#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2gr7 h VAL 999 N 0.00 1.42 -0.34 0.00 2.07 -2.05 -3.21 116.25 114.14 2gr7 h VAL 999 Ca 0.00 -2.68 -0.05 0.00 0.82 0.00 0.00 66.70 64.79 2gr7 h VAL 999 Cb 0.00 2.65 -0.02 0.00 -1.52 0.00 0.00 31.29 32.40 2gr7 h VAL 999 CO 0.00 0.79 -0.01 0.00 0.02 0.00 0.00 177.57 178.37 2gr7 h ALA 1000N 0.63 1.35 0.31 1.67 0.00 -2.05 -0.78 119.26 120.39 2gr7 h ALA 1000Ca -0.11 -0.21 -0.02 0.00 0.00 0.00 0.00 54.91 54.57 2gr7 h ALA 1000Cb 1.77 -0.15 0.00 0.00 0.00 0.00 0.00 17.79 19.41 2gr7 h ALA 1000CO 0.19 0.45 -0.15 1.57 0.00 0.00 0.00 179.25 181.30 2gr7 h LYS 1001N 0.50 -0.40 0.00 0.00 2.10 -1.99 -2.29 116.57 114.49 2gr7 h LYS 1001Ca 0.11 0.03 0.00 0.00 -2.00 0.00 0.00 60.65 58.78 2gr7 h LYS 1001Cb 0.35 0.09 0.00 0.00 -0.90 0.00 0.00 32.23 31.77 2gr7 h LYS 1001CO 0.01 -0.27 0.00 0.41 -2.00 0.00 0.00 179.45 177.60 2gr7 n GLY 1002N 0.05 1.29 0.11 0.07 0.00 -1.23 -0.07 105.19 105.42 2gr7 n GLY 1002Ca -0.05 0.22 -0.01 0.00 0.00 0.00 0.00 46.02 46.17 2gr7 n GLY 1002CO 0.00 0.00 0.00 -2.08 0.00 0.00 0.00 173.32 171.24 2gr7 h VAL 1003N 0.00 1.21 -0.31 1.61 2.07 -1.10 -2.66 116.25 117.07 2gr7 h VAL 1003Ca 0.00 -2.59 -0.18 0.00 0.82 0.00 0.00 66.70 64.75 2gr7 h VAL 1003Cb 0.00 2.52 -0.00 0.00 -1.52 0.00 0.00 31.29 32.29 2gr7 h VAL 1003CO 0.00 0.67 -0.51 0.74 0.02 0.00 0.00 177.57 178.49 2gr7 h THR 1004N 0.00 1.27 0.00 2.57 2.02 -0.80 -2.02 112.91 115.96 2gr7 h THR 1004Ca -0.01 -1.69 -0.08 0.00 0.77 0.00 0.00 66.41 65.41 2gr7 h THR 1004Cb 1.47 1.58 -0.01 0.00 -1.74 0.00 0.00 68.15 69.45 2gr7 h THR 1004CO 0.09 0.55 -0.36 0.78 0.37 0.00 0.00 175.52 176.95 2gr7 h ASN 1005N 0.68 0.00 -0.15 4.18 -0.26 -0.51 -2.33 115.58 117.19 2gr7 h ASN 1005Ca 0.02 0.00 -0.18 0.00 -0.56 0.00 0.00 56.30 55.58 2gr7 h ASN 1005Cb 1.12 0.00 -0.00 0.00 -1.06 0.00 0.00 38.32 38.38 2gr7 h ASN 1005CO 0.12 0.36 -0.58 0.25 -1.06 0.00 0.00 177.43 176.52 2gr7 h LEU 1006N 0.00 0.84 -0.36 1.61 5.85 -1.32 -2.14 115.31 119.79 2gr7 h LEU 1006Ca -0.00 -0.47 -0.18 0.00 0.84 0.00 0.00 57.88 58.07 2gr7 h LEU 1006Cb 0.87 -0.24 -0.00 0.00 0.37 0.00 0.00 40.66 41.66 2gr7 h LEU 1006CO 0.05 1.24 -0.59 0.00 -0.34 0.00 0.00 178.44 178.79 2gr7 h ALA 1007N 0.77 0.53 -0.41 1.25 0.00 -1.26 -2.03 119.26 118.12 2gr7 h ALA 1007Ca 0.00 -0.53 0.06 0.00 0.00 0.00 0.00 54.91 54.44 2gr7 h ALA 1007Cb 1.17 -0.07 -0.05 0.00 0.00 0.00 0.00 17.79 18.84 2gr7 h ALA 1007CO 0.12 0.69 0.11 0.78 0.00 0.00 0.00 179.25 180.95 2gr7 h GLY 1008N 0.84 0.51 1.20 0.00 0.00 -1.50 -2.50 103.07 101.62 2gr7 h GLY 1008Ca 0.00 -0.05 -0.01 0.00 0.00 0.00 0.00 47.33 47.27 2gr7 h GLY 1008CO 0.12 -0.01 0.45 -1.61 0.00 0.00 0.00 176.54 175.49 2gr7 h GLN 1009N 0.26 1.05 -0.25 4.80 4.15 -1.09 -1.43 115.11 122.60 2gr7 h GLN 1009Ca 0.20 -0.10 -0.17 0.00 0.77 0.00 0.00 58.65 59.34 2gr7 h GLN 1009Cb 0.21 -0.22 -0.00 0.00 0.21 0.00 0.00 27.48 27.68 2gr7 h GLN 1009CO -0.23 0.75 -0.52 0.28 -1.93 0.00 0.00 178.83 177.18 2gr7 h VAL 1010N 1.07 1.29 -0.35 2.39 2.07 -1.30 -1.62 116.25 119.80 2gr7 h VAL 1010Ca 0.28 -1.73 -0.13 0.00 0.82 0.00 0.00 66.70 65.94 2gr7 h VAL 1010Cb -0.02 1.66 -0.01 0.00 -1.52 0.00 0.00 31.29 31.40 2gr7 h VAL 1010CO -0.05 0.55 -0.29 0.78 0.02 0.00 0.00 177.57 178.58 2gr7 h ASN 1011N 0.57 0.76 0.11 0.57 2.35 -1.19 -1.54 115.58 117.21 2gr7 h ASN 1011Ca 0.02 -0.30 -0.08 0.00 -0.55 0.00 0.00 56.30 55.39 2gr7 h ASN 1011Cb 1.10 -0.21 -0.01 0.00 0.05 0.00 0.00 38.32 39.25 2gr7 h ASN 1011CO 0.11 1.01 -0.28 0.78 -1.65 0.00 0.00 177.43 177.40 2gr7 h ASN 1012N 0.63 0.27 0.30 5.81 4.21 -1.21 -2.95 115.58 122.64 2gr7 h ASN 1012Ca 0.07 -0.09 -0.18 0.00 1.21 0.00 0.00 56.30 57.32 2gr7 h ASN 1012Cb 0.81 -0.07 -0.01 0.00 -1.12 0.00 0.00 38.32 37.93 2gr7 h ASN 1012CO 0.07 0.55 -0.73 0.25 -1.29 0.00 0.00 177.43 176.28 2gr7 h LEU 1013N 0.24 0.44 -0.33 1.61 5.85 -1.08 -2.09 115.31 119.95 2gr7 h LEU 1013Ca 0.04 -0.29 0.06 0.00 0.84 0.00 0.00 57.88 58.52 2gr7 h LEU 1013Cb 0.62 -0.13 -0.05 0.00 0.37 0.00 0.00 40.66 41.47 2gr7 h LEU 1013CO 0.04 1.03 -0.00 -0.08 -0.34 0.00 0.00 178.44 179.09 2gr7 h GLU 1014N 0.25 0.09 -0.08 1.25 4.57 -1.16 0.10 114.58 119.60 2gr7 h GLU 1014Ca -0.03 -0.01 -0.12 0.00 -1.18 0.00 0.00 59.36 58.02 2gr7 h GLU 1014Cb 1.31 -0.02 -0.01 0.00 -0.16 0.00 0.00 28.75 29.86 2gr7 h GLU 1014CO 0.12 0.06 -0.51 0.78 -1.18 0.00 0.00 179.01 178.28 2gr7 h GLY 1015N 0.09 0.22 1.19 1.92 0.00 -1.49 -2.91 103.07 102.09 2gr7 h GLY 1015Ca 0.16 -0.24 -0.18 0.00 0.00 0.00 0.00 47.33 47.06 2gr7 h GLY 1015CO -0.27 0.22 -0.55 1.70 0.00 0.00 0.00 176.54 177.65 2gr7 h LYS 1016N 0.16 0.85 -0.73 4.80 3.64 -0.97 -2.22 116.57 122.11 2gr7 h LYS 1016Ca 0.00 -0.54 0.02 0.00 -1.27 0.00 0.00 60.65 58.86 2gr7 h LYS 1016Cb 0.96 0.06 -0.04 0.00 -0.41 0.00 0.00 32.23 32.81 2gr7 h LYS 1016CO 0.08 1.17 0.47 0.28 -2.27 0.00 0.00 179.45 179.19 2gr7 h VAL 1017N 0.66 1.16 -0.76 2.00 2.07 -0.79 0.62 116.25 121.20 2gr7 h VAL 1017Ca 0.01 -0.33 -0.02 0.00 0.82 0.00 0.00 66.70 67.18 2gr7 h VAL 1017Cb 1.15 0.12 -0.04 0.00 -1.52 0.00 0.00 31.29 31.01 2gr7 h VAL 1017CO 0.12 0.17 0.37 0.78 0.02 0.00 0.00 177.57 179.04 2gr7 h ASN 1018N 0.95 0.97 -0.14 0.57 4.21 -1.47 -1.35 115.58 119.33 2gr7 h ASN 1018Ca 0.28 -0.10 -0.03 0.00 1.21 0.00 0.00 56.30 57.66 2gr7 h ASN 1018Cb -0.07 -0.25 -0.00 0.00 -1.12 0.00 0.00 38.32 36.88 2gr7 h ASN 1018CO -0.08 0.81 -0.01 0.50 -1.29 0.00 0.00 177.43 177.36 2gr7 h LYS 1019N 1.07 0.25 -0.67 0.81 3.64 -1.06 -1.62 116.57 119.00 2gr7 h LYS 1019Ca 0.26 -0.09 0.08 0.00 -1.27 0.00 0.00 60.65 59.64 2gr7 h LYS 1019Cb 0.09 -0.02 -0.07 0.00 -0.41 0.00 0.00 32.23 31.83 2gr7 h LYS 1019CO -0.04 0.51 0.33 0.28 -2.27 0.00 0.00 179.45 178.27 2gr7 h VAL 1020N -0.03 0.87 -0.32 2.00 2.07 -0.69 0.66 116.25 120.81 2gr7 h VAL 1020Ca 0.04 -0.20 0.02 0.00 0.82 0.00 0.00 66.70 67.37 2gr7 h VAL 1020Cb 0.41 0.24 -0.02 0.00 -1.52 0.00 0.00 31.29 30.39 2gr7 h VAL 1020CO 0.01 0.11 0.18 1.23 0.02 0.00 0.00 177.57 179.11 2gr7 h GLY 1021N 0.58 0.44 0.98 2.17 0.00 -1.18 0.48 103.07 106.54 2gr7 h GLY 1021Ca 0.32 -0.13 0.01 0.00 0.00 0.00 0.00 47.33 47.53 2gr7 h GLY 1021CO -0.25 0.11 0.44 0.50 0.00 0.00 0.00 176.54 177.35 2gr7 h LYS 1022N 0.37 0.87 -0.36 4.80 1.57 -0.73 -0.59 116.57 122.50 2gr7 h LYS 1022Ca 0.13 -0.05 -0.07 0.00 -1.87 0.00 0.00 60.65 58.78 2gr7 h LYS 1022Cb 0.01 -0.20 -0.02 0.00 0.08 0.00 0.00 32.23 32.11 2gr7 h LYS 1022CO -0.07 0.58 -0.09 0.00 -0.57 0.00 0.00 179.45 179.30 2gr7 h ARG 1023N 0.90 0.61 0.12 3.15 2.47 -0.66 -0.98 114.38 119.99 2gr7 h ARG 1023Ca 0.25 -0.18 -0.01 0.00 -1.26 0.00 0.00 59.98 58.79 2gr7 h ARG 1023Cb -0.08 -0.07 0.00 0.00 -1.65 0.00 0.00 29.97 28.17 2gr7 h ARG 1023CO -0.06 0.70 -0.06 0.00 0.56 0.00 0.00 179.97 181.11 2gr7 h ALA 1024N 1.34 -0.17 -0.85 0.04 0.00 -0.42 -0.87 119.26 118.33 2gr7 h ALA 1024Ca 0.11 -0.10 0.06 0.00 0.00 0.00 0.00 54.91 54.98 2gr7 h ALA 1024Cb 0.50 0.06 -0.06 0.00 0.00 0.00 0.00 17.79 18.29 2gr7 h ALA 1024CO 0.03 -0.53 0.53 -0.44 0.00 0.00 0.00 179.25 178.84 2gr7 h ASP 1025N -0.30 0.84 -0.50 0.00 3.32 -1.00 -2.48 116.42 116.30 2gr7 h ASP 1025Ca -0.02 0.01 -0.04 0.00 0.02 0.00 0.00 57.03 57.01 2gr7 h ASP 1025Cb 0.25 -0.16 -0.02 0.00 0.22 0.00 0.00 39.33 39.61 2gr7 h ASP 1025CO 0.03 0.55 0.16 0.00 -1.72 0.00 0.00 179.24 178.26 2gr7 h ALA 1026N 1.39 0.66 -0.30 3.45 0.00 -1.02 -0.97 119.26 122.47 2gr7 h ALA 1026Ca 0.36 -0.18 0.00 0.00 0.00 0.00 0.00 54.91 55.09 2gr7 h ALA 1026Cb 0.14 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 17.72 2gr7 h ALA 1026CO -0.16 0.31 0.20 0.78 0.00 0.00 0.00 179.25 180.37 2gr7 h GLY 1027N 0.68 0.42 0.77 0.00 0.00 -0.94 -1.22 103.07 102.79 2gr7 h GLY 1027Ca 0.16 -0.16 0.03 0.00 0.00 0.00 0.00 47.33 47.36 2gr7 h GLY 1027CO -0.01 0.16 0.16 -0.84 0.00 0.00 0.00 176.54 176.01 2gr7 h THR 1028N 0.41 0.95 -0.57 4.70 2.02 -1.34 -1.51 112.91 117.56 2gr7 h THR 1028Ca 0.11 -0.12 0.11 0.00 0.77 0.00 0.00 66.41 67.28 2gr7 h THR 1028Cb -0.04 0.58 -0.09 0.00 -1.74 0.00 0.00 68.15 66.87 2gr7 h THR 1028CO -0.02 0.06 0.08 0.00 0.37 0.00 0.00 175.52 176.01 2gr7 h ALA 1029N 1.21 0.63 -0.22 6.16 0.00 -0.95 0.10 119.26 126.18 2gr7 h ALA 1029Ca 0.16 0.14 0.04 0.00 0.00 0.00 0.00 54.91 55.25 2gr7 h ALA 1029Cb 0.09 0.21 -0.04 0.00 0.00 0.00 0.00 17.79 18.05 2gr7 h ALA 1029CO -0.13 -0.34 -0.03 0.77 0.00 0.00 0.00 179.25 179.53 2gr7 h SER 1030N 0.21 -0.15 0.02 0.00 0.02 -0.82 -1.72 113.55 111.11 2gr7 h SER 1030Ca 0.29 0.06 -0.10 0.00 -0.84 0.00 0.00 61.79 61.20 2gr7 h SER 1030Cb 0.44 0.11 -0.01 0.00 0.14 0.00 0.00 62.40 63.08 2gr7 h SER 1030CO -0.41 -0.04 -0.30 0.00 -1.14 0.00 0.00 176.83 174.94 2gr7 h ALA 1031N 1.21 1.10 -0.63 3.77 0.00 -0.72 -1.64 119.26 122.34 2gr7 h ALA 1031Ca 0.11 -0.36 -0.06 0.00 0.00 0.00 0.00 54.91 54.60 2gr7 h ALA 1031Cb 0.15 -0.11 -0.03 0.00 0.00 0.00 0.00 17.79 17.80 2gr7 h ALA 1031CO -0.20 0.56 0.17 -0.07 0.00 0.00 0.00 179.25 179.71 2gr7 h LEU 1032N 0.37 0.92 -0.20 0.00 3.38 -0.66 -1.39 115.31 117.73 2gr7 h LEU 1032Ca 0.05 -0.17 -0.04 0.00 0.09 0.00 0.00 57.88 57.80 2gr7 h LEU 1032Cb 0.71 -0.24 -0.01 0.00 0.09 0.00 0.00 40.66 41.21 2gr7 h LEU 1032CO 0.05 0.88 -0.05 0.00 0.09 0.00 0.00 178.44 179.42 2gr7 h ALA 1033N 1.23 0.27 -0.38 1.53 0.00 -1.00 -3.09 119.26 117.82 2gr7 h ALA 1033Ca 0.20 -0.25 -0.05 0.00 0.00 0.00 0.00 54.91 54.81 2gr7 h ALA 1033Cb 0.31 -0.07 -0.02 0.00 0.00 0.00 0.00 17.79 18.02 2gr7 h ALA 1033CO -0.00 0.05 0.01 0.00 0.00 0.00 0.00 179.25 179.31 2gr7 h ALA 1034N 0.73 1.30 0.00 0.00 0.00 -1.25 -2.23 119.26 117.82 2gr7 h ALA 1034Ca 0.05 -0.21 -0.00 0.00 0.00 0.00 0.00 54.91 54.74 2gr7 h ALA 1034Cb 0.50 -0.16 -0.00 0.00 0.00 0.00 0.00 17.79 18.12 2gr7 h ALA 1034CO 0.02 0.47 -0.02 0.66 0.00 0.00 0.00 179.25 180.38 2gr7 h SER 1035N 0.57 0.00 -0.28 0.00 4.64 -1.21 -2.67 113.55 114.61 2gr7 h SER 1035Ca 0.12 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.44 2gr7 h SER 1035Cb 0.35 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.44 2gr7 h SER 1035CO 0.01 0.02 0.00 0.00 -0.87 0.00 0.00 176.83 175.99 2gr7 n GLN 1036N -3.18 2.35 -2.00 4.77 1.13 -0.85 -4.91 117.38 114.69 2gr7 n GLN 1036Ca -0.01 -2.13 -0.42 0.00 -1.94 0.00 0.00 57.00 52.50 2gr7 n GLN 1036Cb 0.20 -1.47 -0.03 0.00 0.11 0.00 0.00 30.24 29.05 2gr7 n GLN 1036CO 0.00 0.00 0.00 -0.51 -1.44 0.00 0.00 177.06 175.11 2gr7 s LEU 1037N -1.54 4.33 0.70 1.08 1.43 -1.01 -4.91 118.68 118.77 2gr7 s LEU 1037Ca 0.34 2.25 -0.16 0.00 -1.03 0.00 0.00 54.13 55.53 2gr7 s LEU 1037Cb 0.21 -3.54 0.02 0.00 0.03 0.00 0.00 46.19 42.92 2gr7 s LEU 1037CO 0.29 -0.92 1.21 -2.84 0.23 0.00 0.00 176.35 174.33 2gr7 s PRO 1038N 3.94 2.30 0.01 1.29 0.02 -1.26 -5.05 135.00 136.24 2gr7 s PRO 1038Ca 0.73 1.78 0.03 0.00 0.02 0.00 0.00 61.00 63.57 2gr7 s PRO 1038Cb -0.34 -1.85 -0.03 0.00 0.02 0.00 0.00 34.50 32.30 2gr7 s PRO 1038CO 0.30 -1.72 -0.04 -1.14 -0.33 0.00 0.00 177.00 174.06 2gr7 s GLN 1039N -3.80 2.61 0.57 5.54 0.74 -1.26 -4.83 119.66 119.23 2gr7 s GLN 1039Ca 0.75 -0.70 -0.19 0.00 0.05 0.00 0.00 55.36 55.26 2gr7 s GLN 1039Cb -0.30 -2.55 -0.06 0.00 1.10 0.00 0.00 33.01 31.21 2gr7 s GLN 1039CO 0.43 0.60 1.00 0.00 -0.55 0.00 0.00 175.29 176.77 2gr7 n ALA 1040N 1.42 0.28 -0.02 1.58 0.00 -1.26 -4.95 120.51 117.55 2gr7 n ALA 1040Ca -0.15 0.04 0.00 0.00 0.00 0.00 0.00 53.44 53.34 2gr7 n ALA 1040Cb 0.53 -2.12 0.00 0.00 0.00 0.00 0.00 19.45 17.85 2gr7 n ALA 1040CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.50 177.75 2gr7 n THR 1041N -1.51 0.00 -4.88 0.00 -2.24 -1.26 -4.92 114.28 99.47 2gr7 n THR 1041Ca 0.13 -0.39 -0.33 0.00 -2.27 0.00 0.00 64.05 61.19 2gr7 n THR 1041Cb 0.46 1.02 -0.14 0.00 -2.10 0.00 0.00 70.33 69.57 2gr7 n THR 1041CO 0.00 0.00 0.00 -0.04 -0.57 0.00 0.00 175.07 174.46 2gr7 s MET 1042N -0.70 2.87 0.33 -0.78 -1.94 -1.26 -5.09 119.30 112.73 2gr7 s MET 1042Ca 0.00 -0.71 -0.28 0.00 -1.71 0.00 0.00 55.69 52.98 2gr7 s MET 1042Cb 0.00 -2.46 -0.12 0.00 2.01 0.00 0.00 34.83 34.26 2gr7 s MET 1042CO 0.00 0.43 1.29 -2.30 -0.01 0.00 0.00 175.02 174.43 2gr7 n PRO 1043N 2.87 2.09 -0.95 2.03 -0.02 -1.26 -2.06 135.00 137.70 2gr7 n PRO 1043Ca -0.18 0.73 0.00 0.00 -2.02 0.00 0.00 63.50 62.04 2gr7 n PRO 1043Cb 0.52 -2.31 0.00 0.00 -0.02 0.00 0.00 33.50 31.69 2gr7 n PRO 1043CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2gr7 n GLY 1044N 0.88 0.97 3.79 -1.23 0.00 -0.65 -4.87 105.19 104.09 2gr7 n GLY 1044Ca 0.05 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.77 2gr7 n GLY 1044CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2gr7 s LYS 1045N -0.06 2.94 0.09 1.61 1.02 -0.88 -4.90 119.74 119.56 2gr7 s LYS 1045Ca 0.00 -0.66 0.03 0.00 0.02 0.00 0.00 55.97 55.36 2gr7 s LYS 1045Cb 0.00 -2.76 -0.04 0.00 -0.52 0.00 0.00 37.83 34.51 2gr7 s LYS 1045CO 0.00 0.57 0.10 -1.12 -0.92 0.00 0.00 175.35 173.98 2gr7 s SER 1046N -2.38 5.61 0.00 2.83 0.01 -1.26 -1.98 113.70 116.52 2gr7 s SER 1046Ca 0.30 0.00 0.05 0.00 1.31 0.00 0.00 55.95 57.61 2gr7 s SER 1046Cb -0.12 -1.52 -0.02 0.00 0.21 0.00 0.00 66.02 64.57 2gr7 s SER 1046CO 0.22 0.16 -0.16 -0.32 0.41 0.00 0.00 173.24 173.55 2gr7 s MET 1047N -2.50 1.27 -0.08 12.44 1.75 0.05 -4.98 119.30 127.25 2gr7 s MET 1047Ca 0.30 -0.65 0.00 0.00 -1.25 0.00 0.00 55.69 54.10 2gr7 s MET 1047Cb -0.12 -1.25 -0.03 0.00 2.84 0.00 0.00 34.83 36.27 2gr7 s MET 1047CO 0.23 0.34 -0.07 0.14 -0.65 0.00 0.00 175.02 175.01 2gr7 s VAL 1048N -0.49 3.69 0.05 10.11 -7.23 -1.26 -1.79 120.40 123.48 2gr7 s VAL 1048Ca 0.06 -0.47 0.01 0.00 -1.81 0.00 0.00 61.98 59.77 2gr7 s VAL 1048Cb -0.07 -2.53 -0.03 0.00 0.56 0.00 0.00 36.38 34.32 2gr7 s VAL 1048CO -0.00 0.58 -0.06 0.00 -0.31 0.00 0.00 175.10 175.30 2gr7 s ALA 1049N -0.57 0.57 0.02 1.32 0.00 -0.02 -5.00 121.76 118.08 2gr7 s ALA 1049Ca 0.09 -0.88 0.01 0.00 0.00 0.00 0.00 51.96 51.18 2gr7 s ALA 1049Cb -0.12 0.10 -0.01 0.00 0.00 0.00 0.00 23.12 23.09 2gr7 s ALA 1049CO 0.02 -0.11 -0.04 -1.50 0.00 0.00 0.00 175.76 174.13 2gr7 s ILE 1050N -2.00 0.21 0.00 0.00 2.07 -1.26 -1.42 121.20 118.81 2gr7 s ILE 1050Ca -0.06 -0.62 -0.09 0.00 -1.41 0.00 0.00 60.65 58.47 2gr7 s ILE 1050Cb -0.06 -0.28 0.00 0.00 0.13 0.00 0.00 42.46 42.26 2gr7 s ILE 1050CO -0.02 -0.27 0.17 0.00 -1.91 0.00 0.00 174.94 172.91 2gr7 s ALA 1051N -0.90 -0.40 0.15 1.50 0.00 -0.37 -4.84 121.76 116.89 2gr7 s ALA 1051Ca -0.08 -0.06 0.06 0.00 0.00 0.00 0.00 51.96 51.87 2gr7 s ALA 1051Cb -0.06 0.11 -0.04 0.00 0.00 0.00 0.00 23.12 23.12 2gr7 s ALA 1051CO -0.00 -0.22 -0.13 0.20 0.00 0.00 0.00 175.76 175.61 2gr7 s GLY 1052N -1.39 1.14 0.23 0.00 0.00 -1.26 -1.46 107.32 104.59 2gr7 s GLY 1052Ca -0.15 -1.43 -0.14 0.00 0.00 0.00 0.00 44.72 43.01 2gr7 s GLY 1052CO 0.02 -1.51 0.49 -1.35 0.00 0.00 0.00 173.10 170.76 2gr7 s SER 1053N -2.84 -0.13 -0.06 1.64 1.04 -0.80 -4.67 113.70 107.88 2gr7 s SER 1053Ca 0.14 -0.81 -0.02 0.00 0.48 0.00 0.00 55.95 55.73 2gr7 s SER 1053Cb -0.02 0.59 0.04 0.00 0.10 0.00 0.00 66.02 66.73 2gr7 s SER 1053CO 0.03 -1.13 0.11 -0.55 0.98 0.00 0.00 173.24 172.69 2gr7 s SER 1054N -2.98 0.27 -0.18 7.02 0.15 -1.26 -1.74 113.70 114.99 2gr7 s SER 1054Ca 0.19 0.22 -0.04 0.00 0.70 0.00 0.00 55.95 57.02 2gr7 s SER 1054Cb -0.01 0.11 0.08 0.00 -1.71 0.00 0.00 66.02 64.49 2gr7 s SER 1054CO 0.06 -0.18 0.19 -0.47 1.20 0.00 0.00 173.24 174.04 2gr7 s TYR 1055N 1.53 -0.17 -1.37 3.44 5.04 0.63 -4.96 117.35 121.50 2gr7 s TYR 1055Ca -0.05 0.17 -0.07 0.00 -2.44 0.00 0.00 57.07 54.68 2gr7 s TYR 1055Cb -0.12 -0.41 0.03 0.00 0.35 0.00 0.00 41.96 41.80 2gr7 s TYR 1055CO -0.05 -0.54 1.01 1.04 -1.34 0.00 0.00 175.55 175.67 2gr7 n GLN 1056N 5.31 -6.51 -0.64 4.97 1.13 -1.26 -1.66 117.38 118.73 2gr7 n GLN 1056Ca -0.06 0.73 0.00 0.00 -1.94 0.00 0.00 57.00 55.74 2gr7 n GLN 1056Cb 0.49 -5.65 0.00 0.00 0.11 0.00 0.00 30.24 25.19 2gr7 n GLN 1056CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 2gr7 n GLY 1057N -1.67 1.21 3.65 1.08 0.00 -1.26 -5.02 105.19 103.18 2gr7 n GLY 1057Ca -0.10 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.63 2gr7 n GLY 1057CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 2gr7 s GLN 1058N -0.20 2.38 0.10 1.61 -1.52 -0.66 -5.09 119.66 116.29 2gr7 s GLN 1058Ca 0.00 -0.93 0.06 0.00 -1.95 0.00 0.00 55.36 52.54 2gr7 s GLN 1058Cb 0.00 -2.44 -0.04 0.00 -0.22 0.00 0.00 33.01 30.31 2gr7 s GLN 1058CO 0.00 0.52 -0.06 -0.80 -0.25 0.00 0.00 175.29 174.70 2gr7 s ASN 1059N -2.34 4.62 0.20 5.90 0.01 -1.26 -0.27 114.94 121.80 2gr7 s ASN 1059Ca 0.24 -0.32 0.11 0.00 -0.71 0.00 0.00 52.86 52.18 2gr7 s ASN 1059Cb -0.11 -0.96 -0.04 0.00 0.41 0.00 0.00 41.25 40.54 2gr7 s ASN 1059CO 0.17 0.17 -0.22 -0.83 -1.51 0.00 0.00 177.10 174.88 2gr7 s GLY 1060N -2.29 1.66 -0.06 0.66 0.00 -0.71 -1.90 107.32 104.67 2gr7 s GLY 1060Ca 0.23 -1.65 -0.03 0.00 0.00 0.00 0.00 44.72 43.28 2gr7 s GLY 1060CO 0.16 -1.69 0.13 -2.27 0.00 0.00 0.00 173.10 169.43 2gr7 s LEU 1061N -2.83 0.80 0.01 0.66 2.96 -0.65 -1.91 118.68 117.72 2gr7 s LEU 1061Ca 0.21 0.27 0.03 0.00 -0.22 0.00 0.00 54.13 54.42 2gr7 s LEU 1061Cb -0.07 0.31 -0.01 0.00 0.50 0.00 0.00 46.19 46.92 2gr7 s LEU 1061CO 0.10 -0.14 -0.11 0.00 -1.32 0.00 0.00 176.35 174.88 2gr7 s ALA 1062N 1.12 0.87 -0.02 5.97 0.00 -0.54 -0.60 121.76 128.57 2gr7 s ALA 1062Ca -0.09 -0.56 0.07 0.00 0.00 0.00 0.00 51.96 51.39 2gr7 s ALA 1062Cb -0.11 -0.17 -0.02 0.00 0.00 0.00 0.00 23.12 22.82 2gr7 s ALA 1062CO -0.05 0.18 -0.23 0.42 0.00 0.00 0.00 175.76 176.08 2gr7 s ILE 1063N -0.50 1.79 0.01 0.00 1.01 -0.61 -1.24 121.20 121.66 2gr7 s ILE 1063Ca 0.02 -0.97 -0.00 0.00 0.00 0.00 0.00 60.65 59.70 2gr7 s ILE 1063Cb -0.05 -1.49 -0.01 0.00 0.01 0.00 0.00 42.46 40.92 2gr7 s ILE 1063CO 0.00 0.51 -0.01 -0.83 0.00 0.00 0.00 174.94 174.60 2gr7 s GLY 1064N -0.53 0.14 0.14 6.18 0.00 -0.51 -1.42 107.32 111.32 2gr7 s GLY 1064Ca 0.09 -0.35 0.10 0.00 0.00 0.00 0.00 44.72 44.56 2gr7 s GLY 1064CO -0.01 -0.39 -0.21 -1.34 0.00 0.00 0.00 173.10 171.16 2gr7 s VAL 1065N -0.88 2.64 0.08 1.40 -7.23 0.45 -0.84 120.40 116.03 2gr7 s VAL 1065Ca -0.10 -1.68 -0.07 0.00 -1.81 0.00 0.00 61.98 58.33 2gr7 s VAL 1065Cb -0.06 -2.22 -0.01 0.00 0.56 0.00 0.00 36.38 34.64 2gr7 s VAL 1065CO -0.01 0.04 0.14 -0.94 -0.31 0.00 0.00 175.10 174.02 2gr7 s SER 1066N -2.29 0.21 -0.22 4.85 1.04 -0.74 -0.40 113.70 116.15 2gr7 s SER 1066Ca 0.18 -0.76 -0.21 0.00 0.48 0.00 0.00 55.95 55.64 2gr7 s SER 1066Cb -0.10 0.31 0.06 0.00 0.10 0.00 0.00 66.02 66.39 2gr7 s SER 1066CO 0.10 -0.71 0.60 -0.60 0.98 0.00 0.00 173.24 173.61 2gr7 s ARG 1067N -3.88 0.71 -0.12 4.02 3.52 -0.76 -0.77 118.95 121.67 2gr7 s ARG 1067Ca 0.06 0.81 -0.03 0.00 -0.13 0.00 0.00 55.73 56.44 2gr7 s ARG 1067Cb 0.06 0.35 -0.03 0.00 -1.56 0.00 0.00 34.95 33.76 2gr7 s ARG 1067CO -0.10 -0.09 0.01 0.42 -0.81 0.00 0.00 175.30 174.73 2gr7 s ILE 1068N 0.26 4.35 0.81 4.11 1.01 -0.84 -1.64 121.20 129.26 2gr7 s ILE 1068Ca -0.00 -0.22 -0.13 0.00 0.00 0.00 0.00 60.65 60.29 2gr7 s ILE 1068Cb -0.04 -2.87 0.08 0.00 0.01 0.00 0.00 42.46 39.64 2gr7 s ILE 1068CO 0.01 0.56 1.18 -1.54 0.00 0.00 0.00 174.94 175.15 2gr7 n SER 1069N 2.67 0.98 -0.28 3.58 3.41 0.02 -1.63 113.62 122.37 2gr7 n SER 1069Ca -0.18 0.59 0.13 0.00 -0.26 0.00 0.00 58.87 59.15 2gr7 n SER 1069Cb 0.53 -1.50 0.39 0.00 -0.26 0.00 0.00 64.21 63.37 2gr7 n SER 1069CO 0.00 0.00 0.00 0.44 -0.16 0.00 0.00 175.04 175.32 2gr7 h ASP 1070N -0.88 0.65 -0.05 4.04 3.32 -1.90 0.46 116.42 122.06 2gr7 h ASP 1070Ca -0.46 0.05 0.00 0.00 0.02 0.00 0.00 57.03 56.64 2gr7 h ASP 1070Cb 1.30 -0.07 0.00 0.00 0.22 0.00 0.00 39.33 40.78 2gr7 h ASP 1070CO 0.46 0.30 0.00 -0.46 -1.72 0.00 0.00 179.24 177.82 2gr7 n ASN 1071N -4.59 0.85 0.00 6.45 6.94 -1.26 -4.36 115.26 119.29 2gr7 n ASN 1071Ca 0.19 -1.43 0.00 0.00 -0.02 0.00 0.00 54.58 53.31 2gr7 n ASN 1071Cb 0.52 -0.03 0.00 0.00 -2.36 0.00 0.00 39.78 37.91 2gr7 n ASN 1071CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 2gr7 n GLY 1072N 1.03 1.53 0.08 4.83 0.00 0.11 -4.91 105.19 107.86 2gr7 n GLY 1072Ca 0.18 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 46.09 2gr7 n GLY 1072CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2gr7 h LYS 1073N 2.60 0.10 -5.34 1.61 1.57 -1.84 -3.45 116.57 111.81 2gr7 h LYS 1073Ca 0.00 -0.16 -0.66 0.00 -1.87 0.00 0.00 60.65 57.96 2gr7 h LYS 1073Cb 0.00 0.06 -0.33 0.00 0.08 0.00 0.00 32.23 32.04 2gr7 h LYS 1073CO 0.00 1.01 -0.87 0.08 -0.57 0.00 0.00 179.45 179.10 2gr7 s VAL 1074N -2.67 1.91 -0.07 0.50 1.01 -1.26 -0.92 120.40 118.90 2gr7 s VAL 1074Ca -0.02 -0.95 0.04 0.00 0.00 0.00 0.00 61.98 61.06 2gr7 s VAL 1074Cb 0.09 -1.65 -0.00 0.00 0.00 0.00 0.00 36.38 34.81 2gr7 s VAL 1074CO 0.84 0.53 -0.21 -0.63 0.00 0.00 0.00 175.10 175.63 2gr7 s ILE 1075N 0.29 1.73 0.08 2.22 1.01 -0.61 -0.80 121.20 125.13 2gr7 s ILE 1075Ca -0.15 -0.86 0.08 0.00 0.00 0.00 0.00 60.65 59.71 2gr7 s ILE 1075Cb -0.17 -1.49 -0.04 0.00 0.01 0.00 0.00 42.46 40.77 2gr7 s ILE 1075CO 0.07 0.49 -0.17 0.27 0.00 0.00 0.00 174.94 175.60 2gr7 s ILE 1076N 0.15 2.87 -0.02 2.92 -4.36 -0.65 -0.69 121.20 121.42 2gr7 s ILE 1076Ca -0.09 -1.35 0.01 0.00 -0.26 0.00 0.00 60.65 58.97 2gr7 s ILE 1076Cb -0.14 -2.28 0.01 0.00 1.25 0.00 0.00 42.46 41.30 2gr7 s ILE 1076CO 0.05 0.20 -0.05 -0.13 0.24 0.00 0.00 174.94 175.25 2gr7 s ARG 1077N -1.85 0.57 -0.01 0.37 0.52 -0.24 -1.83 118.95 116.49 2gr7 s ARG 1077Ca 0.17 -0.14 0.01 0.00 -0.52 0.00 0.00 55.73 55.25 2gr7 s ARG 1077Cb -0.11 -0.58 -0.00 0.00 0.52 0.00 0.00 34.95 34.78 2gr7 s ARG 1077CO 0.08 0.03 -0.04 -0.51 0.02 0.00 0.00 175.30 174.89 2gr7 s LEU 1078N 0.33 1.94 -0.06 2.53 1.43 0.46 -0.58 118.68 124.73 2gr7 s LEU 1078Ca -0.04 -0.07 -0.10 0.00 -1.03 0.00 0.00 54.13 52.90 2gr7 s LEU 1078Cb -0.08 -0.21 0.02 0.00 0.03 0.00 0.00 46.19 45.95 2gr7 s LEU 1078CO -0.00 0.04 0.24 -0.55 0.23 0.00 0.00 176.35 176.31 2gr7 s SER 1079N -0.00 -0.20 -0.01 2.29 0.15 -0.03 -0.41 113.70 115.49 2gr7 s SER 1079Ca 0.00 0.32 0.07 0.00 0.70 0.00 0.00 55.95 57.04 2gr7 s SER 1079Cb -0.03 0.43 -0.02 0.00 -1.71 0.00 0.00 66.02 64.70 2gr7 s SER 1079CO -0.00 -0.20 -0.21 -0.83 1.20 0.00 0.00 173.24 173.20 2gr7 s GLY 1080N -0.37 1.04 0.09 9.45 0.00 -0.51 -1.58 107.32 115.44 2gr7 s GLY 1080Ca -0.05 -0.92 0.05 0.00 0.00 0.00 0.00 44.72 43.80 2gr7 s GLY 1080CO 0.01 -0.77 -0.13 -0.51 0.00 0.00 0.00 173.10 171.70 2gr7 s THR 1081N -0.52 1.11 0.24 0.90 -4.23 -0.21 -1.57 115.64 111.35 2gr7 s THR 1081Ca 0.08 -1.50 0.05 0.00 -1.18 0.00 0.00 61.69 59.13 2gr7 s THR 1081Cb -0.08 -1.26 -0.02 0.00 1.34 0.00 0.00 72.50 72.48 2gr7 s THR 1081CO -0.01 -0.38 0.17 1.07 -0.54 0.00 0.00 174.62 174.94 2gr7 n THR 1082N 0.88 0.00 -3.79 3.99 5.66 0.23 -1.91 114.28 119.34 2gr7 n THR 1082Ca -0.18 -1.64 -0.09 0.00 -3.05 0.00 0.00 64.05 59.09 2gr7 n THR 1082Cb 0.56 0.77 0.02 0.00 -1.55 0.00 0.00 70.33 70.13 2gr7 n THR 1082CO 0.00 0.00 0.00 -0.46 -3.05 0.00 0.00 175.07 171.56 2gr7 n ASN 1083N -2.02 -2.19 0.00 1.09 0.23 -1.25 -1.64 115.26 109.48 2gr7 n ASN 1083Ca 0.03 -2.58 0.10 0.00 -0.53 0.00 0.00 54.58 51.60 2gr7 n ASN 1083Cb 0.41 3.67 0.48 0.00 -2.08 0.00 0.00 39.78 42.25 2gr7 n ASN 1083CO 0.00 0.00 0.00 -1.54 -0.93 0.00 0.00 177.26 174.79 2gr7 n SER 1084N -1.53 0.00 -0.61 0.53 3.41 -0.80 -1.39 113.62 113.23 2gr7 n SER 1084Ca -0.08 0.25 0.13 0.00 -0.26 0.00 0.00 58.87 58.91 2gr7 n SER 1084Cb 0.58 -0.40 0.41 0.00 -0.26 0.00 0.00 64.21 64.54 2gr7 n SER 1084CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2gr7 n GLN 1085N -1.40 1.84 -1.33 4.33 1.13 -1.26 -4.96 117.38 115.74 2gr7 n GLN 1085Ca 0.07 -1.23 -0.10 0.00 -1.94 0.00 0.00 57.00 53.80 2gr7 n GLN 1085Cb 0.20 -1.47 -0.04 0.00 0.11 0.00 0.00 30.24 29.04 2gr7 n GLN 1085CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 2gr7 n GLY 1086N 1.22 1.08 3.63 1.08 0.00 -0.48 -5.01 105.19 106.71 2gr7 n GLY 1086Ca 0.18 -0.58 -0.38 0.00 0.00 0.00 0.00 46.02 45.24 2gr7 n GLY 1086CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2gr7 s LYS 1087N -2.91 4.04 0.07 1.61 -0.14 -1.26 -4.89 119.74 116.26 2gr7 s LYS 1087Ca 0.00 -0.12 -0.02 0.00 -1.36 0.00 0.00 55.97 54.47 2gr7 s LYS 1087Cb 0.00 -3.60 -0.04 0.00 -1.68 0.00 0.00 37.83 32.50 2gr7 s LYS 1087CO 0.00 -0.11 0.25 0.95 -0.76 0.00 0.00 175.35 175.69 2gr7 s THR 1088N 1.55 5.33 0.10 2.17 -4.23 -1.26 -3.74 115.64 115.56 2gr7 s THR 1088Ca 0.11 -0.23 0.03 0.00 -1.18 0.00 0.00 61.69 60.41 2gr7 s THR 1088Cb -0.15 -3.62 -0.04 0.00 1.34 0.00 0.00 72.50 70.03 2gr7 s THR 1088CO 0.08 0.14 -0.08 -0.83 -0.54 0.00 0.00 174.62 173.39 2gr7 s GLY 1089N -2.40 0.81 0.01 3.99 0.00 -0.80 -4.97 107.32 103.95 2gr7 s GLY 1089Ca 0.36 -1.31 0.01 0.00 0.00 0.00 0.00 44.72 43.78 2gr7 s GLY 1089CO 0.26 -1.40 -0.04 -1.34 0.00 0.00 0.00 173.10 170.58 2gr7 s VAL 1090N -3.23 0.28 -0.03 1.40 -7.23 -1.26 -1.04 120.40 109.29 2gr7 s VAL 1090Ca 0.10 -0.40 -0.15 0.00 -1.81 0.00 0.00 61.98 59.72 2gr7 s VAL 1090Cb 0.02 -0.29 0.03 0.00 0.56 0.00 0.00 36.38 36.70 2gr7 s VAL 1090CO -0.03 -0.08 0.33 0.00 -0.31 0.00 0.00 175.10 175.01 2gr7 s ALA 1091N -0.48 -0.84 -0.11 1.32 0.00 -0.61 -5.02 121.76 116.02 2gr7 s ALA 1091Ca -0.03 0.47 -0.10 0.00 0.00 0.00 0.00 51.96 52.30 2gr7 s ALA 1091Cb -0.04 -0.03 0.03 0.00 0.00 0.00 0.00 23.12 23.09 2gr7 s ALA 1091CO -0.00 -0.25 0.30 0.00 0.00 0.00 0.00 175.76 175.80 2gr7 s ALA 1092N -1.10 -0.73 0.09 0.00 0.00 -1.26 -0.85 121.76 117.91 2gr7 s ALA 1092Ca -0.11 0.87 0.02 0.00 0.00 0.00 0.00 51.96 52.73 2gr7 s ALA 1092Cb -0.05 -0.51 -0.04 0.00 0.00 0.00 0.00 23.12 22.52 2gr7 s ALA 1092CO 0.04 -0.15 -0.07 0.20 0.00 0.00 0.00 175.76 175.78 2gr7 s GLY 1093N 0.26 0.73 -0.03 0.00 0.00 0.26 -4.99 107.32 103.54 2gr7 s GLY 1093Ca -0.01 -1.28 -0.02 0.00 0.00 0.00 0.00 44.72 43.42 2gr7 s GLY 1093CO -0.01 -1.37 0.08 0.54 0.00 0.00 0.00 173.10 172.34 2gr7 s VAL 1094N -3.34 -0.02 0.12 1.40 0.11 -1.26 -1.07 120.40 116.33 2gr7 s VAL 1094Ca 0.09 0.09 0.03 0.00 -2.93 0.00 0.00 61.98 59.26 2gr7 s VAL 1094Cb 0.03 -0.13 -0.04 0.00 -1.53 0.00 0.00 36.38 34.71 2gr7 s VAL 1094CO -0.04 0.04 -0.09 -0.83 -3.33 0.00 0.00 175.10 170.85 2gr7 s GLY 1095N 0.51 0.92 -0.07 6.54 0.00 0.13 -5.00 107.32 110.35 2gr7 s GLY 1095Ca -0.04 -1.40 0.02 0.00 0.00 0.00 0.00 44.72 43.30 2gr7 s GLY 1095CO -0.02 -1.50 -0.11 -0.47 0.00 0.00 0.00 173.10 171.00 2gr7 s TYR 1096N -3.35 1.43 0.05 1.90 5.04 -1.26 -1.57 117.35 119.59 2gr7 s TYR 1096Ca 0.13 -0.55 0.08 0.00 -2.44 0.00 0.00 57.07 54.30 2gr7 s TYR 1096Cb 0.03 -1.07 -0.03 0.00 0.35 0.00 0.00 41.96 41.24 2gr7 s TYR 1096CO -0.02 -0.30 -0.23 1.14 -1.34 0.00 0.00 175.55 174.80 2gr7 s GLN 1097N 0.81 1.89 0.00 4.97 -2.07 -0.10 -5.02 119.66 120.13 2gr7 s GLN 1097Ca -0.12 -1.07 0.00 0.00 -1.82 0.00 0.00 55.36 52.35 2gr7 s GLN 1097Cb -0.15 -2.06 0.00 0.00 -1.09 0.00 0.00 33.01 29.71 2gr7 s GLN 1097CO 0.02 0.52 0.00 -2.67 -1.32 0.00 0.00 175.29 171.84