#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3df9 n SER 0 N 0.00 1.27 -4.90 4.37 2.88 -1.26 -5.06 113.62 110.93 3df9 n SER 0 Ca 0.00 -2.32 -0.31 0.00 -1.33 0.00 0.00 58.87 54.91 3df9 n SER 0 Cb 0.00 -0.24 -0.05 0.00 -0.75 0.00 0.00 64.21 63.18 3df9 n SER 0 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 3df9 s MET 1 N -1.32 3.62 -0.14 -1.46 0.23 -1.26 -5.07 119.30 113.89 3df9 s MET 1 Ca 0.13 -0.09 0.00 0.00 -1.03 0.00 0.00 55.69 54.70 3df9 s MET 1 Cb 0.11 -2.84 0.02 0.00 -1.53 0.00 0.00 34.83 30.60 3df9 s MET 1 CO 0.01 0.46 -0.12 0.21 -2.03 0.00 0.00 175.02 173.55 3df9 s LYS 2 N -2.68 2.04 -0.27 3.16 2.20 -1.26 -4.11 119.74 118.81 3df9 s LYS 2 Ca 0.41 -0.47 -0.11 0.00 -0.36 0.00 0.00 55.97 55.44 3df9 s LYS 2 Cb -0.12 -1.95 -0.05 0.00 -1.51 0.00 0.00 37.83 34.20 3df9 s LYS 2 CO 0.25 -0.25 0.20 0.42 -0.36 0.00 0.00 175.35 175.60 3df9 s ILE 3 N 1.56 5.31 0.05 5.43 1.01 -0.39 -0.89 121.20 133.27 3df9 s ILE 3 Ca 0.05 0.20 -0.26 0.00 0.00 0.00 0.00 60.65 60.64 3df9 s ILE 3 Cb -0.13 -3.54 -0.05 0.00 0.01 0.00 0.00 42.46 38.75 3df9 s ILE 3 CO -0.10 0.26 0.80 -0.83 0.00 0.00 0.00 174.94 175.06 3df9 s GLY 4 N 1.66 2.81 -0.04 6.18 0.00 -0.44 -1.74 107.32 115.75 3df9 s GLY 4 Ca 0.08 0.32 0.03 0.00 0.00 0.00 0.00 44.72 45.15 3df9 s GLY 4 CO 0.10 1.16 -0.13 -0.42 0.00 0.00 0.00 173.10 173.81 3df9 s ILE 5 N 0.02 1.15 -0.09 0.90 1.01 -0.26 -0.18 121.20 123.74 3df9 s ILE 5 Ca 0.40 -0.55 0.01 0.00 0.00 0.00 0.00 60.65 60.51 3df9 s ILE 5 Cb -0.21 -1.00 0.02 0.00 0.01 0.00 0.00 42.46 41.27 3df9 s ILE 5 CO 0.24 0.34 -0.12 -0.63 0.00 0.00 0.00 174.94 174.77 3df9 s ILE 6 N 0.17 1.26 0.10 2.92 1.01 0.39 -0.53 121.20 126.53 3df9 s ILE 6 Ca -0.05 -0.50 0.06 0.00 0.00 0.00 0.00 60.65 60.16 3df9 s ILE 6 Cb -0.11 -1.18 -0.03 0.00 0.01 0.00 0.00 42.46 41.15 3df9 s ILE 6 CO 0.02 0.39 -0.15 -0.83 0.00 0.00 0.00 174.94 174.37 3df9 s GLY 7 N 1.05 1.03 -0.13 6.18 0.00 -0.68 -0.68 107.32 114.09 3df9 s GLY 7 Ca -0.07 -1.19 -0.21 0.00 0.00 0.00 0.00 44.72 43.25 3df9 s GLY 7 CO -0.01 -1.23 0.54 0.00 0.00 0.00 0.00 173.10 172.40 3df9 h ALA 8 N 3.85 0.01 -2.67 3.20 0.00 -1.80 -1.29 119.26 120.56 3df9 h ALA 8 Ca -0.41 -0.39 -0.57 0.00 0.00 0.00 0.00 54.91 53.54 3df9 h ALA 8 Cb 1.19 0.03 -0.03 0.00 0.00 0.00 0.00 17.79 18.98 3df9 h ALA 8 CO 0.46 0.02 -0.43 -1.64 0.00 0.00 0.00 179.25 177.66 3df9 s MET 9 N -2.05 3.48 0.18 0.00 -1.94 -1.26 -1.20 119.30 116.50 3df9 s MET 9 Ca -0.14 -0.44 -0.16 0.00 -1.71 0.00 0.00 55.69 53.23 3df9 s MET 9 Cb -0.02 -2.95 0.14 0.00 2.01 0.00 0.00 34.83 34.02 3df9 s MET 9 CO 0.50 0.51 1.65 1.49 -0.01 0.00 0.00 175.02 179.17 3df9 h GLU 10 N 2.44 -0.02 0.00 2.03 4.81 -1.98 -0.53 114.58 121.33 3df9 h GLU 10 Ca -0.47 0.00 -0.00 0.00 -0.13 0.00 0.00 59.36 58.76 3df9 h GLU 10 Cb 1.18 0.00 -0.00 0.00 0.63 0.00 0.00 28.75 30.56 3df9 h GLU 10 CO 0.71 -0.01 -0.01 1.49 -0.73 0.00 0.00 179.01 180.46 3df9 h GLU 11 N -0.02 0.00 0.00 1.92 4.81 -2.00 0.11 114.58 119.40 3df9 h GLU 11 Ca 0.23 0.00 -0.06 0.00 -0.13 0.00 0.00 59.36 59.40 3df9 h GLU 11 Cb 0.36 0.00 -0.01 0.00 0.63 0.00 0.00 28.75 29.74 3df9 h GLU 11 CO -0.50 0.01 -0.51 0.93 -0.73 0.00 0.00 179.01 178.22 3df9 h GLU 12 N 0.00 0.00 0.00 1.92 5.08 -1.50 -3.37 114.58 116.71 3df9 h GLU 12 Ca -0.00 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 3df9 h GLU 12 Cb 0.05 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.30 3df9 h GLU 12 CO 0.00 0.21 -0.68 1.33 -1.00 0.00 0.00 179.01 178.87 3df9 n VAL 13 N -3.05 0.00 -0.15 3.13 0.24 -0.66 -4.71 118.33 113.14 3df9 n VAL 13 Ca 0.01 -0.24 -0.11 0.00 -2.04 0.00 0.00 64.34 61.97 3df9 n VAL 13 Cb 0.64 0.89 -0.01 0.00 -1.47 0.00 0.00 33.84 33.90 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 0.00 1.27 -0.64 3.34 1.03 -1.17 0.96 112.91 117.70 3df9 h THR 14 Ca 0.00 -1.19 -0.01 0.00 -0.01 0.00 0.00 66.41 65.20 3df9 h THR 14 Cb 0.31 1.13 -0.03 0.00 -1.07 0.00 0.00 68.15 68.49 3df9 h THR 14 CO 0.00 0.41 0.37 -0.07 -0.01 0.00 0.00 175.52 176.22 3df9 h LEU 15 N 0.67 0.78 -0.41 0.00 4.07 -1.85 -1.01 115.31 117.57 3df9 h LEU 15 Ca 0.11 -0.07 -0.09 0.00 0.08 0.00 0.00 57.88 57.92 3df9 h LEU 15 Cb 0.62 -0.20 -0.01 0.00 1.08 0.00 0.00 40.66 42.15 3df9 h LEU 15 CO 0.04 0.62 -0.08 -0.07 -1.08 0.00 0.00 178.44 177.87 3df9 h LEU 16 N 0.87 0.78 -1.23 1.67 3.38 -1.82 -3.16 115.31 115.80 3df9 h LEU 16 Ca 0.23 -0.35 -0.02 0.00 0.09 0.00 0.00 57.88 57.82 3df9 h LEU 16 Cb -0.00 -0.21 -0.03 0.00 0.09 0.00 0.00 40.66 40.51 3df9 h LEU 16 CO -0.04 0.95 0.24 -0.09 0.09 0.00 0.00 178.44 179.59 3df9 h ARG 17 N 0.59 0.77 0.00 1.13 2.43 -0.53 -2.52 114.38 116.25 3df9 h ARG 17 Ca 0.11 -0.10 -0.06 0.00 -0.81 0.00 0.00 59.98 59.11 3df9 h ARG 17 Cb 0.60 -0.14 -0.01 0.00 -0.42 0.00 0.00 29.97 30.00 3df9 h ARG 17 CO 0.04 0.62 -0.29 -0.44 -1.51 0.00 0.00 179.97 178.38 3df9 h ASP 18 N 0.77 0.00 0.53 -3.80 3.45 -1.17 -2.87 116.42 113.33 3df9 h ASP 18 Ca 0.19 0.00 0.00 0.00 0.43 0.00 0.00 57.03 57.65 3df9 h ASP 18 Cb 0.12 0.00 0.00 0.00 -0.56 0.00 0.00 39.33 38.89 3df9 h ASP 18 CO -0.02 0.29 -0.16 0.29 -1.57 0.00 0.00 179.24 178.07 3df9 n LYS 19 N -3.95 0.40 -2.15 3.56 5.02 -0.96 -4.87 118.16 115.21 3df9 n LYS 19 Ca -0.02 -0.14 -0.43 0.00 -2.02 0.00 0.00 58.31 55.71 3df9 n LYS 19 Cb 0.36 -1.50 -0.02 0.00 -0.02 0.00 0.00 35.03 33.85 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 -2.70 3.76 0.39 -0.18 1.01 -1.09 -4.60 121.20 117.80 3df9 s ILE 20 Ca 0.22 0.87 -0.24 0.00 0.00 0.00 0.00 60.65 61.50 3df9 s ILE 20 Cb 0.19 -3.74 -0.09 0.00 0.01 0.00 0.00 42.46 38.84 3df9 s ILE 20 CO 0.53 -0.27 1.05 -1.61 0.00 0.00 0.00 174.94 174.64 3df9 s GLU 21 N 4.47 4.19 -1.50 2.79 2.02 0.11 -3.83 118.70 126.95 3df9 s GLU 21 Ca 0.69 1.53 -0.12 0.00 0.02 0.00 0.00 54.97 57.09 3df9 s GLU 21 Cb -0.25 -2.58 0.07 0.00 0.10 0.00 0.00 34.13 31.48 3df9 s GLU 21 CO 0.28 -0.12 0.97 0.09 0.02 0.00 0.00 175.26 176.49 3df9 n ASN 22 N -0.00 -4.53 -4.75 -0.19 3.02 -1.26 -0.98 115.26 106.56 3df9 n ASN 22 Ca 0.05 -0.77 -0.41 0.00 -0.03 0.00 0.00 54.58 53.41 3df9 n ASN 22 Cb 0.49 -3.96 -0.02 0.00 -0.61 0.00 0.00 39.78 35.68 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 -6.55 4.29 0.19 3.52 3.52 -1.25 -4.33 118.95 118.34 3df9 s ARG 23 Ca 0.59 2.27 0.03 0.00 -0.13 0.00 0.00 55.73 58.50 3df9 s ARG 23 Cb -0.30 -3.10 -0.05 0.00 -1.56 0.00 0.00 34.95 29.94 3df9 s ARG 23 CO 0.82 -0.36 -0.04 -0.65 -0.81 0.00 0.00 175.30 174.27 3df9 s GLN 24 N -0.73 1.18 -0.11 5.12 -0.21 -0.41 -4.97 119.66 119.53 3df9 s GLN 24 Ca 0.57 -1.56 0.03 0.00 0.02 0.00 0.00 55.36 54.41 3df9 s GLN 24 Cb -0.41 -0.53 0.01 0.00 1.00 0.00 0.00 33.01 33.08 3df9 s GLN 24 CO 0.46 -0.05 -0.19 0.99 -2.12 0.00 0.00 175.29 174.38 3df9 s THR 25 N -3.45 1.75 -0.27 -0.19 2.01 -1.26 -1.18 115.64 113.05 3df9 s THR 25 Ca 0.23 -0.81 -0.11 0.00 0.31 0.00 0.00 61.69 61.32 3df9 s THR 25 Cb 0.05 -1.55 -0.05 0.00 0.01 0.00 0.00 72.50 70.96 3df9 s THR 25 CO 0.05 0.49 0.18 -0.63 -0.69 0.00 0.00 174.62 174.01 3df9 s ILE 26 N 0.73 5.26 -0.28 1.82 1.01 0.13 -4.95 121.20 124.93 3df9 s ILE 26 Ca -0.11 0.15 -0.08 0.00 0.00 0.00 0.00 60.65 60.62 3df9 s ILE 26 Cb -0.16 -3.49 -0.01 0.00 0.01 0.00 0.00 42.46 38.81 3df9 s ILE 26 CO 0.02 0.27 0.09 -0.44 0.00 0.00 0.00 174.94 174.88 3df9 s SER 27 N 1.62 5.20 -0.25 3.58 0.01 -1.26 -0.84 113.70 121.76 3df9 s SER 27 Ca 0.07 -0.46 -0.20 0.00 1.31 0.00 0.00 55.95 56.67 3df9 s SER 27 Cb -0.15 -1.92 0.07 0.00 0.21 0.00 0.00 66.02 64.22 3df9 s SER 27 CO 0.09 -0.13 0.65 -0.22 0.41 0.00 0.00 173.24 174.05 3df9 s LEU 28 N 1.57 -0.63 -1.30 2.44 2.96 -0.66 -4.96 118.68 118.10 3df9 s LEU 28 Ca 0.05 1.36 -0.07 0.00 -0.22 0.00 0.00 54.13 55.24 3df9 s LEU 28 Cb -0.16 2.23 0.05 0.00 0.50 0.00 0.00 46.19 48.81 3df9 s LEU 28 CO 0.04 -0.23 0.44 0.61 -1.32 0.00 0.00 176.35 175.88 3df9 n GLY 29 N 3.38 -0.49 2.73 7.98 0.00 -1.26 -1.30 105.19 116.23 3df9 n GLY 29 Ca -0.17 0.08 0.00 0.00 0.00 0.00 0.00 46.02 45.94 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 -1.18 0.86 3.48 -0.02 0.00 -1.26 -4.99 105.19 102.08 3df9 n GLY 30 Ca -0.05 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.74 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 -3.73 1.71 -0.10 0.00 2.02 -1.21 -1.65 118.70 115.74 3df9 s GLU 32 Ca 0.32 -0.80 0.03 0.00 0.02 0.00 0.00 54.97 54.53 3df9 s GLU 32 Cb 0.05 -1.68 0.01 0.00 0.10 0.00 0.00 34.13 32.61 3df9 s GLU 32 CO 0.14 0.46 -0.18 0.42 0.02 0.00 0.00 175.26 176.12 3df9 s ILE 33 N -0.55 1.63 -0.28 -1.63 1.01 -0.02 -1.04 121.20 120.32 3df9 s ILE 33 Ca 0.08 -0.75 -0.10 0.00 0.00 0.00 0.00 60.65 59.89 3df9 s ILE 33 Cb -0.08 -1.46 -0.03 0.00 0.01 0.00 0.00 42.46 40.90 3df9 s ILE 33 CO -0.00 0.47 0.14 -0.31 0.00 0.00 0.00 174.94 175.23 3df9 s TYR 34 N 0.71 3.16 0.21 3.97 2.02 0.79 0.22 117.35 128.43 3df9 s TYR 34 Ca -0.12 -0.24 0.06 0.00 -0.37 0.00 0.00 57.07 56.40 3df9 s TYR 34 Cb -0.16 -2.33 -0.04 0.00 -0.40 0.00 0.00 41.96 39.03 3df9 s TYR 34 CO 0.03 -0.31 0.21 0.95 -1.57 0.00 0.00 175.55 174.86 3df9 s THR 35 N 1.68 4.69 -5.00 -0.71 -4.23 -0.32 -0.67 115.64 111.08 3df9 s THR 35 Ca 0.06 -1.15 0.00 0.00 -1.18 0.00 0.00 61.69 59.43 3df9 s THR 35 Cb -0.16 -3.48 0.00 0.00 1.34 0.00 0.00 72.50 70.20 3df9 s THR 35 CO 0.07 -0.23 0.00 0.61 -0.54 0.00 0.00 174.62 174.53 3df9 n GLY 36 N -0.86 0.65 3.35 3.99 0.00 -1.16 -1.29 105.19 109.87 3df9 n GLY 36 Ca -0.08 -1.73 -0.28 0.00 0.00 0.00 0.00 46.02 43.93 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 -2.00 1.40 -0.26 1.61 1.11 -0.15 -0.49 119.66 120.87 3df9 s GLN 37 Ca 0.00 -1.24 0.02 0.00 0.01 0.00 0.00 55.36 54.15 3df9 s GLN 37 Cb 0.00 -1.76 0.05 0.00 -1.01 0.00 0.00 33.01 30.29 3df9 s GLN 37 CO 0.00 0.42 -0.09 -1.17 0.01 0.00 0.00 175.29 174.47 3df9 s LEU 38 N -1.83 3.47 -1.69 2.90 2.96 0.43 0.07 118.68 124.99 3df9 s LEU 38 Ca 0.11 -1.31 -0.16 0.00 -0.22 0.00 0.00 54.13 52.55 3df9 s LEU 38 Cb -0.10 -1.59 0.14 0.00 0.50 0.00 0.00 46.19 45.15 3df9 s LEU 38 CO 0.05 -0.19 0.68 0.59 -1.32 0.00 0.00 176.35 176.15 3df9 n ASN 39 N 4.49 -2.52 0.00 3.68 3.02 -1.26 -1.44 115.26 121.23 3df9 n ASN 39 Ca -0.14 -1.06 0.00 0.00 -0.03 0.00 0.00 54.58 53.35 3df9 n ASN 39 Cb 0.43 -2.56 0.00 0.00 -0.61 0.00 0.00 39.78 37.04 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 -1.48 2.25 3.68 7.41 0.00 -1.26 -5.04 105.19 110.75 3df9 n GLY 40 Ca 0.02 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.66 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 -2.38 5.20 0.08 2.61 2.01 -0.52 -4.97 115.64 117.68 3df9 s THR 41 Ca 0.00 0.73 -0.32 0.00 0.31 0.00 0.00 61.69 62.41 3df9 s THR 41 Cb 0.00 -3.74 -0.11 0.00 0.01 0.00 0.00 72.50 68.66 3df9 s THR 41 CO 0.00 0.27 1.84 1.21 -0.69 0.00 0.00 174.62 177.25 3df9 n GLU 42 N 4.33 2.62 -4.30 4.92 4.07 -1.26 -0.43 120.64 130.59 3df9 n GLU 42 Ca -0.08 0.95 -0.18 0.00 -0.06 0.00 0.00 57.16 57.79 3df9 n GLU 42 Cb 0.51 -2.84 -0.10 0.00 -0.06 0.00 0.00 31.44 28.95 3df9 n GLU 42 CO 0.00 0.00 0.00 0.14 -0.06 0.00 0.00 177.13 177.21 3df9 s VAL 43 N 3.03 1.55 -0.19 6.31 -7.23 0.36 -1.26 120.40 122.96 3df9 s VAL 43 Ca 0.85 -2.04 -0.03 0.00 -1.81 0.00 0.00 61.98 58.95 3df9 s VAL 43 Cb -0.54 -1.87 0.06 0.00 0.56 0.00 0.00 36.38 34.59 3df9 s VAL 43 CO 0.41 -0.55 0.03 0.00 -0.31 0.00 0.00 175.10 174.68 3df9 s ALA 44 N -2.75 1.01 -0.31 1.32 0.00 -0.71 -2.97 121.76 117.34 3df9 s ALA 44 Ca 0.18 -0.69 -0.08 0.00 0.00 0.00 0.00 51.96 51.37 3df9 s ALA 44 Cb -0.02 -1.17 0.01 0.00 0.00 0.00 0.00 23.12 21.94 3df9 s ALA 44 CO 0.05 -1.16 0.11 -1.17 0.00 0.00 0.00 175.76 173.59 3df9 s LEU 45 N 1.86 4.02 -0.15 0.00 2.96 0.16 -1.10 118.68 126.42 3df9 s LEU 45 Ca -0.01 -0.70 -0.16 0.00 -0.22 0.00 0.00 54.13 53.04 3df9 s LEU 45 Cb -0.17 -1.93 -0.04 0.00 0.50 0.00 0.00 46.19 44.55 3df9 s LEU 45 CO -0.08 -0.22 0.37 -0.22 -1.32 0.00 0.00 176.35 174.88 3df9 s LEU 46 N 1.53 4.25 -0.48 -0.68 2.96 0.32 -0.15 118.68 126.42 3df9 s LEU 46 Ca 0.03 0.62 -0.16 0.00 -0.22 0.00 0.00 54.13 54.40 3df9 s LEU 46 Cb -0.17 -2.50 0.08 0.00 0.50 0.00 0.00 46.19 44.09 3df9 s LEU 46 CO 0.04 0.05 0.43 -0.75 -1.32 0.00 0.00 176.35 174.79 3df9 s LYS 47 N 0.60 2.99 0.02 1.98 2.20 -0.21 -1.69 119.74 125.63 3df9 s LYS 47 Ca 0.20 -1.36 0.13 0.00 -0.36 0.00 0.00 55.97 54.58 3df9 s LYS 47 Cb -0.14 -4.15 -0.19 0.00 -1.51 0.00 0.00 37.83 31.84 3df9 s LYS 47 CO 0.06 -1.09 0.82 0.66 -0.36 0.00 0.00 175.35 175.45 3df9 h SER 48 N 8.79 0.00 -4.52 1.43 4.64 -1.32 -3.21 113.55 119.36 3df9 h SER 48 Ca -0.29 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.03 3df9 h SER 48 Cb 1.11 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.20 3df9 h SER 48 CO 0.91 0.88 0.00 0.61 -0.87 0.00 0.00 176.83 178.36 3df9 n GLY 49 N 1.48 -0.38 3.83 -0.77 0.00 -0.35 -4.40 105.19 104.59 3df9 n GLY 49 Ca -0.12 -1.83 -0.36 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 -1.08 5.32 0.00 -0.61 -1.09 -1.26 -4.35 121.20 118.13 3df9 s ILE 50 Ca 0.00 0.14 0.00 0.00 -2.23 0.00 0.00 60.65 58.56 3df9 s ILE 50 Cb 0.00 -3.32 0.00 0.00 -1.58 0.00 0.00 42.46 37.56 3df9 s ILE 50 CO 0.00 0.60 0.00 0.61 -1.23 0.00 0.00 174.94 174.92 3df9 n GLY 51 N 2.19 0.93 0.19 6.18 0.00 -1.25 -4.44 105.19 109.00 3df9 n GLY 51 Ca -0.19 -2.03 -0.13 0.00 0.00 0.00 0.00 46.02 43.66 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 0.61 -0.25 1.61 1.57 -1.83 -2.22 116.57 116.06 3df9 h LYS 52 Ca 0.00 -0.33 -0.08 0.00 -1.87 0.00 0.00 60.65 58.37 3df9 h LYS 52 Cb 0.00 0.01 -0.01 0.00 0.08 0.00 0.00 32.23 32.32 3df9 h LYS 52 CO 0.00 0.93 -0.16 0.28 -0.57 0.00 0.00 179.45 179.93 3df9 h VAL 53 N 0.32 1.31 -0.08 0.50 2.07 -1.91 -0.29 116.25 118.17 3df9 h VAL 53 Ca 0.04 -1.27 0.03 0.00 0.82 0.00 0.00 66.70 66.32 3df9 h VAL 53 Cb 0.82 1.59 -0.04 0.00 -1.52 0.00 0.00 31.29 32.14 3df9 h VAL 53 CO 0.06 0.40 -0.14 0.00 0.02 0.00 0.00 177.57 177.91 3df9 h ALA 54 N 0.71 -0.09 -0.51 1.67 0.00 -1.77 0.94 119.26 120.21 3df9 h ALA 54 Ca 0.05 0.04 0.07 0.00 0.00 0.00 0.00 54.91 55.06 3df9 h ALA 54 Cb 0.69 0.27 -0.06 0.00 0.00 0.00 0.00 17.79 18.69 3df9 h ALA 54 CO 0.04 -0.60 0.20 0.00 0.00 0.00 0.00 179.25 178.89 3df9 h ALA 55 N 0.84 0.63 -0.02 0.00 0.00 -1.36 0.20 119.26 119.54 3df9 h ALA 55 Ca 0.08 0.06 -0.00 0.00 0.00 0.00 0.00 54.91 55.04 3df9 h ALA 55 Cb 0.30 0.02 -0.00 0.00 0.00 0.00 0.00 17.79 18.11 3df9 h ALA 55 CO -0.20 -0.19 0.00 0.00 0.00 0.00 0.00 179.25 178.86 3df9 h ALA 56 N 1.33 0.02 -0.14 0.00 0.00 -0.62 0.25 119.26 120.11 3df9 h ALA 56 Ca 0.24 -0.12 0.04 0.00 0.00 0.00 0.00 54.91 55.07 3df9 h ALA 56 Cb 0.25 -0.01 -0.04 0.00 0.00 0.00 0.00 17.79 17.99 3df9 h ALA 56 CO -0.24 -0.35 -0.13 1.25 0.00 0.00 0.00 179.25 179.78 3df9 h LEU 57 N -0.20 -0.41 -0.47 0.00 6.46 -0.77 -0.77 115.31 119.14 3df9 h LEU 57 Ca 0.01 0.08 0.01 0.00 -0.12 0.00 0.00 57.88 57.86 3df9 h LEU 57 Cb 0.24 0.20 -0.03 0.00 -0.73 0.00 0.00 40.66 40.35 3df9 h LEU 57 CO 0.00 -0.17 0.30 1.23 -0.62 0.00 0.00 178.44 179.18 3df9 h GLY 58 N -0.15 0.67 0.98 3.75 0.00 -0.77 -1.49 103.07 106.06 3df9 h GLY 58 Ca 0.09 -0.24 -0.05 0.00 0.00 0.00 0.00 47.33 47.14 3df9 h GLY 58 CO -0.23 0.22 0.11 0.00 0.00 0.00 0.00 176.54 176.64 3df9 h ALA 59 N 1.19 0.67 -0.22 3.60 0.00 -0.31 -0.38 119.26 123.80 3df9 h ALA 59 Ca 0.18 -0.22 0.01 0.00 0.00 0.00 0.00 54.91 54.88 3df9 h ALA 59 Cb -0.04 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 17.54 3df9 h ALA 59 CO -0.05 0.38 0.13 1.15 0.00 0.00 0.00 179.25 180.86 3df9 h THR 60 N 0.70 1.03 -0.15 0.00 2.02 -0.94 -0.42 112.91 115.16 3df9 h THR 60 Ca 0.16 -0.10 0.01 0.00 0.77 0.00 0.00 66.41 67.25 3df9 h THR 60 Cb 0.36 0.73 -0.01 0.00 -1.74 0.00 0.00 68.15 67.49 3df9 h THR 60 CO 0.00 0.05 0.08 -0.07 0.37 0.00 0.00 175.52 175.96 3df9 h LEU 61 N 0.28 0.13 -0.44 2.58 3.38 -1.07 -0.93 115.31 119.24 3df9 h LEU 61 Ca 0.09 0.00 0.06 0.00 0.09 0.00 0.00 57.88 58.12 3df9 h LEU 61 Cb -0.01 -0.03 -0.05 0.00 0.09 0.00 0.00 40.66 40.66 3df9 h LEU 61 CO -0.03 0.10 0.15 0.25 0.09 0.00 0.00 178.44 178.99 3df9 h LEU 62 N 0.18 0.14 -0.42 1.67 5.85 -0.87 0.23 115.31 122.08 3df9 h LEU 62 Ca 0.06 0.05 -0.04 0.00 0.84 0.00 0.00 57.88 58.79 3df9 h LEU 62 Cb -0.00 0.04 -0.02 0.00 0.37 0.00 0.00 40.66 41.05 3df9 h LEU 62 CO -0.03 0.11 0.09 -0.07 -0.34 0.00 0.00 178.44 178.21 3df9 h LEU 63 N 0.31 0.65 -0.39 2.25 3.38 -0.95 -0.18 115.31 120.38 3df9 h LEU 63 Ca 0.21 -0.24 -0.09 0.00 0.09 0.00 0.00 57.88 57.85 3df9 h LEU 63 Cb 0.21 -0.17 -0.01 0.00 0.09 0.00 0.00 40.66 40.78 3df9 h LEU 63 CO -0.22 0.72 -0.09 -0.33 0.09 0.00 0.00 178.44 178.62 3df9 h GLU 64 N 0.55 0.75 0.00 1.13 4.39 -0.91 -1.90 114.58 118.59 3df9 h GLU 64 Ca 0.13 -0.29 -0.16 0.00 0.34 0.00 0.00 59.36 59.38 3df9 h GLU 64 Cb 0.33 -0.04 -0.03 0.00 -0.10 0.00 0.00 28.75 28.91 3df9 h GLU 64 CO 0.00 0.89 -1.30 0.45 -1.16 0.00 0.00 179.01 177.89 3df9 h HIS 65 N 0.57 0.00 0.00 4.33 3.86 -0.54 -3.40 115.15 119.96 3df9 h HIS 65 Ca 0.10 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.31 3df9 h HIS 65 Cb 0.60 0.00 0.00 0.00 1.06 0.00 0.00 27.41 29.07 3df9 h HIS 65 CO 0.05 0.59 -0.61 0.00 0.86 0.00 0.00 177.93 178.82 3df9 n LYS 67 N -1.16 -0.75 -1.82 0.00 5.02 -0.71 -4.91 118.16 113.83 3df9 n LYS 67 Ca 0.00 0.11 -0.35 0.00 -2.02 0.00 0.00 58.31 56.05 3df9 n LYS 67 Cb 0.00 -3.14 0.05 0.00 -0.02 0.00 0.00 35.03 31.92 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 -7.33 2.71 0.21 1.97 0.04 -1.26 -4.94 135.00 126.41 3df9 s PRO 68 Ca 0.25 1.78 0.03 0.00 0.04 0.00 0.00 61.00 63.11 3df9 s PRO 68 Cb -0.14 -1.90 0.15 0.00 0.04 0.00 0.00 34.50 32.66 3df9 s PRO 68 CO 0.98 -1.40 1.49 -0.44 0.04 0.00 0.00 177.00 177.67 3df9 h ASP 69 N 0.47 0.28 -5.28 6.66 5.19 -1.36 -3.47 116.42 118.91 3df9 h ASP 69 Ca -0.49 -0.18 -0.13 0.00 -0.62 0.00 0.00 57.03 55.61 3df9 h ASP 69 Cb 1.29 -0.08 -0.14 0.00 0.18 0.00 0.00 39.33 40.58 3df9 h ASP 69 CO 0.53 0.89 -0.57 0.68 -3.12 0.00 0.00 179.24 177.66 3df9 s VAL 70 N -3.57 0.15 -0.08 -1.35 -7.23 -1.26 -4.32 120.40 102.75 3df9 s VAL 70 Ca -0.04 -1.67 0.04 0.00 -1.81 0.00 0.00 61.98 58.51 3df9 s VAL 70 Cb 0.11 -1.67 0.00 0.00 0.56 0.00 0.00 36.38 35.38 3df9 s VAL 70 CO 0.81 -0.70 -0.20 -0.63 -0.31 0.00 0.00 175.10 174.07 3df9 s ILE 71 N -3.95 1.72 -0.19 -0.62 -1.09 0.22 -1.33 121.20 115.95 3df9 s ILE 71 Ca 0.13 -0.84 -0.02 0.00 -2.23 0.00 0.00 60.65 57.69 3df9 s ILE 71 Cb 0.07 -1.49 0.00 0.00 -1.58 0.00 0.00 42.46 39.46 3df9 s ILE 71 CO -0.06 0.48 -0.11 -0.63 -1.23 0.00 0.00 174.94 173.39 3df9 s ILE 72 N 0.30 2.84 -0.26 2.92 1.01 0.74 -1.41 121.20 127.34 3df9 s ILE 72 Ca -0.13 -0.68 -0.15 0.00 0.00 0.00 0.00 60.65 59.69 3df9 s ILE 72 Cb -0.16 -2.25 -0.04 0.00 0.01 0.00 0.00 42.46 40.03 3df9 s ILE 72 CO 0.06 0.48 0.37 0.21 0.00 0.00 0.00 174.94 176.06 3df9 s ASN 73 N 1.26 6.27 0.35 3.58 3.04 -0.05 -0.46 114.94 128.93 3df9 s ASN 73 Ca 0.03 0.31 0.08 0.00 0.04 0.00 0.00 52.86 53.33 3df9 s ASN 73 Cb -0.14 -2.21 -0.04 0.00 -1.54 0.00 0.00 41.25 37.31 3df9 s ASN 73 CO -0.05 -0.17 0.14 0.28 -3.04 0.00 0.00 177.10 174.25 3df9 s THR 74 N 1.98 2.86 -2.38 -5.21 -1.32 0.14 -0.99 115.64 110.72 3df9 s THR 74 Ca 0.15 -1.72 0.00 0.00 -1.21 0.00 0.00 61.69 58.91 3df9 s THR 74 Cb -0.16 -2.96 0.00 0.00 -1.51 0.00 0.00 72.50 67.88 3df9 s THR 74 CO 0.10 -0.15 0.00 0.61 -2.21 0.00 0.00 174.62 172.96 3df9 n GLY 75 N -1.15 0.71 3.96 6.08 0.00 -1.26 -4.41 105.19 109.12 3df9 n GLY 75 Ca -0.03 -2.10 -0.23 0.00 0.00 0.00 0.00 46.02 43.67 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 5.31 0.13 1.61 1.04 -1.26 -1.64 113.70 114.89 3df9 s SER 76 Ca 0.00 0.17 -0.21 0.00 0.48 0.00 0.00 55.95 56.40 3df9 s SER 76 Cb 0.00 -1.09 0.06 0.00 0.10 0.00 0.00 66.02 65.09 3df9 s SER 76 CO 0.00 -1.14 0.52 0.00 0.98 0.00 0.00 173.24 173.60 3df9 s ALA 77 N -2.83 -1.34 -0.15 5.32 0.00 -0.90 -4.73 121.76 117.13 3df9 s ALA 77 Ca 0.56 0.32 -0.20 0.00 0.00 0.00 0.00 51.96 52.64 3df9 s ALA 77 Cb -0.10 0.75 -0.03 0.00 0.00 0.00 0.00 23.12 23.74 3df9 s ALA 77 CO 0.40 -0.69 0.59 0.20 0.00 0.00 0.00 175.76 176.26 3df9 s GLY 78 N -2.66 2.27 0.16 0.00 0.00 0.05 -1.81 107.32 105.32 3df9 s GLY 78 Ca 0.01 -0.17 -0.30 0.00 0.00 0.00 0.00 44.72 44.26 3df9 s GLY 78 CO -0.11 1.11 0.97 -0.32 0.00 0.00 0.00 173.10 174.75 3df9 s GLY 79 N 0.95 3.03 0.00 0.20 0.00 0.26 -0.81 107.32 110.95 3df9 s GLY 79 Ca 0.30 0.61 0.00 0.00 0.00 0.00 0.00 44.72 45.63 3df9 s GLY 79 CO 0.12 1.38 0.00 1.04 0.00 0.00 0.00 173.10 175.64 3df9 n LEU 80 N 2.30 0.00 -4.76 0.66 4.77 -0.47 -4.25 117.00 115.25 3df9 n LEU 80 Ca 0.01 0.00 -0.41 0.00 -0.03 0.00 0.00 56.01 55.58 3df9 n LEU 80 Cb 0.48 0.00 -0.03 0.00 -2.33 0.00 0.00 43.42 41.54 3df9 n LEU 80 CO 0.51 0.00 0.91 0.00 -1.33 0.00 0.00 177.39 177.48 3df9 s ALA 81 N -1.86 3.47 0.20 -1.18 0.00 -1.01 -4.95 121.76 116.43 3df9 s ALA 81 Ca 0.00 1.13 -0.10 0.00 0.00 0.00 0.00 51.96 52.99 3df9 s ALA 81 Cb 0.00 -3.43 0.25 0.00 0.00 0.00 0.00 23.12 19.94 3df9 s ALA 81 CO 0.00 -0.47 1.76 -1.00 0.00 0.00 0.00 175.76 176.04 3df9 h PRO 82 N 3.59 0.43 0.00 0.00 0.13 -1.96 -2.67 132.00 131.53 3df9 h PRO 82 Ca -0.48 -0.03 0.00 0.00 -0.87 0.00 0.00 66.00 64.62 3df9 h PRO 82 Cb 1.22 -0.10 0.00 0.00 0.13 0.00 0.00 31.00 32.25 3df9 h PRO 82 CO 0.66 0.29 0.00 0.25 -0.23 0.00 0.00 178.00 178.97 3df9 n THR 83 N -4.96 0.00 -2.99 1.56 -2.24 -1.26 -4.82 114.28 99.57 3df9 n THR 83 Ca 0.08 0.00 -0.40 0.00 -2.27 0.00 0.00 64.05 61.46 3df9 n THR 83 Cb 0.24 -0.47 -0.04 0.00 -2.10 0.00 0.00 70.33 67.95 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 -1.86 4.35 0.29 3.22 1.43 -1.01 -5.02 118.68 120.07 3df9 s LEU 84 Ca 0.38 1.30 0.11 0.00 -1.03 0.00 0.00 54.13 54.88 3df9 s LEU 84 Cb 0.17 -3.17 -0.05 0.00 0.03 0.00 0.00 46.19 43.17 3df9 s LEU 84 CO 0.29 -0.11 -0.10 -0.54 0.23 0.00 0.00 176.35 176.12 3df9 s LYS 85 N 0.66 1.95 0.11 1.70 1.02 -1.26 -4.99 119.74 118.93 3df9 s LYS 85 Ca 0.40 -1.66 -0.36 0.00 0.02 0.00 0.00 55.97 54.37 3df9 s LYS 85 Cb -0.19 -1.92 -0.15 0.00 -0.52 0.00 0.00 37.83 35.05 3df9 s LYS 85 CO 0.20 0.30 1.45 0.28 -0.92 0.00 0.00 175.35 176.67 3df9 n VAL 86 N -0.77 0.01 0.00 3.17 0.31 -1.26 -2.16 118.33 117.63 3df9 n VAL 86 Ca -0.05 -0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.27 3df9 n VAL 86 Cb 0.60 -1.14 0.00 0.00 -0.91 0.00 0.00 33.84 32.39 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 2.95 3.03 3.71 2.92 0.00 0.10 -4.94 105.19 112.96 3df9 n GLY 87 Ca 0.18 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.88 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 0.13 3.63 -0.05 1.61 -0.00 -0.92 -4.45 116.67 116.62 3df9 s ASP 88 Ca 0.00 2.13 -0.13 0.00 -0.00 0.00 0.00 52.55 54.55 3df9 s ASP 88 Cb 0.00 -2.56 -0.05 0.00 -0.00 0.00 0.00 42.92 40.31 3df9 s ASP 88 CO 0.00 -2.63 0.34 -0.63 -0.00 0.00 0.00 175.17 172.25 3df9 s ILE 89 N -2.57 5.18 -0.08 0.77 -1.09 -0.19 -1.21 121.20 122.00 3df9 s ILE 89 Ca 0.67 0.68 0.02 0.00 -2.23 0.00 0.00 60.65 59.79 3df9 s ILE 89 Cb -0.23 -3.64 -0.02 0.00 -1.58 0.00 0.00 42.46 36.99 3df9 s ILE 89 CO 0.54 0.54 -0.15 0.68 -1.23 0.00 0.00 174.94 175.33 3df9 s VAL 90 N -0.74 2.95 -0.10 2.92 -7.23 0.44 -1.58 120.40 117.07 3df9 s VAL 90 Ca 0.21 -0.74 0.04 0.00 -1.81 0.00 0.00 61.98 59.68 3df9 s VAL 90 Cb -0.15 -2.18 -0.00 0.00 0.56 0.00 0.00 36.38 34.60 3df9 s VAL 90 CO 0.10 0.56 -0.22 -0.69 -0.31 0.00 0.00 175.10 174.54 3df9 s VAL 91 N -0.22 2.21 0.03 1.32 1.01 -0.61 -1.45 120.40 122.69 3df9 s VAL 91 Ca 0.00 -0.97 -0.30 0.00 0.00 0.00 0.00 61.98 60.71 3df9 s VAL 91 Cb -0.13 -1.85 -0.05 0.00 0.00 0.00 0.00 36.38 34.35 3df9 s VAL 91 CO 0.03 0.56 1.14 -0.94 0.00 0.00 0.00 175.10 175.88 3df9 s SER 92 N 0.29 7.16 0.12 3.32 1.04 -0.52 -2.18 113.70 122.93 3df9 s SER 92 Ca -0.16 1.89 0.23 0.00 0.48 0.00 0.00 55.95 58.38 3df9 s SER 92 Cb -0.17 -2.57 -0.03 0.00 0.10 0.00 0.00 66.02 63.34 3df9 s SER 92 CO 0.08 -0.43 0.95 -0.90 0.98 0.00 0.00 173.24 173.93 3df9 n ASP 93 N 4.08 0.63 -3.68 7.02 5.68 -0.51 -4.63 116.55 125.14 3df9 n ASP 93 Ca 0.08 0.14 -0.05 0.00 -0.50 0.00 0.00 54.79 54.47 3df9 n ASP 93 Cb 0.48 0.79 -0.01 0.00 -1.14 0.00 0.00 41.12 41.23 3df9 n ASP 93 CO 0.00 0.00 0.00 -1.83 -1.33 0.00 0.00 177.20 174.04 3df9 s GLU 94 N -3.35 1.05 -0.02 0.11 -1.05 -1.25 -1.24 118.70 112.96 3df9 s GLU 94 Ca -0.01 -0.54 -0.00 0.00 -0.15 0.00 0.00 54.97 54.27 3df9 s GLU 94 Cb 0.12 0.39 0.03 0.00 -0.44 0.00 0.00 34.13 34.22 3df9 s GLU 94 CO 0.81 -0.48 0.03 0.00 0.95 0.00 0.00 175.26 176.57 3df9 s ALA 95 N -3.20 0.08 0.04 -0.84 0.00 -0.59 -1.40 121.76 115.85 3df9 s ALA 95 Ca 0.10 0.31 0.03 0.00 0.00 0.00 0.00 51.96 52.40 3df9 s ALA 95 Cb -0.01 -0.25 -0.02 0.00 0.00 0.00 0.00 23.12 22.84 3df9 s ALA 95 CO -0.01 -0.11 -0.09 1.03 0.00 0.00 0.00 175.76 176.58 3df9 s ARG 96 N 1.08 0.61 -0.07 0.00 0.52 -1.00 -0.69 118.95 119.40 3df9 s ARG 96 Ca -0.09 -0.70 -0.30 0.00 -0.52 0.00 0.00 55.73 54.12 3df9 s ARG 96 Cb -0.13 -0.48 -0.03 0.00 0.52 0.00 0.00 34.95 34.83 3df9 s ARG 96 CO -0.03 0.10 1.27 0.71 0.02 0.00 0.00 175.30 177.37 3df9 s TYR 97 N -1.10 2.99 -0.88 -0.53 4.12 -1.26 -1.58 117.35 119.12 3df9 s TYR 97 Ca -0.05 1.05 0.27 0.00 0.02 0.00 0.00 57.07 58.35 3df9 s TYR 97 Cb -0.08 -3.51 0.88 0.00 -1.52 0.00 0.00 41.96 37.72 3df9 s TYR 97 CO 0.01 -1.72 1.72 -2.39 0.02 0.00 0.00 175.55 173.19 3df9 n HIS 98 N 5.66 0.33 -0.45 2.71 1.44 0.23 -4.02 115.22 121.12 3df9 n HIS 98 Ca 0.12 0.10 0.06 0.00 -2.01 0.00 0.00 57.72 55.99 3df9 n HIS 98 Cb 0.45 -0.60 0.16 0.00 0.12 0.00 0.00 29.99 30.12 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 -1.79 3.02 -4.75 4.39 5.75 -1.25 -4.86 116.55 117.06 3df9 n ASP 99 Ca 0.06 -2.37 -0.36 0.00 -0.01 0.00 0.00 54.79 52.10 3df9 n ASP 99 Cb 0.38 -0.30 -0.07 0.00 -1.03 0.00 0.00 41.12 40.10 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 -1.66 3.63 -0.30 2.12 0.00 -1.26 -5.03 121.76 119.27 3df9 s ALA 100 Ca 0.26 -0.47 0.01 0.00 0.00 0.00 0.00 51.96 51.76 3df9 s ALA 100 Cb 0.18 -2.34 0.15 0.00 0.00 0.00 0.00 23.12 21.11 3df9 s ALA 100 CO 0.11 0.17 0.35 0.34 0.00 0.00 0.00 175.76 176.73 3df9 s ASP 101 N 0.20 1.12 -0.21 0.00 -1.08 -1.26 -0.97 116.67 114.47 3df9 s ASP 101 Ca 0.16 -0.66 0.12 0.00 -0.52 0.00 0.00 52.55 51.66 3df9 s ASP 101 Cb -0.13 0.76 0.44 0.00 -1.46 0.00 0.00 42.92 42.53 3df9 s ASP 101 CO 0.04 -0.37 1.20 0.52 0.52 0.00 0.00 175.17 177.08 3df9 n VAL 102 N 5.26 1.99 0.30 1.11 0.31 -1.26 -4.80 118.33 121.24 3df9 n VAL 102 Ca -0.00 -3.25 0.17 0.00 -0.01 0.00 0.00 64.34 61.25 3df9 n VAL 102 Cb 0.47 -0.26 0.91 0.00 -0.91 0.00 0.00 33.84 34.06 3df9 n VAL 102 CO 0.00 0.00 0.00 0.71 -1.32 0.00 0.00 176.83 176.22 3df9 h THR 103 N 2.30 0.30 -0.19 2.52 1.35 -1.86 -1.03 112.91 116.29 3df9 h THR 103 Ca 0.07 -0.27 0.06 0.00 -0.55 0.00 0.00 66.41 65.72 3df9 h THR 103 Cb 1.27 1.20 -0.01 0.00 -1.73 0.00 0.00 68.15 68.88 3df9 h THR 103 CO 0.24 0.04 0.16 0.00 -0.25 0.00 0.00 175.52 175.72 3df9 h ALA 104 N 1.96 2.00 -0.39 6.62 0.00 -1.87 -1.34 119.26 126.24 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 0.20 0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.00 3df9 h ALA 104 CO 0.01 -0.26 0.00 1.19 0.00 0.00 0.00 179.25 180.18 3df9 n PHE 105 N -4.17 1.39 -0.86 0.00 3.72 -0.39 -4.96 117.46 112.20 3df9 n PHE 105 Ca 0.02 -0.81 0.00 0.00 -0.05 0.00 0.00 57.45 56.61 3df9 n PHE 105 Cb 0.30 -0.39 0.00 0.00 -0.94 0.00 0.00 39.48 38.45 3df9 n PHE 105 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 3df9 n GLY 106 N -0.02 0.53 3.84 1.37 0.00 -0.50 -5.04 105.19 105.36 3df9 n GLY 106 Ca 0.24 -0.37 -0.32 0.00 0.00 0.00 0.00 46.02 45.57 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 3.43 0.49 1.61 2.02 -1.22 -5.01 117.35 116.67 3df9 s TYR 107 Ca 0.00 1.41 -0.23 0.00 -0.37 0.00 0.00 57.07 57.88 3df9 s TYR 107 Cb 0.00 -2.73 -0.07 0.00 -0.40 0.00 0.00 41.96 38.76 3df9 s TYR 107 CO 0.00 -0.27 1.28 -2.00 -1.57 0.00 0.00 175.55 172.99 3df9 s GLU 108 N -3.87 3.52 0.24 -0.62 2.12 -1.26 -4.08 118.70 114.75 3df9 s GLU 108 Ca 0.58 2.07 -0.31 0.00 0.36 0.00 0.00 54.97 57.66 3df9 s GLU 108 Cb -0.10 -2.41 -0.13 0.00 0.26 0.00 0.00 34.13 31.75 3df9 s GLU 108 CO 0.28 -0.83 1.51 0.98 -0.54 0.00 0.00 175.26 176.66 3df9 n TYR 109 N -0.60 2.40 0.00 5.30 9.36 -1.26 -1.34 117.16 131.01 3df9 n TYR 109 Ca 0.08 0.33 0.00 0.00 3.32 0.00 0.00 57.90 61.63 3df9 n TYR 109 Cb 0.46 -2.52 0.00 0.00 -0.63 0.00 0.00 39.34 36.64 3df9 n TYR 109 CO 0.00 0.00 0.00 0.41 0.22 0.00 0.00 176.86 177.49 3df9 n GLY 110 N 2.49 2.18 3.76 2.98 0.00 -0.14 -5.02 105.19 111.44 3df9 n GLY 110 Ca 0.12 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.76 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 -0.58 4.27 -0.05 1.61 0.74 -0.45 -3.98 119.66 121.22 3df9 s GLN 111 Ca 0.00 0.60 -0.07 0.00 0.05 0.00 0.00 55.36 55.94 3df9 s GLN 111 Cb 0.00 -3.36 -0.04 0.00 1.10 0.00 0.00 33.01 30.71 3df9 s GLN 111 CO 0.00 0.34 0.22 -0.51 -0.55 0.00 0.00 175.29 174.80 3df9 s LEU 112 N -0.05 4.39 0.29 3.68 1.43 -1.26 -4.37 118.68 122.80 3df9 s LEU 112 Ca 0.28 0.55 -0.29 0.00 -1.03 0.00 0.00 54.13 53.64 3df9 s LEU 112 Cb -0.17 -2.41 -0.13 0.00 0.03 0.00 0.00 46.19 43.52 3df9 s LEU 112 CO 0.14 0.33 1.34 -2.65 0.23 0.00 0.00 176.35 175.74 3df9 n PRO 113 N 1.54 2.08 -0.13 1.29 -0.02 -1.26 -1.22 135.00 137.28 3df9 n PRO 113 Ca -0.15 0.73 0.00 0.00 -2.02 0.00 0.00 63.50 62.06 3df9 n PRO 113 Cb 0.54 -2.35 0.00 0.00 -0.02 0.00 0.00 33.50 31.67 3df9 n PRO 113 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3df9 n GLY 114 N 1.44 1.67 3.50 -1.23 0.00 -1.26 -5.04 105.19 104.27 3df9 n GLY 114 Ca 0.08 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.83 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 -2.62 1.53 0.47 0.00 0.04 -1.26 -4.68 135.00 128.47 3df9 s PRO 116 Ca 0.22 1.50 0.13 0.00 0.04 0.00 0.00 61.00 62.88 3df9 s PRO 116 Cb -0.09 -1.79 1.08 0.00 0.04 0.00 0.00 34.50 33.74 3df9 s PRO 116 CO 0.12 -2.24 2.09 0.00 0.04 0.00 0.00 177.00 177.01 3df9 h ALA 117 N -1.39 1.91 -2.61 8.56 0.00 -1.95 -3.43 119.26 120.36 3df9 h ALA 117 Ca -0.44 -0.01 -0.11 0.00 0.00 0.00 0.00 54.91 54.35 3df9 h ALA 117 Cb 1.26 -0.08 -0.13 0.00 0.00 0.00 0.00 17.79 18.85 3df9 h ALA 117 CO 0.45 0.06 -0.35 0.20 0.00 0.00 0.00 179.25 179.61 3df9 s GLY 118 N -3.88 0.46 -0.25 0.00 0.00 -1.26 -4.33 107.32 98.07 3df9 s GLY 118 Ca -0.07 -0.89 -0.04 0.00 0.00 0.00 0.00 44.72 43.72 3df9 s GLY 118 CO 0.71 -0.87 -0.01 -1.36 0.00 0.00 0.00 173.10 171.57 3df9 s PHE 119 N -3.96 3.04 -0.02 1.90 0.08 0.14 -4.93 117.98 114.23 3df9 s PHE 119 Ca 0.16 -1.04 -0.29 0.00 0.12 0.00 0.00 56.93 55.88 3df9 s PHE 119 Cb 0.04 -2.14 -0.03 0.00 -0.57 0.00 0.00 43.02 40.32 3df9 s PHE 119 CO -0.01 -0.58 0.95 0.15 -0.10 0.00 0.00 175.22 175.63 3df9 s LYS 120 N 1.46 4.53 0.80 0.44 1.02 -1.26 -1.54 119.74 125.19 3df9 s LYS 120 Ca 0.04 1.36 -0.11 0.00 0.02 0.00 0.00 55.97 57.28 3df9 s LYS 120 Cb -0.16 -3.47 0.07 0.00 -0.52 0.00 0.00 37.83 33.76 3df9 s LYS 120 CO -0.02 -0.06 1.09 0.00 -0.92 0.00 0.00 175.35 175.44 3df9 s ALA 121 N 1.08 2.13 -0.07 5.17 0.00 -0.37 -4.84 121.76 124.85 3df9 s ALA 121 Ca 0.50 0.12 -0.30 0.00 0.00 0.00 0.00 51.96 52.29 3df9 s ALA 121 Cb -0.20 -3.23 -0.02 0.00 0.00 0.00 0.00 23.12 19.67 3df9 s ALA 121 CO 0.26 -1.84 1.07 0.34 0.00 0.00 0.00 175.76 175.58 3df9 s ASP 122 N -3.49 7.19 0.21 0.00 2.15 -0.25 -4.91 116.67 117.57 3df9 s ASP 122 Ca 0.61 1.65 -0.11 0.00 0.43 0.00 0.00 52.55 55.13 3df9 s ASP 122 Cb -0.17 -2.56 0.27 0.00 -0.30 0.00 0.00 42.92 40.17 3df9 s ASP 122 CO 0.56 -0.47 1.67 0.44 -0.17 0.00 0.00 175.17 177.20 3df9 h ASP 123 N 7.16 -0.22 -0.56 -0.34 3.32 -1.93 -1.09 116.42 122.76 3df9 h ASP 123 Ca -0.33 0.14 -0.01 0.00 0.02 0.00 0.00 57.03 56.84 3df9 h ASP 123 Cb 1.16 0.24 -0.03 0.00 0.22 0.00 0.00 39.33 40.92 3df9 h ASP 123 CO 0.85 -0.09 0.31 0.11 -1.72 0.00 0.00 179.24 178.70 3df9 h LYS 124 N 0.14 0.79 -0.37 3.56 1.57 -1.99 -0.62 116.57 119.65 3df9 h LYS 124 Ca 0.31 -0.09 -0.00 0.00 -1.87 0.00 0.00 60.65 58.99 3df9 h LYS 124 Cb 0.48 -0.15 -0.02 0.00 0.08 0.00 0.00 32.23 32.62 3df9 h LYS 124 CO -0.48 0.61 0.23 -0.07 -0.57 0.00 0.00 179.45 179.16 3df9 h LEU 125 N 0.76 0.43 -0.74 2.94 4.07 -1.77 -1.48 115.31 119.52 3df9 h LEU 125 Ca 0.20 -0.04 0.00 0.00 0.08 0.00 0.00 57.88 58.12 3df9 h LEU 125 Cb 0.05 -0.11 -0.04 0.00 1.08 0.00 0.00 40.66 41.65 3df9 h LEU 125 CO -0.03 0.35 0.47 0.40 -1.08 0.00 0.00 178.44 178.55 3df9 h ILE 126 N 0.48 1.20 -0.38 1.22 2.04 -1.11 -0.70 117.51 120.26 3df9 h ILE 126 Ca 0.13 -0.38 -0.01 0.00 1.00 0.00 0.00 64.86 65.60 3df9 h ILE 126 Cb -0.01 0.13 -0.02 0.00 -0.74 0.00 0.00 36.82 36.18 3df9 h ILE 126 CO -0.03 0.19 0.19 0.00 0.00 0.00 0.00 178.15 178.51 3df9 h ALA 127 N 1.26 0.49 -0.56 1.87 0.00 -0.74 0.08 119.26 121.67 3df9 h ALA 127 Ca 0.27 -0.10 -0.10 0.00 0.00 0.00 0.00 54.91 54.98 3df9 h ALA 127 Cb -0.09 -0.15 -0.02 0.00 0.00 0.00 0.00 17.79 17.53 3df9 h ALA 127 CO -0.06 0.05 -0.04 0.00 0.00 0.00 0.00 179.25 179.21 3df9 h ALA 128 N 1.04 0.76 -0.84 0.00 0.00 -1.12 -1.23 119.26 117.86 3df9 h ALA 128 Ca 0.13 -0.32 0.02 0.00 0.00 0.00 0.00 54.91 54.75 3df9 h ALA 128 Cb 0.11 -0.20 -0.05 0.00 0.00 0.00 0.00 17.79 17.65 3df9 h ALA 128 CO -0.02 0.62 0.55 0.00 0.00 0.00 0.00 179.25 180.40 3df9 h ALA 129 N 0.95 1.09 -0.41 0.00 0.00 -0.81 -1.21 119.26 118.87 3df9 h ALA 129 Ca 0.15 -0.04 -0.06 0.00 0.00 0.00 0.00 54.91 54.95 3df9 h ALA 129 Cb 0.59 -0.31 -0.02 0.00 0.00 0.00 0.00 17.79 18.05 3df9 h ALA 129 CO 0.04 0.42 -0.01 0.93 0.00 0.00 0.00 179.25 180.62 3df9 h GLU 130 N 1.09 0.67 -0.54 0.00 4.39 -0.60 -1.96 114.58 117.64 3df9 h GLU 130 Ca 0.33 -0.17 -0.08 0.00 0.34 0.00 0.00 59.36 59.78 3df9 h GLU 130 Cb -0.05 -0.08 -0.02 0.00 -0.10 0.00 0.00 28.75 28.49 3df9 h GLU 130 CO -0.09 0.69 0.04 0.00 -1.16 0.00 0.00 179.01 178.49 3df9 h ALA 131 N 1.36 0.72 -0.70 3.43 0.00 -0.79 -2.35 119.26 120.93 3df9 h ALA 131 Ca 0.13 -0.27 -0.06 0.00 0.00 0.00 0.00 54.91 54.70 3df9 h ALA 131 Cb 0.41 -0.20 -0.03 0.00 0.00 0.00 0.00 17.79 17.97 3df9 h ALA 131 CO 0.02 0.51 0.20 0.00 0.00 0.00 0.00 179.25 179.97 3df9 h ILE 133 N 1.05 0.84 -0.23 0.00 2.04 -1.28 0.12 117.51 120.05 3df9 h ILE 133 Ca 0.23 0.00 0.05 0.00 1.00 0.00 0.00 64.86 66.13 3df9 h ILE 133 Cb 0.32 0.84 -0.04 0.00 -0.74 0.00 0.00 36.82 37.20 3df9 h ILE 133 CO -0.00 0.00 -0.06 0.00 0.00 0.00 0.00 178.15 178.09 3df9 h ALA 134 N 0.87 0.16 -0.41 1.87 0.00 -1.28 0.05 119.26 120.52 3df9 h ALA 134 Ca 0.02 0.09 -0.05 0.00 0.00 0.00 0.00 54.91 54.97 3df9 h ALA 134 Cb 0.14 0.18 -0.02 0.00 0.00 0.00 0.00 17.79 18.08 3df9 h ALA 134 CO -0.06 -0.47 0.03 0.93 0.00 0.00 0.00 179.25 179.69 3df9 h GLU 135 N 0.00 0.65 -0.01 0.00 5.08 -1.17 -1.98 114.58 117.14 3df9 h GLU 135 Ca 0.11 -0.14 0.00 0.00 -1.00 0.00 0.00 59.36 58.33 3df9 h GLU 135 Cb 0.17 -0.09 0.00 0.00 0.50 0.00 0.00 28.75 29.33 3df9 h GLU 135 CO -0.24 0.64 -0.23 1.28 -1.00 0.00 0.00 179.01 179.47 3df9 n LEU 136 N -4.27 0.73 -3.48 1.33 4.77 0.42 -4.97 117.00 111.53 3df9 n LEU 136 Ca 0.02 -0.11 -0.19 0.00 -0.03 0.00 0.00 56.01 55.71 3df9 n LEU 136 Cb 0.25 -0.17 0.07 0.00 -2.33 0.00 0.00 43.42 41.23 3df9 n LEU 136 CO 0.40 0.14 0.03 -3.20 -1.33 0.00 0.00 177.39 173.42 3df9 n ASN 137 N -0.90 -3.31 -4.74 -1.43 5.15 -0.04 -5.00 115.26 104.99 3df9 n ASN 137 Ca 0.12 -0.73 -0.23 0.00 -0.60 0.00 0.00 54.58 53.14 3df9 n ASN 137 Cb 0.32 -4.72 -0.06 0.00 -0.53 0.00 0.00 39.78 34.80 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 -6.20 3.54 -0.10 1.20 1.43 -0.90 -5.06 118.68 112.59 3df9 s LEU 138 Ca 0.16 -0.40 -0.19 0.00 -1.03 0.00 0.00 54.13 52.67 3df9 s LEU 138 Cb -0.03 -2.08 -0.04 0.00 0.03 0.00 0.00 46.19 44.07 3df9 s LEU 138 CO 0.77 -0.00 0.52 0.21 0.23 0.00 0.00 176.35 178.07 3df9 s ASN 139 N -3.65 6.75 0.05 2.29 2.47 -1.26 -4.82 114.94 116.78 3df9 s ASN 139 Ca 0.32 0.90 -0.11 0.00 0.42 0.00 0.00 52.86 54.39 3df9 s ASN 139 Cb -0.08 -2.31 0.01 0.00 -1.45 0.00 0.00 41.25 37.42 3df9 s ASN 139 CO 0.22 -0.01 0.23 0.00 -3.72 0.00 0.00 177.10 173.82 3df9 s ALA 140 N 0.60 -0.44 0.00 1.71 0.00 -1.26 -1.03 121.76 121.35 3df9 s ALA 140 Ca 0.28 -0.26 0.04 0.00 0.00 0.00 0.00 51.96 52.02 3df9 s ALA 140 Cb -0.16 0.35 -0.01 0.00 0.00 0.00 0.00 23.12 23.30 3df9 s ALA 140 CO 0.12 -0.41 -0.14 0.08 0.00 0.00 0.00 175.76 175.41 3df9 s VAL 141 N -2.86 1.07 -0.03 0.00 1.01 -0.61 -4.97 120.40 114.01 3df9 s VAL 141 Ca -0.03 -0.67 0.05 0.00 0.00 0.00 0.00 61.98 61.34 3df9 s VAL 141 Cb 0.00 -0.91 -0.03 0.00 0.00 0.00 0.00 36.38 35.45 3df9 s VAL 141 CO -0.05 0.23 -0.17 -0.60 0.00 0.00 0.00 175.10 174.51 3df9 s ARG 142 N -0.49 2.35 0.00 2.72 3.52 -1.26 -1.57 118.95 124.22 3df9 s ARG 142 Ca 0.04 -0.79 0.00 0.00 -0.13 0.00 0.00 55.73 54.85 3df9 s ARG 142 Cb -0.06 -2.29 0.00 0.00 -1.56 0.00 0.00 34.95 31.05 3df9 s ARG 142 CO -0.00 0.60 0.00 0.41 -0.81 0.00 0.00 175.30 175.50 3df9 n GLY 143 N 2.16 -0.50 3.70 8.12 0.00 -0.93 -4.92 105.19 112.82 3df9 n GLY 143 Ca -0.17 -1.07 -0.42 0.00 0.00 0.00 0.00 46.02 44.36 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 4.34 -0.17 0.99 2.96 -1.26 -1.42 118.68 124.12 3df9 s LEU 144 Ca 0.00 1.91 -0.04 0.00 -0.22 0.00 0.00 54.13 55.78 3df9 s LEU 144 Cb 0.00 -3.57 -0.02 0.00 0.50 0.00 0.00 46.19 43.10 3df9 s LEU 144 CO 0.00 -0.49 -0.03 -0.63 -1.32 0.00 0.00 176.35 173.88 3df9 s ILE 145 N 1.47 3.81 -0.00 6.68 1.01 -0.49 -0.15 121.20 133.52 3df9 s ILE 145 Ca 0.57 -0.38 0.02 0.00 0.00 0.00 0.00 60.65 60.86 3df9 s ILE 145 Cb -0.27 -2.68 -0.04 0.00 0.01 0.00 0.00 42.46 39.48 3df9 s ILE 145 CO 0.27 0.47 -0.01 0.68 0.00 0.00 0.00 174.94 176.35 3df9 s VAL 146 N 0.61 4.06 0.12 2.92 -7.23 -0.83 -2.39 120.40 117.66 3df9 s VAL 146 Ca -0.02 -0.64 0.09 0.00 -1.81 0.00 0.00 61.98 59.60 3df9 s VAL 146 Cb -0.14 -2.80 -0.04 0.00 0.56 0.00 0.00 36.38 33.96 3df9 s VAL 146 CO 0.02 0.38 -0.23 -0.44 -0.31 0.00 0.00 175.10 174.52 3df9 s SER 147 N -1.53 2.86 0.34 4.85 0.01 -0.62 -1.25 113.70 118.35 3df9 s SER 147 Ca 0.19 -0.73 -0.17 0.00 1.31 0.00 0.00 55.95 56.55 3df9 s SER 147 Cb -0.11 -0.17 0.04 0.00 0.21 0.00 0.00 66.02 65.98 3df9 s SER 147 CO 0.10 0.09 0.74 -0.83 0.41 0.00 0.00 173.24 173.75 3df9 s GLY 148 N -2.06 0.23 -0.19 3.44 0.00 -0.84 -0.60 107.32 107.30 3df9 s GLY 148 Ca 0.10 -0.61 0.05 0.00 0.00 0.00 0.00 44.72 44.27 3df9 s GLY 148 CO 0.05 -0.26 1.34 1.22 0.00 0.00 0.00 173.10 175.45 3df9 n ASP 149 N -0.99 3.48 -4.22 1.64 8.00 -1.26 -4.18 116.55 119.02 3df9 n ASP 149 Ca -0.06 -2.69 -0.27 0.00 0.71 0.00 0.00 54.79 52.49 3df9 n ASP 149 Cb 0.60 -0.64 -0.15 0.00 -0.02 0.00 0.00 41.12 40.90 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 -1.86 1.72 -0.15 2.24 0.00 -1.26 -5.05 121.76 117.39 3df9 s ALA 150 Ca 0.30 -0.92 -0.29 0.00 0.00 0.00 0.00 51.96 51.05 3df9 s ALA 150 Cb 0.24 -0.42 -0.01 0.00 0.00 0.00 0.00 23.12 22.94 3df9 s ALA 150 CO 0.07 0.41 1.07 0.12 0.00 0.00 0.00 175.76 177.44 3df9 s PHE 151 N -0.54 3.33 -0.05 0.00 2.19 -1.26 -4.90 117.98 116.75 3df9 s PHE 151 Ca 0.08 1.43 -0.22 0.00 0.33 0.00 0.00 56.93 58.55 3df9 s PHE 151 Cb -0.08 -3.29 -0.04 0.00 -1.31 0.00 0.00 43.02 38.30 3df9 s PHE 151 CO -0.00 -0.64 0.64 0.42 1.83 0.00 0.00 175.22 177.47 3df9 s ILE 152 N 2.68 5.00 -0.30 3.12 -1.09 -1.26 -4.97 121.20 124.38 3df9 s ILE 152 Ca 0.48 1.32 0.19 0.00 -2.23 0.00 0.00 60.65 60.42 3df9 s ILE 152 Cb -0.18 -3.98 0.47 0.00 -1.58 0.00 0.00 42.46 37.19 3df9 s ILE 152 CO 0.13 0.32 1.07 -3.20 -1.23 0.00 0.00 174.94 172.03 3df9 n ASN 153 N 3.37 1.14 0.00 3.58 4.05 -1.23 -4.39 115.26 121.78 3df9 n ASN 153 Ca -0.04 -2.40 0.00 0.00 0.45 0.00 0.00 54.58 52.59 3df9 n ASN 153 Cb 0.51 -0.35 0.00 0.00 1.23 0.00 0.00 39.78 41.17 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 -0.38 0.39 7.00 8.20 0.00 0.09 -3.72 105.19 116.76 3df9 n GLY 154 Ca 0.06 -0.84 0.00 0.00 0.00 0.00 0.00 46.02 45.24 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 -0.90 0.00 0.04 1.61 2.88 -1.26 -2.21 113.62 113.78 3df9 n SER 155 Ca 0.00 0.00 -0.02 0.00 -1.33 0.00 0.00 58.87 57.52 3df9 n SER 155 Cb 0.00 0.00 0.24 0.00 -0.75 0.00 0.00 64.21 63.70 3df9 n SER 155 CO 0.00 0.00 0.00 1.62 -1.23 0.00 0.00 175.04 175.43 3df9 h VAL 156 N 0.00 1.25 -0.51 2.46 3.04 -1.98 -2.67 116.25 117.84 3df9 h VAL 156 Ca 0.00 -1.16 0.10 0.00 -1.01 0.00 0.00 66.70 64.63 3df9 h VAL 156 Cb 0.00 1.32 -0.10 0.00 -2.01 0.00 0.00 31.29 30.49 3df9 h VAL 156 CO 0.00 0.37 -0.19 1.23 -1.01 0.00 0.00 177.57 177.96 3df9 h GLY 157 N 0.98 0.21 0.85 3.17 0.00 -1.92 0.13 103.07 106.48 3df9 h GLY 157 Ca 0.06 0.25 -0.15 0.00 0.00 0.00 0.00 47.33 47.49 3df9 h GLY 157 CO 0.04 -0.21 -0.58 -2.00 0.00 0.00 0.00 176.54 173.79 3df9 h LEU 158 N -0.08 0.59 -1.06 3.11 5.85 -1.34 -3.21 115.31 119.17 3df9 h LEU 158 Ca 0.24 -0.70 -0.04 0.00 0.84 0.00 0.00 57.88 58.21 3df9 h LEU 158 Cb 0.45 -0.18 -0.03 0.00 0.37 0.00 0.00 40.66 41.28 3df9 h LEU 158 CO -0.56 1.21 0.18 0.00 -0.34 0.00 0.00 178.44 178.92 3df9 h ALA 159 N 0.39 1.25 -0.21 1.25 0.00 -1.16 -1.20 119.26 119.59 3df9 h ALA 159 Ca -0.06 -0.18 -0.02 0.00 0.00 0.00 0.00 54.91 54.65 3df9 h ALA 159 Cb 1.25 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 18.80 3df9 h ALA 159 CO 0.12 0.54 0.05 -0.22 0.00 0.00 0.00 179.25 179.74 3df9 h LYS 160 N 0.83 0.33 -0.04 0.00 3.64 -0.86 -1.00 116.57 119.46 3df9 h LYS 160 Ca 0.19 -0.08 0.02 0.00 -1.27 0.00 0.00 60.65 59.51 3df9 h LYS 160 Cb 0.24 -0.04 -0.02 0.00 -0.41 0.00 0.00 32.23 31.99 3df9 h LYS 160 CO -0.01 0.44 -0.07 0.82 -2.27 0.00 0.00 179.45 178.36 3df9 h ILE 161 N 0.15 0.80 -0.47 2.00 2.04 -1.45 0.18 117.51 120.76 3df9 h ILE 161 Ca 0.07 0.00 -0.00 0.00 1.00 0.00 0.00 64.86 65.92 3df9 h ILE 161 Cb 0.26 0.80 -0.02 0.00 -0.74 0.00 0.00 36.82 37.12 3df9 h ILE 161 CO -0.00 0.00 0.27 0.03 0.00 0.00 0.00 178.15 178.45 3df9 h ARG 162 N -0.10 0.63 -0.14 2.37 3.08 -1.19 0.33 114.38 119.36 3df9 h ARG 162 Ca 0.04 -0.05 -0.08 0.00 0.07 0.00 0.00 59.98 59.96 3df9 h ARG 162 Cb 0.17 -0.14 -0.00 0.00 0.08 0.00 0.00 29.97 30.08 3df9 h ARG 162 CO -0.11 0.46 -0.23 1.25 -1.07 0.00 0.00 179.97 180.27 3df9 h HIS 163 N 0.65 0.51 0.00 3.04 2.76 -0.87 -2.98 115.15 118.27 3df9 h HIS 163 Ca 0.17 -0.18 -0.18 0.00 -2.20 0.00 0.00 60.37 57.98 3df9 h HIS 163 Cb -0.01 -0.10 -0.02 0.00 1.55 0.00 0.00 27.41 28.83 3df9 h HIS 163 CO 0.00 0.86 -0.87 -0.91 -1.30 0.00 0.00 177.93 175.71 3df9 h ASN 164 N 0.02 0.05 -2.39 3.26 2.35 -0.62 -3.38 115.58 114.87 3df9 h ASN 164 Ca 0.01 -0.04 -0.59 0.00 -0.55 0.00 0.00 56.30 55.13 3df9 h ASN 164 Cb 0.81 -0.02 -0.40 0.00 0.05 0.00 0.00 38.32 38.77 3df9 h ASN 164 CO 0.05 0.89 -0.87 0.49 -1.65 0.00 0.00 177.43 176.35 3df9 n PHE 165 N -3.55 0.83 0.27 1.19 3.72 0.11 -4.96 117.46 115.08 3df9 n PHE 165 Ca -0.01 -3.72 0.15 0.00 -0.05 0.00 0.00 57.45 53.82 3df9 n PHE 165 Cb 0.82 -0.22 0.78 0.00 -0.94 0.00 0.00 39.48 39.92 3df9 n PHE 165 CO 0.00 0.00 0.00 -1.35 -0.05 0.00 0.00 176.76 175.36 3df9 h PRO 166 N 4.91 0.00 0.00 -1.08 0.11 -1.71 -1.99 132.00 132.24 3df9 h PRO 166 Ca 0.18 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.29 3df9 h PRO 166 Cb 0.83 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.94 3df9 h PRO 166 CO 0.54 0.09 -0.39 0.00 -0.21 0.00 0.00 178.00 178.03 3df9 n GLN 167 N -3.43 0.01 -1.86 1.05 0.00 -1.26 -4.94 117.38 106.95 3df9 n GLN 167 Ca -0.01 0.00 -0.42 0.00 0.00 0.00 0.00 57.00 56.57 3df9 n GLN 167 Cb 0.24 -1.50 -0.02 0.00 0.00 0.00 0.00 30.24 28.95 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 -3.00 3.74 -0.25 2.61 0.00 -0.75 -4.25 121.76 119.86 3df9 s ALA 168 Ca 0.12 1.48 0.19 0.00 0.00 0.00 0.00 51.96 53.75 3df9 s ALA 168 Cb 0.18 -3.63 -0.28 0.00 0.00 0.00 0.00 23.12 19.40 3df9 s ALA 168 CO 0.66 -0.88 0.52 0.44 0.00 0.00 0.00 175.76 176.50 3df9 n ILE 169 N 2.69 0.00 -3.47 0.00 -5.35 0.78 -4.38 119.36 109.64 3df9 n ILE 169 Ca 0.09 -0.34 -0.12 0.00 -0.27 0.00 0.00 62.75 62.11 3df9 n ILE 169 Cb 0.38 0.31 -0.03 0.00 -1.74 0.00 0.00 39.64 38.56 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 -3.20 -1.50 -0.00 -1.28 0.00 -1.24 -1.37 121.76 113.17 3df9 s ALA 170 Ca -0.03 0.48 0.03 0.00 0.00 0.00 0.00 51.96 52.44 3df9 s ALA 170 Cb 0.13 0.76 -0.01 0.00 0.00 0.00 0.00 23.12 24.00 3df9 s ALA 170 CO 0.80 -0.70 -0.09 0.54 0.00 0.00 0.00 175.76 176.31 3df9 s VAL 171 N -3.47 0.67 0.00 0.00 0.11 0.01 -1.97 120.40 115.74 3df9 s VAL 171 Ca -0.00 -0.41 0.00 0.00 -2.93 0.00 0.00 61.98 58.64 3df9 s VAL 171 Cb -0.00 -0.57 0.00 0.00 -1.53 0.00 0.00 36.38 34.27 3df9 s VAL 171 CO -0.10 0.15 0.00 -1.84 -3.33 0.00 0.00 175.10 169.98 3df9 n GLU 172 N 2.77 0.00 0.00 1.54 -0.00 -0.38 -0.77 120.64 123.80 3df9 n GLU 172 Ca -0.14 0.00 0.00 0.00 -0.00 0.00 0.00 57.16 57.02 3df9 n GLU 172 Cb 0.57 0.00 0.00 0.00 -0.00 0.00 0.00 31.44 32.01 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 0.23 0.00 3.44 2.81 -1.26 -1.99 117.12 120.35 3df9 n MET 173 Ca 0.00 -0.46 0.00 0.00 -1.81 0.00 0.00 57.70 55.43 3df9 n MET 173 Cb 0.00 -0.68 0.00 0.00 -0.71 0.00 0.00 33.22 31.83 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 -0.07 1.62 -0.08 0.03 4.71 -1.26 -2.89 120.64 122.69 3df9 n GLU 174 Ca 0.00 0.00 -0.07 0.00 -0.01 0.00 0.00 57.16 57.08 3df9 n GLU 174 Cb 0.26 -0.62 0.00 0.00 -1.01 0.00 0.00 31.44 30.07 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 0.29 -0.57 0.62 0.00 -1.94 -1.42 119.26 116.23 3df9 h ALA 175 Ca 0.00 0.07 -0.07 0.00 0.00 0.00 0.00 54.91 54.91 3df9 h ALA 175 Cb 0.20 0.12 -0.02 0.00 0.00 0.00 0.00 17.79 18.08 3df9 h ALA 175 CO 0.00 -0.39 0.08 1.15 0.00 0.00 0.00 179.25 180.09 3df9 h THR 176 N 0.12 1.25 -0.52 0.00 2.02 -1.88 0.76 112.91 114.66 3df9 h THR 176 Ca 0.14 -0.97 0.02 0.00 0.77 0.00 0.00 66.41 66.37 3df9 h THR 176 Cb 0.18 0.73 -0.03 0.00 -1.74 0.00 0.00 68.15 67.28 3df9 h THR 176 CO -0.22 0.36 0.31 0.00 0.37 0.00 0.00 175.52 176.34 3df9 h ALA 177 N 1.20 0.66 -0.09 6.16 0.00 -1.74 0.90 119.26 126.35 3df9 h ALA 177 Ca 0.18 -0.01 -0.00 0.00 0.00 0.00 0.00 54.91 55.07 3df9 h ALA 177 Cb 0.41 -0.15 -0.00 0.00 0.00 0.00 0.00 17.79 18.05 3df9 h ALA 177 CO 0.01 0.01 0.04 0.82 0.00 0.00 0.00 179.25 180.13 3df9 h ILE 178 N 0.61 1.12 -0.69 0.00 2.04 -0.88 -1.63 117.51 118.08 3df9 h ILE 178 Ca 0.21 -0.36 0.10 0.00 1.00 0.00 0.00 64.86 65.80 3df9 h ILE 178 Cb 0.02 1.20 -0.07 0.00 -0.74 0.00 0.00 36.82 37.23 3df9 h ILE 178 CO -0.09 0.11 0.32 0.00 0.00 0.00 0.00 178.15 178.48 3df9 h ALA 179 N 0.90 0.94 0.12 1.87 0.00 -0.59 -0.36 119.26 122.13 3df9 h ALA 179 Ca 0.03 0.07 -0.01 0.00 0.00 0.00 0.00 54.91 55.00 3df9 h ALA 179 Cb 0.13 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.92 3df9 h ALA 179 CO -0.00 -0.10 -0.06 1.25 0.00 0.00 0.00 179.25 180.34 3df9 h HIS 180 N 0.54 -0.14 -0.15 0.00 6.17 -0.67 0.25 115.15 121.14 3df9 h HIS 180 Ca 0.34 -0.00 0.02 0.00 0.71 0.00 0.00 60.37 61.44 3df9 h HIS 180 Cb 0.40 0.05 -0.02 0.00 2.52 0.00 0.00 27.41 30.35 3df9 h HIS 180 CO -0.13 -0.04 0.01 0.28 0.71 0.00 0.00 177.93 178.76 3df9 h VAL 181 N -0.21 0.90 -0.96 5.26 2.07 -0.99 -2.07 116.25 120.26 3df9 h VAL 181 Ca -0.02 -0.02 0.07 0.00 0.82 0.00 0.00 66.70 67.55 3df9 h VAL 181 Cb 0.17 0.84 -0.06 0.00 -1.52 0.00 0.00 31.29 30.71 3df9 h VAL 181 CO 0.03 0.01 0.62 0.00 0.02 0.00 0.00 177.57 178.25 3df9 h HIS 183 N 1.09 0.30 0.00 0.00 6.17 -0.21 0.33 115.15 122.82 3df9 h HIS 183 Ca 0.42 0.01 -0.05 0.00 0.71 0.00 0.00 60.37 61.46 3df9 h HIS 183 Cb 0.22 -0.09 -0.01 0.00 2.52 0.00 0.00 27.41 30.05 3df9 h HIS 183 CO -0.00 0.17 -0.25 -0.91 0.71 0.00 0.00 177.93 177.64 3df9 h ASN 184 N 0.34 0.00 -0.36 3.26 -0.26 -0.90 -2.45 115.58 115.21 3df9 h ASN 184 Ca 0.13 0.00 0.00 0.00 -0.56 0.00 0.00 56.30 55.87 3df9 h ASN 184 Cb 0.04 0.00 0.00 0.00 -1.06 0.00 0.00 38.32 37.30 3df9 h ASN 184 CO -0.08 0.25 0.00 0.49 -1.06 0.00 0.00 177.43 177.03 3df9 n PHE 185 N -3.86 0.46 -3.64 1.19 3.01 -0.85 -4.98 117.46 108.78 3df9 n PHE 185 Ca -0.02 -0.24 -0.24 0.00 1.01 0.00 0.00 57.45 57.97 3df9 n PHE 185 Cb 0.34 -0.00 0.07 0.00 -0.01 0.00 0.00 39.48 39.88 3df9 n PHE 185 CO 0.00 0.00 0.00 -1.71 1.01 0.00 0.00 176.76 176.06 3df9 n ASN 186 N 1.45 -4.85 -4.44 4.37 5.15 -0.10 -5.00 115.26 111.85 3df9 n ASN 186 Ca 0.19 -0.63 -0.35 0.00 -0.60 0.00 0.00 54.58 53.19 3df9 n ASN 186 Cb 0.60 -4.74 -0.13 0.00 -0.53 0.00 0.00 39.78 34.98 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 -3.35 3.91 0.32 3.44 1.01 0.96 -5.02 120.40 121.67 3df9 s VAL 187 Ca 0.45 -0.33 -0.29 0.00 0.00 0.00 0.00 61.98 61.81 3df9 s VAL 187 Cb -0.21 -2.77 -0.11 0.00 0.00 0.00 0.00 36.38 33.30 3df9 s VAL 187 CO 0.76 0.43 1.49 -2.84 0.00 0.00 0.00 175.10 174.94 3df9 s PRO 188 N 0.99 4.17 0.12 2.72 0.02 -1.26 -4.45 135.00 137.32 3df9 s PRO 188 Ca 0.01 2.48 0.04 0.00 0.02 0.00 0.00 61.00 63.56 3df9 s PRO 188 Cb -0.14 -3.03 -0.04 0.00 0.02 0.00 0.00 34.50 31.31 3df9 s PRO 188 CO 0.02 -0.50 -0.10 -0.59 -0.33 0.00 0.00 177.00 175.49 3df9 s PHE 189 N -0.53 1.17 -0.02 6.54 -0.12 -1.26 -0.61 117.98 123.15 3df9 s PHE 189 Ca 0.57 -0.72 -0.09 0.00 -0.05 0.00 0.00 56.93 56.64 3df9 s PHE 189 Cb -0.45 -0.61 0.01 0.00 -0.63 0.00 0.00 43.02 41.33 3df9 s PHE 189 CO 0.53 0.04 0.19 0.54 -0.05 0.00 0.00 175.22 176.46 3df9 s VAL 190 N -2.94 0.06 -0.18 -2.49 0.11 -0.50 -1.09 120.40 113.37 3df9 s VAL 190 Ca 0.12 -0.49 -0.06 0.00 -2.93 0.00 0.00 61.98 58.61 3df9 s VAL 190 Cb 0.00 -0.44 -0.04 0.00 -1.53 0.00 0.00 36.38 34.38 3df9 s VAL 190 CO 0.00 -0.27 0.03 -0.69 -3.33 0.00 0.00 175.10 170.84 3df9 s VAL 191 N -1.04 4.46 -0.38 2.04 1.01 -1.26 -0.87 120.40 124.35 3df9 s VAL 191 Ca -0.11 -0.15 0.01 0.00 0.00 0.00 0.00 61.98 61.73 3df9 s VAL 191 Cb -0.06 -3.01 0.12 0.00 0.00 0.00 0.00 36.38 33.44 3df9 s VAL 191 CO 0.02 0.45 0.19 -0.69 0.00 0.00 0.00 175.10 175.07 3df9 s VAL 192 N 0.54 1.08 0.44 2.92 1.01 -0.16 -1.44 120.40 124.79 3df9 s VAL 192 Ca 0.01 -2.06 0.06 0.00 0.00 0.00 0.00 61.98 59.99 3df9 s VAL 192 Cb -0.13 -1.78 -0.05 0.00 0.00 0.00 0.00 36.38 34.42 3df9 s VAL 192 CO 0.02 -0.83 0.13 -0.13 0.00 0.00 0.00 175.10 174.28 3df9 s ARG 193 N 0.87 2.15 0.04 2.72 0.52 -0.53 -4.05 118.95 120.68 3df9 s ARG 193 Ca 0.15 -2.02 0.04 0.00 -0.52 0.00 0.00 55.73 53.38 3df9 s ARG 193 Cb -0.22 -1.83 -0.02 0.00 0.52 0.00 0.00 34.95 33.40 3df9 s ARG 193 CO -0.08 -0.18 -0.12 0.00 0.02 0.00 0.00 175.30 174.94 3df9 s ALA 194 N -2.69 0.98 0.02 2.13 0.00 -0.66 -0.42 121.76 121.14 3df9 s ALA 194 Ca 0.34 -0.81 -0.30 0.00 0.00 0.00 0.00 51.96 51.18 3df9 s ALA 194 Cb 0.05 -0.11 -0.05 0.00 0.00 0.00 0.00 23.12 23.02 3df9 s ALA 194 CO 0.18 0.15 1.15 0.42 0.00 0.00 0.00 175.76 177.65 3df9 s ILE 195 N -1.01 4.27 -0.19 0.00 -1.09 -0.35 -2.13 121.20 120.71 3df9 s ILE 195 Ca -0.02 1.62 0.08 0.00 -2.23 0.00 0.00 60.65 60.11 3df9 s ILE 195 Cb -0.08 -4.04 -0.11 0.00 -1.58 0.00 0.00 42.46 36.64 3df9 s ILE 195 CO 0.01 0.10 0.26 -1.54 -1.23 0.00 0.00 174.94 172.54 3df9 n SER 196 N 4.16 1.82 -3.66 3.58 3.41 -0.75 0.01 113.62 122.20 3df9 n SER 196 Ca 0.09 -0.32 -0.00 0.00 -0.26 0.00 0.00 58.87 58.37 3df9 n SER 196 Cb 0.47 1.21 -0.01 0.00 -0.26 0.00 0.00 64.21 65.62 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 -2.41 -0.10 -0.24 4.04 1.47 -1.25 -3.33 116.67 114.84 3df9 s ASP 197 Ca -0.00 -0.21 0.13 0.00 1.18 0.00 0.00 52.55 53.65 3df9 s ASP 197 Cb 0.06 0.26 0.55 0.00 -0.34 0.00 0.00 42.92 43.45 3df9 s ASP 197 CO 0.34 -0.48 1.50 1.33 0.68 0.00 0.00 175.17 178.54 3df9 n VAL 198 N -0.47 2.49 -1.82 2.11 0.24 -1.26 0.89 118.33 120.51 3df9 n VAL 198 Ca -0.08 -2.16 -0.19 0.00 -2.04 0.00 0.00 64.34 59.87 3df9 n VAL 198 Cb 0.62 -0.30 -0.06 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 -0.72 -0.38 -3.06 2.33 0.00 -1.26 -4.64 120.51 112.78 3df9 n ALA 199 Ca 0.29 0.25 0.00 0.00 0.00 0.00 0.00 53.44 53.99 3df9 n ALA 199 Cb 1.03 -1.95 0.00 0.00 0.00 0.00 0.00 19.45 18.53 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 -1.23 0.63 -0.20 0.00 3.85 -1.26 -0.74 116.55 117.60 3df9 n ASP 200 Ca -0.20 -0.74 0.24 0.00 -0.71 0.00 0.00 54.79 53.38 3df9 n ASP 200 Cb 0.64 0.00 0.64 0.00 -1.35 0.00 0.00 41.12 41.04 3df9 n ASP 200 CO 0.00 0.00 0.00 0.06 -1.01 0.00 0.00 177.20 176.25 3df9 h GLN 201 N 0.00 0.16 -0.02 0.11 3.07 -1.91 0.74 115.11 117.26 3df9 h GLN 201 Ca 0.00 -0.01 0.00 0.00 0.09 0.00 0.00 58.65 58.73 3df9 h GLN 201 Cb 0.00 -0.04 0.00 0.00 0.08 0.00 0.00 27.48 27.52 3df9 h GLN 201 CO 0.00 0.11 0.00 0.94 0.09 0.00 0.00 178.83 179.97 3df9 n GLN 202 N -4.38 1.59 -0.32 0.06 -0.06 -1.26 -4.53 117.38 108.48 3df9 n GLN 202 Ca 0.18 -0.85 0.10 0.00 -2.00 0.00 0.00 57.00 54.43 3df9 n GLN 202 Cb 0.84 -1.48 0.31 0.00 -4.06 0.00 0.00 30.24 25.85 3df9 n GLN 202 CO 0.00 0.00 0.00 0.66 -0.20 0.00 0.00 177.06 177.52 3df9 h SER 203 N 2.06 0.79 -0.43 1.69 4.64 -1.15 -0.11 113.55 121.04 3df9 h SER 203 Ca 0.00 0.05 -0.08 0.00 -0.47 0.00 0.00 61.79 61.29 3df9 h SER 203 Cb 0.44 -0.10 -0.01 0.00 -0.31 0.00 0.00 62.40 62.41 3df9 h SER 203 CO 0.00 0.39 -0.06 -0.74 -0.87 0.00 0.00 176.83 175.55 3df9 h HIS 204 N 0.83 0.88 -0.15 4.77 -0.00 -1.81 0.15 115.15 119.81 3df9 h HIS 204 Ca 0.49 -0.18 -0.05 0.00 -0.00 0.00 0.00 60.37 60.63 3df9 h HIS 204 Cb 0.66 -0.22 -0.00 0.00 -0.00 0.00 0.00 27.41 27.84 3df9 h HIS 204 CO -0.00 0.89 -0.11 -0.07 -0.00 0.00 0.00 177.93 178.63 3df9 h LEU 205 N 0.62 0.37 -0.71 0.26 3.38 -1.77 -2.51 115.31 114.95 3df9 h LEU 205 Ca 0.11 -0.45 0.01 0.00 0.09 0.00 0.00 57.88 57.64 3df9 h LEU 205 Cb 0.58 -0.10 -0.04 0.00 0.09 0.00 0.00 40.66 41.19 3df9 h LEU 205 CO 0.03 0.74 0.47 -1.28 0.09 0.00 0.00 178.44 178.49 3df9 h SER 206 N -0.00 0.82 0.19 -0.43 0.87 -1.00 -1.75 113.55 112.25 3df9 h SER 206 Ca 0.03 -0.03 -0.00 0.00 -1.23 0.00 0.00 61.79 60.56 3df9 h SER 206 Cb 0.62 -0.21 -0.01 0.00 -0.44 0.00 0.00 62.40 62.37 3df9 h SER 206 CO 0.03 0.60 -0.14 0.15 -0.53 0.00 0.00 176.83 176.94 3df9 h PHE 207 N 0.97 -0.36 -0.98 2.24 3.04 -0.70 0.16 116.94 121.31 3df9 h PHE 207 Ca 0.26 -0.00 0.09 0.00 3.98 0.00 0.00 57.97 62.30 3df9 h PHE 207 Cb -0.10 0.13 -0.07 0.00 2.56 0.00 0.00 35.95 38.47 3df9 h PHE 207 CO -0.02 -0.21 0.63 -0.44 -2.02 0.00 0.00 178.31 176.24 3df9 h ASP 208 N -0.33 0.94 -0.02 0.41 3.45 -1.30 -1.14 116.42 118.43 3df9 h ASP 208 Ca -0.01 0.03 -0.25 0.00 0.43 0.00 0.00 57.03 57.23 3df9 h ASP 208 Cb 0.29 -0.17 0.02 0.00 -0.56 0.00 0.00 39.33 38.91 3df9 h ASP 208 CO -0.00 0.55 -0.95 -0.08 -1.57 0.00 0.00 179.24 177.18 3df9 h GLU 209 N 1.04 0.71 -0.09 3.56 4.81 -0.98 -3.38 114.58 120.24 3df9 h GLU 209 Ca 0.45 -0.70 -0.00 0.00 -0.13 0.00 0.00 59.36 58.98 3df9 h GLU 209 Cb 0.35 0.18 -0.00 0.00 0.63 0.00 0.00 28.75 29.91 3df9 h GLU 209 CO -0.21 1.29 -0.00 1.19 -0.73 0.00 0.00 179.01 180.55 3df9 n PHE 210 N -3.87 0.32 -0.08 0.92 3.72 0.52 -4.59 117.46 114.40 3df9 n PHE 210 Ca -0.10 -0.97 -0.07 0.00 -0.05 0.00 0.00 57.45 56.27 3df9 n PHE 210 Cb 0.84 -0.21 0.10 0.00 -0.94 0.00 0.00 39.48 39.27 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 0.62 0.76 -0.50 4.37 5.85 -1.40 -2.17 115.31 122.85 3df9 h LEU 211 Ca 0.00 -0.27 -0.07 0.00 0.84 0.00 0.00 57.88 58.38 3df9 h LEU 211 Cb 1.15 -0.21 -0.02 0.00 0.37 0.00 0.00 40.66 41.96 3df9 h LEU 211 CO 0.08 0.96 0.03 0.00 -0.34 0.00 0.00 178.44 179.16 3df9 h ALA 212 N 1.10 0.67 -0.70 1.25 0.00 -1.85 0.13 119.26 119.85 3df9 h ALA 212 Ca 0.10 -0.27 -0.05 0.00 0.00 0.00 0.00 54.91 54.69 3df9 h ALA 212 Cb 0.71 -0.19 -0.03 0.00 0.00 0.00 0.00 17.79 18.28 3df9 h ALA 212 CO 0.05 0.45 0.24 0.28 0.00 0.00 0.00 179.25 180.28 3df9 h VAL 213 N 0.73 1.25 -0.06 0.00 2.07 -1.86 -1.05 116.25 117.33 3df9 h VAL 213 Ca 0.15 -0.85 -0.00 0.00 0.82 0.00 0.00 66.70 66.81 3df9 h VAL 213 Cb 0.48 0.48 -0.00 0.00 -1.52 0.00 0.00 31.29 30.72 3df9 h VAL 213 CO 0.02 0.33 0.02 0.00 0.02 0.00 0.00 177.57 177.97 3df9 h ALA 214 N 1.11 0.08 -0.88 1.67 0.00 -0.93 -1.45 119.26 118.86 3df9 h ALA 214 Ca 0.23 -0.09 0.00 0.00 0.00 0.00 0.00 54.91 55.05 3df9 h ALA 214 Cb 0.27 -0.02 -0.04 0.00 0.00 0.00 0.00 17.79 17.99 3df9 h ALA 214 CO -0.01 -0.34 0.56 0.00 0.00 0.00 0.00 179.25 179.46 3df9 h ALA 215 N 0.86 1.32 0.38 0.00 0.00 -0.68 -0.99 119.26 120.15 3df9 h ALA 215 Ca 0.02 -0.08 -0.02 0.00 0.00 0.00 0.00 54.91 54.83 3df9 h ALA 215 Cb 0.17 -0.36 0.00 0.00 0.00 0.00 0.00 17.79 17.60 3df9 h ALA 215 CO -0.00 0.60 -0.18 -0.22 0.00 0.00 0.00 179.25 179.45 3df9 h LYS 216 N 1.21 -0.49 -0.79 0.00 3.64 -1.05 -1.57 116.57 117.52 3df9 h LYS 216 Ca 0.32 0.03 -0.04 0.00 -1.27 0.00 0.00 60.65 59.69 3df9 h LYS 216 Cb -0.09 0.11 -0.04 0.00 -0.41 0.00 0.00 32.23 31.80 3df9 h LYS 216 CO -0.06 -0.20 0.32 1.96 -2.27 0.00 0.00 179.45 179.20 3df9 h GLN 217 N -0.77 1.18 0.13 1.90 1.08 -1.17 -0.35 115.11 117.12 3df9 h GLN 217 Ca -0.05 -0.21 -0.01 0.00 -1.45 0.00 0.00 58.65 56.93 3df9 h GLN 217 Cb 0.52 -0.19 0.00 0.00 -0.05 0.00 0.00 27.48 27.76 3df9 h GLN 217 CO 0.09 0.95 -0.06 0.66 -0.95 0.00 0.00 178.83 179.51 3df9 h SER 218 N 1.15 -0.15 -0.66 1.46 4.64 -1.25 -2.57 113.55 116.16 3df9 h SER 218 Ca 0.26 -0.13 -0.02 0.00 -0.47 0.00 0.00 61.79 61.44 3df9 h SER 218 Cb 0.21 0.04 -0.03 0.00 -0.31 0.00 0.00 62.40 62.31 3df9 h SER 218 CO -0.02 0.38 0.35 0.28 -0.87 0.00 0.00 176.83 176.94 3df9 h SER 219 N -1.02 0.83 -0.47 4.97 0.02 -0.97 -0.98 113.55 115.93 3df9 h SER 219 Ca -0.02 -0.11 0.06 0.00 -0.84 0.00 0.00 61.79 60.88 3df9 h SER 219 Cb 0.27 -0.21 -0.05 0.00 0.14 0.00 0.00 62.40 62.54 3df9 h SER 219 CO 0.03 0.70 0.18 0.25 -1.14 0.00 0.00 176.83 176.85 3df9 h LEU 220 N 0.90 0.20 -0.49 5.07 5.85 -1.08 -1.03 115.31 124.73 3df9 h LEU 220 Ca 0.23 0.05 -0.01 0.00 0.84 0.00 0.00 57.88 59.00 3df9 h LEU 220 Cb 0.06 0.03 -0.02 0.00 0.37 0.00 0.00 40.66 41.10 3df9 h LEU 220 CO -0.03 0.14 0.28 0.24 -0.34 0.00 0.00 178.44 178.73 3df9 h MET 221 N 0.36 0.67 -0.51 1.25 2.86 -1.03 -2.04 114.93 116.48 3df9 h MET 221 Ca 0.22 -0.07 -0.05 0.00 -2.06 0.00 0.00 59.70 57.74 3df9 h MET 221 Cb 0.21 -0.14 -0.02 0.00 0.06 0.00 0.00 31.60 31.72 3df9 h MET 221 CO -0.22 0.50 0.11 0.28 1.06 0.00 0.00 176.91 178.64 3df9 h VAL 222 N 0.65 1.25 -0.42 -2.22 2.07 -1.02 0.80 116.25 117.36 3df9 h VAL 222 Ca 0.17 -0.89 0.07 0.00 0.82 0.00 0.00 66.70 66.87 3df9 h VAL 222 Cb 0.02 0.84 -0.06 0.00 -1.52 0.00 0.00 31.29 30.57 3df9 h VAL 222 CO -0.03 0.32 0.08 -0.33 0.02 0.00 0.00 177.57 177.63 3df9 h GLU 223 N 0.72 0.21 -0.50 1.57 5.08 -1.05 0.47 114.58 121.07 3df9 h GLU 223 Ca 0.16 -0.01 -0.12 0.00 -1.00 0.00 0.00 59.36 58.38 3df9 h GLU 223 Cb 0.36 -0.05 -0.02 0.00 0.50 0.00 0.00 28.75 29.55 3df9 h GLU 223 CO 0.01 0.14 -0.16 0.77 -1.00 0.00 0.00 179.01 178.76 3df9 h SER 224 N 0.21 1.00 -0.28 1.42 0.02 -1.18 -2.83 113.55 111.91 3df9 h SER 224 Ca 0.21 -0.35 -0.02 0.00 -0.84 0.00 0.00 61.79 60.79 3df9 h SER 224 Cb 0.25 -0.27 -0.01 0.00 0.14 0.00 0.00 62.40 62.51 3df9 h SER 224 CO -0.27 1.14 0.11 0.25 -1.14 0.00 0.00 176.83 176.92 3df9 h LEU 225 N 0.87 0.38 -0.31 5.07 5.85 -0.45 -0.09 115.31 126.63 3df9 h LEU 225 Ca 0.12 -0.16 0.02 0.00 0.84 0.00 0.00 57.88 58.70 3df9 h LEU 225 Cb 0.73 -0.10 -0.02 0.00 0.37 0.00 0.00 40.66 41.63 3df9 h LEU 225 CO 0.06 0.44 0.17 0.58 -0.34 0.00 0.00 178.44 179.35 3df9 h VAL 226 N 0.30 1.01 -0.39 1.05 2.07 -0.92 -0.30 116.25 119.08 3df9 h VAL 226 Ca 0.09 -0.12 0.03 0.00 0.82 0.00 0.00 66.70 67.52 3df9 h VAL 226 Cb 0.18 0.63 -0.03 0.00 -1.52 0.00 0.00 31.29 30.54 3df9 h VAL 226 CO -0.01 0.06 0.20 -0.61 0.02 0.00 0.00 177.57 177.23 3df9 h GLN 227 N 0.35 0.39 -0.64 1.57 5.75 -1.35 -1.36 115.11 119.82 3df9 h GLN 227 Ca 0.13 -0.02 -0.02 0.00 -0.15 0.00 0.00 58.65 58.58 3df9 h GLN 227 Cb 0.02 -0.09 -0.03 0.00 1.07 0.00 0.00 27.48 28.45 3df9 h GLN 227 CO -0.07 0.26 0.32 -0.22 -2.65 0.00 0.00 178.83 176.46 3df9 h LYS 228 N 0.40 0.91 -0.21 1.69 3.64 -0.63 -1.40 116.57 120.97 3df9 h LYS 228 Ca 0.17 -0.13 -0.08 0.00 -1.27 0.00 0.00 60.65 59.34 3df9 h LYS 228 Cb 0.07 -0.17 -0.01 0.00 -0.41 0.00 0.00 32.23 31.71 3df9 h LYS 228 CO -0.12 0.72 -0.21 -0.07 -2.27 0.00 0.00 179.45 177.49 3df9 h LEU 229 N 0.87 0.37 0.19 5.20 3.38 -0.81 -0.15 115.31 124.36 3df9 h LEU 229 Ca 0.22 -0.11 -0.31 0.00 0.09 0.00 0.00 57.88 57.77 3df9 h LEU 229 Cb 0.10 -0.10 0.02 0.00 0.09 0.00 0.00 40.66 40.77 3df9 h LEU 229 CO -0.03 0.60 -1.43 0.00 0.09 0.00 0.00 178.44 177.67 3df9 h ALA 230 N 1.44 0.00 0.00 1.53 0.00 -1.06 -3.40 119.26 117.77 3df9 h ALA 230 Ca 0.06 -0.92 0.00 0.00 0.00 0.00 0.00 54.91 54.05 3df9 h ALA 230 Cb 0.57 0.15 0.00 0.00 0.00 0.00 0.00 17.79 18.51 3df9 h ALA 230 CO 0.04 0.87 -0.05 0.72 0.00 0.00 0.00 179.25 180.83 3df9 n HIS 231 N -3.61 0.00 -0.88 0.00 8.25 -0.54 -4.78 115.22 113.66 3df9 n HIS 231 Ca -0.14 -0.32 0.00 0.00 -0.26 0.00 0.00 57.72 57.00 3df9 n HIS 231 Cb 1.07 -0.04 0.00 0.00 1.12 0.00 0.00 29.99 32.14 3df9 n HIS 231 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39