#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3d23 s SER 0 N 0.00 0.62 0.00 0.00 1.04 -1.26 -5.12 113.70 108.98 3d23 s SER 0 Ca 0.00 -0.28 0.26 0.00 0.48 0.00 0.00 55.95 56.41 3d23 s SER 0 Cb 0.00 -0.01 0.90 0.00 0.10 0.00 0.00 66.02 67.01 3d23 s SER 0 CO 0.00 -0.07 1.66 -1.54 0.98 0.00 0.00 173.24 174.27 3d23 n SER 1 N 2.31 1.70 0.00 7.02 3.41 -1.26 -4.91 113.62 121.89 3d23 n SER 1 Ca -0.17 -1.60 0.00 0.00 -0.26 0.00 0.00 58.87 56.84 3d23 n SER 1 Cb 0.57 -0.03 0.00 0.00 -0.26 0.00 0.00 64.21 64.49 3d23 n SER 1 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3d23 n GLY 2 N 1.19 0.44 3.04 5.00 0.00 -1.26 -4.97 105.19 108.63 3d23 n GLY 2 Ca 0.18 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.93 3d23 n GLY 2 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3d23 s ILE 3 N -2.13 1.38 0.37 -0.61 1.01 -1.26 -4.77 121.20 115.19 3d23 s ILE 3 Ca 0.00 -0.58 0.04 0.00 0.00 0.00 0.00 60.65 60.11 3d23 s ILE 3 Cb 0.00 -1.26 -0.03 0.00 0.01 0.00 0.00 42.46 41.17 3d23 s ILE 3 CO 0.00 0.42 0.13 0.68 0.00 0.00 0.00 174.94 176.17 3d23 s VAL 4 N 0.92 0.59 -0.84 2.92 -7.23 -1.26 -5.07 120.40 110.43 3d23 s VAL 4 Ca -0.09 -2.00 -0.25 0.00 -1.81 0.00 0.00 61.98 57.83 3d23 s VAL 4 Cb -0.15 -2.44 0.04 0.00 0.56 0.00 0.00 36.38 34.39 3d23 s VAL 4 CO -0.00 0.00 1.31 -0.54 -0.31 0.00 0.00 175.10 175.56 3d23 s LYS 5 N -3.74 3.34 -0.09 4.82 -0.14 -1.26 -4.99 119.74 117.67 3d23 s LYS 5 Ca 0.28 -0.63 -0.14 0.00 -1.36 0.00 0.00 55.97 54.13 3d23 s LYS 5 Cb 0.04 -4.61 -0.05 0.00 -1.68 0.00 0.00 37.83 31.53 3d23 s LYS 5 CO 0.16 -2.14 0.34 1.41 -0.76 0.00 0.00 175.35 174.36 3d23 s MET 6 N 5.27 4.05 0.07 1.68 1.75 -1.26 -4.80 119.30 126.05 3d23 s MET 6 Ca 0.38 0.23 0.02 0.00 -1.25 0.00 0.00 55.69 55.07 3d23 s MET 6 Cb -0.06 -3.33 -0.04 0.00 2.84 0.00 0.00 34.83 34.25 3d23 s MET 6 CO 0.05 0.45 0.12 0.14 -0.65 0.00 0.00 175.02 175.13 3d23 s VAL 7 N -0.24 4.80 0.37 10.11 -7.23 -1.26 -4.81 120.40 122.14 3d23 s VAL 7 Ca 0.20 -0.62 -0.27 0.00 -1.81 0.00 0.00 61.98 59.49 3d23 s VAL 7 Cb -0.14 -3.31 -0.09 0.00 0.56 0.00 0.00 36.38 33.39 3d23 s VAL 7 CO 0.08 0.15 1.20 -0.44 -0.31 0.00 0.00 175.10 175.78 3d23 s SER 8 N -2.36 6.65 0.66 4.85 0.01 -1.26 -4.98 113.70 117.27 3d23 s SER 8 Ca 0.30 2.44 -0.17 0.00 1.31 0.00 0.00 55.95 59.83 3d23 s SER 8 Cb -0.12 -2.63 -0.05 0.00 0.21 0.00 0.00 66.02 63.43 3d23 s SER 8 CO 0.23 -0.60 0.63 -2.65 0.41 0.00 0.00 173.24 171.26 3d23 n PRO 9 N 0.37 0.46 0.00 12.44 -0.02 -1.26 -4.93 135.00 142.06 3d23 n PRO 9 Ca 0.03 0.19 0.11 0.00 -2.02 0.00 0.00 63.50 61.81 3d23 n PRO 9 Cb 0.45 -1.88 -0.01 0.00 -0.02 0.00 0.00 33.50 32.04 3d23 n PRO 9 CO 0.00 0.00 0.00 0.25 1.98 0.00 0.00 175.50 177.73 3d23 n THR 10 N -2.11 0.00 0.26 3.45 -2.24 -1.26 -4.73 114.28 107.65 3d23 n THR 10 Ca 0.11 -0.25 0.11 0.00 -2.27 0.00 0.00 64.05 61.75 3d23 n THR 10 Cb 0.49 1.25 0.72 0.00 -2.10 0.00 0.00 70.33 70.69 3d23 n THR 10 CO 0.00 0.00 0.00 0.77 -0.57 0.00 0.00 175.07 175.27 3d23 h SER 11 N 2.33 0.00 1.35 3.42 4.64 -2.02 -1.68 113.55 121.58 3d23 h SER 11 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 3d23 h SER 11 Cb 0.74 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.83 3d23 h SER 11 CO 0.00 0.09 0.00 0.29 -0.87 0.00 0.00 176.83 176.34 3d23 n LYS 12 N -3.96 0.24 -0.10 4.77 5.02 -1.26 -4.11 118.16 118.77 3d23 n LYS 12 Ca -0.02 0.23 -0.14 0.00 -2.02 0.00 0.00 58.31 56.35 3d23 n LYS 12 Cb 0.18 -1.80 -0.09 0.00 -0.02 0.00 0.00 35.03 33.30 3d23 n LYS 12 CO 0.00 0.00 0.00 -0.89 -0.52 0.00 0.00 177.40 175.99 3d23 n ILE 13 N -2.21 1.11 -0.23 -0.18 2.08 -0.67 -4.57 119.36 114.69 3d23 n ILE 13 Ca 0.05 -0.41 0.03 0.00 0.56 0.00 0.00 62.75 62.97 3d23 n ILE 13 Cb 0.40 -1.23 0.12 0.00 -0.75 0.00 0.00 39.64 38.17 3d23 n ILE 13 CO 0.00 0.00 0.00 -0.33 0.56 0.00 0.00 176.55 176.78 3d23 h GLU 14 N -0.06 0.08 0.00 0.38 5.08 -1.62 0.35 114.58 118.79 3d23 h GLU 14 Ca -0.44 -0.00 0.00 0.00 -1.00 0.00 0.00 59.36 57.92 3d23 h GLU 14 Cb 1.65 -0.02 0.00 0.00 0.50 0.00 0.00 28.75 30.89 3d23 h GLU 14 CO -0.09 0.05 0.00 -0.35 -1.00 0.00 0.00 179.01 177.63 3d23 n PRO 15 N -5.35 0.70 0.00 2.33 -0.04 -1.26 -1.60 135.00 129.78 3d23 n PRO 15 Ca 0.11 0.00 0.12 0.00 -0.04 0.00 0.00 63.50 63.69 3d23 n PRO 15 Cb 0.40 -1.39 0.21 0.00 -0.04 0.00 0.00 33.50 32.69 3d23 n PRO 15 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 3d23 s ILE 17 N -2.52 5.08 0.24 0.00 -1.09 -0.63 0.59 121.20 122.87 3d23 s ILE 17 Ca 0.21 1.28 0.07 0.00 -2.23 0.00 0.00 60.65 59.98 3d23 s ILE 17 Cb 0.19 -3.97 -0.05 0.00 -1.58 0.00 0.00 42.46 37.05 3d23 s ILE 17 CO 0.56 0.24 -0.10 0.68 -1.23 0.00 0.00 174.94 175.08 3d23 s VAL 18 N 0.98 1.71 -0.11 2.92 -7.23 -0.31 -4.77 120.40 113.59 3d23 s VAL 18 Ca 0.33 -2.18 -0.09 0.00 -1.81 0.00 0.00 61.98 58.24 3d23 s VAL 18 Cb -0.17 -2.24 -0.04 0.00 0.56 0.00 0.00 36.38 34.49 3d23 s VAL 18 CO 0.14 -0.45 0.19 -0.94 -0.31 0.00 0.00 175.10 173.73 3d23 s SER 19 N -3.38 6.45 -0.09 4.85 1.04 -0.82 0.16 113.70 121.90 3d23 s SER 19 Ca 0.26 0.53 0.04 0.00 0.48 0.00 0.00 55.95 57.27 3d23 s SER 19 Cb 0.01 -2.10 -0.00 0.00 0.10 0.00 0.00 66.02 64.03 3d23 s SER 19 CO 0.09 0.37 -0.23 -0.69 0.98 0.00 0.00 173.24 173.76 3d23 s VAL 20 N -0.91 2.14 -0.05 5.02 1.01 0.23 -1.93 120.40 125.90 3d23 s VAL 20 Ca 0.16 -1.01 0.04 0.00 0.00 0.00 0.00 61.98 61.17 3d23 s VAL 20 Cb -0.13 -1.81 0.00 0.00 0.00 0.00 0.00 36.38 34.45 3d23 s VAL 20 CO 0.05 0.56 -0.17 -0.89 0.00 0.00 0.00 175.10 174.66 3d23 s THR 21 N 0.18 1.42 -0.05 3.92 2.01 -0.04 -1.62 115.64 121.45 3d23 s THR 21 Ca -0.14 -0.69 -0.02 0.00 0.31 0.00 0.00 61.69 61.15 3d23 s THR 21 Cb -0.17 -1.24 0.04 0.00 0.01 0.00 0.00 72.50 71.15 3d23 s THR 21 CO 0.07 0.41 0.10 -0.47 -0.69 0.00 0.00 174.62 174.04 3d23 s TYR 22 N 0.20 -0.06 0.00 4.92 5.04 -0.22 -1.86 117.35 125.37 3d23 s TYR 22 Ca -0.08 0.39 0.00 0.00 -2.44 0.00 0.00 57.07 54.94 3d23 s TYR 22 Cb -0.13 -0.30 0.00 0.00 0.35 0.00 0.00 41.96 41.88 3d23 s TYR 22 CO 0.03 -0.19 0.00 0.41 -1.34 0.00 0.00 175.55 174.46 3d23 n GLY 23 N 4.93 3.78 1.72 8.97 0.00 -1.26 -1.70 105.19 121.62 3d23 n GLY 23 Ca -0.12 -0.02 0.09 0.00 0.00 0.00 0.00 46.02 45.97 3d23 n GLY 23 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 3d23 n SER 24 N 7.49 5.14 -4.20 1.61 3.41 -1.26 -4.95 113.62 120.86 3d23 n SER 24 Ca 0.00 -2.60 -0.32 0.00 -0.26 0.00 0.00 58.87 55.69 3d23 n SER 24 Cb 0.00 -0.62 -0.17 0.00 -0.26 0.00 0.00 64.21 63.16 3d23 n SER 24 CO 0.00 0.00 0.00 -0.32 -0.16 0.00 0.00 175.04 174.56 3d23 s MET 25 N -2.14 3.03 -0.01 4.33 0.00 -0.69 -5.11 119.30 118.71 3d23 s MET 25 Ca 0.53 -0.87 0.07 0.00 0.00 0.00 0.00 55.69 55.42 3d23 s MET 25 Cb 0.36 -2.33 -0.02 0.00 0.00 0.00 0.00 34.83 32.84 3d23 s MET 25 CO 0.22 0.12 -0.22 0.99 0.00 0.00 0.00 175.02 176.13 3d23 s THR 26 N 0.49 1.76 0.00 10.11 2.01 -1.26 -1.06 115.64 127.69 3d23 s THR 26 Ca -0.15 -0.99 0.00 0.00 0.31 0.00 0.00 61.69 60.85 3d23 s THR 26 Cb -0.17 -1.47 0.00 0.00 0.01 0.00 0.00 72.50 70.87 3d23 s THR 26 CO 0.06 0.46 0.00 0.00 -0.69 0.00 0.00 174.62 174.44 3d23 n LEU 27 N 2.42 0.00 -4.74 4.42 -0.00 -0.64 -4.84 117.00 113.63 3d23 n LEU 27 Ca -0.16 0.00 -0.29 0.00 -0.00 0.00 0.00 56.01 55.57 3d23 n LEU 27 Cb 0.52 0.00 -0.07 0.00 -0.00 0.00 0.00 43.42 43.88 3d23 n LEU 27 CO 0.23 0.00 -0.29 0.20 -0.00 0.00 0.00 177.39 177.54 3d23 s ASN 28 N -0.13 5.25 0.24 1.45 0.01 -0.57 -0.60 114.94 120.60 3d23 s ASN 28 Ca 0.00 -0.15 0.02 0.00 -0.71 0.00 0.00 52.86 52.02 3d23 s ASN 28 Cb 0.00 -1.31 -0.05 0.00 0.41 0.00 0.00 41.25 40.30 3d23 s ASN 28 CO 0.00 0.13 0.05 -0.83 -1.51 0.00 0.00 177.10 174.94 3d23 s GLY 29 N -2.63 1.61 -0.19 0.66 0.00 0.12 -4.16 107.32 102.73 3d23 s GLY 29 Ca 0.28 -1.80 -0.01 0.00 0.00 0.00 0.00 44.72 43.20 3d23 s GLY 29 CO 0.21 -1.62 -0.14 -2.27 0.00 0.00 0.00 173.10 169.29 3d23 s LEU 30 N -3.29 2.46 -0.35 0.66 2.96 -0.04 -1.16 118.68 119.92 3d23 s LEU 30 Ca 0.32 -0.53 -0.12 0.00 -0.22 0.00 0.00 54.13 53.58 3d23 s LEU 30 Cb 0.07 -1.59 -0.00 0.00 0.50 0.00 0.00 46.19 45.17 3d23 s LEU 30 CO 0.10 0.01 0.22 0.86 -1.32 0.00 0.00 176.35 176.22 3d23 s TRP 31 N 1.28 3.22 -0.02 5.38 -0.00 0.20 -0.91 118.94 128.09 3d23 s TRP 31 Ca 0.04 -0.48 0.01 0.00 -0.00 0.00 0.00 56.10 55.67 3d23 s TRP 31 Cb -0.14 -2.46 0.02 0.00 -0.00 0.00 0.00 33.47 30.89 3d23 s TRP 31 CO -0.07 -0.47 -0.02 -0.51 -0.00 0.00 0.00 176.95 175.88 3d23 s LEU 32 N 1.66 1.45 0.00 5.86 1.43 0.64 -4.62 118.68 125.10 3d23 s LEU 32 Ca 0.05 -0.06 0.00 0.00 -1.03 0.00 0.00 54.13 53.09 3d23 s LEU 32 Cb -0.18 -0.25 0.00 0.00 0.03 0.00 0.00 46.19 45.79 3d23 s LEU 32 CO 0.09 -0.05 0.00 0.47 0.23 0.00 0.00 176.35 177.09 3d23 n ASP 33 N 3.77 0.00 -1.60 2.29 8.00 -1.26 -0.46 116.55 127.29 3d23 n ASP 33 Ca -0.23 0.00 -0.04 0.00 0.71 0.00 0.00 54.79 55.23 3d23 n ASP 33 Cb 0.53 0.00 0.26 0.00 -0.02 0.00 0.00 41.12 41.89 3d23 n ASP 33 CO 0.00 0.00 0.00 -0.90 -0.39 0.00 0.00 177.20 175.91 3d23 n ASP 34 N 2.23 4.02 -4.54 -2.24 3.85 -1.26 -1.01 116.55 117.59 3d23 n ASP 34 Ca 0.00 -3.34 -0.34 0.00 -0.71 0.00 0.00 54.79 50.40 3d23 n ASP 34 Cb 0.00 -0.69 -0.12 0.00 -1.35 0.00 0.00 41.12 38.96 3d23 n ASP 34 CO 0.00 0.00 0.00 -0.54 -1.01 0.00 0.00 177.20 175.65 3d23 s LYS 35 N -3.05 2.85 -0.09 0.11 -0.14 0.40 -0.37 119.74 119.45 3d23 s LYS 35 Ca 0.50 -0.58 0.03 0.00 -1.36 0.00 0.00 55.97 54.57 3d23 s LYS 35 Cb 0.42 -2.59 0.01 0.00 -1.68 0.00 0.00 37.83 33.98 3d23 s LYS 35 CO 0.09 0.59 -0.20 0.54 -0.76 0.00 0.00 175.35 175.61 3d23 s VAL 36 N -0.60 1.73 -0.09 3.17 0.11 -0.22 -0.26 120.40 124.23 3d23 s VAL 36 Ca 0.09 -0.82 -0.00 0.00 -2.93 0.00 0.00 61.98 58.32 3d23 s VAL 36 Cb -0.12 -1.51 -0.03 0.00 -1.53 0.00 0.00 36.38 33.19 3d23 s VAL 36 CO 0.02 0.49 -0.06 -0.31 -3.33 0.00 0.00 175.10 171.91 3d23 s TYR 37 N 0.49 2.98 0.20 1.54 2.02 -0.09 -0.20 117.35 124.29 3d23 s TYR 37 Ca -0.17 -0.03 -0.23 0.00 -0.37 0.00 0.00 57.07 56.27 3d23 s TYR 37 Cb -0.17 -1.77 0.05 0.00 -0.40 0.00 0.00 41.96 39.67 3d23 s TYR 37 CO 0.07 0.27 0.78 0.00 -1.57 0.00 0.00 175.55 175.09 3d23 s PRO 39 N -3.64 2.88 0.28 0.00 0.02 -1.26 0.27 135.00 133.54 3d23 s PRO 39 Ca 0.09 1.97 0.15 0.00 0.02 0.00 0.00 61.00 63.23 3d23 s PRO 39 Cb -0.03 -1.97 0.15 0.00 0.02 0.00 0.00 34.50 32.67 3d23 s PRO 39 CO 0.00 -1.31 1.48 0.07 -0.33 0.00 0.00 177.00 176.91 3d23 h ARG 40 N 0.90 0.00 0.00 5.54 0.11 -1.18 -3.18 114.38 116.57 3d23 h ARG 40 Ca -0.51 0.00 0.00 0.00 0.10 0.00 0.00 59.98 59.57 3d23 h ARG 40 Cb 1.31 0.00 0.00 0.00 1.11 0.00 0.00 29.97 32.39 3d23 h ARG 40 CO 0.55 0.55 0.00 -2.39 0.10 0.00 0.00 179.97 178.78 3d23 n HIS 41 N -3.31 0.00 0.29 4.08 1.44 -1.26 -0.94 115.22 115.52 3d23 n HIS 41 Ca 0.01 0.00 0.15 0.00 -2.01 0.00 0.00 57.72 55.88 3d23 n HIS 41 Cb 0.72 0.00 0.87 0.00 0.12 0.00 0.00 29.99 31.70 3d23 n HIS 41 CO 0.00 0.00 0.00 -0.24 -2.81 0.00 0.00 176.34 173.29 3d23 h VAL 42 N 0.00 0.44 -0.44 0.61 3.04 -1.94 -2.41 116.25 115.55 3d23 h VAL 42 Ca 0.00 -0.26 0.00 0.00 -1.01 0.00 0.00 66.70 65.43 3d23 h VAL 42 Cb 0.00 1.18 0.00 0.00 -2.01 0.00 0.00 31.29 30.46 3d23 h VAL 42 CO 0.00 0.05 0.00 2.30 -1.01 0.00 0.00 177.57 178.91 3d23 n ILE 43 N -3.60 0.67 -2.24 3.17 -5.35 -0.12 -4.58 119.36 107.31 3d23 n ILE 43 Ca -0.02 -0.61 -0.32 0.00 -0.27 0.00 0.00 62.75 61.53 3d23 n ILE 43 Cb 0.16 0.25 -0.02 0.00 -1.74 0.00 0.00 39.64 38.29 3d23 n ILE 43 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 3d23 n SER 45 N -1.90 0.34 0.00 0.00 3.41 -1.26 -4.89 113.62 109.32 3d23 n SER 45 Ca 0.07 -2.25 0.00 0.00 -0.26 0.00 0.00 58.87 56.43 3d23 n SER 45 Cb 0.54 -0.01 0.00 0.00 -0.26 0.00 0.00 64.21 64.48 3d23 n SER 45 CO 0.00 0.00 0.00 0.80 -0.16 0.00 0.00 175.04 175.68 3d23 n MET 49 N -0.76 0.00 0.00 4.33 1.56 -1.26 -5.17 117.12 115.82 3d23 n MET 49 Ca -0.00 0.00 0.10 0.00 -0.27 0.00 0.00 57.70 57.53 3d23 n MET 49 Cb 0.83 0.00 -0.08 0.00 2.15 0.00 0.00 33.22 36.12 3d23 n MET 49 CO 0.00 0.00 0.00 0.27 -0.73 0.00 0.00 175.97 175.51 3d23 n ASN 50 N 0.00 1.32 -3.36 6.12 6.94 -1.26 -4.68 115.26 120.33 3d23 n ASN 50 Ca 0.00 -1.16 -0.26 0.00 -0.02 0.00 0.00 54.58 53.14 3d23 n ASN 50 Cb 0.00 0.82 -0.09 0.00 -2.36 0.00 0.00 39.78 38.14 3d23 n ASN 50 CO 0.00 0.00 0.00 1.21 -1.03 0.00 0.00 177.26 177.44 3d23 n GLU 51 N -0.97 0.35 -2.30 -3.83 4.07 -1.26 -2.22 120.64 114.48 3d23 n GLU 51 Ca 0.06 -3.23 -0.41 0.00 -0.06 0.00 0.00 57.16 53.52 3d23 n GLU 51 Cb 0.36 -1.60 -0.03 0.00 -0.06 0.00 0.00 31.44 30.11 3d23 n GLU 51 CO 0.00 0.00 0.00 -2.14 -0.06 0.00 0.00 177.13 174.93 3d23 s PRO 52 N -0.26 4.48 -0.68 5.31 0.02 -1.26 -4.97 135.00 137.64 3d23 s PRO 52 Ca 0.33 1.99 -0.16 0.00 0.02 0.00 0.00 61.00 63.18 3d23 s PRO 52 Cb 0.06 -3.16 0.16 0.00 0.02 0.00 0.00 34.50 31.58 3d23 s PRO 52 CO -0.18 -0.05 0.67 0.34 -0.33 0.00 0.00 177.00 177.46 3d23 s ASP 53 N -0.35 6.43 0.22 2.53 2.15 -1.26 -4.95 116.67 121.45 3d23 s ASP 53 Ca 0.50 -2.08 0.04 0.00 0.43 0.00 0.00 52.55 51.43 3d23 s ASP 53 Cb -0.35 -2.24 0.20 0.00 -0.30 0.00 0.00 42.92 40.23 3d23 s ASP 53 CO 0.43 -0.81 1.52 1.88 -0.17 0.00 0.00 175.17 178.03 3d23 h TYR 54 N 8.52 0.29 -0.53 -5.34 0.05 -1.99 -2.39 116.97 115.58 3d23 h TYR 54 Ca -0.12 -0.12 -0.04 0.00 0.05 0.00 0.00 58.73 58.50 3d23 h TYR 54 Cb 1.07 -0.05 -0.02 0.00 1.01 0.00 0.00 36.73 38.74 3d23 h TYR 54 CO 0.89 0.81 0.18 0.66 -1.05 0.00 0.00 178.16 179.65 3d23 h SER 55 N 0.15 0.76 -0.93 3.88 4.64 -1.99 0.25 113.55 120.31 3d23 h SER 55 Ca -0.01 -0.19 -0.00 0.00 -0.47 0.00 0.00 61.79 61.11 3d23 h SER 55 Cb 1.19 -0.20 -0.04 0.00 -0.31 0.00 0.00 62.40 63.04 3d23 h SER 55 CO 0.10 0.75 0.57 0.00 -0.87 0.00 0.00 176.83 177.38 3d23 h ALA 56 N 1.04 1.18 -0.40 5.18 0.00 -1.99 -2.61 119.26 121.66 3d23 h ALA 56 Ca 0.17 -0.10 -0.00 0.00 0.00 0.00 0.00 54.91 54.99 3d23 h ALA 56 Cb 0.25 -0.37 -0.02 0.00 0.00 0.00 0.00 17.79 17.65 3d23 h ALA 56 CO -0.01 0.63 0.24 -0.07 0.00 0.00 0.00 179.25 180.04 3d23 h LEU 57 N 1.27 0.47 -0.75 0.00 4.07 -0.85 -2.90 115.31 116.62 3d23 h LEU 57 Ca 0.33 -0.05 0.15 0.00 0.08 0.00 0.00 57.88 58.40 3d23 h LEU 57 Cb -0.07 -0.12 -0.10 0.00 1.08 0.00 0.00 40.66 41.45 3d23 h LEU 57 CO -0.06 0.38 0.26 0.25 -1.08 0.00 0.00 178.44 178.19 3d23 h LEU 58 N 0.52 0.20 -1.35 1.67 6.46 -0.20 -2.35 115.31 120.26 3d23 h LEU 58 Ca 0.14 0.12 0.18 0.00 -0.12 0.00 0.00 57.88 58.20 3d23 h LEU 58 Cb -0.01 0.12 -0.07 0.00 -0.73 0.00 0.00 40.66 39.97 3d23 h LEU 58 CO -0.03 0.05 0.59 0.00 -0.62 0.00 0.00 178.44 178.44 3d23 n ARG 60 N -4.57 0.05 -2.25 0.00 1.74 -0.89 -4.79 116.66 105.95 3d23 n ARG 60 Ca 0.19 -0.01 -0.42 0.00 -0.77 0.00 0.00 57.85 56.84 3d23 n ARG 60 Cb 0.60 -1.50 -0.03 0.00 -1.02 0.00 0.00 32.46 30.51 3d23 n ARG 60 CO 0.00 0.00 0.00 0.08 -1.52 0.00 0.00 177.63 176.19 3d23 s VAL 61 N -2.95 3.74 0.50 1.55 1.01 -0.30 -5.02 120.40 118.92 3d23 s VAL 61 Ca 0.15 1.15 0.01 0.00 0.00 0.00 0.00 61.98 63.29 3d23 s VAL 61 Cb 0.19 -3.74 -0.01 0.00 0.00 0.00 0.00 36.38 32.82 3d23 s VAL 61 CO 0.55 0.01 0.03 0.42 0.00 0.00 0.00 175.10 176.12 3d23 s THR 62 N 2.19 0.97 -0.06 3.92 -4.23 -1.26 -5.04 115.64 112.12 3d23 s THR 62 Ca 0.63 -2.00 -0.23 0.00 -1.18 0.00 0.00 61.69 58.91 3d23 s THR 62 Cb -0.31 -2.14 -0.18 0.00 1.34 0.00 0.00 72.50 71.21 3d23 s THR 62 CO 0.27 0.00 0.92 0.25 -0.54 0.00 0.00 174.62 175.51 3d23 h LEU 63 N 1.41 -0.10 -0.65 4.79 5.85 -1.96 -3.05 115.31 121.60 3d23 h LEU 63 Ca -0.42 -0.50 0.00 0.00 0.84 0.00 0.00 57.88 57.80 3d23 h LEU 63 Cb 1.31 0.03 0.00 0.00 0.37 0.00 0.00 40.66 42.37 3d23 h LEU 63 CO 0.70 0.53 0.00 0.61 -0.34 0.00 0.00 178.44 179.93 3d23 n GLY 64 N 0.75 0.20 0.27 3.75 0.00 -1.26 -3.07 105.19 105.82 3d23 n GLY 64 Ca -0.08 -0.09 0.17 0.00 0.00 0.00 0.00 46.02 46.02 3d23 n GLY 64 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 3d23 h ASP 65 N 0.44 0.00 -3.34 1.61 3.32 -1.94 -3.44 116.42 113.08 3d23 h ASP 65 Ca 0.00 0.00 -0.59 0.00 0.02 0.00 0.00 57.03 56.46 3d23 h ASP 65 Cb 0.31 0.00 -0.10 0.00 0.22 0.00 0.00 39.33 39.75 3d23 h ASP 65 CO 0.02 0.00 -0.32 -0.36 -1.72 0.00 0.00 179.24 176.86 3d23 s PHE 66 N -3.61 3.44 -0.25 4.55 0.08 -1.18 -4.38 117.98 116.64 3d23 s PHE 66 Ca 0.02 0.58 -0.06 0.00 0.12 0.00 0.00 56.93 57.58 3d23 s PHE 66 Cb 0.09 -2.37 -0.02 0.00 -0.57 0.00 0.00 43.02 40.15 3d23 s PHE 66 CO 0.55 0.19 0.05 0.99 -0.10 0.00 0.00 175.22 176.89 3d23 s THR 67 N 0.63 4.05 -0.22 0.64 2.01 -0.77 -4.81 115.64 117.17 3d23 s THR 67 Ca 0.16 -0.31 0.02 0.00 0.31 0.00 0.00 61.69 61.87 3d23 s THR 67 Cb -0.13 -2.91 0.04 0.00 0.01 0.00 0.00 72.50 69.51 3d23 s THR 67 CO 0.04 0.32 -0.15 -0.63 -0.69 0.00 0.00 174.62 173.52 3d23 s ILE 68 N 1.57 2.06 -0.14 1.82 1.01 -1.26 -0.86 121.20 125.40 3d23 s ILE 68 Ca 0.06 -1.26 -0.03 0.00 0.00 0.00 0.00 60.65 59.41 3d23 s ILE 68 Cb -0.15 -2.03 -0.03 0.00 0.01 0.00 0.00 42.46 40.26 3d23 s ILE 68 CO 0.02 0.24 -0.03 -0.04 0.00 0.00 0.00 174.94 175.13 3d23 s MET 69 N 1.22 3.56 -0.42 2.79 -1.94 -0.81 0.48 119.30 124.18 3d23 s MET 69 Ca -0.02 -0.50 -0.07 0.00 -1.71 0.00 0.00 55.69 53.39 3d23 s MET 69 Cb -0.17 -2.89 0.10 0.00 2.01 0.00 0.00 34.83 33.88 3d23 s MET 69 CO -0.09 0.32 0.24 0.45 -0.01 0.00 0.00 175.02 175.93 3d23 s SER 70 N 0.16 5.47 1.73 3.03 0.15 0.14 -1.95 113.70 122.43 3d23 s SER 70 Ca -0.01 -1.77 0.00 0.00 0.70 0.00 0.00 55.95 54.87 3d23 s SER 70 Cb -0.14 -1.92 0.00 0.00 -1.71 0.00 0.00 66.02 62.25 3d23 s SER 70 CO 0.03 -0.56 0.00 0.61 1.20 0.00 0.00 173.24 174.52 3d23 n GLY 71 N 4.79 4.08 0.31 9.45 0.00 -1.26 -1.24 105.19 121.32 3d23 n GLY 71 Ca -0.07 0.17 0.12 0.00 0.00 0.00 0.00 46.02 46.25 3d23 n GLY 71 CO 0.00 0.00 0.00 -0.96 0.00 0.00 0.00 173.32 172.36 3d23 n ARG 72 N 14.00 0.91 -3.20 1.61 -4.01 -1.26 -4.92 116.66 119.80 3d23 n ARG 72 Ca 0.00 -0.63 -0.40 0.00 -1.04 0.00 0.00 57.85 55.79 3d23 n ARG 72 Cb 0.00 -1.49 -0.06 0.00 -3.04 0.00 0.00 32.46 27.87 3d23 n ARG 72 CO 0.00 0.00 0.00 1.41 -3.04 0.00 0.00 177.63 176.00 3d23 s MET 73 N -2.52 4.20 -0.27 2.89 1.75 -0.37 -5.05 119.30 119.93 3d23 s MET 73 Ca 0.22 0.49 -0.19 0.00 -1.25 0.00 0.00 55.69 54.96 3d23 s MET 73 Cb 0.19 -3.57 -0.02 0.00 2.84 0.00 0.00 34.83 34.27 3d23 s MET 73 CO 0.55 -0.19 0.57 0.45 -0.65 0.00 0.00 175.02 175.75 3d23 s SER 74 N 1.18 6.49 0.10 1.11 0.15 -1.26 0.27 113.70 121.74 3d23 s SER 74 Ca 0.26 0.56 -0.19 0.00 0.70 0.00 0.00 55.95 57.28 3d23 s SER 74 Cb -0.16 -2.31 -0.07 0.00 -1.71 0.00 0.00 66.02 61.78 3d23 s SER 74 CO 0.10 -0.35 0.59 -0.76 1.20 0.00 0.00 173.24 174.01 3d23 s LEU 75 N 2.43 4.49 -0.22 3.45 1.43 0.18 -4.99 118.68 125.45 3d23 s LEU 75 Ca 0.24 1.26 -0.12 0.00 -1.03 0.00 0.00 54.13 54.48 3d23 s LEU 75 Cb -0.15 -3.03 -0.05 0.00 0.03 0.00 0.00 46.19 42.99 3d23 s LEU 75 CO 0.09 0.23 0.24 0.42 0.23 0.00 0.00 176.35 177.55 3d23 s THR 76 N -1.20 5.32 0.04 5.49 -4.23 -1.26 -4.13 115.64 115.67 3d23 s THR 76 Ca 0.32 0.37 -0.23 0.00 -1.18 0.00 0.00 61.69 60.97 3d23 s THR 76 Cb -0.19 -3.57 -0.06 0.00 1.34 0.00 0.00 72.50 70.02 3d23 s THR 76 CO 0.20 0.34 0.68 0.54 -0.54 0.00 0.00 174.62 175.83 3d23 s VAL 77 N 0.97 4.76 -0.04 2.29 0.11 -1.26 -0.86 120.40 126.36 3d23 s VAL 77 Ca 0.12 1.44 0.10 0.00 -2.93 0.00 0.00 61.98 60.71 3d23 s VAL 77 Cb -0.13 -4.02 -0.15 0.00 -1.53 0.00 0.00 36.38 30.55 3d23 s VAL 77 CO 0.04 0.42 0.16 0.52 -3.33 0.00 0.00 175.10 172.92 3d23 n VAL 78 N 2.52 0.24 -3.54 2.04 0.31 0.25 -4.90 118.33 115.25 3d23 n VAL 78 Ca -0.05 -0.30 -0.16 0.00 -0.01 0.00 0.00 64.34 63.82 3d23 n VAL 78 Cb 0.50 -0.10 -0.06 0.00 -0.91 0.00 0.00 33.84 33.28 3d23 n VAL 78 CO 0.00 0.00 0.00 -0.94 -1.32 0.00 0.00 176.83 174.57 3d23 s SER 79 N -3.56 -0.59 -0.04 4.52 1.04 -1.14 -4.97 113.70 108.96 3d23 s SER 79 Ca -0.04 0.67 0.07 0.00 0.48 0.00 0.00 55.95 57.13 3d23 s SER 79 Cb 0.05 0.52 -0.02 0.00 0.10 0.00 0.00 66.02 66.67 3d23 s SER 79 CO 0.42 -0.53 -0.25 -0.72 0.98 0.00 0.00 173.24 173.14 3d23 s TYR 80 N -1.11 2.37 0.02 5.02 1.13 -1.26 -0.21 117.35 123.31 3d23 s TYR 80 Ca -0.08 -0.58 0.00 0.00 -1.41 0.00 0.00 57.07 55.00 3d23 s TYR 80 Cb -0.00 -1.54 -0.02 0.00 -1.10 0.00 0.00 41.96 39.30 3d23 s TYR 80 CO 0.08 -0.13 -0.04 1.14 -2.51 0.00 0.00 175.55 174.09 3d23 s GLN 81 N -0.38 0.35 -0.14 -3.49 -2.07 -0.75 -5.02 119.66 108.17 3d23 s GLN 81 Ca 0.03 -0.66 -0.17 0.00 -1.82 0.00 0.00 55.36 52.74 3d23 s GLN 81 Cb -0.12 0.07 -0.04 0.00 -1.09 0.00 0.00 33.01 31.83 3d23 s GLN 81 CO 0.01 -0.04 0.43 1.41 -1.32 0.00 0.00 175.29 175.78 3d23 s MET 82 N -1.60 4.31 -0.22 9.60 -2.45 -1.26 -1.57 119.30 126.11 3d23 s MET 82 Ca -0.14 0.35 -0.01 0.00 -1.25 0.00 0.00 55.69 54.63 3d23 s MET 82 Cb -0.09 -3.44 0.06 0.00 1.25 0.00 0.00 34.83 32.61 3d23 s MET 82 CO -0.01 0.16 0.01 -1.14 1.05 0.00 0.00 175.02 175.08 3d23 s GLN 83 N 0.66 1.03 7.03 4.11 0.74 -0.30 -4.98 119.66 127.94 3d23 s GLN 83 Ca 0.23 -0.69 0.00 0.00 0.05 0.00 0.00 55.36 54.95 3d23 s GLN 83 Cb -0.15 -2.29 0.00 0.00 1.10 0.00 0.00 33.01 31.67 3d23 s GLN 83 CO 0.08 -0.65 0.00 0.41 -0.55 0.00 0.00 175.29 174.58 3d23 n GLY 84 N 4.89 4.11 1.20 2.59 0.00 -1.26 -2.33 105.19 114.39 3d23 n GLY 84 Ca -0.10 0.17 0.08 0.00 0.00 0.00 0.00 46.02 46.17 3d23 n GLY 84 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3d23 s GLN 86 N -2.41 1.81 -0.03 0.00 -2.07 -0.98 -0.72 119.66 115.25 3d23 s GLN 86 Ca 0.44 -1.75 -0.02 0.00 -1.82 0.00 0.00 55.36 52.21 3d23 s GLN 86 Cb 0.33 -1.82 -0.04 0.00 -1.09 0.00 0.00 33.01 30.39 3d23 s GLN 86 CO 0.14 0.29 0.09 -0.51 -1.32 0.00 0.00 175.29 173.98 3d23 s LEU 87 N -3.56 3.97 -0.27 2.60 1.43 0.14 -1.15 118.68 121.84 3d23 s LEU 87 Ca 0.31 0.22 -0.01 0.00 -1.03 0.00 0.00 54.13 53.61 3d23 s LEU 87 Cb -0.04 -2.21 0.04 0.00 0.03 0.00 0.00 46.19 44.01 3d23 s LEU 87 CO 0.16 0.31 -0.04 -0.69 0.23 0.00 0.00 176.35 176.32 3d23 s VAL 88 N -1.13 2.85 -0.32 -1.59 1.01 -0.61 -1.96 120.40 118.64 3d23 s VAL 88 Ca 0.21 -1.21 -0.09 0.00 0.00 0.00 0.00 61.98 60.88 3d23 s VAL 88 Cb -0.12 -2.53 0.00 0.00 0.00 0.00 0.00 36.38 33.73 3d23 s VAL 88 CO 0.11 0.07 0.15 -0.76 0.00 0.00 0.00 175.10 174.67 3d23 s LEU 89 N 1.28 4.21 0.19 3.92 1.43 0.72 -1.81 118.68 128.63 3d23 s LEU 89 Ca -0.03 -0.66 -0.26 0.00 -1.03 0.00 0.00 54.13 52.15 3d23 s LEU 89 Cb -0.18 -1.99 -0.08 0.00 0.03 0.00 0.00 46.19 43.97 3d23 s LEU 89 CO -0.03 -0.24 0.83 -0.89 0.23 0.00 0.00 176.35 176.25 3d23 s THR 90 N 1.58 4.28 0.48 5.49 2.01 0.70 -1.05 115.64 129.13 3d23 s THR 90 Ca 0.04 1.81 0.03 0.00 0.31 0.00 0.00 61.69 63.87 3d23 s THR 90 Cb -0.18 -4.18 -0.03 0.00 0.01 0.00 0.00 72.50 68.12 3d23 s THR 90 CO 0.06 0.50 0.01 0.68 -0.69 0.00 0.00 174.62 175.18 3d23 s VAL 91 N -1.18 1.29 -0.92 3.82 -7.23 0.51 -0.58 120.40 116.11 3d23 s VAL 91 Ca 0.38 -2.00 0.28 0.00 -1.81 0.00 0.00 61.98 58.82 3d23 s VAL 91 Cb -0.24 -2.36 0.25 0.00 0.56 0.00 0.00 36.38 34.59 3d23 s VAL 91 CO 0.28 0.00 1.87 -1.54 -0.31 0.00 0.00 175.10 175.39 3d23 n SER 92 N -1.19 0.24 -4.06 4.85 3.41 -0.04 -4.76 113.62 112.07 3d23 n SER 92 Ca -0.15 0.52 -0.25 0.00 -0.26 0.00 0.00 58.87 58.74 3d23 n SER 92 Cb 0.67 -0.59 -0.16 0.00 -0.26 0.00 0.00 64.21 63.87 3d23 n SER 92 CO 0.00 0.00 0.00 -0.22 -0.16 0.00 0.00 175.04 174.66 3d23 s LEU 93 N -3.46 1.76 -0.09 1.04 2.96 -1.26 -5.06 118.68 114.57 3d23 s LEU 93 Ca 0.13 -0.31 -0.28 0.00 -0.22 0.00 0.00 54.13 53.45 3d23 s LEU 93 Cb 0.17 -0.85 -0.02 0.00 0.50 0.00 0.00 46.19 45.99 3d23 s LEU 93 CO 0.54 0.08 0.94 -1.58 -1.32 0.00 0.00 176.35 175.00 3d23 s GLN 94 N 0.40 4.43 -0.41 1.98 2.00 -1.26 -4.14 119.66 122.66 3d23 s GLN 94 Ca -0.10 1.27 -0.29 0.00 -2.00 0.00 0.00 55.36 54.24 3d23 s GLN 94 Cb -0.14 -3.52 0.01 0.00 0.80 0.00 0.00 33.01 30.16 3d23 s GLN 94 CO 0.03 -0.22 1.39 1.21 -0.50 0.00 0.00 175.29 177.21 3d23 s ASN 95 N 1.06 6.37 0.11 6.67 3.04 -0.18 -4.83 114.94 127.18 3d23 s ASN 95 Ca 0.46 0.83 0.16 0.00 0.04 0.00 0.00 52.86 54.35 3d23 s ASN 95 Cb -0.18 -2.54 0.69 0.00 -1.54 0.00 0.00 41.25 37.67 3d23 s ASN 95 CO 0.19 -1.41 1.48 -0.81 -3.04 0.00 0.00 177.10 173.52 3d23 n PRO 96 N 8.02 0.07 -0.31 0.43 -0.04 -1.26 -0.87 135.00 141.05 3d23 n PRO 96 Ca 0.16 0.39 0.11 0.00 -0.04 0.00 0.00 63.50 64.12 3d23 n PRO 96 Cb 0.48 -1.66 0.29 0.00 -0.04 0.00 0.00 33.50 32.56 3d23 n PRO 96 CO 0.00 0.00 0.00 0.66 -0.04 0.00 0.00 175.50 176.12 3d23 n TYR 97 N -1.81 0.82 -1.68 0.54 4.01 -1.26 -4.96 117.16 112.83 3d23 n TYR 97 Ca 0.02 -0.41 -0.47 0.00 -0.16 0.00 0.00 57.90 56.88 3d23 n TYR 97 Cb 0.14 0.00 -0.04 0.00 -0.31 0.00 0.00 39.34 39.13 3d23 n TYR 97 CO 0.00 0.00 0.00 2.41 -0.46 0.00 0.00 176.86 178.81 3d23 n THR 98 N 1.45 0.35 -2.42 -0.72 -1.04 -0.04 -4.93 114.28 106.92 3d23 n THR 98 Ca 0.22 -0.06 -0.28 0.00 -2.04 0.00 0.00 64.05 61.89 3d23 n THR 98 Cb 0.57 -1.78 0.01 0.00 -1.82 0.00 0.00 70.33 67.31 3d23 n THR 98 CO 0.00 0.00 0.00 -2.16 -0.64 0.00 0.00 175.07 172.27 3d23 s PRO 99 N 2.78 3.29 -0.28 -2.82 0.04 -1.26 -5.01 135.00 131.73 3d23 s PRO 99 Ca 0.86 0.20 -0.43 0.00 0.04 0.00 0.00 61.00 61.68 3d23 s PRO 99 Cb -0.66 -2.29 -0.18 0.00 0.04 0.00 0.00 34.50 31.41 3d23 s PRO 99 CO 0.45 -0.47 1.51 1.63 0.04 0.00 0.00 177.00 180.16 3d23 n LYS 100 N -2.47 0.43 -3.98 4.56 4.76 -1.26 -4.94 118.16 115.26 3d23 n LYS 100 Ca 0.03 0.16 -0.10 0.00 -2.87 0.00 0.00 58.31 55.53 3d23 n LYS 100 Cb 0.56 -1.72 -0.07 0.00 -1.84 0.00 0.00 35.03 31.96 3d23 n LYS 100 CO 0.00 0.00 0.00 1.52 -1.37 0.00 0.00 177.40 177.55 3d23 s TYR 101 N 2.29 0.43 0.06 2.13 1.13 -1.26 -1.15 117.35 120.98 3d23 s TYR 101 Ca 0.98 -0.78 -0.03 0.00 -1.41 0.00 0.00 57.07 55.83 3d23 s TYR 101 Cb -1.28 -0.04 -0.03 0.00 -1.10 0.00 0.00 41.96 39.51 3d23 s TYR 101 CO 0.69 -0.77 0.02 0.95 -2.51 0.00 0.00 175.55 173.93 3d23 s THR 102 N -3.99 0.20 -0.11 -3.49 -4.23 0.10 -4.91 115.64 99.21 3d23 s THR 102 Ca 0.20 -1.68 -0.10 0.00 -1.18 0.00 0.00 61.69 58.92 3d23 s THR 102 Cb 0.03 -1.50 -0.05 0.00 1.34 0.00 0.00 72.50 72.32 3d23 s THR 102 CO 0.02 -0.91 0.23 -0.36 -0.54 0.00 0.00 174.62 173.07 3d23 s PHE 103 N -3.91 3.58 0.00 3.99 0.08 -1.26 -1.13 117.98 119.33 3d23 s PHE 103 Ca 0.07 0.63 0.00 0.00 0.12 0.00 0.00 56.93 57.75 3d23 s PHE 103 Cb 0.07 -2.12 0.00 0.00 -0.57 0.00 0.00 43.02 40.40 3d23 s PHE 103 CO -0.10 0.57 0.00 0.41 -0.10 0.00 0.00 175.22 176.00 3d23 n GLY 104 N 2.40 3.29 3.29 4.36 0.00 -0.55 -4.92 105.19 113.06 3d23 n GLY 104 Ca -0.17 -1.35 -0.21 0.00 0.00 0.00 0.00 46.02 44.29 3d23 n GLY 104 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 3d23 s ASN 105 N -0.69 2.45 -0.13 1.61 0.01 -1.26 -4.36 114.94 112.56 3d23 s ASN 105 Ca 0.00 -0.80 0.01 0.00 -0.71 0.00 0.00 52.86 51.36 3d23 s ASN 105 Cb 0.00 -0.13 -0.01 0.00 0.41 0.00 0.00 41.25 41.53 3d23 s ASN 105 CO 0.00 -0.04 -0.16 -0.69 -1.51 0.00 0.00 177.10 174.70 3d23 s VAL 106 N -1.82 2.69 0.42 1.60 1.01 -1.26 -5.06 120.40 117.99 3d23 s VAL 106 Ca 0.11 -0.78 -0.15 0.00 0.00 0.00 0.00 61.98 61.16 3d23 s VAL 106 Cb -0.07 -2.11 -0.08 0.00 0.00 0.00 0.00 36.38 34.12 3d23 s VAL 106 CO 0.05 0.53 0.86 -0.54 0.00 0.00 0.00 175.10 176.00 3d23 s LYS 107 N 0.53 3.95 0.46 2.72 -0.14 -1.26 -5.00 119.74 121.00 3d23 s LYS 107 Ca -0.11 0.76 -0.23 0.00 -1.36 0.00 0.00 55.97 55.04 3d23 s LYS 107 Cb -0.16 -2.29 -0.09 0.00 -1.68 0.00 0.00 37.83 33.61 3d23 s LYS 107 CO 0.04 -0.07 0.98 -2.30 -0.76 0.00 0.00 175.35 173.25 3d23 n PRO 108 N -1.08 1.24 0.00 -1.68 -0.02 -1.26 -1.64 135.00 130.55 3d23 n PRO 108 Ca 0.05 0.45 0.00 0.00 -2.02 0.00 0.00 63.50 61.98 3d23 n PRO 108 Cb 0.54 -2.06 0.00 0.00 -0.02 0.00 0.00 33.50 31.96 3d23 n PRO 108 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3d23 n GLY 109 N 1.23 2.66 3.77 -1.23 0.00 0.14 -4.96 105.19 106.80 3d23 n GLY 109 Ca 0.10 -0.11 -0.37 0.00 0.00 0.00 0.00 46.02 45.64 3d23 n GLY 109 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3d23 s GLU 110 N 0.00 3.61 0.25 1.61 2.02 -0.65 -4.54 118.70 121.00 3d23 s GLU 110 Ca 0.00 1.84 0.10 0.00 0.02 0.00 0.00 54.97 56.92 3d23 s GLU 110 Cb 0.00 -2.34 -0.04 0.00 0.10 0.00 0.00 34.13 31.84 3d23 s GLU 110 CO 0.00 -0.69 -0.03 0.95 0.02 0.00 0.00 175.26 175.50 3d23 s THR 111 N -1.52 3.35 0.34 3.63 -4.23 -1.26 -0.72 115.64 115.22 3d23 s THR 111 Ca 0.66 -1.89 -0.18 0.00 -1.18 0.00 0.00 61.69 59.10 3d23 s THR 111 Cb -0.30 -2.76 0.05 0.00 1.34 0.00 0.00 72.50 70.82 3d23 s THR 111 CO 0.36 -0.32 0.79 0.72 -0.54 0.00 0.00 174.62 175.63 3d23 s PHE 112 N -2.21 0.01 -0.05 3.99 -0.12 -0.46 -4.95 117.98 114.19 3d23 s PHE 112 Ca 0.30 -0.60 -0.05 0.00 -0.05 0.00 0.00 56.93 56.54 3d23 s PHE 112 Cb -0.07 0.79 -0.04 0.00 -0.63 0.00 0.00 43.02 43.07 3d23 s PHE 112 CO 0.19 -1.41 0.18 0.99 -0.05 0.00 0.00 175.22 175.11 3d23 s THR 113 N -2.84 5.45 -0.10 -4.49 2.01 -0.62 -0.98 115.64 114.07 3d23 s THR 113 Ca 0.14 -0.00 -0.00 0.00 0.31 0.00 0.00 61.69 62.14 3d23 s THR 113 Cb -0.05 -3.49 -0.03 0.00 0.01 0.00 0.00 72.50 68.94 3d23 s THR 113 CO 0.09 0.43 -0.07 -0.69 -0.69 0.00 0.00 174.62 173.69 3d23 s VAL 114 N -1.22 3.62 -0.48 3.82 1.01 0.06 -0.41 120.40 126.79 3d23 s VAL 114 Ca 0.23 -0.49 -0.13 0.00 0.00 0.00 0.00 61.98 61.59 3d23 s VAL 114 Cb -0.12 -2.51 0.10 0.00 0.00 0.00 0.00 36.38 33.85 3d23 s VAL 114 CO 0.13 0.56 0.39 -0.22 0.00 0.00 0.00 175.10 175.96 3d23 s LEU 115 N -0.32 5.72 0.11 3.92 0.20 0.11 -2.06 118.68 126.36 3d23 s LEU 115 Ca 0.04 -1.64 -0.30 0.00 0.69 0.00 0.00 54.13 52.93 3d23 s LEU 115 Cb -0.13 -2.11 -0.06 0.00 -0.43 0.00 0.00 46.19 43.46 3d23 s LEU 115 CO 0.02 -0.70 1.05 0.00 -0.29 0.00 0.00 176.35 176.43 3d23 s ALA 116 N 1.52 3.30 0.02 5.97 0.00 -0.01 -3.11 121.76 129.46 3d23 s ALA 116 Ca 0.04 0.70 0.02 0.00 0.00 0.00 0.00 51.96 52.71 3d23 s ALA 116 Cb -0.26 -3.34 -0.02 0.00 0.00 0.00 0.00 23.12 19.50 3d23 s ALA 116 CO 0.03 -0.18 -0.06 0.00 0.00 0.00 0.00 175.76 175.55 3d23 s ALA 117 N 0.21 0.45 -0.08 0.00 0.00 -1.26 0.39 121.76 121.47 3d23 s ALA 117 Ca 0.50 -0.55 0.01 0.00 0.00 0.00 0.00 51.96 51.93 3d23 s ALA 117 Cb -0.26 0.01 0.02 0.00 0.00 0.00 0.00 23.12 22.89 3d23 s ALA 117 CO 0.31 0.00 -0.09 0.71 0.00 0.00 0.00 175.76 176.69 3d23 s TYR 118 N -0.95 1.32 -1.39 0.00 2.02 -0.61 -4.28 117.35 113.45 3d23 s TYR 118 Ca -0.07 -0.53 -0.10 0.00 -0.37 0.00 0.00 57.07 56.01 3d23 s TYR 118 Cb -0.07 -1.04 0.02 0.00 -0.40 0.00 0.00 41.96 40.47 3d23 s TYR 118 CO 0.00 -0.34 1.15 0.09 -1.57 0.00 0.00 175.55 174.88 3d23 n ASN 119 N 4.23 -6.17 0.00 2.29 3.02 -1.26 -0.90 115.26 116.48 3d23 n ASN 119 Ca -0.20 -0.57 0.00 0.00 -0.03 0.00 0.00 54.58 53.79 3d23 n ASN 119 Cb 0.51 -4.86 0.00 0.00 -0.61 0.00 0.00 39.78 34.82 3d23 n ASN 119 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 3d23 n GLY 120 N -1.96 1.99 3.30 7.41 0.00 -1.25 -4.57 105.19 110.11 3d23 n GLY 120 Ca 0.01 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.65 3d23 n GLY 120 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 3d23 s ARG 121 N -0.05 2.74 0.38 1.61 3.52 -0.07 -4.38 118.95 122.70 3d23 s ARG 121 Ca 0.00 -1.10 -0.27 0.00 -0.13 0.00 0.00 55.73 54.23 3d23 s ARG 121 Cb 0.00 -3.47 -0.11 0.00 -1.56 0.00 0.00 34.95 29.81 3d23 s ARG 121 CO 0.00 -0.62 1.30 -2.30 -0.81 0.00 0.00 175.30 172.87 3d23 n PRO 122 N 4.84 2.09 -0.05 5.12 -0.02 -1.26 -1.58 135.00 144.14 3d23 n PRO 122 Ca -0.13 0.74 -0.10 0.00 -2.02 0.00 0.00 63.50 61.98 3d23 n PRO 122 Cb 0.45 -2.39 -0.04 0.00 -0.02 0.00 0.00 33.50 31.51 3d23 n PRO 122 CO 0.00 0.00 0.00 0.94 1.98 0.00 0.00 175.50 178.42 3d23 n GLN 123 N 0.30 0.24 -3.61 -0.52 7.27 0.16 -4.89 117.38 116.32 3d23 n GLN 123 Ca 0.05 0.09 -0.02 0.00 0.07 0.00 0.00 57.00 57.19 3d23 n GLN 123 Cb 0.38 -0.97 -0.01 0.00 2.41 0.00 0.00 30.24 32.05 3d23 n GLN 123 CO 0.00 0.00 0.00 0.20 0.07 0.00 0.00 177.06 177.33 3d23 s GLY 124 N -5.14 -0.35 0.16 1.69 0.00 -1.20 -5.02 107.32 97.46 3d23 s GLY 124 Ca -0.15 0.99 0.10 0.00 0.00 0.00 0.00 44.72 45.66 3d23 s GLY 124 CO 0.20 0.28 -0.21 0.00 0.00 0.00 0.00 173.10 173.37 3d23 s ALA 125 N -2.62 2.17 0.01 3.20 0.00 -1.26 -0.83 121.76 122.44 3d23 s ALA 125 Ca 0.11 -1.50 -0.16 0.00 0.00 0.00 0.00 51.96 50.41 3d23 s ALA 125 Cb 0.01 -0.25 0.03 0.00 0.00 0.00 0.00 23.12 22.91 3d23 s ALA 125 CO -0.04 0.34 0.35 -0.59 0.00 0.00 0.00 175.76 175.82 3d23 s PHE 126 N -1.74 -0.20 0.15 0.00 -0.71 -0.88 -4.97 117.98 109.63 3d23 s PHE 126 Ca 0.16 0.23 -0.30 0.00 -1.04 0.00 0.00 56.93 55.98 3d23 s PHE 126 Cb -0.07 0.14 -0.07 0.00 -1.21 0.00 0.00 43.02 41.81 3d23 s PHE 126 CO 0.07 -0.47 1.03 -1.58 -1.34 0.00 0.00 175.22 172.93 3d23 s HIS 127 N -1.89 3.71 0.04 3.49 5.65 -1.26 -0.76 115.29 124.26 3d23 s HIS 127 Ca -0.09 1.70 -0.02 0.00 0.25 0.00 0.00 55.06 56.90 3d23 s HIS 127 Cb -0.03 -3.16 -0.03 0.00 -1.18 0.00 0.00 32.58 28.18 3d23 s HIS 127 CO 0.01 -0.19 0.00 0.14 -0.65 0.00 0.00 174.74 174.05 3d23 s VAL 128 N -0.18 0.16 -0.20 0.89 -7.23 -0.15 -4.96 120.40 108.73 3d23 s VAL 128 Ca 0.48 -1.34 -0.05 0.00 -1.81 0.00 0.00 61.98 59.26 3d23 s VAL 128 Cb -0.27 -0.96 -0.02 0.00 0.56 0.00 0.00 36.38 35.69 3d23 s VAL 128 CO 0.32 -0.74 -0.01 -0.89 -0.31 0.00 0.00 175.10 173.47 3d23 s THR 129 N -2.81 3.87 0.12 5.32 2.01 -1.26 -1.36 115.64 121.52 3d23 s THR 129 Ca -0.03 -0.35 -0.31 0.00 0.31 0.00 0.00 61.69 61.31 3d23 s THR 129 Cb -0.00 -2.74 -0.10 0.00 0.01 0.00 0.00 72.50 69.67 3d23 s THR 129 CO -0.06 0.44 1.77 -0.32 -0.69 0.00 0.00 174.62 175.76 3d23 s MET 130 N 0.96 4.15 0.54 4.92 1.75 0.10 -4.56 119.30 127.16 3d23 s MET 130 Ca 0.01 2.53 -0.06 0.00 -1.25 0.00 0.00 55.69 56.92 3d23 s MET 130 Cb -0.14 -3.54 -0.01 0.00 2.84 0.00 0.00 34.83 33.97 3d23 s MET 130 CO 0.02 -0.80 0.85 1.03 -0.65 0.00 0.00 175.02 175.46 3d23 s ARG 131 N 2.55 3.20 0.53 4.11 1.81 0.11 0.25 118.95 131.51 3d23 s ARG 131 Ca 0.78 0.08 0.24 0.00 -1.72 0.00 0.00 55.73 55.12 3d23 s ARG 131 Cb -0.45 -2.32 1.37 0.00 -0.45 0.00 0.00 34.95 33.11 3d23 s ARG 131 CO 0.35 -0.48 2.02 0.77 -0.68 0.00 0.00 175.30 177.28 3d23 h SER 132 N 0.00 0.00 0.41 0.23 0.02 -1.87 0.11 113.55 112.45 3d23 h SER 132 Ca -0.46 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.49 3d23 h SER 132 Cb 1.23 -0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.77 3d23 h SER 132 CO 0.61 0.00 0.00 -1.54 -1.14 0.00 0.00 176.83 174.76 3d23 n SER 133 N -4.40 0.00 -1.86 3.07 3.41 -1.26 -4.85 113.62 107.74 3d23 n SER 133 Ca 0.08 0.23 -0.13 0.00 -0.26 0.00 0.00 58.87 58.79 3d23 n SER 133 Cb 0.52 -0.37 0.02 0.00 -0.26 0.00 0.00 64.21 64.12 3d23 n SER 133 CO 0.00 0.00 0.00 -1.22 -0.16 0.00 0.00 175.04 173.66 3d23 n TYR 134 N -1.37 -1.11 -4.44 7.33 4.02 0.39 -4.52 117.16 117.45 3d23 n TYR 134 Ca 0.06 0.27 -0.22 0.00 -0.01 0.00 0.00 57.90 58.01 3d23 n TYR 134 Cb 0.15 -3.09 -0.10 0.00 -0.02 0.00 0.00 39.34 36.28 3d23 n TYR 134 CO 0.00 0.00 0.00 0.95 -1.01 0.00 0.00 176.86 176.80 3d23 s THR 135 N -2.88 1.60 0.20 -0.72 -4.23 -1.26 -4.56 115.64 103.79 3d23 s THR 135 Ca 0.16 -2.10 0.08 0.00 -1.18 0.00 0.00 61.69 58.64 3d23 s THR 135 Cb -0.07 -2.52 -0.05 0.00 1.34 0.00 0.00 72.50 71.20 3d23 s THR 135 CO 0.19 -0.24 -0.15 0.27 -0.54 0.00 0.00 174.62 174.15 3d23 s ILE 136 N -3.04 1.72 -0.74 2.99 -4.36 0.15 -0.72 121.20 117.20 3d23 s ILE 136 Ca 0.31 -2.16 -0.12 0.00 -0.26 0.00 0.00 60.65 58.42 3d23 s ILE 136 Cb 0.05 -2.00 0.19 0.00 1.25 0.00 0.00 42.46 41.95 3d23 s ILE 136 CO 0.13 -0.57 0.66 -0.54 0.24 0.00 0.00 174.94 174.86 3d23 s LYS 137 N -3.52 3.29 0.00 0.37 3.01 -1.26 -0.48 119.74 121.14 3d23 s LYS 137 Ca 0.21 -2.36 0.00 0.00 -1.01 0.00 0.00 55.97 52.81 3d23 s LYS 137 Cb -0.01 -4.26 0.00 0.00 -1.01 0.00 0.00 37.83 32.54 3d23 s LYS 137 CO 0.06 -1.27 0.00 0.41 0.51 0.00 0.00 175.35 175.07 3d23 n GLY 138 N 4.06 4.95 2.73 -3.33 0.00 -1.26 -4.92 105.19 107.42 3d23 n GLY 138 Ca 0.09 -1.95 -0.19 0.00 0.00 0.00 0.00 46.02 43.97 3d23 n GLY 138 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 3d23 s SER 139 N 0.30 1.63 -0.04 1.61 0.15 -1.26 -4.88 113.70 111.21 3d23 s SER 139 Ca 0.00 -1.27 0.00 0.00 0.70 0.00 0.00 55.95 55.38 3d23 s SER 139 Cb 0.00 0.42 0.03 0.00 -1.71 0.00 0.00 66.02 64.76 3d23 s SER 139 CO 0.00 -0.33 -0.01 -0.36 1.20 0.00 0.00 173.24 173.74 3d23 s PHE 140 N 1.82 0.50 0.25 3.44 0.08 -1.26 -5.01 117.98 117.80 3d23 s PHE 140 Ca 0.13 -0.08 0.02 0.00 0.12 0.00 0.00 56.93 57.12 3d23 s PHE 140 Cb -0.15 -0.56 0.05 0.00 -0.57 0.00 0.00 43.02 41.78 3d23 s PHE 140 CO -0.17 -0.19 0.34 1.28 -0.10 0.00 0.00 175.22 176.39 3d23 n LEU 141 N 4.33 0.00 -4.63 -0.37 4.77 -1.26 -5.03 117.00 114.82 3d23 n LEU 141 Ca -0.22 -0.92 -0.47 0.00 -0.03 0.00 0.00 56.01 54.37 3d23 n LEU 141 Cb 0.50 -0.20 -0.03 0.00 -2.33 0.00 0.00 43.42 41.36 3d23 n LEU 141 CO 0.20 -0.62 0.88 0.00 -1.33 0.00 0.00 177.39 176.52 3d23 n GLY 143 N 2.17 0.69 0.06 0.00 0.00 -1.26 -4.95 105.19 101.90 3d23 n GLY 143 Ca 0.14 0.00 0.13 0.00 0.00 0.00 0.00 46.02 46.29 3d23 n GLY 143 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 3d23 n SER 144 N 0.00 0.41 -4.76 1.61 3.41 -1.07 -4.21 113.62 109.00 3d23 n SER 144 Ca 0.00 -0.23 -0.38 0.00 -0.26 0.00 0.00 58.87 58.01 3d23 n SER 144 Cb 0.00 -0.05 0.00 0.00 -0.26 0.00 0.00 64.21 63.90 3d23 n SER 144 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3d23 n GLY 146 N 0.57 2.95 3.50 0.00 0.00 0.31 -1.51 105.19 111.02 3d23 n GLY 146 Ca 0.07 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.67 3d23 n GLY 146 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 3d23 n SER 147 N 0.00 -0.22 -4.45 1.61 7.64 -0.61 -4.59 113.62 113.00 3d23 n SER 147 Ca 0.00 0.98 -0.33 0.00 1.01 0.00 0.00 58.87 60.54 3d23 n SER 147 Cb 0.00 -1.17 -0.13 0.00 -1.01 0.00 0.00 64.21 61.89 3d23 n SER 147 CO 0.00 0.00 0.00 0.68 -3.01 0.00 0.00 175.04 172.71 3d23 s VAL 148 N -1.35 2.93 -0.09 0.44 -7.23 -1.18 -0.98 120.40 112.94 3d23 s VAL 148 Ca 0.63 -0.77 -0.02 0.00 -1.81 0.00 0.00 61.98 60.01 3d23 s VAL 148 Cb -0.63 -2.14 -0.03 0.00 0.56 0.00 0.00 36.38 34.15 3d23 s VAL 148 CO 0.58 0.59 -0.02 -0.83 -0.31 0.00 0.00 175.10 175.11 3d23 s GLY 149 N -0.71 1.79 0.20 2.32 0.00 -0.15 0.08 107.32 110.85 3d23 s GLY 149 Ca 0.11 -0.83 -0.10 0.00 0.00 0.00 0.00 44.72 43.90 3d23 s GLY 149 CO 0.00 -0.50 0.35 -2.52 0.00 0.00 0.00 173.10 170.44 3d23 s TYR 150 N -0.63 0.41 -0.04 1.90 1.13 0.45 -1.37 117.35 119.20 3d23 s TYR 150 Ca 0.10 -0.76 0.05 0.00 -1.41 0.00 0.00 57.07 55.05 3d23 s TYR 150 Cb -0.12 0.02 -0.00 0.00 -1.10 0.00 0.00 41.96 40.75 3d23 s TYR 150 CO 0.02 -0.82 -0.18 0.08 -2.51 0.00 0.00 175.55 172.14 3d23 s VAL 151 N -3.99 1.48 0.85 -3.49 1.01 0.84 -1.59 120.40 115.50 3d23 s VAL 151 Ca 0.20 -0.75 -0.11 0.00 0.00 0.00 0.00 61.98 61.33 3d23 s VAL 151 Cb 0.02 -1.26 0.14 0.00 0.00 0.00 0.00 36.38 35.28 3d23 s VAL 151 CO 0.04 0.42 1.18 -0.76 0.00 0.00 0.00 175.10 175.98 3d23 s LEU 152 N -0.01 2.76 -0.36 3.92 1.02 -1.26 -0.68 118.68 124.07 3d23 s LEU 152 Ca -0.03 0.24 0.04 0.00 0.02 0.00 0.00 54.13 54.40 3d23 s LEU 152 Cb -0.11 -2.51 0.28 0.00 0.02 0.00 0.00 46.19 43.87 3d23 s LEU 152 CO 0.02 -2.25 1.27 0.41 0.02 0.00 0.00 176.35 175.82 3d23 n THR 153 N -3.37 0.00 0.00 5.49 -1.04 -1.08 -4.88 114.28 109.40 3d23 n THR 153 Ca 0.13 -0.90 0.00 0.00 -2.04 0.00 0.00 64.05 61.23 3d23 n THR 153 Cb 0.60 1.06 0.00 0.00 -1.82 0.00 0.00 70.33 70.17 3d23 n THR 153 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 3d23 n GLY 154 N 0.16 0.36 0.09 3.41 0.00 -1.26 -2.58 105.19 105.36 3d23 n GLY 154 Ca -0.08 0.62 -0.04 0.00 0.00 0.00 0.00 46.02 46.53 3d23 n GLY 154 CO 0.00 0.00 0.00 1.29 0.00 0.00 0.00 173.32 174.61 3d23 h ASP 155 N 0.00 0.00 -2.72 1.61 -0.00 -1.98 -3.47 116.42 109.86 3d23 h ASP 155 Ca 0.00 0.00 -0.66 0.00 -0.00 0.00 0.00 57.03 56.37 3d23 h ASP 155 Cb 0.00 0.00 -0.07 0.00 -0.00 0.00 0.00 39.33 39.26 3d23 h ASP 155 CO 0.00 0.81 -0.43 -0.55 -0.00 0.00 0.00 179.24 179.07 3d23 s SER 156 N -6.35 6.47 -0.21 4.15 0.15 -1.07 -4.59 113.70 112.27 3d23 s SER 156 Ca -0.00 0.56 -0.07 0.00 0.70 0.00 0.00 55.95 57.14 3d23 s SER 156 Cb 0.09 -2.10 -0.04 0.00 -1.71 0.00 0.00 66.02 62.26 3d23 s SER 156 CO 0.80 0.39 0.06 -0.69 1.20 0.00 0.00 173.24 175.00 3d23 s VAL 157 N -1.05 4.56 -0.27 4.45 1.01 -0.30 -2.64 120.40 126.15 3d23 s VAL 157 Ca 0.17 -0.11 -0.09 0.00 0.00 0.00 0.00 61.98 61.96 3d23 s VAL 157 Cb -0.13 -3.08 -0.03 0.00 0.00 0.00 0.00 36.38 33.14 3d23 s VAL 157 CO 0.06 0.41 0.12 -0.75 0.00 0.00 0.00 175.10 174.94 3d23 s LYS 158 N 0.85 3.64 -0.10 2.72 2.20 0.14 -0.73 119.74 128.47 3d23 s LYS 158 Ca 0.03 -0.50 -0.17 0.00 -0.36 0.00 0.00 55.97 54.98 3d23 s LYS 158 Cb -0.14 -3.46 -0.05 0.00 -1.51 0.00 0.00 37.83 32.68 3d23 s LYS 158 CO 0.02 -0.24 0.43 -0.06 -0.36 0.00 0.00 175.35 175.14 3d23 s PHE 159 N 1.65 3.56 0.00 4.03 0.08 -0.28 -0.11 117.98 126.91 3d23 s PHE 159 Ca 0.06 0.87 0.00 0.00 0.12 0.00 0.00 56.93 57.98 3d23 s PHE 159 Cb -0.16 -2.45 0.00 0.00 -0.57 0.00 0.00 43.02 39.84 3d23 s PHE 159 CO 0.06 0.30 0.00 1.33 -0.10 0.00 0.00 175.22 176.81 3d23 n VAL 160 N 3.20 0.00 -3.71 -0.44 0.24 -0.47 -1.49 118.33 115.66 3d23 n VAL 160 Ca -0.10 -0.08 -0.14 0.00 -2.04 0.00 0.00 64.34 61.99 3d23 n VAL 160 Cb 0.52 0.74 -0.09 0.00 -1.47 0.00 0.00 33.84 33.54 3d23 n VAL 160 CO 0.00 0.00 0.00 -0.47 -2.14 0.00 0.00 176.83 174.22 3d23 s TYR 161 N -0.29 -0.43 -0.10 6.34 5.04 -0.96 -4.43 117.35 122.52 3d23 s TYR 161 Ca 0.00 0.97 0.01 0.00 -2.44 0.00 0.00 57.07 55.60 3d23 s TYR 161 Cb 0.00 0.17 0.02 0.00 0.35 0.00 0.00 41.96 42.50 3d23 s TYR 161 CO 0.00 -0.31 -0.10 1.41 -1.34 0.00 0.00 175.55 175.22 3d23 s MET 162 N -0.27 1.62 0.01 4.97 -2.45 0.33 -0.97 119.30 122.53 3d23 s MET 162 Ca -0.04 -0.32 -0.30 0.00 -1.25 0.00 0.00 55.69 53.77 3d23 s MET 162 Cb -0.03 -1.54 -0.05 0.00 1.25 0.00 0.00 34.83 34.46 3d23 s MET 162 CO 0.02 -0.16 1.20 -1.58 1.05 0.00 0.00 175.02 175.55 3d23 s HIS 163 N 1.31 3.33 0.00 4.11 2.46 -0.16 -1.22 115.29 125.12 3d23 s HIS 163 Ca -0.02 1.27 0.00 0.00 0.47 0.00 0.00 55.06 56.77 3d23 s HIS 163 Cb -0.14 -3.42 0.00 0.00 -0.13 0.00 0.00 32.58 28.90 3d23 s HIS 163 CO -0.04 -1.28 0.00 1.04 -2.47 0.00 0.00 174.74 171.99 3d23 n GLN 164 N 4.47 0.28 -3.82 2.88 6.02 -1.12 -0.53 117.38 125.56 3d23 n GLN 164 Ca 0.10 0.00 -0.13 0.00 -0.01 0.00 0.00 57.00 56.96 3d23 n GLN 164 Cb 0.46 -0.76 -0.14 0.00 1.02 0.00 0.00 30.24 30.82 3d23 n GLN 164 CO 0.00 0.00 0.00 -1.17 -1.01 0.00 0.00 177.06 174.88 3d23 s LEU 165 N -3.85 1.53 -0.27 1.08 2.96 -0.43 -4.93 118.68 114.77 3d23 s LEU 165 Ca 0.00 0.10 -0.05 0.00 -0.22 0.00 0.00 54.13 53.96 3d23 s LEU 165 Cb 0.00 0.13 0.01 0.00 0.50 0.00 0.00 46.19 46.82 3d23 s LEU 165 CO 0.00 -0.06 0.03 -0.70 -1.32 0.00 0.00 176.35 174.31 3d23 s GLU 166 N 0.39 3.13 0.16 1.98 2.12 -1.26 -0.97 118.70 124.24 3d23 s GLU 166 Ca -0.03 -0.82 -0.08 0.00 0.36 0.00 0.00 54.97 54.41 3d23 s GLU 166 Cb -0.04 -3.24 0.00 0.00 0.26 0.00 0.00 34.13 31.10 3d23 s GLU 166 CO -0.01 -0.38 1.45 -0.07 -0.54 0.00 0.00 175.26 175.70 3d23 h LEU 167 N 8.17 0.81 -7.07 2.70 -0.00 -0.96 -3.48 115.31 115.49 3d23 h LEU 167 Ca -0.34 -0.44 0.22 0.00 -0.00 0.00 0.00 57.88 57.33 3d23 h LEU 167 Cb 1.13 -0.23 -0.16 0.00 -0.00 0.00 0.00 40.66 41.39 3d23 h LEU 167 CO 0.60 1.20 0.72 -0.94 -0.00 0.00 0.00 178.44 180.02 3d23 s SER 168 N -6.95 -0.18 -0.50 -0.43 1.04 -1.24 -4.91 113.70 100.53 3d23 s SER 168 Ca -0.09 -0.04 -0.44 0.00 0.48 0.00 0.00 55.95 55.86 3d23 s SER 168 Cb 0.11 0.22 -0.19 0.00 0.10 0.00 0.00 66.02 66.26 3d23 s SER 168 CO 0.87 -0.37 2.15 0.41 0.98 0.00 0.00 173.24 177.28 3d23 n THR 169 N -0.20 0.00 -1.02 2.02 -1.04 -1.26 0.22 114.28 113.01 3d23 n THR 169 Ca -0.03 -0.01 -0.01 0.00 -2.04 0.00 0.00 64.05 61.96 3d23 n THR 169 Cb 0.60 -0.53 -0.00 0.00 -1.82 0.00 0.00 70.33 68.57 3d23 n THR 169 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 3d23 n GLY 170 N 7.46 0.45 2.98 3.41 0.00 -1.26 -5.04 105.19 113.20 3d23 n GLY 170 Ca 0.55 -0.79 -0.30 0.00 0.00 0.00 0.00 46.02 45.48 3d23 n GLY 170 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3d23 s HIS 172 N 1.47 1.69 0.27 0.00 0.09 0.37 -0.22 115.29 118.96 3d23 s HIS 172 Ca 0.01 -0.43 -0.16 0.00 -0.00 0.00 0.00 55.06 54.48 3d23 s HIS 172 Cb -0.15 -0.92 0.01 0.00 -0.00 0.00 0.00 32.58 31.52 3d23 s HIS 172 CO -0.09 0.19 0.58 -0.08 -0.00 0.00 0.00 174.74 175.34 3d23 s THR 173 N -1.28 0.00 0.00 1.30 -1.32 -0.14 0.33 115.64 114.53 3d23 s THR 173 Ca 0.06 -1.25 0.00 0.00 -1.21 0.00 0.00 61.69 59.29 3d23 s THR 173 Cb -0.10 -2.18 0.00 0.00 -1.51 0.00 0.00 72.50 68.72 3d23 s THR 173 CO 0.04 0.00 0.00 0.61 -2.21 0.00 0.00 174.62 173.06 3d23 n GLY 174 N -0.42 1.12 3.62 6.08 0.00 -1.26 -1.31 105.19 113.02 3d23 n GLY 174 Ca -0.03 -0.71 -0.24 0.00 0.00 0.00 0.00 46.02 45.04 3d23 n GLY 174 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 3d23 s THR 175 N -2.26 2.73 0.00 2.61 -4.23 -0.36 -1.54 115.64 112.60 3d23 s THR 175 Ca 0.00 -1.99 0.00 0.00 -1.18 0.00 0.00 61.69 58.52 3d23 s THR 175 Cb 0.00 -2.77 0.00 0.00 1.34 0.00 0.00 72.50 71.07 3d23 s THR 175 CO 0.00 -0.24 0.00 -0.90 -0.54 0.00 0.00 174.62 172.94 3d23 n ASP 176 N -0.93 0.00 -0.86 3.99 5.68 -0.63 -0.52 116.55 123.28 3d23 n ASP 176 Ca -0.04 -0.99 0.07 0.00 -0.50 0.00 0.00 54.79 53.33 3d23 n ASP 176 Cb 0.62 0.00 0.21 0.00 -1.14 0.00 0.00 41.12 40.80 3d23 n ASP 176 CO 0.00 0.00 0.00 0.49 -1.33 0.00 0.00 177.20 176.36 3d23 n PHE 177 N -1.64 0.63 1.19 2.11 3.72 -1.26 -1.68 117.46 120.53 3d23 n PHE 177 Ca 0.00 -0.31 0.13 0.00 -0.05 0.00 0.00 57.45 57.21 3d23 n PHE 177 Cb 0.00 -0.00 0.26 0.00 -0.94 0.00 0.00 39.48 38.80 3d23 n PHE 177 CO 0.00 0.00 0.00 0.25 -0.05 0.00 0.00 176.76 176.96 3d23 n THR 178 N 0.86 0.00 -0.42 4.37 -2.24 -1.26 -4.94 114.28 110.65 3d23 n THR 178 Ca 0.16 -0.25 0.00 0.00 -2.27 0.00 0.00 64.05 61.68 3d23 n THR 178 Cb 0.40 0.84 0.00 0.00 -2.10 0.00 0.00 70.33 69.46 3d23 n THR 178 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3d23 n GLY 179 N 1.33 0.76 3.43 3.38 0.00 -0.68 -4.33 105.19 109.08 3d23 n GLY 179 Ca 0.13 -0.31 -0.37 0.00 0.00 0.00 0.00 46.02 45.47 3d23 n GLY 179 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 3d23 s ASN 180 N -2.29 5.28 0.47 1.61 3.84 -1.25 0.78 114.94 123.39 3d23 s ASN 180 Ca 0.00 -0.38 -0.23 0.00 0.21 0.00 0.00 52.86 52.46 3d23 s ASN 180 Cb 0.00 -1.95 -0.09 0.00 -0.55 0.00 0.00 41.25 38.67 3d23 s ASN 180 CO 0.00 -0.11 1.12 0.49 -2.79 0.00 0.00 177.10 175.81 3d23 n PHE 181 N 4.94 1.52 -2.68 0.43 3.01 -1.26 -1.61 117.46 121.81 3d23 n PHE 181 Ca -0.15 0.50 -0.35 0.00 1.01 0.00 0.00 57.45 58.46 3d23 n PHE 181 Cb 0.50 -2.27 -0.05 0.00 -0.01 0.00 0.00 39.48 37.65 3d23 n PHE 181 CO 0.00 0.00 0.00 0.71 1.01 0.00 0.00 176.76 178.48 3d23 s TYR 182 N -1.30 3.28 0.00 1.38 2.02 -0.59 -4.85 117.35 117.29 3d23 s TYR 182 Ca 0.66 1.64 0.00 0.00 -0.37 0.00 0.00 57.07 59.00 3d23 s TYR 182 Cb -0.50 -2.98 0.00 0.00 -0.40 0.00 0.00 41.96 38.08 3d23 s TYR 182 CO 0.54 -0.36 0.00 0.41 -1.57 0.00 0.00 175.55 174.57 3d23 n GLY 183 N -0.11 0.95 0.96 0.71 0.00 -1.26 -3.60 105.19 102.84 3d23 n GLY 183 Ca 0.06 -0.73 0.10 0.00 0.00 0.00 0.00 46.02 45.45 3d23 n GLY 183 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 3d23 n PRO 184 N 0.00 2.23 -1.35 1.61 -0.04 -1.26 -4.96 135.00 131.23 3d23 n PRO 184 Ca 0.00 -1.89 -0.29 0.00 -0.04 0.00 0.00 63.50 61.28 3d23 n PRO 184 Cb 0.00 -1.45 0.17 0.00 -0.04 0.00 0.00 33.50 32.19 3d23 n PRO 184 CO 0.00 0.00 0.00 0.71 -0.04 0.00 0.00 175.50 176.17 3d23 s TYR 185 N -1.43 1.97 0.21 0.54 2.02 -1.24 -5.08 117.35 114.33 3d23 s TYR 185 Ca 0.37 0.80 -0.18 0.00 -0.37 0.00 0.00 57.07 57.69 3d23 s TYR 185 Cb 0.20 -3.40 0.03 0.00 -0.40 0.00 0.00 41.96 38.39 3d23 s TYR 185 CO 0.27 -2.85 0.55 -0.98 -1.57 0.00 0.00 175.55 170.97 3d23 s ARG 186 N -5.22 1.43 -1.40 -0.62 1.70 -1.26 -4.72 118.95 108.86 3d23 s ARG 186 Ca 0.66 -0.88 -0.11 0.00 -0.47 0.00 0.00 55.73 54.94 3d23 s ARG 186 Cb -0.15 0.53 0.08 0.00 -0.57 0.00 0.00 34.95 34.85 3d23 s ARG 186 CO 0.55 -0.61 2.18 -0.40 -1.08 0.00 0.00 175.30 175.94 3d23 n ASP 187 N -0.36 5.19 -3.94 -2.89 5.75 -1.26 -4.88 116.55 114.16 3d23 n ASP 187 Ca -0.09 -2.95 -0.10 0.00 -0.01 0.00 0.00 54.79 51.64 3d23 n ASP 187 Cb 0.62 -1.55 -0.11 0.00 -1.03 0.00 0.00 41.12 39.05 3d23 n ASP 187 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 3d23 s ALA 188 N 1.62 0.00 -1.20 2.12 0.00 -1.26 -4.78 121.76 118.25 3d23 s ALA 188 Ca 0.47 -0.41 -0.07 0.00 0.00 0.00 0.00 51.96 51.95 3d23 s ALA 188 Cb 0.13 0.11 0.22 0.00 0.00 0.00 0.00 23.12 23.59 3d23 s ALA 188 CO -0.05 -0.15 1.71 1.04 0.00 0.00 0.00 175.76 178.31 3d23 n GLN 189 N 1.76 3.94 -4.39 0.00 6.02 -0.94 -4.89 117.38 118.87 3d23 n GLN 189 Ca -0.22 -3.93 -0.21 0.00 -0.01 0.00 0.00 57.00 52.63 3d23 n GLN 189 Cb 0.56 -2.77 -0.09 0.00 1.02 0.00 0.00 30.24 28.96 3d23 n GLN 189 CO 0.00 0.00 0.00 0.14 -1.01 0.00 0.00 177.06 176.19 3d23 s VAL 190 N -0.80 0.46 -0.02 5.09 -7.23 -1.26 -4.68 120.40 111.96 3d23 s VAL 190 Ca 0.36 -2.00 -0.30 0.00 -1.81 0.00 0.00 61.98 58.24 3d23 s VAL 190 Cb 0.07 -2.49 -0.07 0.00 0.56 0.00 0.00 36.38 34.46 3d23 s VAL 190 CO 0.04 0.00 1.83 -0.69 -0.31 0.00 0.00 175.10 175.98 3d23 s VAL 191 N -3.45 3.28 -0.28 1.32 1.01 -1.26 -4.94 120.40 116.08 3d23 s VAL 191 Ca 0.32 0.34 -0.01 0.00 0.00 0.00 0.00 61.98 62.63 3d23 s VAL 191 Cb 0.04 -3.22 0.09 0.00 0.00 0.00 0.00 36.38 33.29 3d23 s VAL 191 CO 0.17 -0.04 0.08 -1.10 0.00 0.00 0.00 175.10 174.21 3d23 s GLN 192 N 4.36 0.73 -0.16 2.72 -0.21 -1.26 -5.12 119.66 120.73 3d23 s GLN 192 Ca 0.82 -0.93 -0.26 0.00 0.02 0.00 0.00 55.36 55.00 3d23 s GLN 192 Cb -0.38 -2.01 -0.01 0.00 1.00 0.00 0.00 33.01 31.61 3d23 s GLN 192 CO 0.36 -0.91 0.88 -0.48 -2.12 0.00 0.00 175.29 173.03 3d23 s LEU 193 N 1.66 4.19 0.19 2.90 -0.00 -1.26 -4.93 118.68 121.43 3d23 s LEU 193 Ca 0.07 1.27 -0.30 0.00 -0.00 0.00 0.00 54.13 55.17 3d23 s LEU 193 Cb -0.17 -3.33 -0.09 0.00 -0.00 0.00 0.00 46.19 42.60 3d23 s LEU 193 CO -0.22 -0.43 1.36 -2.84 -0.00 0.00 0.00 176.35 174.22 3d23 s PRO 194 N 2.18 4.35 0.28 1.48 0.02 -1.26 -4.97 135.00 137.08 3d23 s PRO 194 Ca 0.41 2.12 -0.22 0.00 0.02 0.00 0.00 61.00 63.33 3d23 s PRO 194 Cb -0.17 -3.18 -0.15 0.00 0.02 0.00 0.00 34.50 31.02 3d23 s PRO 194 CO 0.13 -0.33 0.25 0.28 -0.33 0.00 0.00 177.00 177.01 3d23 n VAL 195 N 2.82 1.13 -1.81 3.83 0.31 -1.26 -4.89 118.33 118.44 3d23 n VAL 195 Ca 0.07 -0.45 -0.37 0.00 -0.01 0.00 0.00 64.34 63.58 3d23 n VAL 195 Cb 0.42 0.00 0.06 0.00 -0.91 0.00 0.00 33.84 33.41 3d23 n VAL 195 CO 0.00 0.00 0.00 -0.75 -1.32 0.00 0.00 176.83 174.76 3d23 s LYS 196 N -0.91 2.74 -0.11 5.55 2.20 -1.26 -4.52 119.74 123.44 3d23 s LYS 196 Ca 0.56 2.04 0.03 0.00 -0.36 0.00 0.00 55.97 58.24 3d23 s LYS 196 Cb -0.70 -1.93 -0.00 0.00 -1.51 0.00 0.00 37.83 33.70 3d23 s LYS 196 CO 0.54 -1.45 -0.23 0.34 -0.36 0.00 0.00 175.35 174.20 3d23 s ASP 197 N -1.37 3.17 0.12 1.43 2.15 -1.26 -4.04 116.67 116.87 3d23 s ASP 197 Ca 0.80 -0.55 0.01 0.00 0.43 0.00 0.00 52.55 53.24 3d23 s ASP 197 Cb -0.36 -1.43 -0.04 0.00 -0.30 0.00 0.00 42.92 40.79 3d23 s ASP 197 CO 0.39 0.15 0.27 -0.31 -0.17 0.00 0.00 175.17 175.50 3d23 s TYR 198 N 0.39 3.50 0.21 -5.34 2.02 -1.26 -4.95 117.35 111.93 3d23 s TYR 198 Ca -0.17 0.19 -0.30 0.00 -0.37 0.00 0.00 57.07 56.42 3d23 s TYR 198 Cb -0.18 -1.72 -0.10 0.00 -0.40 0.00 0.00 41.96 39.56 3d23 s TYR 198 CO 0.08 0.53 1.46 0.08 -1.57 0.00 0.00 175.55 176.12 3d23 s VAL 199 N -1.67 2.74 -0.45 0.71 1.01 -0.53 -4.62 120.40 117.59 3d23 s VAL 199 Ca 0.35 0.59 -0.27 0.00 0.00 0.00 0.00 61.98 62.65 3d23 s VAL 199 Cb -0.12 -3.37 0.03 0.00 0.00 0.00 0.00 36.38 32.91 3d23 s VAL 199 CO 0.28 0.08 0.99 -1.10 0.00 0.00 0.00 175.10 175.35 3d23 s GLN 200 N 0.14 3.66 -0.06 2.72 -1.52 -1.26 -1.27 119.66 122.06 3d23 s GLN 200 Ca 0.62 0.38 -0.22 0.00 -1.95 0.00 0.00 55.36 54.19 3d23 s GLN 200 Cb -0.42 -3.89 -0.17 0.00 -0.22 0.00 0.00 33.01 28.31 3d23 s GLN 200 CO 0.39 -1.22 0.88 1.15 -0.25 0.00 0.00 175.29 176.24 3d23 h THR 201 N 6.07 0.99 -0.63 -0.19 2.02 -1.89 -2.43 112.91 116.86 3d23 h THR 201 Ca -0.23 -1.26 0.14 0.00 0.77 0.00 0.00 66.41 65.82 3d23 h THR 201 Cb 1.07 1.68 -0.04 0.00 -1.74 0.00 0.00 68.15 69.13 3d23 h THR 201 CO 1.05 0.26 0.43 -0.37 0.37 0.00 0.00 175.52 177.26 3d23 h VAL 202 N -0.84 0.80 -0.36 3.16 -1.51 -1.89 -0.95 116.25 114.66 3d23 h VAL 202 Ca -0.02 -0.09 -0.13 0.00 -1.23 0.00 0.00 66.70 65.23 3d23 h VAL 202 Cb 0.56 0.52 -0.01 0.00 -2.13 0.00 0.00 31.29 30.23 3d23 h VAL 202 CO 0.03 0.05 -0.29 0.78 -1.23 0.00 0.00 177.57 176.90 3d23 h ASN 203 N 0.26 0.89 -0.90 4.19 4.21 -1.75 -1.39 115.58 121.08 3d23 h ASN 203 Ca 0.30 -0.45 0.02 0.00 1.21 0.00 0.00 56.30 57.38 3d23 h ASN 203 Cb 0.83 -0.25 -0.05 0.00 -1.12 0.00 0.00 38.32 37.73 3d23 h ASN 203 CO -0.07 1.15 0.59 0.58 -1.29 0.00 0.00 177.43 178.39 3d23 h VAL 204 N 0.64 1.20 0.26 2.81 2.07 -0.84 -0.90 116.25 121.49 3d23 h VAL 204 Ca 0.07 -0.41 -0.01 0.00 0.82 0.00 0.00 66.70 67.17 3d23 h VAL 204 Cb 0.87 -0.09 -0.01 0.00 -1.52 0.00 0.00 31.29 30.54 3d23 h VAL 204 CO 0.08 0.22 -0.17 0.40 0.02 0.00 0.00 177.57 178.11 3d23 h ILE 205 N 1.19 0.64 -0.91 4.57 2.04 -0.95 0.67 117.51 124.75 3d23 h ILE 205 Ca 0.34 0.00 0.16 0.00 1.00 0.00 0.00 64.86 66.36 3d23 h ILE 205 Cb -0.09 0.64 -0.10 0.00 -0.74 0.00 0.00 36.82 36.53 3d23 h ILE 205 CO -0.09 0.00 0.51 0.00 0.00 0.00 0.00 178.15 178.57 3d23 h ALA 206 N 0.29 1.43 -0.35 1.87 0.00 -0.96 0.12 119.26 121.66 3d23 h ALA 206 Ca -0.02 0.08 -0.15 0.00 0.00 0.00 0.00 54.91 54.82 3d23 h ALA 206 Cb 0.36 -0.05 -0.01 0.00 0.00 0.00 0.00 17.79 18.09 3d23 h ALA 206 CO 0.02 -0.06 -0.39 2.35 0.00 0.00 0.00 179.25 181.17 3d23 h TRP 207 N 0.69 1.01 -0.83 0.00 7.01 0.03 -0.02 115.95 123.84 3d23 h TRP 207 Ca 0.51 -0.30 0.02 0.00 2.11 0.00 0.00 58.89 61.23 3d23 h TRP 207 Cb 0.74 -0.21 -0.05 0.00 -2.10 0.00 0.00 29.16 27.54 3d23 h TRP 207 CO -0.06 1.10 0.54 -0.07 -2.79 0.00 0.00 178.44 177.16 3d23 h LEU 208 N 0.69 0.91 -1.02 0.65 4.07 0.21 -1.94 115.31 118.89 3d23 h LEU 208 Ca 0.06 -0.01 -0.02 0.00 0.08 0.00 0.00 57.88 57.99 3d23 h LEU 208 Cb 0.96 -0.21 -0.04 0.00 1.08 0.00 0.00 40.66 42.45 3d23 h LEU 208 CO 0.09 0.64 0.45 1.88 -1.08 0.00 0.00 178.44 180.43 3d23 h TYR 209 N 1.08 1.12 -0.65 1.13 0.05 0.07 -0.99 116.97 118.76 3d23 h TYR 209 Ca 0.32 -0.02 -0.02 0.00 0.05 0.00 0.00 58.73 59.06 3d23 h TYR 209 Cb -0.05 -0.36 -0.03 0.00 1.01 0.00 0.00 36.73 37.30 3d23 h TYR 209 CO -0.02 0.77 0.35 0.00 -1.05 0.00 0.00 178.16 178.21 3d23 h ALA 210 N 1.35 0.84 -0.33 3.88 0.00 -0.74 -1.78 119.26 122.48 3d23 h ALA 210 Ca 0.29 -0.11 -0.02 0.00 0.00 0.00 0.00 54.91 55.07 3d23 h ALA 210 Cb 0.02 -0.26 -0.01 0.00 0.00 0.00 0.00 17.79 17.54 3d23 h ALA 210 CO -0.05 0.36 0.13 0.00 0.00 0.00 0.00 179.25 179.70 3d23 h ALA 211 N 1.17 0.43 -0.66 0.00 0.00 -0.56 -1.62 119.26 118.02 3d23 h ALA 211 Ca 0.23 -0.13 -0.04 0.00 0.00 0.00 0.00 54.91 54.97 3d23 h ALA 211 Cb 0.06 -0.13 -0.03 0.00 0.00 0.00 0.00 17.79 17.69 3d23 h ALA 211 CO -0.03 0.03 0.27 0.82 0.00 0.00 0.00 179.25 180.34 3d23 h ILE 212 N 0.39 1.24 -0.27 0.00 2.04 -1.06 -1.19 117.51 118.65 3d23 h ILE 212 Ca 0.11 -0.73 -0.01 0.00 1.00 0.00 0.00 64.86 65.23 3d23 h ILE 212 Cb 0.18 0.49 -0.01 0.00 -0.74 0.00 0.00 36.82 36.74 3d23 h ILE 212 CO -0.01 0.29 0.11 -0.07 0.00 0.00 0.00 178.15 178.47 3d23 h LEU 213 N 0.92 0.33 -0.87 1.44 4.07 -1.15 -1.73 115.31 118.33 3d23 h LEU 213 Ca 0.22 -0.03 0.00 0.00 0.08 0.00 0.00 57.88 58.15 3d23 h LEU 213 Cb 0.19 -0.08 0.00 0.00 1.08 0.00 0.00 40.66 41.85 3d23 h LEU 213 CO -0.02 0.31 0.00 0.59 -1.08 0.00 0.00 178.44 178.24 3d23 n ASN 214 N -4.43 1.28 -1.96 -0.43 4.13 -0.63 -4.91 115.26 108.32 3d23 n ASN 214 Ca 0.01 -1.95 -0.08 0.00 1.68 0.00 0.00 54.58 54.24 3d23 n ASN 214 Cb 0.13 -0.15 0.04 0.00 -1.54 0.00 0.00 39.78 38.25 3d23 n ASN 214 CO 0.00 0.00 0.00 -3.20 0.28 0.00 0.00 177.26 174.34 3d23 n ASN 215 N 0.18 -2.60 -3.56 6.41 5.15 -0.65 -5.02 115.26 115.17 3d23 n ASN 215 Ca 0.09 -0.25 -0.29 0.00 -0.60 0.00 0.00 54.58 53.53 3d23 n ASN 215 Cb 0.21 -2.45 -0.14 0.00 -0.53 0.00 0.00 39.78 36.88 3d23 n ASN 215 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 3d23 n ALA 217 N 4.64 1.90 0.31 0.00 0.00 -1.26 -3.07 120.51 123.02 3d23 n ALA 217 Ca 0.02 -0.98 0.18 0.00 0.00 0.00 0.00 53.44 52.66 3d23 n ALA 217 Cb 0.40 -0.44 0.94 0.00 0.00 0.00 0.00 19.45 20.34 3d23 n ALA 217 CO 0.00 0.00 0.00 0.11 0.00 0.00 0.00 177.50 177.61 3d23 h TRP 218 N 0.00 0.00 -0.00 0.00 5.08 -1.98 0.13 115.95 119.17 3d23 h TRP 218 Ca 0.00 0.00 0.00 0.00 1.08 0.00 0.00 58.89 59.97 3d23 h TRP 218 Cb 1.35 0.00 0.00 0.00 -3.00 0.00 0.00 29.16 27.51 3d23 h TRP 218 CO 0.09 0.00 -0.37 1.97 -1.28 0.00 0.00 178.44 178.85 3d23 n PHE 219 N -3.12 0.00 -2.41 0.12 -1.74 -1.26 -4.78 117.46 104.26 3d23 n PHE 219 Ca -0.01 0.00 -0.43 0.00 -0.56 0.00 0.00 57.45 56.45 3d23 n PHE 219 Cb 0.29 -0.25 -0.02 0.00 1.52 0.00 0.00 39.48 41.02 3d23 n PHE 219 CO 0.00 0.00 0.00 0.08 -0.56 0.00 0.00 176.76 176.28 3d23 s VAL 220 N -2.87 4.24 0.49 1.97 1.01 0.03 -4.73 120.40 120.54 3d23 s VAL 220 Ca 0.15 1.48 0.02 0.00 0.00 0.00 0.00 61.98 63.63 3d23 s VAL 220 Cb 0.18 -4.01 -0.02 0.00 0.00 0.00 0.00 36.38 32.53 3d23 s VAL 220 CO 0.63 -0.19 0.02 -1.10 0.00 0.00 0.00 175.10 174.47 3d23 s GLN 221 N 3.63 2.14 0.14 2.72 -0.21 -1.26 -5.03 119.66 121.78 3d23 s GLN 221 Ca 0.55 -2.35 0.20 0.00 0.02 0.00 0.00 55.36 53.78 3d23 s GLN 221 Cb -0.21 -1.39 0.82 0.00 1.00 0.00 0.00 33.01 33.23 3d23 s GLN 221 CO 0.16 -0.36 1.61 0.27 -2.12 0.00 0.00 175.29 174.85 3d23 n ASN 222 N -1.25 0.36 -4.92 5.90 0.23 -1.26 -4.81 115.26 109.50 3d23 n ASN 222 Ca -0.16 0.59 -0.26 0.00 -0.53 0.00 0.00 54.58 54.21 3d23 n ASN 222 Cb 0.67 -0.66 0.06 0.00 -2.08 0.00 0.00 39.78 37.77 3d23 n ASN 222 CO 0.00 0.00 0.00 1.51 -0.93 0.00 0.00 177.26 177.84 3d23 s ASP 223 N -3.67 4.92 -0.07 0.53 3.84 -1.26 -5.09 116.67 115.88 3d23 s ASP 223 Ca 0.06 0.54 -0.11 0.00 -0.00 0.00 0.00 52.55 53.04 3d23 s ASP 223 Cb 0.10 -1.24 0.02 0.00 -1.38 0.00 0.00 42.92 40.42 3d23 s ASP 223 CO 0.34 -1.54 0.28 -0.69 -0.00 0.00 0.00 175.17 173.57 3d23 s VAL 224 N -3.24 0.03 -0.04 2.11 1.01 -1.26 -4.49 120.40 114.51 3d23 s VAL 224 Ca 0.59 -0.21 0.02 0.00 0.00 0.00 0.00 61.98 62.38 3d23 s VAL 224 Cb -0.11 -0.47 0.02 0.00 0.00 0.00 0.00 36.38 35.81 3d23 s VAL 224 CO 0.45 -0.11 -0.06 0.00 0.00 0.00 0.00 175.10 175.38 3d23 s SER 226 N 0.64 4.41 0.06 0.00 1.04 -1.26 -4.44 113.70 114.15 3d23 s SER 226 Ca -0.09 1.01 -0.21 0.00 0.48 0.00 0.00 55.95 57.13 3d23 s SER 226 Cb -0.12 -1.64 -0.13 0.00 0.10 0.00 0.00 66.02 64.23 3d23 s SER 226 CO 0.01 -1.99 1.52 0.71 0.98 0.00 0.00 173.24 174.47 3d23 h THR 227 N -1.11 1.22 -0.14 2.02 1.35 -1.97 0.32 112.91 114.61 3d23 h THR 227 Ca -0.47 -0.71 0.05 0.00 -0.55 0.00 0.00 66.41 64.73 3d23 h THR 227 Cb 1.30 1.44 -0.06 0.00 -1.73 0.00 0.00 68.15 69.11 3d23 h THR 227 CO 0.63 0.21 -0.26 -0.33 -0.25 0.00 0.00 175.52 175.51 3d23 h GLU 228 N -0.01 -0.32 -0.87 4.72 3.07 -1.96 0.42 114.58 119.64 3d23 h GLU 228 Ca 0.04 0.02 -0.01 0.00 -0.50 0.00 0.00 59.36 58.92 3d23 h GLU 228 Cb 0.30 0.07 -0.04 0.00 -0.84 0.00 0.00 28.75 28.24 3d23 h GLU 228 CO 0.00 -0.21 0.52 -0.44 -1.40 0.00 0.00 179.01 177.48 3d23 h ASP 229 N -0.33 1.04 -0.47 1.42 3.45 -1.89 -2.41 116.42 117.23 3d23 h ASP 229 Ca 0.10 -0.06 -0.09 0.00 0.43 0.00 0.00 57.03 57.41 3d23 h ASP 229 Cb 0.48 -0.26 -0.02 0.00 -0.56 0.00 0.00 39.33 38.98 3d23 h ASP 229 CO -0.32 0.80 -0.05 0.15 -1.57 0.00 0.00 179.24 178.25 3d23 h PHE 230 N 1.19 0.94 -0.25 4.55 3.57 0.72 -3.08 116.94 124.59 3d23 h PHE 230 Ca 0.31 -0.18 -0.07 0.00 3.53 0.00 0.00 57.97 61.56 3d23 h PHE 230 Cb -0.04 -0.24 -0.01 0.00 2.79 0.00 0.00 35.95 38.44 3d23 h PHE 230 CO 0.01 0.91 -0.14 -0.91 -2.23 0.00 0.00 178.31 175.95 3d23 h ASN 231 N 0.70 0.40 -0.90 0.41 -0.26 0.20 0.26 115.58 116.39 3d23 h ASN 231 Ca 0.13 -0.10 0.06 0.00 -0.56 0.00 0.00 56.30 55.82 3d23 h ASN 231 Cb 0.57 -0.11 -0.06 0.00 -1.06 0.00 0.00 38.32 37.66 3d23 h ASN 231 CO 0.03 0.57 0.57 0.58 -1.06 0.00 0.00 177.43 178.13 3d23 h VAL 232 N 0.39 1.07 0.00 2.81 2.07 -1.40 -3.16 116.25 118.03 3d23 h VAL 232 Ca 0.07 -0.36 -0.20 0.00 0.82 0.00 0.00 66.70 67.03 3d23 h VAL 232 Cb 0.48 -0.07 -0.03 0.00 -1.52 0.00 0.00 31.29 30.15 3d23 h VAL 232 CO 0.03 0.19 -1.11 -0.25 0.02 0.00 0.00 177.57 176.45 3d23 h TRP 233 N 1.05 0.00 0.13 1.57 7.01 -1.13 -3.37 115.95 121.21 3d23 h TRP 233 Ca 0.39 0.00 -0.00 0.00 2.11 0.00 0.00 58.89 61.39 3d23 h TRP 233 Cb 0.14 0.00 -0.01 0.00 -2.10 0.00 0.00 29.16 27.18 3d23 h TRP 233 CO -0.02 0.86 -0.21 0.00 -2.79 0.00 0.00 178.44 176.28 3d23 h ALA 234 N 1.14 -0.83 -0.01 2.65 0.00 -0.51 -2.73 119.26 118.97 3d23 h ALA 234 Ca -0.09 -0.06 0.00 0.00 0.00 0.00 0.00 54.91 54.76 3d23 h ALA 234 Cb 1.73 0.53 -0.00 0.00 0.00 0.00 0.00 17.79 20.05 3d23 h ALA 234 CO 0.10 -0.86 -0.01 -1.33 0.00 0.00 0.00 179.25 177.15 3d23 n MET 235 N -3.60 -0.00 0.12 0.00 2.81 -1.24 -0.19 117.12 115.02 3d23 n MET 235 Ca -0.04 0.31 0.16 0.00 -1.81 0.00 0.00 57.70 56.32 3d23 n MET 235 Cb 0.17 -0.46 0.72 0.00 -0.71 0.00 0.00 33.22 32.94 3d23 n MET 235 CO 0.00 0.00 0.00 0.00 1.51 0.00 0.00 175.97 177.48 3d23 h ALA 236 N -0.29 2.17 -0.01 3.04 0.00 -1.73 -3.26 119.26 119.18 3d23 h ALA 236 Ca 0.00 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.90 3d23 h ALA 236 Cb 0.00 0.02 0.00 0.00 0.00 0.00 0.00 17.79 17.82 3d23 h ALA 236 CO -0.01 -0.39 -0.07 0.09 0.00 0.00 0.00 179.25 178.87 3d23 n ASN 237 N -4.24 1.75 -0.13 0.00 4.13 0.73 -5.01 115.26 112.50 3d23 n ASN 237 Ca 0.04 -1.38 0.00 0.00 1.68 0.00 0.00 54.58 54.93 3d23 n ASN 237 Cb 0.40 0.15 0.00 0.00 -1.54 0.00 0.00 39.78 38.79 3d23 n ASN 237 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 3d23 n GLY 238 N 0.75 0.84 2.96 7.41 0.00 -0.84 -5.03 105.19 111.27 3d23 n GLY 238 Ca 0.06 -0.13 -0.12 0.00 0.00 0.00 0.00 46.02 45.84 3d23 n GLY 238 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 3d23 s PHE 239 N -1.96 0.29 0.50 1.61 0.40 -1.18 -1.45 117.98 116.19 3d23 s PHE 239 Ca 0.00 -0.28 -0.09 0.00 -0.60 0.00 0.00 56.93 55.96 3d23 s PHE 239 Cb 0.00 -0.19 -0.05 0.00 0.51 0.00 0.00 43.02 43.29 3d23 s PHE 239 CO 0.00 -0.08 0.87 -1.54 0.70 0.00 0.00 175.22 175.17 3d23 s SER 240 N -0.78 6.36 0.14 1.36 1.04 -0.40 -3.87 113.70 117.55 3d23 s SER 240 Ca -0.07 1.19 -0.33 0.00 0.48 0.00 0.00 55.95 57.22 3d23 s SER 240 Cb -0.05 -2.36 -0.13 0.00 0.10 0.00 0.00 66.02 63.58 3d23 s SER 240 CO -0.00 -0.61 1.65 0.00 0.98 0.00 0.00 173.24 175.25 3d23 n GLN 241 N -2.07 2.28 -2.32 4.02 1.13 -1.26 -4.50 117.38 114.66 3d23 n GLN 241 Ca 0.03 0.82 -0.42 0.00 -1.94 0.00 0.00 57.00 55.50 3d23 n GLN 241 Cb 0.54 -2.62 -0.03 0.00 0.11 0.00 0.00 30.24 28.24 3d23 n GLN 241 CO 0.00 0.00 0.00 0.08 -1.44 0.00 0.00 177.06 175.70 3d23 s VAL 242 N 1.42 3.69 0.44 5.09 1.01 -1.26 -4.83 120.40 125.95 3d23 s VAL 242 Ca 0.80 1.24 0.07 0.00 0.00 0.00 0.00 61.98 64.09 3d23 s VAL 242 Cb -0.64 -3.79 -0.03 0.00 0.00 0.00 0.00 36.38 31.92 3d23 s VAL 242 CO 0.39 0.11 0.29 -0.54 0.00 0.00 0.00 175.10 175.35 3d23 s LYS 243 N 0.86 2.35 0.89 2.72 -0.14 -1.26 -5.00 119.74 120.16 3d23 s LYS 243 Ca 0.60 -1.76 -0.10 0.00 -1.36 0.00 0.00 55.97 53.35 3d23 s LYS 243 Cb -0.33 -2.14 0.13 0.00 -1.68 0.00 0.00 37.83 33.81 3d23 s LYS 243 CO 0.31 -0.23 1.14 0.00 -0.76 0.00 0.00 175.35 175.81 3d23 s ALA 244 N -2.58 1.59 -0.30 5.17 0.00 -1.26 -5.04 121.76 119.34 3d23 s ALA 244 Ca 0.42 0.53 -0.13 0.00 0.00 0.00 0.00 51.96 52.78 3d23 s ALA 244 Cb 0.00 -3.42 0.17 0.00 0.00 0.00 0.00 23.12 19.88 3d23 s ALA 244 CO 0.24 -2.60 0.96 0.34 0.00 0.00 0.00 175.76 174.71 3d23 s ASP 245 N -2.80 -0.63 0.37 0.00 -1.08 -1.26 -5.05 116.67 106.22 3d23 s ASP 245 Ca 0.66 0.68 0.15 0.00 -0.52 0.00 0.00 52.55 53.51 3d23 s ASP 245 Cb -0.22 1.64 0.73 0.00 -1.46 0.00 0.00 42.92 43.62 3d23 s ASP 245 CO 0.58 -0.12 1.80 -0.07 0.52 0.00 0.00 175.17 177.88 3d23 h LEU 246 N 7.69 0.00 0.15 -1.34 3.38 -1.99 -2.13 115.31 121.07 3d23 h LEU 246 Ca -0.16 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 57.81 3d23 h LEU 246 Cb 1.13 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.89 3d23 h LEU 246 CO 0.05 0.38 -0.07 0.58 0.09 0.00 0.00 178.44 179.48 3d23 h VAL 247 N 0.00 0.99 -0.77 1.22 2.07 -1.96 -1.19 116.25 116.60 3d23 h VAL 247 Ca -0.00 -1.05 0.18 0.00 0.82 0.00 0.00 66.70 66.64 3d23 h VAL 247 Cb 0.73 1.59 -0.12 0.00 -1.52 0.00 0.00 31.29 31.97 3d23 h VAL 247 CO 0.05 0.23 0.18 -0.07 0.02 0.00 0.00 177.57 177.98 3d23 h LEU 248 N -0.74 -0.00 -1.17 2.57 3.38 -1.92 0.43 115.31 117.86 3d23 h LEU 248 Ca -0.02 0.16 0.16 0.00 0.09 0.00 0.00 57.88 58.27 3d23 h LEU 248 Cb 0.52 0.22 -0.08 0.00 0.09 0.00 0.00 40.66 41.41 3d23 h LEU 248 CO 0.03 -0.06 0.60 0.44 0.09 0.00 0.00 178.44 179.54 3d23 h ASP 249 N 0.26 0.73 0.11 -0.43 3.32 -1.17 0.21 116.42 119.44 3d23 h ASP 249 Ca 0.44 0.06 -0.24 0.00 0.02 0.00 0.00 57.03 57.31 3d23 h ASP 249 Cb 0.79 -0.08 0.01 0.00 0.22 0.00 0.00 39.33 40.27 3d23 h ASP 249 CO -0.55 0.34 -0.95 0.00 -1.72 0.00 0.00 179.24 176.36 3d23 h ALA 250 N 1.60 0.26 -0.03 3.45 0.00 0.98 -2.32 119.26 123.20 3d23 h ALA 250 Ca 0.50 -0.68 -0.12 0.00 0.00 0.00 0.00 54.91 54.61 3d23 h ALA 250 Cb 0.76 0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.55 3d23 h ALA 250 CO -0.26 0.73 -0.53 -0.07 0.00 0.00 0.00 179.25 179.12 3d23 h LEU 251 N 0.36 0.10 -0.24 0.00 3.38 0.40 -1.29 115.31 118.01 3d23 h LEU 251 Ca -0.10 -0.05 -0.00 0.00 0.09 0.00 0.00 57.88 57.82 3d23 h LEU 251 Cb 1.59 -0.03 -0.01 0.00 0.09 0.00 0.00 40.66 42.30 3d23 h LEU 251 CO 0.18 0.61 0.15 0.00 0.09 0.00 0.00 178.44 179.46 3d23 h ALA 252 N 1.39 0.31 -0.38 1.53 0.00 -0.30 -1.06 119.26 120.75 3d23 h ALA 252 Ca -0.00 -0.04 -0.05 0.00 0.00 0.00 0.00 54.91 54.82 3d23 h ALA 252 Cb 0.96 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 18.63 3d23 h ALA 252 CO 0.07 -0.19 0.04 1.03 0.00 0.00 0.00 179.25 180.20 3d23 h SER 253 N 0.30 0.62 -0.50 0.00 0.87 -1.28 0.17 113.55 113.73 3d23 h SER 253 Ca 0.09 -0.28 0.02 0.00 -1.23 0.00 0.00 61.79 60.38 3d23 h SER 253 Cb 0.02 -0.17 -0.03 0.00 -0.44 0.00 0.00 62.40 61.78 3d23 h SER 253 CO -0.02 0.75 0.31 0.24 -0.53 0.00 0.00 176.83 177.58 3d23 h MET 254 N 0.48 0.61 0.00 2.24 2.07 -0.89 -3.11 114.93 116.32 3d23 h MET 254 Ca 0.11 -0.04 0.00 0.00 -2.07 0.00 0.00 59.70 57.71 3d23 h MET 254 Cb 0.41 -0.14 0.00 0.00 -1.87 0.00 0.00 31.60 30.00 3d23 h MET 254 CO 0.01 0.40 -1.14 0.25 1.07 0.00 0.00 176.91 177.51 3d23 n THR 255 N -4.78 0.38 -0.50 2.22 -2.24 -0.43 -4.95 114.28 103.98 3d23 n THR 255 Ca 0.03 -0.44 0.00 0.00 -2.27 0.00 0.00 64.05 61.37 3d23 n THR 255 Cb 0.06 -0.13 0.00 0.00 -2.10 0.00 0.00 70.33 68.16 3d23 n THR 255 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3d23 n GLY 256 N 1.26 1.79 3.70 3.38 0.00 0.58 -5.01 105.19 110.89 3d23 n GLY 256 Ca 0.00 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.65 3d23 n GLY 256 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3d23 s VAL 257 N -3.32 5.22 0.48 1.61 1.01 -1.21 -5.00 120.40 119.19 3d23 s VAL 257 Ca 0.00 0.77 -0.06 0.00 0.00 0.00 0.00 61.98 62.68 3d23 s VAL 257 Cb 0.00 -3.74 -0.04 0.00 0.00 0.00 0.00 36.38 32.60 3d23 s VAL 257 CO 0.00 0.31 0.80 -0.94 0.00 0.00 0.00 175.10 175.27 3d23 s SER 258 N 0.74 6.30 0.31 3.32 1.04 -1.26 -4.42 113.70 119.73 3d23 s SER 258 Ca 0.21 0.99 -0.01 0.00 0.48 0.00 0.00 55.95 57.63 3d23 s SER 258 Cb -0.14 -2.28 0.49 0.00 0.10 0.00 0.00 66.02 64.19 3d23 s SER 258 CO 0.08 -0.57 1.96 0.40 0.98 0.00 0.00 173.24 176.09 3d23 h ILE 259 N 0.32 1.20 0.00 -1.02 2.04 -1.95 -2.20 117.51 115.90 3d23 h ILE 259 Ca -0.47 -0.42 -0.15 0.00 1.00 0.00 0.00 64.86 64.83 3d23 h ILE 259 Cb 1.20 0.14 -0.02 0.00 -0.74 0.00 0.00 36.82 37.40 3d23 h ILE 259 CO 0.62 0.20 -0.70 1.05 0.00 0.00 0.00 178.15 179.33 3d23 h GLU 260 N 1.02 0.00 -0.98 2.37 9.09 -1.93 -1.04 114.58 123.11 3d23 h GLU 260 Ca 0.27 0.00 0.20 0.00 0.05 0.00 0.00 59.36 59.88 3d23 h GLU 260 Cb -0.07 0.00 -0.09 0.00 -1.65 0.00 0.00 28.75 26.94 3d23 h GLU 260 CO -0.05 0.70 0.61 1.15 0.05 0.00 0.00 179.01 181.47 3d23 h THR 261 N 0.00 0.69 0.00 -1.06 2.02 -1.63 -1.94 112.91 111.00 3d23 h THR 261 Ca -0.01 -0.21 -0.04 0.00 0.77 0.00 0.00 66.41 66.91 3d23 h THR 261 Cb 1.27 0.01 -0.01 0.00 -1.74 0.00 0.00 68.15 67.68 3d23 h THR 261 CO 0.09 0.11 -1.04 -0.07 0.37 0.00 0.00 175.52 174.99 3d23 h LEU 262 N 0.62 0.00 -0.19 2.58 3.38 -1.07 -2.71 115.31 117.92 3d23 h LEU 262 Ca 0.54 0.00 -0.00 0.00 0.09 0.00 0.00 57.88 58.51 3d23 h LEU 262 Cb 1.03 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.77 3d23 h LEU 262 CO -0.30 0.16 0.10 -0.07 0.09 0.00 0.00 178.44 178.42 3d23 h LEU 263 N 0.00 0.24 -0.67 1.67 3.38 -0.95 0.73 115.31 119.71 3d23 h LEU 263 Ca -0.04 -0.09 0.06 0.00 0.09 0.00 0.00 57.88 57.90 3d23 h LEU 263 Cb 1.15 -0.06 -0.05 0.00 0.09 0.00 0.00 40.66 41.79 3d23 h LEU 263 CO 0.01 0.26 0.38 0.00 0.09 0.00 0.00 178.44 179.18 3d23 h ALA 264 N 0.99 0.90 -0.78 1.53 0.00 -1.44 -1.86 119.26 118.60 3d23 h ALA 264 Ca 0.07 0.01 -0.01 0.00 0.00 0.00 0.00 54.91 54.98 3d23 h ALA 264 Cb 0.08 -0.13 -0.04 0.00 0.00 0.00 0.00 17.79 17.70 3d23 h ALA 264 CO -0.01 0.06 0.45 0.00 0.00 0.00 0.00 179.25 179.75 3d23 h ALA 265 N 1.35 1.00 0.02 0.00 0.00 -1.14 -2.36 119.26 118.13 3d23 h ALA 265 Ca 0.30 -0.10 0.01 0.00 0.00 0.00 0.00 54.91 55.12 3d23 h ALA 265 Cb 0.18 -0.31 -0.01 0.00 0.00 0.00 0.00 17.79 17.64 3d23 h ALA 265 CO -0.18 0.49 -0.08 0.82 0.00 0.00 0.00 179.25 180.30 3d23 h ILE 266 N 1.08 0.81 -0.72 0.00 2.04 -0.10 -0.74 117.51 119.88 3d23 h ILE 266 Ca 0.28 0.00 0.15 0.00 1.00 0.00 0.00 64.86 66.29 3d23 h ILE 266 Cb -0.01 0.81 -0.13 0.00 -0.74 0.00 0.00 36.82 36.75 3d23 h ILE 266 CO -0.05 0.00 -0.11 0.11 0.00 0.00 0.00 178.15 178.10 3d23 h LYS 267 N -0.14 0.03 -0.09 2.37 1.57 -0.97 0.21 116.57 119.55 3d23 h LYS 267 Ca 0.02 -0.00 -0.06 0.00 -1.87 0.00 0.00 60.65 58.74 3d23 h LYS 267 Cb 0.17 -0.01 -0.01 0.00 0.08 0.00 0.00 32.23 32.46 3d23 h LYS 267 CO -0.06 0.02 -0.24 0.00 -0.57 0.00 0.00 179.45 178.60 3d23 h ARG 268 N 0.03 0.16 0.05 3.15 3.08 -1.15 -3.16 114.38 116.55 3d23 h ARG 268 Ca 0.36 -0.05 -0.23 0.00 0.07 0.00 0.00 59.98 60.13 3d23 h ARG 268 Cb 0.59 -0.02 -0.01 0.00 0.08 0.00 0.00 29.97 30.61 3d23 h ARG 268 CO -0.70 0.39 -1.09 -0.07 -1.07 0.00 0.00 179.97 177.43 3d23 h LEU 269 N 0.14 0.20 -0.84 3.04 3.38 0.44 -3.10 115.31 118.58 3d23 h LEU 269 Ca 0.02 -0.21 0.19 0.00 0.09 0.00 0.00 57.88 57.97 3d23 h LEU 269 Cb 0.50 -0.07 -0.11 0.00 0.09 0.00 0.00 40.66 41.08 3d23 h LEU 269 CO 0.03 1.15 0.34 0.22 0.09 0.00 0.00 178.44 180.27 3d23 h TYR 270 N 0.04 0.57 0.00 1.13 3.20 -0.62 -1.29 116.97 120.00 3d23 h TYR 270 Ca -0.07 0.04 0.00 0.00 3.14 0.00 0.00 58.73 61.84 3d23 h TYR 270 Cb 1.82 -0.12 0.00 0.00 1.54 0.00 0.00 36.73 39.97 3d23 h TYR 270 CO 0.03 -0.00 0.00 -1.33 -1.64 0.00 0.00 178.16 175.22 3d23 n MET 271 N -5.03 0.78 0.00 1.82 2.81 -1.17 -4.90 117.12 111.43 3d23 n MET 271 Ca 0.19 0.00 0.00 0.00 -1.81 0.00 0.00 57.70 56.08 3d23 n MET 271 Cb 0.55 -1.16 0.00 0.00 -0.71 0.00 0.00 33.22 31.89 3d23 n MET 271 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 3d23 n GLY 272 N 0.37 4.20 0.10 3.03 0.00 -0.49 -4.90 105.19 107.51 3d23 n GLY 272 Ca 0.06 -1.33 0.14 0.00 0.00 0.00 0.00 46.02 44.90 3d23 n GLY 272 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 3d23 n PHE 273 N -1.20 0.00 0.00 1.61 0.99 -1.25 -4.48 117.46 113.13 3d23 n PHE 273 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 57.45 57.45 3d23 n PHE 273 Cb 0.00 -0.20 0.00 0.00 -1.00 0.00 0.00 39.48 38.28 3d23 n PHE 273 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.76 176.76 3d23 n GLN 274 N -1.00 0.00 0.00 -1.08 0.00 -1.26 -2.23 117.38 111.81 3d23 n GLN 274 Ca 0.14 0.00 0.05 0.00 0.00 0.00 0.00 57.00 57.19 3d23 n GLN 274 Cb 0.28 0.00 -0.02 0.00 0.00 0.00 0.00 30.24 30.49 3d23 n GLN 274 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.06 177.47 3d23 n GLY 275 N 0.00 -0.07 3.77 2.61 0.00 -1.26 -5.03 105.19 105.20 3d23 n GLY 275 Ca 0.00 -0.30 -0.38 0.00 0.00 0.00 0.00 46.02 45.34 3d23 n GLY 275 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3d23 s ARG 276 N -1.60 3.75 0.12 1.61 0.52 -0.95 -5.05 118.95 117.35 3d23 s ARG 276 Ca 0.07 2.02 0.06 0.00 -0.52 0.00 0.00 55.73 57.36 3d23 s ARG 276 Cb 0.08 -2.54 -0.04 0.00 0.52 0.00 0.00 34.95 32.97 3d23 s ARG 276 CO 0.32 -0.63 -0.02 -0.65 0.02 0.00 0.00 175.30 174.34 3d23 s GLN 277 N -2.52 2.40 -0.18 3.54 -0.21 -1.26 -4.76 119.66 116.67 3d23 s GLN 277 Ca 0.62 -0.95 -0.00 0.00 0.02 0.00 0.00 55.36 55.04 3d23 s GLN 277 Cb -0.35 -2.44 0.01 0.00 1.00 0.00 0.00 33.01 31.23 3d23 s GLN 277 CO 0.43 0.51 -0.15 0.42 -2.12 0.00 0.00 175.29 174.38 3d23 s ILE 278 N -1.39 2.55 -1.34 1.08 1.01 -0.63 -4.63 121.20 117.85 3d23 s ILE 278 Ca 0.25 -0.78 -0.05 0.00 0.00 0.00 0.00 60.65 60.07 3d23 s ILE 278 Cb -0.11 -2.10 0.05 0.00 0.01 0.00 0.00 42.46 40.31 3d23 s ILE 278 CO 0.17 0.50 0.12 0.18 0.00 0.00 0.00 174.94 175.91 3d23 n LEU 279 N 4.49 -0.76 -2.24 2.97 4.77 -1.26 -1.34 117.00 123.63 3d23 n LEU 279 Ca -0.20 -1.05 -0.17 0.00 -0.03 0.00 0.00 56.01 54.56 3d23 n LEU 279 Cb 0.51 -1.31 0.02 0.00 -2.33 0.00 0.00 43.42 40.31 3d23 n LEU 279 CO 0.27 0.31 -0.08 0.61 -1.33 0.00 0.00 177.39 177.18 3d23 n GLY 280 N -1.98 -0.29 3.12 -0.72 0.00 -1.26 -5.05 105.19 99.01 3d23 n GLY 280 Ca -0.18 -0.11 -0.08 0.00 0.00 0.00 0.00 46.02 45.65 3d23 n GLY 280 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3d23 s SER 281 N -2.59 0.41 -0.03 1.61 1.04 -0.45 -5.03 113.70 108.66 3d23 s SER 281 Ca 0.16 -1.01 0.13 0.00 0.48 0.00 0.00 55.95 55.71 3d23 s SER 281 Cb -0.07 0.24 0.39 0.00 0.10 0.00 0.00 66.02 66.68 3d23 s SER 281 CO 0.19 -0.65 1.33 0.00 0.98 0.00 0.00 173.24 175.09 3d23 s THR 283 N -1.31 1.48 0.26 0.00 -4.23 -1.26 -4.73 115.64 105.85 3d23 s THR 283 Ca 0.30 -1.88 -0.30 0.00 -1.18 0.00 0.00 61.69 58.63 3d23 s THR 283 Cb 0.18 -1.72 -0.14 0.00 1.34 0.00 0.00 72.50 72.16 3d23 s THR 283 CO 0.17 -0.46 1.21 0.49 -0.54 0.00 0.00 174.62 175.48 3d23 n PHE 284 N 0.25 1.72 -3.79 3.99 3.01 -1.26 -4.96 117.46 116.42 3d23 n PHE 284 Ca -0.13 0.59 -0.36 0.00 1.01 0.00 0.00 57.45 58.56 3d23 n PHE 284 Cb 0.58 -2.35 -0.13 0.00 -0.01 0.00 0.00 39.48 37.57 3d23 n PHE 284 CO 0.00 0.00 0.00 -1.21 1.01 0.00 0.00 176.76 176.56 3d23 s GLU 285 N -1.03 3.46 -0.07 -1.08 0.41 -1.26 -4.97 118.70 114.16 3d23 s GLU 285 Ca 0.64 -0.60 0.10 0.00 -0.41 0.00 0.00 54.97 54.70 3d23 s GLU 285 Cb -0.69 -3.27 0.15 0.00 -1.78 0.00 0.00 34.13 28.54 3d23 s GLU 285 CO 0.56 -0.25 1.06 -0.40 -0.49 0.00 0.00 175.26 175.73 3d23 n ASP 286 N 4.88 1.97 -0.21 -0.19 5.75 -1.26 -3.72 116.55 123.77 3d23 n ASP 286 Ca -0.16 -2.54 0.14 0.00 -0.01 0.00 0.00 54.79 52.22 3d23 n ASP 286 Cb 0.50 -0.24 0.55 0.00 -1.03 0.00 0.00 41.12 40.90 3d23 n ASP 286 CO 0.00 0.00 0.00 -0.62 -0.11 0.00 0.00 177.20 176.47 3d23 n GLU 287 N -0.95 0.92 -4.92 0.11 1.02 -1.26 -4.75 120.64 110.81 3d23 n GLU 287 Ca 0.09 -0.42 -0.31 0.00 -0.02 0.00 0.00 57.16 56.49 3d23 n GLU 287 Cb 0.50 -1.49 -0.17 0.00 -0.02 0.00 0.00 31.44 30.26 3d23 n GLU 287 CO 0.00 0.00 0.00 -0.51 1.18 0.00 0.00 177.13 177.80 3d23 s LEU 288 N -2.37 2.02 0.83 -4.62 1.43 -1.26 -4.65 118.68 110.06 3d23 s LEU 288 Ca 0.30 -0.54 -0.11 0.00 -1.03 0.00 0.00 54.13 52.76 3d23 s LEU 288 Cb 0.20 -1.34 0.09 0.00 0.03 0.00 0.00 46.19 45.17 3d23 s LEU 288 CO 0.46 0.11 1.09 0.00 0.23 0.00 0.00 176.35 178.24 3d23 s ALA 289 N 0.58 1.93 0.18 4.21 0.00 -1.26 -4.58 121.76 122.82 3d23 s ALA 289 Ca -0.14 0.15 -0.19 0.00 0.00 0.00 0.00 51.96 51.78 3d23 s ALA 289 Cb -0.17 -3.25 0.13 0.00 0.00 0.00 0.00 23.12 19.83 3d23 s ALA 289 CO 0.04 -2.05 1.61 -1.35 0.00 0.00 0.00 175.76 174.01 3d23 h PRO 290 N -1.33 -0.14 0.00 0.00 0.11 -1.89 -2.16 132.00 126.59 3d23 h PRO 290 Ca -0.46 0.01 -0.03 0.00 0.11 0.00 0.00 66.00 65.63 3d23 h PRO 290 Cb 1.25 0.03 -0.00 0.00 0.11 0.00 0.00 31.00 32.39 3d23 h PRO 290 CO 0.52 -0.09 -0.13 0.66 -0.21 0.00 0.00 178.00 178.74 3d23 h SER 291 N -0.14 0.00 -0.13 -2.05 4.64 -1.97 -0.64 113.55 113.25 3d23 h SER 291 Ca 0.23 0.00 -0.01 0.00 -0.47 0.00 0.00 61.79 61.54 3d23 h SER 291 Cb 0.50 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.59 3d23 h SER 291 CO -0.59 0.13 0.04 0.44 -0.87 0.00 0.00 176.83 175.98 3d23 h ASP 292 N 0.00 0.19 -0.48 4.97 3.32 -1.77 -1.02 116.42 121.63 3d23 h ASP 292 Ca -0.00 -0.21 0.03 0.00 0.02 0.00 0.00 57.03 56.87 3d23 h ASP 292 Cb 0.68 -0.05 -0.04 0.00 0.22 0.00 0.00 39.33 40.14 3d23 h ASP 292 CO 0.02 0.35 0.26 0.58 -1.72 0.00 0.00 179.24 178.73 3d23 h VAL 293 N 0.02 1.01 -0.40 -1.35 2.07 -0.72 -1.75 116.25 115.13 3d23 h VAL 293 Ca 0.04 -0.18 -0.13 0.00 0.82 0.00 0.00 66.70 67.25 3d23 h VAL 293 Cb 0.23 0.44 -0.01 0.00 -1.52 0.00 0.00 31.29 30.42 3d23 h VAL 293 CO -0.00 0.10 -0.27 0.22 0.02 0.00 0.00 177.57 177.63 3d23 h TYR 294 N 0.53 0.98 -0.28 1.57 3.20 -1.15 -1.94 116.97 119.87 3d23 h TYR 294 Ca 0.20 -0.25 -0.18 0.00 3.14 0.00 0.00 58.73 61.64 3d23 h TYR 294 Cb 0.06 -0.22 -0.00 0.00 1.54 0.00 0.00 36.73 38.11 3d23 h TYR 294 CO -0.08 1.02 -0.54 -0.56 -1.64 0.00 0.00 178.16 176.36 3d23 h GLN 295 N 0.72 0.84 0.00 1.82 3.07 -1.01 0.22 115.11 120.76 3d23 h GLN 295 Ca 0.09 -0.53 -0.06 0.00 0.09 0.00 0.00 58.65 58.24 3d23 h GLN 295 Cb 0.82 0.06 -0.01 0.00 0.08 0.00 0.00 27.48 28.43 3d23 h GLN 295 CO 0.07 1.16 -0.28 1.96 0.09 0.00 0.00 178.83 181.83 3d23 h GLN 296 N 0.64 0.00 0.00 0.06 4.20 -1.20 -2.24 115.11 116.57 3d23 h GLN 296 Ca 0.02 0.00 -0.31 0.00 0.06 0.00 0.00 58.65 58.41 3d23 h GLN 296 Cb 1.14 0.00 -0.06 0.00 0.30 0.00 0.00 27.48 28.86 3d23 h GLN 296 CO 0.12 0.28 -2.19 1.28 -0.67 0.00 0.00 178.83 177.65 3d23 n LEU 297 N -3.91 2.35 -0.01 1.46 4.77 -0.74 -4.60 117.00 116.33 3d23 n LEU 297 Ca -0.02 -0.09 0.09 0.00 -0.03 0.00 0.00 56.01 55.96 3d23 n LEU 297 Cb 0.36 -0.50 -0.14 0.00 -2.33 0.00 0.00 43.42 40.81 3d23 n LEU 297 CO 0.36 0.76 -0.64 0.00 -1.33 0.00 0.00 177.39 176.54 3d23 n ALA 298 N -3.01 2.84 -1.25 -1.18 0.00 0.74 -5.07 120.51 113.57 3d23 n ALA 298 Ca -0.35 -0.44 0.00 0.00 0.00 0.00 0.00 53.44 52.65 3d23 n ALA 298 Cb 0.93 -0.62 0.00 0.00 0.00 0.00 0.00 19.45 19.76 3d23 n ALA 298 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3d23 n GLY 299 N 1.47 -2.55 0.00 0.00 0.00 -0.84 -5.01 105.19 98.26 3d23 n GLY 299 Ca -0.03 -0.47 0.00 0.00 0.00 0.00 0.00 46.02 45.52 3d23 n GLY 299 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70