#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1a46 s VAL 17 N 0.00 5.28 -0.93 1.39 1.01 -0.26 -4.09 120.40 122.81 1a46 s VAL 17 Ca 0.00 0.30 -0.02 0.00 0.00 0.00 0.00 61.98 62.26 1a46 s VAL 17 Cb 0.00 -3.57 0.00 0.00 0.00 0.00 0.00 36.38 32.81 1a46 s VAL 17 CO 0.00 0.25 0.26 -0.62 0.00 0.00 0.00 175.10 174.99 1a46 n GLU 18 N 4.87 -2.32 0.00 2.72 -0.58 -1.26 -2.78 120.64 121.30 1a46 n GLU 18 Ca -0.13 0.54 0.00 0.00 -0.42 0.00 0.00 57.16 57.15 1a46 n GLU 18 Cb 0.52 -4.63 0.00 0.00 -0.57 0.00 0.00 31.44 26.76 1a46 n GLU 18 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 1a46 n GLY 19 N -1.15 1.82 3.38 0.62 0.00 -1.26 -4.70 105.19 103.90 1a46 n GLY 19 Ca -0.09 -1.96 -0.10 0.00 0.00 0.00 0.00 46.02 43.88 1a46 n GLY 19 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1a46 s SER 20 N -1.00 -0.01 0.34 1.61 1.04 0.23 -4.89 113.70 111.01 1a46 s SER 20 Ca 0.00 -0.81 -0.29 0.00 0.48 0.00 0.00 55.95 55.33 1a46 s SER 20 Cb 0.00 0.47 -0.11 0.00 0.10 0.00 0.00 66.02 66.48 1a46 s SER 20 CO 0.00 -0.93 1.48 -1.81 0.98 0.00 0.00 173.24 172.96 1a46 s ASP 21 N -2.95 6.44 0.67 7.02 1.01 -1.26 0.35 116.67 127.95 1a46 s ASP 21 Ca 0.16 2.94 -0.11 0.00 0.71 0.00 0.00 52.55 56.25 1a46 s ASP 21 Cb 0.02 -2.65 -0.01 0.00 1.01 0.00 0.00 42.92 41.29 1a46 s ASP 21 CO -0.00 -0.82 1.05 0.00 0.21 0.00 0.00 175.17 175.61 1a46 s ALA 22 N -0.75 2.81 0.56 5.23 0.00 -0.20 -4.75 121.76 124.66 1a46 s ALA 22 Ca 0.55 0.04 -0.12 0.00 0.00 0.00 0.00 51.96 52.43 1a46 s ALA 22 Cb -0.45 -3.15 -0.06 0.00 0.00 0.00 0.00 23.12 19.46 1a46 s ALA 22 CO 0.56 -1.05 0.98 -1.21 0.00 0.00 0.00 175.76 175.04 1a46 s GLU 23 N -5.05 3.73 0.44 0.00 2.02 -1.26 -4.93 118.70 113.64 1a46 s GLU 23 Ca 0.57 0.76 -0.25 0.00 0.02 0.00 0.00 54.97 56.07 1a46 s GLU 23 Cb -0.13 -2.15 -0.08 0.00 0.10 0.00 0.00 34.13 31.87 1a46 s GLU 23 CO 0.54 -0.40 1.33 0.42 0.02 0.00 0.00 175.26 177.17 1a46 s ILE 24 N -2.89 2.46 -0.26 -1.63 -1.09 -1.26 -2.73 121.20 113.81 1a46 s ILE 24 Ca 0.55 0.40 0.00 0.00 -2.23 0.00 0.00 60.65 59.37 1a46 s ILE 24 Cb -0.11 -3.23 0.00 0.00 -1.58 0.00 0.00 42.46 37.55 1a46 s ILE 24 CO 0.44 0.05 0.00 0.61 -1.23 0.00 0.00 174.94 174.80 1a46 n GLY 25 N 0.63 0.36 0.27 6.18 0.00 -1.26 -4.91 105.19 106.47 1a46 n GLY 25 Ca 0.05 -0.05 -0.11 0.00 0.00 0.00 0.00 46.02 45.91 1a46 n GLY 25 CO 0.00 0.00 0.00 1.98 0.00 0.00 0.00 173.32 175.30 1a46 h MET 26 N 0.23 0.93 -2.69 1.61 -1.53 -1.90 -3.37 114.93 108.22 1a46 h MET 26 Ca -0.05 -0.42 -0.60 0.00 -3.44 0.00 0.00 59.70 55.19 1a46 h MET 26 Cb 0.77 -0.02 -0.40 0.00 -0.55 0.00 0.00 31.60 31.40 1a46 h MET 26 CO 0.07 1.08 -0.79 0.43 0.14 0.00 0.00 176.91 177.83 1a46 n SER 27 N -4.09 1.10 0.08 1.39 7.64 -1.26 -4.97 113.62 113.51 1a46 n SER 27 Ca -0.00 -2.75 0.11 0.00 1.01 0.00 0.00 58.87 57.23 1a46 n SER 27 Cb 0.48 -0.64 0.44 0.00 -1.01 0.00 0.00 64.21 63.47 1a46 n SER 27 CO 0.00 0.00 0.00 -0.81 -3.01 0.00 0.00 175.04 171.22 1a46 n PRO 28 N 2.43 0.13 0.00 1.43 -0.04 -1.26 -1.65 135.00 136.05 1a46 n PRO 28 Ca 0.25 0.34 0.14 0.00 -0.04 0.00 0.00 63.50 64.19 1a46 n PRO 28 Cb 0.42 -1.74 0.46 0.00 -0.04 0.00 0.00 33.50 32.60 1a46 n PRO 28 CO 0.00 0.00 0.00 -2.67 -0.04 0.00 0.00 175.50 172.79 1a46 n TRP 29 N -1.99 0.00 -2.09 0.54 2.14 -1.03 -2.20 117.44 112.82 1a46 n TRP 29 Ca 0.03 0.00 -0.42 0.00 2.07 0.00 0.00 57.50 59.18 1a46 n TRP 29 Cb 0.23 -0.01 -0.03 0.00 -0.81 0.00 0.00 31.31 30.69 1a46 n TRP 29 CO 0.00 0.00 0.00 -1.14 2.07 0.00 0.00 177.69 178.62 1a46 s GLN 30 N -2.06 4.25 0.15 -2.67 2.00 -0.66 0.60 119.66 121.26 1a46 s GLN 30 Ca 0.35 2.13 0.09 0.00 -2.00 0.00 0.00 55.36 55.93 1a46 s GLN 30 Cb 0.21 -3.55 -0.04 0.00 0.80 0.00 0.00 33.01 30.43 1a46 s GLN 30 CO 0.35 -0.63 -0.12 0.08 -0.50 0.00 0.00 175.29 174.47 1a46 s VAL 31 N 2.37 3.13 -0.23 1.34 1.01 -0.67 -4.05 120.40 123.30 1a46 s VAL 31 Ca 0.68 -1.53 -0.05 0.00 0.00 0.00 0.00 61.98 61.08 1a46 s VAL 31 Cb -0.36 -2.50 -0.02 0.00 0.00 0.00 0.00 36.38 33.51 1a46 s VAL 31 CO 0.29 -0.00 -0.01 -0.32 0.00 0.00 0.00 175.10 175.06 1a46 s MET 32 N -2.51 3.48 -0.11 2.72 1.75 0.19 -1.58 119.30 123.24 1a46 s MET 32 Ca 0.22 -0.57 -0.26 0.00 -1.25 0.00 0.00 55.69 53.83 1a46 s MET 32 Cb -0.10 -3.11 -0.02 0.00 2.84 0.00 0.00 34.83 34.44 1a46 s MET 32 CO 0.13 -0.18 0.82 -0.51 -0.65 0.00 0.00 175.02 174.63 1a46 s LEU 33 N 1.49 4.25 -0.04 4.11 1.43 0.17 -1.89 118.68 128.19 1a46 s LEU 33 Ca 0.06 1.26 0.01 0.00 -1.03 0.00 0.00 54.13 54.42 1a46 s LEU 33 Cb -0.15 -3.25 0.02 0.00 0.03 0.00 0.00 46.19 42.85 1a46 s LEU 33 CO -0.01 -0.30 -0.03 0.12 0.23 0.00 0.00 176.35 176.36 1a46 s PHE 34 N 1.59 0.62 -0.02 0.29 5.36 0.24 -0.92 117.98 125.14 1a46 s PHE 34 Ca 0.40 -0.15 -0.29 0.00 -0.96 0.00 0.00 56.93 55.94 1a46 s PHE 34 Cb -0.18 -0.58 -0.03 0.00 -0.34 0.00 0.00 43.02 41.89 1a46 s PHE 34 CO 0.16 -0.17 0.94 0.50 -1.46 0.00 0.00 175.22 175.20 1a46 s ARG 35 N 0.89 4.53 0.45 10.12 3.52 0.20 -0.70 118.95 137.97 1a46 s ARG 35 Ca -0.11 1.34 0.21 0.00 -0.13 0.00 0.00 55.73 57.04 1a46 s ARG 35 Cb -0.14 -3.47 1.09 0.00 -1.56 0.00 0.00 34.95 30.88 1a46 s ARG 35 CO -0.00 -0.06 1.94 0.87 -0.81 0.00 0.00 175.30 177.24 1a46 h LYS 36 N 6.82 0.00 0.00 5.12 1.57 -1.84 -2.09 116.57 126.15 1a46 h LYS 36 Ca -0.40 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.38 1a46 h LYS 36 Cb 1.21 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.52 1a46 h LYS 36 CO 0.76 0.23 0.00 0.45 -0.57 0.00 0.00 179.45 180.31 1a46 n SER 36 N -3.77 0.00 -4.61 0.86 2.88 -1.26 -4.11 113.62 103.61 1a46 n SER 36 Ca -0.01 0.00 -0.38 0.00 -1.33 0.00 0.00 58.87 57.15 1a46 n SER 36 Cb 0.33 0.00 0.05 0.00 -0.75 0.00 0.00 64.21 63.84 1a46 n SER 36 CO 0.00 0.00 0.00 -0.81 -1.23 0.00 0.00 175.04 173.00 1a46 n PRO 37 N 0.00 0.91 -2.30 -1.46 -0.04 -1.26 -5.02 135.00 125.84 1a46 n PRO 37 Ca 0.00 0.35 -0.42 0.00 -0.04 0.00 0.00 63.50 63.39 1a46 n PRO 37 Cb 0.00 -2.14 -0.02 0.00 -0.04 0.00 0.00 33.50 31.30 1a46 n PRO 37 CO 0.00 0.00 0.00 -0.65 -0.04 0.00 0.00 175.50 174.81 1a46 s GLN 38 N -2.67 3.36 0.07 0.54 -0.21 -1.24 -4.63 119.66 114.87 1a46 s GLN 38 Ca 0.74 0.79 -0.17 0.00 0.02 0.00 0.00 55.36 56.75 1a46 s GLN 38 Cb -0.43 -4.11 0.03 0.00 1.00 0.00 0.00 33.01 29.50 1a46 s GLN 38 CO 0.48 -1.84 0.39 -1.83 -2.12 0.00 0.00 175.29 170.37 1a46 s GLU 39 N 5.42 0.95 -0.01 2.91 -1.05 -0.79 -4.95 118.70 121.18 1a46 s GLU 39 Ca 0.61 -0.50 -0.30 0.00 -0.15 0.00 0.00 54.97 54.62 1a46 s GLU 39 Cb -0.13 0.42 -0.05 0.00 -0.44 0.00 0.00 34.13 33.93 1a46 s GLU 39 CO 0.29 -0.34 1.27 -1.17 0.95 0.00 0.00 175.26 176.26 1a46 s LEU 40 N -2.28 4.31 -0.21 1.83 2.96 -1.26 0.62 118.68 124.65 1a46 s LEU 40 Ca -0.02 1.97 -0.19 0.00 -0.22 0.00 0.00 54.13 55.66 1a46 s LEU 40 Cb 0.00 -3.56 -0.18 0.00 0.50 0.00 0.00 46.19 42.94 1a46 s LEU 40 CO -0.06 -0.61 0.14 0.18 -1.32 0.00 0.00 176.35 174.68 1a46 n LEU 41 N 4.94 1.93 -3.89 -0.68 4.32 -0.10 -4.90 117.00 118.62 1a46 n LEU 41 Ca 0.11 0.39 -0.02 0.00 -0.02 0.00 0.00 56.01 56.47 1a46 n LEU 41 Cb 0.45 -0.95 0.02 0.00 -1.62 0.00 0.00 43.42 41.31 1a46 n LEU 41 CO 0.56 0.36 0.86 0.00 -1.22 0.00 0.00 177.39 177.95 1a46 s GLY 43 N -3.44 1.81 0.10 0.00 0.00 0.30 0.45 107.32 106.54 1a46 s GLY 43 Ca 0.22 -1.47 -0.26 0.00 0.00 0.00 0.00 44.72 43.21 1a46 s GLY 43 CO 0.04 -1.12 1.12 0.00 0.00 0.00 0.00 173.10 173.14 1a46 s ALA 44 N -2.82 -1.91 0.00 3.20 0.00 -0.61 -3.78 121.76 115.85 1a46 s ALA 44 Ca 0.59 0.08 0.00 0.00 0.00 0.00 0.00 51.96 52.63 1a46 s ALA 44 Cb -0.09 0.66 -0.00 0.00 0.00 0.00 0.00 23.12 23.69 1a46 s ALA 44 CO 0.39 -1.07 -0.02 -1.54 0.00 0.00 0.00 175.76 173.52 1a46 s SER 45 N -3.26 0.20 -0.23 0.00 1.04 -0.55 -1.66 113.70 109.23 1a46 s SER 45 Ca 0.19 -0.09 -0.22 0.00 0.48 0.00 0.00 55.95 56.31 1a46 s SER 45 Cb -0.00 -0.01 -0.02 0.00 0.10 0.00 0.00 66.02 66.10 1a46 s SER 45 CO 0.01 -0.02 0.70 -0.22 0.98 0.00 0.00 173.24 174.69 1a46 s LEU 46 N -0.23 4.09 -0.01 2.42 0.20 0.20 -0.71 118.68 124.63 1a46 s LEU 46 Ca -0.01 0.86 0.13 0.00 0.69 0.00 0.00 54.13 55.80 1a46 s LEU 46 Cb -0.02 -2.98 -0.18 0.00 -0.43 0.00 0.00 46.19 42.58 1a46 s LEU 46 CO -0.00 -0.39 0.42 2.30 -0.29 0.00 0.00 176.35 178.38 1a46 n ILE 47 N 5.08 0.00 -3.36 6.68 -5.35 -1.03 -1.69 119.36 119.69 1a46 n ILE 47 Ca 0.01 -0.26 -0.03 0.00 -0.27 0.00 0.00 62.75 62.20 1a46 n ILE 47 Cb 0.49 0.56 0.01 0.00 -1.74 0.00 0.00 39.64 38.95 1a46 n ILE 47 CO 0.00 0.00 0.00 -1.54 -1.76 0.00 0.00 176.55 173.25 1a46 n SER 48 N -1.67 -0.94 -0.02 7.28 3.41 -1.22 -4.66 113.62 115.80 1a46 n SER 48 Ca -0.00 -1.64 0.14 0.00 -0.26 0.00 0.00 58.87 57.11 1a46 n SER 48 Cb 0.29 1.56 0.64 0.00 -0.26 0.00 0.00 64.21 66.44 1a46 n SER 48 CO 0.00 0.00 0.00 -0.90 -0.16 0.00 0.00 175.04 173.98 1a46 n ASP 49 N -1.19 0.11 0.00 4.04 5.75 -1.26 -3.49 116.55 120.51 1a46 n ASP 49 Ca -0.03 0.04 0.00 0.00 -0.01 0.00 0.00 54.79 54.78 1a46 n ASP 49 Cb 0.25 -0.29 0.00 0.00 -1.03 0.00 0.00 41.12 40.04 1a46 n ASP 49 CO 0.00 0.00 0.00 0.54 -0.11 0.00 0.00 177.20 177.63 1a46 n ARG 50 N -1.34 -0.01 -4.99 0.11 1.74 -1.26 -0.26 116.66 110.66 1a46 n ARG 50 Ca 0.11 -0.36 -0.27 0.00 -0.77 0.00 0.00 57.85 56.56 1a46 n ARG 50 Cb 0.29 -0.84 -0.16 0.00 -1.02 0.00 0.00 32.46 30.73 1a46 n ARG 50 CO 0.00 0.00 0.00 -1.58 -1.52 0.00 0.00 177.63 174.53 1a46 s TRP 51 N -0.10 1.90 -0.03 -1.55 0.52 -1.23 -0.24 118.94 118.21 1a46 s TRP 51 Ca 0.00 -0.47 0.06 0.00 0.02 0.00 0.00 56.10 55.71 1a46 s TRP 51 Cb 0.00 -1.25 -0.01 0.00 -1.15 0.00 0.00 33.47 31.06 1a46 s TRP 51 CO 0.00 -0.12 -0.21 0.08 0.02 0.00 0.00 176.95 176.72 1a46 s VAL 52 N -0.22 1.72 -0.10 4.03 1.01 -0.32 -2.48 120.40 124.04 1a46 s VAL 52 Ca 0.01 -0.91 0.00 0.00 0.00 0.00 0.00 61.98 61.08 1a46 s VAL 52 Cb -0.10 -1.44 -0.03 0.00 0.00 0.00 0.00 36.38 34.82 1a46 s VAL 52 CO 0.01 0.49 -0.09 -0.22 0.00 0.00 0.00 175.10 175.29 1a46 s LEU 53 N -0.38 3.02 0.00 3.92 2.96 0.11 -1.48 118.68 126.83 1a46 s LEU 53 Ca 0.05 -0.14 0.01 0.00 -0.22 0.00 0.00 54.13 53.83 1a46 s LEU 53 Cb -0.10 -1.67 -0.00 0.00 0.50 0.00 0.00 46.19 44.92 1a46 s LEU 53 CO 0.00 0.27 0.32 1.07 -1.32 0.00 0.00 176.35 176.69 1a46 n THR 54 N 2.81 0.00 -2.78 3.68 5.66 -0.18 -1.48 114.28 121.99 1a46 n THR 54 Ca -0.18 -1.51 -0.42 0.00 -3.05 0.00 0.00 64.05 58.89 1a46 n THR 54 Cb 0.53 0.86 -0.03 0.00 -1.55 0.00 0.00 70.33 70.13 1a46 n THR 54 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 1a46 s ALA 55 N -2.67 3.60 0.47 1.79 0.00 -1.26 -1.29 121.76 122.41 1a46 s ALA 55 Ca 0.25 0.09 0.21 0.00 0.00 0.00 0.00 51.96 52.50 1a46 s ALA 55 Cb 0.00 -3.39 1.21 0.00 0.00 0.00 0.00 23.12 20.94 1a46 s ALA 55 CO 0.18 -0.87 1.93 0.00 0.00 0.00 0.00 175.76 177.00 1a46 h ALA 56 N 7.44 2.32 0.00 0.00 0.00 -1.71 -1.95 119.26 125.36 1a46 h ALA 56 Ca -0.24 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.66 1a46 h ALA 56 Cb 1.10 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.87 1a46 h ALA 56 CO 0.90 -0.53 0.00 -2.39 0.00 0.00 0.00 179.25 177.24 1a46 n HIS 57 N -4.43 0.00 0.18 0.00 1.44 -1.26 -2.05 115.22 109.09 1a46 n HIS 57 Ca 0.14 0.00 0.07 0.00 -2.01 0.00 0.00 57.72 55.91 1a46 n HIS 57 Cb 0.62 -0.11 0.10 0.00 0.12 0.00 0.00 29.99 30.72 1a46 n HIS 57 CO 0.00 0.00 0.00 0.00 -2.81 0.00 0.00 176.34 173.53 1a46 n LEU 59 N -3.18 2.42 -3.84 0.00 4.77 -0.87 -4.83 117.00 111.47 1a46 n LEU 59 Ca 0.03 0.05 -0.26 0.00 -0.03 0.00 0.00 56.01 55.80 1a46 n LEU 59 Cb 0.64 -0.72 -0.17 0.00 -2.33 0.00 0.00 43.42 40.84 1a46 n LEU 59 CO 0.38 0.71 -0.41 -0.22 -1.33 0.00 0.00 177.39 176.51 1a46 s LEU 60 N -6.67 1.09 0.16 2.23 2.96 -0.94 0.11 118.68 117.62 1a46 s LEU 60 Ca -0.30 -0.38 -0.22 0.00 -0.22 0.00 0.00 54.13 53.01 1a46 s LEU 60 Cb 0.10 -0.70 0.07 0.00 0.50 0.00 0.00 46.19 46.15 1a46 s LEU 60 CO 0.46 -0.18 0.58 -0.47 -1.32 0.00 0.00 176.35 175.42 1a46 s TYR 60 N 1.79 -0.50 0.00 5.38 5.04 0.15 -4.18 117.35 125.03 1a46 s TYR 60 Ca 0.03 0.27 0.00 0.00 -2.44 0.00 0.00 57.07 54.94 1a46 s TYR 60 Cb -0.14 0.52 0.00 0.00 0.35 0.00 0.00 41.96 42.70 1a46 s TYR 60 CO -0.07 -0.83 0.00 -2.30 -1.34 0.00 0.00 175.55 171.01 1a46 n PRO 60 N -0.36 0.00 -0.19 4.97 -0.02 -1.26 -1.35 135.00 136.80 1a46 n PRO 60 Ca -0.17 0.00 0.07 0.00 -2.02 0.00 0.00 63.50 61.38 1a46 n PRO 60 Cb 0.65 -0.18 0.10 0.00 -0.02 0.00 0.00 33.50 34.05 1a46 n PRO 60 CO 0.00 0.00 0.00 0.91 1.98 0.00 0.00 175.50 178.39 1a46 n TRP 60 N -0.05 0.00 -3.54 6.00 8.01 -1.26 -4.98 117.44 121.62 1a46 n TRP 60 Ca 0.00 -0.70 -0.26 0.00 -1.31 0.00 0.00 57.50 55.23 1a46 n TRP 60 Cb 0.00 -0.12 0.01 0.00 -2.01 0.00 0.00 31.31 29.20 1a46 n TRP 60 CO 0.00 0.00 0.00 -0.25 -1.01 0.00 0.00 177.69 176.43 1a46 n ASP 60 N -1.00 -4.55 -4.64 -0.99 8.00 -1.17 -4.97 116.55 107.24 1a46 n ASP 60 Ca 0.11 -0.53 -0.38 0.00 0.71 0.00 0.00 54.79 54.70 1a46 n ASP 60 Cb 0.64 -3.69 -0.09 0.00 -0.02 0.00 0.00 41.12 37.97 1a46 n ASP 60 CO 0.00 0.00 0.00 -0.75 -0.39 0.00 0.00 177.20 176.06 1a46 s LYS 60 N -6.22 4.07 -0.46 -1.24 2.20 -0.45 -5.00 119.74 112.63 1a46 s LYS 60 Ca 0.49 -0.08 0.06 0.00 -0.36 0.00 0.00 55.97 56.09 1a46 s LYS 60 Cb -0.25 -3.58 0.20 0.00 -1.51 0.00 0.00 37.83 32.69 1a46 s LYS 60 CO 0.61 -0.08 0.62 -1.71 -0.36 0.00 0.00 175.35 174.44 1a46 n ASN 60 N 4.68 -2.00 -4.77 1.43 2.85 -1.17 -0.67 115.26 115.61 1a46 n ASN 60 Ca -0.12 -2.81 -0.39 0.00 -0.11 0.00 0.00 54.58 51.16 1a46 n ASN 60 Cb 0.51 0.78 -0.05 0.00 1.24 0.00 0.00 39.78 42.27 1a46 n ASN 60 CO 0.00 0.00 0.00 -0.36 -2.11 0.00 0.00 177.26 174.79 1a46 s PHE 60 N 0.31 3.54 0.22 1.20 0.08 0.29 -4.98 117.98 118.65 1a46 s PHE 60 Ca 0.32 1.72 0.08 0.00 0.12 0.00 0.00 56.93 59.17 1a46 s PHE 60 Cb 0.08 -3.18 -0.04 0.00 -0.57 0.00 0.00 43.02 39.31 1a46 s PHE 60 CO -0.14 -0.41 0.01 0.99 -0.10 0.00 0.00 175.22 175.57 1a46 s THR 60 N -1.34 3.64 0.48 0.64 2.01 -1.26 -4.85 115.64 114.95 1a46 s THR 60 Ca 0.48 -1.64 0.22 0.00 0.31 0.00 0.00 61.69 61.06 1a46 s THR 60 Cb -0.27 -2.89 0.40 0.00 0.01 0.00 0.00 72.50 69.74 1a46 s THR 60 CO 0.35 -0.24 1.93 1.05 -0.69 0.00 0.00 174.62 177.01 1a46 h GLU 61 N 2.27 0.21 0.00 4.92 9.09 -1.94 0.15 114.58 129.27 1a46 h GLU 61 Ca -0.46 -0.01 0.00 0.00 0.05 0.00 0.00 59.36 58.94 1a46 h GLU 61 Cb 1.23 -0.05 0.00 0.00 -1.65 0.00 0.00 28.75 28.28 1a46 h GLU 61 CO 0.59 0.14 0.00 -0.91 0.05 0.00 0.00 179.01 178.88 1a46 h ASN 62 N 0.21 0.00 1.63 3.06 2.35 -1.96 -3.04 115.58 117.84 1a46 h ASN 62 Ca 0.36 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 56.11 1a46 h ASN 62 Cb 1.11 0.00 0.00 0.00 0.05 0.00 0.00 38.32 39.48 1a46 h ASN 62 CO -0.07 0.00 0.00 0.44 -1.65 0.00 0.00 177.43 176.15 1a46 h ASP 63 N 0.00 0.00 -4.17 5.81 3.32 -1.10 -3.48 116.42 116.80 1a46 h ASP 63 Ca 0.00 0.00 -0.39 0.00 0.02 0.00 0.00 57.03 56.66 1a46 h ASP 63 Cb 0.59 0.00 -0.14 0.00 0.22 0.00 0.00 39.33 40.00 1a46 h ASP 63 CO 0.00 0.00 -0.60 -0.76 -1.72 0.00 0.00 179.24 176.16 1a46 s LEU 64 N -5.12 1.78 0.03 1.55 1.43 -1.15 -2.94 118.68 114.25 1a46 s LEU 64 Ca 0.09 -1.42 0.02 0.00 -1.03 0.00 0.00 54.13 51.80 1a46 s LEU 64 Cb 0.10 -0.06 -0.02 0.00 0.03 0.00 0.00 46.19 46.24 1a46 s LEU 64 CO 0.62 -0.73 -0.07 -0.76 0.23 0.00 0.00 176.35 175.63 1a46 s LEU 65 N -3.37 2.18 -0.31 1.79 1.02 0.12 -4.55 118.68 115.56 1a46 s LEU 65 Ca 0.37 -0.41 -0.08 0.00 0.02 0.00 0.00 54.13 54.03 1a46 s LEU 65 Cb 0.07 -0.21 0.00 0.00 0.02 0.00 0.00 46.19 46.07 1a46 s LEU 65 CO 0.15 -0.11 0.12 -0.69 0.02 0.00 0.00 176.35 175.83 1a46 s VAL 66 N -0.97 4.27 -0.31 -1.59 1.01 -0.76 -0.59 120.40 121.45 1a46 s VAL 66 Ca -0.06 -0.58 -0.03 0.00 0.00 0.00 0.00 61.98 61.31 1a46 s VAL 66 Cb -0.07 -3.20 0.04 0.00 0.00 0.00 0.00 36.38 33.15 1a46 s VAL 66 CO 0.00 0.06 0.03 -0.13 0.00 0.00 0.00 175.10 175.06 1a46 s ARG 67 N 1.55 2.57 -0.08 2.72 0.52 -0.79 0.02 118.95 125.45 1a46 s ARG 67 Ca 0.03 -1.19 -0.03 0.00 -0.52 0.00 0.00 55.73 54.03 1a46 s ARG 67 Cb -0.17 -3.25 -0.04 0.00 0.52 0.00 0.00 34.95 32.01 1a46 s ARG 67 CO 0.04 -0.60 0.04 0.42 0.02 0.00 0.00 175.30 175.22 1a46 s ILE 68 N 1.32 4.61 0.00 1.52 1.01 -0.49 -0.64 121.20 128.53 1a46 s ILE 68 Ca -0.03 -0.17 0.00 0.00 0.00 0.00 0.00 60.65 60.45 1a46 s ILE 68 Cb -0.19 -2.97 0.00 0.00 0.01 0.00 0.00 42.46 39.30 1a46 s ILE 68 CO -0.00 0.58 0.00 0.61 0.00 0.00 0.00 174.94 176.13 1a46 n GLY 69 N 2.00 0.68 3.89 6.18 0.00 -1.26 -1.39 105.19 115.29 1a46 n GLY 69 Ca -0.18 -0.72 -0.30 0.00 0.00 0.00 0.00 46.02 44.82 1a46 n GLY 69 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1a46 s LYS 70 N -2.15 3.72 0.00 1.61 1.02 -1.26 -4.47 119.74 118.22 1a46 s LYS 70 Ca 0.00 0.20 0.00 0.00 0.02 0.00 0.00 55.97 56.19 1a46 s LYS 70 Cb 0.00 -2.58 0.00 0.00 -0.52 0.00 0.00 37.83 34.73 1a46 s LYS 70 CO 0.00 0.18 0.00 1.58 -0.92 0.00 0.00 175.35 176.19 1a46 n HIS 71 N -0.80 -0.01 -3.00 3.18 -0.00 -1.26 -4.95 115.22 108.39 1a46 n HIS 71 Ca -0.00 0.00 -0.39 0.00 -0.00 0.00 0.00 57.72 57.33 1a46 n HIS 71 Cb 0.53 0.13 -0.06 0.00 -0.00 0.00 0.00 29.99 30.60 1a46 n HIS 71 CO 0.00 0.00 0.00 0.45 -0.00 0.00 0.00 176.34 176.79 1a46 s SER 72 N -5.01 7.32 0.17 0.26 0.15 -1.26 -1.58 113.70 113.76 1a46 s SER 72 Ca 0.00 1.56 -0.12 0.00 0.70 0.00 0.00 55.95 58.09 1a46 s SER 72 Cb 0.00 -2.48 0.07 0.00 -1.71 0.00 0.00 66.02 61.90 1a46 s SER 72 CO 0.00 0.16 1.73 -0.09 1.20 0.00 0.00 173.24 176.24 1a46 h ARG 73 N 4.71 0.87 0.00 5.44 2.43 -0.99 -3.39 114.38 123.45 1a46 h ARG 73 Ca -0.46 -0.15 0.00 0.00 -0.81 0.00 0.00 59.98 58.55 1a46 h ARG 73 Cb 1.21 -0.14 0.00 0.00 -0.42 0.00 0.00 29.97 30.61 1a46 h ARG 73 CO 0.67 0.74 -1.10 0.25 -1.51 0.00 0.00 179.97 179.02 1a46 n THR 74 N -4.48 0.00 -1.58 0.20 -2.24 -1.26 -5.03 114.28 99.89 1a46 n THR 74 Ca 0.03 -0.22 -0.30 0.00 -2.27 0.00 0.00 64.05 61.29 1a46 n THR 74 Cb 0.16 0.50 0.08 0.00 -2.10 0.00 0.00 70.33 68.96 1a46 n THR 74 CO 0.00 0.00 0.00 -0.13 -0.57 0.00 0.00 175.07 174.37 1a46 s ARG 75 N -2.34 2.35 -0.60 -0.78 1.81 -1.26 -4.97 118.95 113.15 1a46 s ARG 75 Ca -0.01 0.71 -0.19 0.00 -1.72 0.00 0.00 55.73 54.51 1a46 s ARG 75 Cb 0.05 -1.94 0.10 0.00 -0.45 0.00 0.00 34.95 32.71 1a46 s ARG 75 CO 0.33 -1.45 0.74 -0.47 -0.68 0.00 0.00 175.30 173.77 1a46 s TYR 76 N -3.14 2.95 -0.82 -0.53 5.04 -1.26 -4.90 117.35 114.69 1a46 s TYR 76 Ca 0.60 -0.89 -0.23 0.00 -2.44 0.00 0.00 57.07 54.10 1a46 s TYR 76 Cb -0.14 -4.05 -0.16 0.00 0.35 0.00 0.00 41.96 37.96 1a46 s TYR 76 CO 0.54 -1.34 1.90 0.39 -1.34 0.00 0.00 175.55 175.70 1a46 n GLU 77 N 6.53 1.35 -1.67 4.97 1.02 -1.26 -4.92 120.64 126.65 1a46 n GLU 77 Ca -0.09 -1.94 -0.53 0.00 -0.02 0.00 0.00 57.16 54.58 1a46 n GLU 77 Cb 0.43 -3.14 -0.06 0.00 -0.02 0.00 0.00 31.44 28.65 1a46 n GLU 77 CO 0.00 0.00 0.00 -2.13 1.18 0.00 0.00 177.13 176.18 1a46 n ARG 77 N 7.50 1.47 -0.08 3.49 0.63 -1.26 -1.44 116.66 126.97 1a46 n ARG 77 Ca 0.48 0.54 0.00 0.00 -0.92 0.00 0.00 57.85 57.95 1a46 n ARG 77 Cb 0.43 -2.26 0.00 0.00 0.45 0.00 0.00 32.46 31.08 1a46 n ARG 77 CO 0.00 0.00 0.00 0.09 -2.51 0.00 0.00 177.63 175.21 1a46 n ASN 78 N 4.84 0.00 -0.04 6.15 5.03 -1.26 -4.81 115.26 125.17 1a46 n ASN 78 Ca 0.23 0.00 -0.06 0.00 0.87 0.00 0.00 54.58 55.62 1a46 n ASN 78 Cb 0.19 0.00 -0.02 0.00 -1.02 0.00 0.00 39.78 38.94 1a46 n ASN 78 CO 0.00 0.00 0.00 -0.38 -1.83 0.00 0.00 177.26 175.05 1a46 n ILE 79 N -2.00 1.34 -2.67 2.41 5.41 -0.54 -5.06 119.36 118.26 1a46 n ILE 79 Ca 0.00 0.23 -0.33 0.00 1.00 0.00 0.00 62.75 63.65 1a46 n ILE 79 Cb 0.00 -2.06 -0.05 0.00 -0.71 0.00 0.00 39.64 36.81 1a46 n ILE 79 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 176.55 174.72 1a46 s GLU 80 N -2.53 4.06 -0.08 0.38 -1.05 -0.52 -4.82 118.70 114.13 1a46 s GLU 80 Ca -0.19 1.16 0.04 0.00 -0.15 0.00 0.00 54.97 55.83 1a46 s GLU 80 Cb 0.03 -2.15 -0.01 0.00 -0.44 0.00 0.00 34.13 31.55 1a46 s GLU 80 CO 0.28 -0.18 -0.21 0.15 0.95 0.00 0.00 175.26 176.25 1a46 s LYS 81 N -3.34 2.81 -0.23 -4.83 -0.14 -0.49 -4.92 119.74 108.60 1a46 s LYS 81 Ca 0.63 -0.82 -0.04 0.00 -1.36 0.00 0.00 55.97 54.38 1a46 s LYS 81 Cb -0.11 -2.32 -0.00 0.00 -1.68 0.00 0.00 37.83 33.72 1a46 s LYS 81 CO 0.18 0.35 -0.04 0.42 -0.76 0.00 0.00 175.35 175.50 1a46 s ILE 82 N -0.06 3.34 0.41 2.17 1.01 -1.26 -1.40 121.20 125.42 1a46 s ILE 82 Ca -0.05 -0.58 0.07 0.00 0.00 0.00 0.00 60.65 60.08 1a46 s ILE 82 Cb -0.14 -2.56 -0.07 0.00 0.01 0.00 0.00 42.46 39.70 1a46 s ILE 82 CO 0.05 0.37 0.06 -0.44 0.00 0.00 0.00 174.94 174.97 1a46 s SER 83 N 1.46 4.05 0.12 3.58 0.01 0.10 -4.99 113.70 118.03 1a46 s SER 83 Ca 0.05 -1.28 0.06 0.00 1.31 0.00 0.00 55.95 56.09 1a46 s SER 83 Cb -0.15 -0.41 -0.04 0.00 0.21 0.00 0.00 66.02 65.63 1a46 s SER 83 CO -0.03 -0.49 -0.04 -0.04 0.41 0.00 0.00 173.24 173.05 1a46 s MET 84 N -3.77 2.35 0.06 12.44 -1.94 -1.26 -1.84 119.30 125.33 1a46 s MET 84 Ca 0.36 -0.98 -0.16 0.00 -1.71 0.00 0.00 55.69 53.21 1a46 s MET 84 Cb 0.08 -2.40 -0.06 0.00 2.01 0.00 0.00 34.83 34.45 1a46 s MET 84 CO 0.19 0.51 0.49 -0.51 -0.01 0.00 0.00 175.02 175.68 1a46 s LEU 85 N -2.43 4.45 -0.20 -0.03 1.43 -1.26 0.18 118.68 120.82 1a46 s LEU 85 Ca 0.25 1.07 0.08 0.00 -1.03 0.00 0.00 54.13 54.49 1a46 s LEU 85 Cb -0.11 -2.85 -0.22 0.00 0.03 0.00 0.00 46.19 43.04 1a46 s LEU 85 CO 0.17 0.25 0.04 1.21 0.23 0.00 0.00 176.35 178.25 1a46 n GLU 86 N 1.51 0.68 -3.55 1.70 2.13 0.91 -4.61 120.64 119.41 1a46 n GLU 86 Ca -0.11 0.11 -0.15 0.00 0.66 0.00 0.00 57.16 57.68 1a46 n GLU 86 Cb 0.52 -1.57 -0.06 0.00 0.27 0.00 0.00 31.44 30.60 1a46 n GLU 86 CO 0.00 0.00 0.00 0.21 -0.41 0.00 0.00 177.13 176.93 1a46 s LYS 87 N -2.52 0.87 -0.07 5.31 2.36 -1.12 -5.00 119.74 119.57 1a46 s LYS 87 Ca -0.21 0.25 0.05 0.00 -2.55 0.00 0.00 55.97 53.52 1a46 s LYS 87 Cb 0.07 0.41 -0.01 0.00 -1.05 0.00 0.00 37.83 37.26 1a46 s LYS 87 CO 0.73 -0.26 -0.24 0.42 1.55 0.00 0.00 175.35 177.55 1a46 s ILE 88 N -1.07 2.02 -0.13 5.43 1.01 -1.26 -0.37 121.20 126.83 1a46 s ILE 88 Ca -0.07 -1.03 0.01 0.00 0.00 0.00 0.00 60.65 59.55 1a46 s ILE 88 Cb -0.00 -1.72 0.02 0.00 0.01 0.00 0.00 42.46 40.77 1a46 s ILE 88 CO 0.06 0.56 -0.13 -0.31 0.00 0.00 0.00 174.94 175.12 1a46 s TYR 89 N -0.01 1.92 -0.11 3.97 1.51 0.23 -5.01 117.35 119.85 1a46 s TYR 89 Ca -0.08 -0.99 -0.01 0.00 -1.01 0.00 0.00 57.07 54.98 1a46 s TYR 89 Cb -0.15 -1.44 -0.02 0.00 -0.11 0.00 0.00 41.96 40.24 1a46 s TYR 89 CO 0.05 -0.56 -0.08 0.42 -1.11 0.00 0.00 175.55 174.27 1a46 s ILE 90 N 1.36 3.56 0.01 2.71 1.01 -1.26 -0.22 121.20 128.37 1a46 s ILE 90 Ca 0.01 -0.50 -0.36 0.00 0.00 0.00 0.00 60.65 59.80 1a46 s ILE 90 Cb -0.13 -2.50 -0.14 0.00 0.01 0.00 0.00 42.46 39.70 1a46 s ILE 90 CO -0.07 0.54 1.63 1.57 0.00 0.00 0.00 174.94 178.62 1a46 n HIS 91 N 2.99 2.08 0.25 3.97 -0.00 -1.01 -4.80 115.22 118.70 1a46 n HIS 91 Ca -0.18 0.32 0.17 0.00 -0.00 0.00 0.00 57.72 58.03 1a46 n HIS 91 Cb 0.53 -2.51 0.89 0.00 -0.00 0.00 0.00 29.99 28.89 1a46 n HIS 91 CO 0.00 0.00 0.00 -1.00 -0.00 0.00 0.00 176.34 175.34 1a46 h PRO 92 N 6.70 0.00 -0.39 1.57 0.13 -1.95 -2.78 132.00 135.28 1a46 h PRO 92 Ca -0.47 0.00 -0.19 0.00 -0.87 0.00 0.00 66.00 64.47 1a46 h PRO 92 Cb 1.29 0.00 -0.11 0.00 0.13 0.00 0.00 31.00 32.30 1a46 h PRO 92 CO 0.89 0.00 -0.03 0.54 -0.23 0.00 0.00 178.00 179.17 1a46 n ARG 93 N -3.73 1.94 -1.82 0.86 1.74 -1.26 -5.00 116.66 109.38 1a46 n ARG 93 Ca -0.01 -3.16 -0.42 0.00 -0.77 0.00 0.00 57.85 53.50 1a46 n ARG 93 Cb 0.22 -1.84 -0.03 0.00 -1.02 0.00 0.00 32.46 29.79 1a46 n ARG 93 CO 0.00 0.00 0.00 -0.47 -1.52 0.00 0.00 177.63 175.64 1a46 s TYR 94 N -3.23 2.94 -0.88 -1.55 5.04 -1.05 -4.71 117.35 113.91 1a46 s TYR 94 Ca 0.45 0.55 -0.10 0.00 -2.44 0.00 0.00 57.07 55.53 1a46 s TYR 94 Cb 0.41 -4.04 0.23 0.00 0.35 0.00 0.00 41.96 38.90 1a46 s TYR 94 CO 0.01 -3.81 0.81 1.21 -1.34 0.00 0.00 175.55 172.44 1a46 s ASN 95 N 1.01 6.63 0.35 4.32 3.84 0.16 -4.85 114.94 126.40 1a46 s ASN 95 Ca 0.70 -3.04 0.19 0.00 0.21 0.00 0.00 52.86 50.92 1a46 s ASN 95 Cb -0.47 -2.14 0.37 0.00 -0.55 0.00 0.00 41.25 38.46 1a46 s ASN 95 CO 0.35 -0.44 1.59 4.11 -2.79 0.00 0.00 177.10 179.92 1a46 h TRP 96 N 7.23 0.00 -0.23 0.43 5.08 -1.94 -0.23 115.95 126.30 1a46 h TRP 96 Ca 0.11 0.00 -0.08 0.00 1.08 0.00 0.00 58.89 60.00 1a46 h TRP 96 Cb 0.97 0.00 -0.01 0.00 -3.00 0.00 0.00 29.16 27.11 1a46 h TRP 96 CO 0.90 0.35 -0.20 0.00 -1.28 0.00 0.00 178.44 178.20 1a46 h ARG 97 N 0.00 0.41 0.00 0.12 3.08 -1.99 -3.44 114.38 112.57 1a46 h ARG 97 Ca -0.00 -0.14 0.00 0.00 0.07 0.00 0.00 59.98 59.91 1a46 h ARG 97 Cb 1.13 -0.04 0.00 0.00 0.08 0.00 0.00 29.97 31.15 1a46 h ARG 97 CO 0.05 0.60 0.00 -1.91 -1.07 0.00 0.00 179.97 177.64 1a46 n GLU 97 N -4.16 0.00 -0.16 0.04 2.13 -1.25 -5.02 120.64 112.21 1a46 n GLU 97 Ca -0.00 0.00 0.02 0.00 0.66 0.00 0.00 57.16 57.84 1a46 n GLU 97 Cb 0.36 -0.31 0.03 0.00 0.27 0.00 0.00 31.44 31.79 1a46 n GLU 97 CO 0.00 0.00 0.00 0.27 -0.41 0.00 0.00 177.13 176.99 1a46 n ASN 98 N -3.23 0.88 -2.44 4.31 6.94 -1.24 -5.00 115.26 115.48 1a46 n ASN 98 Ca 0.00 -1.92 -0.18 0.00 -0.02 0.00 0.00 54.58 52.46 1a46 n ASN 98 Cb 0.00 -0.15 0.03 0.00 -2.36 0.00 0.00 39.78 37.30 1a46 n ASN 98 CO 0.00 0.00 0.00 0.18 -1.03 0.00 0.00 177.26 176.41 1a46 n LEU 99 N -0.39 -2.45 -4.73 -4.53 4.77 -0.10 -4.96 117.00 104.60 1a46 n LEU 99 Ca 0.03 -0.22 -0.41 0.00 -0.03 0.00 0.00 56.01 55.37 1a46 n LEU 99 Cb 0.54 -2.49 -0.03 0.00 -2.33 0.00 0.00 43.42 39.10 1a46 n LEU 99 CO 0.00 0.18 0.89 -0.62 -1.33 0.00 0.00 177.39 176.51 1a46 s ASP 100 N -2.75 7.08 -0.94 -1.43 2.15 -1.22 -3.16 116.67 116.40 1a46 s ASP 100 Ca 0.24 2.20 -0.02 0.00 0.43 0.00 0.00 52.55 55.40 1a46 s ASP 100 Cb -0.10 -2.60 0.00 0.00 -0.30 0.00 0.00 42.92 39.92 1a46 s ASP 100 CO 0.29 -0.39 0.79 0.54 -0.17 0.00 0.00 175.17 176.24 1a46 n ARG 101 N 2.74 -5.29 -2.51 4.34 1.74 -1.26 0.37 116.66 116.79 1a46 n ARG 101 Ca 0.05 0.63 -0.41 0.00 -0.77 0.00 0.00 57.85 57.36 1a46 n ARG 101 Cb 0.45 -5.03 -0.01 0.00 -1.02 0.00 0.00 32.46 26.84 1a46 n ARG 101 CO 0.00 0.00 0.00 0.34 -1.52 0.00 0.00 177.63 176.45 1a46 s ASP 102 N -3.78 6.57 -0.08 0.55 2.15 -1.19 -4.37 116.67 116.52 1a46 s ASP 102 Ca 0.13 -2.26 -0.14 0.00 0.43 0.00 0.00 52.55 50.71 1a46 s ASP 102 Cb -0.06 -2.58 0.03 0.00 -0.30 0.00 0.00 42.92 40.01 1a46 s ASP 102 CO 0.55 -1.46 0.35 -0.51 -0.17 0.00 0.00 175.17 173.94 1a46 s ILE 103 N 5.22 0.03 0.04 4.11 2.07 -1.26 -3.89 121.20 127.51 1a46 s ILE 103 Ca 0.55 -0.21 -0.13 0.00 -1.41 0.00 0.00 60.65 59.45 1a46 s ILE 103 Cb 0.03 -0.58 0.02 0.00 0.13 0.00 0.00 42.46 42.06 1a46 s ILE 103 CO 0.07 -0.12 0.29 0.00 -1.91 0.00 0.00 174.94 173.28 1a46 s ALA 104 N -0.53 -0.66 0.01 1.50 0.00 -0.41 -2.41 121.76 119.25 1a46 s ALA 104 Ca -0.06 0.01 0.07 0.00 0.00 0.00 0.00 51.96 51.97 1a46 s ALA 104 Cb -0.04 0.29 -0.03 0.00 0.00 0.00 0.00 23.12 23.35 1a46 s ALA 104 CO 0.03 -0.39 -0.20 -0.51 0.00 0.00 0.00 175.76 174.68 1a46 s LEU 105 N -2.00 2.47 -0.06 0.00 1.43 0.69 -1.01 118.68 120.20 1a46 s LEU 105 Ca -0.06 -0.40 0.03 0.00 -1.03 0.00 0.00 54.13 52.68 1a46 s LEU 105 Cb -0.01 -1.46 0.00 0.00 0.03 0.00 0.00 46.19 44.75 1a46 s LEU 105 CO -0.03 0.29 -0.16 -0.04 0.23 0.00 0.00 176.35 176.65 1a46 s MET 106 N -1.06 1.87 -0.23 1.70 -1.94 -0.55 -0.60 119.30 118.49 1a46 s MET 106 Ca 0.12 -0.55 -0.06 0.00 -1.71 0.00 0.00 55.69 53.50 1a46 s MET 106 Cb -0.10 -1.55 -0.02 0.00 2.01 0.00 0.00 34.83 35.16 1a46 s MET 106 CO 0.02 0.14 0.02 -1.59 -0.01 0.00 0.00 175.02 173.60 1a46 s LYS 107 N 0.35 3.57 0.57 2.03 -2.85 0.50 -1.17 119.74 122.75 1a46 s LYS 107 Ca -0.10 -0.53 -0.19 0.00 -1.00 0.00 0.00 55.97 54.15 1a46 s LYS 107 Cb -0.14 -3.16 -0.05 0.00 -2.06 0.00 0.00 37.83 32.42 1a46 s LYS 107 CO 0.04 -0.12 1.17 -0.51 0.10 0.00 0.00 175.35 176.03 1a46 s LEU 108 N 1.36 3.71 0.32 2.77 1.43 0.66 -0.06 118.68 128.87 1a46 s LEU 108 Ca 0.05 2.30 -0.00 0.00 -1.03 0.00 0.00 54.13 55.44 1a46 s LEU 108 Cb -0.15 -4.58 0.51 0.00 0.03 0.00 0.00 46.19 42.00 1a46 s LEU 108 CO 0.01 -1.42 1.96 0.50 0.23 0.00 0.00 176.35 177.64 1a46 h LYS 109 N 1.05 0.95 -3.54 1.70 1.63 -0.52 -3.41 116.57 114.44 1a46 h LYS 109 Ca -0.50 -0.08 -0.20 0.00 -0.85 0.00 0.00 60.65 59.02 1a46 h LYS 109 Cb 1.28 -0.20 -0.26 0.00 -0.60 0.00 0.00 32.23 32.44 1a46 h LYS 109 CO 0.56 0.66 -0.61 0.21 -3.45 0.00 0.00 179.45 176.82 1a46 s LYS 110 N -5.74 0.14 0.50 1.90 2.20 -1.26 -4.97 119.74 112.51 1a46 s LYS 110 Ca -0.11 0.05 -0.23 0.00 -0.36 0.00 0.00 55.97 55.33 1a46 s LYS 110 Cb 0.17 0.06 -0.07 0.00 -1.51 0.00 0.00 37.83 36.49 1a46 s LYS 110 CO 0.78 -0.02 1.22 -2.30 -0.36 0.00 0.00 175.35 174.67 1a46 n PRO 111 N 2.85 1.60 -3.76 4.03 -0.02 -1.26 -4.89 135.00 133.54 1a46 n PRO 111 Ca -0.14 0.58 -0.27 0.00 -2.02 0.00 0.00 63.50 61.65 1a46 n PRO 111 Cb 0.59 -2.38 -0.03 0.00 -0.02 0.00 0.00 33.50 31.66 1a46 n PRO 111 CO 0.00 0.00 0.00 0.54 1.98 0.00 0.00 175.50 178.02 1a46 s VAL 112 N -1.30 5.24 -0.15 -1.45 0.11 0.64 -5.00 120.40 118.50 1a46 s VAL 112 Ca 0.68 -0.43 -0.07 0.00 -2.93 0.00 0.00 61.98 59.22 1a46 s VAL 112 Cb -0.46 -3.73 -0.04 0.00 -1.53 0.00 0.00 36.38 30.62 1a46 s VAL 112 CO 0.53 -0.14 0.11 0.00 -3.33 0.00 0.00 175.10 172.27 1a46 s ALA 113 N -1.82 3.66 0.72 1.54 0.00 -1.26 -4.83 121.76 119.77 1a46 s ALA 113 Ca 0.37 -0.69 -0.12 0.00 0.00 0.00 0.00 51.96 51.52 1a46 s ALA 113 Cb -0.11 -1.95 0.03 0.00 0.00 0.00 0.00 23.12 21.08 1a46 s ALA 113 CO 0.29 0.41 1.09 -0.06 0.00 0.00 0.00 175.76 177.49 1a46 s PHE 114 N -0.37 2.68 0.16 0.00 0.08 -1.26 -4.93 117.98 114.34 1a46 s PHE 114 Ca 0.11 1.54 -0.10 0.00 0.12 0.00 0.00 56.93 58.59 1a46 s PHE 114 Cb -0.12 -3.06 0.04 0.00 -0.57 0.00 0.00 43.02 39.31 1a46 s PHE 114 CO 0.01 -1.66 0.50 -1.13 -0.10 0.00 0.00 175.22 172.85 1a46 n SER 115 N -3.07 -1.12 0.23 1.36 3.41 -0.44 -4.97 113.62 109.03 1a46 n SER 115 Ca 0.09 -1.70 0.06 0.00 -0.26 0.00 0.00 58.87 57.07 1a46 n SER 115 Cb 0.53 1.85 0.54 0.00 -0.26 0.00 0.00 64.21 66.87 1a46 n SER 115 CO 0.00 0.00 0.00 0.44 -0.16 0.00 0.00 175.04 175.32 1a46 h ASP 116 N 1.09 0.00 -0.00 4.04 3.32 -1.99 -3.17 116.42 119.70 1a46 h ASP 116 Ca -0.17 0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.88 1a46 h ASP 116 Cb 0.68 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.23 1a46 h ASP 116 CO 0.22 0.13 -0.89 -1.22 -1.72 0.00 0.00 179.24 175.76 1a46 n TYR 117 N -4.37 0.00 -3.94 4.55 4.01 -1.26 -4.80 117.16 111.34 1a46 n TYR 117 Ca -0.03 0.00 -0.29 0.00 -0.16 0.00 0.00 57.90 57.42 1a46 n TYR 117 Cb 0.20 0.00 -0.16 0.00 -0.31 0.00 0.00 39.34 39.07 1a46 n TYR 117 CO 0.00 0.00 0.00 0.42 -0.46 0.00 0.00 176.86 176.82 1a46 s ILE 118 N -2.88 1.39 -0.21 -0.72 1.01 -1.20 -4.31 121.20 114.27 1a46 s ILE 118 Ca 0.10 -0.84 -0.27 0.00 0.00 0.00 0.00 60.65 59.64 1a46 s ILE 118 Cb 0.16 -1.52 0.10 0.00 0.01 0.00 0.00 42.46 41.21 1a46 s ILE 118 CO 0.81 0.14 0.86 -2.28 0.00 0.00 0.00 174.94 174.47 1a46 s HIS 119 N 1.51 -0.59 0.63 3.97 2.46 -0.93 -1.32 115.29 121.01 1a46 s HIS 119 Ca -0.00 1.31 -0.12 0.00 0.47 0.00 0.00 55.06 56.72 1a46 s HIS 119 Cb -0.16 0.36 -0.03 0.00 -0.13 0.00 0.00 32.58 32.62 1a46 s HIS 119 CO -0.08 -0.37 1.04 -1.25 -2.47 0.00 0.00 174.74 171.61 1a46 s PRO 120 N -0.21 3.38 0.26 2.88 0.04 -1.26 -2.47 135.00 137.62 1a46 s PRO 120 Ca -0.01 0.88 0.02 0.00 0.04 0.00 0.00 61.00 61.93 1a46 s PRO 120 Cb -0.03 -2.05 -0.03 0.00 0.04 0.00 0.00 34.50 32.42 1a46 s PRO 120 CO 0.00 -0.74 0.42 0.54 0.04 0.00 0.00 177.00 177.26 1a46 s VAL 121 N -3.02 5.21 0.51 -0.36 0.11 -0.68 -4.88 120.40 117.29 1a46 s VAL 121 Ca 0.57 -0.67 -0.06 0.00 -2.93 0.00 0.00 61.98 58.89 1a46 s VAL 121 Cb -0.12 -3.82 -0.03 0.00 -1.53 0.00 0.00 36.38 30.88 1a46 s VAL 121 CO 0.51 -0.34 0.82 0.00 -3.33 0.00 0.00 175.10 172.75 1a46 s LEU 123 N -4.81 3.43 0.64 0.00 1.43 -1.26 -1.07 118.68 117.05 1a46 s LEU 123 Ca 0.49 0.08 -0.16 0.00 -1.03 0.00 0.00 54.13 53.50 1a46 s LEU 123 Cb -0.10 -1.77 -0.01 0.00 0.03 0.00 0.00 46.19 44.33 1a46 s LEU 123 CO 0.45 0.37 1.15 -2.16 0.23 0.00 0.00 176.35 176.39 1a46 s PRO 124 N -0.81 2.78 0.31 1.29 0.04 -1.26 -4.95 135.00 132.41 1a46 s PRO 124 Ca 0.12 1.59 0.07 0.00 0.04 0.00 0.00 61.00 62.83 1a46 s PRO 124 Cb -0.11 -1.93 -0.03 0.00 0.04 0.00 0.00 34.50 32.47 1a46 s PRO 124 CO 0.02 -1.30 0.31 0.16 0.04 0.00 0.00 177.00 176.22 1a46 s ASP 125 N -2.13 5.50 0.47 6.66 -4.77 -1.26 -4.92 116.67 116.22 1a46 s ASP 125 Ca 0.72 -0.37 0.24 0.00 -3.30 0.00 0.00 52.55 49.84 1a46 s ASP 125 Cb -0.25 -1.15 1.27 0.00 -1.09 0.00 0.00 42.92 41.70 1a46 s ASP 125 CO 0.38 -0.29 1.84 -0.09 0.70 0.00 0.00 175.17 177.72 1a46 h ARG 126 N 1.24 0.22 0.00 2.11 2.43 -1.98 -2.31 114.38 116.09 1a46 h ARG 126 Ca -0.46 -0.01 -0.21 0.00 -0.81 0.00 0.00 59.98 58.49 1a46 h ARG 126 Cb 1.25 -0.05 -0.04 0.00 -0.42 0.00 0.00 29.97 30.71 1a46 h ARG 126 CO 0.58 0.15 -1.61 -0.85 -1.51 0.00 0.00 179.97 176.73 1a46 n GLU 127 N -4.42 0.63 0.00 0.20 0.00 -1.26 -2.27 120.64 113.52 1a46 n GLU 127 Ca 0.21 0.20 0.00 0.00 0.00 0.00 0.00 57.16 57.57 1a46 n GLU 127 Cb 0.88 -1.76 0.00 0.00 0.00 0.00 0.00 31.44 30.56 1a46 n GLU 127 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 177.13 179.54 1a46 n THR 128 N -2.88 0.16 0.00 3.84 -1.04 -0.87 -1.42 114.28 112.07 1a46 n THR 128 Ca -0.13 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 61.88 1a46 n THR 128 Cb 0.91 -0.40 0.00 0.00 -1.82 0.00 0.00 70.33 69.02 1a46 n THR 128 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1a46 n ALA 129 N 0.43 0.00 0.12 2.41 0.00 -0.96 -1.71 120.51 120.81 1a46 n ALA 129 Ca 0.00 0.00 0.01 0.00 0.00 0.00 0.00 53.44 53.45 1a46 n ALA 129 Cb 0.15 0.00 -0.00 0.00 0.00 0.00 0.00 19.45 19.60 1a46 n ALA 129 CO 0.00 0.00 0.00 0.77 0.00 0.00 0.00 177.50 178.27 1a46 h SER 129 N 0.00 0.00 0.07 0.00 0.02 -1.54 -3.39 113.55 108.71 1a46 h SER 129 Ca 0.00 0.00 -0.37 0.00 -0.84 0.00 0.00 61.79 60.58 1a46 h SER 129 Cb 0.00 0.00 -0.05 0.00 0.14 0.00 0.00 62.40 62.49 1a46 h SER 129 CO 0.00 0.60 -2.28 0.18 -1.14 0.00 0.00 176.83 174.20 1a46 n LEU 129 N -3.25 2.41 -3.98 5.07 4.77 -0.70 -4.69 117.00 116.64 1a46 n LEU 129 Ca 0.02 0.02 -0.39 0.00 -0.03 0.00 0.00 56.01 55.62 1a46 n LEU 129 Cb 0.78 -0.75 -0.05 0.00 -2.33 0.00 0.00 43.42 41.07 1a46 n LEU 129 CO 0.42 0.83 2.01 0.18 -1.33 0.00 0.00 177.39 179.49 1a46 n LEU 130 N -3.26 4.22 -4.08 2.23 7.99 -1.26 -4.83 117.00 118.01 1a46 n LEU 130 Ca -0.38 -3.21 -0.22 0.00 -0.01 0.00 0.00 56.01 52.19 1a46 n LEU 130 Cb 1.03 -1.41 -0.15 0.00 -0.11 0.00 0.00 43.42 42.78 1a46 n LEU 130 CO 0.34 -0.55 -0.46 -1.10 -1.51 0.00 0.00 177.39 174.11 1a46 s GLN 131 N 5.12 1.16 0.23 3.23 -0.21 -1.26 -4.95 119.66 122.97 1a46 s GLN 131 Ca 0.59 -0.45 -0.31 0.00 0.02 0.00 0.00 55.36 55.20 1a46 s GLN 131 Cb 0.09 -1.09 -0.14 0.00 1.00 0.00 0.00 33.01 32.88 1a46 s GLN 131 CO 0.10 0.23 1.34 0.00 -2.12 0.00 0.00 175.29 174.84 1a46 n ALA 132 N 2.97 0.65 0.00 6.09 0.00 -1.26 -0.63 120.51 128.33 1a46 n ALA 132 Ca -0.16 0.42 0.00 0.00 0.00 0.00 0.00 53.44 53.70 1a46 n ALA 132 Cb 0.55 -2.21 0.00 0.00 0.00 0.00 0.00 19.45 17.78 1a46 n ALA 132 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1a46 n GLY 133 N 2.10 2.93 3.80 0.00 0.00 0.04 -4.95 105.19 109.10 1a46 n GLY 133 Ca 0.12 -0.01 -0.34 0.00 0.00 0.00 0.00 46.02 45.80 1a46 n GLY 133 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1a46 s TYR 134 N -2.55 3.02 -0.00 1.61 1.51 0.20 -4.63 117.35 116.51 1a46 s TYR 134 Ca 0.00 1.58 -0.01 0.00 -1.01 0.00 0.00 57.07 57.63 1a46 s TYR 134 Cb 0.00 -3.06 -0.04 0.00 -0.11 0.00 0.00 41.96 38.75 1a46 s TYR 134 CO 0.00 -0.80 0.12 0.15 -1.11 0.00 0.00 175.55 173.91 1a46 s LYS 135 N -3.20 3.18 0.47 -0.62 1.02 -1.26 -0.50 119.74 118.83 1a46 s LYS 135 Ca 0.67 -0.44 0.02 0.00 0.02 0.00 0.00 55.97 56.24 1a46 s LYS 135 Cb -0.16 -2.93 -0.03 0.00 -0.52 0.00 0.00 37.83 34.19 1a46 s LYS 135 CO 0.20 0.65 0.02 0.20 -0.92 0.00 0.00 175.35 175.50 1a46 s GLY 136 N -1.85 2.86 -0.03 -3.33 0.00 -0.84 -4.88 107.32 99.25 1a46 s GLY 136 Ca 0.25 -0.84 0.04 0.00 0.00 0.00 0.00 44.72 44.17 1a46 s GLY 136 CO 0.16 -2.12 -0.13 -1.60 0.00 0.00 0.00 173.10 169.41 1a46 s ARG 137 N -3.83 1.34 0.06 2.90 3.52 0.66 -1.59 118.95 122.01 1a46 s ARG 137 Ca 0.14 -0.47 0.08 0.00 -0.13 0.00 0.00 55.73 55.35 1a46 s ARG 137 Cb 0.03 -1.21 -0.03 0.00 -1.56 0.00 0.00 34.95 32.18 1a46 s ARG 137 CO 0.07 0.20 -0.19 0.08 -0.81 0.00 0.00 175.30 174.65 1a46 s VAL 138 N 0.04 2.71 0.08 7.11 1.01 -0.47 -0.17 120.40 130.72 1a46 s VAL 138 Ca -0.02 -1.30 0.02 0.00 0.00 0.00 0.00 61.98 60.68 1a46 s VAL 138 Cb -0.09 -2.16 -0.04 0.00 0.00 0.00 0.00 36.38 34.09 1a46 s VAL 138 CO 0.01 0.28 -0.07 0.42 0.00 0.00 0.00 175.10 175.74 1a46 s THR 139 N -0.96 0.67 0.00 3.92 -4.23 -1.24 -2.46 115.64 111.34 1a46 s THR 139 Ca 0.15 -1.71 0.00 0.00 -1.18 0.00 0.00 61.69 58.95 1a46 s THR 139 Cb -0.10 -1.41 0.00 0.00 1.34 0.00 0.00 72.50 72.33 1a46 s THR 139 CO 0.06 -0.74 0.00 0.61 -0.54 0.00 0.00 174.62 174.01 1a46 n GLY 140 N 0.35 1.43 2.00 3.99 0.00 -1.08 -4.58 105.19 107.31 1a46 n GLY 140 Ca -0.15 -0.93 -0.08 0.00 0.00 0.00 0.00 46.02 44.86 1a46 n GLY 140 CO 0.00 0.00 0.00 0.79 0.00 0.00 0.00 173.32 174.11 1a46 n TRP 141 N -0.54 2.46 -1.92 1.61 8.01 -1.26 -2.53 117.44 123.27 1a46 n TRP 141 Ca 0.00 -1.23 -0.29 0.00 -1.31 0.00 0.00 57.50 54.66 1a46 n TRP 141 Cb 0.00 -0.70 0.12 0.00 -2.01 0.00 0.00 31.31 28.72 1a46 n TRP 141 CO 0.00 0.00 0.00 0.20 -1.01 0.00 0.00 177.69 176.88 1a46 s GLY 142 N -0.96 1.65 0.42 6.99 0.00 -1.26 -4.62 107.32 109.55 1a46 s GLY 142 Ca 0.53 -0.83 -0.24 0.00 0.00 0.00 0.00 44.72 44.18 1a46 s GLY 142 CO 0.13 -0.26 0.87 0.70 0.00 0.00 0.00 173.10 174.54 1a46 n ASN 143 N -3.45 0.61 0.04 1.64 3.02 -0.85 -3.28 115.26 112.99 1a46 n ASN 143 Ca 0.10 0.99 0.13 0.00 -0.03 0.00 0.00 54.58 55.77 1a46 n ASN 143 Cb 0.60 -1.28 0.33 0.00 -0.61 0.00 0.00 39.78 38.82 1a46 n ASN 143 CO 0.00 0.00 0.00 0.18 -2.62 0.00 0.00 177.26 174.82 1a46 n LEU 144 N 0.68 0.54 -3.49 3.41 4.77 0.84 -0.71 117.00 123.04 1a46 n LEU 144 Ca 0.10 0.31 -0.15 0.00 -0.03 0.00 0.00 56.01 56.24 1a46 n LEU 144 Cb 0.39 -0.29 -0.04 0.00 -2.33 0.00 0.00 43.42 41.15 1a46 n LEU 144 CO 0.56 -0.03 0.47 -1.59 -1.33 0.00 0.00 177.39 175.47 1a46 s LYS 145 N -3.08 1.07 0.00 3.23 -2.85 -1.26 -4.31 119.74 112.54 1a46 s LYS 145 Ca 0.10 -0.00 0.00 0.00 -1.00 0.00 0.00 55.97 55.07 1a46 s LYS 145 Cb 0.15 0.50 0.00 0.00 -2.06 0.00 0.00 37.83 36.42 1a46 s LYS 145 CO 0.65 -0.39 0.00 -1.91 0.10 0.00 0.00 175.35 173.80 1a46 n GLU 146 N 0.44 0.00 0.00 1.78 2.13 -1.26 -4.97 120.64 118.75 1a46 n GLU 146 Ca -0.17 0.00 0.00 0.00 0.66 0.00 0.00 57.16 57.65 1a46 n GLU 146 Cb 0.60 -1.20 0.00 0.00 0.27 0.00 0.00 31.44 31.11 1a46 n GLU 146 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 1a46 n GLY 150 N 0.88 0.03 3.29 8.31 0.00 -1.26 -5.05 105.19 111.39 1a46 n GLY 150 Ca 0.00 -0.01 -0.32 0.00 0.00 0.00 0.00 46.02 45.69 1a46 n GLY 150 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1a46 s GLN 151 N -1.00 2.74 0.84 1.61 -0.21 -1.26 -0.11 119.66 122.26 1a46 s GLN 151 Ca 0.00 -0.85 -0.11 0.00 0.02 0.00 0.00 55.36 54.41 1a46 s GLN 151 Cb 0.00 -2.27 0.09 0.00 1.00 0.00 0.00 33.01 31.84 1a46 s GLN 151 CO 0.00 0.35 1.09 -1.25 -2.12 0.00 0.00 175.29 173.36 1a46 s PRO 152 N -0.07 1.74 0.03 2.91 0.04 -1.26 -4.96 135.00 133.44 1a46 s PRO 152 Ca -0.06 0.78 0.21 0.00 0.04 0.00 0.00 61.00 61.97 1a46 s PRO 152 Cb -0.14 -1.87 -0.20 0.00 0.04 0.00 0.00 34.50 32.33 1a46 s PRO 152 CO 0.05 -1.89 0.65 -1.13 0.04 0.00 0.00 177.00 174.71 1a46 n SER 153 N -3.64 0.37 -4.39 6.66 3.41 -1.26 -4.74 113.62 110.03 1a46 n SER 153 Ca 0.07 0.15 -0.20 0.00 -0.26 0.00 0.00 58.87 58.64 1a46 n SER 153 Cb 0.55 1.16 -0.10 0.00 -0.26 0.00 0.00 64.21 65.56 1a46 n SER 153 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 175.04 175.42 1a46 s VAL 154 N -3.27 1.29 0.25 -3.33 0.11 -1.26 -0.36 120.40 113.83 1a46 s VAL 154 Ca -0.05 -2.06 -0.31 0.00 -2.93 0.00 0.00 61.98 56.63 1a46 s VAL 154 Cb 0.11 -2.48 -0.14 0.00 -1.53 0.00 0.00 36.38 32.34 1a46 s VAL 154 CO 0.85 -0.24 1.34 -0.11 -3.33 0.00 0.00 175.10 173.61 1a46 n LEU 155 N -0.54 2.91 -4.88 2.54 7.94 -0.61 -4.84 117.00 119.52 1a46 n LEU 155 Ca -0.05 1.15 -0.21 0.00 -1.11 0.00 0.00 56.01 55.80 1a46 n LEU 155 Cb 0.64 -1.40 -0.03 0.00 0.53 0.00 0.00 43.42 43.16 1a46 n LEU 155 CO 0.39 -0.64 -0.02 -1.10 -1.11 0.00 0.00 177.39 174.91 1a46 s GLN 156 N -0.68 2.64 -0.01 1.96 -1.52 -1.05 -1.03 119.66 119.97 1a46 s GLN 156 Ca 0.66 -1.41 -0.06 0.00 -1.95 0.00 0.00 55.36 52.61 1a46 s GLN 156 Cb -0.66 -2.45 0.00 0.00 -0.22 0.00 0.00 33.01 29.68 1a46 s GLN 156 CO 0.52 -0.08 0.11 0.08 -0.25 0.00 0.00 175.29 175.68 1a46 s VAL 157 N -2.39 0.07 -0.04 1.09 1.01 0.16 -2.62 120.40 117.68 1a46 s VAL 157 Ca 0.46 -0.57 -0.12 0.00 0.00 0.00 0.00 61.98 61.75 1a46 s VAL 157 Cb -0.05 -0.35 0.02 0.00 0.00 0.00 0.00 36.38 36.00 1a46 s VAL 157 CO 0.28 -0.31 0.27 0.54 0.00 0.00 0.00 175.10 175.87 1a46 s VAL 158 N -1.07 0.05 -0.20 2.92 0.11 -1.03 -0.60 120.40 120.58 1a46 s VAL 158 Ca -0.12 -0.38 -0.07 0.00 -2.93 0.00 0.00 61.98 58.48 1a46 s VAL 158 Cb -0.06 -0.51 -0.04 0.00 -1.53 0.00 0.00 36.38 34.23 1a46 s VAL 158 CO 0.01 -0.21 0.07 0.20 -3.33 0.00 0.00 175.10 171.83 1a46 s ASN 159 N -0.91 5.51 0.08 3.54 0.01 -1.26 -1.37 114.94 120.54 1a46 s ASN 159 Ca -0.10 0.01 0.04 0.00 -0.71 0.00 0.00 52.86 52.10 1a46 s ASN 159 Cb -0.05 -1.95 -0.03 0.00 0.41 0.00 0.00 41.25 39.63 1a46 s ASN 159 CO 0.03 0.12 -0.12 -0.76 -1.51 0.00 0.00 177.10 174.86 1a46 s LEU 160 N 0.68 2.33 0.26 0.60 1.43 -0.62 -4.94 118.68 118.42 1a46 s LEU 160 Ca 0.03 -0.68 -0.16 0.00 -1.03 0.00 0.00 54.13 52.29 1a46 s LEU 160 Cb -0.13 -0.38 -0.08 0.00 0.03 0.00 0.00 46.19 45.63 1a46 s LEU 160 CO 0.02 -0.17 0.69 -2.16 0.23 0.00 0.00 176.35 174.96 1a46 s PRO 161 N -2.13 4.05 0.44 1.29 0.04 -1.26 -1.99 135.00 135.43 1a46 s PRO 161 Ca -0.00 0.66 -0.23 0.00 0.04 0.00 0.00 61.00 61.47 1a46 s PRO 161 Cb -0.07 -2.64 -0.08 0.00 0.04 0.00 0.00 34.50 31.75 1a46 s PRO 161 CO 0.01 0.28 1.09 0.42 0.04 0.00 0.00 177.00 178.84 1a46 s ILE 162 N -1.78 3.49 0.05 0.56 1.01 0.34 -1.75 121.20 123.12 1a46 s ILE 162 Ca 0.48 1.09 0.07 0.00 0.00 0.00 0.00 60.65 62.29 1a46 s ILE 162 Cb -0.13 -3.54 -0.03 0.00 0.01 0.00 0.00 42.46 38.77 1a46 s ILE 162 CO 0.19 -0.04 -0.15 -0.69 0.00 0.00 0.00 174.94 174.26 1a46 s VAL 163 N -1.66 3.03 0.51 2.92 1.01 -1.01 -0.78 120.40 124.42 1a46 s VAL 163 Ca 0.62 -1.15 -0.23 0.00 0.00 0.00 0.00 61.98 61.21 1a46 s VAL 163 Cb -0.24 -2.32 -0.06 0.00 0.00 0.00 0.00 36.38 33.76 1a46 s VAL 163 CO 0.29 0.29 1.37 -1.61 0.00 0.00 0.00 175.10 175.44 1a46 s GLU 164 N -1.61 3.37 0.26 2.72 8.01 -1.26 -4.62 118.70 125.57 1a46 s GLU 164 Ca 0.16 2.27 -0.01 0.00 0.01 0.00 0.00 54.97 57.40 1a46 s GLU 164 Cb -0.11 -2.41 0.54 0.00 -4.31 0.00 0.00 34.13 27.85 1a46 s GLU 164 CO 0.07 -1.02 1.74 -0.09 0.01 0.00 0.00 175.26 175.97 1a46 h ARG 165 N 1.80 0.50 0.13 1.61 2.43 -1.99 -1.80 114.38 117.06 1a46 h ARG 165 Ca -0.51 -0.03 -0.01 0.00 -0.81 0.00 0.00 59.98 58.63 1a46 h ARG 165 Cb 1.28 -0.11 0.00 0.00 -0.42 0.00 0.00 29.97 30.72 1a46 h ARG 165 CO 0.59 0.33 -0.06 -1.35 -1.51 0.00 0.00 179.97 177.96 1a46 h PRO 166 N 0.51 -0.17 -0.92 0.20 0.11 -1.99 -0.12 132.00 129.62 1a46 h PRO 166 Ca 0.46 0.01 0.08 0.00 0.11 0.00 0.00 66.00 66.67 1a46 h PRO 166 Cb 0.73 0.04 -0.07 0.00 0.11 0.00 0.00 31.00 31.81 1a46 h PRO 166 CO -0.41 -0.06 0.57 0.28 -0.21 0.00 0.00 178.00 178.17 1a46 h VAL 167 N -0.24 1.01 0.53 3.15 2.07 -1.81 -1.82 116.25 119.14 1a46 h VAL 167 Ca -0.02 -0.34 -0.02 0.00 0.82 0.00 0.00 66.70 67.13 1a46 h VAL 167 Cb 0.19 -0.08 0.00 0.00 -1.52 0.00 0.00 31.29 29.88 1a46 h VAL 167 CO 0.03 0.18 -0.28 0.00 0.02 0.00 0.00 177.57 177.53 1a46 h LYS 169 N -0.75 0.71 0.00 0.00 1.57 -0.83 -2.92 116.57 114.36 1a46 h LYS 169 Ca -0.07 -0.09 0.00 0.00 -1.87 0.00 0.00 60.65 58.62 1a46 h LYS 169 Cb 0.58 -0.14 0.00 0.00 0.08 0.00 0.00 32.23 32.76 1a46 h LYS 169 CO 0.10 0.57 0.00 -0.25 -0.57 0.00 0.00 179.45 179.30 1a46 n ASP 170 N -4.37 0.00 -0.38 0.86 8.00 -0.70 -3.07 116.55 116.89 1a46 n ASP 170 Ca 0.04 -0.98 0.09 0.00 0.71 0.00 0.00 54.79 54.65 1a46 n ASP 170 Cb 0.14 0.00 -0.01 0.00 -0.02 0.00 0.00 41.12 41.23 1a46 n ASP 170 CO 0.00 0.00 0.00 -1.54 -0.39 0.00 0.00 177.20 175.27 1a46 n SER 171 N -0.92 1.70 -4.00 -2.24 3.41 -1.10 -5.01 113.62 105.45 1a46 n SER 171 Ca 0.17 -1.35 -0.10 0.00 -0.26 0.00 0.00 58.87 57.33 1a46 n SER 171 Cb 0.08 0.50 -0.07 0.00 -0.26 0.00 0.00 64.21 64.47 1a46 n SER 171 CO 0.00 0.00 0.00 0.28 -0.16 0.00 0.00 175.04 175.16 1a46 s THR 172 N -2.12 0.00 -0.35 6.66 -1.32 -1.17 -4.86 115.64 112.48 1a46 s THR 172 Ca 0.14 -1.61 0.23 0.00 -1.21 0.00 0.00 61.69 59.24 1a46 s THR 172 Cb 0.15 -2.33 -0.14 0.00 -1.51 0.00 0.00 72.50 68.67 1a46 s THR 172 CO 0.47 0.00 0.89 0.54 -2.21 0.00 0.00 174.62 174.32 1a46 n ARG 173 N -0.36 0.48 -2.03 7.08 1.74 -1.26 -4.95 116.66 117.35 1a46 n ARG 173 Ca -0.00 -0.01 -0.39 0.00 -0.77 0.00 0.00 57.85 56.67 1a46 n ARG 173 Cb 0.63 -1.65 -0.00 0.00 -1.02 0.00 0.00 32.46 30.42 1a46 n ARG 173 CO 0.00 0.00 0.00 0.42 -1.52 0.00 0.00 177.63 176.53 1a46 s ILE 174 N -3.33 2.57 -0.26 0.55 -1.09 -1.26 -5.00 121.20 113.39 1a46 s ILE 174 Ca -0.01 0.51 -0.29 0.00 -2.23 0.00 0.00 60.65 58.63 1a46 s ILE 174 Cb 0.13 -3.30 0.01 0.00 -1.58 0.00 0.00 42.46 37.72 1a46 s ILE 174 CO 0.83 0.07 1.15 -0.60 -1.23 0.00 0.00 174.94 175.15 1a46 s ARG 175 N -2.29 4.13 0.11 2.79 3.52 -1.26 -5.02 118.95 120.93 1a46 s ARG 175 Ca 0.58 1.32 -0.25 0.00 -0.13 0.00 0.00 55.73 57.25 1a46 s ARG 175 Cb -0.38 -3.74 -0.07 0.00 -1.56 0.00 0.00 34.95 29.20 1a46 s ARG 175 CO 0.49 -0.82 0.75 0.42 -0.81 0.00 0.00 175.30 175.33 1a46 s ILE 176 N 3.62 4.53 0.45 4.11 -1.09 -1.26 -4.88 121.20 126.68 1a46 s ILE 176 Ca 0.49 1.63 0.06 0.00 -2.23 0.00 0.00 60.65 60.61 1a46 s ILE 176 Cb -0.16 -4.11 -0.03 0.00 -1.58 0.00 0.00 42.46 36.58 1a46 s ILE 176 CO 0.14 0.47 0.20 0.42 -1.23 0.00 0.00 174.94 174.94 1a46 s THR 177 N -0.74 2.08 0.48 2.92 -4.23 -1.26 -5.02 115.64 109.87 1a46 s THR 177 Ca 0.36 -1.69 0.40 0.00 -1.18 0.00 0.00 61.69 59.58 1a46 s THR 177 Cb -0.22 -2.77 0.42 0.00 1.34 0.00 0.00 72.50 71.27 1a46 s THR 177 CO 0.24 0.00 2.24 0.44 -0.54 0.00 0.00 174.62 177.00 1a46 h ASP 178 N 1.30 0.00 0.00 3.99 3.32 -2.04 -2.72 116.42 120.27 1a46 h ASP 178 Ca -0.42 0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.63 1a46 h ASP 178 Cb 1.27 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.82 1a46 h ASP 178 CO 0.68 0.01 0.00 0.59 -1.72 0.00 0.00 179.24 178.80 1a46 n ASN 179 N -3.15 0.07 -4.19 6.45 3.02 -1.26 -4.86 115.26 111.35 1a46 n ASN 179 Ca -0.02 -1.82 -0.11 0.00 -0.03 0.00 0.00 54.58 52.60 1a46 n ASN 179 Cb 0.15 -0.04 -0.10 0.00 -0.61 0.00 0.00 39.78 39.19 1a46 n ASN 179 CO 0.00 0.00 0.00 -0.04 -2.62 0.00 0.00 177.26 174.60 1a46 s MET 180 N -1.92 0.90 0.05 3.52 -1.94 -1.03 -1.30 119.30 117.57 1a46 s MET 180 Ca 0.00 -1.38 -0.06 0.00 -1.71 0.00 0.00 55.69 52.54 1a46 s MET 180 Cb 0.00 -0.24 -0.01 0.00 2.01 0.00 0.00 34.83 36.59 1a46 s MET 180 CO 0.00 -0.03 0.11 -0.59 -0.01 0.00 0.00 175.02 174.50 1a46 s PHE 181 N -3.61 0.21 0.14 -0.03 -0.12 -0.77 -4.81 117.98 108.98 1a46 s PHE 181 Ca 0.14 -0.54 0.11 0.00 -0.05 0.00 0.00 56.93 56.59 1a46 s PHE 181 Cb 0.05 -0.14 -0.04 0.00 -0.63 0.00 0.00 43.02 42.26 1a46 s PHE 181 CO -0.03 -0.40 -0.26 0.00 -0.05 0.00 0.00 175.22 174.49 1a46 s ALA 183 N -1.21 0.07 0.00 0.00 0.00 0.47 -2.40 121.76 118.69 1a46 s ALA 183 Ca 0.15 -0.66 0.00 0.00 0.00 0.00 0.00 51.96 51.45 1a46 s ALA 183 Cb -0.09 0.23 0.00 0.00 0.00 0.00 0.00 23.12 23.25 1a46 s ALA 183 CO 0.07 -0.29 0.00 0.41 0.00 0.00 0.00 175.76 175.95 1a46 n GLY 184 N 0.87 3.79 3.88 0.00 0.00 -0.72 -1.75 105.19 111.26 1a46 n GLY 184 Ca -0.19 -1.43 -0.30 0.00 0.00 0.00 0.00 46.02 44.10 1a46 n GLY 184 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1a46 s TYR 184 N -2.00 3.51 0.44 1.61 2.02 -1.26 -4.47 117.35 117.20 1a46 s TYR 184 Ca 0.00 1.18 -0.17 0.00 -0.37 0.00 0.00 57.07 57.71 1a46 s TYR 184 Cb 0.00 -2.83 -0.09 0.00 -0.40 0.00 0.00 41.96 38.64 1a46 s TYR 184 CO 0.00 -0.85 0.91 0.15 -1.57 0.00 0.00 175.55 174.19 1a46 s LYS 185 N -5.22 4.03 0.53 -0.62 -0.14 -1.26 -4.82 119.74 112.23 1a46 s LYS 185 Ca 0.56 0.90 0.26 0.00 -1.36 0.00 0.00 55.97 56.33 1a46 s LYS 185 Cb -0.11 -2.23 1.40 0.00 -1.68 0.00 0.00 37.83 35.21 1a46 s LYS 185 CO 0.53 -0.09 1.98 -1.00 -0.76 0.00 0.00 175.35 176.00 1a46 h PRO 186 N 1.50 0.01 0.84 -1.68 0.13 -1.95 0.43 132.00 131.28 1a46 h PRO 186 Ca -0.48 -0.00 -0.04 0.00 -0.87 0.00 0.00 66.00 64.61 1a46 h PRO 186 Cb 1.18 -0.00 0.01 0.00 0.13 0.00 0.00 31.00 32.32 1a46 h PRO 186 CO 0.62 0.00 -0.40 0.22 -0.23 0.00 0.00 178.00 178.21 1a46 h ASP 186 N 0.01 -0.96 0.00 1.44 3.58 -1.95 -3.26 116.42 115.28 1a46 h ASP 186 Ca 0.28 0.02 0.00 0.00 0.42 0.00 0.00 57.03 57.75 1a46 h ASP 186 Cb 1.11 0.25 0.00 0.00 1.72 0.00 0.00 39.33 42.41 1a46 h ASP 186 CO -0.00 -0.64 0.12 -0.62 -2.88 0.00 0.00 179.24 175.21 1a46 n GLU 186 N -5.55 0.09 -2.63 0.28 1.02 0.14 -4.81 120.64 109.17 1a46 n GLU 186 Ca -0.15 0.56 -0.16 0.00 -0.02 0.00 0.00 57.16 57.39 1a46 n GLU 186 Cb 0.45 -1.91 -0.00 0.00 -0.02 0.00 0.00 31.44 29.96 1a46 n GLU 186 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1a46 n GLY 186 N -1.32 -0.50 3.17 0.62 0.00 -1.23 -4.97 105.19 100.97 1a46 n GLY 186 Ca -0.01 0.02 -0.20 0.00 0.00 0.00 0.00 46.02 45.84 1a46 n GLY 186 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1a46 s LYS 186 N -5.24 0.92 0.34 1.61 -2.85 -1.26 -5.18 119.74 108.07 1a46 s LYS 186 Ca 0.09 -0.89 0.01 0.00 -1.00 0.00 0.00 55.97 54.18 1a46 s LYS 186 Cb -0.04 -0.96 -0.00 0.00 -2.06 0.00 0.00 37.83 34.77 1a46 s LYS 186 CO 0.11 0.23 0.02 0.54 0.10 0.00 0.00 175.35 176.35 1a46 n ARG 187 N 1.56 1.05 0.00 1.78 1.74 -1.26 -4.70 116.66 116.82 1a46 n ARG 187 Ca -0.19 -2.55 0.00 0.00 -0.77 0.00 0.00 57.85 54.34 1a46 n ARG 187 Cb 0.54 0.82 0.00 0.00 -1.02 0.00 0.00 32.46 32.80 1a46 n ARG 187 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1a46 n GLY 188 N 0.64 4.07 3.67 -0.13 0.00 -1.25 -4.94 105.19 107.25 1a46 n GLY 188 Ca -0.13 -1.58 0.01 0.00 0.00 0.00 0.00 46.02 44.32 1a46 n GLY 188 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1a46 s ASP 189 N 0.00 -0.07 0.68 1.61 2.15 -1.12 -4.73 116.67 115.20 1a46 s ASP 189 Ca 0.00 -0.19 -0.11 0.00 0.43 0.00 0.00 52.55 52.67 1a46 s ASP 189 Cb 0.00 0.22 0.00 0.00 -0.30 0.00 0.00 42.92 42.84 1a46 s ASP 189 CO 0.00 -0.40 1.08 0.00 -0.17 0.00 0.00 175.17 175.67 1a46 s ALA 190 N -2.51 2.95 0.26 3.66 0.00 -1.26 -1.10 121.76 123.77 1a46 s ALA 190 Ca 0.15 -0.29 -0.16 0.00 0.00 0.00 0.00 51.96 51.66 1a46 s ALA 190 Cb 0.03 -3.03 0.01 0.00 0.00 0.00 0.00 23.12 20.13 1a46 s ALA 190 CO -0.03 -1.02 0.58 0.00 0.00 0.00 0.00 175.76 175.30 1a46 n GLU 192 N -0.41 2.34 0.00 0.00 4.71 -1.26 -1.42 120.64 124.60 1a46 n GLU 192 Ca -0.03 0.84 0.00 0.00 -0.01 0.00 0.00 57.16 57.96 1a46 n GLU 192 Cb 0.61 -2.58 0.00 0.00 -1.01 0.00 0.00 31.44 28.46 1a46 n GLU 192 CO 0.00 0.00 0.00 0.41 0.09 0.00 0.00 177.13 177.63 1a46 n GLY 193 N 2.63 3.13 0.11 0.62 0.00 -1.26 -2.02 105.19 108.41 1a46 n GLY 193 Ca 0.12 0.00 -0.02 0.00 0.00 0.00 0.00 46.02 46.12 1a46 n GLY 193 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 1a46 h ASP 194 N 0.00 0.00 -1.27 1.61 3.32 -1.58 -3.36 116.42 115.14 1a46 h ASP 194 Ca 0.00 0.00 -0.48 0.00 0.02 0.00 0.00 57.03 56.57 1a46 h ASP 194 Cb 0.00 0.00 0.12 0.00 0.22 0.00 0.00 39.33 39.67 1a46 h ASP 194 CO 0.00 0.73 -0.72 -1.20 -1.72 0.00 0.00 179.24 176.33 1a46 n SER 195 N -3.45 -2.17 0.00 6.45 7.64 -1.26 -2.17 113.62 118.66 1a46 n SER 195 Ca 0.00 0.63 0.00 0.00 1.01 0.00 0.00 58.87 60.51 1a46 n SER 195 Cb 0.77 -0.68 0.00 0.00 -1.01 0.00 0.00 64.21 63.29 1a46 n SER 195 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1a46 n GLY 196 N 1.78 1.72 3.72 0.23 0.00 -0.35 -0.54 105.19 111.75 1a46 n GLY 196 Ca 0.09 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.82 1a46 n GLY 196 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1a46 s GLY 197 N -2.00 1.59 0.10 -0.02 0.00 -0.92 -3.21 107.32 102.86 1a46 s GLY 197 Ca 0.00 -0.68 -0.19 0.00 0.00 0.00 0.00 44.72 43.85 1a46 s GLY 197 CO 0.00 0.01 0.59 2.56 0.00 0.00 0.00 173.10 176.26 1a46 s PRO 198 N -5.29 4.19 -0.32 2.90 0.04 -1.26 0.26 135.00 135.51 1a46 s PRO 198 Ca 0.67 0.74 -0.08 0.00 0.04 0.00 0.00 61.00 62.37 1a46 s PRO 198 Cb -0.13 -3.16 0.02 0.00 0.04 0.00 0.00 34.50 31.26 1a46 s PRO 198 CO 0.55 0.59 0.12 0.12 0.04 0.00 0.00 177.00 178.42 1a46 s PHE 199 N -1.20 3.20 0.21 0.56 2.19 0.20 -3.65 117.98 119.49 1a46 s PHE 199 Ca 0.32 -1.05 0.11 0.00 0.33 0.00 0.00 56.93 56.64 1a46 s PHE 199 Cb -0.19 -2.31 -0.05 0.00 -1.31 0.00 0.00 43.02 39.17 1a46 s PHE 199 CO 0.20 -0.62 -0.20 0.14 1.83 0.00 0.00 175.22 176.57 1a46 s VAL 200 N 1.50 2.55 0.09 3.12 -7.23 0.76 -1.75 120.40 119.44 1a46 s VAL 200 Ca 0.02 -2.06 0.05 0.00 -1.81 0.00 0.00 61.98 58.17 1a46 s VAL 200 Cb -0.18 -2.27 -0.03 0.00 0.56 0.00 0.00 36.38 34.46 1a46 s VAL 200 CO 0.04 -0.19 -0.13 -0.04 -0.31 0.00 0.00 175.10 174.46 1a46 s MET 201 N -2.94 0.88 -0.45 4.82 -1.94 -0.57 -0.25 119.30 118.86 1a46 s MET 201 Ca 0.24 -1.07 -0.12 0.00 -1.71 0.00 0.00 55.69 53.03 1a46 s MET 201 Cb -0.07 -0.80 0.08 0.00 2.01 0.00 0.00 34.83 36.05 1a46 s MET 201 CO 0.12 0.16 0.34 0.21 -0.01 0.00 0.00 175.02 175.84 1a46 s LYS 202 N -2.16 2.79 0.13 2.03 2.20 -1.26 0.59 119.74 124.06 1a46 s LYS 202 Ca 0.02 -1.44 -0.34 0.00 -0.36 0.00 0.00 55.97 53.85 1a46 s LYS 202 Cb -0.07 -3.97 -0.14 0.00 -1.51 0.00 0.00 37.83 32.13 1a46 s LYS 202 CO 0.02 -1.02 1.58 0.45 -0.36 0.00 0.00 175.35 176.02 1a46 n SER 203 N 5.06 2.98 0.05 1.43 2.88 0.33 -4.90 113.62 121.46 1a46 n SER 203 Ca -0.11 1.08 0.12 0.00 -1.33 0.00 0.00 58.87 58.63 1a46 n SER 203 Cb 0.43 -1.40 0.48 0.00 -0.75 0.00 0.00 64.21 62.97 1a46 n SER 203 CO 0.00 0.00 0.00 -0.81 -1.23 0.00 0.00 175.04 173.00 1a46 n PRO 204 N 3.58 0.10 -0.07 -1.46 -0.04 -1.26 -1.65 135.00 134.20 1a46 n PRO 204 Ca 0.18 0.17 -0.20 0.00 -0.04 0.00 0.00 63.50 63.60 1a46 n PRO 204 Cb 0.28 -1.64 -0.12 0.00 -0.04 0.00 0.00 33.50 31.97 1a46 n PRO 204 CO 0.00 0.00 0.00 0.74 -0.04 0.00 0.00 175.50 176.20 1a46 h PHE 204 N 0.00 0.09 -0.01 0.54 0.04 -1.97 -3.41 116.94 112.22 1a46 h PHE 204 Ca 0.00 -0.07 0.00 0.00 2.80 0.00 0.00 57.97 60.70 1a46 h PHE 204 Cb 0.50 -0.00 0.00 0.00 2.20 0.00 0.00 35.95 38.65 1a46 h PHE 204 CO 0.00 1.41 0.00 0.27 -0.60 0.00 0.00 178.31 179.39 1a46 n ASN 204 N -4.35 1.32 -0.39 2.17 2.04 -1.25 -5.03 115.26 109.76 1a46 n ASN 204 Ca -0.26 -1.17 -0.05 0.00 -0.44 0.00 0.00 54.58 52.66 1a46 n ASN 204 Cb 0.69 -0.00 -0.02 0.00 -2.53 0.00 0.00 39.78 37.91 1a46 n ASN 204 CO 0.00 0.00 0.00 0.59 -0.44 0.00 0.00 177.26 177.41 1a46 n ASN 205 N 0.20 -4.41 -4.95 0.53 4.13 -0.66 -5.02 115.26 105.09 1a46 n ASN 205 Ca 0.02 0.13 -0.23 0.00 1.68 0.00 0.00 54.58 56.17 1a46 n ASN 205 Cb 0.10 -2.36 -0.02 0.00 -1.54 0.00 0.00 39.78 35.96 1a46 n ASN 205 CO 0.00 0.00 0.00 -0.13 0.28 0.00 0.00 177.26 177.41 1a46 s ARG 206 N -1.92 3.47 -0.15 3.52 0.52 -1.25 -4.83 118.95 118.31 1a46 s ARG 206 Ca 0.00 -0.49 -0.14 0.00 -0.52 0.00 0.00 55.73 54.58 1a46 s ARG 206 Cb 0.00 -2.78 -0.05 0.00 0.52 0.00 0.00 34.95 32.64 1a46 s ARG 206 CO 0.00 0.30 0.30 -1.58 0.02 0.00 0.00 175.30 174.34 1a46 s TRP 207 N -2.11 3.48 0.04 -0.53 0.52 -1.26 -0.51 118.94 118.57 1a46 s TRP 207 Ca 0.37 0.62 0.07 0.00 0.02 0.00 0.00 56.10 57.18 1a46 s TRP 207 Cb -0.10 -2.33 -0.03 0.00 -1.15 0.00 0.00 33.47 29.86 1a46 s TRP 207 CO 0.32 0.27 -0.19 0.71 0.02 0.00 0.00 176.95 178.09 1a46 s TYR 208 N 0.35 2.55 -0.53 -1.98 2.02 0.20 -2.58 117.35 117.37 1a46 s TYR 208 Ca 0.17 -0.26 -0.23 0.00 -0.37 0.00 0.00 57.07 56.37 1a46 s TYR 208 Cb -0.13 -1.46 0.04 0.00 -0.40 0.00 0.00 41.96 40.01 1a46 s TYR 208 CO 0.04 0.24 0.88 -1.14 -1.57 0.00 0.00 175.55 174.01 1a46 s GLN 209 N -1.41 3.32 -0.01 -0.62 0.74 -0.23 -1.51 119.66 119.94 1a46 s GLN 209 Ca 0.14 -0.32 0.11 0.00 0.05 0.00 0.00 55.36 55.34 1a46 s GLN 209 Cb -0.10 -4.04 -0.23 0.00 1.10 0.00 0.00 33.01 29.74 1a46 s GLN 209 CO 0.05 -1.40 0.80 0.52 -0.55 0.00 0.00 175.29 174.71 1a46 h MET 210 N 9.22 0.00 -4.04 1.67 2.86 -1.68 -3.40 114.93 119.57 1a46 h MET 210 Ca -0.26 -0.01 -0.13 0.00 -2.06 0.00 0.00 59.70 57.24 1a46 h MET 210 Cb 1.08 0.00 -0.13 0.00 0.06 0.00 0.00 31.60 32.61 1a46 h MET 210 CO 1.05 0.62 -0.39 0.20 1.06 0.00 0.00 176.91 179.46 1a46 s GLY 211 N -5.02 0.69 -0.06 8.32 0.00 -1.03 -2.34 107.32 107.88 1a46 s GLY 211 Ca -0.03 -1.08 0.06 0.00 0.00 0.00 0.00 44.72 43.66 1a46 s GLY 211 CO 0.82 -0.97 -0.25 -0.42 0.00 0.00 0.00 173.10 172.29 1a46 s ILE 212 N -4.01 2.03 -0.03 0.90 1.01 -1.08 -0.63 121.20 119.38 1a46 s ILE 212 Ca 0.22 -1.05 -0.30 0.00 0.00 0.00 0.00 60.65 59.52 1a46 s ILE 212 Cb 0.04 -1.72 -0.08 0.00 0.01 0.00 0.00 42.46 40.72 1a46 s ILE 212 CO 0.03 0.56 1.98 -0.69 0.00 0.00 0.00 174.94 176.83 1a46 s VAL 213 N -0.14 3.08 0.02 2.92 1.01 0.14 -1.71 120.40 125.71 1a46 s VAL 213 Ca -0.04 0.10 -0.04 0.00 0.00 0.00 0.00 61.98 62.00 1a46 s VAL 213 Cb -0.14 -3.07 -0.01 0.00 0.00 0.00 0.00 36.38 33.16 1a46 s VAL 213 CO 0.04 -0.02 -0.07 -0.24 0.00 0.00 0.00 175.10 174.81 1a46 n SER 214 N 8.39 0.99 -3.83 3.32 2.88 -0.92 -1.21 113.62 123.24 1a46 n SER 214 Ca 0.22 0.14 -0.08 0.00 -1.33 0.00 0.00 58.87 57.81 1a46 n SER 214 Cb 0.42 -0.37 -0.03 0.00 -0.75 0.00 0.00 64.21 63.48 1a46 n SER 214 CO 0.00 0.00 0.00 -1.66 -1.23 0.00 0.00 175.04 172.15 1a46 s TRP 215 N -1.92 -0.07 -0.09 0.66 1.48 -1.01 -4.91 118.94 113.09 1a46 s TRP 215 Ca -0.06 -0.33 -0.32 0.00 -1.06 0.00 0.00 56.10 54.34 1a46 s TRP 215 Cb 0.01 0.50 0.12 0.00 -1.16 0.00 0.00 33.47 32.94 1a46 s TRP 215 CO 0.09 -1.08 1.04 0.20 -4.06 0.00 0.00 176.95 173.15 1a46 s GLY 216 N -2.92 -0.38 -0.47 3.67 0.00 -1.26 -1.25 107.32 104.71 1a46 s GLY 216 Ca 0.13 1.29 -0.02 0.00 0.00 0.00 0.00 44.72 46.11 1a46 s GLY 216 CO 0.04 0.43 0.27 -0.54 0.00 0.00 0.00 173.10 173.29 1a46 s GLU 217 N -2.78 2.14 1.38 2.90 2.02 -1.26 -4.92 118.70 118.18 1a46 s GLU 217 Ca 0.07 -2.04 0.00 0.00 0.02 0.00 0.00 54.97 53.02 1a46 s GLU 217 Cb -0.01 -3.61 0.00 0.00 0.10 0.00 0.00 34.13 30.61 1a46 s GLU 217 CO -0.07 -1.10 0.00 0.41 0.02 0.00 0.00 175.26 174.52 1a46 n GLY 219 N 4.23 -1.79 2.82 -1.39 0.00 -1.26 -4.72 105.19 103.09 1a46 n GLY 219 Ca 0.01 -1.43 -0.21 0.00 0.00 0.00 0.00 46.02 44.39 1a46 n GLY 219 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1a46 n ASP 221 N 4.56 -5.86 -4.80 0.00 2.03 -1.26 -4.60 116.55 106.63 1a46 n ASP 221 Ca -0.17 -0.28 -0.36 0.00 0.52 0.00 0.00 54.79 54.49 1a46 n ASP 221 Cb 0.50 -4.75 -0.06 0.00 -0.72 0.00 0.00 41.12 36.09 1a46 n ASP 221 CO 0.00 0.00 0.00 -0.13 -1.92 0.00 0.00 177.20 175.15 1a46 s ARG 221 N -5.71 4.43 0.26 -0.67 1.81 -1.26 -4.95 118.95 112.86 1a46 s ARG 221 Ca 0.30 1.12 -0.30 0.00 -1.72 0.00 0.00 55.73 55.13 1a46 s ARG 221 Cb -0.14 -2.82 -0.10 0.00 -0.45 0.00 0.00 34.95 31.44 1a46 s ARG 221 CO 0.37 0.32 1.49 -0.51 -0.68 0.00 0.00 175.30 176.29 1a46 s ASP 222 N -1.65 6.57 0.00 0.23 1.11 -1.26 -2.26 116.67 119.41 1a46 s ASP 222 Ca 0.47 2.75 0.00 0.00 0.18 0.00 0.00 52.55 55.95 1a46 s ASP 222 Cb -0.17 -2.63 0.00 0.00 1.07 0.00 0.00 42.92 41.19 1a46 s ASP 222 CO 0.22 -0.77 0.00 0.61 1.18 0.00 0.00 175.17 176.42 1a46 n GLY 223 N 2.23 0.67 3.56 0.21 0.00 -1.26 -5.00 105.19 105.59 1a46 n GLY 223 Ca 0.07 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.85 1a46 n GLY 223 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1a46 s LYS 224 N -0.13 2.00 0.12 1.61 -0.14 -0.96 -4.81 119.74 117.43 1a46 s LYS 224 Ca 0.00 -1.51 0.01 0.00 -1.36 0.00 0.00 55.97 53.12 1a46 s LYS 224 Cb 0.00 -2.02 -0.04 0.00 -1.68 0.00 0.00 37.83 34.09 1a46 s LYS 224 CO 0.00 0.37 -0.04 0.71 -0.76 0.00 0.00 175.35 175.64 1a46 s TYR 225 N -2.21 0.94 0.09 3.18 2.02 -1.26 -4.74 117.35 115.37 1a46 s TYR 225 Ca 0.29 -0.98 -0.04 0.00 -0.37 0.00 0.00 57.07 55.97 1a46 s TYR 225 Cb -0.07 -0.55 -0.05 0.00 -0.40 0.00 0.00 41.96 40.90 1a46 s TYR 225 CO 0.17 -0.21 0.31 0.20 -1.57 0.00 0.00 175.55 174.45 1a46 s GLY 226 N -3.07 2.23 -0.05 0.71 0.00 -0.71 -4.55 107.32 101.88 1a46 s GLY 226 Ca 0.16 -0.63 0.04 0.00 0.00 0.00 0.00 44.72 44.29 1a46 s GLY 226 CO -0.02 -0.54 -0.15 -1.36 0.00 0.00 0.00 173.10 171.03 1a46 s PHE 227 N -1.54 2.67 0.02 1.90 0.40 -0.38 -0.40 117.98 120.65 1a46 s PHE 227 Ca 0.36 -0.18 0.03 0.00 -0.60 0.00 0.00 56.93 56.54 1a46 s PHE 227 Cb -0.13 -1.61 -0.01 0.00 0.51 0.00 0.00 43.02 41.77 1a46 s PHE 227 CO 0.23 0.17 -0.09 0.71 0.70 0.00 0.00 175.22 176.94 1a46 s TYR 228 N -0.73 0.80 0.28 0.36 1.51 -0.18 -2.16 117.35 117.23 1a46 s TYR 228 Ca 0.11 -0.28 -0.29 0.00 -1.01 0.00 0.00 57.07 55.60 1a46 s TYR 228 Cb -0.11 -0.49 -0.10 0.00 -0.11 0.00 0.00 41.96 41.16 1a46 s TYR 228 CO 0.00 -0.02 1.35 0.99 -1.11 0.00 0.00 175.55 176.76 1a46 s THR 229 N -0.68 2.81 -0.78 -0.71 2.01 -0.69 -1.85 115.64 115.75 1a46 s THR 229 Ca -0.01 0.74 -0.21 0.00 0.31 0.00 0.00 61.69 62.52 1a46 s THR 229 Cb -0.06 -3.47 0.09 0.00 0.01 0.00 0.00 72.50 69.07 1a46 s THR 229 CO 0.00 0.14 1.04 -2.28 -0.69 0.00 0.00 174.62 172.84 1a46 s HIS 230 N -0.52 2.85 0.15 4.92 2.46 -0.42 -2.65 115.29 122.09 1a46 s HIS 230 Ca 0.54 -0.91 -0.17 0.00 0.47 0.00 0.00 55.06 54.99 1a46 s HIS 230 Cb -0.40 -4.30 0.06 0.00 -0.13 0.00 0.00 32.58 27.82 1a46 s HIS 230 CO 0.47 -1.59 1.72 0.28 -2.47 0.00 0.00 174.74 173.15 1a46 h VAL 231 N 5.95 0.81 -0.49 0.89 2.07 -1.79 -2.89 116.25 120.80 1a46 h VAL 231 Ca -0.09 -0.05 0.02 0.00 0.82 0.00 0.00 66.70 67.40 1a46 h VAL 231 Cb 1.05 0.64 -0.03 0.00 -1.52 0.00 0.00 31.29 31.43 1a46 h VAL 231 CO 1.16 0.03 0.29 0.15 0.02 0.00 0.00 177.57 179.22 1a46 h PHE 232 N 0.16 0.54 -0.18 1.57 3.57 -1.88 -1.41 116.94 119.31 1a46 h PHE 232 Ca 0.16 0.02 0.05 0.00 3.53 0.00 0.00 57.97 61.73 1a46 h PHE 232 Cb 0.19 -0.17 -0.01 0.00 2.79 0.00 0.00 35.95 38.75 1a46 h PHE 232 CO -0.20 0.31 0.18 0.00 -2.23 0.00 0.00 178.31 176.37 1a46 h ARG 233 N 0.58 0.00 -0.54 1.11 2.47 -1.89 -0.34 114.38 115.76 1a46 h ARG 233 Ca 0.20 0.00 0.00 0.00 -1.26 0.00 0.00 59.98 58.92 1a46 h ARG 233 Cb 0.03 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 28.35 1a46 h ARG 233 CO -0.09 0.00 0.00 1.28 0.56 0.00 0.00 179.97 181.72 1a46 n LEU 234 N -3.95 3.92 0.12 3.04 4.77 -0.57 -4.70 117.00 119.64 1a46 n LEU 234 Ca 0.01 -2.25 0.04 0.00 -0.03 0.00 0.00 56.01 53.78 1a46 n LEU 234 Cb 0.30 -0.45 0.44 0.00 -2.33 0.00 0.00 43.42 41.38 1a46 n LEU 234 CO 0.29 0.82 0.96 0.50 -1.33 0.00 0.00 177.39 178.64 1a46 h LYS 235 N 3.29 0.25 -0.45 3.23 3.64 -0.66 -2.51 116.57 123.36 1a46 h LYS 235 Ca 0.00 -0.04 -0.05 0.00 -1.27 0.00 0.00 60.65 59.28 1a46 h LYS 235 Cb 1.12 -0.04 -0.02 0.00 -0.41 0.00 0.00 32.23 32.87 1a46 h LYS 235 CO 0.10 0.31 0.05 -0.22 -2.27 0.00 0.00 179.45 177.43 1a46 h LYS 236 N 0.24 0.70 -0.19 1.90 3.11 -1.84 -1.63 116.57 118.86 1a46 h LYS 236 Ca 0.06 -0.15 -0.12 0.00 -2.81 0.00 0.00 60.65 57.62 1a46 h LYS 236 Cb 0.24 -0.10 0.00 0.00 -1.00 0.00 0.00 32.23 31.37 1a46 h LYS 236 CO 0.01 0.68 -0.36 2.35 -2.81 0.00 0.00 179.45 179.32 1a46 h TRP 237 N 0.67 0.73 -0.16 1.91 7.01 -1.82 -2.34 115.95 121.95 1a46 h TRP 237 Ca 0.14 -0.26 0.04 0.00 2.11 0.00 0.00 58.89 60.92 1a46 h TRP 237 Cb 0.34 -0.14 -0.04 0.00 -2.10 0.00 0.00 29.16 27.22 1a46 h TRP 237 CO 0.02 1.00 -0.10 0.82 -2.79 0.00 0.00 178.44 177.39 1a46 h ILE 238 N 0.25 0.70 0.28 2.65 2.04 -1.30 -2.66 117.51 119.47 1a46 h ILE 238 Ca 0.01 0.00 -0.00 0.00 1.00 0.00 0.00 64.86 65.87 1a46 h ILE 238 Cb 0.95 0.70 -0.02 0.00 -0.74 0.00 0.00 36.82 37.71 1a46 h ILE 238 CO 0.08 0.00 -0.37 1.56 0.00 0.00 0.00 178.15 179.42 1a46 h GLN 239 N -0.09 -0.64 -0.93 2.37 4.20 -1.28 -2.30 115.11 116.44 1a46 h GLN 239 Ca 0.10 0.04 0.30 0.00 0.06 0.00 0.00 58.65 59.15 1a46 h GLN 239 Cb 0.23 0.15 -0.17 0.00 0.30 0.00 0.00 27.48 27.99 1a46 h GLN 239 CO -0.22 -0.43 0.19 1.17 -0.67 0.00 0.00 178.83 178.87 1a46 n LYS 240 N -4.60 -0.07 0.06 1.46 4.81 -0.89 -1.13 118.16 117.82 1a46 n LYS 240 Ca -0.08 1.35 -0.21 0.00 -0.87 0.00 0.00 58.31 58.50 1a46 n LYS 240 Cb 0.32 -2.24 -0.14 0.00 0.02 0.00 0.00 35.03 32.99 1a46 n LYS 240 CO 0.00 0.00 0.00 -0.24 1.17 0.00 0.00 177.40 178.33 1a46 h VAL 241 N 0.00 1.43 0.00 3.15 3.04 -1.07 -2.90 116.25 119.90 1a46 h VAL 241 Ca 0.64 -2.47 -0.03 0.00 -1.01 0.00 0.00 66.70 63.83 1a46 h VAL 241 Cb 1.49 3.00 -0.00 0.00 -2.01 0.00 0.00 31.29 33.76 1a46 h VAL 241 CO -0.81 0.72 -0.14 0.40 -1.01 0.00 0.00 177.57 176.72 1a46 h ILE 242 N -0.15 1.10 0.29 3.17 2.04 -0.83 0.04 117.51 123.17 1a46 h ILE 242 Ca -0.16 -0.49 -0.01 0.00 1.00 0.00 0.00 64.86 65.20 1a46 h ILE 242 Cb 1.71 1.27 0.00 0.00 -0.74 0.00 0.00 36.82 39.06 1a46 h ILE 242 CO 0.18 0.14 -0.14 0.44 0.00 0.00 0.00 178.15 178.77 1a46 h ASP 243 N 0.00 -0.33 0.31 1.72 3.32 -1.19 -3.22 116.42 117.03 1a46 h ASP 243 Ca -0.00 0.01 -0.03 0.00 0.02 0.00 0.00 57.03 57.03 1a46 h ASP 243 Cb 0.26 0.08 -0.00 0.00 0.22 0.00 0.00 39.33 39.89 1a46 h ASP 243 CO 0.02 -0.18 -0.15 -0.61 -1.72 0.00 0.00 179.24 176.60 1a46 h GLN 244 N -0.48 0.00 -0.07 3.56 4.15 -1.52 -3.30 115.11 117.44 1a46 h GLN 244 Ca -0.04 0.00 -0.04 0.00 0.77 0.00 0.00 58.65 59.34 1a46 h GLN 244 Cb 0.29 0.00 -0.02 0.00 0.21 0.00 0.00 27.48 27.96 1a46 h GLN 244 CO 0.06 0.15 -0.38 1.19 -1.93 0.00 0.00 178.83 177.93 1a46 n PHE 245 N -3.85 0.23 -0.59 3.99 3.72 -0.00 -5.09 117.46 115.86 1a46 n PHE 245 Ca -0.02 -1.48 0.00 0.00 -0.05 0.00 0.00 57.45 55.90 1a46 n PHE 245 Cb 0.25 -0.29 0.00 0.00 -0.94 0.00 0.00 39.48 38.49 1a46 n PHE 245 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12