#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3df9 s LYS 2 N 0.00 1.79 -0.22 2.12 2.20 -1.26 -4.11 119.74 120.27 3df9 s LYS 2 Ca 0.00 -0.58 -0.15 0.00 -0.36 0.00 0.00 55.97 54.88 3df9 s LYS 2 Cb 0.00 -2.08 -0.04 0.00 -1.51 0.00 0.00 37.83 34.20 3df9 s LYS 2 CO 0.00 -0.37 0.34 0.42 -0.36 0.00 0.00 175.35 175.38 3df9 s ILE 3 N 1.55 5.23 0.10 5.43 1.01 -0.28 -0.09 121.20 134.15 3df9 s ILE 3 Ca 0.02 0.57 -0.24 0.00 0.00 0.00 0.00 60.65 61.01 3df9 s ILE 3 Cb -0.15 -3.67 -0.07 0.00 0.01 0.00 0.00 42.46 38.58 3df9 s ILE 3 CO -0.09 0.27 0.72 -0.83 0.00 0.00 0.00 174.94 175.01 3df9 s GLY 4 N 1.09 2.81 -0.05 6.18 0.00 -0.14 -1.62 107.32 115.59 3df9 s GLY 4 Ca 0.16 0.24 0.02 0.00 0.00 0.00 0.00 44.72 45.14 3df9 s GLY 4 CO 0.07 0.84 -0.09 -0.42 0.00 0.00 0.00 173.10 173.50 3df9 s ILE 5 N -0.73 0.88 -0.11 0.90 1.01 -0.39 -0.32 121.20 122.43 3df9 s ILE 5 Ca 0.35 -0.36 0.02 0.00 0.00 0.00 0.00 60.65 60.66 3df9 s ILE 5 Cb -0.21 -0.81 0.01 0.00 0.01 0.00 0.00 42.46 41.46 3df9 s ILE 5 CO 0.23 0.29 -0.19 -0.63 0.00 0.00 0.00 174.94 174.64 3df9 s ILE 6 N 0.54 1.75 0.06 2.92 1.01 0.08 0.27 121.20 127.83 3df9 s ILE 6 Ca -0.10 -0.81 0.05 0.00 0.00 0.00 0.00 60.65 59.80 3df9 s ILE 6 Cb -0.13 -1.56 -0.03 0.00 0.01 0.00 0.00 42.46 40.75 3df9 s ILE 6 CO 0.02 0.49 -0.15 -0.83 0.00 0.00 0.00 174.94 174.46 3df9 s GLY 7 N 0.77 0.89 -0.05 6.18 0.00 -0.28 -1.05 107.32 113.77 3df9 s GLY 7 Ca -0.10 -0.95 -0.19 0.00 0.00 0.00 0.00 44.72 43.48 3df9 s GLY 7 CO 0.01 -0.94 0.78 0.00 0.00 0.00 0.00 173.10 172.95 3df9 h ALA 8 N 4.63 -0.26 -2.63 3.20 0.00 -1.80 -0.57 119.26 121.82 3df9 h ALA 8 Ca -0.40 -0.20 -0.56 0.00 0.00 0.00 0.00 54.91 53.75 3df9 h ALA 8 Cb 1.18 0.10 -0.03 0.00 0.00 0.00 0.00 17.79 19.04 3df9 h ALA 8 CO 0.42 -0.31 -0.43 -1.64 0.00 0.00 0.00 179.25 177.29 3df9 s MET 9 N -3.26 3.47 0.23 0.00 -1.94 -1.26 -1.63 119.30 114.91 3df9 s MET 9 Ca -0.11 -0.46 -0.06 0.00 -1.71 0.00 0.00 55.69 53.35 3df9 s MET 9 Cb 0.00 -2.94 0.38 0.00 2.01 0.00 0.00 34.83 34.29 3df9 s MET 9 CO 0.41 0.50 1.76 1.49 -0.01 0.00 0.00 175.02 179.17 3df9 h GLU 10 N 2.35 0.51 -0.09 2.03 4.81 -1.98 -0.34 114.58 121.86 3df9 h GLU 10 Ca -0.47 -0.03 0.03 0.00 -0.13 0.00 0.00 59.36 58.75 3df9 h GLU 10 Cb 1.18 -0.12 -0.00 0.00 0.63 0.00 0.00 28.75 30.45 3df9 h GLU 10 CO 0.70 0.34 0.07 1.49 -0.73 0.00 0.00 179.01 180.88 3df9 h GLU 11 N 0.53 0.00 0.00 1.92 4.81 -2.00 0.12 114.58 119.95 3df9 h GLU 11 Ca 0.37 0.00 -0.03 0.00 -0.13 0.00 0.00 59.36 59.58 3df9 h GLU 11 Cb 0.48 0.00 -0.00 0.00 0.63 0.00 0.00 28.75 29.85 3df9 h GLU 11 CO -0.33 0.00 -0.71 0.93 -0.73 0.00 0.00 179.01 178.18 3df9 h GLU 12 N 0.00 0.00 -0.00 1.92 5.08 -1.45 -3.37 114.58 116.75 3df9 h GLU 12 Ca 0.04 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.40 3df9 h GLU 12 Cb 0.18 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.43 3df9 h GLU 12 CO -0.00 0.07 -0.32 1.33 -1.00 0.00 0.00 179.01 179.09 3df9 n VAL 13 N -2.87 0.00 -0.03 3.13 0.24 -0.85 -4.74 118.33 113.21 3df9 n VAL 13 Ca 0.00 -0.34 -0.16 0.00 -2.04 0.00 0.00 64.34 61.81 3df9 n VAL 13 Cb 0.59 1.07 -0.05 0.00 -1.47 0.00 0.00 33.84 33.98 3df9 n VAL 13 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 3df9 h THR 14 N 0.66 1.28 -0.68 3.34 1.03 -1.16 0.30 112.91 117.68 3df9 h THR 14 Ca 0.00 -1.90 -0.00 0.00 -0.01 0.00 0.00 66.41 64.50 3df9 h THR 14 Cb 0.30 1.86 -0.03 0.00 -1.07 0.00 0.00 68.15 69.21 3df9 h THR 14 CO 0.00 0.60 0.41 -0.07 -0.01 0.00 0.00 175.52 176.46 3df9 h LEU 15 N 0.56 0.81 -0.29 0.00 3.38 -1.85 -1.42 115.31 116.51 3df9 h LEU 15 Ca -0.03 -0.06 -0.06 0.00 0.09 0.00 0.00 57.88 57.82 3df9 h LEU 15 Cb 1.31 -0.21 -0.01 0.00 0.09 0.00 0.00 40.66 41.84 3df9 h LEU 15 CO 0.14 0.63 -0.07 -0.07 0.09 0.00 0.00 178.44 179.17 3df9 h LEU 16 N 0.93 0.56 -1.09 1.67 3.38 -1.85 -3.07 115.31 115.83 3df9 h LEU 16 Ca 0.24 -0.36 0.07 0.00 0.09 0.00 0.00 57.88 57.93 3df9 h LEU 16 Cb -0.04 -0.15 -0.06 0.00 0.09 0.00 0.00 40.66 40.50 3df9 h LEU 16 CO -0.05 0.79 0.62 -0.09 0.09 0.00 0.00 178.44 179.80 3df9 h ARG 17 N 0.32 1.04 0.00 1.13 2.43 -0.75 -1.72 114.38 116.82 3df9 h ARG 17 Ca 0.07 -0.06 -0.02 0.00 -0.81 0.00 0.00 59.98 59.17 3df9 h ARG 17 Cb 0.54 -0.23 -0.00 0.00 -0.42 0.00 0.00 29.97 29.86 3df9 h ARG 17 CO 0.03 0.69 -0.08 -0.44 -1.51 0.00 0.00 179.97 178.66 3df9 h ASP 18 N 1.07 0.00 0.22 -3.80 3.32 -1.17 -2.56 116.42 113.49 3df9 h ASP 18 Ca 0.42 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.47 3df9 h ASP 18 Cb 0.23 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.78 3df9 h ASP 18 CO -0.17 0.08 -0.53 0.29 -1.72 0.00 0.00 179.24 177.19 3df9 n LYS 19 N -4.05 0.48 -2.58 3.56 5.02 -0.67 -4.89 118.16 115.03 3df9 n LYS 19 Ca -0.03 -0.34 -0.43 0.00 -2.02 0.00 0.00 58.31 55.50 3df9 n LYS 19 Cb 0.16 -1.49 -0.02 0.00 -0.02 0.00 0.00 35.03 33.66 3df9 n LYS 19 CO 0.00 0.00 0.00 0.42 -0.52 0.00 0.00 177.40 177.30 3df9 s ILE 20 N -2.75 4.45 0.35 -0.18 1.01 -0.97 -4.52 121.20 118.59 3df9 s ILE 20 Ca 0.16 1.70 0.07 0.00 0.00 0.00 0.00 60.65 62.57 3df9 s ILE 20 Cb 0.18 -4.29 -0.01 0.00 0.01 0.00 0.00 42.46 38.35 3df9 s ILE 20 CO 0.66 -0.37 0.47 -1.61 0.00 0.00 0.00 174.94 174.08 3df9 s GLU 21 N 3.63 3.03 -1.65 2.79 2.02 -0.19 -4.21 118.70 124.11 3df9 s GLU 21 Ca 0.48 -1.08 -0.17 0.00 0.02 0.00 0.00 54.97 54.22 3df9 s GLU 21 Cb -0.15 -2.77 0.14 0.00 0.10 0.00 0.00 34.13 31.45 3df9 s GLU 21 CO 0.15 0.01 0.83 0.09 0.02 0.00 0.00 175.26 176.36 3df9 n ASN 22 N -1.64 -3.63 -4.71 -0.19 3.02 -1.26 -0.88 115.26 105.97 3df9 n ASN 22 Ca 0.01 -0.95 -0.42 0.00 -0.03 0.00 0.00 54.58 53.19 3df9 n ASN 22 Cb 0.58 -3.06 -0.03 0.00 -0.61 0.00 0.00 39.78 36.66 3df9 n ASN 22 CO 0.00 0.00 0.00 -0.60 -2.62 0.00 0.00 177.26 174.04 3df9 s ARG 23 N -6.84 4.47 0.25 3.52 3.52 -1.26 -4.27 118.95 118.34 3df9 s ARG 23 Ca 0.70 1.59 0.09 0.00 -0.13 0.00 0.00 55.73 57.98 3df9 s ARG 23 Cb -0.38 -3.44 -0.05 0.00 -1.56 0.00 0.00 34.95 29.52 3df9 s ARG 23 CO 0.90 -0.21 -0.15 -0.65 -0.81 0.00 0.00 175.30 174.38 3df9 s GLN 24 N 1.30 1.50 -0.10 5.12 -0.21 -0.77 -4.98 119.66 121.51 3df9 s GLN 24 Ca 0.55 -1.70 0.01 0.00 0.02 0.00 0.00 55.36 54.24 3df9 s GLN 24 Cb -0.24 -1.37 0.02 0.00 1.00 0.00 0.00 33.01 32.42 3df9 s GLN 24 CO 0.27 0.21 -0.13 0.99 -2.12 0.00 0.00 175.29 174.51 3df9 s THR 25 N -2.81 1.31 -0.24 -0.19 2.01 -1.26 -1.17 115.64 113.29 3df9 s THR 25 Ca 0.26 -0.52 -0.10 0.00 0.31 0.00 0.00 61.69 61.64 3df9 s THR 25 Cb -0.01 -1.23 -0.05 0.00 0.01 0.00 0.00 72.50 71.22 3df9 s THR 25 CO 0.11 0.41 0.16 -0.63 -0.69 0.00 0.00 174.62 173.97 3df9 s ILE 26 N 1.15 5.35 -0.28 1.82 1.01 1.00 -4.95 121.20 126.30 3df9 s ILE 26 Ca -0.04 0.18 -0.01 0.00 0.00 0.00 0.00 60.65 60.78 3df9 s ILE 26 Cb -0.14 -3.49 0.05 0.00 0.01 0.00 0.00 42.46 38.88 3df9 s ILE 26 CO -0.03 0.35 -0.03 -0.55 0.00 0.00 0.00 174.94 174.67 3df9 s SER 27 N 1.04 4.69 -0.26 3.58 0.15 -1.26 -0.47 113.70 121.16 3df9 s SER 27 Ca 0.07 -1.21 -0.24 0.00 0.70 0.00 0.00 55.95 55.27 3df9 s SER 27 Cb -0.13 -1.67 0.07 0.00 -1.71 0.00 0.00 66.02 62.57 3df9 s SER 27 CO 0.04 -0.22 0.70 -0.22 1.20 0.00 0.00 173.24 174.74 3df9 s LEU 28 N 1.24 -0.70 -0.95 3.45 0.20 -0.25 -4.93 118.68 116.74 3df9 s LEU 28 Ca -0.05 1.42 -0.00 0.00 0.69 0.00 0.00 54.13 56.19 3df9 s LEU 28 Cb -0.19 2.40 0.00 0.00 -0.43 0.00 0.00 46.19 47.97 3df9 s LEU 28 CO -0.02 -0.24 0.01 0.61 -0.29 0.00 0.00 176.35 176.42 3df9 n GLY 29 N 2.81 -0.50 2.18 7.98 0.00 -1.26 -0.31 105.19 116.09 3df9 n GLY 29 Ca -0.14 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.88 3df9 n GLY 29 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3df9 n GLY 30 N -0.78 0.54 3.37 -0.02 0.00 -1.26 -4.97 105.19 102.07 3df9 n GLY 30 Ca -0.13 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.68 3df9 n GLY 30 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3df9 s GLU 32 N -3.27 2.93 -0.14 0.00 2.02 -1.21 -1.09 118.70 117.93 3df9 s GLU 32 Ca 0.22 -0.80 0.02 0.00 0.02 0.00 0.00 54.97 54.43 3df9 s GLU 32 Cb -0.04 -2.37 0.01 0.00 0.10 0.00 0.00 34.13 31.83 3df9 s GLU 32 CO 0.09 0.31 -0.21 0.42 0.02 0.00 0.00 175.26 175.89 3df9 s ILE 33 N 0.04 2.16 -0.30 -1.63 1.01 0.38 -1.43 121.20 121.43 3df9 s ILE 33 Ca -0.08 -0.94 -0.10 0.00 0.00 0.00 0.00 60.65 59.53 3df9 s ILE 33 Cb -0.15 -1.87 -0.01 0.00 0.01 0.00 0.00 42.46 40.44 3df9 s ILE 33 CO 0.05 0.54 0.15 -0.31 0.00 0.00 0.00 174.94 175.37 3df9 s TYR 34 N 0.83 3.17 0.29 3.97 1.51 0.60 -0.00 117.35 127.71 3df9 s TYR 34 Ca -0.06 -0.49 0.06 0.00 -1.01 0.00 0.00 57.07 55.57 3df9 s TYR 34 Cb -0.15 -2.35 -0.03 0.00 -0.11 0.00 0.00 41.96 39.32 3df9 s TYR 34 CO -0.02 -0.42 0.33 0.95 -1.11 0.00 0.00 175.55 175.28 3df9 s THR 35 N 1.63 4.41 -3.70 -0.71 -4.23 -0.32 -0.25 115.64 112.48 3df9 s THR 35 Ca 0.05 -1.18 0.00 0.00 -1.18 0.00 0.00 61.69 59.38 3df9 s THR 35 Cb -0.17 -3.50 0.00 0.00 1.34 0.00 0.00 72.50 70.18 3df9 s THR 35 CO 0.06 -0.26 0.00 0.61 -0.54 0.00 0.00 174.62 174.49 3df9 n GLY 36 N -1.40 0.61 3.21 3.99 0.00 -1.11 -1.84 105.19 108.65 3df9 n GLY 36 Ca -0.05 -1.71 -0.28 0.00 0.00 0.00 0.00 46.02 43.98 3df9 n GLY 36 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 3df9 s GLN 37 N -1.49 1.87 -0.33 1.61 -0.21 -0.06 -0.73 119.66 120.32 3df9 s GLN 37 Ca 0.00 -0.75 -0.02 0.00 0.02 0.00 0.00 55.36 54.61 3df9 s GLN 37 Cb 0.00 -1.72 0.06 0.00 1.00 0.00 0.00 33.01 32.36 3df9 s GLN 37 CO 0.00 0.39 0.06 -1.17 -2.12 0.00 0.00 175.29 172.45 3df9 s LEU 38 N -0.31 4.28 -1.47 2.90 2.96 0.37 -1.02 118.68 126.39 3df9 s LEU 38 Ca 0.03 -1.45 -0.05 0.00 -0.22 0.00 0.00 54.13 52.43 3df9 s LEU 38 Cb -0.10 -1.75 0.04 0.00 0.50 0.00 0.00 46.19 44.88 3df9 s LEU 38 CO 0.01 -0.34 0.58 0.59 -1.32 0.00 0.00 176.35 175.87 3df9 n ASN 39 N 4.63 -1.46 0.00 3.68 3.02 -1.26 -1.77 115.26 122.09 3df9 n ASN 39 Ca -0.10 -0.97 0.00 0.00 -0.03 0.00 0.00 54.58 53.48 3df9 n ASN 39 Cb 0.43 -3.17 0.00 0.00 -0.61 0.00 0.00 39.78 36.43 3df9 n ASN 39 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 3df9 n GLY 40 N -1.80 0.51 3.49 7.41 0.00 -1.26 -5.00 105.19 108.54 3df9 n GLY 40 Ca -0.19 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.49 3df9 n GLY 40 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3df9 s THR 41 N -2.22 3.77 0.12 2.61 2.01 -0.73 -5.05 115.64 116.15 3df9 s THR 41 Ca 0.00 -0.41 -0.31 0.00 0.31 0.00 0.00 61.69 61.28 3df9 s THR 41 Cb 0.00 -2.64 -0.10 0.00 0.01 0.00 0.00 72.50 69.78 3df9 s THR 41 CO 0.00 0.50 1.73 -0.70 -0.69 0.00 0.00 174.62 175.47 3df9 s GLU 42 N 0.28 4.16 0.18 4.92 2.56 -1.26 -0.48 118.70 129.07 3df9 s GLU 42 Ca -0.04 2.48 0.03 0.00 0.00 0.00 0.00 54.97 57.44 3df9 s GLU 42 Cb -0.14 -3.51 -0.05 0.00 2.00 0.00 0.00 34.13 32.43 3df9 s GLU 42 CO 0.03 -0.77 -0.02 0.14 -0.56 0.00 0.00 175.26 174.08 3df9 s VAL 43 N 2.41 0.86 -0.15 3.70 -7.23 0.09 -1.13 120.40 118.96 3df9 s VAL 43 Ca 0.77 -2.01 -0.04 0.00 -1.81 0.00 0.00 61.98 58.89 3df9 s VAL 43 Cb -0.44 -2.13 0.05 0.00 0.56 0.00 0.00 36.38 34.42 3df9 s VAL 43 CO 0.34 -0.48 0.07 0.00 -0.31 0.00 0.00 175.10 174.72 3df9 s ALA 44 N -3.54 0.50 -0.35 1.32 0.00 -0.64 -2.75 121.76 116.31 3df9 s ALA 44 Ca 0.24 -0.28 -0.11 0.00 0.00 0.00 0.00 51.96 51.81 3df9 s ALA 44 Cb 0.05 -0.97 0.01 0.00 0.00 0.00 0.00 23.12 22.21 3df9 s ALA 44 CO 0.05 -1.02 0.20 -1.17 0.00 0.00 0.00 175.76 173.81 3df9 s LEU 45 N 2.09 4.50 -0.19 0.00 2.96 0.66 -1.27 118.68 127.43 3df9 s LEU 45 Ca 0.02 -0.75 -0.14 0.00 -0.22 0.00 0.00 54.13 53.05 3df9 s LEU 45 Cb -0.15 -2.04 -0.04 0.00 0.50 0.00 0.00 46.19 44.45 3df9 s LEU 45 CO -0.08 -0.30 0.30 -0.22 -1.32 0.00 0.00 176.35 174.73 3df9 s LEU 46 N 1.60 4.19 -0.46 -0.68 2.96 0.14 -0.30 118.68 126.14 3df9 s LEU 46 Ca 0.04 0.42 -0.18 0.00 -0.22 0.00 0.00 54.13 54.19 3df9 s LEU 46 Cb -0.18 -2.36 0.04 0.00 0.50 0.00 0.00 46.19 44.19 3df9 s LEU 46 CO 0.07 0.04 0.54 -0.75 -1.32 0.00 0.00 176.35 174.92 3df9 s LYS 47 N 0.86 3.13 -0.02 1.98 2.20 -0.51 -1.13 119.74 126.25 3df9 s LYS 47 Ca 0.15 -0.77 0.11 0.00 -0.36 0.00 0.00 55.97 55.10 3df9 s LYS 47 Cb -0.14 -4.02 -0.23 0.00 -1.51 0.00 0.00 37.83 31.94 3df9 s LYS 47 CO 0.05 -1.02 0.76 0.66 -0.36 0.00 0.00 175.35 175.45 3df9 h SER 48 N 8.85 0.02 -4.53 1.43 4.64 -1.19 -3.20 113.55 119.56 3df9 h SER 48 Ca -0.27 -0.05 0.00 0.00 -0.47 0.00 0.00 61.79 61.01 3df9 h SER 48 Cb 1.10 -0.01 0.00 0.00 -0.31 0.00 0.00 62.40 63.18 3df9 h SER 48 CO 0.87 1.04 0.00 0.61 -0.87 0.00 0.00 176.83 178.49 3df9 n GLY 49 N 1.54 -0.26 3.81 -0.77 0.00 -0.65 -4.49 105.19 104.37 3df9 n GLY 49 Ca -0.14 -1.80 -0.38 0.00 0.00 0.00 0.00 46.02 43.70 3df9 n GLY 49 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3df9 s ILE 50 N -1.64 5.14 0.00 -0.61 1.01 -1.26 -4.42 121.20 119.42 3df9 s ILE 50 Ca 0.00 0.74 0.00 0.00 0.00 0.00 0.00 60.65 61.39 3df9 s ILE 50 Cb 0.00 -3.68 0.00 0.00 0.01 0.00 0.00 42.46 38.79 3df9 s ILE 50 CO 0.00 0.52 0.00 0.61 0.00 0.00 0.00 174.94 176.07 3df9 n GLY 51 N 2.25 1.16 0.16 6.18 0.00 -1.25 -4.51 105.19 109.19 3df9 n GLY 51 Ca -0.13 -2.02 -0.12 0.00 0.00 0.00 0.00 46.02 43.74 3df9 n GLY 51 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3df9 h LYS 52 N 0.00 0.48 -0.10 1.61 1.57 -1.82 -1.91 116.57 116.39 3df9 h LYS 52 Ca 0.00 -0.20 -0.03 0.00 -1.87 0.00 0.00 60.65 58.56 3df9 h LYS 52 Cb 0.00 -0.02 -0.00 0.00 0.08 0.00 0.00 32.23 32.29 3df9 h LYS 52 CO 0.00 0.73 -0.04 0.28 -0.57 0.00 0.00 179.45 179.84 3df9 h VAL 53 N 0.21 1.31 -0.49 0.50 2.07 -1.90 0.11 116.25 118.06 3df9 h VAL 53 Ca 0.06 -1.05 0.10 0.00 0.82 0.00 0.00 66.70 66.63 3df9 h VAL 53 Cb 0.57 1.80 -0.10 0.00 -1.52 0.00 0.00 31.29 32.04 3df9 h VAL 53 CO 0.03 0.30 -0.15 0.00 0.02 0.00 0.00 177.57 177.76 3df9 h ALA 54 N 0.65 0.27 -0.63 1.67 0.00 -1.79 0.08 119.26 119.51 3df9 h ALA 54 Ca 0.02 0.19 -0.00 0.00 0.00 0.00 0.00 54.91 55.12 3df9 h ALA 54 Cb 0.49 0.43 -0.03 0.00 0.00 0.00 0.00 17.79 18.67 3df9 h ALA 54 CO 0.01 -0.48 0.38 0.00 0.00 0.00 0.00 179.25 179.17 3df9 h ALA 55 N 1.40 0.80 -0.20 0.00 0.00 -1.15 -0.55 119.26 119.56 3df9 h ALA 55 Ca 0.23 -0.07 -0.04 0.00 0.00 0.00 0.00 54.91 55.03 3df9 h ALA 55 Cb 0.40 -0.25 -0.01 0.00 0.00 0.00 0.00 17.79 17.93 3df9 h ALA 55 CO -0.52 0.27 -0.05 0.00 0.00 0.00 0.00 179.25 178.95 3df9 h ALA 56 N 1.19 0.28 0.24 0.00 0.00 -0.51 0.15 119.26 120.61 3df9 h ALA 56 Ca 0.22 -0.25 0.01 0.00 0.00 0.00 0.00 54.91 54.89 3df9 h ALA 56 Cb -0.03 -0.07 -0.02 0.00 0.00 0.00 0.00 17.79 17.67 3df9 h ALA 56 CO -0.04 0.05 -0.28 1.25 0.00 0.00 0.00 179.25 180.24 3df9 h LEU 57 N 0.11 -0.75 -0.12 0.00 6.46 -0.92 -0.73 115.31 119.36 3df9 h LEU 57 Ca 0.05 0.07 0.03 0.00 -0.12 0.00 0.00 57.88 57.92 3df9 h LEU 57 Cb 0.49 0.26 -0.03 0.00 -0.73 0.00 0.00 40.66 40.65 3df9 h LEU 57 CO 0.02 -0.39 -0.08 1.23 -0.62 0.00 0.00 178.44 178.60 3df9 h GLY 58 N -0.56 0.02 0.86 3.75 0.00 -0.98 -1.96 103.07 104.20 3df9 h GLY 58 Ca 0.00 0.10 0.04 0.00 0.00 0.00 0.00 47.33 47.47 3df9 h GLY 58 CO -0.08 -0.10 0.64 0.00 0.00 0.00 0.00 176.54 177.00 3df9 h ALA 59 N 1.01 1.30 -0.14 3.60 0.00 -0.58 0.46 119.26 124.92 3df9 h ALA 59 Ca 0.08 -0.04 -0.00 0.00 0.00 0.00 0.00 54.91 54.94 3df9 h ALA 59 Cb 0.20 -0.34 -0.01 0.00 0.00 0.00 0.00 17.79 17.63 3df9 h ALA 59 CO -0.17 0.52 0.08 1.15 0.00 0.00 0.00 179.25 180.83 3df9 h THR 60 N 1.23 1.08 -0.56 0.00 2.02 -0.85 -0.87 112.91 114.96 3df9 h THR 60 Ca 0.39 -0.20 0.01 0.00 0.77 0.00 0.00 66.41 67.39 3df9 h THR 60 Cb 0.02 0.96 -0.03 0.00 -1.74 0.00 0.00 68.15 67.35 3df9 h THR 60 CO -0.13 0.07 0.36 -0.07 0.37 0.00 0.00 175.52 176.12 3df9 h LEU 61 N 0.15 0.60 -0.36 2.58 3.38 -0.87 -1.50 115.31 119.29 3df9 h LEU 61 Ca 0.05 -0.01 -0.00 0.00 0.09 0.00 0.00 57.88 58.01 3df9 h LEU 61 Cb 0.04 -0.14 -0.02 0.00 0.09 0.00 0.00 40.66 40.63 3df9 h LEU 61 CO -0.01 0.43 0.22 0.25 0.09 0.00 0.00 178.44 179.42 3df9 h LEU 62 N 0.72 0.43 -0.19 1.67 5.85 -0.70 -0.05 115.31 123.04 3df9 h LEU 62 Ca 0.21 -0.05 -0.01 0.00 0.84 0.00 0.00 57.88 58.87 3df9 h LEU 62 Cb -0.04 -0.11 -0.01 0.00 0.37 0.00 0.00 40.66 40.87 3df9 h LEU 62 CO -0.07 0.35 0.06 -0.07 -0.34 0.00 0.00 178.44 178.38 3df9 h LEU 63 N 0.47 0.27 -0.57 2.25 3.38 -1.02 -0.30 115.31 119.79 3df9 h LEU 63 Ca 0.13 -0.19 -0.07 0.00 0.09 0.00 0.00 57.88 57.83 3df9 h LEU 63 Cb 0.00 -0.07 -0.02 0.00 0.09 0.00 0.00 40.66 40.66 3df9 h LEU 63 CO -0.02 0.39 0.07 -0.33 0.09 0.00 0.00 178.44 178.63 3df9 h GLU 64 N 0.13 0.95 0.00 1.13 4.39 -1.14 -0.65 114.58 119.39 3df9 h GLU 64 Ca 0.06 -0.27 -0.27 0.00 0.34 0.00 0.00 59.36 59.23 3df9 h GLU 64 Cb 0.21 -0.10 -0.05 0.00 -0.10 0.00 0.00 28.75 28.71 3df9 h GLU 64 CO -0.00 0.93 -1.60 0.45 -1.16 0.00 0.00 179.01 177.63 3df9 h HIS 65 N 0.85 0.00 0.00 4.33 3.86 -1.01 -3.41 115.15 119.77 3df9 h HIS 65 Ca 0.17 0.00 -0.02 0.00 -1.16 0.00 0.00 60.37 59.36 3df9 h HIS 65 Cb 0.45 0.00 -0.00 0.00 1.06 0.00 0.00 27.41 28.92 3df9 h HIS 65 CO 0.03 0.94 -1.33 0.00 0.86 0.00 0.00 177.93 178.43 3df9 n LYS 67 N -1.81 -1.29 -1.30 0.00 5.02 -0.25 -4.93 118.16 113.60 3df9 n LYS 67 Ca -0.03 0.33 -0.32 0.00 -2.02 0.00 0.00 58.31 56.27 3df9 n LYS 67 Cb 0.25 -3.74 0.10 0.00 -0.02 0.00 0.00 35.03 31.62 3df9 n LYS 67 CO 0.00 0.00 0.00 -1.25 -0.52 0.00 0.00 177.40 175.63 3df9 s PRO 68 N -6.52 2.09 0.12 1.97 0.04 -1.26 -4.91 135.00 126.53 3df9 s PRO 68 Ca 0.39 1.46 -0.05 0.00 0.04 0.00 0.00 61.00 62.84 3df9 s PRO 68 Cb -0.16 -1.86 -0.12 0.00 0.04 0.00 0.00 34.50 32.40 3df9 s PRO 68 CO 0.90 -1.81 1.28 -0.44 0.04 0.00 0.00 177.00 176.97 3df9 h ASP 69 N -0.79 0.56 -5.41 6.66 5.19 -0.86 -3.48 116.42 118.30 3df9 h ASP 69 Ca -0.45 -0.46 -0.17 0.00 -0.62 0.00 0.00 57.03 55.33 3df9 h ASP 69 Cb 1.26 -0.17 -0.14 0.00 0.18 0.00 0.00 39.33 40.45 3df9 h ASP 69 CO 0.49 1.26 -0.55 0.68 -3.12 0.00 0.00 179.24 178.00 3df9 s VAL 70 N -3.23 0.08 -0.07 -1.35 -7.23 -1.25 -4.25 120.40 103.09 3df9 s VAL 70 Ca -0.06 -1.79 0.03 0.00 -1.81 0.00 0.00 61.98 58.35 3df9 s VAL 70 Cb 0.08 -2.07 0.00 0.00 0.56 0.00 0.00 36.38 34.96 3df9 s VAL 70 CO 0.87 -0.35 -0.18 -0.63 -0.31 0.00 0.00 175.10 174.51 3df9 s ILE 71 N -4.05 1.55 -0.21 -0.62 -1.09 -0.25 -0.96 121.20 115.57 3df9 s ILE 71 Ca 0.25 -0.74 -0.02 0.00 -2.23 0.00 0.00 60.65 57.90 3df9 s ILE 71 Cb 0.06 -1.36 0.00 0.00 -1.58 0.00 0.00 42.46 39.58 3df9 s ILE 71 CO 0.03 0.45 -0.09 -0.63 -1.23 0.00 0.00 174.94 173.47 3df9 s ILE 72 N 0.39 2.97 -0.29 2.92 1.01 0.57 -1.82 121.20 126.95 3df9 s ILE 72 Ca -0.13 -0.66 -0.17 0.00 0.00 0.00 0.00 60.65 59.68 3df9 s ILE 72 Cb -0.16 -2.35 -0.02 0.00 0.01 0.00 0.00 42.46 39.94 3df9 s ILE 72 CO 0.05 0.43 0.46 0.21 0.00 0.00 0.00 174.94 176.09 3df9 s ASN 73 N 1.41 6.33 0.52 3.58 3.04 -0.56 -0.74 114.94 128.52 3df9 s ASN 73 Ca 0.05 0.27 0.04 0.00 0.04 0.00 0.00 52.86 53.26 3df9 s ASN 73 Cb -0.14 -2.25 0.01 0.00 -1.54 0.00 0.00 41.25 37.33 3df9 s ASN 73 CO -0.06 -0.30 0.25 0.28 -3.04 0.00 0.00 177.10 174.23 3df9 s THR 74 N 2.24 1.57 -1.98 -5.21 -1.32 -0.21 -1.04 115.64 109.68 3df9 s THR 74 Ca 0.18 -1.67 0.00 0.00 -1.21 0.00 0.00 61.69 58.99 3df9 s THR 74 Cb -0.16 -2.25 0.00 0.00 -1.51 0.00 0.00 72.50 68.59 3df9 s THR 74 CO 0.11 0.00 0.00 0.61 -2.21 0.00 0.00 174.62 173.13 3df9 n GLY 75 N -1.55 0.69 3.94 6.08 0.00 -1.26 -4.49 105.19 108.60 3df9 n GLY 75 Ca -0.07 -2.13 -0.26 0.00 0.00 0.00 0.00 46.02 43.56 3df9 n GLY 75 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3df9 s SER 76 N -4.00 4.63 0.02 1.61 1.04 -1.26 -1.18 113.70 114.55 3df9 s SER 76 Ca 0.00 0.32 -0.27 0.00 0.48 0.00 0.00 55.95 56.48 3df9 s SER 76 Cb 0.00 -0.90 0.07 0.00 0.10 0.00 0.00 66.02 65.29 3df9 s SER 76 CO 0.00 -1.71 0.62 0.00 0.98 0.00 0.00 173.24 173.14 3df9 s ALA 77 N -3.27 -1.63 -0.18 5.32 0.00 -0.53 -4.65 121.76 116.83 3df9 s ALA 77 Ca 0.62 0.97 -0.24 0.00 0.00 0.00 0.00 51.96 53.31 3df9 s ALA 77 Cb -0.09 0.28 -0.02 0.00 0.00 0.00 0.00 23.12 23.29 3df9 s ALA 77 CO 0.45 -0.49 0.78 0.20 0.00 0.00 0.00 175.76 176.71 3df9 s GLY 78 N -1.70 2.06 0.20 0.00 0.00 -0.06 -1.74 107.32 106.08 3df9 s GLY 78 Ca -0.07 -0.06 -0.30 0.00 0.00 0.00 0.00 44.72 44.29 3df9 s GLY 78 CO 0.02 1.60 1.06 -0.32 0.00 0.00 0.00 173.10 175.46 3df9 s GLY 79 N 1.19 2.94 0.00 0.20 0.00 0.23 -0.97 107.32 110.90 3df9 s GLY 79 Ca 0.36 0.78 0.00 0.00 0.00 0.00 0.00 44.72 45.85 3df9 s GLY 79 CO 0.11 1.55 0.00 1.04 0.00 0.00 0.00 173.10 175.80 3df9 n LEU 80 N 2.09 0.03 -4.73 0.66 4.77 0.02 -4.20 117.00 115.64 3df9 n LEU 80 Ca 0.01 0.00 -0.42 0.00 -0.03 0.00 0.00 56.01 55.58 3df9 n LEU 80 Cb 0.46 0.00 -0.03 0.00 -2.33 0.00 0.00 43.42 41.52 3df9 n LEU 80 CO 0.53 0.01 1.06 0.00 -1.33 0.00 0.00 177.39 177.66 3df9 s ALA 81 N -1.96 3.60 0.55 -1.18 0.00 -0.86 -4.93 121.76 116.97 3df9 s ALA 81 Ca 0.00 1.17 0.30 0.00 0.00 0.00 0.00 51.96 53.43 3df9 s ALA 81 Cb 0.00 -3.53 1.46 0.00 0.00 0.00 0.00 23.12 21.05 3df9 s ALA 81 CO 0.00 -0.63 1.91 -1.00 0.00 0.00 0.00 175.76 176.05 3df9 h PRO 82 N 6.06 0.00 -0.10 0.00 0.13 -1.95 -1.98 132.00 134.15 3df9 h PRO 82 Ca -0.44 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.69 3df9 h PRO 82 Cb 1.21 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.34 3df9 h PRO 82 CO 0.83 0.00 0.00 0.25 -0.23 0.00 0.00 178.00 178.85 3df9 n THR 83 N -4.15 0.11 -2.72 1.56 -2.24 -1.26 -4.92 114.28 100.65 3df9 n THR 83 Ca 0.14 -0.39 -0.41 0.00 -2.27 0.00 0.00 64.05 61.12 3df9 n THR 83 Cb 0.81 0.75 -0.04 0.00 -2.10 0.00 0.00 70.33 69.75 3df9 n THR 83 CO 0.00 0.00 0.00 -0.76 -0.57 0.00 0.00 175.07 173.74 3df9 s LEU 84 N -1.83 4.48 0.28 3.22 1.43 -0.75 -5.03 118.68 120.48 3df9 s LEU 84 Ca 0.34 1.78 0.10 0.00 -1.03 0.00 0.00 54.13 55.33 3df9 s LEU 84 Cb 0.20 -3.59 -0.05 0.00 0.03 0.00 0.00 46.19 42.78 3df9 s LEU 84 CO 0.31 -0.09 -0.16 -0.54 0.23 0.00 0.00 176.35 176.10 3df9 s LYS 85 N 0.11 1.63 0.24 1.70 1.02 -1.26 -5.01 119.74 118.18 3df9 s LYS 85 Ca 0.48 -1.77 -0.31 0.00 0.02 0.00 0.00 55.97 54.39 3df9 s LYS 85 Cb -0.23 -1.59 -0.14 0.00 -0.52 0.00 0.00 37.83 35.35 3df9 s LYS 85 CO 0.30 0.25 1.25 0.28 -0.92 0.00 0.00 175.35 176.50 3df9 n VAL 86 N -0.60 1.27 0.00 3.17 0.31 -1.26 -1.62 118.33 119.60 3df9 n VAL 86 Ca -0.06 -0.32 0.00 0.00 -0.01 0.00 0.00 64.34 63.96 3df9 n VAL 86 Cb 0.61 -1.22 0.00 0.00 -0.91 0.00 0.00 33.84 32.32 3df9 n VAL 86 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 3df9 n GLY 87 N 1.76 3.22 3.76 2.92 0.00 0.10 -4.93 105.19 112.03 3df9 n GLY 87 Ca 0.11 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.81 3df9 n GLY 87 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 3df9 s ASP 88 N -0.85 4.68 -0.07 1.61 1.01 -0.64 -4.49 116.67 117.92 3df9 s ASP 88 Ca 0.00 1.95 -0.14 0.00 0.71 0.00 0.00 52.55 55.07 3df9 s ASP 88 Cb 0.00 -2.54 -0.05 0.00 1.01 0.00 0.00 42.92 41.34 3df9 s ASP 88 CO 0.00 -1.92 0.35 -0.63 0.21 0.00 0.00 175.17 173.19 3df9 s ILE 89 N -2.58 5.18 -0.09 0.77 -1.09 -0.69 -0.65 121.20 122.04 3df9 s ILE 89 Ca 0.65 0.70 0.03 0.00 -2.23 0.00 0.00 60.65 59.80 3df9 s ILE 89 Cb -0.20 -3.66 -0.01 0.00 -1.58 0.00 0.00 42.46 37.01 3df9 s ILE 89 CO 0.49 0.51 -0.18 0.68 -1.23 0.00 0.00 174.94 175.21 3df9 s VAL 90 N -0.51 2.66 -0.15 2.92 -7.23 0.36 -1.49 120.40 116.95 3df9 s VAL 90 Ca 0.21 -0.83 0.02 0.00 -1.81 0.00 0.00 61.98 59.56 3df9 s VAL 90 Cb -0.15 -2.05 0.01 0.00 0.56 0.00 0.00 36.38 34.74 3df9 s VAL 90 CO 0.10 0.56 -0.19 -0.69 -0.31 0.00 0.00 175.10 174.56 3df9 s VAL 91 N -0.03 2.31 0.07 1.32 1.01 -0.36 -1.54 120.40 123.17 3df9 s VAL 91 Ca -0.05 -0.89 -0.31 0.00 0.00 0.00 0.00 61.98 60.73 3df9 s VAL 91 Cb -0.14 -1.95 -0.06 0.00 0.00 0.00 0.00 36.38 34.22 3df9 s VAL 91 CO 0.04 0.53 1.32 -0.94 0.00 0.00 0.00 175.10 176.06 3df9 s SER 92 N 0.83 6.93 0.03 3.32 1.04 -0.76 -0.75 113.70 124.34 3df9 s SER 92 Ca -0.06 2.16 0.24 0.00 0.48 0.00 0.00 55.95 58.77 3df9 s SER 92 Cb -0.15 -2.58 0.35 0.00 0.10 0.00 0.00 66.02 63.74 3df9 s SER 92 CO -0.01 -0.60 1.30 -0.90 0.98 0.00 0.00 173.24 174.01 3df9 n ASP 93 N 4.24 0.59 -3.57 7.02 5.68 -0.33 -4.60 116.55 125.57 3df9 n ASP 93 Ca 0.11 -0.25 -0.09 0.00 -0.50 0.00 0.00 54.79 54.06 3df9 n ASP 93 Cb 0.44 0.38 -0.05 0.00 -1.14 0.00 0.00 41.12 40.76 3df9 n ASP 93 CO 0.00 0.00 0.00 -0.70 -1.33 0.00 0.00 177.20 175.17 3df9 s GLU 94 N -3.06 0.56 -0.03 0.11 2.12 -1.25 -1.07 118.70 116.09 3df9 s GLU 94 Ca 0.09 0.07 0.04 0.00 0.36 0.00 0.00 54.97 55.52 3df9 s GLU 94 Cb 0.16 0.26 -0.00 0.00 0.26 0.00 0.00 34.13 34.81 3df9 s GLU 94 CO 0.73 -0.19 -0.13 0.00 -0.54 0.00 0.00 175.26 175.13 3df9 s ALA 95 N -1.40 1.18 0.01 6.30 0.00 -0.18 -1.97 121.76 125.70 3df9 s ALA 95 Ca 0.01 -0.53 0.01 0.00 0.00 0.00 0.00 51.96 51.45 3df9 s ALA 95 Cb -0.01 -0.38 -0.01 0.00 0.00 0.00 0.00 23.12 22.72 3df9 s ALA 95 CO -0.01 0.23 -0.05 1.03 0.00 0.00 0.00 175.76 176.96 3df9 s ARG 96 N 0.01 0.36 0.02 0.00 0.52 -0.93 -0.86 118.95 118.06 3df9 s ARG 96 Ca -0.01 -0.36 -0.30 0.00 -0.52 0.00 0.00 55.73 54.53 3df9 s ARG 96 Cb -0.09 -0.23 -0.06 0.00 0.52 0.00 0.00 34.95 35.09 3df9 s ARG 96 CO 0.01 0.05 1.42 0.71 0.02 0.00 0.00 175.30 177.51 3df9 s TYR 97 N -0.62 2.86 -0.74 -0.53 1.51 -1.25 -0.96 117.35 117.62 3df9 s TYR 97 Ca -0.04 0.79 0.25 0.00 -1.01 0.00 0.00 57.07 57.06 3df9 s TYR 97 Cb -0.05 -3.69 0.51 0.00 -0.11 0.00 0.00 41.96 38.62 3df9 s TYR 97 CO -0.00 -2.56 1.45 -2.39 -1.11 0.00 0.00 175.55 170.94 3df9 n HIS 98 N 5.22 0.48 -0.59 2.71 1.44 -0.20 -4.14 115.22 120.15 3df9 n HIS 98 Ca 0.13 0.14 0.07 0.00 -2.01 0.00 0.00 57.72 56.05 3df9 n HIS 98 Cb 0.43 -0.62 0.21 0.00 0.12 0.00 0.00 29.99 30.13 3df9 n HIS 98 CO 0.00 0.00 0.00 -0.40 -2.81 0.00 0.00 176.34 173.13 3df9 n ASP 99 N -1.99 3.43 -4.69 4.39 5.75 -1.25 -4.87 116.55 117.32 3df9 n ASP 99 Ca 0.04 -2.51 -0.35 0.00 -0.01 0.00 0.00 54.79 51.96 3df9 n ASP 99 Cb 0.41 -0.39 -0.09 0.00 -1.03 0.00 0.00 41.12 40.03 3df9 n ASP 99 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 3df9 s ALA 100 N -1.92 3.55 -0.32 2.12 0.00 -1.26 -5.04 121.76 118.90 3df9 s ALA 100 Ca 0.33 -0.72 -0.00 0.00 0.00 0.00 0.00 51.96 51.57 3df9 s ALA 100 Cb 0.23 -2.02 0.13 0.00 0.00 0.00 0.00 23.12 21.47 3df9 s ALA 100 CO 0.12 0.21 0.26 0.34 0.00 0.00 0.00 175.76 176.69 3df9 s ASP 101 N 0.25 2.20 -0.28 0.00 3.68 -1.26 -0.69 116.67 120.57 3df9 s ASP 101 Ca 0.06 -1.35 0.08 0.00 2.13 0.00 0.00 52.55 53.47 3df9 s ASP 101 Cb -0.12 0.17 0.45 0.00 -1.45 0.00 0.00 42.92 41.97 3df9 s ASP 101 CO -0.01 -0.35 1.19 1.33 0.13 0.00 0.00 175.17 177.46 3df9 n VAL 102 N 4.79 2.46 0.27 1.11 0.24 -1.26 -4.78 118.33 121.17 3df9 n VAL 102 Ca 0.03 -4.06 0.14 0.00 -2.04 0.00 0.00 64.34 58.41 3df9 n VAL 102 Cb 0.43 -0.98 0.77 0.00 -1.47 0.00 0.00 33.84 32.60 3df9 n VAL 102 CO 0.00 0.00 0.00 0.71 -2.14 0.00 0.00 176.83 175.40 3df9 h THR 103 N 2.07 0.43 -0.23 3.34 1.35 -1.85 -1.87 112.91 116.14 3df9 h THR 103 Ca 0.31 -0.49 0.07 0.00 -0.55 0.00 0.00 66.41 65.75 3df9 h THR 103 Cb 1.46 1.34 -0.01 0.00 -1.73 0.00 0.00 68.15 69.21 3df9 h THR 103 CO 0.65 0.09 0.28 0.00 -0.25 0.00 0.00 175.52 176.29 3df9 h ALA 104 N 1.91 1.85 -0.28 6.62 0.00 -1.87 -0.80 119.26 126.67 3df9 h ALA 104 Ca -0.00 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.90 3df9 h ALA 104 Cb 0.33 0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.14 3df9 h ALA 104 CO 0.01 -0.40 0.00 1.19 0.00 0.00 0.00 179.25 180.05 3df9 n PHE 105 N -3.69 0.74 -0.61 0.00 3.01 -0.71 -4.98 117.46 111.22 3df9 n PHE 105 Ca 0.03 -0.73 0.00 0.00 1.01 0.00 0.00 57.45 57.76 3df9 n PHE 105 Cb 0.41 -0.20 0.00 0.00 -0.01 0.00 0.00 39.48 39.68 3df9 n PHE 105 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 3df9 n GLY 106 N -0.14 0.68 3.85 1.37 0.00 -0.31 -5.06 105.19 105.58 3df9 n GLY 106 Ca 0.17 -0.15 -0.31 0.00 0.00 0.00 0.00 46.02 45.73 3df9 n GLY 106 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 3df9 s TYR 107 N -2.00 3.48 0.47 1.61 2.02 -1.19 -5.00 117.35 116.74 3df9 s TYR 107 Ca 0.00 1.34 -0.23 0.00 -0.37 0.00 0.00 57.07 57.81 3df9 s TYR 107 Cb 0.00 -2.69 -0.07 0.00 -0.40 0.00 0.00 41.96 38.80 3df9 s TYR 107 CO 0.00 -0.34 1.25 -2.00 -1.57 0.00 0.00 175.55 172.89 3df9 s GLU 108 N -4.14 3.61 0.15 -0.62 2.12 -1.26 -4.01 118.70 114.55 3df9 s GLU 108 Ca 0.56 1.99 -0.34 0.00 0.36 0.00 0.00 54.97 57.54 3df9 s GLU 108 Cb -0.10 -2.43 -0.15 0.00 0.26 0.00 0.00 34.13 31.71 3df9 s GLU 108 CO 0.34 -0.73 1.38 0.98 -0.54 0.00 0.00 175.26 176.68 3df9 n TYR 109 N -0.52 1.79 -0.49 5.30 4.19 -1.26 -1.13 117.16 125.03 3df9 n TYR 109 Ca 0.07 0.51 0.00 0.00 3.31 0.00 0.00 57.90 61.80 3df9 n TYR 109 Cb 0.46 -2.40 0.00 0.00 0.49 0.00 0.00 39.34 37.89 3df9 n TYR 109 CO 0.00 0.00 0.00 0.41 0.91 0.00 0.00 176.86 178.18 3df9 n GLY 110 N 2.58 1.72 3.78 2.98 0.00 0.13 -5.02 105.19 111.36 3df9 n GLY 110 Ca 0.16 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.79 3df9 n GLY 110 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 3df9 s GLN 111 N -0.11 4.26 0.03 1.61 0.74 -0.28 -3.90 119.66 122.01 3df9 s GLN 111 Ca 0.00 0.70 0.02 0.00 0.05 0.00 0.00 55.36 56.12 3df9 s GLN 111 Cb 0.00 -3.31 -0.04 0.00 1.10 0.00 0.00 33.01 30.76 3df9 s GLN 111 CO 0.00 0.45 0.04 -0.51 -0.55 0.00 0.00 175.29 174.73 3df9 s LEU 112 N -0.46 3.69 0.33 3.68 1.43 -1.26 -4.26 118.68 121.83 3df9 s LEU 112 Ca 0.30 0.02 -0.29 0.00 -1.03 0.00 0.00 54.13 53.12 3df9 s LEU 112 Cb -0.18 -2.23 -0.11 0.00 0.03 0.00 0.00 46.19 43.70 3df9 s LEU 112 CO 0.17 0.24 1.56 -2.84 0.23 0.00 0.00 176.35 175.71 3df9 s PRO 113 N -1.89 4.10 0.00 1.29 0.02 -1.26 -1.75 135.00 135.51 3df9 s PRO 113 Ca 0.24 2.60 0.00 0.00 0.02 0.00 0.00 61.00 63.86 3df9 s PRO 113 Cb -0.12 -2.99 0.00 0.00 0.02 0.00 0.00 34.50 31.41 3df9 s PRO 113 CO 0.15 -0.61 0.00 0.41 -0.33 0.00 0.00 177.00 176.62 3df9 n GLY 114 N 1.43 1.17 3.50 0.52 0.00 -1.26 -5.04 105.19 105.50 3df9 n GLY 114 Ca 0.05 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.81 3df9 n GLY 114 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3df9 s PRO 116 N -3.03 2.45 0.36 0.00 0.04 -1.26 -4.71 135.00 128.85 3df9 s PRO 116 Ca 0.25 1.54 0.06 0.00 0.04 0.00 0.00 61.00 62.89 3df9 s PRO 116 Cb -0.07 -1.89 0.73 0.00 0.04 0.00 0.00 34.50 33.31 3df9 s PRO 116 CO 0.14 -1.55 1.94 0.00 0.04 0.00 0.00 177.00 177.57 3df9 h ALA 117 N -0.20 1.71 -2.38 8.56 0.00 -1.94 -3.43 119.26 121.57 3df9 h ALA 117 Ca -0.47 -0.02 -0.18 0.00 0.00 0.00 0.00 54.91 54.25 3df9 h ALA 117 Cb 1.27 -0.19 -0.15 0.00 0.00 0.00 0.00 17.79 18.72 3df9 h ALA 117 CO 0.52 0.16 -0.65 0.20 0.00 0.00 0.00 179.25 179.47 3df9 s GLY 118 N -3.57 0.90 -0.25 0.00 0.00 -1.26 -4.35 107.32 98.79 3df9 s GLY 118 Ca -0.10 -1.43 -0.07 0.00 0.00 0.00 0.00 44.72 43.12 3df9 s GLY 118 CO 0.78 -1.36 0.05 -1.36 0.00 0.00 0.00 173.10 171.20 3df9 s PHE 119 N -4.00 3.07 -0.08 1.90 0.08 -0.04 -4.93 117.98 113.98 3df9 s PHE 119 Ca 0.21 -0.53 -0.30 0.00 0.12 0.00 0.00 56.93 56.43 3df9 s PHE 119 Cb 0.07 -2.22 -0.02 0.00 -0.57 0.00 0.00 43.02 40.29 3df9 s PHE 119 CO -0.00 -0.40 1.04 0.15 -0.10 0.00 0.00 175.22 175.91 3df9 s LYS 120 N 1.59 4.43 0.73 0.44 1.02 -1.26 -1.01 119.74 125.68 3df9 s LYS 120 Ca 0.06 1.46 -0.13 0.00 0.02 0.00 0.00 55.97 57.38 3df9 s LYS 120 Cb -0.15 -3.53 0.04 0.00 -0.52 0.00 0.00 37.83 33.67 3df9 s LYS 120 CO 0.02 -0.30 1.13 0.00 -0.92 0.00 0.00 175.35 175.28 3df9 s ALA 121 N 1.89 2.25 0.07 5.17 0.00 -0.23 -4.81 121.76 126.10 3df9 s ALA 121 Ca 0.50 0.54 -0.31 0.00 0.00 0.00 0.00 51.96 52.70 3df9 s ALA 121 Cb -0.20 -3.35 -0.06 0.00 0.00 0.00 0.00 23.12 19.51 3df9 s ALA 121 CO 0.20 -1.66 1.22 0.34 0.00 0.00 0.00 175.76 175.86 3df9 s ASP 122 N -2.71 7.05 0.24 0.00 -1.08 0.00 -4.89 116.67 115.29 3df9 s ASP 122 Ca 0.67 2.05 -0.06 0.00 -0.52 0.00 0.00 52.55 54.69 3df9 s ASP 122 Cb -0.21 -2.58 0.26 0.00 -1.46 0.00 0.00 42.92 38.93 3df9 s ASP 122 CO 0.48 -0.48 1.91 0.44 0.52 0.00 0.00 175.17 178.03 3df9 h ASP 123 N 6.75 1.07 -0.37 -0.34 3.32 -1.93 -0.45 116.42 124.46 3df9 h ASP 123 Ca -0.42 -0.02 -0.13 0.00 0.02 0.00 0.00 57.03 56.48 3df9 h ASP 123 Cb 1.21 -0.26 -0.01 0.00 0.22 0.00 0.00 39.33 40.50 3df9 h ASP 123 CO 0.81 0.76 -0.29 0.11 -1.72 0.00 0.00 179.24 178.91 3df9 h LYS 124 N 1.25 0.85 -0.54 3.56 1.57 -1.99 0.05 116.57 121.33 3df9 h LYS 124 Ca 0.36 -0.42 0.00 0.00 -1.87 0.00 0.00 60.65 58.72 3df9 h LYS 124 Cb -0.09 0.00 -0.03 0.00 0.08 0.00 0.00 32.23 32.19 3df9 h LYS 124 CO -0.09 1.06 0.34 -0.07 -0.57 0.00 0.00 179.45 180.13 3df9 h LEU 125 N 0.66 0.63 -0.30 2.94 3.38 -1.86 -1.76 115.31 119.00 3df9 h LEU 125 Ca 0.07 -0.04 -0.00 0.00 0.09 0.00 0.00 57.88 58.00 3df9 h LEU 125 Cb 0.87 -0.16 -0.01 0.00 0.09 0.00 0.00 40.66 41.45 3df9 h LEU 125 CO 0.08 0.48 0.18 0.40 0.09 0.00 0.00 178.44 179.66 3df9 h ILE 126 N 0.73 1.11 -0.48 1.22 2.04 -0.87 -1.07 117.51 120.19 3df9 h ILE 126 Ca 0.20 -0.26 0.06 0.00 1.00 0.00 0.00 64.86 65.85 3df9 h ILE 126 Cb -0.05 0.75 -0.05 0.00 -0.74 0.00 0.00 36.82 36.72 3df9 h ILE 126 CO -0.04 0.11 0.18 0.00 0.00 0.00 0.00 178.15 178.40 3df9 h ALA 127 N 1.06 0.59 -0.69 1.87 0.00 -0.88 -0.67 119.26 120.54 3df9 h ALA 127 Ca 0.11 0.05 -0.04 0.00 0.00 0.00 0.00 54.91 55.03 3df9 h ALA 127 Cb 0.02 0.02 -0.03 0.00 0.00 0.00 0.00 17.79 17.80 3df9 h ALA 127 CO -0.02 -0.20 0.29 0.00 0.00 0.00 0.00 179.25 179.32 3df9 h ALA 128 N 1.31 0.89 -0.53 0.00 0.00 -1.15 -1.30 119.26 118.48 3df9 h ALA 128 Ca 0.23 -0.17 -0.02 0.00 0.00 0.00 0.00 54.91 54.94 3df9 h ALA 128 Cb 0.22 -0.27 -0.02 0.00 0.00 0.00 0.00 17.79 17.71 3df9 h ALA 128 CO -0.22 0.50 0.23 0.00 0.00 0.00 0.00 179.25 179.77 3df9 h ALA 129 N 1.13 0.69 -0.39 0.00 0.00 -0.83 -2.14 119.26 117.72 3df9 h ALA 129 Ca 0.23 -0.14 -0.06 0.00 0.00 0.00 0.00 54.91 54.94 3df9 h ALA 129 Cb 0.18 -0.21 -0.02 0.00 0.00 0.00 0.00 17.79 17.75 3df9 h ALA 129 CO -0.02 0.27 -0.02 0.93 0.00 0.00 0.00 179.25 180.42 3df9 h GLU 130 N 0.71 0.63 -0.19 0.00 4.39 -0.91 -0.75 114.58 118.46 3df9 h GLU 130 Ca 0.18 -0.15 -0.01 0.00 0.34 0.00 0.00 59.36 59.71 3df9 h GLU 130 Cb 0.16 -0.08 -0.01 0.00 -0.10 0.00 0.00 28.75 28.72 3df9 h GLU 130 CO -0.02 0.66 0.07 0.00 -1.16 0.00 0.00 179.01 178.56 3df9 h ALA 131 N 1.39 0.25 -0.33 3.43 0.00 -1.10 -1.64 119.26 121.27 3df9 h ALA 131 Ca 0.12 -0.12 0.05 0.00 0.00 0.00 0.00 54.91 54.96 3df9 h ALA 131 Cb 0.40 -0.07 -0.05 0.00 0.00 0.00 0.00 17.79 18.07 3df9 h ALA 131 CO 0.02 -0.14 0.05 0.00 0.00 0.00 0.00 179.25 179.17 3df9 h ILE 133 N 0.16 0.70 -0.12 0.00 2.04 -1.05 0.57 117.51 119.80 3df9 h ILE 133 Ca 0.15 -0.12 -0.01 0.00 1.00 0.00 0.00 64.86 65.88 3df9 h ILE 133 Cb 0.18 0.33 -0.01 0.00 -0.74 0.00 0.00 36.82 36.58 3df9 h ILE 133 CO -0.22 0.06 0.03 0.00 0.00 0.00 0.00 178.15 178.02 3df9 h ALA 134 N 1.46 0.16 -0.13 1.87 0.00 -0.79 -1.35 119.26 120.48 3df9 h ALA 134 Ca 0.32 -0.14 -0.04 0.00 0.00 0.00 0.00 54.91 55.05 3df9 h ALA 134 Cb 0.45 -0.05 -0.01 0.00 0.00 0.00 0.00 17.79 18.18 3df9 h ALA 134 CO -0.36 -0.20 -0.10 0.93 0.00 0.00 0.00 179.25 179.53 3df9 h GLU 135 N -0.01 0.19 -0.02 0.00 5.08 -0.57 -2.54 114.58 116.72 3df9 h GLU 135 Ca 0.04 -0.04 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 3df9 h GLU 135 Cb 0.27 -0.03 0.00 0.00 0.50 0.00 0.00 28.75 29.48 3df9 h GLU 135 CO 0.00 0.30 -0.01 1.28 -1.00 0.00 0.00 179.01 179.58 3df9 n LEU 136 N -4.33 2.03 -3.66 1.33 4.77 0.15 -4.98 117.00 112.32 3df9 n LEU 136 Ca -0.01 -0.68 -0.23 0.00 -0.03 0.00 0.00 56.01 55.06 3df9 n LEU 136 Cb 0.23 -0.00 0.06 0.00 -2.33 0.00 0.00 43.42 41.38 3df9 n LEU 136 CO 0.37 0.34 0.11 -3.20 -1.33 0.00 0.00 177.39 173.68 3df9 n ASN 137 N 0.57 -3.86 -4.86 -1.43 5.15 -0.64 -4.99 115.26 105.19 3df9 n ASN 137 Ca 0.17 -0.68 -0.33 0.00 -0.60 0.00 0.00 54.58 53.14 3df9 n ASN 137 Cb 0.44 -4.57 -0.06 0.00 -0.53 0.00 0.00 39.78 35.07 3df9 n ASN 137 CO 0.00 0.00 0.00 -0.76 1.40 0.00 0.00 177.26 177.90 3df9 s LEU 138 N -6.95 4.21 -0.27 1.20 1.43 -0.60 -5.06 118.68 112.64 3df9 s LEU 138 Ca 0.34 0.98 -0.24 0.00 -1.03 0.00 0.00 54.13 54.19 3df9 s LEU 138 Cb -0.16 -3.57 -0.00 0.00 0.03 0.00 0.00 46.19 42.48 3df9 s LEU 138 CO 0.77 -0.03 0.79 0.21 0.23 0.00 0.00 176.35 178.32 3df9 s ASN 139 N -2.16 6.73 0.10 2.29 2.47 -1.26 -4.83 114.94 118.27 3df9 s ASN 139 Ca 0.45 0.83 -0.01 0.00 0.42 0.00 0.00 52.86 54.55 3df9 s ASN 139 Cb -0.12 -2.41 -0.04 0.00 -1.45 0.00 0.00 41.25 37.23 3df9 s ASN 139 CO 0.20 -0.54 0.01 0.00 -3.72 0.00 0.00 177.10 173.05 3df9 s ALA 140 N 2.86 0.76 -0.01 1.71 0.00 -1.26 -1.71 121.76 124.10 3df9 s ALA 140 Ca 0.33 -1.37 0.01 0.00 0.00 0.00 0.00 51.96 50.93 3df9 s ALA 140 Cb -0.15 0.58 0.00 0.00 0.00 0.00 0.00 23.12 23.56 3df9 s ALA 140 CO 0.10 -0.42 -0.04 0.08 0.00 0.00 0.00 175.76 175.47 3df9 s VAL 141 N -3.96 0.36 -0.07 0.00 1.01 -0.56 -4.97 120.40 112.22 3df9 s VAL 141 Ca 0.17 -0.16 -0.00 0.00 0.00 0.00 0.00 61.98 61.98 3df9 s VAL 141 Cb 0.08 -0.33 -0.03 0.00 0.00 0.00 0.00 36.38 36.09 3df9 s VAL 141 CO -0.03 0.12 -0.04 -0.60 0.00 0.00 0.00 175.10 174.54 3df9 s ARG 142 N 0.09 2.83 0.00 2.72 3.52 -1.26 -1.23 118.95 125.62 3df9 s ARG 142 Ca -0.01 -0.50 0.00 0.00 -0.13 0.00 0.00 55.73 55.10 3df9 s ARG 142 Cb -0.04 -2.66 0.00 0.00 -1.56 0.00 0.00 34.95 30.69 3df9 s ARG 142 CO -0.00 0.68 0.00 0.41 -0.81 0.00 0.00 175.30 175.58 3df9 n GLY 143 N 2.18 -1.21 3.68 8.12 0.00 0.07 -4.88 105.19 113.15 3df9 n GLY 143 Ca -0.18 -1.14 -0.42 0.00 0.00 0.00 0.00 46.02 44.28 3df9 n GLY 143 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 3df9 s LEU 144 N 0.00 4.31 -0.16 0.99 2.96 -1.26 -1.19 118.68 124.33 3df9 s LEU 144 Ca 0.00 2.14 -0.05 0.00 -0.22 0.00 0.00 54.13 56.00 3df9 s LEU 144 Cb 0.00 -3.55 -0.03 0.00 0.50 0.00 0.00 46.19 43.10 3df9 s LEU 144 CO 0.00 -0.80 0.02 -0.63 -1.32 0.00 0.00 176.35 173.62 3df9 s ILE 145 N 2.99 4.39 -0.05 6.68 1.01 -0.83 -0.14 121.20 135.26 3df9 s ILE 145 Ca 0.66 -0.18 0.02 0.00 0.00 0.00 0.00 60.65 61.15 3df9 s ILE 145 Cb -0.32 -2.94 -0.03 0.00 0.01 0.00 0.00 42.46 39.18 3df9 s ILE 145 CO 0.26 0.50 -0.08 0.68 0.00 0.00 0.00 174.94 176.30 3df9 s VAL 146 N 0.17 3.55 0.08 2.92 -7.23 -0.65 -2.18 120.40 117.07 3df9 s VAL 146 Ca 0.02 -0.60 0.10 0.00 -1.81 0.00 0.00 61.98 59.69 3df9 s VAL 146 Cb -0.13 -2.46 -0.03 0.00 0.56 0.00 0.00 36.38 34.32 3df9 s VAL 146 CO 0.02 0.55 -0.25 -0.44 -0.31 0.00 0.00 175.10 174.67 3df9 s SER 147 N -0.93 3.33 0.31 4.85 0.01 -0.13 -1.63 113.70 119.51 3df9 s SER 147 Ca 0.13 -0.63 -0.18 0.00 1.31 0.00 0.00 55.95 56.59 3df9 s SER 147 Cb -0.11 -0.31 0.03 0.00 0.21 0.00 0.00 66.02 65.83 3df9 s SER 147 CO 0.02 0.23 0.70 -0.83 0.41 0.00 0.00 173.24 173.77 3df9 s GLY 148 N -1.61 0.18 -0.42 3.44 0.00 -0.86 -1.04 107.32 107.02 3df9 s GLY 148 Ca 0.13 -0.56 0.01 0.00 0.00 0.00 0.00 44.72 44.30 3df9 s GLY 148 CO 0.04 -0.26 1.85 1.22 0.00 0.00 0.00 173.10 175.96 3df9 n ASP 149 N -0.77 5.26 -4.00 1.64 8.00 -1.26 -4.18 116.55 121.24 3df9 n ASP 149 Ca -0.05 -3.33 -0.16 0.00 0.71 0.00 0.00 54.79 51.96 3df9 n ASP 149 Cb 0.60 -0.88 -0.14 0.00 -0.02 0.00 0.00 41.12 40.68 3df9 n ASP 149 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 3df9 s ALA 150 N -2.68 0.57 -0.17 2.24 0.00 -1.26 -5.07 121.76 115.38 3df9 s ALA 150 Ca 0.46 -0.36 -0.28 0.00 0.00 0.00 0.00 51.96 51.78 3df9 s ALA 150 Cb 0.37 -0.12 -0.00 0.00 0.00 0.00 0.00 23.12 23.37 3df9 s ALA 150 CO 0.04 0.12 0.98 0.12 0.00 0.00 0.00 175.76 177.01 3df9 s PHE 151 N -0.33 3.42 -0.03 0.00 2.19 -1.26 -4.91 117.98 117.06 3df9 s PHE 151 Ca 0.01 1.45 -0.24 0.00 0.33 0.00 0.00 56.93 58.49 3df9 s PHE 151 Cb -0.04 -3.18 -0.04 0.00 -1.31 0.00 0.00 43.02 38.45 3df9 s PHE 151 CO -0.00 -0.34 0.71 0.42 1.83 0.00 0.00 175.22 177.84 3df9 s ILE 152 N 2.56 4.94 -0.33 3.12 -1.09 -1.26 -4.97 121.20 124.17 3df9 s ILE 152 Ca 0.44 1.48 0.16 0.00 -2.23 0.00 0.00 60.65 60.51 3df9 s ILE 152 Cb -0.16 -4.05 0.45 0.00 -1.58 0.00 0.00 42.46 37.11 3df9 s ILE 152 CO 0.12 0.30 1.08 -3.20 -1.23 0.00 0.00 174.94 172.00 3df9 n ASN 153 N 3.39 0.62 0.00 3.58 4.05 -1.23 -4.45 115.26 121.22 3df9 n ASN 153 Ca -0.02 -2.57 0.00 0.00 0.45 0.00 0.00 54.58 52.44 3df9 n ASN 153 Cb 0.51 -0.14 0.00 0.00 1.23 0.00 0.00 39.78 41.38 3df9 n ASN 153 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 177.26 174.82 3df9 n GLY 154 N -0.28 0.34 7.00 8.20 0.00 0.16 -3.90 105.19 116.71 3df9 n GLY 154 Ca 0.05 -0.88 0.00 0.00 0.00 0.00 0.00 46.02 45.20 3df9 n GLY 154 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 3df9 n SER 155 N -1.75 0.00 -0.35 1.61 2.88 -1.26 -2.17 113.62 112.57 3df9 n SER 155 Ca 0.00 0.00 -0.01 0.00 -1.33 0.00 0.00 58.87 57.53 3df9 n SER 155 Cb 0.00 0.00 0.14 0.00 -0.75 0.00 0.00 64.21 63.60 3df9 n SER 155 CO 0.00 0.00 0.00 0.58 -1.23 0.00 0.00 175.04 174.39 3df9 h VAL 156 N 0.00 1.21 -0.58 2.46 2.07 -1.99 -2.23 116.25 117.20 3df9 h VAL 156 Ca 0.00 -0.44 -0.01 0.00 0.82 0.00 0.00 66.70 67.07 3df9 h VAL 156 Cb 0.00 -0.18 -0.03 0.00 -1.52 0.00 0.00 31.29 29.57 3df9 h VAL 156 CO 0.00 0.23 0.32 1.23 0.02 0.00 0.00 177.57 179.37 3df9 h GLY 157 N 1.28 0.86 0.93 2.17 0.00 -1.93 -0.83 103.07 105.54 3df9 h GLY 157 Ca 0.37 -0.39 -0.08 0.00 0.00 0.00 0.00 47.33 47.23 3df9 h GLY 157 CO -0.10 0.37 -0.11 -2.00 0.00 0.00 0.00 176.54 174.71 3df9 h LEU 158 N 0.78 0.67 -0.85 3.11 5.85 -1.32 -2.88 115.31 120.67 3df9 h LEU 158 Ca 0.20 -0.38 0.07 0.00 0.84 0.00 0.00 57.88 58.61 3df9 h LEU 158 Cb 0.04 -0.18 -0.06 0.00 0.37 0.00 0.00 40.66 40.82 3df9 h LEU 158 CO -0.03 0.90 0.52 0.00 -0.34 0.00 0.00 178.44 179.48 3df9 h ALA 159 N 0.79 1.18 -0.39 1.25 0.00 -1.09 -0.63 119.26 120.38 3df9 h ALA 159 Ca 0.08 0.00 -0.02 0.00 0.00 0.00 0.00 54.91 54.97 3df9 h ALA 159 Cb 0.62 -0.21 -0.02 0.00 0.00 0.00 0.00 17.79 18.18 3df9 h ALA 159 CO 0.04 0.24 0.16 -0.22 0.00 0.00 0.00 179.25 179.47 3df9 h LYS 160 N 0.93 0.58 -0.43 0.00 3.64 -1.10 -0.27 116.57 119.91 3df9 h LYS 160 Ca 0.38 -0.10 0.02 0.00 -1.27 0.00 0.00 60.65 59.68 3df9 h LYS 160 Cb 0.22 -0.10 -0.03 0.00 -0.41 0.00 0.00 32.23 31.91 3df9 h LYS 160 CO -0.19 0.55 0.25 0.82 -2.27 0.00 0.00 179.45 178.60 3df9 h ILE 161 N 0.49 1.03 -0.74 2.00 2.04 -1.22 -2.16 117.51 118.94 3df9 h ILE 161 Ca 0.13 -0.17 -0.02 0.00 1.00 0.00 0.00 64.86 65.80 3df9 h ILE 161 Cb 0.18 0.49 -0.04 0.00 -0.74 0.00 0.00 36.82 36.71 3df9 h ILE 161 CO -0.01 0.09 0.39 0.03 0.00 0.00 0.00 178.15 178.64 3df9 h ARG 162 N 0.50 1.04 0.40 2.37 2.47 -0.90 0.23 114.38 120.48 3df9 h ARG 162 Ca 0.18 -0.13 -0.01 0.00 -1.26 0.00 0.00 59.98 58.76 3df9 h ARG 162 Cb 0.03 -0.20 -0.00 0.00 -1.65 0.00 0.00 29.97 28.15 3df9 h ARG 162 CO -0.09 0.78 -0.24 1.25 0.56 0.00 0.00 179.97 182.23 3df9 h HIS 163 N 1.04 -0.62 0.00 3.04 2.76 -0.70 -2.72 115.15 117.94 3df9 h HIS 163 Ca 0.26 -0.01 -0.23 0.00 -2.20 0.00 0.00 60.37 58.19 3df9 h HIS 163 Cb 0.06 0.22 -0.04 0.00 1.55 0.00 0.00 27.41 29.20 3df9 h HIS 163 CO 0.01 -0.37 -1.19 -0.91 -1.30 0.00 0.00 177.93 174.16 3df9 h ASN 164 N -0.61 0.00 -2.06 3.26 2.35 -1.20 -3.40 115.58 113.92 3df9 h ASN 164 Ca -0.05 0.00 -0.54 0.00 -0.55 0.00 0.00 56.30 55.17 3df9 h ASN 164 Cb 0.50 0.00 -0.40 0.00 0.05 0.00 0.00 38.32 38.46 3df9 h ASN 164 CO 0.05 0.97 -1.02 0.49 -1.65 0.00 0.00 177.43 176.28 3df9 n PHE 165 N -3.25 0.95 0.31 1.19 3.01 0.78 -4.94 117.46 115.52 3df9 n PHE 165 Ca -0.05 -3.79 0.18 0.00 1.01 0.00 0.00 57.45 54.80 3df9 n PHE 165 Cb 0.96 -0.42 1.04 0.00 -0.01 0.00 0.00 39.48 41.05 3df9 n PHE 165 CO 0.00 0.00 0.00 -1.00 1.01 0.00 0.00 176.76 176.77 3df9 h PRO 166 N 3.50 0.00 -0.00 -1.08 0.13 -1.64 -1.26 132.00 131.65 3df9 h PRO 166 Ca 0.11 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.24 3df9 h PRO 166 Cb 0.84 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.97 3df9 h PRO 166 CO 0.57 0.00 -0.21 0.00 -0.23 0.00 0.00 178.00 178.13 3df9 n GLN 167 N -3.53 0.31 -1.88 0.86 0.00 -1.26 -4.93 117.38 106.94 3df9 n GLN 167 Ca -0.03 -0.12 -0.41 0.00 0.00 0.00 0.00 57.00 56.44 3df9 n GLN 167 Cb 0.08 -1.50 -0.02 0.00 0.00 0.00 0.00 30.24 28.80 3df9 n GLN 167 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.06 177.06 3df9 s ALA 168 N -2.78 3.68 -0.13 2.61 0.00 -0.47 -4.43 121.76 120.24 3df9 s ALA 168 Ca 0.19 1.47 0.21 0.00 0.00 0.00 0.00 51.96 53.83 3df9 s ALA 168 Cb 0.19 -3.61 -0.19 0.00 0.00 0.00 0.00 23.12 19.52 3df9 s ALA 168 CO 0.56 -0.89 0.68 0.44 0.00 0.00 0.00 175.76 176.56 3df9 n ILE 169 N 2.09 0.52 -3.49 0.00 -5.35 0.80 -4.21 119.36 109.72 3df9 n ILE 169 Ca 0.07 -0.58 -0.11 0.00 -0.27 0.00 0.00 62.75 61.86 3df9 n ILE 169 Cb 0.39 -0.27 -0.02 0.00 -1.74 0.00 0.00 39.64 37.99 3df9 n ILE 169 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 3df9 s ALA 170 N -3.28 -1.52 0.02 -1.28 0.00 -1.23 -0.80 121.76 113.68 3df9 s ALA 170 Ca -0.05 0.36 0.05 0.00 0.00 0.00 0.00 51.96 52.32 3df9 s ALA 170 Cb 0.11 0.88 -0.02 0.00 0.00 0.00 0.00 23.12 24.09 3df9 s ALA 170 CO 0.85 -0.80 -0.15 0.54 0.00 0.00 0.00 175.76 176.20 3df9 s VAL 171 N -3.77 1.19 0.00 0.00 0.11 -0.15 -1.63 120.40 116.14 3df9 s VAL 171 Ca 0.02 -0.89 0.00 0.00 -2.93 0.00 0.00 61.98 58.18 3df9 s VAL 171 Cb -0.02 -1.04 0.00 0.00 -1.53 0.00 0.00 36.38 33.80 3df9 s VAL 171 CO -0.10 0.14 0.00 -1.84 -3.33 0.00 0.00 175.10 169.96 3df9 n GLU 172 N 2.18 0.00 0.00 1.54 -0.00 -0.65 -0.88 120.64 122.83 3df9 n GLU 172 Ca -0.17 0.00 0.00 0.00 -0.00 0.00 0.00 57.16 56.99 3df9 n GLU 172 Cb 0.55 0.00 0.00 0.00 -0.00 0.00 0.00 31.44 31.99 3df9 n GLU 172 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 177.13 175.80 3df9 n MET 173 N 0.00 0.51 0.00 3.44 2.81 -1.26 -2.04 117.12 120.59 3df9 n MET 173 Ca 0.00 -0.68 0.00 0.00 -1.81 0.00 0.00 57.70 55.21 3df9 n MET 173 Cb 0.00 -0.81 0.00 0.00 -0.71 0.00 0.00 33.22 31.70 3df9 n MET 173 CO 0.00 0.00 0.00 0.39 1.51 0.00 0.00 175.97 177.87 3df9 n GLU 174 N -0.14 1.17 -0.21 0.03 4.71 -1.26 -2.76 120.64 122.18 3df9 n GLU 174 Ca 0.00 0.00 0.02 0.00 -0.01 0.00 0.00 57.16 57.17 3df9 n GLU 174 Cb 0.21 -0.60 0.13 0.00 -1.01 0.00 0.00 31.44 30.17 3df9 n GLU 174 CO 0.00 0.00 0.00 0.00 0.09 0.00 0.00 177.13 177.22 3df9 h ALA 175 N 0.00 0.81 -0.18 0.62 0.00 -1.94 -1.34 119.26 117.22 3df9 h ALA 175 Ca 0.00 0.12 -0.14 0.00 0.00 0.00 0.00 54.91 54.89 3df9 h ALA 175 Cb 0.18 0.13 -0.01 0.00 0.00 0.00 0.00 17.79 18.09 3df9 h ALA 175 CO 0.00 -0.26 -0.48 1.15 0.00 0.00 0.00 179.25 179.66 3df9 h THR 176 N 0.34 1.32 -0.70 0.00 2.02 -1.90 0.66 112.91 114.65 3df9 h THR 176 Ca 0.34 -1.70 -0.07 0.00 0.77 0.00 0.00 66.41 65.75 3df9 h THR 176 Cb 0.48 1.70 -0.03 0.00 -1.74 0.00 0.00 68.15 68.57 3df9 h THR 176 CO -0.38 0.52 0.15 0.00 0.37 0.00 0.00 175.52 176.19 3df9 h ALA 177 N 1.10 0.92 -0.22 6.16 0.00 -1.71 0.91 119.26 126.42 3df9 h ALA 177 Ca 0.02 -0.26 -0.02 0.00 0.00 0.00 0.00 54.91 54.65 3df9 h ALA 177 Cb 0.98 -0.26 -0.01 0.00 0.00 0.00 0.00 17.79 18.50 3df9 h ALA 177 CO 0.09 0.66 0.05 0.82 0.00 0.00 0.00 179.25 180.87 3df9 h ILE 178 N 1.06 1.21 -0.90 0.00 2.04 -0.84 -2.00 117.51 118.07 3df9 h ILE 178 Ca 0.22 -0.69 0.07 0.00 1.00 0.00 0.00 64.86 65.46 3df9 h ILE 178 Cb 0.39 1.24 -0.06 0.00 -0.74 0.00 0.00 36.82 37.65 3df9 h ILE 178 CO 0.01 0.22 0.58 0.00 0.00 0.00 0.00 178.15 178.96 3df9 h ALA 179 N 0.87 1.55 -0.19 1.87 0.00 -0.51 -0.92 119.26 121.92 3df9 h ALA 179 Ca 0.07 -0.02 -0.04 0.00 0.00 0.00 0.00 54.91 54.92 3df9 h ALA 179 Cb 0.28 -0.25 -0.01 0.00 0.00 0.00 0.00 17.79 17.82 3df9 h ALA 179 CO 0.00 0.30 -0.05 1.25 0.00 0.00 0.00 179.25 180.76 3df9 h HIS 180 N 0.99 0.41 -0.17 0.00 6.17 -0.63 0.22 115.15 122.14 3df9 h HIS 180 Ca 0.40 -0.09 -0.01 0.00 0.71 0.00 0.00 60.37 61.38 3df9 h HIS 180 Cb 0.26 -0.10 -0.01 0.00 2.52 0.00 0.00 27.41 30.08 3df9 h HIS 180 CO -0.00 0.62 0.06 0.28 0.71 0.00 0.00 177.93 179.61 3df9 h VAL 181 N 0.08 1.17 -0.80 5.26 2.07 -1.06 -2.34 116.25 120.62 3df9 h VAL 181 Ca 0.05 -0.52 0.11 0.00 0.82 0.00 0.00 66.70 67.16 3df9 h VAL 181 Cb 0.50 1.19 -0.08 0.00 -1.52 0.00 0.00 31.29 31.37 3df9 h VAL 181 CO 0.02 0.16 0.42 0.00 0.02 0.00 0.00 177.57 178.19 3df9 h HIS 183 N 0.68 0.45 0.00 0.00 6.17 -0.26 0.18 115.15 122.36 3df9 h HIS 183 Ca 0.41 0.03 -0.05 0.00 0.71 0.00 0.00 60.37 61.46 3df9 h HIS 183 Cb 0.47 -0.11 -0.01 0.00 2.52 0.00 0.00 27.41 30.27 3df9 h HIS 183 CO -0.09 0.16 -0.25 -0.91 0.71 0.00 0.00 177.93 177.55 3df9 h ASN 184 N 0.46 0.00 -0.39 3.26 4.21 -0.84 -2.76 115.58 119.53 3df9 h ASN 184 Ca 0.28 0.00 0.00 0.00 1.21 0.00 0.00 56.30 57.79 3df9 h ASN 184 Cb 0.28 0.00 0.00 0.00 -1.12 0.00 0.00 38.32 37.48 3df9 h ASN 184 CO -0.25 0.25 0.00 0.49 -1.29 0.00 0.00 177.43 176.64 3df9 n PHE 185 N -3.46 0.51 -3.74 1.19 3.72 -0.91 -5.00 117.46 109.77 3df9 n PHE 185 Ca -0.00 -0.33 -0.24 0.00 -0.05 0.00 0.00 57.45 56.83 3df9 n PHE 185 Cb 0.43 -0.01 0.03 0.00 -0.94 0.00 0.00 39.48 39.00 3df9 n PHE 185 CO 0.00 0.00 0.00 -1.71 -0.05 0.00 0.00 176.76 175.00 3df9 n ASN 186 N 1.13 -2.34 -4.42 4.37 5.15 0.36 -4.99 115.26 114.52 3df9 n ASN 186 Ca 0.16 -0.79 -0.34 0.00 -0.60 0.00 0.00 54.58 53.01 3df9 n ASN 186 Cb 0.51 -4.09 -0.13 0.00 -0.53 0.00 0.00 39.78 35.55 3df9 n ASN 186 CO 0.00 0.00 0.00 -0.69 1.40 0.00 0.00 177.26 177.97 3df9 s VAL 187 N -3.55 3.64 0.48 3.44 1.01 0.30 -5.02 120.40 120.70 3df9 s VAL 187 Ca 0.20 -0.43 -0.23 0.00 0.00 0.00 0.00 61.98 61.52 3df9 s VAL 187 Cb -0.10 -2.62 -0.07 0.00 0.00 0.00 0.00 36.38 33.60 3df9 s VAL 187 CO 0.81 0.46 1.30 -2.84 0.00 0.00 0.00 175.10 174.83 3df9 s PRO 188 N 0.83 3.56 0.05 2.72 0.02 -1.26 -4.47 135.00 136.44 3df9 s PRO 188 Ca -0.01 2.10 -0.01 0.00 0.02 0.00 0.00 61.00 63.10 3df9 s PRO 188 Cb -0.15 -2.45 -0.04 0.00 0.02 0.00 0.00 34.50 31.89 3df9 s PRO 188 CO 0.02 -0.81 -0.03 -0.59 -0.33 0.00 0.00 177.00 175.26 3df9 s PHE 189 N -1.36 0.50 0.01 6.54 -0.71 -1.26 -1.09 117.98 120.61 3df9 s PHE 189 Ca 0.65 -1.03 -0.08 0.00 -1.04 0.00 0.00 56.93 55.42 3df9 s PHE 189 Cb -0.37 -0.38 0.00 0.00 -1.21 0.00 0.00 43.02 41.07 3df9 s PHE 189 CO 0.45 -0.37 0.15 0.54 -1.34 0.00 0.00 175.22 174.65 3df9 s VAL 190 N -3.77 0.09 -0.19 -2.49 0.11 -0.76 -0.82 120.40 112.57 3df9 s VAL 190 Ca 0.06 -0.72 -0.07 0.00 -2.93 0.00 0.00 61.98 58.33 3df9 s VAL 190 Cb 0.07 -0.51 -0.03 0.00 -1.53 0.00 0.00 36.38 34.37 3df9 s VAL 190 CO -0.09 -0.39 0.04 -0.69 -3.33 0.00 0.00 175.10 170.64 3df9 s VAL 191 N -1.55 4.48 -0.32 2.04 1.01 -1.26 -1.50 120.40 123.30 3df9 s VAL 191 Ca -0.13 -0.14 0.00 0.00 0.00 0.00 0.00 61.98 61.71 3df9 s VAL 191 Cb -0.07 -3.03 0.10 0.00 0.00 0.00 0.00 36.38 33.39 3df9 s VAL 191 CO 0.01 0.43 0.09 -0.69 0.00 0.00 0.00 175.10 174.95 3df9 s VAL 192 N 0.69 1.18 0.37 2.92 1.01 -0.21 -1.82 120.40 124.54 3df9 s VAL 192 Ca 0.02 -1.64 0.06 0.00 0.00 0.00 0.00 61.98 60.42 3df9 s VAL 192 Cb -0.14 -1.88 -0.07 0.00 0.00 0.00 0.00 36.38 34.29 3df9 s VAL 192 CO 0.02 -0.67 0.01 -0.13 0.00 0.00 0.00 175.10 174.33 3df9 s ARG 193 N 1.42 1.82 0.07 2.72 0.52 -0.59 -4.01 118.95 120.90 3df9 s ARG 193 Ca 0.10 -2.01 0.06 0.00 -0.52 0.00 0.00 55.73 53.36 3df9 s ARG 193 Cb -0.18 -1.36 -0.03 0.00 0.52 0.00 0.00 34.95 33.90 3df9 s ARG 193 CO -0.21 -0.07 -0.16 0.00 0.02 0.00 0.00 175.30 174.87 3df9 s ALA 194 N -2.91 1.38 -0.14 2.13 0.00 -0.33 -0.49 121.76 121.40 3df9 s ALA 194 Ca 0.35 -1.01 -0.29 0.00 0.00 0.00 0.00 51.96 51.01 3df9 s ALA 194 Cb 0.09 -0.18 -0.01 0.00 0.00 0.00 0.00 23.12 23.01 3df9 s ALA 194 CO 0.17 0.25 1.14 0.42 0.00 0.00 0.00 175.76 177.74 3df9 s ILE 195 N -1.07 4.47 -0.06 0.00 -1.09 0.18 -1.45 121.20 122.18 3df9 s ILE 195 Ca 0.02 1.78 0.21 0.00 -2.23 0.00 0.00 60.65 60.42 3df9 s ILE 195 Cb -0.09 -4.14 -0.31 0.00 -1.58 0.00 0.00 42.46 36.33 3df9 s ILE 195 CO 0.02 -0.09 0.40 -1.54 -1.23 0.00 0.00 174.94 172.50 3df9 n SER 196 N 5.90 0.15 -3.51 3.58 3.41 -0.71 0.02 113.62 122.45 3df9 n SER 196 Ca 0.12 0.00 -0.03 0.00 -0.26 0.00 0.00 58.87 58.70 3df9 n SER 196 Cb 0.46 1.80 0.00 0.00 -0.26 0.00 0.00 64.21 66.21 3df9 n SER 196 CO 0.00 0.00 0.00 1.51 -0.16 0.00 0.00 175.04 176.39 3df9 s ASP 197 N -4.61 -0.07 -0.22 4.04 1.47 -1.24 -3.42 116.67 112.63 3df9 s ASP 197 Ca -0.08 -0.56 0.13 0.00 1.18 0.00 0.00 52.55 53.22 3df9 s ASP 197 Cb 0.12 0.49 0.44 0.00 -0.34 0.00 0.00 42.92 43.63 3df9 s ASP 197 CO 0.87 -0.95 1.32 1.33 0.68 0.00 0.00 175.17 178.42 3df9 n VAL 198 N -0.59 2.27 -1.47 2.11 0.24 -1.26 0.75 118.33 120.37 3df9 n VAL 198 Ca -0.05 -2.64 -0.16 0.00 -2.04 0.00 0.00 64.34 59.45 3df9 n VAL 198 Cb 0.60 -0.27 -0.07 0.00 -1.47 0.00 0.00 33.84 32.63 3df9 n VAL 198 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 3df9 n ALA 199 N -1.09 -0.25 -2.66 2.33 0.00 -1.26 -4.66 120.51 112.91 3df9 n ALA 199 Ca 0.24 0.26 0.00 0.00 0.00 0.00 0.00 53.44 53.94 3df9 n ALA 199 Cb 0.83 -1.84 0.00 0.00 0.00 0.00 0.00 19.45 18.44 3df9 n ALA 199 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 177.50 177.10 3df9 n ASP 200 N -1.06 0.08 0.13 0.00 5.68 -1.26 -0.66 116.55 119.46 3df9 n ASP 200 Ca -0.16 -0.62 0.11 0.00 -0.50 0.00 0.00 54.79 53.61 3df9 n ASP 200 Cb 0.60 0.00 0.49 0.00 -1.14 0.00 0.00 41.12 41.07 3df9 n ASP 200 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 3df9 n GLN 201 N -0.60 0.17 -0.19 0.11 6.02 -1.25 -1.64 117.38 119.99 3df9 n GLN 201 Ca 0.00 0.46 0.10 0.00 -0.01 0.00 0.00 57.00 57.55 3df9 n GLN 201 Cb 0.00 -1.86 0.27 0.00 1.02 0.00 0.00 30.24 29.67 3df9 n GLN 201 CO 0.00 0.00 0.00 1.04 -1.01 0.00 0.00 177.06 177.09 3df9 n GLN 202 N -2.18 2.17 -0.19 -1.09 1.13 -1.26 -4.64 117.38 111.31 3df9 n GLN 202 Ca 0.01 -1.78 0.02 0.00 -1.94 0.00 0.00 57.00 53.31 3df9 n GLN 202 Cb 0.18 -1.44 0.28 0.00 0.11 0.00 0.00 30.24 29.37 3df9 n GLN 202 CO 0.00 0.00 0.00 1.03 -1.44 0.00 0.00 177.06 176.65 3df9 h SER 203 N 3.26 0.79 0.12 1.08 0.87 -1.62 -1.61 113.55 116.44 3df9 h SER 203 Ca 0.00 -0.01 -0.01 0.00 -1.23 0.00 0.00 61.79 60.54 3df9 h SER 203 Cb 0.73 -0.19 0.00 0.00 -0.44 0.00 0.00 62.40 62.50 3df9 h SER 203 CO 0.00 0.56 -0.06 -0.74 -0.53 0.00 0.00 176.83 176.06 3df9 h HIS 204 N 0.93 -0.15 0.15 2.24 -0.00 -1.83 -0.19 115.15 116.29 3df9 h HIS 204 Ca 0.28 -0.00 0.01 0.00 -0.00 0.00 0.00 60.37 60.65 3df9 h HIS 204 Cb -0.03 0.05 -0.02 0.00 -0.00 0.00 0.00 27.41 27.41 3df9 h HIS 204 CO -0.00 0.21 -0.21 -0.07 -0.00 0.00 0.00 177.93 177.85 3df9 h LEU 205 N -0.54 -0.59 -0.38 0.26 3.38 -1.87 -1.73 115.31 113.85 3df9 h LEU 205 Ca -0.02 0.06 0.07 0.00 0.09 0.00 0.00 57.88 58.08 3df9 h LEU 205 Cb 0.43 0.22 -0.06 0.00 0.09 0.00 0.00 40.66 41.33 3df9 h LEU 205 CO 0.03 -0.30 0.02 -1.28 0.09 0.00 0.00 178.44 177.00 3df9 h SER 206 N -0.42 -0.11 -0.27 -0.43 0.87 -1.33 -0.27 113.55 111.60 3df9 h SER 206 Ca 0.02 0.08 0.03 0.00 -1.23 0.00 0.00 61.79 60.68 3df9 h SER 206 Cb 0.42 0.14 -0.03 0.00 -0.44 0.00 0.00 62.40 62.49 3df9 h SER 206 CO -0.09 -0.02 0.10 0.15 -0.53 0.00 0.00 176.83 176.43 3df9 h PHE 207 N 0.13 0.17 -0.62 2.24 3.04 -0.89 0.80 116.94 121.81 3df9 h PHE 207 Ca 0.19 0.01 0.05 0.00 3.98 0.00 0.00 57.97 62.20 3df9 h PHE 207 Cb 0.25 -0.04 -0.05 0.00 2.56 0.00 0.00 35.95 38.67 3df9 h PHE 207 CO -0.24 0.08 0.35 -0.44 -2.02 0.00 0.00 178.31 176.04 3df9 h ASP 208 N 0.22 0.52 0.02 0.41 3.45 -1.02 0.15 116.42 120.17 3df9 h ASP 208 Ca 0.12 0.02 -0.16 0.00 0.43 0.00 0.00 57.03 57.44 3df9 h ASP 208 Cb 0.08 -0.08 -0.01 0.00 -0.56 0.00 0.00 39.33 38.76 3df9 h ASP 208 CO -0.12 0.35 -0.53 -0.33 -1.57 0.00 0.00 179.24 177.04 3df9 h GLU 209 N 0.65 0.56 -0.02 3.56 5.08 -0.01 -3.38 114.58 121.02 3df9 h GLU 209 Ca 0.27 -0.34 0.00 0.00 -1.00 0.00 0.00 59.36 58.29 3df9 h GLU 209 Cb 0.14 0.04 0.00 0.00 0.50 0.00 0.00 28.75 29.43 3df9 h GLU 209 CO -0.16 0.95 0.00 1.19 -1.00 0.00 0.00 179.01 179.99 3df9 n PHE 210 N -3.97 0.03 -0.34 4.33 3.72 0.27 -4.61 117.46 116.89 3df9 n PHE 210 Ca -0.03 -0.31 0.01 0.00 -0.05 0.00 0.00 57.45 57.07 3df9 n PHE 210 Cb 0.59 -0.03 0.17 0.00 -0.94 0.00 0.00 39.48 39.28 3df9 n PHE 210 CO 0.00 0.00 0.00 1.25 -0.05 0.00 0.00 176.76 177.96 3df9 h LEU 211 N 0.21 1.04 -0.20 4.37 5.85 -1.15 -1.10 115.31 124.34 3df9 h LEU 211 Ca 0.00 -0.01 0.01 0.00 0.84 0.00 0.00 57.88 58.71 3df9 h LEU 211 Cb 0.34 -0.24 -0.01 0.00 0.37 0.00 0.00 40.66 41.12 3df9 h LEU 211 CO 0.00 0.71 0.12 0.00 -0.34 0.00 0.00 178.44 178.93 3df9 h ALA 212 N 1.44 0.25 -0.67 1.25 0.00 -1.84 0.10 119.26 119.79 3df9 h ALA 212 Ca 0.38 -0.01 -0.02 0.00 0.00 0.00 0.00 54.91 55.26 3df9 h ALA 212 Cb 0.00 -0.06 -0.03 0.00 0.00 0.00 0.00 17.79 17.70 3df9 h ALA 212 CO -0.11 -0.29 0.33 0.28 0.00 0.00 0.00 179.25 179.46 3df9 h VAL 213 N 0.25 1.22 -0.54 0.00 2.07 -1.79 -1.59 116.25 115.86 3df9 h VAL 213 Ca 0.08 -0.61 -0.04 0.00 0.82 0.00 0.00 66.70 66.95 3df9 h VAL 213 Cb -0.01 0.39 -0.02 0.00 -1.52 0.00 0.00 31.29 30.13 3df9 h VAL 213 CO -0.03 0.25 0.18 0.00 0.02 0.00 0.00 177.57 177.99 3df9 h ALA 214 N 1.16 0.71 -0.58 1.67 0.00 -0.93 -0.64 119.26 120.64 3df9 h ALA 214 Ca 0.23 -0.19 -0.05 0.00 0.00 0.00 0.00 54.91 54.91 3df9 h ALA 214 Cb 0.10 -0.21 -0.03 0.00 0.00 0.00 0.00 17.79 17.65 3df9 h ALA 214 CO -0.03 0.36 0.17 0.00 0.00 0.00 0.00 179.25 179.76 3df9 h ALA 215 N 1.04 1.21 0.10 0.00 0.00 -0.80 -1.18 119.26 119.63 3df9 h ALA 215 Ca 0.18 -0.19 -0.00 0.00 0.00 0.00 0.00 54.91 54.89 3df9 h ALA 215 Cb 0.27 -0.23 0.00 0.00 0.00 0.00 0.00 17.79 17.82 3df9 h ALA 215 CO -0.01 0.55 -0.05 -0.22 0.00 0.00 0.00 179.25 179.53 3df9 h LYS 216 N 0.85 -0.13 -0.03 0.00 3.64 -1.03 -2.11 116.57 117.77 3df9 h LYS 216 Ca 0.19 0.01 0.02 0.00 -1.27 0.00 0.00 60.65 59.60 3df9 h LYS 216 Cb 0.26 0.03 -0.03 0.00 -0.41 0.00 0.00 32.23 32.08 3df9 h LYS 216 CO -0.01 0.30 -0.10 1.96 -2.27 0.00 0.00 179.45 179.33 3df9 h GLN 217 N -0.60 -0.16 -0.80 1.90 1.08 -1.08 -0.39 115.11 115.07 3df9 h GLN 217 Ca -0.01 0.01 -0.00 0.00 -1.45 0.00 0.00 58.65 57.20 3df9 h GLN 217 Cb 0.48 0.04 -0.04 0.00 -0.05 0.00 0.00 27.48 27.91 3df9 h GLN 217 CO 0.02 -0.10 0.50 0.66 -0.95 0.00 0.00 178.83 178.96 3df9 h SER 218 N -0.16 0.95 -0.47 1.46 4.64 -1.31 -1.37 113.55 117.29 3df9 h SER 218 Ca 0.05 -0.05 -0.04 0.00 -0.47 0.00 0.00 61.79 61.28 3df9 h SER 218 Cb 0.22 -0.24 -0.02 0.00 -0.31 0.00 0.00 62.40 62.06 3df9 h SER 218 CO -0.12 0.72 0.15 0.28 -0.87 0.00 0.00 176.83 176.99 3df9 h SER 219 N 1.09 0.68 -0.51 4.97 0.02 -1.06 -0.60 113.55 118.13 3df9 h SER 219 Ca 0.29 -0.20 -0.00 0.00 -0.84 0.00 0.00 61.79 61.04 3df9 h SER 219 Cb -0.07 -0.18 -0.02 0.00 0.14 0.00 0.00 62.40 62.27 3df9 h SER 219 CO -0.06 0.70 0.31 -0.07 -1.14 0.00 0.00 176.83 176.57 3df9 h LEU 220 N 0.62 0.61 -0.53 5.07 3.38 -0.88 -0.64 115.31 122.95 3df9 h LEU 220 Ca 0.15 -0.05 0.03 0.00 0.09 0.00 0.00 57.88 58.10 3df9 h LEU 220 Cb 0.26 -0.16 -0.04 0.00 0.09 0.00 0.00 40.66 40.82 3df9 h LEU 220 CO -0.01 0.49 0.31 0.24 0.09 0.00 0.00 178.44 179.56 3df9 h MET 221 N 0.69 0.59 -0.43 1.13 2.86 -1.05 -1.88 114.93 116.83 3df9 h MET 221 Ca 0.18 -0.04 -0.02 0.00 -2.06 0.00 0.00 59.70 57.77 3df9 h MET 221 Cb -0.02 -0.13 -0.02 0.00 0.06 0.00 0.00 31.60 31.49 3df9 h MET 221 CO -0.03 0.39 0.18 0.28 1.06 0.00 0.00 176.91 178.79 3df9 h VAL 222 N 0.61 1.20 -0.53 -2.22 2.07 -0.72 0.60 116.25 117.24 3df9 h VAL 222 Ca 0.22 -0.59 0.07 0.00 0.82 0.00 0.00 66.70 67.21 3df9 h VAL 222 Cb 0.04 0.78 -0.06 0.00 -1.52 0.00 0.00 31.29 30.54 3df9 h VAL 222 CO -0.11 0.22 0.22 -0.33 0.02 0.00 0.00 177.57 177.59 3df9 h GLU 223 N 0.56 0.41 -0.66 1.57 5.08 -0.99 0.16 114.58 120.71 3df9 h GLU 223 Ca 0.15 -0.02 -0.04 0.00 -1.00 0.00 0.00 59.36 58.44 3df9 h GLU 223 Cb 0.17 -0.09 -0.03 0.00 0.50 0.00 0.00 28.75 29.30 3df9 h GLU 223 CO -0.01 0.27 0.26 1.03 -1.00 0.00 0.00 179.01 179.56 3df9 h SER 224 N 0.42 0.89 -0.08 1.42 0.87 -1.03 -2.70 113.55 113.35 3df9 h SER 224 Ca 0.25 -0.13 -0.03 0.00 -1.23 0.00 0.00 61.79 60.66 3df9 h SER 224 Cb 0.25 -0.23 -0.00 0.00 -0.44 0.00 0.00 62.40 61.98 3df9 h SER 224 CO -0.23 0.80 -0.07 0.25 -0.53 0.00 0.00 176.83 177.05 3df9 h LEU 225 N 0.96 0.19 -0.24 2.23 5.85 -0.20 -0.93 115.31 123.16 3df9 h LEU 225 Ca 0.22 -0.48 0.05 0.00 0.84 0.00 0.00 57.88 58.52 3df9 h LEU 225 Cb 0.19 -0.05 -0.06 0.00 0.37 0.00 0.00 40.66 41.11 3df9 h LEU 225 CO -0.02 0.63 -0.11 0.58 -0.34 0.00 0.00 178.44 179.18 3df9 h VAL 226 N -0.24 0.64 -0.24 1.05 2.07 -1.02 -0.35 116.25 118.15 3df9 h VAL 226 Ca 0.01 0.00 0.05 0.00 0.82 0.00 0.00 66.70 67.59 3df9 h VAL 226 Cb 0.57 0.64 -0.05 0.00 -1.52 0.00 0.00 31.29 30.93 3df9 h VAL 226 CO 0.02 0.00 -0.10 -0.61 0.02 0.00 0.00 177.57 176.90 3df9 h GLN 227 N -0.08 -0.06 -0.86 1.57 5.75 -1.43 -1.72 115.11 118.28 3df9 h GLN 227 Ca 0.13 0.00 0.02 0.00 -0.15 0.00 0.00 58.65 58.65 3df9 h GLN 227 Cb 0.28 0.01 -0.05 0.00 1.07 0.00 0.00 27.48 28.79 3df9 h GLN 227 CO -0.30 -0.04 0.57 -0.22 -2.65 0.00 0.00 178.83 176.19 3df9 h LYS 228 N -0.06 1.10 -0.61 1.69 3.64 -0.59 0.49 116.57 122.23 3df9 h LYS 228 Ca 0.13 -0.07 -0.09 0.00 -1.27 0.00 0.00 60.65 59.35 3df9 h LYS 228 Cb 0.25 -0.25 -0.02 0.00 -0.41 0.00 0.00 32.23 31.80 3df9 h LYS 228 CO -0.28 0.73 0.03 -0.07 -2.27 0.00 0.00 179.45 177.59 3df9 h LEU 229 N 1.14 1.02 0.07 5.20 3.38 -0.81 0.05 115.31 125.35 3df9 h LEU 229 Ca 0.33 -0.27 -0.28 0.00 0.09 0.00 0.00 57.88 57.75 3df9 h LEU 229 Cb -0.08 -0.27 -0.02 0.00 0.09 0.00 0.00 40.66 40.38 3df9 h LEU 229 CO -0.09 1.05 -1.39 0.00 0.09 0.00 0.00 178.44 178.10 3df9 h ALA 230 N 1.05 0.35 0.00 1.53 0.00 -1.05 -3.40 119.26 117.75 3df9 h ALA 230 Ca 0.18 -1.09 0.00 0.00 0.00 0.00 0.00 54.91 54.00 3df9 h ALA 230 Cb 0.51 0.17 0.00 0.00 0.00 0.00 0.00 17.79 18.48 3df9 h ALA 230 CO 0.02 1.22 -0.19 0.72 0.00 0.00 0.00 179.25 181.03 3df9 n HIS 231 N -3.37 0.00 -0.84 0.00 8.25 0.14 -5.10 115.22 114.30 3df9 n HIS 231 Ca -0.11 -0.36 0.00 0.00 -0.26 0.00 0.00 57.72 56.99 3df9 n HIS 231 Cb 1.02 -0.07 0.00 0.00 1.12 0.00 0.00 29.99 32.06 3df9 n HIS 231 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39