#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1qpq s LEU 1003N 0.00 3.92 0.66 0.99 1.43 -1.26 -5.05 118.68 119.37 1qpq s LEU 1003Ca 0.00 1.79 0.02 0.00 -1.03 0.00 0.00 54.13 54.91 1qpq s LEU 1003Cb 0.00 -4.53 0.11 0.00 0.03 0.00 0.00 46.19 41.79 1qpq s LEU 1003CO 0.00 -0.52 0.91 -0.94 0.23 0.00 0.00 176.35 176.04 1qpq s SER 1004N -2.08 4.65 0.13 2.29 1.04 -1.26 -4.81 113.70 113.65 1qpq s SER 1004Ca 0.64 -0.44 -0.20 0.00 0.48 0.00 0.00 55.95 56.42 1qpq s SER 1004Cb -0.12 -0.05 -0.03 0.00 0.10 0.00 0.00 66.02 65.93 1qpq s SER 1004CO 0.16 -1.64 1.70 0.44 0.98 0.00 0.00 173.24 174.88 1qpq h ASP 1005N -0.27 -0.21 -0.61 7.02 3.32 -1.98 0.70 116.42 124.40 1qpq h ASP 1005Ca -0.35 0.06 -0.01 0.00 0.02 0.00 0.00 57.03 56.74 1qpq h ASP 1005Cb 1.28 0.13 -0.03 0.00 0.22 0.00 0.00 39.33 40.93 1qpq h ASP 1005CO 0.42 -0.08 0.32 -0.25 -1.72 0.00 0.00 179.24 177.93 1qpq h TRP 1006N -0.02 0.84 -0.29 4.55 -0.00 -1.99 -0.35 115.95 118.70 1qpq h TRP 1006Ca 0.10 -0.02 -0.11 0.00 -0.00 0.00 0.00 58.89 58.85 1qpq h TRP 1006Cb 0.16 -0.27 -0.01 0.00 -0.00 0.00 0.00 29.16 29.04 1qpq h TRP 1006CO -0.22 0.61 -0.30 0.93 -0.00 0.00 0.00 178.44 179.46 1qpq h GLU 1007N 0.82 0.60 -0.37 2.65 5.08 -1.77 -0.06 114.58 121.53 1qpq h GLU 1007Ca 0.21 -0.26 -0.03 0.00 -1.00 0.00 0.00 59.36 58.28 1qpq h GLU 1007Cb 0.06 -0.02 -0.02 0.00 0.50 0.00 0.00 28.75 29.27 1qpq h GLU 1007CO -0.03 0.83 0.11 1.25 -1.00 0.00 0.00 179.01 180.16 1qpq h LEU 1008N 0.51 0.55 -0.75 1.33 5.85 0.77 0.17 115.31 123.74 1qpq h LEU 1008Ca 0.06 -0.22 -0.11 0.00 0.84 0.00 0.00 57.88 58.46 1qpq h LEU 1008Cb 0.77 -0.14 -0.01 0.00 0.37 0.00 0.00 40.66 41.64 1qpq h LEU 1008CO 0.06 0.62 -0.25 0.00 -0.34 0.00 0.00 178.44 178.53 1qpq h ALA 1009N 0.95 0.93 -0.44 1.25 0.00 -0.91 0.13 119.26 121.16 1qpq h ALA 1009Ca 0.12 -0.37 -0.12 0.00 0.00 0.00 0.00 54.91 54.53 1qpq h ALA 1009Cb 0.28 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 17.91 1qpq h ALA 1009CO -0.00 0.61 -0.21 0.00 0.00 0.00 0.00 179.25 179.65 1qpq h ALA 1010N 1.14 0.81 -0.05 0.00 0.00 -0.64 -1.76 119.26 118.75 1qpq h ALA 1010Ca 0.08 -0.38 -0.00 0.00 0.00 0.00 0.00 54.91 54.61 1qpq h ALA 1010Cb 0.74 -0.16 -0.00 0.00 0.00 0.00 0.00 17.79 18.37 1qpq h ALA 1010CO 0.06 0.65 0.02 0.00 0.00 0.00 0.00 179.25 179.98 1qpq h ALA 1011N 1.00 0.07 -0.77 0.00 0.00 -0.10 -1.50 119.26 117.95 1qpq h ALA 1011Ca 0.10 -0.08 0.00 0.00 0.00 0.00 0.00 54.91 54.94 1qpq h ALA 1011Cb 0.75 -0.02 -0.04 0.00 0.00 0.00 0.00 17.79 18.48 1qpq h ALA 1011CO 0.06 -0.36 0.50 0.00 0.00 0.00 0.00 179.25 179.45 1qpq h ARG 1012N -0.05 1.03 -0.27 0.00 3.08 -0.95 0.82 114.38 118.02 1qpq h ARG 1012Ca 0.02 -0.07 0.00 0.00 0.07 0.00 0.00 59.98 60.00 1qpq h ARG 1012Cb 0.14 -0.23 -0.01 0.00 0.08 0.00 0.00 29.97 29.95 1qpq h ARG 1012CO -0.00 0.69 0.18 0.00 -1.07 0.00 0.00 179.97 179.76 1qpq h ALA 1013N 1.27 0.35 -0.26 0.04 0.00 -1.04 -0.84 119.26 118.78 1qpq h ALA 1013Ca 0.28 -0.03 -0.04 0.00 0.00 0.00 0.00 54.91 55.12 1qpq h ALA 1013Cb -0.10 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 17.57 1qpq h ALA 1013CO -0.06 -0.17 -0.00 0.00 0.00 0.00 0.00 179.25 179.02 1qpq h ALA 1014N 1.08 0.36 -0.74 0.00 0.00 -0.71 -2.13 119.26 117.11 1qpq h ALA 1014Ca 0.10 -0.23 -0.00 0.00 0.00 0.00 0.00 54.91 54.78 1qpq h ALA 1014Cb -0.02 -0.10 -0.04 0.00 0.00 0.00 0.00 17.79 17.64 1qpq h ALA 1014CO -0.02 0.10 0.46 -0.84 0.00 0.00 0.00 179.25 178.94 1qpq h ILE 1015N 0.25 1.21 -0.82 0.00 -0.00 -0.68 0.17 117.51 117.63 1qpq h ILE 1015Ca 0.07 -0.45 0.06 0.00 -0.00 0.00 0.00 64.86 64.55 1qpq h ILE 1015Cb 0.43 0.16 -0.05 0.00 -0.00 0.00 0.00 36.82 37.36 1qpq h ILE 1015CO 0.01 0.21 0.54 0.00 -0.00 0.00 0.00 178.15 178.92 1qpq h ALA 1016N 1.24 1.60 -0.23 0.16 0.00 -1.01 -0.38 119.26 120.65 1qpq h ALA 1016Ca 0.27 -0.02 -0.18 0.00 0.00 0.00 0.00 54.91 54.97 1qpq h ALA 1016Cb -0.05 -0.23 -0.00 0.00 0.00 0.00 0.00 17.79 17.51 1qpq h ALA 1016CO -0.05 0.28 -0.58 0.00 0.00 0.00 0.00 179.25 178.89 1qpq h ARG 1017N 0.90 0.73 0.06 0.00 3.08 -0.41 -2.34 114.38 116.40 1qpq h ARG 1017Ca 0.35 -0.48 -0.00 0.00 0.07 0.00 0.00 59.98 59.92 1qpq h ARG 1017Cb 0.22 0.06 0.00 0.00 0.08 0.00 0.00 29.97 30.34 1qpq h ARG 1017CO -0.13 1.10 -0.03 0.78 -1.07 0.00 0.00 179.97 180.63 1qpq h GLY 1018N 0.85 -0.09 1.03 0.04 0.00 0.67 -1.79 103.07 103.77 1qpq h GLY 1018Ca 0.00 0.03 -0.02 0.00 0.00 0.00 0.00 47.33 47.35 1qpq h GLY 1018CO 0.12 -0.03 0.50 1.41 0.00 0.00 0.00 176.54 178.54 1qpq h LEU 1019N -0.17 1.12 -1.20 3.11 3.38 -1.16 -1.72 115.31 118.67 1qpq h LEU 1019Ca -0.01 -0.10 -0.05 0.00 0.09 0.00 0.00 57.88 57.82 1qpq h LEU 1019Cb 0.15 -0.29 -0.02 0.00 0.09 0.00 0.00 40.66 40.59 1qpq h LEU 1019CO 0.01 0.90 0.03 -0.78 0.09 0.00 0.00 178.44 178.69 1qpq h ASP 1020N 1.26 0.54 -0.54 -0.43 3.58 -1.26 -0.13 116.42 119.44 1qpq h ASP 1020Ca 0.32 -0.10 -0.07 0.00 0.42 0.00 0.00 57.03 57.60 1qpq h ASP 1020Cb 0.01 -0.14 -0.02 0.00 1.72 0.00 0.00 39.33 40.90 1qpq h ASP 1020CO -0.05 0.59 0.08 -0.33 -2.88 0.00 0.00 179.24 176.64 1qpq h GLU 1021N 0.56 0.95 -0.25 0.28 5.08 -0.42 -0.43 114.58 120.35 1qpq h GLU 1021Ca 0.12 -0.24 -0.16 0.00 -1.00 0.00 0.00 59.36 58.08 1qpq h GLU 1021Cb 0.31 -0.12 0.00 0.00 0.50 0.00 0.00 28.75 29.44 1qpq h GLU 1021CO 0.01 0.89 -0.45 -0.44 -1.00 0.00 0.00 179.01 178.02 1qpq h ASP 1022N 0.89 0.83 0.62 1.42 3.32 -1.00 -3.33 116.42 119.18 1qpq h ASP 1022Ca 0.18 -0.53 0.00 0.00 0.02 0.00 0.00 57.03 56.70 1qpq h ASP 1022Cb 0.42 -0.24 0.00 0.00 0.22 0.00 0.00 39.33 39.73 1qpq h ASP 1022CO 0.01 1.21 -0.56 0.18 -1.72 0.00 0.00 179.24 178.36 1qpq n LEU 1023N -4.14 0.55 -0.33 1.55 4.77 -0.12 -4.49 117.00 114.79 1qpq n LEU 1023Ca -0.05 0.08 0.29 0.00 -0.03 0.00 0.00 56.01 56.30 1qpq n LEU 1023Cb 0.57 -0.23 0.62 0.00 -2.33 0.00 0.00 43.42 42.06 1qpq n LEU 1023CO 0.48 0.06 1.26 -0.09 -1.33 0.00 0.00 177.39 177.77 1qpq h ARG 1024N 0.00 0.20 -0.02 3.23 2.43 -1.18 0.61 114.38 119.64 1qpq h ARG 1024Ca 0.00 -0.01 0.00 0.00 -0.81 0.00 0.00 59.98 59.16 1qpq h ARG 1024Cb 0.59 -0.04 0.00 0.00 -0.42 0.00 0.00 29.97 30.10 1qpq h ARG 1024CO 0.00 0.13 -0.05 0.66 -1.51 0.00 0.00 179.97 179.20 1qpq n TYR 1025N -4.44 0.00 0.00 2.20 4.02 -1.26 -5.04 117.16 112.64 1qpq n TYR 1025Ca 0.26 0.00 0.00 0.00 -0.01 0.00 0.00 57.90 58.15 1qpq n TYR 1025Cb 1.06 -0.01 0.00 0.00 -0.02 0.00 0.00 39.34 40.38 1qpq n TYR 1025CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 1qpq n GLY 1026N 1.31 1.02 3.86 2.72 0.00 0.21 -5.12 105.19 109.19 1qpq n GLY 1026Ca 0.15 -1.95 -0.30 0.00 0.00 0.00 0.00 46.02 43.93 1qpq n GLY 1026CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1qpq s PRO 1027N -1.17 0.59 -1.29 1.61 0.04 -1.26 -4.42 135.00 129.09 1qpq s PRO 1027Ca 0.00 -0.22 -0.18 0.00 0.04 0.00 0.00 61.00 60.64 1qpq s PRO 1027Cb 0.00 -1.82 0.03 0.00 0.04 0.00 0.00 34.50 32.74 1qpq s PRO 1027CO 0.00 -2.48 1.90 -3.47 0.04 0.00 0.00 177.00 172.99 1qpq n ASP 1028N -3.85 4.27 -0.32 6.66 -0.08 -1.26 -4.80 116.55 117.17 1qpq n ASP 1028Ca 0.13 -2.86 0.14 0.00 -1.51 0.00 0.00 54.79 50.69 1qpq n ASP 1028Cb 0.60 -1.68 0.32 0.00 2.34 0.00 0.00 41.12 42.69 1qpq n ASP 1028CO 0.00 0.00 0.00 1.62 0.12 0.00 0.00 177.20 178.94 1qpq h VAL 1029N 5.18 0.52 -0.20 5.18 3.04 -1.99 -1.73 116.25 126.24 1qpq h VAL 1029Ca 0.45 -0.16 -0.10 0.00 -1.01 0.00 0.00 66.70 65.88 1qpq h VAL 1029Cb 0.81 0.00 -0.01 0.00 -2.01 0.00 0.00 31.29 30.08 1qpq h VAL 1029CO 1.57 0.09 -0.29 0.00 -1.01 0.00 0.00 177.57 177.93 1qpq h THR 1030N 0.48 1.27 0.00 3.17 1.03 -1.99 -0.16 112.91 116.71 1qpq h THR 1030Ca 0.57 -1.30 -0.21 0.00 -0.01 0.00 0.00 66.41 65.47 1qpq h THR 1030Cb 1.06 1.43 -0.03 0.00 -1.07 0.00 0.00 68.15 69.54 1qpq h THR 1030CO -0.49 0.40 -1.28 0.71 -0.01 0.00 0.00 175.52 174.85 1qpq h THR 1031N 0.35 0.98 -0.71 0.00 1.35 -1.76 -2.91 112.91 110.21 1qpq h THR 1031Ca 0.05 -2.63 -0.06 0.00 -0.55 0.00 0.00 66.41 63.22 1qpq h THR 1031Cb 0.69 2.43 -0.03 0.00 -1.73 0.00 0.00 68.15 69.50 1qpq h THR 1031CO 0.05 0.56 0.20 -0.07 -0.25 0.00 0.00 175.52 176.01 1qpq h LEU 1032N 0.00 1.04 -0.57 3.87 4.07 -1.19 0.15 115.31 122.68 1qpq h LEU 1032Ca -0.14 -0.20 -0.01 0.00 0.08 0.00 0.00 57.88 57.60 1qpq h LEU 1032Cb 1.75 -0.27 -0.00 0.00 1.08 0.00 0.00 40.66 43.21 1qpq h LEU 1032CO 0.08 0.98 -0.04 0.00 -1.08 0.00 0.00 178.44 178.39 1qpq h ALA 1033N 1.15 0.98 0.00 1.53 0.00 -1.08 -3.37 119.26 118.47 1qpq h ALA 1033Ca 0.23 -0.03 -0.16 0.00 0.00 0.00 0.00 54.91 54.94 1qpq h ALA 1033Cb 0.33 -0.01 -0.03 0.00 0.00 0.00 0.00 17.79 18.08 1qpq h ALA 1033CO -0.00 0.05 -1.65 0.25 0.00 0.00 0.00 179.25 177.89 1qpq n THR 1034N -3.12 0.61 -5.01 0.00 -2.24 -1.00 -4.98 114.28 98.53 1qpq n THR 1034Ca 0.02 -0.40 -0.32 0.00 -2.27 0.00 0.00 64.05 61.08 1qpq n THR 1034Cb 0.46 -0.64 -0.15 0.00 -2.10 0.00 0.00 70.33 67.89 1qpq n THR 1034CO 0.00 0.00 0.00 0.54 -0.57 0.00 0.00 175.07 175.04 1qpq s VAL 1035N -2.29 2.58 0.37 2.28 0.11 0.51 -5.08 120.40 118.88 1qpq s VAL 1035Ca -0.05 -0.85 -0.26 0.00 -2.93 0.00 0.00 61.98 57.90 1qpq s VAL 1035Cb 0.03 -2.03 -0.09 0.00 -1.53 0.00 0.00 36.38 32.77 1qpq s VAL 1035CO 0.41 0.55 1.09 -2.16 -3.33 0.00 0.00 175.10 171.66 1qpq s PRO 1036N 0.17 4.23 0.47 1.54 0.04 -1.26 -4.61 135.00 135.58 1qpq s PRO 1036Ca -0.10 1.67 0.29 0.00 0.04 0.00 0.00 61.00 62.89 1qpq s PRO 1036Cb -0.16 -2.72 1.36 0.00 0.04 0.00 0.00 34.50 33.02 1qpq s PRO 1036CO 0.06 -0.12 1.76 0.00 0.04 0.00 0.00 177.00 178.74 1qpq h ALA 1037N 2.82 2.73 0.00 8.56 0.00 -1.95 0.29 119.26 131.72 1qpq h ALA 1037Ca -0.48 0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.45 1qpq h ALA 1037Cb 1.22 0.08 0.00 0.00 0.00 0.00 0.00 17.79 19.09 1qpq h ALA 1037CO 0.63 -1.14 0.00 -1.13 0.00 0.00 0.00 179.25 177.61 1qpq n SER 1038N -4.42 0.70 -4.68 0.00 3.41 -1.26 -4.86 113.62 102.51 1qpq n SER 1038Ca 0.27 0.58 -0.39 0.00 -0.26 0.00 0.00 58.87 59.08 1qpq n SER 1038Cb 1.14 -0.76 0.04 0.00 -0.26 0.00 0.00 64.21 64.37 1qpq n SER 1038CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1qpq n ALA 1039N -1.75 0.85 -3.39 7.33 0.00 1.00 -4.94 120.51 119.62 1qpq n ALA 1039Ca 0.05 0.10 -0.12 0.00 0.00 0.00 0.00 53.44 53.47 1qpq n ALA 1039Cb 0.38 -2.22 -0.11 0.00 0.00 0.00 0.00 19.45 17.50 1qpq n ALA 1039CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.50 178.49 1qpq s THR 1040N -1.36 -0.01 0.30 0.00 2.01 -1.26 -1.35 115.64 113.98 1qpq s THR 1040Ca 0.72 0.03 0.04 0.00 0.31 0.00 0.00 61.69 62.79 1qpq s THR 1040Cb -0.44 -0.53 -0.03 0.00 0.01 0.00 0.00 72.50 71.51 1qpq s THR 1040CO 0.50 0.01 0.20 0.42 -0.69 0.00 0.00 174.62 175.06 1qpq s THR 1041N 0.53 0.15 -0.18 -0.82 -4.23 -0.64 -4.80 115.64 105.65 1qpq s THR 1041Ca -0.03 -2.00 -0.03 0.00 -1.18 0.00 0.00 61.69 58.45 1qpq s THR 1041Cb -0.04 -2.49 -0.02 0.00 1.34 0.00 0.00 72.50 71.29 1qpq s THR 1041CO -0.03 0.00 -0.06 -0.89 -0.54 0.00 0.00 174.62 173.10 1qpq s THR 1042N -3.62 3.48 0.17 3.99 2.01 -1.26 -1.56 115.64 118.85 1qpq s THR 1042Ca 0.37 -0.48 0.07 0.00 0.31 0.00 0.00 61.69 61.96 1qpq s THR 1042Cb 0.04 -2.54 -0.04 0.00 0.01 0.00 0.00 72.50 69.97 1qpq s THR 1042CO 0.20 0.47 -0.14 0.00 -0.69 0.00 0.00 174.62 174.46 1qpq s ALA 1043N 0.85 1.82 0.01 7.40 0.00 -0.13 -4.62 121.76 127.08 1qpq s ALA 1043Ca -0.02 -1.53 0.04 0.00 0.00 0.00 0.00 51.96 50.46 1qpq s ALA 1043Cb -0.15 -0.08 -0.01 0.00 0.00 0.00 0.00 23.12 22.88 1qpq s ALA 1043CO 0.01 0.08 -0.12 -1.12 0.00 0.00 0.00 175.76 174.61 1qpq s SER 1044N -3.00 1.40 -0.41 0.00 0.01 0.10 -1.17 113.70 110.64 1qpq s SER 1044Ca 0.18 -0.29 -0.20 0.00 1.31 0.00 0.00 55.95 56.95 1qpq s SER 1044Cb -0.02 -0.13 0.01 0.00 0.21 0.00 0.00 66.02 66.10 1qpq s SER 1044CO 0.05 0.10 0.60 -0.76 0.41 0.00 0.00 173.24 173.63 1qpq s LEU 1045N -0.55 4.47 -0.03 2.44 2.01 -0.13 0.48 118.68 127.37 1qpq s LEU 1045Ca 0.03 -0.24 0.05 0.00 0.01 0.00 0.00 54.13 53.99 1qpq s LEU 1045Cb -0.06 -2.68 -0.01 0.00 0.01 0.00 0.00 46.19 43.46 1qpq s LEU 1045CO 0.00 -0.67 -0.19 0.68 1.01 0.00 0.00 176.35 177.18 1qpq s VAL 1046N 2.65 1.53 0.32 -1.59 -7.23 0.85 -0.27 120.40 116.66 1qpq s VAL 1046Ca 0.21 -0.80 -0.28 0.00 -1.81 0.00 0.00 61.98 59.30 1qpq s VAL 1046Cb -0.15 -1.30 -0.09 0.00 0.56 0.00 0.00 36.38 35.40 1qpq s VAL 1046CO 0.17 0.44 1.10 0.42 -0.31 0.00 0.00 175.10 176.92 1qpq s THR 1047N -0.21 3.47 -0.95 5.32 -4.23 -0.66 -0.59 115.64 117.79 1qpq s THR 1047Ca 0.01 1.38 0.24 0.00 -1.18 0.00 0.00 61.69 62.15 1qpq s THR 1047Cb -0.10 -3.84 -0.03 0.00 1.34 0.00 0.00 72.50 69.87 1qpq s THR 1047CO 0.01 0.26 1.32 0.54 -0.54 0.00 0.00 174.62 176.20 1qpq n ARG 1048N 0.81 0.04 -4.15 3.99 3.00 0.11 -3.78 116.66 116.69 1qpq n ARG 1048Ca 0.01 0.00 -0.13 0.00 -0.01 0.00 0.00 57.85 57.73 1qpq n ARG 1048Cb 0.46 -1.52 -0.08 0.00 0.00 0.00 0.00 32.46 31.32 1qpq n ARG 1048CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 177.63 175.80 1qpq s GLU 1049N -3.02 1.45 0.32 5.56 -1.05 -1.23 -4.80 118.70 115.92 1qpq s GLU 1049Ca 0.10 -1.60 -0.11 0.00 -0.15 0.00 0.00 54.97 53.21 1qpq s GLU 1049Cb 0.17 0.35 -0.07 0.00 -0.44 0.00 0.00 34.13 34.14 1qpq s GLU 1049CO 0.73 -0.54 0.67 0.00 0.95 0.00 0.00 175.26 177.07 1qpq s ALA 1050N -3.89 3.44 0.00 -0.84 0.00 -1.26 -3.91 121.76 115.29 1qpq s ALA 1050Ca 0.34 -0.20 0.00 0.00 0.00 0.00 0.00 51.96 52.10 1qpq s ALA 1050Cb 0.04 -2.59 0.00 0.00 0.00 0.00 0.00 23.12 20.56 1qpq s ALA 1050CO 0.14 0.27 0.00 0.41 0.00 0.00 0.00 175.76 176.58 1qpq n GLY 1051N -0.65 -1.02 3.58 0.00 0.00 -0.78 -4.98 105.19 101.35 1qpq n GLY 1051Ca 0.02 -1.04 -0.34 0.00 0.00 0.00 0.00 46.02 44.65 1qpq n GLY 1051CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1qpq s VAL 1052N -3.00 3.96 0.05 1.61 1.01 -1.26 -0.35 120.40 122.42 1qpq s VAL 1052Ca 0.00 -0.36 -0.19 0.00 0.00 0.00 0.00 61.98 61.43 1qpq s VAL 1052Cb 0.00 -2.68 -0.06 0.00 0.00 0.00 0.00 36.38 33.64 1qpq s VAL 1052CO 0.00 0.56 0.54 0.54 0.00 0.00 0.00 175.10 176.75 1qpq s VAL 1053N -0.40 4.82 -0.06 2.92 0.11 -0.85 -4.16 120.40 122.76 1qpq s VAL 1053Ca 0.07 1.15 -0.16 0.00 -2.93 0.00 0.00 61.98 60.11 1qpq s VAL 1053Cb -0.12 -3.87 0.03 0.00 -1.53 0.00 0.00 36.38 30.89 1qpq s VAL 1053CO 0.02 0.54 0.38 0.00 -3.33 0.00 0.00 175.10 172.71 1qpq s ALA 1054N -0.95 -0.96 0.00 1.54 0.00 -1.26 0.26 121.76 120.39 1qpq s ALA 1054Ca 0.28 0.70 0.00 0.00 0.00 0.00 0.00 51.96 52.94 1qpq s ALA 1054Cb -0.19 -0.18 0.00 0.00 0.00 0.00 0.00 23.12 22.75 1qpq s ALA 1054CO 0.18 -0.25 0.00 0.41 0.00 0.00 0.00 175.76 176.10 1qpq n GLY 1055N 1.78 0.63 0.28 0.00 0.00 -1.26 -3.85 105.19 102.77 1qpq n GLY 1055Ca -0.18 -0.68 0.01 0.00 0.00 0.00 0.00 46.02 45.17 1qpq n GLY 1055CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 1qpq h LEU 1056N 0.00 0.48 -1.49 0.99 4.07 -1.95 -0.36 115.31 117.06 1qpq h LEU 1056Ca 0.00 -0.07 -0.05 0.00 0.08 0.00 0.00 57.88 57.84 1qpq h LEU 1056Cb 0.03 -0.12 -0.01 0.00 1.08 0.00 0.00 40.66 41.63 1qpq h LEU 1056CO 0.00 0.51 -0.17 0.44 -1.08 0.00 0.00 178.44 178.14 1qpq h ASP 1057N 0.51 0.12 0.18 -0.43 3.32 -1.98 -0.70 116.42 117.44 1qpq h ASP 1057Ca 0.12 -0.02 -0.02 0.00 0.02 0.00 0.00 57.03 57.12 1qpq h ASP 1057Cb 0.24 -0.03 -0.00 0.00 0.22 0.00 0.00 39.33 39.75 1qpq h ASP 1057CO 0.00 0.30 -0.10 0.58 -1.72 0.00 0.00 179.24 178.30 1qpq h VAL 1058N 0.12 0.79 -0.07 -1.35 2.07 -1.46 -0.50 116.25 115.86 1qpq h VAL 1058Ca 0.02 -0.38 -0.04 0.00 0.82 0.00 0.00 66.70 67.12 1qpq h VAL 1058Cb 0.37 1.23 -0.00 0.00 -1.52 0.00 0.00 31.29 31.37 1qpq h VAL 1058CO 0.02 0.10 -0.11 0.00 0.02 0.00 0.00 177.57 177.60 1qpq h ALA 1059N 1.90 0.10 -0.64 1.67 0.00 -1.09 -2.33 119.26 118.87 1qpq h ALA 1059Ca -0.00 -0.32 0.05 0.00 0.00 0.00 0.00 54.91 54.63 1qpq h ALA 1059Cb 0.22 -0.02 -0.05 0.00 0.00 0.00 0.00 17.79 17.94 1qpq h ALA 1059CO 0.01 -0.03 0.36 -0.07 0.00 0.00 0.00 179.25 179.52 1qpq h LEU 1060N -0.28 0.54 -2.03 0.00 -0.00 -1.17 -1.31 115.31 111.07 1qpq h LEU 1060Ca 0.00 0.02 -0.01 0.00 -0.00 0.00 0.00 57.88 57.89 1qpq h LEU 1060Cb 0.67 -0.09 -0.00 0.00 -0.00 0.00 0.00 40.66 41.25 1qpq h LEU 1060CO 0.03 0.36 -0.06 -0.07 -0.00 0.00 0.00 178.44 178.69 1qpq h LEU 1061N 0.68 0.00 -0.37 1.67 3.38 -1.01 -1.01 115.31 118.65 1qpq h LEU 1061Ca 0.28 0.00 -0.19 0.00 0.09 0.00 0.00 57.88 58.06 1qpq h LEU 1061Cb 0.14 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 40.89 1qpq h LEU 1061CO -0.16 0.06 -0.70 0.74 0.09 0.00 0.00 178.44 178.48 1qpq h THR 1062N 0.00 1.34 -0.12 0.22 2.02 -0.68 -2.56 112.91 113.13 1qpq h THR 1062Ca -0.00 -2.01 -0.05 0.00 0.77 0.00 0.00 66.41 65.12 1qpq h THR 1062Cb 0.13 1.99 -0.00 0.00 -1.74 0.00 0.00 68.15 68.53 1qpq h THR 1062CO 0.01 0.62 -0.11 -0.07 0.37 0.00 0.00 175.52 176.34 1qpq h LEU 1063N 0.39 0.29 -0.73 2.58 -0.00 -0.77 -2.35 115.31 114.72 1qpq h LEU 1063Ca -0.03 -0.47 0.16 0.00 -0.00 0.00 0.00 57.88 57.54 1qpq h LEU 1063Cb 1.28 -0.08 -0.12 0.00 -0.00 0.00 0.00 40.66 41.74 1qpq h LEU 1063CO 0.13 0.71 0.09 0.78 -0.00 0.00 0.00 178.44 180.15 1qpq h ASN 1064N -0.11 -0.16 0.10 -0.43 2.35 -1.24 1.08 115.58 117.18 1qpq h ASN 1064Ca 0.02 0.17 -0.05 0.00 -0.55 0.00 0.00 56.30 55.89 1qpq h ASN 1064Cb 0.62 0.26 -0.01 0.00 0.05 0.00 0.00 38.32 39.24 1qpq h ASN 1064CO 0.03 -0.11 -0.17 -0.08 -1.65 0.00 0.00 177.43 175.45 1qpq h GLU 1065N 0.18 0.15 0.03 0.81 4.57 -1.29 0.33 114.58 119.37 1qpq h GLU 1065Ca 0.41 -0.03 -0.38 0.00 -1.18 0.00 0.00 59.36 58.17 1qpq h GLU 1065Cb 0.71 -0.02 -0.06 0.00 -0.16 0.00 0.00 28.75 29.22 1qpq h GLU 1065CO -0.57 0.32 -2.36 0.28 -1.18 0.00 0.00 179.01 175.50 1qpq n VAL 1066N -4.27 1.56 0.35 0.32 0.31 0.12 -4.62 118.33 112.11 1qpq n VAL 1066Ca -0.01 -0.59 0.07 0.00 -0.01 0.00 0.00 64.34 63.80 1qpq n VAL 1066Cb 0.28 -1.50 -0.10 0.00 -0.91 0.00 0.00 33.84 31.61 1qpq n VAL 1066CO 0.00 0.00 0.00 0.18 -1.32 0.00 0.00 176.83 175.69 1qpq n LEU 1067N -3.33 0.36 0.00 7.52 4.77 0.33 -5.01 117.00 121.64 1qpq n LEU 1067Ca -0.42 -0.27 0.00 0.00 -0.03 0.00 0.00 56.01 55.29 1qpq n LEU 1067Cb 1.00 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 42.09 1qpq n LEU 1067CO 0.30 0.09 0.00 0.61 -1.33 0.00 0.00 177.39 177.06 1qpq n GLY 1068N 1.49 -2.49 0.36 -0.72 0.00 0.12 -3.54 105.19 100.41 1qpq n GLY 1068Ca 0.00 -1.38 0.15 0.00 0.00 0.00 0.00 46.02 44.79 1qpq n GLY 1068CO 0.00 0.00 0.00 -0.84 0.00 0.00 0.00 173.32 172.48 1qpq h THR 1069N 0.00 0.67 -0.59 2.61 2.02 -1.89 0.13 112.91 115.87 1qpq h THR 1069Ca 0.00 -0.23 -0.19 0.00 0.77 0.00 0.00 66.41 66.75 1qpq h THR 1069Cb 0.00 -0.08 -0.11 0.00 -1.74 0.00 0.00 68.15 66.22 1qpq h THR 1069CO 0.00 0.12 0.24 0.59 0.37 0.00 0.00 175.52 176.85 1qpq n ASN 1070N -4.75 4.07 -0.59 4.18 3.02 -1.26 -4.11 115.26 115.82 1qpq n ASN 1070Ca 0.24 -2.95 0.10 0.00 -0.03 0.00 0.00 54.58 51.94 1qpq n ASN 1070Cb 0.63 -0.70 0.02 0.00 -0.61 0.00 0.00 39.78 39.13 1qpq n ASN 1070CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1qpq n GLY 1071N -0.12 0.25 3.61 7.41 0.00 0.45 -5.01 105.19 111.79 1qpq n GLY 1071Ca 0.33 -0.61 -0.09 0.00 0.00 0.00 0.00 46.02 45.65 1qpq n GLY 1071CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 1qpq s TYR 1072N -2.17 -0.15 -0.03 1.61 1.13 -1.26 -3.89 117.35 112.60 1qpq s TYR 1072Ca 0.20 -0.22 0.01 0.00 -1.41 0.00 0.00 57.07 55.65 1qpq s TYR 1072Cb 0.17 0.49 0.02 0.00 -1.10 0.00 0.00 41.96 41.54 1qpq s TYR 1072CO 0.45 -1.01 -0.01 0.50 -2.51 0.00 0.00 175.55 172.96 1qpq s ARG 1073N -3.89 0.45 -0.43 -3.49 3.52 0.68 -4.98 118.95 110.82 1qpq s ARG 1073Ca 0.10 0.01 -0.20 0.00 -0.13 0.00 0.00 55.73 55.51 1qpq s ARG 1073Cb -0.02 -0.57 0.02 0.00 -1.56 0.00 0.00 34.95 32.82 1qpq s ARG 1073CO -0.00 -0.10 0.60 0.08 -0.81 0.00 0.00 175.30 175.07 1qpq s VAL 1074N 0.91 4.88 0.11 7.11 1.01 -1.26 0.17 120.40 133.33 1qpq s VAL 1074Ca -0.10 0.06 0.01 0.00 0.00 0.00 0.00 61.98 61.95 1qpq s VAL 1074Cb -0.13 -4.16 -0.23 0.00 0.00 0.00 0.00 36.38 31.85 1qpq s VAL 1074CO -0.01 -0.54 1.23 -0.07 0.00 0.00 0.00 175.10 175.71 1qpq h LEU 1075N 9.55 0.22 -7.00 3.92 4.07 -0.88 -3.48 115.31 121.71 1qpq h LEU 1075Ca -0.26 -0.23 0.03 0.00 0.08 0.00 0.00 57.88 57.51 1qpq h LEU 1075Cb 1.10 -0.07 -0.20 0.00 1.08 0.00 0.00 40.66 42.57 1qpq h LEU 1075CO 0.87 1.15 0.40 -0.62 -1.08 0.00 0.00 178.44 179.16 1qpq s ASP 1076N -6.93 -0.48 0.16 -0.43 -1.08 -1.01 -4.98 116.67 101.93 1qpq s ASP 1076Ca -0.02 0.42 -0.20 0.00 -0.52 0.00 0.00 52.55 52.24 1qpq s ASP 1076Cb 0.09 0.41 0.05 0.00 -1.46 0.00 0.00 42.92 42.01 1qpq s ASP 1076CO 0.85 -0.51 0.53 0.00 0.52 0.00 0.00 175.17 176.56 1qpq s ARG 1077N -1.59 1.26 0.26 4.34 1.70 -1.26 -0.70 118.95 122.96 1qpq s ARG 1077Ca -0.04 -0.63 0.07 0.00 -0.47 0.00 0.00 55.73 54.66 1qpq s ARG 1077Cb -0.00 0.54 -0.03 0.00 -0.57 0.00 0.00 34.95 34.89 1qpq s ARG 1077CO 0.02 -0.53 0.21 0.54 -1.08 0.00 0.00 175.30 174.45 1qpq s VAL 1078N -3.79 4.32 0.19 4.99 0.11 -0.57 -4.98 120.40 120.67 1qpq s VAL 1078Ca 0.03 -1.40 -0.14 0.00 -2.93 0.00 0.00 61.98 57.54 1qpq s VAL 1078Cb -0.00 -3.37 -0.07 0.00 -1.53 0.00 0.00 36.38 31.40 1qpq s VAL 1078CO -0.10 -0.33 0.59 -1.61 -3.33 0.00 0.00 175.10 170.33 1qpq s GLU 1079N -3.86 3.99 0.37 1.54 0.41 -1.26 -5.01 118.70 114.88 1qpq s GLU 1079Ca 0.34 0.53 -0.28 0.00 -0.41 0.00 0.00 54.97 55.15 1qpq s GLU 1079Cb -0.08 -2.83 -0.11 0.00 -1.78 0.00 0.00 34.13 29.33 1qpq s GLU 1079CO 0.25 0.41 1.48 -0.51 -0.49 0.00 0.00 175.26 176.40 1qpq s ASP 1080N -1.86 6.37 0.00 -0.19 1.11 -1.26 -2.33 116.67 118.50 1qpq s ASP 1080Ca 0.42 3.03 0.00 0.00 0.18 0.00 0.00 52.55 56.17 1qpq s ASP 1080Cb -0.14 -2.67 0.00 0.00 1.07 0.00 0.00 42.92 41.18 1qpq s ASP 1080CO 0.20 -0.86 0.00 0.61 1.18 0.00 0.00 175.17 176.30 1qpq n GLY 1081N 0.56 0.41 3.74 0.21 0.00 0.14 -5.00 105.19 105.25 1qpq n GLY 1081Ca 0.01 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.63 1qpq n GLY 1081CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1qpq s ALA 1082N -2.12 3.34 0.03 4.61 0.00 -0.99 -4.75 121.76 121.88 1qpq s ALA 1082Ca 0.00 0.72 -0.28 0.00 0.00 0.00 0.00 51.96 52.40 1qpq s ALA 1082Cb 0.00 -3.29 -0.04 0.00 0.00 0.00 0.00 23.12 19.79 1qpq s ALA 1082CO 0.00 -0.04 0.89 1.03 0.00 0.00 0.00 175.76 177.64 1qpq s ARG 1083N -0.66 4.57 0.03 0.00 1.81 -1.26 -2.02 118.95 121.42 1qpq s ARG 1083Ca 0.46 1.28 0.04 0.00 -1.72 0.00 0.00 55.73 55.79 1qpq s ARG 1083Cb -0.27 -3.42 -0.02 0.00 -0.45 0.00 0.00 34.95 30.79 1qpq s ARG 1083CO 0.34 0.10 -0.12 0.08 -0.68 0.00 0.00 175.30 175.02 1qpq s VAL 1084N 0.51 0.91 0.55 3.52 1.01 0.53 -5.00 120.40 122.43 1qpq s VAL 1084Ca 0.46 -0.85 -0.01 0.00 0.00 0.00 0.00 61.98 61.58 1qpq s VAL 1084Cb -0.21 -0.83 0.02 0.00 0.00 0.00 0.00 36.38 35.36 1qpq s VAL 1084CO 0.26 -0.01 0.80 -2.16 0.00 0.00 0.00 175.10 173.99 1qpq s PRO 1085N -0.97 2.71 0.00 2.72 0.04 -1.26 -1.86 135.00 136.38 1qpq s PRO 1085Ca 0.00 -0.50 0.00 0.00 0.04 0.00 0.00 61.00 60.54 1qpq s PRO 1085Cb -0.07 -2.43 0.00 0.00 0.04 0.00 0.00 34.50 32.04 1qpq s PRO 1085CO 0.01 -0.65 0.75 -2.30 0.04 0.00 0.00 177.00 174.85 1qpq n PRO 1086N -2.38 0.00 -0.41 0.56 -0.02 -1.25 -2.75 135.00 128.74 1qpq n PRO 1086Ca 0.05 0.75 -0.04 0.00 -2.02 0.00 0.00 63.50 62.25 1qpq n PRO 1086Cb 0.59 -1.25 0.01 0.00 -0.02 0.00 0.00 33.50 32.83 1qpq n PRO 1086CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1qpq n GLY 1087N -1.00 2.65 3.75 -1.23 0.00 -1.25 -3.75 105.19 104.36 1qpq n GLY 1087Ca 0.00 -0.22 -0.41 0.00 0.00 0.00 0.00 46.02 45.40 1qpq n GLY 1087CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1qpq s GLU 1088N -0.43 4.61 -0.51 1.61 2.56 -1.11 -4.79 118.70 120.64 1qpq s GLU 1088Ca 0.07 1.77 -0.21 0.00 0.00 0.00 0.00 54.97 56.60 1qpq s GLU 1088Cb 0.06 -3.24 0.05 0.00 2.00 0.00 0.00 34.13 33.00 1qpq s GLU 1088CO 0.00 0.13 0.74 0.00 -0.56 0.00 0.00 175.26 175.57 1qpq s ALA 1089N -0.64 3.30 0.23 6.30 0.00 -1.26 -1.66 121.76 128.04 1qpq s ALA 1089Ca 0.47 -1.46 -0.01 0.00 0.00 0.00 0.00 51.96 50.96 1qpq s ALA 1089Cb -0.31 -3.47 0.24 0.00 0.00 0.00 0.00 23.12 19.58 1qpq s ALA 1089CO 0.38 -2.09 1.61 -0.07 0.00 0.00 0.00 175.76 175.59 1qpq h LEU 1090N 10.13 0.60 -7.00 0.00 3.38 -1.01 -3.44 115.31 117.96 1qpq h LEU 1090Ca -0.27 -0.25 -0.01 0.00 0.09 0.00 0.00 57.88 57.44 1qpq h LEU 1090Cb 1.09 -0.17 -0.22 0.00 0.09 0.00 0.00 40.66 41.45 1qpq h LEU 1090CO 0.99 0.91 0.18 -0.32 0.09 0.00 0.00 178.44 180.30 1qpq s MET 1091N -4.31 0.75 -0.12 1.13 0.00 -1.21 -1.51 119.30 114.02 1qpq s MET 1091Ca -0.07 0.95 0.03 0.00 0.00 0.00 0.00 55.69 56.59 1qpq s MET 1091Cb 0.13 0.33 0.01 0.00 0.00 0.00 0.00 34.83 35.30 1qpq s MET 1091CO 0.82 -0.10 -0.21 0.99 0.00 0.00 0.00 175.02 176.52 1qpq s THR 1092N 0.55 1.92 0.24 10.11 2.01 0.12 -0.95 115.64 129.64 1qpq s THR 1092Ca -0.01 -0.90 0.01 0.00 0.31 0.00 0.00 61.69 61.09 1qpq s THR 1092Cb -0.05 -1.69 -0.05 0.00 0.01 0.00 0.00 72.50 70.72 1qpq s THR 1092CO -0.04 0.52 0.11 -1.48 -0.69 0.00 0.00 174.62 173.05 1qpq s LEU 1093N 0.74 1.50 -0.13 4.42 0.05 -0.31 -0.14 118.68 124.81 1qpq s LEU 1093Ca -0.10 -1.40 0.01 0.00 0.05 0.00 0.00 54.13 52.70 1qpq s LEU 1093Cb -0.16 0.13 0.02 0.00 -2.05 0.00 0.00 46.19 44.13 1qpq s LEU 1093CO 0.01 -0.77 -0.15 -0.70 -0.55 0.00 0.00 176.35 174.19 1qpq s GLU 1094N -4.06 2.32 0.26 1.48 2.12 0.13 -0.96 118.70 119.99 1qpq s GLU 1094Ca 0.38 -0.58 -0.18 0.00 0.36 0.00 0.00 54.97 54.95 1qpq s GLU 1094Cb 0.07 -2.04 0.01 0.00 0.26 0.00 0.00 34.13 32.44 1qpq s GLU 1094CO 0.13 -0.15 0.63 0.00 -0.54 0.00 0.00 175.26 175.34 1qpq s ALA 1095N 1.22 -0.90 0.24 6.30 0.00 -0.60 -0.23 121.76 127.79 1qpq s ALA 1095Ca -0.01 -0.47 -0.30 0.00 0.00 0.00 0.00 51.96 51.18 1qpq s ALA 1095Cb -0.14 0.92 -0.10 0.00 0.00 0.00 0.00 23.12 23.80 1qpq s ALA 1095CO -0.06 -0.96 1.47 -1.14 0.00 0.00 0.00 175.76 175.06 1qpq s GLN 1096N -3.94 4.25 0.21 0.00 0.74 -1.25 -1.62 119.66 118.04 1qpq s GLN 1096Ca 0.14 2.33 -0.10 0.00 0.05 0.00 0.00 55.36 57.78 1qpq s GLN 1096Cb -0.04 -3.11 0.16 0.00 1.10 0.00 0.00 33.01 31.13 1qpq s GLN 1096CO 0.07 -0.46 1.86 1.15 -0.55 0.00 0.00 175.29 177.36 1qpq h THR 1097N 3.59 1.14 -0.69 -0.34 2.02 -1.52 -2.80 112.91 114.31 1qpq h THR 1097Ca -0.46 -0.31 0.01 0.00 0.77 0.00 0.00 66.41 66.43 1qpq h THR 1097Cb 1.22 0.15 -0.04 0.00 -1.74 0.00 0.00 68.15 67.74 1qpq h THR 1097CO 0.80 0.17 0.45 0.03 0.37 0.00 0.00 175.52 177.33 1qpq h ARG 1098N 0.91 0.88 -0.51 6.66 3.08 -1.86 -2.24 114.38 121.31 1qpq h ARG 1098Ca 0.27 -0.05 -0.02 0.00 0.07 0.00 0.00 59.98 60.25 1qpq h ARG 1098Cb -0.04 -0.20 -0.02 0.00 0.08 0.00 0.00 29.97 29.78 1qpq h ARG 1098CO -0.08 0.58 0.23 0.78 -1.07 0.00 0.00 179.97 180.41 1qpq h GLY 1099N 0.91 0.79 0.72 0.04 0.00 -1.92 -2.42 103.07 101.19 1qpq h GLY 1099Ca 0.26 -0.41 0.04 0.00 0.00 0.00 0.00 47.33 47.22 1qpq h GLY 1099CO -0.07 0.39 0.17 1.41 0.00 0.00 0.00 176.54 178.44 1qpq h LEU 1100N 0.67 0.22 -1.77 3.11 3.38 -1.21 0.05 115.31 119.75 1qpq h LEU 1100Ca 0.17 0.03 -0.03 0.00 0.09 0.00 0.00 57.88 58.14 1qpq h LEU 1100Cb 0.15 -0.00 -0.00 0.00 0.09 0.00 0.00 40.66 40.90 1qpq h LEU 1100CO -0.02 0.16 -0.14 -0.07 0.09 0.00 0.00 178.44 178.46 1qpq h LEU 1101N 0.35 0.00 0.10 1.67 4.07 -1.13 0.21 115.31 120.57 1qpq h LEU 1101Ca 0.18 0.00 -0.33 0.00 0.08 0.00 0.00 57.88 57.81 1qpq h LEU 1101Cb 0.13 0.00 -0.02 0.00 1.08 0.00 0.00 40.66 41.85 1qpq h LEU 1101CO -0.16 0.14 -1.75 0.74 -1.08 0.00 0.00 178.44 176.34 1qpq h THR 1102N 0.00 0.89 -0.04 0.22 2.02 -0.95 -3.35 112.91 111.70 1qpq h THR 1102Ca -0.00 -2.60 -0.17 0.00 0.77 0.00 0.00 66.41 64.41 1qpq h THR 1102Cb 0.41 2.60 -0.01 0.00 -1.74 0.00 0.00 68.15 69.40 1qpq h THR 1102CO 0.02 0.78 -0.72 0.00 0.37 0.00 0.00 175.52 175.97 1qpq h ALA 1103N 0.43 0.71 -0.18 6.16 0.00 -0.53 -3.40 119.26 122.44 1qpq h ALA 1103Ca -0.32 -0.62 0.02 0.00 0.00 0.00 0.00 54.91 53.99 1qpq h ALA 1103Cb 2.03 -0.08 -0.02 0.00 0.00 0.00 0.00 17.79 19.72 1qpq h ALA 1103CO 0.12 0.80 -0.11 -1.91 0.00 0.00 0.00 179.25 178.16 1qpq n GLU 1104N -3.79 -0.08 -0.20 0.00 2.13 0.68 -2.36 120.64 117.03 1qpq n GLU 1104Ca -0.03 0.68 -0.03 0.00 0.66 0.00 0.00 57.16 58.44 1qpq n GLU 1104Cb 0.69 -1.02 0.07 0.00 0.27 0.00 0.00 31.44 31.46 1qpq n GLU 1104CO 0.00 0.00 0.00 -0.09 -0.41 0.00 0.00 177.13 176.63 1qpq h ARG 1105N 0.00 0.58 -0.42 5.31 9.65 -1.83 0.72 114.38 128.38 1qpq h ARG 1105Ca 0.03 -0.03 0.00 0.00 -1.10 0.00 0.00 59.98 58.87 1qpq h ARG 1105Cb 0.07 -0.13 -0.02 0.00 -1.39 0.00 0.00 29.97 28.50 1qpq h ARG 1105CO -0.17 0.38 0.26 1.15 2.80 0.00 0.00 179.97 184.40 1qpq h THR 1106N 0.59 1.13 0.08 0.20 2.02 -1.78 -0.08 112.91 115.07 1qpq h THR 1106Ca 0.26 -0.27 -0.00 0.00 0.77 0.00 0.00 66.41 67.17 1qpq h THR 1106Cb 0.16 0.55 0.00 0.00 -1.74 0.00 0.00 68.15 67.11 1qpq h THR 1106CO -0.17 0.12 -0.04 -0.03 0.37 0.00 0.00 175.52 175.78 1qpq h MET 1107N 0.56 -0.10 -0.86 6.66 1.85 -1.04 -2.52 114.93 119.49 1qpq h MET 1107Ca 0.15 0.01 -0.02 0.00 -0.61 0.00 0.00 59.70 59.23 1qpq h MET 1107Cb -0.03 0.02 -0.04 0.00 0.43 0.00 0.00 31.60 31.99 1qpq h MET 1107CO -0.03 0.13 0.48 -0.07 -0.40 0.00 0.00 176.91 177.02 1qpq h LEU 1108N -0.32 1.07 -0.82 3.39 4.07 -0.73 -2.41 115.31 119.57 1qpq h LEU 1108Ca -0.01 -0.09 -0.03 0.00 0.08 0.00 0.00 57.88 57.83 1qpq h LEU 1108Cb 0.27 -0.27 -0.04 0.00 1.08 0.00 0.00 40.66 41.70 1qpq h LEU 1108CO 0.02 0.85 0.40 0.78 -1.08 0.00 0.00 178.44 179.41 1qpq h ASN 1109N 1.20 1.07 0.07 -0.43 2.35 -0.94 -1.16 115.58 117.74 1qpq h ASN 1109Ca 0.30 -0.13 -0.00 0.00 -0.55 0.00 0.00 56.30 55.92 1qpq h ASN 1109Cb 0.02 -0.27 0.00 0.00 0.05 0.00 0.00 38.32 38.12 1qpq h ASN 1109CO -0.05 0.90 -0.03 -0.07 -1.65 0.00 0.00 177.43 176.53 1qpq h LEU 1110N 1.16 -0.08 -1.07 1.61 -0.00 -1.12 -2.76 115.31 113.05 1qpq h LEU 1110Ca 0.28 -0.49 -0.06 0.00 -0.00 0.00 0.00 57.88 57.61 1qpq h LEU 1110Cb 0.11 0.02 -0.01 0.00 -0.00 0.00 0.00 40.66 40.79 1qpq h LEU 1110CO -0.04 0.48 -0.31 -0.37 -0.00 0.00 0.00 178.44 178.21 1qpq h VAL 1111N -0.69 0.77 -0.25 1.22 -1.51 -1.52 -0.13 116.25 114.14 1qpq h VAL 1111Ca -0.01 -1.31 -0.11 0.00 -1.23 0.00 0.00 66.70 64.04 1qpq h VAL 1111Cb 0.56 1.83 -0.00 0.00 -2.13 0.00 0.00 31.29 31.54 1qpq h VAL 1111CO 0.02 0.30 -0.27 1.23 -1.23 0.00 0.00 177.57 177.62 1qpq h GLY 1112N 1.95 0.68 0.68 5.19 0.00 -1.29 0.35 103.07 110.63 1qpq h GLY 1112Ca -0.00 -0.71 -0.01 0.00 0.00 0.00 0.00 47.33 46.61 1qpq h GLY 1112CO 0.04 0.64 -0.00 0.84 0.00 0.00 0.00 176.54 178.06 1qpq h HIS 1113N 0.34 0.07 -0.15 5.60 6.17 -1.21 0.68 115.15 126.65 1qpq h HIS 1113Ca 0.04 -0.01 -0.07 0.00 0.71 0.00 0.00 60.37 61.04 1qpq h HIS 1113Cb 0.84 -0.02 -0.01 0.00 2.52 0.00 0.00 27.41 30.74 1qpq h HIS 1113CO 0.08 0.38 -0.21 -0.07 0.71 0.00 0.00 177.93 178.83 1qpq h LEU 1114N -0.27 0.25 -0.22 0.26 3.38 -1.04 -2.25 115.31 115.42 1qpq h LEU 1114Ca 0.01 -0.06 -0.21 0.00 0.09 0.00 0.00 57.88 57.70 1qpq h LEU 1114Cb 0.36 -0.07 0.01 0.00 0.09 0.00 0.00 40.66 41.05 1qpq h LEU 1114CO 0.00 0.47 -0.76 0.28 0.09 0.00 0.00 178.44 178.52 1qpq h SER 1115N 0.23 0.86 -0.33 -0.43 0.02 -0.79 -2.53 113.55 110.58 1qpq h SER 1115Ca 0.04 -0.56 0.06 0.00 -0.84 0.00 0.00 61.79 60.49 1qpq h SER 1115Cb 0.50 -0.25 -0.05 0.00 0.14 0.00 0.00 62.40 62.74 1qpq h SER 1115CO 0.03 1.35 -0.00 1.23 -1.14 0.00 0.00 176.83 178.30 1qpq h GLY 1116N 0.71 0.33 0.85 -3.77 0.00 -0.43 -0.32 103.07 100.44 1qpq h GLY 1116Ca -0.05 0.04 -0.00 0.00 0.00 0.00 0.00 47.33 47.32 1qpq h GLY 1116CO 0.15 -0.08 -0.16 -2.22 0.00 0.00 0.00 176.54 174.23 1qpq h ILE 1117N 0.09 0.65 -0.43 2.60 2.04 -1.39 -1.69 117.51 119.38 1qpq h ILE 1117Ca 0.16 0.00 -0.01 0.00 1.00 0.00 0.00 64.86 66.01 1qpq h ILE 1117Cb 0.22 0.65 -0.02 0.00 -0.74 0.00 0.00 36.82 36.92 1qpq h ILE 1117CO -0.27 0.00 0.23 0.00 0.00 0.00 0.00 178.15 178.11 1qpq h ALA 1118N 0.38 1.60 -0.06 1.87 0.00 -1.26 -1.02 119.26 120.77 1qpq h ALA 1118Ca -0.01 -0.07 -0.01 0.00 0.00 0.00 0.00 54.91 54.82 1qpq h ALA 1118Cb 0.34 -0.18 -0.00 0.00 0.00 0.00 0.00 17.79 17.95 1qpq h ALA 1118CO -0.01 0.33 0.02 1.15 0.00 0.00 0.00 179.25 180.74 1qpq h THR 1119N 0.59 1.18 -0.55 0.00 2.02 -0.61 -1.91 112.91 113.63 1qpq h THR 1119Ca 0.15 -0.56 -0.11 0.00 0.77 0.00 0.00 66.41 66.67 1qpq h THR 1119Cb 0.02 1.45 -0.02 0.00 -1.74 0.00 0.00 68.15 67.86 1qpq h THR 1119CO -0.03 0.15 -0.09 0.00 0.37 0.00 0.00 175.52 175.93 1qpq h ALA 1120N 0.80 0.78 0.00 6.16 0.00 -1.04 -2.72 119.26 123.25 1qpq h ALA 1120Ca 0.02 -0.35 -0.03 0.00 0.00 0.00 0.00 54.91 54.55 1qpq h ALA 1120Cb 0.23 -0.20 -0.00 0.00 0.00 0.00 0.00 17.79 17.82 1qpq h ALA 1120CO -0.00 0.67 -0.13 1.79 0.00 0.00 0.00 179.25 181.58 1qpq h THR 1121N 0.92 0.41 -0.04 0.00 1.35 -1.14 -1.69 112.91 112.73 1qpq h THR 1121Ca 0.15 -0.75 -0.17 0.00 -0.55 0.00 0.00 66.41 65.09 1qpq h THR 1121Cb 0.66 1.53 -0.01 0.00 -1.73 0.00 0.00 68.15 68.60 1qpq h THR 1121CO 0.05 0.13 -0.71 0.00 -0.25 0.00 0.00 175.52 174.73 1qpq h ALA 1122N 1.87 0.72 -0.02 6.62 0.00 -1.04 -1.13 119.26 126.27 1qpq h ALA 1122Ca -0.00 -0.62 -0.00 0.00 0.00 0.00 0.00 54.91 54.29 1qpq h ALA 1122Cb 0.52 -0.08 -0.00 0.00 0.00 0.00 0.00 17.79 18.23 1qpq h ALA 1122CO 0.02 0.81 0.00 0.00 0.00 0.00 0.00 179.25 180.08 1qpq h ALA 1123N 1.11 0.03 -0.71 0.00 0.00 -1.08 -0.63 119.26 117.97 1qpq h ALA 1123Ca -0.02 -0.15 0.01 0.00 0.00 0.00 0.00 54.91 54.75 1qpq h ALA 1123Cb 1.27 -0.01 -0.04 0.00 0.00 0.00 0.00 17.79 19.01 1qpq h ALA 1123CO 0.11 -0.32 0.47 -1.49 0.00 0.00 0.00 179.25 178.02 1qpq h TRP 1124N -0.24 0.89 -0.67 0.00 4.06 -1.45 -1.12 115.95 117.42 1qpq h TRP 1124Ca 0.01 0.02 0.04 0.00 2.06 0.00 0.00 58.89 61.02 1qpq h TRP 1124Cb 0.29 -0.30 -0.05 0.00 -1.00 0.00 0.00 29.16 28.11 1qpq h TRP 1124CO 0.02 0.55 0.40 0.28 -3.56 0.00 0.00 178.44 176.13 1qpq h VAL 1125N 0.95 1.04 -0.25 1.49 2.07 -1.01 -1.71 116.25 118.84 1qpq h VAL 1125Ca 0.27 -0.26 -0.08 0.00 0.82 0.00 0.00 66.70 67.44 1qpq h VAL 1125Cb -0.08 0.21 -0.01 0.00 -1.52 0.00 0.00 31.29 29.88 1qpq h VAL 1125CO -0.07 0.14 -0.19 0.44 0.02 0.00 0.00 177.57 177.91 1qpq h ASP 1126N 0.77 0.43 -0.79 0.57 3.32 -0.62 -3.03 116.42 117.07 1qpq h ASP 1126Ca 0.28 -0.12 -0.01 0.00 0.02 0.00 0.00 57.03 57.19 1qpq h ASP 1126Cb 0.08 -0.12 -0.04 0.00 0.22 0.00 0.00 39.33 39.48 1qpq h ASP 1126CO -0.13 0.64 0.44 0.00 -1.72 0.00 0.00 179.24 178.47 1qpq h ALA 1127N 1.41 1.01 -0.52 3.45 0.00 -0.32 -2.92 119.26 121.37 1qpq h ALA 1127Ca 0.07 -0.11 0.00 0.00 0.00 0.00 0.00 54.91 54.87 1qpq h ALA 1127Cb 0.56 -0.31 0.00 0.00 0.00 0.00 0.00 17.79 18.04 1qpq h ALA 1127CO 0.04 0.51 0.00 1.33 0.00 0.00 0.00 179.25 181.12 1qpq n VAL 1128N -4.44 2.17 -2.09 0.00 0.24 -0.92 -4.33 118.33 108.97 1qpq n VAL 1128Ca 0.07 -1.16 -0.40 0.00 -2.04 0.00 0.00 64.34 60.81 1qpq n VAL 1128Cb 0.08 -0.20 -0.02 0.00 -1.47 0.00 0.00 33.84 32.23 1qpq n VAL 1128CO 0.00 0.00 0.00 -0.60 -2.14 0.00 0.00 176.83 174.09 1qpq s ARG 1129N -2.32 4.28 0.00 7.34 3.52 -1.10 -2.70 118.95 127.96 1qpq s ARG 1129Ca 0.47 2.23 0.00 0.00 -0.13 0.00 0.00 55.73 58.29 1qpq s ARG 1129Cb 0.34 -3.01 0.00 0.00 -1.56 0.00 0.00 34.95 30.72 1qpq s ARG 1129CO 0.16 -0.26 0.00 0.41 -0.81 0.00 0.00 175.30 174.80 1qpq n GLY 1130N 0.75 0.59 3.37 8.12 0.00 -1.26 -5.04 105.19 111.73 1qpq n GLY 1130Ca 0.01 -0.27 -0.19 0.00 0.00 0.00 0.00 46.02 45.57 1qpq n GLY 1130CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1qpq s THR 1131N -2.00 1.51 -0.90 2.61 2.01 -1.10 -5.05 115.64 112.72 1qpq s THR 1131Ca 0.00 -2.13 0.25 0.00 0.31 0.00 0.00 61.69 60.12 1qpq s THR 1131Cb 0.00 -2.27 0.02 0.00 0.01 0.00 0.00 72.50 70.26 1qpq s THR 1131CO 0.00 -0.42 1.40 2.29 -0.69 0.00 0.00 174.62 177.20 1qpq n LYS 1132N -0.46 0.08 -1.72 4.92 2.85 -1.26 -4.96 118.16 117.61 1qpq n LYS 1132Ca -0.06 0.02 -0.40 0.00 -1.05 0.00 0.00 58.31 56.82 1qpq n LYS 1132Cb 0.62 -1.55 0.02 0.00 -0.65 0.00 0.00 35.03 33.48 1qpq n LYS 1132CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 177.40 177.35 1qpq n ALA 1133N -1.59 1.41 -2.49 0.58 0.00 -1.26 -4.94 120.51 112.22 1qpq n ALA 1133Ca 0.05 0.20 -0.29 0.00 0.00 0.00 0.00 53.44 53.40 1qpq n ALA 1133Cb 0.36 -2.30 -0.11 0.00 0.00 0.00 0.00 19.45 17.40 1qpq n ALA 1133CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.50 177.65 1qpq s LYS 1134N -2.48 1.79 -0.24 0.00 3.01 -0.88 -4.96 119.74 115.97 1qpq s LYS 1134Ca 0.65 -1.21 -0.13 0.00 -1.01 0.00 0.00 55.97 54.27 1qpq s LYS 1134Cb -0.46 -2.10 -0.04 0.00 -1.01 0.00 0.00 37.83 34.21 1qpq s LYS 1134CO 0.55 0.47 0.28 0.42 0.51 0.00 0.00 175.35 177.57 1qpq s ILE 1135N -1.23 5.27 0.27 2.17 -1.09 -1.26 -1.38 121.20 123.94 1qpq s ILE 1135Ca 0.19 0.40 0.12 0.00 -2.23 0.00 0.00 60.65 59.13 1qpq s ILE 1135Cb -0.10 -3.61 -0.05 0.00 -1.58 0.00 0.00 42.46 37.12 1qpq s ILE 1135CO 0.11 0.26 -0.19 -0.13 -1.23 0.00 0.00 174.94 173.76 1qpq s ARG 1136N 1.46 1.65 0.31 2.79 0.52 0.24 -0.55 118.95 125.36 1qpq s ARG 1136Ca 0.12 -1.75 0.03 0.00 -0.52 0.00 0.00 55.73 53.60 1qpq s ARG 1136Cb -0.15 -1.70 0.06 0.00 0.52 0.00 0.00 34.95 33.68 1qpq s ARG 1136CO 0.08 0.31 0.42 -0.40 0.02 0.00 0.00 175.30 175.73 1qpq n ASP 1137N -0.60 0.86 -2.09 0.23 5.68 -1.19 -0.95 116.55 118.49 1qpq n ASP 1137Ca -0.05 -1.66 -0.07 0.00 -0.50 0.00 0.00 54.79 52.51 1qpq n ASP 1137Cb 0.60 -0.25 -0.02 0.00 -1.14 0.00 0.00 41.12 40.31 1qpq n ASP 1137CO 0.00 0.00 0.00 0.35 -1.33 0.00 0.00 177.20 176.22 1qpq n THR 1138N -1.81 0.00 -0.54 2.12 -2.24 -1.26 -4.31 114.28 106.24 1qpq n THR 1138Ca 0.08 -0.71 0.05 0.00 -2.27 0.00 0.00 64.05 61.19 1qpq n THR 1138Cb 0.29 0.28 0.32 0.00 -2.10 0.00 0.00 70.33 69.11 1qpq n THR 1138CO 0.00 0.00 0.00 0.54 -0.57 0.00 0.00 175.07 175.04 1qpq n ARG 1139N -0.26 4.10 -2.25 -0.78 1.74 -1.26 -4.66 116.66 113.29 1qpq n ARG 1139Ca -0.01 -2.55 -0.42 0.00 -0.77 0.00 0.00 57.85 54.10 1qpq n ARG 1139Cb 0.18 -2.12 0.00 0.00 -1.02 0.00 0.00 32.46 29.50 1qpq n ARG 1139CO 0.00 0.00 0.00 1.63 -1.52 0.00 0.00 177.63 177.74 1qpq n LYS 1140N 0.46 3.67 -4.17 5.56 5.02 -1.26 -4.93 118.16 122.52 1qpq n LYS 1140Ca 0.23 -3.45 -0.24 0.00 -2.02 0.00 0.00 58.31 52.83 1qpq n LYS 1140Cb 1.04 -2.92 -0.07 0.00 -0.02 0.00 0.00 35.03 33.05 1qpq n LYS 1140CO 0.00 0.00 0.00 0.95 -0.52 0.00 0.00 177.40 177.83 1qpq s THR 1141N 0.42 2.52 -0.05 -0.18 -4.23 -1.26 -3.07 115.64 109.80 1qpq s THR 1141Ca 0.42 -1.75 -0.17 0.00 -1.18 0.00 0.00 61.69 59.00 1qpq s THR 1141Cb 0.11 -2.95 -0.05 0.00 1.34 0.00 0.00 72.50 70.95 1qpq s THR 1141CO -0.01 -0.08 0.45 -0.76 -0.54 0.00 0.00 174.62 173.68 1qpq s LEU 1142N -3.85 4.38 -0.25 4.79 2.01 -1.26 -4.98 118.68 119.51 1qpq s LEU 1142Ca 0.39 0.92 -0.37 0.00 0.01 0.00 0.00 54.13 55.08 1qpq s LEU 1142Cb 0.02 -2.66 -0.13 0.00 0.01 0.00 0.00 46.19 43.42 1qpq s LEU 1142CO 0.22 0.16 1.93 -0.81 1.01 0.00 0.00 176.35 178.86 1qpq n PRO 1143N 2.71 1.40 0.00 1.29 -0.04 -1.26 -0.61 135.00 138.49 1qpq n PRO 1143Ca -0.10 0.48 0.00 0.00 -0.04 0.00 0.00 63.50 63.84 1qpq n PRO 1143Cb 0.52 -2.36 0.00 0.00 -0.04 0.00 0.00 33.50 31.62 1qpq n PRO 1143CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1qpq n GLY 1144N 5.03 0.15 0.13 0.55 0.00 -1.26 -4.90 105.19 104.89 1qpq n GLY 1144Ca 0.30 0.00 0.01 0.00 0.00 0.00 0.00 46.02 46.34 1qpq n GLY 1144CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1qpq n LEU 1145N 0.00 1.43 -0.18 0.99 4.77 0.22 -4.81 117.00 119.42 1qpq n LEU 1145Ca 0.00 -1.18 -0.02 0.00 -0.03 0.00 0.00 56.01 54.78 1qpq n LEU 1145Cb 0.00 -0.01 0.05 0.00 -2.33 0.00 0.00 43.42 41.13 1qpq n LEU 1145CO 0.00 0.33 0.78 -0.09 -1.33 0.00 0.00 177.39 177.08 1qpq h ARG 1146N 0.57 0.02 -0.93 3.23 2.43 -1.90 0.14 114.38 117.95 1qpq h ARG 1146Ca 0.00 -0.00 0.01 0.00 -0.81 0.00 0.00 59.98 59.18 1qpq h ARG 1146Cb 0.20 -0.01 -0.05 0.00 -0.42 0.00 0.00 29.97 29.70 1qpq h ARG 1146CO 0.00 0.02 0.62 0.00 -1.51 0.00 0.00 179.97 179.09 1qpq h ALA 1147N 1.53 1.34 -0.03 2.80 0.00 -1.94 0.11 119.26 123.07 1qpq h ALA 1147Ca 0.26 -0.06 -0.02 0.00 0.00 0.00 0.00 54.91 55.10 1qpq h ALA 1147Cb 0.41 -0.38 -0.00 0.00 0.00 0.00 0.00 17.79 17.82 1qpq h ALA 1147CO -0.53 0.61 -0.04 -0.07 0.00 0.00 0.00 179.25 179.22 1qpq h LEU 1148N 1.26 0.09 -0.77 0.00 3.38 -1.42 -1.65 115.31 116.20 1qpq h LEU 1148Ca 0.34 -0.51 0.05 0.00 0.09 0.00 0.00 57.88 57.85 1qpq h LEU 1148Cb -0.14 -0.03 -0.05 0.00 0.09 0.00 0.00 40.66 40.53 1qpq h LEU 1148CO -0.08 0.58 0.47 1.56 0.09 0.00 0.00 178.44 181.07 1qpq h GLN 1149N -0.40 0.86 -0.69 1.13 4.20 -0.50 0.54 115.11 120.25 1qpq h GLN 1149Ca 0.00 -0.05 -0.05 0.00 0.06 0.00 0.00 58.65 58.61 1qpq h GLN 1149Cb 0.56 -0.19 -0.03 0.00 0.30 0.00 0.00 27.48 28.11 1qpq h GLN 1149CO 0.01 0.57 0.22 0.87 -0.67 0.00 0.00 178.83 179.83 1qpq h LYS 1150N 0.89 1.06 -0.56 1.46 6.56 -0.82 -1.98 116.57 123.19 1qpq h LYS 1150Ca 0.32 -0.22 -0.03 0.00 -1.06 0.00 0.00 60.65 59.66 1qpq h LYS 1150Cb 0.10 -0.16 -0.02 0.00 -0.57 0.00 0.00 32.23 31.57 1qpq h LYS 1150CO -0.14 0.90 0.22 -0.92 -2.06 0.00 0.00 179.45 177.45 1qpq h TYR 1151N 1.02 0.85 -0.63 -1.35 3.20 -0.14 -2.92 116.97 117.00 1qpq h TYR 1151Ca 0.22 -0.07 -0.07 0.00 3.14 0.00 0.00 58.73 61.96 1qpq h TYR 1151Cb 0.29 -0.25 -0.03 0.00 1.54 0.00 0.00 36.73 38.28 1qpq h TYR 1151CO 0.02 0.69 0.12 0.00 -1.64 0.00 0.00 178.16 177.35 1qpq h ALA 1152N 1.07 1.01 -0.17 1.82 0.00 -0.43 -1.31 119.26 121.26 1qpq h ALA 1152Ca 0.19 -0.25 -0.10 0.00 0.00 0.00 0.00 54.91 54.75 1qpq h ALA 1152Cb 0.21 -0.25 -0.01 0.00 0.00 0.00 0.00 17.79 17.74 1qpq h ALA 1152CO -0.01 0.63 -0.32 -0.39 0.00 0.00 0.00 179.25 179.16 1qpq h VAL 1153N 0.96 1.28 -0.19 0.00 -1.51 -1.35 -1.27 116.25 114.16 1qpq h VAL 1153Ca 0.20 -1.35 -0.11 0.00 -1.23 0.00 0.00 66.70 64.20 1qpq h VAL 1153Cb 0.39 1.50 -0.01 0.00 -2.13 0.00 0.00 31.29 31.04 1qpq h VAL 1153CO 0.01 0.42 -0.37 -0.09 -1.23 0.00 0.00 177.57 176.31 1qpq h ARG 1154N 0.30 0.41 -0.04 5.19 2.43 -1.29 -0.06 114.38 121.33 1qpq h ARG 1154Ca 0.04 -0.19 -0.11 0.00 -0.81 0.00 0.00 59.98 58.91 1qpq h ARG 1154Cb 0.72 -0.01 -0.01 0.00 -0.42 0.00 0.00 29.97 30.25 1qpq h ARG 1154CO 0.05 0.72 -0.46 1.15 -1.51 0.00 0.00 179.97 179.93 1qpq h THR 1155N 0.35 1.34 -0.00 0.20 2.02 -0.35 -2.61 112.91 113.85 1qpq h THR 1155Ca 0.04 -1.62 0.00 0.00 0.77 0.00 0.00 66.41 65.60 1qpq h THR 1155Cb 0.81 1.83 0.00 0.00 -1.74 0.00 0.00 68.15 69.04 1qpq h THR 1155CO 0.06 0.47 -0.03 0.61 0.37 0.00 0.00 175.52 177.00 1qpq n GLY 1156N -0.14 -0.74 0.00 2.16 0.00 -0.57 -4.63 105.19 101.27 1qpq n GLY 1156Ca -0.02 -0.28 0.00 0.00 0.00 0.00 0.00 46.02 45.72 1qpq n GLY 1156CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1qpq n GLY 1157N 1.14 0.97 3.92 -0.02 0.00 -0.98 -3.21 105.19 107.01 1qpq n GLY 1157Ca 0.19 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.92 1qpq n GLY 1157CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1qpq s GLY 1158N -1.79 1.77 -0.05 -0.02 0.00 -0.06 -4.83 107.32 102.34 1qpq s GLY 1158Ca 0.00 -1.18 0.03 0.00 0.00 0.00 0.00 44.72 43.57 1qpq s GLY 1158CO 0.00 -0.41 -0.13 -1.34 0.00 0.00 0.00 173.10 171.21 1qpq s VAL 1159N -3.86 1.15 0.44 1.40 -7.23 0.28 -4.27 120.40 108.32 1qpq s VAL 1159Ca 0.74 -0.53 -0.25 0.00 -1.81 0.00 0.00 61.98 60.13 1qpq s VAL 1159Cb -0.04 -1.02 -0.08 0.00 0.56 0.00 0.00 36.38 35.80 1qpq s VAL 1159CO 0.53 0.35 1.30 0.20 -0.31 0.00 0.00 175.10 177.16 1qpq s ASN 1160N 0.32 6.11 0.00 4.85 0.01 -1.26 -3.20 114.94 121.77 1qpq s ASN 1160Ca -0.08 2.63 0.00 0.00 -0.71 0.00 0.00 52.86 54.70 1qpq s ASN 1160Cb -0.12 -2.63 0.00 0.00 0.41 0.00 0.00 41.25 38.90 1qpq s ASN 1160CO 0.02 -0.98 0.00 1.57 -1.51 0.00 0.00 177.10 176.20 1qpq n HIS 1161N -0.15 0.00 -1.53 2.20 -0.00 -1.26 -4.83 115.22 109.64 1qpq n HIS 1161Ca 0.05 0.00 -0.33 0.00 0.46 0.00 0.00 57.72 57.91 1qpq n HIS 1161Cb 0.44 0.00 0.07 0.00 -0.12 0.00 0.00 29.99 30.38 1qpq n HIS 1161CO 0.00 0.00 0.00 -0.98 0.46 0.00 0.00 176.34 175.82 1qpq s ARG 1162N 2.25 2.49 0.06 1.57 1.70 -1.26 -4.96 118.95 120.80 1qpq s ARG 1162Ca 0.00 1.39 0.22 0.00 -0.47 0.00 0.00 55.73 56.87 1qpq s ARG 1162Cb 0.00 -1.91 -0.12 0.00 -0.57 0.00 0.00 34.95 32.35 1qpq s ARG 1162CO 0.00 -1.49 0.82 1.28 -1.08 0.00 0.00 175.30 174.83 1qpq n LEU 1163N -2.83 0.47 0.00 -1.89 4.77 -1.26 -4.80 117.00 111.46 1qpq n LEU 1163Ca 0.10 0.06 0.00 0.00 -0.03 0.00 0.00 56.01 56.15 1qpq n LEU 1163Cb 0.52 -0.05 0.00 0.00 -2.33 0.00 0.00 43.42 41.56 1qpq n LEU 1163CO 0.49 -0.03 0.00 0.61 -1.33 0.00 0.00 177.39 177.13 1qpq n GLY 1164N 1.28 3.19 0.08 -0.72 0.00 -1.26 -5.05 105.19 102.72 1qpq n GLY 1164Ca -0.01 -0.90 -0.09 0.00 0.00 0.00 0.00 46.02 45.02 1qpq n GLY 1164CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 1qpq h LEU 1165N 0.00 0.03 -0.65 0.99 4.07 -1.96 -3.33 115.31 114.46 1qpq h LEU 1165Ca 0.00 -0.07 0.00 0.00 0.08 0.00 0.00 57.88 57.89 1qpq h LEU 1165Cb 0.00 -0.01 0.00 0.00 1.08 0.00 0.00 40.66 41.73 1qpq h LEU 1165CO 0.00 1.06 -0.28 0.61 -1.08 0.00 0.00 178.44 178.75 1qpq n GLY 1166N 1.55 -0.41 0.23 0.83 0.00 -1.26 -4.15 105.19 101.98 1qpq n GLY 1166Ca -0.15 -0.46 -0.07 0.00 0.00 0.00 0.00 46.02 45.34 1qpq n GLY 1166CO 0.00 0.00 0.00 -1.80 0.00 0.00 0.00 173.32 171.52 1qpq h ASP 1167N 1.59 0.65 -4.80 1.61 1.82 -1.98 -3.46 116.42 111.85 1qpq h ASP 1167Ca 0.00 -0.05 0.08 0.00 -0.39 0.00 0.00 57.03 56.68 1qpq h ASP 1167Cb 0.56 -0.16 -0.13 0.00 0.68 0.00 0.00 39.33 40.27 1qpq h ASP 1167CO 0.00 0.51 0.42 0.00 -1.61 0.00 0.00 179.24 178.56 1qpq s ALA 1168N -6.03 -1.74 0.16 -0.78 0.00 -1.26 -4.79 121.76 107.33 1qpq s ALA 1168Ca -0.13 0.76 -0.11 0.00 0.00 0.00 0.00 51.96 52.49 1qpq s ALA 1168Cb 0.12 0.56 -0.07 0.00 0.00 0.00 0.00 23.12 23.74 1qpq s ALA 1168CO 0.75 -0.75 0.50 0.00 0.00 0.00 0.00 175.76 176.27 1qpq s ALA 1169N -3.31 3.62 -0.28 0.00 0.00 0.14 -4.82 121.76 117.12 1qpq s ALA 1169Ca 0.05 -0.27 0.00 0.00 0.00 0.00 0.00 51.96 51.74 1qpq s ALA 1169Cb -0.01 -2.40 0.15 0.00 0.00 0.00 0.00 23.12 20.85 1qpq s ALA 1169CO -0.08 0.52 0.39 -1.17 0.00 0.00 0.00 175.76 175.41 1qpq s LEU 1170N -2.34 -0.69 -0.34 0.00 0.20 -1.25 -2.18 118.68 112.07 1qpq s LEU 1170Ca 0.41 -0.22 -0.29 0.00 0.69 0.00 0.00 54.13 54.72 1qpq s LEU 1170Cb -0.13 1.06 0.02 0.00 -0.43 0.00 0.00 46.19 46.70 1qpq s LEU 1170CO 0.20 -0.34 1.15 -0.63 -0.29 0.00 0.00 176.35 176.44 1qpq s ILE 1171N 2.53 4.35 0.55 6.68 1.01 -0.21 -4.96 121.20 131.15 1qpq s ILE 1171Ca 0.11 1.51 0.08 0.00 0.00 0.00 0.00 60.65 62.35 1qpq s ILE 1171Cb -0.13 -4.38 0.06 0.00 0.01 0.00 0.00 42.46 38.02 1qpq s ILE 1171CO -0.26 -0.58 0.64 -0.54 0.00 0.00 0.00 174.94 174.21 1qpq s LYS 1172N 3.96 2.34 0.23 2.79 1.02 -1.26 -1.06 119.74 127.75 1qpq s LYS 1172Ca 0.49 -1.72 -0.07 0.00 0.02 0.00 0.00 55.97 54.70 1qpq s LYS 1172Cb -0.12 -2.48 0.36 0.00 -0.52 0.00 0.00 37.83 35.07 1qpq s LYS 1172CO 0.21 -0.72 1.76 0.38 -0.92 0.00 0.00 175.35 176.05 1qpq h ASP 1173N 0.42 0.36 0.42 2.83 2.03 -1.95 -2.08 116.42 118.44 1qpq h ASP 1173Ca -0.33 0.08 -0.02 0.00 -0.73 0.00 0.00 57.03 56.03 1qpq h ASP 1173Cb 1.29 0.03 -0.00 0.00 -0.83 0.00 0.00 39.33 39.82 1qpq h ASP 1173CO 0.47 0.19 -0.11 0.78 -1.03 0.00 0.00 179.24 179.53 1qpq h ASN 1174N 0.51 0.00 0.21 4.15 2.35 -1.99 -1.60 115.58 119.21 1qpq h ASN 1174Ca 0.36 0.00 -0.33 0.00 -0.55 0.00 0.00 56.30 55.78 1qpq h ASN 1174Cb 0.45 0.00 0.02 0.00 0.05 0.00 0.00 38.32 38.85 1qpq h ASN 1174CO -0.32 0.11 -1.54 0.45 -1.65 0.00 0.00 177.43 174.49 1qpq h HIS 1175N 0.00 0.83 -0.82 1.19 3.86 -1.79 -2.89 115.15 115.53 1qpq h HIS 1175Ca -0.00 -0.60 0.09 0.00 -1.16 0.00 0.00 60.37 58.69 1qpq h HIS 1175Cb 0.35 -0.03 -0.07 0.00 1.06 0.00 0.00 27.41 28.72 1qpq h HIS 1175CO 0.00 1.59 0.48 0.28 0.86 0.00 0.00 177.93 181.14 1qpq h VAL 1176N 0.06 0.94 0.25 2.45 2.07 -1.08 0.28 116.25 121.22 1qpq h VAL 1176Ca -0.29 -0.28 -0.01 0.00 0.82 0.00 0.00 66.70 66.94 1qpq h VAL 1176Cb 2.08 0.05 0.00 0.00 -1.52 0.00 0.00 31.29 31.90 1qpq h VAL 1176CO 0.22 0.15 -0.12 0.00 0.02 0.00 0.00 177.57 177.84 1qpq h ALA 1177N 1.44 -0.33 -0.47 1.67 0.00 -1.33 0.44 119.26 120.67 1qpq h ALA 1177Ca 0.39 -0.09 0.00 0.00 0.00 0.00 0.00 54.91 55.21 1qpq h ALA 1177Cb 0.32 0.13 -0.02 0.00 0.00 0.00 0.00 17.79 18.21 1qpq h ALA 1177CO -0.23 -0.66 0.30 0.00 0.00 0.00 0.00 179.25 178.66 1qpq h ALA 1178N 0.37 0.60 0.00 0.00 0.00 -1.23 -2.02 119.26 116.98 1qpq h ALA 1178Ca -0.03 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 54.83 1qpq h ALA 1178Cb 0.29 -0.19 0.00 0.00 0.00 0.00 0.00 17.79 17.89 1qpq h ALA 1178CO 0.06 0.07 0.00 0.00 0.00 0.00 0.00 179.25 179.37 1qpq n ALA 1179N -2.24 2.02 0.00 0.00 0.00 0.94 -4.91 120.51 116.32 1qpq n ALA 1179Ca 0.02 -0.01 0.00 0.00 0.00 0.00 0.00 53.44 53.44 1qpq n ALA 1179Cb 0.04 -1.41 0.00 0.00 0.00 0.00 0.00 19.45 18.08 1qpq n ALA 1179CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1qpq n GLY 1180N 0.77 2.72 3.29 0.00 0.00 0.15 -4.64 105.19 107.47 1qpq n GLY 1180Ca 0.05 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 45.95 1qpq n GLY 1180CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1qpq s SER 1181N 0.14 -0.18 0.03 1.61 0.15 -1.07 -4.85 113.70 109.52 1qpq s SER 1181Ca 0.00 -0.20 -0.24 0.00 0.70 0.00 0.00 55.95 56.21 1qpq s SER 1181Cb 0.00 0.41 -0.17 0.00 -1.71 0.00 0.00 66.02 64.54 1qpq s SER 1181CO 0.00 -0.70 1.44 0.58 1.20 0.00 0.00 173.24 175.76 1qpq h VAL 1182N 2.90 1.25 -0.51 4.45 2.07 -1.92 -0.96 116.25 123.53 1qpq h VAL 1182Ca -0.32 -0.77 -0.05 0.00 0.82 0.00 0.00 66.70 66.38 1qpq h VAL 1182Cb 1.21 1.71 -0.02 0.00 -1.52 0.00 0.00 31.29 32.68 1qpq h VAL 1182CO 0.46 0.21 0.10 0.58 0.02 0.00 0.00 177.57 178.94 1qpq h VAL 1183N -0.25 1.22 0.39 2.57 2.07 -1.95 -2.17 116.25 118.13 1qpq h VAL 1183Ca 0.01 -0.83 -0.01 0.00 0.82 0.00 0.00 66.70 66.69 1qpq h VAL 1183Cb 0.33 0.72 -0.00 0.00 -1.52 0.00 0.00 31.29 30.82 1qpq h VAL 1183CO 0.00 0.30 -0.24 0.44 0.02 0.00 0.00 177.57 178.09 1qpq h ASP 1184N 0.76 -0.60 -0.80 0.57 3.32 -1.83 -2.59 116.42 115.25 1qpq h ASP 1184Ca 0.17 0.04 0.11 0.00 0.02 0.00 0.00 57.03 57.37 1qpq h ASP 1184Cb 0.31 0.18 -0.08 0.00 0.22 0.00 0.00 39.33 39.96 1qpq h ASP 1184CO 0.00 -0.38 0.42 0.00 -1.72 0.00 0.00 179.24 177.56 1qpq h ALA 1185N -0.03 1.16 -0.43 3.45 0.00 -1.00 -2.68 119.26 119.73 1qpq h ALA 1185Ca -0.04 0.06 -0.00 0.00 0.00 0.00 0.00 54.91 54.92 1qpq h ALA 1185Cb 0.50 -0.06 -0.02 0.00 0.00 0.00 0.00 17.79 18.21 1qpq h ALA 1185CO 0.04 -0.02 0.25 1.25 0.00 0.00 0.00 179.25 180.78 1qpq h LEU 1186N 0.67 0.53 -0.38 0.00 6.46 -1.20 -2.53 115.31 118.86 1qpq h LEU 1186Ca 0.41 -0.07 -0.01 0.00 -0.12 0.00 0.00 57.88 58.09 1qpq h LEU 1186Cb 0.48 -0.13 -0.02 0.00 -0.73 0.00 0.00 40.66 40.26 1qpq h LEU 1186CO -0.30 0.44 0.21 0.03 -0.62 0.00 0.00 178.44 178.20 1qpq h ARG 1187N 0.57 0.54 -0.65 1.25 2.47 -1.15 -1.90 114.38 115.50 1qpq h ARG 1187Ca 0.15 -0.06 0.09 0.00 -1.26 0.00 0.00 59.98 58.90 1qpq h ARG 1187Cb 0.02 -0.11 -0.07 0.00 -1.65 0.00 0.00 29.97 28.17 1qpq h ARG 1187CO -0.03 0.44 0.28 0.00 0.56 0.00 0.00 179.97 181.22 1qpq h ALA 1188N 1.07 0.87 -0.31 0.04 0.00 -1.25 -0.41 119.26 119.28 1qpq h ALA 1188Ca 0.14 0.07 -0.17 0.00 0.00 0.00 0.00 54.91 54.94 1qpq h ALA 1188Cb 0.06 0.01 -0.00 0.00 0.00 0.00 0.00 17.79 17.86 1qpq h ALA 1188CO -0.02 -0.13 -0.50 0.28 0.00 0.00 0.00 179.25 178.88 1qpq h VAL 1189N 0.49 1.28 -1.01 0.00 2.07 -1.38 -1.68 116.25 116.01 1qpq h VAL 1189Ca 0.33 -1.68 0.06 0.00 0.82 0.00 0.00 66.70 66.23 1qpq h VAL 1189Cb 0.38 1.56 -0.07 0.00 -1.52 0.00 0.00 31.29 31.64 1qpq h VAL 1189CO -0.29 0.55 0.65 0.03 0.02 0.00 0.00 177.57 178.53 1qpq h ARG 1190N 0.67 1.16 -0.16 1.57 2.47 -0.52 0.30 114.38 119.86 1qpq h ARG 1190Ca 0.03 -0.07 -0.06 0.00 -1.26 0.00 0.00 59.98 58.62 1qpq h ARG 1190Cb 1.09 -0.26 -0.00 0.00 -1.65 0.00 0.00 29.97 29.15 1qpq h ARG 1190CO 0.11 0.77 -0.15 -0.91 0.56 0.00 0.00 179.97 180.35 1qpq h ASN 1191N 1.19 0.41 -0.20 7.04 2.35 -0.99 -2.55 115.58 122.83 1qpq h ASN 1191Ca 0.43 -0.47 -0.13 0.00 -0.55 0.00 0.00 56.30 55.59 1qpq h ASN 1191Cb 0.15 -0.11 0.00 0.00 0.05 0.00 0.00 38.32 38.41 1qpq h ASN 1191CO -0.17 0.79 -0.37 0.00 -1.65 0.00 0.00 177.43 176.04 1qpq h ALA 1192N 0.63 0.31 -2.11 -0.83 0.00 -0.80 -3.39 119.26 113.07 1qpq h ALA 1192Ca 0.03 -0.44 -0.57 0.00 0.00 0.00 0.00 54.91 53.93 1qpq h ALA 1192Cb 0.67 -0.05 -0.39 0.00 0.00 0.00 0.00 17.79 18.02 1qpq h ALA 1192CO 0.04 0.39 -1.00 0.00 0.00 0.00 0.00 179.25 178.67 1qpq n ALA 1193N -2.51 2.76 0.29 0.00 0.00 1.00 -4.96 120.51 117.08 1qpq n ALA 1193Ca -0.06 -3.60 0.16 0.00 0.00 0.00 0.00 53.44 49.94 1qpq n ALA 1193Cb 0.52 -0.82 0.75 0.00 0.00 0.00 0.00 19.45 19.89 1qpq n ALA 1193CO 0.00 0.00 0.00 -1.00 0.00 0.00 0.00 177.50 176.50 1qpq h PRO 1194N 4.28 0.00 0.00 0.00 0.13 -1.60 -2.20 132.00 132.61 1qpq h PRO 1194Ca 0.12 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.25 1qpq h PRO 1194Cb 0.85 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.98 1qpq h PRO 1194CO 0.51 0.00 -0.99 -0.40 -0.23 0.00 0.00 178.00 176.90 1qpq n ASP 1195N -2.63 0.68 -4.83 1.44 5.75 -1.26 -4.96 116.55 110.74 1qpq n ASP 1195Ca -0.01 0.08 -0.36 0.00 -0.01 0.00 0.00 54.79 54.50 1qpq n ASP 1195Cb 0.15 0.59 -0.06 0.00 -1.03 0.00 0.00 41.12 40.77 1qpq n ASP 1195CO 0.00 0.00 0.00 -0.22 -0.11 0.00 0.00 177.20 176.87 1qpq s LEU 1196N -4.56 4.32 0.32 -2.12 2.96 -0.83 -5.04 118.68 113.72 1qpq s LEU 1196Ca 0.02 1.31 -0.29 0.00 -0.22 0.00 0.00 54.13 54.96 1qpq s LEU 1196Cb 0.12 -3.54 -0.10 0.00 0.50 0.00 0.00 46.19 43.17 1qpq s LEU 1196CO 0.78 0.03 1.32 -2.84 -1.32 0.00 0.00 176.35 174.33 1qpq s PRO 1197N -2.06 4.34 -0.07 0.98 0.02 -1.26 -4.86 135.00 132.10 1qpq s PRO 1197Ca 0.43 2.23 0.03 0.00 0.02 0.00 0.00 61.00 63.70 1qpq s PRO 1197Cb -0.16 -3.08 0.01 0.00 0.02 0.00 0.00 34.50 31.29 1qpq s PRO 1197CO 0.20 -0.21 -0.16 0.00 -0.33 0.00 0.00 177.00 176.49 1qpq s GLU 1199N 0.41 1.61 -0.08 0.00 8.01 -0.93 -1.82 118.70 125.91 1qpq s GLU 1199Ca -0.13 -0.64 0.04 0.00 0.01 0.00 0.00 54.97 54.25 1qpq s GLU 1199Cb -0.15 -1.49 0.00 0.00 -4.31 0.00 0.00 34.13 28.18 1qpq s GLU 1199CO 0.05 0.34 -0.21 0.54 0.01 0.00 0.00 175.26 175.99 1qpq s VAL 1200N -0.26 1.78 -0.18 2.63 0.11 0.29 -1.04 120.40 123.72 1qpq s VAL 1200Ca 0.03 -0.87 -0.18 0.00 -2.93 0.00 0.00 61.98 58.03 1qpq s VAL 1200Cb -0.09 -1.54 -0.04 0.00 -1.53 0.00 0.00 36.38 33.19 1qpq s VAL 1200CO 0.00 0.50 0.48 -0.70 -3.33 0.00 0.00 175.10 172.06 1qpq s GLU 1201N 0.27 4.22 -0.02 1.54 2.12 -0.22 -0.37 118.70 126.24 1qpq s GLU 1201Ca -0.13 0.37 0.08 0.00 0.36 0.00 0.00 54.97 55.65 1qpq s GLU 1201Cb -0.16 -3.53 -0.02 0.00 0.26 0.00 0.00 34.13 30.68 1qpq s GLU 1201CO 0.06 -0.06 -0.25 0.14 -0.54 0.00 0.00 175.26 174.61 1qpq s VAL 1202N 1.35 1.97 -0.42 3.70 -7.23 -0.38 -4.73 120.40 114.67 1qpq s VAL 1202Ca 0.23 -1.07 0.11 0.00 -1.81 0.00 0.00 61.98 59.44 1qpq s VAL 1202Cb -0.15 -1.63 0.31 0.00 0.56 0.00 0.00 36.38 35.46 1qpq s VAL 1202CO 0.09 0.55 1.24 -0.90 -0.31 0.00 0.00 175.10 175.77 1qpq n ASP 1203N 2.44 2.94 -3.58 4.85 5.68 -1.26 -1.31 116.55 126.31 1qpq n ASP 1203Ca -0.16 -2.44 -0.14 0.00 -0.50 0.00 0.00 54.79 51.55 1qpq n ASP 1203Cb 0.51 -0.30 -0.05 0.00 -1.14 0.00 0.00 41.12 40.14 1qpq n ASP 1203CO 0.00 0.00 0.00 -0.94 -1.33 0.00 0.00 177.20 174.93 1qpq s SER 1204N -1.53 -0.43 0.59 -1.12 1.04 -1.26 -4.91 113.70 106.08 1qpq s SER 1204Ca 0.25 0.17 0.35 0.00 0.48 0.00 0.00 55.95 57.20 1qpq s SER 1204Cb 0.18 0.49 1.86 0.00 0.10 0.00 0.00 66.02 68.65 1qpq s SER 1204CO 0.09 -0.71 2.20 -0.07 0.98 0.00 0.00 173.24 175.72 1qpq h LEU 1205N 2.80 0.00 0.30 2.42 3.38 -1.96 -1.57 115.31 120.68 1qpq h LEU 1205Ca -0.31 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 57.65 1qpq h LEU 1205Cb 1.21 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.96 1qpq h LEU 1205CO 0.41 0.04 -0.14 -0.33 0.09 0.00 0.00 178.44 178.51 1qpq h GLU 1206N 0.00 -0.39 -0.88 1.13 3.07 -2.00 -1.26 114.58 114.25 1qpq h GLU 1206Ca -0.00 0.03 0.05 0.00 -0.50 0.00 0.00 59.36 58.93 1qpq h GLU 1206Cb 0.19 0.09 -0.06 0.00 -0.84 0.00 0.00 28.75 28.13 1qpq h GLU 1206CO 0.00 -0.05 0.56 1.96 -1.40 0.00 0.00 179.01 180.08 1qpq h GLN 1207N -0.81 1.03 -0.50 2.33 4.20 -1.90 -1.21 115.11 118.25 1qpq h GLN 1207Ca -0.04 -0.06 0.08 0.00 0.06 0.00 0.00 58.65 58.68 1qpq h GLN 1207Cb 0.51 -0.23 -0.06 0.00 0.30 0.00 0.00 27.48 28.00 1qpq h GLN 1207CO 0.07 0.68 0.15 1.25 -0.67 0.00 0.00 178.83 180.31 1qpq h LEU 1208N 1.06 0.11 -1.07 1.46 5.85 -1.12 -1.37 115.31 120.23 1qpq h LEU 1208Ca 0.37 0.07 0.01 0.00 0.84 0.00 0.00 57.88 59.17 1qpq h LEU 1208Cb 0.09 0.07 -0.05 0.00 0.37 0.00 0.00 40.66 41.15 1qpq h LEU 1208CO -0.15 0.09 0.62 0.44 -0.34 0.00 0.00 178.44 179.11 1qpq h ASP 1209N 0.31 1.09 -0.21 1.25 3.32 -0.03 -0.93 116.42 121.21 1qpq h ASP 1209Ca 0.25 -0.03 -0.08 0.00 0.02 0.00 0.00 57.03 57.18 1qpq h ASP 1209Cb 0.29 -0.27 -0.02 0.00 0.22 0.00 0.00 39.33 39.55 1qpq h ASP 1209CO -0.28 0.79 -0.13 0.00 -1.72 0.00 0.00 179.24 177.91 1qpq h ALA 1210N 1.41 1.13 0.00 3.45 0.00 -0.72 -3.27 119.26 121.25 1qpq h ALA 1210Ca 0.35 -0.30 -0.08 0.00 0.00 0.00 0.00 54.91 54.88 1qpq h ALA 1210Cb -0.14 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 17.48 1qpq h ALA 1210CO -0.07 0.55 -1.62 1.33 0.00 0.00 0.00 179.25 179.43 1qpq n VAL 1211N -4.18 0.61 -0.20 0.00 0.24 -0.65 -4.40 118.33 109.75 1qpq n VAL 1211Ca 0.01 -0.60 0.01 0.00 -2.04 0.00 0.00 64.34 61.71 1qpq n VAL 1211Cb 0.35 -0.32 0.09 0.00 -1.47 0.00 0.00 33.84 32.49 1qpq n VAL 1211CO 0.00 0.00 0.00 -0.07 -2.14 0.00 0.00 176.83 174.62 1qpq h LEU 1212N 0.00 -0.29 -2.17 1.34 3.38 -1.22 -0.69 115.31 115.66 1qpq h LEU 1212Ca -0.10 0.15 -0.01 0.00 0.09 0.00 0.00 57.88 58.01 1qpq h LEU 1212Cb 1.28 0.27 -0.00 0.00 0.09 0.00 0.00 40.66 42.30 1qpq h LEU 1212CO 0.01 -0.12 -0.06 1.55 0.09 0.00 0.00 178.44 179.92 1qpq h PRO 1213N 0.11 0.00 0.00 1.13 0.13 -1.77 -1.70 132.00 129.90 1qpq h PRO 1213Ca 0.31 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.44 1qpq h PRO 1213Cb 0.51 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.64 1qpq h PRO 1213CO -0.53 0.06 0.00 0.39 -0.23 0.00 0.00 178.00 177.69 1qpq n GLU 1214N -3.90 0.06 -3.61 0.86 -0.58 -0.27 -4.94 120.64 108.27 1qpq n GLU 1214Ca -0.03 0.24 -0.26 0.00 -0.42 0.00 0.00 57.16 56.70 1qpq n GLU 1214Cb 0.15 -1.60 0.04 0.00 -0.57 0.00 0.00 31.44 29.46 1qpq n GLU 1214CO 0.00 0.00 0.00 1.63 -0.48 0.00 0.00 177.13 178.28 1qpq n LYS 1215N -1.71 -2.32 -1.34 3.49 5.02 -0.64 -4.99 118.16 115.66 1qpq n LYS 1215Ca 0.04 0.57 -0.30 0.00 -2.02 0.00 0.00 58.31 56.60 1qpq n LYS 1215Cb 0.23 -4.72 0.10 0.00 -0.02 0.00 0.00 35.03 30.62 1qpq n LYS 1215CO 0.00 0.00 0.00 -1.25 -0.52 0.00 0.00 177.40 175.63 1qpq s PRO 1216N -5.68 2.04 0.15 1.97 0.04 -1.26 -4.97 135.00 127.30 1qpq s PRO 1216Ca 0.35 0.94 -0.15 0.00 0.04 0.00 0.00 61.00 62.18 1qpq s PRO 1216Cb -0.10 -1.89 0.03 0.00 0.04 0.00 0.00 34.50 32.58 1qpq s PRO 1216CO 0.83 -1.73 1.77 0.93 0.04 0.00 0.00 177.00 178.83 1qpq h GLU 1217N -1.18 0.63 -3.67 4.56 3.07 -1.77 -3.41 114.58 112.81 1qpq h GLU 1217Ca -0.46 -0.07 -0.14 0.00 -0.50 0.00 0.00 59.36 58.19 1qpq h GLU 1217Cb 1.25 -0.13 -0.20 0.00 -0.84 0.00 0.00 28.75 28.84 1qpq h GLU 1217CO 0.54 0.49 -0.53 -0.51 -1.40 0.00 0.00 179.01 177.61 1qpq s LEU 1218N -9.99 1.73 -0.07 1.33 1.43 -0.75 -1.96 118.68 110.40 1qpq s LEU 1218Ca -0.13 -0.34 0.04 0.00 -1.03 0.00 0.00 54.13 52.66 1qpq s LEU 1218Cb 0.11 0.56 0.00 0.00 0.03 0.00 0.00 46.19 46.90 1qpq s LEU 1218CO 0.75 -0.40 -0.18 -0.63 0.23 0.00 0.00 176.35 176.12 1qpq s ILE 1219N -1.73 1.58 -0.33 -0.59 1.01 -0.20 -0.55 121.20 120.40 1qpq s ILE 1219Ca -0.12 -0.76 -0.10 0.00 0.00 0.00 0.00 60.65 59.66 1qpq s ILE 1219Cb -0.06 -1.38 0.00 0.00 0.01 0.00 0.00 42.46 41.03 1qpq s ILE 1219CO -0.00 0.45 0.18 -0.22 0.00 0.00 0.00 174.94 175.34 1qpq s LEU 1220N 0.33 4.30 -0.76 2.97 0.20 0.50 -1.29 118.68 124.94 1qpq s LEU 1220Ca -0.12 -0.63 -0.27 0.00 0.69 0.00 0.00 54.13 53.81 1qpq s LEU 1220Cb -0.15 -2.02 0.03 0.00 -0.43 0.00 0.00 46.19 43.62 1qpq s LEU 1220CO 0.05 -0.25 1.29 -0.76 -0.29 0.00 0.00 176.35 176.39 1qpq s LEU 1221N 1.61 3.23 -0.58 -0.68 1.43 0.10 -1.24 118.68 122.55 1qpq s LEU 1221Ca 0.04 -0.55 -0.26 0.00 -1.03 0.00 0.00 54.13 52.32 1qpq s LEU 1221Cb -0.18 -2.56 0.04 0.00 0.03 0.00 0.00 46.19 43.52 1qpq s LEU 1221CO 0.07 -1.80 1.09 -0.62 0.23 0.00 0.00 176.35 175.31 1qpq s ASP 1222N 3.85 6.39 -1.18 2.29 2.15 -0.43 -1.64 116.67 128.09 1qpq s ASP 1222Ca 0.36 -0.13 -0.03 0.00 0.43 0.00 0.00 52.55 53.18 1qpq s ASP 1222Cb -0.08 -2.50 0.00 0.00 -0.30 0.00 0.00 42.92 40.05 1qpq s ASP 1222CO 0.13 -1.39 1.00 0.59 -0.17 0.00 0.00 175.17 175.33 1qpq n ASN 1223N 8.05 -3.50 -4.83 -0.34 3.02 0.10 -4.60 115.26 113.16 1qpq n ASN 1223Ca 0.05 -0.56 -0.36 0.00 -0.03 0.00 0.00 54.58 53.69 1qpq n ASN 1223Cb 0.48 -4.83 -0.06 0.00 -0.61 0.00 0.00 39.78 34.77 1qpq n ASN 1223CO 0.00 0.00 0.00 -0.36 -2.62 0.00 0.00 177.26 174.28 1qpq s PHE 1224N -3.33 3.65 0.68 3.10 0.40 -1.26 -4.85 117.98 116.37 1qpq s PHE 1224Ca 0.20 1.17 -0.14 0.00 -0.60 0.00 0.00 56.93 57.56 1qpq s PHE 1224Cb -0.09 -2.44 0.01 0.00 0.51 0.00 0.00 43.02 41.01 1qpq s PHE 1224CO 0.69 0.43 1.10 0.00 0.70 0.00 0.00 175.22 178.14 1qpq s ALA 1225N -1.42 2.46 0.34 5.36 0.00 -1.26 -4.78 121.76 122.46 1qpq s ALA 1225Ca 0.38 0.44 0.06 0.00 0.00 0.00 0.00 51.96 52.84 1qpq s ALA 1225Cb -0.16 -3.29 0.74 0.00 0.00 0.00 0.00 23.12 20.41 1qpq s ALA 1225CO 0.19 -1.34 1.88 0.28 0.00 0.00 0.00 175.76 176.78 1qpq h VAL 1226N -0.24 0.90 -0.23 0.00 2.07 -1.97 -0.21 116.25 116.57 1qpq h VAL 1226Ca -0.46 -0.27 -0.08 0.00 0.82 0.00 0.00 66.70 66.71 1qpq h VAL 1226Cb 1.24 0.05 -0.01 0.00 -1.52 0.00 0.00 31.29 31.04 1qpq h VAL 1226CO 0.54 0.14 -0.22 4.11 0.02 0.00 0.00 177.57 182.16 1qpq h TRP 1227N 0.78 0.47 -0.01 1.57 5.08 -1.99 -1.28 115.95 120.57 1qpq h TRP 1227Ca 0.43 -0.09 -0.16 0.00 1.08 0.00 0.00 58.89 60.14 1qpq h TRP 1227Cb 0.56 -0.12 -0.02 0.00 -3.00 0.00 0.00 29.16 26.58 1qpq h TRP 1227CO -0.00 0.62 -0.74 1.96 -1.28 0.00 0.00 178.44 179.00 1qpq h GLN 1228N 0.39 0.11 -0.48 0.12 4.20 -1.55 -2.19 115.11 115.71 1qpq h GLN 1228Ca 0.06 -0.10 -0.13 0.00 0.06 0.00 0.00 58.65 58.54 1qpq h GLN 1228Cb 0.60 0.02 -0.01 0.00 0.30 0.00 0.00 27.48 28.39 1qpq h GLN 1228CO 0.04 0.80 -0.20 1.15 -0.67 0.00 0.00 178.83 179.95 1qpq h THR 1229N 0.07 1.27 -0.56 -0.54 2.02 -0.48 -0.99 112.91 113.70 1qpq h THR 1229Ca -0.02 -1.36 -0.03 0.00 0.77 0.00 0.00 66.41 65.77 1qpq h THR 1229Cb 1.30 1.11 -0.02 0.00 -1.74 0.00 0.00 68.15 68.80 1qpq h THR 1229CO 0.11 0.47 0.22 -0.61 0.37 0.00 0.00 175.52 176.08 1qpq h GLN 1230N 0.84 0.84 0.29 6.66 5.75 -1.08 -0.82 115.11 127.59 1qpq h GLN 1230Ca 0.11 -0.15 -0.01 0.00 -0.15 0.00 0.00 58.65 58.44 1qpq h GLN 1230Cb 0.77 -0.13 0.00 0.00 1.07 0.00 0.00 27.48 29.19 1qpq h GLN 1230CO 0.06 0.73 -0.14 1.15 -2.65 0.00 0.00 178.83 177.98 1qpq h THR 1231N 0.76 0.73 -0.64 2.39 2.02 -1.22 -1.60 112.91 115.35 1qpq h THR 1231Ca 0.19 -0.08 0.14 0.00 0.77 0.00 0.00 66.41 67.42 1qpq h THR 1231Cb 0.20 0.77 -0.11 0.00 -1.74 0.00 0.00 68.15 67.28 1qpq h THR 1231CO -0.01 0.02 0.02 0.00 0.37 0.00 0.00 175.52 175.92 1qpq h ALA 1232N 0.27 0.66 -0.72 6.16 0.00 -0.99 0.33 119.26 124.97 1qpq h ALA 1232Ca -0.04 0.19 -0.05 0.00 0.00 0.00 0.00 54.91 55.01 1qpq h ALA 1232Cb 0.33 0.32 -0.03 0.00 0.00 0.00 0.00 17.79 18.41 1qpq h ALA 1232CO 0.07 -0.39 0.25 0.28 0.00 0.00 0.00 179.25 179.46 1qpq h VAL 1233N 0.14 1.25 -0.40 0.00 2.07 -0.98 0.14 116.25 118.47 1qpq h VAL 1233Ca 0.34 -0.85 -0.06 0.00 0.82 0.00 0.00 66.70 66.96 1qpq h VAL 1233Cb 0.56 0.43 -0.01 0.00 -1.52 0.00 0.00 31.29 30.75 1qpq h VAL 1233CO -0.54 0.34 0.01 1.56 0.02 0.00 0.00 177.57 178.96 1qpq h GLN 1234N 1.06 0.69 -0.54 1.57 4.20 -0.01 0.56 115.11 122.64 1qpq h GLN 1234Ca 0.24 -0.22 -0.11 0.00 0.06 0.00 0.00 58.65 58.62 1qpq h GLN 1234Cb 0.26 -0.07 -0.02 0.00 0.30 0.00 0.00 27.48 27.96 1qpq h GLN 1234CO -0.01 0.78 -0.10 0.00 -0.67 0.00 0.00 178.83 178.83 1qpq h ARG 1235N 0.52 1.03 -0.17 1.46 3.08 -0.10 -2.33 114.38 117.87 1qpq h ARG 1235Ca 0.11 -0.38 -0.00 0.00 0.07 0.00 0.00 59.98 59.78 1qpq h ARG 1235Cb 0.46 -0.07 -0.01 0.00 0.08 0.00 0.00 29.97 30.44 1qpq h ARG 1235CO 0.02 1.07 0.09 -0.09 -1.07 0.00 0.00 179.97 179.99 1qpq h ARG 1236N 0.91 0.24 -0.11 0.04 1.12 -0.59 0.99 114.38 116.98 1qpq h ARG 1236Ca 0.14 -0.03 0.03 0.00 -1.11 0.00 0.00 59.98 59.02 1qpq h ARG 1236Cb 0.67 -0.05 -0.00 0.00 -0.01 0.00 0.00 29.97 30.58 1qpq h ARG 1236CO 0.05 0.24 0.08 -0.44 -3.11 0.00 0.00 179.97 176.78 1qpq h ASP 1237N 0.18 0.00 0.24 -3.80 3.32 -0.74 0.12 116.42 115.73 1qpq h ASP 1237Ca 0.06 0.00 -0.31 0.00 0.02 0.00 0.00 57.03 56.80 1qpq h ASP 1237Cb 0.07 0.00 -0.06 0.00 0.22 0.00 0.00 39.33 39.56 1qpq h ASP 1237CO -0.01 0.00 -2.04 -1.54 -1.72 0.00 0.00 179.24 173.93 1qpq n SER 1238N -4.46 0.41 -0.12 6.45 3.41 -0.89 -4.53 113.62 113.89 1qpq n SER 1238Ca -0.00 0.19 -0.15 0.00 -0.26 0.00 0.00 58.87 58.64 1qpq n SER 1238Cb 0.20 0.55 -0.13 0.00 -0.26 0.00 0.00 64.21 64.57 1qpq n SER 1238CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 175.04 175.42 1qpq n ARG 1239N -2.86 0.67 -3.05 4.33 1.74 0.30 -4.86 116.66 112.94 1qpq n ARG 1239Ca -0.24 0.10 -0.18 0.00 -0.77 0.00 0.00 57.85 56.77 1qpq n ARG 1239Cb 1.07 -1.51 -0.03 0.00 -1.02 0.00 0.00 32.46 30.98 1qpq n ARG 1239CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1qpq n ALA 1240N -3.10 0.98 -0.47 7.54 0.00 0.39 -4.95 120.51 120.89 1qpq n ALA 1240Ca -0.41 -2.58 0.41 0.00 0.00 0.00 0.00 53.44 50.86 1qpq n ALA 1240Cb 1.02 -1.02 0.75 0.00 0.00 0.00 0.00 19.45 20.21 1qpq n ALA 1240CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 177.50 176.15 1qpq h PRO 1241N 4.27 0.03 0.00 0.00 0.11 -1.75 -0.62 132.00 134.04 1qpq h PRO 1241Ca 0.03 -0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.13 1qpq h PRO 1241Cb 0.95 -0.01 0.00 0.00 0.11 0.00 0.00 31.00 32.05 1qpq h PRO 1241CO 0.38 0.02 -0.12 0.25 -0.21 0.00 0.00 178.00 178.32 1qpq n THR 1242N -4.18 0.29 -2.69 -1.15 -2.24 -1.26 -4.84 114.28 98.21 1qpq n THR 1242Ca 0.33 -0.15 -0.41 0.00 -2.27 0.00 0.00 64.05 61.55 1qpq n THR 1242Cb 1.51 -0.43 -0.05 0.00 -2.10 0.00 0.00 70.33 69.26 1qpq n THR 1242CO 0.00 0.00 0.00 -0.69 -0.57 0.00 0.00 175.07 173.81 1qpq s VAL 1243N -3.06 4.24 -0.09 2.28 1.01 -0.24 -4.95 120.40 119.58 1qpq s VAL 1243Ca 0.11 1.99 -0.06 0.00 0.00 0.00 0.00 61.98 64.03 1qpq s VAL 1243Cb 0.15 -4.27 -0.04 0.00 0.00 0.00 0.00 36.38 32.23 1qpq s VAL 1243CO 0.60 0.37 0.14 -0.04 0.00 0.00 0.00 175.10 176.17 1qpq s MET 1244N -0.47 3.41 -0.10 2.72 -1.94 -0.83 -4.99 119.30 117.10 1qpq s MET 1244Ca 0.45 -0.19 -0.03 0.00 -1.71 0.00 0.00 55.69 54.21 1qpq s MET 1244Cb -0.25 -3.14 -0.03 0.00 2.01 0.00 0.00 34.83 33.41 1qpq s MET 1244CO 0.32 0.75 0.01 -0.51 -0.01 0.00 0.00 175.02 175.58 1qpq s LEU 1245N -1.24 3.64 -0.06 -0.03 1.02 -1.26 -1.03 118.68 119.72 1qpq s LEU 1245Ca 0.18 0.15 -0.00 0.00 0.02 0.00 0.00 54.13 54.48 1qpq s LEU 1245Cb -0.12 -1.84 0.03 0.00 0.02 0.00 0.00 46.19 44.27 1qpq s LEU 1245CO 0.07 0.36 -0.02 -0.70 0.02 0.00 0.00 176.35 176.09 1qpq s GLU 1246N -0.75 0.66 -0.02 1.70 2.12 -0.41 -1.30 118.70 120.70 1qpq s GLU 1246Ca 0.12 0.03 -0.22 0.00 0.36 0.00 0.00 54.97 55.25 1qpq s GLU 1246Cb -0.12 -0.87 -0.05 0.00 0.26 0.00 0.00 34.13 33.35 1qpq s GLU 1246CO 0.02 -0.21 0.65 -1.12 -0.54 0.00 0.00 175.26 174.07 1qpq s SER 1247N 1.49 7.01 -0.11 -1.70 0.01 -0.49 0.00 113.70 119.92 1qpq s SER 1247Ca -0.02 1.21 -0.08 0.00 1.31 0.00 0.00 55.95 58.36 1qpq s SER 1247Cb -0.13 -2.39 0.04 0.00 0.21 0.00 0.00 66.02 63.74 1qpq s SER 1247CO -0.03 0.02 0.28 -0.55 0.41 0.00 0.00 173.24 173.37 1qpq s SER 1248N 0.15 -0.31 0.00 2.44 0.15 -0.65 -0.94 113.70 114.54 1qpq s SER 1248Ca 0.34 0.59 0.00 0.00 0.70 0.00 0.00 55.95 57.58 1qpq s SER 1248Cb -0.18 0.55 0.00 0.00 -1.71 0.00 0.00 66.02 64.67 1qpq s SER 1248CO 0.18 -0.13 0.00 0.61 1.20 0.00 0.00 173.24 175.10 1qpq n GLY 1249N 3.46 0.56 2.23 9.45 0.00 -1.26 0.02 105.19 119.66 1qpq n GLY 1249Ca -0.18 -0.55 -0.27 0.00 0.00 0.00 0.00 46.02 45.02 1qpq n GLY 1249CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1qpq n GLY 1250N 0.00 3.89 3.84 -0.02 0.00 -1.26 -4.90 105.19 106.73 1qpq n GLY 1250Ca 0.00 -1.49 -0.38 0.00 0.00 0.00 0.00 46.02 44.15 1qpq n GLY 1250CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1qpq s LEU 1251N -0.42 4.44 0.06 0.99 1.02 -1.26 -5.04 118.68 118.47 1qpq s LEU 1251Ca 0.66 0.80 0.00 0.00 0.02 0.00 0.00 54.13 55.61 1qpq s LEU 1251Cb 0.26 -2.43 -0.04 0.00 0.02 0.00 0.00 46.19 44.00 1qpq s LEU 1251CO -0.06 0.34 -0.05 -0.94 0.02 0.00 0.00 176.35 175.66 1qpq s SER 1252N -0.97 0.72 0.52 2.29 1.04 -1.26 -5.03 113.70 111.00 1qpq s SER 1252Ca 0.21 -0.89 0.26 0.00 0.48 0.00 0.00 55.95 56.00 1qpq s SER 1252Cb -0.15 0.13 1.43 0.00 0.10 0.00 0.00 66.02 67.53 1qpq s SER 1252CO 0.10 -0.48 2.08 0.25 0.98 0.00 0.00 173.24 176.18 1qpq h LEU 1253N 3.41 0.00 -0.36 2.42 5.85 -2.00 0.94 115.31 125.57 1qpq h LEU 1253Ca -0.34 0.00 -0.14 0.00 0.84 0.00 0.00 57.88 58.24 1qpq h LEU 1253Cb 1.16 0.00 -0.02 0.00 0.37 0.00 0.00 40.66 42.17 1qpq h LEU 1253CO 0.60 0.12 -0.65 1.56 -0.34 0.00 0.00 178.44 179.73 1qpq h GLN 1254N 0.00 0.00 0.00 1.25 1.08 -2.02 -3.27 115.11 112.16 1qpq h GLN 1254Ca -0.00 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.20 1qpq h GLN 1254Cb 0.30 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 27.73 1qpq h GLN 1254CO 0.02 0.65 -1.13 0.25 -0.95 0.00 0.00 178.83 177.66 1qpq n THR 1255N -3.44 0.02 -0.25 -0.54 -2.24 -0.70 -4.67 114.28 102.46 1qpq n THR 1255Ca 0.00 -0.10 -0.01 0.00 -2.27 0.00 0.00 64.05 61.67 1qpq n THR 1255Cb 0.72 0.71 0.05 0.00 -2.10 0.00 0.00 70.33 69.72 1qpq n THR 1255CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1qpq h ALA 1256N 2.80 0.27 -0.18 6.98 0.00 -0.90 -0.96 119.26 127.27 1qpq h ALA 1256Ca 0.00 0.24 -0.05 0.00 0.00 0.00 0.00 54.91 55.10 1qpq h ALA 1256Cb 0.60 0.68 -0.01 0.00 0.00 0.00 0.00 17.79 19.06 1qpq h ALA 1256CO 0.00 -0.52 -0.13 0.00 0.00 0.00 0.00 179.25 178.59 1qpq h ALA 1257N 1.44 1.44 -0.77 0.00 0.00 -1.83 -0.73 119.26 118.82 1qpq h ALA 1257Ca 0.31 -0.22 -0.04 0.00 0.00 0.00 0.00 54.91 54.95 1qpq h ALA 1257Cb 0.55 -0.10 -0.03 0.00 0.00 0.00 0.00 17.79 18.21 1qpq h ALA 1257CO -0.75 0.39 0.31 1.15 0.00 0.00 0.00 179.25 180.35 1qpq h THR 1258N 0.27 1.26 -0.19 0.00 2.02 -1.50 0.28 112.91 115.06 1qpq h THR 1258Ca 0.05 -0.81 -0.14 0.00 0.77 0.00 0.00 66.41 66.29 1qpq h THR 1258Cb 0.41 0.33 0.00 0.00 -1.74 0.00 0.00 68.15 67.15 1qpq h THR 1258CO 0.02 0.33 -0.41 1.88 0.37 0.00 0.00 175.52 177.71 1qpq h TYR 1259N 1.13 0.78 -0.90 3.16 0.05 -1.16 -3.23 116.97 116.78 1qpq h TYR 1259Ca 0.26 -0.29 0.03 0.00 0.05 0.00 0.00 58.73 58.78 1qpq h TYR 1259Cb 0.21 -0.14 -0.05 0.00 1.01 0.00 0.00 36.73 37.76 1qpq h TYR 1259CO 0.02 1.05 0.59 0.00 -1.05 0.00 0.00 178.16 178.76 1qpq h ALA 1260N 0.58 1.18 0.00 3.88 0.00 -0.37 -1.60 119.26 122.93 1qpq h ALA 1260Ca 0.00 -0.04 -0.01 0.00 0.00 0.00 0.00 54.91 54.86 1qpq h ALA 1260Cb 1.02 -0.32 -0.00 0.00 0.00 0.00 0.00 17.79 18.49 1qpq h ALA 1260CO 0.09 0.46 -0.04 0.93 0.00 0.00 0.00 179.25 180.69 1qpq h GLU 1261N 1.15 0.00 0.00 0.00 5.08 -0.49 -1.82 114.58 118.50 1qpq h GLU 1261Ca 0.35 0.00 -0.00 0.00 -1.00 0.00 0.00 59.36 58.71 1qpq h GLU 1261Cb -0.02 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.23 1qpq h GLU 1261CO -0.11 0.04 -0.01 1.79 -1.00 0.00 0.00 179.01 179.72 1qpq h THR 1262N 0.00 0.59 0.00 1.13 1.35 -1.33 -3.46 112.91 111.19 1qpq h THR 1262Ca -0.00 -0.04 0.00 0.00 -0.55 0.00 0.00 66.41 65.82 1qpq h THR 1262Cb 0.11 1.03 0.00 0.00 -1.73 0.00 0.00 68.15 67.56 1qpq h THR 1262CO 0.01 0.01 0.00 0.61 -0.25 0.00 0.00 175.52 175.90 1qpq n GLY 1263N -1.30 0.96 3.61 5.82 0.00 -0.68 -4.87 105.19 108.73 1qpq n GLY 1263Ca -0.03 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.66 1qpq n GLY 1263CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 1qpq n VAL 1264N -0.98 1.48 0.06 1.61 0.24 -1.26 -4.94 118.33 114.55 1qpq n VAL 1264Ca 0.00 -0.21 -0.04 0.00 -2.04 0.00 0.00 64.34 62.05 1qpq n VAL 1264Cb 0.00 -1.02 -0.09 0.00 -1.47 0.00 0.00 33.84 31.26 1qpq n VAL 1264CO 0.00 0.00 0.00 0.44 -2.14 0.00 0.00 176.83 175.13 1qpq h ASP 1265N -1.03 0.00 -5.19 -1.34 3.32 -1.57 -3.37 116.42 107.24 1qpq h ASP 1265Ca -0.45 0.00 -0.08 0.00 0.02 0.00 0.00 57.03 56.51 1qpq h ASP 1265Cb 1.30 0.00 -0.13 0.00 0.22 0.00 0.00 39.33 40.72 1qpq h ASP 1265CO 0.43 0.82 -0.28 -0.31 -1.72 0.00 0.00 179.24 178.18 1qpq s TYR 1266N -2.78 0.20 -0.14 4.55 2.02 -0.94 -2.07 117.35 118.19 1qpq s TYR 1266Ca -0.00 -0.58 -0.01 0.00 -0.37 0.00 0.00 57.07 56.11 1qpq s TYR 1266Cb 0.09 0.01 0.04 0.00 -0.40 0.00 0.00 41.96 41.70 1qpq s TYR 1266CO 0.80 -0.67 -0.03 -0.51 -1.57 0.00 0.00 175.55 173.58 1qpq s LEU 1267N -2.90 1.20 -0.36 -1.29 1.02 -0.48 -1.39 118.68 114.48 1qpq s LEU 1267Ca 0.10 -0.47 -0.18 0.00 0.02 0.00 0.00 54.13 53.60 1qpq s LEU 1267Cb 0.03 -0.73 -0.00 0.00 0.02 0.00 0.00 46.19 45.51 1qpq s LEU 1267CO -0.06 -0.19 0.48 0.00 0.02 0.00 0.00 176.35 176.60 1qpq s ALA 1268N 1.77 3.47 -0.33 4.21 0.00 -0.12 -0.59 121.76 130.17 1qpq s ALA 1268Ca 0.02 -1.10 -0.03 0.00 0.00 0.00 0.00 51.96 50.85 1qpq s ALA 1268Cb -0.14 -2.99 0.06 0.00 0.00 0.00 0.00 23.12 20.05 1qpq s ALA 1268CO -0.07 -1.24 0.07 0.08 0.00 0.00 0.00 175.76 174.60 1qpq s VAL 1269N 2.31 3.30 0.31 0.00 1.01 -0.12 -4.54 120.40 122.67 1qpq s VAL 1269Ca 0.17 -1.43 0.09 0.00 0.00 0.00 0.00 61.98 60.81 1qpq s VAL 1269Cb -0.16 -2.96 0.04 0.00 0.00 0.00 0.00 36.38 33.30 1qpq s VAL 1269CO 0.13 -0.24 1.72 1.23 0.00 0.00 0.00 175.10 177.94 1qpq h GLY 1270N 8.08 0.13 2.00 4.51 0.00 -1.93 -2.75 103.07 113.12 1qpq h GLY 1270Ca -0.20 -0.13 -0.00 0.00 0.00 0.00 0.00 47.33 47.00 1qpq h GLY 1270CO 0.59 0.11 -0.02 0.00 0.00 0.00 0.00 176.54 177.23 1qpq h ALA 1271N 1.45 1.13 -0.49 3.60 0.00 -1.93 -2.34 119.26 120.68 1qpq h ALA 1271Ca 0.01 -0.01 0.12 0.00 0.00 0.00 0.00 54.91 55.02 1qpq h ALA 1271Cb 0.84 -0.00 -0.02 0.00 0.00 0.00 0.00 17.79 18.60 1qpq h ALA 1271CO 0.06 0.02 0.35 -0.07 0.00 0.00 0.00 179.25 179.61 1qpq h LEU 1272N 0.00 0.10 0.00 0.00 4.07 -1.81 -3.30 115.31 114.37 1qpq h LEU 1272Ca -0.00 0.00 -0.10 0.00 0.08 0.00 0.00 57.88 57.87 1qpq h LEU 1272Cb 0.11 -0.02 -0.02 0.00 1.08 0.00 0.00 40.66 41.82 1qpq h LEU 1272CO 0.00 0.06 -1.36 0.35 -1.08 0.00 0.00 178.44 176.41 1qpq n THR 1273N -4.42 0.36 -2.64 0.22 -2.24 -0.93 -4.71 114.28 99.92 1qpq n THR 1273Ca 0.08 -0.18 -0.22 0.00 -2.27 0.00 0.00 64.05 61.46 1qpq n THR 1273Cb 0.49 -0.79 0.04 0.00 -2.10 0.00 0.00 70.33 67.96 1qpq n THR 1273CO 0.00 0.00 0.00 -1.38 -0.57 0.00 0.00 175.07 173.12 1qpq s HIS 1274N -2.13 2.97 -1.39 4.78 -3.43 -0.93 -4.49 115.29 110.68 1qpq s HIS 1274Ca -0.06 0.15 -0.02 0.00 -0.80 0.00 0.00 55.06 54.33 1qpq s HIS 1274Cb 0.02 -2.72 0.02 0.00 -1.43 0.00 0.00 32.58 28.47 1qpq s HIS 1274CO 0.18 -0.83 0.62 0.43 -2.00 0.00 0.00 174.74 173.13 1qpq n SER 1275N -2.38 -1.26 -4.86 7.38 7.64 -1.26 -4.48 113.62 114.41 1qpq n SER 1275Ca 0.06 -0.90 -0.35 0.00 1.01 0.00 0.00 58.87 58.69 1qpq n SER 1275Cb 0.59 -3.59 -0.06 0.00 -1.01 0.00 0.00 64.21 60.15 1qpq n SER 1275CO 0.00 0.00 0.00 0.54 -3.01 0.00 0.00 175.04 172.57 1qpq s VAL 1276N -3.73 5.27 -0.21 0.44 0.11 -1.26 -4.84 120.40 116.18 1qpq s VAL 1276Ca 0.10 -0.03 -0.07 0.00 -2.93 0.00 0.00 61.98 59.05 1qpq s VAL 1276Cb -0.05 -3.36 -0.04 0.00 -1.53 0.00 0.00 36.38 31.41 1qpq s VAL 1276CO 0.85 0.49 0.06 -0.60 -3.33 0.00 0.00 175.10 172.58 1qpq s ARG 1277N -1.39 3.82 0.35 1.54 3.52 -1.26 -5.06 118.95 120.47 1qpq s ARG 1277Ca 0.20 -0.41 -0.28 0.00 -0.13 0.00 0.00 55.73 55.10 1qpq s ARG 1277Cb -0.12 -3.26 -0.11 0.00 -1.56 0.00 0.00 34.95 29.91 1qpq s ARG 1277CO 0.10 0.06 1.36 0.54 -0.81 0.00 0.00 175.30 176.55 1qpq s VAL 1278N 0.96 2.50 -0.32 7.11 0.11 -1.26 -4.23 120.40 125.26 1qpq s VAL 1278Ca 0.04 0.50 -0.28 0.00 -2.93 0.00 0.00 61.98 59.32 1qpq s VAL 1278Cb -0.14 -3.32 0.01 0.00 -1.53 0.00 0.00 36.38 31.40 1qpq s VAL 1278CO 0.03 0.12 1.01 -0.22 -3.33 0.00 0.00 175.10 172.71 1qpq s LEU 1279N -1.89 3.97 -0.23 2.54 2.96 -0.40 -4.84 118.68 120.79 1qpq s LEU 1279Ca 0.50 0.94 -0.29 0.00 -0.22 0.00 0.00 54.13 55.06 1qpq s LEU 1279Cb -0.42 -3.43 -0.03 0.00 0.50 0.00 0.00 46.19 42.81 1qpq s LEU 1279CO 0.56 -0.82 1.74 -0.62 -1.32 0.00 0.00 176.35 175.89 1qpq s ASP 1280N 1.66 6.18 -0.02 3.68 2.15 -1.26 -4.46 116.67 124.60 1qpq s ASP 1280Ca 0.42 1.64 0.02 0.00 0.43 0.00 0.00 52.55 55.06 1qpq s ASP 1280Cb -0.13 -2.53 0.00 0.00 -0.30 0.00 0.00 42.92 39.97 1qpq s ASP 1280CO 0.15 -1.42 -0.09 -0.63 -0.17 0.00 0.00 175.17 173.01 1qpq s ILE 1281N 5.84 0.75 0.28 4.11 1.01 -1.26 0.09 121.20 132.01 1qpq s ILE 1281Ca 0.77 -0.35 0.10 0.00 0.00 0.00 0.00 60.65 61.17 1qpq s ILE 1281Cb -0.26 -0.66 -0.05 0.00 0.01 0.00 0.00 42.46 41.49 1qpq s ILE 1281CO 0.32 0.23 -0.15 -0.83 0.00 0.00 0.00 174.94 174.51 1qpq s GLY 1282N 0.13 1.84 -0.38 6.18 0.00 0.24 -4.92 107.32 110.42 1qpq s GLY 1282Ca -0.02 -1.88 -0.12 0.00 0.00 0.00 0.00 44.72 42.71 1qpq s GLY 1282CO 0.00 -1.92 0.22 -2.27 0.00 0.00 0.00 173.10 169.13 1qpq s LEU 1283N -3.48 4.79 -0.21 0.66 2.96 -1.26 -0.11 118.68 122.03 1qpq s LEU 1283Ca 0.29 -0.97 -0.08 0.00 -0.22 0.00 0.00 54.13 53.15 1qpq s LEU 1283Cb -0.02 -2.05 -0.04 0.00 0.50 0.00 0.00 46.19 44.58 1qpq s LEU 1283CO 0.13 -0.39 0.10 -1.81 -1.32 0.00 0.00 176.35 173.05 1qpq s ASP 1284N 1.58 5.69 0.00 3.68 1.01 0.18 -4.90 116.67 123.91 1qpq s ASP 1284Ca 0.03 0.03 0.06 0.00 0.71 0.00 0.00 52.55 53.38 1qpq s ASP 1284Cb -0.19 -2.00 0.05 0.00 1.01 0.00 0.00 42.92 41.78 1qpq s ASP 1284CO 0.07 0.10 0.68 0.23 0.21 0.00 0.00 175.17 176.46