#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3br9 s MET 2 N 0.00 4.34 0.33 4.33 1.00 -1.26 -1.41 119.30 126.62 3br9 s MET 2 Ca 0.00 2.04 0.00 0.00 0.00 0.00 0.00 55.69 57.73 3br9 s MET 2 Cb 0.00 -3.25 0.55 0.00 0.00 0.00 0.00 34.83 32.12 3br9 s MET 2 CO 0.00 -0.40 1.99 0.66 0.00 0.00 0.00 175.02 177.27 3br9 h SER 3 N 6.67 0.84 -4.98 3.03 4.64 -1.16 -3.40 113.55 119.19 3br9 h SER 3 Ca -0.42 -0.02 -0.18 0.00 -0.47 0.00 0.00 61.79 60.70 3br9 h SER 3 Cb 1.21 -0.21 -0.20 0.00 -0.31 0.00 0.00 62.40 62.89 3br9 h SER 3 CO 0.85 0.60 -0.70 -0.31 -0.87 0.00 0.00 176.83 176.40 3br9 s TYR 4 N -5.83 0.34 -0.08 4.77 2.02 -1.26 -0.47 117.35 116.85 3br9 s TYR 4 Ca -0.11 -0.59 0.03 0.00 -0.37 0.00 0.00 57.07 56.04 3br9 s TYR 4 Cb 0.18 -0.24 0.00 0.00 -0.40 0.00 0.00 41.96 41.51 3br9 s TYR 4 CO 0.78 -0.20 -0.19 0.99 -1.57 0.00 0.00 175.55 175.36 3br9 s THR 5 N -1.73 1.63 0.02 -0.71 2.01 0.04 -4.83 115.64 112.06 3br9 s THR 5 Ca -0.13 -0.78 0.05 0.00 0.31 0.00 0.00 61.69 61.14 3br9 s THR 5 Cb -0.08 -1.43 -0.03 0.00 0.01 0.00 0.00 72.50 70.97 3br9 s THR 5 CO -0.02 0.46 -0.12 0.26 -0.69 0.00 0.00 174.62 174.52 3br9 s TRP 6 N 0.41 2.74 -0.11 4.92 0.52 -1.26 0.74 118.94 126.89 3br9 s TRP 6 Ca -0.15 -0.14 0.16 0.00 0.02 0.00 0.00 56.10 55.99 3br9 s TRP 6 Cb -0.16 -1.55 -0.11 0.00 -1.15 0.00 0.00 33.47 30.50 3br9 s TRP 6 CO 0.06 0.31 0.94 1.79 0.02 0.00 0.00 176.95 180.07 3br9 h THR 7 N 3.86 0.64 0.00 2.01 1.35 -0.91 -3.46 112.91 116.41 3br9 h THR 7 Ca -0.48 -2.15 0.00 0.00 -0.55 0.00 0.00 66.41 63.23 3br9 h THR 7 Cb 1.16 2.17 0.00 0.00 -1.73 0.00 0.00 68.15 69.75 3br9 h THR 7 CO 0.51 0.37 0.00 0.61 -0.25 0.00 0.00 175.52 176.76 3br9 n GLY 8 N 1.37 2.42 3.77 5.82 0.00 -1.26 -5.04 105.19 112.26 3br9 n GLY 8 Ca -0.08 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.53 3br9 n GLY 8 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3br9 s ALA 9 N -2.18 3.62 0.54 4.61 0.00 -1.26 -4.97 121.76 122.12 3br9 s ALA 9 Ca 0.00 1.53 -0.17 0.00 0.00 0.00 0.00 51.96 53.32 3br9 s ALA 9 Cb 0.00 -3.61 -0.06 0.00 0.00 0.00 0.00 23.12 19.45 3br9 s ALA 9 CO 0.00 -0.97 1.03 -0.51 0.00 0.00 0.00 175.76 175.31 3br9 s LEU 10 N -1.46 3.62 -0.26 0.00 1.43 -1.26 -4.77 118.68 115.99 3br9 s LEU 10 Ca 0.56 1.77 -0.29 0.00 -1.03 0.00 0.00 54.13 55.14 3br9 s LEU 10 Cb -0.46 -4.53 0.01 0.00 0.03 0.00 0.00 46.19 41.24 3br9 s LEU 10 CO 0.56 -0.90 1.06 -0.63 0.23 0.00 0.00 176.35 176.67 3br9 s ILE 11 N -2.38 4.59 0.05 -0.59 1.01 -1.26 -4.77 121.20 117.85 3br9 s ILE 11 Ca 0.63 1.89 0.04 0.00 0.00 0.00 0.00 60.65 63.21 3br9 s ILE 11 Cb -0.14 -4.34 -0.04 0.00 0.01 0.00 0.00 42.46 37.95 3br9 s ILE 11 CO 0.31 -0.30 -0.03 0.42 0.00 0.00 0.00 174.94 175.33 3br9 s THR 12 N 3.41 3.85 0.83 2.92 -4.23 -1.26 -4.78 115.64 116.37 3br9 s THR 12 Ca 0.45 -0.88 -0.12 0.00 -1.18 0.00 0.00 61.69 59.96 3br9 s THR 12 Cb -0.14 -2.76 0.09 0.00 1.34 0.00 0.00 72.50 71.03 3br9 s THR 12 CO 0.10 0.25 1.13 -2.16 -0.54 0.00 0.00 174.62 173.41 3br9 s PRO 13 N -1.87 1.82 0.00 3.99 0.04 -1.26 -4.32 135.00 133.40 3br9 s PRO 13 Ca 0.21 0.37 0.00 0.00 0.04 0.00 0.00 61.00 61.62 3br9 s PRO 13 Cb -0.11 -1.91 0.00 0.00 0.04 0.00 0.00 34.50 32.52 3br9 s PRO 13 CO 0.13 -1.74 0.00 0.00 0.04 0.00 0.00 177.00 175.42 3br9 s ALA 15 N -3.81 2.74 0.72 0.00 0.00 -1.26 -5.02 121.76 115.13 3br9 s ALA 15 Ca 0.00 0.40 -0.16 0.00 0.00 0.00 0.00 51.96 52.20 3br9 s ALA 15 Cb 0.00 -3.23 0.03 0.00 0.00 0.00 0.00 23.12 19.91 3br9 s ALA 15 CO 0.00 -0.81 1.22 0.00 0.00 0.00 0.00 175.76 176.17 3br9 n ALA 16 N -2.01 0.54 -2.40 0.00 0.00 -1.26 -5.01 120.51 110.37 3br9 n ALA 16 Ca 0.09 -0.15 -0.28 0.00 0.00 0.00 0.00 53.44 53.10 3br9 n ALA 16 Cb 0.53 -2.27 -0.16 0.00 0.00 0.00 0.00 19.45 17.55 3br9 n ALA 16 CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 177.50 176.29 3br9 s GLU 17 N -3.64 1.78 -0.20 0.00 2.02 -1.26 -5.11 118.70 112.28 3br9 s GLU 17 Ca 0.78 -0.81 -0.09 0.00 0.02 0.00 0.00 54.97 54.88 3br9 s GLU 17 Cb -0.34 -1.73 -0.04 0.00 0.10 0.00 0.00 34.13 32.11 3br9 s GLU 17 CO 0.45 0.47 0.10 -1.21 0.02 0.00 0.00 175.26 175.10 3br9 s GLU 18 N -0.57 4.03 -0.07 1.61 2.02 -1.26 -4.95 118.70 119.52 3br9 s GLU 18 Ca 0.09 -0.31 0.19 0.00 0.02 0.00 0.00 54.97 54.96 3br9 s GLU 18 Cb -0.09 -3.34 -0.29 0.00 0.10 0.00 0.00 34.13 30.52 3br9 s GLU 18 CO -0.01 0.21 0.34 -1.13 0.02 0.00 0.00 175.26 174.70 3br9 n SER 19 N 3.75 0.42 -4.79 -0.19 3.41 -1.26 -4.45 113.62 110.53 3br9 n SER 19 Ca -0.16 0.00 -0.38 0.00 -0.26 0.00 0.00 58.87 58.07 3br9 n SER 19 Cb 0.52 1.67 -0.06 0.00 -0.26 0.00 0.00 64.21 66.08 3br9 n SER 19 CO 0.00 0.00 0.00 -0.54 -0.16 0.00 0.00 175.04 174.34 3br9 s LYS 20 N -3.15 4.12 -0.25 4.33 -0.14 -1.26 -0.57 119.74 122.81 3br9 s LYS 20 Ca -0.08 0.44 -0.38 0.00 -1.36 0.00 0.00 55.97 54.59 3br9 s LYS 20 Cb 0.11 -3.31 -0.14 0.00 -1.68 0.00 0.00 37.83 32.80 3br9 s LYS 20 CO 0.81 0.46 1.85 -0.11 -0.76 0.00 0.00 175.35 177.61 3br9 n LEU 21 N 2.59 2.57 -4.75 3.17 7.94 -1.23 -4.89 117.00 122.39 3br9 n LEU 21 Ca -0.11 0.95 -0.41 0.00 -1.11 0.00 0.00 56.01 55.33 3br9 n LEU 21 Cb 0.52 -1.21 -0.02 0.00 0.53 0.00 0.00 43.42 43.24 3br9 n LEU 21 CO 0.40 -0.39 1.11 -2.84 -1.11 0.00 0.00 177.39 174.56 3br9 s PRO 22 N 4.13 4.25 -0.17 1.96 0.02 -1.26 -5.03 135.00 138.91 3br9 s PRO 22 Ca 0.99 2.34 -0.03 0.00 0.02 0.00 0.00 61.00 64.32 3br9 s PRO 22 Cb -0.96 -3.09 -0.02 0.00 0.02 0.00 0.00 34.50 30.45 3br9 s PRO 22 CO 0.60 -0.42 -0.07 0.42 -0.33 0.00 0.00 177.00 177.20 3br9 s ILE 23 N -0.20 3.47 0.00 2.83 -1.09 -1.26 -4.63 121.20 120.32 3br9 s ILE 23 Ca 0.58 -0.50 0.00 0.00 -2.23 0.00 0.00 60.65 58.51 3br9 s ILE 23 Cb -0.42 -2.52 0.00 0.00 -1.58 0.00 0.00 42.46 37.94 3br9 s ILE 23 CO 0.46 0.48 0.00 -0.46 -1.23 0.00 0.00 174.94 174.19 3br9 n ASN 24 N 3.92 1.88 0.19 3.58 0.23 -1.26 -5.00 115.26 118.80 3br9 n ASN 24 Ca -0.18 -0.69 0.14 0.00 -0.53 0.00 0.00 54.58 53.32 3br9 n ASN 24 Cb 0.52 0.00 0.60 0.00 -2.08 0.00 0.00 39.78 38.82 3br9 n ASN 24 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 3br9 h ALA 25 N 1.00 1.00 0.00 -2.53 0.00 -1.99 -2.86 119.26 113.88 3br9 h ALA 25 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 3br9 h ALA 25 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.79 3br9 h ALA 25 CO 0.00 0.00 -1.42 1.28 0.00 0.00 0.00 179.25 179.11 3br9 n LEU 26 N -2.54 0.45 -0.12 0.00 4.77 -1.26 -4.56 117.00 113.74 3br9 n LEU 26 Ca 0.01 0.08 -0.05 0.00 -0.03 0.00 0.00 56.01 56.02 3br9 n LEU 26 Cb 0.22 -0.04 0.02 0.00 -2.33 0.00 0.00 43.42 41.29 3br9 n LEU 26 CO 0.21 -0.04 0.76 0.28 -1.33 0.00 0.00 177.39 177.27 3br9 h SER 27 N 0.00 -0.48 0.36 -1.43 0.02 -1.83 -1.94 113.55 108.25 3br9 h SER 27 Ca 0.00 0.13 -0.01 0.00 -0.84 0.00 0.00 61.79 61.08 3br9 h SER 27 Cb 0.92 0.29 -0.00 0.00 0.14 0.00 0.00 62.40 63.75 3br9 h SER 27 CO 0.00 -0.17 -0.04 0.78 -1.14 0.00 0.00 176.83 176.26 3br9 h ASN 28 N -0.05 0.00 1.37 3.07 2.35 -1.79 -0.31 115.58 120.22 3br9 h ASN 28 Ca 0.20 0.00 -0.05 0.00 -0.55 0.00 0.00 56.30 55.90 3br9 h ASN 28 Cb 0.35 0.00 -0.01 0.00 0.05 0.00 0.00 38.32 38.71 3br9 h ASN 28 CO -0.44 0.04 -0.25 0.77 -1.65 0.00 0.00 177.43 175.90 3br9 h SER 29 N 0.00 0.00 0.04 5.81 4.64 -1.65 -3.24 113.55 119.15 3br9 h SER 29 Ca -0.00 0.00 -0.27 0.00 -0.47 0.00 0.00 61.79 61.05 3br9 h SER 29 Cb 0.23 0.00 -0.03 0.00 -0.31 0.00 0.00 62.40 62.30 3br9 h SER 29 CO 0.01 0.25 -1.47 0.25 -0.87 0.00 0.00 176.83 175.00 3br9 h LEU 30 N 0.00 0.14 -7.32 5.97 5.85 -1.14 -3.42 115.31 115.38 3br9 h LEU 30 Ca -0.00 -0.65 -0.14 0.00 0.84 0.00 0.00 57.88 57.92 3br9 h LEU 30 Cb 1.00 -0.04 -0.26 0.00 0.37 0.00 0.00 40.66 41.72 3br9 h LEU 30 CO 0.03 1.60 -0.34 -0.22 -0.34 0.00 0.00 178.44 179.17 3br9 s LEU 31 N -7.63 0.36 -0.10 2.25 0.20 -0.35 -4.12 118.68 109.30 3br9 s LEU 31 Ca -0.27 0.73 0.15 0.00 0.69 0.00 0.00 54.13 55.43 3br9 s LEU 31 Cb 0.06 1.15 -0.21 0.00 -0.43 0.00 0.00 46.19 46.76 3br9 s LEU 31 CO 0.65 -0.15 0.18 0.54 -0.29 0.00 0.00 176.35 177.28 3br9 n ARG 32 N 3.63 1.10 -2.23 1.98 5.12 -0.51 -3.91 116.66 121.83 3br9 n ARG 32 Ca -0.19 -0.07 -0.42 0.00 -1.93 0.00 0.00 57.85 55.25 3br9 n ARG 32 Cb 0.56 -1.39 0.00 0.00 -1.16 0.00 0.00 32.46 30.47 3br9 n ARG 32 CO 0.00 0.00 0.00 0.72 -1.93 0.00 0.00 177.63 176.42 3br9 n HIS 33 N -2.36 2.81 -0.04 -1.55 8.25 -0.15 -4.74 115.22 117.43 3br9 n HIS 33 Ca -0.16 -2.79 0.13 0.00 -0.26 0.00 0.00 57.72 54.64 3br9 n HIS 33 Cb 0.76 -1.91 0.54 0.00 1.12 0.00 0.00 29.99 30.50 3br9 n HIS 33 CO 0.00 0.00 0.00 0.45 0.64 0.00 0.00 176.34 177.43 3br9 h HIS 34 N 5.40 0.33 0.00 4.41 3.86 -1.84 -1.15 115.15 126.15 3br9 h HIS 34 Ca 0.49 0.01 0.00 0.00 -1.16 0.00 0.00 60.37 59.70 3br9 h HIS 34 Cb 0.53 -0.11 0.00 0.00 1.06 0.00 0.00 27.41 28.89 3br9 h HIS 34 CO 1.36 0.16 0.00 0.27 0.86 0.00 0.00 177.93 180.57 3br9 n ASN 35 N -4.46 0.00 0.23 2.45 6.94 -1.26 -2.17 115.26 116.99 3br9 n ASN 35 Ca 0.09 -0.04 0.12 0.00 -0.02 0.00 0.00 54.58 54.73 3br9 n ASN 35 Cb 0.39 -0.32 0.41 0.00 -2.36 0.00 0.00 39.78 37.90 3br9 n ASN 35 CO 0.00 0.00 0.00 0.24 -1.03 0.00 0.00 177.26 176.47 3br9 h MET 36 N 0.00 0.00 -5.38 -3.83 2.86 -1.60 -3.45 114.93 103.53 3br9 h MET 36 Ca 0.00 0.00 -0.62 0.00 -2.06 0.00 0.00 59.70 57.02 3br9 h MET 36 Cb 0.31 0.00 -0.15 0.00 0.06 0.00 0.00 31.60 31.82 3br9 h MET 36 CO 0.00 0.12 -0.55 0.08 1.06 0.00 0.00 176.91 177.62 3br9 s VAL 37 N -3.46 4.86 0.08 -2.22 1.01 -0.92 0.15 120.40 119.90 3br9 s VAL 37 Ca 0.03 -0.01 -0.05 0.00 0.00 0.00 0.00 61.98 61.94 3br9 s VAL 37 Cb 0.08 -3.17 -0.02 0.00 0.00 0.00 0.00 36.38 33.27 3br9 s VAL 37 CO 0.63 0.49 0.10 -0.72 0.00 0.00 0.00 175.10 175.60 3br9 s TYR 38 N 0.12 0.38 -0.09 5.22 1.13 -0.81 -3.55 117.35 119.74 3br9 s TYR 38 Ca 0.05 -0.84 0.00 0.00 -1.41 0.00 0.00 57.07 54.88 3br9 s TYR 38 Cb -0.12 -0.22 -0.03 0.00 -1.10 0.00 0.00 41.96 40.49 3br9 s TYR 38 CO 0.00 -0.50 -0.09 0.00 -2.51 0.00 0.00 175.55 172.46 3br9 s ALA 39 N -3.91 2.84 0.60 9.51 0.00 0.26 -1.46 121.76 129.60 3br9 s ALA 39 Ca 0.09 -0.89 -0.19 0.00 0.00 0.00 0.00 51.96 50.96 3br9 s ALA 39 Cb 0.06 -1.23 -0.03 0.00 0.00 0.00 0.00 23.12 21.92 3br9 s ALA 39 CO -0.09 0.43 1.22 0.95 0.00 0.00 0.00 175.76 178.27 3br9 s THR 40 N -0.32 2.55 0.23 0.00 -4.23 -0.13 -4.34 115.64 109.41 3br9 s THR 40 Ca 0.04 0.34 0.01 0.00 -1.18 0.00 0.00 61.69 60.90 3br9 s THR 40 Cb -0.13 -3.13 -0.04 0.00 1.34 0.00 0.00 72.50 70.55 3br9 s THR 40 CO 0.02 -0.08 0.16 0.42 -0.54 0.00 0.00 174.62 174.61 3br9 s THR 41 N -1.58 0.03 -0.03 3.99 -4.23 -1.26 -4.02 115.64 108.53 3br9 s THR 41 Ca 0.78 -2.00 0.27 0.00 -1.18 0.00 0.00 61.69 59.56 3br9 s THR 41 Cb -0.31 -2.50 0.27 0.00 1.34 0.00 0.00 72.50 71.29 3br9 s THR 41 CO 0.34 0.00 1.81 0.77 -0.54 0.00 0.00 174.62 177.00 3br9 h SER 42 N 2.50 0.00 0.65 3.99 4.64 -1.87 -2.62 113.55 120.84 3br9 h SER 42 Ca -0.34 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.98 3br9 h SER 42 Cb 1.25 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.34 3br9 h SER 42 CO 0.50 0.00 0.00 -1.14 -0.87 0.00 0.00 176.83 175.32 3br9 n ARG 43 N -2.44 0.09 -0.12 4.77 3.00 -1.26 -1.35 116.66 119.35 3br9 n ARG 43 Ca -0.02 0.12 0.04 0.00 -0.00 0.00 0.00 57.85 57.99 3br9 n ARG 43 Cb 0.05 -1.50 0.11 0.00 0.00 0.00 0.00 32.46 31.12 3br9 n ARG 43 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.63 176.50 3br9 n SER 44 N -1.44 2.64 -0.12 6.15 3.41 -0.99 -4.72 113.62 118.55 3br9 n SER 44 Ca 0.07 -1.97 -0.01 0.00 -0.26 0.00 0.00 58.87 56.70 3br9 n SER 44 Cb 0.23 -0.16 0.25 0.00 -0.26 0.00 0.00 64.21 64.27 3br9 n SER 44 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3br9 h ALA 45 N 1.50 1.37 -0.98 7.33 0.00 -1.34 -2.37 119.26 124.78 3br9 h ALA 45 Ca 0.00 -0.13 0.15 0.00 0.00 0.00 0.00 54.91 54.93 3br9 h ALA 45 Cb 0.66 -0.23 -0.09 0.00 0.00 0.00 0.00 17.79 18.13 3br9 h ALA 45 CO 0.00 0.48 0.61 0.78 0.00 0.00 0.00 179.25 181.12 3br9 h GLY 46 N 0.91 1.55 0.99 0.00 0.00 -1.85 0.27 103.07 104.95 3br9 h GLY 46 Ca 0.19 -0.36 -0.07 0.00 0.00 0.00 0.00 47.33 47.09 3br9 h GLY 46 CO -0.02 0.06 0.03 1.41 0.00 0.00 0.00 176.54 178.02 3br9 h LEU 47 N 0.82 0.81 0.21 3.11 3.38 -1.79 -1.73 115.31 120.12 3br9 h LEU 47 Ca 0.51 -0.29 -0.01 0.00 0.09 0.00 0.00 57.88 58.18 3br9 h LEU 47 Cb 0.72 -0.22 0.00 0.00 0.09 0.00 0.00 40.66 41.26 3br9 h LEU 47 CO -0.29 0.90 -0.10 -0.09 0.09 0.00 0.00 178.44 178.95 3br9 h ARG 48 N 0.69 -0.27 -0.56 1.13 9.65 -1.14 -2.13 114.38 121.75 3br9 h ARG 48 Ca 0.14 0.02 0.11 0.00 -1.10 0.00 0.00 59.98 59.15 3br9 h ARG 48 Cb 0.47 0.06 -0.11 0.00 -1.39 0.00 0.00 29.97 29.00 3br9 h ARG 48 CO 0.02 -0.17 -0.20 1.96 2.80 0.00 0.00 179.97 184.37 3br9 h GLN 49 N -0.29 -0.07 -0.34 0.20 4.20 -0.39 0.95 115.11 119.37 3br9 h GLN 49 Ca -0.03 0.00 0.07 0.00 0.06 0.00 0.00 58.65 58.75 3br9 h GLN 49 Cb 0.22 0.02 -0.06 0.00 0.30 0.00 0.00 27.48 27.96 3br9 h GLN 49 CO 0.05 -0.05 -0.07 -0.22 -0.67 0.00 0.00 178.83 177.87 3br9 h LYS 50 N -0.07 0.02 -0.20 1.46 3.64 -1.24 -2.26 116.57 117.93 3br9 h LYS 50 Ca 0.26 -0.00 0.03 0.00 -1.27 0.00 0.00 60.65 59.66 3br9 h LYS 50 Cb 0.47 -0.00 -0.03 0.00 -0.41 0.00 0.00 32.23 32.26 3br9 h LYS 50 CO -0.61 0.01 0.04 0.87 -2.27 0.00 0.00 179.45 177.49 3br9 h LYS 51 N 0.02 0.11 -0.01 1.90 1.57 -0.28 -2.84 116.57 117.05 3br9 h LYS 51 Ca 0.16 -0.01 0.00 0.00 -1.87 0.00 0.00 60.65 58.94 3br9 h LYS 51 Cb 0.24 -0.03 0.00 0.00 0.08 0.00 0.00 32.23 32.53 3br9 h LYS 51 CO -0.33 0.07 0.00 1.33 -0.57 0.00 0.00 179.45 179.95 3br9 n VAL 52 N -5.09 0.00 -3.57 0.50 0.24 0.12 -4.75 118.33 105.79 3br9 n VAL 52 Ca -0.03 -0.04 -0.41 0.00 -2.04 0.00 0.00 64.34 61.82 3br9 n VAL 52 Cb 0.09 -0.31 -0.09 0.00 -1.47 0.00 0.00 33.84 32.05 3br9 n VAL 52 CO 0.00 0.00 0.00 -0.89 -2.14 0.00 0.00 176.83 173.80 3br9 s THR 53 N -2.00 4.34 0.24 3.34 2.01 -0.87 -4.67 115.64 118.03 3br9 s THR 53 Ca 0.44 -1.41 -0.22 0.00 0.31 0.00 0.00 61.69 60.81 3br9 s THR 53 Cb 0.21 -3.67 0.04 0.00 0.01 0.00 0.00 72.50 69.08 3br9 s THR 53 CO 0.35 -0.55 0.68 0.72 -0.69 0.00 0.00 174.62 175.12 3br9 s PHE 54 N 1.44 -0.31 0.16 4.92 -0.71 -1.26 -4.95 117.98 117.27 3br9 s PHE 54 Ca 0.03 -0.07 -0.20 0.00 -1.04 0.00 0.00 56.93 55.65 3br9 s PHE 54 Cb -0.24 0.66 -0.08 0.00 -1.21 0.00 0.00 43.02 42.15 3br9 s PHE 54 CO 0.02 -1.10 0.67 0.34 -1.34 0.00 0.00 175.22 173.81 3br9 s ASP 55 N -2.86 7.11 -0.11 1.98 2.15 -1.26 -0.62 116.67 123.06 3br9 s ASP 55 Ca 0.08 1.39 0.02 0.00 0.43 0.00 0.00 52.55 54.46 3br9 s ASP 55 Cb -0.04 -2.41 -0.01 0.00 -0.30 0.00 0.00 42.92 40.16 3br9 s ASP 55 CO 0.00 0.15 -0.16 -0.13 -0.17 0.00 0.00 175.17 174.86 3br9 s ARG 56 N -1.55 3.11 0.15 4.34 3.00 -0.50 -4.93 118.95 122.57 3br9 s ARG 56 Ca 0.37 -0.74 0.10 0.00 0.00 0.00 0.00 55.73 55.46 3br9 s ARG 56 Cb -0.19 -2.50 -0.04 0.00 0.00 0.00 0.00 34.95 32.23 3br9 s ARG 56 CO 0.21 0.29 -0.21 -0.51 0.00 0.00 0.00 175.30 175.09 3br9 s LEU 57 N 0.12 2.55 -0.02 2.53 1.43 -1.26 -1.92 118.68 122.11 3br9 s LEU 57 Ca -0.08 -0.69 -0.02 0.00 -1.03 0.00 0.00 54.13 52.31 3br9 s LEU 57 Cb -0.15 -1.37 0.01 0.00 0.03 0.00 0.00 46.19 44.71 3br9 s LEU 57 CO 0.05 0.16 0.05 -1.58 0.23 0.00 0.00 176.35 175.26 3br9 s GLN 58 N -2.33 0.05 -0.26 1.70 0.74 -1.26 -4.15 119.66 114.16 3br9 s GLN 58 Ca 0.18 0.08 -0.02 0.00 0.05 0.00 0.00 55.36 55.65 3br9 s GLN 58 Cb -0.10 0.01 0.08 0.00 1.10 0.00 0.00 33.01 34.10 3br9 s GLN 58 CO 0.09 -0.02 0.08 0.08 -0.55 0.00 0.00 175.29 174.97 3br9 s VAL 59 N 0.12 0.52 -0.21 1.34 1.01 0.31 -5.02 120.40 118.46 3br9 s VAL 59 Ca -0.01 -0.90 -0.09 0.00 0.00 0.00 0.00 61.98 60.98 3br9 s VAL 59 Cb -0.01 -1.24 -0.05 0.00 0.00 0.00 0.00 36.38 35.08 3br9 s VAL 59 CO -0.00 -0.49 0.11 -0.76 0.00 0.00 0.00 175.10 173.96 3br9 s LEU 60 N 1.83 4.00 0.00 3.92 1.43 -1.26 -4.37 118.68 124.22 3br9 s LEU 60 Ca 0.05 0.11 0.00 0.00 -1.03 0.00 0.00 54.13 53.26 3br9 s LEU 60 Cb -0.17 -2.04 0.00 0.00 0.03 0.00 0.00 46.19 44.01 3br9 s LEU 60 CO -0.20 0.12 0.03 -0.90 0.23 0.00 0.00 176.35 175.63 3br9 n ASP 61 N 3.89 1.68 0.01 2.29 5.75 -1.26 -4.98 116.55 123.93 3br9 n ASP 61 Ca -0.16 -1.29 -0.05 0.00 -0.01 0.00 0.00 54.79 53.27 3br9 n ASP 61 Cb 0.52 0.02 0.15 0.00 -1.03 0.00 0.00 41.12 40.78 3br9 n ASP 61 CO 0.00 0.00 0.00 0.44 -0.11 0.00 0.00 177.20 177.53 3br9 h ASP 62 N 0.13 0.52 -0.40 -1.12 3.32 -1.98 -1.76 116.42 115.12 3br9 h ASP 62 Ca -0.06 -0.21 0.03 0.00 0.02 0.00 0.00 57.03 56.81 3br9 h ASP 62 Cb 0.18 -0.14 -0.03 0.00 0.22 0.00 0.00 39.33 39.56 3br9 h ASP 62 CO 0.09 0.83 0.21 0.45 -1.72 0.00 0.00 179.24 179.10 3br9 h HIS 63 N 0.42 0.39 -0.23 4.55 3.86 -1.96 0.57 115.15 122.76 3br9 h HIS 63 Ca 0.05 0.02 0.06 0.00 -1.16 0.00 0.00 60.37 59.33 3br9 h HIS 63 Cb 0.81 -0.12 -0.06 0.00 1.06 0.00 0.00 27.41 29.11 3br9 h HIS 63 CO 0.03 0.21 -0.14 -0.92 0.86 0.00 0.00 177.93 177.97 3br9 h TYR 64 N 0.43 -0.34 -0.22 2.45 3.20 -1.76 -1.28 116.97 119.46 3br9 h TYR 64 Ca 0.17 0.03 -0.10 0.00 3.14 0.00 0.00 58.73 61.97 3br9 h TYR 64 Cb 0.06 0.19 -0.01 0.00 1.54 0.00 0.00 36.73 38.50 3br9 h TYR 64 CO -0.09 -0.21 -0.29 0.00 -1.64 0.00 0.00 178.16 175.93 3br9 h ARG 65 N -0.12 0.43 -0.19 1.82 3.08 -0.67 -1.72 114.38 117.01 3br9 h ARG 65 Ca 0.13 -0.17 -0.02 0.00 0.07 0.00 0.00 59.98 59.98 3br9 h ARG 65 Cb 0.31 -0.02 -0.01 0.00 0.08 0.00 0.00 29.97 30.34 3br9 h ARG 65 CO -0.31 0.68 0.02 -0.44 -1.07 0.00 0.00 179.97 178.85 3br9 h ASP 66 N 0.37 0.30 -0.69 7.04 3.32 0.52 -0.99 116.42 126.30 3br9 h ASP 66 Ca 0.05 -0.28 -0.01 0.00 0.02 0.00 0.00 57.03 56.81 3br9 h ASP 66 Cb 0.70 -0.08 -0.03 0.00 0.22 0.00 0.00 39.33 40.14 3br9 h ASP 66 CO 0.05 0.50 0.38 0.58 -1.72 0.00 0.00 179.24 179.04 3br9 h VAL 67 N 0.09 1.21 -0.58 -1.35 2.07 -1.06 -0.50 116.25 116.13 3br9 h VAL 67 Ca 0.05 -0.53 -0.01 0.00 0.82 0.00 0.00 66.70 67.04 3br9 h VAL 67 Cb 0.34 0.30 -0.03 0.00 -1.52 0.00 0.00 31.29 30.38 3br9 h VAL 67 CO 0.01 0.23 0.34 0.25 0.02 0.00 0.00 177.57 178.42 3br9 h LEU 68 N 0.95 0.71 -0.44 2.57 5.85 -1.15 0.25 115.31 124.06 3br9 h LEU 68 Ca 0.24 -0.07 0.03 0.00 0.84 0.00 0.00 57.88 58.93 3br9 h LEU 68 Cb 0.03 -0.18 -0.04 0.00 0.37 0.00 0.00 40.66 40.84 3br9 h LEU 68 CO -0.04 0.58 0.22 0.50 -0.34 0.00 0.00 178.44 179.36 3br9 h LYS 69 N 0.79 0.43 -0.25 1.25 3.64 -0.57 0.18 116.57 122.04 3br9 h LYS 69 Ca 0.21 -0.03 0.03 0.00 -1.27 0.00 0.00 60.65 59.59 3br9 h LYS 69 Cb 0.00 -0.10 -0.03 0.00 -0.41 0.00 0.00 32.23 31.70 3br9 h LYS 69 CO -0.04 0.29 0.08 0.93 -2.27 0.00 0.00 179.45 178.44 3br9 h GLU 70 N 0.45 0.19 -0.83 1.90 5.08 -0.33 -1.05 114.58 119.99 3br9 h GLU 70 Ca 0.19 -0.01 0.02 0.00 -1.00 0.00 0.00 59.36 58.55 3br9 h GLU 70 Cb 0.09 -0.04 -0.04 0.00 0.50 0.00 0.00 28.75 29.25 3br9 h GLU 70 CO -0.13 0.13 0.54 0.52 -1.00 0.00 0.00 179.01 179.07 3br9 h MET 71 N 0.20 1.06 -0.65 2.33 2.86 0.09 -1.87 114.93 118.94 3br9 h MET 71 Ca 0.11 -0.06 -0.06 0.00 -2.06 0.00 0.00 59.70 57.62 3br9 h MET 71 Cb 0.08 -0.24 -0.03 0.00 0.06 0.00 0.00 31.60 31.47 3br9 h MET 71 CO -0.12 0.70 0.16 0.87 1.06 0.00 0.00 176.91 179.59 3br9 h LYS 72 N 1.09 1.04 -0.34 1.72 1.57 -0.46 0.99 116.57 122.18 3br9 h LYS 72 Ca 0.31 -0.25 0.03 0.00 -1.87 0.00 0.00 60.65 58.87 3br9 h LYS 72 Cb -0.08 -0.14 -0.03 0.00 0.08 0.00 0.00 32.23 32.06 3br9 h LYS 72 CO -0.08 0.94 0.16 0.00 -0.57 0.00 0.00 179.45 179.89 3br9 h ALA 73 N 1.06 0.42 -0.65 3.86 0.00 -0.80 0.12 119.26 123.26 3br9 h ALA 73 Ca 0.20 0.02 -0.07 0.00 0.00 0.00 0.00 54.91 55.06 3br9 h ALA 73 Cb 0.36 -0.04 -0.03 0.00 0.00 0.00 0.00 17.79 18.09 3br9 h ALA 73 CO 0.00 -0.22 0.13 0.87 0.00 0.00 0.00 179.25 180.03 3br9 h LYS 74 N 0.33 1.05 0.00 0.00 1.57 -1.13 -2.82 116.57 115.57 3br9 h LYS 74 Ca 0.15 -0.26 -0.04 0.00 -1.87 0.00 0.00 60.65 58.63 3br9 h LYS 74 Cb 0.07 -0.13 -0.01 0.00 0.08 0.00 0.00 32.23 32.24 3br9 h LYS 74 CO -0.11 0.95 -0.19 0.00 -0.57 0.00 0.00 179.45 179.52 3br9 h ALA 75 N 1.14 1.24 0.00 3.86 0.00 -0.25 -1.98 119.26 123.28 3br9 h ALA 75 Ca 0.20 -0.17 0.00 0.00 0.00 0.00 0.00 54.91 54.94 3br9 h ALA 75 Cb 0.39 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.15 3br9 h ALA 75 CO 0.01 0.24 0.00 -1.13 0.00 0.00 0.00 179.25 178.37 3br9 n SER 76 N -3.67 0.28 -0.27 0.00 3.41 0.37 -2.32 113.62 111.42 3br9 n SER 76 Ca -0.01 0.57 0.12 0.00 -0.26 0.00 0.00 58.87 59.29 3br9 n SER 76 Cb 0.31 -0.63 0.27 0.00 -0.26 0.00 0.00 64.21 63.90 3br9 n SER 76 CO 0.00 0.00 0.00 0.35 -0.16 0.00 0.00 175.04 175.23 3br9 n THR 77 N -1.81 0.00 -3.29 6.66 -2.24 -0.74 -4.65 114.28 108.21 3br9 n THR 77 Ca 0.03 -0.14 -0.37 0.00 -2.27 0.00 0.00 64.05 61.29 3br9 n THR 77 Cb 0.19 0.58 -0.06 0.00 -2.10 0.00 0.00 70.33 68.94 3br9 n THR 77 CO 0.00 0.00 0.00 -0.69 -0.57 0.00 0.00 175.07 173.81 3br9 s VAL 78 N -2.55 4.76 -0.11 2.28 1.01 -0.98 -4.96 120.40 119.85 3br9 s VAL 78 Ca 0.21 1.10 0.04 0.00 0.00 0.00 0.00 61.98 63.33 3br9 s VAL 78 Cb 0.19 -3.84 0.00 0.00 0.00 0.00 0.00 36.38 32.73 3br9 s VAL 78 CO 0.56 0.43 -0.23 -0.75 0.00 0.00 0.00 175.10 175.12 3br9 s LYS 79 N -1.43 2.94 0.05 2.72 2.20 -1.26 -0.06 119.74 124.89 3br9 s LYS 79 Ca 0.33 -0.84 0.06 0.00 -0.36 0.00 0.00 55.97 55.16 3br9 s LYS 79 Cb -0.18 -2.26 -0.02 0.00 -1.51 0.00 0.00 37.83 33.86 3br9 s LYS 79 CO 0.19 0.13 -0.17 0.00 -0.36 0.00 0.00 175.35 175.14 3br9 s ALA 80 N 0.47 1.39 0.13 3.13 0.00 -0.73 -4.94 121.76 121.21 3br9 s ALA 80 Ca -0.16 -0.94 0.00 0.00 0.00 0.00 0.00 51.96 50.86 3br9 s ALA 80 Cb -0.17 -0.23 -0.04 0.00 0.00 0.00 0.00 23.12 22.68 3br9 s ALA 80 CO 0.06 0.28 0.29 -1.59 0.00 0.00 0.00 175.76 174.80 3br9 s LYS 81 N -1.25 3.47 0.22 0.00 -2.85 -1.26 -4.37 119.74 113.70 3br9 s LYS 81 Ca 0.03 -0.45 -0.30 0.00 -1.00 0.00 0.00 55.97 54.25 3br9 s LYS 81 Cb -0.08 -2.96 -0.09 0.00 -2.06 0.00 0.00 37.83 32.64 3br9 s LYS 81 CO 0.02 0.53 1.23 -1.17 0.10 0.00 0.00 175.35 176.05 3br9 s LEU 82 N -2.95 4.45 0.38 2.77 2.96 -1.26 -4.46 118.68 120.57 3br9 s LEU 82 Ca 0.36 2.35 -0.16 0.00 -0.22 0.00 0.00 54.13 56.46 3br9 s LEU 82 Cb -0.12 -3.62 -0.09 0.00 0.50 0.00 0.00 46.19 42.87 3br9 s LEU 82 CO 0.28 -0.40 0.82 -0.76 -1.32 0.00 0.00 176.35 174.96 3br9 s LEU 83 N -0.58 3.96 0.79 -0.68 1.02 -0.02 -5.04 118.68 118.13 3br9 s LEU 83 Ca 0.52 1.39 -0.11 0.00 0.02 0.00 0.00 54.13 55.95 3br9 s LEU 83 Cb -0.35 -4.22 0.06 0.00 0.02 0.00 0.00 46.19 41.70 3br9 s LEU 83 CO 0.40 -0.30 1.08 -0.94 0.02 0.00 0.00 176.35 176.61 3br9 s SER 84 N -2.44 4.51 0.19 2.29 1.04 -1.26 -4.68 113.70 113.34 3br9 s SER 84 Ca 0.56 1.57 -0.12 0.00 0.48 0.00 0.00 55.95 58.44 3br9 s SER 84 Cb -0.10 -2.32 0.21 0.00 0.10 0.00 0.00 66.02 63.91 3br9 s SER 84 CO 0.19 -1.99 1.74 0.58 0.98 0.00 0.00 173.24 174.74 3br9 h VAL 85 N -1.10 0.79 -0.03 5.02 2.07 -1.97 -1.70 116.25 119.32 3br9 h VAL 85 Ca -0.46 -0.12 0.01 0.00 0.82 0.00 0.00 66.70 66.95 3br9 h VAL 85 Cb 1.25 0.41 -0.01 0.00 -1.52 0.00 0.00 31.29 31.42 3br9 h VAL 85 CO 0.55 0.06 -0.01 -0.33 0.02 0.00 0.00 177.57 177.86 3br9 h GLU 86 N 0.34 -0.01 -0.42 1.57 3.07 -1.98 0.19 114.58 117.34 3br9 h GLU 86 Ca 0.26 0.00 0.05 0.00 -0.50 0.00 0.00 59.36 59.18 3br9 h GLU 86 Cb 0.31 0.00 -0.05 0.00 -0.84 0.00 0.00 28.75 28.18 3br9 h GLU 86 CO -0.28 -0.01 0.15 0.93 -1.40 0.00 0.00 179.01 178.40 3br9 h GLU 87 N -0.01 0.30 -0.65 2.33 5.08 -1.88 -0.39 114.58 119.36 3br9 h GLU 87 Ca 0.02 -0.02 -0.01 0.00 -1.00 0.00 0.00 59.36 58.35 3br9 h GLU 87 Cb 0.04 -0.07 -0.03 0.00 0.50 0.00 0.00 28.75 29.19 3br9 h GLU 87 CO -0.04 0.20 0.35 0.00 -1.00 0.00 0.00 179.01 178.53 3br9 h ALA 88 N 1.28 0.83 -0.57 3.43 0.00 -0.85 -2.46 119.26 120.92 3br9 h ALA 88 Ca 0.20 -0.11 0.03 0.00 0.00 0.00 0.00 54.91 55.03 3br9 h ALA 88 Cb 0.19 -0.26 -0.04 0.00 0.00 0.00 0.00 17.79 17.68 3br9 h ALA 88 CO -0.20 0.35 0.34 0.00 0.00 0.00 0.00 179.25 179.74 3br9 h LYS 90 N 0.68 0.00 -0.01 0.00 1.79 -0.62 -1.95 116.57 116.45 3br9 h LYS 90 Ca 0.23 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.70 3br9 h LYS 90 Cb 0.03 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 30.68 3br9 h LYS 90 CO -0.10 0.00 -0.02 1.28 -1.08 0.00 0.00 179.45 179.52 3br9 n LEU 91 N -2.51 1.08 -4.68 2.94 4.77 -0.87 -4.81 117.00 112.92 3br9 n LEU 91 Ca 0.00 -0.35 -0.41 0.00 -0.03 0.00 0.00 56.01 55.22 3br9 n LEU 91 Cb 0.16 -0.02 -0.04 0.00 -2.33 0.00 0.00 43.42 41.19 3br9 n LEU 91 CO 0.18 0.18 0.63 -0.89 -1.33 0.00 0.00 177.39 176.16 3br9 s THR 92 N -2.06 4.88 0.49 -5.08 2.01 -0.73 0.11 115.64 115.25 3br9 s THR 92 Ca 0.39 1.71 -0.23 0.00 0.31 0.00 0.00 61.69 63.86 3br9 s THR 92 Cb 0.21 -4.17 -0.07 0.00 0.01 0.00 0.00 72.50 68.48 3br9 s THR 92 CO 0.36 0.05 1.27 -2.65 -0.69 0.00 0.00 174.62 172.96 3br9 n PRO 93 N 5.03 1.73 0.26 4.92 -0.02 -1.26 -4.74 135.00 140.92 3br9 n PRO 93 Ca 0.05 0.63 0.12 0.00 -2.02 0.00 0.00 63.50 62.27 3br9 n PRO 93 Cb 0.49 -2.44 0.71 0.00 -0.02 0.00 0.00 33.50 32.24 3br9 n PRO 93 CO 0.00 0.00 0.00 -1.35 1.98 0.00 0.00 175.50 176.13 3br9 h PRO 94 N 1.66 0.00 -0.00 0.52 0.11 -1.96 -2.63 132.00 129.69 3br9 h PRO 94 Ca -0.49 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.62 3br9 h PRO 94 Cb 1.31 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.42 3br9 h PRO 94 CO 0.58 0.12 -0.45 -2.39 -0.21 0.00 0.00 178.00 175.64 3br9 n HIS 95 N -3.76 0.00 -1.46 0.65 1.44 -1.26 -4.30 115.22 106.53 3br9 n HIS 95 Ca -0.02 0.00 -0.46 0.00 -2.01 0.00 0.00 57.72 55.23 3br9 n HIS 95 Cb 0.23 -0.17 -0.02 0.00 0.12 0.00 0.00 29.99 30.15 3br9 n HIS 95 CO 0.00 0.00 0.00 0.45 -2.81 0.00 0.00 176.34 173.98 3br9 n SER 96 N -1.11 -0.49 -4.71 4.39 2.88 -0.99 -4.78 113.62 108.80 3br9 n SER 96 Ca 0.08 1.12 -0.43 0.00 -1.33 0.00 0.00 58.87 58.31 3br9 n SER 96 Cb 0.35 -1.06 -0.02 0.00 -0.75 0.00 0.00 64.21 62.72 3br9 n SER 96 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 3br9 n ALA 97 N -0.02 1.93 -1.19 -1.46 0.00 -1.26 -4.11 120.51 114.40 3br9 n ALA 97 Ca 0.15 0.39 -0.33 0.00 0.00 0.00 0.00 53.44 53.65 3br9 n ALA 97 Cb 0.29 -2.39 0.11 0.00 0.00 0.00 0.00 19.45 17.46 3br9 n ALA 97 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 177.50 175.91 3br9 s LYS 98 N -0.27 1.87 0.60 0.00 -2.85 -1.26 -4.55 119.74 113.28 3br9 s LYS 98 Ca 0.67 1.67 -0.16 0.00 -1.00 0.00 0.00 55.97 57.15 3br9 s LYS 98 Cb -0.57 -1.81 -0.03 0.00 -2.06 0.00 0.00 37.83 33.36 3br9 s LYS 98 CO 0.47 -2.02 1.08 0.45 0.10 0.00 0.00 175.35 175.43 3br9 s SER 99 N -2.29 5.64 0.00 0.03 0.15 0.65 -4.60 113.70 113.28 3br9 s SER 99 Ca 0.72 1.90 0.29 0.00 0.70 0.00 0.00 55.95 59.56 3br9 s SER 99 Cb -0.27 -2.54 1.66 0.00 -1.71 0.00 0.00 66.02 63.16 3br9 s SER 99 CO 0.49 -1.27 2.07 0.29 1.20 0.00 0.00 173.24 176.02 3br9 n LYS 100 N -2.00 0.76 -1.03 5.44 5.02 -1.26 -3.65 118.16 121.43 3br9 n LYS 100 Ca 0.09 0.01 -0.14 0.00 -2.02 0.00 0.00 58.31 56.25 3br9 n LYS 100 Cb 0.52 -1.50 0.19 0.00 -0.02 0.00 0.00 35.03 34.23 3br9 n LYS 100 CO 0.00 0.00 0.00 1.19 -0.52 0.00 0.00 177.40 178.07 3br9 n PHE 101 N -1.09 2.13 -2.67 2.13 3.72 -1.26 -4.93 117.46 115.49 3br9 n PHE 101 Ca 0.19 -1.73 -0.09 0.00 -0.05 0.00 0.00 57.45 55.78 3br9 n PHE 101 Cb 0.14 -0.73 0.05 0.00 -0.94 0.00 0.00 39.48 38.00 3br9 n PHE 101 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 3br9 n GLY 102 N -1.12 -0.09 3.59 1.37 0.00 -1.24 -5.04 105.19 102.66 3br9 n GLY 102 Ca 0.47 -0.03 -0.07 0.00 0.00 0.00 0.00 46.02 46.40 3br9 n GLY 102 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 3br9 s TYR 103 N -3.21 -0.28 0.37 1.61 -0.85 -1.26 -4.98 117.35 108.76 3br9 s TYR 103 Ca 0.09 0.07 0.04 0.00 -0.52 0.00 0.00 57.07 56.76 3br9 s TYR 103 Cb -0.01 0.58 -0.03 0.00 0.38 0.00 0.00 41.96 42.87 3br9 s TYR 103 CO 0.41 -0.68 0.14 0.20 -1.52 0.00 0.00 175.55 174.10 3br9 s GLY 104 N -2.67 2.39 0.30 5.49 0.00 -1.26 -0.25 107.32 111.32 3br9 s GLY 104 Ca 0.07 -1.51 0.01 0.00 0.00 0.00 0.00 44.72 43.29 3br9 s GLY 104 CO -0.05 -1.74 1.89 0.00 0.00 0.00 0.00 173.10 173.20 3br9 h ALA 105 N 1.95 1.52 -0.04 3.20 0.00 -1.82 -1.11 119.26 122.95 3br9 h ALA 105 Ca -0.35 -0.01 -0.10 0.00 0.00 0.00 0.00 54.91 54.45 3br9 h ALA 105 Cb 1.26 -0.25 -0.01 0.00 0.00 0.00 0.00 17.79 18.78 3br9 h ALA 105 CO 0.55 0.31 -0.43 0.87 0.00 0.00 0.00 179.25 180.55 3br9 h LYS 106 N 1.02 0.10 -0.33 0.00 1.57 -1.87 0.20 116.57 117.26 3br9 h LYS 106 Ca 0.42 -0.05 -0.07 0.00 -1.87 0.00 0.00 60.65 59.08 3br9 h LYS 106 Cb 0.28 -0.00 -0.02 0.00 0.08 0.00 0.00 32.23 32.58 3br9 h LYS 106 CO -0.18 0.52 -0.09 -0.44 -0.57 0.00 0.00 179.45 178.69 3br9 h ASP 107 N 0.08 0.53 -0.06 0.86 3.32 -1.62 -1.21 116.42 118.32 3br9 h ASP 107 Ca 0.00 -0.13 -0.04 0.00 0.02 0.00 0.00 57.03 56.88 3br9 h ASP 107 Cb 0.81 -0.14 0.00 0.00 0.22 0.00 0.00 39.33 40.21 3br9 h ASP 107 CO 0.06 0.66 -0.11 0.58 -1.72 0.00 0.00 179.24 178.71 3br9 h VAL 108 N 0.51 1.41 -0.69 -1.35 2.07 -0.70 0.20 116.25 117.70 3br9 h VAL 108 Ca 0.10 -1.40 -0.08 0.00 0.82 0.00 0.00 66.70 66.14 3br9 h VAL 108 Cb 0.47 2.19 -0.03 0.00 -1.52 0.00 0.00 31.29 32.40 3br9 h VAL 108 CO 0.03 0.39 0.13 0.03 0.02 0.00 0.00 177.57 178.17 3br9 h ARG 109 N -0.30 1.12 -0.67 1.57 3.08 -0.51 -2.06 114.38 116.61 3br9 h ARG 109 Ca 0.00 -0.29 0.00 0.00 0.07 0.00 0.00 59.98 59.76 3br9 h ARG 109 Cb 0.69 -0.14 0.00 0.00 0.08 0.00 0.00 29.97 30.60 3br9 h ARG 109 CO 0.03 1.01 0.00 0.27 -1.07 0.00 0.00 179.97 180.21 3br9 n ASN 110 N -4.23 4.09 -0.81 7.04 2.04 -0.47 -4.75 115.26 118.18 3br9 n ASN 110 Ca 0.05 -2.21 -0.08 0.00 -0.44 0.00 0.00 54.58 51.89 3br9 n ASN 110 Cb 0.28 -0.51 -0.01 0.00 -2.53 0.00 0.00 39.78 37.00 3br9 n ASN 110 CO 0.00 0.00 0.00 0.18 -0.44 0.00 0.00 177.26 177.00 3br9 n LEU 111 N 1.27 -1.08 -4.52 -4.53 4.77 -0.51 -4.97 117.00 107.43 3br9 n LEU 111 Ca 0.24 0.07 -0.45 0.00 -0.03 0.00 0.00 56.01 55.83 3br9 n LEU 111 Cb 0.71 -1.43 -0.02 0.00 -2.33 0.00 0.00 43.42 40.36 3br9 n LEU 111 CO 0.19 -0.21 0.34 -1.54 -1.33 0.00 0.00 177.39 174.85 3br9 n SER 112 N 0.56 0.30 0.00 -1.43 3.41 0.58 -4.71 113.62 112.33 3br9 n SER 112 Ca -0.09 1.13 0.14 0.00 -0.26 0.00 0.00 58.87 59.79 3br9 n SER 112 Cb 0.46 -1.17 0.73 0.00 -0.26 0.00 0.00 64.21 63.96 3br9 n SER 112 CO 0.00 0.00 0.00 -1.54 -0.16 0.00 0.00 175.04 173.34 3br9 n SER 113 N 1.44 0.00 -0.12 4.04 3.41 -1.26 -1.78 113.62 119.34 3br9 n SER 113 Ca 0.12 -0.12 -0.13 0.00 -0.26 0.00 0.00 58.87 58.49 3br9 n SER 113 Cb 0.31 -0.29 -0.02 0.00 -0.26 0.00 0.00 64.21 63.95 3br9 n SER 113 CO 0.00 0.00 0.00 0.50 -0.16 0.00 0.00 175.04 175.38 3br9 h LYS 114 N 0.00 0.85 0.19 4.33 3.64 -1.94 -1.12 116.57 122.52 3br9 h LYS 114 Ca 0.00 -0.42 -0.01 0.00 -1.27 0.00 0.00 60.65 58.95 3br9 h LYS 114 Cb 0.28 -0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.10 3br9 h LYS 114 CO 0.00 1.06 -0.09 0.00 -2.27 0.00 0.00 179.45 178.15 3br9 h ALA 115 N 0.78 -0.25 -0.97 5.00 0.00 -1.70 -2.92 119.26 119.19 3br9 h ALA 115 Ca 0.07 -0.21 0.18 0.00 0.00 0.00 0.00 54.91 54.96 3br9 h ALA 115 Cb 0.86 0.10 -0.10 0.00 0.00 0.00 0.00 17.79 18.64 3br9 h ALA 115 CO 0.07 -0.31 0.57 0.28 0.00 0.00 0.00 179.25 179.87 3br9 h VAL 116 N -0.92 0.71 -0.07 0.00 2.07 -1.45 0.14 116.25 116.73 3br9 h VAL 116 Ca -0.03 -0.25 -0.01 0.00 0.82 0.00 0.00 66.70 67.23 3br9 h VAL 116 Cb 0.49 -0.09 -0.00 0.00 -1.52 0.00 0.00 31.29 30.17 3br9 h VAL 116 CO 0.04 0.13 0.02 0.78 0.02 0.00 0.00 177.57 178.57 3br9 h ASN 117 N 0.74 0.11 -0.27 0.57 -0.26 -1.28 -0.84 115.58 114.36 3br9 h ASN 117 Ca 0.55 -0.22 0.00 0.00 -0.56 0.00 0.00 56.30 56.08 3br9 h ASN 117 Cb 0.84 -0.03 -0.01 0.00 -1.06 0.00 0.00 38.32 38.06 3br9 h ASN 117 CO -0.38 0.30 0.17 -0.74 -1.06 0.00 0.00 177.43 175.72 3br9 h HIS 118 N -0.08 0.34 -0.87 1.19 2.76 -1.08 -1.86 115.15 115.55 3br9 h HIS 118 Ca 0.02 0.00 0.10 0.00 -2.20 0.00 0.00 60.37 58.30 3br9 h HIS 118 Cb 0.23 -0.11 -0.08 0.00 1.55 0.00 0.00 27.41 29.00 3br9 h HIS 118 CO 0.00 0.23 0.51 0.82 -1.30 0.00 0.00 177.93 178.20 3br9 h ILE 119 N 0.35 0.92 -0.65 6.26 2.04 -0.56 0.23 117.51 126.09 3br9 h ILE 119 Ca 0.10 -0.29 -0.02 0.00 1.00 0.00 0.00 64.86 65.64 3br9 h ILE 119 Cb -0.02 -0.01 -0.03 0.00 -0.74 0.00 0.00 36.82 36.02 3br9 h ILE 119 CO -0.02 0.16 0.32 0.45 0.00 0.00 0.00 178.15 179.06 3br9 h HIS 120 N 0.86 0.91 -0.07 1.37 3.86 -0.78 -0.61 115.15 120.69 3br9 h HIS 120 Ca 0.42 -0.03 -0.19 0.00 -1.16 0.00 0.00 60.37 59.41 3br9 h HIS 120 Cb 0.38 -0.29 -0.00 0.00 1.06 0.00 0.00 27.41 28.56 3br9 h HIS 120 CO -0.05 0.66 -0.75 0.66 0.86 0.00 0.00 177.93 179.32 3br9 h SER 121 N 0.92 0.49 -0.57 2.45 4.64 -0.09 -1.47 113.55 119.91 3br9 h SER 121 Ca 0.23 -0.32 0.01 0.00 -0.47 0.00 0.00 61.79 61.23 3br9 h SER 121 Cb 0.08 -0.14 -0.03 0.00 -0.31 0.00 0.00 62.40 62.00 3br9 h SER 121 CO -0.03 1.07 0.37 0.58 -0.87 0.00 0.00 176.83 177.95 3br9 h VAL 122 N 0.27 1.14 -0.40 0.95 2.07 -0.28 -0.35 116.25 119.65 3br9 h VAL 122 Ca -0.03 -0.26 -0.08 0.00 0.82 0.00 0.00 66.70 67.14 3br9 h VAL 122 Cb 1.33 0.31 -0.01 0.00 -1.52 0.00 0.00 31.29 31.39 3br9 h VAL 122 CO 0.13 0.14 -0.08 -0.25 0.02 0.00 0.00 177.57 177.53 3br9 h TRP 123 N 0.76 0.85 -0.70 1.57 2.91 -0.95 0.22 115.95 120.61 3br9 h TRP 123 Ca 0.21 -0.18 -0.07 0.00 1.13 0.00 0.00 58.89 59.98 3br9 h TRP 123 Cb -0.08 -0.21 -0.03 0.00 -0.51 0.00 0.00 29.16 28.33 3br9 h TRP 123 CO -0.04 0.88 0.17 -0.22 -1.03 0.00 0.00 178.44 178.21 3br9 h LYS 124 N 0.58 1.12 -0.28 2.65 3.64 -1.18 -0.05 116.57 123.05 3br9 h LYS 124 Ca 0.10 -0.27 0.02 0.00 -1.27 0.00 0.00 60.65 59.24 3br9 h LYS 124 Cb 0.59 -0.15 -0.03 0.00 -0.41 0.00 0.00 32.23 32.24 3br9 h LYS 124 CO 0.04 0.99 0.12 0.22 -2.27 0.00 0.00 179.45 178.54 3br9 h ASP 125 N 1.06 0.16 -0.88 4.20 3.58 -0.42 -0.91 116.42 123.22 3br9 h ASP 125 Ca 0.22 0.02 0.03 0.00 0.42 0.00 0.00 57.03 57.72 3br9 h ASP 125 Cb 0.37 -0.01 -0.05 0.00 1.72 0.00 0.00 39.33 41.36 3br9 h ASP 125 CO 0.00 0.13 0.58 -0.07 -2.88 0.00 0.00 179.24 177.00 3br9 h LEU 126 N 0.26 0.95 -0.95 2.28 3.38 0.03 0.19 115.31 121.45 3br9 h LEU 126 Ca 0.12 -0.01 -0.11 0.00 0.09 0.00 0.00 57.88 57.97 3br9 h LEU 126 Cb 0.06 -0.22 -0.02 0.00 0.09 0.00 0.00 40.66 40.57 3br9 h LEU 126 CO -0.10 0.65 -0.51 -0.07 0.09 0.00 0.00 178.44 178.51 3br9 h LEU 127 N 1.10 0.00 0.00 1.67 3.38 -0.64 -3.31 115.31 117.51 3br9 h LEU 127 Ca 0.35 0.00 -0.04 0.00 0.09 0.00 0.00 57.88 58.28 3br9 h LEU 127 Cb 0.02 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 40.76 3br9 h LEU 127 CO -0.10 0.51 -1.46 -0.62 0.09 0.00 0.00 178.44 176.86 3br9 n GLU 128 N -3.86 0.63 -3.83 1.13 1.02 -0.14 -4.84 120.64 110.75 3br9 n GLU 128 Ca -0.01 0.02 -0.23 0.00 -0.02 0.00 0.00 57.16 56.92 3br9 n GLU 128 Cb 0.53 -1.71 -0.17 0.00 -0.02 0.00 0.00 31.44 30.07 3br9 n GLU 128 CO 0.00 0.00 0.00 0.34 1.18 0.00 0.00 177.13 178.65 3br9 s ASP 129 N -5.15 1.63 -0.15 1.62 -1.08 0.49 -5.00 116.67 109.03 3br9 s ASP 129 Ca -0.04 -0.13 0.18 0.00 -0.52 0.00 0.00 52.55 52.04 3br9 s ASP 129 Cb 0.11 -0.51 0.40 0.00 -1.46 0.00 0.00 42.92 41.45 3br9 s ASP 129 CO 0.83 -0.17 1.27 0.35 0.52 0.00 0.00 175.17 177.98 3br9 n THR 130 N 5.01 2.07 0.00 1.71 -2.24 -1.26 -4.53 114.28 115.03 3br9 n THR 130 Ca -0.10 -2.09 0.00 0.00 -2.27 0.00 0.00 64.05 59.59 3br9 n THR 130 Cb 0.50 -0.24 0.00 0.00 -2.10 0.00 0.00 70.33 68.49 3br9 n THR 130 CO 0.00 0.00 0.00 1.33 -0.57 0.00 0.00 175.07 175.83 3br9 n VAL 131 N -1.02 0.00 -2.56 2.28 0.24 -1.26 -4.55 118.33 111.47 3br9 n VAL 131 Ca 0.18 0.00 -0.43 0.00 -2.04 0.00 0.00 64.34 62.05 3br9 n VAL 131 Cb 0.75 -0.16 -0.02 0.00 -1.47 0.00 0.00 33.84 32.94 3br9 n VAL 131 CO 0.00 0.00 0.00 -0.89 -2.14 0.00 0.00 176.83 173.80 3br9 s THR 132 N -1.11 4.41 0.18 3.34 2.01 -1.26 -4.78 115.64 118.43 3br9 s THR 132 Ca 0.00 1.64 -0.32 0.00 0.31 0.00 0.00 61.69 63.32 3br9 s THR 132 Cb 0.00 -4.28 -0.16 0.00 0.01 0.00 0.00 72.50 68.08 3br9 s THR 132 CO 0.00 -0.39 1.12 -2.65 -0.69 0.00 0.00 174.62 172.01 3br9 n PRO 133 N 6.86 1.10 -3.44 4.92 -0.02 -1.26 -4.68 135.00 138.48 3br9 n PRO 133 Ca 0.13 0.39 -0.37 0.00 -2.02 0.00 0.00 63.50 61.63 3br9 n PRO 133 Cb 0.46 -1.86 -0.06 0.00 -0.02 0.00 0.00 33.50 32.03 3br9 n PRO 133 CO 0.00 0.00 0.00 0.42 1.98 0.00 0.00 175.50 177.90 3br9 s ILE 134 N -0.30 5.18 0.61 4.25 1.01 0.84 -4.96 121.20 127.83 3br9 s ILE 134 Ca 0.72 0.79 -0.19 0.00 0.00 0.00 0.00 60.65 61.97 3br9 s ILE 134 Cb -0.85 -3.73 -0.03 0.00 0.01 0.00 0.00 42.46 37.86 3br9 s ILE 134 CO 0.53 0.42 1.30 -0.62 0.00 0.00 0.00 174.94 176.58 3br9 s ASP 135 N 0.04 4.88 0.05 3.58 2.15 -1.26 -4.36 116.67 121.75 3br9 s ASP 135 Ca 0.22 2.64 0.00 0.00 0.43 0.00 0.00 52.55 55.84 3br9 s ASP 135 Cb -0.15 -2.62 -0.03 0.00 -0.30 0.00 0.00 42.92 39.82 3br9 s ASP 135 CO 0.09 -1.82 -0.04 0.42 -0.17 0.00 0.00 175.17 173.65 3br9 s THR 136 N -1.39 0.29 -0.16 1.71 -4.23 -1.17 -4.35 115.64 106.34 3br9 s THR 136 Ca 0.79 -1.50 -0.06 0.00 -1.18 0.00 0.00 61.69 59.74 3br9 s THR 136 Cb -0.38 -1.09 -0.04 0.00 1.34 0.00 0.00 72.50 72.33 3br9 s THR 136 CO 0.41 -0.78 0.04 -0.89 -0.54 0.00 0.00 174.62 172.87 3br9 s THR 137 N -2.92 4.63 -0.21 3.99 2.01 0.28 -0.49 115.64 122.93 3br9 s THR 137 Ca -0.01 -0.10 -0.07 0.00 0.31 0.00 0.00 61.69 61.83 3br9 s THR 137 Cb 0.01 -3.05 -0.03 0.00 0.01 0.00 0.00 72.50 69.43 3br9 s THR 137 CO -0.06 0.50 0.05 -0.51 -0.69 0.00 0.00 174.62 173.91 3br9 s ILE 138 N 0.05 4.36 0.19 1.82 2.07 -0.24 -1.36 121.20 128.10 3br9 s ILE 138 Ca 0.05 -0.17 0.07 0.00 -1.41 0.00 0.00 60.65 59.19 3br9 s ILE 138 Cb -0.12 -3.00 -0.05 0.00 0.13 0.00 0.00 42.46 39.42 3br9 s ILE 138 CO 0.01 0.40 -0.14 -0.04 -1.91 0.00 0.00 174.94 173.26 3br9 s MET 139 N 1.04 1.29 -0.15 3.50 -1.94 0.04 -4.39 119.30 118.68 3br9 s MET 139 Ca 0.03 -1.55 -0.18 0.00 -1.71 0.00 0.00 55.69 52.28 3br9 s MET 139 Cb -0.14 -1.08 -0.04 0.00 2.01 0.00 0.00 34.83 35.58 3br9 s MET 139 CO 0.03 0.18 0.50 0.00 -0.01 0.00 0.00 175.02 175.72 3br9 s ALA 140 N -2.91 3.50 0.24 3.03 0.00 -1.26 -0.54 121.76 123.82 3br9 s ALA 140 Ca 0.21 -0.27 -0.30 0.00 0.00 0.00 0.00 51.96 51.60 3br9 s ALA 140 Cb -0.01 -2.73 -0.09 0.00 0.00 0.00 0.00 23.12 20.29 3br9 s ALA 140 CO 0.06 -0.19 1.35 0.15 0.00 0.00 0.00 175.76 177.13 3br9 s LYS 141 N 1.06 4.34 -0.58 0.00 1.02 0.85 -4.66 119.74 121.78 3br9 s LYS 141 Ca 0.26 2.17 -0.17 0.00 0.02 0.00 0.00 55.97 58.25 3br9 s LYS 141 Cb -0.15 -3.14 0.13 0.00 -0.52 0.00 0.00 37.83 34.14 3br9 s LYS 141 CO 0.10 -0.30 0.58 -0.80 -0.92 0.00 0.00 175.35 174.02 3br9 s ASN 142 N 0.20 6.23 0.22 2.83 0.02 -1.26 -4.23 114.94 118.94 3br9 s ASN 142 Ca 0.56 -1.76 0.10 0.00 -1.02 0.00 0.00 52.86 50.74 3br9 s ASN 142 Cb -0.39 -2.24 -0.05 0.00 0.02 0.00 0.00 41.25 38.60 3br9 s ASN 142 CO 0.42 -0.91 -0.19 -1.61 0.02 0.00 0.00 177.10 174.83 3br9 s GLU 143 N 1.82 1.45 -0.09 -0.60 2.02 -1.26 -4.86 118.70 117.19 3br9 s GLU 143 Ca 0.07 -1.59 -0.02 0.00 0.02 0.00 0.00 54.97 53.45 3br9 s GLU 143 Cb -0.27 -1.49 -0.03 0.00 0.10 0.00 0.00 34.13 32.44 3br9 s GLU 143 CO 0.03 0.29 0.00 0.08 0.02 0.00 0.00 175.26 175.68 3br9 s VAL 144 N -2.37 4.30 0.24 2.63 1.01 -1.26 -0.96 120.40 123.99 3br9 s VAL 144 Ca 0.23 -0.25 -0.07 0.00 0.00 0.00 0.00 61.98 61.89 3br9 s VAL 144 Cb -0.05 -2.81 -0.02 0.00 0.00 0.00 0.00 36.38 33.51 3br9 s VAL 144 CO 0.10 0.60 0.34 -0.36 0.00 0.00 0.00 175.10 175.78 3br9 s PHE 145 N -0.85 0.78 -0.11 5.22 0.08 -0.53 -4.77 117.98 117.79 3br9 s PHE 145 Ca 0.13 -1.06 -0.06 0.00 0.12 0.00 0.00 56.93 56.06 3br9 s PHE 145 Cb -0.11 -0.15 -0.04 0.00 -0.57 0.00 0.00 43.02 42.14 3br9 s PHE 145 CO 0.02 -0.86 0.10 0.00 -0.10 0.00 0.00 175.22 174.38 3br9 n VAL 147 N 2.04 2.97 -0.13 0.00 0.24 0.12 -4.97 118.33 118.60 3br9 n VAL 147 Ca -0.20 -0.50 -0.28 0.00 -2.04 0.00 0.00 64.34 61.32 3br9 n VAL 147 Cb 0.55 -1.47 -0.10 0.00 -1.47 0.00 0.00 33.84 31.35 3br9 n VAL 147 CO 0.00 0.00 0.00 1.67 -2.14 0.00 0.00 176.83 176.36 3br9 n GLN 148 N -0.32 0.56 -3.86 7.34 -0.06 -1.26 -5.05 117.38 114.74 3br9 n GLN 148 Ca 0.09 0.25 -0.35 0.00 -2.00 0.00 0.00 57.00 54.98 3br9 n GLN 148 Cb 0.42 -1.45 -0.14 0.00 -4.06 0.00 0.00 30.24 25.02 3br9 n GLN 148 CO 0.00 0.00 0.00 1.03 -0.20 0.00 0.00 177.06 177.89 3br9 s ARG 154 N -2.49 3.44 0.27 3.69 0.52 -1.26 -5.28 118.95 117.84 3br9 s ARG 154 Ca -0.37 -0.59 -0.30 0.00 -0.52 0.00 0.00 55.73 53.95 3br9 s ARG 154 Cb 0.14 -3.11 -0.09 0.00 0.52 0.00 0.00 34.95 32.41 3br9 s ARG 154 CO 0.47 -0.20 1.08 0.15 0.02 0.00 0.00 175.30 176.81 3br9 s LYS 155 N 1.52 4.67 0.73 3.54 1.02 -1.26 -5.05 119.74 124.91 3br9 s LYS 155 Ca 0.06 1.76 -0.12 0.00 0.02 0.00 0.00 55.97 57.69 3br9 s LYS 155 Cb -0.15 -3.20 0.03 0.00 -0.52 0.00 0.00 37.83 34.00 3br9 s LYS 155 CO -0.01 0.25 1.09 -1.25 -0.92 0.00 0.00 175.35 174.51 3br9 s PRO 156 N -1.39 2.52 0.28 -1.68 0.04 -1.26 -4.82 135.00 128.68 3br9 s PRO 156 Ca 0.44 1.17 -0.29 0.00 0.04 0.00 0.00 61.00 62.37 3br9 s PRO 156 Cb -0.31 -1.93 -0.14 0.00 0.04 0.00 0.00 34.50 32.16 3br9 s PRO 156 CO 0.40 -1.44 1.08 0.00 0.04 0.00 0.00 177.00 177.07 3br9 n ALA 157 N -3.18 -0.09 -1.65 8.56 0.00 -1.26 -4.94 120.51 117.96 3br9 n ALA 157 Ca 0.09 0.40 -0.31 0.00 0.00 0.00 0.00 53.44 53.61 3br9 n ALA 157 Cb 0.53 -2.06 0.03 0.00 0.00 0.00 0.00 19.45 17.95 3br9 n ALA 157 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.50 178.53 3br9 s ARG 158 N -1.35 3.18 -0.07 0.00 0.52 -1.26 -4.66 118.95 115.31 3br9 s ARG 158 Ca 0.61 0.98 -0.03 0.00 -0.52 0.00 0.00 55.73 56.77 3br9 s ARG 158 Cb -0.71 -2.02 -0.04 0.00 0.52 0.00 0.00 34.95 32.71 3br9 s ARG 158 CO 0.58 -0.91 0.07 -0.51 0.02 0.00 0.00 175.30 174.56 3br9 s LEU 159 N -5.17 3.94 -0.16 2.53 1.43 -1.26 -0.11 118.68 119.89 3br9 s LEU 159 Ca 0.59 0.25 0.01 0.00 -1.03 0.00 0.00 54.13 53.95 3br9 s LEU 159 Cb -0.14 -2.05 0.01 0.00 0.03 0.00 0.00 46.19 44.04 3br9 s LEU 159 CO 0.49 0.36 -0.18 -0.51 0.23 0.00 0.00 176.35 176.74 3br9 s ILE 160 N -1.03 2.35 -0.14 -0.59 1.10 0.30 -4.81 121.20 118.38 3br9 s ILE 160 Ca 0.17 -0.87 0.01 0.00 -0.51 0.00 0.00 60.65 59.45 3br9 s ILE 160 Cb -0.12 -1.98 -0.00 0.00 0.15 0.00 0.00 42.46 40.51 3br9 s ILE 160 CO 0.07 0.53 -0.17 -0.69 -2.11 0.00 0.00 174.94 172.56 3br9 s VAL 161 N 0.96 2.55 -0.05 4.00 1.01 -1.26 -0.78 120.40 126.83 3br9 s VAL 161 Ca -0.03 -0.82 -0.16 0.00 0.00 0.00 0.00 61.98 60.97 3br9 s VAL 161 Cb -0.15 -2.06 0.03 0.00 0.00 0.00 0.00 36.38 34.21 3br9 s VAL 161 CO -0.04 0.53 0.37 0.72 0.00 0.00 0.00 175.10 176.68 3br9 s PHE 162 N 0.72 -0.30 0.74 5.22 -0.71 -0.46 0.09 117.98 123.27 3br9 s PHE 162 Ca -0.08 0.58 -0.08 0.00 -1.04 0.00 0.00 56.93 56.31 3br9 s PHE 162 Cb -0.16 0.14 0.07 0.00 -1.21 0.00 0.00 43.02 41.87 3br9 s PHE 162 CO 0.01 -0.37 1.06 -1.25 -1.34 0.00 0.00 175.22 173.33 3br9 s PRO 163 N -0.90 2.05 0.71 1.99 0.04 -1.26 -0.55 135.00 137.07 3br9 s PRO 163 Ca -0.10 -0.24 -0.16 0.00 0.04 0.00 0.00 61.00 60.54 3br9 s PRO 163 Cb -0.04 -2.12 -0.01 0.00 0.04 0.00 0.00 34.50 32.37 3br9 s PRO 163 CO 0.04 -1.37 0.84 -3.47 0.04 0.00 0.00 177.00 173.07 3br9 n ASP 164 N -3.03 -0.00 -0.34 6.66 2.03 -1.26 -4.70 116.55 115.91 3br9 n ASP 164 Ca 0.09 0.66 0.20 0.00 0.52 0.00 0.00 54.79 56.26 3br9 n ASP 164 Cb 0.60 -1.35 0.44 0.00 -0.72 0.00 0.00 41.12 40.10 3br9 n ASP 164 CO 0.00 0.00 0.00 0.25 -1.92 0.00 0.00 177.20 175.53 3br9 h LEU 165 N -0.22 0.58 -0.75 -2.67 5.85 -1.81 -0.44 115.31 115.85 3br9 h LEU 165 Ca -0.47 0.12 -0.03 0.00 0.84 0.00 0.00 57.88 58.35 3br9 h LEU 165 Cb 1.34 0.04 -0.03 0.00 0.37 0.00 0.00 40.66 42.37 3br9 h LEU 165 CO 0.46 0.07 0.37 1.23 -0.34 0.00 0.00 178.44 180.23 3br9 h GLY 166 N 0.49 1.16 1.06 3.75 0.00 -1.95 -2.17 103.07 105.40 3br9 h GLY 166 Ca 0.64 -0.57 -0.09 0.00 0.00 0.00 0.00 47.33 47.32 3br9 h GLY 166 CO -0.43 0.54 0.02 -2.08 0.00 0.00 0.00 176.54 174.60 3br9 h VAL 167 N 1.06 1.26 -0.49 4.60 2.07 -1.45 -2.56 116.25 120.74 3br9 h VAL 167 Ca 0.26 -1.10 -0.03 0.00 0.82 0.00 0.00 66.70 66.64 3br9 h VAL 167 Cb 0.11 0.82 -0.02 0.00 -1.52 0.00 0.00 31.29 30.68 3br9 h VAL 167 CO -0.03 0.40 0.16 0.03 0.02 0.00 0.00 177.57 178.15 3br9 h ARG 168 N 0.91 0.72 -0.32 1.57 3.08 -0.98 0.34 114.38 119.69 3br9 h ARG 168 Ca 0.17 -0.12 -0.15 0.00 0.07 0.00 0.00 59.98 59.95 3br9 h ARG 168 Cb 0.52 -0.12 -0.01 0.00 0.08 0.00 0.00 29.97 30.44 3br9 h ARG 168 CO 0.03 0.62 -0.39 0.28 -1.07 0.00 0.00 179.97 179.43 3br9 h VAL 169 N 0.71 1.28 -0.89 2.04 2.07 -1.37 -1.83 116.25 118.25 3br9 h VAL 169 Ca 0.17 -1.57 -0.00 0.00 0.82 0.00 0.00 66.70 66.11 3br9 h VAL 169 Cb 0.20 1.46 -0.04 0.00 -1.52 0.00 0.00 31.29 31.38 3br9 h VAL 169 CO -0.01 0.51 0.54 0.00 0.02 0.00 0.00 177.57 178.63 3br9 h GLU 171 N 1.22 0.73 -0.44 0.00 5.08 -0.19 -1.79 114.58 119.19 3br9 h GLU 171 Ca 0.32 -0.04 0.00 0.00 -1.00 0.00 0.00 59.36 58.64 3br9 h GLU 171 Cb -0.05 -0.16 -0.02 0.00 0.50 0.00 0.00 28.75 29.01 3br9 h GLU 171 CO -0.06 0.48 0.28 0.87 -1.00 0.00 0.00 179.01 179.58 3br9 h LYS 172 N 0.75 0.59 -0.12 2.33 1.57 -0.61 0.30 116.57 121.40 3br9 h LYS 172 Ca 0.26 -0.05 0.02 0.00 -1.87 0.00 0.00 60.65 59.01 3br9 h LYS 172 Cb 0.04 -0.13 -0.02 0.00 0.08 0.00 0.00 32.23 32.19 3br9 h LYS 172 CO -0.11 0.42 -0.04 0.52 -0.57 0.00 0.00 179.45 179.67 3br9 h MET 173 N 0.59 -0.02 -0.13 3.15 2.86 -0.73 -0.33 114.93 120.32 3br9 h MET 173 Ca 0.16 0.00 -0.17 0.00 -2.06 0.00 0.00 59.70 57.63 3br9 h MET 173 Cb -0.03 0.00 -0.01 0.00 0.06 0.00 0.00 31.60 31.63 3br9 h MET 173 CO -0.03 -0.01 -0.63 0.00 1.06 0.00 0.00 176.91 177.30 3br9 h ALA 174 N 1.09 0.67 0.00 6.32 0.00 -1.12 -0.01 119.26 126.22 3br9 h ALA 174 Ca 0.06 -0.55 0.00 0.00 0.00 0.00 0.00 54.91 54.42 3br9 h ALA 174 Cb 0.11 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 17.83 3br9 h ALA 174 CO -0.13 0.72 -0.03 1.28 0.00 0.00 0.00 179.25 181.09 3br9 n LEU 175 N -3.91 0.00 -0.07 0.00 4.77 0.10 -4.76 117.00 113.14 3br9 n LEU 175 Ca -0.04 -0.22 -0.07 0.00 -0.03 0.00 0.00 56.01 55.65 3br9 n LEU 175 Cb 0.65 0.00 -0.01 0.00 -2.33 0.00 0.00 43.42 41.72 3br9 n LEU 175 CO 0.47 0.00 0.81 0.22 -1.33 0.00 0.00 177.39 177.57 3br9 h TYR 176 N 0.00 -0.14 -0.52 -1.77 3.20 -1.09 -0.34 116.97 116.30 3br9 h TYR 176 Ca 0.00 0.02 -0.01 0.00 3.14 0.00 0.00 58.73 61.89 3br9 h TYR 176 Cb 0.00 0.11 -0.03 0.00 1.54 0.00 0.00 36.73 38.35 3br9 h TYR 176 CO 0.00 -0.12 0.30 0.22 -1.64 0.00 0.00 178.16 176.93 3br9 h ASP 177 N -0.00 0.63 0.06 -2.11 3.58 -1.78 -1.47 116.42 115.32 3br9 h ASP 177 Ca 0.13 -0.04 -0.00 0.00 0.42 0.00 0.00 57.03 57.54 3br9 h ASP 177 Cb 0.20 -0.16 0.00 0.00 1.72 0.00 0.00 39.33 41.09 3br9 h ASP 177 CO -0.28 0.49 -0.03 0.58 -2.88 0.00 0.00 179.24 177.13 3br9 h VAL 178 N 0.72 1.08 0.00 2.25 2.07 -1.58 -1.38 116.25 119.42 3br9 h VAL 178 Ca 0.19 -0.47 0.00 0.00 0.82 0.00 0.00 66.70 67.24 3br9 h VAL 178 Cb -0.01 1.39 0.00 0.00 -1.52 0.00 0.00 31.29 31.15 3br9 h VAL 178 CO -0.03 0.12 0.00 1.33 0.02 0.00 0.00 177.57 179.00 3br9 n VAL 179 N -5.03 0.61 0.00 2.57 0.24 -0.24 -0.77 118.33 115.71 3br9 n VAL 179 Ca -0.08 0.06 -0.08 0.00 -2.04 0.00 0.00 64.34 62.20 3br9 n VAL 179 Cb 0.15 -0.82 -0.14 0.00 -1.47 0.00 0.00 33.84 31.57 3br9 n VAL 179 CO 0.00 0.00 0.00 0.28 -2.14 0.00 0.00 176.83 174.97 3br9 h SER 180 N 0.00 0.00 0.00 -1.34 0.02 -1.00 -3.42 113.55 107.80 3br9 h SER 180 Ca 0.00 -0.00 -0.18 0.00 -0.84 0.00 0.00 61.79 60.77 3br9 h SER 180 Cb 0.45 -0.00 -0.03 0.00 0.14 0.00 0.00 62.40 62.96 3br9 h SER 180 CO 0.00 1.00 -1.61 0.35 -1.14 0.00 0.00 176.83 175.43 3br9 n THR 181 N -3.13 0.61 -0.23 -2.27 -2.24 -0.54 -4.67 114.28 101.81 3br9 n THR 181 Ca -0.12 -0.18 0.03 0.00 -2.27 0.00 0.00 64.05 61.50 3br9 n THR 181 Cb 1.02 -1.36 0.14 0.00 -2.10 0.00 0.00 70.33 68.03 3br9 n THR 181 CO 0.00 0.00 0.00 0.25 -0.57 0.00 0.00 175.07 174.75 3br9 h LEU 182 N -0.25 -0.21 -0.70 3.22 6.46 -1.15 -3.03 115.31 119.64 3br9 h LEU 182 Ca -0.27 0.16 0.04 0.00 -0.12 0.00 0.00 57.88 57.69 3br9 h LEU 182 Cb 1.29 0.27 -0.05 0.00 -0.73 0.00 0.00 40.66 41.44 3br9 h LEU 182 CO -0.12 -0.11 0.43 -0.65 -0.62 0.00 0.00 178.44 177.37 3br9 h PRO 183 N 0.15 0.80 -0.18 5.25 0.11 -1.82 0.66 132.00 136.98 3br9 h PRO 183 Ca 0.37 -0.05 -0.10 0.00 0.11 0.00 0.00 66.00 66.33 3br9 h PRO 183 Cb 0.62 -0.18 -0.01 0.00 0.11 0.00 0.00 31.00 31.54 3br9 h PRO 183 CO -0.56 0.53 -0.33 0.37 -0.21 0.00 0.00 178.00 177.81 3br9 h GLN 184 N 0.82 0.37 -0.29 1.05 -0.00 -1.84 0.16 115.11 115.38 3br9 h GLN 184 Ca 0.29 -0.15 -0.11 0.00 -0.00 0.00 0.00 58.65 58.68 3br9 h GLN 184 Cb 0.06 -0.01 -0.01 0.00 0.00 0.00 0.00 27.48 27.52 3br9 h GLN 184 CO -0.12 0.66 -0.23 0.28 0.00 0.00 0.00 178.83 179.42 3br9 h VAL 185 N 0.32 1.30 -0.12 2.39 2.07 -1.13 0.07 116.25 121.14 3br9 h VAL 185 Ca 0.04 -1.37 -0.21 0.00 0.82 0.00 0.00 66.70 65.98 3br9 h VAL 185 Cb 0.74 1.53 0.01 0.00 -1.52 0.00 0.00 31.29 32.05 3br9 h VAL 185 CO 0.06 0.44 -0.73 0.58 0.02 0.00 0.00 177.57 177.94 3br9 h VAL 186 N 0.42 1.31 -0.01 2.57 2.07 -0.68 -3.34 116.25 118.58 3br9 h VAL 186 Ca 0.06 -1.96 0.00 0.00 0.82 0.00 0.00 66.70 65.61 3br9 h VAL 186 Cb 0.78 2.10 0.00 0.00 -1.52 0.00 0.00 31.29 32.65 3br9 h VAL 186 CO 0.06 0.61 -0.35 0.23 0.02 0.00 0.00 177.57 178.14 3br9 n MET 187 N -4.02 1.63 0.00 1.57 2.81 0.55 -4.89 117.12 114.76 3br9 n MET 187 Ca -0.08 -0.82 0.00 0.00 -1.81 0.00 0.00 57.70 54.99 3br9 n MET 187 Cb 0.72 -1.29 0.00 0.00 -0.71 0.00 0.00 33.22 31.94 3br9 n MET 187 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 3br9 n GLY 188 N 1.18 2.47 0.03 3.03 0.00 0.01 -1.43 105.19 110.48 3br9 n GLY 188 Ca 0.07 -0.23 0.08 0.00 0.00 0.00 0.00 46.02 45.94 3br9 n GLY 188 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 3br9 n SER 189 N 0.75 0.14 0.14 1.61 3.41 -1.26 -0.99 113.62 117.42 3br9 n SER 189 Ca 0.00 0.54 0.13 0.00 -0.26 0.00 0.00 58.87 59.27 3br9 n SER 189 Cb 0.00 -0.57 0.49 0.00 -0.26 0.00 0.00 64.21 63.87 3br9 n SER 189 CO 0.00 0.00 0.00 0.28 -0.16 0.00 0.00 175.04 175.16 3br9 h SER 190 N 0.00 0.00 -3.17 4.04 0.02 -1.40 -3.43 113.55 109.61 3br9 h SER 190 Ca 0.00 0.00 -0.55 0.00 -0.84 0.00 0.00 61.79 60.40 3br9 h SER 190 Cb 0.26 0.00 -0.07 0.00 0.14 0.00 0.00 62.40 62.73 3br9 h SER 190 CO 0.00 0.00 1.01 -0.47 -1.14 0.00 0.00 176.83 176.23 3br9 s TYR 191 N -3.30 2.54 0.32 3.45 5.04 -0.17 -0.75 117.35 124.49 3br9 s TYR 191 Ca 0.05 0.47 0.25 0.00 -2.44 0.00 0.00 57.07 55.40 3br9 s TYR 191 Cb 0.10 -4.47 1.22 0.00 0.35 0.00 0.00 41.96 39.16 3br9 s TYR 191 CO 0.45 -1.67 1.97 0.78 -1.34 0.00 0.00 175.55 175.75 3br9 h GLY 192 N 12.13 0.00 1.33 8.97 0.00 -0.89 -3.15 103.07 121.46 3br9 h GLY 192 Ca -0.25 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.08 3br9 h GLY 192 CO 1.17 0.00 -0.03 0.69 0.00 0.00 0.00 176.54 178.38 3br9 n PHE 193 N -3.59 0.00 1.15 5.60 3.72 -1.26 -2.39 117.46 120.69 3br9 n PHE 193 Ca -0.01 0.00 0.14 0.00 -0.05 0.00 0.00 57.45 57.53 3br9 n PHE 193 Cb 0.31 -0.22 0.65 0.00 -0.94 0.00 0.00 39.48 39.29 3br9 n PHE 193 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 3br9 n GLN 194 N -1.17 0.16 -3.82 -1.08 10.64 -1.19 -2.99 117.38 117.94 3br9 n GLN 194 Ca 0.16 -0.01 -0.35 0.00 -1.83 0.00 0.00 57.00 54.97 3br9 n GLN 194 Cb 0.23 -1.50 -0.08 0.00 -0.86 0.00 0.00 30.24 28.03 3br9 n GLN 194 CO 0.00 0.00 0.00 0.71 -1.83 0.00 0.00 177.06 175.94 3br9 s TYR 195 N -2.84 3.39 1.06 2.61 2.02 -1.01 -4.67 117.35 117.91 3br9 s TYR 195 Ca 0.19 0.29 -0.13 0.00 -0.37 0.00 0.00 57.07 57.06 3br9 s TYR 195 Cb 0.19 -2.11 0.22 0.00 -0.40 0.00 0.00 41.96 39.86 3br9 s TYR 195 CO 0.51 0.31 1.07 -1.54 -1.57 0.00 0.00 175.55 174.33 3br9 s SER 196 N 0.20 2.06 0.44 2.29 1.04 -1.26 -4.71 113.70 113.75 3br9 s SER 196 Ca 0.08 1.24 0.09 0.00 0.48 0.00 0.00 55.95 57.84 3br9 s SER 196 Cb -0.11 -1.94 0.96 0.00 0.10 0.00 0.00 66.02 65.03 3br9 s SER 196 CO -0.01 -3.49 2.08 -0.65 0.98 0.00 0.00 173.24 172.15 3br9 h PRO 197 N -2.14 0.41 0.10 4.02 0.11 -1.89 0.14 132.00 132.76 3br9 h PRO 197 Ca -0.57 -0.02 -0.24 0.00 0.11 0.00 0.00 66.00 65.28 3br9 h PRO 197 Cb 1.34 -0.09 0.02 0.00 0.11 0.00 0.00 31.00 32.38 3br9 h PRO 197 CO 0.56 0.27 -0.99 0.78 -0.21 0.00 0.00 178.00 178.41 3br9 h GLY 198 N 0.42 0.57 1.83 -0.55 0.00 -1.92 -1.46 103.07 101.96 3br9 h GLY 198 Ca 0.12 -1.18 -0.03 0.00 0.00 0.00 0.00 47.33 46.24 3br9 h GLY 198 CO -0.03 1.04 -0.06 1.46 0.00 0.00 0.00 176.54 178.95 3br9 h GLN 199 N 0.04 0.22 -0.64 4.80 4.20 -1.83 0.60 115.11 122.50 3br9 h GLN 199 Ca -0.15 -0.04 -0.07 0.00 0.06 0.00 0.00 58.65 58.45 3br9 h GLN 199 Cb 1.71 -0.04 -0.03 0.00 0.30 0.00 0.00 27.48 29.43 3br9 h GLN 199 CO 0.19 0.30 0.13 -0.09 -0.67 0.00 0.00 178.83 178.69 3br9 h ARG 200 N 0.21 1.02 -0.20 1.46 2.43 -0.42 -0.47 114.38 118.42 3br9 h ARG 200 Ca 0.05 -0.25 -0.05 0.00 -0.81 0.00 0.00 59.98 58.92 3br9 h ARG 200 Cb 0.26 -0.13 -0.01 0.00 -0.42 0.00 0.00 29.97 29.67 3br9 h ARG 200 CO 0.01 0.92 -0.07 0.28 -1.51 0.00 0.00 179.97 179.60 3br9 h VAL 201 N 0.97 1.30 -0.45 0.20 2.07 -0.36 -1.53 116.25 118.45 3br9 h VAL 201 Ca 0.20 -1.09 0.07 0.00 0.82 0.00 0.00 66.70 66.69 3br9 h VAL 201 Cb 0.38 1.60 -0.06 0.00 -1.52 0.00 0.00 31.29 31.69 3br9 h VAL 201 CO 0.01 0.33 0.12 -0.08 0.02 0.00 0.00 177.57 177.97 3br9 h GLU 202 N 0.11 0.27 -0.36 1.57 4.81 -0.74 0.18 114.58 120.42 3br9 h GLU 202 Ca 0.05 -0.02 -0.00 0.00 -0.13 0.00 0.00 59.36 59.26 3br9 h GLU 202 Cb 0.54 -0.06 -0.02 0.00 0.63 0.00 0.00 28.75 29.84 3br9 h GLU 202 CO 0.02 0.18 0.21 0.35 -0.73 0.00 0.00 179.01 179.04 3br9 h PHE 203 N 0.27 0.47 -0.35 0.92 3.57 -1.00 -0.55 116.94 120.28 3br9 h PHE 203 Ca 0.22 -0.00 -0.10 0.00 3.53 0.00 0.00 57.97 61.61 3br9 h PHE 203 Cb 0.25 -0.15 -0.01 0.00 2.79 0.00 0.00 35.95 38.82 3br9 h PHE 203 CO -0.18 0.35 -0.17 -0.07 -2.23 0.00 0.00 178.31 176.00 3br9 h LEU 204 N 0.46 0.76 -0.04 0.59 3.38 -0.77 -1.93 115.31 117.76 3br9 h LEU 204 Ca 0.13 -0.41 -0.00 0.00 0.09 0.00 0.00 57.88 57.68 3br9 h LEU 204 Cb 0.02 -0.21 -0.00 0.00 0.09 0.00 0.00 40.66 40.56 3br9 h LEU 204 CO -0.02 1.00 0.01 0.58 0.09 0.00 0.00 178.44 180.09 3br9 h VAL 205 N 0.52 1.21 -0.44 1.22 2.07 -0.58 -0.76 116.25 119.48 3br9 h VAL 205 Ca 0.08 -0.62 -0.02 0.00 0.82 0.00 0.00 66.70 66.95 3br9 h VAL 205 Cb 0.72 1.55 -0.02 0.00 -1.52 0.00 0.00 31.29 32.01 3br9 h VAL 205 CO 0.05 0.17 0.18 0.78 0.02 0.00 0.00 177.57 178.77 3br9 h ASN 206 N -0.17 0.57 -0.08 0.57 2.35 -1.12 -0.89 115.58 116.80 3br9 h ASN 206 Ca 0.01 -0.06 -0.21 0.00 -0.55 0.00 0.00 56.30 55.49 3br9 h ASN 206 Cb 0.26 -0.15 0.01 0.00 0.05 0.00 0.00 38.32 38.50 3br9 h ASN 206 CO 0.00 0.52 -0.79 0.74 -1.65 0.00 0.00 177.43 176.26 3br9 h THR 207 N 0.63 1.31 -0.74 2.81 2.02 -1.19 -0.39 112.91 117.36 3br9 h THR 207 Ca 0.15 -2.03 -0.03 0.00 0.77 0.00 0.00 66.41 65.27 3br9 h THR 207 Cb 0.13 2.21 -0.03 0.00 -1.74 0.00 0.00 68.15 68.71 3br9 h THR 207 CO -0.02 0.63 0.35 -0.25 0.37 0.00 0.00 175.52 176.61 3br9 h TRP 208 N 0.35 1.07 0.00 3.16 2.91 -1.02 -2.25 115.95 120.17 3br9 h TRP 208 Ca -0.07 -0.05 0.00 0.00 1.13 0.00 0.00 58.89 59.89 3br9 h TRP 208 Cb 1.43 -0.33 0.00 0.00 -0.51 0.00 0.00 29.16 29.75 3br9 h TRP 208 CO 0.10 0.79 0.00 1.63 -1.03 0.00 0.00 178.44 179.93 3br9 n LYS 209 N -4.40 0.14 0.00 2.65 5.02 -0.35 -2.71 118.16 118.51 3br9 n LYS 209 Ca 0.06 0.12 0.13 0.00 -2.02 0.00 0.00 58.31 56.60 3br9 n LYS 209 Cb 0.14 -1.66 0.45 0.00 -0.02 0.00 0.00 35.03 33.93 3br9 n LYS 209 CO 0.00 0.00 0.00 -1.13 -0.52 0.00 0.00 177.40 175.75 3br9 n SER 210 N -1.91 0.47 -4.86 4.39 3.41 -0.18 -4.81 113.62 110.13 3br9 n SER 210 Ca 0.06 -0.29 -0.37 0.00 -0.26 0.00 0.00 58.87 58.01 3br9 n SER 210 Cb 0.39 -0.02 -0.06 0.00 -0.26 0.00 0.00 64.21 64.26 3br9 n SER 210 CO 0.00 0.00 0.00 -0.54 -0.16 0.00 0.00 175.04 174.34 3br9 s LYS 211 N -2.77 3.68 0.04 4.33 -0.14 -1.10 -5.00 119.74 118.77 3br9 s LYS 211 Ca 0.19 0.14 -0.25 0.00 -1.36 0.00 0.00 55.97 54.69 3br9 s LYS 211 Cb 0.19 -3.20 -0.17 0.00 -1.68 0.00 0.00 37.83 32.97 3br9 s LYS 211 CO 0.57 0.73 1.51 0.87 -0.76 0.00 0.00 175.35 178.27 3br9 h LYS 212 N 4.78 -0.07 -2.96 1.68 1.57 -1.87 -3.36 116.57 116.33 3br9 h LYS 212 Ca -0.53 0.00 -0.61 0.00 -1.87 0.00 0.00 60.65 57.64 3br9 h LYS 212 Cb 1.22 0.02 -0.40 0.00 0.08 0.00 0.00 32.23 33.14 3br9 h LYS 212 CO 0.60 0.16 -0.72 -0.80 -0.57 0.00 0.00 179.45 178.13 3br9 s ASN 213 N -5.35 3.70 0.31 0.86 0.01 -1.26 -5.07 114.94 108.15 3br9 s ASN 213 Ca -0.14 -3.09 -0.29 0.00 -0.71 0.00 0.00 52.86 48.62 3br9 s ASN 213 Cb 0.04 -1.18 -0.10 0.00 0.41 0.00 0.00 41.25 40.41 3br9 s ASN 213 CO 0.65 -0.20 1.38 -2.16 -1.51 0.00 0.00 177.10 175.27 3br9 s PRO 214 N -0.29 4.29 0.00 -0.60 0.04 -1.26 0.99 135.00 138.18 3br9 s PRO 214 Ca 0.22 2.30 0.03 0.00 0.04 0.00 0.00 61.00 63.59 3br9 s PRO 214 Cb -0.14 -3.07 -0.01 0.00 0.04 0.00 0.00 34.50 31.32 3br9 s PRO 214 CO -0.08 -0.32 -0.09 1.41 0.04 0.00 0.00 177.00 177.96 3br9 s MET 215 N -1.36 0.71 0.05 4.56 1.75 0.01 -4.66 119.30 120.36 3br9 s MET 215 Ca 0.53 -0.41 0.01 0.00 -1.25 0.00 0.00 55.69 54.57 3br9 s MET 215 Cb -0.42 -0.67 -0.03 0.00 2.84 0.00 0.00 34.83 36.56 3br9 s MET 215 CO 0.51 0.18 -0.06 0.20 -0.65 0.00 0.00 175.02 175.20 3br9 s GLY 216 N -0.47 0.49 0.02 2.11 0.00 -0.35 -0.13 107.32 108.99 3br9 s GLY 216 Ca 0.02 -0.87 -0.14 0.00 0.00 0.00 0.00 44.72 43.72 3br9 s GLY 216 CO -0.00 -0.94 0.31 -0.11 0.00 0.00 0.00 173.10 172.35 3br9 s PHE 217 N -2.03 -0.14 0.05 1.90 -0.71 -0.59 -0.13 117.98 116.33 3br9 s PHE 217 Ca -0.06 0.10 -0.03 0.00 -1.04 0.00 0.00 56.93 55.90 3br9 s PHE 217 Cb -0.06 0.10 -0.05 0.00 -1.21 0.00 0.00 43.02 41.81 3br9 s PHE 217 CO -0.02 -0.46 0.25 -1.54 -1.34 0.00 0.00 175.22 172.12 3br9 s SER 218 N -1.75 6.42 -0.25 1.98 1.04 -1.26 -1.42 113.70 118.46 3br9 s SER 218 Ca -0.09 0.43 -0.03 0.00 0.48 0.00 0.00 55.95 56.75 3br9 s SER 218 Cb -0.03 -2.03 0.02 0.00 0.10 0.00 0.00 66.02 64.08 3br9 s SER 218 CO -0.00 0.19 -0.04 -0.47 0.98 0.00 0.00 173.24 173.90 3br9 s TYR 219 N -1.44 3.05 -0.45 5.02 5.04 -0.14 -4.58 117.35 123.84 3br9 s TYR 219 Ca 0.32 -1.37 -0.21 0.00 -2.44 0.00 0.00 57.07 53.37 3br9 s TYR 219 Cb -0.13 -2.09 0.03 0.00 0.35 0.00 0.00 41.96 40.12 3br9 s TYR 219 CO 0.22 -0.68 0.70 0.34 -1.34 0.00 0.00 175.55 174.79 3br9 s ASP 220 N 1.37 6.34 -0.01 4.32 2.15 -1.26 -4.09 116.67 125.50 3br9 s ASP 220 Ca 0.02 -0.31 -0.27 0.00 0.43 0.00 0.00 52.55 52.42 3br9 s ASP 220 Cb -0.16 -2.34 -0.04 0.00 -0.30 0.00 0.00 42.92 40.08 3br9 s ASP 220 CO -0.04 -0.85 0.86 -0.89 -0.17 0.00 0.00 175.17 174.09 3br9 s THR 221 N 3.00 4.89 -0.12 1.71 2.01 -1.26 0.09 115.64 125.96 3br9 s THR 221 Ca 0.25 1.81 -0.29 0.00 0.31 0.00 0.00 61.69 63.76 3br9 s THR 221 Cb -0.14 -4.20 -0.05 0.00 0.01 0.00 0.00 72.50 68.11 3br9 s THR 221 CO 0.20 0.22 1.87 -0.60 -0.69 0.00 0.00 174.62 175.62 3br9 s ARG 222 N 0.75 3.81 -0.78 4.92 3.52 0.44 -4.05 118.95 127.55 3br9 s ARG 222 Ca 0.45 2.11 -0.03 0.00 -0.13 0.00 0.00 55.73 58.14 3br9 s ARG 222 Cb -0.20 -4.14 0.00 0.00 -1.56 0.00 0.00 34.95 29.05 3br9 s ARG 222 CO 0.24 -1.31 0.62 0.00 -0.81 0.00 0.00 175.30 174.05 3br9 h PHE 224 N 0.03 -0.25 -0.74 0.00 3.57 -1.95 -1.79 116.94 115.81 3br9 h PHE 224 Ca -0.51 0.03 0.16 0.00 3.53 0.00 0.00 57.97 61.19 3br9 h PHE 224 Cb 1.32 0.15 -0.11 0.00 2.79 0.00 0.00 35.95 40.10 3br9 h PHE 224 CO 0.21 -0.17 0.15 -0.44 -2.23 0.00 0.00 178.31 175.83 3br9 h ASP 225 N -0.05 -0.05 0.49 0.41 5.19 -1.90 0.20 116.42 120.72 3br9 h ASP 225 Ca 0.15 0.15 -0.03 0.00 -0.62 0.00 0.00 57.03 56.68 3br9 h ASP 225 Cb 0.27 0.22 -0.00 0.00 0.18 0.00 0.00 39.33 40.00 3br9 h ASP 225 CO -0.33 -0.06 -0.15 0.28 -3.12 0.00 0.00 179.24 175.86 3br9 h SER 226 N 0.24 0.00 0.95 6.45 0.02 -1.62 -2.33 113.55 117.26 3br9 h SER 226 Ca 0.41 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.36 3br9 h SER 226 Cb 0.72 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.26 3br9 h SER 226 CO -0.53 0.15 -0.53 0.35 -1.14 0.00 0.00 176.83 175.12 3br9 n THR 227 N -3.59 0.39 -2.02 -2.27 -2.24 0.01 -4.75 114.28 99.81 3br9 n THR 227 Ca -0.01 -0.27 -0.42 0.00 -2.27 0.00 0.00 64.05 61.07 3br9 n THR 227 Cb 0.29 -0.19 -0.03 0.00 -2.10 0.00 0.00 70.33 68.30 3br9 n THR 227 CO 0.00 0.00 0.00 -0.69 -0.57 0.00 0.00 175.07 173.81 3br9 s VAL 228 N -3.16 3.41 0.39 2.28 1.01 -0.90 -4.76 120.40 118.68 3br9 s VAL 228 Ca 0.07 0.71 0.07 0.00 0.00 0.00 0.00 61.98 62.83 3br9 s VAL 228 Cb 0.13 -3.46 0.00 0.00 0.00 0.00 0.00 36.38 33.06 3br9 s VAL 228 CO 0.70 -0.03 0.54 0.42 0.00 0.00 0.00 175.10 176.74 3br9 s THR 229 N 3.18 3.39 0.22 3.92 -4.23 -1.26 -3.95 115.64 116.91 3br9 s THR 229 Ca 0.72 -0.98 -0.09 0.00 -1.18 0.00 0.00 61.69 60.16 3br9 s THR 229 Cb -0.35 -3.16 0.19 0.00 1.34 0.00 0.00 72.50 70.52 3br9 s THR 229 CO 0.30 -0.06 1.69 -0.08 -0.54 0.00 0.00 174.62 175.93 3br9 h GLU 230 N 0.71 0.23 -0.87 3.99 4.81 -1.84 -0.53 114.58 121.08 3br9 h GLU 230 Ca -0.42 -0.01 0.07 0.00 -0.13 0.00 0.00 59.36 58.86 3br9 h GLU 230 Cb 1.27 -0.05 -0.06 0.00 0.63 0.00 0.00 28.75 30.54 3br9 h GLU 230 CO 0.48 0.15 0.53 -0.97 -0.73 0.00 0.00 179.01 178.48 3br9 h ASN 231 N 0.23 0.83 -0.58 1.04 -1.24 -1.95 -0.12 115.58 113.78 3br9 h ASN 231 Ca 0.35 0.02 -0.03 0.00 0.71 0.00 0.00 56.30 57.35 3br9 h ASN 231 Cb 0.55 -0.15 -0.03 0.00 0.73 0.00 0.00 38.32 39.42 3br9 h ASN 231 CO -0.46 0.52 0.25 0.44 -1.29 0.00 0.00 177.43 176.88 3br9 h ASP 232 N 0.95 0.82 0.76 1.15 3.32 -1.52 0.17 116.42 122.08 3br9 h ASP 232 Ca 0.39 -0.11 -0.24 0.00 0.02 0.00 0.00 57.03 57.09 3br9 h ASP 232 Cb 0.22 -0.21 -0.01 0.00 0.22 0.00 0.00 39.33 39.54 3br9 h ASP 232 CO -0.19 0.74 -1.09 0.40 -1.72 0.00 0.00 179.24 177.38 3br9 h ILE 233 N 0.89 1.58 -0.32 0.35 2.04 -0.57 -1.56 117.51 119.93 3br9 h ILE 233 Ca 0.21 -3.12 -0.17 0.00 1.00 0.00 0.00 64.86 62.77 3br9 h ILE 233 Cb 0.17 2.83 -0.00 0.00 -0.74 0.00 0.00 36.82 39.08 3br9 h ILE 233 CO -0.02 0.90 -0.48 0.03 0.00 0.00 0.00 178.15 178.58 3br9 h ARG 234 N 0.05 0.88 -0.50 2.37 3.08 -0.83 -1.94 114.38 117.50 3br9 h ARG 234 Ca -0.07 -0.53 0.03 0.00 0.07 0.00 0.00 59.98 59.48 3br9 h ARG 234 Cb 1.82 0.05 -0.04 0.00 0.08 0.00 0.00 29.97 31.88 3br9 h ARG 234 CO 0.16 1.17 0.29 0.28 -1.07 0.00 0.00 179.97 180.80 3br9 h VAL 235 N 0.68 1.03 -0.12 2.04 2.07 -0.55 0.10 116.25 121.49 3br9 h VAL 235 Ca 0.03 -0.19 -0.10 0.00 0.82 0.00 0.00 66.70 67.25 3br9 h VAL 235 Cb 1.08 0.41 -0.01 0.00 -1.52 0.00 0.00 31.29 31.26 3br9 h VAL 235 CO 0.11 0.10 -0.38 1.05 0.02 0.00 0.00 177.57 178.47 3br9 h GLU 236 N 0.57 0.25 -0.48 1.57 4.11 -1.26 -0.58 114.58 118.76 3br9 h GLU 236 Ca 0.20 -0.11 0.01 0.00 0.07 0.00 0.00 59.36 59.53 3br9 h GLU 236 Cb 0.04 -0.01 -0.03 0.00 0.50 0.00 0.00 28.75 29.26 3br9 h GLU 236 CO -0.10 0.60 0.31 1.49 0.07 0.00 0.00 179.01 181.38 3br9 h GLU 237 N 0.21 0.62 0.00 1.06 4.81 -0.86 -0.59 114.58 119.83 3br9 h GLU 237 Ca 0.02 -0.04 -0.02 0.00 -0.13 0.00 0.00 59.36 59.19 3br9 h GLU 237 Cb 0.77 -0.14 -0.00 0.00 0.63 0.00 0.00 28.75 30.01 3br9 h GLU 237 CO 0.06 0.41 -0.10 0.66 -0.73 0.00 0.00 179.01 179.31 3br9 h SER 238 N 0.64 0.00 -0.19 1.04 4.64 0.36 0.90 113.55 120.94 3br9 h SER 238 Ca 0.18 0.00 -0.20 0.00 -0.47 0.00 0.00 61.79 61.30 3br9 h SER 238 Cb -0.06 0.00 0.01 0.00 -0.31 0.00 0.00 62.40 62.04 3br9 h SER 238 CO -0.05 0.10 -0.66 0.40 -0.87 0.00 0.00 176.83 175.76 3br9 h ILE 239 N 0.00 1.29 -0.24 0.95 2.04 -0.36 -2.98 117.51 118.21 3br9 h ILE 239 Ca -0.00 -1.86 0.00 0.00 1.00 0.00 0.00 64.86 64.00 3br9 h ILE 239 Cb 0.29 1.89 -0.01 0.00 -0.74 0.00 0.00 36.82 38.25 3br9 h ILE 239 CO 0.01 0.59 0.15 1.88 0.00 0.00 0.00 178.15 180.78 3br9 h TYR 240 N 0.52 0.31 0.00 1.37 0.05 0.55 -2.24 116.97 117.53 3br9 h TYR 240 Ca -0.03 0.00 0.00 0.00 0.05 0.00 0.00 58.73 58.76 3br9 h TYR 240 Cb 1.28 -0.10 0.00 0.00 1.01 0.00 0.00 36.73 38.92 3br9 h TYR 240 CO 0.09 0.22 0.00 1.04 -1.05 0.00 0.00 178.16 178.45 3br9 n GLN 241 N -4.91 0.14 0.25 4.88 1.13 0.11 -1.07 117.38 117.90 3br9 n GLN 241 Ca -0.03 0.57 0.12 0.00 -1.94 0.00 0.00 57.00 55.73 3br9 n GLN 241 Cb 0.04 -1.89 0.61 0.00 0.11 0.00 0.00 30.24 29.11 3br9 n GLN 241 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 3br9 s ASP 244 N -3.28 6.59 0.11 0.00 -1.08 0.92 -4.98 116.67 114.95 3br9 s ASP 244 Ca 0.62 0.36 0.05 0.00 -0.52 0.00 0.00 52.55 53.06 3br9 s ASP 244 Cb -0.18 -2.51 -0.04 0.00 -1.46 0.00 0.00 42.92 38.74 3br9 s ASP 244 CO 0.56 -1.15 -0.13 -0.76 0.52 0.00 0.00 175.17 174.22 3br9 s LEU 245 N 4.12 2.38 0.47 -1.34 1.43 -1.26 -1.77 118.68 122.70 3br9 s LEU 245 Ca 0.43 -0.78 -0.24 0.00 -1.03 0.00 0.00 54.13 52.51 3br9 s LEU 245 Cb -0.09 -0.48 -0.07 0.00 0.03 0.00 0.00 46.19 45.58 3br9 s LEU 245 CO 0.29 -0.16 1.30 0.00 0.23 0.00 0.00 176.35 178.01 3br9 s ALA 246 N -2.08 3.05 0.51 4.21 0.00 -1.26 -4.85 121.76 121.34 3br9 s ALA 246 Ca 0.06 1.22 0.18 0.00 0.00 0.00 0.00 51.96 53.43 3br9 s ALA 246 Cb -0.05 -3.50 1.26 0.00 0.00 0.00 0.00 23.12 20.83 3br9 s ALA 246 CO 0.02 -1.00 2.08 -1.35 0.00 0.00 0.00 175.76 175.51 3br9 h PRO 247 N 2.11 0.07 -0.01 0.00 0.11 -2.00 0.67 132.00 132.96 3br9 h PRO 247 Ca -0.50 -0.00 -0.16 0.00 0.11 0.00 0.00 66.00 65.44 3br9 h PRO 247 Cb 1.27 -0.02 -0.02 0.00 0.11 0.00 0.00 31.00 32.34 3br9 h PRO 247 CO 0.60 0.05 -0.75 0.93 -0.21 0.00 0.00 178.00 178.62 3br9 h GLU 248 N 0.08 0.10 -0.26 1.05 5.08 -1.99 -2.10 114.58 116.54 3br9 h GLU 248 Ca 0.11 -0.09 -0.03 0.00 -1.00 0.00 0.00 59.36 58.35 3br9 h GLU 248 Cb 0.36 0.02 -0.01 0.00 0.50 0.00 0.00 28.75 29.62 3br9 h GLU 248 CO -0.01 0.80 0.05 0.00 -1.00 0.00 0.00 179.01 178.85 3br9 h ALA 249 N 1.17 0.35 -0.61 3.43 0.00 -1.27 0.63 119.26 122.95 3br9 h ALA 249 Ca -0.02 -0.17 0.04 0.00 0.00 0.00 0.00 54.91 54.76 3br9 h ALA 249 Cb 1.31 -0.10 -0.05 0.00 0.00 0.00 0.00 17.79 18.96 3br9 h ALA 249 CO 0.11 0.02 0.35 0.00 0.00 0.00 0.00 179.25 179.72 3br9 h ARG 250 N 0.25 0.65 -0.08 0.00 3.08 -1.20 -0.80 114.38 116.29 3br9 h ARG 250 Ca 0.08 -0.04 -0.01 0.00 0.07 0.00 0.00 59.98 60.08 3br9 h ARG 250 Cb 0.31 -0.15 -0.00 0.00 0.08 0.00 0.00 29.97 30.21 3br9 h ARG 250 CO 0.00 0.43 -0.01 0.37 -1.07 0.00 0.00 179.97 179.70 3br9 h GLN 251 N 0.67 0.15 -0.23 0.04 5.75 -1.24 -1.43 115.11 118.83 3br9 h GLN 251 Ca 0.26 -0.05 -0.00 0.00 -0.15 0.00 0.00 58.65 58.71 3br9 h GLN 251 Cb 0.10 -0.01 -0.01 0.00 1.07 0.00 0.00 27.48 28.63 3br9 h GLN 251 CO -0.14 0.44 0.13 0.00 -2.65 0.00 0.00 178.83 176.60 3br9 h ALA 252 N 0.71 1.79 0.04 3.38 0.00 -0.53 -0.57 119.26 124.08 3br9 h ALA 252 Ca 0.02 -0.04 -0.20 0.00 0.00 0.00 0.00 54.91 54.69 3br9 h ALA 252 Cb 0.37 -0.10 0.02 0.00 0.00 0.00 0.00 17.79 18.09 3br9 h ALA 252 CO 0.01 0.18 -0.81 0.82 0.00 0.00 0.00 179.25 179.45 3br9 h ILE 253 N 0.32 1.39 -0.64 0.00 2.04 -1.03 0.98 117.51 120.57 3br9 h ILE 253 Ca 0.08 -2.23 0.03 0.00 1.00 0.00 0.00 64.86 63.74 3br9 h ILE 253 Cb 0.01 2.67 -0.04 0.00 -0.74 0.00 0.00 36.82 38.71 3br9 h ILE 253 CO -0.01 0.66 0.39 0.50 0.00 0.00 0.00 178.15 179.69 3br9 h LYS 254 N -0.00 0.74 -0.16 2.37 3.64 -0.91 0.09 116.57 122.34 3br9 h LYS 254 Ca -0.11 -0.04 -0.13 0.00 -1.27 0.00 0.00 60.65 59.10 3br9 h LYS 254 Cb 1.52 -0.17 0.00 0.00 -0.41 0.00 0.00 32.23 33.17 3br9 h LYS 254 CO 0.16 0.49 -0.40 1.03 -2.27 0.00 0.00 179.45 178.45 3br9 h SER 255 N 0.76 0.63 -0.72 4.20 0.87 -0.96 -0.47 113.55 117.86 3br9 h SER 255 Ca 0.26 -0.58 -0.04 0.00 -1.23 0.00 0.00 61.79 60.20 3br9 h SER 255 Cb 0.04 -0.18 -0.03 0.00 -0.44 0.00 0.00 62.40 61.79 3br9 h SER 255 CO -0.11 1.09 0.28 -0.07 -0.53 0.00 0.00 176.83 177.49 3br9 h LEU 256 N 0.19 1.01 0.27 2.23 3.38 -0.73 0.13 115.31 121.80 3br9 h LEU 256 Ca -0.01 -0.16 -0.01 0.00 0.09 0.00 0.00 57.88 57.80 3br9 h LEU 256 Cb 1.02 -0.26 0.00 0.00 0.09 0.00 0.00 40.66 41.51 3br9 h LEU 256 CO 0.09 0.90 -0.13 0.74 0.09 0.00 0.00 178.44 180.13 3br9 h THR 257 N 1.07 0.74 -0.30 0.22 2.02 -0.86 0.55 112.91 116.35 3br9 h THR 257 Ca 0.25 -0.03 -0.10 0.00 0.77 0.00 0.00 66.41 67.29 3br9 h THR 257 Cb 0.22 0.76 -0.01 0.00 -1.74 0.00 0.00 68.15 67.37 3br9 h THR 257 CO -0.02 0.01 -0.25 -0.33 0.37 0.00 0.00 175.52 175.30 3br9 h GLU 258 N -0.38 0.58 0.00 6.66 4.39 -0.90 -1.48 114.58 123.45 3br9 h GLU 258 Ca -0.04 -0.23 -0.16 0.00 0.34 0.00 0.00 59.36 59.27 3br9 h GLU 258 Cb 0.29 -0.03 -0.03 0.00 -0.10 0.00 0.00 28.75 28.88 3br9 h GLU 258 CO 0.06 0.78 -1.98 0.54 -1.16 0.00 0.00 179.01 177.25 3br9 n ARG 259 N -4.11 0.66 0.06 2.33 1.74 0.45 -4.71 116.66 113.08 3br9 n ARG 259 Ca -0.00 -0.04 0.00 0.00 -0.77 0.00 0.00 57.85 57.04 3br9 n ARG 259 Cb 0.42 -1.59 0.00 0.00 -1.02 0.00 0.00 32.46 30.27 3br9 n ARG 259 CO 0.00 0.00 0.00 -0.11 -1.52 0.00 0.00 177.63 176.00 3br9 n LEU 260 N -2.57 0.57 -0.14 0.55 7.94 0.16 -0.11 117.00 123.40 3br9 n LEU 260 Ca -0.15 0.19 -0.10 0.00 -1.11 0.00 0.00 56.01 54.84 3br9 n LEU 260 Cb 0.82 -0.09 -0.01 0.00 0.53 0.00 0.00 43.42 44.67 3br9 n LEU 260 CO 0.44 -0.62 0.86 1.88 -1.11 0.00 0.00 177.39 178.84 3br9 h TYR 261 N 0.00 0.69 0.00 1.96 0.05 -0.57 -2.17 116.97 116.93 3br9 h TYR 261 Ca 0.00 -0.09 -0.04 0.00 0.05 0.00 0.00 58.73 58.66 3br9 h TYR 261 Cb 0.17 -0.19 -0.01 0.00 1.01 0.00 0.00 36.73 37.71 3br9 h TYR 261 CO 0.00 0.66 -0.17 0.82 -1.05 0.00 0.00 178.16 178.42 3br9 h ILE 262 N 0.52 0.88 0.00 -2.88 2.04 -1.51 -3.41 117.51 113.15 3br9 h ILE 262 Ca 0.13 -0.65 0.00 0.00 1.00 0.00 0.00 64.86 65.34 3br9 h ILE 262 Cb 0.33 1.37 0.00 0.00 -0.74 0.00 0.00 36.82 37.78 3br9 h ILE 262 CO 0.00 0.17 0.00 0.61 0.00 0.00 0.00 178.15 178.93 3br9 n GLY 263 N -0.81 1.25 0.00 5.37 0.00 -0.81 -4.20 105.19 105.99 3br9 n GLY 263 Ca -0.02 -1.36 0.00 0.00 0.00 0.00 0.00 46.02 44.64 3br9 n GLY 263 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3br9 n GLY 264 N -1.27 1.83 3.77 -0.02 0.00 -0.45 -4.04 105.19 105.01 3br9 n GLY 264 Ca 0.00 -0.90 -0.33 0.00 0.00 0.00 0.00 46.02 44.79 3br9 n GLY 264 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 3br9 s PRO 265 N -2.00 2.72 -0.07 1.61 0.04 -1.26 -0.58 135.00 135.47 3br9 s PRO 265 Ca 0.00 1.38 0.05 0.00 0.04 0.00 0.00 61.00 62.47 3br9 s PRO 265 Cb 0.00 -1.94 -0.01 0.00 0.04 0.00 0.00 34.50 32.59 3br9 s PRO 265 CO 0.00 -1.31 -0.24 -0.51 0.04 0.00 0.00 177.00 174.98 3br9 s LEU 266 N -4.98 2.13 -0.04 -3.56 1.43 0.02 -3.05 118.68 110.63 3br9 s LEU 266 Ca 0.67 -0.50 0.03 0.00 -1.03 0.00 0.00 54.13 53.30 3br9 s LEU 266 Cb -0.20 -1.40 0.00 0.00 0.03 0.00 0.00 46.19 44.62 3br9 s LEU 266 CO 0.43 0.23 -0.12 -0.89 0.23 0.00 0.00 176.35 176.23 3br9 s THR 267 N -0.10 1.06 0.90 5.49 2.01 0.35 -0.12 115.64 125.24 3br9 s THR 267 Ca -0.05 -0.49 -0.13 0.00 0.31 0.00 0.00 61.69 61.33 3br9 s THR 267 Cb -0.14 -0.93 0.18 0.00 0.01 0.00 0.00 72.50 71.61 3br9 s THR 267 CO 0.04 0.32 1.25 0.54 -0.69 0.00 0.00 174.62 176.08 3br9 s ASN 268 N 0.24 3.44 0.52 3.53 2.20 -0.11 -1.08 114.94 123.68 3br9 s ASN 268 Ca -0.06 0.15 0.34 0.00 -0.94 0.00 0.00 52.86 52.36 3br9 s ASN 268 Cb -0.11 -0.29 1.51 0.00 -2.00 0.00 0.00 41.25 40.36 3br9 s ASN 268 CO 0.02 -2.51 2.01 0.77 -2.94 0.00 0.00 177.10 174.45 3br9 h SER 269 N -1.38 0.00 0.17 3.54 4.64 -1.77 -0.35 113.55 118.41 3br9 h SER 269 Ca -0.43 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.89 3br9 h SER 269 Cb 1.25 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.34 3br9 h SER 269 CO 0.40 0.00 -0.06 0.29 -0.87 0.00 0.00 176.83 176.58 3br9 n LYS 270 N -2.93 1.04 -0.66 4.77 5.02 -1.26 -4.95 118.16 119.19 3br9 n LYS 270 Ca 0.00 -0.40 0.00 0.00 -2.02 0.00 0.00 58.31 55.89 3br9 n LYS 270 Cb 0.24 -1.49 0.00 0.00 -0.02 0.00 0.00 35.03 33.76 3br9 n LYS 270 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 3br9 n GLY 271 N 1.19 0.77 3.84 0.72 0.00 -0.14 -5.06 105.19 106.51 3br9 n GLY 271 Ca 0.18 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.87 3br9 n GLY 271 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 3br9 s GLN 272 N -0.34 4.03 -0.11 1.61 -0.21 -1.26 -4.80 119.66 118.58 3br9 s GLN 272 Ca 0.00 1.00 -0.28 0.00 0.02 0.00 0.00 55.36 56.10 3br9 s GLN 272 Cb 0.00 -2.15 -0.02 0.00 1.00 0.00 0.00 33.01 31.85 3br9 s GLN 272 CO 0.00 -0.20 0.95 1.21 -2.12 0.00 0.00 175.29 175.13 3br9 s ASN 273 N -2.82 7.18 0.00 5.90 3.04 -1.26 -0.94 114.94 126.04 3br9 s ASN 273 Ca 0.60 1.45 0.22 0.00 0.04 0.00 0.00 52.86 55.16 3br9 s ASN 273 Cb -0.10 -2.53 -0.09 0.00 -1.54 0.00 0.00 41.25 36.99 3br9 s ASN 273 CO 0.26 -0.40 0.96 0.00 -3.04 0.00 0.00 177.10 174.88 3br9 n GLY 275 N 1.46 0.61 2.97 0.00 0.00 -1.23 -0.26 105.19 108.75 3br9 n GLY 275 Ca 0.03 -1.52 -0.12 0.00 0.00 0.00 0.00 46.02 44.41 3br9 n GLY 275 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 3br9 s TYR 276 N -3.72 -0.06 -0.10 1.61 5.04 0.23 -0.80 117.35 119.55 3br9 s TYR 276 Ca 0.00 0.16 -0.00 0.00 -2.44 0.00 0.00 57.07 54.78 3br9 s TYR 276 Cb 0.00 0.01 -0.03 0.00 0.35 0.00 0.00 41.96 42.29 3br9 s TYR 276 CO 0.00 -0.07 -0.07 0.50 -1.34 0.00 0.00 175.55 174.57 3br9 s ARG 277 N -0.16 3.09 -0.10 4.97 3.52 0.26 -0.78 118.95 129.74 3br9 s ARG 277 Ca -0.02 -0.56 0.13 0.00 -0.13 0.00 0.00 55.73 55.15 3br9 s ARG 277 Cb -0.02 -2.68 0.25 0.00 -1.56 0.00 0.00 34.95 30.94 3br9 s ARG 277 CO 0.00 0.48 1.13 0.54 -0.81 0.00 0.00 175.30 176.64 3br9 n ARG 278 N 2.77 0.85 -1.82 5.12 1.74 0.38 -1.34 116.66 124.37 3br9 n ARG 278 Ca -0.18 -2.23 0.00 0.00 -0.77 0.00 0.00 57.85 54.67 3br9 n ARG 278 Cb 0.53 -1.08 0.00 0.00 -1.02 0.00 0.00 32.46 30.88 3br9 n ARG 278 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 3br9 s ARG 280 N -1.72 4.26 0.00 0.00 6.06 -0.91 -4.51 118.95 122.13 3br9 s ARG 280 Ca 0.00 2.24 -0.26 0.00 -2.50 0.00 0.00 55.73 55.21 3br9 s ARG 280 Cb 0.00 -3.19 -0.04 0.00 0.06 0.00 0.00 34.95 31.78 3br9 s ARG 280 CO 0.00 -0.52 0.82 0.00 -2.50 0.00 0.00 175.30 173.10 3br9 s ALA 281 N 1.00 3.29 -1.35 6.12 0.00 -1.26 -4.74 121.76 124.82 3br9 s ALA 281 Ca 0.67 0.33 0.26 0.00 0.00 0.00 0.00 51.96 53.22 3br9 s ALA 281 Cb -0.41 -3.10 0.72 0.00 0.00 0.00 0.00 23.12 20.33 3br9 s ALA 281 CO 0.32 -0.08 1.55 -1.13 0.00 0.00 0.00 175.76 176.42 3br9 n SER 282 N 3.42 0.66 -2.20 0.00 3.41 -1.24 -3.95 113.62 113.72 3br9 n SER 282 Ca 0.01 -0.47 -0.29 0.00 -0.26 0.00 0.00 58.87 57.86 3br9 n SER 282 Cb 0.51 0.13 0.04 0.00 -0.26 0.00 0.00 64.21 64.62 3br9 n SER 282 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3br9 n GLY 283 N 1.42 6.17 3.41 5.00 0.00 0.11 -4.10 105.19 117.19 3br9 n GLY 283 Ca 0.09 -2.55 -0.21 0.00 0.00 0.00 0.00 46.02 43.35 3br9 n GLY 283 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 3br9 s VAL 284 N -4.77 2.04 0.27 1.61 -7.23 -1.13 -4.36 120.40 106.83 3br9 s VAL 284 Ca 0.55 -2.29 -0.01 0.00 -1.81 0.00 0.00 61.98 58.43 3br9 s VAL 284 Cb 0.44 -2.19 0.25 0.00 0.56 0.00 0.00 36.38 35.45 3br9 s VAL 284 CO -0.01 -0.49 1.82 0.25 -0.31 0.00 0.00 175.10 176.35 3br9 h LEU 285 N 2.41 0.79 -1.19 1.32 5.85 -1.79 -0.95 115.31 121.76 3br9 h LEU 285 Ca -0.39 0.05 0.00 0.00 0.84 0.00 0.00 57.88 58.38 3br9 h LEU 285 Cb 1.24 -0.10 0.00 0.00 0.37 0.00 0.00 40.66 42.17 3br9 h LEU 285 CO 0.62 0.42 0.00 0.35 -0.34 0.00 0.00 178.44 179.49 3br9 n THR 286 N -4.69 0.49 0.24 1.05 -2.24 -1.26 -4.26 114.28 103.61 3br9 n THR 286 Ca 0.17 -0.39 -0.15 0.00 -2.27 0.00 0.00 64.05 61.40 3br9 n THR 286 Cb 0.33 0.06 -0.08 0.00 -2.10 0.00 0.00 70.33 68.55 3br9 n THR 286 CO 0.00 0.00 0.00 0.74 -0.57 0.00 0.00 175.07 175.24 3br9 h THR 287 N 1.57 0.54 0.48 4.28 2.02 -1.43 0.34 112.91 120.72 3br9 h THR 287 Ca 0.00 0.00 -0.02 0.00 0.77 0.00 0.00 66.41 67.16 3br9 h THR 287 Cb 0.50 0.54 0.00 0.00 -1.74 0.00 0.00 68.15 67.46 3br9 h THR 287 CO 0.04 0.00 -0.23 -1.28 0.37 0.00 0.00 175.52 174.41 3br9 h SER 288 N -0.58 -0.55 -0.54 4.18 0.87 -1.74 -0.63 113.55 114.57 3br9 h SER 288 Ca -0.05 -0.05 0.01 0.00 -1.23 0.00 0.00 61.79 60.47 3br9 h SER 288 Cb 0.46 0.14 -0.03 0.00 -0.44 0.00 0.00 62.40 62.54 3br9 h SER 288 CO 0.06 -0.28 0.35 0.00 -0.53 0.00 0.00 176.83 176.44 3br9 h GLY 290 N 0.72 0.89 0.94 0.00 0.00 -0.34 0.42 103.07 105.70 3br9 h GLY 290 Ca 0.20 -0.58 -0.03 0.00 0.00 0.00 0.00 47.33 46.92 3br9 h GLY 290 CO -0.05 0.54 0.14 3.43 0.00 0.00 0.00 176.54 180.60 3br9 h ASN 291 N 0.71 0.55 0.42 0.19 2.35 -0.95 0.13 115.58 118.98 3br9 h ASN 291 Ca 0.16 -0.19 -0.02 0.00 -0.55 0.00 0.00 56.30 55.70 3br9 h ASN 291 Cb 0.37 -0.14 -0.00 0.00 0.05 0.00 0.00 38.32 38.59 3br9 h ASN 291 CO 0.01 0.59 -0.25 0.74 -1.65 0.00 0.00 177.43 176.87 3br9 h THR 292 N 0.49 0.49 -0.51 2.81 2.02 -0.79 0.69 112.91 118.10 3br9 h THR 292 Ca 0.13 0.00 0.08 0.00 0.77 0.00 0.00 66.41 67.39 3br9 h THR 292 Cb 0.22 0.49 -0.07 0.00 -1.74 0.00 0.00 68.15 67.05 3br9 h THR 292 CO -0.01 0.00 0.13 -0.07 0.37 0.00 0.00 175.52 175.94 3br9 h LEU 293 N -0.63 0.06 -0.55 2.58 3.38 -0.83 0.21 115.31 119.53 3br9 h LEU 293 Ca -0.05 0.08 -0.15 0.00 0.09 0.00 0.00 57.88 57.85 3br9 h LEU 293 Cb 0.51 0.10 -0.01 0.00 0.09 0.00 0.00 40.66 41.35 3br9 h LEU 293 CO 0.06 0.06 -0.44 0.74 0.09 0.00 0.00 178.44 178.95 3br9 h THR 294 N 0.28 1.30 -0.22 0.22 2.02 -0.36 0.40 112.91 116.54 3br9 h THR 294 Ca 0.25 -1.63 -0.06 0.00 0.77 0.00 0.00 66.41 65.74 3br9 h THR 294 Cb 0.32 1.57 -0.01 0.00 -1.74 0.00 0.00 68.15 68.30 3br9 h THR 294 CO -0.31 0.52 -0.09 0.00 0.37 0.00 0.00 175.52 176.01 3br9 h TYR 296 N 0.16 0.64 0.26 0.00 3.20 -0.34 -0.34 116.97 120.55 3br9 h TYR 296 Ca 0.05 0.02 -0.01 0.00 3.14 0.00 0.00 58.73 61.93 3br9 h TYR 296 Cb 0.58 -0.20 0.00 0.00 1.54 0.00 0.00 36.73 38.65 3br9 h TYR 296 CO 0.06 0.35 -0.12 1.25 -1.64 0.00 0.00 178.16 178.06 3br9 h LEU 297 N 0.67 -0.29 -0.42 2.82 5.85 0.08 0.16 115.31 124.18 3br9 h LEU 297 Ca 0.24 -0.08 -0.01 0.00 0.84 0.00 0.00 57.88 58.87 3br9 h LEU 297 Cb 0.05 0.08 -0.02 0.00 0.37 0.00 0.00 40.66 41.14 3br9 h LEU 297 CO -0.11 -0.10 0.23 0.11 -0.34 0.00 0.00 178.44 178.22 3br9 h LYS 298 N -0.48 0.58 -0.28 1.25 1.57 -1.17 -2.22 116.57 115.83 3br9 h LYS 298 Ca -0.04 -0.07 -0.07 0.00 -1.87 0.00 0.00 60.65 58.61 3br9 h LYS 298 Cb 0.36 -0.11 -0.01 0.00 0.08 0.00 0.00 32.23 32.55 3br9 h LYS 298 CO 0.06 0.47 -0.10 0.00 -0.57 0.00 0.00 179.45 179.30 3br9 h ALA 299 N 1.08 0.38 -0.79 3.86 0.00 -0.95 0.25 119.26 123.10 3br9 h ALA 299 Ca 0.15 -0.30 -0.01 0.00 0.00 0.00 0.00 54.91 54.75 3br9 h ALA 299 Cb 0.06 -0.10 -0.04 0.00 0.00 0.00 0.00 17.79 17.71 3br9 h ALA 299 CO -0.02 0.23 0.47 0.77 0.00 0.00 0.00 179.25 180.70 3br9 h SER 300 N 0.30 0.95 -0.50 0.00 0.02 -0.66 0.24 113.55 113.90 3br9 h SER 300 Ca 0.07 -0.07 -0.05 0.00 -0.84 0.00 0.00 61.79 60.90 3br9 h SER 300 Cb 0.60 -0.24 -0.03 0.00 0.14 0.00 0.00 62.40 62.87 3br9 h SER 300 CO 0.03 0.74 0.14 0.00 -1.14 0.00 0.00 176.83 176.60 3br9 h ALA 301 N 1.25 1.21 0.00 3.77 0.00 -1.20 -2.66 119.26 121.62 3br9 h ALA 301 Ca 0.28 -0.20 -0.08 0.00 0.00 0.00 0.00 54.91 54.90 3br9 h ALA 301 Cb -0.03 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 17.52 3br9 h ALA 301 CO -0.05 0.55 -0.40 0.00 0.00 0.00 0.00 179.25 179.34 3br9 h ALA 302 N 1.34 1.07 -0.45 0.00 0.00 0.84 -0.92 119.26 121.14 3br9 h ALA 302 Ca 0.18 -0.37 -0.13 0.00 0.00 0.00 0.00 54.91 54.59 3br9 h ALA 302 Cb 0.29 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 18.00 3br9 h ALA 302 CO -0.00 0.51 -0.24 0.00 0.00 0.00 0.00 179.25 179.51 3br9 h ARG 304 N 0.81 0.42 -0.78 0.00 3.08 -1.17 -0.45 114.38 116.29 3br9 h ARG 304 Ca 0.10 -0.15 0.13 0.00 0.07 0.00 0.00 59.98 60.13 3br9 h ARG 304 Cb 0.81 -0.03 -0.09 0.00 0.08 0.00 0.00 29.97 30.74 3br9 h ARG 304 CO 0.07 0.64 0.36 0.00 -1.07 0.00 0.00 179.97 179.96 3br9 h ALA 305 N 0.77 1.12 -0.01 0.04 0.00 -1.06 -1.35 119.26 118.77 3br9 h ALA 305 Ca 0.06 0.09 0.00 0.00 0.00 0.00 0.00 54.91 55.06 3br9 h ALA 305 Cb 0.47 0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.28 3br9 h ALA 305 CO 0.02 -0.14 -0.07 0.00 0.00 0.00 0.00 179.25 179.06 3br9 n ALA 306 N -2.46 2.73 -3.94 0.00 0.00 -0.47 -4.91 120.51 111.45 3br9 n ALA 306 Ca 0.15 -0.35 -0.32 0.00 0.00 0.00 0.00 53.44 52.92 3br9 n ALA 306 Cb 0.39 -1.27 -0.02 0.00 0.00 0.00 0.00 19.45 18.56 3br9 n ALA 306 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 3br9 n LYS 307 N -0.48 -3.44 -1.72 0.00 5.02 -0.28 -4.87 118.16 112.38 3br9 n LYS 307 Ca 0.18 0.41 -0.43 0.00 -2.02 0.00 0.00 58.31 56.45 3br9 n LYS 307 Cb 0.29 -5.15 -0.02 0.00 -0.02 0.00 0.00 35.03 30.13 3br9 n LYS 307 CO 0.00 0.00 0.00 1.28 -0.52 0.00 0.00 177.40 178.16 3br9 n LEU 308 N -4.20 3.99 -4.84 -0.35 4.32 -0.59 -4.96 117.00 110.36 3br9 n LEU 308 Ca 0.05 1.16 -0.37 0.00 -0.02 0.00 0.00 56.01 56.83 3br9 n LEU 308 Cb 0.50 -1.54 -0.06 0.00 -1.62 0.00 0.00 43.42 40.70 3br9 n LEU 308 CO 0.74 -0.09 -0.09 -1.10 -1.22 0.00 0.00 177.39 175.63 3br9 s GLN 309 N -0.84 3.69 -0.73 3.23 -1.52 -1.26 -4.55 119.66 117.68 3br9 s GLN 309 Ca 0.63 0.02 -0.02 0.00 -1.95 0.00 0.00 55.36 54.03 3br9 s GLN 309 Cb -0.54 -3.24 0.00 0.00 -0.22 0.00 0.00 33.01 29.02 3br9 s GLN 309 CO 0.52 0.67 0.55 -3.47 -0.25 0.00 0.00 175.29 173.32 3br9 n ASP 310 N 2.20 -4.39 -4.63 5.90 2.03 -1.26 -0.53 116.55 115.87 3br9 n ASP 310 Ca -0.17 -0.85 -0.35 0.00 0.52 0.00 0.00 54.79 53.93 3br9 n ASP 310 Cb 0.54 -1.45 -0.10 0.00 -0.72 0.00 0.00 41.12 39.39 3br9 n ASP 310 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 3br9 s THR 312 N 0.66 1.79 0.05 0.00 2.01 0.11 -4.97 115.64 115.28 3br9 s THR 312 Ca 0.05 -0.79 0.00 0.00 0.31 0.00 0.00 61.69 61.26 3br9 s THR 312 Cb -0.13 -1.62 -0.04 0.00 0.01 0.00 0.00 72.50 70.72 3br9 s THR 312 CO 0.01 0.50 0.16 -0.04 -0.69 0.00 0.00 174.62 174.56 3br9 s MET 313 N 1.12 3.26 -0.10 4.92 -1.94 -1.26 -0.26 119.30 125.04 3br9 s MET 313 Ca -0.02 -0.50 -0.01 0.00 -1.71 0.00 0.00 55.69 53.45 3br9 s MET 313 Cb -0.14 -2.95 0.03 0.00 2.01 0.00 0.00 34.83 33.78 3br9 s MET 313 CO -0.06 0.61 -0.01 -1.17 -0.01 0.00 0.00 175.02 174.38 3br9 s LEU 314 N -2.36 0.83 -0.09 -0.03 2.96 0.15 -4.17 118.68 115.97 3br9 s LEU 314 Ca 0.32 -0.26 0.03 0.00 -0.22 0.00 0.00 54.13 54.00 3br9 s LEU 314 Cb -0.13 -0.56 0.01 0.00 0.50 0.00 0.00 46.19 46.01 3br9 s LEU 314 CO 0.24 -0.20 -0.17 -0.69 -1.32 0.00 0.00 176.35 174.22 3br9 s VAL 315 N 1.89 1.55 -0.30 1.68 1.01 0.07 -0.89 120.40 125.42 3br9 s VAL 315 Ca 0.04 -0.71 0.00 0.00 0.00 0.00 0.00 61.98 61.31 3br9 s VAL 315 Cb -0.13 -1.39 0.09 0.00 0.00 0.00 0.00 36.38 34.95 3br9 s VAL 315 CO -0.06 0.45 0.06 0.20 0.00 0.00 0.00 175.10 175.75 3br9 s ASN 316 N 0.65 4.09 1.96 3.32 -0.87 0.31 -0.24 114.94 124.17 3br9 s ASN 316 Ca -0.14 -1.62 0.00 0.00 -1.57 0.00 0.00 52.86 49.53 3br9 s ASN 316 Cb -0.16 -1.06 0.00 0.00 -0.02 0.00 0.00 41.25 40.01 3br9 s ASN 316 CO 0.04 -0.37 0.00 0.61 -2.57 0.00 0.00 177.10 174.81 3br9 n GLY 317 N 4.70 3.90 0.11 0.66 0.00 -1.26 -0.79 105.19 112.51 3br9 n GLY 317 Ca -0.03 0.00 0.10 0.00 0.00 0.00 0.00 46.02 46.09 3br9 n GLY 317 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 3br9 n ASP 318 N 6.43 0.33 -4.57 1.61 5.75 -1.26 -3.92 116.55 120.92 3br9 n ASP 318 Ca 0.00 -1.46 -0.39 0.00 -0.01 0.00 0.00 54.79 52.92 3br9 n ASP 318 Cb 0.00 -0.02 -0.10 0.00 -1.03 0.00 0.00 41.12 39.97 3br9 n ASP 318 CO 0.00 0.00 0.00 -0.62 -0.11 0.00 0.00 177.20 176.47 3br9 s ASP 319 N -1.60 6.14 -0.07 -1.12 -1.08 0.03 -4.56 116.67 114.41 3br9 s ASP 319 Ca 0.29 -0.06 0.02 0.00 -0.52 0.00 0.00 52.55 52.29 3br9 s ASP 319 Cb 0.14 -2.17 0.01 0.00 -1.46 0.00 0.00 42.92 39.44 3br9 s ASP 319 CO 0.23 -0.20 -0.14 -0.22 0.52 0.00 0.00 175.17 175.36 3br9 s LEU 320 N 1.92 1.69 -0.01 -1.34 2.96 -1.26 -0.53 118.68 122.11 3br9 s LEU 320 Ca 0.11 -0.33 0.04 0.00 -0.22 0.00 0.00 54.13 53.73 3br9 s LEU 320 Cb -0.16 -0.90 -0.01 0.00 0.50 0.00 0.00 46.19 45.62 3br9 s LEU 320 CO 0.11 0.05 -0.14 0.54 -1.32 0.00 0.00 176.35 175.58 3br9 s VAL 321 N 0.65 1.13 -0.10 1.68 0.11 -0.07 -0.97 120.40 122.83 3br9 s VAL 321 Ca -0.15 -0.61 0.03 0.00 -2.93 0.00 0.00 61.98 58.33 3br9 s VAL 321 Cb -0.16 -0.94 0.01 0.00 -1.53 0.00 0.00 36.38 33.76 3br9 s VAL 321 CO 0.04 0.32 -0.20 -0.69 -3.33 0.00 0.00 175.10 171.24 3br9 s VAL 322 N -0.32 1.76 -0.10 2.04 1.01 -0.51 0.34 120.40 124.61 3br9 s VAL 322 Ca 0.05 -0.83 0.02 0.00 0.00 0.00 0.00 61.98 61.22 3br9 s VAL 322 Cb -0.06 -1.55 -0.01 0.00 0.00 0.00 0.00 36.38 34.76 3br9 s VAL 322 CO -0.00 0.49 -0.16 -0.63 0.00 0.00 0.00 175.10 174.80 3br9 s ILE 323 N 0.59 2.79 0.32 2.22 1.01 0.64 -1.54 121.20 127.23 3br9 s ILE 323 Ca -0.14 -0.77 -0.03 0.00 0.00 0.00 0.00 60.65 59.70 3br9 s ILE 323 Cb -0.17 -2.13 0.01 0.00 0.01 0.00 0.00 42.46 40.19 3br9 s ILE 323 CO 0.04 0.55 0.47 0.00 0.00 0.00 0.00 174.94 176.00 3br9 s GLU 325 N -2.63 4.42 0.55 0.00 0.41 0.31 -0.81 118.70 120.94 3br9 s GLU 325 Ca 0.24 1.32 -0.20 0.00 -0.41 0.00 0.00 54.97 55.92 3br9 s GLU 325 Cb -0.01 -3.54 -0.05 0.00 -1.78 0.00 0.00 34.13 28.75 3br9 s GLU 325 CO 0.18 -0.28 1.22 0.45 -0.49 0.00 0.00 175.26 176.34 3br9 s SER 326 N 1.08 5.48 -0.18 -0.19 0.15 0.28 -4.54 113.70 115.79 3br9 s SER 326 Ca 0.47 2.42 0.15 0.00 0.70 0.00 0.00 55.95 59.69 3br9 s SER 326 Cb -0.18 -2.60 0.37 0.00 -1.71 0.00 0.00 66.02 61.89 3br9 s SER 326 CO 0.18 -1.40 1.22 0.00 1.20 0.00 0.00 173.24 174.44 3br9 n ALA 327 N -1.21 2.99 0.00 5.45 0.00 -1.26 -4.88 120.51 121.61 3br9 n ALA 327 Ca 0.11 -2.90 0.00 0.00 0.00 0.00 0.00 53.44 50.65 3br9 n ALA 327 Cb 0.49 -0.42 0.00 0.00 0.00 0.00 0.00 19.45 19.52 3br9 n ALA 327 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3br9 n GLY 328 N -1.23 -0.65 0.33 0.00 0.00 -1.26 -4.28 105.19 98.09 3br9 n GLY 328 Ca 0.19 -1.59 0.03 0.00 0.00 0.00 0.00 46.02 44.64 3br9 n GLY 328 CO 0.00 0.00 0.00 -0.91 0.00 0.00 0.00 173.32 172.41 3br9 h THR 329 N 0.00 1.13 -0.10 2.61 1.35 -1.98 0.66 112.91 116.59 3br9 h THR 329 Ca 0.00 -0.25 -0.12 0.00 -0.55 0.00 0.00 66.41 65.49 3br9 h THR 329 Cb 0.00 0.33 0.01 0.00 -1.73 0.00 0.00 68.15 66.76 3br9 h THR 329 CO 0.00 0.13 -0.42 -0.61 -0.25 0.00 0.00 175.52 174.38 3br9 h GLN 330 N 0.74 0.45 -0.34 4.72 4.15 -2.00 -1.28 115.11 121.55 3br9 h GLN 330 Ca 0.21 -0.36 -0.13 0.00 0.77 0.00 0.00 58.65 59.14 3br9 h GLN 330 Cb -0.06 0.07 -0.01 0.00 0.21 0.00 0.00 27.48 27.69 3br9 h GLN 330 CO -0.05 0.99 -0.32 0.93 -1.93 0.00 0.00 178.83 178.45 3br9 h GLU 331 N 0.02 0.74 -0.59 1.69 4.39 -1.68 -2.31 114.58 116.83 3br9 h GLU 331 Ca -0.02 -0.34 -0.01 0.00 0.34 0.00 0.00 59.36 59.33 3br9 h GLU 331 Cb 1.06 -0.01 -0.03 0.00 -0.10 0.00 0.00 28.75 29.67 3br9 h GLU 331 CO 0.09 0.96 0.35 -0.44 -1.16 0.00 0.00 179.01 178.80 3br9 h ASP 332 N 0.63 0.72 -0.74 1.42 3.32 -0.83 0.57 116.42 121.51 3br9 h ASP 332 Ca 0.07 -0.07 -0.06 0.00 0.02 0.00 0.00 57.03 56.99 3br9 h ASP 332 Cb 0.85 -0.18 -0.03 0.00 0.22 0.00 0.00 39.33 40.18 3br9 h ASP 332 CO 0.07 0.58 0.24 0.00 -1.72 0.00 0.00 179.24 178.41 3br9 h ALA 333 N 1.17 1.02 -0.39 3.45 0.00 -1.05 -0.64 119.26 122.82 3br9 h ALA 333 Ca 0.21 -0.22 -0.14 0.00 0.00 0.00 0.00 54.91 54.76 3br9 h ALA 333 Cb -0.00 -0.29 -0.01 0.00 0.00 0.00 0.00 17.79 17.49 3br9 h ALA 333 CO -0.04 0.66 -0.31 0.00 0.00 0.00 0.00 179.25 179.56 3br9 h ALA 334 N 1.16 0.72 -0.39 0.00 0.00 -1.21 -1.73 119.26 117.81 3br9 h ALA 334 Ca 0.24 -0.42 0.00 0.00 0.00 0.00 0.00 54.91 54.73 3br9 h ALA 334 Cb 0.29 -0.14 -0.02 0.00 0.00 0.00 0.00 17.79 17.92 3br9 h ALA 334 CO -0.01 0.66 0.25 0.77 0.00 0.00 0.00 179.25 180.92 3br9 h SER 335 N 0.72 0.46 -0.05 0.00 0.02 -0.41 -2.02 113.55 112.26 3br9 h SER 335 Ca 0.08 -0.03 -0.11 0.00 -0.84 0.00 0.00 61.79 60.89 3br9 h SER 335 Cb 0.87 -0.11 -0.01 0.00 0.14 0.00 0.00 62.40 63.28 3br9 h SER 335 CO 0.08 0.35 -0.32 -0.07 -1.14 0.00 0.00 176.83 175.73 3br9 h LEU 336 N 0.52 0.53 -0.63 5.07 3.38 -0.87 0.11 115.31 123.43 3br9 h LEU 336 Ca 0.14 -0.20 0.03 0.00 0.09 0.00 0.00 57.88 57.94 3br9 h LEU 336 Cb -0.04 -0.15 -0.04 0.00 0.09 0.00 0.00 40.66 40.53 3br9 h LEU 336 CO -0.03 0.82 0.38 0.03 0.09 0.00 0.00 178.44 179.73 3br9 h ARG 337 N 0.45 0.72 -0.20 1.13 3.08 -1.12 0.27 114.38 118.71 3br9 h ARG 337 Ca 0.05 -0.04 -0.11 0.00 0.07 0.00 0.00 59.98 59.95 3br9 h ARG 337 Cb 0.77 -0.16 -0.00 0.00 0.08 0.00 0.00 29.97 30.66 3br9 h ARG 337 CO 0.06 0.48 -0.30 0.28 -1.07 0.00 0.00 179.97 179.42 3br9 h VAL 338 N 0.75 1.33 -0.74 2.04 2.07 -0.85 0.12 116.25 120.96 3br9 h VAL 338 Ca 0.26 -1.51 0.13 0.00 0.82 0.00 0.00 66.70 66.40 3br9 h VAL 338 Cb 0.04 1.82 -0.09 0.00 -1.52 0.00 0.00 31.29 31.54 3br9 h VAL 338 CO -0.11 0.46 0.31 0.15 0.02 0.00 0.00 177.57 178.40 3br9 h PHE 339 N 0.23 0.53 -0.27 1.57 3.57 -0.55 0.13 116.94 122.14 3br9 h PHE 339 Ca 0.02 0.03 -0.17 0.00 3.53 0.00 0.00 57.97 61.38 3br9 h PHE 339 Cb 0.88 -0.12 0.00 0.00 2.79 0.00 0.00 35.95 39.50 3br9 h PHE 339 CO 0.09 0.09 -0.50 1.15 -2.23 0.00 0.00 178.31 176.90 3br9 h THR 340 N 0.47 1.28 -0.77 4.41 2.02 -0.06 -0.59 112.91 119.68 3br9 h THR 340 Ca 0.40 -1.69 -0.03 0.00 0.77 0.00 0.00 66.41 65.86 3br9 h THR 340 Cb 0.58 1.67 -0.04 0.00 -1.74 0.00 0.00 68.15 68.63 3br9 h THR 340 CO -0.38 0.55 0.36 -0.33 0.37 0.00 0.00 175.52 176.09 3br9 h GLU 341 N 0.59 1.11 0.39 6.66 5.08 -0.35 0.15 114.58 128.22 3br9 h GLU 341 Ca 0.01 -0.17 -0.02 0.00 -1.00 0.00 0.00 59.36 58.19 3br9 h GLU 341 Cb 1.11 -0.20 0.00 0.00 0.50 0.00 0.00 28.75 30.17 3br9 h GLU 341 CO 0.11 0.87 -0.19 0.00 -1.00 0.00 0.00 179.01 178.81 3br9 h ALA 342 N 1.18 -0.52 -0.89 3.43 0.00 -0.49 0.14 119.26 122.12 3br9 h ALA 342 Ca 0.26 -0.17 0.24 0.00 0.00 0.00 0.00 54.91 55.24 3br9 h ALA 342 Cb 0.13 0.20 -0.15 0.00 0.00 0.00 0.00 17.79 17.97 3br9 h ALA 342 CO -0.03 -0.68 0.19 0.52 0.00 0.00 0.00 179.25 179.25 3br9 h MET 343 N -0.76 0.15 -0.24 0.00 2.86 -1.09 -0.76 114.93 115.09 3br9 h MET 343 Ca -0.05 -0.01 -0.04 0.00 -2.06 0.00 0.00 59.70 57.54 3br9 h MET 343 Cb 0.52 -0.03 -0.01 0.00 0.06 0.00 0.00 31.60 32.13 3br9 h MET 343 CO 0.09 0.10 0.01 1.15 1.06 0.00 0.00 176.91 179.31 3br9 h THR 344 N 0.16 1.25 -0.77 2.22 2.02 -0.23 0.86 112.91 118.42 3br9 h THR 344 Ca 0.55 -0.88 0.16 0.00 0.77 0.00 0.00 66.41 67.02 3br9 h THR 344 Cb 1.13 1.35 -0.05 0.00 -1.74 0.00 0.00 68.15 68.84 3br9 h THR 344 CO -0.70 0.27 0.51 0.03 0.37 0.00 0.00 175.52 176.00 3br9 h ARG 345 N 0.20 0.39 -0.20 6.66 3.08 -0.03 0.19 114.38 124.67 3br9 h ARG 345 Ca 0.07 -0.02 0.00 0.00 0.07 0.00 0.00 59.98 60.10 3br9 h ARG 345 Cb 0.40 -0.09 0.00 0.00 0.08 0.00 0.00 29.97 30.36 3br9 h ARG 345 CO 0.01 0.26 0.00 0.66 -1.07 0.00 0.00 179.97 179.83 3br9 n TYR 346 N -4.48 0.26 -2.55 3.04 4.01 -0.36 -0.53 117.16 116.56 3br9 n TYR 346 Ca 0.15 -0.13 -0.08 0.00 -0.16 0.00 0.00 57.90 57.68 3br9 n TYR 346 Cb 0.56 0.00 0.04 0.00 -0.31 0.00 0.00 39.34 39.63 3br9 n TYR 346 CO 0.00 0.00 0.00 0.45 -0.46 0.00 0.00 176.86 176.85 3br9 n SER 347 N 0.19 -3.26 -2.89 7.72 2.88 0.05 -4.89 113.62 113.42 3br9 n SER 347 Ca 0.13 -0.34 -0.12 0.00 -1.33 0.00 0.00 58.87 57.20 3br9 n SER 347 Cb 0.25 -2.88 0.04 0.00 -0.75 0.00 0.00 64.21 60.87 3br9 n SER 347 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 3br9 n ALA 348 N -2.48 0.81 -1.49 -1.46 0.00 0.21 -4.50 120.51 111.60 3br9 n ALA 348 Ca -0.09 -2.31 -0.32 0.00 0.00 0.00 0.00 53.44 50.72 3br9 n ALA 348 Cb 0.57 -1.04 0.05 0.00 0.00 0.00 0.00 19.45 19.03 3br9 n ALA 348 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.50 176.25 3br9 s PRO 349 N -1.03 2.79 0.58 0.00 0.04 -1.26 -4.10 135.00 132.02 3br9 s PRO 349 Ca 0.29 1.27 -0.16 0.00 0.04 0.00 0.00 61.00 62.44 3br9 s PRO 349 Cb 0.34 -1.96 -0.05 0.00 0.04 0.00 0.00 34.50 32.87 3br9 s PRO 349 CO -0.06 -1.24 1.04 -1.25 0.04 0.00 0.00 177.00 175.53 3br9 s PRO 350 N -4.35 3.46 0.00 0.56 0.04 -1.26 -0.42 135.00 133.03 3br9 s PRO 350 Ca 0.64 1.15 0.00 0.00 0.04 0.00 0.00 61.00 62.83 3br9 s PRO 350 Cb -0.18 -2.06 0.00 0.00 0.04 0.00 0.00 34.50 32.30 3br9 s PRO 350 CO 0.45 -0.69 0.00 0.41 0.04 0.00 0.00 177.00 177.21 3br9 n GLY 351 N -1.12 1.84 3.72 0.56 0.00 0.11 -3.91 105.19 106.39 3br9 n GLY 351 Ca 0.08 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.68 3br9 n GLY 351 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 3br9 s ASP 352 N -1.01 7.26 0.46 1.61 1.11 -1.26 -4.93 116.67 119.91 3br9 s ASP 352 Ca 0.00 1.85 -0.25 0.00 0.18 0.00 0.00 52.55 54.33 3br9 s ASP 352 Cb 0.00 -2.58 -0.08 0.00 1.07 0.00 0.00 42.92 41.33 3br9 s ASP 352 CO 0.00 -0.32 1.43 -2.16 1.18 0.00 0.00 175.17 175.29 3br9 s PRO 353 N 0.83 3.61 0.43 8.23 0.04 -1.26 -4.30 135.00 142.58 3br9 s PRO 353 Ca 0.54 2.41 -0.25 0.00 0.04 0.00 0.00 61.00 63.74 3br9 s PRO 353 Cb -0.25 -2.61 -0.08 0.00 0.04 0.00 0.00 34.50 31.60 3br9 s PRO 353 CO 0.29 -0.87 1.23 -1.25 0.04 0.00 0.00 177.00 176.44 3br9 s PRO 354 N -2.51 3.87 -0.06 0.56 0.04 -1.26 -4.99 135.00 130.65 3br9 s PRO 354 Ca 0.62 1.97 0.06 0.00 0.04 0.00 0.00 61.00 63.69 3br9 s PRO 354 Cb -0.44 -2.61 -0.01 0.00 0.04 0.00 0.00 34.50 31.49 3br9 s PRO 354 CO 0.56 -0.51 -0.25 -0.65 0.04 0.00 0.00 177.00 176.19 3br9 s GLN 355 N -2.42 2.56 0.34 4.56 -1.52 -1.26 -4.92 119.66 117.01 3br9 s GLN 355 Ca 0.60 -0.90 -0.28 0.00 -1.95 0.00 0.00 55.36 52.83 3br9 s GLN 355 Cb -0.34 -2.18 -0.10 0.00 -0.22 0.00 0.00 33.01 30.18 3br9 s GLN 355 CO 0.42 0.39 1.26 -1.25 -0.25 0.00 0.00 175.29 175.86 3br9 s PRO 356 N -0.18 4.30 0.14 2.91 0.04 -1.26 -4.55 135.00 136.40 3br9 s PRO 356 Ca -0.03 2.11 0.09 0.00 0.04 0.00 0.00 61.00 63.20 3br9 s PRO 356 Cb -0.14 -2.99 -0.04 0.00 0.04 0.00 0.00 34.50 31.37 3br9 s PRO 356 CO 0.04 -0.20 -0.20 -1.21 0.04 0.00 0.00 177.00 175.47 3br9 s GLU 357 N -1.88 1.23 0.00 4.56 0.41 0.82 -4.96 118.70 118.88 3br9 s GLU 357 Ca 0.50 -1.32 0.00 0.00 -0.41 0.00 0.00 54.97 53.75 3br9 s GLU 357 Cb -0.37 -1.39 0.00 0.00 -1.78 0.00 0.00 34.13 30.58 3br9 s GLU 357 CO 0.49 0.30 0.29 0.66 -0.49 0.00 0.00 175.26 176.51 3br9 n TYR 358 N 0.61 0.00 -4.07 1.61 4.01 -1.26 -1.21 117.16 116.85 3br9 n TYR 358 Ca -0.16 -0.00 -0.33 0.00 -0.16 0.00 0.00 57.90 57.25 3br9 n TYR 358 Cb 0.56 -0.00 -0.15 0.00 -0.31 0.00 0.00 39.34 39.43 3br9 n TYR 358 CO 0.00 0.00 0.00 0.34 -0.46 0.00 0.00 176.86 176.74 3br9 s ASP 359 N -0.00 3.66 0.30 7.72 2.15 -1.26 -4.95 116.67 124.29 3br9 s ASP 359 Ca 0.00 -0.82 0.06 0.00 0.43 0.00 0.00 52.55 52.22 3br9 s ASP 359 Cb 0.00 -1.54 0.79 0.00 -0.30 0.00 0.00 42.92 41.87 3br9 s ASP 359 CO 0.00 -0.06 1.71 0.25 -0.17 0.00 0.00 175.17 176.90 3br9 h LEU 360 N 7.93 0.45 -0.11 -1.34 5.85 -1.96 -0.35 115.31 125.77 3br9 h LEU 360 Ca -0.38 0.15 0.00 0.00 0.84 0.00 0.00 57.88 58.49 3br9 h LEU 360 Cb 1.12 0.10 0.00 0.00 0.37 0.00 0.00 40.66 42.25 3br9 h LEU 360 CO 0.59 0.03 0.00 -0.62 -0.34 0.00 0.00 178.44 178.10 3br9 n GLU 361 N -4.99 0.03 0.00 1.25 1.02 -1.26 -1.35 120.64 115.33 3br9 n GLU 361 Ca 0.24 0.31 0.10 0.00 -0.02 0.00 0.00 57.16 57.79 3br9 n GLU 361 Cb 0.70 -1.55 0.07 0.00 -0.02 0.00 0.00 31.44 30.63 3br9 n GLU 361 CO 0.00 0.00 0.00 1.28 1.18 0.00 0.00 177.13 179.59 3br9 n LEU 362 N -1.60 2.52 -4.63 -4.62 4.77 -0.14 -4.60 117.00 108.70 3br9 n LEU 362 Ca 0.03 -0.97 -0.42 0.00 -0.03 0.00 0.00 56.01 54.63 3br9 n LEU 362 Cb 0.15 0.00 -0.05 0.00 -2.33 0.00 0.00 43.42 41.19 3br9 n LEU 362 CO 0.12 0.44 0.58 -0.63 -1.33 0.00 0.00 177.39 176.57 3br9 s ILE 363 N -1.72 4.84 -0.22 -0.08 1.01 -0.46 -5.02 121.20 119.56 3br9 s ILE 363 Ca 0.22 1.32 -0.12 0.00 0.00 0.00 0.00 60.65 62.06 3br9 s ILE 363 Cb 0.16 -4.10 -0.05 0.00 0.01 0.00 0.00 42.46 38.49 3br9 s ILE 363 CO 0.28 -0.14 0.24 -0.89 0.00 0.00 0.00 174.94 174.44 3br9 s THR 364 N 2.84 5.31 -0.14 2.92 2.01 -1.26 -4.23 115.64 123.09 3br9 s THR 364 Ca 0.32 0.37 -0.12 0.00 0.31 0.00 0.00 61.69 62.57 3br9 s THR 364 Cb -0.15 -3.58 0.04 0.00 0.01 0.00 0.00 72.50 68.82 3br9 s THR 364 CO 0.10 0.32 0.37 -0.94 -0.69 0.00 0.00 174.62 173.78 3br9 s SER 365 N 0.97 -0.39 -1.54 3.53 1.04 0.20 -4.67 113.70 112.83 3br9 s SER 365 Ca 0.12 0.75 -0.11 0.00 0.48 0.00 0.00 55.95 57.19 3br9 s SER 365 Cb -0.14 0.74 0.08 0.00 0.10 0.00 0.00 66.02 66.81 3br9 s SER 365 CO 0.05 -0.14 0.74 0.00 0.98 0.00 0.00 173.24 174.88 3br9 n SER 367 N -2.83 -4.88 -4.16 0.00 7.64 -1.26 -4.93 113.62 103.20 3br9 n SER 367 Ca -0.07 0.44 -0.11 0.00 1.01 0.00 0.00 58.87 60.14 3br9 n SER 367 Cb 0.57 -4.35 -0.10 0.00 -1.01 0.00 0.00 64.21 59.32 3br9 n SER 367 CO 0.00 0.00 0.00 -0.44 -3.01 0.00 0.00 175.04 171.59 3br9 s SER 368 N -2.54 1.10 0.04 6.43 0.01 -0.83 -4.34 113.70 113.57 3br9 s SER 368 Ca 0.00 -0.95 0.00 0.00 1.31 0.00 0.00 55.95 56.31 3br9 s SER 368 Cb 0.00 0.09 -0.03 0.00 0.21 0.00 0.00 66.02 66.29 3br9 s SER 368 CO 0.00 -0.44 -0.04 0.54 0.41 0.00 0.00 173.24 173.71 3br9 s ASN 369 N -2.88 0.50 0.24 2.44 4.22 0.16 -0.63 114.94 119.00 3br9 s ASN 369 Ca 0.09 -0.65 -0.30 0.00 -2.14 0.00 0.00 52.86 49.87 3br9 s ASN 369 Cb 0.04 0.10 -0.09 0.00 1.28 0.00 0.00 41.25 42.58 3br9 s ASN 369 CO -0.04 -0.35 1.18 -0.69 -2.04 0.00 0.00 177.10 175.16 3br9 s VAL 370 N -2.08 3.39 0.31 3.54 1.01 -1.26 -1.25 120.40 124.05 3br9 s VAL 370 Ca -0.08 1.28 0.05 0.00 0.00 0.00 0.00 61.98 63.23 3br9 s VAL 370 Cb -0.05 -3.81 -0.03 0.00 0.00 0.00 0.00 36.38 32.48 3br9 s VAL 370 CO -0.03 0.26 0.23 -0.55 0.00 0.00 0.00 175.10 175.01 3br9 s SER 371 N -0.33 1.46 -0.02 3.32 0.15 0.10 -4.28 113.70 114.10 3br9 s SER 371 Ca 0.49 -1.68 0.04 0.00 0.70 0.00 0.00 55.95 55.51 3br9 s SER 371 Cb -0.34 0.51 -0.01 0.00 -1.71 0.00 0.00 66.02 64.48 3br9 s SER 371 CO 0.41 -1.00 -0.14 0.54 1.20 0.00 0.00 173.24 174.25 3br9 s VAL 372 N -3.57 1.10 0.00 4.45 0.11 -1.26 -0.79 120.40 120.44 3br9 s VAL 372 Ca 0.39 -0.57 0.00 0.00 -2.93 0.00 0.00 61.98 58.87 3br9 s VAL 372 Cb 0.03 -0.94 0.00 0.00 -1.53 0.00 0.00 36.38 33.94 3br9 s VAL 372 CO 0.23 0.32 0.00 0.00 -3.33 0.00 0.00 175.10 172.32 3br9 n ALA 373 N 2.97 0.00 -2.53 1.54 0.00 -0.58 -3.05 120.51 118.87 3br9 n ALA 373 Ca -0.16 0.00 -0.24 0.00 0.00 0.00 0.00 53.44 53.04 3br9 n ALA 373 Cb 0.54 0.00 -0.14 0.00 0.00 0.00 0.00 19.45 19.85 3br9 n ALA 373 CO 0.00 0.00 0.00 -1.01 0.00 0.00 0.00 177.50 176.49 3br9 s HIS 374 N -1.81 1.59 0.52 0.00 3.76 0.12 -0.65 115.29 118.81 3br9 s HIS 374 Ca 0.00 -0.34 -0.08 0.00 -0.15 0.00 0.00 55.06 54.49 3br9 s HIS 374 Cb 0.00 -0.97 0.12 0.00 1.11 0.00 0.00 32.58 32.84 3br9 s HIS 374 CO 0.00 0.04 0.70 -0.40 -0.85 0.00 0.00 174.74 174.23 3br9 n ASP 375 N 2.12 0.17 -0.28 1.40 3.85 -0.38 -0.69 116.55 122.73 3br9 n ASP 375 Ca -0.17 -1.33 -0.03 0.00 -0.71 0.00 0.00 54.79 52.56 3br9 n ASP 375 Cb 0.54 -0.53 0.08 0.00 -1.35 0.00 0.00 41.12 39.87 3br9 n ASP 375 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.20 176.19 3br9 h ALA 376 N -1.66 1.00 0.00 2.12 0.00 -1.89 -1.94 119.26 116.89 3br9 h ALA 376 Ca -0.23 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.64 3br9 h ALA 376 Cb 0.66 -0.28 0.00 0.00 0.00 0.00 0.00 17.79 18.16 3br9 h ALA 376 CO 0.17 0.34 0.13 0.77 0.00 0.00 0.00 179.25 180.66 3br9 h SER 377 N 1.00 0.00 0.00 0.00 0.02 -1.95 -3.45 113.55 109.17 3br9 h SER 377 Ca 0.30 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.25 3br9 h SER 377 Cb -0.04 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.50 3br9 h SER 377 CO -0.09 0.00 0.00 0.61 -1.14 0.00 0.00 176.83 176.21 3br9 n GLY 378 N -1.26 0.89 3.74 -3.77 0.00 -0.73 -5.04 105.19 99.02 3br9 n GLY 378 Ca -0.01 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.60 3br9 n GLY 378 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 3br9 s LYS 379 N -0.63 4.68 0.32 1.61 2.20 -1.26 -4.76 119.74 121.91 3br9 s LYS 379 Ca 0.00 1.63 -0.29 0.00 -0.36 0.00 0.00 55.97 56.95 3br9 s LYS 379 Cb 0.00 -3.28 -0.10 0.00 -1.51 0.00 0.00 37.83 32.94 3br9 s LYS 379 CO 0.00 0.23 1.28 1.03 -0.36 0.00 0.00 175.35 177.53 3br9 s ARG 380 N -0.69 4.40 -0.02 4.03 0.52 -1.26 -1.25 118.95 124.67 3br9 s ARG 380 Ca 0.46 2.15 0.03 0.00 -0.52 0.00 0.00 55.73 57.85 3br9 s ARG 380 Cb -0.28 -3.09 -0.00 0.00 0.52 0.00 0.00 34.95 32.10 3br9 s ARG 380 CO 0.34 -0.14 -0.09 0.54 0.02 0.00 0.00 175.30 175.98 3br9 s VAL 381 N -1.07 0.73 0.03 3.52 0.11 0.17 -4.86 120.40 119.03 3br9 s VAL 381 Ca 0.49 -0.36 -0.10 0.00 -2.93 0.00 0.00 61.98 59.08 3br9 s VAL 381 Cb -0.39 -0.64 -0.05 0.00 -1.53 0.00 0.00 36.38 33.77 3br9 s VAL 381 CO 0.50 0.22 0.35 -0.31 -3.33 0.00 0.00 175.10 172.53 3br9 s TYR 382 N 0.04 3.62 0.24 1.54 2.02 -1.26 -1.52 117.35 122.02 3br9 s TYR 382 Ca -0.00 0.76 -0.16 0.00 -0.37 0.00 0.00 57.07 57.29 3br9 s TYR 382 Cb -0.06 -2.13 0.01 0.00 -0.40 0.00 0.00 41.96 39.38 3br9 s TYR 382 CO 0.00 0.59 0.55 1.52 -1.57 0.00 0.00 175.55 176.64 3br9 s TYR 383 N -1.27 0.08 -0.19 2.71 1.13 0.03 -4.97 117.35 114.87 3br9 s TYR 383 Ca 0.28 -0.46 -0.10 0.00 -1.41 0.00 0.00 57.07 55.38 3br9 s TYR 383 Cb -0.14 0.38 -0.05 0.00 -1.10 0.00 0.00 41.96 41.05 3br9 s TYR 383 CO 0.15 -1.03 0.13 -1.17 -2.51 0.00 0.00 175.55 171.12 3br9 s LEU 384 N -2.95 4.21 0.37 -3.49 2.96 -1.26 0.02 118.68 118.54 3br9 s LEU 384 Ca 0.15 0.24 0.06 0.00 -0.22 0.00 0.00 54.13 54.37 3br9 s LEU 384 Cb -0.02 -2.08 -0.02 0.00 0.50 0.00 0.00 46.19 44.56 3br9 s LEU 384 CO 0.05 0.20 0.23 0.28 -1.32 0.00 0.00 176.35 175.78 3br9 s THR 385 N 0.26 0.20 0.25 3.68 -1.32 -0.38 -4.72 115.64 113.60 3br9 s THR 385 Ca 0.08 -2.00 -0.19 0.00 -1.21 0.00 0.00 61.69 58.37 3br9 s THR 385 Cb -0.11 -2.41 0.02 0.00 -1.51 0.00 0.00 72.50 68.50 3br9 s THR 385 CO -0.02 0.00 0.63 0.00 -2.21 0.00 0.00 174.62 173.02 3br9 s ARG 386 N -3.50 1.62 0.21 7.08 1.70 -1.26 -0.67 118.95 124.12 3br9 s ARG 386 Ca 0.33 -0.96 -0.32 0.00 -0.47 0.00 0.00 55.73 54.32 3br9 s ARG 386 Cb 0.02 0.57 -0.12 0.00 -0.57 0.00 0.00 34.95 34.85 3br9 s ARG 386 CO 0.23 -0.72 1.71 0.34 -1.08 0.00 0.00 175.30 175.79 3br9 s ASP 387 N -2.91 6.39 0.00 -2.89 -1.08 -1.26 -4.89 116.67 110.03 3br9 s ASP 387 Ca 0.12 2.86 0.16 0.00 -0.52 0.00 0.00 52.55 55.17 3br9 s ASP 387 Cb -0.04 -2.60 0.81 0.00 -1.46 0.00 0.00 42.92 39.63 3br9 s ASP 387 CO 0.03 -0.97 1.54 -0.81 0.52 0.00 0.00 175.17 175.49 3br9 n PRO 388 N 3.95 1.28 0.00 4.34 -0.04 -1.26 -4.42 135.00 138.85 3br9 n PRO 388 Ca 0.16 -0.42 -0.12 0.00 -0.04 0.00 0.00 63.50 63.08 3br9 n PRO 388 Cb 0.35 -1.28 -0.07 0.00 -0.04 0.00 0.00 33.50 32.46 3br9 n PRO 388 CO 0.00 0.00 0.00 1.15 -0.04 0.00 0.00 175.50 176.61 3br9 h THR 389 N 0.81 1.15 -0.22 0.52 2.02 -1.95 0.28 112.91 115.52 3br9 h THR 389 Ca 0.00 -0.45 -0.06 0.00 0.77 0.00 0.00 66.41 66.67 3br9 h THR 389 Cb 0.18 1.36 -0.01 0.00 -1.74 0.00 0.00 68.15 67.95 3br9 h THR 389 CO 0.00 0.13 -0.08 0.74 0.37 0.00 0.00 175.52 176.67 3br9 h THR 390 N -0.09 1.30 -0.85 3.16 2.02 -1.95 0.22 112.91 116.71 3br9 h THR 390 Ca 0.02 -1.12 0.18 0.00 0.77 0.00 0.00 66.41 66.26 3br9 h THR 390 Cb 0.19 1.58 -0.11 0.00 -1.74 0.00 0.00 68.15 68.06 3br9 h THR 390 CO -0.00 0.34 0.38 -0.65 0.37 0.00 0.00 175.52 175.96 3br9 h PRO 391 N 0.15 0.46 0.01 6.66 0.11 -1.79 -0.34 132.00 137.27 3br9 h PRO 391 Ca 0.05 -0.03 -0.24 0.00 0.11 0.00 0.00 66.00 65.89 3br9 h PRO 391 Cb 0.56 -0.10 0.02 0.00 0.11 0.00 0.00 31.00 31.58 3br9 h PRO 391 CO 0.03 0.31 -0.94 -0.07 -0.21 0.00 0.00 178.00 177.11 3br9 h LEU 392 N 0.48 0.80 -0.54 2.35 3.38 -0.75 0.21 115.31 121.25 3br9 h LEU 392 Ca 0.49 -0.76 0.11 0.00 0.09 0.00 0.00 57.88 57.81 3br9 h LEU 392 Cb 0.82 -0.25 -0.10 0.00 0.09 0.00 0.00 40.66 41.22 3br9 h LEU 392 CO -0.45 1.46 -0.16 0.00 0.09 0.00 0.00 178.44 179.38 3br9 h ALA 393 N 0.36 0.31 -0.28 1.53 0.00 -0.74 0.18 119.26 120.62 3br9 h ALA 393 Ca -0.12 0.20 -0.12 0.00 0.00 0.00 0.00 54.91 54.87 3br9 h ALA 393 Cb 1.62 0.45 -0.00 0.00 0.00 0.00 0.00 17.79 19.85 3br9 h ALA 393 CO 0.18 -0.47 -0.30 0.00 0.00 0.00 0.00 179.25 178.67 3br9 h ARG 394 N -0.03 0.69 -0.95 0.00 3.08 -0.89 -2.00 114.38 114.29 3br9 h ARG 394 Ca 0.26 -0.37 0.14 0.00 0.07 0.00 0.00 59.98 60.08 3br9 h ARG 394 Cb 0.42 0.02 -0.08 0.00 0.08 0.00 0.00 29.97 30.41 3br9 h ARG 394 CO -0.57 0.99 0.60 0.00 -1.07 0.00 0.00 179.97 179.92 3br9 h ALA 395 N 0.69 1.72 -0.28 0.04 0.00 -0.24 0.96 119.26 122.15 3br9 h ALA 395 Ca 0.04 0.03 -0.04 0.00 0.00 0.00 0.00 54.91 54.94 3br9 h ALA 395 Cb 0.87 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 18.51 3br9 h ALA 395 CO 0.07 0.02 0.01 0.00 0.00 0.00 0.00 179.25 179.35 3br9 h ALA 396 N 1.59 0.38 -0.83 0.00 0.00 -0.15 0.12 119.26 120.36 3br9 h ALA 396 Ca 0.48 -0.22 0.08 0.00 0.00 0.00 0.00 54.91 55.25 3br9 h ALA 396 Cb 0.68 -0.10 -0.07 0.00 0.00 0.00 0.00 17.79 18.30 3br9 h ALA 396 CO -0.25 0.11 0.50 2.35 0.00 0.00 0.00 179.25 181.96 3br9 h TRP 397 N 0.29 0.92 0.00 0.00 2.91 -0.60 -2.59 115.95 116.87 3br9 h TRP 397 Ca 0.08 0.03 0.00 0.00 1.13 0.00 0.00 58.89 60.13 3br9 h TRP 397 Cb 0.40 -0.29 0.00 0.00 -0.51 0.00 0.00 29.16 28.76 3br9 h TRP 397 CO 0.03 0.43 0.00 0.93 -1.03 0.00 0.00 178.44 178.80 3br9 h GLU 398 N 0.88 0.00 -0.03 2.65 5.08 -0.30 0.14 114.58 123.00 3br9 h GLU 398 Ca 0.38 0.00 -0.10 0.00 -1.00 0.00 0.00 59.36 58.64 3br9 h GLU 398 Cb 0.25 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.49 3br9 h GLU 398 CO -0.20 0.00 -0.45 1.15 -1.00 0.00 0.00 179.01 178.50 3br9 h THR 399 N 0.00 1.33 0.00 1.13 2.02 -0.36 -3.31 112.91 113.72 3br9 h THR 399 Ca 0.00 -1.58 0.00 0.00 0.77 0.00 0.00 66.41 65.60 3br9 h THR 399 Cb 0.70 1.82 0.00 0.00 -1.74 0.00 0.00 68.15 68.92 3br9 h THR 399 CO 0.00 0.46 -1.66 0.00 0.37 0.00 0.00 175.52 174.69 3br9 n ALA 400 N -2.46 2.56 -2.81 6.16 0.00 -0.92 -4.83 120.51 118.21 3br9 n ALA 400 Ca -0.02 -0.35 -0.23 0.00 0.00 0.00 0.00 53.44 52.85 3br9 n ALA 400 Cb 0.48 -0.50 -0.16 0.00 0.00 0.00 0.00 19.45 19.28 3br9 n ALA 400 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.50 178.53 3br9 s ARG 401 N -3.01 1.31 0.14 0.00 1.81 -0.01 -4.89 118.95 114.30 3br9 s ARG 401 Ca -0.05 -0.48 -0.30 0.00 -1.72 0.00 0.00 55.73 53.17 3br9 s ARG 401 Cb 0.09 -1.20 -0.07 0.00 -0.45 0.00 0.00 34.95 33.32 3br9 s ARG 401 CO 0.61 0.23 1.22 -1.01 -0.68 0.00 0.00 175.30 175.67 3br9 s HIS 402 N -0.06 3.41 0.11 -0.53 3.76 -1.26 -4.31 115.29 116.41 3br9 s HIS 402 Ca 0.00 1.33 0.06 0.00 -0.15 0.00 0.00 55.06 56.30 3br9 s HIS 402 Cb -0.08 -3.46 -0.04 0.00 1.11 0.00 0.00 32.58 30.11 3br9 s HIS 402 CO 0.01 -1.36 -0.14 0.95 -0.85 0.00 0.00 174.74 173.35 3br9 s THR 403 N 0.43 1.27 0.47 1.30 -4.23 -1.26 -5.04 115.64 108.58 3br9 s THR 403 Ca 0.56 -1.64 0.32 0.00 -1.18 0.00 0.00 61.69 59.76 3br9 s THR 403 Cb -0.32 -1.44 0.35 0.00 1.34 0.00 0.00 72.50 72.43 3br9 s THR 403 CO 0.33 -0.39 2.17 1.55 -0.54 0.00 0.00 174.62 177.74 3br9 h PRO 404 N 3.66 0.00 -4.10 3.99 0.13 -1.96 -3.42 132.00 130.31 3br9 h PRO 404 Ca -0.40 0.00 -0.40 0.00 -0.87 0.00 0.00 66.00 64.34 3br9 h PRO 404 Cb 1.19 0.00 -0.33 0.00 0.13 0.00 0.00 31.00 32.00 3br9 h PRO 404 CO 0.49 0.06 -0.77 0.08 -0.23 0.00 0.00 178.00 177.62 3br9 s VAL 405 N -4.21 0.52 -0.90 1.56 1.01 -1.26 -4.67 120.40 112.45 3br9 s VAL 405 Ca -0.03 -0.15 -0.12 0.00 0.00 0.00 0.00 61.98 61.68 3br9 s VAL 405 Cb 0.13 -0.53 0.23 0.00 0.00 0.00 0.00 36.38 36.21 3br9 s VAL 405 CO 0.53 0.21 0.84 0.20 0.00 0.00 0.00 175.10 176.89 3br9 s ASN 406 N 0.71 6.82 0.31 3.32 0.01 0.88 -4.86 114.94 122.13 3br9 s ASN 406 Ca -0.09 -2.97 0.04 0.00 -0.71 0.00 0.00 52.86 49.13 3br9 s ASN 406 Cb -0.12 -2.19 0.66 0.00 0.41 0.00 0.00 41.25 40.01 3br9 s ASN 406 CO 0.00 -0.48 1.85 0.77 -1.51 0.00 0.00 177.10 177.73 3br9 h SER 407 N 7.40 0.82 -0.77 -1.22 4.64 -1.94 0.43 113.55 122.92 3br9 h SER 407 Ca 0.12 0.05 0.12 0.00 -0.47 0.00 0.00 61.79 61.60 3br9 h SER 407 Cb 0.99 -0.12 -0.08 0.00 -0.31 0.00 0.00 62.40 62.88 3br9 h SER 407 CO 0.82 0.43 0.38 4.11 -0.87 0.00 0.00 176.83 181.70 3br9 h TRP 408 N 0.88 0.67 -0.14 4.77 5.08 -1.89 0.38 115.95 125.71 3br9 h TRP 408 Ca 0.48 0.03 -0.22 0.00 1.08 0.00 0.00 58.89 60.26 3br9 h TRP 408 Cb 0.58 -0.19 0.01 0.00 -3.00 0.00 0.00 29.16 26.56 3br9 h TRP 408 CO -0.00 0.20 -0.76 1.25 -1.28 0.00 0.00 178.44 177.85 3br9 h LEU 409 N 0.60 0.91 -0.64 0.11 5.85 -1.35 -0.14 115.31 120.65 3br9 h LEU 409 Ca 0.40 -0.64 0.04 0.00 0.84 0.00 0.00 57.88 58.52 3br9 h LEU 409 Cb 0.48 -0.27 -0.05 0.00 0.37 0.00 0.00 40.66 41.20 3br9 h LEU 409 CO -0.31 1.40 0.38 1.23 -0.34 0.00 0.00 178.44 180.80 3br9 h GLY 410 N 0.48 0.92 1.24 3.75 0.00 -0.68 -1.62 103.07 107.17 3br9 h GLY 410 Ca -0.06 -0.28 -0.12 0.00 0.00 0.00 0.00 47.33 46.88 3br9 h GLY 410 CO 0.16 0.21 -0.20 3.43 0.00 0.00 0.00 176.54 180.14 3br9 h ASN 411 N 0.73 0.89 -0.82 0.19 2.35 0.10 0.19 115.58 119.21 3br9 h ASN 411 Ca 0.27 -0.32 -0.04 0.00 -0.55 0.00 0.00 56.30 55.66 3br9 h ASN 411 Cb 0.08 -0.24 -0.04 0.00 0.05 0.00 0.00 38.32 38.17 3br9 h ASN 411 CO -0.13 1.06 0.36 0.40 -1.65 0.00 0.00 177.43 177.46 3br9 h ILE 412 N 0.76 1.26 -0.06 2.81 2.04 -0.82 0.37 117.51 123.86 3br9 h ILE 412 Ca 0.11 -0.78 -0.02 0.00 1.00 0.00 0.00 64.86 65.17 3br9 h ILE 412 Cb 0.74 0.25 -0.00 0.00 -0.74 0.00 0.00 36.82 37.07 3br9 h ILE 412 CO 0.06 0.32 -0.06 0.40 0.00 0.00 0.00 178.15 178.88 3br9 h ILE 413 N 1.17 1.36 0.00 -0.67 2.04 -0.61 -0.24 117.51 120.57 3br9 h ILE 413 Ca 0.28 -1.18 -0.11 0.00 1.00 0.00 0.00 64.86 64.84 3br9 h ILE 413 Cb 0.17 2.02 -0.02 0.00 -0.74 0.00 0.00 36.82 38.26 3br9 h ILE 413 CO -0.03 0.33 -0.54 0.24 0.00 0.00 0.00 178.15 178.15 3br9 h MET 414 N -0.28 0.00 0.00 2.37 2.86 -0.53 -3.29 114.93 116.05 3br9 h MET 414 Ca 0.01 0.00 -0.01 0.00 -2.06 0.00 0.00 59.70 57.64 3br9 h MET 414 Cb 0.55 0.00 -0.02 0.00 0.06 0.00 0.00 31.60 32.19 3br9 h MET 414 CO 0.01 0.54 -0.40 0.66 1.06 0.00 0.00 176.91 178.78 3br9 n TYR 415 N -3.28 0.00 -0.30 -0.22 4.01 0.13 -4.83 117.16 112.67 3br9 n TYR 415 Ca 0.01 -1.29 0.13 0.00 -0.16 0.00 0.00 57.90 56.60 3br9 n TYR 415 Cb 0.72 -0.21 0.28 0.00 -0.31 0.00 0.00 39.34 39.82 3br9 n TYR 415 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 3br9 h ALA 416 N 0.73 1.25 0.00 -0.72 0.00 -1.11 -0.36 119.26 119.04 3br9 h ALA 416 Ca -0.01 0.23 0.00 0.00 0.00 0.00 0.00 54.91 55.13 3br9 h ALA 416 Cb 1.06 0.34 0.00 0.00 0.00 0.00 0.00 17.79 19.19 3br9 h ALA 416 CO 0.01 -0.48 0.00 -2.30 0.00 0.00 0.00 179.25 176.48 3br9 n PRO 417 N -5.25 0.14 -1.73 0.00 -0.02 -1.26 -4.46 135.00 122.41 3br9 n PRO 417 Ca 0.21 0.33 -0.31 0.00 -2.02 0.00 0.00 63.50 61.70 3br9 n PRO 417 Cb 0.68 -1.74 0.03 0.00 -0.02 0.00 0.00 33.50 32.45 3br9 n PRO 417 CO 0.00 0.00 0.00 0.95 1.98 0.00 0.00 175.50 178.43 3br9 s THR 418 N -3.19 4.11 0.06 3.45 -4.23 -0.15 -4.89 115.64 110.81 3br9 s THR 418 Ca 0.06 0.75 -0.21 0.00 -1.18 0.00 0.00 61.69 61.11 3br9 s THR 418 Cb 0.10 -3.47 -0.12 0.00 1.34 0.00 0.00 72.50 70.35 3br9 s THR 418 CO 0.39 -0.83 1.51 0.25 -0.54 0.00 0.00 174.62 175.40 3br9 h LEU 419 N -0.38 0.25 -0.77 4.79 5.85 -1.88 -2.84 115.31 120.32 3br9 h LEU 419 Ca -0.44 -0.28 -0.13 0.00 0.84 0.00 0.00 57.88 57.87 3br9 h LEU 419 Cb 1.21 -0.07 -0.02 0.00 0.37 0.00 0.00 40.66 42.15 3br9 h LEU 419 CO 0.58 0.47 -0.61 4.11 -0.34 0.00 0.00 178.44 182.65 3br9 h TRP 420 N 0.02 0.03 -0.08 1.25 5.08 -1.93 -1.54 115.95 118.77 3br9 h TRP 420 Ca 0.04 -0.01 -0.24 0.00 1.08 0.00 0.00 58.89 59.76 3br9 h TRP 420 Cb 0.33 -0.01 0.01 0.00 -3.00 0.00 0.00 29.16 26.50 3br9 h TRP 420 CO 0.02 0.62 -0.90 0.00 -1.28 0.00 0.00 178.44 176.91 3br9 h ALA 421 N 1.37 0.25 -0.07 0.11 0.00 -1.79 -2.47 119.26 116.65 3br9 h ALA 421 Ca -0.01 -0.65 -0.03 0.00 0.00 0.00 0.00 54.91 54.23 3br9 h ALA 421 Cb 1.08 0.01 -0.00 0.00 0.00 0.00 0.00 17.79 18.88 3br9 h ALA 421 CO 0.08 0.69 -0.07 0.00 0.00 0.00 0.00 179.25 179.95 3br9 h ARG 422 N 0.46 0.18 0.03 0.00 3.08 -1.44 0.11 114.38 116.80 3br9 h ARG 422 Ca -0.09 -0.09 -0.26 0.00 0.07 0.00 0.00 59.98 59.61 3br9 h ARG 422 Cb 1.54 0.00 -0.03 0.00 0.08 0.00 0.00 29.97 31.56 3br9 h ARG 422 CO 0.18 0.61 -1.36 0.52 -1.07 0.00 0.00 179.97 178.85 3br9 h MET 423 N -0.25 0.06 0.00 0.04 2.86 -1.38 -3.34 114.93 112.93 3br9 h MET 423 Ca 0.01 -0.11 0.00 0.00 -2.06 0.00 0.00 59.70 57.55 3br9 h MET 423 Cb 0.58 0.04 0.00 0.00 0.06 0.00 0.00 31.60 32.28 3br9 h MET 423 CO 0.02 0.86 -0.60 -0.89 1.06 0.00 0.00 176.91 177.37 3br9 n ILE 424 N -3.28 1.20 0.25 -1.22 5.41 -0.95 -4.28 119.36 116.49 3br9 n ILE 424 Ca -0.10 0.24 -0.16 0.00 1.00 0.00 0.00 62.75 63.74 3br9 n ILE 424 Cb 1.00 -2.01 -0.08 0.00 -0.71 0.00 0.00 39.64 37.85 3br9 n ILE 424 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 176.55 176.48 3br9 h LEU 425 N -0.60 -0.60 -0.07 1.39 3.38 -1.29 0.11 115.31 117.63 3br9 h LEU 425 Ca 0.00 0.03 0.01 0.00 0.09 0.00 0.00 57.88 58.02 3br9 h LEU 425 Cb 0.60 0.17 -0.01 0.00 0.09 0.00 0.00 40.66 41.51 3br9 h LEU 425 CO 0.00 -0.39 -0.02 0.24 0.09 0.00 0.00 178.44 178.36 3br9 h MET 426 N -0.63 0.00 -0.01 1.13 2.86 -1.12 -0.90 114.93 116.27 3br9 h MET 426 Ca -0.05 -0.00 0.02 0.00 -2.06 0.00 0.00 59.70 57.61 3br9 h MET 426 Cb 0.51 -0.00 -0.02 0.00 0.06 0.00 0.00 31.60 32.15 3br9 h MET 426 CO 0.06 0.00 -0.09 1.15 1.06 0.00 0.00 176.91 179.09 3br9 h THR 427 N 0.00 0.78 0.11 2.22 2.02 -1.66 -0.33 112.91 116.05 3br9 h THR 427 Ca 0.04 0.00 -0.01 0.00 0.77 0.00 0.00 66.41 67.21 3br9 h THR 427 Cb 0.05 0.78 0.00 0.00 -1.74 0.00 0.00 68.15 67.24 3br9 h THR 427 CO -0.08 0.00 -0.05 -0.74 0.37 0.00 0.00 175.52 175.02 3br9 h HIS 428 N -0.15 -0.14 0.12 3.16 6.17 -0.86 -0.71 115.15 122.76 3br9 h HIS 428 Ca 0.04 -0.00 -0.28 0.00 0.71 0.00 0.00 60.37 60.83 3br9 h HIS 428 Cb 0.19 0.04 0.02 0.00 2.52 0.00 0.00 27.41 30.18 3br9 h HIS 428 CO -0.16 0.12 -1.22 0.74 0.71 0.00 0.00 177.93 178.12 3br9 h PHE 429 N -0.38 0.72 -0.80 5.26 0.04 -1.16 -0.32 116.94 120.29 3br9 h PHE 429 Ca -0.01 -0.48 0.01 0.00 2.80 0.00 0.00 57.97 60.29 3br9 h PHE 429 Cb 0.32 -0.05 -0.04 0.00 2.20 0.00 0.00 35.95 38.38 3br9 h PHE 429 CO 0.00 1.35 0.53 0.74 -0.60 0.00 0.00 178.31 180.33 3br9 h PHE 430 N 0.16 1.01 -0.16 -0.55 0.04 -1.13 0.11 116.94 116.42 3br9 h PHE 430 Ca -0.16 0.02 0.03 0.00 2.80 0.00 0.00 57.97 60.67 3br9 h PHE 430 Cb 1.91 -0.34 -0.03 0.00 2.20 0.00 0.00 35.95 39.69 3br9 h PHE 430 CO 0.09 0.63 -0.03 1.03 -0.60 0.00 0.00 178.31 179.43 3br9 h SER 431 N 1.08 -0.13 -0.09 2.17 0.87 -0.68 -0.27 113.55 116.51 3br9 h SER 431 Ca 0.30 0.05 -0.04 0.00 -1.23 0.00 0.00 61.79 60.86 3br9 h SER 431 Cb -0.12 0.09 -0.01 0.00 -0.44 0.00 0.00 62.40 61.92 3br9 h SER 431 CO -0.06 -0.04 -0.05 0.40 -0.53 0.00 0.00 176.83 176.54 3br9 h ILE 432 N 0.01 1.17 0.01 2.23 2.04 -0.13 -2.12 117.51 120.72 3br9 h ILE 432 Ca 0.08 -0.69 -0.27 0.00 1.00 0.00 0.00 64.86 64.98 3br9 h ILE 432 Cb 0.11 1.07 0.02 0.00 -0.74 0.00 0.00 36.82 37.28 3br9 h ILE 432 CO -0.16 0.23 -1.06 -0.07 0.00 0.00 0.00 178.15 177.09 3br9 h LEU 433 N 0.32 0.89 0.05 1.44 3.38 -0.31 -2.55 115.31 118.52 3br9 h LEU 433 Ca 0.07 -0.72 0.02 0.00 0.09 0.00 0.00 57.88 57.34 3br9 h LEU 433 Cb 0.31 -0.27 -0.04 0.00 0.09 0.00 0.00 40.66 40.75 3br9 h LEU 433 CO 0.01 1.52 -0.24 -0.07 0.09 0.00 0.00 178.44 179.75 3br9 h LEU 434 N 0.38 -0.70 -2.01 1.67 3.38 -0.88 0.13 115.31 117.28 3br9 h LEU 434 Ca -0.13 0.09 0.08 0.00 0.09 0.00 0.00 57.88 58.01 3br9 h LEU 434 Cb 1.71 0.28 -0.01 0.00 0.09 0.00 0.00 40.66 42.73 3br9 h LEU 434 CO 0.21 -0.32 0.20 0.00 0.09 0.00 0.00 178.44 178.62 3br9 h ALA 435 N 0.41 2.24 -0.50 1.53 0.00 -1.28 0.13 119.26 121.80 3br9 h ALA 435 Ca 0.05 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.95 3br9 h ALA 435 Cb 0.46 0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.27 3br9 h ALA 435 CO -0.18 -0.34 0.00 1.04 0.00 0.00 0.00 179.25 179.77 3br9 n GLN 436 N -4.43 2.55 -3.95 0.00 1.13 -0.97 -4.94 117.38 106.77 3br9 n GLN 436 Ca 0.04 -2.36 -0.26 0.00 -1.94 0.00 0.00 57.00 52.48 3br9 n GLN 436 Cb 0.36 -1.50 -0.08 0.00 0.11 0.00 0.00 30.24 29.13 3br9 n GLN 436 CO 0.00 0.00 0.00 0.39 -1.44 0.00 0.00 177.06 176.01 3br9 n GLU 437 N 1.42 -0.94 -0.49 -1.09 1.02 0.03 -4.82 120.64 115.78 3br9 n GLU 437 Ca 0.20 0.08 0.06 0.00 -0.02 0.00 0.00 57.16 57.48 3br9 n GLU 437 Cb 0.58 -2.94 0.24 0.00 -0.02 0.00 0.00 31.44 29.30 3br9 n GLU 437 CO 0.00 0.00 0.00 1.04 1.18 0.00 0.00 177.13 179.35 3br9 n GLN 438 N -3.82 2.66 -0.04 3.49 6.02 0.33 -4.66 117.38 121.35 3br9 n GLN 438 Ca -0.23 -2.89 0.15 0.00 -0.01 0.00 0.00 57.00 54.02 3br9 n GLN 438 Cb 0.54 -1.83 0.57 0.00 1.02 0.00 0.00 30.24 30.54 3br9 n GLN 438 CO 0.00 0.00 0.00 -0.07 -1.01 0.00 0.00 177.06 175.98 3br9 h LEU 439 N 1.57 0.23 -0.01 1.08 3.38 -1.88 -2.61 115.31 117.08 3br9 h LEU 439 Ca 0.04 0.01 0.00 0.00 0.09 0.00 0.00 57.88 58.02 3br9 h LEU 439 Cb 1.47 -0.04 0.00 0.00 0.09 0.00 0.00 40.66 42.18 3br9 h LEU 439 CO 0.25 0.14 -0.53 1.21 0.09 0.00 0.00 178.44 179.60 3br9 n GLU 440 N -4.45 0.02 -2.73 1.13 2.13 -1.26 -3.76 120.64 111.72 3br9 n GLU 440 Ca 0.09 -0.01 -0.42 0.00 0.66 0.00 0.00 57.16 57.48 3br9 n GLU 440 Cb 0.44 -1.50 -0.03 0.00 0.27 0.00 0.00 31.44 30.62 3br9 n GLU 440 CO 0.00 0.00 0.00 0.21 -0.41 0.00 0.00 177.13 176.93 3br9 s LYS 441 N -2.99 4.52 0.23 5.31 2.20 -0.98 -4.94 119.74 123.08 3br9 s LYS 441 Ca 0.11 1.37 -0.30 0.00 -0.36 0.00 0.00 55.97 56.80 3br9 s LYS 441 Cb 0.17 -3.48 -0.09 0.00 -1.51 0.00 0.00 37.83 32.93 3br9 s LYS 441 CO 0.71 -0.11 0.99 0.00 -0.36 0.00 0.00 175.35 176.58 3br9 s ALA 442 N 1.26 3.35 0.11 3.13 0.00 -1.26 -4.44 121.76 123.90 3br9 s ALA 442 Ca 0.50 0.70 0.10 0.00 0.00 0.00 0.00 51.96 53.26 3br9 s ALA 442 Cb -0.20 -3.26 -0.04 0.00 0.00 0.00 0.00 23.12 19.62 3br9 s ALA 442 CO 0.25 0.06 -0.24 -0.51 0.00 0.00 0.00 175.76 175.32 3br9 s LEU 443 N -1.05 2.42 -0.06 0.00 1.43 0.36 -4.83 118.68 116.95 3br9 s LEU 443 Ca 0.43 -0.65 -0.22 0.00 -1.03 0.00 0.00 54.13 52.66 3br9 s LEU 443 Cb -0.27 -1.34 -0.04 0.00 0.03 0.00 0.00 46.19 44.57 3br9 s LEU 443 CO 0.34 0.20 0.65 -1.81 0.23 0.00 0.00 176.35 175.95 3br9 s ASP 444 N -1.92 6.95 0.18 2.29 1.01 -1.26 0.10 116.67 124.02 3br9 s ASP 444 Ca 0.15 1.13 -0.01 0.00 0.71 0.00 0.00 52.55 54.54 3br9 s ASP 444 Cb -0.10 -2.38 -0.04 0.00 1.01 0.00 0.00 42.92 41.40 3br9 s ASP 444 CO 0.06 -0.05 0.09 0.00 0.21 0.00 0.00 175.17 175.49 3br9 s GLN 446 N -4.09 2.92 -0.09 0.00 -0.21 -1.26 -0.27 119.66 116.67 3br9 s GLN 446 Ca 0.32 -0.60 0.00 0.00 0.02 0.00 0.00 55.36 55.10 3br9 s GLN 446 Cb 0.07 -2.59 0.02 0.00 1.00 0.00 0.00 33.01 31.52 3br9 s GLN 446 CO 0.08 0.52 -0.07 0.42 -2.12 0.00 0.00 175.29 174.12 3br9 s ILE 447 N -0.44 0.88 -1.48 1.08 1.01 0.03 -4.78 121.20 117.49 3br9 s ILE 447 Ca 0.06 -0.24 -0.03 0.00 0.00 0.00 0.00 60.65 60.45 3br9 s ILE 447 Cb -0.12 -0.90 0.02 0.00 0.01 0.00 0.00 42.46 41.47 3br9 s ILE 447 CO 0.02 0.33 0.36 -1.22 0.00 0.00 0.00 174.94 174.43 3br9 n TYR 448 N 4.64 -1.56 -0.77 3.97 4.01 -1.26 -1.31 117.16 124.88 3br9 n TYR 448 Ca -0.15 0.72 0.00 0.00 -0.16 0.00 0.00 57.90 58.31 3br9 n TYR 448 Cb 0.50 -3.39 0.00 0.00 -0.31 0.00 0.00 39.34 36.14 3br9 n TYR 448 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 3br9 n GLY 449 N -2.04 1.16 3.67 2.72 0.00 -1.26 -0.77 105.19 108.67 3br9 n GLY 449 Ca -0.26 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.44 3br9 n GLY 449 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3br9 s ALA 450 N -3.43 3.25 -0.14 4.61 0.00 -0.43 -3.82 121.76 121.79 3br9 s ALA 450 Ca 0.00 -0.99 -0.17 0.00 0.00 0.00 0.00 51.96 50.81 3br9 s ALA 450 Cb 0.00 -1.29 -0.04 0.00 0.00 0.00 0.00 23.12 21.79 3br9 s ALA 450 CO 0.00 0.65 0.41 0.00 0.00 0.00 0.00 175.76 176.82 3br9 s TYR 452 N 0.61 2.02 -0.25 0.00 2.02 0.63 0.04 117.35 122.43 3br9 s TYR 452 Ca 0.22 -0.39 -0.17 0.00 -0.37 0.00 0.00 57.07 56.37 3br9 s TYR 452 Cb -0.14 -1.23 -0.03 0.00 -0.40 0.00 0.00 41.96 40.16 3br9 s TYR 452 CO 0.08 0.07 0.46 0.45 -1.57 0.00 0.00 175.55 175.04 3br9 s SER 453 N -1.04 6.39 -0.03 2.29 0.15 -1.26 -0.69 113.70 119.51 3br9 s SER 453 Ca 0.09 0.46 0.06 0.00 0.70 0.00 0.00 55.95 57.26 3br9 s SER 453 Cb -0.09 -2.25 -0.01 0.00 -1.71 0.00 0.00 66.02 61.95 3br9 s SER 453 CO 0.01 -0.22 -0.21 -0.63 1.20 0.00 0.00 173.24 173.39 3br9 s ILE 454 N 2.06 1.66 -0.34 6.45 -1.09 0.29 -4.88 121.20 125.35 3br9 s ILE 454 Ca 0.19 -0.88 -0.15 0.00 -2.23 0.00 0.00 60.65 57.58 3br9 s ILE 454 Cb -0.16 -1.40 -0.01 0.00 -1.58 0.00 0.00 42.46 39.31 3br9 s ILE 454 CO 0.09 0.47 0.37 -1.61 -1.23 0.00 0.00 174.94 173.03 3br9 s GLU 455 N -0.29 3.58 0.36 2.79 2.02 -1.26 0.14 118.70 126.03 3br9 s GLU 455 Ca 0.03 -0.40 0.15 0.00 0.02 0.00 0.00 54.97 54.77 3br9 s GLU 455 Cb -0.10 -3.80 1.03 0.00 0.10 0.00 0.00 34.13 31.35 3br9 s GLU 455 CO 0.01 -0.52 1.73 -1.35 0.02 0.00 0.00 175.26 175.15 3br9 h PRO 456 N 8.46 0.44 0.00 0.39 0.11 -1.78 0.18 132.00 139.80 3br9 h PRO 456 Ca -0.30 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 65.79 3br9 h PRO 456 Cb 1.14 -0.10 0.00 0.00 0.11 0.00 0.00 31.00 32.15 3br9 h PRO 456 CO 0.70 0.29 0.10 -0.07 -0.21 0.00 0.00 178.00 178.80 3br9 h LEU 457 N 0.45 0.00 -0.35 2.35 3.38 -1.94 -0.79 115.31 118.41 3br9 h LEU 457 Ca 0.64 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.61 3br9 h LEU 457 Cb 1.46 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.21 3br9 h LEU 457 CO -0.41 0.00 -0.42 0.47 0.09 0.00 0.00 178.44 178.17 3br9 n ASP 458 N -2.51 0.97 -0.28 -0.43 10.43 0.63 -4.40 116.55 120.95 3br9 n ASP 458 Ca -0.02 -0.77 0.10 0.00 2.57 0.00 0.00 54.79 56.68 3br9 n ASP 458 Cb 0.14 0.28 0.25 0.00 1.84 0.00 0.00 41.12 43.63 3br9 n ASP 458 CO 0.00 0.00 0.00 -0.07 -1.07 0.00 0.00 177.20 176.06 3br9 h LEU 459 N 0.87 -0.00 -0.55 0.64 3.38 -1.24 0.10 115.31 118.51 3br9 h LEU 459 Ca 0.00 0.18 0.02 0.00 0.09 0.00 0.00 57.88 58.17 3br9 h LEU 459 Cb 0.53 0.25 -0.03 0.00 0.09 0.00 0.00 40.66 41.50 3br9 h LEU 459 CO 0.00 -0.12 0.35 -0.65 0.09 0.00 0.00 178.44 178.11 3br9 h PRO 460 N 0.23 0.68 -0.48 1.13 0.11 -1.81 0.20 132.00 132.06 3br9 h PRO 460 Ca 0.51 -0.04 -0.08 0.00 0.11 0.00 0.00 66.00 66.49 3br9 h PRO 460 Cb 0.97 -0.15 -0.02 0.00 0.11 0.00 0.00 31.00 31.91 3br9 h PRO 460 CO -0.61 0.45 -0.03 1.96 -0.21 0.00 0.00 178.00 179.56 3br9 h GLN 461 N 0.70 0.87 -0.28 1.05 7.50 -1.52 0.38 115.11 123.81 3br9 h GLN 461 Ca 0.21 -0.29 0.01 0.00 0.50 0.00 0.00 58.65 59.09 3br9 h GLN 461 Cb -0.03 -0.07 -0.02 0.00 0.05 0.00 0.00 27.48 27.41 3br9 h GLN 461 CO -0.07 0.92 0.15 0.82 -1.50 0.00 0.00 178.83 179.15 3br9 h ILE 462 N 0.72 1.02 -0.34 2.54 2.04 -0.56 0.06 117.51 122.98 3br9 h ILE 462 Ca 0.13 -0.11 -0.17 0.00 1.00 0.00 0.00 64.86 65.71 3br9 h ILE 462 Cb 0.55 0.67 -0.00 0.00 -0.74 0.00 0.00 36.82 37.29 3br9 h ILE 462 CO 0.03 0.06 -0.46 0.40 0.00 0.00 0.00 178.15 178.17 3br9 h ILE 463 N 0.32 1.27 -0.80 -0.67 2.04 -0.47 0.91 117.51 120.10 3br9 h ILE 463 Ca 0.11 -1.64 0.04 0.00 1.00 0.00 0.00 64.86 64.37 3br9 h ILE 463 Cb 0.01 1.49 -0.05 0.00 -0.74 0.00 0.00 36.82 37.53 3br9 h ILE 463 CO -0.06 0.54 0.51 -0.08 0.00 0.00 0.00 178.15 179.06 3br9 h GLU 464 N 0.73 0.95 -0.06 2.37 4.81 -0.80 0.17 114.58 122.74 3br9 h GLU 464 Ca 0.04 -0.06 -0.02 0.00 -0.13 0.00 0.00 59.36 59.19 3br9 h GLU 464 Cb 1.07 -0.21 -0.00 0.00 0.63 0.00 0.00 28.75 30.23 3br9 h GLU 464 CO 0.11 0.63 -0.04 0.00 -0.73 0.00 0.00 179.01 178.97 3br9 h ARG 465 N 0.98 0.13 -0.06 1.92 2.47 -0.57 0.61 114.38 119.86 3br9 h ARG 465 Ca 0.33 -0.06 -0.16 0.00 -1.26 0.00 0.00 59.98 58.83 3br9 h ARG 465 Cb 0.04 -0.00 -0.01 0.00 -1.65 0.00 0.00 29.97 28.35 3br9 h ARG 465 CO -0.12 0.55 -0.66 -0.07 0.56 0.00 0.00 179.97 180.23 3br9 h LEU 466 N -0.29 0.27 0.00 3.04 3.38 -0.74 -3.38 115.31 117.60 3br9 h LEU 466 Ca 0.01 -0.17 0.00 0.00 0.09 0.00 0.00 57.88 57.81 3br9 h LEU 466 Cb 0.52 -0.08 0.00 0.00 0.09 0.00 0.00 40.66 41.19 3br9 h LEU 466 CO 0.01 0.85 -0.96 1.41 0.09 0.00 0.00 178.44 179.84 3br9 n HIS 467 N -3.83 0.00 0.00 1.13 8.25 0.58 -4.62 115.22 116.72 3br9 n HIS 467 Ca -0.03 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.43 3br9 n HIS 467 Cb 0.65 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.76 3br9 n HIS 467 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 3br9 n GLY 468 N 2.42 -2.31 0.28 -1.41 0.00 0.20 -4.51 105.19 99.85 3br9 n GLY 468 Ca 0.00 -1.44 0.18 0.00 0.00 0.00 0.00 46.02 44.76 3br9 n GLY 468 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 3br9 h LEU 469 N 0.00 0.00 -1.55 0.99 3.38 -1.85 -0.81 115.31 115.47 3br9 h LEU 469 Ca 0.00 0.00 0.24 0.00 0.09 0.00 0.00 57.88 58.21 3br9 h LEU 469 Cb 0.00 0.00 -0.07 0.00 0.09 0.00 0.00 40.66 40.68 3br9 h LEU 469 CO 0.00 0.00 0.64 -1.28 0.09 0.00 0.00 178.44 177.89 3br9 h SER 470 N 0.00 0.35 0.67 -0.43 0.87 -1.95 -1.81 113.55 111.25 3br9 h SER 470 Ca 0.00 0.05 -0.01 0.00 -1.23 0.00 0.00 61.79 60.60 3br9 h SER 470 Cb 0.05 -0.01 -0.00 0.00 -0.44 0.00 0.00 62.40 62.00 3br9 h SER 470 CO 0.00 0.11 -0.04 0.00 -0.53 0.00 0.00 176.83 176.37 3br9 h ALA 471 N 1.59 1.05 -0.17 6.23 0.00 -1.37 -0.28 119.26 126.31 3br9 h ALA 471 Ca 0.51 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 55.38 3br9 h ALA 471 Cb 1.41 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 19.19 3br9 h ALA 471 CO -0.19 0.06 0.00 1.19 0.00 0.00 0.00 179.25 180.31 3br9 n PHE 472 N -3.22 0.21 -0.52 0.00 3.72 -0.68 -4.30 117.46 112.67 3br9 n PHE 472 Ca -0.01 -0.11 0.00 0.00 -0.05 0.00 0.00 57.45 57.29 3br9 n PHE 472 Cb 0.25 0.00 0.00 0.00 -0.94 0.00 0.00 39.48 38.79 3br9 n PHE 472 CO 0.00 0.00 0.00 0.43 -0.05 0.00 0.00 176.76 177.14 3br9 n SER 473 N 0.31 0.19 -4.72 4.37 7.64 -0.17 -4.50 113.62 116.74 3br9 n SER 473 Ca 0.16 -0.75 -0.42 0.00 1.01 0.00 0.00 58.87 58.86 3br9 n SER 473 Cb 0.32 0.08 -0.01 0.00 -1.01 0.00 0.00 64.21 63.59 3br9 n SER 473 CO 0.00 0.00 0.00 0.18 -3.01 0.00 0.00 175.04 172.21 3br9 n LEU 474 N -0.08 3.96 -3.96 -3.43 4.77 -0.89 -4.13 117.00 113.24 3br9 n LEU 474 Ca 0.00 1.20 -0.09 0.00 -0.03 0.00 0.00 56.01 57.09 3br9 n LEU 474 Cb 0.13 -1.53 -0.04 0.00 -2.33 0.00 0.00 43.42 39.65 3br9 n LEU 474 CO 0.00 -0.23 0.26 -1.38 -1.33 0.00 0.00 177.39 174.72 3br9 s HIS 475 N -0.91 0.27 -1.01 -1.77 -3.43 0.13 -4.93 115.29 103.63 3br9 s HIS 475 Ca 0.57 -0.66 -0.04 0.00 -0.80 0.00 0.00 55.06 54.13 3br9 s HIS 475 Cb -0.54 0.33 -0.04 0.00 -1.43 0.00 0.00 32.58 30.90 3br9 s HIS 475 CO 0.60 -1.09 0.87 0.43 -2.00 0.00 0.00 174.74 173.55 3br9 n SER 476 N -0.53 -4.77 -4.66 7.38 7.64 -1.26 0.12 113.62 117.55 3br9 n SER 476 Ca -0.02 -0.62 -0.29 0.00 1.01 0.00 0.00 58.87 58.94 3br9 n SER 476 Cb 0.61 -4.80 0.17 0.00 -1.01 0.00 0.00 64.21 59.18 3br9 n SER 476 CO 0.00 0.00 0.00 -0.31 -3.01 0.00 0.00 175.04 171.72 3br9 s TYR 477 N -3.35 2.04 0.54 1.43 2.02 -1.26 -4.03 117.35 114.74 3br9 s TYR 477 Ca 0.27 1.16 -0.18 0.00 -0.37 0.00 0.00 57.07 57.95 3br9 s TYR 477 Cb -0.04 -3.20 -0.06 0.00 -0.40 0.00 0.00 41.96 38.26 3br9 s TYR 477 CO 0.68 -2.86 1.04 -1.54 -1.57 0.00 0.00 175.55 171.30 3br9 s SER 478 N -3.25 6.09 0.27 2.29 1.04 -1.17 -4.86 113.70 114.11 3br9 s SER 478 Ca 0.65 1.85 -0.04 0.00 0.48 0.00 0.00 55.95 58.89 3br9 s SER 478 Cb -0.20 -2.54 0.33 0.00 0.10 0.00 0.00 66.02 63.71 3br9 s SER 478 CO 0.58 -0.95 1.94 -0.65 0.98 0.00 0.00 173.24 175.14 3br9 h PRO 479 N 0.98 1.24 -0.20 4.02 0.11 -1.93 0.29 132.00 136.50 3br9 h PRO 479 Ca -0.48 -0.07 -0.16 0.00 0.11 0.00 0.00 66.00 65.40 3br9 h PRO 479 Cb 1.22 -0.28 -0.01 0.00 0.11 0.00 0.00 31.00 32.04 3br9 h PRO 479 CO 0.58 0.82 -0.51 0.78 -0.21 0.00 0.00 178.00 179.46 3br9 h GLY 480 N 1.28 0.63 0.70 -0.55 0.00 -1.98 0.22 103.07 103.37 3br9 h GLY 480 Ca 0.36 -0.71 -0.01 0.00 0.00 0.00 0.00 47.33 46.97 3br9 h GLY 480 CO -0.08 0.64 -0.05 -2.09 0.00 0.00 0.00 176.54 174.95 3br9 h GLU 481 N 0.45 -0.14 -0.40 4.80 4.57 -1.85 -1.27 114.58 120.75 3br9 h GLU 481 Ca 0.02 0.01 0.04 0.00 -1.18 0.00 0.00 59.36 58.25 3br9 h GLU 481 Cb 1.05 0.03 -0.04 0.00 -0.16 0.00 0.00 28.75 29.63 3br9 h GLU 481 CO 0.10 0.17 0.17 0.82 -1.18 0.00 0.00 179.01 179.08 3br9 h ILE 482 N -0.44 0.92 -0.52 2.32 2.04 -0.93 -1.22 117.51 119.68 3br9 h ILE 482 Ca -0.01 -0.12 -0.03 0.00 1.00 0.00 0.00 64.86 65.70 3br9 h ILE 482 Cb 0.37 0.55 -0.03 0.00 -0.74 0.00 0.00 36.82 36.97 3br9 h ILE 482 CO 0.02 0.06 0.20 0.78 0.00 0.00 0.00 178.15 179.22 3br9 h ASN 483 N 0.34 0.69 -0.48 1.72 2.35 -0.53 -0.02 115.58 119.66 3br9 h ASN 483 Ca 0.18 -0.08 -0.05 0.00 -0.55 0.00 0.00 56.30 55.79 3br9 h ASN 483 Cb 0.13 -0.18 -0.02 0.00 0.05 0.00 0.00 38.32 38.30 3br9 h ASN 483 CO -0.16 0.63 0.11 -0.09 -1.65 0.00 0.00 177.43 176.27 3br9 h ARG 484 N 0.75 0.77 0.41 0.81 2.43 -0.61 -0.41 114.38 118.52 3br9 h ARG 484 Ca 0.18 -0.19 -0.02 0.00 -0.81 0.00 0.00 59.98 59.14 3br9 h ARG 484 Cb 0.16 -0.10 0.00 0.00 -0.42 0.00 0.00 29.97 29.62 3br9 h ARG 484 CO -0.02 0.76 -0.20 0.28 -1.51 0.00 0.00 179.97 179.28 3br9 h VAL 485 N 0.65 0.57 -0.31 0.20 2.07 -0.70 -0.57 116.25 118.15 3br9 h VAL 485 Ca 0.15 -0.34 0.07 0.00 0.82 0.00 0.00 66.70 67.40 3br9 h VAL 485 Cb 0.34 0.73 -0.07 0.00 -1.52 0.00 0.00 31.29 30.78 3br9 h VAL 485 CO 0.00 0.06 -0.14 0.00 0.02 0.00 0.00 177.57 177.52 3br9 h ALA 486 N -0.26 0.12 -0.79 1.67 0.00 -1.01 0.90 119.26 119.88 3br9 h ALA 486 Ca -0.06 0.12 0.08 0.00 0.00 0.00 0.00 54.91 55.05 3br9 h ALA 486 Cb 0.52 0.34 -0.06 0.00 0.00 0.00 0.00 17.79 18.59 3br9 h ALA 486 CO 0.09 -0.52 0.46 1.03 0.00 0.00 0.00 179.25 180.31 3br9 h SER 487 N -0.08 0.69 -0.87 0.00 0.87 -1.06 -1.49 113.55 111.61 3br9 h SER 487 Ca 0.16 0.03 -0.02 0.00 -1.23 0.00 0.00 61.79 60.73 3br9 h SER 487 Cb 0.33 -0.10 -0.04 0.00 -0.44 0.00 0.00 62.40 62.14 3br9 h SER 487 CO -0.37 0.42 0.47 0.00 -0.53 0.00 0.00 176.83 176.82 3br9 h LEU 489 N 1.21 0.79 -1.38 0.00 3.38 0.05 -1.95 115.31 117.41 3br9 h LEU 489 Ca 0.30 -0.21 0.03 0.00 0.09 0.00 0.00 57.88 58.10 3br9 h LEU 489 Cb 0.04 -0.21 -0.04 0.00 0.09 0.00 0.00 40.66 40.55 3br9 h LEU 489 CO -0.05 0.79 0.44 0.03 0.09 0.00 0.00 178.44 179.74 3br9 h ARG 490 N 0.76 0.79 -0.22 1.13 3.08 -1.14 0.37 114.38 119.15 3br9 h ARG 490 Ca 0.18 -0.05 -0.04 0.00 0.07 0.00 0.00 59.98 60.14 3br9 h ARG 490 Cb 0.28 -0.18 -0.01 0.00 0.08 0.00 0.00 29.97 30.14 3br9 h ARG 490 CO -0.01 0.52 -0.01 -0.22 -1.07 0.00 0.00 179.97 179.19 3br9 h LYS 491 N 0.82 0.39 -0.01 0.04 3.64 -0.70 -3.19 116.57 117.56 3br9 h LYS 491 Ca 0.26 -0.13 0.00 0.00 -1.27 0.00 0.00 60.65 59.52 3br9 h LYS 491 Cb 0.05 -0.03 0.00 0.00 -0.41 0.00 0.00 32.23 31.83 3br9 h LYS 491 CO -0.07 0.59 -0.40 1.28 -2.27 0.00 0.00 179.45 178.57 3br9 n LEU 492 N -4.66 1.31 -2.24 5.20 4.77 -0.80 -4.83 117.00 115.76 3br9 n LEU 492 Ca -0.04 -0.42 -0.13 0.00 -0.03 0.00 0.00 56.01 55.39 3br9 n LEU 492 Cb 0.24 -0.08 0.05 0.00 -2.33 0.00 0.00 43.42 41.29 3br9 n LEU 492 CO 0.37 0.25 0.12 0.61 -1.33 0.00 0.00 177.39 177.42 3br9 n GLY 493 N 1.39 0.10 3.76 -0.72 0.00 0.98 -0.98 105.19 109.72 3br9 n GLY 493 Ca 0.10 -0.16 -0.39 0.00 0.00 0.00 0.00 46.02 45.57 3br9 n GLY 493 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3br9 s VAL 494 N -3.18 4.88 0.54 1.61 1.01 0.57 -1.43 120.40 124.40 3br9 s VAL 494 Ca 0.27 1.30 -0.20 0.00 0.00 0.00 0.00 61.98 63.36 3br9 s VAL 494 Cb -0.12 -3.96 -0.08 0.00 0.00 0.00 0.00 36.38 32.23 3br9 s VAL 494 CO 0.40 0.41 0.81 -2.65 0.00 0.00 0.00 175.10 174.08 3br9 n PRO 495 N 2.72 0.86 -0.97 2.72 -0.02 -1.26 -4.54 135.00 134.51 3br9 n PRO 495 Ca -0.06 0.32 -0.31 0.00 -2.02 0.00 0.00 63.50 61.43 3br9 n PRO 495 Cb 0.51 -1.96 0.13 0.00 -0.02 0.00 0.00 33.50 32.16 3br9 n PRO 495 CO 0.00 0.00 0.00 -1.25 1.98 0.00 0.00 175.50 176.23 3br9 s PRO 496 N -2.32 1.58 0.62 0.52 0.04 -1.26 -4.83 135.00 129.35 3br9 s PRO 496 Ca 0.70 1.41 0.32 0.00 0.04 0.00 0.00 61.00 63.48 3br9 s PRO 496 Cb -0.47 -1.80 1.81 0.00 0.04 0.00 0.00 34.50 34.08 3br9 s PRO 496 CO 0.52 -2.19 2.12 -0.07 0.04 0.00 0.00 177.00 177.42 3br9 h LEU 497 N -1.47 0.00 -0.62 -3.56 3.38 -1.99 0.58 115.31 111.63 3br9 h LEU 497 Ca -0.44 0.00 -0.15 0.00 0.09 0.00 0.00 57.88 57.39 3br9 h LEU 497 Cb 1.25 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 42.00 3br9 h LEU 497 CO 0.46 0.00 -0.52 0.08 0.09 0.00 0.00 178.44 178.55 3br9 h ARG 498 N 0.00 0.45 -0.54 1.13 0.11 -1.99 -0.34 114.38 113.19 3br9 h ARG 498 Ca 0.05 -0.27 -0.09 0.00 0.10 0.00 0.00 59.98 59.77 3br9 h ARG 498 Cb 0.43 0.03 -0.02 0.00 1.11 0.00 0.00 29.97 31.52 3br9 h ARG 498 CO -0.00 0.87 -0.01 0.28 0.10 0.00 0.00 179.97 181.21 3br9 h VAL 499 N 0.35 1.26 -0.49 0.08 2.07 -1.23 -2.53 116.25 115.77 3br9 h VAL 499 Ca 0.01 -1.12 -0.09 0.00 0.82 0.00 0.00 66.70 66.32 3br9 h VAL 499 Cb 1.03 0.91 -0.02 0.00 -1.52 0.00 0.00 31.29 31.69 3br9 h VAL 499 CO 0.09 0.40 -0.06 -0.50 0.02 0.00 0.00 177.57 177.52 3br9 h TRP 500 N 0.84 0.94 -0.75 1.57 4.06 -1.27 0.15 115.95 121.49 3br9 h TRP 500 Ca 0.15 -0.16 -0.00 0.00 2.06 0.00 0.00 58.89 60.94 3br9 h TRP 500 Cb 0.54 -0.25 -0.04 0.00 -1.00 0.00 0.00 29.16 28.42 3br9 h TRP 500 CO 0.04 0.88 0.46 -0.09 -3.56 0.00 0.00 178.44 176.18 3br9 h ARG 501 N 0.79 1.00 0.44 0.49 2.43 -1.01 0.14 114.38 118.67 3br9 h ARG 501 Ca 0.14 -0.08 -0.02 0.00 -0.81 0.00 0.00 59.98 59.21 3br9 h ARG 501 Cb 0.55 -0.22 0.00 0.00 -0.42 0.00 0.00 29.97 29.89 3br9 h ARG 501 CO 0.03 0.70 -0.21 1.25 -1.51 0.00 0.00 179.97 180.23 3br9 h HIS 502 N 1.02 -0.55 -0.79 2.20 2.76 -0.90 -1.77 115.15 117.12 3br9 h HIS 502 Ca 0.27 -0.01 0.13 0.00 -2.20 0.00 0.00 60.37 58.56 3br9 h HIS 502 Cb -0.06 0.18 -0.09 0.00 1.55 0.00 0.00 27.41 28.99 3br9 h HIS 502 CO -0.01 -0.28 0.38 0.00 -1.30 0.00 0.00 177.93 176.72 3br9 h ARG 503 N -0.71 0.56 -0.31 5.26 3.08 -0.66 -1.31 114.38 120.30 3br9 h ARG 503 Ca -0.06 -0.03 -0.03 0.00 0.07 0.00 0.00 59.98 59.93 3br9 h ARG 503 Cb 0.51 -0.13 -0.02 0.00 0.08 0.00 0.00 29.97 30.42 3br9 h ARG 503 CO 0.10 0.37 0.08 0.00 -1.07 0.00 0.00 179.97 179.45 3br9 h ALA 504 N 1.52 1.57 -0.67 0.04 0.00 -0.39 0.29 119.26 121.61 3br9 h ALA 504 Ca 0.42 -0.12 -0.08 0.00 0.00 0.00 0.00 54.91 55.13 3br9 h ALA 504 Cb 0.56 -0.13 -0.03 0.00 0.00 0.00 0.00 17.79 18.19 3br9 h ALA 504 CO -0.34 0.33 0.13 0.00 0.00 0.00 0.00 179.25 179.36 3br9 h ARG 505 N 0.44 1.10 0.01 0.00 3.08 -0.35 0.30 114.38 118.95 3br9 h ARG 505 Ca 0.11 -0.28 -0.00 0.00 0.07 0.00 0.00 59.98 59.87 3br9 h ARG 505 Cb 0.17 -0.14 0.00 0.00 0.08 0.00 0.00 29.97 30.08 3br9 h ARG 505 CO -0.00 0.99 -0.00 1.03 -1.07 0.00 0.00 179.97 180.91 3br9 h SER 506 N 1.03 -0.01 -0.60 7.04 0.87 -0.93 -2.39 113.55 118.56 3br9 h SER 506 Ca 0.21 -0.34 0.08 0.00 -1.23 0.00 0.00 61.79 60.50 3br9 h SER 506 Cb 0.42 0.00 -0.06 0.00 -0.44 0.00 0.00 62.40 62.32 3br9 h SER 506 CO 0.01 0.33 0.27 0.58 -0.53 0.00 0.00 176.83 177.50 3br9 h VAL 507 N -0.36 0.86 -0.23 2.23 2.07 -0.19 -0.51 116.25 120.12 3br9 h VAL 507 Ca -0.00 -0.17 0.05 0.00 0.82 0.00 0.00 66.70 67.40 3br9 h VAL 507 Cb 0.35 0.32 -0.05 0.00 -1.52 0.00 0.00 31.29 30.39 3br9 h VAL 507 CO 0.00 0.09 -0.09 -0.09 0.02 0.00 0.00 177.57 177.51 3br9 h ARG 508 N 0.49 -0.05 -0.53 1.57 2.43 -0.42 -0.79 114.38 117.09 3br9 h ARG 508 Ca 0.29 0.00 -0.10 0.00 -0.81 0.00 0.00 59.98 59.37 3br9 h ARG 508 Cb 0.29 0.01 -0.02 0.00 -0.42 0.00 0.00 29.97 29.83 3br9 h ARG 508 CO -0.24 -0.03 -0.06 0.00 -1.51 0.00 0.00 179.97 178.12 3br9 h ALA 509 N 1.16 0.90 -0.72 2.80 0.00 -0.91 0.14 119.26 122.63 3br9 h ALA 509 Ca 0.12 -0.32 -0.03 0.00 0.00 0.00 0.00 54.91 54.68 3br9 h ALA 509 Cb 0.22 -0.20 -0.03 0.00 0.00 0.00 0.00 17.79 17.78 3br9 h ALA 509 CO -0.26 0.64 0.34 0.00 0.00 0.00 0.00 179.25 179.97 3br9 h ARG 510 N 0.85 1.02 -0.05 0.00 3.08 -0.92 -1.23 114.38 117.12 3br9 h ARG 510 Ca 0.15 -0.14 -0.06 0.00 0.07 0.00 0.00 59.98 59.99 3br9 h ARG 510 Cb 0.59 -0.19 0.00 0.00 0.08 0.00 0.00 29.97 30.45 3br9 h ARG 510 CO 0.04 0.79 -0.21 -0.07 -1.07 0.00 0.00 179.97 179.44 3br9 h LEU 511 N 1.01 0.28 -1.15 3.04 3.38 -0.45 -3.05 115.31 118.37 3br9 h LEU 511 Ca 0.25 -0.65 0.22 0.00 0.09 0.00 0.00 57.88 57.79 3br9 h LEU 511 Cb 0.10 -0.08 -0.10 0.00 0.09 0.00 0.00 40.66 40.67 3br9 h LEU 511 CO -0.03 0.88 0.62 -0.07 0.09 0.00 0.00 178.44 179.92 3br9 h LEU 512 N -0.31 0.65 -1.37 1.67 3.38 -0.62 -1.23 115.31 117.48 3br9 h LEU 512 Ca -0.01 0.09 -0.06 0.00 0.09 0.00 0.00 57.88 57.99 3br9 h LEU 512 Cb 0.86 -0.02 -0.01 0.00 0.09 0.00 0.00 40.66 41.59 3br9 h LEU 512 CO 0.04 0.20 -0.27 0.28 0.09 0.00 0.00 178.44 178.78 3br9 h SER 513 N 0.61 0.00 0.98 -0.43 0.02 -1.14 -1.40 113.55 112.19 3br9 h SER 513 Ca 0.58 0.00 -0.04 0.00 -0.84 0.00 0.00 61.79 61.48 3br9 h SER 513 Cb 1.11 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 63.64 3br9 h SER 513 CO -0.35 0.27 -0.21 1.56 -1.14 0.00 0.00 176.83 176.96 3br9 h GLN 514 N 0.00 0.00 -2.41 3.45 1.08 -1.13 -3.50 115.11 112.60 3br9 h GLN 514 Ca -0.00 0.00 0.29 0.00 -1.45 0.00 0.00 58.65 57.49 3br9 h GLN 514 Cb 0.62 0.00 -0.08 0.00 -0.05 0.00 0.00 27.48 27.98 3br9 h GLN 514 CO 0.04 0.21 -0.40 0.41 -0.95 0.00 0.00 178.83 178.13 3br9 n GLY 515 N 0.21 -1.77 7.00 3.46 0.00 -0.53 -4.81 105.19 108.76 3br9 n GLY 515 Ca 0.00 -1.25 0.00 0.00 0.00 0.00 0.00 46.02 44.77 3br9 n GLY 515 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3br9 n GLY 516 N -3.45 1.98 0.28 -0.02 0.00 -1.26 -2.21 105.19 100.51 3br9 n GLY 516 Ca 0.01 -0.57 -0.08 0.00 0.00 0.00 0.00 46.02 45.37 3br9 n GLY 516 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 3br9 h ARG 517 N 0.00 0.96 -0.53 1.61 3.08 -1.92 -0.06 114.38 117.52 3br9 h ARG 517 Ca 0.00 -0.23 0.03 0.00 0.07 0.00 0.00 59.98 59.85 3br9 h ARG 517 Cb 0.00 -0.13 -0.04 0.00 0.08 0.00 0.00 29.97 29.89 3br9 h ARG 517 CO 0.00 0.88 0.31 0.00 -1.07 0.00 0.00 179.97 180.09 3br9 h ALA 518 N 1.04 0.69 -0.14 0.04 0.00 -1.83 0.25 119.26 119.31 3br9 h ALA 518 Ca 0.19 -0.00 -0.04 0.00 0.00 0.00 0.00 54.91 55.06 3br9 h ALA 518 Cb 0.35 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 17.99 3br9 h ALA 518 CO 0.00 0.01 -0.08 0.00 0.00 0.00 0.00 179.25 179.18 3br9 h ALA 519 N 1.25 1.62 -0.27 0.00 0.00 -0.98 0.72 119.26 121.60 3br9 h ALA 519 Ca 0.22 -0.15 -0.13 0.00 0.00 0.00 0.00 54.91 54.85 3br9 h ALA 519 Cb 0.05 -0.07 -0.00 0.00 0.00 0.00 0.00 17.79 17.76 3br9 h ALA 519 CO -0.11 0.28 -0.34 1.15 0.00 0.00 0.00 179.25 180.23 3br9 h THR 520 N 0.20 1.31 -0.62 0.00 2.02 0.70 0.78 112.91 117.29 3br9 h THR 520 Ca 0.04 -1.52 0.10 0.00 0.77 0.00 0.00 66.41 65.80 3br9 h THR 520 Cb 0.27 1.66 -0.07 0.00 -1.74 0.00 0.00 68.15 68.26 3br9 h THR 520 CO 0.01 0.48 0.23 0.00 0.37 0.00 0.00 175.52 176.62 3br9 h GLY 522 N 0.41 0.40 0.83 0.00 0.00 -0.65 -1.48 103.07 102.59 3br9 h GLY 522 Ca 0.31 -0.13 -0.02 0.00 0.00 0.00 0.00 47.33 47.49 3br9 h GLY 522 CO -0.31 0.12 0.03 1.70 0.00 0.00 0.00 176.54 178.07 3br9 h LYS 523 N 0.36 0.33 0.00 4.80 3.64 0.16 -2.89 116.57 122.97 3br9 h LYS 523 Ca 0.11 -0.09 -0.24 0.00 -1.27 0.00 0.00 60.65 59.16 3br9 h LYS 523 Cb -0.01 -0.04 -0.04 0.00 -0.41 0.00 0.00 32.23 31.74 3br9 h LYS 523 CO -0.05 0.49 -1.33 0.66 -2.27 0.00 0.00 179.45 176.96 3br9 n TYR 524 N -4.74 0.97 0.22 1.91 4.01 0.11 -3.11 117.16 116.53 3br9 n TYR 524 Ca -0.04 0.42 0.05 0.00 -0.16 0.00 0.00 57.90 58.17 3br9 n TYR 524 Cb 0.20 -1.10 0.51 0.00 -0.31 0.00 0.00 39.34 38.64 3br9 n TYR 524 CO 0.00 0.00 0.00 -0.07 -0.46 0.00 0.00 176.86 176.33 3br9 h LEU 525 N -1.00 0.00 -2.97 7.72 3.38 -1.42 -3.12 115.31 117.89 3br9 h LEU 525 Ca -0.37 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.60 3br9 h LEU 525 Cb 1.32 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.07 3br9 h LEU 525 CO -0.22 0.19 -0.01 0.49 0.09 0.00 0.00 178.44 178.98 3br9 n PHE 526 N -4.28 0.00 0.00 1.13 3.72 -1.09 -4.64 117.46 112.30 3br9 n PHE 526 Ca -0.02 -0.76 0.12 0.00 -0.05 0.00 0.00 57.45 56.74 3br9 n PHE 526 Cb 0.25 -0.10 0.55 0.00 -0.94 0.00 0.00 39.48 39.24 3br9 n PHE 526 CO 0.00 0.00 0.00 -0.97 -0.05 0.00 0.00 176.76 175.74 3br9 h ASN 527 N 0.00 0.24 0.01 4.37 -1.24 -1.48 0.37 115.58 117.86 3br9 h ASN 527 Ca 0.00 0.00 -0.00 0.00 0.71 0.00 0.00 56.30 57.01 3br9 h ASN 527 Cb 0.78 -0.05 -0.00 0.00 0.73 0.00 0.00 38.32 39.78 3br9 h ASN 527 CO 0.00 0.15 -0.01 4.11 -1.29 0.00 0.00 177.43 180.39 3br9 h TRP 528 N 0.27 0.00 0.00 0.67 5.08 -1.82 -3.13 115.95 117.02 3br9 h TRP 528 Ca 0.21 0.00 -0.05 0.00 1.08 0.00 0.00 58.89 60.13 3br9 h TRP 528 Cb 0.46 0.00 -0.01 0.00 -3.00 0.00 0.00 29.16 26.62 3br9 h TRP 528 CO -0.00 0.01 -0.22 0.00 -1.28 0.00 0.00 178.44 176.95 3br9 h ALA 529 N 1.99 0.96 -3.34 0.11 0.00 -1.27 -3.44 119.26 114.27 3br9 h ALA 529 Ca -0.00 -0.20 -0.66 0.00 0.00 0.00 0.00 54.91 54.04 3br9 h ALA 529 Cb 0.02 -0.04 -0.17 0.00 0.00 0.00 0.00 17.79 17.60 3br9 h ALA 529 CO 0.00 0.28 -0.63 0.14 0.00 0.00 0.00 179.25 179.04 3br9 s VAL 530 N -3.50 4.21 0.18 0.00 -7.23 -1.18 -4.77 120.40 108.12 3br9 s VAL 530 Ca 0.02 -0.27 -0.25 0.00 -1.81 0.00 0.00 61.98 59.67 3br9 s VAL 530 Cb 0.09 -2.80 0.06 0.00 0.56 0.00 0.00 36.38 34.30 3br9 s VAL 530 CO 0.65 0.56 1.56 0.11 -0.31 0.00 0.00 175.10 177.67 3br9 h LYS 531 N 5.70 -0.13 -4.50 4.82 1.57 -1.89 -3.38 116.57 118.76 3br9 h LYS 531 Ca -0.44 0.01 -0.71 0.00 -1.87 0.00 0.00 60.65 57.63 3br9 h LYS 531 Cb 1.19 0.03 -0.27 0.00 0.08 0.00 0.00 32.23 33.25 3br9 h LYS 531 CO 0.58 -0.08 -0.49 -0.08 -0.57 0.00 0.00 179.45 178.80 3br9 s THR 532 N -5.80 4.25 0.42 -0.16 -1.32 -1.26 -5.06 115.64 106.71 3br9 s THR 532 Ca -0.14 -1.27 -0.00 0.00 -1.21 0.00 0.00 61.69 59.08 3br9 s THR 532 Cb 0.14 -3.53 -0.01 0.00 -1.51 0.00 0.00 72.50 67.59 3br9 s THR 532 CO 0.67 -0.42 0.65 -0.54 -2.21 0.00 0.00 174.62 172.76 3br9 s LYS 533 N 1.45 3.23 0.38 7.08 1.02 -1.26 -5.09 119.74 126.54 3br9 s LYS 533 Ca 0.02 -0.38 0.03 0.00 0.02 0.00 0.00 55.97 55.66 3br9 s LYS 533 Cb -0.22 -2.57 -0.01 0.00 -0.52 0.00 0.00 37.83 34.51 3br9 s LYS 533 CO 0.03 -0.14 0.56 -0.51 -0.92 0.00 0.00 175.35 174.37 3br9 s LEU 534 N -4.50 3.87 -0.31 3.17 1.02 -1.26 -5.06 118.68 115.61 3br9 s LEU 534 Ca 0.46 0.16 -0.25 0.00 0.02 0.00 0.00 54.13 54.51 3br9 s LEU 534 Cb -0.10 -3.04 0.01 0.00 0.02 0.00 0.00 46.19 43.07 3br9 s LEU 534 CO 0.38 -0.49 0.88 -0.75 0.02 0.00 0.00 176.35 176.39 3br9 s LYS 535 N -4.35 4.00 -0.66 1.70 2.47 -1.26 -4.99 119.74 116.65 3br9 s LYS 535 Ca 0.44 0.75 -0.20 0.00 -1.56 0.00 0.00 55.97 55.41 3br9 s LYS 535 Cb -0.10 -3.73 0.10 0.00 -1.46 0.00 0.00 37.83 32.65 3br9 s LYS 535 CO 0.35 -0.74 0.83 -0.51 0.16 0.00 0.00 175.35 175.43 3br9 s LEU 536 N 3.17 5.11 0.34 5.43 1.43 -1.26 -5.01 118.68 127.88 3br9 s LEU 536 Ca 0.36 -1.42 0.03 0.00 -1.03 0.00 0.00 54.13 52.07 3br9 s LEU 536 Cb -0.14 -2.34 -0.02 0.00 0.03 0.00 0.00 46.19 43.72 3br9 s LEU 536 CO 0.13 -1.19 0.51 0.42 0.23 0.00 0.00 176.35 176.46 3br9 s THR 537 N 3.00 4.71 0.60 5.49 -4.23 -1.26 -5.05 115.64 118.90 3br9 s THR 537 Ca 0.17 -0.70 -0.18 0.00 -1.18 0.00 0.00 61.69 59.80 3br9 s THR 537 Cb -0.19 -3.69 -0.11 0.00 1.34 0.00 0.00 72.50 69.85 3br9 s THR 537 CO 0.05 -0.38 0.16 -2.65 -0.54 0.00 0.00 174.62 171.27 3br9 n PRO 538 N -1.73 0.23 -3.67 3.99 -0.02 -1.26 -4.97 135.00 127.57 3br9 n PRO 538 Ca -0.04 0.09 -0.38 0.00 -2.02 0.00 0.00 63.50 61.16 3br9 n PRO 538 Cb 0.57 -1.39 -0.12 0.00 -0.02 0.00 0.00 33.50 32.54 3br9 n PRO 538 CO 0.00 0.00 0.00 0.42 1.98 0.00 0.00 175.50 177.90 3br9 s ILE 539 N -1.89 4.58 0.16 4.25 1.01 -1.26 -5.00 121.20 123.05 3br9 s ILE 539 Ca 0.61 -0.36 -0.20 0.00 0.00 0.00 0.00 60.65 60.70 3br9 s ILE 539 Cb -0.43 -3.30 0.07 0.00 0.01 0.00 0.00 42.46 38.81 3br9 s ILE 539 CO 0.62 0.12 1.64 -0.65 0.00 0.00 0.00 174.94 176.67 3br9 h PRO 540 N 8.33 -0.13 0.00 2.79 0.11 -2.03 -1.55 132.00 139.52 3br9 h PRO 540 Ca -0.33 0.01 -0.00 0.00 0.11 0.00 0.00 66.00 65.79 3br9 h PRO 540 Cb 1.15 0.03 -0.00 0.00 0.11 0.00 0.00 31.00 32.29 3br9 h PRO 540 CO 0.61 -0.09 -0.00 0.00 -0.21 0.00 0.00 178.00 178.30 3br9 h ALA 541 N 1.08 1.35 -0.92 -0.75 0.00 -2.00 -2.35 119.26 115.68 3br9 h ALA 541 Ca 0.17 -0.00 0.10 0.00 0.00 0.00 0.00 54.91 55.18 3br9 h ALA 541 Cb 0.40 -0.00 -0.08 0.00 0.00 0.00 0.00 17.79 18.12 3br9 h ALA 541 CO -0.43 0.00 0.56 0.00 0.00 0.00 0.00 179.25 179.39 3br9 h ALA 542 N 2.00 1.33 0.00 0.00 0.00 -1.59 -0.13 119.26 120.87 3br9 h ALA 542 Ca -0.00 0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.93 3br9 h ALA 542 Cb 0.01 -0.19 0.00 0.00 0.00 0.00 0.00 17.79 17.61 3br9 h ALA 542 CO 0.00 0.20 0.00 0.43 0.00 0.00 0.00 179.25 179.88 3br9 n SER 543 N -4.66 0.00 -0.56 0.00 7.64 -0.88 -2.60 113.62 112.56 3br9 n SER 543 Ca 0.16 -0.25 0.13 0.00 1.01 0.00 0.00 58.87 59.92 3br9 n SER 543 Cb 0.29 -0.21 0.37 0.00 -1.01 0.00 0.00 64.21 63.65 3br9 n SER 543 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 3br9 n GLN 544 N -1.21 1.67 -2.86 1.43 1.13 -0.06 -4.98 117.38 112.51 3br9 n GLN 544 Ca 0.13 -1.13 -0.41 0.00 -1.94 0.00 0.00 57.00 53.66 3br9 n GLN 544 Cb 0.16 -1.48 -0.04 0.00 0.11 0.00 0.00 30.24 29.00 3br9 n GLN 544 CO 0.00 0.00 0.00 -0.51 -1.44 0.00 0.00 177.06 175.11 3br9 s LEU 545 N -2.10 4.33 -1.06 1.08 1.43 -1.07 -4.98 118.68 116.30 3br9 s LEU 545 Ca 0.32 1.42 -0.22 0.00 -1.03 0.00 0.00 54.13 54.62 3br9 s LEU 545 Cb 0.20 -3.35 0.00 0.00 0.03 0.00 0.00 46.19 43.08 3br9 s LEU 545 CO 0.37 -0.22 1.72 -0.62 0.23 0.00 0.00 176.35 177.83 3br9 s ASP 546 N 0.94 5.94 -0.22 2.29 3.68 -1.26 -4.70 116.67 123.34 3br9 s ASP 546 Ca 0.45 -1.44 0.15 0.00 2.13 0.00 0.00 52.55 53.84 3br9 s ASP 546 Cb -0.19 -2.57 0.73 0.00 -1.45 0.00 0.00 42.92 39.43 3br9 s ASP 546 CO 0.22 -2.05 1.64 0.18 0.13 0.00 0.00 175.17 175.30 3br9 n LEU 547 N 11.13 5.13 -4.73 -1.34 4.77 -1.26 -4.92 117.00 125.77 3br9 n LEU 547 Ca 0.40 -2.96 -0.41 0.00 -0.03 0.00 0.00 56.01 53.00 3br9 n LEU 547 Cb 0.48 -0.64 -0.03 0.00 -2.33 0.00 0.00 43.42 40.90 3br9 n LEU 547 CO 0.66 0.65 0.93 -0.94 -1.33 0.00 0.00 177.39 177.36 3br9 s SER 548 N -1.18 7.01 0.00 -1.43 1.04 -1.26 -3.35 113.70 114.53 3br9 s SER 548 Ca 0.51 2.28 0.00 0.00 0.48 0.00 0.00 55.95 59.21 3br9 s SER 548 Cb 0.39 -2.60 0.00 0.00 0.10 0.00 0.00 66.02 63.91 3br9 s SER 548 CO 0.14 -0.45 0.00 0.61 0.98 0.00 0.00 173.24 174.52 3br9 n GLY 549 N 2.40 0.93 0.13 7.32 0.00 -1.26 -4.96 105.19 109.74 3br9 n GLY 549 Ca 0.06 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 45.95 3br9 n GLY 549 CO 0.00 0.00 0.00 1.49 0.00 0.00 0.00 173.32 174.81 3br9 h TRP 550 N 0.00 0.37 -2.18 1.61 4.06 -1.93 -3.34 115.95 114.54 3br9 h TRP 550 Ca 0.00 -0.09 -0.58 0.00 2.06 0.00 0.00 58.89 60.27 3br9 h TRP 550 Cb 0.00 -0.09 -0.41 0.00 -1.00 0.00 0.00 29.16 27.66 3br9 h TRP 550 CO 0.00 0.64 -0.71 1.19 -3.56 0.00 0.00 178.44 176.00 3br9 n PHE 551 N -4.64 3.01 -0.06 0.49 3.72 -1.26 -4.76 117.46 113.96 3br9 n PHE 551 Ca -0.06 -4.02 -0.12 0.00 -0.05 0.00 0.00 57.45 53.21 3br9 n PHE 551 Cb 0.30 -0.50 -0.04 0.00 -0.94 0.00 0.00 39.48 38.29 3br9 n PHE 551 CO 0.00 0.00 0.00 0.28 -0.05 0.00 0.00 176.76 176.99 3br9 n VAL 552 N 0.59 1.22 -4.09 -4.37 0.31 -1.16 -4.10 118.33 106.73 3br9 n VAL 552 Ca 0.29 0.01 -0.10 0.00 -0.01 0.00 0.00 64.34 64.52 3br9 n VAL 552 Cb 0.44 -1.93 -0.07 0.00 -0.91 0.00 0.00 33.84 31.36 3br9 n VAL 552 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 3br9 s ALA 553 N -2.47 0.41 0.13 3.52 0.00 -1.24 -3.74 121.76 118.36 3br9 s ALA 553 Ca -0.22 -1.26 0.04 0.00 0.00 0.00 0.00 51.96 50.52 3br9 s ALA 553 Cb 0.06 1.22 -0.04 0.00 0.00 0.00 0.00 23.12 24.36 3br9 s ALA 553 CO 0.30 -0.73 0.15 0.20 0.00 0.00 0.00 175.76 175.67 3br9 s GLY 554 N -3.08 1.84 0.00 0.00 0.00 -1.26 -4.90 107.32 99.91 3br9 s GLY 554 Ca 0.30 -1.10 0.00 0.00 0.00 0.00 0.00 44.72 43.92 3br9 s GLY 554 CO 0.10 -1.10 0.74 -1.72 0.00 0.00 0.00 173.10 171.13 3br9 n TYR 555 N -0.08 0.00 -1.77 1.90 4.01 0.05 -4.51 117.16 116.76 3br9 n TYR 555 Ca -0.08 0.00 -0.41 0.00 -0.16 0.00 0.00 57.90 57.25 3br9 n TYR 555 Cb 0.53 0.04 -0.00 0.00 -0.31 0.00 0.00 39.34 39.60 3br9 n TYR 555 CO 0.00 0.00 0.00 -1.13 -0.46 0.00 0.00 176.86 175.27 3br9 n SER 556 N 0.00 3.78 0.00 7.72 3.41 -1.25 0.15 113.62 127.43 3br9 n SER 556 Ca 0.00 1.23 0.00 0.00 -0.26 0.00 0.00 58.87 59.84 3br9 n SER 556 Cb 0.61 -1.62 0.00 0.00 -0.26 0.00 0.00 64.21 62.94 3br9 n SER 556 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3br9 n GLY 557 N 0.51 0.32 0.53 5.00 0.00 -1.26 -4.04 105.19 106.25 3br9 n GLY 557 Ca 0.02 0.00 0.10 0.00 0.00 0.00 0.00 46.02 46.14 3br9 n GLY 557 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3br9 n GLY 558 N -2.00 0.22 3.61 -0.02 0.00 0.12 -2.83 105.19 104.30 3br9 n GLY 558 Ca 0.00 -0.40 -0.20 0.00 0.00 0.00 0.00 46.02 45.42 3br9 n GLY 558 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 3br9 n ASP 559 N 0.27 -1.53 -4.35 1.61 2.03 -1.26 -4.53 116.55 108.79 3br9 n ASP 559 Ca 0.16 -0.76 -0.33 0.00 0.52 0.00 0.00 54.79 54.38 3br9 n ASP 559 Cb 0.31 -4.38 -0.15 0.00 -0.72 0.00 0.00 41.12 36.19 3br9 n ASP 559 CO 0.00 0.00 0.00 -0.63 -1.92 0.00 0.00 177.20 174.65 3br9 s ILE 560 N -3.58 2.96 -0.09 5.18 -1.09 -1.26 -4.28 121.20 119.04 3br9 s ILE 560 Ca 0.01 -0.69 0.03 0.00 -2.23 0.00 0.00 60.65 57.78 3br9 s ILE 560 Cb -0.00 -2.24 0.00 0.00 -1.58 0.00 0.00 42.46 38.64 3br9 s ILE 560 CO 0.79 0.52 -0.21 -0.47 -1.23 0.00 0.00 174.94 174.34 3br9 s TYR 561 N 0.44 2.30 -1.07 3.97 5.04 0.30 -0.79 117.35 127.54 3br9 s TYR 561 Ca -0.10 -0.95 0.09 0.00 -2.44 0.00 0.00 57.07 53.67 3br9 s TYR 561 Cb -0.16 -1.56 0.07 0.00 0.35 0.00 0.00 41.96 40.65 3br9 s TYR 561 CO 0.05 -0.40 0.77 0.72 -1.34 0.00 0.00 175.55 175.35