#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1a3b s VAL 17 N 0.00 4.52 -1.24 1.39 1.01 -0.04 -3.97 120.40 122.06 1a3b s VAL 17 Ca 0.00 -0.14 -0.03 0.00 0.00 0.00 0.00 61.98 61.81 1a3b s VAL 17 Cb 0.00 -3.01 0.00 0.00 0.00 0.00 0.00 36.38 33.38 1a3b s VAL 17 CO 0.00 0.49 0.42 -0.62 0.00 0.00 0.00 175.10 175.39 1a3b n GLU 18 N 3.37 -3.54 0.00 2.72 -0.58 -1.26 -2.64 120.64 118.71 1a3b n GLU 18 Ca -0.17 0.73 0.00 0.00 -0.42 0.00 0.00 57.16 57.30 1a3b n GLU 18 Cb 0.52 -5.17 0.00 0.00 -0.57 0.00 0.00 31.44 26.22 1a3b n GLU 18 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 1a3b n GLY 19 N -1.32 1.87 3.28 0.62 0.00 -1.26 -4.62 105.19 103.77 1a3b n GLY 19 Ca -0.10 -1.99 -0.10 0.00 0.00 0.00 0.00 46.02 43.82 1a3b n GLY 19 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1a3b s SER 20 N -1.00 -0.14 0.29 1.61 1.04 -0.31 -4.94 113.70 110.26 1a3b s SER 20 Ca 0.00 -0.37 -0.30 0.00 0.48 0.00 0.00 55.95 55.76 1a3b s SER 20 Cb 0.00 0.43 -0.12 0.00 0.10 0.00 0.00 66.02 66.42 1a3b s SER 20 CO 0.00 -0.79 1.48 0.47 0.98 0.00 0.00 173.24 175.38 1a3b n ASP 21 N -0.06 3.35 -4.80 7.02 9.92 -1.26 -0.75 116.55 129.97 1a3b n ASP 21 Ca -0.16 1.16 -0.34 0.00 -0.53 0.00 0.00 54.79 54.92 1a3b n ASP 21 Cb 0.63 -1.53 -0.04 0.00 -0.64 0.00 0.00 41.12 39.54 1a3b n ASP 21 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 1a3b s ALA 22 N -0.31 2.90 0.61 2.24 0.00 0.43 -4.77 121.76 122.86 1a3b s ALA 22 Ca 0.63 0.56 -0.12 0.00 0.00 0.00 0.00 51.96 53.02 1a3b s ALA 22 Cb -0.55 -3.23 -0.04 0.00 0.00 0.00 0.00 23.12 19.30 1a3b s ALA 22 CO 0.53 -0.25 1.03 -1.21 0.00 0.00 0.00 175.76 175.86 1a3b s GLU 23 N -3.27 3.55 0.08 0.00 2.02 -1.26 -4.93 118.70 114.89 1a3b s GLU 23 Ca 0.66 0.84 -0.31 0.00 0.02 0.00 0.00 54.97 56.18 1a3b s GLU 23 Cb -0.15 -2.07 -0.08 0.00 0.10 0.00 0.00 34.13 31.92 1a3b s GLU 23 CO 0.19 -0.61 1.62 0.42 0.02 0.00 0.00 175.26 176.91 1a3b s ILE 24 N -3.03 3.03 -1.09 -1.63 -1.09 -1.26 -2.00 121.20 114.13 1a3b s ILE 24 Ca 0.57 0.52 0.00 0.00 -2.23 0.00 0.00 60.65 59.51 1a3b s ILE 24 Cb -0.11 -3.34 0.00 0.00 -1.58 0.00 0.00 42.46 37.43 1a3b s ILE 24 CO 0.49 0.00 0.00 0.61 -1.23 0.00 0.00 174.94 174.82 1a3b n GLY 25 N 3.94 0.84 0.13 6.18 0.00 -1.26 -4.91 105.19 110.10 1a3b n GLY 25 Ca 0.15 -0.50 -0.02 0.00 0.00 0.00 0.00 46.02 45.65 1a3b n GLY 25 CO 0.00 0.00 0.00 1.98 0.00 0.00 0.00 173.32 175.30 1a3b h MET 26 N 0.00 0.01 -2.05 1.61 -1.53 -1.77 -3.36 114.93 107.84 1a3b h MET 26 Ca -0.23 -0.01 -0.57 0.00 -3.44 0.00 0.00 59.70 55.45 1a3b h MET 26 Cb 0.85 0.00 -0.40 0.00 -0.55 0.00 0.00 31.60 31.51 1a3b h MET 26 CO 0.32 0.68 -0.98 0.45 0.14 0.00 0.00 176.91 177.52 1a3b n SER 27 N -3.74 1.09 0.00 1.39 2.88 -1.26 -4.98 113.62 109.00 1a3b n SER 27 Ca -0.01 -2.88 0.11 0.00 -1.33 0.00 0.00 58.87 54.76 1a3b n SER 27 Cb 0.66 -0.65 0.63 0.00 -0.75 0.00 0.00 64.21 64.11 1a3b n SER 27 CO 0.00 0.00 0.00 -0.81 -1.23 0.00 0.00 175.04 173.00 1a3b n PRO 28 N 1.26 0.53 0.00 -1.46 -0.04 -1.26 -1.28 135.00 132.75 1a3b n PRO 28 Ca 0.23 0.04 0.13 0.00 -0.04 0.00 0.00 63.50 63.86 1a3b n PRO 28 Cb 0.50 -1.50 0.30 0.00 -0.04 0.00 0.00 33.50 32.76 1a3b n PRO 28 CO 0.00 0.00 0.00 -2.67 -0.04 0.00 0.00 175.50 172.79 1a3b n TRP 29 N -1.14 0.00 -1.94 0.54 2.14 -0.92 -1.80 117.44 114.31 1a3b n TRP 29 Ca 0.14 0.00 -0.42 0.00 2.07 0.00 0.00 57.50 59.29 1a3b n TRP 29 Cb 0.13 -0.01 -0.03 0.00 -0.81 0.00 0.00 31.31 30.59 1a3b n TRP 29 CO 0.00 0.00 0.00 -1.14 2.07 0.00 0.00 177.69 178.62 1a3b s GLN 30 N -2.11 4.22 0.03 -2.67 2.00 -0.41 -0.42 119.66 120.30 1a3b s GLN 30 Ca 0.31 2.36 0.05 0.00 -2.00 0.00 0.00 55.36 56.08 1a3b s GLN 30 Cb 0.20 -3.14 -0.02 0.00 0.80 0.00 0.00 33.01 30.85 1a3b s GLN 30 CO 0.37 -0.57 -0.16 0.08 -0.50 0.00 0.00 175.29 174.50 1a3b s VAL 31 N 0.89 1.27 -0.20 1.34 1.01 -0.15 -3.92 120.40 120.65 1a3b s VAL 31 Ca 0.68 -0.97 -0.03 0.00 0.00 0.00 0.00 61.98 61.66 1a3b s VAL 31 Cb -0.44 -1.11 -0.01 0.00 0.00 0.00 0.00 36.38 34.82 1a3b s VAL 31 CO 0.34 0.13 -0.07 -0.32 0.00 0.00 0.00 175.10 175.18 1a3b s MET 32 N -0.97 3.36 -0.28 2.72 1.75 -0.45 -0.52 119.30 124.91 1a3b s MET 32 Ca 0.04 -0.65 -0.22 0.00 -1.25 0.00 0.00 55.69 53.61 1a3b s MET 32 Cb -0.08 -2.90 -0.01 0.00 2.84 0.00 0.00 34.83 34.68 1a3b s MET 32 CO 0.01 -0.10 0.73 -0.51 -0.65 0.00 0.00 175.02 174.50 1a3b s LEU 33 N 1.21 4.09 -0.12 4.11 1.43 0.25 -1.18 118.68 128.47 1a3b s LEU 33 Ca 0.02 0.70 0.03 0.00 -1.03 0.00 0.00 54.13 53.85 1a3b s LEU 33 Cb -0.14 -3.00 0.01 0.00 0.03 0.00 0.00 46.19 43.08 1a3b s LEU 33 CO -0.02 -0.52 -0.21 0.12 0.23 0.00 0.00 176.35 175.94 1a3b s PHE 34 N 2.78 2.49 0.06 0.29 5.36 -0.55 0.11 117.98 128.51 1a3b s PHE 34 Ca 0.30 -1.15 -0.30 0.00 -0.96 0.00 0.00 56.93 54.83 1a3b s PHE 34 Cb -0.15 -1.69 -0.04 0.00 -0.34 0.00 0.00 43.02 40.80 1a3b s PHE 34 CO 0.11 -0.51 0.99 0.50 -1.46 0.00 0.00 175.22 174.85 1a3b s ARG 35 N 0.65 4.61 0.12 10.12 3.52 0.29 -1.33 118.95 136.93 1a3b s ARG 35 Ca -0.12 1.46 -0.16 0.00 -0.13 0.00 0.00 55.73 56.78 1a3b s ARG 35 Cb -0.16 -3.41 -0.02 0.00 -1.56 0.00 0.00 34.95 29.79 1a3b s ARG 35 CO 0.02 0.05 1.63 0.87 -0.81 0.00 0.00 175.30 177.07 1a3b h LYS 36 N 6.23 0.59 -2.04 5.12 1.57 -1.72 -2.82 116.57 123.50 1a3b h LYS 36 Ca -0.42 -0.13 0.06 0.00 -1.87 0.00 0.00 60.65 58.28 1a3b h LYS 36 Cb 1.22 -0.08 -0.21 0.00 0.08 0.00 0.00 32.23 33.24 1a3b h LYS 36 CO 0.74 0.61 -0.12 0.45 -0.57 0.00 0.00 179.45 180.56 1a3b s SER 37 N -5.93 -1.06 0.49 0.86 0.15 -1.26 -3.70 113.70 103.25 1a3b s SER 37 Ca -0.13 1.53 -0.22 0.00 0.70 0.00 0.00 55.95 57.83 1a3b s SER 37 Cb 0.10 2.09 -0.07 0.00 -1.71 0.00 0.00 66.02 66.43 1a3b s SER 37 CO 0.76 -0.22 1.16 -2.16 1.20 0.00 0.00 173.24 173.97 1a3b s PRO 37 N 2.66 3.59 -0.37 5.44 0.04 -1.26 -5.04 135.00 140.06 1a3b s PRO 37 Ca -0.06 1.73 -0.29 0.00 0.04 0.00 0.00 61.00 62.41 1a3b s PRO 37 Cb -0.11 -2.25 0.00 0.00 0.04 0.00 0.00 34.50 32.18 1a3b s PRO 37 CO -0.19 -0.68 1.47 -0.65 0.04 0.00 0.00 177.00 177.00 1a3b s GLN 38 N -2.92 3.60 0.15 4.56 -0.21 -1.24 -4.66 119.66 118.94 1a3b s GLN 38 Ca 0.67 1.11 -0.20 0.00 0.02 0.00 0.00 55.36 56.96 1a3b s GLN 38 Cb -0.27 -4.03 0.05 0.00 1.00 0.00 0.00 33.01 29.76 1a3b s GLN 38 CO 0.32 -1.53 0.51 -1.83 -2.12 0.00 0.00 175.29 170.64 1a3b s GLU 39 N 4.92 1.19 -0.02 2.91 -1.05 -1.06 -4.98 118.70 120.61 1a3b s GLU 39 Ca 0.64 -0.60 -0.30 0.00 -0.15 0.00 0.00 54.97 54.56 1a3b s GLU 39 Cb -0.16 0.53 -0.04 0.00 -0.44 0.00 0.00 34.13 34.02 1a3b s GLU 39 CO 0.31 -0.50 1.14 -1.17 0.95 0.00 0.00 175.26 175.99 1a3b s LEU 40 N -2.78 4.32 -0.25 1.83 2.96 -1.26 -0.55 118.68 122.94 1a3b s LEU 40 Ca 0.02 1.81 -0.11 0.00 -0.22 0.00 0.00 54.13 55.64 1a3b s LEU 40 Cb 0.00 -3.57 -0.16 0.00 0.50 0.00 0.00 46.19 42.97 1a3b s LEU 40 CO -0.12 -0.48 -0.18 0.18 -1.32 0.00 0.00 176.35 174.43 1a3b n LEU 41 N 4.60 2.25 -3.89 -0.68 4.77 0.12 -4.90 117.00 119.26 1a3b n LEU 41 Ca 0.09 0.22 -0.02 0.00 -0.03 0.00 0.00 56.01 56.28 1a3b n LEU 41 Cb 0.47 -0.89 0.02 0.00 -2.33 0.00 0.00 43.42 40.69 1a3b n LEU 41 CO 0.54 0.64 0.88 0.00 -1.33 0.00 0.00 177.39 178.13 1a3b s GLY 43 N -3.47 1.84 0.21 0.00 0.00 0.70 -0.58 107.32 106.02 1a3b s GLY 43 Ca 0.23 -1.46 -0.21 0.00 0.00 0.00 0.00 44.72 43.28 1a3b s GLY 43 CO 0.04 -1.16 1.00 0.00 0.00 0.00 0.00 173.10 172.98 1a3b s ALA 44 N -2.72 -1.49 0.01 3.20 0.00 0.32 -3.23 121.76 117.85 1a3b s ALA 44 Ca 0.58 -0.36 -0.02 0.00 0.00 0.00 0.00 51.96 52.15 1a3b s ALA 44 Cb -0.10 0.74 -0.01 0.00 0.00 0.00 0.00 23.12 23.76 1a3b s ALA 44 CO 0.38 -1.05 0.03 -1.54 0.00 0.00 0.00 175.76 173.57 1a3b s SER 45 N -3.33 0.15 -0.28 0.00 1.04 0.13 -0.97 113.70 110.43 1a3b s SER 45 Ca 0.20 -0.36 -0.16 0.00 0.48 0.00 0.00 55.95 56.11 1a3b s SER 45 Cb -0.03 0.13 -0.03 0.00 0.10 0.00 0.00 66.02 66.20 1a3b s SER 45 CO 0.06 -0.29 0.44 -0.22 0.98 0.00 0.00 173.24 174.21 1a3b s LEU 46 N -1.30 4.11 0.00 2.42 2.96 0.44 -0.18 118.68 127.14 1a3b s LEU 46 Ca -0.14 0.28 0.07 0.00 -0.22 0.00 0.00 54.13 54.13 1a3b s LEU 46 Cb -0.08 -2.52 0.09 0.00 0.50 0.00 0.00 46.19 44.17 1a3b s LEU 46 CO -0.00 -0.28 0.82 2.30 -1.32 0.00 0.00 176.35 177.87 1a3b n ILE 47 N 5.19 0.18 -3.95 6.68 -5.35 -0.74 -1.47 119.36 119.90 1a3b n ILE 47 Ca -0.06 -0.59 0.02 0.00 -0.27 0.00 0.00 62.75 61.84 1a3b n ILE 47 Cb 0.50 1.04 0.01 0.00 -1.74 0.00 0.00 39.64 39.45 1a3b n ILE 47 CO 0.00 0.00 0.00 -0.94 -1.76 0.00 0.00 176.55 173.85 1a3b s SER 48 N -0.70 0.00 0.00 7.28 1.04 -1.21 -4.80 113.70 115.32 1a3b s SER 48 Ca 0.10 -0.27 0.28 0.00 0.48 0.00 0.00 55.95 56.54 1a3b s SER 48 Cb 0.07 0.20 1.56 0.00 0.10 0.00 0.00 66.02 67.94 1a3b s SER 48 CO 0.10 -0.39 1.98 -0.90 0.98 0.00 0.00 173.24 175.01 1a3b n ASP 49 N -1.05 0.00 0.00 7.02 5.75 -1.26 -3.69 116.55 123.32 1a3b n ASP 49 Ca 0.02 -0.58 0.00 0.00 -0.01 0.00 0.00 54.79 54.21 1a3b n ASP 49 Cb 0.59 -0.11 0.00 0.00 -1.03 0.00 0.00 41.12 40.57 1a3b n ASP 49 CO 0.00 0.00 0.00 0.54 -0.11 0.00 0.00 177.20 177.63 1a3b n ARG 50 N -1.11 0.00 -4.47 0.11 1.74 -1.26 -0.88 116.66 110.80 1a3b n ARG 50 Ca 0.18 -0.39 -0.22 0.00 -0.77 0.00 0.00 57.85 56.65 1a3b n ARG 50 Cb 0.14 -0.43 -0.16 0.00 -1.02 0.00 0.00 32.46 30.99 1a3b n ARG 50 CO 0.00 0.00 0.00 -1.58 -1.52 0.00 0.00 177.63 174.53 1a3b s TRP 51 N 0.00 1.18 -0.05 -1.55 0.52 -1.24 -0.93 118.94 116.86 1a3b s TRP 51 Ca 0.00 -0.37 0.05 0.00 0.02 0.00 0.00 56.10 55.80 1a3b s TRP 51 Cb 0.00 -0.87 -0.01 0.00 -1.15 0.00 0.00 33.47 31.44 1a3b s TRP 51 CO 0.00 -0.19 -0.21 0.08 0.02 0.00 0.00 176.95 176.65 1a3b s VAL 52 N 0.50 1.73 -0.11 4.03 1.01 -0.45 -1.79 120.40 125.31 1a3b s VAL 52 Ca -0.09 -0.88 -0.03 0.00 0.00 0.00 0.00 61.98 60.97 1a3b s VAL 52 Cb -0.13 -1.48 -0.03 0.00 0.00 0.00 0.00 36.38 34.74 1a3b s VAL 52 CO 0.02 0.49 0.02 -0.22 0.00 0.00 0.00 175.10 175.41 1a3b s LEU 53 N -0.00 3.67 0.00 3.92 2.96 0.75 -0.62 118.68 129.36 1a3b s LEU 53 Ca -0.05 0.14 -0.10 0.00 -0.22 0.00 0.00 54.13 53.89 1a3b s LEU 53 Cb -0.13 -1.86 0.04 0.00 0.50 0.00 0.00 46.19 44.74 1a3b s LEU 53 CO 0.03 0.33 0.65 1.07 -1.32 0.00 0.00 176.35 177.11 1a3b n THR 54 N 2.50 0.00 -3.09 3.68 5.66 -0.52 -0.69 114.28 121.82 1a3b n THR 54 Ca -0.18 -1.11 -0.39 0.00 -3.05 0.00 0.00 64.05 59.32 1a3b n THR 54 Cb 0.53 0.93 -0.06 0.00 -1.55 0.00 0.00 70.33 70.19 1a3b n THR 54 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 1a3b s ALA 55 N -2.18 3.47 0.30 1.79 0.00 -1.26 -0.92 121.76 122.97 1a3b s ALA 55 Ca 0.18 0.21 -0.02 0.00 0.00 0.00 0.00 51.96 52.33 1a3b s ALA 55 Cb -0.04 -2.85 0.45 0.00 0.00 0.00 0.00 23.12 20.68 1a3b s ALA 55 CO 0.13 0.25 1.97 0.00 0.00 0.00 0.00 175.76 178.11 1a3b h ALA 56 N 4.89 1.41 0.00 0.00 0.00 -1.71 -1.81 119.26 122.04 1a3b h ALA 56 Ca -0.47 -0.06 0.00 0.00 0.00 0.00 0.00 54.91 54.39 1a3b h ALA 56 Cb 1.21 -0.33 0.00 0.00 0.00 0.00 0.00 17.79 18.66 1a3b h ALA 56 CO 0.67 0.55 0.00 -2.39 0.00 0.00 0.00 179.25 178.08 1a3b n HIS 57 N -4.41 0.00 0.27 0.00 1.44 -1.25 -0.23 115.22 111.04 1a3b n HIS 57 Ca 0.09 0.00 0.13 0.00 -2.01 0.00 0.00 57.72 55.93 1a3b n HIS 57 Cb 0.03 -0.50 0.27 0.00 0.12 0.00 0.00 29.99 29.91 1a3b n HIS 57 CO 0.00 0.00 0.00 0.00 -2.81 0.00 0.00 176.34 173.53 1a3b n LEU 59 N -3.01 0.75 -3.64 0.00 4.77 -0.21 -4.92 117.00 110.74 1a3b n LEU 59 Ca 0.04 -0.01 -0.25 0.00 -0.03 0.00 0.00 56.01 55.76 1a3b n LEU 59 Cb 0.48 0.04 -0.17 0.00 -2.33 0.00 0.00 43.42 41.44 1a3b n LEU 59 CO 0.32 0.25 -0.34 -0.22 -1.33 0.00 0.00 177.39 176.08 1a3b s LEU 60 N -4.64 0.39 0.14 2.23 2.96 0.68 -1.27 118.68 119.17 1a3b s LEU 60 Ca -0.04 -0.45 -0.15 0.00 -0.22 0.00 0.00 54.13 53.28 1a3b s LEU 60 Cb 0.02 -0.26 0.02 0.00 0.50 0.00 0.00 46.19 46.47 1a3b s LEU 60 CO 0.20 -0.32 0.39 -0.47 -1.32 0.00 0.00 176.35 174.84 1a3b s TYR 60 N 2.11 -0.07 0.00 5.38 5.04 0.11 -3.93 117.35 125.98 1a3b s TYR 60 Ca 0.03 -0.27 0.00 0.00 -2.44 0.00 0.00 57.07 54.39 1a3b s TYR 60 Cb -0.15 0.21 0.00 0.00 0.35 0.00 0.00 41.96 42.37 1a3b s TYR 60 CO -0.07 -0.73 0.00 -2.30 -1.34 0.00 0.00 175.55 171.11 1a3b n PRO 60 N -0.23 0.00 -0.13 4.97 -0.02 -1.26 -2.25 135.00 136.07 1a3b n PRO 60 Ca -0.14 0.00 0.04 0.00 -2.02 0.00 0.00 63.50 61.38 1a3b n PRO 60 Cb 0.63 -0.06 0.11 0.00 -0.02 0.00 0.00 33.50 34.16 1a3b n PRO 60 CO 0.00 0.00 0.00 0.91 1.98 0.00 0.00 175.50 178.39 1a3b n TRP 60 N -0.00 0.32 -3.49 6.00 8.01 -1.26 -4.97 117.44 122.05 1a3b n TRP 60 Ca 0.00 -0.55 -0.20 0.00 -1.31 0.00 0.00 57.50 55.43 1a3b n TRP 60 Cb 0.00 -0.06 0.08 0.00 -2.01 0.00 0.00 31.31 29.32 1a3b n TRP 60 CO 0.00 0.00 0.00 -0.25 -1.01 0.00 0.00 177.69 176.43 1a3b n ASP 60 N -0.01 -4.28 -4.41 -0.99 8.00 -1.08 -4.99 116.55 108.79 1a3b n ASP 60 Ca 0.09 -0.57 -0.36 0.00 0.71 0.00 0.00 54.79 54.66 1a3b n ASP 60 Cb 0.42 -4.99 -0.13 0.00 -0.02 0.00 0.00 41.12 36.39 1a3b n ASP 60 CO 0.00 0.00 0.00 -0.75 -0.39 0.00 0.00 177.20 176.06 1a3b s LYS 60 N -5.84 3.57 -0.51 -1.24 2.20 -0.96 -4.99 119.74 111.98 1a3b s LYS 60 Ca 0.30 -0.52 0.06 0.00 -0.36 0.00 0.00 55.97 55.45 1a3b s LYS 60 Cb -0.13 -3.22 0.21 0.00 -1.51 0.00 0.00 37.83 33.17 1a3b s LYS 60 CO 0.72 -0.18 0.79 -1.71 -0.36 0.00 0.00 175.35 174.60 1a3b n ASN 60 N 4.85 -3.25 -4.77 1.43 2.85 -1.23 0.04 115.26 115.18 1a3b n ASN 60 Ca -0.17 -3.01 -0.39 0.00 -0.11 0.00 0.00 54.58 50.90 1a3b n ASN 60 Cb 0.51 1.77 -0.05 0.00 1.24 0.00 0.00 39.78 43.25 1a3b n ASN 60 CO 0.00 0.00 0.00 -0.36 -2.11 0.00 0.00 177.26 174.79 1a3b s PHE 60 N 0.81 3.60 0.51 1.20 0.08 -0.39 -5.03 117.98 118.76 1a3b s PHE 60 Ca 0.31 1.75 0.08 0.00 0.12 0.00 0.00 56.93 59.18 1a3b s PHE 60 Cb 0.08 -3.12 0.04 0.00 -0.57 0.00 0.00 43.02 39.44 1a3b s PHE 60 CO -0.11 -0.23 0.54 -0.08 -0.10 0.00 0.00 175.22 175.24 1a3b s THR 60 N -1.37 2.23 0.11 0.64 -1.32 -1.26 -4.89 115.64 109.77 1a3b s THR 60 Ca 0.48 -1.24 -0.33 0.00 -1.21 0.00 0.00 61.69 59.40 1a3b s THR 60 Cb -0.26 -2.46 -0.13 0.00 -1.51 0.00 0.00 72.50 68.14 1a3b s THR 60 CO 0.33 0.00 1.57 -0.33 -2.21 0.00 0.00 174.62 173.98 1a3b h GLU 61 N 0.62 -0.73 0.00 7.08 3.07 -1.95 -2.62 114.58 120.06 1a3b h GLU 61 Ca -0.36 0.05 0.00 0.00 -0.50 0.00 0.00 59.36 58.55 1a3b h GLU 61 Cb 1.29 0.16 0.00 0.00 -0.84 0.00 0.00 28.75 29.36 1a3b h GLU 61 CO 0.50 -0.48 0.00 0.09 -1.40 0.00 0.00 179.01 177.72 1a3b n ASN 62 N -5.49 0.00 0.17 1.42 3.02 -1.26 -1.95 115.26 111.17 1a3b n ASN 62 Ca -0.09 -0.47 0.10 0.00 -0.03 0.00 0.00 54.58 54.10 1a3b n ASN 62 Cb 0.41 -0.00 0.09 0.00 -0.61 0.00 0.00 39.78 39.66 1a3b n ASN 62 CO 0.00 0.00 0.00 0.44 -2.62 0.00 0.00 177.26 175.08 1a3b h ASP 63 N 0.00 0.00 -1.94 6.41 3.32 -1.87 -3.47 116.42 118.87 1a3b h ASP 63 Ca 0.00 0.00 -0.61 0.00 0.02 0.00 0.00 57.03 56.44 1a3b h ASP 63 Cb 0.00 0.00 -0.13 0.00 0.22 0.00 0.00 39.33 39.42 1a3b h ASP 63 CO 0.00 0.07 -0.63 -0.76 -1.72 0.00 0.00 179.24 176.19 1a3b s LEU 64 N -5.94 2.76 0.03 1.55 1.43 -0.82 -2.04 118.68 115.65 1a3b s LEU 64 Ca 0.04 -1.30 -0.06 0.00 -1.03 0.00 0.00 54.13 51.79 1a3b s LEU 64 Cb 0.07 -0.89 -0.01 0.00 0.03 0.00 0.00 46.19 45.39 1a3b s LEU 64 CO 0.72 -0.36 0.10 -0.76 0.23 0.00 0.00 176.35 176.28 1a3b s LEU 65 N -3.64 1.78 -0.15 1.79 1.43 -0.44 -4.51 118.68 114.94 1a3b s LEU 65 Ca 0.34 -0.50 0.02 0.00 -1.03 0.00 0.00 54.13 52.96 1a3b s LEU 65 Cb 0.07 0.60 0.01 0.00 0.03 0.00 0.00 46.19 46.90 1a3b s LEU 65 CO 0.17 -0.49 -0.21 -0.69 0.23 0.00 0.00 176.35 175.35 1a3b s VAL 66 N -2.46 2.09 -0.29 -1.59 1.01 0.49 -1.48 120.40 118.17 1a3b s VAL 66 Ca -0.06 -0.96 -0.05 0.00 0.00 0.00 0.00 61.98 60.90 1a3b s VAL 66 Cb -0.02 -1.84 0.02 0.00 0.00 0.00 0.00 36.38 34.54 1a3b s VAL 66 CO -0.04 0.55 0.04 -0.13 0.00 0.00 0.00 175.10 175.52 1a3b s ARG 67 N 0.89 2.90 -0.01 2.72 0.52 -0.33 -0.20 118.95 125.45 1a3b s ARG 67 Ca -0.05 -0.97 0.04 0.00 -0.52 0.00 0.00 55.73 54.24 1a3b s ARG 67 Cb -0.15 -3.27 -0.03 0.00 0.52 0.00 0.00 34.95 32.02 1a3b s ARG 67 CO -0.04 -0.48 -0.13 0.42 0.02 0.00 0.00 175.30 175.10 1a3b s ILE 68 N 1.42 3.20 0.00 1.52 1.01 -0.07 -1.34 121.20 126.94 1a3b s ILE 68 Ca 0.01 -0.85 0.00 0.00 0.00 0.00 0.00 60.65 59.81 1a3b s ILE 68 Cb -0.18 -2.32 0.00 0.00 0.01 0.00 0.00 42.46 39.97 1a3b s ILE 68 CO 0.00 0.46 0.00 0.61 0.00 0.00 0.00 174.94 176.02 1a3b n GLY 69 N 1.87 0.57 3.90 6.18 0.00 -1.25 -0.31 105.19 116.16 1a3b n GLY 69 Ca -0.16 -0.82 -0.28 0.00 0.00 0.00 0.00 46.02 44.76 1a3b n GLY 69 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1a3b s LYS 70 N -2.18 3.57 0.24 1.61 1.02 -1.26 -4.23 119.74 118.50 1a3b s LYS 70 Ca 0.00 0.30 0.00 0.00 0.02 0.00 0.00 55.97 56.29 1a3b s LYS 70 Cb 0.00 -2.33 0.00 0.00 -0.52 0.00 0.00 37.83 34.98 1a3b s LYS 70 CO 0.00 -0.24 0.00 1.58 -0.92 0.00 0.00 175.35 175.77 1a3b n HIS 71 N -2.26 -1.95 -2.21 3.18 -0.00 -1.26 -4.95 115.22 105.77 1a3b n HIS 71 Ca 0.01 0.34 -0.39 0.00 -0.00 0.00 0.00 57.72 57.68 1a3b n HIS 71 Cb 0.55 0.45 -0.02 0.00 -0.00 0.00 0.00 29.99 30.97 1a3b n HIS 71 CO 0.00 0.00 0.00 0.45 -0.00 0.00 0.00 176.34 176.79 1a3b s SER 72 N -5.22 6.65 -0.02 0.26 0.15 -1.26 0.28 113.70 114.54 1a3b s SER 72 Ca 0.00 2.50 -0.22 0.00 0.70 0.00 0.00 55.95 58.93 1a3b s SER 72 Cb 0.00 -2.63 -0.23 0.00 -1.71 0.00 0.00 66.02 61.45 1a3b s SER 72 CO 0.00 -0.60 1.08 -0.09 1.20 0.00 0.00 173.24 174.83 1a3b h ARG 73 N 3.02 0.30 0.00 5.44 2.43 -1.31 -3.41 114.38 120.85 1a3b h ARG 73 Ca -0.49 -0.30 -0.20 0.00 -0.81 0.00 0.00 59.98 58.19 1a3b h ARG 73 Cb 1.23 0.08 -0.04 0.00 -0.42 0.00 0.00 29.97 30.83 1a3b h ARG 73 CO 0.64 0.99 -1.94 0.25 -1.51 0.00 0.00 179.97 178.40 1a3b n THR 74 N -4.38 0.73 -2.50 0.20 -2.24 -1.26 -5.01 114.28 99.83 1a3b n THR 74 Ca -0.10 -0.56 -0.34 0.00 -2.27 0.00 0.00 64.05 60.79 1a3b n THR 74 Cb 0.57 -0.40 -0.03 0.00 -2.10 0.00 0.00 70.33 68.37 1a3b n THR 74 CO 0.00 0.00 0.00 -0.13 -0.57 0.00 0.00 175.07 174.37 1a3b s ARG 75 N -2.57 3.74 -0.46 -0.78 3.00 -1.26 -4.98 118.95 115.64 1a3b s ARG 75 Ca -0.07 1.38 -0.25 0.00 0.00 0.00 0.00 55.73 56.79 1a3b s ARG 75 Cb 0.06 -2.08 0.03 0.00 0.00 0.00 0.00 34.95 32.95 1a3b s ARG 75 CO 0.62 -0.48 0.90 -0.47 0.00 0.00 0.00 175.30 175.87 1a3b s TYR 76 N -1.98 2.94 -1.23 -0.53 5.04 -1.26 -4.90 117.35 115.43 1a3b s TYR 76 Ca 0.68 0.35 -0.15 0.00 -2.44 0.00 0.00 57.07 55.51 1a3b s TYR 76 Cb -0.17 -3.91 0.15 0.00 0.35 0.00 0.00 41.96 38.38 1a3b s TYR 76 CO 0.21 -1.07 1.51 -1.21 -1.34 0.00 0.00 175.55 173.65 1a3b s GLU 77 N 3.66 4.06 0.19 4.97 2.02 -1.26 -4.97 118.70 127.38 1a3b s GLU 77 Ca 0.36 -2.43 -0.33 0.00 0.02 0.00 0.00 54.97 52.59 1a3b s GLU 77 Cb -0.10 -5.18 -0.14 0.00 0.10 0.00 0.00 34.13 28.80 1a3b s GLU 77 CO 0.25 -1.89 1.40 -2.13 0.02 0.00 0.00 175.26 172.91 1a3b n ARG 77 N 6.35 1.83 -0.93 1.61 0.63 -1.26 -0.79 116.66 124.10 1a3b n ARG 77 Ca 0.40 0.65 0.00 0.00 -0.92 0.00 0.00 57.85 57.98 1a3b n ARG 77 Cb 0.44 -2.31 0.00 0.00 0.45 0.00 0.00 32.46 31.04 1a3b n ARG 77 CO 0.00 0.00 0.00 0.09 -2.51 0.00 0.00 177.63 175.21 1a3b n ASN 78 N 2.46 -2.97 0.06 6.15 5.03 -1.26 -4.75 115.26 119.99 1a3b n ASN 78 Ca 0.14 0.00 0.00 0.00 0.87 0.00 0.00 54.58 55.59 1a3b n ASN 78 Cb 0.28 -1.65 0.00 0.00 -1.02 0.00 0.00 39.78 37.40 1a3b n ASN 78 CO 0.00 0.00 0.00 -0.38 -1.83 0.00 0.00 177.26 175.05 1a3b n ILE 79 N -2.37 0.60 -2.73 2.41 5.41 -0.66 -5.07 119.36 116.95 1a3b n ILE 79 Ca 0.00 0.20 -0.35 0.00 1.00 0.00 0.00 62.75 63.60 1a3b n ILE 79 Cb 0.16 -1.07 -0.06 0.00 -0.71 0.00 0.00 39.64 37.95 1a3b n ILE 79 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 176.55 174.72 1a3b s GLU 80 N -1.72 4.25 -0.04 0.38 -1.05 0.03 -4.79 118.70 115.75 1a3b s GLU 80 Ca 0.00 1.26 0.06 0.00 -0.15 0.00 0.00 54.97 56.15 1a3b s GLU 80 Cb 0.00 -2.38 -0.02 0.00 -0.44 0.00 0.00 34.13 31.29 1a3b s GLU 80 CO 0.00 -0.02 -0.23 0.15 0.95 0.00 0.00 175.26 176.11 1a3b s LYS 81 N -2.80 2.37 -0.14 -4.83 -0.14 0.58 -4.86 119.74 109.91 1a3b s LYS 81 Ca 0.59 -0.87 -0.03 0.00 -1.36 0.00 0.00 55.97 54.31 1a3b s LYS 81 Cb -0.14 -2.16 -0.03 0.00 -1.68 0.00 0.00 37.83 33.82 1a3b s LYS 81 CO 0.19 0.50 -0.06 0.42 -0.76 0.00 0.00 175.35 175.65 1a3b s ILE 82 N -0.46 3.74 0.02 2.17 1.01 -1.26 -0.89 121.20 125.53 1a3b s ILE 82 Ca 0.05 -0.42 0.06 0.00 0.00 0.00 0.00 60.65 60.35 1a3b s ILE 82 Cb -0.11 -2.62 -0.02 0.00 0.01 0.00 0.00 42.46 39.72 1a3b s ILE 82 CO 0.01 0.51 -0.18 -0.44 0.00 0.00 0.00 174.94 174.84 1a3b s SER 83 N 0.23 2.17 0.31 3.58 0.01 0.72 -4.98 113.70 115.74 1a3b s SER 83 Ca -0.04 -0.43 -0.01 0.00 1.31 0.00 0.00 55.95 56.78 1a3b s SER 83 Cb -0.14 -0.19 -0.04 0.00 0.21 0.00 0.00 66.02 65.85 1a3b s SER 83 CO 0.03 0.16 0.52 -0.04 0.41 0.00 0.00 173.24 174.32 1a3b s MET 84 N -0.89 3.53 -0.08 12.44 -1.94 -1.26 -0.38 119.30 130.71 1a3b s MET 84 Ca 0.06 -0.25 -0.13 0.00 -1.71 0.00 0.00 55.69 53.66 1a3b s MET 84 Cb -0.08 -2.69 -0.05 0.00 2.01 0.00 0.00 34.83 34.02 1a3b s MET 84 CO 0.01 0.21 0.32 -0.51 -0.01 0.00 0.00 175.02 175.04 1a3b s LEU 85 N -3.97 4.38 -0.15 -0.03 1.43 -1.26 -1.55 118.68 117.53 1a3b s LEU 85 Ca 0.41 0.72 -0.10 0.00 -1.03 0.00 0.00 54.13 54.12 1a3b s LEU 85 Cb -0.10 -2.43 -0.24 0.00 0.03 0.00 0.00 46.19 43.45 1a3b s LEU 85 CO 0.33 0.25 0.31 1.21 0.23 0.00 0.00 176.35 178.69 1a3b n GLU 86 N 2.49 0.71 -3.59 1.70 2.13 0.13 -4.72 120.64 119.48 1a3b n GLU 86 Ca -0.14 0.34 -0.13 0.00 0.66 0.00 0.00 57.16 57.89 1a3b n GLU 86 Cb 0.53 -1.71 -0.06 0.00 0.27 0.00 0.00 31.44 30.46 1a3b n GLU 86 CO 0.00 0.00 0.00 0.21 -0.41 0.00 0.00 177.13 176.93 1a3b s LYS 87 N -2.51 0.77 -0.10 5.31 2.47 -1.13 -5.00 119.74 119.55 1a3b s LYS 87 Ca -0.24 0.56 -0.02 0.00 -1.56 0.00 0.00 55.97 54.70 1a3b s LYS 87 Cb 0.07 0.37 -0.03 0.00 -1.46 0.00 0.00 37.83 36.77 1a3b s LYS 87 CO 0.72 -0.16 -0.00 0.42 0.16 0.00 0.00 175.35 176.48 1a3b s ILE 88 N -0.32 4.28 -0.16 5.43 1.01 -1.26 -0.63 121.20 129.54 1a3b s ILE 88 Ca -0.02 -0.25 -0.01 0.00 0.00 0.00 0.00 60.65 60.37 1a3b s ILE 88 Cb -0.03 -2.82 0.04 0.00 0.01 0.00 0.00 42.46 39.67 1a3b s ILE 88 CO 0.02 0.58 -0.03 -0.31 0.00 0.00 0.00 174.94 175.19 1a3b s TYR 89 N -0.63 1.49 -0.12 3.97 1.51 0.76 -5.01 117.35 119.32 1a3b s TYR 89 Ca 0.10 -0.95 -0.05 0.00 -1.01 0.00 0.00 57.07 55.16 1a3b s TYR 89 Cb -0.12 -1.21 -0.04 0.00 -0.11 0.00 0.00 41.96 40.48 1a3b s TYR 89 CO 0.02 -0.58 0.07 0.42 -1.11 0.00 0.00 175.55 174.36 1a3b s ILE 90 N 1.70 4.86 0.17 2.71 1.01 -1.26 -0.17 121.20 130.23 1a3b s ILE 90 Ca 0.01 -0.03 -0.33 0.00 0.00 0.00 0.00 60.65 60.30 1a3b s ILE 90 Cb -0.15 -3.10 -0.15 0.00 0.01 0.00 0.00 42.46 39.06 1a3b s ILE 90 CO -0.07 0.59 1.25 1.57 0.00 0.00 0.00 174.94 178.27 1a3b n HIS 91 N 2.32 1.52 0.23 3.97 -0.00 -1.01 -4.83 115.22 117.42 1a3b n HIS 91 Ca -0.19 0.61 0.06 0.00 -0.00 0.00 0.00 57.72 58.20 1a3b n HIS 91 Cb 0.54 -2.33 0.52 0.00 -0.00 0.00 0.00 29.99 28.71 1a3b n HIS 91 CO 0.00 0.00 0.00 -1.00 -0.00 0.00 0.00 176.34 175.34 1a3b h PRO 92 N 3.82 0.00 -0.69 1.57 0.13 -1.94 -1.76 132.00 133.13 1a3b h PRO 92 Ca -0.44 0.00 -0.39 0.00 -0.87 0.00 0.00 66.00 64.30 1a3b h PRO 92 Cb 1.33 0.00 -0.22 0.00 0.13 0.00 0.00 31.00 32.23 1a3b h PRO 92 CO 0.73 0.18 0.25 0.54 -0.23 0.00 0.00 178.00 179.47 1a3b n ARG 93 N -4.28 2.19 -1.98 0.86 1.74 -1.26 -4.99 116.66 108.95 1a3b n ARG 93 Ca -0.02 -3.20 -0.42 0.00 -0.77 0.00 0.00 57.85 53.43 1a3b n ARG 93 Cb 0.25 -2.03 -0.03 0.00 -1.02 0.00 0.00 32.46 29.62 1a3b n ARG 93 CO 0.00 0.00 0.00 -0.47 -1.52 0.00 0.00 177.63 175.64 1a3b s TYR 94 N -3.36 2.18 -0.88 -1.55 5.04 -0.66 -4.70 117.35 113.41 1a3b s TYR 94 Ca 0.52 0.26 -0.14 0.00 -2.44 0.00 0.00 57.07 55.27 1a3b s TYR 94 Cb 0.45 -3.93 0.22 0.00 0.35 0.00 0.00 41.96 39.05 1a3b s TYR 94 CO 0.04 -3.82 0.86 1.21 -1.34 0.00 0.00 175.55 172.50 1a3b s ASN 95 N 2.93 6.83 0.16 4.32 3.84 0.30 -4.82 114.94 128.51 1a3b s ASN 95 Ca 0.73 -2.76 0.24 0.00 0.21 0.00 0.00 52.86 51.29 1a3b s ASN 95 Cb -0.36 -2.23 0.43 0.00 -0.55 0.00 0.00 41.25 38.54 1a3b s ASN 95 CO 0.31 -0.58 1.42 4.11 -2.79 0.00 0.00 177.10 179.57 1a3b h TRP 96 N 7.71 0.00 -0.14 0.43 5.08 -1.92 0.25 115.95 127.36 1a3b h TRP 96 Ca 0.13 0.00 -0.17 0.00 1.08 0.00 0.00 58.89 59.93 1a3b h TRP 96 Cb 1.01 0.00 -0.00 0.00 -3.00 0.00 0.00 29.16 27.17 1a3b h TRP 96 CO 1.02 0.00 -0.62 0.00 -1.28 0.00 0.00 178.44 177.55 1a3b h ARG 97 N 0.00 0.51 0.00 0.12 3.08 -2.00 -3.45 114.38 112.65 1a3b h ARG 97 Ca 0.00 -0.36 0.00 0.00 0.07 0.00 0.00 59.98 59.69 1a3b h ARG 97 Cb 0.78 0.06 0.00 0.00 0.08 0.00 0.00 29.97 30.88 1a3b h ARG 97 CO 0.00 0.97 0.00 -1.91 -1.07 0.00 0.00 179.97 177.96 1a3b n GLU 97 N -3.92 0.00 -0.27 0.04 2.13 -1.25 -5.01 120.64 112.37 1a3b n GLU 97 Ca -0.04 0.00 0.07 0.00 0.66 0.00 0.00 57.16 57.85 1a3b n GLU 97 Cb 0.65 -0.01 0.10 0.00 0.27 0.00 0.00 31.44 32.44 1a3b n GLU 97 CO 0.00 0.00 0.00 0.27 -0.41 0.00 0.00 177.13 176.99 1a3b n ASN 98 N -1.26 1.57 -2.04 4.31 0.23 -1.24 -5.00 115.26 111.84 1a3b n ASN 98 Ca 0.00 -2.78 -0.18 0.00 -0.53 0.00 0.00 54.58 51.09 1a3b n ASN 98 Cb 0.00 -0.36 -0.02 0.00 -2.08 0.00 0.00 39.78 37.32 1a3b n ASN 98 CO 0.00 0.00 0.00 0.18 -0.93 0.00 0.00 177.26 176.51 1a3b n LEU 99 N -0.94 -1.79 -4.73 -4.53 4.77 0.87 -4.93 117.00 105.72 1a3b n LEU 99 Ca 0.11 0.03 -0.42 0.00 -0.03 0.00 0.00 56.01 55.71 1a3b n LEU 99 Cb 0.67 -2.65 -0.02 0.00 -2.33 0.00 0.00 43.42 39.09 1a3b n LEU 99 CO 0.00 -0.28 1.26 -0.62 -1.33 0.00 0.00 177.39 176.43 1a3b s ASP 100 N -2.23 6.45 -1.00 -1.43 2.15 -1.19 -2.48 116.67 116.93 1a3b s ASP 100 Ca 0.00 2.83 -0.00 0.00 0.43 0.00 0.00 52.55 55.81 1a3b s ASP 100 Cb 0.00 -2.62 0.00 0.00 -0.30 0.00 0.00 42.92 40.01 1a3b s ASP 100 CO 0.00 -0.89 0.84 0.54 -0.17 0.00 0.00 175.17 175.49 1a3b n ARG 101 N 3.07 -5.56 -2.57 4.34 1.74 -1.26 -0.54 116.66 115.89 1a3b n ARG 101 Ca 0.11 0.70 -0.43 0.00 -0.77 0.00 0.00 57.85 57.47 1a3b n ARG 101 Cb 0.37 -5.29 -0.00 0.00 -1.02 0.00 0.00 32.46 26.52 1a3b n ARG 101 CO 0.00 0.00 0.00 0.34 -1.52 0.00 0.00 177.63 176.45 1a3b s ASP 102 N -4.08 6.81 -0.02 0.55 2.15 -1.04 -4.37 116.67 116.67 1a3b s ASP 102 Ca 0.03 -2.44 -0.17 0.00 0.43 0.00 0.00 52.55 50.40 1a3b s ASP 102 Cb -0.01 -2.58 0.03 0.00 -0.30 0.00 0.00 42.92 40.06 1a3b s ASP 102 CO 0.61 -1.21 0.37 -0.51 -0.17 0.00 0.00 175.17 174.26 1a3b s ILE 103 N 4.36 0.05 -0.04 4.11 2.07 -1.26 -3.96 121.20 126.53 1a3b s ILE 103 Ca 0.54 -0.40 -0.30 0.00 -1.41 0.00 0.00 60.65 59.08 1a3b s ILE 103 Cb 0.04 -0.68 0.08 0.00 0.13 0.00 0.00 42.46 42.03 1a3b s ILE 103 CO 0.08 -0.22 0.71 0.00 -1.91 0.00 0.00 174.94 173.60 1a3b s ALA 104 N -1.32 -1.77 0.09 1.50 0.00 -0.09 -2.41 121.76 117.75 1a3b s ALA 104 Ca -0.13 1.25 0.08 0.00 0.00 0.00 0.00 51.96 53.17 1a3b s ALA 104 Cb -0.04 0.03 -0.04 0.00 0.00 0.00 0.00 23.12 23.07 1a3b s ALA 104 CO 0.05 -0.41 -0.19 -0.51 0.00 0.00 0.00 175.76 174.70 1a3b s LEU 105 N -1.37 2.62 -0.12 0.00 1.43 0.76 -1.44 118.68 120.57 1a3b s LEU 105 Ca -0.08 -0.52 -0.01 0.00 -1.03 0.00 0.00 54.13 52.49 1a3b s LEU 105 Cb -0.00 -1.51 0.03 0.00 0.03 0.00 0.00 46.19 44.74 1a3b s LEU 105 CO 0.06 0.21 -0.06 -0.04 0.23 0.00 0.00 176.35 176.76 1a3b s MET 106 N -1.84 1.32 -0.12 1.70 -1.94 0.21 -0.17 119.30 118.47 1a3b s MET 106 Ca 0.16 -0.23 -0.21 0.00 -1.71 0.00 0.00 55.69 53.70 1a3b s MET 106 Cb -0.10 -1.55 -0.04 0.00 2.01 0.00 0.00 34.83 35.15 1a3b s MET 106 CO 0.08 -0.31 0.61 0.21 -0.01 0.00 0.00 175.02 175.60 1a3b s LYS 107 N 1.75 4.35 0.36 2.03 2.20 0.19 -1.35 119.74 129.28 1a3b s LYS 107 Ca 0.04 0.67 -0.24 0.00 -0.36 0.00 0.00 55.97 56.08 1a3b s LYS 107 Cb -0.13 -3.48 -0.10 0.00 -1.51 0.00 0.00 37.83 32.61 1a3b s LYS 107 CO -0.08 0.01 0.95 -0.51 -0.36 0.00 0.00 175.35 175.37 1a3b s LEU 108 N 1.04 4.20 0.19 5.43 1.43 -0.11 0.19 118.68 131.05 1a3b s LEU 108 Ca 0.32 1.80 -0.12 0.00 -1.03 0.00 0.00 54.13 55.10 1a3b s LEU 108 Cb -0.16 -4.19 0.13 0.00 0.03 0.00 0.00 46.19 41.99 1a3b s LEU 108 CO 0.14 -0.19 1.84 0.11 0.23 0.00 0.00 176.35 178.47 1a3b h LYS 109 N 2.73 0.73 -4.21 1.70 1.57 -1.57 -3.42 116.57 114.10 1a3b h LYS 109 Ca -0.48 -0.04 -0.19 0.00 -1.87 0.00 0.00 60.65 58.07 1a3b h LYS 109 Cb 1.19 -0.16 -0.20 0.00 0.08 0.00 0.00 32.23 33.14 1a3b h LYS 109 CO 0.64 0.48 -0.71 0.15 -0.57 0.00 0.00 179.45 179.44 1a3b s LYS 110 N -6.14 0.44 0.41 3.15 1.02 -1.26 -4.99 119.74 112.38 1a3b s LYS 110 Ca -0.13 -0.78 -0.26 0.00 0.02 0.00 0.00 55.97 54.82 1a3b s LYS 110 Cb 0.14 0.00 -0.10 0.00 -0.52 0.00 0.00 37.83 37.35 1a3b s LYS 110 CO 0.75 -0.03 1.34 -0.35 -0.92 0.00 0.00 175.35 176.14 1a3b n PRO 111 N 1.25 2.13 -3.57 -1.68 -0.04 -1.26 -4.89 135.00 126.95 1a3b n PRO 111 Ca -0.22 0.76 -0.34 0.00 -0.04 0.00 0.00 63.50 63.66 1a3b n PRO 111 Cb 0.56 -2.48 -0.05 0.00 -0.04 0.00 0.00 33.50 31.49 1a3b n PRO 111 CO 0.00 0.00 0.00 0.54 -0.04 0.00 0.00 175.50 176.00 1a3b s VAL 112 N -1.17 5.08 -0.03 0.52 0.11 -0.05 -5.02 120.40 119.84 1a3b s VAL 112 Ca 0.59 0.43 -0.26 0.00 -2.93 0.00 0.00 61.98 59.82 1a3b s VAL 112 Cb -0.50 -3.65 -0.04 0.00 -1.53 0.00 0.00 36.38 30.67 1a3b s VAL 112 CO 0.59 0.25 0.80 0.00 -3.33 0.00 0.00 175.10 173.42 1a3b s ALA 113 N -1.43 3.28 0.53 1.54 0.00 -1.26 -4.82 121.76 119.59 1a3b s ALA 113 Ca 0.34 0.29 -0.19 0.00 0.00 0.00 0.00 51.96 52.40 1a3b s ALA 113 Cb -0.14 -3.09 -0.06 0.00 0.00 0.00 0.00 23.12 19.83 1a3b s ALA 113 CO 0.19 -0.12 1.08 -0.06 0.00 0.00 0.00 175.76 176.85 1a3b s PHE 114 N 0.73 2.86 0.00 0.00 0.08 -1.26 -4.88 117.98 115.50 1a3b s PHE 114 Ca 0.42 1.55 0.00 0.00 0.12 0.00 0.00 56.93 59.03 1a3b s PHE 114 Cb -0.19 -3.14 0.00 0.00 -0.57 0.00 0.00 43.02 39.11 1a3b s PHE 114 CO 0.22 -1.18 0.00 -1.13 -0.10 0.00 0.00 175.22 173.03 1a3b n SER 115 N -1.31 0.00 0.29 1.36 3.41 -0.26 -4.95 113.62 112.16 1a3b n SER 115 Ca 0.10 -0.71 0.18 0.00 -0.26 0.00 0.00 58.87 58.18 1a3b n SER 115 Cb 0.52 0.00 0.80 0.00 -0.26 0.00 0.00 64.21 65.27 1a3b n SER 115 CO 0.00 0.00 0.00 0.44 -0.16 0.00 0.00 175.04 175.32 1a3b h ASP 116 N 0.00 0.00 -0.01 4.04 3.32 -1.99 -3.04 116.42 118.75 1a3b h ASP 116 Ca 0.00 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 1a3b h ASP 116 Cb 0.00 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.55 1a3b h ASP 116 CO 0.00 0.02 -0.10 -1.22 -1.72 0.00 0.00 179.24 176.22 1a3b n TYR 117 N -3.14 0.00 -3.84 4.55 4.01 -1.26 -4.73 117.16 112.74 1a3b n TYR 117 Ca -0.00 0.00 -0.24 0.00 -0.16 0.00 0.00 57.90 57.49 1a3b n TYR 117 Cb 0.25 0.00 -0.17 0.00 -0.31 0.00 0.00 39.34 39.11 1a3b n TYR 117 CO 0.00 0.00 0.00 0.42 -0.46 0.00 0.00 176.86 176.82 1a3b s ILE 118 N -0.92 0.63 -0.26 -0.72 1.01 -1.15 -4.07 121.20 115.72 1a3b s ILE 118 Ca 0.06 -0.04 -0.26 0.00 0.00 0.00 0.00 60.65 60.41 1a3b s ILE 118 Cb 0.05 -0.73 0.12 0.00 0.01 0.00 0.00 42.46 41.92 1a3b s ILE 118 CO 0.14 0.30 1.03 -2.28 0.00 0.00 0.00 174.94 174.13 1a3b s HIS 119 N 1.82 -0.45 0.42 3.97 2.46 -0.74 -1.10 115.29 121.66 1a3b s HIS 119 Ca 0.04 1.06 -0.14 0.00 0.47 0.00 0.00 55.06 56.49 1a3b s HIS 119 Cb -0.12 0.38 -0.08 0.00 -0.13 0.00 0.00 32.58 32.62 1a3b s HIS 119 CO -0.06 -0.25 0.84 -1.25 -2.47 0.00 0.00 174.74 171.56 1a3b s PRO 120 N -0.01 3.93 0.34 2.88 0.04 -1.26 -2.17 135.00 138.75 1a3b s PRO 120 Ca 0.02 0.73 -0.00 0.00 0.04 0.00 0.00 61.00 61.79 1a3b s PRO 120 Cb -0.04 -2.30 -0.04 0.00 0.04 0.00 0.00 34.50 32.16 1a3b s PRO 120 CO -0.05 -0.06 0.55 0.54 0.04 0.00 0.00 177.00 178.03 1a3b s VAL 121 N -2.33 5.09 0.36 -0.36 0.11 -0.54 -4.91 120.40 117.81 1a3b s VAL 121 Ca 0.55 -0.36 -0.07 0.00 -2.93 0.00 0.00 61.98 59.17 1a3b s VAL 121 Cb -0.10 -3.84 -0.05 0.00 -1.53 0.00 0.00 36.38 30.86 1a3b s VAL 121 CO 0.26 -0.53 0.66 0.00 -3.33 0.00 0.00 175.10 172.16 1a3b s LEU 123 N -3.83 3.08 0.27 0.00 1.43 -1.26 -0.57 118.68 117.80 1a3b s LEU 123 Ca 0.47 -0.16 -0.29 0.00 -1.03 0.00 0.00 54.13 53.12 1a3b s LEU 123 Cb -0.10 -1.71 -0.10 0.00 0.03 0.00 0.00 46.19 44.31 1a3b s LEU 123 CO 0.32 0.22 1.23 -2.16 0.23 0.00 0.00 176.35 176.20 1a3b s PRO 124 N 0.05 4.46 0.85 1.29 0.04 -1.26 -4.93 135.00 135.50 1a3b s PRO 124 Ca -0.02 2.02 -0.10 0.00 0.04 0.00 0.00 61.00 62.95 1a3b s PRO 124 Cb -0.14 -3.15 0.16 0.00 0.04 0.00 0.00 34.50 31.41 1a3b s PRO 124 CO 0.03 -0.07 1.18 0.16 0.04 0.00 0.00 177.00 178.34 1a3b s ASP 125 N -0.36 3.74 0.20 6.66 1.47 -1.26 -4.86 116.67 122.26 1a3b s ASP 125 Ca 0.50 0.12 -0.11 0.00 1.18 0.00 0.00 52.55 54.24 1a3b s ASP 125 Cb -0.36 -0.35 0.17 0.00 -0.34 0.00 0.00 42.92 42.03 1a3b s ASP 125 CO 0.44 -2.30 1.84 -0.09 0.68 0.00 0.00 175.17 175.75 1a3b h ARG 126 N -1.16 0.80 -0.16 2.11 2.43 -1.97 -3.12 114.38 113.31 1a3b h ARG 126 Ca -0.42 -0.05 -0.03 0.00 -0.81 0.00 0.00 59.98 58.68 1a3b h ARG 126 Cb 1.26 -0.18 -0.01 0.00 -0.42 0.00 0.00 29.97 30.62 1a3b h ARG 126 CO 0.42 0.53 0.00 1.49 -1.51 0.00 0.00 179.97 180.91 1a3b h GLU 127 N 0.83 0.29 -0.73 0.20 4.22 -2.04 0.68 114.58 118.03 1a3b h GLU 127 Ca 0.27 -0.09 0.00 0.00 0.08 0.00 0.00 59.36 59.61 1a3b h GLU 127 Cb 0.00 -0.03 0.00 0.00 0.50 0.00 0.00 28.75 29.23 1a3b h GLU 127 CO -0.10 0.50 0.00 2.41 -2.18 0.00 0.00 179.01 179.64 1a3b n THR 128 N -4.74 0.01 0.00 0.32 -1.04 -1.18 -0.32 114.28 107.33 1a3b n THR 128 Ca -0.05 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 61.96 1a3b n THR 128 Cb 0.22 -0.20 0.00 0.00 -1.82 0.00 0.00 70.33 68.53 1a3b n THR 128 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1a3b n ALA 129 N 0.66 0.00 0.10 2.41 0.00 0.23 -1.39 120.51 122.52 1a3b n ALA 129 Ca 0.00 0.00 -0.16 0.00 0.00 0.00 0.00 53.44 53.28 1a3b n ALA 129 Cb 0.01 0.00 -0.14 0.00 0.00 0.00 0.00 19.45 19.32 1a3b n ALA 129 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.50 178.16 1a3b h SER 129 N 0.00 0.43 0.00 0.00 4.64 -0.92 -3.40 113.55 114.30 1a3b h SER 129 Ca 0.00 -0.47 -0.25 0.00 -0.47 0.00 0.00 61.79 60.60 1a3b h SER 129 Cb 0.00 -0.14 -0.05 0.00 -0.31 0.00 0.00 62.40 61.90 1a3b h SER 129 CO 0.00 1.37 -2.09 0.18 -0.87 0.00 0.00 176.83 175.42 1a3b n LEU 129 N -3.53 0.00 -3.83 5.97 4.77 -0.49 -4.69 117.00 115.21 1a3b n LEU 129 Ca -0.09 0.00 -0.42 0.00 -0.03 0.00 0.00 56.01 55.46 1a3b n LEU 129 Cb 1.03 0.34 0.00 0.00 -2.33 0.00 0.00 43.42 42.46 1a3b n LEU 129 CO 0.54 0.34 2.48 0.18 -1.33 0.00 0.00 177.39 179.60 1a3b n LEU 130 N -2.53 6.67 -4.19 2.23 4.77 -1.26 -4.80 117.00 117.89 1a3b n LEU 130 Ca -0.23 -4.23 -0.24 0.00 -0.03 0.00 0.00 56.01 51.28 1a3b n LEU 130 Cb 0.94 -1.63 -0.15 0.00 -2.33 0.00 0.00 43.42 40.26 1a3b n LEU 130 CO 0.36 1.09 -0.50 -1.10 -1.33 0.00 0.00 177.39 175.91 1a3b s GLN 131 N 2.71 1.31 0.12 3.23 -0.21 -1.26 -4.94 119.66 120.62 1a3b s GLN 131 Ca 0.46 -0.74 -0.34 0.00 0.02 0.00 0.00 55.36 54.76 1a3b s GLN 131 Cb 0.12 -1.33 -0.14 0.00 1.00 0.00 0.00 33.01 32.67 1a3b s GLN 131 CO -0.06 0.35 1.58 0.00 -2.12 0.00 0.00 175.29 175.04 1a3b n ALA 132 N 2.28 0.98 0.00 6.09 0.00 -1.26 -1.68 120.51 126.91 1a3b n ALA 132 Ca -0.16 0.44 0.00 0.00 0.00 0.00 0.00 53.44 53.72 1a3b n ALA 132 Cb 0.54 -2.33 0.00 0.00 0.00 0.00 0.00 19.45 17.66 1a3b n ALA 132 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1a3b n GLY 133 N 3.40 2.94 3.75 0.00 0.00 -0.24 -4.96 105.19 110.07 1a3b n GLY 133 Ca 0.18 -0.85 -0.41 0.00 0.00 0.00 0.00 46.02 44.93 1a3b n GLY 133 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1a3b s TYR 134 N -0.82 2.94 -0.01 1.61 1.51 -0.68 -4.56 117.35 117.35 1a3b s TYR 134 Ca 0.00 0.93 -0.05 0.00 -1.01 0.00 0.00 57.07 56.94 1a3b s TYR 134 Cb 0.00 -3.90 -0.04 0.00 -0.11 0.00 0.00 41.96 37.90 1a3b s TYR 134 CO 0.00 -2.99 0.23 0.15 -1.11 0.00 0.00 175.55 171.83 1a3b s LYS 135 N -0.35 3.53 0.53 -0.62 1.02 -1.26 -0.73 119.74 121.85 1a3b s LYS 135 Ca 0.61 -0.15 0.01 0.00 0.02 0.00 0.00 55.97 56.46 1a3b s LYS 135 Cb -0.44 -3.09 -0.00 0.00 -0.52 0.00 0.00 37.83 33.78 1a3b s LYS 135 CO 0.44 0.67 0.04 0.20 -0.92 0.00 0.00 175.35 175.78 1a3b s GLY 136 N -1.71 3.02 -0.05 -3.33 0.00 -0.22 -4.85 107.32 100.18 1a3b s GLY 136 Ca 0.26 -0.25 0.01 0.00 0.00 0.00 0.00 44.72 44.75 1a3b s GLY 136 CO 0.16 -2.19 -0.06 -1.60 0.00 0.00 0.00 173.10 169.41 1a3b s ARG 137 N -3.94 0.98 -0.06 2.90 3.52 0.19 -1.29 118.95 121.26 1a3b s ARG 137 Ca 0.05 -0.16 0.04 0.00 -0.13 0.00 0.00 55.73 55.53 1a3b s ARG 137 Cb 0.00 -0.94 -0.02 0.00 -1.56 0.00 0.00 34.95 32.43 1a3b s ARG 137 CO 0.03 -0.06 -0.17 0.08 -0.81 0.00 0.00 175.30 174.37 1a3b s VAL 138 N 0.88 2.79 0.06 7.11 1.01 -0.38 -0.37 120.40 131.49 1a3b s VAL 138 Ca -0.12 -0.81 0.04 0.00 0.00 0.00 0.00 61.98 61.10 1a3b s VAL 138 Cb -0.15 -2.09 -0.03 0.00 0.00 0.00 0.00 36.38 34.12 1a3b s VAL 138 CO 0.01 0.57 -0.12 0.42 0.00 0.00 0.00 175.10 175.98 1a3b s THR 139 N -0.41 0.88 0.00 3.92 -4.23 -1.23 -1.77 115.64 112.80 1a3b s THR 139 Ca 0.04 -1.17 0.00 0.00 -1.18 0.00 0.00 61.69 59.38 1a3b s THR 139 Cb -0.12 -0.88 0.00 0.00 1.34 0.00 0.00 72.50 72.84 1a3b s THR 139 CO 0.02 -0.26 0.00 0.61 -0.54 0.00 0.00 174.62 174.45 1a3b n GLY 140 N 1.44 0.56 0.95 3.99 0.00 -0.93 -4.44 105.19 106.76 1a3b n GLY 140 Ca -0.21 -0.89 0.08 0.00 0.00 0.00 0.00 46.02 44.99 1a3b n GLY 140 CO 0.00 0.00 0.00 0.79 0.00 0.00 0.00 173.32 174.11 1a3b n TRP 141 N -0.20 0.90 -0.79 1.61 8.01 -1.26 -1.70 117.44 124.01 1a3b n TRP 141 Ca 0.00 -0.70 -0.30 0.00 -1.31 0.00 0.00 57.50 55.19 1a3b n TRP 141 Cb 0.00 -0.21 0.26 0.00 -2.01 0.00 0.00 31.31 29.35 1a3b n TRP 141 CO 0.00 0.00 0.00 0.20 -1.01 0.00 0.00 177.69 176.88 1a3b s GLY 142 N -1.41 1.52 0.61 6.99 0.00 -1.26 -4.52 107.32 109.24 1a3b s GLY 142 Ca 0.37 -0.93 -0.18 0.00 0.00 0.00 0.00 44.72 43.98 1a3b s GLY 142 CO 0.14 0.02 0.98 0.70 0.00 0.00 0.00 173.10 174.95 1a3b n ASN 143 N -5.16 0.83 0.04 1.64 3.02 -0.11 -3.08 115.26 112.44 1a3b n ASN 143 Ca 0.13 0.80 0.12 0.00 -0.03 0.00 0.00 54.58 55.60 1a3b n ASN 143 Cb 0.60 -1.40 0.18 0.00 -0.61 0.00 0.00 39.78 38.54 1a3b n ASN 143 CO 0.00 0.00 0.00 0.18 -2.62 0.00 0.00 177.26 174.82 1a3b n LEU 144 N -0.88 0.62 0.00 3.41 4.77 0.25 -0.45 117.00 124.73 1a3b n LEU 144 Ca 0.14 0.13 0.00 0.00 -0.03 0.00 0.00 56.01 56.25 1a3b n LEU 144 Cb 0.48 -0.19 0.00 0.00 -2.33 0.00 0.00 43.42 41.37 1a3b n LEU 144 CO 0.49 0.01 0.00 2.29 -1.33 0.00 0.00 177.39 178.85 1a3b n LYS 145 N -1.91 0.00 -0.08 3.23 2.85 -1.26 -4.22 118.16 116.76 1a3b n LYS 145 Ca 0.04 0.00 -0.09 0.00 -1.05 0.00 0.00 58.31 57.21 1a3b n LYS 145 Cb 0.41 0.00 -0.03 0.00 -0.65 0.00 0.00 35.03 34.76 1a3b n LYS 145 CO 0.00 0.00 0.00 -1.91 -0.05 0.00 0.00 177.40 175.44 1a3b n GLU 146 N 0.00 0.49 0.07 -1.58 2.13 -1.26 -4.89 120.64 115.61 1a3b n GLU 146 Ca 0.00 0.42 -0.21 0.00 0.66 0.00 0.00 57.16 58.03 1a3b n GLU 146 Cb 0.00 -1.61 -0.14 0.00 0.27 0.00 0.00 31.44 29.97 1a3b n GLU 146 CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72 1a3b h THR 147 N -1.00 1.38 0.00 6.31 1.03 -2.00 -3.52 112.91 115.12 1a3b h THR 147 Ca -0.07 -2.46 0.00 0.00 -0.01 0.00 0.00 66.41 63.87 1a3b h THR 147 Cb 0.80 2.90 0.00 0.00 -1.07 0.00 0.00 68.15 70.78 1a3b h THR 147 CO -0.04 0.72 0.00 2.29 -0.01 0.00 0.00 175.52 178.48 1a3b n LYS 149 N -3.96 3.65 0.00 0.00 -0.00 -1.26 -5.11 118.16 111.48 1a3b n LYS 149 Ca -0.14 0.00 0.00 0.00 -0.00 0.00 0.00 58.31 58.17 1a3b n LYS 149 Cb 0.90 0.00 0.00 0.00 -0.00 0.00 0.00 35.03 35.93 1a3b n LYS 149 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.40 177.81 1a3b n GLY 150 N 0.00 0.53 3.32 2.58 0.00 -1.26 -4.24 105.19 106.11 1a3b n GLY 150 Ca 0.00 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.74 1a3b n GLY 150 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 1a3b s GLN 151 N -0.31 1.57 0.74 1.61 2.00 -1.26 -0.59 119.66 123.42 1a3b s GLN 151 Ca 0.00 -1.09 -0.11 0.00 -2.00 0.00 0.00 55.36 52.16 1a3b s GLN 151 Cb 0.00 -1.78 0.04 0.00 0.80 0.00 0.00 33.01 32.07 1a3b s GLN 151 CO 0.00 0.45 1.08 -1.25 -0.50 0.00 0.00 175.29 175.07 1a3b s PRO 152 N -1.37 2.52 0.09 1.67 0.04 -1.26 -4.94 135.00 131.75 1a3b s PRO 152 Ca 0.10 1.05 -0.01 0.00 0.04 0.00 0.00 61.00 62.19 1a3b s PRO 152 Cb -0.10 -1.94 -0.26 0.00 0.04 0.00 0.00 34.50 32.25 1a3b s PRO 152 CO 0.03 -1.42 1.19 1.03 0.04 0.00 0.00 177.00 177.86 1a3b h SER 153 N -0.96 0.28 -4.81 6.66 0.87 -1.97 -3.42 113.55 110.20 1a3b h SER 153 Ca -0.44 -0.30 -0.25 0.00 -1.23 0.00 0.00 61.79 59.57 1a3b h SER 153 Cb 1.22 -0.09 -0.15 0.00 -0.44 0.00 0.00 62.40 62.94 1a3b h SER 153 CO 0.54 1.24 -0.66 0.68 -0.53 0.00 0.00 176.83 178.10 1a3b s VAL 154 N -2.68 0.49 0.08 2.23 -7.23 -1.26 -0.98 120.40 111.05 1a3b s VAL 154 Ca -0.02 -1.95 -0.37 0.00 -1.81 0.00 0.00 61.98 57.83 1a3b s VAL 154 Cb 0.08 -2.07 -0.18 0.00 0.56 0.00 0.00 36.38 34.78 1a3b s VAL 154 CO 0.86 -0.50 1.17 -0.11 -0.31 0.00 0.00 175.10 176.22 1a3b n LEU 155 N -0.18 0.91 -4.77 1.32 7.94 0.14 -4.81 117.00 117.55 1a3b n LEU 155 Ca -0.07 1.14 -0.27 0.00 -1.11 0.00 0.00 56.01 55.70 1a3b n LEU 155 Cb 0.63 -1.09 -0.06 0.00 0.53 0.00 0.00 43.42 43.43 1a3b n LEU 155 CO 0.32 -1.49 -0.25 -1.10 -1.11 0.00 0.00 177.39 173.77 1a3b s GLN 156 N 0.08 2.81 0.01 1.96 -1.52 -0.69 -0.43 119.66 121.88 1a3b s GLN 156 Ca 0.83 -0.88 -0.01 0.00 -1.95 0.00 0.00 55.36 53.35 1a3b s GLN 156 Cb -1.04 -2.61 -0.01 0.00 -0.22 0.00 0.00 33.01 29.13 1a3b s GLN 156 CO 0.52 0.49 -0.01 0.08 -0.25 0.00 0.00 175.29 176.12 1a3b s VAL 157 N -1.69 0.08 -0.26 1.09 1.01 0.08 -2.18 120.40 118.54 1a3b s VAL 157 Ca 0.30 -0.70 -0.20 0.00 0.00 0.00 0.00 61.98 61.38 1a3b s VAL 157 Cb -0.10 -0.23 0.07 0.00 0.00 0.00 0.00 36.38 36.12 1a3b s VAL 157 CO 0.22 -0.38 0.67 0.54 0.00 0.00 0.00 175.10 176.15 1a3b s VAL 158 N -1.14 -0.00 -0.17 2.92 0.11 -0.73 -1.16 120.40 120.23 1a3b s VAL 158 Ca -0.12 0.00 -0.12 0.00 -2.93 0.00 0.00 61.98 58.81 1a3b s VAL 158 Cb -0.08 -0.95 -0.05 0.00 -1.53 0.00 0.00 36.38 33.78 1a3b s VAL 158 CO -0.01 0.00 0.23 0.20 -3.33 0.00 0.00 175.10 172.20 1a3b s ASN 159 N 0.88 6.36 -0.01 3.54 0.01 -1.26 -1.25 114.94 123.21 1a3b s ASN 159 Ca -0.04 0.42 0.00 0.00 -0.71 0.00 0.00 52.86 52.53 1a3b s ASN 159 Cb -0.05 -2.15 0.01 0.00 0.41 0.00 0.00 41.25 39.47 1a3b s ASN 159 CO -0.07 0.14 -0.01 -0.76 -1.51 0.00 0.00 177.10 174.89 1a3b s LEU 160 N 0.35 1.67 0.34 0.60 1.43 -0.41 -4.96 118.68 117.70 1a3b s LEU 160 Ca 0.14 -0.02 -0.26 0.00 -1.03 0.00 0.00 54.13 52.95 1a3b s LEU 160 Cb -0.12 -0.11 -0.09 0.00 0.03 0.00 0.00 46.19 45.89 1a3b s LEU 160 CO 0.02 -0.03 1.03 -2.16 0.23 0.00 0.00 176.35 175.44 1a3b s PRO 161 N 0.37 4.45 0.36 1.29 0.04 -1.26 -1.06 135.00 139.18 1a3b s PRO 161 Ca -0.03 1.54 -0.28 0.00 0.04 0.00 0.00 61.00 62.26 1a3b s PRO 161 Cb -0.06 -2.83 -0.10 0.00 0.04 0.00 0.00 34.50 31.56 1a3b s PRO 161 CO -0.01 0.11 1.31 0.42 0.04 0.00 0.00 177.00 178.87 1a3b s ILE 162 N -1.48 2.69 0.05 0.56 1.01 0.10 -0.69 121.20 123.44 1a3b s ILE 162 Ca 0.51 0.67 0.03 0.00 0.00 0.00 0.00 60.65 61.86 1a3b s ILE 162 Cb -0.24 -3.41 -0.04 0.00 0.01 0.00 0.00 42.46 38.78 1a3b s ILE 162 CO 0.30 0.14 0.02 -0.69 0.00 0.00 0.00 174.94 174.71 1a3b s VAL 163 N -1.18 4.19 0.33 2.92 1.01 -0.24 -1.08 120.40 126.34 1a3b s VAL 163 Ca 0.51 -0.80 -0.28 0.00 0.00 0.00 0.00 61.98 61.42 1a3b s VAL 163 Cb -0.39 -2.96 -0.13 0.00 0.00 0.00 0.00 36.38 32.91 1a3b s VAL 163 CO 0.52 0.21 1.26 -0.62 0.00 0.00 0.00 175.10 176.47 1a3b n GLU 164 N 0.84 2.01 -0.21 2.72 4.71 -1.26 -4.62 120.64 124.83 1a3b n GLU 164 Ca -0.12 0.70 0.04 0.00 -0.01 0.00 0.00 57.16 57.78 1a3b n GLU 164 Cb 0.52 -2.26 0.30 0.00 -1.01 0.00 0.00 31.44 28.99 1a3b n GLU 164 CO 0.00 0.00 0.00 -0.09 0.09 0.00 0.00 177.13 177.13 1a3b h ARG 165 N 2.59 0.86 -0.19 3.49 2.43 -1.98 -1.05 114.38 120.54 1a3b h ARG 165 Ca -0.45 -0.05 -0.09 0.00 -0.81 0.00 0.00 59.98 58.58 1a3b h ARG 165 Cb 1.29 -0.19 -0.01 0.00 -0.42 0.00 0.00 29.97 30.63 1a3b h ARG 165 CO 0.63 0.57 -0.28 -1.35 -1.51 0.00 0.00 179.97 178.03 1a3b h PRO 166 N 0.89 0.37 -0.23 0.20 0.11 -1.99 -0.89 132.00 130.45 1a3b h PRO 166 Ca 0.31 -0.14 -0.18 0.00 0.11 0.00 0.00 66.00 66.10 1a3b h PRO 166 Cb 0.10 -0.02 -0.00 0.00 0.11 0.00 0.00 31.00 31.18 1a3b h PRO 166 CO -0.09 0.62 -0.57 0.28 -0.21 0.00 0.00 178.00 178.03 1a3b h VAL 167 N 0.33 1.30 -0.12 3.15 2.07 -1.70 -0.69 116.25 120.58 1a3b h VAL 167 Ca 0.05 -1.79 -0.00 0.00 0.82 0.00 0.00 66.70 65.77 1a3b h VAL 167 Cb 0.66 1.73 -0.01 0.00 -1.52 0.00 0.00 31.29 32.16 1a3b h VAL 167 CO 0.05 0.57 0.06 0.00 0.02 0.00 0.00 177.57 178.27 1a3b h LYS 169 N 0.07 0.83 -0.00 0.00 1.57 -0.98 -2.83 116.57 115.23 1a3b h LYS 169 Ca 0.04 -0.20 0.00 0.00 -1.87 0.00 0.00 60.65 58.62 1a3b h LYS 169 Cb 0.11 -0.11 0.00 0.00 0.08 0.00 0.00 32.23 32.31 1a3b h LYS 169 CO -0.01 0.79 -0.02 -0.25 -0.57 0.00 0.00 179.45 179.39 1a3b n ASP 170 N -4.24 0.20 -0.51 0.86 8.00 -0.28 -3.35 116.55 117.23 1a3b n ASP 170 Ca 0.03 -0.67 0.12 0.00 0.71 0.00 0.00 54.79 54.98 1a3b n ASP 170 Cb 0.27 -0.11 0.08 0.00 -0.02 0.00 0.00 41.12 41.34 1a3b n ASP 170 CO 0.00 0.00 0.00 -1.54 -0.39 0.00 0.00 177.20 175.27 1a3b n SER 171 N -1.00 1.99 -3.88 -2.24 3.41 -1.05 -4.98 113.62 105.87 1a3b n SER 171 Ca 0.18 -1.48 -0.09 0.00 -0.26 0.00 0.00 58.87 57.22 1a3b n SER 171 Cb 0.20 0.36 -0.07 0.00 -0.26 0.00 0.00 64.21 64.45 1a3b n SER 171 CO 0.00 0.00 0.00 0.28 -0.16 0.00 0.00 175.04 175.16 1a3b s THR 172 N -2.41 0.09 -0.85 6.66 -1.32 -1.21 -4.81 115.64 111.79 1a3b s THR 172 Ca 0.21 -1.20 0.22 0.00 -1.21 0.00 0.00 61.69 59.71 1a3b s THR 172 Cb 0.19 -1.58 -0.17 0.00 -1.51 0.00 0.00 72.50 69.43 1a3b s THR 172 CO 0.53 -0.42 1.00 0.54 -2.21 0.00 0.00 174.62 174.06 1a3b n ARG 173 N -0.17 0.10 -2.38 7.08 1.74 -1.26 -4.92 116.66 116.85 1a3b n ARG 173 Ca -0.11 -0.02 -0.41 0.00 -0.77 0.00 0.00 57.85 56.55 1a3b n ARG 173 Cb 0.63 -1.52 -0.04 0.00 -1.02 0.00 0.00 32.46 30.51 1a3b n ARG 173 CO 0.00 0.00 0.00 0.42 -1.52 0.00 0.00 177.63 176.53 1a3b s ILE 174 N -3.08 3.44 -0.24 0.55 1.01 -1.26 -4.96 121.20 116.66 1a3b s ILE 174 Ca 0.07 1.32 -0.29 0.00 0.00 0.00 0.00 60.65 61.75 1a3b s ILE 174 Cb 0.16 -3.84 -0.02 0.00 0.01 0.00 0.00 42.46 38.77 1a3b s ILE 174 CO 0.82 0.27 1.46 -0.60 0.00 0.00 0.00 174.94 176.89 1a3b s ARG 175 N -0.91 3.90 0.24 2.79 3.52 -1.26 -5.00 118.95 122.23 1a3b s ARG 175 Ca 0.49 1.52 -0.15 0.00 -0.13 0.00 0.00 55.73 57.46 1a3b s ARG 175 Cb -0.33 -3.95 -0.08 0.00 -1.56 0.00 0.00 34.95 29.03 1a3b s ARG 175 CO 0.40 -1.15 0.66 0.42 -0.81 0.00 0.00 175.30 174.82 1a3b s ILE 176 N 4.66 4.72 0.37 4.11 -1.09 -1.26 -4.88 121.20 127.85 1a3b s ILE 176 Ca 0.64 0.94 0.05 0.00 -2.23 0.00 0.00 60.65 60.05 1a3b s ILE 176 Cb -0.22 -3.71 -0.06 0.00 -1.58 0.00 0.00 42.46 36.89 1a3b s ILE 176 CO 0.25 0.04 0.04 0.42 -1.23 0.00 0.00 174.94 174.47 1a3b s THR 177 N -1.71 1.39 -0.91 2.92 -4.23 -1.26 -5.02 115.64 106.82 1a3b s THR 177 Ca 0.46 -2.00 0.15 0.00 -1.18 0.00 0.00 61.69 59.12 1a3b s THR 177 Cb -0.13 -2.77 0.13 0.00 1.34 0.00 0.00 72.50 71.07 1a3b s THR 177 CO 0.19 0.00 1.47 0.47 -0.54 0.00 0.00 174.62 176.22 1a3b n ASP 178 N -0.87 0.11 -0.79 3.99 8.00 -1.26 -1.92 116.55 123.80 1a3b n ASP 178 Ca -0.05 0.53 0.07 0.00 0.71 0.00 0.00 54.79 56.05 1a3b n ASP 178 Cb 0.67 -0.55 0.19 0.00 -0.02 0.00 0.00 41.12 41.40 1a3b n ASP 178 CO 0.00 0.00 0.00 0.59 -0.39 0.00 0.00 177.20 177.40 1a3b n ASN 179 N -1.62 2.29 -4.17 -2.24 3.02 -1.26 -4.85 115.26 106.43 1a3b n ASN 179 Ca 0.03 -2.02 -0.11 0.00 -0.03 0.00 0.00 54.58 52.46 1a3b n ASN 179 Cb 0.17 -0.29 -0.10 0.00 -0.61 0.00 0.00 39.78 38.95 1a3b n ASN 179 CO 0.00 0.00 0.00 -0.04 -2.62 0.00 0.00 177.26 174.60 1a3b s MET 180 N -1.46 0.83 -0.05 3.52 -1.94 -0.81 -0.70 119.30 118.69 1a3b s MET 180 Ca 0.28 -1.31 -0.20 0.00 -1.71 0.00 0.00 55.69 52.75 1a3b s MET 180 Cb 0.15 -0.22 0.04 0.00 2.01 0.00 0.00 34.83 36.81 1a3b s MET 180 CO 0.19 -0.01 0.45 -0.59 -0.01 0.00 0.00 175.02 175.05 1a3b s PHE 181 N -3.52 -0.38 0.19 -0.03 -0.12 -0.77 -4.82 117.98 108.53 1a3b s PHE 181 Ca 0.11 0.68 0.09 0.00 -0.05 0.00 0.00 56.93 57.76 1a3b s PHE 181 Cb 0.05 0.21 -0.04 0.00 -0.63 0.00 0.00 43.02 42.60 1a3b s PHE 181 CO -0.04 -0.44 -0.12 0.00 -0.05 0.00 0.00 175.22 174.57 1a3b s ALA 183 N -1.76 -0.06 0.00 0.00 0.00 -0.16 -1.08 121.76 118.70 1a3b s ALA 183 Ca 0.25 -0.65 0.00 0.00 0.00 0.00 0.00 51.96 51.55 1a3b s ALA 183 Cb -0.08 0.34 0.00 0.00 0.00 0.00 0.00 23.12 23.38 1a3b s ALA 183 CO 0.15 -0.40 0.00 0.41 0.00 0.00 0.00 175.76 175.91 1a3b n GLY 184 N 0.34 3.50 3.85 0.00 0.00 0.14 -1.93 105.19 111.09 1a3b n GLY 184 Ca -0.17 -1.72 -0.33 0.00 0.00 0.00 0.00 46.02 43.81 1a3b n GLY 184 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1a3b s TYR 184 N -2.06 3.38 0.55 1.61 2.02 -1.26 -4.54 117.35 117.05 1a3b s TYR 184 Ca 0.00 1.21 -0.08 0.00 -0.37 0.00 0.00 57.07 57.83 1a3b s TYR 184 Cb 0.00 -2.53 -0.04 0.00 -0.40 0.00 0.00 41.96 38.99 1a3b s TYR 184 CO 0.00 0.10 0.91 0.15 -1.57 0.00 0.00 175.55 175.14 1a3b s LYS 185 N -2.95 3.58 0.34 -0.62 1.02 -1.26 -4.82 119.74 115.02 1a3b s LYS 185 Ca 0.54 0.49 0.07 0.00 0.02 0.00 0.00 55.97 57.08 1a3b s LYS 185 Cb -0.10 -2.22 0.74 0.00 -0.52 0.00 0.00 37.83 35.72 1a3b s LYS 185 CO 0.18 -0.39 1.88 -1.35 -0.92 0.00 0.00 175.35 174.75 1a3b h PRO 186 N -0.02 0.76 0.00 -1.68 0.11 -1.95 -0.84 132.00 128.37 1a3b h PRO 186 Ca -0.45 -0.05 0.00 0.00 0.11 0.00 0.00 66.00 65.61 1a3b h PRO 186 Cb 1.20 -0.17 0.00 0.00 0.11 0.00 0.00 31.00 32.14 1a3b h PRO 186 CO 0.62 0.50 0.00 -0.40 -0.21 0.00 0.00 178.00 178.51 1a3b n ASP 186 N -4.55 0.25 0.15 -2.05 5.68 -1.26 -3.21 116.55 111.55 1a3b n ASP 186 Ca 0.16 0.55 0.06 0.00 -0.50 0.00 0.00 54.79 55.06 1a3b n ASP 186 Cb 0.40 -0.61 0.05 0.00 -1.14 0.00 0.00 41.12 39.82 1a3b n ASP 186 CO 0.00 0.00 0.00 -0.33 -1.33 0.00 0.00 177.20 175.54 1a3b h GLU 186 N 0.00 0.00 0.00 0.11 5.08 -1.52 -3.48 114.58 114.77 1a3b h GLU 186 Ca 0.00 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 1a3b h GLU 186 Cb 0.41 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.66 1a3b h GLU 186 CO 0.00 0.27 0.00 0.41 -1.00 0.00 0.00 179.01 178.69 1a3b n GLY 186 N 1.20 2.02 3.47 -3.84 0.00 -1.20 -4.97 105.19 101.88 1a3b n GLY 186 Ca 0.01 -0.27 -0.37 0.00 0.00 0.00 0.00 46.02 45.39 1a3b n GLY 186 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1a3b n LYS 186 N 0.00 0.46 -3.39 1.61 5.02 -1.26 -5.00 118.16 115.60 1a3b n LYS 186 Ca 0.00 0.19 -0.16 0.00 -2.02 0.00 0.00 58.31 56.32 1a3b n LYS 186 Cb 0.00 -1.77 -0.04 0.00 -0.02 0.00 0.00 35.03 33.20 1a3b n LYS 186 CO 0.00 0.00 0.00 0.54 -0.52 0.00 0.00 177.40 177.42 1a3b n ARG 187 N -0.34 0.99 0.00 1.97 1.74 -1.26 -4.73 116.66 115.03 1a3b n ARG 187 Ca 0.11 -1.96 0.00 0.00 -0.77 0.00 0.00 57.85 55.23 1a3b n ARG 187 Cb 0.48 0.83 0.00 0.00 -1.02 0.00 0.00 32.46 32.75 1a3b n ARG 187 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1a3b n GLY 188 N 1.06 4.25 3.63 -0.13 0.00 -1.26 -4.93 105.19 107.82 1a3b n GLY 188 Ca -0.07 -1.38 -0.02 0.00 0.00 0.00 0.00 46.02 44.55 1a3b n GLY 188 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1a3b s ASP 189 N 0.00 -0.04 0.74 1.61 2.15 -1.08 -4.67 116.67 115.38 1a3b s ASP 189 Ca 0.00 -0.00 -0.11 0.00 0.43 0.00 0.00 52.55 52.86 1a3b s ASP 189 Cb 0.00 0.04 0.04 0.00 -0.30 0.00 0.00 42.92 42.70 1a3b s ASP 189 CO 0.00 -0.07 1.12 0.00 -0.17 0.00 0.00 175.17 176.05 1a3b s ALA 190 N -2.12 2.83 0.35 3.66 0.00 -1.26 -0.86 121.76 124.36 1a3b s ALA 190 Ca 0.11 -0.48 -0.02 0.00 0.00 0.00 0.00 51.96 51.57 1a3b s ALA 190 Cb -0.01 -2.98 0.01 0.00 0.00 0.00 0.00 23.12 20.15 1a3b s ALA 190 CO -0.03 -1.32 0.50 0.00 0.00 0.00 0.00 175.76 174.91 1a3b n GLU 192 N -0.57 1.64 0.00 0.00 4.07 -1.26 -0.98 120.64 123.53 1a3b n GLU 192 Ca 0.00 0.60 0.00 0.00 -0.06 0.00 0.00 57.16 57.70 1a3b n GLU 192 Cb 0.58 -2.35 0.00 0.00 -0.06 0.00 0.00 31.44 29.61 1a3b n GLU 192 CO 0.00 0.00 0.00 0.41 -0.06 0.00 0.00 177.13 177.48 1a3b n GLY 193 N 4.11 1.54 0.08 8.31 0.00 -1.26 -0.94 105.19 117.03 1a3b n GLY 193 Ca 0.24 0.00 0.12 0.00 0.00 0.00 0.00 46.02 46.37 1a3b n GLY 193 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1a3b n ASP 194 N 0.00 0.73 -4.61 1.61 8.00 -0.15 -3.79 116.55 118.34 1a3b n ASP 194 Ca 0.00 0.13 -0.45 0.00 0.71 0.00 0.00 54.79 55.18 1a3b n ASP 194 Cb 0.00 0.42 -0.02 0.00 -0.02 0.00 0.00 41.12 41.50 1a3b n ASP 194 CO 0.00 0.00 0.00 -1.20 -0.39 0.00 0.00 177.20 175.61 1a3b n SER 195 N -2.29 1.56 0.00 -2.24 7.64 -1.26 -1.81 113.62 115.22 1a3b n SER 195 Ca 0.02 1.18 0.00 0.00 1.01 0.00 0.00 58.87 61.07 1a3b n SER 195 Cb 0.48 -1.31 0.00 0.00 -1.01 0.00 0.00 64.21 62.37 1a3b n SER 195 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1a3b n GLY 196 N 1.32 3.23 3.82 0.23 0.00 -0.60 -0.22 105.19 112.98 1a3b n GLY 196 Ca 0.10 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.83 1a3b n GLY 196 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1a3b s GLY 197 N -2.43 1.58 0.08 -0.02 0.00 -0.75 -3.28 107.32 102.50 1a3b s GLY 197 Ca 0.00 -0.54 -0.07 0.00 0.00 0.00 0.00 44.72 44.11 1a3b s GLY 197 CO 0.00 -0.01 0.35 2.56 0.00 0.00 0.00 173.10 175.99 1a3b s PRO 198 N -5.36 3.64 -0.39 2.90 0.04 -1.26 -1.20 135.00 133.38 1a3b s PRO 198 Ca 0.63 -0.02 -0.05 0.00 0.04 0.00 0.00 61.00 61.60 1a3b s PRO 198 Cb -0.14 -2.96 0.08 0.00 0.04 0.00 0.00 34.50 31.53 1a3b s PRO 198 CO 0.52 0.55 0.17 0.12 0.04 0.00 0.00 177.00 178.40 1a3b s PHE 199 N -1.48 3.42 0.29 0.56 2.19 0.38 -3.56 117.98 119.78 1a3b s PHE 199 Ca 0.35 -1.97 0.07 0.00 0.33 0.00 0.00 56.93 55.72 1a3b s PHE 199 Cb -0.13 -2.86 -0.03 0.00 -1.31 0.00 0.00 43.02 38.69 1a3b s PHE 199 CO 0.21 -0.89 0.21 0.14 1.83 0.00 0.00 175.22 176.72 1a3b s VAL 200 N 1.27 3.97 -0.01 3.12 -7.23 0.50 -1.55 120.40 120.47 1a3b s VAL 200 Ca 0.03 -1.44 -0.01 0.00 -1.81 0.00 0.00 61.98 58.75 1a3b s VAL 200 Cb -0.22 -3.26 0.00 0.00 0.56 0.00 0.00 36.38 33.46 1a3b s VAL 200 CO -0.01 -0.28 0.02 -0.04 -0.31 0.00 0.00 175.10 174.48 1a3b s MET 201 N -3.89 0.01 -0.43 4.82 -1.94 -0.29 0.56 119.30 118.14 1a3b s MET 201 Ca 0.36 0.03 -0.18 0.00 -1.71 0.00 0.00 55.69 54.19 1a3b s MET 201 Cb -0.07 -0.01 0.03 0.00 2.01 0.00 0.00 34.83 36.79 1a3b s MET 201 CO 0.25 -0.01 0.52 0.21 -0.01 0.00 0.00 175.02 175.97 1a3b s LYS 202 N 0.07 3.15 0.21 2.03 2.20 -1.26 -0.89 119.74 125.25 1a3b s LYS 202 Ca -0.01 -0.66 -0.32 0.00 -0.36 0.00 0.00 55.97 54.62 1a3b s LYS 202 Cb -0.01 -3.98 -0.13 0.00 -1.51 0.00 0.00 37.83 32.21 1a3b s LYS 202 CO -0.00 -0.94 1.65 0.45 -0.36 0.00 0.00 175.35 176.15 1a3b n SER 203 N 5.85 3.67 -0.02 1.43 2.88 -0.05 -4.88 113.62 122.49 1a3b n SER 203 Ca -0.06 1.08 0.14 0.00 -1.33 0.00 0.00 58.87 58.71 1a3b n SER 203 Cb 0.47 -1.53 0.66 0.00 -0.75 0.00 0.00 64.21 63.06 1a3b n SER 203 CO 0.00 0.00 0.00 -0.81 -1.23 0.00 0.00 175.04 173.00 1a3b n PRO 204 N 3.43 0.29 0.09 -1.46 -0.04 -1.26 -1.01 135.00 135.04 1a3b n PRO 204 Ca 0.15 -0.03 -0.23 0.00 -0.04 0.00 0.00 63.50 63.35 1a3b n PRO 204 Cb 0.33 -1.50 -0.15 0.00 -0.04 0.00 0.00 33.50 32.14 1a3b n PRO 204 CO 0.00 0.00 0.00 0.74 -0.04 0.00 0.00 175.50 176.20 1a3b h PHE 204 N 0.08 0.77 0.00 0.54 0.04 -1.97 -3.40 116.94 113.00 1a3b h PHE 204 Ca 0.00 -0.56 0.00 0.00 2.80 0.00 0.00 57.97 60.21 1a3b h PHE 204 Cb 0.38 -0.03 0.00 0.00 2.20 0.00 0.00 35.95 38.50 1a3b h PHE 204 CO 0.00 1.61 0.00 0.27 -0.60 0.00 0.00 178.31 179.59 1a3b n ASN 204 N -3.61 0.77 -3.88 2.17 2.04 -1.24 -5.03 115.26 106.48 1a3b n ASN 204 Ca -0.21 -1.28 -0.29 0.00 -0.44 0.00 0.00 54.58 52.35 1a3b n ASN 204 Cb 1.08 0.00 0.03 0.00 -2.53 0.00 0.00 39.78 38.36 1a3b n ASN 204 CO 0.00 0.00 0.00 0.59 -0.44 0.00 0.00 177.26 177.41 1a3b n ASN 205 N -0.14 -4.81 -4.54 0.53 3.02 -0.18 -4.98 115.26 104.15 1a3b n ASN 205 Ca 0.00 -0.76 -0.29 0.00 -0.03 0.00 0.00 54.58 53.50 1a3b n ASN 205 Cb 0.27 -4.01 -0.10 0.00 -0.61 0.00 0.00 39.78 35.34 1a3b n ASN 205 CO 0.00 0.00 0.00 -0.13 -2.62 0.00 0.00 177.26 174.51 1a3b s ARG 206 N -6.57 1.98 -0.09 3.52 0.52 -1.25 -4.90 118.95 112.17 1a3b s ARG 206 Ca 0.63 -1.14 -0.18 0.00 -0.52 0.00 0.00 55.73 54.53 1a3b s ARG 206 Cb -0.31 -2.20 -0.05 0.00 0.52 0.00 0.00 34.95 32.91 1a3b s ARG 206 CO 0.82 0.48 0.47 -1.58 0.02 0.00 0.00 175.30 175.51 1a3b s TRP 207 N -1.29 3.56 -0.03 -0.53 0.52 -1.26 -0.87 118.94 119.03 1a3b s TRP 207 Ca 0.21 0.92 0.06 0.00 0.02 0.00 0.00 56.10 57.31 1a3b s TRP 207 Cb -0.10 -2.50 -0.01 0.00 -1.15 0.00 0.00 33.47 29.70 1a3b s TRP 207 CO 0.13 0.27 -0.22 0.71 0.02 0.00 0.00 176.95 177.86 1a3b s TYR 208 N 0.24 2.04 -0.50 -1.98 2.02 -0.07 -2.24 117.35 116.86 1a3b s TYR 208 Ca 0.25 -0.49 -0.21 0.00 -0.37 0.00 0.00 57.07 56.25 1a3b s TYR 208 Cb -0.16 -1.34 0.04 0.00 -0.40 0.00 0.00 41.96 40.11 1a3b s TYR 208 CO 0.11 -0.11 0.75 -1.14 -1.57 0.00 0.00 175.55 173.59 1a3b s GLN 209 N -0.30 3.25 -0.05 -0.62 0.74 0.26 -1.13 119.66 121.81 1a3b s GLN 209 Ca 0.03 -0.50 0.11 0.00 0.05 0.00 0.00 55.36 55.04 1a3b s GLN 209 Cb -0.11 -4.04 -0.23 0.00 1.10 0.00 0.00 33.01 29.73 1a3b s GLN 209 CO 0.01 -1.25 0.64 -1.33 -0.55 0.00 0.00 175.29 172.81 1a3b n MET 210 N 6.66 0.64 -4.15 1.67 2.81 -0.59 -4.34 117.12 119.81 1a3b n MET 210 Ca -0.02 0.29 -0.11 0.00 -1.81 0.00 0.00 57.70 56.05 1a3b n MET 210 Cb 0.47 -1.79 -0.09 0.00 -0.71 0.00 0.00 33.22 31.10 1a3b n MET 210 CO 0.00 0.00 0.00 0.20 1.51 0.00 0.00 175.97 177.68 1a3b s GLY 211 N -5.14 1.23 -0.09 3.03 0.00 -0.83 -1.77 107.32 103.75 1a3b s GLY 211 Ca -0.06 -1.51 0.00 0.00 0.00 0.00 0.00 44.72 43.15 1a3b s GLY 211 CO 0.82 -1.23 -0.08 -0.42 0.00 0.00 0.00 173.10 172.20 1a3b s ILE 212 N -4.13 0.95 -0.21 0.90 1.01 -0.94 -0.47 121.20 118.33 1a3b s ILE 212 Ca 0.35 -0.29 -0.38 0.00 0.00 0.00 0.00 60.65 60.33 1a3b s ILE 212 Cb 0.05 -0.95 -0.14 0.00 0.01 0.00 0.00 42.46 41.43 1a3b s ILE 212 CO 0.11 0.34 1.81 0.52 0.00 0.00 0.00 174.94 177.73 1a3b n VAL 213 N 4.54 0.42 0.00 2.92 0.31 -0.34 -0.88 118.33 125.31 1a3b n VAL 213 Ca -0.16 -0.08 -0.01 0.00 -0.01 0.00 0.00 64.34 64.08 1a3b n VAL 213 Cb 0.51 -1.50 -0.00 0.00 -0.91 0.00 0.00 33.84 31.93 1a3b n VAL 213 CO 0.00 0.00 0.00 -0.24 -1.32 0.00 0.00 176.83 175.27 1a3b n SER 214 N 6.01 0.33 -3.89 4.52 2.88 -0.69 -1.55 113.62 121.23 1a3b n SER 214 Ca 0.25 0.05 -0.09 0.00 -1.33 0.00 0.00 58.87 57.75 1a3b n SER 214 Cb 0.20 -0.20 -0.04 0.00 -0.75 0.00 0.00 64.21 63.41 1a3b n SER 214 CO 0.00 0.00 0.00 -1.66 -1.23 0.00 0.00 175.04 172.15 1a3b s TRP 215 N -1.31 0.27 -0.26 0.66 1.48 -1.00 -4.94 118.94 113.84 1a3b s TRP 215 Ca -0.02 -0.66 -0.29 0.00 -1.06 0.00 0.00 56.10 54.08 1a3b s TRP 215 Cb 0.00 0.31 0.18 0.00 -1.16 0.00 0.00 33.47 32.80 1a3b s TRP 215 CO 0.03 -1.08 1.29 0.20 -4.06 0.00 0.00 176.95 173.33 1a3b s GLY 216 N -3.01 0.04 -0.80 3.67 0.00 -1.26 -0.42 107.32 105.54 1a3b s GLY 216 Ca 0.20 2.73 -0.18 0.00 0.00 0.00 0.00 44.72 47.47 1a3b s GLY 216 CO 0.09 1.18 0.93 -0.54 0.00 0.00 0.00 173.10 174.76 1a3b s GLU 217 N -0.92 3.41 1.93 2.90 2.02 -1.26 -4.86 118.70 121.93 1a3b s GLU 217 Ca 0.06 -1.71 0.00 0.00 0.02 0.00 0.00 54.97 53.34 1a3b s GLU 217 Cb -0.01 -4.58 0.00 0.00 0.10 0.00 0.00 34.13 29.63 1a3b s GLU 217 CO -0.07 -1.62 0.00 0.41 0.02 0.00 0.00 175.26 174.01 1a3b n GLY 219 N 5.10 -1.29 2.86 -1.39 0.00 -1.26 -4.78 105.19 104.44 1a3b n GLY 219 Ca 0.11 -1.36 -0.15 0.00 0.00 0.00 0.00 46.02 44.62 1a3b n GLY 219 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1a3b n ASP 221 N 4.69 -5.62 -4.76 0.00 2.03 -1.26 -4.74 116.55 106.89 1a3b n ASP 221 Ca -0.17 -0.31 -0.40 0.00 0.52 0.00 0.00 54.79 54.43 1a3b n ASP 221 Cb 0.51 -4.55 -0.06 0.00 -0.72 0.00 0.00 41.12 36.30 1a3b n ASP 221 CO 0.00 0.00 0.00 -0.13 -1.92 0.00 0.00 177.20 175.15 1a3b s ARG 221 N -5.79 4.72 0.15 -0.67 0.52 -1.26 -4.94 118.95 111.69 1a3b s ARG 221 Ca 0.33 1.34 -0.31 0.00 -0.52 0.00 0.00 55.73 56.56 1a3b s ARG 221 Cb -0.15 -3.27 -0.10 0.00 0.52 0.00 0.00 34.95 31.94 1a3b s ARG 221 CO 0.41 0.54 1.67 -0.51 0.02 0.00 0.00 175.30 177.43 1a3b s ASP 222 N -1.14 6.50 0.00 0.23 1.11 -1.26 -2.05 116.67 120.06 1a3b s ASP 222 Ca 0.39 2.69 0.00 0.00 0.18 0.00 0.00 52.55 55.81 1a3b s ASP 222 Cb -0.25 -2.59 0.00 0.00 1.07 0.00 0.00 42.92 41.16 1a3b s ASP 222 CO 0.29 -0.91 0.00 0.61 1.18 0.00 0.00 175.17 176.34 1a3b n GLY 223 N 3.94 1.37 3.83 0.21 0.00 -1.26 -5.03 105.19 108.26 1a3b n GLY 223 Ca 0.15 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.94 1a3b n GLY 223 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1a3b s LYS 224 N -0.61 2.98 0.05 1.61 -0.14 -0.87 -4.75 119.74 118.01 1a3b s LYS 224 Ca 0.00 -0.97 0.01 0.00 -1.36 0.00 0.00 55.97 53.65 1a3b s LYS 224 Cb 0.00 -2.63 -0.03 0.00 -1.68 0.00 0.00 37.83 33.49 1a3b s LYS 224 CO 0.00 0.43 -0.05 0.71 -0.76 0.00 0.00 175.35 175.68 1a3b s TYR 225 N -2.01 0.58 0.11 3.18 2.02 -1.26 -4.72 117.35 115.25 1a3b s TYR 225 Ca 0.32 -0.77 -0.27 0.00 -0.37 0.00 0.00 57.07 55.98 1a3b s TYR 225 Cb -0.09 -0.38 -0.07 0.00 -0.40 0.00 0.00 41.96 41.03 1a3b s TYR 225 CO 0.25 -0.21 0.84 0.20 -1.57 0.00 0.00 175.55 175.06 1a3b s GLY 226 N -2.30 2.91 -0.08 0.71 0.00 -0.81 -4.61 107.32 103.15 1a3b s GLY 226 Ca -0.01 0.41 -0.01 0.00 0.00 0.00 0.00 44.72 45.10 1a3b s GLY 226 CO -0.04 1.14 -0.00 -1.36 0.00 0.00 0.00 173.10 172.84 1a3b s PHE 227 N -0.42 3.15 0.05 1.90 0.40 0.44 -0.98 117.98 122.50 1a3b s PHE 227 Ca 0.40 0.18 0.04 0.00 -0.60 0.00 0.00 56.93 56.95 1a3b s PHE 227 Cb -0.22 -1.78 -0.02 0.00 0.51 0.00 0.00 43.02 41.51 1a3b s PHE 227 CO 0.26 0.46 -0.13 0.71 0.70 0.00 0.00 175.22 177.23 1a3b s TYR 228 N -0.90 1.09 0.05 0.36 1.51 0.36 -1.70 117.35 118.12 1a3b s TYR 228 Ca 0.14 -0.39 -0.31 0.00 -1.01 0.00 0.00 57.07 55.50 1a3b s TYR 228 Cb -0.11 -0.64 -0.06 0.00 -0.11 0.00 0.00 41.96 41.04 1a3b s TYR 228 CO 0.03 0.02 1.33 0.99 -1.11 0.00 0.00 175.55 176.81 1a3b s THR 229 N -1.00 3.68 -0.90 -0.71 2.01 -0.06 -1.86 115.64 116.81 1a3b s THR 229 Ca -0.01 1.16 -0.25 0.00 0.31 0.00 0.00 61.69 62.90 1a3b s THR 229 Cb -0.08 -3.74 0.02 0.00 0.01 0.00 0.00 72.50 68.70 1a3b s THR 229 CO 0.01 0.05 1.55 -2.28 -0.69 0.00 0.00 174.62 173.26 1a3b s HIS 230 N 1.61 2.26 0.16 4.92 2.46 0.12 -2.21 115.29 124.61 1a3b s HIS 230 Ca 0.62 -0.23 -0.16 0.00 0.47 0.00 0.00 55.06 55.76 1a3b s HIS 230 Cb -0.32 -4.50 0.08 0.00 -0.13 0.00 0.00 32.58 27.70 1a3b s HIS 230 CO 0.28 -1.97 1.74 0.28 -2.47 0.00 0.00 174.74 172.61 1a3b h VAL 231 N 6.73 0.86 -0.42 0.89 2.07 -1.66 -2.51 116.25 122.20 1a3b h VAL 231 Ca 0.03 -0.08 -0.01 0.00 0.82 0.00 0.00 66.70 67.46 1a3b h VAL 231 Cb 1.03 0.59 -0.02 0.00 -1.52 0.00 0.00 31.29 31.37 1a3b h VAL 231 CO 1.33 0.04 0.22 0.15 0.02 0.00 0.00 177.57 179.34 1a3b h PHE 232 N 0.24 0.56 0.00 1.57 3.57 -1.86 -1.61 116.94 119.40 1a3b h PHE 232 Ca 0.17 -0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.67 1a3b h PHE 232 Cb 0.17 -0.18 0.00 0.00 2.79 0.00 0.00 35.95 38.73 1a3b h PHE 232 CO -0.17 0.40 0.00 0.00 -2.23 0.00 0.00 178.31 176.31 1a3b h ARG 233 N 0.58 0.00 -0.08 1.11 3.08 -1.83 -2.64 114.38 114.61 1a3b h ARG 233 Ca 0.15 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.20 1a3b h ARG 233 Cb 0.03 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.08 1a3b h ARG 233 CO -0.02 0.00 0.00 1.28 -1.07 0.00 0.00 179.97 180.16 1a3b n LEU 234 N -3.06 2.67 0.10 3.04 4.77 -0.66 -4.71 117.00 119.16 1a3b n LEU 234 Ca -0.00 -2.86 -0.02 0.00 -0.03 0.00 0.00 56.01 53.10 1a3b n LEU 234 Cb 0.24 -0.38 0.23 0.00 -2.33 0.00 0.00 43.42 41.18 1a3b n LEU 234 CO 0.25 0.67 0.64 0.50 -1.33 0.00 0.00 177.39 178.12 1a3b h LYS 235 N 0.50 0.21 -0.52 3.23 3.11 -1.03 -2.62 116.57 119.46 1a3b h LYS 235 Ca 0.00 -0.10 -0.05 0.00 -2.81 0.00 0.00 60.65 57.69 1a3b h LYS 235 Cb 1.01 -0.00 -0.02 0.00 -1.00 0.00 0.00 32.23 32.22 1a3b h LYS 235 CO 0.05 0.60 0.13 0.87 -2.81 0.00 0.00 179.45 178.29 1a3b h LYS 236 N 0.17 0.79 -0.31 1.90 1.57 -1.84 -0.00 116.57 118.85 1a3b h LYS 236 Ca 0.01 -0.15 -0.11 0.00 -1.87 0.00 0.00 60.65 58.53 1a3b h LYS 236 Cb 0.83 -0.12 -0.01 0.00 0.08 0.00 0.00 32.23 33.01 1a3b h LYS 236 CO 0.06 0.71 -0.23 2.35 -0.57 0.00 0.00 179.45 181.78 1a3b h TRP 237 N 0.77 0.83 -0.20 -1.35 7.01 -1.86 -2.01 115.95 119.14 1a3b h TRP 237 Ca 0.17 -0.23 0.03 0.00 2.11 0.00 0.00 58.89 60.97 1a3b h TRP 237 Cb 0.28 -0.18 -0.03 0.00 -2.10 0.00 0.00 29.16 27.13 1a3b h TRP 237 CO 0.02 0.96 0.04 0.82 -2.79 0.00 0.00 178.44 177.48 1a3b h ILE 238 N 0.46 0.91 -0.55 2.65 2.04 -1.06 -1.70 117.51 120.26 1a3b h ILE 238 Ca 0.06 -0.04 -0.02 0.00 1.00 0.00 0.00 64.86 65.86 1a3b h ILE 238 Cb 0.78 0.79 -0.03 0.00 -0.74 0.00 0.00 36.82 37.62 1a3b h ILE 238 CO 0.06 0.02 0.26 -0.61 0.00 0.00 0.00 178.15 177.88 1a3b h GLN 239 N 0.11 0.79 -0.65 2.37 5.75 -1.01 -2.00 115.11 120.47 1a3b h GLN 239 Ca 0.09 -0.12 0.02 0.00 -0.15 0.00 0.00 58.65 58.49 1a3b h GLN 239 Cb 0.08 -0.14 -0.04 0.00 1.07 0.00 0.00 27.48 28.45 1a3b h GLN 239 CO -0.12 0.65 0.41 -0.22 -2.65 0.00 0.00 178.83 176.90 1a3b h LYS 240 N 0.74 0.79 -0.00 1.69 3.64 -1.07 0.42 116.57 122.78 1a3b h LYS 240 Ca 0.19 -0.05 -0.00 0.00 -1.27 0.00 0.00 60.65 59.52 1a3b h LYS 240 Cb 0.12 -0.18 -0.00 0.00 -0.41 0.00 0.00 32.23 31.76 1a3b h LYS 240 CO -0.02 0.53 0.00 0.28 -2.27 0.00 0.00 179.45 177.96 1a3b h VAL 241 N 0.82 1.19 -0.44 2.00 2.07 -1.08 0.52 116.25 121.33 1a3b h VAL 241 Ca 0.25 -0.57 -0.09 0.00 0.82 0.00 0.00 66.70 67.11 1a3b h VAL 241 Cb -0.02 1.58 -0.02 0.00 -1.52 0.00 0.00 31.29 31.30 1a3b h VAL 241 CO -0.09 0.15 -0.10 0.40 0.02 0.00 0.00 177.57 177.96 1a3b h ILE 242 N -0.24 1.26 -0.32 4.57 2.04 -1.18 0.35 117.51 123.99 1a3b h ILE 242 Ca 0.00 -1.15 -0.08 0.00 1.00 0.00 0.00 64.86 64.63 1a3b h ILE 242 Cb 0.24 1.02 -0.01 0.00 -0.74 0.00 0.00 36.82 37.33 1a3b h ILE 242 CO 0.00 0.39 -0.11 0.44 0.00 0.00 0.00 178.15 178.88 1a3b h ASP 243 N 0.71 0.65 1.17 1.72 5.19 -0.08 -3.16 116.42 122.63 1a3b h ASP 243 Ca 0.12 -0.38 -0.15 0.00 -0.62 0.00 0.00 57.03 56.00 1a3b h ASP 243 Cb 0.57 -0.18 -0.02 0.00 0.18 0.00 0.00 39.33 39.88 1a3b h ASP 243 CO 0.04 0.89 -0.71 -0.61 -3.12 0.00 0.00 179.24 175.72 1a3b h GLN 244 N 0.42 0.00 0.00 3.56 4.15 -0.71 -3.51 115.11 119.02 1a3b h GLN 244 Ca 0.08 0.00 0.00 0.00 0.77 0.00 0.00 58.65 59.50 1a3b h GLN 244 Cb 0.62 0.00 0.00 0.00 0.21 0.00 0.00 27.48 28.31 1a3b h GLN 244 CO 0.04 0.71 0.00 1.19 -1.93 0.00 0.00 178.83 178.84