 -0.33 0.00 -2.04 0.00 0.00 64.05 61.63 3d29 n THR 73 Cb 0.00 -1.61 -0.06 0.00 -1.82 0.00 0.00 70.33 66.85 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 0.66 3.94 0.76 -2.82 0.04 -1.26 -5.02 135.00 131.30 3d29 s PRO 74 Ca 0.76 0.52 -0.12 0.00 0.04 0.00 0.00 61.00 62.20 3d29 s PRO 74 Cb -0.64 -2.56 0.05 0.00 0.04 0.00 0.00 34.50 31.39 3d29 s PRO 74 CO 0.39 0.24 1.11 -1.54 0.04 0.00 0.00 177.00 177.25 3d29 s SER 75 N -2.25 4.92 0.31 6.66 1.04 -1.26 -4.94 113.70 118.18 3d29 s SER 75 Ca 0.50 1.11 0.06 0.00 0.48 0.00 0.00 55.95 58.10 3d29 s SER 75 Cb -0.11 -1.83 0.50 0.00 0.10 0.00 0.00 66.02 64.68 3d29 s SER 75 CO 0.19 -1.67 1.75 0.74 0.98 0.00 0.00 173.24 175.22 3d29 h THR 76 N -0.89 1.27 -0.38 2.02 2.02 -1.94 -2.62 112.91 112.40 3d29 h THR 76 Ca -0.46 -1.31 -0.01 0.00 0.77 0.00 0.00 66.41 65.40 3d29 h THR 76 Cb 1.27 1.50 -0.02 0.00 -1.74 0.00 0.00 68.15 69.17 3d29 h THR 76 CO 0.63 0.40 0.20 -0.08 0.37 0.00 0.00 175.52 177.04 3d29 h GLU 77 N 0.27 0.54 -0.90 6.66 4.81 -1.99 -1.33 114.58 122.65 3d29 h GLU 77 Ca 0.04 -0.07 0.04 0.00 -0.13 0.00 0.00 59.36 59.24 3d29 h GLU 77 Cb 0.69 -0.10 -0.05 0.00 0.63 0.00 0.00 28.75 29.92 3d29 h GLU 77 CO 0.05 0.45 0.58 1.15 -0.73 0.00 0.00 179.01 180.51 3d29 h THR 78 N 0.48 1.13 -0.52 0.32 2.02 -1.85 -0.60 112.91 113.89 3d29 h THR 78 Ca 0.13 -0.38 -0.07 0.00 0.77 0.00 0.00 66.41 66.86 3d29 h THR 78 Cb 0.08 -0.08 -0.02 0.00 -1.74 0.00 0.00 68.15 66.39 3d29 h THR 78 CO -0.02 0.20 0.06 0.00 0.37 0.00 0.00 175.52 176.13 3d29 h ALA 79 N 1.38 0.70 0.00 6.16 0.00 -1.12 -1.87 119.26 124.51 3d29 h ALA 79 Ca 0.36 -0.26 -0.02 0.00 0.00 0.00 0.00 54.91 55.00 3d29 h ALA 79 Cb 0.03 -0.20 -0.00 0.00 0.00 0.00 0.00 17.79 17.62 3d29 h ALA 79 CO -0.13 0.46 -0.10 0.00 0.00 0.00 0.00 179.25 179.48 3d29 h ALA 80 N 0.97 1.22 0.11 0.00 0.00 -0.59 -2.29 119.26 118.68 3d29 h ALA 80 Ca 0.16 -0.09 -0.28 0.00 0.00 0.00 0.00 54.91 54.70 3d29 h ALA 80 Cb 0.44 -0.02 0.01 0.00 0.00 0.00 0.00 17.79 18.23 3d29 h ALA 80 CO 0.02 0.12 -1.20 1.03 0.00 0.00 0.00 179.25 179.22 3d29 h SER 81 N 0.00 0.61 -0.33 0.00 0.87 -0.35 -2.11 113.55 112.24 3d29 h SER 81 Ca -0.00 -0.59 -0.09 0.00 -1.23 0.00 0.00 61.79 59.88 3d29 h SER 81 Cb 0.33 -0.19 -0.01 0.00 -0.44 0.00 0.00 62.40 62.09 3d29 h SER 81 CO 0.01 1.43 -0.14 0.58 -0.53 0.00 0.00 176.83 178.18 3d29 h VAL 82 N 0.17 1.29 0.09 2.23 2.07 -1.02 0.20 116.25 121.27 3d29 h VAL 82 Ca -0.15 -1.24 0.00 0.00 0.82 0.00 0.00 66.70 66.13 3d29 h VAL 82 Cb 1.89 1.40 -0.01 0.00 -1.52 0.00 0.00 31.29 33.05 3d29 h VAL 82 CO 0.21 0.40 -0.08 -0.26 0.02 0.00 0.00 177.57 177.87 3d29 h PHE 83 N 0.45 -0.19 -0.81 1.57 0.04 -1.49 -1.83 116.94 114.68 3d29 h PHE 83 Ca 0.08 0.00 0.08 0.00 2.80 0.00 0.00 57.97 60.92 3d29 h PHE 83 Cb 0.67 0.07 -0.07 0.00 2.20 0.00 0.00 35.95 38.83 3d29 h PHE 83 CO 0.06 -0.12 0.48 -0.22 -0.60 0.00 0.00 178.31 177.91 3d29 h LYS 84 N -0.18 0.82 -0.20 1.51 3.11 -1.26 0.90 116.57 121.28 3d29 h LYS 84 Ca 0.00 -0.05 -0.00 0.00 -2.81 0.00 0.00 60.65 57.79 3d29 h LYS 84 Cb 0.16 -0.18 -0.01 0.00 -1.00 0.00 0.00 32.23 31.20 3d29 h LYS 84 CO -0.01 0.54 0.11 1.49 -2.81 0.00 0.00 179.45 178.77 3d29 h GLU 85 N 0.84 0.27 -0.25 1.90 4.57 -0.69 0.55 114.58 121.78 3d29 h GLU 85 Ca 0.37 -0.03 -0.01 0.00 -1.18 0.00 0.00 59.36 58.51 3d29 h GLU 85 Cb 0.26 -0.05 -0.01 0.00 -0.16 0.00 0.00 28.75 28.78 3d29 h GLU 85 CO -0.21 0.25 0.12 -0.07 -1.18 0.00 0.00 179.01 177.93 3d29 h LEU 86 N 0.22 0.32 -0.91 1.64 3.38 -0.75 -2.04 115.31 117.16 3d29 h LEU 86 Ca 0.07 -0.11 -0.09 0.00 0.09 0.00 0.00 57.88 57.84 3d29 h LEU 86 Cb 0.05 -0.08 -0.01 0.00 0.09 0.00 0.00 40.66 40.71 3d29 h LEU 86 CO -0.01 0.34 -0.21 0.00 0.09 0.00 0.00 178.44 178.64 3d29 h TYR 88 N 0.49 -0.06 -0.08 0.00 5.03 -0.83 -2.51 116.97 119.01 3d29 h TYR 88 Ca 0.08 -0.00 0.02 0.00 2.58 0.00 0.00 58.73 61.41 3d29 h TYR 88 Cb 0.64 0.02 -0.00 0.00 1.55 0.00 0.00 36.73 38.94 3d29 h TYR 88 CO 0.02 0.57 0.09 1.49 -1.32 0.00 0.00 178.16 179.01 3d29 h GLU 89 N -0.88 0.00 -0.10 1.82 4.57 -1.46 -2.25 114.58 116.28 3d29 h GLU 89 Ca -0.01 0.00 -0.04 0.00 -1.18 0.00 0.00 59.36 58.14 3d29 h GLU 89 Cb 0.65 0.00 -0.02 0.00 -0.16 0.00 0.00 28.75 29.22 3d29 h GLU 89 CO 0.01 0.00 -0.21 0.09 -1.18 0.00 0.00 179.01 177.72 3d29 n ASN 90 N -3.89 2.30 -0.15 1.04 3.02 -1.03 -4.81 115.26 111.74 3d29 n ASN 90 Ca -0.01 -3.54 0.24 0.00 -0.03 0.00 0.00 54.58 51.24 3d29 n ASN 90 Cb 0.19 -0.52 0.65 0.00 -0.61 0.00 0.00 39.78 39.49 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 0.79 0.12 0.00 3.52 2.10 -0.93 -0.90 116.57 121.27 3d29 h LYS 91 Ca 0.05 -0.01 0.00 0.00 -2.00 0.00 0.00 60.65 58.69 3d29 h LYS 91 Cb 1.19 -0.03 0.00 0.00 -0.90 0.00 0.00 32.23 32.49 3d29 h LYS 91 CO 0.11 0.08 0.00 -0.25 -2.00 0.00 0.00 179.45 177.39 3d29 n ASP 92 N -4.37 0.74 -0.23 7.07 10.43 -1.26 -3.51 116.55 125.43 3d29 n ASP 92 Ca 0.16 0.64 0.06 0.00 2.57 0.00 0.00 54.79 58.23 3d29 n ASP 92 Cb 0.79 -0.81 0.09 0.00 1.84 0.00 0.00 41.12 43.03 3d29 n ASP 92 CO 0.00 0.00 0.00 0.59 -1.07 0.00 0.00 177.20 176.72 3d29 n ASN 94 N -2.27 1.48 -4.17 -2.24 3.02 -0.37 -5.06 115.26 105.65 3d29 n ASN 94 Ca 0.03 -2.68 -0.17 0.00 -0.03 0.00 0.00 54.58 51.74 3d29 n ASN 94 Cb 0.30 -0.34 -0.11 0.00 -0.61 0.00 0.00 39.78 39.01 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 -1.81 2.33 -0.43 3.41 1.43 -1.07 -5.06 118.68 117.48 3d29 s LEU 95 Ca 0.20 -0.70 0.05 0.00 -1.03 0.00 0.00 54.13 52.65 3d29 s LEU 95 Cb 0.18 -0.42 0.18 0.00 0.03 0.00 0.00 46.19 46.16 3d29 s LEU 95 CO 0.02 -0.16 0.38 0.41 0.23 0.00 0.00 176.35 177.24 3d29 n THR 96 N 0.96 -0.87 -3.81 5.49 -1.04 -1.26 -4.91 114.28 108.83 3d29 n THR 96 Ca -0.19 -3.65 -0.27 0.00 -2.04 0.00 0.00 64.05 57.90 3d29 n THR 96 Cb 0.56 -1.74 -0.17 0.00 -1.82 0.00 0.00 70.33 67.16 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 -0.28 1.17 -0.39 2.41 0.00 -1.26 0.01 121.76 123.42 3d29 s ALA 97 Ca 0.33 -0.67 -0.11 0.00 0.00 0.00 0.00 51.96 51.51 3d29 s ALA 97 Cb 0.05 -1.09 0.04 0.00 0.00 0.00 0.00 23.12 22.13 3d29 s ALA 97 CO -0.18 -0.89 0.22 0.20 0.00 0.00 0.00 175.76 175.11 3d29 s GLY 98 N 1.77 1.94 -0.03 0.00 0.00 -0.39 -4.34 107.32 106.26 3d29 s GLY 98 Ca 0.01 -1.81 0.07 0.00 0.00 0.00 0.00 44.72 42.99 3d29 s GLY 98 CO -0.07 0.88 -0.25 -0.42 0.00 0.00 0.00 173.10 173.24 3d29 s ILE 99 N 1.53 1.98 -0.19 0.90 1.01 -0.51 -1.87 121.20 124.05 3d29 s ILE 99 Ca 0.02 -1.05 -0.05 0.00 0.00 0.00 0.00 60.65 59.57 3d29 s ILE 99 Cb -0.20 -1.66 -0.02 0.00 0.01 0.00 0.00 42.46 40.59 3d29 s ILE 99 CO 0.06 0.56 -0.01 -0.63 0.00 0.00 0.00 174.94 174.92 3d29 s ILE 100 N -0.41 3.91 -0.18 2.92 -1.09 -0.67 -0.08 121.20 125.60 3d29 s ILE 100 Ca 0.04 -0.33 -0.05 0.00 -2.23 0.00 0.00 60.65 58.08 3d29 s ILE 100 Cb -0.11 -2.76 -0.03 0.00 -1.58 0.00 0.00 42.46 37.98 3d29 s ILE 100 CO 0.01 0.44 -0.00 -0.69 -1.23 0.00 0.00 174.94 173.47 3d29 s VAL 101 N 0.85 4.13 -0.02 2.92 1.01 0.18 -0.60 120.40 128.88 3d29 s VAL 101 Ca 0.00 -0.27 0.01 0.00 0.00 0.00 0.00 61.98 61.73 3d29 s VAL 101 Cb -0.14 -2.84 0.01 0.00 0.00 0.00 0.00 36.38 33.40 3d29 s VAL 101 CO 0.02 0.46 -0.03 0.00 0.00 0.00 0.00 175.10 175.55 3d29 s ALA 102 N 0.59 0.39 0.05 5.51 0.00 -0.31 0.09 121.76 128.07 3d29 s ALA 102 Ca -0.01 -0.05 -0.13 0.00 0.00 0.00 0.00 51.96 51.77 3d29 s ALA 102 Cb -0.14 -0.21 0.02 0.00 0.00 0.00 0.00 23.12 22.79 3d29 s ALA 102 CO 0.02 0.03 0.30 0.20 0.00 0.00 0.00 175.76 176.30 3d29 s GLY 103 N 0.40 -0.11 -0.16 0.00 0.00 -0.94 -0.40 107.32 106.10 3d29 s GLY 103 Ca -0.04 -0.04 -0.03 0.00 0.00 0.00 0.00 44.72 44.61 3d29 s GLY 103 CO -0.01 -0.25 -0.04 -0.47 0.00 0.00 0.00 173.10 172.33 3d29 s TYR 104 N -2.64 3.00 0.05 1.90 6.14 -0.12 -1.70 117.35 123.98 3d29 s TYR 104 Ca -0.04 -0.41 0.07 0.00 0.64 0.00 0.00 57.07 57.33 3d29 s TYR 104 Cb -0.01 -1.97 -0.03 0.00 0.42 0.00 0.00 41.96 40.38 3d29 s TYR 104 CO -0.04 -0.12 -0.19 0.34 0.64 0.00 0.00 175.55 176.18 3d29 s ASP 105 N 0.53 2.23 0.25 4.32 2.15 0.16 -4.84 116.67 121.47 3d29 s ASP 105 Ca -0.04 -0.54 0.00 0.00 0.43 0.00 0.00 52.55 52.41 3d29 s ASP 105 Cb -0.14 -0.16 0.31 0.00 -0.30 0.00 0.00 42.92 42.63 3d29 s ASP 105 CO 0.03 0.10 1.67 -0.78 -0.17 0.00 0.00 175.17 176.01 3d29 h ASP 10 N 4.72 0.57 0.19 -0.34 3.58 -1.99 0.54 116.42 123.69 3d29 h ASP 10 Ca -0.42 -0.21 -0.35 0.00 0.42 0.00 0.00 57.03 56.47 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 0.84 -1.86 0.50 -2.88 0.00 0.00 179.24 176.26 3d29 h LYS 10 N 0.48 0.30 0.00 0.28 3.11 -2.04 -3.37 116.57 115.33 3d29 h LYS 10 Ca 0.06 -0.51 0.00 0.00 -2.81 0.00 0.00 60.65 57.39 3d29 h LYS 10 Cb 0.75 0.19 0.00 0.00 -1.00 0.00 0.00 32.23 32.17 3d29 h LYS 10 CO 0.06 1.21 -0.83 0.09 -2.81 0.00 0.00 179.45 177.17 3d29 n ASN 106 N -3.50 0.71 0.00 4.20 3.02 -1.24 -5.04 115.26 113.41 3d29 n ASN 106 Ca -0.27 -0.52 0.00 0.00 -0.03 0.00 0.00 54.58 53.76 3d29 n ASN 106 Cb 1.06 0.68 0.00 0.00 -0.61 0.00 0.00 39.78 40.91 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 -1.62 0.00 -3.84 3.52 4.81 0.19 -4.69 118.16 116.52 3d29 n LYS 107 Ca 0.04 0.00 -0.37 0.00 -0.87 0.00 0.00 58.31 57.11 3d29 n LYS 107 Cb 0.36 0.00 -0.06 0.00 0.02 0.00 0.00 35.03 35.35 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 2.19 0.02 3.14 0.00 -1.25 0.38 107.32 111.81 3d29 s GLY 108 Ca 0.00 -0.61 0.02 0.00 0.00 0.00 0.00 44.72 44.13 3d29 s GLY 108 CO 0.00 -0.36 -0.06 -0.54 0.00 0.00 0.00 173.10 172.14 3d29 s GLU 109 N -1.14 0.47 -0.05 2.90 2.02 -0.69 -4.95 118.70 117.26 3d29 s GLU 109 Ca 0.17 -0.51 0.01 0.00 0.02 0.00 0.00 54.97 54.67 3d29 s GLU 109 Cb -0.13 -0.32 0.02 0.00 0.10 0.00 0.00 34.13 33.81 3d29 s GLU 109 CO 0.07 0.07 -0.06 0.08 0.02 0.00 0.00 175.26 175.44 3d29 s VAL 110 N -0.85 0.65 -0.12 2.63 1.01 -1.25 -2.22 120.40 120.25 3d29 s VAL 110 Ca -0.05 -0.18 0.01 0.00 0.00 0.00 0.00 61.98 61.75 3d29 s VAL 110 Cb -0.07 -0.65 0.02 0.00 0.00 0.00 0.00 36.38 35.68 3d29 s VAL 110 CO 0.00 0.25 -0.13 -0.31 0.00 0.00 0.00 175.10 174.91 3d29 s TYR 111 N 0.91 1.86 -0.16 5.22 1.51 0.11 -1.15 117.35 125.65 3d29 s TYR 111 Ca -0.11 -0.92 -0.06 0.00 -1.01 0.00 0.00 57.07 54.97 3d29 s TYR 111 Cb -0.15 -1.39 -0.04 0.00 -0.11 0.00 0.00 41.96 40.28 3d29 s TYR 111 CO 0.00 -0.51 0.05 -0.08 -1.11 0.00 0.00 175.55 173.90 3d29 s THR 112 N 1.24 4.69 -0.46 -0.71 -1.32 0.18 0.51 115.64 119.78 3d29 s THR 112 Ca -0.02 -0.08 0.04 0.00 -1.21 0.00 0.00 61.69 60.42 3d29 s THR 112 Cb -0.14 -3.08 0.12 0.00 -1.51 0.00 0.00 72.50 67.89 3d29 s THR 112 CO -0.05 0.51 0.19 -0.63 -2.21 0.00 0.00 174.62 172.43 3d29 s ILE 113 N 0.00 2.44 1.18 5.08 1.01 0.89 -1.10 121.20 130.70 3d29 s ILE 113 Ca 0.05 -2.96 -0.19 0.00 0.00 0.00 0.00 60.65 57.55 3d29 s ILE 113 Cb -0.12 -2.73 0.28 0.00 0.01 0.00 0.00 42.46 39.90 3d29 s ILE 113 CO 0.01 -0.74 1.15 -2.16 0.00 0.00 0.00 174.94 173.21 3d29 s PRO 114 N 0.13 -1.03 0.21 2.79 0.04 -1.25 -1.43 135.00 134.47 3d29 s PRO 114 Ca 0.15 -0.18 -0.15 0.00 0.04 0.00 0.00 61.00 60.86 3d29 s PRO 114 Cb -0.24 -1.63 0.24 0.00 0.04 0.00 0.00 34.50 32.91 3d29 s PRO 114 CO -0.03 -3.57 1.61 -0.07 0.04 0.00 0.00 177.00 174.98 3d29 h LEU 115 N -2.47 -0.79 -2.01 -3.56 4.07 -1.94 -2.37 115.31 106.24 3d29 h LEU 115 Ca -0.44 0.22 0.05 0.00 0.08 0.00 0.00 57.88 57.79 3d29 h LEU 115 Cb 1.28 0.47 -0.01 0.00 1.08 0.00 0.00 40.66 43.49 3d29 h LEU 115 CO 0.33 -0.25 0.13 1.23 -1.08 0.00 0.00 178.44 178.80 3d29 h GLY 116 N -0.04 0.00 0.00 0.83 0.00 -1.92 -3.46 103.07 98.47 3d29 h GLY 116 Ca 0.31 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.64 3d29 h GLY 116 CO -0.71 0.00 0.00 0.61 0.00 0.00 0.00 176.54 176.44 3d29 n GLY 117 N -1.57 1.30 3.90 4.60 0.00 -0.89 -4.55 105.19 107.97 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 -1.94 5.35 0.06 1.61 1.04 -1.26 -4.39 113.70 114.16 3d29 s SER 118 Ca 0.00 0.91 0.09 0.00 0.48 0.00 0.00 55.95 57.43 3d29 s SER 118 Cb 0.00 -1.73 -0.03 0.00 0.10 0.00 0.00 66.02 64.36 3d29 s SER 118 CO 0.00 -1.33 -0.24 -0.69 0.98 0.00 0.00 173.24 171.95 3d29 s VAL 119 N -3.26 1.99 -0.10 5.02 1.01 -1.26 -3.79 120.40 120.02 3d29 s VAL 119 Ca 0.57 -1.40 -0.04 0.00 0.00 0.00 0.00 61.98 61.12 3d29 s VAL 119 Cb -0.11 -1.72 0.05 0.00 0.00 0.00 0.00 36.38 34.60 3d29 s VAL 119 CO 0.49 0.25 0.16 -1.00 0.00 0.00 0.00 175.10 175.00 3d29 s HIS 120 N -0.86 -0.18 -0.20 5.22 3.76 -0.26 -4.97 115.29 117.81 3d29 s HIS 120 Ca 0.10 0.55 -0.18 0.00 -0.15 0.00 0.00 55.06 55.38 3d29 s HIS 120 Cb -0.10 -0.28 -0.03 0.00 1.11 0.00 0.00 32.58 33.28 3d29 s HIS 120 CO 0.03 -0.31 0.52 0.21 -0.85 0.00 0.00 174.74 174.33 3d29 s LYS 121 N 2.29 4.20 0.19 1.40 2.20 -1.26 0.51 119.74 129.27 3d29 s LYS 121 Ca 0.03 0.42 -0.01 0.00 -0.36 0.00 0.00 55.97 56.05 3d29 s LYS 121 Cb -0.13 -3.56 -0.04 0.00 -1.51 0.00 0.00 37.83 32.60 3d29 s LYS 121 CO -0.06 -0.13 0.13 -0.51 -0.36 0.00 0.00 175.35 174.41 3d29 s LEU 122 N 1.59 1.20 0.37 5.43 1.43 -0.30 -5.00 118.68 123.39 3d29 s LEU 122 Ca 0.24 -1.35 0.14 0.00 -1.03 0.00 0.00 54.13 52.13 3d29 s LEU 122 Cb -0.15 0.42 0.72 0.00 0.03 0.00 0.00 46.19 47.20 3d29 s LEU 122 CO 0.10 -0.84 1.80 -0.65 0.23 0.00 0.00 176.35 176.99 3d29 h PRO 123 N 2.64 0.00 -2.20 1.29 0.11 -1.95 -3.32 132.00 128.58 3d29 h PRO 123 Ca -0.36 0.00 0.15 0.00 0.11 0.00 0.00 66.00 65.90 3d29 h PRO 123 Cb 1.24 0.00 -0.14 0.00 0.11 0.00 0.00 31.00 32.22 3d29 h PRO 123 CO 0.53 0.39 0.53 1.52 -0.21 0.00 0.00 178.00 180.76 3d29 s TYR 124 N -4.03 -0.27 -0.01 0.65 -0.85 -1.26 -1.39 117.35 110.20 3d29 s TYR 124 Ca -0.02 0.10 -0.19 0.00 -0.52 0.00 0.00 57.07 56.44 3d29 s TYR 124 Cb 0.14 0.56 0.04 0.00 0.38 0.00 0.00 41.96 43.07 3d29 s TYR 124 CO 0.72 -0.57 0.42 0.00 -1.52 0.00 0.00 175.55 174.59 3d29 s ALA 125 N -3.07 -1.05 0.10 9.51 0.00 -0.48 -4.99 121.76 121.77 3d29 s ALA 125 Ca 0.07 0.53 0.08 0.00 0.00 0.00 0.00 51.96 52.64 3d29 s ALA 125 Cb -0.01 0.13 -0.03 0.00 0.00 0.00 0.00 23.12 23.21 3d29 s ALA 125 CO -0.06 -0.33 -0.20 0.96 0.00 0.00 0.00 175.76 176.13 3d29 s ILE 126 N -1.60 1.65 0.29 0.00 -4.36 -1.26 -1.48 121.20 114.43 3d29 s ILE 126 Ca -0.11 -1.55 -0.19 0.00 -0.26 0.00 0.00 60.65 58.53 3d29 s ILE 126 Cb -0.03 -1.53 0.02 0.00 1.25 0.00 0.00 42.46 42.17 3d29 s ILE 126 CO 0.04 -0.11 0.70 0.00 0.24 0.00 0.00 174.94 175.81 3d29 s ALA 127 N -1.27 -1.05 0.00 2.27 0.00 0.99 -4.97 121.76 117.73 3d29 s ALA 127 Ca 0.06 -0.42 0.00 0.00 0.00 0.00 0.00 51.96 51.60 3d29 s ALA 127 Cb -0.10 0.86 0.00 0.00 0.00 0.00 0.00 23.12 23.89 3d29 s ALA 127 CO 0.04 -1.01 0.00 0.41 0.00 0.00 0.00 175.76 175.20 3d29 n GLY 128 N -0.46 2.15 0.39 0.00 0.00 -1.26 -1.35 105.19 104.67 3d29 n GLY 128 Ca -0.04 -1.92 0.20 0.00 0.00 0.00 0.00 46.02 44.26 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 0.14 1.76 1.61 4.64 -1.56 -0.25 113.55 119.90 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 0.07 0.00 1.23 -0.87 0.00 0.00 176.83 177.26 3d29 h GLY 130 N 0.15 0.00 1.20 -0.77 0.00 -1.36 -3.33 103.07 98.97 3d29 h GLY 130 Ca 0.32 0.00 0.05 0.00 0.00 0.00 0.00 47.33 47.70 3d29 h GLY 130 CO -0.05 0.00 0.42 1.48 0.00 0.00 0.00 176.54 178.40 3d29 h SER 131 N 0.00 0.61 -0.97 0.19 4.64 -1.17 -2.88 113.55 113.97 3d29 h SER 131 Ca 0.00 -0.00 0.16 0.00 -0.47 0.00 0.00 61.79 61.48 3d29 h SER 131 Cb 0.88 -0.14 -0.09 0.00 -0.31 0.00 0.00 62.40 62.74 3d29 h SER 131 CO 0.00 0.41 0.61 0.71 -0.87 0.00 0.00 176.83 177.69 3d29 h THR 132 N 0.71 0.80 0.00 2.95 1.35 -1.72 -1.47 112.91 115.52 3d29 h THR 132 Ca 0.27 -0.27 0.00 0.00 -0.55 0.00 0.00 66.41 65.86 3d29 h THR 132 Cb 0.17 -0.05 0.00 0.00 -1.73 0.00 0.00 68.15 66.54 3d29 h THR 132 CO -0.08 0.14 0.00 -0.26 -0.25 0.00 0.00 175.52 175.07 3d29 h PHE 133 N 0.77 0.00 -0.13 4.73 0.04 -1.78 -3.20 116.94 117.37 3d29 h PHE 133 Ca 0.51 0.00 -0.03 0.00 2.80 0.00 0.00 57.97 61.25 3d29 h PHE 133 Cb 0.77 0.00 -0.02 0.00 2.20 0.00 0.00 35.95 38.90 3d29 h PHE 133 CO -0.00 0.00 -0.10 0.44 -0.60 0.00 0.00 178.31 178.05 3d29 n ILE 134 N -2.47 2.17 -0.08 -0.55 -5.35 -0.56 -4.69 119.36 107.83 3d29 n ILE 134 Ca 0.02 -2.42 -0.12 0.00 -0.27 0.00 0.00 62.75 59.96 3d29 n ILE 134 Cb 0.27 -0.26 -0.05 0.00 -1.74 0.00 0.00 39.64 37.86 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 0.82 0.50 -0.17 4.28 0.05 -1.54 -1.51 116.97 119.39 3d29 h TYR 135 Ca 0.04 -0.11 -0.05 0.00 0.05 0.00 0.00 58.73 58.66 3d29 h TYR 135 Cb 1.24 -0.12 -0.00 0.00 1.01 0.00 0.00 36.73 38.85 3d29 h TYR 135 CO 0.44 0.68 -0.08 0.78 -1.05 0.00 0.00 178.16 178.93 3d29 h GLY 136 N 0.17 0.39 0.64 3.88 0.00 -1.85 -1.79 103.07 104.51 3d29 h GLY 136 Ca 0.06 -0.35 0.02 0.00 0.00 0.00 0.00 47.33 47.06 3d29 h GLY 136 CO 0.02 0.32 -0.16 -1.82 0.00 0.00 0.00 176.54 174.90 3d29 h TYR 137 N 0.04 -0.41 -0.48 5.60 3.20 -1.84 -1.40 116.97 121.68 3d29 h TYR 137 Ca 0.04 0.01 -0.06 0.00 3.14 0.00 0.00 58.73 61.86 3d29 h TYR 137 Cb 0.55 0.18 -0.02 0.00 1.54 0.00 0.00 36.73 38.98 3d29 h TYR 137 CO 0.06 -0.23 0.07 0.00 -1.64 0.00 0.00 178.16 176.42 3d29 h ASP 139 N 0.73 0.11 1.05 0.00 -0.00 -0.99 -1.71 116.42 115.61 3d29 h ASP 139 Ca 0.15 -0.04 0.00 0.00 -0.00 0.00 0.00 57.03 57.14 3d29 h ASP 139 Cb 0.34 -0.03 0.00 0.00 -0.00 0.00 0.00 39.33 39.64 3d29 h ASP 139 CO 0.01 0.50 -0.55 0.11 -0.00 0.00 0.00 179.24 179.31 3d29 h LYS 140 N 0.10 0.00 -0.01 0.28 1.79 -0.84 -3.37 116.57 114.52 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 0.74 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.39 3d29 h LYS 140 CO 0.06 0.00 -0.06 0.09 -1.08 0.00 0.00 179.45 178.46 3d29 n ASN 141 N -2.29 1.18 -4.81 0.86 4.13 -0.42 -5.01 115.26 108.89 3d29 n ASN 141 Ca 0.03 -1.09 -0.37 0.00 1.68 0.00 0.00 54.58 54.83 3d29 n ASN 141 Cb 0.46 0.24 -0.06 0.00 -1.54 0.00 0.00 39.78 38.89 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 -0.73 3.71 -0.00 3.10 5.36 -0.66 -5.04 117.98 123.72 3d29 s PHE 142 Ca 0.06 1.34 -0.03 0.00 -0.96 0.00 0.00 56.93 57.33 3d29 s PHE 142 Cb 0.05 -2.57 -0.00 0.00 -0.34 0.00 0.00 43.02 40.15 3d29 s PHE 142 CO 0.11 0.43 0.06 1.03 -1.46 0.00 0.00 175.22 175.39 3d29 s ARG 143 N -1.67 0.30 0.52 10.12 0.52 -1.26 -5.01 118.95 122.46 3d29 s ARG 143 Ca 0.38 -0.31 -0.17 0.00 -0.52 0.00 0.00 55.73 55.11 3d29 s ARG 143 Cb -0.18 0.12 -0.07 0.00 0.52 0.00 0.00 34.95 35.34 3d29 s ARG 143 CO 0.21 -0.06 1.01 -1.21 0.02 0.00 0.00 175.30 175.27 3d29 s GLU 144 N -0.96 3.81 -1.50 3.54 2.02 -1.26 -4.14 118.70 120.22 3d29 s GLU 144 Ca -0.10 1.09 -0.09 0.00 0.02 0.00 0.00 54.97 55.89 3d29 s GLU 144 Cb -0.06 -2.11 0.07 0.00 0.10 0.00 0.00 34.13 32.12 3d29 s GLU 144 CO 0.00 -0.39 0.78 0.09 0.02 0.00 0.00 175.26 175.76 3d29 n ASN 145 N -1.47 -2.90 -3.93 -0.19 4.13 -1.26 -4.92 115.26 104.71 3d29 n ASN 145 Ca 0.08 -0.88 -0.30 0.00 1.68 0.00 0.00 54.58 55.16 3d29 n ASN 145 Cb 0.54 -3.53 0.22 0.00 -1.54 0.00 0.00 39.78 35.47 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 -6.54 -0.60 0.45 3.52 -1.94 -1.26 -4.11 119.30 108.81 3d29 s MET 146 Ca 0.42 -0.17 0.02 0.00 -1.71 0.00 0.00 55.69 54.25 3d29 s MET 146 Cb -0.22 -1.68 0.00 0.00 2.01 0.00 0.00 34.83 34.95 3d29 s MET 146 CO 0.86 -3.28 0.65 -1.54 -0.01 0.00 0.00 175.02 171.69 3d29 s SER 147 N -4.21 5.76 0.27 3.03 1.04 -1.26 -0.97 113.70 117.36 3d29 s SER 147 Ca 0.72 0.13 0.00 0.00 0.48 0.00 0.00 55.95 57.28 3d29 s SER 147 Cb -0.08 -1.34 0.61 0.00 0.10 0.00 0.00 66.02 65.31 3d29 s SER 147 CO 0.55 -0.73 1.71 0.50 0.98 0.00 0.00 173.24 176.25 3d29 h LYS 148 N 0.44 0.42 -0.40 4.02 3.64 -1.98 -0.27 116.57 122.44 3d29 h LYS 148 Ca -0.45 -0.03 -0.08 0.00 -1.27 0.00 0.00 60.65 58.82 3d29 h LYS 148 Cb 1.26 -0.09 -0.01 0.00 -0.41 0.00 0.00 32.23 32.97 3d29 h LYS 148 CO 0.55 0.28 -0.06 0.93 -2.27 0.00 0.00 179.45 178.87 3d29 h GLU 149 N 0.43 0.74 -0.34 1.90 5.08 -1.99 -1.30 114.58 119.10 3d29 h GLU 149 Ca 0.50 -0.27 -0.06 0.00 -1.00 0.00 0.00 59.36 58.52 3d29 h GLU 149 Cb 0.86 -0.05 -0.02 0.00 0.50 0.00 0.00 28.75 30.04 3d29 h GLU 149 CO -0.47 0.87 -0.06 0.93 -1.00 0.00 0.00 179.01 179.27 3d29 h GLU 150 N 0.56 0.56 -0.07 2.33 5.08 -1.66 -1.96 114.58 119.42 3d29 h GLU 150 Ca 0.10 -0.15 -0.04 0.00 -1.00 0.00 0.00 59.36 58.27 3d29 h GLU 150 Cb 0.57 -0.07 0.00 0.00 0.50 0.00 0.00 28.75 29.76 3d29 h GLU 150 CO 0.03 0.63 -0.13 1.15 -1.00 0.00 0.00 179.01 179.69 3d29 h THR 151 N 0.53 1.41 -0.76 1.13 2.02 -0.96 -1.20 112.91 115.08 3d29 h THR 151 Ca 0.10 -1.43 0.09 0.00 0.77 0.00 0.00 66.41 65.94 3d29 h THR 151 Cb 0.43 2.19 -0.05 0.00 -1.74 0.00 0.00 68.15 68.99 3d29 h THR 151 CO 0.02 0.40 0.50 0.58 0.37 0.00 0.00 175.52 177.39 3d29 h VAL 152 N -0.28 0.97 -0.24 3.16 2.07 -1.10 -0.54 116.25 120.30 3d29 h VAL 152 Ca 0.00 -0.25 -0.19 0.00 0.82 0.00 0.00 66.70 67.09 3d29 h VAL 152 Cb 0.71 0.19 0.00 0.00 -1.52 0.00 0.00 31.29 30.67 3d29 h VAL 152 CO 0.03 0.13 -0.59 0.44 0.02 0.00 0.00 177.57 177.60 3d29 h ASP 153 N 0.72 0.88 -0.22 0.57 3.45 -1.26 -0.38 116.42 120.18 3d29 h ASP 153 Ca 0.34 -0.49 -0.01 0.00 0.43 0.00 0.00 57.03 57.30 3d29 h ASP 153 Cb 0.39 -0.25 -0.01 0.00 -0.56 0.00 0.00 39.33 38.90 3d29 h ASP 153 CO -0.12 1.27 0.10 0.15 -1.57 0.00 0.00 179.24 179.07 3d29 h PHE 154 N 0.59 0.32 -0.55 4.55 3.57 -0.22 -0.05 116.94 125.14 3d29 h PHE 154 Ca 0.00 -0.02 -0.11 0.00 3.53 0.00 0.00 57.97 61.37 3d29 h PHE 154 Cb 1.19 -0.10 -0.02 0.00 2.79 0.00 0.00 35.95 39.81 3d29 h PHE 154 CO 0.07 0.32 -0.09 0.82 -2.23 0.00 0.00 178.31 177.20 3d29 h ILE 155 N 0.22 1.27 -0.49 1.41 2.04 -1.14 0.13 117.51 120.96 3d29 h ILE 155 Ca 0.08 -1.24 -0.07 0.00 1.00 0.00 0.00 64.86 64.63 3d29 h ILE 155 Cb 0.13 0.93 -0.02 0.00 -0.74 0.00 0.00 36.82 37.12 3d29 h ILE 155 CO -0.01 0.44 0.04 0.50 0.00 0.00 0.00 178.15 179.12 3d29 h LYS 156 N 0.91 0.83 0.05 2.37 3.64 -0.87 -1.25 116.57 122.26 3d29 h LYS 156 Ca 0.15 -0.25 -0.00 0.00 -1.27 0.00 0.00 60.65 59.28 3d29 h LYS 156 Cb 0.65 -0.09 0.00 0.00 -0.41 0.00 0.00 32.23 32.38 3d29 h LYS 156 CO 0.04 0.86 -0.03 0.45 -2.27 0.00 0.00 179.45 178.51 3d29 h HIS 157 N 0.70 -0.07 -0.04 1.91 3.86 -0.90 -2.09 115.15 118.52 3d29 h HIS 157 Ca 0.14 -0.00 0.03 0.00 -1.16 0.00 0.00 60.37 59.38 3d29 h HIS 157 Cb 0.45 0.02 -0.04 0.00 1.06 0.00 0.00 27.41 28.90 3d29 h HIS 157 CO 0.03 0.34 -0.18 0.77 0.86 0.00 0.00 177.93 179.75 3d29 h SER 158 N -0.49 -0.54 0.49 2.45 0.02 -0.95 -2.20 113.55 112.33 3d29 h SER 158 Ca -0.01 0.08 -0.06 0.00 -0.84 0.00 0.00 61.79 60.97 3d29 h SER 158 Cb 0.43 0.23 -0.01 0.00 0.14 0.00 0.00 62.40 63.20 3d29 h SER 158 CO 0.01 -0.24 -0.29 -0.07 -1.14 0.00 0.00 176.83 175.10 3d29 h LEU 159 N -0.27 0.00 -0.75 5.07 3.38 -1.30 -1.45 115.31 119.98 3d29 h LEU 159 Ca 0.07 0.00 -0.13 0.00 0.09 0.00 0.00 57.88 57.91 3d29 h LEU 159 Cb 0.37 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.11 3d29 h LEU 159 CO -0.20 0.29 -0.42 0.77 0.09 0.00 0.00 178.44 178.97 3d29 h SER 160 N 0.00 0.47 -0.35 -0.43 4.64 -0.87 0.19 113.55 117.21 3d29 h SER 160 Ca -0.00 -0.21 -0.14 0.00 -0.47 0.00 0.00 61.79 60.97 3d29 h SER 160 Cb 0.61 -0.13 -0.01 0.00 -0.31 0.00 0.00 62.40 62.56 3d29 h SER 160 CO 0.04 0.84 -0.32 1.56 -0.87 0.00 0.00 176.83 178.08 3d29 h GLN 161 N 0.37 0.84 -0.52 4.77 1.08 -0.90 -0.53 115.11 120.22 3d29 h GLN 161 Ca 0.03 -0.43 -0.01 0.00 -1.45 0.00 0.00 58.65 56.79 3d29 h GLN 161 Cb 0.89 0.01 -0.02 0.00 -0.05 0.00 0.00 27.48 28.31 3d29 h GLN 161 CO 0.08 1.07 0.28 0.00 -0.95 0.00 0.00 178.83 179.31 3d29 h ALA 162 N 0.76 0.66 -0.35 3.87 0.00 -1.00 -1.97 119.26 121.22 3d29 h ALA 162 Ca 0.06 -0.09 -0.06 0.00 0.00 0.00 0.00 54.91 54.81 3d29 h ALA 162 Cb 0.90 -0.21 -0.02 0.00 0.00 0.00 0.00 17.79 18.46 3d29 h ALA 162 CO 0.08 0.19 -0.04 0.82 0.00 0.00 0.00 179.25 180.29 3d29 h ILE 163 N 0.69 1.22 -0.76 0.00 2.04 -0.86 -1.15 117.51 118.69 3d29 h ILE 163 Ca 0.18 -0.92 -0.04 0.00 1.00 0.00 0.00 64.86 65.08 3d29 h ILE 163 Cb 0.05 1.00 -0.03 0.00 -0.74 0.00 0.00 36.82 37.10 3d29 h ILE 163 CO -0.03 0.31 0.31 0.50 0.00 0.00 0.00 178.15 179.24 3d29 h LYS 164 N 0.54 1.13 0.00 2.37 3.64 -0.37 -3.30 116.57 120.59 3d29 h LYS 164 Ca 0.11 -0.20 -0.17 0.00 -1.27 0.00 0.00 60.65 59.12 3d29 h LYS 164 Cb 0.41 -0.19 -0.03 0.00 -0.41 0.00 0.00 32.23 32.02 3d29 h LYS 164 CO 0.02 0.92 -1.92 0.91 -2.27 0.00 0.00 179.45 177.11 3d29 n TRP 165 N -4.32 0.32 -3.48 1.91 7.02 -0.89 -4.89 117.44 113.10 3d29 n TRP 165 Ca 0.07 0.10 -0.39 0.00 -1.02 0.00 0.00 57.50 56.26 3d29 n TRP 165 Cb 0.18 -0.85 -0.10 0.00 -2.42 0.00 0.00 31.31 28.12 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 -5.22 6.14 0.57 -0.99 2.15 -0.45 -4.95 116.67 113.93 3d29 s ASP 166 Ca -0.07 0.05 0.35 0.00 0.43 0.00 0.00 52.55 53.31 3d29 s ASP 166 Cb 0.10 -2.17 1.69 0.00 -0.30 0.00 0.00 42.92 42.24 3d29 s ASP 166 CO 0.85 -0.16 2.12 1.23 -0.17 0.00 0.00 175.17 179.04 3d29 h GLY 167 N 8.53 0.00 0.41 2.66 0.00 -1.88 -1.67 103.07 111.12 3d29 h GLY 167 Ca -0.33 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.00 3d29 h GLY 167 CO 0.61 0.00 -0.01 1.44 0.00 0.00 0.00 176.54 178.59 3d29 n SER 168 N -3.27 0.63 -4.44 0.19 7.64 -1.26 -4.83 113.62 108.28 3d29 n SER 168 Ca -0.01 -1.16 -0.27 0.00 1.01 0.00 0.00 58.87 58.44 3d29 n SER 168 Cb 0.22 -0.01 -0.11 0.00 -1.01 0.00 0.00 64.21 63.30 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 -2.04 3.55 0.00 6.43 0.01 -0.63 -1.90 113.70 119.12 3d29 s SER 169 Ca 0.42 -0.82 0.00 0.00 1.31 0.00 0.00 55.95 56.86 3d29 s SER 169 Cb 0.21 -0.32 0.00 0.00 0.21 0.00 0.00 66.02 66.12 3d29 s SER 169 CO 0.36 0.12 0.00 0.61 0.41 0.00 0.00 173.24 174.74 3d29 n GLY 170 N 0.25 -0.90 4.97 3.44 0.00 -1.26 -4.83 105.19 106.87 3d29 n GLY 170 Ca -0.12 -1.38 0.00 0.00 0.00 0.00 0.00 46.02 44.52 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 -0.01 0.52 3.99 -0.02 0.00 -1.26 -1.38 105.19 107.02 3d29 n GLY 171 Ca 0.00 -1.01 -0.19 0.00 0.00 0.00 0.00 46.02 44.81 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 4.30 -0.20 1.61 -7.23 -1.26 -4.39 120.40 113.23 3d29 s VAL 172 Ca 0.00 -0.98 -0.07 0.00 -1.81 0.00 0.00 61.98 59.12 3d29 s VAL 172 Cb 0.00 -3.50 -0.04 0.00 0.56 0.00 0.00 36.38 33.41 3d29 s VAL 172 CO 0.00 -0.20 0.05 -0.63 -0.31 0.00 0.00 175.10 174.02 3d29 s ILE 173 N -2.15 4.54 0.03 -0.62 1.01 -0.69 -2.51 121.20 120.82 3d29 s ILE 173 Ca 0.43 -0.11 0.04 0.00 0.00 0.00 0.00 60.65 61.00 3d29 s ILE 173 Cb -0.09 -3.06 -0.04 0.00 0.01 0.00 0.00 42.46 39.28 3d29 s ILE 173 CO 0.31 0.43 -0.05 -0.13 0.00 0.00 0.00 174.94 175.49 3d29 s ARG 174 N 0.74 2.53 0.03 2.79 0.52 0.50 -1.07 118.95 124.99 3d29 s ARG 174 Ca 0.03 -0.77 -0.00 0.00 -0.52 0.00 0.00 55.73 54.47 3d29 s ARG 174 Cb -0.14 -2.50 -0.03 0.00 0.52 0.00 0.00 34.95 32.80 3d29 s ARG 174 CO 0.02 0.58 -0.03 -1.64 0.02 0.00 0.00 175.30 174.25 3d29 s MET 175 N -1.68 0.42 -0.07 3.54 -1.94 0.03 -1.20 119.30 118.40 3d29 s MET 175 Ca 0.19 -0.81 -0.01 0.00 -1.71 0.00 0.00 55.69 53.35 3d29 s MET 175 Cb -0.11 0.11 0.03 0.00 2.01 0.00 0.00 34.83 36.86 3d29 s MET 175 CO 0.10 -0.06 0.00 0.08 -0.01 0.00 0.00 175.02 175.14 3d29 s VAL 176 N -2.20 0.36 -0.19 -6.03 1.01 -0.22 -0.42 120.40 112.72 3d29 s VAL 176 Ca -0.09 0.14 -0.11 0.00 0.00 0.00 0.00 61.98 61.92 3d29 s VAL 176 Cb -0.05 -0.52 -0.05 0.00 0.00 0.00 0.00 36.38 35.77 3d29 s VAL 176 CO -0.04 0.26 0.17 -0.69 0.00 0.00 0.00 175.10 174.80 3d29 s VAL 177 N 1.98 5.39 -0.21 2.92 1.01 0.90 -1.17 120.40 131.21 3d29 s VAL 177 Ca 0.05 0.28 0.02 0.00 0.00 0.00 0.00 61.98 62.33 3d29 s VAL 177 Cb -0.12 -3.51 0.04 0.00 0.00 0.00 0.00 36.38 32.79 3d29 s VAL 177 CO -0.05 0.43 -0.13 -0.76 0.00 0.00 0.00 175.10 174.59 3d29 s LEU 178 N 0.34 2.60 0.00 3.92 1.02 0.14 -1.90 118.68 124.80 3d29 s LEU 178 Ca 0.10 -0.97 0.00 0.00 0.02 0.00 0.00 54.13 53.28 3d29 s LEU 178 Cb -0.12 -1.41 -0.00 0.00 0.02 0.00 0.00 46.19 44.69 3d29 s LEU 178 CO -0.00 -0.11 0.44 0.35 0.02 0.00 0.00 176.35 177.04 3d29 n THR 179 N 4.58 0.00 0.31 5.49 -2.24 -1.07 -1.53 114.28 119.81 3d29 n THR 179 Ca -0.16 -1.93 0.19 0.00 -2.27 0.00 0.00 64.05 59.88 3d29 n THR 179 Cb 0.46 1.12 0.96 0.00 -2.10 0.00 0.00 70.33 70.77 3d29 n THR 179 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3d29 h ALA 180 N 2.04 1.05 0.00 6.98 0.00 -1.95 -1.75 119.26 125.62 3d29 h ALA 180 Ca -0.26 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.63 3d29 h ALA 180 Cb 1.19 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.98 3d29 h ALA 180 CO 0.36 0.02 0.00 0.00 0.00 0.00 0.00 179.25 179.63 3d29 h ALA 181 N 1.98 1.00 0.00 0.00 0.00 -1.95 -3.49 119.26 116.81 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 0.23 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.02 3d29 h ALA 181 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 179.25 179.66 3d29 n GLY 183 N 0.70 0.48 2.98 0.00 0.00 -0.66 -5.03 105.19 103.66 3d29 n GLY 183 Ca 0.04 -1.80 -0.30 0.00 0.00 0.00 0.00 46.02 43.96 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 -2.03 1.47 -0.14 1.61 1.01 -1.26 -2.61 120.40 118.45 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 -1.46 -0.00 0.00 0.00 0.00 0.00 36.38 34.92 3d29 s VAL 184 CO 0.00 0.34 -0.16 -0.70 0.00 0.00 0.00 175.10 174.58 3d29 s GLU 185 N 1.51 3.23 -0.09 2.72 2.12 -0.80 -4.96 118.70 122.43 3d29 s GLU 185 Ca 0.03 -0.76 -0.15 0.00 0.36 0.00 0.00 54.97 54.45 3d29 s GLU 185 Cb -0.14 -2.57 -0.05 0.00 0.26 0.00 0.00 34.13 31.64 3d29 s GLU 185 CO -0.09 0.09 0.39 1.03 -0.54 0.00 0.00 175.26 176.14 3d29 s ARG 186 N 0.61 4.13 0.07 4.30 1.81 -1.26 -0.07 118.95 128.55 3d29 s ARG 186 Ca -0.09 0.32 0.06 0.00 -1.72 0.00 0.00 55.73 54.30 3d29 s ARG 186 Cb -0.16 -3.35 -0.03 0.00 -0.45 0.00 0.00 34.95 30.97 3d29 s ARG 186 CO 0.03 0.39 -0.18 -0.51 -0.68 0.00 0.00 175.30 174.36 3d29 s LEU 187 N -0.09 2.23 -0.00 2.53 1.43 0.44 -4.99 118.68 120.24 3d29 s LEU 187 Ca 0.22 -0.57 0.00 0.00 -1.03 0.00 0.00 54.13 52.75 3d29 s LEU 187 Cb -0.15 -0.75 0.00 0.00 0.03 0.00 0.00 46.19 45.32 3d29 s LEU 187 CO 0.09 0.05 -0.00 -0.51 0.23 0.00 0.00 176.35 176.21 3d29 s ILE 18 N -1.02 0.06 -0.01 -0.59 -1.16 -1.26 -0.79 121.20 116.43 3d29 s ILE 18 Ca 0.04 -0.01 0.04 0.00 -0.51 0.00 0.00 60.65 60.21 3d29 s ILE 18 Cb -0.09 -0.08 -0.01 0.00 0.61 0.00 0.00 42.46 42.89 3d29 s ILE 18 CO 0.02 0.03 -0.13 -0.36 -2.81 0.00 0.00 174.94 171.70 3d29 s PHE 18 N 0.12 1.20 0.23 3.50 0.08 -0.23 -4.99 117.98 117.90 3d29 s PHE 18 Ca -0.01 -0.24 0.05 0.00 0.12 0.00 0.00 56.93 56.85 3d29 s PHE 18 Cb -0.02 -0.78 -0.03 0.00 -0.57 0.00 0.00 43.02 41.61 3d29 s PHE 18 CO -0.00 -0.04 0.33 0.71 -0.10 0.00 0.00 175.22 176.11 3d29 s TYR 18 N -0.23 3.40 0.22 0.36 2.02 -1.26 -1.70 117.35 120.16 3d29 s TYR 18 Ca 0.04 -0.02 -0.13 0.00 -0.37 0.00 0.00 57.07 56.58 3d29 s TYR 18 Cb -0.06 -1.55 0.26 0.00 -0.40 0.00 0.00 41.96 40.21 3d29 s TYR 18 CO -0.00 0.46 1.62 -1.35 -1.57 0.00 0.00 175.55 174.70 3d29 h PRO 18 N 1.32 -0.00 -0.69 -1.71 0.11 -1.98 0.17 132.00 129.21 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 0.62 -0.00 0.49 -0.44 -0.21 0.00 0.00 178.00 178.45 3d29 h ASP 18 N -0.00 0.07 0.00 -2.05 3.32 -1.97 0.25 116.42 116.05 3d29 h ASP 18 Ca 0.33 0.01 -0.04 0.00 0.02 0.00 0.00 57.03 57.34 3d29 h ASP 18 Cb 0.50 -0.01 -0.01 0.00 0.22 0.00 0.00 39.33 40.04 3d29 h ASP 18 CO -0.71 0.04 -0.28 -0.08 -1.72 0.00 0.00 179.24 176.49 3d29 h GLU 18 N 0.08 0.00 0.00 3.56 4.81 -1.09 -3.40 114.58 118.54 3d29 h GLU 18 Ca 0.33 0.00 -0.11 0.00 -0.13 0.00 0.00 59.36 59.45 3d29 h GLU 18 Cb 1.20 0.00 -0.02 0.00 0.63 0.00 0.00 28.75 30.57 3d29 h GLU 18 CO -0.03 0.58 -0.54 0.10 -0.73 0.00 0.00 179.01 178.39 3d29 h TYR 18 N -1.00 0.00 -0.71 0.92 -0.00 -1.20 -3.32 116.97 111.66 3d29 h TYR 18 Ca -0.06 0.00 0.03 0.00 0.00 0.00 0.00 58.73 58.70 3d29 h TYR 18 Cb 0.69 0.00 -0.04 0.00 0.00 0.00 0.00 36.73 37.38 3d29 h TYR 18 CO 0.10 0.50 0.47 0.93 -0.00 0.00 0.00 178.16 180.16 3d29 h GLU 18 N 0.00 0.85 -1.19 0.10 5.08 -1.17 -2.67 114.58 115.58 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 1.39 -0.19 -0.23 0.00 0.50 0.00 0.00 28.75 30.22 3d29 h GLU 18 CO 0.06 0.56 0.68 1.04 -1.00 0.00 0.00 179.01 180.35 3d29 n GLN 18 N -4.45 2.31 0.00 2.33 3.00 -1.25 -5.10 117.38 114.21 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 0.12 -2.01 0.20 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