#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1g3t n LEU 1004N 0.00 -0.35 0.10 -2.67 4.32 -1.26 -0.12 117.00 117.02 1g3t n LEU 1004Ca 0.00 1.24 -0.13 0.00 -0.02 0.00 0.00 56.01 57.10 1g3t n LEU 1004Cb 0.00 -0.40 -0.08 0.00 -1.62 0.00 0.00 43.42 41.32 1g3t n LEU 1004CO 0.00 -0.80 0.80 -0.37 -1.22 0.00 0.00 177.39 175.80 1g3t h VAL 1005N 0.00 0.89 -0.98 4.08 -1.51 -2.05 -1.25 116.25 115.44 1g3t h VAL 1005Ca 0.05 -0.10 0.15 0.00 -1.23 0.00 0.00 66.70 65.57 1g3t h VAL 1005Cb 0.13 0.96 -0.09 0.00 -2.13 0.00 0.00 31.29 30.16 1g3t h VAL 1005CO -0.31 0.02 0.62 0.44 -1.23 0.00 0.00 177.57 177.11 1g3t h ASP 1006N -0.22 0.81 -0.19 4.19 3.32 -1.87 0.55 116.42 123.00 1g3t h ASP 1006Ca -0.02 0.06 -0.03 0.00 0.02 0.00 0.00 57.03 57.06 1g3t h ASP 1006Cb 0.18 -0.10 -0.01 0.00 0.22 0.00 0.00 39.33 39.62 1g3t h ASP 1006CO 0.03 0.38 0.00 0.74 -1.72 0.00 0.00 179.24 178.68 1g3t h THR 1007N 0.85 1.25 -0.63 0.35 2.02 -0.15 -0.36 112.91 116.22 1g3t h THR 1007Ca 0.51 -0.85 -0.04 0.00 0.77 0.00 0.00 66.41 66.80 1g3t h THR 1007Cb 0.69 1.43 -0.03 0.00 -1.74 0.00 0.00 68.15 68.50 1g3t h THR 1007CO -0.29 0.26 0.23 0.74 0.37 0.00 0.00 175.52 176.84 1g3t h THR 1008N 0.10 1.24 -0.75 3.16 2.02 0.04 0.12 112.91 118.84 1g3t h THR 1008Ca 0.06 -0.77 -0.02 0.00 0.77 0.00 0.00 66.41 66.44 1g3t h THR 1008Cb 0.38 0.56 -0.04 0.00 -1.74 0.00 0.00 68.15 67.31 1g3t h THR 1008CO 0.01 0.30 0.37 -0.33 0.37 0.00 0.00 175.52 176.24 1g3t h GLU 1009N 0.90 1.06 -0.28 6.66 5.08 0.20 -0.65 114.58 127.54 1g3t h GLU 1009Ca 0.21 -0.14 -0.10 0.00 -1.00 0.00 0.00 59.36 58.33 1g3t h GLU 1009Cb 0.24 -0.20 -0.01 0.00 0.50 0.00 0.00 28.75 29.28 1g3t h GLU 1009CO -0.01 0.80 -0.22 1.98 -1.00 0.00 0.00 179.01 180.56 1g3t h MET 1010N 1.05 0.64 -0.31 2.33 4.05 -0.51 -1.82 114.93 120.37 1g3t h MET 1010Ca 0.26 -0.32 0.03 0.00 -0.28 0.00 0.00 59.70 59.39 1g3t h MET 1010Cb 0.08 0.00 -0.03 0.00 -0.80 0.00 0.00 31.60 30.85 1g3t h MET 1010CO -0.04 0.92 0.13 1.88 0.23 0.00 0.00 176.91 180.03 1g3t h TYR 1011N 0.38 0.24 -0.39 1.39 -1.99 -0.19 -0.43 116.97 115.98 1g3t h TYR 1011Ca 0.05 0.01 -0.11 0.00 2.00 0.00 0.00 58.73 60.69 1g3t h TYR 1011Cb 0.77 -0.06 -0.01 0.00 2.00 0.00 0.00 36.73 39.42 1g3t h TYR 1011CO 0.07 0.12 -0.20 -0.07 -0.00 0.00 0.00 178.16 178.08 1g3t h LEU 1012N 0.29 0.77 -0.33 3.88 3.38 -1.17 -1.46 115.31 120.67 1g3t h LEU 1012Ca 0.14 -0.26 -0.06 0.00 0.09 0.00 0.00 57.88 57.78 1g3t h LEU 1012Cb 0.08 -0.21 -0.01 0.00 0.09 0.00 0.00 40.66 40.61 1g3t h LEU 1012CO -0.12 0.95 -0.02 -0.09 0.09 0.00 0.00 178.44 179.26 1g3t h ARG 1013N 0.67 0.60 -0.12 1.13 2.43 -0.99 -0.09 114.38 118.01 1g3t h ARG 1013Ca 0.10 -0.20 0.04 0.00 -0.81 0.00 0.00 59.98 59.10 1g3t h ARG 1013Cb 0.70 -0.05 -0.04 0.00 -0.42 0.00 0.00 29.97 30.16 1g3t h ARG 1013CO 0.05 0.74 -0.11 1.15 -1.51 0.00 0.00 179.97 180.30 1g3t h THR 1014N 0.40 0.69 -0.30 0.20 2.02 -0.98 -0.48 112.91 114.46 1g3t h THR 1014Ca 0.09 0.00 0.05 0.00 0.77 0.00 0.00 66.41 67.32 1g3t h THR 1014Cb 0.48 0.69 -0.05 0.00 -1.74 0.00 0.00 68.15 67.54 1g3t h THR 1014CO 0.02 0.00 0.00 0.40 0.37 0.00 0.00 175.52 176.31 1g3t h ILE 1015N -0.12 0.79 -0.88 3.11 2.04 -1.14 -0.70 117.51 120.60 1g3t h ILE 1015Ca 0.08 -0.03 0.12 0.00 1.00 0.00 0.00 64.86 66.04 1g3t h ILE 1015Cb 0.24 0.69 -0.08 0.00 -0.74 0.00 0.00 36.82 36.93 1g3t h ILE 1015CO -0.20 0.02 0.50 0.22 0.00 0.00 0.00 178.15 178.69 1g3t h TYR 1016N 0.09 0.89 -0.23 1.37 5.03 -0.41 -1.06 116.97 122.66 1g3t h TYR 1016Ca 0.14 0.03 -0.03 0.00 2.58 0.00 0.00 58.73 61.46 1g3t h TYR 1016Cb 0.19 -0.27 -0.01 0.00 1.55 0.00 0.00 36.73 38.19 1g3t h TYR 1016CO -0.22 0.30 0.04 0.93 -1.32 0.00 0.00 178.16 177.89 1g3t h GLU 1017N 0.77 0.37 -0.63 1.82 5.08 -0.00 -0.40 114.58 121.58 1g3t h GLU 1017Ca 0.45 -0.10 0.10 0.00 -1.00 0.00 0.00 59.36 58.82 1g3t h GLU 1017Cb 0.53 -0.04 -0.08 0.00 0.50 0.00 0.00 28.75 29.66 1g3t h GLU 1017CO -0.30 0.50 0.23 -0.07 -1.00 0.00 0.00 179.01 178.38 1g3t h LEU 1018N 0.18 0.22 -0.08 1.33 3.38 -0.39 0.25 115.31 120.20 1g3t h LEU 1018Ca 0.07 0.08 0.02 0.00 0.09 0.00 0.00 57.88 58.14 1g3t h LEU 1018Cb 0.31 0.07 -0.02 0.00 0.09 0.00 0.00 40.66 41.11 1g3t h LEU 1018CO 0.00 0.12 -0.04 -0.33 0.09 0.00 0.00 178.44 178.29 1g3t h GLU 1019N 0.41 -0.04 -0.98 1.13 5.08 -0.79 0.15 114.58 119.54 1g3t h GLU 1019Ca 0.33 0.00 0.12 0.00 -1.00 0.00 0.00 59.36 58.81 1g3t h GLU 1019Cb 0.42 0.01 -0.08 0.00 0.50 0.00 0.00 28.75 29.60 1g3t h GLU 1019CO -0.33 -0.03 0.62 0.93 -1.00 0.00 0.00 179.01 179.21 1g3t h GLU 1020N -0.04 0.92 0.00 2.33 5.08 0.66 -0.54 114.58 122.99 1g3t h GLU 1020Ca 0.05 -0.06 0.00 0.00 -1.00 0.00 0.00 59.36 58.35 1g3t h GLU 1020Cb 0.11 -0.21 0.00 0.00 0.50 0.00 0.00 28.75 29.15 1g3t h GLU 1020CO -0.10 0.61 0.00 0.39 -1.00 0.00 0.00 179.01 178.91 1g3t n GLU 1021N -4.60 0.74 -0.94 2.33 1.02 0.69 -4.84 120.64 115.03 1g3t n GLU 1021Ca 0.18 0.01 0.00 0.00 -0.02 0.00 0.00 57.16 57.33 1g3t n GLU 1021Cb 0.36 -1.50 0.00 0.00 -0.02 0.00 0.00 31.44 30.28 1g3t n GLU 1021CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1g3t n GLY 1022N 0.62 0.49 3.94 0.62 0.00 -0.21 -5.04 105.19 105.61 1g3t n GLY 1022Ca 0.18 -0.40 -0.24 0.00 0.00 0.00 0.00 46.02 45.56 1g3t n GLY 1022CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1g3t s VAL 1023N -2.00 5.15 -0.19 1.61 1.01 -0.05 -5.01 120.40 120.92 1g3t s VAL 1023Ca 0.00 -0.51 -0.18 0.00 0.00 0.00 0.00 61.98 61.29 1g3t s VAL 1023Cb 0.00 -3.83 -0.03 0.00 0.00 0.00 0.00 36.38 32.52 1g3t s VAL 1023CO 0.00 -0.42 0.49 -0.89 0.00 0.00 0.00 175.10 174.28 1g3t s THR 1024N -2.14 5.14 -0.63 3.92 2.01 -1.26 -3.81 115.64 118.87 1g3t s THR 1024Ca 0.39 0.89 -0.26 0.00 0.31 0.00 0.00 61.69 63.02 1g3t s THR 1024Cb -0.10 -3.81 -0.02 0.00 0.01 0.00 0.00 72.50 68.58 1g3t s THR 1024CO 0.33 0.21 1.88 -2.84 -0.69 0.00 0.00 174.62 173.50 1g3t s PRO 1025N 1.46 2.61 -0.07 4.92 0.02 -1.26 -4.94 135.00 137.73 1g3t s PRO 1025Ca 0.23 0.56 0.01 0.00 0.02 0.00 0.00 61.00 61.82 1g3t s PRO 1025Cb -0.15 -4.43 -0.03 0.00 0.02 0.00 0.00 34.50 29.91 1g3t s PRO 1025CO 0.09 -2.79 -0.08 -0.51 -0.33 0.00 0.00 177.00 173.38 1g3t s LEU 1026N 9.20 3.06 0.39 -5.54 1.43 -1.26 -0.66 118.68 125.31 1g3t s LEU 1026Ca 0.68 -0.08 0.17 0.00 -1.03 0.00 0.00 54.13 53.87 1g3t s LEU 1026Cb -0.12 -1.67 1.07 0.00 0.03 0.00 0.00 46.19 45.50 1g3t s LEU 1026CO 0.19 0.33 1.77 0.03 0.23 0.00 0.00 176.35 178.90 1g3t h ARG 1027N 5.46 0.41 -0.56 1.70 3.08 -1.92 0.33 114.38 122.87 1g3t h ARG 1027Ca -0.46 -0.02 -0.07 0.00 0.07 0.00 0.00 59.98 59.50 1g3t h ARG 1027Cb 1.17 -0.09 -0.02 0.00 0.08 0.00 0.00 29.97 31.11 1g3t h ARG 1027CO 0.53 0.27 0.08 0.00 -1.07 0.00 0.00 179.97 179.78 1g3t h ALA 1028N 1.63 1.09 -0.01 0.04 0.00 -1.95 -0.24 119.26 119.82 1g3t h ALA 1028Ca 0.60 -0.25 -0.00 0.00 0.00 0.00 0.00 54.91 55.26 1g3t h ALA 1028Cb 1.46 -0.22 -0.00 0.00 0.00 0.00 0.00 17.79 19.03 1g3t h ALA 1028CO -0.32 0.59 0.00 0.00 0.00 0.00 0.00 179.25 179.53 1g3t h ARG 1029N 0.84 0.02 -0.44 0.00 2.47 -0.74 -1.83 114.38 114.70 1g3t h ARG 1029Ca 0.17 -0.01 0.05 0.00 -1.26 0.00 0.00 59.98 58.94 1g3t h ARG 1029Cb 0.39 -0.00 -0.05 0.00 -1.65 0.00 0.00 29.97 28.66 1g3t h ARG 1029CO 0.01 0.23 0.18 0.82 0.56 0.00 0.00 179.97 181.77 1g3t h ILE 1030N -0.19 0.89 -0.00 2.04 2.04 -1.25 0.24 117.51 121.28 1g3t h ILE 1030Ca 0.00 -0.12 0.01 0.00 1.00 0.00 0.00 64.86 65.75 1g3t h ILE 1030Cb 0.22 0.50 -0.04 0.00 -0.74 0.00 0.00 36.82 36.76 1g3t h ILE 1030CO -0.00 0.07 -0.35 0.00 0.00 0.00 0.00 178.15 177.87 1g3t h ALA 1031N 1.27 -0.79 0.00 1.87 0.00 -0.77 0.65 119.26 121.50 1g3t h ALA 1031Ca 0.20 -0.06 0.00 0.00 0.00 0.00 0.00 54.91 55.06 1g3t h ALA 1031Cb 0.17 0.80 0.00 0.00 0.00 0.00 0.00 17.79 18.76 1g3t h ALA 1031CO -0.19 -0.89 0.00 -0.85 0.00 0.00 0.00 179.25 177.32 1g3t n GLU 1032N -4.39 0.21 0.01 0.00 0.28 -0.71 0.10 120.64 116.13 1g3t n GLU 1032Ca -0.05 0.44 -0.07 0.00 -0.16 0.00 0.00 57.16 57.33 1g3t n GLU 1032Cb 0.25 -1.90 -0.12 0.00 1.43 0.00 0.00 31.44 31.11 1g3t n GLU 1032CO 0.00 0.00 0.00 -0.09 -0.16 0.00 0.00 177.13 176.88 1g3t h ARG 1033N 0.00 0.00 -0.50 3.44 9.65 0.55 -3.31 114.38 124.20 1g3t h ARG 1033Ca 0.00 0.00 0.00 0.00 -1.10 0.00 0.00 59.98 58.88 1g3t h ARG 1033Cb 0.36 0.00 0.00 0.00 -1.39 0.00 0.00 29.97 28.94 1g3t h ARG 1033CO 0.00 0.59 0.00 1.28 2.80 0.00 0.00 179.97 184.64 1g3t n LEU 1034N -3.11 4.90 -3.68 3.80 4.77 0.22 -4.90 117.00 119.00 1g3t n LEU 1034Ca -0.11 -2.79 -0.28 0.00 -0.03 0.00 0.00 56.01 52.80 1g3t n LEU 1034Cb 0.98 -0.60 -0.01 0.00 -2.33 0.00 0.00 43.42 41.46 1g3t n LEU 1034CO 0.45 0.69 -0.03 -0.62 -1.33 0.00 0.00 177.39 176.55 1g3t n GLU 1035N 0.45 -3.30 -4.00 3.23 4.71 -0.44 -4.90 120.64 116.38 1g3t n GLU 1035Ca 0.25 0.41 -0.26 0.00 -0.01 0.00 0.00 57.16 57.56 1g3t n GLU 1035Cb 1.01 -5.13 -0.04 0.00 -1.01 0.00 0.00 31.44 26.27 1g3t n GLU 1035CO 0.00 0.00 0.00 -0.65 0.09 0.00 0.00 177.13 176.57 1g3t s GLN 1036N -6.35 3.22 -0.01 3.49 -1.52 0.28 -5.00 119.66 113.76 1g3t s GLN 1036Ca 0.53 -0.73 -0.21 0.00 -1.95 0.00 0.00 55.36 53.00 1g3t s GLN 1036Cb -0.28 -2.83 -0.05 0.00 -0.22 0.00 0.00 33.01 29.63 1g3t s GLN 1036CO 0.65 0.50 0.61 -1.54 -0.25 0.00 0.00 175.29 175.26 1g3t s SER 1037N -3.25 6.98 0.22 5.90 1.04 -1.26 -4.29 113.70 119.04 1g3t s SER 1037Ca 0.33 1.17 -0.15 0.00 0.48 0.00 0.00 55.95 57.78 1g3t s SER 1037Cb -0.10 -2.37 0.23 0.00 0.10 0.00 0.00 66.02 63.88 1g3t s SER 1037CO 0.26 0.07 1.59 1.23 0.98 0.00 0.00 173.24 177.38 1g3t h GLY 1038N 5.78 0.27 0.91 7.32 0.00 -1.94 0.14 103.07 115.55 1g3t h GLY 1038Ca -0.45 0.33 0.10 0.00 0.00 0.00 0.00 47.33 47.32 1g3t h GLY 1038CO 0.70 -0.25 0.47 -2.55 0.00 0.00 0.00 176.54 174.91 1g3t h PRO 1039N -0.06 0.54 -0.06 4.80 0.11 -1.99 0.35 132.00 135.70 1g3t h PRO 1039Ca 0.31 -0.03 -0.03 0.00 0.11 0.00 0.00 66.00 66.36 1g3t h PRO 1039Cb 0.55 -0.12 -0.00 0.00 0.11 0.00 0.00 31.00 31.54 1g3t h PRO 1039CO -0.75 0.35 -0.07 1.15 -0.21 0.00 0.00 178.00 178.47 1g3t h THR 1040N 0.55 1.39 -0.32 -1.15 2.02 -1.21 0.10 112.91 114.30 1g3t h THR 1040Ca 0.33 -1.28 -0.01 0.00 0.77 0.00 0.00 66.41 66.22 1g3t h THR 1040Cb 0.53 2.12 -0.02 0.00 -1.74 0.00 0.00 68.15 69.05 1g3t h THR 1040CO -0.11 0.35 0.16 -0.37 0.37 0.00 0.00 175.52 175.92 1g3t h VAL 1041N -0.32 1.11 -0.23 3.16 -1.51 -0.03 0.34 116.25 118.78 1g3t h VAL 1041Ca 0.01 -0.31 -0.11 0.00 -1.23 0.00 0.00 66.70 65.06 1g3t h VAL 1041Cb 0.60 0.70 -0.00 0.00 -2.13 0.00 0.00 31.29 30.46 1g3t h VAL 1041CO 0.02 0.13 -0.29 0.28 -1.23 0.00 0.00 177.57 176.47 1g3t h SER 1042N 0.44 0.64 -0.08 4.19 0.02 -0.85 0.13 113.55 118.04 1g3t h SER 1042Ca 0.11 -0.50 0.04 0.00 -0.84 0.00 0.00 61.79 60.60 1g3t h SER 1042Cb 0.04 -0.18 -0.05 0.00 0.14 0.00 0.00 62.40 62.35 1g3t h SER 1042CO -0.02 1.02 -0.25 -0.61 -1.14 0.00 0.00 176.83 175.83 1g3t h GLN 1043N 0.29 -0.33 0.33 3.45 4.15 0.64 0.75 115.11 124.38 1g3t h GLN 1043Ca 0.03 0.02 -0.02 0.00 0.77 0.00 0.00 58.65 59.45 1g3t h GLN 1043Cb 0.86 0.08 0.00 0.00 0.21 0.00 0.00 27.48 28.63 1g3t h GLN 1043CO 0.07 -0.22 -0.16 1.15 -1.93 0.00 0.00 178.83 177.74 1g3t h THR 1044N -0.34 0.69 -0.90 2.39 2.02 -0.93 -1.92 112.91 113.91 1g3t h THR 1044Ca 0.09 -0.42 0.12 0.00 0.77 0.00 0.00 66.41 66.97 1g3t h THR 1044Cb 0.47 0.91 -0.08 0.00 -1.74 0.00 0.00 68.15 67.71 1g3t h THR 1044CO -0.28 0.08 0.53 0.58 0.37 0.00 0.00 175.52 176.80 1g3t h VAL 1045N -0.68 0.87 -0.38 3.16 2.07 -0.67 0.24 116.25 120.87 1g3t h VAL 1045Ca -0.05 -0.28 0.03 0.00 0.82 0.00 0.00 66.70 67.23 1g3t h VAL 1045Cb 0.47 -0.03 -0.04 0.00 -1.52 0.00 0.00 31.29 30.18 1g3t h VAL 1045CO 0.07 0.15 0.16 0.00 0.02 0.00 0.00 177.57 177.98 1g3t h ALA 1046N 1.51 0.45 -0.31 1.67 0.00 -0.73 0.51 119.26 122.37 1g3t h ALA 1046Ca 0.45 0.03 -0.02 0.00 0.00 0.00 0.00 54.91 55.37 1g3t h ALA 1046Cb 0.49 -0.02 -0.01 0.00 0.00 0.00 0.00 17.79 18.24 1g3t h ALA 1046CO -0.28 -0.21 0.11 0.00 0.00 0.00 0.00 179.25 178.87 1g3t h ARG 1047N 0.34 0.47 -0.74 0.00 3.08 -0.31 -1.80 114.38 115.42 1g3t h ARG 1047Ca 0.16 -0.09 0.11 0.00 0.07 0.00 0.00 59.98 60.24 1g3t h ARG 1047Cb 0.10 -0.07 -0.05 0.00 0.08 0.00 0.00 29.97 30.03 1g3t h ARG 1047CO -0.14 0.49 0.49 0.52 -1.07 0.00 0.00 179.97 180.26 1g3t h MET 1048N 0.34 0.56 -0.29 0.04 2.86 0.64 0.27 114.93 119.36 1g3t h MET 1048Ca 0.10 -0.03 -0.09 0.00 -2.06 0.00 0.00 59.70 57.61 1g3t h MET 1048Cb 0.20 -0.13 -0.01 0.00 0.06 0.00 0.00 31.60 31.73 1g3t h MET 1048CO -0.01 0.37 -0.19 1.49 1.06 0.00 0.00 176.91 179.63 1g3t h GLU 1049N 0.57 0.64 0.00 1.72 4.81 0.42 -0.13 114.58 122.62 1g3t h GLU 1049Ca 0.35 -0.30 -0.01 0.00 -0.13 0.00 0.00 59.36 59.26 1g3t h GLU 1049Cb 0.58 -0.01 -0.00 0.00 0.63 0.00 0.00 28.75 29.95 1g3t h GLU 1049CO -0.12 0.89 -0.07 0.00 -0.73 0.00 0.00 179.01 178.98 1g3t h ARG 1050N 0.38 0.00 -0.01 1.92 3.08 -0.23 0.26 114.38 119.79 1g3t h ARG 1050Ca 0.06 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.11 1g3t h ARG 1050Cb 0.73 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.78 1g3t h ARG 1050CO 0.05 0.07 -0.20 -0.25 -1.07 0.00 0.00 179.97 178.57 1g3t n ASP 1051N -3.28 1.00 -1.72 7.04 8.00 -0.09 -4.95 116.55 122.55 1g3t n ASP 1051Ca -0.01 -0.92 -0.11 0.00 0.71 0.00 0.00 54.79 54.46 1g3t n ASP 1051Cb 0.26 0.09 0.02 0.00 -0.02 0.00 0.00 41.12 41.47 1g3t n ASP 1051CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1g3t n GLY 1052N 1.31 0.14 0.03 0.44 0.00 0.08 -4.94 105.19 102.24 1g3t n GLY 1052Ca 0.13 -0.30 0.04 0.00 0.00 0.00 0.00 46.02 45.89 1g3t n GLY 1052CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1g3t n LEU 1053N -2.28 0.00 -3.67 0.99 4.77 -0.13 -4.46 117.00 112.23 1g3t n LEU 1053Ca -0.04 0.00 -0.15 0.00 -0.03 0.00 0.00 56.01 55.79 1g3t n LEU 1053Cb 0.55 0.12 -0.08 0.00 -2.33 0.00 0.00 43.42 41.68 1g3t n LEU 1053CO 0.26 0.12 0.18 0.54 -1.33 0.00 0.00 177.39 177.16 1g3t s VAL 1054N -2.93 0.03 -0.06 4.08 0.11 -1.23 -1.37 120.40 119.03 1g3t s VAL 1054Ca -0.07 -0.28 0.04 0.00 -2.93 0.00 0.00 61.98 58.73 1g3t s VAL 1054Cb 0.09 -0.76 0.00 0.00 -1.53 0.00 0.00 36.38 34.18 1g3t s VAL 1054CO 0.69 -0.16 -0.17 0.68 -3.33 0.00 0.00 175.10 172.82 1g3t s VAL 1055N -1.25 1.43 -0.60 2.04 -7.23 -0.08 -4.07 120.40 110.64 1g3t s VAL 1055Ca -0.12 -0.68 -0.25 0.00 -1.81 0.00 0.00 61.98 59.11 1g3t s VAL 1055Cb -0.03 -1.25 0.04 0.00 0.56 0.00 0.00 36.38 35.70 1g3t s VAL 1055CO 0.06 0.42 1.05 -0.69 -0.31 0.00 0.00 175.10 175.63 1g3t s VAL 1056N 0.30 4.20 0.83 1.32 1.01 -1.26 -0.54 120.40 126.26 1g3t s VAL 1056Ca -0.10 0.35 -0.14 0.00 0.00 0.00 0.00 61.98 62.08 1g3t s VAL 1056Cb -0.14 -4.66 0.01 0.00 0.00 0.00 0.00 36.38 31.59 1g3t s VAL 1056CO 0.04 -1.32 0.59 0.00 0.00 0.00 0.00 175.10 174.41 1g3t n ALA 1057N 7.99 -1.69 0.25 5.51 0.00 0.38 -4.73 120.51 128.21 1g3t n ALA 1057Ca 0.03 -0.40 0.18 0.00 0.00 0.00 0.00 53.44 53.24 1g3t n ALA 1057Cb 0.48 -1.90 0.87 0.00 0.00 0.00 0.00 19.45 18.90 1g3t n ALA 1057CO 0.00 0.00 0.00 0.77 0.00 0.00 0.00 177.50 178.27 1g3t h SER 1058N -0.94 0.00 -0.27 0.00 0.02 -1.94 1.29 113.55 111.71 1g3t h SER 1058Ca -0.45 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.50 1g3t h SER 1058Cb 1.31 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.85 1g3t h SER 1058CO 0.40 0.00 0.00 -0.90 -1.14 0.00 0.00 176.83 175.19 1g3t n ASP 1059N -3.38 3.08 -1.60 3.07 5.75 -1.26 -4.88 116.55 117.34 1g3t n ASP 1059Ca 0.01 -2.40 -0.21 0.00 -0.01 0.00 0.00 54.79 52.18 1g3t n ASP 1059Cb 0.36 -0.56 -0.09 0.00 -1.03 0.00 0.00 41.12 39.79 1g3t n ASP 1059CO 0.00 0.00 0.00 -2.11 -0.11 0.00 0.00 177.20 174.98 1g3t n ARG 1060N 0.30 -1.45 -3.29 0.11 0.00 0.44 -5.00 116.66 107.78 1g3t n ARG 1060Ca 0.13 1.23 -0.20 0.00 -0.00 0.00 0.00 57.85 59.01 1g3t n ARG 1060Cb 0.66 -5.62 0.00 0.00 -0.00 0.00 0.00 32.46 27.50 1g3t n ARG 1060CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.63 176.09 1g3t s SER 1061N -2.78 5.91 -0.41 2.89 1.04 -1.22 -4.57 113.70 114.56 1g3t s SER 1061Ca 0.00 -0.01 -0.14 0.00 0.48 0.00 0.00 55.95 56.28 1g3t s SER 1061Cb 0.00 -1.34 0.03 0.00 0.10 0.00 0.00 66.02 64.81 1g3t s SER 1061CO 0.00 -0.54 0.28 -0.76 0.98 0.00 0.00 173.24 173.21 1g3t s LEU 1062N -4.32 5.07 -0.41 2.42 1.43 0.17 0.14 118.68 123.18 1g3t s LEU 1062Ca 0.46 -1.03 -0.15 0.00 -1.03 0.00 0.00 54.13 52.38 1g3t s LEU 1062Cb -0.10 -2.11 0.02 0.00 0.03 0.00 0.00 46.19 44.03 1g3t s LEU 1062CO 0.34 -0.47 0.30 -1.10 0.23 0.00 0.00 176.35 175.65 1g3t s GLN 1063N 1.62 2.98 0.10 1.70 -0.21 0.30 -4.72 119.66 121.44 1g3t s GLN 1063Ca 0.04 -1.01 -0.31 0.00 0.02 0.00 0.00 55.36 54.10 1g3t s GLN 1063Cb -0.20 -3.98 -0.08 0.00 1.00 0.00 0.00 33.01 29.75 1g3t s GLN 1063CO 0.08 -0.75 1.37 -1.64 -2.12 0.00 0.00 175.29 172.24 1g3t s MET 1064N 1.69 4.33 0.98 2.91 -1.94 -1.26 -0.90 119.30 125.10 1g3t s MET 1064Ca 0.05 2.05 -0.12 0.00 -1.71 0.00 0.00 55.69 55.96 1g3t s MET 1064Cb -0.19 -3.27 0.18 0.00 2.01 0.00 0.00 34.83 33.55 1g3t s MET 1064CO 0.10 -0.43 1.09 0.95 -0.01 0.00 0.00 175.02 176.72 1g3t s THR 1065N 1.16 2.30 0.21 2.05 -4.23 -0.47 -4.59 115.64 112.07 1g3t s THR 1065Ca 0.64 0.10 -0.09 0.00 -1.18 0.00 0.00 61.69 61.15 1g3t s THR 1065Cb -0.36 -2.51 0.17 0.00 1.34 0.00 0.00 72.50 71.14 1g3t s THR 1065CO 0.30 -0.13 1.70 -0.65 -0.54 0.00 0.00 174.62 175.30 1g3t h PRO 1066N -1.86 0.25 -0.57 3.99 0.11 -1.89 0.58 132.00 132.61 1g3t h PRO 1066Ca -0.53 -0.01 -0.07 0.00 0.11 0.00 0.00 66.00 65.50 1g3t h PRO 1066Cb 1.31 -0.06 -0.02 0.00 0.11 0.00 0.00 31.00 32.34 1g3t h PRO 1066CO 0.55 0.16 0.09 1.79 -0.21 0.00 0.00 178.00 180.38 1g3t h THR 1067N 0.25 1.24 -0.34 -1.15 1.35 -1.91 -1.14 112.91 111.23 1g3t h THR 1067Ca 0.33 -0.94 0.02 0.00 -0.55 0.00 0.00 66.41 65.26 1g3t h THR 1067Cb 0.49 0.71 -0.02 0.00 -1.73 0.00 0.00 68.15 67.60 1g3t h THR 1067CO -0.42 0.35 0.19 1.23 -0.25 0.00 0.00 175.52 176.61 1g3t h GLY 1068N 1.01 0.46 1.08 5.82 0.00 -1.31 -1.72 103.07 108.40 1g3t h GLY 1068Ca 0.18 -0.14 -0.09 0.00 0.00 0.00 0.00 47.33 47.29 1g3t h GLY 1068CO 0.01 0.12 0.07 -0.09 0.00 0.00 0.00 176.54 176.65 1g3t h ARG 1069N 0.38 1.10 -0.79 4.80 2.43 -0.57 0.60 114.38 122.34 1g3t h ARG 1069Ca 0.13 -0.32 -0.02 0.00 -0.81 0.00 0.00 59.98 58.97 1g3t h ARG 1069Cb 0.02 -0.12 -0.04 0.00 -0.42 0.00 0.00 29.97 29.41 1g3t h ARG 1069CO -0.07 1.03 0.40 1.15 -1.51 0.00 0.00 179.97 180.97 1g3t h THR 1070N 1.02 1.24 -0.15 0.20 2.02 -1.05 0.70 112.91 116.88 1g3t h THR 1070Ca 0.19 -0.64 -0.11 0.00 0.77 0.00 0.00 66.41 66.62 1g3t h THR 1070Cb 0.49 0.21 0.00 0.00 -1.74 0.00 0.00 68.15 67.10 1g3t h THR 1070CO 0.02 0.28 -0.34 0.25 0.37 0.00 0.00 175.52 176.10 1g3t h LEU 1071N 1.11 0.56 -0.52 2.58 5.85 -0.92 -1.29 115.31 122.69 1g3t h LEU 1071Ca 0.27 -0.57 0.05 0.00 0.84 0.00 0.00 57.88 58.48 1g3t h LEU 1071Cb 0.07 -0.16 -0.05 0.00 0.37 0.00 0.00 40.66 40.89 1g3t h LEU 1071CO -0.04 1.03 0.26 0.00 -0.34 0.00 0.00 178.44 179.35 1g3t h ALA 1072N 0.55 0.67 -0.60 1.25 0.00 -0.58 -1.15 119.26 119.40 1g3t h ALA 1072Ca 0.00 0.03 -0.05 0.00 0.00 0.00 0.00 54.91 54.88 1g3t h ALA 1072Cb 0.95 -0.06 -0.02 0.00 0.00 0.00 0.00 17.79 18.65 1g3t h ALA 1072CO 0.08 -0.09 0.17 1.15 0.00 0.00 0.00 179.25 180.55 1g3t h THR 1073N 0.50 1.25 -0.31 0.00 2.02 -0.81 -0.93 112.91 114.62 1g3t h THR 1073Ca 0.23 -0.86 -0.00 0.00 0.77 0.00 0.00 66.41 66.55 1g3t h THR 1073Cb 0.15 0.67 -0.01 0.00 -1.74 0.00 0.00 68.15 67.21 1g3t h THR 1073CO -0.17 0.32 0.19 0.00 0.37 0.00 0.00 175.52 176.23 1g3t h ALA 1074N 1.05 0.39 -0.59 6.16 0.00 -0.78 0.30 119.26 125.79 1g3t h ALA 1074Ca 0.19 -0.05 -0.02 0.00 0.00 0.00 0.00 54.91 55.04 1g3t h ALA 1074Cb 0.32 -0.12 -0.03 0.00 0.00 0.00 0.00 17.79 17.95 1g3t h ALA 1074CO -0.00 -0.11 0.29 0.28 0.00 0.00 0.00 179.25 179.71 1g3t h VAL 1075N 0.40 1.19 -0.13 0.00 2.07 -1.06 0.45 116.25 119.17 1g3t h VAL 1075Ca 0.11 -0.54 -0.21 0.00 0.82 0.00 0.00 66.70 66.88 1g3t h VAL 1075Cb 0.01 0.43 0.01 0.00 -1.52 0.00 0.00 31.29 30.21 1g3t h VAL 1075CO -0.02 0.23 -0.77 -0.03 0.02 0.00 0.00 177.57 177.00 1g3t h MET 1076N 0.83 0.69 0.42 1.57 -1.53 -0.66 -0.63 114.93 115.63 1g3t h MET 1076Ca 0.21 -0.57 -0.02 0.00 -3.44 0.00 0.00 59.70 55.88 1g3t h MET 1076Cb 0.08 0.12 0.00 0.00 -0.55 0.00 0.00 31.60 31.25 1g3t h MET 1076CO -0.03 1.18 -0.20 -0.09 0.14 0.00 0.00 176.91 177.91 1g3t h ARG 1077N 0.47 -0.55 -0.73 0.39 2.43 0.08 0.07 114.38 116.55 1g3t h ARG 1077Ca -0.05 0.04 0.03 0.00 -0.81 0.00 0.00 59.98 59.19 1g3t h ARG 1077Cb 1.38 0.12 -0.04 0.00 -0.42 0.00 0.00 29.97 31.01 1g3t h ARG 1077CO 0.15 -0.34 0.46 0.87 -1.51 0.00 0.00 179.97 179.60 1g3t h LYS 1078N -0.61 0.88 -0.44 0.20 1.57 -0.96 0.11 116.57 117.32 1g3t h LYS 1078Ca -0.06 -0.05 0.07 0.00 -1.87 0.00 0.00 60.65 58.73 1g3t h LYS 1078Cb 0.46 -0.20 -0.06 0.00 0.08 0.00 0.00 32.23 32.52 1g3t h LYS 1078CO 0.10 0.58 0.11 1.25 -0.57 0.00 0.00 179.45 180.92 1g3t h HIS 1079N 0.91 0.19 0.00 -1.35 2.76 -0.81 -0.22 115.15 116.63 1g3t h HIS 1079Ca 0.29 0.03 -0.16 0.00 -2.20 0.00 0.00 60.37 58.32 1g3t h HIS 1079Cb -0.00 -0.02 -0.02 0.00 1.55 0.00 0.00 27.41 28.91 1g3t h HIS 1079CO -0.04 0.04 -0.76 0.00 -1.30 0.00 0.00 177.93 175.87 1g3t h ARG 1080N 0.26 0.00 0.00 5.26 3.08 -0.05 -1.60 114.38 121.34 1g3t h ARG 1080Ca 0.21 0.00 -0.11 0.00 0.07 0.00 0.00 59.98 60.15 1g3t h ARG 1080Cb 0.25 0.00 -0.02 0.00 0.08 0.00 0.00 29.97 30.28 1g3t h ARG 1080CO -0.26 0.76 -0.54 -0.07 -1.07 0.00 0.00 179.97 178.79 1g3t h LEU 1081N 0.00 0.00 -0.08 3.04 3.38 -0.50 -1.73 115.31 119.42 1g3t h LEU 1081Ca -0.01 0.00 -0.02 0.00 0.09 0.00 0.00 57.88 57.94 1g3t h LEU 1081Cb 1.36 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 42.11 1g3t h LEU 1081CO 0.10 0.54 -0.03 0.00 0.09 0.00 0.00 178.44 179.14 1g3t h ALA 1082N 1.46 0.11 -0.59 1.53 0.00 -0.72 -1.58 119.26 119.48 1g3t h ALA 1082Ca -0.01 -0.22 0.04 0.00 0.00 0.00 0.00 54.91 54.72 1g3t h ALA 1082Cb 1.06 -0.03 -0.03 0.00 0.00 0.00 0.00 17.79 18.79 1g3t h ALA 1082CO 0.07 -0.15 0.39 0.93 0.00 0.00 0.00 179.25 180.48 1g3t h GLU 1083N -0.19 0.65 -0.14 0.00 5.08 -1.12 0.01 114.58 118.88 1g3t h GLU 1083Ca 0.02 -0.04 -0.04 0.00 -1.00 0.00 0.00 59.36 58.30 1g3t h GLU 1083Cb 0.44 -0.15 -0.00 0.00 0.50 0.00 0.00 28.75 29.54 1g3t h GLU 1083CO 0.01 0.43 -0.08 0.00 -1.00 0.00 0.00 179.01 178.37 1g3t h ARG 1084N 0.67 0.30 -0.22 2.33 2.47 -1.10 -2.28 114.38 116.55 1g3t h ARG 1084Ca 0.24 -0.14 0.02 0.00 -1.26 0.00 0.00 59.98 58.84 1g3t h ARG 1084Cb 0.11 -0.00 -0.02 0.00 -1.65 0.00 0.00 29.97 28.40 1g3t h ARG 1084CO -0.06 0.65 0.07 1.25 0.56 0.00 0.00 179.97 182.43 1g3t h LEU 1085N -0.05 0.07 -1.32 3.04 5.85 -0.79 0.39 115.31 122.50 1g3t h LEU 1085Ca 0.03 0.03 0.08 0.00 0.84 0.00 0.00 57.88 58.85 1g3t h LEU 1085Cb 0.57 0.02 -0.05 0.00 0.37 0.00 0.00 40.66 41.56 1g3t h LEU 1085CO 0.02 0.07 0.52 -0.07 -0.34 0.00 0.00 178.44 178.64 1g3t h LEU 1086N 0.17 0.71 0.00 2.25 3.38 -0.95 0.16 115.31 121.03 1g3t h LEU 1086Ca 0.10 0.01 -0.35 0.00 0.09 0.00 0.00 57.88 57.73 1g3t h LEU 1086Cb 0.07 -0.14 -0.05 0.00 0.09 0.00 0.00 40.66 40.63 1g3t h LEU 1086CO -0.11 0.44 -1.90 0.35 0.09 0.00 0.00 178.44 177.32 1g3t n THR 1087N -4.49 1.54 0.04 0.22 -2.24 -0.86 0.30 114.28 108.78 1g3t n THR 1087Ca 0.12 -0.22 -0.12 0.00 -2.27 0.00 0.00 64.05 61.56 1g3t n THR 1087Cb 0.27 -1.95 -0.08 0.00 -2.10 0.00 0.00 70.33 66.47 1g3t n THR 1087CO 0.00 0.00 0.00 0.44 -0.57 0.00 0.00 175.07 174.94 1g3t h ASP 1088N -0.96 -0.03 0.00 3.42 5.19 -0.25 -3.31 116.42 120.49 1g3t h ASP 1088Ca -0.52 -0.09 0.00 0.00 -0.62 0.00 0.00 57.03 55.80 1g3t h ASP 1088Cb 1.48 0.01 0.00 0.00 0.18 0.00 0.00 39.33 40.99 1g3t h ASP 1088CO -0.30 0.07 -0.76 -0.38 -3.12 0.00 0.00 179.24 174.75 1g3t n ILE 1089N -5.06 1.17 -0.21 0.35 5.41 0.42 -4.68 119.36 116.76 1g3t n ILE 1089Ca -0.07 0.22 -0.01 0.00 1.00 0.00 0.00 62.75 63.89 1g3t n ILE 1089Cb 0.08 -2.15 0.22 0.00 -0.71 0.00 0.00 39.64 37.09 1g3t n ILE 1089CO 0.00 0.00 0.00 0.40 0.00 0.00 0.00 176.55 176.95 1g3t h ILE 1090N -0.76 1.21 0.00 1.39 2.04 -1.27 -3.46 117.51 116.65 1g3t h ILE 1090Ca 0.00 -0.47 0.00 0.00 1.00 0.00 0.00 64.86 65.39 1g3t h ILE 1090Cb 0.76 0.20 0.00 0.00 -0.74 0.00 0.00 36.82 37.04 1g3t h ILE 1090CO 0.00 0.22 0.00 0.61 0.00 0.00 0.00 178.15 178.98 1g3t n GLY 1091N -1.28 0.54 3.75 5.37 0.00 0.01 -5.00 105.19 108.59 1g3t n GLY 1091Ca 0.07 -0.85 -0.38 0.00 0.00 0.00 0.00 46.02 44.86 1g3t n GLY 1091CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 1g3t s LEU 1092N 0.00 3.87 0.10 0.99 2.96 0.15 -4.86 118.68 121.88 1g3t s LEU 1092Ca 0.00 2.71 -0.36 0.00 -0.22 0.00 0.00 54.13 56.26 1g3t s LEU 1092Cb 0.00 -4.27 -0.16 0.00 0.50 0.00 0.00 46.19 42.26 1g3t s LEU 1092CO 0.00 -1.50 1.35 -0.67 -1.32 0.00 0.00 176.35 174.21 1g3t n ASP 1093N -0.97 1.72 0.24 3.68 2.03 -1.26 -4.68 116.55 117.31 1g3t n ASP 1093Ca 0.10 1.12 0.15 0.00 0.52 0.00 0.00 54.79 56.68 1g3t n ASP 1093Cb 0.45 -1.21 0.83 0.00 -0.72 0.00 0.00 41.12 40.48 1g3t n ASP 1093CO 0.00 0.00 0.00 -0.29 -1.92 0.00 0.00 177.20 174.99 1g3t h ILE 1094N 3.31 0.57 0.00 5.18 6.09 -1.96 0.29 117.51 130.99 1g3t h ILE 1094Ca -0.47 0.00 0.00 0.00 -1.37 0.00 0.00 64.86 63.02 1g3t h ILE 1094Cb 1.33 0.91 0.00 0.00 0.47 0.00 0.00 36.82 39.53 1g3t h ILE 1094CO 0.78 0.00 0.00 0.59 -3.07 0.00 0.00 178.15 176.45 1g3t n ASN 1095N -3.94 0.00 -0.00 2.19 3.02 -1.26 -3.10 115.26 112.17 1g3t n ASN 1095Ca -0.00 0.27 0.05 0.00 -0.03 0.00 0.00 54.58 54.87 1g3t n ASN 1095Cb 0.22 -0.42 -0.07 0.00 -0.61 0.00 0.00 39.78 38.90 1g3t n ASN 1095CO 0.00 0.00 0.00 0.29 -2.62 0.00 0.00 177.26 174.93 1g3t n LYS 1096N -1.42 1.75 -0.24 3.52 4.76 0.93 -4.73 118.16 122.73 1g3t n LYS 1096Ca 0.09 -0.05 0.03 0.00 -2.87 0.00 0.00 58.31 55.51 1g3t n LYS 1096Cb 0.29 -1.12 0.15 0.00 -1.84 0.00 0.00 35.03 32.52 1g3t n LYS 1096CO 0.00 0.00 0.00 0.28 -1.37 0.00 0.00 177.40 176.31 1g3t h VAL 1097N 0.00 0.70 -0.09 -0.18 2.07 -1.28 -2.73 116.25 114.73 1g3t h VAL 1097Ca 0.00 -0.15 -0.01 0.00 0.82 0.00 0.00 66.70 67.36 1g3t h VAL 1097Cb 0.36 0.23 -0.00 0.00 -1.52 0.00 0.00 31.29 30.36 1g3t h VAL 1097CO 0.00 0.08 0.00 -0.74 0.02 0.00 0.00 177.57 176.93 1g3t h HIS 1098N 0.43 0.17 -0.25 1.57 -0.00 -1.85 -0.50 115.15 114.72 1g3t h HIS 1098Ca 0.37 -0.03 -0.06 0.00 -0.00 0.00 0.00 60.37 60.66 1g3t h HIS 1098Cb 0.52 -0.04 -0.01 0.00 -0.00 0.00 0.00 27.41 27.88 1g3t h HIS 1098CO -0.17 0.41 -0.09 -0.44 -0.00 0.00 0.00 177.93 177.64 1g3t h ASP 1099N -0.12 0.38 0.01 3.26 3.45 -1.88 -0.93 116.42 120.59 1g3t h ASP 1099Ca 0.02 -0.08 -0.00 0.00 0.43 0.00 0.00 57.03 57.40 1g3t h ASP 1099Cb 0.34 -0.10 0.00 0.00 -0.56 0.00 0.00 39.33 39.01 1g3t h ASP 1099CO 0.00 0.51 -0.01 -0.08 -1.57 0.00 0.00 179.24 178.10 1g3t h GLU 1100N 0.38 -0.01 -0.14 3.56 4.57 -1.43 -3.20 114.58 118.31 1g3t h GLU 1100Ca 0.08 0.00 -0.00 0.00 -1.18 0.00 0.00 59.36 58.26 1g3t h GLU 1100Cb 0.40 0.00 -0.01 0.00 -0.16 0.00 0.00 28.75 28.99 1g3t h GLU 1100CO 0.02 0.42 0.08 0.00 -1.18 0.00 0.00 179.01 178.35 1g3t h ALA 1101N 0.53 1.88 0.00 2.92 0.00 -0.65 -0.70 119.26 123.23 1g3t h ALA 1101Ca -0.00 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.89 1g3t h ALA 1101Cb 0.44 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.17 1g3t h ALA 1101CO 0.00 0.11 0.00 0.77 0.00 0.00 0.00 179.25 180.13 1g3t h SER 1102N 0.19 0.00 0.00 0.00 0.02 -1.18 -0.95 113.55 111.64 1g3t h SER 1102Ca 0.05 0.00 -0.13 0.00 -0.84 0.00 0.00 61.79 60.87 1g3t h SER 1102Cb -0.00 0.00 -0.02 0.00 0.14 0.00 0.00 62.40 62.52 1g3t h SER 1102CO -0.01 0.00 -0.82 0.03 -1.14 0.00 0.00 176.83 174.89 1g3t h ARG 1103N 0.00 0.00 0.00 3.45 3.08 -1.17 -3.38 114.38 116.36 1g3t h ARG 1103Ca 0.00 0.00 -0.01 0.00 0.07 0.00 0.00 59.98 60.04 1g3t h ARG 1103Cb 0.37 0.00 -0.00 0.00 0.08 0.00 0.00 29.97 30.42 1g3t h ARG 1103CO 0.00 0.71 -0.02 -1.49 -1.07 0.00 0.00 179.97 178.09 1g3t h TRP 1104N -1.00 0.00 -0.01 3.04 4.06 -1.23 -2.53 115.95 118.28 1g3t h TRP 1104Ca -0.19 0.00 0.00 0.00 2.06 0.00 0.00 58.89 60.76 1g3t h TRP 1104Cb 0.99 0.00 -0.00 0.00 -1.00 0.00 0.00 29.16 29.15 1g3t h TRP 1104CO 0.05 0.02 0.02 1.05 -3.56 0.00 0.00 178.44 176.02 1g3t h GLU 1105N 0.00 0.00 0.00 0.49 4.11 -1.36 -1.49 114.58 116.34 1g3t h GLU 1105Ca -0.00 0.00 -0.06 0.00 0.07 0.00 0.00 59.36 59.37 1g3t h GLU 1105Cb 0.07 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.31 1g3t h GLU 1105CO 0.00 0.00 -0.90 0.45 0.07 0.00 0.00 179.01 178.64 1g3t h HIS 1106N 0.00 0.00 -0.14 2.06 3.86 -1.70 -3.38 115.15 115.85 1g3t h HIS 1106Ca 0.01 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.22 1g3t h HIS 1106Cb 0.05 0.00 0.00 0.00 1.06 0.00 0.00 27.41 28.52 1g3t h HIS 1106CO 0.00 0.21 0.00 1.33 0.86 0.00 0.00 177.93 180.33 1g3t n VAL 1107N -2.86 0.71 -3.42 2.45 0.24 -0.64 -4.99 118.33 109.81 1g3t n VAL 1107Ca -0.02 -0.85 -0.37 0.00 -2.04 0.00 0.00 64.34 61.06 1g3t n VAL 1107Cb 0.64 0.68 -0.07 0.00 -1.47 0.00 0.00 33.84 33.63 1g3t n VAL 1107CO 0.00 0.00 0.00 -0.32 -2.14 0.00 0.00 176.83 174.37 1g3t s MET 1108N -0.86 4.24 0.52 7.34 0.00 -0.71 -5.07 119.30 124.75 1g3t s MET 1108Ca 0.11 0.22 -0.06 0.00 0.00 0.00 0.00 55.69 55.96 1g3t s MET 1108Cb 0.06 -3.48 -0.03 0.00 0.00 0.00 0.00 34.83 31.39 1g3t s MET 1108CO 0.09 0.10 0.84 -1.54 0.00 0.00 0.00 175.02 174.50 1g3t s SER 1109N 0.76 6.17 0.24 1.11 1.04 -1.26 -4.95 113.70 116.81 1g3t s SER 1109Ca 0.20 0.98 -0.05 0.00 0.48 0.00 0.00 55.95 57.55 1g3t s SER 1109Cb -0.14 -2.21 0.36 0.00 0.10 0.00 0.00 66.02 64.12 1g3t s SER 1109CO 0.07 -0.68 1.83 0.44 0.98 0.00 0.00 173.24 175.88 1g3t h ASP 1110N 0.09 0.77 -0.77 7.02 3.32 -1.99 -0.32 116.42 124.53 1g3t h ASP 1110Ca -0.46 0.03 0.11 0.00 0.02 0.00 0.00 57.03 56.73 1g3t h ASP 1110Cb 1.21 -0.13 -0.08 0.00 0.22 0.00 0.00 39.33 40.55 1g3t h ASP 1110CO 0.62 0.47 0.40 -0.33 -1.72 0.00 0.00 179.24 178.67 1g3t h GLU 1111N 0.89 0.62 -0.46 3.56 3.07 -1.99 -0.06 114.58 120.21 1g3t h GLU 1111Ca 0.38 -0.04 -0.11 0.00 -0.50 0.00 0.00 59.36 59.10 1g3t h GLU 1111Cb 0.25 -0.14 -0.02 0.00 -0.84 0.00 0.00 28.75 28.00 1g3t h GLU 1111CO -0.20 0.41 -0.15 0.28 -1.40 0.00 0.00 179.01 177.95 1g3t h VAL 1112N 0.64 1.27 0.06 3.13 2.07 -1.46 -2.65 116.25 119.30 1g3t h VAL 1112Ca 0.39 -1.26 0.01 0.00 0.82 0.00 0.00 66.70 66.66 1g3t h VAL 1112Cb 0.45 1.06 -0.02 0.00 -1.52 0.00 0.00 31.29 31.27 1g3t h VAL 1112CO -0.29 0.43 -0.10 -0.33 0.02 0.00 0.00 177.57 177.30 1g3t h GLU 1113N 0.78 -0.19 -0.89 1.57 5.08 -0.16 -0.32 114.58 120.45 1g3t h GLU 1113Ca 0.12 0.01 0.05 0.00 -1.00 0.00 0.00 59.36 58.54 1g3t h GLU 1113Cb 0.67 0.04 -0.06 0.00 0.50 0.00 0.00 28.75 29.91 1g3t h GLU 1113CO 0.05 -0.13 0.57 0.00 -1.00 0.00 0.00 179.01 178.50 1g3t h ARG 1114N -0.20 1.03 -0.72 2.33 3.08 -1.07 0.12 114.38 118.94 1g3t h ARG 1114Ca 0.02 -0.06 0.01 0.00 0.07 0.00 0.00 59.98 60.01 1g3t h ARG 1114Cb 0.22 -0.23 -0.04 0.00 0.08 0.00 0.00 29.97 30.00 1g3t h ARG 1114CO -0.06 0.68 0.47 0.00 -1.07 0.00 0.00 179.97 179.99 1g3t h ARG 1115N 1.06 0.96 -0.10 0.04 2.47 -1.06 -1.59 114.38 116.17 1g3t h ARG 1115Ca 0.37 -0.06 -0.12 0.00 -1.26 0.00 0.00 59.98 58.91 1g3t h ARG 1115Cb 0.10 -0.21 -0.01 0.00 -1.65 0.00 0.00 29.97 28.19 1g3t h ARG 1115CO -0.15 0.64 -0.46 -0.07 0.56 0.00 0.00 179.97 180.49 1g3t h LEU 1116N 0.98 0.25 -0.87 3.04 3.38 -0.36 0.18 115.31 121.92 1g3t h LEU 1116Ca 0.26 -0.12 -0.03 0.00 0.09 0.00 0.00 57.88 58.09 1g3t h LEU 1116Cb -0.10 -0.07 -0.04 0.00 0.09 0.00 0.00 40.66 40.54 1g3t h LEU 1116CO -0.06 0.68 0.41 0.58 0.09 0.00 0.00 178.44 180.15 1g3t h VAL 1117N 0.19 1.26 -0.04 1.22 2.07 -0.50 0.30 116.25 120.76 1g3t h VAL 1117Ca 0.01 -0.73 -0.22 0.00 0.82 0.00 0.00 66.70 66.59 1g3t h VAL 1117Cb 0.89 0.16 0.00 0.00 -1.52 0.00 0.00 31.29 30.82 1g3t h VAL 1117CO 0.07 0.31 -0.87 0.11 0.02 0.00 0.00 177.57 177.22 1g3t h LYS 1118N 1.22 0.49 0.00 1.57 1.57 -0.74 -3.35 116.57 117.33 1g3t h LYS 1118Ca 0.29 -0.47 -0.23 0.00 -1.87 0.00 0.00 60.65 58.37 1g3t h LYS 1118Cb 0.12 0.12 -0.04 0.00 0.08 0.00 0.00 32.23 32.50 1g3t h LYS 1118CO -0.04 1.11 -1.52 -0.39 -0.57 0.00 0.00 179.45 178.04 1g3t h VAL 1119N 0.30 0.75 -3.99 0.50 -1.51 -0.35 -3.47 116.25 108.48 1g3t h VAL 1119Ca -0.07 -2.45 -0.49 0.00 -1.23 0.00 0.00 66.70 62.46 1g3t h VAL 1119Cb 1.49 2.29 0.04 0.00 -2.13 0.00 0.00 31.29 32.98 1g3t h VAL 1119CO 0.16 0.43 0.44 -0.76 -1.23 0.00 0.00 177.57 176.61 1g3t s LEU 1120N -6.01 4.05 0.19 4.19 1.43 0.10 -4.95 118.68 117.68 1g3t s LEU 1120Ca -0.03 2.16 -0.06 0.00 -1.03 0.00 0.00 54.13 55.16 1g3t s LEU 1120Cb 0.08 -4.25 0.11 0.00 0.03 0.00 0.00 46.19 42.16 1g3t s LEU 1120CO 0.82 -0.73 1.57 0.07 0.23 0.00 0.00 176.35 178.31 1g3t h LYS 1121N 2.19 0.81 -2.65 1.70 5.09 -1.89 -3.44 116.57 118.38 1g3t h LYS 1121Ca -0.49 -0.37 -0.13 0.00 0.09 0.00 0.00 60.65 59.75 1g3t h LYS 1121Cb 1.23 -0.02 -0.29 0.00 0.10 0.00 0.00 32.23 33.26 1g3t h LYS 1121CO 0.61 1.00 -0.40 0.34 -2.09 0.00 0.00 179.45 178.91 1g3t s ASP 1122N -6.79 -0.16 -0.36 7.07 2.15 -1.26 -5.03 116.67 112.29 1g3t s ASP 1122Ca -0.10 0.85 0.06 0.00 0.43 0.00 0.00 52.55 53.79 1g3t s ASP 1122Cb 0.12 1.04 0.46 0.00 -0.30 0.00 0.00 42.92 44.24 1g3t s ASP 1122CO 0.85 -0.22 1.39 1.33 -0.17 0.00 0.00 175.17 178.35 1g3t n VAL 1123N 5.11 2.74 -0.03 1.11 0.24 -1.26 -4.68 118.33 121.56 1g3t n VAL 1123Ca -0.12 -3.76 -0.15 0.00 -2.04 0.00 0.00 64.34 58.27 1g3t n VAL 1123Cb 0.51 -1.01 -0.12 0.00 -1.47 0.00 0.00 33.84 31.74 1g3t n VAL 1123CO 0.00 0.00 0.00 0.28 -2.14 0.00 0.00 176.83 174.97 1g3t h SER 1124N 1.96 0.20 -5.20 -1.34 0.02 -1.96 -3.39 113.55 103.84 1g3t h SER 1124Ca 0.39 -0.84 -0.10 0.00 -0.84 0.00 0.00 61.79 60.40 1g3t h SER 1124Cb 1.38 -0.06 -0.14 0.00 0.14 0.00 0.00 62.40 63.72 1g3t h SER 1124CO 0.85 1.01 -0.43 0.00 -1.14 0.00 0.00 176.83 177.13 1g3t s ARG 1125N -2.88 0.85 0.99 3.45 1.70 -1.26 -0.72 118.95 121.08 1g3t s ARG 1125Ca -0.16 -1.06 -0.13 0.00 -0.47 0.00 0.00 55.73 53.91 1g3t s ARG 1125Cb 0.00 0.32 0.18 0.00 -0.57 0.00 0.00 34.95 34.88 1g3t s ARG 1125CO 0.74 -0.26 1.11 -1.54 -1.08 0.00 0.00 175.30 174.27 1g3t s SER 1126N -2.90 2.71 0.56 -2.89 1.04 0.14 -4.82 113.70 107.55 1g3t s SER 1126Ca 0.08 1.06 0.29 0.00 0.48 0.00 0.00 55.95 57.87 1g3t s SER 1126Cb 0.05 -1.68 1.65 0.00 0.10 0.00 0.00 66.02 66.15 1g3t s SER 1126CO -0.09 -3.06 2.16 -0.65 0.98 0.00 0.00 173.24 172.58 1g3t h PRO 1127N -1.85 0.00 -0.33 4.02 0.11 -1.88 -2.46 132.00 129.62 1g3t h PRO 1127Ca -0.53 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.58 1g3t h PRO 1127Cb 1.33 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.44 1g3t h PRO 1127CO 0.58 0.06 0.00 1.19 -0.21 0.00 0.00 178.00 179.62 1g3t n PHE 1128N -3.68 0.30 0.00 0.65 3.72 -1.26 -4.93 117.46 112.26 1g3t n PHE 1128Ca -0.02 -0.14 0.00 0.00 -0.05 0.00 0.00 57.45 57.24 1g3t n PHE 1128Cb 0.17 -0.04 0.00 0.00 -0.94 0.00 0.00 39.48 38.67 1g3t n PHE 1128CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 1g3t n GLY 1129N 0.67 2.30 3.86 1.37 0.00 -0.92 -5.05 105.19 107.42 1g3t n GLY 1129Ca 0.06 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.74 1g3t n GLY 1129CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1g3t s ASN 1130N -1.85 6.71 0.70 1.61 -0.87 -1.26 -4.83 114.94 115.14 1g3t s ASN 1130Ca 0.00 0.94 -0.11 0.00 -1.57 0.00 0.00 52.86 52.12 1g3t s ASN 1130Cb 0.00 -2.23 0.01 0.00 -0.02 0.00 0.00 41.25 39.01 1g3t s ASN 1130CO 0.00 0.07 1.06 -2.16 -2.57 0.00 0.00 177.10 173.50 1g3t s PRO 1131N -2.23 2.88 -0.48 -0.60 0.04 -1.26 0.26 135.00 133.61 1g3t s PRO 1131Ca 0.40 1.01 -0.21 0.00 0.04 0.00 0.00 61.00 62.23 1g3t s PRO 1131Cb -0.13 -1.98 0.04 0.00 0.04 0.00 0.00 34.50 32.46 1g3t s PRO 1131CO 0.20 -1.15 0.70 0.42 0.04 0.00 0.00 177.00 177.21 1g3t s ILE 1132N -2.97 4.75 0.84 0.56 1.01 0.10 -4.70 121.20 120.78 1g3t s ILE 1132Ca 0.59 -0.03 -0.12 0.00 0.00 0.00 0.00 60.65 61.09 1g3t s ILE 1132Cb -0.15 -4.31 0.10 0.00 0.01 0.00 0.00 42.46 38.11 1g3t s ILE 1132CO 0.53 -0.77 1.14 -2.16 0.00 0.00 0.00 174.94 173.69 1g3t s PRO 1133N 3.00 1.73 -0.05 2.79 0.04 -1.26 -4.39 135.00 136.86 1g3t s PRO 1133Ca 0.22 0.29 0.00 0.00 0.04 0.00 0.00 61.00 61.56 1g3t s PRO 1133Cb -0.15 -1.91 0.00 0.00 0.04 0.00 0.00 34.50 32.48 1g3t s PRO 1133CO 0.17 -1.79 0.00 0.41 0.04 0.00 0.00 177.00 175.83 1g3t n GLY 1134N -2.66 0.09 0.28 0.56 0.00 -1.26 -4.47 105.19 97.73 1g3t n GLY 1134Ca 0.07 -0.00 0.10 0.00 0.00 0.00 0.00 46.02 46.19 1g3t n GLY 1134CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 1g3t h LEU 1135N 0.00 0.00 -0.17 0.99 3.38 -1.91 -0.07 115.31 117.53 1g3t h LEU 1135Ca -0.01 0.00 -0.18 0.00 0.09 0.00 0.00 57.88 57.78 1g3t h LEU 1135Cb 0.92 0.00 0.01 0.00 0.09 0.00 0.00 40.66 41.68 1g3t h LEU 1135CO 0.01 0.00 -0.58 0.44 0.09 0.00 0.00 178.44 178.41 1g3t h ASP 1136N 0.00 0.81 0.42 -0.43 3.32 -1.89 -0.86 116.42 117.78 1g3t h ASP 1136Ca 0.02 -0.60 -0.05 0.00 0.02 0.00 0.00 57.03 56.41 1g3t h ASP 1136Cb 0.08 -0.24 -0.01 0.00 0.22 0.00 0.00 39.33 39.38 1g3t h ASP 1136CO -0.00 1.27 -0.26 -0.33 -1.72 0.00 0.00 179.24 178.20 1g3t h GLU 1137N 0.39 0.00 -0.04 3.56 3.07 -1.41 -0.13 114.58 120.01 1g3t h GLU 1137Ca -0.02 0.00 -0.15 0.00 -0.50 0.00 0.00 59.36 58.69 1g3t h GLU 1137Cb 1.20 0.00 -0.01 0.00 -0.84 0.00 0.00 28.75 29.10 1g3t h GLU 1137CO 0.12 0.26 -0.65 1.25 -1.40 0.00 0.00 179.01 178.59 1g3t h LEU 1138N 0.00 0.20 -0.38 1.33 5.85 -1.01 -3.47 115.31 117.83 1g3t h LEU 1138Ca -0.00 -0.13 0.00 0.00 0.84 0.00 0.00 57.88 58.59 1g3t h LEU 1138Cb 0.54 -0.06 0.00 0.00 0.37 0.00 0.00 40.66 41.51 1g3t h LEU 1138CO 0.03 0.80 0.00 0.61 -0.34 0.00 0.00 178.44 179.54 1g3t n GLY 1139N 0.36 0.62 0.00 3.75 0.00 -0.06 -5.02 105.19 104.84 1g3t n GLY 1139Ca -0.02 -0.12 0.00 0.00 0.00 0.00 0.00 46.02 45.88 1g3t n GLY 1139CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65