#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1a4w s VAL 17 N 0.00 4.70 -1.20 1.39 1.01 0.24 -4.14 120.40 122.40 1a4w s VAL 17 Ca 0.00 -0.05 -0.02 0.00 0.00 0.00 0.00 61.98 61.91 1a4w s VAL 17 Cb 0.00 -3.16 0.00 0.00 0.00 0.00 0.00 36.38 33.22 1a4w s VAL 17 CO 0.00 0.39 0.26 -0.62 0.00 0.00 0.00 175.10 175.13 1a4w n GLU 18 N 4.22 -2.61 -0.38 2.72 -0.58 -1.26 -2.49 120.64 120.26 1a4w n GLU 18 Ca -0.16 0.69 0.00 0.00 -0.42 0.00 0.00 57.16 57.27 1a4w n GLU 18 Cb 0.52 -5.04 0.00 0.00 -0.57 0.00 0.00 31.44 26.35 1a4w n GLU 18 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 1a4w n GLY 19 N -1.19 1.35 3.25 0.62 0.00 -1.26 -4.70 105.19 103.26 1a4w n GLY 19 Ca -0.12 -2.00 -0.10 0.00 0.00 0.00 0.00 46.02 43.80 1a4w n GLY 19 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1a4w s SER 20 N -1.00 -0.07 0.26 1.61 1.04 0.04 -4.91 113.70 110.68 1a4w s SER 20 Ca 0.00 -0.41 -0.31 0.00 0.48 0.00 0.00 55.95 55.72 1a4w s SER 20 Cb 0.00 0.39 -0.12 0.00 0.10 0.00 0.00 66.02 66.39 1a4w s SER 20 CO 0.00 -0.73 1.64 -1.81 0.98 0.00 0.00 173.24 173.32 1a4w s ASP 21 N -2.60 6.38 0.63 7.02 1.11 -1.26 0.20 116.67 128.14 1a4w s ASP 21 Ca 0.01 2.92 -0.14 0.00 0.18 0.00 0.00 52.55 55.51 1a4w s ASP 21 Cb 0.02 -2.62 -0.02 0.00 1.07 0.00 0.00 42.92 41.37 1a4w s ASP 21 CO -0.09 -0.94 1.07 0.00 1.18 0.00 0.00 175.17 176.39 1a4w s ALA 22 N 0.45 2.66 0.59 5.23 0.00 0.12 -4.79 121.76 126.02 1a4w s ALA 22 Ca 0.68 0.35 -0.13 0.00 0.00 0.00 0.00 51.96 52.85 1a4w s ALA 22 Cb -0.48 -3.24 -0.04 0.00 0.00 0.00 0.00 23.12 19.35 1a4w s ALA 22 CO 0.42 -1.01 1.02 -1.21 0.00 0.00 0.00 175.76 174.99 1a4w s GLU 23 N -4.30 3.57 0.35 0.00 2.02 -1.26 -4.91 118.70 114.18 1a4w s GLU 23 Ca 0.63 0.91 -0.28 0.00 0.02 0.00 0.00 54.97 56.25 1a4w s GLU 23 Cb -0.16 -2.08 -0.10 0.00 0.10 0.00 0.00 34.13 31.89 1a4w s GLU 23 CO 0.42 -0.59 1.36 0.42 0.02 0.00 0.00 175.26 176.89 1a4w s ILE 24 N -2.88 2.50 -1.31 -1.63 -1.09 -1.26 -1.88 121.20 113.65 1a4w s ILE 24 Ca 0.58 0.50 0.00 0.00 -2.23 0.00 0.00 60.65 59.50 1a4w s ILE 24 Cb -0.12 -3.31 0.00 0.00 -1.58 0.00 0.00 42.46 37.45 1a4w s ILE 24 CO 0.44 0.11 0.00 0.61 -1.23 0.00 0.00 174.94 174.88 1a4w n GLY 25 N 0.68 1.21 0.18 6.18 0.00 -1.26 -4.90 105.19 107.27 1a4w n GLY 25 Ca 0.01 -0.06 0.04 0.00 0.00 0.00 0.00 46.02 46.01 1a4w n GLY 25 CO 0.00 0.00 0.00 1.98 0.00 0.00 0.00 173.32 175.30 1a4w h MET 26 N 0.03 0.00 -2.20 1.61 -1.53 -1.76 -3.37 114.93 107.71 1a4w h MET 26 Ca -0.25 0.00 -0.58 0.00 -3.44 0.00 0.00 59.70 55.43 1a4w h MET 26 Cb 1.13 0.00 -0.39 0.00 -0.55 0.00 0.00 31.60 31.80 1a4w h MET 26 CO 0.37 0.43 -1.02 0.45 0.14 0.00 0.00 176.91 177.28 1a4w n SER 27 N -3.63 0.08 0.00 1.39 2.88 -1.26 -4.97 113.62 108.11 1a4w n SER 27 Ca -0.01 -2.59 0.11 0.00 -1.33 0.00 0.00 58.87 55.06 1a4w n SER 27 Cb 0.52 -0.60 0.50 0.00 -0.75 0.00 0.00 64.21 63.88 1a4w n SER 27 CO 0.00 0.00 0.00 -0.81 -1.23 0.00 0.00 175.04 173.00 1a4w n PRO 28 N 2.05 0.01 -0.05 -1.46 -0.04 -1.26 -1.33 135.00 132.91 1a4w n PRO 28 Ca 0.25 0.10 0.12 0.00 -0.04 0.00 0.00 63.50 63.94 1a4w n PRO 28 Cb 0.50 -1.51 0.32 0.00 -0.04 0.00 0.00 33.50 32.77 1a4w n PRO 28 CO 0.00 0.00 0.00 -2.67 -0.04 0.00 0.00 175.50 172.79 1a4w n TRP 29 N -1.52 0.14 -2.03 0.54 2.14 -1.04 -2.00 117.44 113.66 1a4w n TRP 29 Ca 0.06 -0.07 -0.42 0.00 2.07 0.00 0.00 57.50 59.14 1a4w n TRP 29 Cb 0.28 0.00 -0.03 0.00 -0.81 0.00 0.00 31.31 30.75 1a4w n TRP 29 CO 0.00 0.00 0.00 -1.14 2.07 0.00 0.00 177.69 178.62 1a4w s GLN 30 N -1.86 4.25 0.16 -2.67 2.00 -0.44 -0.86 119.66 120.23 1a4w s GLN 30 Ca 0.34 2.22 0.10 0.00 -2.00 0.00 0.00 55.36 56.02 1a4w s GLN 30 Cb 0.20 -3.36 -0.04 0.00 0.80 0.00 0.00 33.01 30.61 1a4w s GLN 30 CO 0.31 -0.59 -0.18 0.08 -0.50 0.00 0.00 175.29 174.40 1a4w s VAL 31 N 1.72 2.76 -0.13 1.34 1.01 -0.50 -4.08 120.40 122.53 1a4w s VAL 31 Ca 0.69 -1.70 0.03 0.00 0.00 0.00 0.00 61.98 60.99 1a4w s VAL 31 Cb -0.39 -2.31 0.00 0.00 0.00 0.00 0.00 36.38 33.68 1a4w s VAL 31 CO 0.31 -0.01 -0.21 -0.32 0.00 0.00 0.00 175.10 174.86 1a4w s MET 32 N -2.46 3.09 -0.22 2.72 1.75 0.01 -1.79 119.30 122.40 1a4w s MET 32 Ca 0.20 -0.83 -0.22 0.00 -1.25 0.00 0.00 55.69 53.59 1a4w s MET 32 Cb -0.09 -2.43 -0.02 0.00 2.84 0.00 0.00 34.83 35.13 1a4w s MET 32 CO 0.11 0.08 0.69 -0.51 -0.65 0.00 0.00 175.02 174.74 1a4w s LEU 33 N 0.59 4.10 -0.10 4.11 1.02 0.72 -1.36 118.68 127.76 1a4w s LEU 33 Ca -0.12 0.86 0.00 0.00 0.02 0.00 0.00 54.13 54.89 1a4w s LEU 33 Cb -0.16 -2.97 0.02 0.00 0.02 0.00 0.00 46.19 43.10 1a4w s LEU 33 CO 0.03 -0.37 -0.09 0.12 0.02 0.00 0.00 176.35 176.07 1a4w s PHE 34 N 2.33 1.50 0.25 0.29 5.36 -0.42 0.17 117.98 127.47 1a4w s PHE 34 Ca 0.30 -0.71 -0.30 0.00 -0.96 0.00 0.00 56.93 55.26 1a4w s PHE 34 Cb -0.16 -1.21 -0.09 0.00 -0.34 0.00 0.00 43.02 41.22 1a4w s PHE 34 CO 0.09 -0.47 1.14 0.50 -1.46 0.00 0.00 175.22 175.03 1a4w s ARG 35 N 1.47 4.58 0.12 10.12 3.52 0.12 -1.34 118.95 137.53 1a4w s ARG 35 Ca 0.01 1.85 -0.12 0.00 -0.13 0.00 0.00 55.73 57.33 1a4w s ARG 35 Cb -0.13 -3.20 -0.10 0.00 -1.56 0.00 0.00 34.95 29.96 1a4w s ARG 35 CO -0.06 0.10 1.39 0.87 -0.81 0.00 0.00 175.30 176.79 1a4w h LYS 36 N 4.21 0.84 -1.40 5.12 1.57 -1.80 -3.16 116.57 121.95 1a4w h LYS 36 Ca -0.46 -0.54 0.12 0.00 -1.87 0.00 0.00 60.65 57.90 1a4w h LYS 36 Cb 1.21 0.06 -0.21 0.00 0.08 0.00 0.00 32.23 33.37 1a4w h LYS 36 CO 0.69 1.17 -0.05 0.45 -0.57 0.00 0.00 179.45 181.14 1a4w s SER 36 N -6.89 -1.00 0.94 0.86 0.15 -1.26 -3.80 113.70 102.70 1a4w s SER 36 Ca -0.11 1.13 -0.10 0.00 0.70 0.00 0.00 55.95 57.57 1a4w s SER 36 Cb 0.10 2.04 0.16 0.00 -1.71 0.00 0.00 66.02 66.61 1a4w s SER 36 CO 0.88 -0.19 1.14 -2.16 1.20 0.00 0.00 173.24 174.11 1a4w s PRO 37 N 2.78 0.82 0.03 5.44 0.04 -1.26 -5.08 135.00 137.77 1a4w s PRO 37 Ca 0.01 1.52 -0.30 0.00 0.04 0.00 0.00 61.00 62.27 1a4w s PRO 37 Cb -0.11 -1.71 -0.04 0.00 0.04 0.00 0.00 34.50 32.68 1a4w s PRO 37 CO -0.18 -2.76 1.06 -0.65 0.04 0.00 0.00 177.00 174.50 1a4w s GLN 38 N -4.62 4.52 -0.21 4.56 -0.21 -1.25 -4.65 119.66 117.81 1a4w s GLN 38 Ca 0.67 1.55 -0.31 0.00 0.02 0.00 0.00 55.36 57.29 1a4w s GLN 38 Cb -0.23 -3.41 0.15 0.00 1.00 0.00 0.00 33.01 30.52 1a4w s GLN 38 CO 0.59 -0.10 1.18 -1.83 -2.12 0.00 0.00 175.29 173.01 1a4w s GLU 39 N 0.94 0.33 -0.07 2.91 -1.05 -1.19 -4.95 118.70 115.61 1a4w s GLU 39 Ca 0.54 -0.00 -0.30 0.00 -0.15 0.00 0.00 54.97 55.06 1a4w s GLU 39 Cb -0.24 0.15 -0.03 0.00 -0.44 0.00 0.00 34.13 33.57 1a4w s GLU 39 CO 0.29 -0.12 1.19 -1.17 0.95 0.00 0.00 175.26 176.40 1a4w s LEU 40 N -1.48 4.26 -0.11 1.83 2.96 -1.26 0.13 118.68 125.01 1a4w s LEU 40 Ca 0.06 1.77 -0.13 0.00 -0.22 0.00 0.00 54.13 55.61 1a4w s LEU 40 Cb -0.01 -3.56 -0.27 0.00 0.50 0.00 0.00 46.19 42.86 1a4w s LEU 40 CO -0.04 -0.59 0.49 -0.07 -1.32 0.00 0.00 176.35 174.81 1a4w h LEU 41 N 8.37 0.39 -7.44 -0.68 4.07 0.14 -3.46 115.31 116.70 1a4w h LEU 41 Ca -0.33 -0.86 0.36 0.00 0.08 0.00 0.00 57.88 57.13 1a4w h LEU 41 Cb 1.15 -0.13 -0.11 0.00 1.08 0.00 0.00 40.66 42.66 1a4w h LEU 41 CO 0.89 1.70 0.91 0.00 -1.08 0.00 0.00 178.44 180.87 1a4w s GLY 43 N -3.31 1.77 0.07 0.00 0.00 0.52 -0.20 107.32 106.16 1a4w s GLY 43 Ca 0.20 -1.63 -0.14 0.00 0.00 0.00 0.00 44.72 43.15 1a4w s GLY 43 CO -0.04 -0.96 0.65 0.00 0.00 0.00 0.00 173.10 172.75 1a4w n ALA 44 N -3.20 -1.75 -3.16 3.20 0.00 -0.74 -3.68 120.51 111.18 1a4w n ALA 44 Ca 0.16 -0.56 -0.12 0.00 0.00 0.00 0.00 53.44 52.92 1a4w n ALA 44 Cb 0.60 0.26 -0.10 0.00 0.00 0.00 0.00 19.45 20.21 1a4w n ALA 44 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.50 175.96 1a4w s SER 45 N -2.50 -0.10 -0.36 0.00 1.04 0.18 -1.41 113.70 110.55 1a4w s SER 45 Ca 0.15 -0.00 -0.15 0.00 0.48 0.00 0.00 55.95 56.43 1a4w s SER 45 Cb -0.01 0.29 -0.01 0.00 0.10 0.00 0.00 66.02 66.39 1a4w s SER 45 CO 0.02 -0.36 0.32 -0.22 0.98 0.00 0.00 173.24 173.98 1a4w s LEU 46 N -1.16 4.59 0.00 2.42 2.96 -0.04 -0.40 118.68 127.04 1a4w s LEU 46 Ca -0.12 -0.42 0.13 0.00 -0.22 0.00 0.00 54.13 53.50 1a4w s LEU 46 Cb -0.06 -2.26 -0.09 0.00 0.50 0.00 0.00 46.19 44.29 1a4w s LEU 46 CO 0.02 -0.34 0.63 2.30 -1.32 0.00 0.00 176.35 177.65 1a4w n ILE 47 N 5.21 0.00 -3.47 6.68 -5.35 -0.87 -1.69 119.36 119.86 1a4w n ILE 47 Ca -0.10 -0.26 -0.05 0.00 -0.27 0.00 0.00 62.75 62.07 1a4w n ILE 47 Cb 0.49 1.06 0.01 0.00 -1.74 0.00 0.00 39.64 39.46 1a4w n ILE 47 CO 0.00 0.00 0.00 -1.54 -1.76 0.00 0.00 176.55 173.25 1a4w n SER 48 N -0.86 -1.09 0.07 7.28 3.41 -1.19 -4.65 113.62 116.59 1a4w n SER 48 Ca 0.04 -1.84 0.12 0.00 -0.26 0.00 0.00 58.87 56.92 1a4w n SER 48 Cb 0.24 1.85 0.46 0.00 -0.26 0.00 0.00 64.21 66.49 1a4w n SER 48 CO 0.00 0.00 0.00 -0.90 -0.16 0.00 0.00 175.04 173.98 1a4w n ASP 49 N -1.37 0.44 0.00 4.04 5.75 -1.26 -3.69 116.55 120.45 1a4w n ASP 49 Ca -0.04 0.57 0.00 0.00 -0.01 0.00 0.00 54.79 55.31 1a4w n ASP 49 Cb 0.30 -0.68 0.00 0.00 -1.03 0.00 0.00 41.12 39.72 1a4w n ASP 49 CO 0.00 0.00 0.00 0.54 -0.11 0.00 0.00 177.20 177.63 1a4w n ARG 50 N -1.94 2.06 -4.95 0.11 5.12 -1.26 0.08 116.66 115.88 1a4w n ARG 50 Ca 0.04 -0.20 -0.27 0.00 -1.93 0.00 0.00 57.85 55.49 1a4w n ARG 50 Cb 0.30 -0.65 -0.16 0.00 -1.16 0.00 0.00 32.46 30.79 1a4w n ARG 50 CO 0.00 0.00 0.00 -1.58 -1.93 0.00 0.00 177.63 174.12 1a4w s TRP 51 N -0.35 1.84 -0.08 -1.55 0.52 -1.24 -0.46 118.94 117.62 1a4w s TRP 51 Ca 0.00 -0.46 0.04 0.00 0.02 0.00 0.00 56.10 55.70 1a4w s TRP 51 Cb 0.00 -1.21 -0.00 0.00 -1.15 0.00 0.00 33.47 31.11 1a4w s TRP 51 CO 0.00 -0.12 -0.22 0.08 0.02 0.00 0.00 176.95 176.71 1a4w s VAL 52 N -0.18 1.85 -0.09 4.03 1.01 0.99 -2.06 120.40 125.94 1a4w s VAL 52 Ca 0.01 -0.91 -0.04 0.00 0.00 0.00 0.00 61.98 61.04 1a4w s VAL 52 Cb -0.10 -1.60 -0.04 0.00 0.00 0.00 0.00 36.38 34.64 1a4w s VAL 52 CO 0.01 0.51 0.06 -0.22 0.00 0.00 0.00 175.10 175.47 1a4w s LEU 53 N 0.27 3.92 0.00 3.92 2.96 0.47 -1.59 118.68 128.63 1a4w s LEU 53 Ca -0.14 0.27 -0.07 0.00 -0.22 0.00 0.00 54.13 53.97 1a4w s LEU 53 Cb -0.16 -1.94 0.03 0.00 0.50 0.00 0.00 46.19 44.61 1a4w s LEU 53 CO 0.07 0.39 0.49 1.07 -1.32 0.00 0.00 176.35 177.04 1a4w n THR 54 N 2.02 0.00 -3.17 3.68 5.66 -0.63 -0.65 114.28 121.20 1a4w n THR 54 Ca -0.19 -0.88 -0.39 0.00 -3.05 0.00 0.00 64.05 59.54 1a4w n THR 54 Cb 0.54 0.72 -0.05 0.00 -1.55 0.00 0.00 70.33 69.99 1a4w n THR 54 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 1a4w s ALA 55 N -1.98 3.42 0.41 1.79 0.00 -1.26 -0.72 121.76 123.42 1a4w s ALA 55 Ca 0.14 0.02 0.14 0.00 0.00 0.00 0.00 51.96 52.26 1a4w s ALA 55 Cb -0.03 -2.81 1.01 0.00 0.00 0.00 0.00 23.12 21.29 1a4w s ALA 55 CO 0.10 0.01 1.91 0.00 0.00 0.00 0.00 175.76 177.78 1a4w h ALA 56 N 6.41 2.06 0.00 0.00 0.00 -1.70 -2.31 119.26 123.72 1a4w h ALA 56 Ca -0.42 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.49 1a4w h ALA 56 Cb 1.19 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.91 1a4w h ALA 56 CO 0.74 -0.26 0.00 -2.39 0.00 0.00 0.00 179.25 177.33 1a4w n HIS 57 N -4.49 0.01 0.13 0.00 1.44 -1.26 -0.59 115.22 110.47 1a4w n HIS 57 Ca 0.15 0.00 -0.01 0.00 -2.01 0.00 0.00 57.72 55.85 1a4w n HIS 57 Cb 0.51 -0.51 0.16 0.00 0.12 0.00 0.00 29.99 30.27 1a4w n HIS 57 CO 0.00 0.00 0.00 0.00 -2.81 0.00 0.00 176.34 173.53 1a4w n LEU 59 N -3.74 2.73 -3.74 0.00 4.32 -0.54 -4.84 117.00 111.19 1a4w n LEU 59 Ca -0.01 -0.01 -0.24 0.00 -0.02 0.00 0.00 56.01 55.74 1a4w n LEU 59 Cb 0.64 -0.91 -0.17 0.00 -1.62 0.00 0.00 43.42 41.35 1a4w n LEU 59 CO 0.42 0.85 -0.37 -0.22 -1.22 0.00 0.00 177.39 176.85 1a4w s LEU 60 N -6.78 0.61 0.07 2.23 2.96 0.25 -0.40 118.68 117.61 1a4w s LEU 60 Ca -0.35 -0.23 -0.19 0.00 -0.22 0.00 0.00 54.13 53.14 1a4w s LEU 60 Cb 0.10 -0.41 0.04 0.00 0.50 0.00 0.00 46.19 46.42 1a4w s LEU 60 CO 0.59 -0.23 0.46 -0.47 -1.32 0.00 0.00 176.35 175.38 1a4w s TYR 60 N 1.99 -0.32 0.00 5.38 5.04 0.33 -4.08 117.35 125.69 1a4w s TYR 60 Ca 0.04 0.25 0.00 0.00 -2.44 0.00 0.00 57.07 54.92 1a4w s TYR 60 Cb -0.13 0.29 0.00 0.00 0.35 0.00 0.00 41.96 42.46 1a4w s TYR 60 CO -0.06 -0.64 0.00 -2.30 -1.34 0.00 0.00 175.55 171.22 1a4w n PRO 60 N 0.28 0.00 -0.48 4.97 -0.02 -1.26 -2.41 135.00 136.08 1a4w n PRO 60 Ca -0.18 0.00 0.11 0.00 -2.02 0.00 0.00 63.50 61.41 1a4w n PRO 60 Cb 0.61 -0.03 0.34 0.00 -0.02 0.00 0.00 33.50 34.40 1a4w n PRO 60 CO 0.00 0.00 0.00 0.91 1.98 0.00 0.00 175.50 178.39 1a4w n TRP 60 N 0.00 1.20 -2.38 6.00 7.02 -1.26 -4.97 117.44 123.06 1a4w n TRP 60 Ca 0.00 -0.55 -0.17 0.00 -1.02 0.00 0.00 57.50 55.76 1a4w n TRP 60 Cb 0.00 -0.10 -0.00 0.00 -2.42 0.00 0.00 31.31 28.78 1a4w n TRP 60 CO 0.00 0.00 0.00 -0.25 -2.02 0.00 0.00 177.69 175.42 1a4w n ASP 60 N 1.46 -5.01 -4.75 -0.99 8.00 -1.11 -4.99 116.55 109.16 1a4w n ASP 60 Ca 0.25 -0.04 -0.36 0.00 0.71 0.00 0.00 54.79 55.36 1a4w n ASP 60 Cb 0.74 -4.08 -0.08 0.00 -0.02 0.00 0.00 41.12 37.68 1a4w n ASP 60 CO 0.00 0.00 0.00 -0.75 -0.39 0.00 0.00 177.20 176.06 1a4w s LYS 60 N -4.91 4.12 -0.48 -1.24 2.20 -1.01 -5.01 119.74 113.42 1a4w s LYS 60 Ca 0.03 -0.14 0.07 0.00 -0.36 0.00 0.00 55.97 55.56 1a4w s LYS 60 Cb -0.01 -3.40 0.19 0.00 -1.51 0.00 0.00 37.83 33.10 1a4w s LYS 60 CO 0.03 0.34 0.72 1.21 -0.36 0.00 0.00 175.35 177.29 1a4w s ASN 60 N 0.22 -1.42 0.29 1.43 2.47 -1.21 -0.51 114.94 116.21 1a4w s ASN 60 Ca 0.11 -1.37 -0.24 0.00 0.42 0.00 0.00 52.86 51.78 1a4w s ASN 60 Cb -0.12 1.85 -0.09 0.00 -1.45 0.00 0.00 41.25 41.44 1a4w s ASN 60 CO -0.00 -0.09 0.87 -0.36 -3.72 0.00 0.00 177.10 173.81 1a4w s PHE 60 N 1.20 3.66 0.34 0.43 0.08 0.46 -5.01 117.98 119.15 1a4w s PHE 60 Ca 0.25 1.65 0.09 0.00 0.12 0.00 0.00 56.93 59.04 1a4w s PHE 60 Cb -0.01 -2.82 -0.05 0.00 -0.57 0.00 0.00 43.02 39.57 1a4w s PHE 60 CO -0.06 0.24 0.06 0.95 -0.10 0.00 0.00 175.22 176.31 1a4w s THR 60 N -1.61 2.73 0.28 0.64 -4.23 -1.26 -4.87 115.64 107.32 1a4w s THR 60 Ca 0.48 -1.86 -0.01 0.00 -1.18 0.00 0.00 61.69 59.12 1a4w s THR 60 Cb -0.18 -2.87 0.32 0.00 1.34 0.00 0.00 72.50 71.11 1a4w s THR 60 CO 0.22 -0.18 1.63 -0.33 -0.54 0.00 0.00 174.62 175.42 1a4w h GLU 61 N 1.70 0.13 0.00 3.99 3.07 -1.94 -1.06 114.58 120.47 1a4w h GLU 61 Ca -0.43 -0.01 0.00 0.00 -0.50 0.00 0.00 59.36 58.42 1a4w h GLU 61 Cb 1.25 -0.03 0.00 0.00 -0.84 0.00 0.00 28.75 29.13 1a4w h GLU 61 CO 0.66 0.09 0.00 -2.95 -1.40 0.00 0.00 179.01 175.41 1a4w h ASN 62 N 0.14 0.00 1.67 1.42 -1.07 -1.96 -2.98 115.58 112.79 1a4w h ASN 62 Ca 0.52 0.00 -0.06 0.00 0.07 0.00 0.00 56.30 56.83 1a4w h ASN 62 Cb 1.03 0.00 -0.01 0.00 -2.07 0.00 0.00 38.32 37.27 1a4w h ASN 62 CO -0.71 0.00 -0.27 0.44 0.07 0.00 0.00 177.43 176.96 1a4w h ASP 63 N 0.00 0.00 -3.08 6.14 3.32 -1.59 -3.48 116.42 117.73 1a4w h ASP 63 Ca 0.00 0.00 -0.49 0.00 0.02 0.00 0.00 57.03 56.56 1a4w h ASP 63 Cb 0.42 0.00 -0.14 0.00 0.22 0.00 0.00 39.33 39.84 1a4w h ASP 63 CO 0.00 0.27 -0.62 -0.76 -1.72 0.00 0.00 179.24 176.41 1a4w s LEU 64 N -6.37 2.28 0.06 1.55 1.43 -1.13 -2.45 118.68 114.06 1a4w s LEU 64 Ca 0.05 -1.35 0.03 0.00 -1.03 0.00 0.00 54.13 51.83 1a4w s LEU 64 Cb 0.07 -0.45 -0.03 0.00 0.03 0.00 0.00 46.19 45.80 1a4w s LEU 64 CO 0.71 -0.56 -0.09 -0.76 0.23 0.00 0.00 176.35 175.87 1a4w s LEU 65 N -3.50 2.29 -0.22 1.79 1.43 -0.45 -4.52 118.68 115.51 1a4w s LEU 65 Ca 0.35 -0.62 -0.08 0.00 -1.03 0.00 0.00 54.13 52.76 1a4w s LEU 65 Cb 0.08 -0.24 -0.04 0.00 0.03 0.00 0.00 46.19 46.03 1a4w s LEU 65 CO 0.15 -0.20 0.08 -0.69 0.23 0.00 0.00 176.35 175.92 1a4w s VAL 66 N -1.62 4.65 -0.26 -1.59 1.01 -0.41 -1.30 120.40 120.88 1a4w s VAL 66 Ca -0.05 -0.07 -0.03 0.00 0.00 0.00 0.00 61.98 61.82 1a4w s VAL 66 Cb -0.08 -3.14 0.02 0.00 0.00 0.00 0.00 36.38 33.18 1a4w s VAL 66 CO 0.00 0.39 -0.01 -0.13 0.00 0.00 0.00 175.10 175.35 1a4w s ARG 67 N 1.01 2.95 0.04 2.72 0.52 -0.46 0.06 118.95 125.78 1a4w s ARG 67 Ca 0.04 -0.92 0.05 0.00 -0.52 0.00 0.00 55.73 54.39 1a4w s ARG 67 Cb -0.14 -3.11 -0.03 0.00 0.52 0.00 0.00 34.95 32.19 1a4w s ARG 67 CO 0.03 -0.40 -0.12 0.42 0.02 0.00 0.00 175.30 175.25 1a4w s ILE 68 N 1.39 3.26 0.00 1.52 1.01 0.19 -0.80 121.20 127.77 1a4w s ILE 68 Ca 0.01 -1.02 0.00 0.00 0.00 0.00 0.00 60.65 59.64 1a4w s ILE 68 Cb -0.17 -2.42 0.00 0.00 0.01 0.00 0.00 42.46 39.88 1a4w s ILE 68 CO -0.02 0.32 0.00 0.61 0.00 0.00 0.00 174.94 175.85 1a4w n GLY 69 N 1.41 0.60 3.87 6.18 0.00 -1.26 -0.98 105.19 115.01 1a4w n GLY 69 Ca -0.15 -0.28 -0.30 0.00 0.00 0.00 0.00 46.02 45.28 1a4w n GLY 69 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1a4w s LYS 70 N -0.68 3.06 0.15 1.61 1.02 -1.26 -4.36 119.74 119.28 1a4w s LYS 70 Ca 0.00 0.60 0.00 0.00 0.02 0.00 0.00 55.97 56.59 1a4w s LYS 70 Cb 0.00 -2.03 0.00 0.00 -0.52 0.00 0.00 37.83 35.28 1a4w s LYS 70 CO 0.00 -0.92 0.00 1.58 -0.92 0.00 0.00 175.35 175.09 1a4w n HIS 71 N -2.96 -1.18 -2.40 3.18 -0.00 -1.26 -4.91 115.22 105.70 1a4w n HIS 71 Ca 0.07 0.21 -0.41 0.00 -0.00 0.00 0.00 57.72 57.59 1a4w n HIS 71 Cb 0.56 0.41 -0.04 0.00 -0.00 0.00 0.00 29.99 30.92 1a4w n HIS 71 CO 0.00 0.00 0.00 0.45 -0.00 0.00 0.00 176.34 176.79 1a4w s SER 72 N -5.16 7.15 0.15 0.26 0.15 -1.26 -0.58 113.70 114.41 1a4w s SER 72 Ca 0.00 2.32 -0.13 0.00 0.70 0.00 0.00 55.95 58.84 1a4w s SER 72 Cb 0.00 -2.63 0.02 0.00 -1.71 0.00 0.00 66.02 61.70 1a4w s SER 72 CO 0.00 -0.25 1.62 -0.09 1.20 0.00 0.00 173.24 175.71 1a4w h ARG 73 N 4.09 0.82 0.00 5.44 2.43 -0.81 -3.39 114.38 122.96 1a4w h ARG 73 Ca -0.46 -0.23 0.00 0.00 -0.81 0.00 0.00 59.98 58.47 1a4w h ARG 73 Cb 1.21 -0.09 0.00 0.00 -0.42 0.00 0.00 29.97 30.68 1a4w h ARG 73 CO 0.68 0.83 -1.06 2.41 -1.51 0.00 0.00 179.97 181.33 1a4w n THR 74 N -4.40 0.00 -2.77 0.20 -1.04 -1.26 -4.98 114.28 100.03 1a4w n THR 74 Ca 0.01 -0.24 -0.36 0.00 -2.04 0.00 0.00 64.05 61.42 1a4w n THR 74 Cb 0.27 0.55 -0.06 0.00 -1.82 0.00 0.00 70.33 69.27 1a4w n THR 74 CO 0.00 0.00 0.00 -0.13 -0.64 0.00 0.00 175.07 174.30 1a4w s ARG 75 N -2.36 4.43 -0.48 -2.82 0.52 -1.26 -4.98 118.95 111.99 1a4w s ARG 75 Ca -0.01 1.28 -0.26 0.00 -0.52 0.00 0.00 55.73 56.22 1a4w s ARG 75 Cb 0.06 -2.58 0.03 0.00 0.52 0.00 0.00 34.95 32.99 1a4w s ARG 75 CO 0.38 0.14 0.98 -0.47 0.02 0.00 0.00 175.30 176.36 1a4w s TYR 76 N -1.80 2.87 -1.25 -0.53 5.04 -1.26 -4.91 117.35 115.52 1a4w s TYR 76 Ca 0.55 0.41 -0.13 0.00 -2.44 0.00 0.00 57.07 55.46 1a4w s TYR 76 Cb -0.16 -4.11 0.16 0.00 0.35 0.00 0.00 41.96 38.20 1a4w s TYR 76 CO 0.21 -1.19 1.60 0.39 -1.34 0.00 0.00 175.55 175.22 1a4w n GLU 77 N 7.40 3.40 -1.67 4.97 1.02 -1.26 -4.99 120.64 129.51 1a4w n GLU 77 Ca 0.07 -3.68 -0.45 0.00 -0.02 0.00 0.00 57.16 53.08 1a4w n GLU 77 Cb 0.49 -3.06 -0.03 0.00 -0.02 0.00 0.00 31.44 28.81 1a4w n GLU 77 CO 0.00 0.00 0.00 0.54 1.18 0.00 0.00 177.13 178.85 1a4w n ARG 77 N 5.46 2.06 -0.73 3.49 1.74 -1.26 -0.35 116.66 127.08 1a4w n ARG 77 Ca 0.39 0.74 0.00 0.00 -0.77 0.00 0.00 57.85 58.21 1a4w n ARG 77 Cb 0.41 -2.43 0.00 0.00 -1.02 0.00 0.00 32.46 29.42 1a4w n ARG 77 CO 0.00 0.00 0.00 0.09 -1.52 0.00 0.00 177.63 176.20 1a4w n ASN 78 N 2.50 0.00 -0.02 0.55 4.13 -1.26 -4.77 115.26 116.39 1a4w n ASN 78 Ca 0.13 0.00 -0.06 0.00 1.68 0.00 0.00 54.58 56.33 1a4w n ASN 78 Cb 0.31 -0.98 -0.02 0.00 -1.54 0.00 0.00 39.78 37.54 1a4w n ASN 78 CO 0.00 0.00 0.00 -0.38 0.28 0.00 0.00 177.26 177.16 1a4w n ILE 79 N -2.00 1.04 -2.72 2.41 5.41 0.53 -5.05 119.36 118.98 1a4w n ILE 79 Ca 0.00 0.15 -0.31 0.00 1.00 0.00 0.00 62.75 63.58 1a4w n ILE 79 Cb 0.00 -1.78 -0.04 0.00 -0.71 0.00 0.00 39.64 37.12 1a4w n ILE 79 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 176.55 174.72 1a4w s GLU 80 N -2.27 3.89 -0.00 0.38 -1.05 -0.52 -4.83 118.70 114.29 1a4w s GLU 80 Ca -0.12 0.70 0.06 0.00 -0.15 0.00 0.00 54.97 55.47 1a4w s GLU 80 Cb 0.03 -2.29 -0.02 0.00 -0.44 0.00 0.00 34.13 31.41 1a4w s GLU 80 CO 0.16 -0.10 -0.20 0.15 0.95 0.00 0.00 175.26 176.22 1a4w s LYS 81 N -3.79 1.61 -0.11 -4.83 3.01 -0.15 -4.90 119.74 110.58 1a4w s LYS 81 Ca 0.55 -0.77 0.02 0.00 -1.01 0.00 0.00 55.97 54.76 1a4w s LYS 81 Cb -0.10 -1.58 -0.01 0.00 -1.01 0.00 0.00 37.83 35.12 1a4w s LYS 81 CO 0.29 0.43 -0.16 0.42 0.51 0.00 0.00 175.35 176.84 1a4w s ILE 82 N -0.54 2.81 0.14 2.17 1.01 -1.26 -0.63 121.20 124.90 1a4w s ILE 82 Ca 0.08 -0.76 0.05 0.00 0.00 0.00 0.00 60.65 60.01 1a4w s ILE 82 Cb -0.08 -2.14 -0.04 0.00 0.01 0.00 0.00 42.46 40.20 1a4w s ILE 82 CO -0.00 0.54 -0.11 -0.44 0.00 0.00 0.00 174.94 174.93 1a4w s SER 83 N 0.15 1.81 0.08 3.58 0.01 0.11 -4.99 113.70 114.45 1a4w s SER 83 Ca -0.09 -0.94 -0.02 0.00 1.31 0.00 0.00 55.95 56.21 1a4w s SER 83 Cb -0.15 -0.02 -0.05 0.00 0.21 0.00 0.00 66.02 66.01 1a4w s SER 83 CO 0.05 -0.28 0.27 -0.04 0.41 0.00 0.00 173.24 173.65 1a4w s MET 84 N -3.38 3.51 -0.00 12.44 -1.94 -1.26 -1.28 119.30 127.37 1a4w s MET 84 Ca 0.14 -0.30 -0.11 0.00 -1.71 0.00 0.00 55.69 53.70 1a4w s MET 84 Cb 0.00 -2.98 -0.05 0.00 2.01 0.00 0.00 34.83 33.81 1a4w s MET 84 CO 0.01 0.57 0.34 -0.51 -0.01 0.00 0.00 175.02 175.42 1a4w s LEU 85 N -2.50 4.42 -0.16 -0.03 1.43 -1.26 -0.53 118.68 120.04 1a4w s LEU 85 Ca 0.36 0.80 0.01 0.00 -1.03 0.00 0.00 54.13 54.27 1a4w s LEU 85 Cb -0.13 -2.59 -0.23 0.00 0.03 0.00 0.00 46.19 43.28 1a4w s LEU 85 CO 0.26 0.30 0.17 1.21 0.23 0.00 0.00 176.35 178.52 1a4w n GLU 86 N 1.58 0.70 -3.62 1.70 2.13 0.12 -4.70 120.64 118.56 1a4w n GLU 86 Ca -0.13 0.20 -0.14 0.00 0.66 0.00 0.00 57.16 57.75 1a4w n GLU 86 Cb 0.53 -1.64 -0.07 0.00 0.27 0.00 0.00 31.44 30.53 1a4w n GLU 86 CO 0.00 0.00 0.00 0.21 -0.41 0.00 0.00 177.13 176.93 1a4w s LYS 87 N -2.54 0.81 -0.09 5.31 2.36 -1.17 -5.02 119.74 119.39 1a4w s LYS 87 Ca -0.24 0.84 0.00 0.00 -2.55 0.00 0.00 55.97 54.03 1a4w s LYS 87 Cb 0.08 0.39 -0.03 0.00 -1.05 0.00 0.00 37.83 37.22 1a4w s LYS 87 CO 0.72 -0.12 -0.08 0.42 1.55 0.00 0.00 175.35 177.84 1a4w s ILE 88 N 0.16 3.57 -0.11 5.43 1.01 -1.26 -1.48 121.20 128.51 1a4w s ILE 88 Ca -0.01 -0.51 0.00 0.00 0.00 0.00 0.00 60.65 60.13 1a4w s ILE 88 Cb -0.04 -2.47 0.02 0.00 0.01 0.00 0.00 42.46 39.98 1a4w s ILE 88 CO 0.01 0.57 -0.10 -0.31 0.00 0.00 0.00 174.94 175.11 1a4w s TYR 89 N -0.47 1.63 -0.02 3.97 2.02 0.79 -4.99 117.35 120.28 1a4w s TYR 89 Ca 0.07 -0.82 -0.03 0.00 -0.37 0.00 0.00 57.07 55.92 1a4w s TYR 89 Cb -0.12 -1.29 -0.04 0.00 -0.40 0.00 0.00 41.96 40.11 1a4w s TYR 89 CO 0.02 -0.52 0.15 0.42 -1.57 0.00 0.00 175.55 174.05 1a4w s ILE 90 N 1.52 5.25 0.15 2.71 1.01 -1.26 -0.13 121.20 130.44 1a4w s ILE 90 Ca 0.02 -0.17 -0.32 0.00 0.00 0.00 0.00 60.65 60.18 1a4w s ILE 90 Cb -0.13 -3.41 -0.12 0.00 0.01 0.00 0.00 42.46 38.81 1a4w s ILE 90 CO -0.07 0.38 1.76 1.57 0.00 0.00 0.00 174.94 178.58 1a4w n HIS 91 N 1.17 2.61 -0.06 3.97 -0.00 -1.02 -4.83 115.22 117.07 1a4w n HIS 91 Ca -0.13 -0.02 0.24 0.00 -0.00 0.00 0.00 57.72 57.82 1a4w n HIS 91 Cb 0.53 -2.68 0.72 0.00 -0.00 0.00 0.00 29.99 28.56 1a4w n HIS 91 CO 0.00 0.00 0.00 -1.00 -0.00 0.00 0.00 176.34 175.34 1a4w h PRO 92 N 7.57 0.00 -0.36 1.57 0.13 -1.95 -2.05 132.00 136.92 1a4w h PRO 92 Ca -0.45 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.68 1a4w h PRO 92 Cb 1.22 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.35 1a4w h PRO 92 CO 0.94 0.00 0.00 0.54 -0.23 0.00 0.00 178.00 179.25 1a4w n ARG 93 N -4.07 3.48 -1.69 0.86 1.74 -1.26 -4.99 116.66 110.72 1a4w n ARG 93 Ca 0.13 -2.92 -0.44 0.00 -0.77 0.00 0.00 57.85 53.86 1a4w n ARG 93 Cb 0.80 -1.95 -0.04 0.00 -1.02 0.00 0.00 32.46 30.25 1a4w n ARG 93 CO 0.00 0.00 0.00 0.98 -1.52 0.00 0.00 177.63 177.09 1a4w n TYR 94 N -0.15 2.55 -3.48 -1.55 9.36 -0.77 -4.73 117.16 118.39 1a4w n TYR 94 Ca 0.23 0.07 -0.42 0.00 3.32 0.00 0.00 57.90 61.10 1a4w n TYR 94 Cb 0.97 -2.65 -0.04 0.00 -0.63 0.00 0.00 39.34 36.99 1a4w n TYR 94 CO 0.00 0.00 0.00 1.21 0.22 0.00 0.00 176.86 178.29 1a4w s ASN 95 N 1.61 6.49 0.31 2.98 3.84 -0.09 -4.81 114.94 125.27 1a4w s ASN 95 Ca 0.79 -3.32 0.24 0.00 0.21 0.00 0.00 52.86 50.78 1a4w s ASN 95 Cb -0.57 -2.07 0.44 0.00 -0.55 0.00 0.00 41.25 38.51 1a4w s ASN 95 CO 0.36 -0.33 1.57 4.11 -2.79 0.00 0.00 177.10 180.02 1a4w h TRP 96 N 6.78 0.00 0.00 0.43 5.08 -1.91 0.17 115.95 126.50 1a4w h TRP 96 Ca 0.13 0.00 -0.06 0.00 1.08 0.00 0.00 58.89 60.04 1a4w h TRP 96 Cb 0.91 0.00 -0.01 0.00 -3.00 0.00 0.00 29.16 27.06 1a4w h TRP 96 CO 0.81 0.00 -0.28 0.00 -1.28 0.00 0.00 178.44 177.68 1a4w h ARG 97 N 0.00 0.00 0.00 0.12 3.08 -2.00 -3.44 114.38 112.14 1a4w h ARG 97 Ca 0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.05 1a4w h ARG 97 Cb 0.90 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.95 1a4w h ARG 97 CO 0.00 0.28 0.00 -1.91 -1.07 0.00 0.00 179.97 177.27 1a4w n GLU 97 N -3.44 0.00 -0.19 0.04 2.13 -1.23 -5.02 120.64 112.93 1a4w n GLU 97 Ca 0.00 0.00 0.03 0.00 0.66 0.00 0.00 57.16 57.85 1a4w n GLU 97 Cb 0.47 -0.15 0.04 0.00 0.27 0.00 0.00 31.44 32.06 1a4w n GLU 97 CO 0.00 0.00 0.00 0.27 -0.41 0.00 0.00 177.13 176.99 1a4w n ASN 98 N -3.19 0.95 -2.68 4.31 2.04 -1.20 -4.94 115.26 110.55 1a4w n ASN 98 Ca 0.00 -2.04 -0.18 0.00 -0.44 0.00 0.00 54.58 51.92 1a4w n ASN 98 Cb 0.00 -0.18 0.00 0.00 -2.53 0.00 0.00 39.78 37.07 1a4w n ASN 98 CO 0.00 0.00 0.00 0.18 -0.44 0.00 0.00 177.26 177.00 1a4w n LEU 99 N -0.45 -1.71 -4.76 -4.53 4.32 0.60 -4.97 117.00 105.50 1a4w n LEU 99 Ca 0.04 -0.04 -0.38 0.00 -0.02 0.00 0.00 56.01 55.61 1a4w n LEU 99 Cb 0.56 -2.52 0.02 0.00 -1.62 0.00 0.00 43.42 39.86 1a4w n LEU 99 CO 0.00 -0.04 0.95 -0.62 -1.22 0.00 0.00 177.39 176.47 1a4w s ASP 100 N -2.27 5.66 -1.33 -1.43 2.15 -1.22 -2.92 116.67 115.32 1a4w s ASP 100 Ca 0.12 2.66 -0.06 0.00 0.43 0.00 0.00 52.55 55.70 1a4w s ASP 100 Cb -0.06 -2.63 0.01 0.00 -0.30 0.00 0.00 42.92 39.95 1a4w s ASP 100 CO 0.14 -1.30 1.09 0.54 -0.17 0.00 0.00 175.17 175.48 1a4w n ARG 101 N -0.68 -7.20 -2.48 4.34 1.74 -1.26 -0.91 116.66 110.20 1a4w n ARG 101 Ca 0.08 0.80 -0.42 0.00 -0.77 0.00 0.00 57.85 57.54 1a4w n ARG 101 Cb 0.45 -5.81 -0.00 0.00 -1.02 0.00 0.00 32.46 26.08 1a4w n ARG 101 CO 0.00 0.00 0.00 -3.47 -1.52 0.00 0.00 177.63 172.64 1a4w n ASP 102 N -3.04 4.77 -3.77 0.55 2.03 -1.15 -4.23 116.55 111.72 1a4w n ASP 102 Ca -0.09 -2.90 -0.13 0.00 0.52 0.00 0.00 54.79 52.18 1a4w n ASP 102 Cb 0.60 -1.74 -0.10 0.00 -0.72 0.00 0.00 41.12 39.16 1a4w n ASP 102 CO 0.00 0.00 0.00 -0.51 -1.92 0.00 0.00 177.20 174.77 1a4w s ILE 103 N 4.37 0.02 -0.03 5.18 2.07 -1.26 -3.87 121.20 127.68 1a4w s ILE 103 Ca 0.54 -0.18 -0.10 0.00 -1.41 0.00 0.00 60.65 59.50 1a4w s ILE 103 Cb 0.05 -0.50 0.02 0.00 0.13 0.00 0.00 42.46 42.15 1a4w s ILE 103 CO 0.07 -0.10 0.23 0.00 -1.91 0.00 0.00 174.94 173.23 1a4w s ALA 104 N -0.36 -0.57 0.03 1.50 0.00 0.10 -2.43 121.76 120.04 1a4w s ALA 104 Ca -0.05 0.25 0.04 0.00 0.00 0.00 0.00 51.96 52.20 1a4w s ALA 104 Cb -0.03 -0.04 -0.04 0.00 0.00 0.00 0.00 23.12 23.01 1a4w s ALA 104 CO 0.02 -0.20 -0.05 -0.51 0.00 0.00 0.00 175.76 175.01 1a4w s LEU 105 N -0.97 3.23 -0.06 0.00 1.43 0.81 -1.60 118.68 121.53 1a4w s LEU 105 Ca -0.11 -0.17 0.00 0.00 -1.03 0.00 0.00 54.13 52.83 1a4w s LEU 105 Cb -0.05 -1.90 0.02 0.00 0.03 0.00 0.00 46.19 44.30 1a4w s LEU 105 CO 0.02 0.25 -0.04 -0.04 0.23 0.00 0.00 176.35 176.78 1a4w s MET 106 N -1.67 0.82 -0.25 1.70 -1.94 -0.62 -0.15 119.30 117.19 1a4w s MET 106 Ca 0.19 -0.06 -0.13 0.00 -1.71 0.00 0.00 55.69 53.97 1a4w s MET 106 Cb -0.11 -0.92 -0.04 0.00 2.01 0.00 0.00 34.83 35.77 1a4w s MET 106 CO 0.10 -0.15 0.30 0.21 -0.01 0.00 0.00 175.02 175.48 1a4w s LYS 107 N 1.22 4.06 0.42 2.03 2.20 -0.55 -0.01 119.74 129.11 1a4w s LYS 107 Ca -0.06 -0.05 -0.24 0.00 -0.36 0.00 0.00 55.97 55.26 1a4w s LYS 107 Cb -0.14 -3.60 -0.08 0.00 -1.51 0.00 0.00 37.83 32.50 1a4w s LYS 107 CO -0.02 -0.13 1.08 -0.51 -0.36 0.00 0.00 175.35 175.42 1a4w s LEU 108 N 1.60 4.09 0.36 5.43 1.43 0.40 0.14 118.68 132.12 1a4w s LEU 108 Ca 0.13 2.11 0.05 0.00 -1.03 0.00 0.00 54.13 55.39 1a4w s LEU 108 Cb -0.15 -4.22 0.67 0.00 0.03 0.00 0.00 46.19 42.52 1a4w s LEU 108 CO 0.08 -0.63 1.93 0.11 0.23 0.00 0.00 176.35 178.08 1a4w h LYS 109 N 2.33 0.56 -3.87 1.70 1.57 -1.09 -3.41 116.57 114.35 1a4w h LYS 109 Ca -0.49 -0.09 -0.17 0.00 -1.87 0.00 0.00 60.65 58.03 1a4w h LYS 109 Cb 1.22 -0.10 -0.22 0.00 0.08 0.00 0.00 32.23 33.22 1a4w h LYS 109 CO 0.62 0.51 -0.66 0.15 -0.57 0.00 0.00 179.45 179.49 1a4w s LYS 110 N -5.17 0.31 0.46 3.15 1.02 -1.26 -4.97 119.74 113.28 1a4w s LYS 110 Ca -0.08 -0.50 -0.25 0.00 0.02 0.00 0.00 55.97 55.16 1a4w s LYS 110 Cb 0.16 0.11 -0.08 0.00 -0.52 0.00 0.00 37.83 37.50 1a4w s LYS 110 CO 0.76 -0.06 1.37 -0.35 -0.92 0.00 0.00 175.35 176.15 1a4w n PRO 111 N 1.74 2.08 -3.82 -1.68 -0.04 -1.26 -4.86 135.00 127.15 1a4w n PRO 111 Ca -0.22 0.74 -0.31 0.00 -0.04 0.00 0.00 63.50 63.67 1a4w n PRO 111 Cb 0.56 -2.55 -0.04 0.00 -0.04 0.00 0.00 33.50 31.42 1a4w n PRO 111 CO 0.00 0.00 0.00 0.54 -0.04 0.00 0.00 175.50 176.00 1a4w s VAL 112 N -1.21 5.30 -0.04 0.52 0.11 0.11 -5.00 120.40 120.19 1a4w s VAL 112 Ca 0.62 -0.22 -0.19 0.00 -2.93 0.00 0.00 61.98 59.26 1a4w s VAL 112 Cb -0.46 -3.63 -0.05 0.00 -1.53 0.00 0.00 36.38 30.71 1a4w s VAL 112 CO 0.57 0.10 0.52 0.00 -3.33 0.00 0.00 175.10 172.96 1a4w s ALA 113 N -1.57 3.52 0.61 1.54 0.00 -1.26 -4.76 121.76 119.83 1a4w s ALA 113 Ca 0.37 -0.09 -0.15 0.00 0.00 0.00 0.00 51.96 52.10 1a4w s ALA 113 Cb -0.13 -2.65 -0.03 0.00 0.00 0.00 0.00 23.12 20.31 1a4w s ALA 113 CO 0.27 0.16 1.05 -0.06 0.00 0.00 0.00 175.76 177.18 1a4w s PHE 114 N -0.05 3.06 0.09 0.00 0.08 -1.26 -4.92 117.98 114.98 1a4w s PHE 114 Ca 0.28 1.49 -0.03 0.00 0.12 0.00 0.00 56.93 58.79 1a4w s PHE 114 Cb -0.17 -2.96 0.01 0.00 -0.57 0.00 0.00 43.02 39.33 1a4w s PHE 114 CO 0.14 -1.06 0.17 -1.13 -0.10 0.00 0.00 175.22 173.24 1a4w n SER 115 N -2.21 -0.50 0.27 1.36 3.41 -0.50 -4.95 113.62 110.50 1a4w n SER 115 Ca 0.08 -1.37 0.16 0.00 -0.26 0.00 0.00 58.87 57.49 1a4w n SER 115 Cb 0.53 0.84 0.68 0.00 -0.26 0.00 0.00 64.21 66.00 1a4w n SER 115 CO 0.00 0.00 0.00 0.44 -0.16 0.00 0.00 175.04 175.32 1a4w h ASP 116 N 0.45 0.00 -0.00 4.04 3.32 -1.99 -3.08 116.42 119.15 1a4w h ASP 116 Ca -0.07 0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.98 1a4w h ASP 116 Cb 0.28 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.83 1a4w h ASP 116 CO 0.09 0.04 -0.57 -1.22 -1.72 0.00 0.00 179.24 175.86 1a4w n TYR 117 N -3.16 0.00 -3.88 4.55 4.01 -1.26 -4.78 117.16 112.65 1a4w n TYR 117 Ca 0.00 0.00 -0.30 0.00 -0.16 0.00 0.00 57.90 57.44 1a4w n TYR 117 Cb 0.31 0.00 -0.16 0.00 -0.31 0.00 0.00 39.34 39.18 1a4w n TYR 117 CO 0.00 0.00 0.00 0.42 -0.46 0.00 0.00 176.86 176.82 1a4w s ILE 118 N -2.20 1.31 -0.19 -0.72 1.01 -1.16 -4.25 121.20 115.00 1a4w s ILE 118 Ca 0.08 -1.21 -0.18 0.00 0.00 0.00 0.00 60.65 59.33 1a4w s ILE 118 Cb 0.11 -1.71 0.05 0.00 0.01 0.00 0.00 42.46 40.93 1a4w s ILE 118 CO 0.53 -0.24 0.52 -2.28 0.00 0.00 0.00 174.94 173.47 1a4w s HIS 119 N 1.47 -0.56 0.43 3.97 2.46 -0.85 -1.40 115.29 120.82 1a4w s HIS 119 Ca -0.02 1.35 -0.21 0.00 0.47 0.00 0.00 55.06 56.65 1a4w s HIS 119 Cb -0.18 0.20 -0.11 0.00 -0.13 0.00 0.00 32.58 32.36 1a4w s HIS 119 CO -0.09 -0.28 0.96 -1.25 -2.47 0.00 0.00 174.74 171.60 1a4w s PRO 120 N 0.19 4.19 0.43 2.88 0.04 -1.26 -2.48 135.00 138.99 1a4w s PRO 120 Ca -0.01 1.14 -0.02 0.00 0.04 0.00 0.00 61.00 62.16 1a4w s PRO 120 Cb -0.04 -2.18 -0.02 0.00 0.04 0.00 0.00 34.50 32.30 1a4w s PRO 120 CO 0.01 -0.06 0.67 0.54 0.04 0.00 0.00 177.00 178.20 1a4w s VAL 121 N -2.16 4.65 0.44 -0.36 0.11 -0.68 -4.91 120.40 117.49 1a4w s VAL 121 Ca 0.62 -0.25 -0.08 0.00 -2.93 0.00 0.00 61.98 59.34 1a4w s VAL 121 Cb -0.10 -3.73 -0.05 0.00 -1.53 0.00 0.00 36.38 30.97 1a4w s VAL 121 CO 0.14 -0.57 0.78 0.00 -3.33 0.00 0.00 175.10 172.11 1a4w s LEU 123 N -4.25 4.32 0.63 0.00 1.43 -1.26 -1.12 118.68 118.42 1a4w s LEU 123 Ca 0.49 0.42 -0.17 0.00 -1.03 0.00 0.00 54.13 53.85 1a4w s LEU 123 Cb -0.10 -2.15 -0.01 0.00 0.03 0.00 0.00 46.19 43.96 1a4w s LEU 123 CO 0.38 0.29 1.17 -2.16 0.23 0.00 0.00 176.35 176.25 1a4w s PRO 124 N -0.38 2.80 0.41 1.29 0.04 -1.26 -4.92 135.00 132.97 1a4w s PRO 124 Ca 0.13 1.65 0.01 0.00 0.04 0.00 0.00 61.00 62.83 1a4w s PRO 124 Cb -0.12 -1.93 -0.01 0.00 0.04 0.00 0.00 34.50 32.48 1a4w s PRO 124 CO 0.03 -1.30 0.62 0.16 0.04 0.00 0.00 177.00 176.54 1a4w s ASP 125 N -2.01 6.00 0.27 6.66 3.84 -1.26 -4.88 116.67 125.29 1a4w s ASP 125 Ca 0.73 0.32 0.00 0.00 -0.00 0.00 0.00 52.55 53.60 1a4w s ASP 125 Cb -0.26 -1.69 0.57 0.00 -1.38 0.00 0.00 42.92 40.15 1a4w s ASP 125 CO 0.37 -0.55 1.76 -0.09 -0.00 0.00 0.00 175.17 176.66 1a4w h ARG 126 N 0.54 0.60 0.00 2.11 2.43 -1.97 -1.17 114.38 116.93 1a4w h ARG 126 Ca -0.47 -0.04 -0.12 0.00 -0.81 0.00 0.00 59.98 58.54 1a4w h ARG 126 Cb 1.24 -0.14 -0.02 0.00 -0.42 0.00 0.00 29.97 30.64 1a4w h ARG 126 CO 0.58 0.40 -0.59 1.05 -1.51 0.00 0.00 179.97 179.90 1a4w h GLU 127 N 0.62 0.00 -0.56 0.20 9.09 -2.03 -0.95 114.58 120.94 1a4w h GLU 127 Ca 0.48 0.00 0.00 0.00 0.05 0.00 0.00 59.36 59.89 1a4w h GLU 127 Cb 0.71 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 27.81 1a4w h GLU 127 CO -0.38 0.59 0.00 2.41 0.05 0.00 0.00 179.01 181.68 1a4w n THR 128 N -3.30 0.05 0.00 -1.06 -1.04 -0.44 -0.86 114.28 107.63 1a4w n THR 128 Ca 0.01 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 62.02 1a4w n THR 128 Cb 0.75 -0.28 0.00 0.00 -1.82 0.00 0.00 70.33 68.98 1a4w n THR 128 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1a4w n ALA 129 N 0.32 0.00 -0.27 2.41 0.00 -0.36 -0.75 120.51 121.86 1a4w n ALA 129 Ca 0.00 0.00 -0.05 0.00 0.00 0.00 0.00 53.44 53.39 1a4w n ALA 129 Cb 0.12 0.00 0.06 0.00 0.00 0.00 0.00 19.45 19.63 1a4w n ALA 129 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.50 178.53 1a4w h SER 129 N 0.00 0.94 0.06 0.00 0.87 -1.26 -3.37 113.55 110.79 1a4w h SER 129 Ca 0.00 -0.11 -0.36 0.00 -1.23 0.00 0.00 61.79 60.09 1a4w h SER 129 Cb 0.00 -0.24 -0.07 0.00 -0.44 0.00 0.00 62.40 61.65 1a4w h SER 129 CO 0.00 0.78 -2.30 0.18 -0.53 0.00 0.00 176.83 174.96 1a4w n LEU 129 N -4.44 0.11 -4.16 2.23 4.77 0.08 -4.70 117.00 110.88 1a4w n LEU 129 Ca 0.07 0.05 -0.42 0.00 -0.03 0.00 0.00 56.01 55.67 1a4w n LEU 129 Cb 0.10 0.46 -0.00 0.00 -2.33 0.00 0.00 43.42 41.65 1a4w n LEU 129 CO 0.38 0.48 2.33 0.18 -1.33 0.00 0.00 177.39 179.43 1a4w n LEU 130 N -2.78 5.88 -3.98 2.23 4.77 -1.26 -4.86 117.00 117.00 1a4w n LEU 130 Ca -0.31 -4.02 -0.17 0.00 -0.03 0.00 0.00 56.01 51.48 1a4w n LEU 130 Cb 1.14 -1.70 -0.15 0.00 -2.33 0.00 0.00 43.42 40.38 1a4w n LEU 130 CO 0.43 0.61 -0.42 -1.10 -1.33 0.00 0.00 177.39 175.59 1a4w s GLN 131 N 3.73 0.59 0.24 3.23 -0.21 -1.26 -4.95 119.66 121.04 1a4w s GLN 131 Ca 0.51 -0.23 -0.31 0.00 0.02 0.00 0.00 55.36 55.34 1a4w s GLN 131 Cb 0.09 -0.58 -0.13 0.00 1.00 0.00 0.00 33.01 33.39 1a4w s GLN 131 CO -0.00 0.13 1.39 0.00 -2.12 0.00 0.00 175.29 174.68 1a4w n ALA 132 N 3.02 1.03 0.00 6.09 0.00 -1.26 -1.77 120.51 127.63 1a4w n ALA 132 Ca -0.14 0.41 0.00 0.00 0.00 0.00 0.00 53.44 53.71 1a4w n ALA 132 Cb 0.57 -2.26 0.00 0.00 0.00 0.00 0.00 19.45 17.76 1a4w n ALA 132 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1a4w n GLY 133 N 2.07 2.94 3.77 0.00 0.00 0.15 -4.94 105.19 109.17 1a4w n GLY 133 Ca 0.11 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.76 1a4w n GLY 133 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1a4w s TYR 134 N -2.42 2.91 -0.09 1.61 1.51 -0.73 -4.63 117.35 115.52 1a4w s TYR 134 Ca 0.00 1.53 -0.04 0.00 -1.01 0.00 0.00 57.07 57.55 1a4w s TYR 134 Cb 0.00 -3.41 -0.04 0.00 -0.11 0.00 0.00 41.96 38.41 1a4w s TYR 134 CO 0.00 -1.52 0.07 0.15 -1.11 0.00 0.00 175.55 173.14 1a4w s LYS 135 N -2.58 3.18 0.40 -0.62 1.02 -1.26 -0.65 119.74 119.23 1a4w s LYS 135 Ca 0.62 -0.31 0.00 0.00 0.02 0.00 0.00 55.97 56.30 1a4w s LYS 135 Cb -0.30 -2.96 -0.00 0.00 -0.52 0.00 0.00 37.83 34.05 1a4w s LYS 135 CO 0.37 0.73 0.01 0.41 -0.92 0.00 0.00 175.35 175.94 1a4w n GLY 136 N 1.92 3.69 2.99 -3.33 0.00 -0.19 -4.84 105.19 105.43 1a4w n GLY 136 Ca -0.18 -2.33 -0.16 0.00 0.00 0.00 0.00 46.02 43.35 1a4w n GLY 136 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 1a4w s ARG 137 N -3.44 0.50 0.04 1.61 3.52 0.15 -0.50 118.95 120.82 1a4w s ARG 137 Ca 0.01 -0.31 0.08 0.00 -0.13 0.00 0.00 55.73 55.37 1a4w s ARG 137 Cb 0.00 -0.45 -0.03 0.00 -1.56 0.00 0.00 34.95 32.92 1a4w s ARG 137 CO 0.01 0.12 -0.22 0.08 -0.81 0.00 0.00 175.30 174.47 1a4w s VAL 138 N -0.36 1.81 0.06 7.11 1.01 -0.22 -0.61 120.40 129.21 1a4w s VAL 138 Ca 0.00 -1.22 0.04 0.00 0.00 0.00 0.00 61.98 60.80 1a4w s VAL 138 Cb -0.04 -1.55 -0.03 0.00 0.00 0.00 0.00 36.38 34.76 1a4w s VAL 138 CO -0.00 0.28 -0.11 0.42 0.00 0.00 0.00 175.10 175.69 1a4w s THR 139 N -0.77 0.86 0.00 3.92 -4.23 -1.25 -2.02 115.64 112.16 1a4w s THR 139 Ca 0.09 -1.28 0.00 0.00 -1.18 0.00 0.00 61.69 59.32 1a4w s THR 139 Cb -0.09 -0.94 0.00 0.00 1.34 0.00 0.00 72.50 72.80 1a4w s THR 139 CO 0.02 -0.34 0.00 0.61 -0.54 0.00 0.00 174.62 174.36 1a4w n GLY 140 N 1.22 1.52 1.11 3.99 0.00 -0.67 -4.55 105.19 107.81 1a4w n GLY 140 Ca -0.21 -0.92 0.10 0.00 0.00 0.00 0.00 46.02 44.99 1a4w n GLY 140 CO 0.00 0.00 0.00 0.79 0.00 0.00 0.00 173.32 174.11 1a4w n TRP 141 N -0.56 0.73 -0.71 1.61 8.01 -1.26 -2.02 117.44 123.24 1a4w n TRP 141 Ca 0.00 -0.36 -0.30 0.00 -1.31 0.00 0.00 57.50 55.52 1a4w n TRP 141 Cb 0.00 0.00 0.27 0.00 -2.01 0.00 0.00 31.31 29.57 1a4w n TRP 141 CO 0.00 0.00 0.00 0.20 -1.01 0.00 0.00 177.69 176.88 1a4w s GLY 142 N -1.13 1.50 0.48 6.99 0.00 -1.26 -4.56 107.32 109.34 1a4w s GLY 142 Ca 0.41 -0.86 -0.23 0.00 0.00 0.00 0.00 44.72 44.04 1a4w s GLY 142 CO 0.29 0.09 1.09 0.70 0.00 0.00 0.00 173.10 175.27 1a4w n ASN 143 N -5.21 1.59 0.04 1.64 4.13 0.23 -2.97 115.26 114.70 1a4w n ASN 143 Ca 0.13 0.99 0.13 0.00 1.68 0.00 0.00 54.58 57.50 1a4w n ASN 143 Cb 0.60 -1.42 0.37 0.00 -1.54 0.00 0.00 39.78 37.78 1a4w n ASN 143 CO 0.00 0.00 0.00 0.18 0.28 0.00 0.00 177.26 177.72 1a4w n LEU 144 N -0.03 0.48 -3.58 3.41 4.77 -0.79 -1.40 117.00 119.86 1a4w n LEU 144 Ca 0.10 0.32 -0.11 0.00 -0.03 0.00 0.00 56.01 56.29 1a4w n LEU 144 Cb 0.42 -0.32 -0.04 0.00 -2.33 0.00 0.00 43.42 41.15 1a4w n LEU 144 CO 0.55 -0.02 0.23 -0.54 -1.33 0.00 0.00 177.39 176.28 1a4w s LYS 145 N -3.07 1.10 0.00 3.23 1.02 -1.26 -4.37 119.74 116.40 1a4w s LYS 145 Ca 0.11 -0.58 0.00 0.00 0.02 0.00 0.00 55.97 55.52 1a4w s LYS 145 Cb 0.16 0.49 0.00 0.00 -0.52 0.00 0.00 37.83 37.96 1a4w s LYS 145 CO 0.64 -0.44 0.70 -1.91 -0.92 0.00 0.00 175.35 173.42 1a4w n GLU 146 N -0.14 0.51 0.00 1.68 2.13 -1.26 -4.93 120.64 118.63 1a4w n GLU 146 Ca -0.17 0.00 0.00 0.00 0.66 0.00 0.00 57.16 57.65 1a4w n GLU 146 Cb 0.63 -1.24 0.00 0.00 0.27 0.00 0.00 31.44 31.10 1a4w n GLU 146 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 1a4w n GLY 150 N 1.11 0.72 2.68 8.31 0.00 -1.26 -4.99 105.19 111.76 1a4w n GLY 150 Ca 0.00 -0.17 -0.24 0.00 0.00 0.00 0.00 46.02 45.61 1a4w n GLY 150 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1a4w s GLN 151 N 0.20 0.23 0.92 1.61 -0.21 -1.26 -1.89 119.66 119.25 1a4w s GLN 151 Ca 0.00 0.04 -0.12 0.00 0.02 0.00 0.00 55.36 55.30 1a4w s GLN 151 Cb 0.00 -1.30 0.14 0.00 1.00 0.00 0.00 33.01 32.85 1a4w s GLN 151 CO 0.00 -0.49 1.09 -1.25 -2.12 0.00 0.00 175.29 172.52 1a4w s PRO 152 N 2.07 1.08 -0.04 2.91 0.04 -1.26 -4.97 135.00 134.82 1a4w s PRO 152 Ca 0.03 0.80 0.20 0.00 0.04 0.00 0.00 61.00 62.07 1a4w s PRO 152 Cb -0.14 -1.79 -0.24 0.00 0.04 0.00 0.00 34.50 32.37 1a4w s PRO 152 CO -0.06 -2.36 0.48 -1.13 0.04 0.00 0.00 177.00 173.97 1a4w n SER 153 N -3.96 0.27 -4.33 6.66 3.41 -1.26 -4.69 113.62 109.71 1a4w n SER 153 Ca 0.07 0.12 -0.17 0.00 -0.26 0.00 0.00 58.87 58.62 1a4w n SER 153 Cb 0.55 1.14 -0.10 0.00 -0.26 0.00 0.00 64.21 65.54 1a4w n SER 153 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 175.04 175.42 1a4w s VAL 154 N -3.05 1.31 0.21 -3.33 0.11 -1.26 -0.13 120.40 114.25 1a4w s VAL 154 Ca -0.07 -2.09 -0.32 0.00 -2.93 0.00 0.00 61.98 56.58 1a4w s VAL 154 Cb 0.10 -2.20 -0.15 0.00 -1.53 0.00 0.00 36.38 32.60 1a4w s VAL 154 CO 0.85 -0.46 1.19 -0.11 -3.33 0.00 0.00 175.10 173.24 1a4w n LEU 155 N -0.40 1.90 -4.82 2.54 7.94 0.25 -4.83 117.00 119.59 1a4w n LEU 155 Ca -0.07 1.15 -0.28 0.00 -1.11 0.00 0.00 56.01 55.70 1a4w n LEU 155 Cb 0.62 -1.27 -0.05 0.00 0.53 0.00 0.00 43.42 43.25 1a4w n LEU 155 CO 0.36 -1.14 -0.21 -1.10 -1.11 0.00 0.00 177.39 174.18 1a4w s GLN 156 N -0.57 3.03 0.03 1.96 -1.52 -0.85 0.12 119.66 121.85 1a4w s GLN 156 Ca 0.70 -0.72 0.02 0.00 -1.95 0.00 0.00 55.36 53.41 1a4w s GLN 156 Cb -0.78 -2.77 -0.02 0.00 -0.22 0.00 0.00 33.01 29.22 1a4w s GLN 156 CO 0.53 0.53 -0.06 0.54 -0.25 0.00 0.00 175.29 176.58 1a4w s VAL 157 N -1.59 0.42 -0.02 1.09 0.11 0.13 -1.68 120.40 118.87 1a4w s VAL 157 Ca 0.31 -0.97 -0.16 0.00 -2.93 0.00 0.00 61.98 58.24 1a4w s VAL 157 Cb -0.11 -0.50 0.03 0.00 -1.53 0.00 0.00 36.38 34.27 1a4w s VAL 157 CO 0.24 -0.37 0.34 0.54 -3.33 0.00 0.00 175.10 172.52 1a4w s VAL 158 N -1.29 0.05 -0.17 2.04 0.11 -0.86 -0.78 120.40 119.50 1a4w s VAL 158 Ca -0.10 -0.42 -0.04 0.00 -2.93 0.00 0.00 61.98 58.48 1a4w s VAL 158 Cb -0.09 -0.64 -0.03 0.00 -1.53 0.00 0.00 36.38 34.09 1a4w s VAL 158 CO 0.00 -0.23 -0.02 0.20 -3.33 0.00 0.00 175.10 171.72 1a4w s ASN 159 N -1.28 4.90 0.06 3.54 0.01 -1.26 -1.06 114.94 119.86 1a4w s ASN 159 Ca -0.13 -0.12 0.04 0.00 -0.71 0.00 0.00 52.86 51.94 1a4w s ASN 159 Cb -0.05 -1.81 -0.03 0.00 0.41 0.00 0.00 41.25 39.77 1a4w s ASN 159 CO 0.05 0.15 -0.12 -0.76 -1.51 0.00 0.00 177.10 174.90 1a4w s LEU 160 N 0.50 2.28 0.14 0.60 1.43 0.34 -4.95 118.68 119.02 1a4w s LEU 160 Ca -0.02 -0.60 -0.22 0.00 -1.03 0.00 0.00 54.13 52.26 1a4w s LEU 160 Cb -0.14 -0.39 -0.07 0.00 0.03 0.00 0.00 46.19 45.62 1a4w s LEU 160 CO 0.02 -0.13 0.68 -2.16 0.23 0.00 0.00 176.35 175.00 1a4w s PRO 161 N -1.74 4.36 0.43 1.29 0.04 -1.26 -1.02 135.00 137.10 1a4w s PRO 161 Ca -0.04 0.93 -0.24 0.00 0.04 0.00 0.00 61.00 61.69 1a4w s PRO 161 Cb -0.10 -3.19 -0.08 0.00 0.04 0.00 0.00 34.50 31.17 1a4w s PRO 161 CO 0.02 0.57 1.18 0.42 0.04 0.00 0.00 177.00 179.23 1a4w s ILE 162 N -1.19 3.06 -0.03 0.56 1.01 0.17 -1.54 121.20 123.25 1a4w s ILE 162 Ca 0.34 0.85 0.02 0.00 0.00 0.00 0.00 60.65 61.87 1a4w s ILE 162 Cb -0.21 -3.46 -0.03 0.00 0.01 0.00 0.00 42.46 38.77 1a4w s ILE 162 CO 0.22 0.04 -0.06 -0.69 0.00 0.00 0.00 174.94 174.46 1a4w s VAL 163 N -1.45 3.73 0.29 2.92 1.01 -1.02 0.30 120.40 126.18 1a4w s VAL 163 Ca 0.60 -0.63 -0.29 0.00 0.00 0.00 0.00 61.98 61.66 1a4w s VAL 163 Cb -0.31 -2.59 -0.13 0.00 0.00 0.00 0.00 36.38 33.35 1a4w s VAL 163 CO 0.38 0.48 1.23 -0.62 0.00 0.00 0.00 175.10 176.57 1a4w n GLU 164 N 1.81 1.81 -0.15 2.72 4.71 -1.26 -4.59 120.64 125.70 1a4w n GLU 164 Ca -0.16 0.64 -0.04 0.00 -0.01 0.00 0.00 57.16 57.59 1a4w n GLU 164 Cb 0.53 -2.17 0.03 0.00 -1.01 0.00 0.00 31.44 28.81 1a4w n GLU 164 CO 0.00 0.00 0.00 0.00 0.09 0.00 0.00 177.13 177.22 1a4w h ARG 165 N 2.87 -0.05 -0.83 3.49 3.08 -1.98 -0.68 114.38 120.28 1a4w h ARG 165 Ca -0.44 0.00 0.06 0.00 0.07 0.00 0.00 59.98 59.68 1a4w h ARG 165 Cb 1.30 0.01 -0.06 0.00 0.08 0.00 0.00 29.97 31.30 1a4w h ARG 165 CO 0.66 -0.03 0.51 -1.35 -1.07 0.00 0.00 179.97 178.68 1a4w h PRO 166 N -0.05 0.89 -0.60 0.04 0.11 -1.99 0.25 132.00 130.65 1a4w h PRO 166 Ca 0.23 -0.05 -0.08 0.00 0.11 0.00 0.00 66.00 66.21 1a4w h PRO 166 Cb 0.40 -0.20 -0.02 0.00 0.11 0.00 0.00 31.00 31.28 1a4w h PRO 166 CO -0.52 0.59 0.06 0.28 -0.21 0.00 0.00 178.00 178.20 1a4w h VAL 167 N 0.92 1.26 0.38 3.15 2.07 -1.57 -0.22 116.25 122.23 1a4w h VAL 167 Ca 0.37 -1.05 -0.01 0.00 0.82 0.00 0.00 66.70 66.83 1a4w h VAL 167 Cb 0.19 0.73 -0.01 0.00 -1.52 0.00 0.00 31.29 30.69 1a4w h VAL 167 CO -0.18 0.38 -0.25 0.00 0.02 0.00 0.00 177.57 177.54 1a4w h LYS 169 N -0.61 1.12 0.00 0.00 1.57 -0.21 -2.71 116.57 115.72 1a4w h LYS 169 Ca -0.04 -0.07 0.00 0.00 -1.87 0.00 0.00 60.65 58.68 1a4w h LYS 169 Cb 0.51 -0.25 0.00 0.00 0.08 0.00 0.00 32.23 32.57 1a4w h LYS 169 CO 0.02 0.74 0.00 -0.25 -0.57 0.00 0.00 179.45 179.39 1a4w n ASP 170 N -4.47 0.00 -0.18 0.86 8.00 -0.12 -3.13 116.55 117.51 1a4w n ASP 170 Ca 0.14 -1.32 0.11 0.00 0.71 0.00 0.00 54.79 54.43 1a4w n ASP 170 Cb 0.15 0.00 0.07 0.00 -0.02 0.00 0.00 41.12 41.32 1a4w n ASP 170 CO 0.00 0.00 0.00 -1.54 -0.39 0.00 0.00 177.20 175.27 1a4w n SER 171 N -0.82 1.19 -3.91 -2.24 3.41 -1.02 -5.00 113.62 105.23 1a4w n SER 171 Ca 0.15 -0.97 -0.12 0.00 -0.26 0.00 0.00 58.87 57.67 1a4w n SER 171 Cb 0.07 0.57 -0.07 0.00 -0.26 0.00 0.00 64.21 64.51 1a4w n SER 171 CO 0.00 0.00 0.00 0.28 -0.16 0.00 0.00 175.04 175.16 1a4w s THR 172 N -2.78 0.00 -0.96 6.66 -1.32 -1.18 -4.87 115.64 111.19 1a4w s THR 172 Ca 0.14 -1.70 0.21 0.00 -1.21 0.00 0.00 61.69 59.13 1a4w s THR 172 Cb 0.17 -2.41 -0.23 0.00 -1.51 0.00 0.00 72.50 68.52 1a4w s THR 172 CO 0.70 0.00 0.88 0.54 -2.21 0.00 0.00 174.62 174.53 1a4w n ARG 173 N -0.38 0.04 -2.37 7.08 1.74 -1.26 -4.96 116.66 116.55 1a4w n ARG 173 Ca 0.01 -0.01 -0.40 0.00 -0.77 0.00 0.00 57.85 56.68 1a4w n ARG 173 Cb 0.63 -1.50 -0.03 0.00 -1.02 0.00 0.00 32.46 30.54 1a4w n ARG 173 CO 0.00 0.00 0.00 0.42 -1.52 0.00 0.00 177.63 176.53 1a4w s ILE 174 N -3.01 3.29 -0.31 0.55 1.09 -1.26 -4.96 121.20 116.59 1a4w s ILE 174 Ca 0.07 1.21 -0.29 0.00 -1.10 0.00 0.00 60.65 60.55 1a4w s ILE 174 Cb 0.16 -3.74 -0.01 0.00 -1.06 0.00 0.00 42.46 37.81 1a4w s ILE 174 CO 0.87 0.23 1.50 -0.60 -0.10 0.00 0.00 174.94 176.84 1a4w s ARG 175 N -1.81 3.71 0.07 2.79 3.52 -1.26 -5.00 118.95 120.97 1a4w s ARG 175 Ca 0.49 1.33 -0.16 0.00 -0.13 0.00 0.00 55.73 57.26 1a4w s ARG 175 Cb -0.32 -4.01 -0.06 0.00 -1.56 0.00 0.00 34.95 28.99 1a4w s ARG 175 CO 0.41 -1.39 0.51 0.96 -0.81 0.00 0.00 175.30 174.98 1a4w s ILE 176 N 5.26 4.88 0.45 4.11 -4.36 -1.26 -4.87 121.20 125.41 1a4w s ILE 176 Ca 0.66 0.95 0.07 0.00 -0.26 0.00 0.00 60.65 62.07 1a4w s ILE 176 Cb -0.19 -3.78 -0.01 0.00 1.25 0.00 0.00 42.46 39.72 1a4w s ILE 176 CO 0.29 0.46 0.32 0.42 0.24 0.00 0.00 174.94 176.67 1a4w s THR 177 N -1.22 2.28 -0.31 8.37 -4.23 -1.26 -5.03 115.64 114.24 1a4w s THR 177 Ca 0.30 -1.49 0.27 0.00 -1.18 0.00 0.00 61.69 59.59 1a4w s THR 177 Cb -0.17 -2.77 0.30 0.00 1.34 0.00 0.00 72.50 71.19 1a4w s THR 177 CO 0.17 0.00 1.80 0.44 -0.54 0.00 0.00 174.62 176.49 1a4w h ASP 178 N 1.08 0.00 -0.12 3.99 3.32 -2.03 -2.96 116.42 119.70 1a4w h ASP 178 Ca -0.41 0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.64 1a4w h ASP 178 Cb 1.27 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.82 1a4w h ASP 178 CO 0.61 0.00 0.00 0.59 -1.72 0.00 0.00 179.24 178.72 1a4w n ASN 179 N -2.51 1.43 -4.13 6.45 3.02 -1.26 -4.89 115.26 113.38 1a4w n ASN 179 Ca 0.02 -2.11 -0.13 0.00 -0.03 0.00 0.00 54.58 52.34 1a4w n ASN 179 Cb 0.27 -0.37 -0.11 0.00 -0.61 0.00 0.00 39.78 38.96 1a4w n ASN 179 CO 0.00 0.00 0.00 -0.04 -2.62 0.00 0.00 177.26 174.60 1a4w s MET 180 N -1.51 0.71 0.03 3.52 -1.94 -1.12 -1.20 119.30 117.80 1a4w s MET 180 Ca 0.10 -1.05 -0.07 0.00 -1.71 0.00 0.00 55.69 52.96 1a4w s MET 180 Cb 0.06 -0.33 -0.00 0.00 2.01 0.00 0.00 34.83 36.57 1a4w s MET 180 CO 0.04 0.04 0.14 -0.59 -0.01 0.00 0.00 175.02 174.63 1a4w s PHE 181 N -2.37 0.13 0.30 -0.03 -0.12 -0.86 -4.84 117.98 110.18 1a4w s PHE 181 Ca 0.01 -0.37 0.10 0.00 -0.05 0.00 0.00 56.93 56.62 1a4w s PHE 181 Cb -0.03 -0.09 -0.05 0.00 -0.63 0.00 0.00 43.02 42.22 1a4w s PHE 181 CO -0.01 -0.37 -0.03 0.00 -0.05 0.00 0.00 175.22 174.75 1a4w s ALA 183 N -2.44 -1.20 0.00 0.00 0.00 -0.43 -2.45 121.76 115.24 1a4w s ALA 183 Ca 0.33 1.19 0.00 0.00 0.00 0.00 0.00 51.96 53.48 1a4w s ALA 183 Cb -0.03 -0.56 0.00 0.00 0.00 0.00 0.00 23.12 22.53 1a4w s ALA 183 CO 0.19 -0.25 0.00 0.41 0.00 0.00 0.00 175.76 176.10 1a4w n GLY 184 N 2.33 3.58 3.88 0.00 0.00 -0.59 -2.08 105.19 112.31 1a4w n GLY 184 Ca -0.15 -1.16 -0.30 0.00 0.00 0.00 0.00 46.02 44.41 1a4w n GLY 184 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1a4w s TYR 184 N -2.00 3.43 0.46 1.61 2.02 -1.26 -4.58 117.35 117.02 1a4w s TYR 184 Ca 0.00 1.09 -0.05 0.00 -0.37 0.00 0.00 57.07 57.74 1a4w s TYR 184 Cb 0.00 -2.90 -0.04 0.00 -0.40 0.00 0.00 41.96 38.62 1a4w s TYR 184 CO 0.00 -0.96 0.76 0.15 -1.57 0.00 0.00 175.55 173.93 1a4w s LYS 185 N -5.25 3.56 0.51 -0.62 1.02 -1.26 -4.82 119.74 112.88 1a4w s LYS 185 Ca 0.56 0.17 0.21 0.00 0.02 0.00 0.00 55.97 56.94 1a4w s LYS 185 Cb -0.11 -2.41 1.36 0.00 -0.52 0.00 0.00 37.83 36.15 1a4w s LYS 185 CO 0.52 -0.15 2.11 -1.35 -0.92 0.00 0.00 175.35 175.56 1a4w h PRO 186 N 0.41 0.00 0.00 -1.68 0.11 -1.96 -1.93 132.00 126.95 1a4w h PRO 186 Ca -0.47 0.00 -0.05 0.00 0.11 0.00 0.00 66.00 65.59 1a4w h PRO 186 Cb 1.20 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.31 1a4w h PRO 186 CO 0.62 0.08 -0.23 0.38 -0.21 0.00 0.00 178.00 178.64 1a4w h ASP 186 N 0.00 0.00 0.19 -2.05 2.03 -1.96 -3.36 116.42 111.27 1a4w h ASP 186 Ca -0.00 0.00 -0.02 0.00 -0.73 0.00 0.00 57.03 56.27 1a4w h ASP 186 Cb 0.17 0.00 -0.00 0.00 -0.83 0.00 0.00 39.33 38.67 1a4w h ASP 186 CO 0.01 0.23 -0.12 -0.33 -1.03 0.00 0.00 179.24 178.00 1a4w h GLU 186 N 0.00 0.00 -4.09 4.15 5.08 -1.74 -3.48 114.58 114.50 1a4w h GLU 186 Ca -0.00 0.00 -0.17 0.00 -1.00 0.00 0.00 59.36 58.18 1a4w h GLU 186 Cb 1.10 0.00 0.10 0.00 0.50 0.00 0.00 28.75 30.45 1a4w h GLU 186 CO 0.03 0.12 -0.44 0.41 -1.00 0.00 0.00 179.01 178.13 1a4w n GLY 186 N -1.02 -0.05 0.00 -3.84 0.00 -1.26 -4.99 105.19 94.03 1a4w n GLY 186 Ca -0.02 -0.08 0.00 0.00 0.00 0.00 0.00 46.02 45.91 1a4w n GLY 186 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1a4w n LYS 186 N -2.68 0.00 -2.91 1.61 5.02 -1.26 -5.17 118.16 112.77 1a4w n LYS 186 Ca -0.14 0.00 -0.10 0.00 -2.02 0.00 0.00 58.31 56.05 1a4w n LYS 186 Cb 0.59 0.00 -0.03 0.00 -0.02 0.00 0.00 35.03 35.57 1a4w n LYS 186 CO 0.00 0.00 0.00 0.54 -0.52 0.00 0.00 177.40 177.42 1a4w n ARG 187 N -0.00 1.13 0.00 1.97 1.74 -1.26 -4.67 116.66 115.57 1a4w n ARG 187 Ca 0.00 -1.28 0.00 0.00 -0.77 0.00 0.00 57.85 55.80 1a4w n ARG 187 Cb 0.00 0.54 0.00 0.00 -1.02 0.00 0.00 32.46 31.98 1a4w n ARG 187 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1a4w n GLY 188 N 1.90 4.10 3.60 -0.13 0.00 -1.25 -4.92 105.19 108.49 1a4w n GLY 188 Ca -0.04 -1.44 -0.03 0.00 0.00 0.00 0.00 46.02 44.50 1a4w n GLY 188 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1a4w s ASP 189 N 0.00 -0.14 0.82 1.61 2.15 -1.04 -4.71 116.67 115.36 1a4w s ASP 189 Ca 0.00 -0.07 -0.12 0.00 0.43 0.00 0.00 52.55 52.79 1a4w s ASP 189 Cb 0.00 0.20 0.08 0.00 -0.30 0.00 0.00 42.92 42.90 1a4w s ASP 189 CO 0.00 -0.35 1.11 0.00 -0.17 0.00 0.00 175.17 175.77 1a4w s ALA 190 N -2.56 2.22 0.23 3.66 0.00 -1.26 -0.59 121.76 123.46 1a4w s ALA 190 Ca 0.11 -0.32 -0.02 0.00 0.00 0.00 0.00 51.96 51.72 1a4w s ALA 190 Cb 0.01 -3.07 0.01 0.00 0.00 0.00 0.00 23.12 20.07 1a4w s ALA 190 CO -0.04 -1.81 0.35 0.00 0.00 0.00 0.00 175.76 174.26 1a4w n GLU 192 N -0.37 2.14 0.00 0.00 0.00 -1.26 -1.04 120.64 120.10 1a4w n GLU 192 Ca -0.00 0.76 0.00 0.00 0.00 0.00 0.00 57.16 57.91 1a4w n GLU 192 Cb 0.39 -2.51 0.00 0.00 0.00 0.00 0.00 31.44 29.32 1a4w n GLU 192 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.13 177.54 1a4w n GLY 193 N 0.68 3.34 0.14 -1.84 0.00 -1.26 -0.60 105.19 105.65 1a4w n GLY 193 Ca 0.05 0.00 0.12 0.00 0.00 0.00 0.00 46.02 46.19 1a4w n GLY 193 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 1a4w h ASP 194 N 0.00 0.00 -1.26 1.61 3.32 -1.43 -3.27 116.42 115.38 1a4w h ASP 194 Ca 0.00 -0.04 -0.66 0.00 0.02 0.00 0.00 57.03 56.35 1a4w h ASP 194 Cb 0.00 0.00 0.11 0.00 0.22 0.00 0.00 39.33 39.66 1a4w h ASP 194 CO 0.00 0.02 -0.39 -1.20 -1.72 0.00 0.00 179.24 175.95 1a4w n SER 195 N -2.66 -0.76 0.00 6.45 7.64 -1.26 -1.63 113.62 121.40 1a4w n SER 195 Ca 0.03 1.14 0.00 0.00 1.01 0.00 0.00 58.87 61.05 1a4w n SER 195 Cb 0.51 -1.01 0.00 0.00 -1.01 0.00 0.00 64.21 62.70 1a4w n SER 195 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1a4w n GLY 196 N 1.86 2.73 3.74 0.23 0.00 -0.61 -0.36 105.19 112.78 1a4w n GLY 196 Ca 0.17 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.89 1a4w n GLY 196 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1a4w s GLY 197 N -2.00 1.62 0.10 -0.02 0.00 -0.65 -3.39 107.32 102.99 1a4w s GLY 197 Ca 0.00 -0.80 -0.18 0.00 0.00 0.00 0.00 44.72 43.74 1a4w s GLY 197 CO 0.00 -0.08 0.57 2.56 0.00 0.00 0.00 173.10 176.15 1a4w s PRO 198 N -5.42 4.15 -0.34 2.90 0.04 -1.26 -0.26 135.00 134.80 1a4w s PRO 198 Ca 0.69 0.68 -0.09 0.00 0.04 0.00 0.00 61.00 62.32 1a4w s PRO 198 Cb -0.11 -3.14 0.02 0.00 0.04 0.00 0.00 34.50 31.31 1a4w s PRO 198 CO 0.55 0.58 0.15 0.12 0.04 0.00 0.00 177.00 178.44 1a4w s PHE 199 N -1.23 3.22 0.28 0.56 2.19 0.26 -3.74 117.98 119.53 1a4w s PHE 199 Ca 0.32 -1.04 0.10 0.00 0.33 0.00 0.00 56.93 56.64 1a4w s PHE 199 Cb -0.18 -2.35 -0.05 0.00 -1.31 0.00 0.00 43.02 39.13 1a4w s PHE 199 CO 0.19 -0.63 -0.08 0.14 1.83 0.00 0.00 175.22 176.67 1a4w s VAL 200 N 1.51 3.01 0.03 3.12 -7.23 0.22 -0.73 120.40 120.33 1a4w s VAL 200 Ca 0.01 -2.10 0.01 0.00 -1.81 0.00 0.00 61.98 58.09 1a4w s VAL 200 Cb -0.19 -2.64 -0.02 0.00 0.56 0.00 0.00 36.38 34.09 1a4w s VAL 200 CO 0.05 -0.37 -0.05 -0.04 -0.31 0.00 0.00 175.10 174.38 1a4w s MET 201 N -3.62 0.41 -0.24 4.82 -1.94 -0.66 0.31 119.30 118.38 1a4w s MET 201 Ca 0.31 -0.68 -0.07 0.00 -1.71 0.00 0.00 55.69 53.55 1a4w s MET 201 Cb -0.05 -0.09 -0.02 0.00 2.01 0.00 0.00 34.83 36.68 1a4w s MET 201 CO 0.18 -0.00 0.05 0.21 -0.01 0.00 0.00 175.02 175.45 1a4w s LYS 202 N -1.51 3.60 0.06 2.03 2.20 -1.26 -0.65 119.74 124.21 1a4w s LYS 202 Ca -0.13 -0.51 -0.31 0.00 -0.36 0.00 0.00 55.97 54.67 1a4w s LYS 202 Cb -0.10 -3.26 -0.07 0.00 -1.51 0.00 0.00 37.83 32.89 1a4w s LYS 202 CO -0.00 -0.19 1.54 0.45 -0.36 0.00 0.00 175.35 176.79 1a4w s SER 203 N 1.58 6.71 0.08 1.43 0.15 0.27 -4.90 113.70 119.01 1a4w s SER 203 Ca 0.06 2.35 0.22 0.00 0.70 0.00 0.00 55.95 59.29 1a4w s SER 203 Cb -0.15 -2.57 0.91 0.00 -1.71 0.00 0.00 66.02 62.50 1a4w s SER 203 CO 0.02 -0.80 1.70 -0.81 1.20 0.00 0.00 173.24 174.55 1a4w n PRO 204 N 5.25 0.07 0.00 5.44 -0.04 -1.26 -0.52 135.00 143.94 1a4w n PRO 204 Ca 0.14 0.20 -0.21 0.00 -0.04 0.00 0.00 63.50 63.59 1a4w n PRO 204 Cb 0.42 -1.61 -0.14 0.00 -0.04 0.00 0.00 33.50 32.13 1a4w n PRO 204 CO 0.00 0.00 0.00 1.19 -0.04 0.00 0.00 175.50 176.65 1a4w n PHE 204 N -1.74 1.27 -0.41 0.54 3.72 -1.26 -4.57 117.46 115.01 1a4w n PHE 204 Ca 0.05 0.28 0.00 0.00 -0.05 0.00 0.00 57.45 57.73 1a4w n PHE 204 Cb 0.27 -1.16 0.00 0.00 -0.94 0.00 0.00 39.48 37.65 1a4w n PHE 204 CO 0.00 0.00 0.00 0.27 -0.05 0.00 0.00 176.76 176.98 1a4w n ASN 204 N -3.54 0.90 -1.97 4.37 2.04 -1.23 -5.03 115.26 110.80 1a4w n ASN 204 Ca -0.32 -1.30 -0.18 0.00 -0.44 0.00 0.00 54.58 52.34 1a4w n ASN 204 Cb 1.03 0.00 -0.04 0.00 -2.53 0.00 0.00 39.78 38.24 1a4w n ASN 204 CO 0.00 0.00 0.00 0.59 -0.44 0.00 0.00 177.26 177.41 1a4w n ASN 205 N -0.15 -5.00 -4.90 0.53 3.02 0.32 -4.98 115.26 104.09 1a4w n ASN 205 Ca 0.00 0.25 -0.32 0.00 -0.03 0.00 0.00 54.58 54.48 1a4w n ASN 205 Cb 0.23 -4.33 -0.05 0.00 -0.61 0.00 0.00 39.78 35.03 1a4w n ASN 205 CO 0.00 0.00 0.00 -0.13 -2.62 0.00 0.00 177.26 174.51 1a4w s ARG 206 N -4.29 3.53 -0.10 3.52 0.52 -1.25 -4.79 118.95 116.08 1a4w s ARG 206 Ca 0.00 -0.23 -0.19 0.00 -0.52 0.00 0.00 55.73 54.79 1a4w s ARG 206 Cb 0.00 -2.99 -0.04 0.00 0.52 0.00 0.00 34.95 32.44 1a4w s ARG 206 CO 0.00 0.57 0.52 -1.58 0.02 0.00 0.00 175.30 174.83 1a4w s TRP 207 N -1.50 3.53 0.02 -0.53 0.52 -1.26 -0.57 118.94 119.15 1a4w s TRP 207 Ca 0.35 0.96 0.08 0.00 0.02 0.00 0.00 56.10 57.51 1a4w s TRP 207 Cb -0.13 -2.59 -0.03 0.00 -1.15 0.00 0.00 33.47 29.57 1a4w s TRP 207 CO 0.24 0.17 -0.22 0.71 0.02 0.00 0.00 176.95 177.86 1a4w s TYR 208 N 0.61 2.45 -0.58 -1.98 2.02 0.17 -1.98 117.35 118.06 1a4w s TYR 208 Ca 0.28 -0.33 -0.22 0.00 -0.37 0.00 0.00 57.07 56.42 1a4w s TYR 208 Cb -0.16 -1.47 0.06 0.00 -0.40 0.00 0.00 41.96 39.99 1a4w s TYR 208 CO 0.12 0.14 0.88 -1.14 -1.57 0.00 0.00 175.55 173.98 1a4w s GLN 209 N -1.10 3.20 0.03 -0.62 0.74 -0.28 -1.66 119.66 119.98 1a4w s GLN 209 Ca 0.12 -0.63 0.07 0.00 0.05 0.00 0.00 55.36 54.97 1a4w s GLN 209 Cb -0.10 -4.14 -0.23 0.00 1.10 0.00 0.00 33.01 29.64 1a4w s GLN 209 CO 0.02 -1.56 0.95 0.52 -0.55 0.00 0.00 175.29 174.67 1a4w h MET 210 N 9.34 0.05 -4.52 1.67 2.86 -1.27 -3.38 114.93 119.68 1a4w h MET 210 Ca -0.28 -0.08 -0.21 0.00 -2.06 0.00 0.00 59.70 57.07 1a4w h MET 210 Cb 1.08 0.03 -0.15 0.00 0.06 0.00 0.00 31.60 32.62 1a4w h MET 210 CO 1.10 0.82 -0.64 0.20 1.06 0.00 0.00 176.91 179.45 1a4w s GLY 211 N -4.92 1.13 -0.12 8.32 0.00 -0.78 -2.19 107.32 108.75 1a4w s GLY 211 Ca -0.03 -1.54 0.02 0.00 0.00 0.00 0.00 44.72 43.16 1a4w s GLY 211 CO 0.83 -1.40 -0.17 -0.42 0.00 0.00 0.00 173.10 171.93 1a4w s ILE 212 N -4.00 1.66 -0.25 0.90 1.01 -1.04 -0.57 121.20 118.91 1a4w s ILE 212 Ca 0.27 -0.74 -0.36 0.00 0.00 0.00 0.00 60.65 59.82 1a4w s ILE 212 Cb 0.07 -1.50 -0.12 0.00 0.01 0.00 0.00 42.46 40.92 1a4w s ILE 212 CO 0.04 0.47 1.97 0.52 0.00 0.00 0.00 174.94 177.95 1a4w n VAL 213 N 4.13 0.35 0.00 2.92 0.31 0.64 -0.74 118.33 125.94 1a4w n VAL 213 Ca -0.19 -0.16 0.00 0.00 -0.01 0.00 0.00 64.34 63.98 1a4w n VAL 213 Cb 0.51 -1.64 0.00 0.00 -0.91 0.00 0.00 33.84 31.81 1a4w n VAL 213 CO 0.00 0.00 0.00 -0.24 -1.32 0.00 0.00 176.83 175.27 1a4w n SER 214 N 7.70 0.00 -4.38 4.52 2.88 0.02 -1.57 113.62 122.79 1a4w n SER 214 Ca 0.31 0.00 -0.19 0.00 -1.33 0.00 0.00 58.87 57.66 1a4w n SER 214 Cb 0.23 0.00 -0.10 0.00 -0.75 0.00 0.00 64.21 63.59 1a4w n SER 214 CO 0.00 0.00 0.00 -1.66 -1.23 0.00 0.00 175.04 172.15 1a4w s TRP 215 N 0.83 1.79 0.06 0.66 1.48 -1.04 -4.84 118.94 117.88 1a4w s TRP 215 Ca 0.00 -0.67 -0.27 0.00 -1.06 0.00 0.00 56.10 54.11 1a4w s TRP 215 Cb 0.00 -0.94 0.09 0.00 -1.16 0.00 0.00 33.47 31.46 1a4w s TRP 215 CO 0.00 0.28 0.78 0.20 -4.06 0.00 0.00 176.95 174.15 1a4w s GLY 216 N -3.37 -0.52 -0.76 3.67 0.00 -1.26 -0.48 107.32 104.61 1a4w s GLY 216 Ca 0.26 0.81 -0.17 0.00 0.00 0.00 0.00 44.72 45.63 1a4w s GLY 216 CO 0.09 0.27 0.80 -0.54 0.00 0.00 0.00 173.10 173.72 1a4w s GLU 217 N -3.35 3.39 3.16 2.90 2.02 -1.26 -4.89 118.70 120.66 1a4w s GLU 217 Ca 0.04 -1.94 0.00 0.00 0.02 0.00 0.00 54.97 53.09 1a4w s GLU 217 Cb -0.01 -4.48 0.00 0.00 0.10 0.00 0.00 34.13 29.74 1a4w s GLU 217 CO -0.10 -1.47 0.00 0.41 0.02 0.00 0.00 175.26 174.12 1a4w n GLY 219 N 4.78 -0.23 2.79 -1.39 0.00 -1.26 -4.68 105.19 105.20 1a4w n GLY 219 Ca 0.07 -1.06 -0.17 0.00 0.00 0.00 0.00 46.02 44.87 1a4w n GLY 219 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1a4w n ASP 221 N 4.83 -5.88 -4.76 0.00 2.03 -1.26 -4.52 116.55 106.99 1a4w n ASP 221 Ca -0.14 -0.17 -0.40 0.00 0.52 0.00 0.00 54.79 54.61 1a4w n ASP 221 Cb 0.50 -4.78 -0.05 0.00 -0.72 0.00 0.00 41.12 36.07 1a4w n ASP 221 CO 0.00 0.00 0.00 -0.13 -1.92 0.00 0.00 177.20 175.15 1a4w s ARG 221 N -5.38 4.69 0.46 -0.67 1.81 -1.26 -4.94 118.95 113.66 1a4w s ARG 221 Ca 0.17 1.63 -0.24 0.00 -1.72 0.00 0.00 55.73 55.56 1a4w s ARG 221 Cb -0.07 -3.15 -0.07 0.00 -0.45 0.00 0.00 34.95 31.20 1a4w s ARG 221 CO 0.21 0.32 1.34 -0.51 -0.68 0.00 0.00 175.30 175.97 1a4w s ASP 222 N -1.10 5.87 0.00 0.23 1.01 -1.26 -2.47 116.67 118.96 1a4w s ASP 222 Ca 0.44 2.72 0.00 0.00 0.71 0.00 0.00 52.55 56.42 1a4w s ASP 222 Cb -0.28 -2.64 0.00 0.00 1.01 0.00 0.00 42.92 41.01 1a4w s ASP 222 CO 0.35 -1.16 0.00 0.61 0.21 0.00 0.00 175.17 175.19 1a4w n GLY 223 N 0.63 0.26 3.71 0.21 0.00 -1.26 -5.00 105.19 103.73 1a4w n GLY 223 Ca 0.06 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.85 1a4w n GLY 223 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1a4w s LYS 224 N -0.92 2.38 0.03 1.61 -0.14 -1.03 -4.77 119.74 116.90 1a4w s LYS 224 Ca 0.00 -1.48 0.01 0.00 -1.36 0.00 0.00 55.97 53.14 1a4w s LYS 224 Cb 0.00 -2.19 -0.02 0.00 -1.68 0.00 0.00 37.83 33.94 1a4w s LYS 224 CO 0.00 0.21 -0.04 0.71 -0.76 0.00 0.00 175.35 175.46 1a4w s TYR 225 N -2.38 0.38 0.27 3.18 2.02 -1.26 -4.72 117.35 114.84 1a4w s TYR 225 Ca 0.35 -0.51 -0.29 0.00 -0.37 0.00 0.00 57.07 56.25 1a4w s TYR 225 Cb -0.04 -0.25 -0.09 0.00 -0.40 0.00 0.00 41.96 41.18 1a4w s TYR 225 CO 0.22 -0.15 0.99 0.20 -1.57 0.00 0.00 175.55 175.24 1a4w s GLY 226 N -1.46 3.05 -0.03 0.71 0.00 -0.88 -4.58 107.32 104.12 1a4w s GLY 226 Ca -0.14 0.70 -0.02 0.00 0.00 0.00 0.00 44.72 45.26 1a4w s GLY 226 CO -0.01 1.26 0.09 -1.36 0.00 0.00 0.00 173.10 173.08 1a4w s PHE 227 N -1.25 3.33 0.00 1.90 0.40 0.37 -1.31 117.98 121.42 1a4w s PHE 227 Ca 0.44 0.25 0.02 0.00 -0.60 0.00 0.00 56.93 57.04 1a4w s PHE 227 Cb -0.27 -1.77 -0.01 0.00 0.51 0.00 0.00 43.02 41.48 1a4w s PHE 227 CO 0.34 0.57 -0.06 0.71 0.70 0.00 0.00 175.22 177.47 1a4w s TYR 228 N -1.14 0.56 0.33 0.36 1.51 -0.49 -0.80 117.35 117.68 1a4w s TYR 228 Ca 0.21 -0.17 -0.29 0.00 -1.01 0.00 0.00 57.07 55.81 1a4w s TYR 228 Cb -0.12 -0.35 -0.11 0.00 -0.11 0.00 0.00 41.96 41.27 1a4w s TYR 228 CO 0.12 -0.02 1.41 0.99 -1.11 0.00 0.00 175.55 176.94 1a4w s THR 229 N -0.36 2.44 -0.55 -0.71 2.01 0.08 -2.03 115.64 116.52 1a4w s THR 229 Ca 0.00 0.43 -0.20 0.00 0.31 0.00 0.00 61.69 62.23 1a4w s THR 229 Cb -0.04 -3.27 0.07 0.00 0.01 0.00 0.00 72.50 69.27 1a4w s THR 229 CO -0.00 0.09 0.72 -2.28 -0.69 0.00 0.00 174.62 172.46 1a4w s HIS 230 N -0.85 2.97 0.08 4.92 2.46 -0.34 -2.51 115.29 122.02 1a4w s HIS 230 Ca 0.53 -0.57 -0.19 0.00 0.47 0.00 0.00 55.06 55.29 1a4w s HIS 230 Cb -0.43 -3.80 -0.09 0.00 -0.13 0.00 0.00 32.58 28.13 1a4w s HIS 230 CO 0.54 -1.20 1.53 0.28 -2.47 0.00 0.00 174.74 173.42 1a4w h VAL 231 N 5.91 1.24 -0.52 0.89 2.07 -1.76 -2.99 116.25 121.09 1a4w h VAL 231 Ca -0.28 -0.82 0.07 0.00 0.82 0.00 0.00 66.70 66.49 1a4w h VAL 231 Cb 1.09 1.36 -0.06 0.00 -1.52 0.00 0.00 31.29 32.16 1a4w h VAL 231 CO 1.03 0.25 0.18 0.15 0.02 0.00 0.00 177.57 179.21 1a4w h PHE 232 N 0.15 0.32 -0.19 1.57 3.57 -1.88 -2.03 116.94 118.46 1a4w h PHE 232 Ca 0.06 0.03 0.05 0.00 3.53 0.00 0.00 57.97 61.64 1a4w h PHE 232 Cb 0.36 -0.06 -0.01 0.00 2.79 0.00 0.00 35.95 39.03 1a4w h PHE 232 CO 0.03 0.09 0.14 0.00 -2.23 0.00 0.00 178.31 176.34 1a4w h ARG 233 N 0.36 0.00 -0.64 1.11 3.08 -1.91 -1.95 114.38 114.43 1a4w h ARG 233 Ca 0.25 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.30 1a4w h ARG 233 Cb 0.28 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.33 1a4w h ARG 233 CO -0.26 0.00 0.00 1.28 -1.07 0.00 0.00 179.97 179.92 1a4w n LEU 234 N -4.36 3.80 -0.09 3.04 4.77 -0.82 -4.61 117.00 118.72 1a4w n LEU 234 Ca 0.01 -1.88 0.09 0.00 -0.03 0.00 0.00 56.01 54.21 1a4w n LEU 234 Cb 0.28 -0.42 0.45 0.00 -2.33 0.00 0.00 43.42 41.40 1a4w n LEU 234 CO 0.34 0.92 1.19 0.50 -1.33 0.00 0.00 177.39 179.01 1a4w h LYS 235 N 4.23 0.50 -0.37 3.23 1.63 -0.72 -2.37 116.57 122.72 1a4w h LYS 235 Ca 0.00 -0.03 -0.14 0.00 -0.85 0.00 0.00 60.65 59.63 1a4w h LYS 235 Cb 0.98 -0.11 -0.01 0.00 -0.60 0.00 0.00 32.23 32.49 1a4w h LYS 235 CO 0.00 0.33 -0.30 0.87 -3.45 0.00 0.00 179.45 176.90 1a4w h LYS 236 N 0.52 0.85 -0.36 1.90 6.56 -1.82 -1.80 116.57 122.42 1a4w h LYS 236 Ca 0.26 -0.43 0.02 0.00 -1.06 0.00 0.00 60.65 59.45 1a4w h LYS 236 Cb 0.36 0.00 -0.03 0.00 -0.57 0.00 0.00 32.23 31.99 1a4w h LYS 236 CO -0.08 1.07 0.18 2.35 -2.06 0.00 0.00 179.45 180.92 1a4w h TRP 237 N 0.65 0.34 0.07 -1.35 7.01 -1.78 -1.43 115.95 119.47 1a4w h TRP 237 Ca 0.07 0.01 0.01 0.00 2.11 0.00 0.00 58.89 61.09 1a4w h TRP 237 Cb 0.88 -0.10 -0.04 0.00 -2.10 0.00 0.00 29.16 27.80 1a4w h TRP 237 CO 0.06 0.18 -0.47 0.82 -2.79 0.00 0.00 178.44 176.25 1a4w h ILE 238 N 0.37 0.00 -0.44 2.65 2.04 -1.25 -1.30 117.51 119.58 1a4w h ILE 238 Ca 0.15 0.00 0.08 0.00 1.00 0.00 0.00 64.86 66.09 1a4w h ILE 238 Cb 0.05 0.00 -0.09 0.00 -0.74 0.00 0.00 36.82 36.04 1a4w h ILE 238 CO -0.10 0.00 -0.39 1.56 0.00 0.00 0.00 178.15 179.22 1a4w h GLN 239 N -0.64 -0.27 -0.78 2.37 4.20 -1.28 -0.39 115.11 118.32 1a4w h GLN 239 Ca -0.00 0.02 0.19 0.00 0.06 0.00 0.00 58.65 58.91 1a4w h GLN 239 Cb 0.66 0.06 -0.13 0.00 0.30 0.00 0.00 27.48 28.37 1a4w h GLN 239 CO -0.27 -0.18 0.11 -0.22 -0.67 0.00 0.00 178.83 177.60 1a4w h LYS 240 N -0.28 0.17 -0.05 1.46 1.63 -1.16 0.59 116.57 118.93 1a4w h LYS 240 Ca 0.16 -0.01 -0.21 0.00 -0.85 0.00 0.00 60.65 59.74 1a4w h LYS 240 Cb 0.57 -0.04 0.00 0.00 -0.60 0.00 0.00 32.23 32.16 1a4w h LYS 240 CO -0.59 0.11 -0.86 -0.39 -3.45 0.00 0.00 179.45 174.28 1a4w h VAL 241 N 0.17 1.37 -0.10 2.00 -1.51 -0.01 0.15 116.25 118.31 1a4w h VAL 241 Ca 0.45 -2.26 -0.23 0.00 -1.23 0.00 0.00 66.70 63.42 1a4w h VAL 241 Cb 0.82 2.25 0.01 0.00 -2.13 0.00 0.00 31.29 32.25 1a4w h VAL 241 CO -0.62 0.68 -0.85 0.40 -1.23 0.00 0.00 177.57 175.94 1a4w h ILE 242 N 0.30 1.28 0.02 7.19 2.04 -0.52 -3.17 117.51 124.65 1a4w h ILE 242 Ca -0.06 -2.07 -0.00 0.00 1.00 0.00 0.00 64.86 63.73 1a4w h ILE 242 Cb 1.47 2.10 0.00 0.00 -0.74 0.00 0.00 36.82 39.66 1a4w h ILE 242 CO 0.15 0.65 -0.01 0.44 0.00 0.00 0.00 178.15 179.38 1a4w h ASP 243 N 0.48 -0.03 -0.03 1.72 3.32 0.13 -3.51 116.42 118.51 1a4w h ASP 243 Ca -0.07 -0.11 0.00 0.00 0.02 0.00 0.00 57.03 56.87 1a4w h ASP 243 Cb 1.49 0.01 0.00 0.00 0.22 0.00 0.00 39.33 41.05 1a4w h ASP 243 CO 0.17 0.09 0.00 0.00 -1.72 0.00 0.00 179.24 177.79