#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3d49 s VAL 17 N 0.00 5.23 -1.40 1.39 1.01 0.21 -4.10 120.40 122.73 3d49 s VAL 17 Ca 0.00 0.13 -0.02 0.00 0.00 0.00 0.00 61.98 62.09 3d49 s VAL 17 Cb 0.00 -3.42 0.00 0.00 0.00 0.00 0.00 36.38 32.97 3d49 s VAL 17 CO 0.00 0.38 0.24 -0.62 0.00 0.00 0.00 175.10 175.10 3d49 n GLU 18 N 4.06 -2.63 -1.18 2.72 -0.58 -1.26 -2.13 120.64 119.63 3d49 n GLU 18 Ca -0.15 0.80 -0.06 0.00 -0.42 0.00 0.00 57.16 57.33 3d49 n GLU 18 Cb 0.52 -5.30 0.03 0.00 -0.57 0.00 0.00 31.44 26.12 3d49 n GLU 18 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 3d49 n GLY 19 N -1.19 0.94 3.39 0.62 0.00 -1.26 -4.69 105.19 103.00 3d49 n GLY 19 Ca -0.15 -2.01 -0.19 0.00 0.00 0.00 0.00 46.02 43.67 3d49 n GLY 19 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3d49 s SER 20 N -2.02 2.07 0.30 1.61 1.04 -0.16 -4.90 113.70 111.64 3d49 s SER 20 Ca 0.17 -1.32 -0.29 0.00 0.48 0.00 0.00 55.95 54.99 3d49 s SER 20 Cb -0.01 -0.03 -0.10 0.00 0.10 0.00 0.00 66.02 65.98 3d49 s SER 20 CO 0.11 -0.58 1.42 -1.81 0.98 0.00 0.00 173.24 173.36 3d49 s ASP 21 N -3.41 6.62 0.69 7.02 1.01 -1.26 -0.57 116.67 126.78 3d49 s ASP 21 Ca 0.34 2.76 -0.15 0.00 0.71 0.00 0.00 52.55 56.22 3d49 s ASP 21 Cb 0.07 -2.64 0.02 0.00 1.01 0.00 0.00 42.92 41.38 3d49 s ASP 21 CO 0.13 -0.69 1.14 0.00 0.21 0.00 0.00 175.17 175.96 3d49 s ALA 22 N -0.57 2.32 0.64 5.23 0.00 0.57 -4.77 121.76 125.18 3d49 s ALA 22 Ca 0.55 0.63 -0.15 0.00 0.00 0.00 0.00 51.96 52.99 3d49 s ALA 22 Cb -0.42 -3.36 -0.01 0.00 0.00 0.00 0.00 23.12 19.32 3d49 s ALA 22 CO 0.50 -1.53 1.08 -1.21 0.00 0.00 0.00 175.76 174.61 3d49 s GLU 23 N -4.10 2.98 0.24 0.00 2.02 -1.26 -4.97 118.70 113.61 3d49 s GLU 23 Ca 0.69 1.27 -0.31 0.00 0.02 0.00 0.00 54.97 56.64 3d49 s GLU 23 Cb -0.23 -1.98 -0.11 0.00 0.10 0.00 0.00 34.13 31.91 3d49 s GLU 23 CO 0.44 -1.09 1.59 0.42 0.02 0.00 0.00 175.26 176.64 3d49 s ILE 24 N -2.47 2.27 -0.43 -1.63 -1.09 -1.26 -2.00 121.20 114.60 3d49 s ILE 24 Ca 0.65 0.21 0.00 0.00 -2.23 0.00 0.00 60.65 59.28 3d49 s ILE 24 Cb -0.18 -3.14 0.00 0.00 -1.58 0.00 0.00 42.46 37.56 3d49 s ILE 24 CO 0.42 0.03 0.00 0.61 -1.23 0.00 0.00 174.94 174.76 3d49 n GLY 25 N 2.93 0.55 0.21 6.18 0.00 -1.26 -4.89 105.19 108.92 3d49 n GLY 25 Ca 0.11 -0.11 0.09 0.00 0.00 0.00 0.00 46.02 46.10 3d49 n GLY 25 CO 0.00 0.00 0.00 1.98 0.00 0.00 0.00 173.32 175.30 3d49 h MET 26 N 0.25 0.00 -2.03 1.61 -1.53 -1.78 -3.35 114.93 108.10 3d49 h MET 26 Ca -0.08 0.00 -0.54 0.00 -3.44 0.00 0.00 59.70 55.64 3d49 h MET 26 Cb 0.72 0.00 -0.40 0.00 -0.55 0.00 0.00 31.60 31.37 3d49 h MET 26 CO 0.12 0.26 -1.08 0.43 0.14 0.00 0.00 176.91 176.77 3d49 n SER 27 N -3.42 0.84 0.00 1.39 7.64 -1.26 -4.98 113.62 113.84 3d49 n SER 27 Ca 0.00 -2.90 0.09 0.00 1.01 0.00 0.00 58.87 57.07 3d49 n SER 27 Cb 0.45 -0.63 0.48 0.00 -1.01 0.00 0.00 64.21 63.50 3d49 n SER 27 CO 0.00 0.00 0.00 -0.81 -3.01 0.00 0.00 175.04 171.22 3d49 n PRO 28 N 0.90 0.32 0.00 1.43 -0.04 -1.26 -0.94 135.00 135.41 3d49 n PRO 28 Ca 0.23 0.09 0.12 0.00 -0.04 0.00 0.00 63.50 63.91 3d49 n PRO 28 Cb 0.56 -1.50 0.27 0.00 -0.04 0.00 0.00 33.50 32.79 3d49 n PRO 28 CO 0.00 0.00 0.00 -2.67 -0.04 0.00 0.00 175.50 172.79 3d49 n TRP 29 N -1.24 0.00 -2.18 0.54 2.14 -1.03 -1.26 117.44 114.42 3d49 n TRP 29 Ca 0.10 0.00 -0.41 0.00 2.07 0.00 0.00 57.50 59.25 3d49 n TRP 29 Cb 0.13 -0.07 -0.03 0.00 -0.81 0.00 0.00 31.31 30.54 3d49 n TRP 29 CO 0.00 0.00 0.00 -1.14 2.07 0.00 0.00 177.69 178.62 3d49 s GLN 30 N -2.41 4.38 0.01 -2.67 2.00 -0.11 -0.62 119.66 120.24 3d49 s GLN 30 Ca 0.24 2.11 0.07 0.00 -2.00 0.00 0.00 55.36 55.78 3d49 s GLN 30 Cb 0.19 -3.16 -0.02 0.00 0.80 0.00 0.00 33.01 30.82 3d49 s GLN 30 CO 0.50 -0.24 -0.21 0.08 -0.50 0.00 0.00 175.29 174.92 3d49 s VAL 31 N -0.17 1.66 -0.21 1.34 1.01 -0.25 -3.99 120.40 119.79 3d49 s VAL 31 Ca 0.55 -1.03 -0.06 0.00 0.00 0.00 0.00 61.98 61.45 3d49 s VAL 31 Cb -0.38 -1.41 -0.03 0.00 0.00 0.00 0.00 36.38 34.57 3d49 s VAL 31 CO 0.41 0.35 0.02 -0.32 0.00 0.00 0.00 175.10 175.57 3d49 s MET 32 N -0.80 3.65 -0.20 2.72 1.75 -0.23 -1.82 119.30 124.37 3d49 s MET 32 Ca 0.08 -0.50 -0.23 0.00 -1.25 0.00 0.00 55.69 53.79 3d49 s MET 32 Cb -0.08 -3.14 -0.02 0.00 2.84 0.00 0.00 34.83 34.43 3d49 s MET 32 CO 0.00 -0.01 0.73 -0.51 -0.65 0.00 0.00 175.02 174.58 3d49 s LEU 33 N 1.08 4.14 -0.11 4.11 1.43 0.74 -0.83 118.68 129.23 3d49 s LEU 33 Ca 0.03 0.96 0.02 0.00 -1.03 0.00 0.00 54.13 54.12 3d49 s LEU 33 Cb -0.14 -3.04 0.01 0.00 0.03 0.00 0.00 46.19 43.04 3d49 s LEU 33 CO 0.02 -0.36 -0.19 0.12 0.23 0.00 0.00 176.35 176.17 3d49 s PHE 34 N 2.19 2.28 0.04 0.29 2.19 -0.43 0.00 117.98 124.54 3d49 s PHE 34 Ca 0.33 -1.06 -0.30 0.00 0.33 0.00 0.00 56.93 56.22 3d49 s PHE 34 Cb -0.16 -1.58 -0.05 0.00 -1.31 0.00 0.00 43.02 39.91 3d49 s PHE 34 CO 0.10 -0.49 1.24 0.50 1.83 0.00 0.00 175.22 178.40 3d49 s ARG 35 N 0.77 4.39 0.17 10.12 3.52 0.17 -1.47 118.95 136.62 3d49 s ARG 35 Ca -0.10 1.80 -0.04 0.00 -0.13 0.00 0.00 55.73 57.26 3d49 s ARG 35 Cb -0.16 -3.40 0.05 0.00 -1.56 0.00 0.00 34.95 29.88 3d49 s ARG 35 CO 0.01 -0.35 1.45 0.87 -0.81 0.00 0.00 175.30 176.48 3d49 h LYS 36 N 7.05 0.55 -1.06 5.12 1.57 -1.83 -2.83 116.57 125.14 3d49 h LYS 36 Ca -0.40 -0.39 0.07 0.00 -1.87 0.00 0.00 60.65 58.06 3d49 h LYS 36 Cb 1.20 0.06 -0.22 0.00 0.08 0.00 0.00 32.23 33.36 3d49 h LYS 36 CO 0.84 1.01 -0.30 -1.12 -0.57 0.00 0.00 179.45 179.31 3d49 s SER 36 N -6.96 -1.31 0.37 0.86 0.01 -1.26 -3.59 113.70 101.82 3d49 s SER 36 Ca -0.07 0.76 -0.25 0.00 1.31 0.00 0.00 55.95 57.70 3d49 s SER 36 Cb 0.11 2.09 -0.09 0.00 0.21 0.00 0.00 66.02 68.34 3d49 s SER 36 CO 0.85 -0.27 1.07 -2.16 0.41 0.00 0.00 173.24 173.15 3d49 s PRO 37 N 2.84 4.25 0.11 12.44 0.04 -1.26 -5.07 135.00 148.34 3d49 s PRO 37 Ca 0.19 1.62 -0.31 0.00 0.04 0.00 0.00 61.00 62.54 3d49 s PRO 37 Cb -0.14 -2.70 -0.10 0.00 0.04 0.00 0.00 34.50 31.60 3d49 s PRO 37 CO -0.21 -0.09 1.82 -0.65 0.04 0.00 0.00 177.00 177.91 3d49 s GLN 38 N -2.25 4.14 -0.01 4.56 -0.21 -1.23 -4.61 119.66 120.05 3d49 s GLN 38 Ca 0.55 2.58 -0.28 0.00 0.02 0.00 0.00 55.36 58.22 3d49 s GLN 38 Cb -0.25 -3.63 0.10 0.00 1.00 0.00 0.00 33.01 30.23 3d49 s GLN 38 CO 0.32 -0.84 0.86 -1.83 -2.12 0.00 0.00 175.29 171.67 3d49 s GLU 39 N 2.84 0.85 0.24 2.91 -1.05 -1.07 -4.96 118.70 118.46 3d49 s GLU 39 Ca 0.81 -0.21 -0.31 0.00 -0.15 0.00 0.00 54.97 55.10 3d49 s GLU 39 Cb -0.45 0.40 -0.13 0.00 -0.44 0.00 0.00 34.13 33.51 3d49 s GLU 39 CO 0.36 -0.35 1.56 -0.11 0.95 0.00 0.00 175.26 177.67 3d49 n LEU 40 N -0.03 3.69 -0.11 1.83 7.94 -1.26 -0.65 117.00 128.40 3d49 n LEU 40 Ca -0.11 1.12 -0.21 0.00 -1.11 0.00 0.00 56.01 55.70 3d49 n LEU 40 Cb 0.61 -1.51 -0.09 0.00 0.53 0.00 0.00 43.42 42.97 3d49 n LEU 40 CO 0.12 -0.12 -1.24 0.18 -1.11 0.00 0.00 177.39 175.23 3d49 n LEU 41 N 2.71 2.05 -3.77 -1.96 4.32 0.10 -4.79 117.00 115.66 3d49 n LEU 41 Ca 0.12 0.14 -0.03 0.00 -0.02 0.00 0.00 56.01 56.22 3d49 n LEU 41 Cb 0.33 -0.68 -0.01 0.00 -1.62 0.00 0.00 43.42 41.44 3d49 n LEU 41 CO 0.63 0.60 0.74 0.00 -1.22 0.00 0.00 177.39 178.14 3d49 s GLY 43 N -3.02 1.77 -0.04 0.00 0.00 0.19 -0.19 107.32 106.03 3d49 s GLY 43 Ca 0.14 -1.48 -0.30 0.00 0.00 0.00 0.00 44.72 43.07 3d49 s GLY 43 CO 0.03 -1.00 1.33 0.00 0.00 0.00 0.00 173.10 173.46 3d49 s ALA 44 N -3.11 -2.45 0.01 3.20 0.00 -0.76 -3.64 121.76 115.03 3d49 s ALA 44 Ca 0.64 0.47 -0.04 0.00 0.00 0.00 0.00 51.96 53.03 3d49 s ALA 44 Cb -0.07 0.58 -0.01 0.00 0.00 0.00 0.00 23.12 23.62 3d49 s ALA 44 CO 0.43 -1.10 0.06 -1.54 0.00 0.00 0.00 175.76 173.61 3d49 s SER 45 N -3.38 0.12 -0.23 0.00 1.04 0.27 -1.09 113.70 110.43 3d49 s SER 45 Ca 0.22 -0.34 -0.21 0.00 0.48 0.00 0.00 55.95 56.09 3d49 s SER 45 Cb 0.03 0.16 -0.02 0.00 0.10 0.00 0.00 66.02 66.29 3d49 s SER 45 CO -0.03 -0.34 0.67 -0.22 0.98 0.00 0.00 173.24 174.29 3d49 s LEU 46 N -1.44 4.09 0.00 2.42 2.96 0.21 -0.99 118.68 125.93 3d49 s LEU 46 Ca -0.15 0.82 0.07 0.00 -0.22 0.00 0.00 54.13 54.65 3d49 s LEU 46 Cb -0.08 -2.94 0.00 0.00 0.50 0.00 0.00 46.19 43.67 3d49 s LEU 46 CO 0.00 -0.37 0.53 2.30 -1.32 0.00 0.00 176.35 177.49 3d49 n ILE 47 N 5.04 0.00 -3.86 6.68 -5.35 -0.58 -1.65 119.36 119.63 3d49 n ILE 47 Ca 0.00 -0.43 -0.03 0.00 -0.27 0.00 0.00 62.75 62.02 3d49 n ILE 47 Cb 0.49 1.08 0.02 0.00 -1.74 0.00 0.00 39.64 39.49 3d49 n ILE 47 CO 0.00 0.00 0.00 -1.54 -1.76 0.00 0.00 176.55 173.25 3d49 n SER 48 N -0.29 -1.68 0.00 7.28 3.41 -1.18 -4.73 113.62 116.44 3d49 n SER 48 Ca 0.03 -1.91 0.09 0.00 -0.26 0.00 0.00 58.87 56.82 3d49 n SER 48 Cb 0.15 2.73 0.44 0.00 -0.26 0.00 0.00 64.21 67.27 3d49 n SER 48 CO 0.00 0.00 0.00 -0.90 -0.16 0.00 0.00 175.04 173.98 3d49 n ASP 49 N -1.28 0.00 0.00 4.04 5.68 -1.26 -3.47 116.55 120.26 3d49 n ASP 49 Ca -0.03 0.07 0.00 0.00 -0.50 0.00 0.00 54.79 54.33 3d49 n ASP 49 Cb 0.55 -0.30 0.00 0.00 -1.14 0.00 0.00 41.12 40.23 3d49 n ASP 49 CO 0.00 0.00 0.00 0.54 -1.33 0.00 0.00 177.20 176.41 3d49 n ARG 50 N -1.30 0.35 -5.04 0.11 5.12 -1.26 -1.41 116.66 113.22 3d49 n ARG 50 Ca 0.08 -0.50 -0.29 0.00 -1.93 0.00 0.00 57.85 55.21 3d49 n ARG 50 Cb 0.15 -0.61 -0.16 0.00 -1.16 0.00 0.00 32.46 30.68 3d49 n ARG 50 CO 0.00 0.00 0.00 -1.58 -1.93 0.00 0.00 177.63 174.12 3d49 s TRP 51 N -0.14 2.05 -0.06 -1.55 0.52 -1.23 -0.78 118.94 117.75 3d49 s TRP 51 Ca 0.00 -0.60 0.05 0.00 0.02 0.00 0.00 56.10 55.57 3d49 s TRP 51 Cb 0.00 -1.36 -0.00 0.00 -1.15 0.00 0.00 33.47 30.96 3d49 s TRP 51 CO 0.00 -0.19 -0.21 0.08 0.02 0.00 0.00 176.95 176.65 3d49 s VAL 52 N -0.06 1.78 -0.16 4.03 1.01 -0.40 -1.53 120.40 125.07 3d49 s VAL 52 Ca -0.04 -0.90 -0.06 0.00 0.00 0.00 0.00 61.98 60.99 3d49 s VAL 52 Cb -0.12 -1.52 -0.04 0.00 0.00 0.00 0.00 36.38 34.69 3d49 s VAL 52 CO 0.03 0.50 0.05 -0.22 0.00 0.00 0.00 175.10 175.46 3d49 s LEU 53 N 0.08 3.80 0.00 3.92 2.96 -0.16 0.14 118.68 129.41 3d49 s LEU 53 Ca -0.08 0.12 -0.01 0.00 -0.22 0.00 0.00 54.13 53.94 3d49 s LEU 53 Cb -0.14 -1.94 0.00 0.00 0.50 0.00 0.00 46.19 44.62 3d49 s LEU 53 CO 0.04 0.24 0.25 1.07 -1.32 0.00 0.00 176.35 176.63 3d49 n THR 54 N 3.10 0.00 -3.11 3.68 5.66 -0.39 -0.56 114.28 122.66 3d49 n THR 54 Ca -0.17 -0.89 -0.39 0.00 -3.05 0.00 0.00 64.05 59.55 3d49 n THR 54 Cb 0.53 0.55 -0.06 0.00 -1.55 0.00 0.00 70.33 69.80 3d49 n THR 54 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 3d49 s ALA 55 N -2.17 3.47 0.27 1.79 0.00 -1.26 -1.41 121.76 122.45 3d49 s ALA 55 Ca 0.14 0.18 -0.00 0.00 0.00 0.00 0.00 51.96 52.28 3d49 s ALA 55 Cb -0.01 -2.84 0.51 0.00 0.00 0.00 0.00 23.12 20.78 3d49 s ALA 55 CO 0.10 0.22 1.83 0.00 0.00 0.00 0.00 175.76 177.92 3d49 h ALA 56 N 5.07 1.42 0.00 0.00 0.00 -1.69 -2.25 119.26 121.81 3d49 h ALA 56 Ca -0.46 0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.47 3d49 h ALA 56 Cb 1.21 -0.19 0.00 0.00 0.00 0.00 0.00 17.79 18.81 3d49 h ALA 56 CO 0.68 0.19 0.00 1.12 0.00 0.00 0.00 179.25 181.24 3d49 h HIS 57 N 0.94 0.00 0.00 0.00 2.07 -1.89 0.53 115.15 116.80 3d49 h HIS 57 Ca 0.47 0.00 -0.03 0.00 -2.85 0.00 0.00 60.37 57.96 3d49 h HIS 57 Cb 0.45 0.00 -0.00 0.00 2.57 0.00 0.00 27.41 30.43 3d49 h HIS 57 CO -0.02 0.00 -0.15 0.00 -3.07 0.00 0.00 177.93 174.69 3d49 n LEU 59 N -3.60 2.73 -3.78 0.00 4.77 -0.01 -4.89 117.00 112.22 3d49 n LEU 59 Ca -0.01 -0.07 -0.28 0.00 -0.03 0.00 0.00 56.01 55.62 3d49 n LEU 59 Cb 0.28 -0.43 -0.16 0.00 -2.33 0.00 0.00 43.42 40.78 3d49 n LEU 59 CO 0.31 0.70 -0.38 -0.22 -1.33 0.00 0.00 177.39 176.47 3d49 s LEU 60 N -5.75 1.43 0.17 2.23 2.96 -0.09 -0.56 118.68 119.07 3d49 s LEU 60 Ca -0.18 -0.87 -0.12 0.00 -0.22 0.00 0.00 54.13 52.74 3d49 s LEU 60 Cb 0.05 -0.70 0.00 0.00 0.50 0.00 0.00 46.19 46.04 3d49 s LEU 60 CO 0.34 -0.29 0.35 -0.47 -1.32 0.00 0.00 176.35 174.96 3d49 s TYR 60 N 1.77 0.20 0.00 5.38 5.04 0.36 -4.10 117.35 126.00 3d49 s TYR 60 Ca -0.02 -0.56 0.00 0.00 -2.44 0.00 0.00 57.07 54.06 3d49 s TYR 60 Cb -0.17 0.09 0.00 0.00 0.35 0.00 0.00 41.96 42.23 3d49 s TYR 60 CO -0.08 -0.76 0.00 -2.30 -1.34 0.00 0.00 175.55 171.07 3d49 n PRO 60 N -0.24 0.00 -0.69 4.97 -0.02 -1.26 -1.69 135.00 136.07 3d49 n PRO 60 Ca -0.09 0.00 0.05 0.00 -2.02 0.00 0.00 63.50 61.43 3d49 n PRO 60 Cb 0.63 0.00 0.30 0.00 -0.02 0.00 0.00 33.50 34.41 3d49 n PRO 60 CO 0.00 0.00 0.00 0.91 1.98 0.00 0.00 175.50 178.39 3d49 n TRP 60 N 0.00 1.50 -3.62 6.00 8.01 -1.26 -4.94 117.44 123.13 3d49 n TRP 60 Ca 0.00 -0.96 -0.27 0.00 -1.31 0.00 0.00 57.50 54.96 3d49 n TRP 60 Cb 0.00 -0.45 0.01 0.00 -2.01 0.00 0.00 31.31 28.87 3d49 n TRP 60 CO 0.00 0.00 0.00 -0.25 -1.01 0.00 0.00 177.69 176.43 3d49 n ASP 60 N -0.23 -4.44 -4.59 -0.99 8.00 -1.15 -4.96 116.55 108.20 3d49 n ASP 60 Ca 0.27 -0.59 -0.35 0.00 0.71 0.00 0.00 54.79 54.84 3d49 n ASP 60 Cb 1.07 -3.60 -0.10 0.00 -0.02 0.00 0.00 41.12 38.46 3d49 n ASP 60 CO 0.00 0.00 0.00 -0.75 -0.39 0.00 0.00 177.20 176.06 3d49 s LYS 60 N -6.31 3.89 -0.41 -1.24 2.20 -0.68 -5.01 119.74 112.18 3d49 s LYS 60 Ca 0.53 -0.39 0.05 0.00 -0.36 0.00 0.00 55.97 55.80 3d49 s LYS 60 Cb -0.27 -3.21 0.18 0.00 -1.51 0.00 0.00 37.83 33.02 3d49 s LYS 60 CO 0.65 0.18 0.73 1.21 -0.36 0.00 0.00 175.35 177.76 3d49 s ASN 60 N 0.61 -1.29 0.12 1.43 3.04 -1.21 -0.49 114.94 117.16 3d49 s ASN 60 Ca 0.03 -0.83 -0.08 0.00 0.04 0.00 0.00 52.86 52.02 3d49 s ASN 60 Cb -0.13 1.65 -0.06 0.00 -1.54 0.00 0.00 41.25 41.17 3d49 s ASN 60 CO 0.02 -0.12 0.41 -0.36 -3.04 0.00 0.00 177.10 174.00 3d49 s PHE 60 N 1.67 3.53 0.39 0.43 0.08 0.28 -5.02 117.98 119.33 3d49 s PHE 60 Ca 0.18 0.72 0.08 0.00 0.12 0.00 0.00 56.93 58.03 3d49 s PHE 60 Cb -0.02 -2.12 -0.03 0.00 -0.57 0.00 0.00 43.02 40.29 3d49 s PHE 60 CO -0.08 0.46 0.32 -0.08 -0.10 0.00 0.00 175.22 175.74 3d49 s THR 60 N -1.54 2.93 0.25 0.64 -1.32 -1.26 -4.91 115.64 110.43 3d49 s THR 60 Ca 0.37 -1.40 -0.05 0.00 -1.21 0.00 0.00 61.69 59.41 3d49 s THR 60 Cb -0.13 -3.05 0.25 0.00 -1.51 0.00 0.00 72.50 68.06 3d49 s THR 60 CO 0.21 -0.07 1.67 -0.33 -2.21 0.00 0.00 174.62 173.89 3d49 h GLU 61 N 1.15 0.22 0.00 7.08 3.07 -1.95 -1.34 114.58 122.82 3d49 h GLU 61 Ca -0.43 -0.01 0.00 0.00 -0.50 0.00 0.00 59.36 58.42 3d49 h GLU 61 Cb 1.26 -0.05 0.00 0.00 -0.84 0.00 0.00 28.75 29.12 3d49 h GLU 61 CO 0.59 0.15 0.00 0.09 -1.40 0.00 0.00 179.01 178.44 3d49 n ASN 62 N -5.20 0.00 0.11 1.42 4.13 -1.26 -2.16 115.26 112.30 3d49 n ASN 62 Ca 0.15 0.15 0.12 0.00 1.68 0.00 0.00 54.58 56.68 3d49 n ASN 62 Cb 0.48 -0.36 0.45 0.00 -1.54 0.00 0.00 39.78 38.81 3d49 n ASN 62 CO 0.00 0.00 0.00 0.47 0.28 0.00 0.00 177.26 178.01 3d49 n ASP 63 N -1.36 0.70 -4.20 6.41 8.00 -0.50 -4.95 116.55 120.64 3d49 n ASP 63 Ca 0.09 0.60 -0.12 0.00 0.71 0.00 0.00 54.79 56.07 3d49 n ASP 63 Cb 0.21 -0.78 -0.10 0.00 -0.02 0.00 0.00 41.12 40.43 3d49 n ASP 63 CO 0.00 0.00 0.00 -0.76 -0.39 0.00 0.00 177.20 176.05 3d49 s LEU 64 N -4.39 2.51 0.10 0.64 1.43 -0.92 -2.69 118.68 115.36 3d49 s LEU 64 Ca 0.08 -0.99 0.07 0.00 -1.03 0.00 0.00 54.13 52.26 3d49 s LEU 64 Cb 0.11 -0.21 -0.03 0.00 0.03 0.00 0.00 46.19 46.09 3d49 s LEU 64 CO 0.51 -0.39 -0.17 -0.76 0.23 0.00 0.00 176.35 175.77 3d49 s LEU 65 N -3.02 2.33 -0.09 1.79 1.43 -0.54 -4.44 118.68 116.14 3d49 s LEU 65 Ca 0.13 -0.72 -0.00 0.00 -1.03 0.00 0.00 54.13 52.51 3d49 s LEU 65 Cb 0.03 -0.68 -0.03 0.00 0.03 0.00 0.00 46.19 45.55 3d49 s LEU 65 CO -0.02 -0.05 -0.08 0.68 0.23 0.00 0.00 176.35 177.12 3d49 s VAL 66 N -1.54 3.61 -0.17 -1.59 -7.23 0.22 -1.31 120.40 112.39 3d49 s VAL 66 Ca 0.05 -0.49 0.01 0.00 -1.81 0.00 0.00 61.98 59.74 3d49 s VAL 66 Cb -0.08 -2.50 0.01 0.00 0.56 0.00 0.00 36.38 34.37 3d49 s VAL 66 CO 0.04 0.56 -0.18 -0.13 -0.31 0.00 0.00 175.10 175.08 3d49 s ARG 67 N -0.39 3.08 0.05 4.82 0.52 -0.01 -0.45 118.95 126.58 3d49 s ARG 67 Ca 0.05 -0.80 0.09 0.00 -0.52 0.00 0.00 55.73 54.56 3d49 s ARG 67 Cb -0.12 -2.60 -0.03 0.00 0.52 0.00 0.00 34.95 32.72 3d49 s ARG 67 CO 0.02 -0.13 -0.26 0.42 0.02 0.00 0.00 175.30 175.37 3d49 s ILE 68 N 1.12 2.13 0.00 1.52 1.01 0.28 -1.07 121.20 126.20 3d49 s ILE 68 Ca 0.01 -1.41 0.00 0.00 0.00 0.00 0.00 60.65 59.25 3d49 s ILE 68 Cb -0.14 -1.83 0.00 0.00 0.01 0.00 0.00 42.46 40.50 3d49 s ILE 68 CO -0.07 0.34 0.00 0.61 0.00 0.00 0.00 174.94 175.82 3d49 n GLY 69 N 1.72 0.76 3.88 6.18 0.00 -1.26 -0.53 105.19 115.95 3d49 n GLY 69 Ca -0.17 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.56 3d49 n GLY 69 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3d49 s LYS 70 N -0.57 3.68 0.14 1.61 1.02 -1.26 -4.27 119.74 120.09 3d49 s LYS 70 Ca 0.00 0.43 0.00 0.00 0.02 0.00 0.00 55.97 56.42 3d49 s LYS 70 Cb 0.00 -2.33 0.00 0.00 -0.52 0.00 0.00 37.83 34.98 3d49 s LYS 70 CO 0.00 -0.18 0.00 1.58 -0.92 0.00 0.00 175.35 175.83 3d49 n HIS 71 N -1.84 -0.85 -2.01 3.18 -0.00 -1.26 -4.93 115.22 107.52 3d49 n HIS 71 Ca 0.02 0.15 -0.40 0.00 -0.00 0.00 0.00 57.72 57.49 3d49 n HIS 71 Cb 0.54 0.24 -0.01 0.00 -0.00 0.00 0.00 29.99 30.77 3d49 n HIS 71 CO 0.00 0.00 0.00 -1.54 -0.00 0.00 0.00 176.34 174.80 3d49 s SER 72 N -5.33 6.37 -0.01 0.26 1.04 -1.26 -0.58 113.70 114.19 3d49 s SER 72 Ca 0.00 2.74 -0.24 0.00 0.48 0.00 0.00 55.95 58.93 3d49 s SER 72 Cb 0.00 -2.65 -0.17 0.00 0.10 0.00 0.00 66.02 63.30 3d49 s SER 72 CO 0.00 -0.82 1.19 -0.09 0.98 0.00 0.00 173.24 174.50 3d49 h ARG 73 N 2.84 -0.25 0.00 4.02 2.43 -1.20 -3.39 114.38 118.83 3d49 h ARG 73 Ca -0.50 0.02 -0.21 0.00 -0.81 0.00 0.00 59.98 58.48 3d49 h ARG 73 Cb 1.24 0.06 -0.04 0.00 -0.42 0.00 0.00 29.97 30.81 3d49 h ARG 73 CO 0.63 0.12 -1.83 0.25 -1.51 0.00 0.00 179.97 177.64 3d49 n THR 74 N -5.02 1.10 -2.38 0.20 -2.24 -1.26 -4.96 114.28 99.72 3d49 n THR 74 Ca -0.09 -0.72 -0.33 0.00 -2.27 0.00 0.00 64.05 60.64 3d49 n THR 74 Cb 0.25 -0.57 -0.03 0.00 -2.10 0.00 0.00 70.33 67.89 3d49 n THR 74 CO 0.00 0.00 0.00 -0.13 -0.57 0.00 0.00 175.07 174.37 3d49 s ARG 75 N -2.86 3.77 -0.42 -0.78 3.00 -1.26 -4.99 118.95 115.42 3d49 s ARG 75 Ca -0.06 1.13 -0.26 0.00 0.00 0.00 0.00 55.73 56.55 3d49 s ARG 75 Cb 0.09 -2.10 0.02 0.00 0.00 0.00 0.00 34.95 32.95 3d49 s ARG 75 CO 0.83 -0.43 0.94 -0.47 0.00 0.00 0.00 175.30 176.17 3d49 s TYR 76 N -2.38 2.99 -1.15 -0.53 5.04 -1.26 -4.89 117.35 115.18 3d49 s TYR 76 Ca 0.62 0.59 -0.10 0.00 -2.44 0.00 0.00 57.07 55.75 3d49 s TYR 76 Cb -0.13 -3.83 0.25 0.00 0.35 0.00 0.00 41.96 38.60 3d49 s TYR 76 CO 0.28 -0.97 1.25 0.39 -1.34 0.00 0.00 175.55 175.15 3d49 n GLU 77 N 7.00 3.56 -1.60 4.97 1.02 -1.26 -4.97 120.64 129.36 3d49 n GLU 77 Ca 0.07 -4.28 -0.51 0.00 -0.02 0.00 0.00 57.16 52.41 3d49 n GLU 77 Cb 0.48 -2.69 -0.06 0.00 -0.02 0.00 0.00 31.44 29.16 3d49 n GLU 77 CO 0.00 0.00 0.00 -2.13 1.18 0.00 0.00 177.13 176.18 3d49 n ARG 77 N 3.41 1.29 -1.02 3.49 0.63 -1.26 -1.22 116.66 121.98 3d49 n ARG 77 Ca 0.28 0.47 -0.01 0.00 -0.92 0.00 0.00 57.85 57.67 3d49 n ARG 77 Cb 0.40 -2.13 -0.00 0.00 0.45 0.00 0.00 32.46 31.17 3d49 n ARG 77 CO 0.00 0.00 0.00 0.09 -2.51 0.00 0.00 177.63 175.21 3d49 n ASN 78 N 2.70 -3.57 0.08 6.15 4.13 -1.26 -4.78 115.26 118.71 3d49 n ASN 78 Ca 0.18 0.01 0.00 0.00 1.68 0.00 0.00 54.58 56.46 3d49 n ASN 78 Cb 0.20 -1.12 0.00 0.00 -1.54 0.00 0.00 39.78 37.32 3d49 n ASN 78 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 3d49 n ILE 79 N -2.81 0.14 -1.23 2.41 3.06 -0.52 -5.08 119.36 115.33 3d49 n ILE 79 Ca -0.01 0.05 -0.32 0.00 -2.50 0.00 0.00 62.75 59.97 3d49 n ILE 79 Cb 0.10 -0.51 0.10 0.00 0.54 0.00 0.00 39.64 39.88 3d49 n ILE 79 CO 0.00 0.00 0.00 -1.83 -2.50 0.00 0.00 176.55 172.22 3d49 s GLU 80 N -1.64 1.98 0.03 9.51 -1.05 -0.36 -4.79 118.70 122.39 3d49 s GLU 80 Ca 0.00 1.45 0.07 0.00 -0.15 0.00 0.00 54.97 56.34 3d49 s GLU 80 Cb 0.00 -1.84 -0.02 0.00 -0.44 0.00 0.00 34.13 31.82 3d49 s GLU 80 CO 0.00 -1.89 -0.19 0.15 0.95 0.00 0.00 175.26 174.27 3d49 s LYS 81 N -4.46 1.34 -0.13 -4.83 -0.14 0.31 -4.90 119.74 106.92 3d49 s LYS 81 Ca 0.67 -0.86 0.01 0.00 -1.36 0.00 0.00 55.97 54.43 3d49 s LYS 81 Cb -0.22 -1.41 -0.00 0.00 -1.68 0.00 0.00 37.83 34.52 3d49 s LYS 81 CO 0.51 0.36 -0.17 0.42 -0.76 0.00 0.00 175.35 175.71 3d49 s ILE 82 N -0.74 2.58 0.00 2.17 1.01 -1.26 -0.56 121.20 124.40 3d49 s ILE 82 Ca 0.06 -0.82 0.06 0.00 0.00 0.00 0.00 60.65 59.96 3d49 s ILE 82 Cb -0.08 -2.06 -0.02 0.00 0.01 0.00 0.00 42.46 40.31 3d49 s ILE 82 CO 0.01 0.53 -0.18 -0.44 0.00 0.00 0.00 174.94 174.86 3d49 s SER 83 N 0.57 2.17 0.25 3.58 0.01 0.41 -4.96 113.70 115.73 3d49 s SER 83 Ca -0.10 -0.38 -0.08 0.00 1.31 0.00 0.00 55.95 56.70 3d49 s SER 83 Cb -0.16 -0.22 -0.06 0.00 0.21 0.00 0.00 66.02 65.79 3d49 s SER 83 CO 0.04 0.19 0.55 -0.04 0.41 0.00 0.00 173.24 174.39 3d49 s MET 84 N -0.66 3.73 -0.02 12.44 1.00 -1.26 -0.61 119.30 133.92 3d49 s MET 84 Ca 0.07 0.17 -0.15 0.00 0.00 0.00 0.00 55.69 55.77 3d49 s MET 84 Cb -0.07 -2.65 -0.05 0.00 0.00 0.00 0.00 34.83 32.05 3d49 s MET 84 CO 0.00 0.27 0.42 -0.51 0.00 0.00 0.00 175.02 175.21 3d49 s LEU 85 N -3.11 4.44 -0.09 -0.03 1.43 -1.26 -1.03 118.68 119.03 3d49 s LEU 85 Ca 0.46 0.94 -0.10 0.00 -1.03 0.00 0.00 54.13 54.40 3d49 s LEU 85 Cb -0.11 -2.61 -0.28 0.00 0.03 0.00 0.00 46.19 43.21 3d49 s LEU 85 CO 0.25 0.26 0.53 -0.08 0.23 0.00 0.00 176.35 177.54 3d49 h GLU 86 N 5.09 0.32 -1.80 1.70 4.81 -0.62 -3.44 114.58 120.66 3d49 h GLU 86 Ca -0.49 -0.55 0.01 0.00 -0.13 0.00 0.00 59.36 58.20 3d49 h GLU 86 Cb 1.21 0.21 -0.24 0.00 0.63 0.00 0.00 28.75 30.56 3d49 h GLU 86 CO 0.64 1.26 0.30 0.21 -0.73 0.00 0.00 179.01 180.69 3d49 s LYS 87 N -2.55 0.67 -0.11 1.92 2.47 -1.14 -4.98 119.74 116.02 3d49 s LYS 87 Ca -0.19 0.79 -0.05 0.00 -1.56 0.00 0.00 55.97 54.97 3d49 s LYS 87 Cb 0.06 0.33 -0.04 0.00 -1.46 0.00 0.00 37.83 36.72 3d49 s LYS 87 CO 0.81 -0.08 0.07 0.42 0.16 0.00 0.00 175.35 176.72 3d49 s ILE 88 N 0.29 4.88 -0.21 5.43 1.01 -1.26 -1.09 121.20 130.26 3d49 s ILE 88 Ca 0.02 -0.03 0.01 0.00 0.00 0.00 0.00 60.65 60.65 3d49 s ILE 88 Cb -0.05 -3.10 0.05 0.00 0.01 0.00 0.00 42.46 39.37 3d49 s ILE 88 CO -0.03 0.60 -0.09 -0.31 0.00 0.00 0.00 174.94 175.11 3d49 s TYR 89 N -0.87 2.44 -0.11 3.97 1.51 0.57 -5.01 117.35 119.85 3d49 s TYR 89 Ca 0.13 -1.64 -0.05 0.00 -1.01 0.00 0.00 57.07 54.50 3d49 s TYR 89 Cb -0.12 -1.64 -0.04 0.00 -0.11 0.00 0.00 41.96 40.06 3d49 s TYR 89 CO 0.03 -0.75 0.08 0.42 -1.11 0.00 0.00 175.55 174.22 3d49 s ILE 90 N 1.39 5.02 0.11 2.71 1.01 -1.26 -0.38 121.20 129.79 3d49 s ILE 90 Ca -0.02 0.03 -0.36 0.00 0.00 0.00 0.00 60.65 60.29 3d49 s ILE 90 Cb -0.17 -3.17 -0.16 0.00 0.01 0.00 0.00 42.46 38.97 3d49 s ILE 90 CO -0.08 0.60 1.41 1.57 0.00 0.00 0.00 174.94 178.44 3d49 n HIS 91 N 2.19 1.73 0.28 3.97 -0.00 -1.07 -4.85 115.22 117.46 3d49 n HIS 91 Ca -0.19 0.53 0.15 0.00 -0.00 0.00 0.00 57.72 58.21 3d49 n HIS 91 Cb 0.54 -2.39 0.80 0.00 -0.00 0.00 0.00 29.99 28.94 3d49 n HIS 91 CO 0.00 0.00 0.00 -1.00 -0.00 0.00 0.00 176.34 175.34 3d49 h PRO 92 N 4.93 0.00 -0.30 1.57 0.13 -1.94 -2.41 132.00 133.98 3d49 h PRO 92 Ca -0.47 0.00 -0.00 0.00 -0.87 0.00 0.00 66.00 64.66 3d49 h PRO 92 Cb 1.31 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.44 3d49 h PRO 92 CO 0.81 0.08 0.00 0.54 -0.23 0.00 0.00 178.00 179.20 3d49 n ARG 93 N -3.48 3.20 -1.69 0.86 1.74 -1.26 -4.98 116.66 111.05 3d49 n ARG 93 Ca -0.02 -2.89 -0.51 0.00 -0.77 0.00 0.00 57.85 53.66 3d49 n ARG 93 Cb 0.22 -1.91 -0.05 0.00 -1.02 0.00 0.00 32.46 29.70 3d49 n ARG 93 CO 0.00 0.00 0.00 0.98 -1.52 0.00 0.00 177.63 177.09 3d49 n TYR 94 N -0.36 2.25 -3.36 -1.55 9.36 -0.91 -4.70 117.16 117.89 3d49 n TYR 94 Ca 0.22 0.15 -0.45 0.00 3.32 0.00 0.00 57.90 61.15 3d49 n TYR 94 Cb 0.94 -2.60 -0.01 0.00 -0.63 0.00 0.00 39.34 37.04 3d49 n TYR 94 CO 0.00 0.00 0.00 1.21 0.22 0.00 0.00 176.86 178.29 3d49 s ASN 95 N 3.80 7.19 0.49 2.98 3.84 0.26 -4.82 114.94 128.68 3d49 s ASN 95 Ca 0.94 -3.51 0.30 0.00 0.21 0.00 0.00 52.86 50.80 3d49 s ASN 95 Cb -0.80 -2.19 1.11 0.00 -0.55 0.00 0.00 41.25 38.83 3d49 s ASN 95 CO 0.55 -0.31 1.88 4.11 -2.79 0.00 0.00 177.10 180.54 3d49 h TRP 96 N 6.74 0.00 -0.06 0.43 5.08 -1.91 0.44 115.95 126.66 3d49 h TRP 96 Ca 0.17 0.00 -0.17 0.00 1.08 0.00 0.00 58.89 59.97 3d49 h TRP 96 Cb 0.89 0.00 -0.01 0.00 -3.00 0.00 0.00 29.16 27.04 3d49 h TRP 96 CO 0.78 0.00 -0.68 0.00 -1.28 0.00 0.00 178.44 177.26 3d49 h ARG 97 N 0.00 0.29 0.00 0.12 3.08 -1.99 -3.44 114.38 112.44 3d49 h ARG 97 Ca 0.00 -0.23 0.00 0.00 0.07 0.00 0.00 59.98 59.82 3d49 h ARG 97 Cb 0.60 0.04 0.00 0.00 0.08 0.00 0.00 29.97 30.70 3d49 h ARG 97 CO 0.00 0.87 0.00 -1.91 -1.07 0.00 0.00 179.97 177.86 3d49 n GLU 97 N -3.83 0.00 -0.03 0.04 2.13 -1.24 -4.99 120.64 112.73 3d49 n GLU 97 Ca -0.03 0.00 0.00 0.00 0.66 0.00 0.00 57.16 57.79 3d49 n GLU 97 Cb 0.67 -0.05 0.00 0.00 0.27 0.00 0.00 31.44 32.34 3d49 n GLU 97 CO 0.00 0.00 0.00 0.27 -0.41 0.00 0.00 177.13 176.99 3d49 n ASN 98 N -2.37 0.78 -1.56 4.31 0.23 -1.21 -5.00 115.26 110.45 3d49 n ASN 98 Ca 0.00 -1.47 -0.14 0.00 -0.53 0.00 0.00 54.58 52.44 3d49 n ASN 98 Cb 0.00 -0.02 -0.02 0.00 -2.08 0.00 0.00 39.78 37.66 3d49 n ASN 98 CO 0.00 0.00 0.00 0.18 -0.93 0.00 0.00 177.26 176.51 3d49 n LEU 99 N -0.22 -1.56 -4.76 -4.53 4.77 0.15 -4.97 117.00 105.88 3d49 n LEU 99 Ca 0.01 0.04 -0.41 0.00 -0.03 0.00 0.00 56.01 55.61 3d49 n LEU 99 Cb 0.43 -2.18 -0.01 0.00 -2.33 0.00 0.00 43.42 39.34 3d49 n LEU 99 CO 0.00 -0.24 1.14 -0.67 -1.33 0.00 0.00 177.39 176.29 3d49 n ASP 100 N -0.68 3.71 -3.12 -1.43 2.03 -1.22 -2.78 116.55 113.05 3d49 n ASP 100 Ca -0.17 1.20 -0.16 0.00 0.52 0.00 0.00 54.79 56.19 3d49 n ASP 100 Cb 0.61 -1.60 0.08 0.00 -0.72 0.00 0.00 41.12 39.48 3d49 n ASP 100 CO 0.00 0.00 0.00 0.54 -1.92 0.00 0.00 177.20 175.82 3d49 n ARG 101 N 0.93 -5.95 -2.66 -0.67 1.74 -1.26 -0.58 116.66 108.21 3d49 n ARG 101 Ca 0.04 0.74 -0.43 0.00 -0.77 0.00 0.00 57.85 57.42 3d49 n ARG 101 Cb 0.38 -5.43 -0.00 0.00 -1.02 0.00 0.00 32.46 26.39 3d49 n ARG 101 CO 0.00 0.00 0.00 0.34 -1.52 0.00 0.00 177.63 176.45 3d49 s ASP 102 N -4.03 6.83 -0.08 0.55 2.15 -1.12 -4.24 116.67 116.74 3d49 s ASP 102 Ca 0.08 -2.41 -0.15 0.00 0.43 0.00 0.00 52.55 50.50 3d49 s ASP 102 Cb -0.04 -2.54 0.03 0.00 -0.30 0.00 0.00 42.92 40.08 3d49 s ASP 102 CO 0.63 -1.13 0.36 -0.51 -0.17 0.00 0.00 175.17 174.35 3d49 s ILE 103 N 3.79 0.03 -0.04 4.11 2.07 -1.26 -3.81 121.20 126.08 3d49 s ILE 103 Ca 0.50 -0.21 -0.12 0.00 -1.41 0.00 0.00 60.65 59.41 3d49 s ILE 103 Cb 0.02 -0.59 0.02 0.00 0.13 0.00 0.00 42.46 42.04 3d49 s ILE 103 CO 0.04 -0.12 0.27 0.00 -1.91 0.00 0.00 174.94 173.22 3d49 s ALA 104 N -0.55 -0.68 0.07 1.50 0.00 -0.50 -2.59 121.76 119.01 3d49 s ALA 104 Ca -0.07 0.41 0.05 0.00 0.00 0.00 0.00 51.96 52.35 3d49 s ALA 104 Cb -0.04 -0.11 -0.04 0.00 0.00 0.00 0.00 23.12 22.94 3d49 s ALA 104 CO 0.03 -0.21 -0.03 -0.51 0.00 0.00 0.00 175.76 175.04 3d49 s LEU 105 N -0.84 3.34 -0.09 0.00 1.43 0.49 -1.26 118.68 121.74 3d49 s LEU 105 Ca -0.09 -0.19 0.03 0.00 -1.03 0.00 0.00 54.13 52.85 3d49 s LEU 105 Cb -0.05 -2.04 0.01 0.00 0.03 0.00 0.00 46.19 44.14 3d49 s LEU 105 CO 0.02 0.21 -0.19 -0.04 0.23 0.00 0.00 176.35 176.58 3d49 s MET 106 N -2.05 2.51 -0.22 1.70 -1.94 0.12 -0.31 119.30 119.10 3d49 s MET 106 Ca 0.23 -0.69 -0.15 0.00 -1.71 0.00 0.00 55.69 53.37 3d49 s MET 106 Cb -0.11 -1.96 -0.04 0.00 2.01 0.00 0.00 34.83 34.72 3d49 s MET 106 CO 0.15 0.09 0.35 0.21 -0.01 0.00 0.00 175.02 175.81 3d49 s LYS 107 N 0.55 4.13 0.43 2.03 2.20 -0.25 -1.27 119.74 127.56 3d49 s LYS 107 Ca -0.15 0.09 -0.19 0.00 -0.36 0.00 0.00 55.97 55.36 3d49 s LYS 107 Cb -0.17 -3.56 -0.10 0.00 -1.51 0.00 0.00 37.83 32.50 3d49 s LYS 107 CO 0.05 -0.06 0.92 -0.51 -0.36 0.00 0.00 175.35 175.39 3d49 s LEU 108 N 1.38 3.90 0.27 5.43 1.43 0.04 0.05 118.68 131.18 3d49 s LEU 108 Ca 0.16 1.59 -0.02 0.00 -1.03 0.00 0.00 54.13 54.82 3d49 s LEU 108 Cb -0.15 -4.45 0.37 0.00 0.03 0.00 0.00 46.19 42.00 3d49 s LEU 108 CO 0.08 -0.38 1.86 0.50 0.23 0.00 0.00 176.35 178.64 3d49 h LYS 109 N 1.76 0.96 -3.89 1.70 3.64 -1.36 -3.41 116.57 115.97 3d49 h LYS 109 Ca -0.48 -0.15 -0.19 0.00 -1.27 0.00 0.00 60.65 58.56 3d49 h LYS 109 Cb 1.18 -0.17 -0.23 0.00 -0.41 0.00 0.00 32.23 32.60 3d49 h LYS 109 CO 0.62 0.78 -0.70 0.15 -2.27 0.00 0.00 179.45 178.02 3d49 s LYS 110 N -5.47 0.23 0.50 1.90 1.02 -1.26 -4.98 119.74 111.68 3d49 s LYS 110 Ca -0.11 -0.43 -0.23 0.00 0.02 0.00 0.00 55.97 55.22 3d49 s LYS 110 Cb 0.16 0.08 -0.06 0.00 -0.52 0.00 0.00 37.83 37.49 3d49 s LYS 110 CO 0.80 -0.04 1.40 -1.25 -0.92 0.00 0.00 175.35 175.34 3d49 s PRO 111 N -1.04 3.39 0.10 -1.68 0.04 -1.26 -4.88 135.00 129.67 3d49 s PRO 111 Ca -0.11 2.33 -0.14 0.00 0.04 0.00 0.00 61.00 63.12 3d49 s PRO 111 Cb -0.07 -2.44 -0.06 0.00 0.04 0.00 0.00 34.50 31.96 3d49 s PRO 111 CO -0.01 -1.03 0.49 0.54 0.04 0.00 0.00 177.00 177.04 3d49 s VAL 112 N -1.25 4.93 0.06 -0.36 0.11 -0.50 -5.03 120.40 118.36 3d49 s VAL 112 Ca 0.67 0.78 -0.27 0.00 -2.93 0.00 0.00 61.98 60.23 3d49 s VAL 112 Cb -0.42 -3.73 -0.05 0.00 -1.53 0.00 0.00 36.38 30.65 3d49 s VAL 112 CO 0.52 0.34 0.84 0.00 -3.33 0.00 0.00 175.10 173.48 3d49 s ALA 113 N -1.35 3.31 0.57 1.54 0.00 -1.26 -4.82 121.76 119.75 3d49 s ALA 113 Ca 0.33 0.40 -0.15 0.00 0.00 0.00 0.00 51.96 52.54 3d49 s ALA 113 Cb -0.15 -3.11 -0.05 0.00 0.00 0.00 0.00 23.12 19.80 3d49 s ALA 113 CO 0.18 0.01 1.02 -0.06 0.00 0.00 0.00 175.76 176.92 3d49 s PHE 114 N 0.03 3.28 0.03 0.00 0.08 -1.26 -4.88 117.98 115.25 3d49 s PHE 114 Ca 0.42 1.46 -0.01 0.00 0.12 0.00 0.00 56.93 58.93 3d49 s PHE 114 Cb -0.21 -2.87 0.00 0.00 -0.57 0.00 0.00 43.02 39.37 3d49 s PHE 114 CO 0.26 -0.73 0.04 -1.13 -0.10 0.00 0.00 175.22 173.56 3d49 n SER 115 N -1.96 -0.12 0.28 1.36 3.41 -0.48 -4.95 113.62 111.16 3d49 n SER 115 Ca 0.07 -1.12 0.17 0.00 -0.26 0.00 0.00 58.87 57.73 3d49 n SER 115 Cb 0.54 0.22 0.93 0.00 -0.26 0.00 0.00 64.21 65.63 3d49 n SER 115 CO 0.00 0.00 0.00 0.44 -0.16 0.00 0.00 175.04 175.32 3d49 h ASP 116 N 0.13 0.00 -0.00 4.04 3.32 -1.99 -3.01 116.42 118.91 3d49 h ASP 116 Ca -0.02 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.03 3d49 h ASP 116 Cb 0.08 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.63 3d49 h ASP 116 CO 0.03 0.00 -0.33 -1.22 -1.72 0.00 0.00 179.24 176.00 3d49 n TYR 117 N -3.70 0.00 -3.80 4.55 4.01 -1.26 -4.74 117.16 112.22 3d49 n TYR 117 Ca -0.02 0.00 -0.29 0.00 -0.16 0.00 0.00 57.90 57.44 3d49 n TYR 117 Cb 0.17 0.00 -0.16 0.00 -0.31 0.00 0.00 39.34 39.04 3d49 n TYR 117 CO 0.00 0.00 0.00 0.42 -0.46 0.00 0.00 176.86 176.82 3d49 s ILE 118 N -1.62 0.87 -0.24 -0.72 1.01 -1.14 -4.04 121.20 115.32 3d49 s ILE 118 Ca 0.05 -0.82 -0.23 0.00 0.00 0.00 0.00 60.65 59.65 3d49 s ILE 118 Cb 0.07 -1.31 0.06 0.00 0.01 0.00 0.00 42.46 41.29 3d49 s ILE 118 CO 0.31 -0.20 0.66 -2.28 0.00 0.00 0.00 174.94 173.43 3d49 s HIS 119 N 1.70 -0.72 0.52 3.97 2.46 -0.38 -1.39 115.29 121.45 3d49 s HIS 119 Ca -0.02 1.74 -0.18 0.00 0.47 0.00 0.00 55.06 57.07 3d49 s HIS 119 Cb -0.18 0.25 -0.07 0.00 -0.13 0.00 0.00 32.58 32.45 3d49 s HIS 119 CO -0.08 -0.35 1.02 -1.25 -2.47 0.00 0.00 174.74 171.60 3d49 s PRO 120 N 0.30 3.72 0.42 2.88 0.04 -1.26 -2.46 135.00 138.63 3d49 s PRO 120 Ca -0.00 1.18 -0.04 0.00 0.04 0.00 0.00 61.00 62.17 3d49 s PRO 120 Cb -0.04 -2.09 -0.04 0.00 0.04 0.00 0.00 34.50 32.36 3d49 s PRO 120 CO 0.01 -0.48 0.69 0.54 0.04 0.00 0.00 177.00 177.81 3d49 s VAL 121 N -2.33 4.96 0.30 -0.36 0.11 -0.66 -4.90 120.40 117.52 3d49 s VAL 121 Ca 0.63 0.04 -0.11 0.00 -2.93 0.00 0.00 61.98 59.61 3d49 s VAL 121 Cb -0.14 -3.84 -0.07 0.00 -1.53 0.00 0.00 36.38 30.80 3d49 s VAL 121 CO 0.28 -0.68 0.65 0.00 -3.33 0.00 0.00 175.10 172.02 3d49 s LEU 123 N -3.17 4.28 0.44 0.00 1.43 -1.26 -0.44 118.68 119.96 3d49 s LEU 123 Ca 0.50 0.34 -0.24 0.00 -1.03 0.00 0.00 54.13 53.70 3d49 s LEU 123 Cb -0.11 -2.39 -0.08 0.00 0.03 0.00 0.00 46.19 43.64 3d49 s LEU 123 CO 0.23 0.31 1.18 -2.16 0.23 0.00 0.00 176.35 176.14 3d49 s PRO 124 N -1.63 3.86 0.57 1.29 0.04 -1.26 -4.93 135.00 132.94 3d49 s PRO 124 Ca 0.23 1.84 -0.06 0.00 0.04 0.00 0.00 61.00 63.05 3d49 s PRO 124 Cb -0.12 -2.53 -0.01 0.00 0.04 0.00 0.00 34.50 31.88 3d49 s PRO 124 CO 0.14 -0.49 0.89 0.16 0.04 0.00 0.00 177.00 177.74 3d49 s ASP 125 N -1.21 5.83 0.31 6.66 1.47 -1.26 -4.83 116.67 123.64 3d49 s ASP 125 Ca 0.61 0.86 0.04 0.00 1.18 0.00 0.00 52.55 55.25 3d49 s ASP 125 Cb -0.30 -1.94 0.67 0.00 -0.34 0.00 0.00 42.92 41.00 3d49 s ASP 125 CO 0.38 -0.93 1.84 -0.09 0.68 0.00 0.00 175.17 177.05 3d49 h ARG 126 N -0.10 0.84 -0.14 2.11 2.43 -1.97 -2.81 114.38 114.74 3d49 h ARG 126 Ca -0.46 -0.05 -0.18 0.00 -0.81 0.00 0.00 59.98 58.48 3d49 h ARG 126 Cb 1.24 -0.19 0.01 0.00 -0.42 0.00 0.00 29.97 30.60 3d49 h ARG 126 CO 0.61 0.56 -0.63 0.93 -1.51 0.00 0.00 179.97 179.93 3d49 h GLU 127 N 0.87 0.67 -1.61 0.20 3.07 -2.04 -0.40 114.58 115.35 3d49 h GLU 127 Ca 0.49 -0.53 0.00 0.00 -0.50 0.00 0.00 59.36 58.81 3d49 h GLU 127 Cb 0.61 0.11 0.00 0.00 -0.84 0.00 0.00 28.75 28.63 3d49 h GLU 127 CO -0.26 1.15 0.00 2.41 -1.40 0.00 0.00 179.01 180.92 3d49 n THR 128 N -4.09 0.10 0.00 1.13 -1.04 -1.06 -1.59 114.28 107.73 3d49 n THR 128 Ca -0.08 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 61.93 3d49 n THR 128 Cb 0.67 -0.48 0.00 0.00 -1.82 0.00 0.00 70.33 68.70 3d49 n THR 128 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 3d49 n ALA 129 N 0.86 0.00 0.04 2.41 0.00 -0.16 -0.67 120.51 122.99 3d49 n ALA 129 Ca 0.00 0.00 -0.16 0.00 0.00 0.00 0.00 53.44 53.28 3d49 n ALA 129 Cb 0.05 0.00 -0.06 0.00 0.00 0.00 0.00 19.45 19.44 3d49 n ALA 129 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.50 178.16 3d49 h SER 129 N 0.00 0.75 0.40 0.00 4.64 -1.55 -3.37 113.55 114.43 3d49 h SER 129 Ca 0.00 -0.56 -0.12 0.00 -0.47 0.00 0.00 61.79 60.64 3d49 h SER 129 Cb 0.00 -0.23 -0.02 0.00 -0.31 0.00 0.00 62.40 61.84 3d49 h SER 129 CO 0.00 1.36 -1.70 0.18 -0.87 0.00 0.00 176.83 175.79 3d49 n LEU 129 N -3.84 0.43 -4.20 5.97 4.77 0.15 -4.62 117.00 115.66 3d49 n LEU 129 Ca -0.08 0.18 -0.43 0.00 -0.03 0.00 0.00 56.01 55.65 3d49 n LEU 129 Cb 0.82 0.10 0.00 0.00 -2.33 0.00 0.00 43.42 42.01 3d49 n LEU 129 CO 0.53 0.10 1.74 0.18 -1.33 0.00 0.00 177.39 178.61 3d49 n LEU 130 N -2.62 5.84 -4.11 2.23 4.77 -1.26 -4.83 117.00 117.02 3d49 n LEU 130 Ca -0.10 -4.46 -0.21 0.00 -0.03 0.00 0.00 56.01 51.20 3d49 n LEU 130 Cb 0.76 -1.58 -0.15 0.00 -2.33 0.00 0.00 43.42 40.12 3d49 n LEU 130 CO 0.43 0.95 -0.47 -1.10 -1.33 0.00 0.00 177.39 175.87 3d49 s GLN 131 N 1.45 1.06 0.19 3.23 -0.21 -1.26 -4.97 119.66 119.15 3d49 s GLN 131 Ca 0.43 -0.55 -0.32 0.00 0.02 0.00 0.00 55.36 54.94 3d49 s GLN 131 Cb 0.04 -1.03 -0.15 0.00 1.00 0.00 0.00 33.01 32.86 3d49 s GLN 131 CO 0.00 0.28 1.27 0.00 -2.12 0.00 0.00 175.29 174.73 3d49 n ALA 132 N 2.55 -0.02 0.00 6.09 0.00 -1.26 -1.43 120.51 126.44 3d49 n ALA 132 Ca -0.15 0.45 0.00 0.00 0.00 0.00 0.00 53.44 53.74 3d49 n ALA 132 Cb 0.55 -2.13 0.00 0.00 0.00 0.00 0.00 19.45 17.87 3d49 n ALA 132 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3d49 n GLY 133 N 2.14 3.08 3.75 0.00 0.00 -0.11 -4.95 105.19 109.10 3d49 n GLY 133 Ca 0.14 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.75 3d49 n GLY 133 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 3d49 s TYR 134 N -2.06 3.37 -0.01 1.61 1.51 -0.51 -4.61 117.35 116.65 3d49 s TYR 134 Ca 0.00 1.46 -0.07 0.00 -1.01 0.00 0.00 57.07 57.45 3d49 s TYR 134 Cb 0.00 -3.47 -0.05 0.00 -0.11 0.00 0.00 41.96 38.34 3d49 s TYR 134 CO 0.00 -1.27 0.26 0.15 -1.11 0.00 0.00 175.55 173.59 3d49 s LYS 135 N -0.80 3.59 0.40 -0.62 1.02 -1.26 -0.77 119.74 121.30 3d49 s LYS 135 Ca 0.51 -0.05 0.00 0.00 0.02 0.00 0.00 55.97 56.45 3d49 s LYS 135 Cb -0.34 -3.10 0.00 0.00 -0.52 0.00 0.00 37.83 33.87 3d49 s LYS 135 CO 0.41 0.67 0.00 0.41 -0.92 0.00 0.00 175.35 175.92 3d49 n GLY 136 N 1.26 3.69 3.02 -3.33 0.00 -0.45 -4.84 105.19 104.54 3d49 n GLY 136 Ca -0.12 -2.34 -0.23 0.00 0.00 0.00 0.00 46.02 43.33 3d49 n GLY 136 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 3d49 s ARG 137 N -3.45 1.41 -0.01 1.61 3.52 0.72 -0.45 118.95 122.29 3d49 s ARG 137 Ca 0.00 -0.38 0.06 0.00 -0.13 0.00 0.00 55.73 55.29 3d49 s ARG 137 Cb -0.00 -1.22 -0.03 0.00 -1.56 0.00 0.00 34.95 32.14 3d49 s ARG 137 CO 0.00 0.07 -0.20 0.08 -0.81 0.00 0.00 175.30 174.44 3d49 s VAL 138 N 0.47 2.58 0.04 7.11 1.01 -0.00 -0.57 120.40 131.04 3d49 s VAL 138 Ca -0.10 -1.00 0.03 0.00 0.00 0.00 0.00 61.98 60.91 3d49 s VAL 138 Cb -0.13 -1.99 -0.02 0.00 0.00 0.00 0.00 36.38 34.24 3d49 s VAL 138 CO 0.02 0.52 -0.08 0.42 0.00 0.00 0.00 175.10 175.98 3d49 s THR 139 N -0.73 0.60 0.00 3.92 -4.23 -1.24 -1.26 115.64 112.70 3d49 s THR 139 Ca 0.12 -1.03 0.00 0.00 -1.18 0.00 0.00 61.69 59.59 3d49 s THR 139 Cb -0.10 -0.64 0.00 0.00 1.34 0.00 0.00 72.50 73.09 3d49 s THR 139 CO 0.01 -0.32 0.00 0.61 -0.54 0.00 0.00 174.62 174.38 3d49 n GLY 140 N 1.57 0.66 1.61 3.99 0.00 -0.69 -4.56 105.19 107.77 3d49 n GLY 140 Ca -0.22 -0.86 -0.02 0.00 0.00 0.00 0.00 46.02 44.93 3d49 n GLY 140 CO 0.00 0.00 0.00 0.79 0.00 0.00 0.00 173.32 174.11 3d49 n TRP 141 N -0.18 1.88 -1.88 1.61 8.01 -1.26 -1.97 117.44 123.65 3d49 n TRP 141 Ca 0.00 -1.17 -0.27 0.00 -1.31 0.00 0.00 57.50 54.75 3d49 n TRP 141 Cb 0.00 -0.57 0.19 0.00 -2.01 0.00 0.00 31.31 28.92 3d49 n TRP 141 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.69 177.09 3d49 n GLY 142 N -0.36 -1.38 3.52 6.99 0.00 -1.26 -4.58 105.19 108.12 3d49 n GLY 142 Ca 0.35 -1.72 -0.46 0.00 0.00 0.00 0.00 46.02 44.19 3d49 n GLY 142 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 3d49 n ASN 143 N -3.75 0.43 0.02 1.61 3.02 0.01 -2.85 115.26 113.75 3d49 n ASN 143 Ca 0.15 1.16 0.13 0.00 -0.03 0.00 0.00 54.58 56.00 3d49 n ASN 143 Cb 0.53 -1.17 0.55 0.00 -0.61 0.00 0.00 39.78 39.08 3d49 n ASN 143 CO 0.00 0.00 0.00 0.18 -2.62 0.00 0.00 177.26 174.82 3d49 n LEU 144 N 1.51 0.15 -3.46 3.41 4.77 -0.58 -1.25 117.00 121.54 3d49 n LEU 144 Ca 0.13 0.52 -0.10 0.00 -0.03 0.00 0.00 56.01 56.52 3d49 n LEU 144 Cb 0.29 -0.47 -0.02 0.00 -2.33 0.00 0.00 43.42 40.89 3d49 n LEU 144 CO 0.59 -0.07 0.51 -0.54 -1.33 0.00 0.00 177.39 176.55 3d49 s LYS 145 N -3.02 1.13 0.00 3.23 1.02 -1.26 -4.40 119.74 116.43 3d49 s LYS 145 Ca 0.12 -0.42 0.00 0.00 0.02 0.00 0.00 55.97 55.69 3d49 s LYS 145 Cb 0.17 0.51 0.00 0.00 -0.52 0.00 0.00 37.83 37.99 3d49 s LYS 145 CO 0.51 -0.49 0.09 -1.91 -0.92 0.00 0.00 175.35 172.62 3d49 n GLU 146 N -0.33 0.12 0.00 1.68 2.13 -1.26 -4.93 120.64 118.04 3d49 n GLU 146 Ca -0.14 0.00 0.00 0.00 0.66 0.00 0.00 57.16 57.68 3d49 n GLU 146 Cb 0.64 -1.24 0.00 0.00 0.27 0.00 0.00 31.44 31.10 3d49 n GLU 146 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 3d49 n GLY 150 N 0.68 0.72 3.59 8.31 0.00 -1.26 -5.02 105.19 112.20 3d49 n GLY 150 Ca 0.00 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.69 3d49 n GLY 150 CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 3d49 s GLN 151 N 1.73 2.66 0.58 1.61 -2.07 -1.26 -1.53 119.66 121.38 3d49 s GLN 151 Ca 0.00 -0.63 -0.16 0.00 -1.82 0.00 0.00 55.36 52.76 3d49 s GLN 151 Cb 0.00 -2.55 -0.05 0.00 -1.09 0.00 0.00 33.01 29.33 3d49 s GLN 151 CO 0.00 0.64 1.04 -1.25 -1.32 0.00 0.00 175.29 174.40 3d49 s PRO 152 N -1.08 3.47 0.20 9.60 0.04 -1.26 -4.97 135.00 141.00 3d49 s PRO 152 Ca 0.14 1.14 0.05 0.00 0.04 0.00 0.00 61.00 62.37 3d49 s PRO 152 Cb -0.11 -2.06 0.10 0.00 0.04 0.00 0.00 34.50 32.47 3d49 s PRO 152 CO 0.04 -0.68 1.45 0.77 0.04 0.00 0.00 177.00 178.62 3d49 h SER 153 N 0.53 0.18 -5.13 6.66 0.02 -1.98 -3.41 113.55 110.42 3d49 h SER 153 Ca -0.47 -0.13 -0.22 0.00 -0.84 0.00 0.00 61.79 60.14 3d49 h SER 153 Cb 1.21 -0.05 -0.15 0.00 0.14 0.00 0.00 62.40 63.55 3d49 h SER 153 CO 0.58 0.89 -0.65 0.68 -1.14 0.00 0.00 176.83 177.19 3d49 s VAL 154 N -3.35 0.28 0.23 2.27 -7.23 -1.26 -0.79 120.40 110.55 3d49 s VAL 154 Ca -0.02 -1.93 -0.31 0.00 -1.81 0.00 0.00 61.98 57.91 3d49 s VAL 154 Cb 0.11 -2.06 -0.14 0.00 0.56 0.00 0.00 36.38 34.85 3d49 s VAL 154 CO 0.81 -0.48 1.18 -0.11 -0.31 0.00 0.00 175.10 176.19 3d49 n LEU 155 N -0.14 2.06 -4.71 1.32 7.94 0.25 -4.81 117.00 118.92 3d49 n LEU 155 Ca -0.06 1.16 -0.30 0.00 -1.11 0.00 0.00 56.01 55.70 3d49 n LEU 155 Cb 0.63 -1.30 -0.08 0.00 0.53 0.00 0.00 43.42 43.21 3d49 n LEU 155 CO 0.32 -1.10 -0.31 -1.10 -1.11 0.00 0.00 177.39 174.08 3d49 s GLN 156 N -0.80 2.63 0.02 1.96 -1.52 -0.83 -0.31 119.66 120.81 3d49 s GLN 156 Ca 0.67 -0.81 0.03 0.00 -1.95 0.00 0.00 55.36 53.30 3d49 s GLN 156 Cb -0.75 -2.58 -0.02 0.00 -0.22 0.00 0.00 33.01 29.45 3d49 s GLN 156 CO 0.54 0.54 -0.10 0.54 -0.25 0.00 0.00 175.29 176.57 3d49 s VAL 157 N -1.35 0.77 -0.08 1.09 0.11 0.27 -1.70 120.40 119.50 3d49 s VAL 157 Ca 0.27 -0.74 -0.10 0.00 -2.93 0.00 0.00 61.98 58.48 3d49 s VAL 157 Cb -0.12 -0.71 0.02 0.00 -1.53 0.00 0.00 36.38 34.05 3d49 s VAL 157 CO 0.19 -0.02 0.27 0.54 -3.33 0.00 0.00 175.10 172.76 3d49 s VAL 158 N -0.69 0.02 -0.16 2.04 0.11 -0.39 -0.99 120.40 120.34 3d49 s VAL 158 Ca -0.01 -0.15 -0.06 0.00 -2.93 0.00 0.00 61.98 58.84 3d49 s VAL 158 Cb -0.06 -0.44 -0.04 0.00 -1.53 0.00 0.00 36.38 34.31 3d49 s VAL 158 CO 0.00 -0.08 0.04 0.20 -3.33 0.00 0.00 175.10 171.93 3d49 s ASN 159 N -0.27 5.43 -0.01 3.54 0.01 -1.26 -0.82 114.94 121.57 3d49 s ASN 159 Ca -0.04 0.07 0.00 0.00 -0.71 0.00 0.00 52.86 52.18 3d49 s ASN 159 Cb -0.03 -1.85 0.01 0.00 0.41 0.00 0.00 41.25 39.79 3d49 s ASN 159 CO 0.01 0.22 0.00 -0.76 -1.51 0.00 0.00 177.10 175.07 3d49 s LEU 160 N 0.07 1.75 0.22 0.60 1.43 0.40 -4.97 118.68 118.18 3d49 s LEU 160 Ca 0.04 -0.00 -0.29 0.00 -1.03 0.00 0.00 54.13 52.84 3d49 s LEU 160 Cb -0.13 -0.06 -0.09 0.00 0.03 0.00 0.00 46.19 45.95 3d49 s LEU 160 CO 0.01 -0.03 0.92 -2.16 0.23 0.00 0.00 176.35 175.32 3d49 s PRO 161 N 0.29 4.81 0.42 1.29 0.04 -1.26 -1.34 135.00 139.25 3d49 s PRO 161 Ca -0.02 1.44 -0.26 0.00 0.04 0.00 0.00 61.00 62.20 3d49 s PRO 161 Cb -0.04 -3.29 -0.09 0.00 0.04 0.00 0.00 34.50 31.13 3d49 s PRO 161 CO -0.01 0.50 1.40 0.42 0.04 0.00 0.00 177.00 179.35 3d49 s ILE 162 N -1.07 2.24 0.06 0.56 1.01 0.05 -0.93 121.20 123.11 3d49 s ILE 162 Ca 0.41 0.22 0.03 0.00 0.00 0.00 0.00 60.65 61.31 3d49 s ILE 162 Cb -0.25 -3.13 -0.04 0.00 0.01 0.00 0.00 42.46 39.05 3d49 s ILE 162 CO 0.31 0.03 0.02 -0.69 0.00 0.00 0.00 174.94 174.62 3d49 s VAL 163 N -1.21 4.20 0.32 2.92 1.01 -0.08 -0.93 120.40 126.64 3d49 s VAL 163 Ca 0.58 -0.81 -0.29 0.00 0.00 0.00 0.00 61.98 61.46 3d49 s VAL 163 Cb -0.42 -2.97 -0.12 0.00 0.00 0.00 0.00 36.38 32.87 3d49 s VAL 163 CO 0.55 0.20 1.54 -0.62 0.00 0.00 0.00 175.10 176.76 3d49 n GLU 164 N 0.78 2.63 -0.35 2.72 4.71 -1.26 -4.62 120.64 125.25 3d49 n GLU 164 Ca -0.11 0.93 0.11 0.00 -0.01 0.00 0.00 57.16 58.08 3d49 n GLU 164 Cb 0.52 -2.68 0.30 0.00 -1.01 0.00 0.00 31.44 28.57 3d49 n GLU 164 CO 0.00 0.00 0.00 -0.09 0.09 0.00 0.00 177.13 177.13 3d49 h ARG 165 N 4.06 0.80 -0.06 3.49 2.43 -1.98 -1.26 114.38 121.86 3d49 h ARG 165 Ca -0.48 -0.05 -0.11 0.00 -0.81 0.00 0.00 59.98 58.53 3d49 h ARG 165 Cb 1.24 -0.18 -0.01 0.00 -0.42 0.00 0.00 29.97 30.59 3d49 h ARG 165 CO 0.73 0.53 -0.47 -1.35 -1.51 0.00 0.00 179.97 177.90 3d49 h PRO 166 N 0.82 0.15 -0.28 0.20 0.11 -1.99 -0.92 132.00 130.10 3d49 h PRO 166 Ca 0.55 -0.08 -0.08 0.00 0.11 0.00 0.00 66.00 66.51 3d49 h PRO 166 Cb 0.79 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 31.89 3d49 h PRO 166 CO -0.34 0.59 -0.13 0.28 -0.21 0.00 0.00 178.00 178.20 3d49 h VAL 167 N 0.13 1.29 0.03 3.15 2.07 -1.66 0.28 116.25 121.54 3d49 h VAL 167 Ca 0.01 -1.21 0.02 0.00 0.82 0.00 0.00 66.70 66.34 3d49 h VAL 167 Cb 0.88 1.49 -0.03 0.00 -1.52 0.00 0.00 31.29 32.11 3d49 h VAL 167 CO 0.07 0.38 -0.19 0.00 0.02 0.00 0.00 177.57 177.85 3d49 h LYS 169 N -0.32 1.00 0.00 0.00 1.57 -1.07 -2.79 116.57 114.96 3d49 h LYS 169 Ca 0.05 -0.10 0.00 0.00 -1.87 0.00 0.00 60.65 58.72 3d49 h LYS 169 Cb 0.37 -0.20 0.00 0.00 0.08 0.00 0.00 32.23 32.48 3d49 h LYS 169 CO -0.15 0.72 0.00 -0.25 -0.57 0.00 0.00 179.45 179.20 3d49 n ASP 170 N -4.50 0.00 -0.21 0.86 8.00 0.08 -2.69 116.55 118.09 3d49 n ASP 170 Ca 0.06 -0.15 0.13 0.00 0.71 0.00 0.00 54.79 55.54 3d49 n ASP 170 Cb 0.07 -0.23 0.36 0.00 -0.02 0.00 0.00 41.12 41.30 3d49 n ASP 170 CO 0.00 0.00 0.00 -1.54 -0.39 0.00 0.00 177.20 175.27 3d49 n SER 171 N -1.23 0.94 -3.81 -2.24 3.41 -0.99 -4.96 113.62 104.75 3d49 n SER 171 Ca 0.12 -0.79 -0.10 0.00 -0.26 0.00 0.00 58.87 57.84 3d49 n SER 171 Cb 0.15 0.16 -0.07 0.00 -0.26 0.00 0.00 64.21 64.19 3d49 n SER 171 CO 0.00 0.00 0.00 0.28 -0.16 0.00 0.00 175.04 175.16 3d49 s THR 172 N -2.58 0.12 -0.91 6.66 -1.32 -1.10 -4.81 115.64 111.70 3d49 s THR 172 Ca 0.22 -0.96 0.25 0.00 -1.21 0.00 0.00 61.69 59.99 3d49 s THR 172 Cb 0.19 -1.15 0.05 0.00 -1.51 0.00 0.00 72.50 70.08 3d49 s THR 172 CO 0.55 -0.53 1.47 0.54 -2.21 0.00 0.00 174.62 174.44 3d49 n ARG 173 N 0.21 0.07 -2.34 7.08 1.74 -1.26 -4.93 116.66 117.23 3d49 n ARG 173 Ca -0.17 0.02 -0.39 0.00 -0.77 0.00 0.00 57.85 56.55 3d49 n ARG 173 Cb 0.61 -1.55 -0.03 0.00 -1.02 0.00 0.00 32.46 30.48 3d49 n ARG 173 CO 0.00 0.00 0.00 0.42 -1.52 0.00 0.00 177.63 176.53 3d49 s ILE 174 N -3.04 3.23 -0.12 0.55 -1.09 -1.26 -4.98 121.20 114.48 3d49 s ILE 174 Ca 0.10 1.11 -0.29 0.00 -2.23 0.00 0.00 60.65 59.34 3d49 s ILE 174 Cb 0.17 -3.66 -0.03 0.00 -1.58 0.00 0.00 42.46 37.35 3d49 s ILE 174 CO 0.68 0.17 1.48 -0.60 -1.23 0.00 0.00 174.94 175.44 3d49 s ARG 175 N -1.98 4.16 0.09 2.79 3.52 -1.26 -5.00 118.95 121.26 3d49 s ARG 175 Ca 0.52 1.89 -0.13 0.00 -0.13 0.00 0.00 55.73 57.88 3d49 s ARG 175 Cb -0.32 -3.90 -0.06 0.00 -1.56 0.00 0.00 34.95 29.11 3d49 s ARG 175 CO 0.41 -0.84 0.47 0.42 -0.81 0.00 0.00 175.30 174.95 3d49 s ILE 176 N 3.94 4.97 0.47 4.11 -1.09 -1.26 -4.89 121.20 127.45 3d49 s ILE 176 Ca 0.65 0.72 0.04 0.00 -2.23 0.00 0.00 60.65 59.83 3d49 s ILE 176 Cb -0.27 -3.71 -0.03 0.00 -1.58 0.00 0.00 42.46 36.87 3d49 s ILE 176 CO 0.23 0.34 0.10 0.42 -1.23 0.00 0.00 174.94 174.80 3d49 s THR 177 N -1.35 1.67 -0.28 2.92 -4.23 -1.26 -5.00 115.64 108.11 3d49 s THR 177 Ca 0.33 -1.86 0.26 0.00 -1.18 0.00 0.00 61.69 59.25 3d49 s THR 177 Cb -0.15 -2.53 0.28 0.00 1.34 0.00 0.00 72.50 71.45 3d49 s THR 177 CO 0.18 0.00 1.79 0.44 -0.54 0.00 0.00 174.62 176.49 3d49 h ASP 178 N 1.37 0.00 -0.36 3.99 3.32 -2.03 -2.64 116.42 120.07 3d49 h ASP 178 Ca -0.43 0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.62 3d49 h ASP 178 Cb 1.28 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.83 3d49 h ASP 178 CO 0.72 0.00 0.00 0.59 -1.72 0.00 0.00 179.24 178.83 3d49 n ASN 179 N -2.46 2.18 -4.21 6.45 3.02 -1.26 -4.85 115.26 114.12 3d49 n ASN 179 Ca 0.01 -2.06 -0.17 0.00 -0.03 0.00 0.00 54.58 52.33 3d49 n ASN 179 Cb 0.22 -0.29 -0.11 0.00 -0.61 0.00 0.00 39.78 38.98 3d49 n ASN 179 CO 0.00 0.00 0.00 -0.04 -2.62 0.00 0.00 177.26 174.60 3d49 s MET 180 N -1.55 0.95 0.11 3.52 -1.94 -1.00 -0.48 119.30 118.91 3d49 s MET 180 Ca 0.25 -1.20 -0.01 0.00 -1.71 0.00 0.00 55.69 53.03 3d49 s MET 180 Cb 0.14 -0.76 -0.04 0.00 2.01 0.00 0.00 34.83 36.18 3d49 s MET 180 CO 0.16 0.14 0.03 -0.59 -0.01 0.00 0.00 175.02 174.75 3d49 s PHE 181 N -2.22 0.78 0.20 -0.03 -0.12 -0.38 -4.82 117.98 111.40 3d49 s PHE 181 Ca 0.07 -1.19 0.08 0.00 -0.05 0.00 0.00 56.93 55.84 3d49 s PHE 181 Cb -0.04 -0.46 -0.05 0.00 -0.63 0.00 0.00 43.02 41.84 3d49 s PHE 181 CO 0.02 -0.48 -0.16 0.00 -0.05 0.00 0.00 175.22 174.54 3d49 s ALA 183 N -2.62 -0.52 0.00 0.00 0.00 -0.59 -0.90 121.76 117.13 3d49 s ALA 183 Ca 0.21 -0.06 0.00 0.00 0.00 0.00 0.00 51.96 52.11 3d49 s ALA 183 Cb -0.03 0.22 0.00 0.00 0.00 0.00 0.00 23.12 23.31 3d49 s ALA 183 CO 0.08 -0.33 0.00 0.41 0.00 0.00 0.00 175.76 175.92 3d49 n GLY 184 N 0.90 3.37 3.84 0.00 0.00 -0.11 -1.70 105.19 111.49 3d49 n GLY 184 Ca -0.20 -1.72 -0.33 0.00 0.00 0.00 0.00 46.02 43.77 3d49 n GLY 184 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 3d49 s TYR 184 N -2.01 3.43 0.48 1.61 2.02 -1.26 -4.53 117.35 117.09 3d49 s TYR 184 Ca 0.00 1.26 -0.11 0.00 -0.37 0.00 0.00 57.07 57.84 3d49 s TYR 184 Cb 0.00 -2.56 -0.06 0.00 -0.40 0.00 0.00 41.96 38.94 3d49 s TYR 184 CO 0.00 0.14 0.87 0.15 -1.57 0.00 0.00 175.55 175.14 3d49 s LYS 185 N -2.78 3.76 0.34 -0.62 1.02 -1.26 -4.78 119.74 115.42 3d49 s LYS 185 Ca 0.52 0.60 0.15 0.00 0.02 0.00 0.00 55.97 57.26 3d49 s LYS 185 Cb -0.11 -2.27 1.09 0.00 -0.52 0.00 0.00 37.83 36.02 3d49 s LYS 185 CO 0.18 -0.21 1.67 -1.35 -0.92 0.00 0.00 175.35 174.71 3d49 h PRO 186 N 0.74 0.32 -0.65 -1.68 0.11 -1.95 -0.25 132.00 128.65 3d49 h PRO 186 Ca -0.46 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.63 3d49 h PRO 186 Cb 1.19 -0.07 0.00 0.00 0.11 0.00 0.00 31.00 32.23 3d49 h PRO 186 CO 0.63 0.21 0.00 -0.25 -0.21 0.00 0.00 178.00 178.38 3d49 n ASP 186 N -5.02 4.62 -0.03 -2.05 9.92 -1.26 -3.95 116.55 118.78 3d49 n ASP 186 Ca 0.32 -2.49 0.14 0.00 -0.53 0.00 0.00 54.79 52.22 3d49 n ASP 186 Cb 0.98 -0.58 0.53 0.00 -0.64 0.00 0.00 41.12 41.42 3d49 n ASP 186 CO 0.00 0.00 0.00 -0.62 0.13 0.00 0.00 177.20 176.71 3d49 n GLU 186 N 0.96 0.18 0.00 -1.24 1.02 -0.10 -4.96 120.64 116.50 3d49 n GLU 186 Ca 0.24 -0.05 0.00 0.00 -0.02 0.00 0.00 57.16 57.33 3d49 n GLU 186 Cb 0.89 -1.50 0.00 0.00 -0.02 0.00 0.00 31.44 30.81 3d49 n GLU 186 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 3d49 n GLY 186 N 1.44 2.00 3.67 0.62 0.00 -1.25 -4.98 105.19 106.67 3d49 n GLY 186 Ca 0.09 -0.54 -0.32 0.00 0.00 0.00 0.00 46.02 45.25 3d49 n GLY 186 CO 0.00 0.00 0.00 0.58 0.00 0.00 0.00 173.32 173.90 3d49 n LYS 186 N 0.00 -0.17 -4.62 1.61 2.85 -1.26 -5.07 118.16 111.49 3d49 n LYS 186 Ca 0.00 0.02 -0.29 0.00 -1.05 0.00 0.00 58.31 56.99 3d49 n LYS 186 Cb 0.00 -2.37 -0.08 0.00 -0.65 0.00 0.00 35.03 31.93 3d49 n LYS 186 CO 0.00 0.00 0.00 1.03 -0.05 0.00 0.00 177.40 178.38 3d49 s ARG 187 N -4.35 2.07 0.00 -1.58 0.52 -1.26 -4.70 118.95 109.65 3d49 s ARG 187 Ca 0.69 -2.30 0.00 0.00 -0.52 0.00 0.00 55.73 53.60 3d49 s ARG 187 Cb -0.26 -0.95 0.00 0.00 0.52 0.00 0.00 34.95 34.26 3d49 s ARG 187 CO 0.55 -0.47 0.00 0.41 0.02 0.00 0.00 175.30 175.82 3d49 n GLY 188 N -1.08 4.63 3.56 -3.53 0.00 -1.26 -4.91 105.19 102.60 3d49 n GLY 188 Ca -0.12 -1.19 -0.06 0.00 0.00 0.00 0.00 46.02 44.64 3d49 n GLY 188 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 3d49 s ASP 189 N 0.00 -0.28 0.68 1.61 2.15 -0.90 -4.69 116.67 115.24 3d49 s ASP 189 Ca 0.00 -0.06 -0.12 0.00 0.43 0.00 0.00 52.55 52.80 3d49 s ASP 189 Cb 0.00 0.34 0.01 0.00 -0.30 0.00 0.00 42.92 42.97 3d49 s ASP 189 CO 0.00 -0.57 1.07 0.00 -0.17 0.00 0.00 175.17 175.50 3d49 s ALA 190 N -2.98 2.60 0.07 3.66 0.00 -1.26 -0.62 121.76 123.23 3d49 s ALA 190 Ca 0.07 0.23 0.00 0.00 0.00 0.00 0.00 51.96 52.27 3d49 s ALA 190 Cb -0.01 -3.22 -0.00 0.00 0.00 0.00 0.00 23.12 19.89 3d49 s ALA 190 CO -0.06 -1.24 0.08 0.00 0.00 0.00 0.00 175.76 174.54 3d49 s GLU 192 N -2.21 4.12 0.00 0.00 -6.30 -1.26 -1.22 118.70 111.83 3d49 s GLU 192 Ca 0.07 2.60 0.00 0.00 -2.50 0.00 0.00 54.97 55.14 3d49 s GLU 192 Cb 0.00 -3.03 0.00 0.00 0.00 0.00 0.00 34.13 31.10 3d49 s GLU 192 CO 0.05 -0.67 0.00 0.41 0.02 0.00 0.00 175.26 175.07 3d49 n GLY 193 N 2.63 2.55 0.15 -1.50 0.00 -1.26 -0.81 105.19 106.94 3d49 n GLY 193 Ca 0.10 0.00 0.10 0.00 0.00 0.00 0.00 46.02 46.22 3d49 n GLY 193 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 3d49 h ASP 194 N 0.38 0.00 -0.68 1.61 3.32 -1.50 -3.23 116.42 116.32 3d49 h ASP 194 Ca 0.00 0.00 -0.52 0.00 0.02 0.00 0.00 57.03 56.53 3d49 h ASP 194 Cb 0.00 0.00 0.04 0.00 0.22 0.00 0.00 39.33 39.59 3d49 h ASP 194 CO 0.00 0.11 -0.05 -1.20 -1.72 0.00 0.00 179.24 176.38 3d49 n SER 195 N -2.88 -0.20 0.00 6.45 7.64 -1.26 -1.84 113.62 121.53 3d49 n SER 195 Ca 0.00 0.79 0.00 0.00 1.01 0.00 0.00 58.87 60.67 3d49 n SER 195 Cb 0.59 -0.63 0.00 0.00 -1.01 0.00 0.00 64.21 63.16 3d49 n SER 195 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 3d49 n GLY 196 N 1.10 1.65 3.91 0.23 0.00 -0.13 -0.64 105.19 111.31 3d49 n GLY 196 Ca 0.13 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.86 3d49 n GLY 196 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 3d49 s GLY 197 N -2.00 1.64 0.18 -0.02 0.00 -0.77 -3.00 107.32 103.36 3d49 s GLY 197 Ca 0.00 -0.79 -0.15 0.00 0.00 0.00 0.00 44.72 43.78 3d49 s GLY 197 CO 0.00 -0.24 0.61 2.56 0.00 0.00 0.00 173.10 176.03 3d49 s PRO 198 N -5.63 4.04 -0.31 2.90 0.04 -1.26 -0.44 135.00 134.34 3d49 s PRO 198 Ca 0.65 0.59 -0.09 0.00 0.04 0.00 0.00 61.00 62.19 3d49 s PRO 198 Cb -0.09 -2.87 -0.00 0.00 0.04 0.00 0.00 34.50 31.57 3d49 s PRO 198 CO 0.50 0.43 0.13 0.12 0.04 0.00 0.00 177.00 178.22 3d49 s PHE 199 N -1.53 3.17 0.22 0.56 2.19 -0.19 -3.64 117.98 118.76 3d49 s PHE 199 Ca 0.41 -0.65 0.12 0.00 0.33 0.00 0.00 56.93 57.13 3d49 s PHE 199 Cb -0.15 -2.33 -0.05 0.00 -1.31 0.00 0.00 43.02 39.18 3d49 s PHE 199 CO 0.20 -0.48 -0.22 0.14 1.83 0.00 0.00 175.22 176.68 3d49 s VAL 200 N 1.59 2.41 0.02 3.12 -7.23 0.27 -1.03 120.40 119.55 3d49 s VAL 200 Ca 0.04 -2.16 0.02 0.00 -1.81 0.00 0.00 61.98 58.07 3d49 s VAL 200 Cb -0.17 -2.19 -0.02 0.00 0.56 0.00 0.00 36.38 34.56 3d49 s VAL 200 CO 0.05 -0.22 -0.07 -0.04 -0.31 0.00 0.00 175.10 174.52 3d49 s MET 201 N -2.97 0.48 -0.37 4.82 -1.94 -0.17 -0.20 119.30 118.95 3d49 s MET 201 Ca 0.24 -0.54 -0.14 0.00 -1.71 0.00 0.00 55.69 53.54 3d49 s MET 201 Cb -0.07 -0.32 0.00 0.00 2.01 0.00 0.00 34.83 36.45 3d49 s MET 201 CO 0.12 0.07 0.30 0.21 -0.01 0.00 0.00 175.02 175.70 3d49 s LYS 202 N -1.04 3.27 0.15 2.03 2.20 -1.26 -1.01 119.74 124.08 3d49 s LYS 202 Ca -0.06 -0.77 -0.31 0.00 -0.36 0.00 0.00 55.97 54.47 3d49 s LYS 202 Cb -0.07 -3.89 -0.10 0.00 -1.51 0.00 0.00 37.83 32.27 3d49 s LYS 202 CO 0.00 -0.60 1.55 0.45 -0.36 0.00 0.00 175.35 176.38 3d49 s SER 203 N 1.72 6.62 0.00 1.43 0.15 -0.02 -4.86 113.70 118.73 3d49 s SER 203 Ca 0.07 2.56 0.27 0.00 0.70 0.00 0.00 55.95 59.55 3d49 s SER 203 Cb -0.18 -2.59 1.33 0.00 -1.71 0.00 0.00 66.02 62.87 3d49 s SER 203 CO 0.11 -0.80 1.92 -0.81 1.20 0.00 0.00 173.24 174.86 3d49 n PRO 204 N 4.11 0.29 0.05 5.44 -0.04 -1.26 -0.49 135.00 143.10 3d49 n PRO 204 Ca 0.14 0.03 -0.19 0.00 -0.04 0.00 0.00 63.50 63.43 3d49 n PRO 204 Cb 0.39 -1.50 -0.14 0.00 -0.04 0.00 0.00 33.50 32.21 3d49 n PRO 204 CO 0.00 0.00 0.00 0.74 -0.04 0.00 0.00 175.50 176.20 3d49 h PHE 204 N 0.00 0.52 0.00 0.54 0.04 -1.97 -3.41 116.94 112.66 3d49 h PHE 204 Ca 0.00 -0.38 0.00 0.00 2.80 0.00 0.00 57.97 60.39 3d49 h PHE 204 Cb 0.31 -0.02 0.00 0.00 2.20 0.00 0.00 35.95 38.44 3d49 h PHE 204 CO 0.00 1.54 0.00 0.27 -0.60 0.00 0.00 178.31 179.52 3d49 n ASN 204 N -3.47 0.78 -2.63 2.17 2.04 -1.23 -5.02 115.26 107.89 3d49 n ASN 204 Ca -0.23 -1.28 -0.20 0.00 -0.44 0.00 0.00 54.58 52.43 3d49 n ASN 204 Cb 1.06 0.00 0.00 0.00 -2.53 0.00 0.00 39.78 38.31 3d49 n ASN 204 CO 0.00 0.00 0.00 0.59 -0.44 0.00 0.00 177.26 177.41 3d49 n ASN 205 N -0.14 -5.54 -4.65 0.53 5.03 0.36 -4.99 115.26 105.86 3d49 n ASN 205 Ca 0.00 -0.08 -0.31 0.00 0.87 0.00 0.00 54.58 55.06 3d49 n ASN 205 Cb 0.27 -4.58 -0.09 0.00 -1.02 0.00 0.00 39.78 34.36 3d49 n ASN 205 CO 0.00 0.00 0.00 -0.13 -1.83 0.00 0.00 177.26 175.30 3d49 s ARG 206 N -5.28 2.50 0.03 3.52 0.52 -1.24 -4.85 118.95 114.13 3d49 s ARG 206 Ca 0.11 -0.82 -0.24 0.00 -0.52 0.00 0.00 55.73 54.25 3d49 s ARG 206 Cb -0.05 -2.50 -0.05 0.00 0.52 0.00 0.00 34.95 32.86 3d49 s ARG 206 CO 0.13 0.56 0.74 -1.58 0.02 0.00 0.00 175.30 175.17 3d49 s TRP 207 N -1.21 3.71 -0.04 -0.53 0.52 -1.26 -0.84 118.94 119.29 3d49 s TRP 207 Ca 0.23 1.42 0.07 0.00 0.02 0.00 0.00 56.10 57.83 3d49 s TRP 207 Cb -0.11 -2.80 -0.01 0.00 -1.15 0.00 0.00 33.47 29.39 3d49 s TRP 207 CO 0.14 0.25 -0.25 0.71 0.02 0.00 0.00 176.95 177.83 3d49 s TYR 208 N 0.05 2.40 -0.48 -1.98 2.02 -0.18 -1.78 117.35 117.41 3d49 s TYR 208 Ca 0.38 -0.59 -0.22 0.00 -0.37 0.00 0.00 57.07 56.26 3d49 s TYR 208 Cb -0.20 -1.56 0.03 0.00 -0.40 0.00 0.00 41.96 39.83 3d49 s TYR 208 CO 0.22 -0.14 0.77 -1.14 -1.57 0.00 0.00 175.55 173.70 3d49 s GLN 209 N -0.36 3.32 0.06 -0.62 0.74 0.42 -0.99 119.66 122.23 3d49 s GLN 209 Ca 0.02 -0.31 0.19 0.00 0.05 0.00 0.00 55.36 55.31 3d49 s GLN 209 Cb -0.12 -3.99 -0.14 0.00 1.10 0.00 0.00 33.01 29.85 3d49 s GLN 209 CO 0.02 -1.20 0.76 -1.33 -0.55 0.00 0.00 175.29 172.99 3d49 n MET 210 N 6.73 0.63 -4.04 1.67 2.81 -0.19 -4.29 117.12 120.45 3d49 n MET 210 Ca 0.00 0.10 -0.08 0.00 -1.81 0.00 0.00 57.70 55.92 3d49 n MET 210 Cb 0.47 -1.74 -0.09 0.00 -0.71 0.00 0.00 33.22 31.15 3d49 n MET 210 CO 0.00 0.00 0.00 0.20 1.51 0.00 0.00 175.97 177.68 3d49 s GLY 211 N -4.69 0.44 -0.10 3.03 0.00 -0.89 -1.90 107.32 103.21 3d49 s GLY 211 Ca -0.04 -1.08 0.04 0.00 0.00 0.00 0.00 44.72 43.64 3d49 s GLY 211 CO 0.82 -1.18 -0.23 -0.42 0.00 0.00 0.00 173.10 172.09 3d49 s ILE 212 N -3.92 2.16 -0.03 0.90 1.01 -0.97 -1.02 121.20 119.33 3d49 s ILE 212 Ca 0.09 -0.99 -0.32 0.00 0.00 0.00 0.00 60.65 59.43 3d49 s ILE 212 Cb 0.07 -1.83 -0.10 0.00 0.01 0.00 0.00 42.46 40.61 3d49 s ILE 212 CO -0.09 0.56 1.94 0.52 0.00 0.00 0.00 174.94 177.88 3d49 n VAL 213 N 3.45 0.68 0.03 2.92 0.31 0.41 -0.95 118.33 125.19 3d49 n VAL 213 Ca -0.19 -0.13 -0.01 0.00 -0.01 0.00 0.00 64.34 64.00 3d49 n VAL 213 Cb 0.53 -2.13 -0.00 0.00 -0.91 0.00 0.00 33.84 31.32 3d49 n VAL 213 CO 0.00 0.00 0.00 -0.24 -1.32 0.00 0.00 176.83 175.27 3d49 n SER 214 N 7.25 1.11 -3.55 4.52 2.88 -0.49 -0.95 113.62 124.39 3d49 n SER 214 Ca 0.21 0.15 -0.11 0.00 -1.33 0.00 0.00 58.87 57.79 3d49 n SER 214 Cb 0.36 -0.35 -0.03 0.00 -0.75 0.00 0.00 64.21 63.44 3d49 n SER 214 CO 0.00 0.00 0.00 -1.66 -1.23 0.00 0.00 175.04 172.15 3d49 s TRP 215 N -2.00 -0.38 -0.07 0.66 1.48 -0.91 -4.91 118.94 112.81 3d49 s TRP 215 Ca -0.03 0.11 -0.30 0.00 -1.06 0.00 0.00 56.10 54.83 3d49 s TRP 215 Cb 0.00 0.48 0.10 0.00 -1.16 0.00 0.00 33.47 32.90 3d49 s TRP 215 CO 0.04 -0.85 0.86 0.20 -4.06 0.00 0.00 176.95 173.14 3d49 s GLY 216 N -2.79 -0.42 -0.61 3.67 0.00 -1.26 -0.10 107.32 105.81 3d49 s GLY 216 Ca 0.03 1.51 -0.19 0.00 0.00 0.00 0.00 44.72 46.08 3d49 s GLY 216 CO -0.10 0.79 0.71 1.85 0.00 0.00 0.00 173.10 176.35 3d49 s GLU 217 N -1.77 3.07 0.81 2.90 2.12 -1.26 -4.89 118.70 119.69 3d49 s GLU 217 Ca -0.02 -1.39 0.00 0.00 0.36 0.00 0.00 54.97 53.92 3d49 s GLU 217 Cb -0.00 -4.29 0.00 0.00 0.26 0.00 0.00 34.13 30.09 3d49 s GLU 217 CO 0.00 -1.53 0.00 0.41 -0.54 0.00 0.00 175.26 173.60 3d49 n GLY 219 N 5.25 -2.11 2.86 -1.50 0.00 -1.26 -4.75 105.19 103.67 3d49 n GLY 219 Ca -0.08 -1.44 -0.20 0.00 0.00 0.00 0.00 46.02 44.29 3d49 n GLY 219 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3d49 n ASP 221 N 4.28 -5.52 -4.79 0.00 2.03 -1.26 -4.64 116.55 106.65 3d49 n ASP 221 Ca -0.21 -0.43 -0.38 0.00 0.52 0.00 0.00 54.79 54.29 3d49 n ASP 221 Cb 0.51 -4.44 -0.06 0.00 -0.72 0.00 0.00 41.12 36.40 3d49 n ASP 221 CO 0.00 0.00 0.00 -0.13 -1.92 0.00 0.00 177.20 175.15 3d49 s ARG 221 N -6.03 4.47 0.30 -0.67 0.52 -1.26 -4.93 118.95 111.35 3d49 s ARG 221 Ca 0.44 1.11 -0.30 0.00 -0.52 0.00 0.00 55.73 56.46 3d49 s ARG 221 Cb -0.21 -3.00 -0.11 0.00 0.52 0.00 0.00 34.95 32.15 3d49 s ARG 221 CO 0.54 0.43 1.58 -0.51 0.02 0.00 0.00 175.30 177.36 3d49 s ASP 222 N -1.46 6.36 0.00 0.23 1.01 -1.26 -2.41 116.67 119.14 3d49 s ASP 222 Ca 0.42 2.97 0.00 0.00 0.71 0.00 0.00 52.55 56.65 3d49 s ASP 222 Cb -0.20 -2.64 0.00 0.00 1.01 0.00 0.00 42.92 41.09 3d49 s ASP 222 CO 0.24 -0.91 0.00 0.61 0.21 0.00 0.00 175.17 175.32 3d49 n GLY 223 N 1.95 1.39 3.71 0.21 0.00 -1.26 -5.01 105.19 106.18 3d49 n GLY 223 Ca 0.07 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.86 3d49 n GLY 223 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3d49 s LYS 224 N -0.24 2.53 0.05 1.61 1.02 -1.01 -4.74 119.74 118.95 3d49 s LYS 224 Ca 0.00 -1.22 0.01 0.00 0.02 0.00 0.00 55.97 54.78 3d49 s LYS 224 Cb 0.00 -2.34 -0.03 0.00 -0.52 0.00 0.00 37.83 34.94 3d49 s LYS 224 CO 0.00 0.40 -0.05 0.71 -0.92 0.00 0.00 175.35 175.49 3d49 s TYR 225 N -2.10 0.53 0.26 3.18 1.51 -1.26 -4.72 117.35 114.74 3d49 s TYR 225 Ca 0.31 -0.73 -0.17 0.00 -1.01 0.00 0.00 57.07 55.47 3d49 s TYR 225 Cb -0.08 -0.35 -0.08 0.00 -0.11 0.00 0.00 41.96 41.34 3d49 s TYR 225 CO 0.21 -0.21 0.71 0.20 -1.11 0.00 0.00 175.55 175.35 3d49 s GLY 226 N -2.15 2.47 -0.05 0.71 0.00 -0.69 -4.66 107.32 102.96 3d49 s GLY 226 Ca -0.04 0.07 0.00 0.00 0.00 0.00 0.00 44.72 44.76 3d49 s GLY 226 CO -0.04 0.35 -0.03 -1.36 0.00 0.00 0.00 173.10 172.03 3d49 s PHE 227 N -1.72 3.04 -0.02 1.90 0.40 0.86 -1.54 117.98 120.90 3d49 s PHE 227 Ca 0.47 0.08 0.04 0.00 -0.60 0.00 0.00 56.93 56.92 3d49 s PHE 227 Cb -0.14 -1.71 -0.01 0.00 0.51 0.00 0.00 43.02 41.67 3d49 s PHE 227 CO 0.19 0.41 -0.13 0.71 0.70 0.00 0.00 175.22 177.11 3d49 s TYR 228 N -0.92 1.20 0.20 0.36 1.51 -0.07 -1.39 117.35 118.24 3d49 s TYR 228 Ca 0.15 -0.25 -0.31 0.00 -1.01 0.00 0.00 57.07 55.65 3d49 s TYR 228 Cb -0.11 -0.79 -0.10 0.00 -0.11 0.00 0.00 41.96 40.85 3d49 s TYR 228 CO 0.05 -0.04 1.49 0.99 -1.11 0.00 0.00 175.55 176.92 3d49 s THR 229 N -0.21 2.72 -0.70 -0.71 2.01 -0.12 -1.24 115.64 117.39 3d49 s THR 229 Ca 0.03 0.56 -0.24 0.00 0.31 0.00 0.00 61.69 62.34 3d49 s THR 229 Cb -0.06 -3.36 0.05 0.00 0.01 0.00 0.00 72.50 69.15 3d49 s THR 229 CO -0.00 0.07 1.10 -2.28 -0.69 0.00 0.00 174.62 172.81 3d49 s HIS 230 N 0.58 2.52 0.19 4.92 2.46 0.37 -2.29 115.29 124.04 3d49 s HIS 230 Ca 0.64 -0.36 -0.11 0.00 0.47 0.00 0.00 55.06 55.70 3d49 s HIS 230 Cb -0.42 -4.43 0.11 0.00 -0.13 0.00 0.00 32.58 27.71 3d49 s HIS 230 CO 0.37 -1.83 1.80 0.28 -2.47 0.00 0.00 174.74 172.90 3d49 h VAL 231 N 6.00 1.21 -0.94 0.89 2.07 -1.69 -2.51 116.25 121.28 3d49 h VAL 231 Ca -0.27 -0.54 0.02 0.00 0.82 0.00 0.00 66.70 66.72 3d49 h VAL 231 Cb 1.06 0.34 -0.05 0.00 -1.52 0.00 0.00 31.29 31.12 3d49 h VAL 231 CO 1.22 0.24 0.62 0.15 0.02 0.00 0.00 177.57 179.82 3d49 h PHE 232 N 0.92 1.18 0.00 1.57 3.57 -1.88 -2.02 116.94 120.29 3d49 h PHE 232 Ca 0.24 0.03 -0.01 0.00 3.53 0.00 0.00 57.97 61.76 3d49 h PHE 232 Cb 0.05 -0.40 -0.00 0.00 2.79 0.00 0.00 35.95 38.39 3d49 h PHE 232 CO -0.00 0.72 -0.03 0.00 -2.23 0.00 0.00 178.31 176.77 3d49 h ARG 233 N 1.25 0.00 -0.42 1.11 2.47 -1.82 -1.96 114.38 115.01 3d49 h ARG 233 Ca 0.35 0.00 0.00 0.00 -1.26 0.00 0.00 59.98 59.07 3d49 h ARG 233 Cb -0.11 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 28.21 3d49 h ARG 233 CO -0.09 0.03 0.00 1.28 0.56 0.00 0.00 179.97 181.76 3d49 n LEU 234 N -3.44 3.57 0.09 3.04 4.77 -0.80 -4.66 117.00 119.57 3d49 n LEU 234 Ca -0.02 -2.30 0.00 0.00 -0.03 0.00 0.00 56.01 53.66 3d49 n LEU 234 Cb 0.14 -0.39 0.31 0.00 -2.33 0.00 0.00 43.42 41.16 3d49 n LEU 234 CO 0.25 0.76 0.79 0.50 -1.33 0.00 0.00 177.39 178.37 3d49 h LYS 235 N 2.56 0.28 -0.59 3.23 3.64 -0.87 -2.22 116.57 122.60 3d49 h LYS 235 Ca 0.00 -0.09 0.04 0.00 -1.27 0.00 0.00 60.65 59.33 3d49 h LYS 235 Cb 1.04 -0.03 -0.04 0.00 -0.41 0.00 0.00 32.23 32.80 3d49 h LYS 235 CO 0.09 0.50 0.35 0.87 -2.27 0.00 0.00 179.45 178.99 3d49 h LYS 236 N 0.26 0.65 -0.50 1.90 1.57 -1.83 0.47 116.57 119.10 3d49 h LYS 236 Ca 0.04 -0.04 -0.04 0.00 -1.87 0.00 0.00 60.65 58.75 3d49 h LYS 236 Cb 0.55 -0.15 -0.02 0.00 0.08 0.00 0.00 32.23 32.69 3d49 h LYS 236 CO 0.04 0.43 0.17 2.35 -0.57 0.00 0.00 179.45 181.87 3d49 h TRP 237 N 0.67 0.79 -0.54 -1.35 7.01 -1.79 0.12 115.95 120.86 3d49 h TRP 237 Ca 0.25 -0.07 0.04 0.00 2.11 0.00 0.00 58.89 61.21 3d49 h TRP 237 Cb 0.07 -0.23 -0.04 0.00 -2.10 0.00 0.00 29.16 26.86 3d49 h TRP 237 CO -0.07 0.68 0.30 0.82 -2.79 0.00 0.00 178.44 177.38 3d49 h ILE 238 N 0.67 1.00 -0.45 2.65 2.04 -0.99 -1.82 117.51 120.62 3d49 h ILE 238 Ca 0.16 -0.20 -0.03 0.00 1.00 0.00 0.00 64.86 65.80 3d49 h ILE 238 Cb 0.25 0.37 -0.02 0.00 -0.74 0.00 0.00 36.82 36.67 3d49 h ILE 238 CO -0.01 0.11 0.18 -0.61 0.00 0.00 0.00 178.15 177.82 3d49 h GLN 239 N 0.58 0.67 -0.49 2.37 5.75 -0.49 -1.48 115.11 122.01 3d49 h GLN 239 Ca 0.23 -0.12 0.04 0.00 -0.15 0.00 0.00 58.65 58.64 3d49 h GLN 239 Cb 0.09 -0.11 -0.04 0.00 1.07 0.00 0.00 27.48 28.49 3d49 h GLN 239 CO -0.13 0.61 0.26 -0.22 -2.65 0.00 0.00 178.83 176.70 3d49 h LYS 240 N 0.58 0.50 -0.18 1.69 3.64 -0.74 0.55 116.57 122.61 3d49 h LYS 240 Ca 0.15 -0.03 -0.01 0.00 -1.27 0.00 0.00 60.65 59.49 3d49 h LYS 240 Cb 0.19 -0.11 -0.01 0.00 -0.41 0.00 0.00 32.23 31.89 3d49 h LYS 240 CO -0.01 0.33 0.09 0.28 -2.27 0.00 0.00 179.45 177.87 3d49 h VAL 241 N 0.52 1.13 -0.36 2.00 2.07 -1.08 0.96 116.25 121.49 3d49 h VAL 241 Ca 0.21 -0.37 -0.10 0.00 0.82 0.00 0.00 66.70 67.26 3d49 h VAL 241 Cb 0.09 1.04 -0.02 0.00 -1.52 0.00 0.00 31.29 30.89 3d49 h VAL 241 CO -0.13 0.12 -0.20 0.40 0.02 0.00 0.00 177.57 177.79 3d49 h ILE 242 N 0.17 1.26 -0.51 4.57 2.04 -0.82 0.64 117.51 124.86 3d49 h ILE 242 Ca 0.06 -1.26 -0.12 0.00 1.00 0.00 0.00 64.86 64.55 3d49 h ILE 242 Cb 0.12 1.20 -0.01 0.00 -0.74 0.00 0.00 36.82 37.38 3d49 h ILE 242 CO -0.01 0.42 -0.16 0.44 0.00 0.00 0.00 178.15 178.84 3d49 h ASP 243 N 0.60 1.02 1.28 1.72 3.32 0.32 -3.17 116.42 121.51 3d49 h ASP 243 Ca 0.09 -0.37 -0.03 0.00 0.02 0.00 0.00 57.03 56.74 3d49 h ASP 243 Cb 0.66 -0.28 -0.01 0.00 0.22 0.00 0.00 39.33 39.93 3d49 h ASP 243 CO 0.05 1.16 -0.73 -0.61 -1.72 0.00 0.00 179.24 177.39 3d49 h GLN 244 N 0.87 0.00 0.00 3.56 4.15 -0.54 -3.51 115.11 119.64 3d49 h GLN 244 Ca 0.12 0.00 0.00 0.00 0.77 0.00 0.00 58.65 59.54 3d49 h GLN 244 Cb 0.74 0.00 0.00 0.00 0.21 0.00 0.00 27.48 28.43 3d49 h GLN 244 CO 0.06 0.08 0.00 1.19 -1.93 0.00 0.00 178.83 178.23