#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1x0p s LEU 8003N 0.00 4.23 0.15 0.99 2.96 -1.26 -3.02 118.68 122.73 1x0p s LEU 8003Ca 0.00 1.44 0.03 0.00 -0.22 0.00 0.00 54.13 55.38 1x0p s LEU 8003Cb 0.00 -3.47 -0.05 0.00 0.50 0.00 0.00 46.19 43.17 1x0p s LEU 8003CO 0.00 -0.44 -0.05 -1.00 -1.32 0.00 0.00 176.35 173.54 1x0p s HIS 8004N 2.07 1.21 -0.05 5.38 3.76 0.23 -0.98 115.29 126.90 1x0p s HIS 8004Ca 0.46 -0.88 0.03 0.00 -0.15 0.00 0.00 55.06 54.52 1x0p s HIS 8004Cb -0.18 -0.66 0.00 0.00 1.11 0.00 0.00 32.58 32.85 1x0p s HIS 8004CO 0.16 -0.06 -0.16 0.50 -0.85 0.00 0.00 174.74 174.34 1x0p s ARG 8005N -3.82 1.81 0.01 1.40 3.52 0.51 -1.23 118.95 121.14 1x0p s ARG 8005Ca 0.19 -0.55 0.05 0.00 -0.13 0.00 0.00 55.73 55.30 1x0p s ARG 8005Cb 0.04 -1.52 -0.03 0.00 -1.56 0.00 0.00 34.95 31.88 1x0p s ARG 8005CO 0.01 0.15 -0.14 -1.17 -0.81 0.00 0.00 175.30 173.35 1x0p s LEU 8006N 0.29 2.80 -0.02 -0.88 2.96 0.11 -2.21 118.68 121.72 1x0p s LEU 8006Ca -0.09 -0.29 0.00 0.00 -0.22 0.00 0.00 54.13 53.53 1x0p s LEU 8006Cb -0.13 -1.61 0.03 0.00 0.50 0.00 0.00 46.19 44.97 1x0p s LEU 8006CO 0.03 0.29 0.03 -0.63 -1.32 0.00 0.00 176.35 174.74 1x0p s ILE 8007N -0.90 -0.05 0.24 6.68 1.01 -0.33 -0.81 121.20 127.03 1x0p s ILE 8007Ca 0.15 0.20 -0.07 0.00 0.00 0.00 0.00 60.65 60.93 1x0p s ILE 8007Cb -0.11 -0.07 -0.02 0.00 0.01 0.00 0.00 42.46 42.27 1x0p s ILE 8007CO 0.05 0.08 0.33 -0.72 0.00 0.00 0.00 174.94 174.68 1x0p s TYR 8008N 0.97 0.77 0.06 3.97 -0.85 -0.89 0.43 117.35 121.82 1x0p s TYR 8008Ca -0.08 -1.05 -0.01 0.00 -0.52 0.00 0.00 57.07 55.41 1x0p s TYR 8008Cb -0.12 -0.16 -0.04 0.00 0.38 0.00 0.00 41.96 42.03 1x0p s TYR 8008CO -0.03 -0.85 -0.04 -0.48 -1.52 0.00 0.00 175.55 172.63 1x0p s LEU 8009N -3.10 2.48 0.17 -3.49 0.05 0.54 -2.32 118.68 113.01 1x0p s LEU 8009Ca 0.30 -0.98 -0.24 0.00 0.05 0.00 0.00 54.13 53.26 1x0p s LEU 8009Cb 0.03 0.15 0.06 0.00 -2.05 0.00 0.00 46.19 44.38 1x0p s LEU 8009CO 0.11 -0.57 0.79 -0.94 -0.55 0.00 0.00 176.35 175.20 1x0p s SER 8010N -2.88 -0.32 -0.20 1.48 1.04 -0.57 -0.26 113.70 111.99 1x0p s SER 8010Ca 0.07 -0.32 -0.09 0.00 0.48 0.00 0.00 55.95 56.09 1x0p s SER 8010Cb 0.07 0.57 -0.04 0.00 0.10 0.00 0.00 66.02 66.72 1x0p s SER 8010CO -0.09 -1.02 0.10 0.00 0.98 0.00 0.00 173.24 173.21 1x0p s ALA 8012N 0.48 3.40 0.31 0.00 0.00 -0.57 -0.95 121.76 124.44 1x0p s ALA 8012Ca 0.05 1.02 -0.29 0.00 0.00 0.00 0.00 51.96 52.75 1x0p s ALA 8012Cb -0.12 -3.38 -0.10 0.00 0.00 0.00 0.00 23.12 19.51 1x0p s ALA 8012CO 0.00 -0.37 1.37 0.99 0.00 0.00 0.00 175.76 177.75 1x0p s THR 8013N -1.20 2.61 0.28 0.00 2.01 0.21 -4.88 115.64 114.68 1x0p s THR 8013Ca 0.48 0.58 -0.30 0.00 0.31 0.00 0.00 61.69 62.76 1x0p s THR 8013Cb -0.34 -3.37 -0.12 0.00 0.01 0.00 0.00 72.50 68.67 1x0p s THR 8013CO 0.44 0.13 1.52 0.47 -0.69 0.00 0.00 174.62 176.49 1x0p n ASP 8014N 1.20 3.45 0.00 3.53 8.00 -1.26 -1.94 116.55 129.52 1x0p n ASP 8014Ca 0.02 1.15 0.00 0.00 0.71 0.00 0.00 54.79 56.67 1x0p n ASP 8014Cb 0.41 -1.53 0.00 0.00 -0.02 0.00 0.00 41.12 39.98 1x0p n ASP 8014CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1x0p n GLY 8015N 2.09 0.09 3.68 0.44 0.00 -1.26 -5.04 105.19 105.19 1x0p n GLY 8015Ca 0.09 0.00 -0.49 0.00 0.00 0.00 0.00 46.02 45.63 1x0p n GLY 8015CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22 1x0p n LEU 8016N 0.00 3.19 -4.84 0.99 7.94 -0.82 -4.97 117.00 118.49 1x0p n LEU 8016Ca 0.00 1.02 -0.21 0.00 -1.11 0.00 0.00 56.01 55.70 1x0p n LEU 8016Cb 0.00 -1.36 -0.04 0.00 0.53 0.00 0.00 43.42 42.55 1x0p n LEU 8016CO 0.00 -0.19 -0.05 -0.94 -1.11 0.00 0.00 177.39 175.10 1x0p s SER 8017N 3.05 4.99 0.19 1.96 1.04 -1.26 -5.03 113.70 118.64 1x0p s SER 8017Ca 0.89 -0.75 -0.12 0.00 0.48 0.00 0.00 55.95 56.46 1x0p s SER 8017Cb -0.73 -0.64 0.14 0.00 0.10 0.00 0.00 66.02 64.89 1x0p s SER 8017CO 0.49 -0.56 1.83 0.22 0.98 0.00 0.00 173.24 176.20 1x0p h TYR 8018N 1.15 0.70 -0.87 5.02 5.03 -1.99 -2.36 116.97 123.66 1x0p h TYR 8018Ca -0.42 0.02 0.07 0.00 2.58 0.00 0.00 58.73 60.98 1x0p h TYR 8018Cb 1.26 -0.23 -0.06 0.00 1.55 0.00 0.00 36.73 39.25 1x0p h TYR 8018CO 0.54 0.40 0.53 -1.00 -1.32 0.00 0.00 178.16 177.31 1x0p h PRO 8019N 0.73 0.93 -0.18 1.82 0.13 -1.98 0.35 132.00 133.80 1x0p h PRO 8019Ca 0.24 -0.06 -0.01 0.00 -0.87 0.00 0.00 66.00 65.31 1x0p h PRO 8019Cb 0.02 -0.21 -0.01 0.00 0.13 0.00 0.00 31.00 30.93 1x0p h PRO 8019CO -0.10 0.61 0.07 -0.44 -0.23 0.00 0.00 178.00 177.92 1x0p h ASP 8020N 0.95 0.21 0.71 1.44 3.32 -1.84 0.30 116.42 121.52 1x0p h ASP 8020Ca 0.39 -0.01 -0.20 0.00 0.02 0.00 0.00 57.03 57.22 1x0p h ASP 8020Cb 0.21 -0.05 -0.02 0.00 0.22 0.00 0.00 39.33 39.69 1x0p h ASP 8020CO -0.19 0.20 -0.93 -0.07 -1.72 0.00 0.00 179.24 176.53 1x0p h LEU 8021N 0.25 0.18 -0.89 1.55 3.38 -0.41 -2.68 115.31 116.68 1x0p h LEU 8021Ca 0.06 -0.16 -0.11 0.00 0.09 0.00 0.00 57.88 57.76 1x0p h LEU 8021Cb 0.05 -0.06 -0.01 0.00 0.09 0.00 0.00 40.66 40.73 1x0p h LEU 8021CO -0.01 1.01 -0.44 0.03 0.09 0.00 0.00 178.44 179.11 1x0p h ARG 8022N 0.06 0.24 -0.10 1.13 3.08 0.12 -2.04 114.38 116.88 1x0p h ARG 8022Ca -0.04 -0.12 -0.18 0.00 0.07 0.00 0.00 59.98 59.71 1x0p h ARG 8022Cb 1.59 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 31.64 1x0p h ARG 8022CO 0.14 0.65 -0.69 0.22 -1.07 0.00 0.00 179.97 179.22 1x0p h ASP 8023N 0.20 0.49 0.56 7.04 3.58 -0.96 -2.39 116.42 124.94 1x0p h ASP 8023Ca 0.01 -0.31 -0.03 0.00 0.42 0.00 0.00 57.03 57.13 1x0p h ASP 8023Cb 0.87 -0.14 0.01 0.00 1.72 0.00 0.00 39.33 41.78 1x0p h ASP 8023CO 0.07 1.03 -0.27 0.40 -2.88 0.00 0.00 179.24 177.59 1x0p h ILE 8024N 0.29 0.35 -0.75 2.25 2.04 -1.21 -1.86 117.51 118.63 1x0p h ILE 8024Ca -0.02 -0.30 0.15 0.00 1.00 0.00 0.00 64.86 65.69 1x0p h ILE 8024Cb 1.25 0.45 -0.05 0.00 -0.74 0.00 0.00 36.82 37.73 1x0p h ILE 8024CO 0.12 0.04 0.50 0.24 0.00 0.00 0.00 178.15 179.05 1x0p h MET 8025N -0.97 0.39 0.38 2.37 2.86 -1.43 0.33 114.93 118.86 1x0p h MET 8025Ca -0.08 -0.02 -0.02 0.00 -2.06 0.00 0.00 59.70 57.52 1x0p h MET 8025Cb 0.64 -0.09 0.00 0.00 0.06 0.00 0.00 31.60 32.22 1x0p h MET 8025CO 0.13 0.25 -0.18 0.00 1.06 0.00 0.00 176.91 178.17 1x0p h ALA 8026N 1.65 -0.51 0.00 6.32 0.00 -1.24 -0.48 119.26 125.00 1x0p h ALA 8026Ca 0.37 -0.18 -0.06 0.00 0.00 0.00 0.00 54.91 55.03 1x0p h ALA 8026Cb 0.86 0.20 -0.01 0.00 0.00 0.00 0.00 17.79 18.84 1x0p h ALA 8026CO -0.11 -0.66 -0.31 1.57 0.00 0.00 0.00 179.25 179.74 1x0p h LYS 8027N -0.78 0.00 -0.16 0.00 2.10 -0.74 -2.91 116.57 114.08 1x0p h LYS 8027Ca -0.05 0.00 -0.12 0.00 -2.00 0.00 0.00 60.65 58.48 1x0p h LYS 8027Cb 0.52 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.86 1x0p h LYS 8027CO 0.09 0.31 -0.38 0.77 -2.00 0.00 0.00 179.45 178.23 1x0p h SER 8028N 0.00 0.61 -0.34 7.07 0.02 -0.25 -2.45 113.55 118.20 1x0p h SER 8028Ca -0.00 -0.57 -0.05 0.00 -0.84 0.00 0.00 61.79 60.33 1x0p h SER 8028Cb 0.61 -0.18 -0.02 0.00 0.14 0.00 0.00 62.40 62.96 1x0p h SER 8028CO 0.04 1.07 0.07 -0.33 -1.14 0.00 0.00 176.83 176.54 1x0p h GLU 8029N 0.17 0.64 0.29 3.45 5.08 -0.99 0.74 114.58 123.96 1x0p h GLU 8029Ca -0.00 -0.13 -0.01 0.00 -1.00 0.00 0.00 59.36 58.22 1x0p h GLU 8029Cb 0.99 -0.10 0.00 0.00 0.50 0.00 0.00 28.75 30.14 1x0p h GLU 8029CO 0.08 0.61 -0.14 0.28 -1.00 0.00 0.00 179.01 178.85 1x0p h VAL 8030N 0.62 0.63 -0.51 3.13 2.07 -1.51 -2.64 116.25 118.05 1x0p h VAL 8030Ca 0.14 -0.77 -0.03 0.00 0.82 0.00 0.00 66.70 66.86 1x0p h VAL 8030Cb 0.28 0.98 -0.02 0.00 -1.52 0.00 0.00 31.29 31.01 1x0p h VAL 8030CO 0.00 0.13 0.22 0.78 0.02 0.00 0.00 177.57 178.72 1x0p h ASN 8031N -0.87 0.69 0.20 0.57 2.35 -1.39 -2.23 115.58 114.90 1x0p h ASN 8031Ca -0.04 -0.15 -0.04 0.00 -0.55 0.00 0.00 56.30 55.52 1x0p h ASN 8031Cb 0.52 -0.18 -0.01 0.00 0.05 0.00 0.00 38.32 38.70 1x0p h ASN 8031CO 0.07 0.65 -0.18 0.78 -1.65 0.00 0.00 177.43 177.10 1x0p h ASN 8032N 0.68 0.00 0.36 5.81 2.35 -0.95 0.72 115.58 124.55 1x0p h ASN 8032Ca 0.17 0.00 -0.18 0.00 -0.55 0.00 0.00 56.30 55.75 1x0p h ASN 8032Cb 0.17 0.00 -0.01 0.00 0.05 0.00 0.00 38.32 38.53 1x0p h ASN 8032CO -0.02 0.18 -0.73 0.25 -1.65 0.00 0.00 177.43 175.46 1x0p h LEU 8033N 0.00 0.38 -0.10 1.61 5.85 -1.09 0.82 115.31 122.78 1x0p h LEU 8033Ca -0.00 -0.25 -0.20 0.00 0.84 0.00 0.00 57.88 58.26 1x0p h LEU 8033Cb 0.33 -0.11 0.01 0.00 0.37 0.00 0.00 40.66 41.26 1x0p h LEU 8033CO 0.02 0.98 -0.74 -0.09 -0.34 0.00 0.00 178.44 178.28 1x0p h ARG 8034N 0.21 0.67 -0.13 1.25 2.43 -0.76 -3.25 114.38 114.81 1x0p h ARG 8034Ca -0.03 -0.59 0.00 0.00 -0.81 0.00 0.00 59.98 58.55 1x0p h ARG 8034Cb 1.29 0.14 0.00 0.00 -0.42 0.00 0.00 29.97 30.98 1x0p h ARG 8034CO 0.12 1.20 0.00 -0.25 -1.51 0.00 0.00 179.97 179.53 1x0p n ASP 8035N -4.03 1.35 -2.03 -3.80 8.00 0.17 -4.92 116.55 111.30 1x0p n ASP 8035Ca -0.09 -1.64 -0.15 0.00 0.71 0.00 0.00 54.79 53.62 1x0p n ASP 8035Cb 0.73 -0.08 0.02 0.00 -0.02 0.00 0.00 41.12 41.76 1x0p n ASP 8035CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1x0p n GLY 8036N 1.07 -0.18 3.71 0.44 0.00 -0.73 -4.69 105.19 104.81 1x0p n GLY 8036Ca 0.16 -0.18 -0.35 0.00 0.00 0.00 0.00 46.02 45.64 1x0p n GLY 8036CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1x0p s ILE 8037N -2.91 4.61 0.39 -0.61 1.01 0.28 -4.56 121.20 119.40 1x0p s ILE 8037Ca 0.15 -0.13 0.04 0.00 0.00 0.00 0.00 60.65 60.71 1x0p s ILE 8037Cb -0.07 -2.98 -0.03 0.00 0.01 0.00 0.00 42.46 39.39 1x0p s ILE 8037CO 0.19 0.58 0.11 0.42 0.00 0.00 0.00 174.94 176.24 1x0p s THR 8038N -0.67 0.73 -5.00 2.92 -4.23 -0.61 -4.31 115.64 104.47 1x0p s THR 8038Ca 0.11 -2.00 0.00 0.00 -1.18 0.00 0.00 61.69 58.62 1x0p s THR 8038Cb -0.12 -2.45 0.00 0.00 1.34 0.00 0.00 72.50 71.27 1x0p s THR 8038CO 0.02 0.00 0.00 0.61 -0.54 0.00 0.00 174.62 174.71 1x0p n GLY 8039N -0.85 0.57 3.46 3.99 0.00 -0.59 -0.32 105.19 111.45 1x0p n GLY 8039Ca -0.05 -1.57 -0.13 0.00 0.00 0.00 0.00 46.02 44.26 1x0p n GLY 8039CO 0.00 0.00 0.00 -3.16 0.00 0.00 0.00 173.32 170.16 1x0p s MET 8040N -2.00 1.16 -0.15 1.61 0.23 -0.95 -3.39 119.30 115.81 1x0p s MET 8040Ca 0.00 -0.22 0.02 0.00 -1.03 0.00 0.00 55.69 54.45 1x0p s MET 8040Cb 0.00 0.54 0.01 0.00 -1.53 0.00 0.00 34.83 33.85 1x0p s MET 8040CO 0.00 -0.47 -0.19 -1.17 -2.03 0.00 0.00 175.02 171.16 1x0p s LEU 8041N -2.22 2.01 -0.15 0.18 0.20 -0.23 -1.74 118.68 116.73 1x0p s LEU 8041Ca -0.02 -0.58 -0.06 0.00 0.69 0.00 0.00 54.13 54.16 1x0p s LEU 8041Cb -0.01 -1.37 -0.04 0.00 -0.43 0.00 0.00 46.19 44.35 1x0p s LEU 8041CO -0.05 0.03 0.05 0.00 -0.29 0.00 0.00 176.35 176.09 1x0p s TYR 8043N -0.06 1.57 -0.28 0.00 5.04 0.10 -1.36 117.35 122.35 1x0p s TYR 8043Ca 0.06 -0.50 -0.27 0.00 -2.44 0.00 0.00 57.07 53.91 1x0p s TYR 8043Cb -0.12 -1.09 0.19 0.00 0.35 0.00 0.00 41.96 41.28 1x0p s TYR 8043CO 0.01 -0.21 1.37 0.20 -1.34 0.00 0.00 175.55 175.58 1x0p s GLY 8044N 0.30 0.18 -1.17 8.97 0.00 -0.75 -0.97 107.32 113.87 1x0p s GLY 8044Ca -0.08 3.09 -0.02 0.00 0.00 0.00 0.00 44.72 47.71 1x0p s GLY 8044CO 0.03 1.49 0.11 -2.01 0.00 0.00 0.00 173.10 172.72 1x0p n ASN 8045N 1.04 -4.16 -0.13 1.64 2.85 -1.26 0.29 115.26 115.54 1x0p n ASN 8045Ca -0.05 0.06 -0.02 0.00 -0.11 0.00 0.00 54.58 54.46 1x0p n ASN 8045Cb 0.58 -3.50 -0.01 0.00 1.24 0.00 0.00 39.78 38.09 1x0p n ASN 8045CO 0.00 0.00 0.00 0.61 -2.11 0.00 0.00 177.26 175.76 1x0p n GLY 8046N -0.92 0.48 3.52 8.20 0.00 -1.26 -4.99 105.19 110.21 1x0p n GLY 8046Ca -0.13 -0.18 -0.30 0.00 0.00 0.00 0.00 46.02 45.41 1x0p n GLY 8046CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 1x0p s MET 8047N -1.12 2.04 -0.07 1.61 -1.94 0.15 -1.51 119.30 118.46 1x0p s MET 8047Ca 0.00 -1.04 0.02 0.00 -1.71 0.00 0.00 55.69 52.96 1x0p s MET 8047Cb 0.00 -2.23 -0.03 0.00 2.01 0.00 0.00 34.83 34.58 1x0p s MET 8047CO 0.00 0.51 -0.11 -0.06 -0.01 0.00 0.00 175.02 175.35 1x0p s PHE 8048N -1.10 2.80 -0.20 -0.03 2.99 0.15 -1.82 117.98 120.77 1x0p s PHE 8048Ca 0.18 -0.15 -0.05 0.00 0.00 0.00 0.00 56.93 56.92 1x0p s PHE 8048Cb -0.11 -1.69 0.07 0.00 0.00 0.00 0.00 43.02 41.30 1x0p s PHE 8048CO 0.10 0.19 0.12 -1.17 -0.00 0.00 0.00 175.22 174.46 1x0p s LEU 8049N -0.61 0.29 0.08 -0.37 2.96 -0.46 -1.52 118.68 119.05 1x0p s LEU 8049Ca 0.09 -0.68 0.08 0.00 -0.22 0.00 0.00 54.13 53.40 1x0p s LEU 8049Cb -0.11 -0.14 -0.03 0.00 0.50 0.00 0.00 46.19 46.41 1x0p s LEU 8049CO 0.01 -0.36 -0.21 -1.58 -1.32 0.00 0.00 176.35 172.89 1x0p s GLN 8050N 2.17 1.22 -0.03 1.98 0.74 -0.98 -0.21 119.66 124.55 1x0p s GLN 8050Ca 0.04 -1.09 0.04 0.00 0.05 0.00 0.00 55.36 54.41 1x0p s GLN 8050Cb -0.16 -1.43 -0.01 0.00 1.10 0.00 0.00 33.01 32.51 1x0p s GLN 8050CO -0.15 0.34 -0.15 -0.08 -0.55 0.00 0.00 175.29 174.70 1x0p s THR 8051N -1.04 1.26 -0.04 -0.34 -1.32 -0.71 -2.09 115.64 111.36 1x0p s THR 8051Ca 0.07 -0.65 0.03 0.00 -1.21 0.00 0.00 61.69 59.93 1x0p s THR 8051Cb -0.10 -1.07 0.00 0.00 -1.51 0.00 0.00 72.50 69.83 1x0p s THR 8051CO 0.03 0.36 -0.13 -0.76 -2.21 0.00 0.00 174.62 171.92 1x0p s LEU 8052N -0.11 1.79 0.03 9.08 1.43 0.01 -2.23 118.68 128.69 1x0p s LEU 8052Ca 0.00 -0.29 0.09 0.00 -1.03 0.00 0.00 54.13 52.90 1x0p s LEU 8052Cb -0.09 -0.80 -0.03 0.00 0.03 0.00 0.00 46.19 45.31 1x0p s LEU 8052CO 0.01 0.09 -0.25 -1.61 0.23 0.00 0.00 176.35 174.82 1x0p s GLU 8053N 0.27 1.90 0.00 1.70 2.02 0.56 0.05 118.70 125.21 1x0p s GLU 8053Ca -0.07 -1.06 0.00 0.00 0.02 0.00 0.00 54.97 53.87 1x0p s GLU 8053Cb -0.12 -2.03 0.00 0.00 0.10 0.00 0.00 34.13 32.08 1x0p s GLU 8053CO 0.02 0.53 0.00 0.41 0.02 0.00 0.00 175.26 176.24 1x0p n GLY 8054N 1.83 -0.06 3.76 -1.39 0.00 -0.37 -1.57 105.19 107.39 1x0p n GLY 8054Ca -0.17 -1.34 -0.39 0.00 0.00 0.00 0.00 46.02 44.13 1x0p n GLY 8054CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1x0p s ASP 8055N -4.00 5.68 0.11 1.61 -1.08 -1.26 -0.60 116.67 117.13 1x0p s ASP 8055Ca 0.00 2.71 -0.23 0.00 -0.52 0.00 0.00 52.55 54.51 1x0p s ASP 8055Cb 0.00 -2.63 -0.07 0.00 -1.46 0.00 0.00 42.92 38.75 1x0p s ASP 8055CO 0.00 -1.29 1.70 -0.09 0.52 0.00 0.00 175.17 176.01 1x0p h ARG 8056N 1.89 -0.13 -0.03 4.34 2.43 -1.90 0.38 114.38 121.36 1x0p h ARG 8056Ca -0.50 0.01 -0.00 0.00 -0.81 0.00 0.00 59.98 58.67 1x0p h ARG 8056Cb 1.28 0.03 -0.00 0.00 -0.42 0.00 0.00 29.97 30.86 1x0p h ARG 8056CO 0.59 -0.09 0.00 0.37 -1.51 0.00 0.00 179.97 179.34 1x0p h GLN 8057N -0.13 0.05 -0.35 0.20 4.15 -1.92 -1.99 115.11 115.11 1x0p h GLN 8057Ca 0.05 -0.01 0.04 0.00 0.77 0.00 0.00 58.65 59.50 1x0p h GLN 8057Cb 0.21 -0.01 -0.04 0.00 0.21 0.00 0.00 27.48 27.85 1x0p h GLN 8057CO -0.13 0.29 0.13 0.87 -1.93 0.00 0.00 178.83 178.06 1x0p h LYS 8058N -0.21 0.28 -0.75 1.69 1.79 -1.91 0.18 116.57 117.64 1x0p h LYS 8058Ca 0.01 -0.02 -0.04 0.00 -2.18 0.00 0.00 60.65 58.42 1x0p h LYS 8058Cb 0.27 -0.06 -0.03 0.00 -1.58 0.00 0.00 32.23 30.82 1x0p h LYS 8058CO 0.00 0.18 0.29 0.28 -1.08 0.00 0.00 179.45 179.13 1x0p h VAL 8059N 0.28 1.25 -0.52 0.50 2.07 -0.95 0.65 116.25 119.53 1x0p h VAL 8059Ca 0.16 -0.80 -0.08 0.00 0.82 0.00 0.00 66.70 66.80 1x0p h VAL 8059Cb 0.12 0.36 -0.02 0.00 -1.52 0.00 0.00 31.29 30.24 1x0p h VAL 8059CO -0.16 0.32 0.01 0.28 0.02 0.00 0.00 177.57 178.05 1x0p h SER 8060N 1.09 0.90 -0.44 0.57 0.02 -0.70 -1.28 113.55 113.72 1x0p h SER 8060Ca 0.25 -0.30 -0.14 0.00 -0.84 0.00 0.00 61.79 60.75 1x0p h SER 8060Cb 0.21 -0.24 -0.01 0.00 0.14 0.00 0.00 62.40 62.50 1x0p h SER 8060CO -0.02 0.98 -0.28 -0.33 -1.14 0.00 0.00 176.83 176.05 1x0p h GLU 8061N 0.79 0.97 -0.82 3.45 5.08 -0.30 -1.32 114.58 122.43 1x0p h GLU 8061Ca 0.15 -0.45 -0.03 0.00 -1.00 0.00 0.00 59.36 58.03 1x0p h GLU 8061Cb 0.52 -0.02 -0.04 0.00 0.50 0.00 0.00 28.75 29.72 1x0p h GLU 8061CO 0.03 1.12 0.39 1.15 -1.00 0.00 0.00 179.01 180.69 1x0p h THR 8062N 0.82 1.25 -0.45 1.13 2.02 -0.70 -1.31 112.91 115.67 1x0p h THR 8062Ca 0.09 -0.72 -0.10 0.00 0.77 0.00 0.00 66.41 66.45 1x0p h THR 8062Cb 0.86 0.21 -0.02 0.00 -1.74 0.00 0.00 68.15 67.47 1x0p h THR 8062CO 0.08 0.31 -0.14 0.22 0.37 0.00 0.00 175.52 176.35 1x0p h TYR 8063N 1.17 0.93 -0.09 3.16 5.03 -0.99 -0.32 116.97 125.85 1x0p h TYR 8063Ca 0.28 -0.19 -0.06 0.00 2.58 0.00 0.00 58.73 61.34 1x0p h TYR 8063Cb 0.12 -0.23 -0.01 0.00 1.55 0.00 0.00 36.73 38.16 1x0p h TYR 8063CO 0.01 0.92 -0.23 0.00 -1.32 0.00 0.00 178.16 177.54 1x0p h ALA 8064N 1.09 1.44 -0.01 1.82 0.00 -0.70 -1.83 119.26 121.08 1x0p h ALA 8064Ca 0.12 -0.26 -0.23 0.00 0.00 0.00 0.00 54.91 54.53 1x0p h ALA 8064Cb 0.65 -0.07 0.01 0.00 0.00 0.00 0.00 17.79 18.37 1x0p h ALA 8064CO 0.05 0.40 -0.95 -0.09 0.00 0.00 0.00 179.25 178.65 1x0p h ARG 8065N 0.15 0.48 -0.65 0.00 2.43 -0.76 -3.21 114.38 112.82 1x0p h ARG 8065Ca 0.03 -0.51 -0.05 0.00 -0.81 0.00 0.00 59.98 58.63 1x0p h ARG 8065Cb 0.50 0.14 -0.03 0.00 -0.42 0.00 0.00 29.97 30.16 1x0p h ARG 8065CO 0.03 1.15 0.19 0.82 -1.51 0.00 0.00 179.97 180.66 1x0p h ILE 8066N 0.28 1.24 -0.01 1.20 2.04 -0.55 -2.39 117.51 119.32 1x0p h ILE 8066Ca -0.09 -0.85 0.00 0.00 1.00 0.00 0.00 64.86 64.93 1x0p h ILE 8066Cb 1.59 0.54 -0.00 0.00 -0.74 0.00 0.00 36.82 38.21 1x0p h ILE 8066CO 0.17 0.33 0.02 -0.07 0.00 0.00 0.00 178.15 178.60 1x0p h LEU 8067N 0.95 0.00 0.00 1.44 3.38 -1.35 -0.72 115.31 119.01 1x0p h LEU 8067Ca 0.21 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.18 1x0p h LEU 8067Cb 0.29 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.04 1x0p h LEU 8067CO -0.01 0.00 -0.40 0.29 0.09 0.00 0.00 178.44 178.41 1x0p n LYS 8068N -3.42 0.23 -2.06 1.13 5.02 -0.90 -4.84 118.16 113.32 1x0p n LYS 8068Ca -0.03 0.10 -0.42 0.00 -2.02 0.00 0.00 58.31 55.94 1x0p n LYS 8068Cb 0.10 -1.68 -0.03 0.00 -0.02 0.00 0.00 35.03 33.41 1x0p n LYS 8068CO 0.00 0.00 0.00 0.34 -0.52 0.00 0.00 177.40 177.22 1x0p s ASP 8069N -4.06 6.65 0.00 4.39 -1.08 -0.28 -4.88 116.67 117.41 1x0p s ASP 8069Ca 0.09 2.10 0.18 0.00 -0.52 0.00 0.00 52.55 54.39 1x0p s ASP 8069Cb 0.14 -2.53 0.90 0.00 -1.46 0.00 0.00 42.92 39.97 1x0p s ASP 8069CO 0.67 -0.96 1.52 -0.81 0.52 0.00 0.00 175.17 176.11 1x0p n PRO 8070N 7.16 0.28 0.05 4.34 -0.04 -1.26 -3.23 135.00 142.30 1x0p n PRO 8070Ca 0.17 0.11 0.10 0.00 -0.04 0.00 0.00 63.50 63.84 1x0p n PRO 8070Cb 0.43 -1.50 0.41 0.00 -0.04 0.00 0.00 33.50 32.80 1x0p n PRO 8070CO 0.00 0.00 0.00 0.54 -0.04 0.00 0.00 175.50 176.00 1x0p n ARG 8071N -1.26 0.08 -4.08 0.54 1.74 -1.26 -4.74 116.66 107.68 1x0p n ARG 8071Ca 0.09 0.28 -0.13 0.00 -0.77 0.00 0.00 57.85 57.32 1x0p n ARG 8071Cb 0.13 -1.64 -0.05 0.00 -1.02 0.00 0.00 32.46 29.88 1x0p n ARG 8071CO 0.00 0.00 0.00 -3.38 -1.52 0.00 0.00 177.63 172.73 1x0p s HIS 8072N -3.11 0.91 0.24 -1.55 -3.43 -1.20 -0.62 115.29 106.54 1x0p s HIS 8072Ca 0.07 -1.17 -0.21 0.00 -0.80 0.00 0.00 55.06 52.96 1x0p s HIS 8072Cb 0.11 -0.08 0.06 0.00 -1.43 0.00 0.00 32.58 31.24 1x0p s HIS 8072CO 0.36 -1.04 0.92 -3.38 -2.00 0.00 0.00 174.74 169.60 1x0p s HIS 8073N -3.43 0.02 -1.32 0.38 -3.43 -0.12 -4.82 115.29 102.57 1x0p s HIS 8073Ca 0.30 -0.49 -0.03 0.00 -0.80 0.00 0.00 55.06 54.04 1x0p s HIS 8073Cb 0.00 0.73 0.01 0.00 -1.43 0.00 0.00 32.58 31.90 1x0p s HIS 8073CO 0.17 -1.12 0.86 0.43 -2.00 0.00 0.00 174.74 173.07 1x0p n SER 8074N -1.06 -2.41 -4.78 7.38 7.64 -1.26 -0.80 113.62 118.33 1x0p n SER 8074Ca -0.05 -0.74 -0.35 0.00 1.01 0.00 0.00 58.87 58.74 1x0p n SER 8074Cb 0.60 -4.36 -0.00 0.00 -1.01 0.00 0.00 64.21 59.43 1x0p n SER 8074CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1x0p s ALA 8075N -3.51 2.73 -0.06 -0.43 0.00 -1.26 -4.29 121.76 114.94 1x0p s ALA 8075Ca 0.16 0.75 -0.02 0.00 0.00 0.00 0.00 51.96 52.85 1x0p s ALA 8075Cb -0.08 -3.33 0.04 0.00 0.00 0.00 0.00 23.12 19.75 1x0p s ALA 8075CO 0.79 -0.68 0.12 -1.21 0.00 0.00 0.00 175.76 174.78 1x0p s GLU 8076N -3.32 0.05 0.15 0.00 2.02 0.64 -4.97 118.70 113.27 1x0p s GLU 8076Ca 0.71 0.37 -0.30 0.00 0.02 0.00 0.00 54.97 55.77 1x0p s GLU 8076Cb -0.22 -0.22 -0.07 0.00 0.10 0.00 0.00 34.13 33.72 1x0p s GLU 8076CO 0.26 -0.19 1.10 0.42 0.02 0.00 0.00 175.26 176.86 1x0p s ILE 8077N 1.36 3.99 -0.26 -1.63 1.01 -1.26 -0.34 121.20 124.07 1x0p s ILE 8077Ca -0.07 1.65 -0.02 0.00 0.00 0.00 0.00 60.65 62.21 1x0p s ILE 8077Cb -0.12 -4.05 -0.16 0.00 0.01 0.00 0.00 42.46 38.13 1x0p s ILE 8077CO -0.05 0.25 -0.22 0.52 0.00 0.00 0.00 174.94 175.43 1x0p n VAL 8078N 2.72 1.51 -3.52 2.92 0.31 0.17 -4.91 118.33 117.53 1x0p n VAL 8078Ca 0.04 -0.53 -0.09 0.00 -0.01 0.00 0.00 64.34 63.74 1x0p n VAL 8078Cb 0.47 -1.53 -0.03 0.00 -0.91 0.00 0.00 33.84 31.84 1x0p n VAL 8078CO 0.00 0.00 0.00 -1.83 -1.32 0.00 0.00 176.83 173.68 1x0p s GLU 8079N -2.52 0.78 -0.25 5.55 -1.05 -0.73 -4.67 118.70 115.81 1x0p s GLU 8079Ca -0.35 -0.18 -0.05 0.00 -0.15 0.00 0.00 54.97 54.24 1x0p s GLU 8079Cb 0.10 0.36 0.13 0.00 -0.44 0.00 0.00 34.13 34.28 1x0p s GLU 8079CO 0.59 -0.32 0.48 0.12 0.95 0.00 0.00 175.26 177.08 1x0p s PHE 8080N -2.61 -1.06 0.19 4.83 5.36 -1.26 -1.19 117.98 122.25 1x0p s PHE 8080Ca 0.03 1.53 -0.17 0.00 -0.96 0.00 0.00 56.93 57.36 1x0p s PHE 8080Cb -0.01 0.37 0.03 0.00 -0.34 0.00 0.00 43.02 43.07 1x0p s PHE 8080CO -0.06 -0.65 0.50 -1.59 -1.46 0.00 0.00 175.22 171.96 1x0p s LYS 8081N 2.69 1.35 0.31 10.12 -2.85 -0.94 -4.99 119.74 125.43 1x0p s LYS 8081Ca 0.06 -0.88 -0.27 0.00 -1.00 0.00 0.00 55.97 53.87 1x0p s LYS 8081Cb -0.13 0.51 -0.09 0.00 -2.06 0.00 0.00 37.83 36.05 1x0p s LYS 8081CO -0.16 -0.57 0.99 0.00 0.10 0.00 0.00 175.35 175.71 1x0p s ALA 8082N -3.88 3.26 0.10 0.59 0.00 -1.26 -0.36 121.76 120.20 1x0p s ALA 8082Ca 0.09 0.65 0.08 0.00 0.00 0.00 0.00 51.96 52.78 1x0p s ALA 8082Cb -0.01 -3.23 -0.03 0.00 0.00 0.00 0.00 23.12 19.85 1x0p s ALA 8082CO -0.03 0.05 -0.19 0.96 0.00 0.00 0.00 175.76 176.54 1x0p s ILE 8083N -1.43 1.58 0.12 0.00 -4.36 -0.16 -4.84 121.20 112.12 1x0p s ILE 8083Ca 0.48 -1.50 0.04 0.00 -0.26 0.00 0.00 60.65 59.41 1x0p s ILE 8083Cb -0.24 -1.46 -0.21 0.00 1.25 0.00 0.00 42.46 41.80 1x0p s ILE 8083CO 0.30 -0.10 1.27 -0.33 0.24 0.00 0.00 174.94 176.31 1x0p h GLU 8084N 4.10 0.09 -3.55 0.37 5.08 -1.97 -3.42 114.58 115.27 1x0p h GLU 8084Ca -0.45 -0.14 -0.06 0.00 -1.00 0.00 0.00 59.36 57.71 1x0p h GLU 8084Cb 1.18 0.05 -0.13 0.00 0.50 0.00 0.00 28.75 30.35 1x0p h GLU 8084CO 0.40 1.03 -0.17 -1.83 -1.00 0.00 0.00 179.01 177.45 1x0p s GLU 8085N -2.79 1.05 0.45 2.33 -1.05 -1.26 -5.06 118.70 112.37 1x0p s GLU 8085Ca -0.01 -0.84 -0.14 0.00 -0.15 0.00 0.00 54.97 53.83 1x0p s GLU 8085Cb 0.09 0.43 -0.07 0.00 -0.44 0.00 0.00 34.13 34.14 1x0p s GLU 8085CO 0.83 -0.40 0.88 1.03 0.95 0.00 0.00 175.26 178.56 1x0p s ARG 8086N -3.84 3.89 -0.16 -4.83 0.52 -1.26 -4.99 118.95 108.27 1x0p s ARG 8086Ca 0.06 0.74 -0.00 0.00 -0.52 0.00 0.00 55.73 56.00 1x0p s ARG 8086Cb 0.03 -2.26 -0.10 0.00 0.52 0.00 0.00 34.95 33.13 1x0p s ARG 8086CO -0.09 -0.13 -0.16 2.41 0.02 0.00 0.00 175.30 177.35 1x0p n THR 8087N -1.34 0.94 -2.52 0.02 -1.04 -1.26 -4.63 114.28 104.45 1x0p n THR 8087Ca 0.05 -0.34 -0.41 0.00 -2.04 0.00 0.00 64.05 61.30 1x0p n THR 8087Cb 0.54 -1.18 0.01 0.00 -1.82 0.00 0.00 70.33 67.88 1x0p n THR 8087CO 0.00 0.00 0.00 0.49 -0.64 0.00 0.00 175.07 174.92 1x0p n PHE 8088N -3.10 2.62 0.12 -1.42 3.01 -1.26 -4.77 117.46 112.67 1x0p n PHE 8088Ca -0.30 -2.65 -0.05 0.00 1.01 0.00 0.00 57.45 55.46 1x0p n PHE 8088Cb 0.80 -1.45 -0.02 0.00 -0.01 0.00 0.00 39.48 38.79 1x0p n PHE 8088CO 0.00 0.00 0.00 0.82 1.01 0.00 0.00 176.76 178.59 1x0p h ILE 8089N 2.73 0.00 0.00 4.37 2.04 -1.95 -3.27 117.51 121.44 1x0p h ILE 8089Ca 0.49 -0.13 0.00 0.00 1.00 0.00 0.00 64.86 66.23 1x0p h ILE 8089Cb 0.41 0.00 0.00 0.00 -0.74 0.00 0.00 36.82 36.49 1x0p h ILE 8089CO 1.34 0.00 0.03 0.59 0.00 0.00 0.00 178.15 180.11 1x0p n ASN 8090N -3.21 0.00 -4.01 1.72 3.02 -1.26 -4.53 115.26 106.99 1x0p n ASN 8090Ca -0.04 0.17 -0.29 0.00 -0.03 0.00 0.00 54.58 54.39 1x0p n ASN 8090Cb 0.12 -0.17 -0.17 0.00 -0.61 0.00 0.00 39.78 38.96 1x0p n ASN 8090CO 0.00 0.00 0.00 0.26 -2.62 0.00 0.00 177.26 174.90 1x0p s TRP 8091N -2.26 1.95 0.13 3.10 0.52 -1.24 -4.98 118.94 116.16 1x0p s TRP 8091Ca 0.00 -1.00 -0.09 0.00 0.02 0.00 0.00 56.10 55.03 1x0p s TRP 8091Cb 0.00 -1.45 -0.09 0.00 -1.15 0.00 0.00 33.47 30.79 1x0p s TRP 8091CO 0.00 -0.55 1.35 0.66 0.02 0.00 0.00 176.95 178.43 1x0p h SER 8092N 7.78 0.82 -0.12 2.95 4.64 -1.79 -1.56 113.55 126.28 1x0p h SER 8092Ca -0.34 -0.53 -0.03 0.00 -0.47 0.00 0.00 61.79 60.42 1x0p h SER 8092Cb 1.15 -0.24 -0.14 0.00 -0.31 0.00 0.00 62.40 62.86 1x0p h SER 8092CO 0.49 1.31 -0.11 0.80 -0.87 0.00 0.00 176.83 178.45 1x0p n MET 8093N -3.91 0.15 -2.71 4.77 1.56 -1.25 -3.26 117.12 112.46 1x0p n MET 8093Ca -0.06 -0.81 -0.36 0.00 -0.27 0.00 0.00 57.70 56.19 1x0p n MET 8093Cb 0.73 -0.12 -0.06 0.00 2.15 0.00 0.00 33.22 35.92 1x0p n MET 8093CO 0.00 0.00 0.00 -0.98 -0.73 0.00 0.00 175.97 174.26 1x0p s ARG 8094N 0.60 4.44 0.04 2.12 1.70 -1.22 -4.82 118.95 121.81 1x0p s ARG 8094Ca 0.25 1.37 -0.01 0.00 -0.47 0.00 0.00 55.73 56.87 1x0p s ARG 8094Cb 0.16 -2.67 -0.04 0.00 -0.57 0.00 0.00 34.95 31.83 1x0p s ARG 8094CO -0.10 0.13 0.20 -1.17 -1.08 0.00 0.00 175.30 173.28 1x0p s LEU 8095N -2.31 4.36 -0.19 -1.89 2.96 -1.26 -1.06 118.68 119.27 1x0p s LEU 8095Ca 0.53 0.29 -0.04 0.00 -0.22 0.00 0.00 54.13 54.69 1x0p s LEU 8095Cb -0.19 -2.85 0.10 0.00 0.50 0.00 0.00 46.19 43.75 1x0p s LEU 8095CO 0.24 0.20 0.30 -0.69 -1.32 0.00 0.00 176.35 175.08 1x0p s VAL 8096N -1.45 -0.47 -0.27 1.68 1.01 -0.29 -4.93 120.40 115.67 1x0p s VAL 8096Ca 0.33 0.05 -0.09 0.00 0.00 0.00 0.00 61.98 62.26 1x0p s VAL 8096Cb -0.13 -0.65 -0.03 0.00 0.00 0.00 0.00 36.38 35.57 1x0p s VAL 8096CO 0.25 -0.05 0.12 -1.10 0.00 0.00 0.00 175.10 174.32 1x0p s GLN 8097N 2.45 3.62 0.48 2.72 1.11 -1.26 0.00 119.66 128.79 1x0p s GLN 8097Ca 0.06 -0.51 0.21 0.00 0.01 0.00 0.00 55.36 55.13 1x0p s GLN 8097Cb -0.14 -3.46 1.24 0.00 -1.01 0.00 0.00 33.01 29.63 1x0p s GLN 8097CO -0.12 -0.25 1.94 -0.07 0.01 0.00 0.00 175.29 176.80 1x0p h LEU 8098N 8.30 0.19 -3.45 2.90 3.38 -1.46 -0.97 115.31 124.20 1x0p h LEU 8098Ca -0.36 0.01 -0.09 0.00 0.09 0.00 0.00 57.88 57.53 1x0p h LEU 8098Cb 1.17 -0.03 -0.03 0.00 0.09 0.00 0.00 40.66 41.86 1x0p h LEU 8098CO 0.58 0.10 -0.15 0.61 0.09 0.00 0.00 178.44 179.67 1x0p n GLY 8099N -1.59 2.77 0.65 0.83 0.00 -1.26 -4.08 105.19 102.51 1x0p n GLY 8099Ca 0.13 -0.56 0.00 0.00 0.00 0.00 0.00 46.02 45.60 1x0p n GLY 8099CO 0.00 0.00 0.00 -1.84 0.00 0.00 0.00 173.32 171.48 1x0p n GLU 8100N 1.89 0.00 0.00 1.61 0.00 -0.37 -5.12 120.64 118.65 1x0p n GLU 8100Ca 0.19 0.00 0.00 0.00 0.00 0.00 0.00 57.16 57.35 1x0p n GLU 8100Cb 0.68 0.00 0.00 0.00 0.00 0.00 0.00 31.44 32.12 1x0p n GLU 8100CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.13 177.13 1x0p n MET 8101N -1.63 -1.40 -1.65 3.44 -0.00 -1.26 -4.80 117.12 109.82 1x0p n MET 8101Ca 0.00 0.00 -0.51 0.00 -0.00 0.00 0.00 57.70 57.19 1x0p n MET 8101Cb 0.00 0.00 -0.06 0.00 -0.00 0.00 0.00 33.22 33.16 1x0p n MET 8101CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 175.97 175.57 1x0p n ASP 8102N -2.72 2.93 0.00 3.17 3.85 -1.26 -4.75 116.55 117.76 1x0p n ASP 8102Ca 0.00 0.89 0.04 0.00 -0.71 0.00 0.00 54.79 55.01 1x0p n ASP 8102Cb 0.00 -1.29 0.24 0.00 -1.35 0.00 0.00 41.12 38.72 1x0p n ASP 8102CO 0.00 0.00 0.00 -1.20 -1.01 0.00 0.00 177.20 174.99 1x0p n SER 8103N 6.96 0.00 -0.07 -1.12 7.64 -1.26 -0.84 113.62 124.93 1x0p n SER 8103Ca 0.27 -0.33 -0.07 0.00 1.01 0.00 0.00 58.87 59.75 1x0p n SER 8103Cb 0.24 0.00 -0.11 0.00 -1.01 0.00 0.00 64.21 63.33 1x0p n SER 8103CO 0.00 0.00 0.00 -0.67 -3.01 0.00 0.00 175.04 171.36 1x0p n ASP 8104N -0.93 1.70 0.15 6.43 -0.08 -1.26 -3.83 116.55 118.73 1x0p n ASP 8104Ca 0.06 -0.01 -0.07 0.00 -1.51 0.00 0.00 54.79 53.26 1x0p n ASP 8104Cb 0.03 0.72 -0.03 0.00 2.34 0.00 0.00 41.12 44.18 1x0p n ASP 8104CO 0.00 0.00 0.00 0.74 0.12 0.00 0.00 177.20 178.06 1x0p h THR 8105N 0.00 0.00 -0.68 5.18 2.02 -1.35 -2.21 112.91 115.87 1x0p h THR 8105Ca -0.38 -0.49 0.16 0.00 0.77 0.00 0.00 66.41 66.48 1x0p h THR 8105Cb 1.83 0.00 -0.04 0.00 -1.74 0.00 0.00 68.15 68.20 1x0p h THR 8105CO 0.01 0.00 0.47 0.40 0.37 0.00 0.00 175.52 176.77 1x0p h ILE 8106N -0.93 0.75 -0.44 3.11 5.03 -1.63 0.13 117.51 123.53 1x0p h ILE 8106Ca -0.05 -0.07 -0.03 0.00 -0.12 0.00 0.00 64.86 64.60 1x0p h ILE 8106Cb 0.34 0.52 -0.02 0.00 -3.03 0.00 0.00 36.82 34.63 1x0p h ILE 8106CO 0.07 0.04 0.16 -0.09 -0.68 0.00 0.00 178.15 177.66 1x0p h ARG 8107N 0.21 0.66 -0.26 2.37 1.12 -1.65 0.27 114.38 117.10 1x0p h ARG 8107Ca 0.33 -0.13 -0.09 0.00 -1.11 0.00 0.00 59.98 58.98 1x0p h ARG 8107Cb 1.00 -0.10 -0.01 0.00 -0.01 0.00 0.00 29.97 30.85 1x0p h ARG 8107CO -0.06 0.62 -0.19 0.00 -3.11 0.00 0.00 179.97 177.23 1x0p h ARG 8108N 0.56 0.58 -0.25 0.20 3.08 -0.16 -2.33 114.38 116.07 1x0p h ARG 8108Ca 0.14 -0.28 0.00 0.00 0.07 0.00 0.00 59.98 59.91 1x0p h ARG 8108Cb 0.21 -0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.24 1x0p h ARG 8108CO -0.01 0.86 0.16 1.25 -1.07 0.00 0.00 179.97 181.16 1x0p h LEU 8109N 0.30 0.29 -0.06 3.04 6.46 -0.96 -0.36 115.31 124.03 1x0p h LEU 8109Ca 0.05 -0.03 0.04 0.00 -0.12 0.00 0.00 57.88 57.81 1x0p h LEU 8109Cb 0.72 -0.07 -0.04 0.00 -0.73 0.00 0.00 40.66 40.53 1x0p h LEU 8109CO 0.05 0.24 -0.20 -0.09 -0.62 0.00 0.00 178.44 177.82 1x0p h ARG 8110N 0.32 -0.28 -0.83 1.25 2.43 -0.43 -2.40 114.38 114.44 1x0p h ARG 8110Ca 0.09 0.02 0.00 0.00 -0.81 0.00 0.00 59.98 59.28 1x0p h ARG 8110Cb -0.01 0.06 -0.04 0.00 -0.42 0.00 0.00 29.97 29.56 1x0p h ARG 8110CO -0.02 -0.18 0.52 -0.07 -1.51 0.00 0.00 179.97 178.71 1x0p h LEU 8111N -0.29 0.98 -0.72 3.80 3.38 -1.24 -2.13 115.31 119.09 1x0p h LEU 8111Ca 0.08 -0.05 0.14 0.00 0.09 0.00 0.00 57.88 58.14 1x0p h LEU 8111Cb 0.39 -0.25 -0.10 0.00 0.09 0.00 0.00 40.66 40.80 1x0p h LEU 8111CO -0.22 0.74 0.23 0.50 0.09 0.00 0.00 178.44 179.77 1x0p h LYS 8112N 1.14 0.33 -0.47 1.13 3.64 -0.55 -2.48 116.57 119.31 1x0p h LYS 8112Ca 0.30 -0.02 -0.26 0.00 -1.27 0.00 0.00 60.65 59.40 1x0p h LYS 8112Cb -0.08 -0.08 -0.16 0.00 -0.41 0.00 0.00 32.23 31.51 1x0p h LYS 8112CO -0.06 0.22 -0.02 0.66 -2.27 0.00 0.00 179.45 177.98 1x0p n TYR 8113N -5.08 1.49 -3.56 1.91 4.02 -1.07 -5.01 117.16 109.86 1x0p n TYR 8113Ca 0.13 -1.75 -0.14 0.00 -0.01 0.00 0.00 57.90 56.13 1x0p n TYR 8113Cb 0.42 -0.58 -0.06 0.00 -0.02 0.00 0.00 39.34 39.11 1x0p n TYR 8113CO 0.00 0.00 0.00 0.45 -1.01 0.00 0.00 176.86 176.30 1x0p s SER 8114N -2.47 -0.51 0.00 7.72 0.15 -0.82 -4.79 113.70 112.98 1x0p s SER 8114Ca 0.47 0.63 0.25 0.00 0.70 0.00 0.00 55.95 58.00 1x0p s SER 8114Cb 0.42 0.52 0.44 0.00 -1.71 0.00 0.00 66.02 65.69 1x0p s SER 8114CO 0.01 -0.43 1.37 -0.81 1.20 0.00 0.00 173.24 174.58 1x0p n PRO 8115N 1.04 0.10 -2.71 5.44 -0.04 -1.26 -4.52 135.00 133.04 1x0p n PRO 8115Ca -0.14 -0.06 -0.35 0.00 -0.04 0.00 0.00 63.50 62.91 1x0p n PRO 8115Cb 0.57 -1.50 -0.06 0.00 -0.04 0.00 0.00 33.50 32.48 1x0p n PRO 8115CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1x0p s ALA 8116N -2.94 3.07 -0.85 0.55 0.00 -1.26 -4.95 121.76 115.37 1x0p s ALA 8116Ca 0.12 0.52 0.27 0.00 0.00 0.00 0.00 51.96 52.88 1x0p s ALA 8116Cb 0.18 -3.20 0.99 0.00 0.00 0.00 0.00 23.12 21.08 1x0p s ALA 8116CO 0.70 0.01 1.83 0.00 0.00 0.00 0.00 175.76 178.30 1x0p n ALA 8117N -0.27 2.33 -2.32 0.00 0.00 -1.26 -4.76 120.51 114.24 1x0p n ALA 8117Ca 0.06 -0.07 -0.16 0.00 0.00 0.00 0.00 53.44 53.27 1x0p n ALA 8117Cb 0.52 -1.46 -0.10 0.00 0.00 0.00 0.00 19.45 18.41 1x0p n ALA 8117CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 177.50 178.45 1x0p s THR 8118N -3.06 0.55 -0.14 0.00 -4.23 -1.26 -5.07 115.64 102.43 1x0p s THR 8118Ca 0.12 -2.00 -0.29 0.00 -1.18 0.00 0.00 61.69 58.34 1x0p s THR 8118Cb 0.15 -2.64 -0.05 0.00 1.34 0.00 0.00 72.50 71.31 1x0p s THR 8118CO 0.57 0.00 1.81 0.12 -0.54 0.00 0.00 174.62 176.58 1x0p s PHE 8119N -3.76 1.73 -0.41 3.99 5.36 -1.26 -4.90 117.98 118.73 1x0p s PHE 8119Ca 0.38 0.27 0.04 0.00 -0.96 0.00 0.00 56.93 56.66 1x0p s PHE 8119Cb 0.08 -4.02 0.16 0.00 -0.34 0.00 0.00 43.02 38.90 1x0p s PHE 8119CO 0.14 -3.86 0.41 -0.65 -1.46 0.00 0.00 175.22 169.80 1x0p s GLN 8120N 4.85 0.78 0.63 10.12 -1.52 -1.26 -4.80 119.66 128.45 1x0p s GLN 8120Ca 0.81 -1.27 0.36 0.00 -1.95 0.00 0.00 55.36 53.30 1x0p s GLN 8120Cb -0.31 -0.84 2.04 0.00 -0.22 0.00 0.00 33.01 33.68 1x0p s GLN 8120CO 0.33 -1.27 2.26 -1.00 -0.25 0.00 0.00 175.29 175.36 1x0p h PRO 8121N 6.33 0.00 0.00 2.91 0.13 -1.93 -1.33 132.00 138.10 1x0p h PRO 8121Ca 0.11 0.00 -0.01 0.00 -0.87 0.00 0.00 66.00 65.23 1x0p h PRO 8121Cb 1.02 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.15 1x0p h PRO 8121CO 0.22 0.00 -0.06 0.00 -0.23 0.00 0.00 178.00 177.93 1x0p h ARG 8122N 0.00 0.00 -0.18 0.86 3.08 -1.97 -1.13 114.38 115.04 1x0p h ARG 8122Ca 0.01 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.06 1x0p h ARG 8122Cb 0.12 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.17 1x0p h ARG 8122CO -0.00 0.06 0.00 -1.13 -1.07 0.00 0.00 179.97 177.83 1x0p n SER 8123N -3.31 2.37 -4.87 7.04 3.41 -0.50 -4.92 113.62 112.84 1x0p n SER 8123Ca -0.01 -1.80 -0.28 0.00 -0.26 0.00 0.00 58.87 56.51 1x0p n SER 8123Cb 0.23 -0.11 -0.05 0.00 -0.26 0.00 0.00 64.21 64.02 1x0p n SER 8123CO 0.00 0.00 0.00 -0.04 -0.16 0.00 0.00 175.04 174.84 1x0p s MET 8124N -1.78 3.21 0.79 4.33 -1.94 -0.43 -4.67 119.30 118.80 1x0p s MET 8124Ca 0.34 -0.64 -0.05 0.00 -1.71 0.00 0.00 55.69 53.63 1x0p s MET 8124Cb 0.20 -2.86 0.15 0.00 2.01 0.00 0.00 34.83 34.32 1x0p s MET 8124CO 0.30 0.54 1.09 0.95 -0.01 0.00 0.00 175.02 177.89 1x0p s THR 8125N -1.61 2.10 0.12 2.05 -4.23 -1.26 -4.88 115.64 107.92 1x0p s THR 8125Ca 0.33 -0.41 -0.15 0.00 -1.18 0.00 0.00 61.69 60.27 1x0p s THR 8125Cb -0.12 -2.69 -0.02 0.00 1.34 0.00 0.00 72.50 71.01 1x0p s THR 8125CO 0.26 0.00 1.59 0.00 -0.54 0.00 0.00 174.62 175.92 1x0p h ALA 8126N -0.86 0.51 -0.14 3.99 0.00 -1.97 -1.26 119.26 119.54 1x0p h ALA 8126Ca -0.39 -0.23 -0.10 0.00 0.00 0.00 0.00 54.91 54.19 1x0p h ALA 8126Cb 1.26 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 18.89 1x0p h ALA 8126CO 0.40 0.25 -0.35 1.49 0.00 0.00 0.00 179.25 181.05 1x0p h GLU 8127N 0.49 0.28 -0.22 0.00 4.57 -1.95 -1.36 114.58 116.38 1x0p h GLU 8127Ca 0.11 -0.12 -0.05 0.00 -1.18 0.00 0.00 59.36 58.12 1x0p h GLU 8127Cb 0.41 -0.01 -0.01 0.00 -0.16 0.00 0.00 28.75 28.98 1x0p h GLU 8127CO 0.01 0.60 -0.07 1.96 -1.18 0.00 0.00 179.01 180.33 1x0p h GLN 8128N 0.24 0.44 -0.50 1.92 4.20 -1.85 -0.87 115.11 118.69 1x0p h GLN 8128Ca 0.03 -0.18 0.00 0.00 0.06 0.00 0.00 58.65 58.57 1x0p h GLN 8128Cb 0.73 -0.02 -0.02 0.00 0.30 0.00 0.00 27.48 28.46 1x0p h GLN 8128CO 0.06 0.69 0.33 0.00 -0.67 0.00 0.00 178.83 179.24 1x0p h PHE 8130N 0.68 -0.67 -0.83 0.00 3.57 -1.17 -0.74 116.94 117.78 1x0p h PHE 8130Ca 0.18 -0.02 0.06 0.00 3.53 0.00 0.00 57.97 61.73 1x0p h PHE 8130Cb -0.08 0.22 -0.06 0.00 2.79 0.00 0.00 35.95 38.82 1x0p h PHE 8130CO -0.04 -0.38 0.51 0.00 -2.23 0.00 0.00 178.31 176.17 1x0p h ARG 8131N -0.83 0.90 0.14 1.11 3.08 -1.08 0.15 114.38 117.86 1x0p h ARG 8131Ca -0.07 -0.05 0.01 0.00 0.07 0.00 0.00 59.98 59.93 1x0p h ARG 8131Cb 0.60 -0.20 -0.02 0.00 0.08 0.00 0.00 29.97 30.43 1x0p h ARG 8131CO 0.12 0.60 -0.15 0.35 -1.07 0.00 0.00 179.97 179.82 1x0p h PHE 8132N 0.93 -0.39 -0.79 3.04 3.57 -0.64 -0.99 116.94 121.66 1x0p h PHE 8132Ca 0.36 0.00 -0.03 0.00 3.53 0.00 0.00 57.97 61.84 1x0p h PHE 8132Cb 0.16 0.16 -0.04 0.00 2.79 0.00 0.00 35.95 39.02 1x0p h PHE 8132CO -0.04 -0.23 0.39 -0.07 -2.23 0.00 0.00 178.31 176.13 1x0p h LEU 8133N -0.33 1.03 -0.33 0.59 3.38 -0.65 -2.49 115.31 116.52 1x0p h LEU 8133Ca 0.01 -0.13 -0.01 0.00 0.09 0.00 0.00 57.88 57.84 1x0p h LEU 8133Cb 0.32 -0.26 -0.01 0.00 0.09 0.00 0.00 40.66 40.79 1x0p h LEU 8133CO -0.05 0.87 0.16 0.50 0.09 0.00 0.00 178.44 180.01 1x0p h LYS 8134N 1.12 0.47 -0.96 1.13 3.64 -0.45 0.49 116.57 122.00 1x0p h LYS 8134Ca 0.27 -0.07 0.01 0.00 -1.27 0.00 0.00 60.65 59.59 1x0p h LYS 8134Cb 0.11 -0.08 -0.05 0.00 -0.41 0.00 0.00 32.23 31.79 1x0p h LYS 8134CO -0.04 0.43 0.63 0.93 -2.27 0.00 0.00 179.45 179.14 1x0p h GLU 8135N 0.39 1.27 -0.06 1.90 5.08 -1.04 -0.26 114.58 121.86 1x0p h GLU 8135Ca 0.11 -0.08 -0.00 0.00 -1.00 0.00 0.00 59.36 58.39 1x0p h GLU 8135Cb 0.12 -0.28 -0.00 0.00 0.50 0.00 0.00 28.75 29.08 1x0p h GLU 8135CO -0.01 0.84 0.03 -0.07 -1.00 0.00 0.00 179.01 178.80 1x0p h LEU 8136N 1.30 0.08 -0.29 1.33 3.38 -1.08 -1.03 115.31 119.01 1x0p h LEU 8136Ca 0.35 -0.15 0.05 0.00 0.09 0.00 0.00 57.88 58.22 1x0p h LEU 8136Cb -0.14 -0.02 -0.08 0.00 0.09 0.00 0.00 40.66 40.51 1x0p h LEU 8136CO -0.07 0.21 -0.47 0.22 0.09 0.00 0.00 178.44 178.42 1x0p h TYR 8137N -0.05 -1.38 -0.55 1.13 3.20 -0.15 -0.39 116.97 118.78 1x0p h TYR 8137Ca 0.02 0.06 0.02 0.00 3.14 0.00 0.00 58.73 61.98 1x0p h TYR 8137Cb 0.15 0.64 -0.03 0.00 1.54 0.00 0.00 36.73 39.04 1x0p h TYR 8137CO -0.02 -0.48 0.37 -0.44 -1.64 0.00 0.00 178.16 175.94 1x0p h ASP 8138N -0.42 0.57 0.06 -2.11 3.32 -0.97 -3.23 116.42 113.63 1x0p h ASP 8138Ca 0.09 -0.01 -0.00 0.00 0.02 0.00 0.00 57.03 57.13 1x0p h ASP 8138Cb 0.62 -0.14 -0.00 0.00 0.22 0.00 0.00 39.33 40.03 1x0p h ASP 8138CO -0.51 0.40 -0.03 0.24 -1.72 0.00 0.00 179.24 177.62 1x0p h MET 8139N 0.67 -0.08 -5.85 3.56 2.86 0.30 -3.34 114.93 113.04 1x0p h MET 8139Ca 0.22 0.01 -0.58 0.00 -2.06 0.00 0.00 59.70 57.28 1x0p h MET 8139Cb 0.04 0.02 -0.08 0.00 0.06 0.00 0.00 31.60 31.64 1x0p h MET 8139CO -0.05 -0.05 1.75 -1.54 1.06 0.00 0.00 176.91 178.07 1x0p s SER 8140N -2.22 6.35 0.00 1.22 1.04 -0.88 -4.48 113.70 114.73 1x0p s SER 8140Ca -0.01 -1.95 0.00 0.00 0.48 0.00 0.00 55.95 54.47 1x0p s SER 8140Cb 0.00 -2.58 0.00 0.00 0.10 0.00 0.00 66.02 63.54 1x0p s SER 8140CO 0.04 -1.67 0.00 0.00 0.98 0.00 0.00 173.24 172.59 1x0p n GLN 8141N 8.54 4.85 0.00 4.02 6.02 -1.26 -4.90 117.38 134.65 1x0p n GLN 8141Ca 0.44 0.00 0.00 0.00 -0.01 0.00 0.00 57.00 57.43 1x0p n GLN 8141Cb 0.47 -0.61 0.00 0.00 1.02 0.00 0.00 30.24 31.13 1x0p n GLN 8141CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46