#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1szd n ALA -1 N 0.00 -2.07 -2.35 3.04 0.00 -1.26 -4.89 120.51 112.97 1szd n ALA -1 Ca 0.00 0.51 -0.18 0.00 0.00 0.00 0.00 53.44 53.78 1szd n ALA -1 Cb 0.00 -1.89 -0.10 0.00 0.00 0.00 0.00 19.45 17.46 1szd n ALA -1 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.50 175.96 1szd s SER 0 N -0.07 1.56 0.14 0.00 1.04 -1.26 -5.09 113.70 110.02 1szd s SER 0 Ca 0.80 -1.36 -0.07 0.00 0.48 0.00 0.00 55.95 55.79 1szd s SER 0 Cb -1.02 0.08 -0.02 0.00 0.10 0.00 0.00 66.02 65.17 1szd s SER 0 CO 0.53 -0.68 0.21 0.00 0.98 0.00 0.00 173.24 174.29 1szd s MET 1 N -3.98 1.04 0.55 4.02 0.00 -1.26 -5.01 119.30 114.66 1szd s MET 1 Ca 0.36 -1.20 -0.20 0.00 0.00 0.00 0.00 55.69 54.65 1szd s MET 1 Cb 0.08 0.34 -0.05 0.00 0.00 0.00 0.00 34.83 35.19 1szd s MET 1 CO 0.13 -0.35 1.15 0.45 0.00 0.00 0.00 175.02 176.40 1szd s SER 2 N -2.97 5.63 0.36 -1.18 0.15 -1.26 -4.80 113.70 109.63 1szd s SER 2 Ca 0.17 2.24 0.10 0.00 0.70 0.00 0.00 55.95 59.15 1szd s SER 2 Cb 0.05 -2.59 0.70 0.00 -1.71 0.00 0.00 66.02 62.47 1szd s SER 2 CO -0.02 -1.28 1.84 1.62 1.20 0.00 0.00 173.24 176.60 1szd h VAL 3 N 1.18 1.23 -2.93 4.45 3.04 -1.89 -3.46 116.25 117.87 1szd h VAL 3 Ca -0.50 -1.08 -0.13 0.00 -1.01 0.00 0.00 66.70 63.98 1szd h VAL 3 Cb 1.27 1.46 -0.03 0.00 -2.01 0.00 0.00 31.29 31.98 1szd h VAL 3 CO 0.57 0.32 -0.07 -1.54 -1.01 0.00 0.00 177.57 175.84 1szd n SER 4 N -4.17 -0.59 0.22 3.17 3.41 -1.26 -5.03 113.62 109.37 1szd n SER 4 Ca -0.01 -1.86 0.09 0.00 -0.26 0.00 0.00 58.87 56.83 1szd n SER 4 Cb 0.35 1.11 0.49 0.00 -0.26 0.00 0.00 64.21 65.91 1szd n SER 4 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1szd h THR 5 N 1.46 0.64 -3.16 6.66 1.03 -2.03 -3.44 112.91 114.07 1szd h THR 5 Ca -0.12 -1.08 -0.53 0.00 -0.01 0.00 0.00 66.41 64.67 1szd h THR 5 Cb 0.53 1.71 0.06 0.00 -1.07 0.00 0.00 68.15 69.38 1szd h THR 5 CO 0.16 0.23 0.83 0.00 -0.01 0.00 0.00 175.52 176.74 1szd s ALA 6 N -3.77 3.71 0.02 0.00 0.00 -1.26 -4.98 121.76 115.48 1szd s ALA 6 Ca -0.00 1.39 -0.20 0.00 0.00 0.00 0.00 51.96 53.15 1szd s ALA 6 Cb 0.11 -3.60 -0.06 0.00 0.00 0.00 0.00 23.12 19.58 1szd s ALA 6 CO 0.64 -0.80 0.58 0.45 0.00 0.00 0.00 175.76 176.63 1szd s SER 7 N 0.67 7.00 0.00 0.00 0.15 -1.26 -4.88 113.70 115.38 1szd s SER 7 Ca 0.64 1.18 0.16 0.00 0.70 0.00 0.00 55.95 58.64 1szd s SER 7 Cb -0.44 -2.36 0.23 0.00 -1.71 0.00 0.00 66.02 61.75 1szd s SER 7 CO 0.40 0.16 1.14 0.35 1.20 0.00 0.00 173.24 176.48 1szd n THR 8 N 2.39 0.32 -0.37 6.45 -2.24 -1.26 -4.60 114.28 114.97 1szd n THR 8 Ca -0.08 -0.66 0.03 0.00 -2.27 0.00 0.00 64.05 61.07 1szd n THR 8 Cb 0.51 1.07 0.19 0.00 -2.10 0.00 0.00 70.33 70.00 1szd n THR 8 CO 0.00 0.00 0.00 -0.33 -0.57 0.00 0.00 175.07 174.17 1szd h GLU 9 N 3.15 1.12 -0.49 -0.78 5.08 -1.98 -0.34 114.58 120.34 1szd h GLU 9 Ca 0.00 -0.07 -0.07 0.00 -1.00 0.00 0.00 59.36 58.22 1szd h GLU 9 Cb 0.74 -0.25 -0.02 0.00 0.50 0.00 0.00 28.75 29.72 1szd h GLU 9 CO 0.00 0.74 0.01 0.52 -1.00 0.00 0.00 179.01 179.28 1szd h MET 10 N 1.15 0.85 -0.58 2.33 2.86 -2.00 0.12 114.93 119.67 1szd h MET 10 Ca 0.44 -0.26 -0.06 0.00 -2.06 0.00 0.00 59.70 57.76 1szd h MET 10 Cb 0.21 -0.08 -0.02 0.00 0.06 0.00 0.00 31.60 31.76 1szd h MET 10 CO -0.18 0.89 0.15 0.77 1.06 0.00 0.00 176.91 179.59 1szd h SER 11 N 0.71 0.88 0.07 1.22 0.02 -1.74 -2.22 113.55 112.49 1szd h SER 11 Ca 0.14 -0.23 -0.07 0.00 -0.84 0.00 0.00 61.79 60.79 1szd h SER 11 Cb 0.49 -0.23 -0.01 0.00 0.14 0.00 0.00 62.40 62.79 1szd h SER 11 CO 0.02 0.88 -0.22 0.58 -1.14 0.00 0.00 176.83 176.96 1szd h VAL 12 N 0.84 1.22 -0.65 2.27 2.07 -0.84 -2.75 116.25 118.41 1szd h VAL 12 Ca 0.18 -1.03 0.07 0.00 0.82 0.00 0.00 66.70 66.74 1szd h VAL 12 Cb 0.34 1.35 -0.06 0.00 -1.52 0.00 0.00 31.29 31.40 1szd h VAL 12 CO 0.00 0.32 0.34 0.03 0.02 0.00 0.00 177.57 178.28 1szd h ARG 13 N 0.24 0.60 -0.38 1.57 3.08 -0.13 -2.12 114.38 117.24 1szd h ARG 13 Ca 0.04 -0.04 0.06 0.00 0.07 0.00 0.00 59.98 60.12 1szd h ARG 13 Cb 0.52 -0.14 -0.05 0.00 0.08 0.00 0.00 29.97 30.38 1szd h ARG 13 CO 0.04 0.40 0.06 0.87 -1.07 0.00 0.00 179.97 180.27 1szd h LYS 14 N 0.62 0.18 -0.35 0.04 1.57 -1.29 0.21 116.57 117.55 1szd h LYS 14 Ca 0.30 -0.01 0.06 0.00 -1.87 0.00 0.00 60.65 59.13 1szd h LYS 14 Cb 0.24 -0.04 -0.05 0.00 0.08 0.00 0.00 32.23 32.46 1szd h LYS 14 CO -0.21 0.12 0.04 0.82 -0.57 0.00 0.00 179.45 179.64 1szd h ILE 15 N 0.18 0.78 -0.65 1.86 2.04 -1.43 0.30 117.51 120.59 1szd h ILE 15 Ca 0.19 -0.05 -0.03 0.00 1.00 0.00 0.00 64.86 65.97 1szd h ILE 15 Cb 0.23 0.63 -0.03 0.00 -0.74 0.00 0.00 36.82 36.91 1szd h ILE 15 CO -0.26 0.03 0.29 0.00 0.00 0.00 0.00 178.15 178.21 1szd h ALA 16 N 1.28 1.28 -0.49 1.87 0.00 -0.92 -1.67 119.26 120.61 1szd h ALA 16 Ca 0.17 -0.15 -0.04 0.00 0.00 0.00 0.00 54.91 54.88 1szd h ALA 16 Cb 0.21 -0.26 -0.02 0.00 0.00 0.00 0.00 17.79 17.72 1szd h ALA 16 CO -0.25 0.55 0.13 0.00 0.00 0.00 0.00 179.25 179.68 1szd h ALA 17 N 1.39 0.65 -0.34 0.00 0.00 0.89 -0.23 119.26 121.61 1szd h ALA 17 Ca 0.22 -0.20 0.00 0.00 0.00 0.00 0.00 54.91 54.94 1szd h ALA 17 Cb 0.13 -0.19 -0.02 0.00 0.00 0.00 0.00 17.79 17.72 1szd h ALA 17 CO -0.03 0.33 0.23 1.25 0.00 0.00 0.00 179.25 181.03 1szd h HIS 18 N 0.67 0.43 -0.37 0.00 6.17 0.01 -0.68 115.15 121.38 1szd h HIS 18 Ca 0.16 0.01 -0.06 0.00 0.71 0.00 0.00 60.37 61.19 1szd h HIS 18 Cb 0.31 -0.15 -0.02 0.00 2.52 0.00 0.00 27.41 30.07 1szd h HIS 18 CO 0.02 0.28 -0.01 0.52 0.71 0.00 0.00 177.93 179.44 1szd h MET 19 N 0.46 0.59 -0.05 5.26 2.86 -1.09 -1.03 114.93 121.93 1szd h MET 19 Ca 0.13 -0.14 -0.13 0.00 -2.06 0.00 0.00 59.70 57.50 1szd h MET 19 Cb -0.05 -0.08 -0.01 0.00 0.06 0.00 0.00 31.60 31.52 1szd h MET 19 CO -0.03 0.62 -0.55 0.87 1.06 0.00 0.00 176.91 178.89 1szd h LYS 20 N 0.56 0.16 0.01 1.72 1.57 -0.52 -2.78 116.57 117.29 1szd h LYS 20 Ca 0.12 -0.10 -0.20 0.00 -1.87 0.00 0.00 60.65 58.60 1szd h LYS 20 Cb 0.38 0.01 -0.02 0.00 0.08 0.00 0.00 32.23 32.68 1szd h LYS 20 CO 0.01 0.67 -0.90 0.77 -0.57 0.00 0.00 179.45 179.43 1szd h SER 21 N 0.12 0.15 -2.33 0.86 0.02 -0.72 -3.34 113.55 108.31 1szd h SER 21 Ca -0.00 -0.13 -0.64 0.00 -0.84 0.00 0.00 61.79 60.17 1szd h SER 21 Cb 1.01 -0.05 -0.39 0.00 0.14 0.00 0.00 62.40 63.11 1szd h SER 21 CO 0.08 0.97 -0.28 0.59 -1.14 0.00 0.00 176.83 177.04 1szd n ASN 22 N -3.58 4.54 -0.16 3.07 3.02 -0.43 -4.83 115.26 116.89 1szd n ASN 22 Ca -0.02 -3.50 0.16 0.00 -0.03 0.00 0.00 54.58 51.19 1szd n ASN 22 Cb 0.83 -0.78 0.52 0.00 -0.61 0.00 0.00 39.78 39.74 1szd n ASN 22 CO 0.00 0.00 0.00 1.55 -2.62 0.00 0.00 177.26 176.19 1szd h PRO 23 N 4.17 0.37 -0.59 3.52 0.13 -1.63 -1.34 132.00 136.63 1szd h PRO 23 Ca 0.20 -0.02 0.00 0.00 -0.87 0.00 0.00 66.00 65.31 1szd h PRO 23 Cb 0.61 -0.08 0.00 0.00 0.13 0.00 0.00 31.00 31.65 1szd h PRO 23 CO 0.94 0.24 0.00 0.09 -0.23 0.00 0.00 178.00 179.04 1szd n ASN 24 N -4.47 3.34 -4.93 1.44 4.13 -1.26 -4.93 115.26 108.58 1szd n ASN 24 Ca 0.14 -2.26 -0.25 0.00 1.68 0.00 0.00 54.58 53.89 1szd n ASN 24 Cb 0.55 -0.46 0.02 0.00 -1.54 0.00 0.00 39.78 38.36 1szd n ASN 24 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 1szd s ALA 25 N -1.68 3.45 0.31 5.41 0.00 -0.51 -4.88 121.76 123.86 1szd s ALA 25 Ca 0.35 -0.80 0.05 0.00 0.00 0.00 0.00 51.96 51.56 1szd s ALA 25 Cb 0.22 -2.45 -0.06 0.00 0.00 0.00 0.00 23.12 20.82 1szd s ALA 25 CO 0.18 -0.64 0.01 0.15 0.00 0.00 0.00 175.76 175.46 1szd s LYS 26 N -4.84 1.60 0.03 0.00 1.02 -1.26 -4.73 119.74 111.56 1szd s LYS 26 Ca 0.52 -1.86 0.07 0.00 0.02 0.00 0.00 55.97 54.72 1szd s LYS 26 Cb -0.10 -0.98 -0.02 0.00 -0.52 0.00 0.00 37.83 36.20 1szd s LYS 26 CO 0.43 -0.10 -0.21 0.08 -0.92 0.00 0.00 175.35 174.63 1szd s VAL 27 N -3.18 1.69 -0.16 3.17 1.01 0.38 -3.03 120.40 120.29 1szd s VAL 27 Ca 0.33 -1.12 -0.03 0.00 0.00 0.00 0.00 61.98 61.16 1szd s VAL 27 Cb 0.07 -1.45 -0.02 0.00 0.00 0.00 0.00 36.38 34.97 1szd s VAL 27 CO 0.14 0.29 -0.05 -0.63 0.00 0.00 0.00 175.10 174.85 1szd s ILE 28 N -0.71 3.72 0.00 2.22 1.01 -0.27 -0.66 121.20 126.51 1szd s ILE 28 Ca 0.08 -0.42 0.01 0.00 0.00 0.00 0.00 60.65 60.33 1szd s ILE 28 Cb -0.09 -2.63 -0.04 0.00 0.01 0.00 0.00 42.46 39.72 1szd s ILE 28 CO 0.01 0.49 0.02 -0.36 0.00 0.00 0.00 174.94 175.10 1szd s PHE 29 N 0.47 3.11 -0.17 3.97 0.40 -0.19 -0.87 117.98 124.70 1szd s PHE 29 Ca -0.04 0.10 -0.01 0.00 -0.60 0.00 0.00 56.93 56.37 1szd s PHE 29 Cb -0.15 -1.67 0.05 0.00 0.51 0.00 0.00 43.02 41.75 1szd s PHE 29 CO 0.03 0.48 -0.03 -1.64 0.70 0.00 0.00 175.22 174.76 1szd s MET 30 N -1.63 1.19 0.17 0.44 -1.94 -0.52 -0.12 119.30 116.89 1szd s MET 30 Ca 0.20 -0.46 0.08 0.00 -1.71 0.00 0.00 55.69 53.81 1szd s MET 30 Cb -0.12 -1.95 -0.04 0.00 2.01 0.00 0.00 34.83 34.73 1szd s MET 30 CO 0.11 -0.47 -0.17 0.14 -0.01 0.00 0.00 175.02 174.62 1szd s VAL 31 N 1.70 1.75 0.00 -6.03 -7.23 0.31 -0.51 120.40 110.40 1szd s VAL 31 Ca 0.00 -2.00 0.00 0.00 -1.81 0.00 0.00 61.98 58.18 1szd s VAL 31 Cb -0.16 -1.88 0.00 0.00 0.56 0.00 0.00 36.38 34.90 1szd s VAL 31 CO -0.07 -0.42 0.00 0.61 -0.31 0.00 0.00 175.10 174.91 1szd n GLY 32 N 0.09 4.78 0.35 2.32 0.00 -0.67 -1.88 105.19 110.17 1szd n GLY 32 Ca -0.12 -1.84 0.18 0.00 0.00 0.00 0.00 46.02 44.25 1szd n GLY 32 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1szd h ALA 33 N 1.00 1.80 -0.24 4.61 0.00 -1.78 -2.55 119.26 122.11 1szd h ALA 33 Ca 0.00 -0.01 0.05 0.00 0.00 0.00 0.00 54.91 54.95 1szd h ALA 33 Cb 0.00 0.02 -0.01 0.00 0.00 0.00 0.00 17.79 17.80 1szd h ALA 33 CO 0.00 -0.38 0.16 0.78 0.00 0.00 0.00 179.25 179.82 1szd h GLY 34 N 0.00 0.12 1.78 0.00 0.00 -1.15 -1.95 103.07 101.87 1szd h GLY 34 Ca 0.10 -0.04 0.00 0.00 0.00 0.00 0.00 47.33 47.39 1szd h GLY 34 CO -0.00 0.03 0.00 0.29 0.00 0.00 0.00 176.54 176.86 1szd n ILE 35 N -4.49 0.29 0.38 2.60 -5.35 -0.96 -2.99 119.36 108.85 1szd n ILE 35 Ca 0.02 0.07 0.05 0.00 -0.27 0.00 0.00 62.75 62.62 1szd n ILE 35 Cb 0.24 -0.67 0.05 0.00 -1.74 0.00 0.00 39.64 37.52 1szd n ILE 35 CO 0.00 0.00 0.00 -1.20 -1.76 0.00 0.00 176.55 173.59 1szd n SER 36 N -1.39 1.89 -0.31 7.28 7.64 -0.74 -4.62 113.62 123.36 1szd n SER 36 Ca 0.09 -1.45 -0.04 0.00 1.01 0.00 0.00 58.87 58.48 1szd n SER 36 Cb 0.23 -0.01 0.08 0.00 -1.01 0.00 0.00 64.21 63.50 1szd n SER 36 CO 0.00 0.00 0.00 0.71 -3.01 0.00 0.00 175.04 172.74 1szd h THR 37 N 1.95 1.23 0.00 0.44 1.35 -1.43 -1.49 112.91 114.96 1szd h THR 37 Ca 0.00 -0.48 0.00 0.00 -0.55 0.00 0.00 66.41 65.38 1szd h THR 37 Cb 0.43 0.02 0.00 0.00 -1.73 0.00 0.00 68.15 66.87 1szd h THR 37 CO 0.00 0.23 0.00 -1.54 -0.25 0.00 0.00 175.52 173.96 1szd n SER 38 N -4.45 0.47 0.00 5.36 3.41 -1.26 -1.62 113.62 115.52 1szd n SER 38 Ca 0.09 0.66 0.13 0.00 -0.26 0.00 0.00 58.87 59.48 1szd n SER 38 Cb 0.04 -0.74 0.56 0.00 -0.26 0.00 0.00 64.21 63.81 1szd n SER 38 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1szd n GLY 40 N 1.20 0.63 3.68 0.00 0.00 -0.64 -4.66 105.19 105.39 1szd n GLY 40 Ca 0.06 -0.25 -0.42 0.00 0.00 0.00 0.00 46.02 45.41 1szd n GLY 40 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1szd s ILE 41 N -2.00 3.61 0.19 -0.61 1.01 -1.26 -4.96 121.20 117.19 1szd s ILE 41 Ca 0.00 0.92 -0.30 0.00 0.00 0.00 0.00 60.65 61.27 1szd s ILE 41 Cb 0.00 -3.59 -0.08 0.00 0.01 0.00 0.00 42.46 38.80 1szd s ILE 41 CO 0.00 -0.03 1.20 -2.16 0.00 0.00 0.00 174.94 173.95 1szd s PRO 42 N 3.04 4.49 -0.35 2.79 0.04 -1.26 -4.89 135.00 138.86 1szd s PRO 42 Ca 0.68 1.88 -0.28 0.00 0.04 0.00 0.00 61.00 63.32 1szd s PRO 42 Cb -0.32 -3.23 0.02 0.00 0.04 0.00 0.00 34.50 31.00 1szd s PRO 42 CO 0.27 -0.09 1.05 0.34 0.04 0.00 0.00 177.00 178.61 1szd s ASP 43 N 0.10 6.84 0.47 6.66 -1.08 -1.26 -4.91 116.67 123.49 1szd s ASP 43 Ca 0.53 0.88 0.32 0.00 -0.52 0.00 0.00 52.55 53.75 1szd s ASP 43 Cb -0.33 -2.52 1.73 0.00 -1.46 0.00 0.00 42.92 40.33 1szd s ASP 43 CO 0.37 -0.91 1.98 2.19 0.52 0.00 0.00 175.17 179.31 1szd h PHE 44 N 8.31 0.00 -0.02 -5.34 -5.15 -1.95 -0.47 116.94 112.31 1szd h PHE 44 Ca -0.21 0.00 0.00 0.00 -0.20 0.00 0.00 57.97 57.56 1szd h PHE 44 Cb 1.06 0.00 0.00 0.00 0.22 0.00 0.00 35.95 37.23 1szd h PHE 44 CO 0.85 0.00 -0.14 0.54 -2.00 0.00 0.00 178.31 177.56 1szd n ARG 45 N -2.62 1.54 -3.61 6.09 1.74 -1.26 -4.33 116.66 114.20 1szd n ARG 45 Ca -0.02 -1.07 -0.38 0.00 -0.77 0.00 0.00 57.85 55.61 1szd n ARG 45 Cb 0.05 -1.48 -0.11 0.00 -1.02 0.00 0.00 32.46 29.90 1szd n ARG 45 CO 0.00 0.00 0.00 0.45 -1.52 0.00 0.00 177.63 176.56 1szd s SER 46 N -2.20 5.88 0.42 0.55 0.15 -0.19 -4.97 113.70 113.34 1szd s SER 46 Ca 0.29 -0.06 0.23 0.00 0.70 0.00 0.00 55.95 57.11 1szd s SER 46 Cb 0.20 -2.09 1.26 0.00 -1.71 0.00 0.00 66.02 63.67 1szd s SER 46 CO 0.41 -0.06 1.67 -0.65 1.20 0.00 0.00 173.24 175.81 1szd h PRO 47 N 8.36 0.00 0.00 5.44 0.11 -1.90 -1.98 132.00 142.02 1szd h PRO 47 Ca -0.35 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.76 1szd h PRO 47 Cb 1.19 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.30 1szd h PRO 47 CO 0.56 0.00 0.00 0.41 -0.21 0.00 0.00 178.00 178.76 1szd n GLY 48 N -1.25 -1.30 3.92 -0.55 0.00 -1.26 -4.80 105.19 99.94 1szd n GLY 48 Ca -0.02 -0.14 -0.31 0.00 0.00 0.00 0.00 46.02 45.56 1szd n GLY 48 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1szd s THR 49 N -2.61 5.33 0.35 2.61 -4.23 -0.75 -4.99 115.64 111.35 1szd s THR 49 Ca 0.27 -0.30 0.08 0.00 -1.18 0.00 0.00 61.69 60.55 1szd s THR 49 Cb 0.20 -3.64 0.12 0.00 1.34 0.00 0.00 72.50 70.52 1szd s THR 49 CO 0.46 0.09 1.83 1.23 -0.54 0.00 0.00 174.62 177.70 1szd h GLY 50 N 2.93 0.31 0.97 3.99 0.00 -1.89 -2.86 103.07 106.52 1szd h GLY 50 Ca -0.46 -0.22 -0.00 0.00 0.00 0.00 0.00 47.33 46.65 1szd h GLY 50 CO 0.75 0.20 0.09 -2.00 0.00 0.00 0.00 176.54 175.58 1szd h LEU 51 N 0.27 0.17 -0.40 3.11 5.85 -1.93 -0.25 115.31 122.13 1szd h LEU 51 Ca 0.05 -0.04 0.04 0.00 0.84 0.00 0.00 57.88 58.76 1szd h LEU 51 Cb 0.52 -0.04 -0.04 0.00 0.37 0.00 0.00 40.66 41.47 1szd h LEU 51 CO 0.03 0.17 0.16 0.22 -0.34 0.00 0.00 178.44 178.69 1szd h TYR 52 N 0.16 0.30 -0.11 1.25 3.20 -1.70 -1.14 116.97 118.93 1szd h TYR 52 Ca 0.05 0.02 -0.11 0.00 3.14 0.00 0.00 58.73 61.83 1szd h TYR 52 Cb 0.03 -0.08 -0.01 0.00 1.54 0.00 0.00 36.73 38.21 1szd h TYR 52 CO -0.05 0.13 -0.43 0.45 -1.64 0.00 0.00 178.16 176.62 1szd h HIS 53 N 0.34 0.30 -0.41 -3.82 3.86 -1.30 -0.43 115.15 113.70 1szd h HIS 53 Ca 0.18 -0.08 -0.06 0.00 -1.16 0.00 0.00 60.37 59.24 1szd h HIS 53 Cb 0.13 -0.07 -0.01 0.00 1.06 0.00 0.00 27.41 28.52 1szd h HIS 53 CO -0.13 0.64 0.01 -0.91 0.86 0.00 0.00 177.93 178.41 1szd h ASN 54 N 0.21 0.70 -0.63 2.45 2.35 -0.68 -0.19 115.58 119.79 1szd h ASN 54 Ca 0.02 -0.30 -0.07 0.00 -0.55 0.00 0.00 56.30 55.39 1szd h ASN 54 Cb 0.84 -0.19 -0.03 0.00 0.05 0.00 0.00 38.32 39.00 1szd h ASN 54 CO 0.07 0.82 0.12 -0.07 -1.65 0.00 0.00 177.43 176.72 1szd h LEU 55 N 0.55 1.00 -0.50 1.61 3.38 -0.95 -1.49 115.31 118.91 1szd h LEU 55 Ca 0.12 -0.23 -0.06 0.00 0.09 0.00 0.00 57.88 57.81 1szd h LEU 55 Cb 0.46 -0.27 -0.02 0.00 0.09 0.00 0.00 40.66 40.93 1szd h LEU 55 CO 0.02 0.99 0.10 0.00 0.09 0.00 0.00 178.44 179.64 1szd h ALA 56 N 1.13 0.67 0.00 1.53 0.00 -0.85 -2.00 119.26 119.73 1szd h ALA 56 Ca 0.20 -0.23 -0.05 0.00 0.00 0.00 0.00 54.91 54.84 1szd h ALA 56 Cb 0.41 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 18.00 1szd h ALA 56 CO 0.01 0.38 -0.22 0.00 0.00 0.00 0.00 179.25 179.43 1szd h ARG 57 N 0.70 0.00 -0.01 0.00 3.08 -0.75 -1.09 114.38 116.31 1szd h ARG 57 Ca 0.15 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.20 1szd h ARG 57 Cb 0.37 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.42 1szd h ARG 57 CO 0.01 0.22 0.00 1.28 -1.07 0.00 0.00 179.97 180.40 1szd n LEU 58 N -4.25 0.12 -0.65 3.04 4.77 -0.58 -4.89 117.00 114.56 1szd n LEU 58 Ca -0.02 -0.05 -0.07 0.00 -0.03 0.00 0.00 56.01 55.84 1szd n LEU 58 Cb 0.28 -0.01 -0.02 0.00 -2.33 0.00 0.00 43.42 41.34 1szd n LEU 58 CO 0.37 0.03 -0.08 0.29 -1.33 0.00 0.00 177.39 176.67 1szd n LYS 59 N -0.64 -0.51 -1.99 3.23 5.02 -0.41 -4.93 118.16 117.93 1szd n LYS 59 Ca 0.11 0.52 -0.42 0.00 -2.02 0.00 0.00 58.31 56.50 1szd n LYS 59 Cb 0.07 -4.36 -0.03 0.00 -0.02 0.00 0.00 35.03 30.69 1szd n LYS 59 CO 0.00 0.00 0.00 -1.17 -0.52 0.00 0.00 177.40 175.71 1szd s LEU 60 N -1.75 4.37 0.18 -0.35 2.96 -0.79 -4.91 118.68 118.39 1szd s LEU 60 Ca 0.00 2.57 -0.13 0.00 -0.22 0.00 0.00 54.13 56.35 1szd s LEU 60 Cb 0.00 -3.60 0.09 0.00 0.50 0.00 0.00 46.19 43.18 1szd s LEU 60 CO 0.00 -0.77 1.84 -0.65 -1.32 0.00 0.00 176.35 175.45 1szd h PRO 61 N 6.44 0.70 -2.52 0.98 0.11 -1.94 -3.44 132.00 132.32 1szd h PRO 61 Ca -0.43 -0.04 -0.05 0.00 0.11 0.00 0.00 66.00 65.58 1szd h PRO 61 Cb 1.21 -0.16 -0.16 0.00 0.11 0.00 0.00 31.00 32.00 1szd h PRO 61 CO 0.88 0.46 0.13 1.52 -0.21 0.00 0.00 178.00 180.78 1szd s TYR 62 N -6.15 -0.54 0.19 0.65 -0.85 -1.26 -5.08 117.35 104.32 1szd s TYR 62 Ca -0.13 0.70 -0.24 0.00 -0.52 0.00 0.00 57.07 56.87 1szd s TYR 62 Cb 0.13 0.41 0.08 0.00 0.38 0.00 0.00 41.96 42.96 1szd s TYR 62 CO 0.75 -0.67 1.55 -1.35 -1.52 0.00 0.00 175.55 174.31 1szd h PRO 63 N 2.72 -0.06 0.00 -3.49 0.11 -1.89 -1.49 132.00 127.90 1szd h PRO 63 Ca -0.30 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.81 1szd h PRO 63 Cb 1.20 0.01 0.00 0.00 0.11 0.00 0.00 31.00 32.33 1szd h PRO 63 CO 0.40 -0.04 0.00 0.39 -0.21 0.00 0.00 178.00 178.53 1szd n GLU 64 N -5.38 0.07 0.20 1.05 1.02 -1.26 -1.97 120.64 114.37 1szd n GLU 64 Ca 0.05 0.27 0.15 0.00 -0.02 0.00 0.00 57.16 57.61 1szd n GLU 64 Cb 0.34 -1.50 0.63 0.00 -0.02 0.00 0.00 31.44 30.89 1szd n GLU 64 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1szd h ALA 65 N 2.36 1.00 0.00 0.62 0.00 -1.67 -1.57 119.26 120.00 1szd h ALA 65 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 1szd h ALA 65 Cb 0.11 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.90 1szd h ALA 65 CO 0.00 0.00 0.00 -0.24 0.00 0.00 0.00 179.25 179.01 1szd h VAL 66 N 0.00 0.00 -0.42 0.00 3.04 -1.57 -2.17 116.25 115.13 1szd h VAL 66 Ca 0.00 -0.37 -0.28 0.00 -1.01 0.00 0.00 66.70 65.04 1szd h VAL 66 Cb 0.36 1.28 -0.19 0.00 -2.01 0.00 0.00 31.29 30.73 1szd h VAL 66 CO 0.00 0.00 -0.35 0.49 -1.01 0.00 0.00 177.57 176.70 1szd n PHE 67 N -2.85 1.44 -4.29 3.17 0.99 -0.59 -4.65 117.46 110.68 1szd n PHE 67 Ca 0.00 -1.87 -0.34 0.00 -0.00 0.00 0.00 57.45 55.24 1szd n PHE 67 Cb 0.25 -0.45 -0.14 0.00 -1.00 0.00 0.00 39.48 38.14 1szd n PHE 67 CO 0.00 0.00 0.00 0.34 -0.00 0.00 0.00 176.76 177.10 1szd s ASP 68 N -3.00 4.20 0.10 4.37 2.15 -0.82 -0.54 116.67 123.14 1szd s ASP 68 Ca 0.46 -0.35 -0.22 0.00 0.43 0.00 0.00 52.55 52.88 1szd s ASP 68 Cb 0.41 -1.69 -0.11 0.00 -0.30 0.00 0.00 42.92 41.23 1szd s ASP 68 CO -0.01 0.07 1.73 0.58 -0.17 0.00 0.00 175.17 177.38 1szd h VAL 69 N 5.54 0.95 -0.68 1.11 2.07 -1.88 0.18 116.25 123.54 1szd h VAL 69 Ca -0.35 -0.01 0.02 0.00 0.82 0.00 0.00 66.70 67.19 1szd h VAL 69 Cb 1.18 0.92 -0.04 0.00 -1.52 0.00 0.00 31.29 31.83 1szd h VAL 69 CO 0.59 0.00 0.43 0.44 0.02 0.00 0.00 177.57 179.06 1szd h ASP 70 N 0.03 0.73 -0.36 0.57 3.45 -1.95 -1.02 116.42 117.86 1szd h ASP 70 Ca 0.03 -0.01 -0.07 0.00 0.43 0.00 0.00 57.03 57.42 1szd h ASP 70 Cb 0.04 -0.17 -0.01 0.00 -0.56 0.00 0.00 39.33 38.63 1szd h ASP 70 CO -0.06 0.51 -0.03 0.15 -1.57 0.00 0.00 179.24 178.24 1szd h PHE 71 N 0.86 0.73 -0.46 4.55 3.57 -1.81 -2.49 116.94 121.90 1szd h PHE 71 Ca 0.27 -0.14 0.07 0.00 3.53 0.00 0.00 57.97 61.70 1szd h PHE 71 Cb -0.02 -0.19 -0.06 0.00 2.79 0.00 0.00 35.95 38.47 1szd h PHE 71 CO -0.04 0.78 0.10 0.35 -2.23 0.00 0.00 178.31 177.27 1szd h PHE 72 N 0.47 0.17 -0.21 0.41 3.57 -0.51 0.24 116.94 121.07 1szd h PHE 72 Ca 0.10 0.03 -0.02 0.00 3.53 0.00 0.00 57.97 61.60 1szd h PHE 72 Cb 0.51 -0.01 -0.01 0.00 2.79 0.00 0.00 35.95 39.23 1szd h PHE 72 CO 0.04 0.02 0.03 1.96 -2.23 0.00 0.00 178.31 178.13 1szd h GLN 73 N 0.24 0.30 0.00 1.11 4.20 -1.09 -1.51 115.11 118.36 1szd h GLN 73 Ca 0.22 -0.04 -0.15 0.00 0.06 0.00 0.00 58.65 58.74 1szd h GLN 73 Cb 0.28 -0.06 -0.02 0.00 0.30 0.00 0.00 27.48 27.98 1szd h GLN 73 CO -0.28 0.31 -0.77 0.66 -0.67 0.00 0.00 178.83 178.07 1szd h SER 74 N 0.30 0.00 -0.84 1.46 4.64 -0.75 -3.43 113.55 114.92 1szd h SER 74 Ca 0.07 0.00 0.03 0.00 -0.47 0.00 0.00 61.79 61.42 1szd h SER 74 Cb 0.16 0.00 -0.20 0.00 -0.31 0.00 0.00 62.40 62.06 1szd h SER 74 CO 0.00 0.71 -0.34 -0.62 -0.87 0.00 0.00 176.83 175.71 1szd s ASP 75 N -6.51 -1.34 0.08 4.97 2.15 0.71 -5.04 116.67 111.70 1szd s ASP 75 Ca 0.02 -0.19 0.25 0.00 0.43 0.00 0.00 52.55 53.06 1szd s ASP 75 Cb 0.09 1.78 0.99 0.00 -0.30 0.00 0.00 42.92 45.48 1szd s ASP 75 CO 0.78 -0.20 1.79 -0.81 -0.17 0.00 0.00 175.17 176.55 1szd n PRO 76 N 4.88 0.09 -0.13 4.34 -0.04 -0.62 -4.21 135.00 139.31 1szd n PRO 76 Ca 0.08 0.14 -0.05 0.00 -0.04 0.00 0.00 63.50 63.63 1szd n PRO 76 Cb 0.56 -1.62 0.03 0.00 -0.04 0.00 0.00 33.50 32.43 1szd n PRO 76 CO 0.00 0.00 0.00 1.25 -0.04 0.00 0.00 175.50 176.71 1szd h LEU 77 N 0.00 0.20 -0.58 1.53 5.85 -1.95 -1.50 115.31 118.86 1szd h LEU 77 Ca 0.00 0.04 0.08 0.00 0.84 0.00 0.00 57.88 58.84 1szd h LEU 77 Cb 0.51 0.01 -0.06 0.00 0.37 0.00 0.00 40.66 41.49 1szd h LEU 77 CO 0.00 0.15 0.25 -0.65 -0.34 0.00 0.00 178.44 177.85 1szd h PRO 78 N 0.35 0.44 -0.50 5.25 0.11 -1.92 0.79 132.00 136.51 1szd h PRO 78 Ca 0.19 -0.03 -0.04 0.00 0.11 0.00 0.00 66.00 66.23 1szd h PRO 78 Cb 0.15 -0.10 -0.02 0.00 0.11 0.00 0.00 31.00 31.14 1szd h PRO 78 CO -0.18 0.29 0.16 0.35 -0.21 0.00 0.00 178.00 178.42 1szd h PHE 79 N 0.45 0.80 -0.86 0.65 3.57 -1.73 -0.78 116.94 119.05 1szd h PHE 79 Ca 0.28 -0.08 0.03 0.00 3.53 0.00 0.00 57.97 61.73 1szd h PHE 79 Cb 0.29 -0.23 -0.05 0.00 2.79 0.00 0.00 35.95 38.75 1szd h PHE 79 CO -0.14 0.70 0.57 1.88 -2.23 0.00 0.00 178.31 179.08 1szd h TYR 80 N 0.68 1.05 -0.52 0.41 -1.99 -0.62 0.19 116.97 116.17 1szd h TYR 80 Ca 0.16 0.03 -0.04 0.00 2.00 0.00 0.00 58.73 60.88 1szd h TYR 80 Cb 0.27 -0.35 -0.02 0.00 2.00 0.00 0.00 36.73 38.62 1szd h TYR 80 CO 0.01 0.63 0.17 1.15 -0.00 0.00 0.00 178.16 180.12 1szd h THR 81 N 1.10 1.23 -0.49 -2.88 2.02 -0.34 -1.17 112.91 112.38 1szd h THR 81 Ca 0.33 -0.75 -0.10 0.00 0.77 0.00 0.00 66.41 66.66 1szd h THR 81 Cb -0.02 0.74 -0.02 0.00 -1.74 0.00 0.00 68.15 67.11 1szd h THR 81 CO -0.09 0.28 -0.07 0.25 0.37 0.00 0.00 175.52 176.25 1szd h LEU 82 N 0.71 0.91 -1.18 2.58 6.46 -0.43 -2.96 115.31 121.40 1szd h LEU 82 Ca 0.17 -0.34 -0.01 0.00 -0.12 0.00 0.00 57.88 57.57 1szd h LEU 82 Cb 0.26 -0.25 -0.03 0.00 -0.73 0.00 0.00 40.66 39.91 1szd h LEU 82 CO -0.01 1.04 0.37 0.00 -0.62 0.00 0.00 178.44 179.22 1szd h ALA 83 N 0.90 1.37 -0.71 1.25 0.00 -0.36 0.38 119.26 122.10 1szd h ALA 83 Ca 0.13 -0.11 -0.01 0.00 0.00 0.00 0.00 54.91 54.92 1szd h ALA 83 Cb 0.62 -0.27 -0.03 0.00 0.00 0.00 0.00 17.79 18.10 1szd h ALA 83 CO 0.04 0.51 0.40 -0.22 0.00 0.00 0.00 179.25 179.98 1szd h LYS 84 N 0.94 0.98 0.08 0.00 3.64 -1.06 0.37 116.57 121.52 1szd h LYS 84 Ca 0.24 -0.11 -0.25 0.00 -1.27 0.00 0.00 60.65 59.26 1szd h LYS 84 Cb 0.03 -0.20 0.00 0.00 -0.41 0.00 0.00 32.23 31.65 1szd h LYS 84 CO -0.04 0.72 -1.12 1.49 -2.27 0.00 0.00 179.45 178.23 1szd h GLU 85 N 0.97 0.28 -0.54 1.90 4.81 -1.31 -3.34 114.58 117.35 1szd h GLU 85 Ca 0.25 -0.40 0.00 0.00 -0.13 0.00 0.00 59.36 59.08 1szd h GLU 85 Cb 0.01 0.14 0.00 0.00 0.63 0.00 0.00 28.75 29.53 1szd h GLU 85 CO -0.04 1.15 0.00 1.28 -0.73 0.00 0.00 179.01 180.67 1szd n LEU 86 N -3.58 3.62 -4.67 1.64 4.77 0.08 -4.96 117.00 113.89 1szd n LEU 86 Ca -0.07 -1.77 -0.46 0.00 -0.03 0.00 0.00 56.01 53.69 1szd n LEU 86 Cb 0.95 -0.35 -0.04 0.00 -2.33 0.00 0.00 43.42 41.65 1szd n LEU 86 CO 0.52 0.85 1.11 0.00 -1.33 0.00 0.00 177.39 178.54 1szd n TYR 87 N 1.46 2.20 -1.63 -1.77 9.36 0.11 -4.86 117.16 122.03 1szd n TYR 87 Ca 0.21 0.35 -0.43 0.00 3.32 0.00 0.00 57.90 61.34 1szd n TYR 87 Cb 0.59 -2.50 -0.01 0.00 -0.63 0.00 0.00 39.34 36.79 1szd n TYR 87 CO 0.00 0.00 0.00 -2.30 0.22 0.00 0.00 176.86 174.78 1szd n PRO 88 N 2.82 1.65 0.00 2.98 -0.02 -1.26 -2.38 135.00 138.79 1szd n PRO 88 Ca 0.15 0.58 0.00 0.00 -2.02 0.00 0.00 63.50 62.21 1szd n PRO 88 Cb 0.29 -2.05 0.00 0.00 -0.02 0.00 0.00 33.50 31.73 1szd n PRO 88 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1szd n GLY 89 N 1.04 1.52 0.05 -1.23 0.00 -1.26 -4.91 105.19 100.40 1szd n GLY 89 Ca 0.08 0.00 0.13 0.00 0.00 0.00 0.00 46.02 46.22 1szd n GLY 89 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1szd n ASN 90 N 0.00 0.51 -4.17 1.61 3.02 -1.00 -4.90 115.26 110.32 1szd n ASN 90 Ca 0.00 0.31 -0.25 0.00 -0.03 0.00 0.00 54.58 54.61 1szd n ASN 90 Cb 0.00 -0.31 -0.08 0.00 -0.61 0.00 0.00 39.78 38.78 1szd n ASN 90 CO 0.00 0.00 0.00 -0.36 -2.62 0.00 0.00 177.26 174.28 1szd s PHE 91 N -3.07 1.80 0.07 3.10 0.40 -1.26 -5.12 117.98 113.90 1szd s PHE 91 Ca 0.11 -1.24 0.07 0.00 -0.60 0.00 0.00 56.93 55.27 1szd s PHE 91 Cb 0.15 -1.17 -0.03 0.00 0.51 0.00 0.00 43.02 42.48 1szd s PHE 91 CO 0.63 -0.25 -0.19 1.03 0.70 0.00 0.00 175.22 177.13 1szd s ARG 92 N -3.74 1.13 0.60 0.44 1.81 -1.26 -5.12 118.95 112.81 1szd s ARG 92 Ca 0.25 -1.00 -0.18 0.00 -1.72 0.00 0.00 55.73 53.08 1szd s ARG 92 Cb 0.03 -1.27 -0.05 0.00 -0.45 0.00 0.00 34.95 33.21 1szd s ARG 92 CO 0.14 0.31 0.97 -2.30 -0.68 0.00 0.00 175.30 173.74 1szd n PRO 93 N 1.48 0.91 -2.43 3.54 -0.02 -1.26 -4.75 135.00 132.46 1szd n PRO 93 Ca -0.19 0.35 -0.24 0.00 -2.02 0.00 0.00 63.50 61.41 1szd n PRO 93 Cb 0.54 -2.17 0.07 0.00 -0.02 0.00 0.00 33.50 31.91 1szd n PRO 93 CO 0.00 0.00 0.00 -1.54 1.98 0.00 0.00 175.50 175.94 1szd s SER 94 N -1.24 4.86 0.34 2.55 1.04 -1.26 -4.93 113.70 115.05 1szd s SER 94 Ca 0.76 0.12 0.03 0.00 0.48 0.00 0.00 55.95 57.34 1szd s SER 94 Cb -0.42 -0.80 0.64 0.00 0.10 0.00 0.00 66.02 65.55 1szd s SER 94 CO 0.47 -1.50 1.96 0.50 0.98 0.00 0.00 173.24 175.65 1szd h LYS 95 N -0.35 0.85 -0.65 4.02 3.64 -1.92 -1.08 116.57 121.08 1szd h LYS 95 Ca -0.42 -0.05 -0.09 0.00 -1.27 0.00 0.00 60.65 58.82 1szd h LYS 95 Cb 1.30 -0.19 -0.02 0.00 -0.41 0.00 0.00 32.23 32.90 1szd h LYS 95 CO 0.53 0.56 0.07 0.35 -2.27 0.00 0.00 179.45 178.69 1szd h PHE 96 N 0.88 1.18 -0.93 1.91 3.57 -1.87 -1.32 116.94 120.36 1szd h PHE 96 Ca 0.31 -0.18 0.01 0.00 3.53 0.00 0.00 57.97 61.65 1szd h PHE 96 Cb 0.14 -0.32 -0.05 0.00 2.79 0.00 0.00 35.95 38.51 1szd h PHE 96 CO -0.00 1.01 0.62 0.45 -2.23 0.00 0.00 178.31 178.15 1szd h HIS 97 N 1.02 1.16 0.00 0.41 3.86 -1.53 -0.77 115.15 119.30 1szd h HIS 97 Ca 0.19 0.03 -0.06 0.00 -1.16 0.00 0.00 60.37 59.37 1szd h HIS 97 Cb 0.49 -0.39 -0.01 0.00 1.06 0.00 0.00 27.41 28.56 1szd h HIS 97 CO 0.04 0.72 -0.31 1.88 0.86 0.00 0.00 177.93 181.12 1szd h TYR 98 N 1.25 0.00 -0.71 2.45 -1.99 -0.90 -2.29 116.97 114.78 1szd h TYR 98 Ca 0.35 0.00 -0.04 0.00 2.00 0.00 0.00 58.73 61.03 1szd h TYR 98 Cb -0.12 0.00 -0.03 0.00 2.00 0.00 0.00 36.73 38.58 1szd h TYR 98 CO -0.00 0.31 0.28 1.25 -0.00 0.00 0.00 178.16 180.00 1szd h LEU 99 N 0.00 0.96 -0.90 3.88 5.85 -0.00 0.52 115.31 125.62 1szd h LEU 99 Ca -0.00 -0.14 -0.01 0.00 0.84 0.00 0.00 57.88 58.57 1szd h LEU 99 Cb 0.69 -0.25 -0.04 0.00 0.37 0.00 0.00 40.66 41.42 1szd h LEU 99 CO 0.04 0.86 0.54 -0.07 -0.34 0.00 0.00 178.44 179.47 1szd h LEU 100 N 1.02 1.09 -0.70 2.25 3.38 -1.08 -0.01 115.31 121.25 1szd h LEU 100 Ca 0.24 -0.07 -0.09 0.00 0.09 0.00 0.00 57.88 58.04 1szd h LEU 100 Cb 0.20 -0.27 -0.02 0.00 0.09 0.00 0.00 40.66 40.65 1szd h LEU 100 CO -0.02 0.84 -0.01 0.50 0.09 0.00 0.00 178.44 179.83 1szd h LYS 101 N 1.24 0.99 -0.09 1.13 1.63 -1.17 -1.46 116.57 118.83 1szd h LYS 101 Ca 0.32 -0.31 -0.00 0.00 -0.85 0.00 0.00 60.65 59.81 1szd h LYS 101 Cb -0.04 -0.09 -0.00 0.00 -0.60 0.00 0.00 32.23 31.49 1szd h LYS 101 CO -0.06 0.98 0.05 1.25 -3.45 0.00 0.00 179.45 178.22 1szd h LEU 102 N 0.90 0.12 -1.49 5.20 5.85 -0.16 -0.23 115.31 125.50 1szd h LEU 102 Ca 0.16 -0.09 0.04 0.00 0.84 0.00 0.00 57.88 58.83 1szd h LEU 102 Cb 0.55 -0.03 -0.03 0.00 0.37 0.00 0.00 40.66 41.51 1szd h LEU 102 CO 0.03 0.18 0.38 -0.26 -0.34 0.00 0.00 178.44 178.43 1szd h PHE 103 N 0.05 0.64 -0.11 1.25 -1.00 -0.85 0.13 116.94 117.05 1szd h PHE 103 Ca 0.03 0.02 -0.01 0.00 2.81 0.00 0.00 57.97 60.81 1szd h PHE 103 Cb 0.09 -0.21 -0.00 0.00 3.61 0.00 0.00 35.95 39.43 1szd h PHE 103 CO -0.04 0.37 0.02 0.37 -1.61 0.00 0.00 178.31 177.41 1szd h GLN 104 N 0.66 0.19 -0.75 1.51 4.15 -0.72 0.13 115.11 120.28 1szd h GLN 104 Ca 0.23 -0.05 0.06 0.00 0.77 0.00 0.00 58.65 59.66 1szd h GLN 104 Cb 0.11 -0.02 -0.05 0.00 0.21 0.00 0.00 27.48 27.74 1szd h GLN 104 CO -0.06 0.39 0.49 -0.44 -1.93 0.00 0.00 178.83 177.28 1szd h ASP 105 N -0.05 0.71 -0.03 -0.69 3.32 0.07 0.12 116.42 119.88 1szd h ASP 105 Ca 0.03 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.09 1szd h ASP 105 Cb 0.29 -0.15 0.00 0.00 0.22 0.00 0.00 39.33 39.69 1szd h ASP 105 CO 0.00 0.46 0.00 0.29 -1.72 0.00 0.00 179.24 178.28 1szd n LYS 106 N -4.48 1.29 -3.34 3.56 4.76 -0.07 -4.91 118.16 114.96 1szd n LYS 106 Ca 0.11 -0.42 -0.24 0.00 -2.87 0.00 0.00 58.31 54.89 1szd n LYS 106 Cb 0.20 -1.44 0.05 0.00 -1.84 0.00 0.00 35.03 32.00 1szd n LYS 106 CO 0.00 0.00 0.00 -3.47 -1.37 0.00 0.00 177.40 172.56 1szd n ASP 107 N -0.45 -5.89 -0.29 4.39 2.03 0.42 -4.88 116.55 111.88 1szd n ASP 107 Ca 0.19 -0.44 0.06 0.00 0.52 0.00 0.00 54.79 55.13 1szd n ASP 107 Cb 0.20 -4.71 0.12 0.00 -0.72 0.00 0.00 41.12 36.00 1szd n ASP 107 CO 0.00 0.00 0.00 1.33 -1.92 0.00 0.00 177.20 176.61 1szd n VAL 108 N -4.66 1.50 -3.66 5.18 0.24 0.36 -4.89 118.33 112.39 1szd n VAL 108 Ca -0.05 -1.54 -0.38 0.00 -2.04 0.00 0.00 64.34 60.33 1szd n VAL 108 Cb 0.58 0.14 -0.12 0.00 -1.47 0.00 0.00 33.84 32.98 1szd n VAL 108 CO 0.00 0.00 0.00 -0.22 -2.14 0.00 0.00 176.83 174.47 1szd s LEU 109 N -1.89 4.08 -0.11 1.34 2.96 -1.18 -0.47 118.68 123.41 1szd s LEU 109 Ca 0.21 -0.53 -0.14 0.00 -0.22 0.00 0.00 54.13 53.45 1szd s LEU 109 Cb 0.17 -1.99 -0.27 0.00 0.50 0.00 0.00 46.19 44.60 1szd s LEU 109 CO 0.05 -0.19 0.49 0.50 -1.32 0.00 0.00 176.35 175.89 1szd h LYS 110 N 8.34 0.24 -1.61 1.98 1.63 -1.22 -3.46 116.57 122.47 1szd h LYS 110 Ca -0.32 -0.41 0.17 0.00 -0.85 0.00 0.00 60.65 59.24 1szd h LYS 110 Cb 1.15 0.15 -0.21 0.00 -0.60 0.00 0.00 32.23 32.72 1szd h LYS 110 CO 0.61 1.19 0.69 0.50 -3.45 0.00 0.00 179.45 178.99 1szd s ARG 111 N -2.49 0.46 -0.14 1.90 6.06 -1.22 -4.85 118.95 118.68 1szd s ARG 111 Ca -0.21 -0.05 -0.01 0.00 -2.50 0.00 0.00 55.73 52.96 1szd s ARG 111 Cb 0.05 0.22 0.04 0.00 0.06 0.00 0.00 34.95 35.31 1szd s ARG 111 CO 0.76 -0.18 -0.05 0.54 -2.50 0.00 0.00 175.30 173.87 1szd s VAL 112 N -1.95 0.99 -0.25 7.11 0.11 0.30 -1.03 120.40 125.69 1szd s VAL 112 Ca 0.05 -0.45 -0.13 0.00 -2.93 0.00 0.00 61.98 58.52 1szd s VAL 112 Cb -0.01 -1.13 -0.04 0.00 -1.53 0.00 0.00 36.38 33.67 1szd s VAL 112 CO -0.04 0.20 0.28 -0.31 -3.33 0.00 0.00 175.10 171.90 1szd s TYR 113 N 1.70 3.28 -0.01 1.54 1.51 0.83 -1.09 117.35 125.11 1szd s TYR 113 Ca 0.02 0.33 0.06 0.00 -1.01 0.00 0.00 57.07 56.48 1szd s TYR 113 Cb -0.14 -2.44 -0.02 0.00 -0.11 0.00 0.00 41.96 39.25 1szd s TYR 113 CO -0.08 -0.10 -0.19 -0.08 -1.11 0.00 0.00 175.55 173.99 1szd s THR 114 N 1.60 1.50 -2.46 -0.71 -1.32 -0.32 -0.53 115.64 113.40 1szd s THR 114 Ca 0.12 -0.86 0.21 0.00 -1.21 0.00 0.00 61.69 59.95 1szd s THR 114 Cb -0.15 -1.26 0.27 0.00 -1.51 0.00 0.00 72.50 69.85 1szd s THR 114 CO 0.08 0.39 1.26 0.00 -2.21 0.00 0.00 174.62 174.14 1szd n GLN 115 N 2.51 2.17 -2.56 7.08 10.64 -0.79 -1.43 117.38 135.00 1szd n GLN 115 Ca -0.15 -1.97 -0.33 0.00 -1.83 0.00 0.00 57.00 52.72 1szd n GLN 115 Cb 0.53 -1.44 -0.04 0.00 -0.86 0.00 0.00 30.24 28.43 1szd n GLN 115 CO 0.00 0.00 0.00 -0.80 -1.83 0.00 0.00 177.06 174.43 1szd s ASN 116 N -1.60 6.62 -0.13 2.61 0.01 -1.26 -4.59 114.94 116.60 1szd s ASN 116 Ca 0.30 1.71 0.15 0.00 -0.71 0.00 0.00 52.86 54.31 1szd s ASN 116 Cb 0.19 -2.53 0.40 0.00 0.41 0.00 0.00 41.25 39.72 1szd s ASN 116 CO 0.28 -0.59 1.29 2.30 -1.51 0.00 0.00 177.10 178.87 1szd n ILE 117 N -1.14 1.93 0.66 0.60 -5.35 -1.26 -4.57 119.36 110.23 1szd n ILE 117 Ca 0.07 -1.83 0.13 0.00 -0.27 0.00 0.00 62.75 60.85 1szd n ILE 117 Cb 0.54 -0.11 0.32 0.00 -1.74 0.00 0.00 39.64 38.65 1szd n ILE 117 CO 0.00 0.00 0.00 -0.90 -1.76 0.00 0.00 176.55 173.89 1szd n ASP 118 N -0.66 0.68 -1.66 7.28 3.85 -1.26 -4.67 116.55 120.11 1szd n ASP 118 Ca 0.17 0.33 -0.20 0.00 -0.71 0.00 0.00 54.79 54.39 1szd n ASP 118 Cb 0.72 -0.32 -0.07 0.00 -1.35 0.00 0.00 41.12 40.10 1szd n ASP 118 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.20 176.60 1szd n THR 119 N -2.09 -0.18 0.24 2.12 -1.04 -1.26 -4.65 114.28 107.41 1szd n THR 119 Ca 0.05 0.00 0.12 0.00 -2.04 0.00 0.00 64.05 62.17 1szd n THR 119 Cb 0.42 -2.09 0.56 0.00 -1.82 0.00 0.00 70.33 67.39 1szd n THR 119 CO 0.00 0.00 0.00 -0.07 -0.64 0.00 0.00 175.07 174.36 1szd h LEU 120 N 0.00 0.00 -0.09 -4.42 3.38 -1.95 -0.68 115.31 111.56 1szd h LEU 120 Ca -0.42 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 57.54 1szd h LEU 120 Cb 1.30 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 42.05 1szd h LEU 120 CO 0.59 0.18 -0.00 -0.33 0.09 0.00 0.00 178.44 178.96 1szd h GLU 121 N 0.00 0.15 -0.63 1.13 3.07 -1.93 -1.24 114.58 115.14 1szd h GLU 121 Ca -0.00 -0.05 -0.09 0.00 -0.50 0.00 0.00 59.36 58.72 1szd h GLU 121 Cb 0.61 -0.01 -0.02 0.00 -0.84 0.00 0.00 28.75 28.49 1szd h GLU 121 CO 0.02 0.42 0.04 -0.09 -1.40 0.00 0.00 179.01 178.00 1szd h ARG 122 N -0.13 1.09 0.00 2.33 2.43 -1.74 -2.24 114.38 116.12 1szd h ARG 122 Ca 0.02 -0.33 -0.04 0.00 -0.81 0.00 0.00 59.98 58.83 1szd h ARG 122 Cb 0.35 -0.11 -0.01 0.00 -0.42 0.00 0.00 29.97 29.79 1szd h ARG 122 CO 0.00 1.04 -0.20 0.37 -1.51 0.00 0.00 179.97 179.67 1szd h GLN 123 N 1.00 0.00 0.00 0.20 4.15 -1.02 -1.72 115.11 117.73 1szd h GLN 123 Ca 0.18 0.00 0.00 0.00 0.77 0.00 0.00 58.65 59.60 1szd h GLN 123 Cb 0.52 0.00 0.00 0.00 0.21 0.00 0.00 27.48 28.21 1szd h GLN 123 CO 0.03 0.20 0.00 0.00 -1.93 0.00 0.00 178.83 177.13 1szd n ALA 124 N -2.49 2.39 0.00 3.38 0.00 -0.48 -4.90 120.51 118.41 1szd n ALA 124 Ca -0.02 -0.12 0.00 0.00 0.00 0.00 0.00 53.44 53.29 1szd n ALA 124 Cb 0.26 -1.47 0.00 0.00 0.00 0.00 0.00 19.45 18.25 1szd n ALA 124 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1szd n GLY 125 N 1.26 0.78 3.73 0.00 0.00 -0.65 -4.85 105.19 105.46 1szd n GLY 125 Ca 0.12 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.72 1szd n GLY 125 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1szd s VAL 126 N -2.00 2.92 0.48 1.61 1.01 -0.88 -4.95 120.40 118.60 1szd s VAL 126 Ca 0.00 0.71 -0.23 0.00 0.00 0.00 0.00 61.98 62.46 1szd s VAL 126 Cb 0.00 -3.45 -0.07 0.00 0.00 0.00 0.00 36.38 32.86 1szd s VAL 126 CO 0.00 0.08 1.26 -0.54 0.00 0.00 0.00 175.10 175.90 1szd s LYS 127 N 0.47 3.60 0.32 2.72 1.02 -1.26 -4.48 119.74 122.13 1szd s LYS 127 Ca 0.63 2.01 0.07 0.00 0.02 0.00 0.00 55.97 58.70 1szd s LYS 127 Cb -0.40 -2.44 0.76 0.00 -0.52 0.00 0.00 37.83 35.23 1szd s LYS 127 CO 0.36 -0.75 1.80 0.22 -0.92 0.00 0.00 175.35 176.06 1szd h ASP 128 N 2.00 0.75 0.39 2.83 1.82 -1.93 -0.84 116.42 121.44 1szd h ASP 128 Ca -0.50 0.08 -0.03 0.00 -0.39 0.00 0.00 57.03 56.19 1szd h ASP 128 Cb 1.26 -0.06 -0.00 0.00 0.68 0.00 0.00 39.33 41.21 1szd h ASP 128 CO 0.60 0.30 -0.13 -0.78 -1.61 0.00 0.00 179.24 177.62 1szd h ASP 129 N 0.75 0.00 0.05 2.28 3.58 -2.02 -2.87 116.42 118.19 1szd h ASP 129 Ca 0.55 0.00 0.00 0.00 0.42 0.00 0.00 57.03 58.00 1szd h ASP 129 Cb 0.87 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.92 1szd h ASP 129 CO -0.33 0.13 -0.33 0.18 -2.88 0.00 0.00 179.24 176.01 1szd n LEU 130 N -3.66 1.83 -4.63 2.28 4.77 -0.34 -4.92 117.00 112.33 1szd n LEU 130 Ca -0.02 -0.63 -0.35 0.00 -0.03 0.00 0.00 56.01 54.98 1szd n LEU 130 Cb 0.25 -0.03 -0.10 0.00 -2.33 0.00 0.00 43.42 41.20 1szd n LEU 130 CO 0.30 0.33 -0.31 -0.63 -1.33 0.00 0.00 177.39 175.76 1szd s ILE 131 N -2.40 4.31 -0.30 -0.08 1.01 -1.09 -0.53 121.20 122.13 1szd s ILE 131 Ca 0.23 -0.23 0.02 0.00 0.00 0.00 0.00 60.65 60.67 1szd s ILE 131 Cb 0.19 -2.86 0.09 0.00 0.01 0.00 0.00 42.46 39.89 1szd s ILE 131 CO 0.51 0.55 0.01 -0.63 0.00 0.00 0.00 174.94 175.38 1szd s ILE 132 N -0.35 1.87 -1.02 2.92 -1.09 -0.25 -4.95 121.20 118.33 1szd s ILE 132 Ca 0.07 -1.85 -0.18 0.00 -2.23 0.00 0.00 60.65 56.47 1szd s ILE 132 Cb -0.12 -2.27 0.13 0.00 -1.58 0.00 0.00 42.46 38.62 1szd s ILE 132 CO 0.02 -0.42 1.25 -1.61 -1.23 0.00 0.00 174.94 172.94 1szd s GLU 133 N 1.16 3.73 0.49 2.79 2.02 -1.26 -1.18 118.70 126.45 1szd s GLU 133 Ca 0.04 -1.91 0.21 0.00 0.02 0.00 0.00 54.97 53.34 1szd s GLU 133 Cb -0.19 -5.01 1.26 0.00 0.10 0.00 0.00 34.13 30.29 1szd s GLU 133 CO -0.10 -1.83 1.97 0.00 0.02 0.00 0.00 175.26 175.33 1szd h ALA 134 N 8.48 2.34 -0.37 5.21 0.00 -1.57 -1.91 119.26 131.43 1szd h ALA 134 Ca 0.21 -0.01 -0.09 0.00 0.00 0.00 0.00 54.91 55.02 1szd h ALA 134 Cb 0.98 -0.00 -0.05 0.00 0.00 0.00 0.00 17.79 18.72 1szd h ALA 134 CO 1.18 -0.50 0.03 0.72 0.00 0.00 0.00 179.25 180.68 1szd n HIS 135 N -4.42 1.27 -4.12 0.00 8.25 -1.26 -4.40 115.22 110.53 1szd n HIS 135 Ca 0.11 -1.12 0.00 0.00 -0.26 0.00 0.00 57.72 56.45 1szd n HIS 135 Cb 0.56 -0.43 0.00 0.00 1.12 0.00 0.00 29.99 31.24 1szd n HIS 135 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1szd n GLY 136 N -0.60 -1.57 2.86 -1.41 0.00 -0.72 -0.38 105.19 103.37 1szd n GLY 136 Ca 0.28 -1.31 -0.04 0.00 0.00 0.00 0.00 46.02 44.94 1szd n GLY 136 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1szd n SER 137 N 0.06 -1.51 -1.04 1.61 3.41 -0.86 -4.69 113.62 110.59 1szd n SER 137 Ca 0.00 -1.93 0.09 0.00 -0.26 0.00 0.00 58.87 56.76 1szd n SER 137 Cb 0.00 2.49 0.25 0.00 -0.26 0.00 0.00 64.21 66.69 1szd n SER 137 CO 0.00 0.00 0.00 0.49 -0.16 0.00 0.00 175.04 175.37 1szd n PHE 138 N -0.48 0.78 0.26 7.33 3.01 -1.26 -2.84 117.46 124.26 1szd n PHE 138 Ca -0.04 -0.38 0.14 0.00 1.01 0.00 0.00 57.45 58.18 1szd n PHE 138 Cb 0.44 -0.02 0.68 0.00 -0.01 0.00 0.00 39.48 40.57 1szd n PHE 138 CO 0.00 0.00 0.00 0.00 1.01 0.00 0.00 176.76 177.77 1szd h ALA 139 N 3.98 1.09 -2.31 4.37 0.00 -1.95 -3.45 119.26 120.99 1szd h ALA 139 Ca 0.00 -0.10 -0.14 0.00 0.00 0.00 0.00 54.91 54.67 1szd h ALA 139 Cb 0.78 -0.02 -0.15 0.00 0.00 0.00 0.00 17.79 18.40 1szd h ALA 139 CO 0.02 0.13 -0.66 -1.01 0.00 0.00 0.00 179.25 177.73 1szd s HIS 140 N -3.87 0.65 0.16 0.00 3.76 -1.26 -4.43 115.29 110.30 1szd s HIS 140 Ca -0.01 -1.13 0.07 0.00 -0.15 0.00 0.00 55.06 53.84 1szd s HIS 140 Cb 0.11 -0.42 -0.04 0.00 1.11 0.00 0.00 32.58 33.34 1szd s HIS 140 CO 0.57 -0.44 -0.15 0.00 -0.85 0.00 0.00 174.74 173.88 1szd s HIS 142 N -2.48 -0.22 -0.03 0.00 -3.43 -0.17 -1.12 115.29 107.84 1szd s HIS 142 Ca 0.16 0.16 -0.30 0.00 -0.80 0.00 0.00 55.06 54.28 1szd s HIS 142 Cb -0.03 0.18 -0.03 0.00 -1.43 0.00 0.00 32.58 31.27 1szd s HIS 142 CO 0.05 -0.55 1.04 0.00 -2.00 0.00 0.00 174.74 173.28 1szd n ILE 144 N 4.17 0.76 -0.05 0.00 -5.35 -0.62 -1.39 119.36 116.88 1szd n ILE 144 Ca 0.08 0.19 -0.05 0.00 -0.27 0.00 0.00 62.75 62.70 1szd n ILE 144 Cb 0.49 -0.90 -0.02 0.00 -1.74 0.00 0.00 39.64 37.47 1szd n ILE 144 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 1szd n GLY 145 N 0.21 -0.63 0.01 3.28 0.00 -1.26 -4.78 105.19 102.01 1szd n GLY 145 Ca 0.05 -0.17 0.10 0.00 0.00 0.00 0.00 46.02 46.00 1szd n GLY 145 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1szd n GLY 147 N 1.37 0.76 3.66 0.00 0.00 -0.49 -4.99 105.19 105.50 1szd n GLY 147 Ca -0.01 0.00 -0.45 0.00 0.00 0.00 0.00 46.02 45.56 1szd n GLY 147 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 1szd n LYS 148 N -2.20 1.87 -3.18 1.61 4.81 -1.26 -4.42 118.16 115.39 1szd n LYS 148 Ca 0.00 0.66 -0.36 0.00 -0.87 0.00 0.00 58.31 57.74 1szd n LYS 148 Cb 0.00 -2.27 -0.06 0.00 0.02 0.00 0.00 35.03 32.72 1szd n LYS 148 CO 0.00 0.00 0.00 0.08 1.17 0.00 0.00 177.40 178.65 1szd s VAL 149 N -0.27 4.66 0.07 3.15 1.01 -1.26 -1.27 120.40 126.49 1szd s VAL 149 Ca 0.67 1.16 0.03 0.00 0.00 0.00 0.00 61.98 63.84 1szd s VAL 149 Cb -0.67 -3.83 -0.03 0.00 0.00 0.00 0.00 36.38 31.84 1szd s VAL 149 CO 0.52 0.25 -0.10 -0.31 0.00 0.00 0.00 175.10 175.46 1szd s TYR 150 N -1.46 0.94 0.62 5.22 1.51 -0.28 -4.97 117.35 118.93 1szd s TYR 150 Ca 0.40 -0.54 -0.17 0.00 -1.01 0.00 0.00 57.07 55.75 1szd s TYR 150 Cb -0.17 -0.54 -0.02 0.00 -0.11 0.00 0.00 41.96 41.13 1szd s TYR 150 CO 0.20 -0.02 1.16 -2.14 -1.11 0.00 0.00 175.55 173.64 1szd s PRO 151 N -1.97 2.90 0.41 -1.71 0.02 -1.26 -2.10 135.00 131.29 1szd s PRO 151 Ca -0.03 1.65 0.29 0.00 0.02 0.00 0.00 61.00 62.92 1szd s PRO 151 Cb -0.08 -1.94 1.14 0.00 0.02 0.00 0.00 34.50 33.64 1szd s PRO 151 CO 0.01 -1.22 1.85 -1.00 -0.33 0.00 0.00 177.00 176.31 1szd h PRO 152 N 0.57 0.00 -0.99 5.54 0.13 -1.87 -3.35 132.00 132.04 1szd h PRO 152 Ca -0.49 0.00 0.02 0.00 -0.87 0.00 0.00 66.00 64.66 1szd h PRO 152 Cb 1.27 0.00 -0.05 0.00 0.13 0.00 0.00 31.00 32.35 1szd h PRO 152 CO 0.54 0.00 0.65 1.96 -0.23 0.00 0.00 178.00 180.93 1szd h GLN 153 N 0.00 1.26 -0.56 0.86 7.50 -1.94 -2.24 115.11 120.00 1szd h GLN 153 Ca 0.00 -0.08 -0.03 0.00 0.50 0.00 0.00 58.65 59.04 1szd h GLN 153 Cb 0.48 -0.29 -0.02 0.00 0.05 0.00 0.00 27.48 27.70 1szd h GLN 153 CO 0.00 0.84 0.21 -0.24 -1.50 0.00 0.00 178.83 178.14 1szd h VAL 154 N 1.30 1.23 -0.19 -0.54 3.04 -1.98 0.66 116.25 119.77 1szd h VAL 154 Ca 0.37 -0.72 -0.01 0.00 -1.01 0.00 0.00 66.70 65.34 1szd h VAL 154 Cb -0.09 0.65 -0.01 0.00 -2.01 0.00 0.00 31.29 29.83 1szd h VAL 154 CO -0.10 0.27 0.07 0.15 -1.01 0.00 0.00 177.57 176.96 1szd h PHE 155 N 0.77 0.28 -0.83 3.17 3.57 -1.78 -2.82 116.94 119.29 1szd h PHE 155 Ca 0.18 -0.02 0.01 0.00 3.53 0.00 0.00 57.97 61.68 1szd h PHE 155 Cb 0.22 -0.08 -0.04 0.00 2.79 0.00 0.00 35.95 38.83 1szd h PHE 155 CO 0.01 0.34 0.55 -0.22 -2.23 0.00 0.00 178.31 176.76 1szd h LYS 156 N 0.14 1.08 -0.28 1.11 3.64 -1.15 -2.27 116.57 118.85 1szd h LYS 156 Ca 0.06 -0.06 -0.03 0.00 -1.27 0.00 0.00 60.65 59.35 1szd h LYS 156 Cb 0.18 -0.24 -0.02 0.00 -0.41 0.00 0.00 32.23 31.74 1szd h LYS 156 CO -0.00 0.71 0.04 0.66 -2.27 0.00 0.00 179.45 178.59 1szd h SER 157 N 1.11 0.37 0.88 4.20 4.64 -0.63 -2.15 113.55 121.97 1szd h SER 157 Ca 0.31 -0.05 -0.02 0.00 -0.47 0.00 0.00 61.79 61.56 1szd h SER 157 Cb -0.10 -0.10 -0.00 0.00 -0.31 0.00 0.00 62.40 61.89 1szd h SER 157 CO -0.07 0.40 -0.11 0.50 -0.87 0.00 0.00 176.83 176.68 1szd h LYS 158 N 0.40 0.00 0.00 4.77 3.64 -1.17 -2.82 116.57 121.39 1szd h LYS 158 Ca 0.09 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.47 1szd h LYS 158 Cb 0.20 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.02 1szd h LYS 158 CO 0.00 0.11 0.00 -0.07 -2.27 0.00 0.00 179.45 177.22 1szd h LEU 159 N 0.00 0.00 -1.04 5.20 3.38 -1.35 -2.73 115.31 118.77 1szd h LEU 159 Ca -0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 1szd h LEU 159 Cb 0.57 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.32 1szd h LEU 159 CO 0.01 0.00 -0.12 0.00 0.09 0.00 0.00 178.44 178.42 1szd n ALA 160 N -1.92 2.80 -2.04 1.53 0.00 -1.06 -4.93 120.51 114.89 1szd n ALA 160 Ca 0.01 -0.51 -0.36 0.00 0.00 0.00 0.00 53.44 52.59 1szd n ALA 160 Cb 0.26 -1.04 -0.06 0.00 0.00 0.00 0.00 19.45 18.61 1szd n ALA 160 CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 177.50 176.29 1szd s GLU 161 N -2.19 4.30 -0.21 0.00 2.02 -1.03 -5.07 118.70 116.52 1szd s GLU 161 Ca 0.30 0.95 0.00 0.00 0.02 0.00 0.00 54.97 56.24 1szd s GLU 161 Cb 0.20 -2.83 0.06 0.00 0.10 0.00 0.00 34.13 31.66 1szd s GLU 161 CO 0.40 0.35 -0.04 -1.01 0.02 0.00 0.00 175.26 174.98 1szd s HIS 162 N -1.58 2.08 0.72 1.61 3.76 -1.26 -3.04 115.29 117.59 1szd s HIS 162 Ca 0.45 -1.50 -0.07 0.00 -0.15 0.00 0.00 55.06 53.79 1szd s HIS 162 Cb -0.16 -1.46 0.07 0.00 1.11 0.00 0.00 32.58 32.13 1szd s HIS 162 CO 0.21 -0.72 1.04 -1.25 -0.85 0.00 0.00 174.74 173.17 1szd s PRO 163 N 1.50 2.12 -0.23 8.40 0.04 -1.26 -5.10 135.00 140.48 1szd s PRO 163 Ca -0.04 -0.22 -0.28 0.00 0.04 0.00 0.00 61.00 60.50 1szd s PRO 163 Cb -0.18 -2.13 0.01 0.00 0.04 0.00 0.00 34.50 32.24 1szd s PRO 163 CO -0.07 -1.32 1.01 0.42 0.04 0.00 0.00 177.00 177.08 1szd s ILE 164 N -3.30 4.71 0.32 0.56 1.01 -1.17 -4.99 121.20 118.33 1szd s ILE 164 Ca 0.61 1.96 -0.14 0.00 0.00 0.00 0.00 60.65 63.08 1szd s ILE 164 Cb -0.11 -4.28 0.02 0.00 0.01 0.00 0.00 42.46 38.11 1szd s ILE 164 CO 0.45 -0.16 0.63 -1.59 0.00 0.00 0.00 174.94 174.28 1szd s LYS 165 N 3.12 1.89 -1.12 2.79 -2.85 -1.26 -4.98 119.74 117.33 1szd s LYS 165 Ca 0.43 -1.35 -0.11 0.00 -1.00 0.00 0.00 55.97 53.93 1szd s LYS 165 Cb -0.15 0.55 -0.03 0.00 -2.06 0.00 0.00 37.83 36.13 1szd s LYS 165 CO 0.06 -0.84 0.84 -0.25 0.10 0.00 0.00 175.35 175.27 1szd n ASP 166 N -0.93 -5.33 -4.55 0.03 10.43 -1.26 -4.89 116.55 110.05 1szd n ASP 166 Ca -0.04 -0.85 -0.37 0.00 2.57 0.00 0.00 54.79 56.10 1szd n ASP 166 Cb 0.60 -4.31 0.05 0.00 1.84 0.00 0.00 41.12 39.31 1szd n ASP 166 CO 0.00 0.00 0.00 0.49 -1.07 0.00 0.00 177.20 176.62 1szd n PHE 167 N -3.78 0.15 -1.75 1.24 3.01 -1.26 -4.87 117.46 110.21 1szd n PHE 167 Ca -0.11 0.42 -0.42 0.00 1.01 0.00 0.00 57.45 58.35 1szd n PHE 167 Cb 0.62 -2.05 -0.03 0.00 -0.01 0.00 0.00 39.48 38.01 1szd n PHE 167 CO 0.00 0.00 0.00 0.08 1.01 0.00 0.00 176.76 177.85 1szd s VAL 168 N -1.65 2.43 0.11 -4.37 1.01 -1.26 -4.99 120.40 111.68 1szd s VAL 168 Ca 0.73 0.10 0.10 0.00 0.00 0.00 0.00 61.98 62.91 1szd s VAL 168 Cb -0.41 -3.06 -0.04 0.00 0.00 0.00 0.00 36.38 32.87 1szd s VAL 168 CO 0.50 0.00 -0.26 -0.54 0.00 0.00 0.00 175.10 174.80 1szd s LYS 169 N 2.18 1.52 0.22 2.72 -0.14 -1.26 -1.71 119.74 123.27 1szd s LYS 169 Ca 0.78 -1.28 -0.30 0.00 -1.36 0.00 0.00 55.97 53.81 1szd s LYS 169 Cb -0.46 -1.93 -0.10 0.00 -1.68 0.00 0.00 37.83 33.66 1szd s LYS 169 CO 0.34 0.47 1.40 0.00 -0.76 0.00 0.00 175.35 176.80 1szd n ASP 171 N 2.60 0.00 -0.04 0.00 3.85 -1.26 -1.47 116.55 120.23 1szd n ASP 171 Ca 0.07 -1.34 -0.08 0.00 -0.71 0.00 0.00 54.79 52.73 1szd n ASP 171 Cb 0.41 0.00 -0.03 0.00 -1.35 0.00 0.00 41.12 40.15 1szd n ASP 171 CO 0.00 0.00 0.00 0.52 -1.01 0.00 0.00 177.20 176.71 1szd n VAL 172 N -0.80 1.31 0.55 2.12 0.31 -1.26 -4.86 118.33 115.71 1szd n VAL 172 Ca 0.14 0.16 0.06 0.00 -0.01 0.00 0.00 64.34 64.69 1szd n VAL 172 Cb 0.06 -1.99 -0.04 0.00 -0.91 0.00 0.00 33.84 30.97 1szd n VAL 172 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 1szd n GLY 174 N 1.14 1.09 3.88 0.00 0.00 -0.54 -4.98 105.19 105.79 1szd n GLY 174 Ca 0.04 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.76 1szd n GLY 174 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1szd s GLU 175 N -0.11 2.10 0.37 1.61 0.41 -1.26 -4.39 118.70 117.44 1szd s GLU 175 Ca 0.00 0.23 -0.27 0.00 -0.41 0.00 0.00 54.97 54.52 1szd s GLU 175 Cb 0.00 -1.96 -0.09 0.00 -1.78 0.00 0.00 34.13 30.30 1szd s GLU 175 CO 0.00 -1.52 1.25 -0.51 -0.49 0.00 0.00 175.26 173.99 1szd s LEU 176 N -5.58 4.30 -0.10 1.80 1.43 -1.26 -0.00 118.68 119.26 1szd s LEU 176 Ca 0.61 2.55 -0.04 0.00 -1.03 0.00 0.00 54.13 56.23 1szd s LEU 176 Cb -0.11 -3.84 -0.04 0.00 0.03 0.00 0.00 46.19 42.23 1szd s LEU 176 CO 0.50 -0.66 0.04 -0.69 0.23 0.00 0.00 176.35 175.77 1szd s VAL 177 N -1.26 4.63 0.10 -1.59 1.01 -0.70 -1.59 120.40 121.00 1szd s VAL 177 Ca 0.54 -0.12 -0.06 0.00 0.00 0.00 0.00 61.98 62.33 1szd s VAL 177 Cb -0.36 -2.98 -0.02 0.00 0.00 0.00 0.00 36.38 33.03 1szd s VAL 177 CO 0.47 0.60 0.14 -1.59 0.00 0.00 0.00 175.10 174.71 1szd s LYS 178 N -0.79 0.85 0.63 2.72 -2.85 -0.58 -4.75 119.74 114.97 1szd s LYS 178 Ca 0.12 -1.11 -0.18 0.00 -1.00 0.00 0.00 55.97 53.80 1szd s LYS 178 Cb -0.12 0.31 -0.02 0.00 -2.06 0.00 0.00 37.83 35.94 1szd s LYS 178 CO 0.03 -0.26 1.19 -2.30 0.10 0.00 0.00 175.35 174.11 1szd n PRO 179 N -0.05 1.07 -0.57 1.78 -0.02 -1.26 -1.00 135.00 134.95 1szd n PRO 179 Ca -0.12 0.42 -0.08 0.00 -2.02 0.00 0.00 63.50 61.69 1szd n PRO 179 Cb 0.62 -2.42 -0.09 0.00 -0.02 0.00 0.00 33.50 31.60 1szd n PRO 179 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1szd n ALA 180 N -1.81 4.05 -2.61 3.55 0.00 0.12 -4.75 120.51 119.06 1szd n ALA 180 Ca 0.15 -1.10 -0.38 0.00 0.00 0.00 0.00 53.44 52.11 1szd n ALA 180 Cb 0.48 -2.35 -0.06 0.00 0.00 0.00 0.00 19.45 17.52 1szd n ALA 180 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.50 177.92 1szd s ILE 181 N 2.02 5.16 -0.26 0.00 -1.09 -1.23 -2.04 121.20 123.76 1szd s ILE 181 Ca 0.37 0.68 -0.29 0.00 -2.23 0.00 0.00 60.65 59.19 1szd s ILE 181 Cb 0.17 -3.64 0.01 0.00 -1.58 0.00 0.00 42.46 37.43 1szd s ILE 181 CO -0.00 0.57 1.03 -0.69 -1.23 0.00 0.00 174.94 174.62 1szd s VAL 182 N -0.95 4.64 0.40 2.92 1.01 0.49 -4.95 120.40 123.95 1szd s VAL 182 Ca 0.21 1.88 -0.01 0.00 0.00 0.00 0.00 61.98 64.06 1szd s VAL 182 Cb -0.15 -4.33 -0.03 0.00 0.00 0.00 0.00 36.38 31.87 1szd s VAL 182 CO 0.11 -0.28 0.64 -0.36 0.00 0.00 0.00 175.10 175.21 1szd s PHE 183 N 3.32 3.50 0.26 5.22 0.40 -1.26 -4.95 117.98 124.46 1szd s PHE 183 Ca 0.44 0.49 -0.31 0.00 -0.60 0.00 0.00 56.93 56.95 1szd s PHE 183 Cb -0.14 -2.07 -0.11 0.00 0.51 0.00 0.00 43.02 41.21 1szd s PHE 183 CO 0.09 -0.05 1.64 -0.06 0.70 0.00 0.00 175.22 177.53 1szd s PHE 184 N -2.48 2.82 0.00 0.36 0.08 0.30 -1.11 117.98 117.95 1szd s PHE 184 Ca 0.43 0.63 0.00 0.00 0.12 0.00 0.00 56.93 58.11 1szd s PHE 184 Cb -0.10 -4.09 0.00 0.00 -0.57 0.00 0.00 43.02 38.27 1szd s PHE 184 CO 0.39 -3.82 0.00 0.41 -0.10 0.00 0.00 175.22 172.10 1szd n GLY 185 N 2.84 1.52 3.93 4.36 0.00 -1.26 -4.25 105.19 112.33 1szd n GLY 185 Ca 0.11 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.85 1szd n GLY 185 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1szd s GLU 186 N -0.92 3.47 0.49 1.61 2.02 -0.27 -5.09 118.70 120.01 1szd s GLU 186 Ca 0.00 -0.46 -0.17 0.00 0.02 0.00 0.00 54.97 54.36 1szd s GLU 186 Cb 0.00 -2.94 -0.08 0.00 0.10 0.00 0.00 34.13 31.21 1szd s GLU 186 CO 0.00 0.50 0.97 -0.51 0.02 0.00 0.00 175.26 176.24 1szd s ASP 187 N -3.00 6.68 0.63 -0.19 -0.00 -1.26 -4.80 116.67 114.73 1szd s ASP 187 Ca 0.36 1.57 -0.11 0.00 -0.00 0.00 0.00 52.55 54.37 1szd s ASP 187 Cb -0.12 -2.50 -0.03 0.00 -0.00 0.00 0.00 42.92 40.27 1szd s ASP 187 CO 0.28 -0.53 1.03 -0.76 -0.00 0.00 0.00 175.17 175.20 1szd s LEU 188 N -3.88 3.18 0.57 1.23 1.02 -1.26 -4.94 118.68 114.60 1szd s LEU 188 Ca 0.59 1.34 -0.21 0.00 0.02 0.00 0.00 54.13 55.87 1szd s LEU 188 Cb -0.10 -4.33 -0.04 0.00 0.02 0.00 0.00 46.19 41.74 1szd s LEU 188 CO 0.28 -0.96 1.35 -2.16 0.02 0.00 0.00 176.35 174.88 1szd s PRO 189 N -5.20 2.98 0.48 1.29 0.04 -1.26 -4.87 135.00 128.46 1szd s PRO 189 Ca 0.55 2.22 0.23 0.00 0.04 0.00 0.00 61.00 64.04 1szd s PRO 189 Cb -0.11 -2.16 1.25 0.00 0.04 0.00 0.00 34.50 33.53 1szd s PRO 189 CO 0.53 -1.31 1.90 -0.44 0.04 0.00 0.00 177.00 177.73 1szd h ASP 190 N 1.23 0.21 0.07 6.66 3.45 -1.99 -1.60 116.42 124.45 1szd h ASP 190 Ca -0.51 0.02 -0.00 0.00 0.43 0.00 0.00 57.03 56.96 1szd h ASP 190 Cb 1.31 -0.02 -0.00 0.00 -0.56 0.00 0.00 39.33 40.06 1szd h ASP 190 CO 0.56 0.09 -0.02 0.77 -1.57 0.00 0.00 179.24 179.07 1szd h SER 191 N 0.21 0.00 0.55 6.45 4.64 -1.98 -2.08 113.55 121.34 1szd h SER 191 Ca 0.40 0.00 -0.03 0.00 -0.47 0.00 0.00 61.79 61.69 1szd h SER 191 Cb 1.23 0.00 0.01 0.00 -0.31 0.00 0.00 62.40 63.33 1szd h SER 191 CO -0.08 0.02 -0.26 0.15 -0.87 0.00 0.00 176.83 175.78 1szd h PHE 192 N 0.00 -0.68 -0.90 4.77 3.57 -1.64 -0.63 116.94 121.43 1szd h PHE 192 Ca -0.00 -0.02 -0.01 0.00 3.53 0.00 0.00 57.97 61.47 1szd h PHE 192 Cb 0.06 0.23 -0.04 0.00 2.79 0.00 0.00 35.95 38.99 1szd h PHE 192 CO 0.00 -0.43 0.51 0.77 -2.23 0.00 0.00 178.31 176.93 1szd h SER 193 N -0.83 1.11 -0.22 0.41 0.02 -1.71 -1.72 113.55 110.60 1szd h SER 193 Ca -0.08 -0.09 -0.00 0.00 -0.84 0.00 0.00 61.79 60.78 1szd h SER 193 Cb 0.57 -0.28 -0.01 0.00 0.14 0.00 0.00 62.40 62.81 1szd h SER 193 CO 0.12 0.88 0.14 -0.33 -1.14 0.00 0.00 176.83 176.50 1szd h GLU 194 N 1.25 0.29 -0.18 3.45 5.08 -1.40 -0.83 114.58 122.25 1szd h GLU 194 Ca 0.32 -0.02 -0.15 0.00 -1.00 0.00 0.00 59.36 58.50 1szd h GLU 194 Cb 0.00 -0.06 -0.01 0.00 0.50 0.00 0.00 28.75 29.18 1szd h GLU 194 CO -0.05 0.23 -0.53 1.15 -1.00 0.00 0.00 179.01 178.81 1szd h THR 195 N 0.28 1.32 -0.21 1.13 2.02 -0.98 -2.53 112.91 113.94 1szd h THR 195 Ca 0.08 -1.77 -0.10 0.00 0.77 0.00 0.00 66.41 65.39 1szd h THR 195 Cb 0.00 1.76 -0.01 0.00 -1.74 0.00 0.00 68.15 68.16 1szd h THR 195 CO -0.02 0.55 -0.29 -0.25 0.37 0.00 0.00 175.52 175.88 1szd h TRP 196 N 0.39 0.47 -0.34 3.16 -0.00 -1.19 0.19 115.95 118.63 1szd h TRP 196 Ca 0.01 -0.11 -0.01 0.00 -0.00 0.00 0.00 58.89 58.79 1szd h TRP 196 Cb 1.05 -0.11 -0.02 0.00 -0.00 0.00 0.00 29.16 30.08 1szd h TRP 196 CO 0.04 0.67 0.18 1.25 -0.00 0.00 0.00 178.44 180.58 1szd h LEU 197 N 0.36 0.44 -0.18 0.65 5.85 -0.94 0.13 115.31 121.62 1szd h LEU 197 Ca 0.05 -0.10 -0.04 0.00 0.84 0.00 0.00 57.88 58.64 1szd h LEU 197 Cb 0.70 -0.11 -0.01 0.00 0.37 0.00 0.00 40.66 41.62 1szd h LEU 197 CO 0.05 0.41 -0.03 0.78 -0.34 0.00 0.00 178.44 179.31 1szd h ASN 198 N 0.43 0.33 0.56 1.25 2.35 -1.03 -2.82 115.58 116.66 1szd h ASN 198 Ca 0.12 -0.35 -0.03 0.00 -0.55 0.00 0.00 56.30 55.50 1szd h ASN 198 Cb 0.07 -0.09 -0.00 0.00 0.05 0.00 0.00 38.32 38.35 1szd h ASN 198 CO -0.02 0.60 -0.14 0.44 -1.65 0.00 0.00 177.43 176.66 1szd h ASP 199 N 0.06 0.00 -0.29 5.81 3.32 -0.51 -1.04 116.42 123.77 1szd h ASP 199 Ca 0.05 0.00 -0.13 0.00 0.02 0.00 0.00 57.03 56.96 1szd h ASP 199 Cb 0.44 0.00 -0.00 0.00 0.22 0.00 0.00 39.33 39.99 1szd h ASP 199 CO 0.01 0.14 -0.34 0.28 -1.72 0.00 0.00 179.24 177.61 1szd h SER 200 N 0.00 0.81 -0.43 6.45 0.02 -0.60 0.33 113.55 120.13 1szd h SER 200 Ca -0.00 -0.49 -0.12 0.00 -0.84 0.00 0.00 61.79 60.34 1szd h SER 200 Cb 0.46 -0.23 -0.01 0.00 0.14 0.00 0.00 62.40 62.76 1szd h SER 200 CO 0.02 1.13 -0.19 -0.08 -1.14 0.00 0.00 176.83 176.57 1szd h GLU 201 N 0.50 0.88 -0.42 3.45 4.81 -1.22 -2.13 114.58 120.45 1szd h GLU 201 Ca 0.04 -0.38 0.05 0.00 -0.13 0.00 0.00 59.36 58.94 1szd h GLU 201 Cb 0.93 -0.03 -0.05 0.00 0.63 0.00 0.00 28.75 30.23 1szd h GLU 201 CO 0.08 1.03 0.14 2.35 -0.73 0.00 0.00 179.01 181.88 1szd h TRP 202 N 0.71 0.24 -0.02 0.92 7.01 -1.03 -0.19 115.95 123.60 1szd h TRP 202 Ca 0.10 0.02 0.00 0.00 2.11 0.00 0.00 58.89 61.12 1szd h TRP 202 Cb 0.76 -0.05 -0.00 0.00 -2.10 0.00 0.00 29.16 27.77 1szd h TRP 202 CO 0.06 0.08 0.01 -0.07 -2.79 0.00 0.00 178.44 175.73 1szd h LEU 203 N 0.30 0.02 -0.91 0.65 3.38 -0.78 -2.56 115.31 115.41 1szd h LEU 203 Ca 0.20 -0.02 -0.01 0.00 0.09 0.00 0.00 57.88 58.13 1szd h LEU 203 Cb 0.19 -0.01 -0.04 0.00 0.09 0.00 0.00 40.66 40.89 1szd h LEU 203 CO -0.21 0.04 0.53 0.03 0.09 0.00 0.00 178.44 178.91 1szd h ARG 204 N 0.01 1.25 0.00 1.13 3.08 -0.98 -2.54 114.38 116.33 1szd h ARG 204 Ca 0.01 -0.13 -0.08 0.00 0.07 0.00 0.00 59.98 59.85 1szd h ARG 204 Cb 0.02 -0.25 -0.01 0.00 0.08 0.00 0.00 29.97 29.80 1szd h ARG 204 CO -0.00 0.90 -0.37 0.93 -1.07 0.00 0.00 179.97 180.35 1szd h GLU 205 N 1.27 0.00 -0.05 0.04 4.39 -0.94 -2.71 114.58 116.57 1szd h GLU 205 Ca 0.32 0.00 -0.13 0.00 0.34 0.00 0.00 59.36 59.90 1szd h GLU 205 Cb -0.01 0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 28.62 1szd h GLU 205 CO -0.06 0.37 -0.54 0.87 -1.16 0.00 0.00 179.01 178.49 1szd h LYS 206 N 0.00 0.16 -0.63 2.33 1.79 -1.04 -3.17 116.57 116.01 1szd h LYS 206 Ca -0.00 -0.10 0.11 0.00 -2.18 0.00 0.00 60.65 58.48 1szd h LYS 206 Cb 0.69 0.01 -0.08 0.00 -1.58 0.00 0.00 32.23 31.26 1szd h LYS 206 CO 0.05 0.66 0.20 0.82 -1.08 0.00 0.00 179.45 180.10 1szd h ILE 207 N 0.12 0.70 -0.33 1.86 2.04 -1.26 0.14 117.51 120.79 1szd h ILE 207 Ca -0.00 -0.12 -0.19 0.00 1.00 0.00 0.00 64.86 65.55 1szd h ILE 207 Cb 1.00 0.31 -0.10 0.00 -0.74 0.00 0.00 36.82 37.29 1szd h ILE 207 CO 0.08 0.06 0.24 1.07 0.00 0.00 0.00 178.15 179.60 1szd n THR 208 N -5.05 1.99 -1.09 -0.27 5.66 -1.20 -5.04 114.28 109.28 1szd n THR 208 Ca 0.10 -0.85 0.00 0.00 -3.05 0.00 0.00 64.05 60.25 1szd n THR 208 Cb 0.32 -1.01 0.00 0.00 -1.55 0.00 0.00 70.33 68.09 1szd n THR 208 CO 0.00 0.00 0.00 0.35 -3.05 0.00 0.00 175.07 172.37 1szd n THR 209 N 0.20 -0.55 -2.91 1.09 -2.24 0.49 -5.10 114.28 105.26 1szd n THR 209 Ca 0.20 0.26 -0.10 0.00 -2.27 0.00 0.00 64.05 62.15 1szd n THR 209 Cb 0.78 -0.40 0.03 0.00 -2.10 0.00 0.00 70.33 68.64 1szd n THR 209 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1szd n GLN 215 N -1.68 -3.16 -1.81 -0.78 10.64 -1.26 -4.59 117.38 114.73 1szd n GLN 215 Ca 0.00 0.35 -0.42 0.00 -1.83 0.00 0.00 57.00 55.10 1szd n GLN 215 Cb 0.04 -3.93 -0.03 0.00 -0.86 0.00 0.00 30.24 25.47 1szd n GLN 215 CO 0.00 0.00 0.00 -0.65 -1.83 0.00 0.00 177.06 174.58 1szd s GLN 216 N -5.48 4.16 1.30 2.61 -1.52 -1.26 -4.54 119.66 114.92 1szd s GLN 216 Ca 0.23 2.48 -0.21 0.00 -1.95 0.00 0.00 55.36 55.91 1szd s GLN 216 Cb -0.10 -3.54 0.32 0.00 -0.22 0.00 0.00 33.01 29.47 1szd s GLN 216 CO 0.28 -0.78 1.03 -2.14 -0.25 0.00 0.00 175.29 173.44 1szd s PRO 217 N 2.51 -1.97 -0.15 2.91 0.02 -1.26 -4.74 135.00 132.31 1szd s PRO 217 Ca 0.77 0.04 -0.11 0.00 0.02 0.00 0.00 61.00 61.72 1szd s PRO 217 Cb -0.44 -1.50 0.05 0.00 0.02 0.00 0.00 34.50 32.63 1szd s PRO 217 CO 0.34 -4.23 0.39 -1.17 -0.33 0.00 0.00 177.00 172.01 1szd s LEU 218 N -7.34 0.27 -0.19 -5.54 2.96 -1.17 -4.46 118.68 103.21 1szd s LEU 218 Ca 0.70 0.81 0.00 0.00 -0.22 0.00 0.00 54.13 55.42 1szd s LEU 218 Cb -0.12 1.31 0.01 0.00 0.50 0.00 0.00 46.19 47.90 1szd s LEU 218 CO 0.57 -0.16 -0.17 -0.69 -1.32 0.00 0.00 176.35 174.58 1szd s VAL 219 N 0.74 2.33 -0.23 1.68 1.01 -1.03 -1.11 120.40 123.78 1szd s VAL 219 Ca -0.04 -0.85 -0.03 0.00 0.00 0.00 0.00 61.98 61.06 1szd s VAL 219 Cb -0.05 -2.00 0.01 0.00 0.00 0.00 0.00 36.38 34.34 1szd s VAL 219 CO -0.05 0.52 -0.06 -0.63 0.00 0.00 0.00 175.10 174.87 1szd s ILE 220 N 1.32 3.04 -0.24 2.22 1.01 -0.05 -0.92 121.20 127.59 1szd s ILE 220 Ca 0.05 -0.77 -0.12 0.00 0.00 0.00 0.00 60.65 59.81 1szd s ILE 220 Cb -0.13 -2.44 -0.05 0.00 0.01 0.00 0.00 42.46 39.85 1szd s ILE 220 CO -0.11 0.33 0.23 -0.69 0.00 0.00 0.00 174.94 174.70 1szd s VAL 221 N 1.40 5.31 -0.04 2.92 1.01 0.70 -1.44 120.40 130.26 1szd s VAL 221 Ca 0.03 0.32 0.01 0.00 0.00 0.00 0.00 61.98 62.35 1szd s VAL 221 Cb -0.15 -3.57 0.02 0.00 0.00 0.00 0.00 36.38 32.68 1szd s VAL 221 CO -0.05 0.30 -0.06 -0.69 0.00 0.00 0.00 175.10 174.60 1szd s VAL 222 N 1.27 0.60 -1.39 2.92 1.01 0.34 -0.47 120.40 124.68 1szd s VAL 222 Ca 0.10 -0.19 -0.07 0.00 0.00 0.00 0.00 61.98 61.82 1szd s VAL 222 Cb -0.14 -0.59 0.03 0.00 0.00 0.00 0.00 36.38 35.68 1szd s VAL 222 CO 0.06 0.23 0.93 0.61 0.00 0.00 0.00 175.10 176.93 1szd n GLY 223 N 3.79 -0.42 2.96 4.51 0.00 -0.77 -1.68 105.19 113.59 1szd n GLY 223 Ca -0.23 0.17 -0.15 0.00 0.00 0.00 0.00 46.02 45.81 1szd n GLY 223 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 1szd s THR 224 N -3.43 0.38 -1.98 2.61 -1.32 -1.26 -0.58 115.64 110.06 1szd s THR 224 Ca 0.36 -0.33 0.29 0.00 -1.21 0.00 0.00 61.69 60.79 1szd s THR 224 Cb -0.18 -0.35 0.51 0.00 -1.51 0.00 0.00 72.50 70.98 1szd s THR 224 CO 0.79 0.02 1.82 -1.54 -2.21 0.00 0.00 174.62 173.51 1szd n SER 225 N 2.73 0.83 -4.03 8.08 3.41 -1.26 -4.91 113.62 118.46 1szd n SER 225 Ca -0.14 -0.98 -0.29 0.00 -0.26 0.00 0.00 58.87 57.19 1szd n SER 225 Cb 0.58 0.00 -0.02 0.00 -0.26 0.00 0.00 64.21 64.51 1szd n SER 225 CO 0.00 0.00 0.00 0.18 -0.16 0.00 0.00 175.04 175.06 1szd n LEU 226 N -0.55 -2.09 -0.30 1.04 4.77 -1.26 -4.32 117.00 114.29 1szd n LEU 226 Ca 0.17 -0.99 0.05 0.00 -0.03 0.00 0.00 56.01 55.20 1szd n LEU 226 Cb 0.29 -2.21 0.02 0.00 -2.33 0.00 0.00 43.42 39.19 1szd n LEU 226 CO 0.21 0.39 0.31 0.00 -1.33 0.00 0.00 177.39 176.97 1szd n ALA 227 N -4.42 2.62 -3.67 -1.18 0.00 -1.26 -4.67 120.51 107.93 1szd n ALA 227 Ca -0.17 -0.50 -0.34 0.00 0.00 0.00 0.00 53.44 52.44 1szd n ALA 227 Cb 0.61 -0.32 -0.15 0.00 0.00 0.00 0.00 19.45 19.60 1szd n ALA 227 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 1szd s VAL 228 N -1.01 2.75 0.22 0.00 1.01 -1.26 -5.02 120.40 117.08 1szd s VAL 228 Ca 0.09 -0.72 0.05 0.00 0.00 0.00 0.00 61.98 61.41 1szd s VAL 228 Cb 0.08 -2.20 -0.03 0.00 0.00 0.00 0.00 36.38 34.22 1szd s VAL 228 CO 0.17 0.49 0.28 -0.31 0.00 0.00 0.00 175.10 175.73 1szd s TYR 229 N 1.20 3.35 -1.89 5.22 1.51 -1.26 -0.42 117.35 125.06 1szd s TYR 229 Ca 0.02 -0.01 0.29 0.00 -1.01 0.00 0.00 57.07 56.36 1szd s TYR 229 Cb -0.14 -1.54 1.69 0.00 -0.11 0.00 0.00 41.96 41.85 1szd s TYR 229 CO -0.05 0.48 2.06 -0.35 -1.11 0.00 0.00 175.55 176.58 1szd n PRO 230 N -1.08 0.82 -0.29 -1.71 -0.04 -1.26 -4.86 135.00 126.58 1szd n PRO 230 Ca -0.08 0.00 0.03 0.00 -0.04 0.00 0.00 63.50 63.42 1szd n PRO 230 Cb 0.56 -1.50 0.17 0.00 -0.04 0.00 0.00 33.50 32.70 1szd n PRO 230 CO 0.00 0.00 0.00 0.35 -0.04 0.00 0.00 175.50 175.81 1szd h PHE 231 N 0.00 0.84 0.00 0.54 3.57 -1.97 -0.61 116.94 119.31 1szd h PHE 231 Ca 0.00 0.03 0.00 0.00 3.53 0.00 0.00 57.97 61.53 1szd h PHE 231 Cb 0.05 -0.25 0.00 0.00 2.79 0.00 0.00 35.95 38.54 1szd h PHE 231 CO 0.00 0.32 0.00 0.00 -2.23 0.00 0.00 178.31 176.40 1szd n ALA 232 N -2.38 1.28 0.39 2.41 0.00 0.44 -2.11 120.51 120.55 1szd n ALA 232 Ca 0.14 0.10 0.13 0.00 0.00 0.00 0.00 53.44 53.82 1szd n ALA 232 Cb 0.30 -1.27 0.41 0.00 0.00 0.00 0.00 19.45 18.88 1szd n ALA 232 CO 0.00 0.00 0.00 0.77 0.00 0.00 0.00 177.50 178.27 1szd h SER 233 N 0.00 0.00 -0.42 0.00 0.02 -1.38 -3.36 113.55 108.41 1szd h SER 233 Ca 0.00 0.00 0.03 0.00 -0.84 0.00 0.00 61.79 60.98 1szd h SER 233 Cb 0.13 0.00 -0.04 0.00 0.14 0.00 0.00 62.40 62.64 1szd h SER 233 CO 0.00 0.00 0.21 -0.07 -1.14 0.00 0.00 176.83 175.83 1szd h LEU 234 N 0.00 0.31 -0.44 5.07 3.38 -1.56 -2.94 115.31 119.13 1szd h LEU 234 Ca 0.00 0.02 0.06 0.00 0.09 0.00 0.00 57.88 58.05 1szd h LEU 234 Cb 0.70 -0.04 -0.05 0.00 0.09 0.00 0.00 40.66 41.37 1szd h LEU 234 CO 0.00 0.22 0.14 -0.65 0.09 0.00 0.00 178.44 178.25 1szd h PRO 235 N 0.43 0.30 0.00 1.13 0.11 -1.82 -1.82 132.00 130.33 1szd h PRO 235 Ca 0.18 -0.02 -0.04 0.00 0.11 0.00 0.00 66.00 66.23 1szd h PRO 235 Cb 0.09 -0.07 -0.01 0.00 0.11 0.00 0.00 31.00 31.12 1szd h PRO 235 CO -0.13 0.20 -0.21 1.05 -0.21 0.00 0.00 178.00 178.70 1szd h GLU 236 N 0.30 0.00 -0.00 1.05 4.11 -1.80 -2.42 114.58 115.82 1szd h GLU 236 Ca 0.21 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.64 1szd h GLU 236 Cb 0.22 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.47 1szd h GLU 236 CO -0.23 0.21 -0.02 0.39 0.07 0.00 0.00 179.01 179.43 1szd n GLU 237 N -3.66 0.96 -2.40 1.06 1.02 -0.71 -4.82 120.64 112.10 1szd n GLU 237 Ca -0.01 -0.20 -0.41 0.00 -0.02 0.00 0.00 57.16 56.52 1szd n GLU 237 Cb 0.33 -1.50 -0.04 0.00 -0.02 0.00 0.00 31.44 30.22 1szd n GLU 237 CO 0.00 0.00 0.00 0.42 1.18 0.00 0.00 177.13 178.73 1szd s ILE 238 N -2.17 3.53 0.29 -3.67 1.01 -0.91 -4.95 121.20 114.32 1szd s ILE 238 Ca 0.40 1.36 -0.30 0.00 0.00 0.00 0.00 60.65 62.11 1szd s ILE 238 Cb 0.21 -3.87 -0.13 0.00 0.01 0.00 0.00 42.46 38.69 1szd s ILE 238 CO 0.40 0.26 1.43 -2.65 0.00 0.00 0.00 174.94 174.37 1szd n PRO 239 N 2.03 2.26 -0.04 2.79 -0.02 -1.26 -4.85 135.00 135.92 1szd n PRO 239 Ca 0.02 0.80 0.16 0.00 -2.02 0.00 0.00 63.50 62.47 1szd n PRO 239 Cb 0.45 -2.47 0.60 0.00 -0.02 0.00 0.00 33.50 32.05 1szd n PRO 239 CO 0.00 0.00 0.00 -0.09 1.98 0.00 0.00 175.50 177.39 1szd h ARG 240 N 3.84 0.19 -0.06 -0.52 2.43 -1.93 0.92 114.38 119.26 1szd h ARG 240 Ca -0.46 -0.01 0.00 0.00 -0.81 0.00 0.00 59.98 58.70 1szd h ARG 240 Cb 1.26 -0.04 0.00 0.00 -0.42 0.00 0.00 29.97 30.77 1szd h ARG 240 CO 0.72 0.13 0.00 1.63 -1.51 0.00 0.00 179.97 180.94 1szd n LYS 241 N -4.44 1.22 -3.90 0.20 5.02 -1.26 -4.69 118.16 110.31 1szd n LYS 241 Ca 0.10 -0.33 -0.35 0.00 -2.02 0.00 0.00 58.31 55.70 1szd n LYS 241 Cb 0.48 -1.28 -0.13 0.00 -0.02 0.00 0.00 35.03 34.09 1szd n LYS 241 CO 0.00 0.00 0.00 0.08 -0.52 0.00 0.00 177.40 176.96 1szd s VAL 242 N -1.92 3.80 0.17 -0.18 1.01 0.32 -4.98 120.40 118.62 1szd s VAL 242 Ca 0.25 -0.35 -0.32 0.00 0.00 0.00 0.00 61.98 61.56 1szd s VAL 242 Cb 0.12 -2.74 -0.11 0.00 0.00 0.00 0.00 36.38 33.65 1szd s VAL 242 CO 0.19 0.40 1.71 -0.75 0.00 0.00 0.00 175.10 176.65 1szd s LYS 243 N 1.41 4.15 -0.09 2.72 2.20 -1.26 -4.78 119.74 124.09 1szd s LYS 243 Ca 0.05 2.54 -0.02 0.00 -0.36 0.00 0.00 55.97 58.17 1szd s LYS 243 Cb -0.15 -3.22 -0.03 0.00 -1.51 0.00 0.00 37.83 32.92 1szd s LYS 243 CO 0.00 -0.74 0.01 1.03 -0.36 0.00 0.00 175.35 175.30 1szd s ARG 244 N 1.56 3.03 -0.03 4.03 0.52 -1.26 -2.47 118.95 124.33 1szd s ARG 244 Ca 0.75 -0.39 0.05 0.00 -0.52 0.00 0.00 55.73 55.62 1szd s ARG 244 Cb -0.47 -2.83 -0.01 0.00 0.52 0.00 0.00 34.95 32.16 1szd s ARG 244 CO 0.33 0.70 -0.17 0.08 0.02 0.00 0.00 175.30 176.25 1szd s VAL 245 N -0.87 1.43 -0.17 3.52 1.01 -0.09 -1.61 120.40 123.61 1szd s VAL 245 Ca 0.13 -0.74 0.01 0.00 0.00 0.00 0.00 61.98 61.38 1szd s VAL 245 Cb -0.11 -1.22 0.03 0.00 0.00 0.00 0.00 36.38 35.08 1szd s VAL 245 CO 0.02 0.41 -0.15 -0.22 0.00 0.00 0.00 175.10 175.17 1szd s LEU 246 N -0.12 2.00 -0.38 3.92 2.96 -0.20 -0.21 118.68 126.65 1szd s LEU 246 Ca -0.00 -0.65 -0.04 0.00 -0.22 0.00 0.00 54.13 53.22 1szd s LEU 246 Cb -0.10 -1.29 0.09 0.00 0.50 0.00 0.00 46.19 45.39 1szd s LEU 246 CO 0.01 -0.06 0.15 0.00 -1.32 0.00 0.00 176.35 175.13 1szd s ASN 248 N 1.69 -0.57 0.56 0.00 2.47 -0.82 -1.84 114.94 116.43 1szd s ASN 248 Ca 0.04 0.59 0.31 0.00 0.42 0.00 0.00 52.86 54.22 1szd s ASN 248 Cb -0.22 0.50 1.67 0.00 -1.45 0.00 0.00 41.25 41.76 1szd s ASN 248 CO -0.02 -0.59 2.15 -0.07 -3.72 0.00 0.00 177.10 174.84 1szd h LEU 249 N 3.12 0.00 -8.30 3.21 3.38 -1.85 -3.31 115.31 111.57 1szd h LEU 249 Ca -0.28 0.00 -0.27 0.00 0.09 0.00 0.00 57.88 57.42 1szd h LEU 249 Cb 1.15 0.00 -0.19 0.00 0.09 0.00 0.00 40.66 41.71 1szd h LEU 249 CO 0.39 0.07 -0.72 -1.61 0.09 0.00 0.00 178.44 176.66 1szd s GLU 250 N -4.21 0.68 -0.14 1.13 2.02 -1.26 -4.85 118.70 112.06 1szd s GLU 250 Ca -0.03 -1.00 -0.28 0.00 0.02 0.00 0.00 54.97 53.68 1szd s GLU 250 Cb 0.13 -0.32 -0.01 0.00 0.10 0.00 0.00 34.13 34.03 1szd s GLU 250 CO 0.55 0.04 0.97 0.99 0.02 0.00 0.00 175.26 177.82 1szd s THR 251 N -2.21 4.79 0.28 3.63 2.01 -1.26 -5.02 115.64 117.87 1szd s THR 251 Ca -0.01 1.94 0.02 0.00 0.31 0.00 0.00 61.69 63.95 1szd s THR 251 Cb -0.04 -4.27 -0.05 0.00 0.01 0.00 0.00 72.50 68.15 1szd s THR 251 CO -0.01 -0.02 0.11 0.68 -0.69 0.00 0.00 174.62 174.69 1szd s VAL 252 N 2.22 0.58 0.00 3.82 -7.23 -1.26 -4.76 120.40 113.77 1szd s VAL 252 Ca 0.45 -2.00 0.00 0.00 -1.81 0.00 0.00 61.98 58.62 1szd s VAL 252 Cb -0.17 -2.62 0.00 0.00 0.56 0.00 0.00 36.38 34.15 1szd s VAL 252 CO 0.15 0.00 0.00 0.61 -0.31 0.00 0.00 175.10 175.55 1szd n GLY 253 N -0.53 2.53 0.30 2.32 0.00 -1.26 -1.99 105.19 106.57 1szd n GLY 253 Ca -0.00 -0.20 0.19 0.00 0.00 0.00 0.00 46.02 46.01 1szd n GLY 253 CO 0.00 0.00 0.00 -1.80 0.00 0.00 0.00 173.32 171.52 1szd h ASP 254 N 2.67 0.00 1.12 1.61 3.58 -1.92 0.50 116.42 123.99 1szd h ASP 254 Ca 0.00 0.00 -0.01 0.00 0.42 0.00 0.00 57.03 57.44 1szd h ASP 254 Cb 0.00 0.00 -0.00 0.00 1.72 0.00 0.00 39.33 41.05 1szd h ASP 254 CO 0.00 0.03 -0.07 -0.26 -2.88 0.00 0.00 179.24 176.06 1szd h PHE 255 N 0.00 0.00 0.01 0.28 -1.00 -1.69 -0.90 116.94 113.64 1szd h PHE 255 Ca -0.00 0.00 -0.42 0.00 2.81 0.00 0.00 57.97 60.36 1szd h PHE 255 Cb 0.23 0.00 -0.06 0.00 3.61 0.00 0.00 35.95 39.73 1szd h PHE 255 CO 0.00 0.07 -2.39 1.17 -1.61 0.00 0.00 178.31 175.55 1szd n LYS 256 N -3.18 0.62 -0.07 1.51 4.81 -0.29 -4.04 118.16 117.52 1szd n LYS 256 Ca 0.01 0.25 -0.12 0.00 -0.87 0.00 0.00 58.31 57.58 1szd n LYS 256 Cb 0.37 -1.53 -0.06 0.00 0.02 0.00 0.00 35.03 33.84 1szd n LYS 256 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 1szd h ALA 257 N -0.59 0.28 -2.03 3.14 0.00 -1.02 -3.39 119.26 115.65 1szd h ALA 257 Ca -0.62 -0.28 -0.57 0.00 0.00 0.00 0.00 54.91 53.43 1szd h ALA 257 Cb 1.70 -0.07 -0.40 0.00 0.00 0.00 0.00 17.79 19.03 1szd h ALA 257 CO -0.28 0.11 -1.02 0.09 0.00 0.00 0.00 179.25 178.15 1szd n ASN 258 N -4.57 0.80 -4.77 0.00 3.02 -0.34 -5.06 115.26 104.34 1szd n ASN 258 Ca -0.05 -2.82 -0.40 0.00 -0.03 0.00 0.00 54.58 51.28 1szd n ASN 258 Cb 0.32 -0.65 0.01 0.00 -0.61 0.00 0.00 39.78 38.86 1szd n ASN 258 CO 0.00 0.00 0.00 -0.75 -2.62 0.00 0.00 177.26 173.89 1szd s LYS 259 N -1.41 3.75 0.01 3.52 2.20 -1.22 -4.72 119.74 121.87 1szd s LYS 259 Ca 0.36 2.41 0.02 0.00 -0.36 0.00 0.00 55.97 58.40 1szd s LYS 259 Cb 0.17 -2.69 -0.04 0.00 -1.51 0.00 0.00 37.83 33.76 1szd s LYS 259 CO -0.09 -0.77 -0.00 1.03 -0.36 0.00 0.00 175.35 175.16 1szd s ARG 260 N -2.40 2.75 0.35 4.03 0.52 -1.26 -5.02 118.95 117.91 1szd s ARG 260 Ca 0.60 -0.65 0.14 0.00 -0.52 0.00 0.00 55.73 55.30 1szd s ARG 260 Cb -0.43 -2.65 1.01 0.00 0.52 0.00 0.00 34.95 33.40 1szd s ARG 260 CO 0.56 0.61 1.72 -1.35 0.02 0.00 0.00 175.30 176.86 1szd h PRO 261 N 4.20 0.44 -0.01 3.54 0.11 -1.97 0.10 132.00 138.41 1szd h PRO 261 Ca -0.49 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 65.60 1szd h PRO 261 Cb 1.17 -0.10 0.00 0.00 0.11 0.00 0.00 31.00 32.18 1szd h PRO 261 CO 0.58 0.29 -0.08 0.25 -0.21 0.00 0.00 178.00 178.83 1szd n THR 262 N -4.84 0.00 -1.84 -1.15 -2.24 -1.26 -4.92 114.28 98.03 1szd n THR 262 Ca 0.28 -0.20 -0.42 0.00 -2.27 0.00 0.00 64.05 61.45 1szd n THR 262 Cb 0.87 0.41 -0.02 0.00 -2.10 0.00 0.00 70.33 69.48 1szd n THR 262 CO 0.00 0.00 0.00 -1.81 -0.57 0.00 0.00 175.07 172.69 1szd s ASP 263 N -2.17 6.47 -0.27 3.42 1.01 0.36 -4.47 116.67 121.02 1szd s ASP 263 Ca 0.34 2.82 -0.02 0.00 0.71 0.00 0.00 52.55 56.40 1szd s ASP 263 Cb 0.20 -2.62 0.03 0.00 1.01 0.00 0.00 42.92 41.55 1szd s ASP 263 CO 0.40 -0.87 -0.03 -0.22 0.21 0.00 0.00 175.17 174.66 1szd s LEU 264 N 0.18 3.45 -0.22 1.23 2.96 -0.64 -4.95 118.68 120.69 1szd s LEU 264 Ca 0.66 -0.97 -0.10 0.00 -0.22 0.00 0.00 54.13 53.50 1szd s LEU 264 Cb -0.46 -1.70 -0.05 0.00 0.50 0.00 0.00 46.19 44.48 1szd s LEU 264 CO 0.41 -0.17 0.14 -0.63 -1.32 0.00 0.00 176.35 174.78 1szd s ILE 265 N 1.32 5.35 -0.28 6.68 1.01 -1.26 -1.03 121.20 132.98 1szd s ILE 265 Ca -0.01 0.17 0.01 0.00 0.00 0.00 0.00 60.65 60.82 1szd s ILE 265 Cb -0.18 -3.47 0.08 0.00 0.01 0.00 0.00 42.46 38.90 1szd s ILE 265 CO -0.03 0.39 0.02 -0.69 0.00 0.00 0.00 174.94 174.63 1szd s VAL 266 N 0.73 1.51 -0.78 2.92 1.01 0.13 -4.96 120.40 120.95 1szd s VAL 266 Ca 0.08 -1.53 -0.24 0.00 0.00 0.00 0.00 61.98 60.28 1szd s VAL 266 Cb -0.12 -1.96 0.05 0.00 0.00 0.00 0.00 36.38 34.35 1szd s VAL 266 CO 0.01 -0.39 1.21 -1.00 0.00 0.00 0.00 175.10 174.94 1szd s HIS 267 N 1.34 2.51 0.08 5.22 3.76 -1.25 -1.94 115.29 125.00 1szd s HIS 267 Ca 0.03 -0.45 -0.24 0.00 -0.15 0.00 0.00 55.06 54.25 1szd s HIS 267 Cb -0.18 -4.52 0.06 0.00 1.11 0.00 0.00 32.58 29.05 1szd s HIS 267 CO -0.12 -1.89 0.58 -1.14 -0.85 0.00 0.00 174.74 171.32 1szd s GLN 268 N 4.88 1.14 0.35 1.40 2.00 -1.25 -4.82 119.66 123.37 1szd s GLN 268 Ca 0.33 -0.27 -0.27 0.00 -2.00 0.00 0.00 55.36 53.15 1szd s GLN 268 Cb -0.09 0.53 -0.09 0.00 0.80 0.00 0.00 33.01 34.16 1szd s GLN 268 CO 0.07 -0.45 1.24 0.71 -0.50 0.00 0.00 175.29 176.36 1szd s TYR 269 N -2.83 3.09 0.34 1.67 1.51 -1.26 -4.24 117.35 115.63 1szd s TYR 269 Ca -0.03 1.49 0.04 0.00 -1.01 0.00 0.00 57.07 57.56 1szd s TYR 269 Cb -0.00 -3.55 0.67 0.00 -0.11 0.00 0.00 41.96 38.97 1szd s TYR 269 CO -0.05 -1.56 1.92 0.66 -1.11 0.00 0.00 175.55 175.41 1szd h SER 270 N 3.13 0.76 -0.09 2.29 4.64 -1.91 0.78 113.55 123.15 1szd h SER 270 Ca -0.49 0.01 -0.14 0.00 -0.47 0.00 0.00 61.79 60.70 1szd h SER 270 Cb 1.23 -0.15 -0.01 0.00 -0.31 0.00 0.00 62.40 63.16 1szd h SER 270 CO 0.64 0.47 -0.43 0.44 -0.87 0.00 0.00 176.83 177.09 1szd h ASP 271 N 0.85 0.68 -0.35 4.97 3.32 -1.93 -0.62 116.42 123.34 1szd h ASP 271 Ca 0.37 -0.31 -0.16 0.00 0.02 0.00 0.00 57.03 56.95 1szd h ASP 271 Cb 0.33 -0.19 -0.01 0.00 0.22 0.00 0.00 39.33 39.69 1szd h ASP 271 CO -0.14 1.02 -0.40 -0.08 -1.72 0.00 0.00 179.24 177.91 1szd h GLU 272 N 0.51 0.91 -0.45 3.56 4.57 -1.69 -1.35 114.58 120.65 1szd h GLU 272 Ca 0.04 -0.49 0.02 0.00 -1.18 0.00 0.00 59.36 57.76 1szd h GLU 272 Cb 0.95 0.02 -0.03 0.00 -0.16 0.00 0.00 28.75 29.53 1szd h GLU 272 CO 0.09 1.14 0.26 0.35 -1.18 0.00 0.00 179.01 179.66 1szd h PHE 273 N 0.74 0.49 -0.21 0.92 3.57 -0.71 -0.18 116.94 121.56 1szd h PHE 273 Ca 0.06 0.02 0.01 0.00 3.53 0.00 0.00 57.97 61.58 1szd h PHE 273 Cb 0.99 -0.16 -0.01 0.00 2.79 0.00 0.00 35.95 39.56 1szd h PHE 273 CO 0.06 0.28 0.13 0.00 -2.23 0.00 0.00 178.31 176.55 1szd h ALA 274 N 1.21 0.26 -0.31 2.41 0.00 -0.87 0.11 119.26 122.06 1szd h ALA 274 Ca 0.18 -0.01 0.04 0.00 0.00 0.00 0.00 54.91 55.13 1szd h ALA 274 Cb 0.02 -0.06 -0.04 0.00 0.00 0.00 0.00 17.79 17.71 1szd h ALA 274 CO -0.09 -0.28 0.07 1.49 0.00 0.00 0.00 179.25 180.45 1szd h GLU 275 N 0.26 0.19 -0.46 0.00 4.57 -0.81 -0.90 114.58 117.43 1szd h GLU 275 Ca 0.08 -0.01 -0.11 0.00 -1.18 0.00 0.00 59.36 58.14 1szd h GLU 275 Cb -0.01 -0.04 -0.02 0.00 -0.16 0.00 0.00 28.75 28.52 1szd h GLU 275 CO -0.03 0.12 -0.14 1.96 -1.18 0.00 0.00 179.01 179.74 1szd h GLN 276 N 0.19 0.86 -0.40 1.92 4.20 -0.73 -2.28 115.11 118.86 1szd h GLN 276 Ca 0.15 -0.31 -0.15 0.00 0.06 0.00 0.00 58.65 58.39 1szd h GLN 276 Cb 0.15 -0.06 -0.01 0.00 0.30 0.00 0.00 27.48 27.86 1szd h GLN 276 CO -0.18 0.95 -0.33 1.25 -0.67 0.00 0.00 178.83 179.85 1szd h LEU 277 N 0.76 0.99 -1.17 1.46 5.85 -0.50 -1.60 115.31 121.10 1szd h LEU 277 Ca 0.12 -0.45 -0.06 0.00 0.84 0.00 0.00 57.88 58.33 1szd h LEU 277 Cb 0.66 -0.28 -0.02 0.00 0.37 0.00 0.00 40.66 41.40 1szd h LEU 277 CO 0.05 1.23 -0.05 0.58 -0.34 0.00 0.00 178.44 179.91 1szd h VAL 278 N 0.76 1.21 -0.11 1.05 2.07 -1.12 -0.98 116.25 119.14 1szd h VAL 278 Ca 0.07 -0.87 -0.02 0.00 0.82 0.00 0.00 66.70 66.70 1szd h VAL 278 Cb 0.92 1.02 -0.00 0.00 -1.52 0.00 0.00 31.29 31.70 1szd h VAL 278 CO 0.09 0.29 0.00 -0.08 0.02 0.00 0.00 177.57 177.89 1szd h GLU 279 N 0.49 0.19 0.00 1.57 4.57 -1.16 -1.28 114.58 118.96 1szd h GLU 279 Ca 0.10 -0.06 -0.06 0.00 -1.18 0.00 0.00 59.36 58.17 1szd h GLU 279 Cb 0.39 -0.02 -0.01 0.00 -0.16 0.00 0.00 28.75 28.96 1szd h GLU 279 CO 0.02 0.43 -0.27 0.93 -1.18 0.00 0.00 179.01 178.93 1szd h GLU 280 N -0.08 0.00 0.00 1.92 4.39 -1.01 -2.47 114.58 117.32 1szd h GLU 280 Ca 0.03 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.73 1szd h GLU 280 Cb 0.34 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.99 1szd h GLU 280 CO 0.00 0.27 -0.33 -0.07 -1.16 0.00 0.00 179.01 177.73 1szd h LEU 281 N 0.00 0.00 0.32 1.33 3.38 -1.05 -3.48 115.31 115.81 1szd h LEU 281 Ca -0.00 -0.05 -0.07 0.00 0.09 0.00 0.00 57.88 57.85 1szd h LEU 281 Cb 0.55 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.29 1szd h LEU 281 CO 0.04 0.02 -0.07 0.61 0.09 0.00 0.00 178.44 179.13 1szd n GLY 282 N 1.23 0.43 1.79 0.83 0.00 -0.54 -4.94 105.19 103.98 1szd n GLY 282 Ca 0.03 -0.83 -0.09 0.00 0.00 0.00 0.00 46.02 45.13 1szd n GLY 282 CO 0.00 0.00 0.00 0.79 0.00 0.00 0.00 173.32 174.11 1szd n TRP 283 N -3.47 2.22 -0.25 1.61 8.01 -0.83 -4.65 117.44 120.09 1szd n TRP 283 Ca -0.04 -1.43 0.00 0.00 -1.31 0.00 0.00 57.50 54.72 1szd n TRP 283 Cb 0.33 -0.69 0.12 0.00 -2.01 0.00 0.00 31.31 29.06 1szd n TRP 283 CO 0.00 0.00 0.00 1.96 -1.01 0.00 0.00 177.69 178.64 1szd h GLN 284 N 1.78 0.67 0.34 -0.99 7.50 -1.91 -0.60 115.11 121.89 1szd h GLN 284 Ca 0.34 -0.04 -0.01 0.00 0.50 0.00 0.00 58.65 59.43 1szd h GLN 284 Cb 2.27 -0.15 -0.00 0.00 0.05 0.00 0.00 27.48 29.65 1szd h GLN 284 CO 0.73 0.44 -0.19 1.49 -1.50 0.00 0.00 178.83 179.79 1szd h GLU 285 N 0.69 -0.48 -0.66 1.46 4.81 -1.95 0.21 114.58 118.66 1szd h GLU 285 Ca 0.33 0.03 -0.05 0.00 -0.13 0.00 0.00 59.36 59.55 1szd h GLU 285 Cb 0.27 0.11 -0.03 0.00 0.63 0.00 0.00 28.75 29.73 1szd h GLU 285 CO -0.22 -0.32 0.21 -0.44 -0.73 0.00 0.00 179.01 177.51 1szd h ASP 286 N -0.50 0.93 -0.36 1.04 3.32 -1.88 -2.21 116.42 116.75 1szd h ASP 286 Ca -0.04 -0.16 -0.04 0.00 0.02 0.00 0.00 57.03 56.82 1szd h ASP 286 Cb 0.40 -0.24 -0.01 0.00 0.22 0.00 0.00 39.33 39.70 1szd h ASP 286 CO 0.05 0.86 0.07 0.15 -1.72 0.00 0.00 179.24 178.66 1szd h PHE 287 N 0.97 0.63 -0.82 4.55 3.57 -0.89 -2.34 116.94 122.59 1szd h PHE 287 Ca 0.22 -0.08 0.05 0.00 3.53 0.00 0.00 57.97 61.69 1szd h PHE 287 Cb 0.26 -0.17 -0.05 0.00 2.79 0.00 0.00 35.95 38.78 1szd h PHE 287 CO 0.02 0.63 0.54 1.49 -2.23 0.00 0.00 178.31 178.76 1szd h GLU 288 N 0.44 0.92 -0.64 1.11 4.57 -0.32 -1.05 114.58 119.61 1szd h GLU 288 Ca 0.11 -0.06 -0.03 0.00 -1.18 0.00 0.00 59.36 58.20 1szd h GLU 288 Cb 0.33 -0.21 -0.03 0.00 -0.16 0.00 0.00 28.75 28.68 1szd h GLU 288 CO 0.00 0.61 0.27 0.87 -1.18 0.00 0.00 179.01 179.59 1szd h LYS 289 N 0.95 0.95 -0.16 1.92 1.57 -1.02 -1.21 116.57 119.57 1szd h LYS 289 Ca 0.34 -0.16 -0.02 0.00 -1.87 0.00 0.00 60.65 58.95 1szd h LYS 289 Cb 0.15 -0.16 -0.01 0.00 0.08 0.00 0.00 32.23 32.30 1szd h LYS 289 CO -0.12 0.78 0.03 0.82 -0.57 0.00 0.00 179.45 180.40 1szd h ILE 290 N 0.90 1.21 -0.55 1.86 2.04 -0.77 -0.93 117.51 121.26 1szd h ILE 290 Ca 0.22 -0.69 -0.02 0.00 1.00 0.00 0.00 64.86 65.37 1szd h ILE 290 Cb 0.18 1.37 -0.03 0.00 -0.74 0.00 0.00 36.82 37.60 1szd h ILE 290 CO -0.02 0.21 0.28 -0.07 0.00 0.00 0.00 178.15 178.54 1szd h LEU 291 N 0.05 0.68 -0.05 1.44 3.38 -1.08 -1.75 115.31 117.98 1szd h LEU 291 Ca 0.05 -0.06 0.00 0.00 0.09 0.00 0.00 57.88 57.96 1szd h LEU 291 Cb 0.29 -0.17 0.00 0.00 0.09 0.00 0.00 40.66 40.87 1szd h LEU 291 CO 0.00 0.57 -0.24 0.35 0.09 0.00 0.00 178.44 179.21 1szd n THR 292 N -4.38 0.00 1.79 0.22 -2.24 -0.47 -5.11 114.28 104.09 1szd n THR 292 Ca 0.05 -0.01 0.15 0.00 -2.27 0.00 0.00 64.05 61.97 1szd n THR 292 Cb 0.11 -0.08 0.77 0.00 -2.10 0.00 0.00 70.33 69.03 1szd n THR 292 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50