#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1agq n ARG 40 N 0.00 0.25 0.19 3.52 5.12 -1.26 -2.01 116.66 122.47 1agq n ARG 40 Ca 0.00 0.12 0.09 0.00 -1.93 0.00 0.00 57.85 56.14 1agq n ARG 40 Cb 0.00 -1.50 0.12 0.00 -1.16 0.00 0.00 32.46 29.92 1agq n ARG 40 CO 0.00 0.00 0.00 0.78 -1.93 0.00 0.00 177.63 176.48 1agq h GLY 41 N 2.28 0.00 -6.73 -0.13 0.00 -1.94 -3.41 103.07 93.14 1agq h GLY 41 Ca 0.00 0.00 -0.58 0.00 0.00 0.00 0.00 47.33 46.75 1agq h GLY 41 CO 0.00 0.00 0.77 0.00 0.00 0.00 0.00 176.54 177.31 1agq s VAL 43 N 4.09 1.09 -0.13 0.00 -7.23 0.20 -4.85 120.40 113.58 1agq s VAL 43 Ca 0.43 -2.05 -0.12 0.00 -1.81 0.00 0.00 61.98 58.43 1agq s VAL 43 Cb -0.09 -2.21 -0.05 0.00 0.56 0.00 0.00 36.38 34.60 1agq s VAL 43 CO 0.28 -0.44 0.26 -0.22 -0.31 0.00 0.00 175.10 174.67 1agq s LEU 44 N -3.27 4.31 0.01 1.32 2.96 -1.26 -1.44 118.68 121.31 1agq s LEU 44 Ca 0.25 0.55 0.06 0.00 -0.22 0.00 0.00 54.13 54.78 1agq s LEU 44 Cb 0.05 -2.31 -0.02 0.00 0.50 0.00 0.00 46.19 44.40 1agq s LEU 44 CO 0.07 0.22 -0.19 -0.89 -1.32 0.00 0.00 176.35 174.23 1agq s THR 45 N -0.16 1.53 -0.06 3.68 2.01 -0.17 -4.97 115.64 117.51 1agq s THR 45 Ca 0.17 -0.97 0.03 0.00 0.31 0.00 0.00 61.69 61.22 1agq s THR 45 Cb -0.13 -1.30 -0.03 0.00 0.01 0.00 0.00 72.50 71.05 1agq s THR 45 CO 0.05 0.31 -0.13 0.00 -0.69 0.00 0.00 174.62 174.16 1agq s ALA 46 N -0.61 2.72 -0.02 7.40 0.00 -1.26 -1.05 121.76 128.93 1agq s ALA 46 Ca 0.07 -0.95 0.02 0.00 0.00 0.00 0.00 51.96 51.09 1agq s ALA 46 Cb -0.08 -1.04 0.01 0.00 0.00 0.00 0.00 23.12 22.01 1agq s ALA 46 CO 0.00 0.52 -0.07 -1.50 0.00 0.00 0.00 175.76 174.72 1agq s ILE 47 N -0.62 0.60 -0.24 0.00 2.07 0.38 -4.98 121.20 118.40 1agq s ILE 47 Ca 0.09 -0.26 -0.24 0.00 -1.41 0.00 0.00 60.65 58.84 1agq s ILE 47 Cb -0.11 -0.55 -0.01 0.00 0.13 0.00 0.00 42.46 41.92 1agq s ILE 47 CO 0.01 0.20 0.78 -2.28 -1.91 0.00 0.00 174.94 171.74 1agq s HIS 48 N 0.25 3.31 0.22 3.50 5.65 -1.26 -0.30 115.29 126.65 1agq s HIS 48 Ca -0.03 1.07 0.03 0.00 0.25 0.00 0.00 55.06 56.37 1agq s HIS 48 Cb -0.08 -3.00 -0.05 0.00 -1.18 0.00 0.00 32.58 28.27 1agq s HIS 48 CO 0.00 -0.38 0.02 -0.51 -0.65 0.00 0.00 174.74 173.22 1agq s LEU 49 N 2.76 2.06 0.23 8.88 1.43 -0.46 -4.97 118.68 128.60 1agq s LEU 49 Ca 0.33 -1.24 -0.05 0.00 -1.03 0.00 0.00 54.13 52.14 1agq s LEU 49 Cb -0.15 -0.15 -0.05 0.00 0.03 0.00 0.00 46.19 45.87 1agq s LEU 49 CO 0.08 -0.58 0.48 0.20 0.23 0.00 0.00 176.35 176.76 1agq s ASN 50 N -3.27 6.47 0.51 2.29 0.01 -1.26 -1.00 114.94 118.69 1agq s ASN 50 Ca 0.29 0.64 0.17 0.00 -0.71 0.00 0.00 52.86 53.25 1agq s ASN 50 Cb 0.06 -2.11 1.26 0.00 0.41 0.00 0.00 41.25 40.87 1agq s ASN 50 CO 0.08 -0.09 2.12 0.58 -1.51 0.00 0.00 177.10 178.28 1agq h VAL 51 N 1.63 0.96 0.00 1.60 2.07 -1.30 0.24 116.25 121.46 1agq h VAL 51 Ca -0.47 -0.02 0.00 0.00 0.82 0.00 0.00 66.70 67.03 1agq h VAL 51 Cb 1.18 0.91 0.00 0.00 -1.52 0.00 0.00 31.29 31.87 1agq h VAL 51 CO 0.68 0.01 0.00 0.71 0.02 0.00 0.00 177.57 178.99 1agq h THR 52 N 0.05 0.00 0.00 2.57 1.35 -1.81 -1.53 112.91 113.53 1agq h THR 52 Ca 0.05 -0.15 0.00 0.00 -0.55 0.00 0.00 66.41 65.77 1agq h THR 52 Cb 0.16 0.87 0.00 0.00 -1.73 0.00 0.00 68.15 67.46 1agq h THR 52 CO -0.00 0.00 -0.01 0.44 -0.25 0.00 0.00 175.52 175.70 1agq h ASP 53 N 0.00 0.00 0.56 5.36 3.32 -1.32 -3.27 116.42 121.07 1agq h ASP 53 Ca 0.00 -0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 1agq h ASP 53 Cb 0.19 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.74 1agq h ASP 53 CO 0.00 0.00 0.00 -0.07 -1.72 0.00 0.00 179.24 177.45 1agq h LEU 54 N 0.00 0.00 0.81 1.55 3.38 -1.37 -3.46 115.31 116.22 1agq h LEU 54 Ca 0.00 0.00 -0.20 0.00 0.09 0.00 0.00 57.88 57.77 1agq h LEU 54 Cb 0.87 0.00 -0.05 0.00 0.09 0.00 0.00 40.66 41.57 1agq h LEU 54 CO 0.00 0.00 -0.21 0.61 0.09 0.00 0.00 178.44 178.93 1agq n GLY 55 N -0.35 0.69 0.40 0.83 0.00 -1.23 -4.92 105.19 100.60 1agq n GLY 55 Ca 0.01 -0.55 0.14 0.00 0.00 0.00 0.00 46.02 45.62 1agq n GLY 55 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1agq n LEU 56 N -1.21 1.26 0.00 0.99 4.77 -1.26 -4.94 117.00 116.61 1agq n LEU 56 Ca -0.10 -0.41 0.00 0.00 -0.03 0.00 0.00 56.01 55.46 1agq n LEU 56 Cb 0.42 -0.01 0.00 0.00 -2.33 0.00 0.00 43.42 41.50 1agq n LEU 56 CO 0.14 0.21 0.00 0.61 -1.33 0.00 0.00 177.39 177.02 1agq n GLY 57 N 1.16 0.66 3.87 -0.72 0.00 -1.26 -5.05 105.19 103.84 1agq n GLY 57 Ca 0.19 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.88 1agq n GLY 57 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1agq s TYR 58 N -2.22 3.51 -0.29 1.61 2.02 -1.26 -5.06 117.35 115.66 1agq s TYR 58 Ca 0.00 0.79 -0.05 0.00 -0.37 0.00 0.00 57.07 57.44 1agq s TYR 58 Cb 0.00 -2.18 0.02 0.00 -0.40 0.00 0.00 41.96 39.40 1agq s TYR 58 CO 0.00 0.41 0.04 -2.00 -1.57 0.00 0.00 175.55 172.43 1agq s GLU 59 N -2.38 2.97 0.24 -0.62 2.56 -1.26 -4.61 118.70 115.60 1agq s GLU 59 Ca 0.40 -0.93 -0.22 0.00 0.00 0.00 0.00 54.97 54.23 1agq s GLU 59 Cb -0.13 -3.27 0.04 0.00 2.00 0.00 0.00 34.13 32.77 1agq s GLU 59 CO 0.21 -0.45 0.70 -0.08 -0.56 0.00 0.00 175.26 175.08 1agq s THR 60 N 1.44 0.00 -1.73 -1.70 -1.32 -1.26 -0.67 115.64 110.40 1agq s THR 60 Ca 0.01 -0.72 0.17 0.00 -1.21 0.00 0.00 61.69 59.95 1agq s THR 60 Cb -0.17 -1.73 0.04 0.00 -1.51 0.00 0.00 72.50 69.12 1agq s THR 60 CO 0.01 0.00 0.93 0.29 -2.21 0.00 0.00 174.62 173.64 1agq n LYS 61 N -0.44 1.58 -1.88 7.08 5.02 -1.26 -4.65 118.16 123.61 1agq n LYS 61 Ca -0.07 -1.04 -0.38 0.00 -2.02 0.00 0.00 58.31 54.80 1agq n LYS 61 Cb 0.61 -1.31 0.03 0.00 -0.02 0.00 0.00 35.03 34.34 1agq n LYS 61 CO 0.00 0.00 0.00 -2.00 -0.52 0.00 0.00 177.40 174.88 1agq s GLU 62 N -1.82 3.18 0.26 1.97 2.56 -1.26 -4.88 118.70 118.71 1agq s GLU 62 Ca 0.16 2.11 0.05 0.00 0.00 0.00 0.00 54.97 57.29 1agq s GLU 62 Cb 0.14 -2.22 -0.05 0.00 2.00 0.00 0.00 34.13 33.99 1agq s GLU 62 CO 0.36 -1.12 -0.04 -1.21 -0.56 0.00 0.00 175.26 172.70 1agq s GLU 63 N -2.95 1.45 0.21 4.30 2.02 -1.26 -0.82 118.70 121.65 1agq s GLU 63 Ca 0.72 -1.73 -0.22 0.00 0.02 0.00 0.00 54.97 53.76 1agq s GLU 63 Cb -0.37 -0.92 0.05 0.00 0.10 0.00 0.00 34.13 32.99 1agq s GLU 63 CO 0.44 -0.02 0.64 -0.48 0.02 0.00 0.00 175.26 175.86 1agq s LEU 64 N -3.38 -0.39 -0.28 1.80 2.34 -0.17 -4.84 118.68 113.77 1agq s LEU 64 Ca 0.29 -0.28 -0.10 0.00 0.06 0.00 0.00 54.13 54.10 1agq s LEU 64 Cb 0.05 2.61 -0.04 0.00 -0.56 0.00 0.00 46.19 48.24 1agq s LEU 64 CO 0.10 -1.12 0.17 -0.63 -1.06 0.00 0.00 176.35 173.81 1agq s ILE 65 N -3.83 5.12 -0.16 1.48 1.01 -1.26 -1.36 121.20 122.20 1agq s ILE 65 Ca 0.06 0.08 -0.13 0.00 0.00 0.00 0.00 60.65 60.65 1agq s ILE 65 Cb -0.03 -3.44 -0.05 0.00 0.01 0.00 0.00 42.46 38.95 1agq s ILE 65 CO -0.04 0.25 0.28 0.12 0.00 0.00 0.00 174.94 175.54 1agq s PHE 66 N 1.73 3.46 -0.05 3.97 5.36 0.59 -4.92 117.98 128.12 1agq s PHE 66 Ca 0.07 0.57 0.06 0.00 -0.96 0.00 0.00 56.93 56.67 1agq s PHE 66 Cb -0.16 -2.32 -0.02 0.00 -0.34 0.00 0.00 43.02 40.19 1agq s PHE 66 CO 0.10 0.25 -0.23 1.03 -1.46 0.00 0.00 175.22 174.91 1agq s ARG 67 N 0.42 2.43 0.19 10.12 0.52 -1.26 -0.47 118.95 130.91 1agq s ARG 67 Ca 0.16 -0.87 0.02 0.00 -0.52 0.00 0.00 55.73 54.51 1agq s ARG 67 Cb -0.13 -2.18 -0.05 0.00 0.52 0.00 0.00 34.95 33.12 1agq s ARG 67 CO 0.03 0.47 0.01 1.52 0.02 0.00 0.00 175.30 177.35 1agq s TYR 68 N -0.37 1.30 -0.09 -0.53 -0.85 -0.22 -1.18 117.35 115.41 1agq s TYR 68 Ca 0.03 -1.02 -0.01 0.00 -0.52 0.00 0.00 57.07 55.55 1agq s TYR 68 Cb -0.12 -0.74 -0.03 0.00 0.38 0.00 0.00 41.96 41.45 1agq s TYR 68 CO 0.02 -0.20 -0.05 0.00 -1.52 0.00 0.00 175.55 173.80 1agq s SER 70 N -0.49 -0.49 0.00 0.00 1.04 -0.52 -4.81 113.70 108.42 1agq s SER 70 Ca 0.08 0.23 0.00 0.00 0.48 0.00 0.00 55.95 56.73 1agq s SER 70 Cb -0.12 0.52 0.00 0.00 0.10 0.00 0.00 66.02 66.52 1agq s SER 70 CO 0.02 -0.74 0.00 0.61 0.98 0.00 0.00 173.24 174.11 1agq n GLY 71 N 0.36 3.31 3.81 7.32 0.00 -1.25 0.62 105.19 119.35 1agq n GLY 71 Ca -0.18 -1.86 -0.33 0.00 0.00 0.00 0.00 46.02 43.64 1agq n GLY 71 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1agq s SER 72 N 0.00 6.67 -0.36 1.61 0.15 -1.23 -4.39 113.70 116.15 1agq s SER 72 Ca 0.00 1.79 0.11 0.00 0.70 0.00 0.00 55.95 58.55 1agq s SER 72 Cb 0.00 -2.55 0.45 0.00 -1.71 0.00 0.00 66.02 62.21 1agq s SER 72 CO 0.00 -0.55 1.07 0.00 1.20 0.00 0.00 173.24 174.96 1agq h GLU 74 N 2.66 0.00 -5.99 0.00 5.08 -1.94 -3.44 114.58 110.95 1agq h GLU 74 Ca 0.14 0.00 -0.58 0.00 -1.00 0.00 0.00 59.36 57.92 1agq h GLU 74 Cb 1.12 0.00 -0.06 0.00 0.50 0.00 0.00 28.75 30.31 1agq h GLU 74 CO 0.66 0.07 -0.11 0.00 -1.00 0.00 0.00 179.01 178.63 1agq s ALA 75 N -3.86 3.56 -0.02 3.43 0.00 -1.26 -5.04 121.76 118.57 1agq s ALA 75 Ca -0.01 -0.10 -0.30 0.00 0.00 0.00 0.00 51.96 51.55 1agq s ALA 75 Cb 0.11 -2.59 -0.05 0.00 0.00 0.00 0.00 23.12 20.59 1agq s ALA 75 CO 0.55 0.25 1.34 0.00 0.00 0.00 0.00 175.76 177.90 1agq s ALA 76 N -0.39 3.56 -1.67 0.00 0.00 -1.26 -4.91 121.76 117.09 1agq s ALA 76 Ca 0.27 0.79 0.14 0.00 0.00 0.00 0.00 51.96 53.17 1agq s ALA 76 Cb -0.17 -3.57 0.16 0.00 0.00 0.00 0.00 23.12 19.54 1agq s ALA 76 CO 0.14 -0.88 1.02 0.39 0.00 0.00 0.00 175.76 176.43 1agq n GLU 77 N 5.36 1.31 -3.98 0.00 1.02 -1.26 -4.92 120.64 118.17 1agq n GLU 77 Ca 0.13 -1.50 -0.09 0.00 -0.02 0.00 0.00 57.16 55.67 1agq n GLU 77 Cb 0.44 -1.29 -0.08 0.00 -0.02 0.00 0.00 31.44 30.50 1agq n GLU 77 CO 0.00 0.00 0.00 0.95 1.18 0.00 0.00 177.13 179.26 1agq s THR 78 N -1.15 0.10 0.27 2.62 -4.23 -1.26 -5.03 115.64 106.96 1agq s THR 78 Ca 0.19 -1.47 -0.04 0.00 -1.18 0.00 0.00 61.69 59.19 1agq s THR 78 Cb 0.12 -1.75 0.26 0.00 1.34 0.00 0.00 72.50 72.48 1agq s THR 78 CO 0.18 -0.46 1.94 0.24 -0.54 0.00 0.00 174.62 175.99 1agq h MET 79 N 2.69 1.20 -0.58 3.99 2.86 -2.00 -2.37 114.93 120.74 1agq h MET 79 Ca -0.33 -0.07 0.06 0.00 -2.06 0.00 0.00 59.70 57.30 1agq h MET 79 Cb 1.21 -0.27 -0.05 0.00 0.06 0.00 0.00 31.60 32.54 1agq h MET 79 CO 0.53 0.80 0.28 -0.92 1.06 0.00 0.00 176.91 178.66 1agq h TYR 80 N 1.24 0.51 -0.06 -0.22 3.20 -1.99 -0.73 116.97 118.91 1agq h TYR 80 Ca 0.35 0.02 -0.15 0.00 3.14 0.00 0.00 58.73 62.09 1agq h TYR 80 Cb -0.11 -0.14 -0.01 0.00 1.54 0.00 0.00 36.73 38.01 1agq h TYR 80 CO -0.00 0.22 -0.63 -0.44 -1.64 0.00 0.00 178.16 175.68 1agq h ASP 81 N 0.53 0.28 -0.21 -2.11 3.32 -1.86 -1.65 116.42 114.71 1agq h ASP 81 Ca 0.27 -0.16 -0.01 0.00 0.02 0.00 0.00 57.03 57.14 1agq h ASP 81 Cb 0.21 -0.08 -0.01 0.00 0.22 0.00 0.00 39.33 39.67 1agq h ASP 81 CO -0.20 0.83 0.08 0.11 -1.72 0.00 0.00 179.24 178.34 1agq h LYS 82 N 0.17 0.32 0.00 3.56 1.79 -0.92 -1.93 116.57 119.57 1agq h LYS 82 Ca -0.01 -0.06 -0.06 0.00 -2.18 0.00 0.00 60.65 58.34 1agq h LYS 82 Cb 1.14 -0.05 -0.01 0.00 -1.58 0.00 0.00 32.23 31.74 1agq h LYS 82 CO 0.10 0.39 -0.27 -0.84 -1.08 0.00 0.00 179.45 177.75 1agq h ILE 83 N 0.18 0.79 -0.37 1.86 -0.00 -1.00 -1.79 117.51 117.18 1agq h ILE 83 Ca 0.07 -1.11 -0.07 0.00 -0.00 0.00 0.00 64.86 63.75 1agq h ILE 83 Cb 0.20 1.68 -0.01 0.00 -0.00 0.00 0.00 36.82 38.69 1agq h ILE 83 CO -0.00 0.26 -0.03 -0.07 -0.00 0.00 0.00 178.15 178.31 1agq h LEU 84 N 0.00 0.68 0.98 0.16 3.38 -0.99 -1.40 115.31 118.11 1agq h LEU 84 Ca -0.00 -0.33 -0.05 0.00 0.09 0.00 0.00 57.88 57.59 1agq h LEU 84 Cb 0.66 -0.18 0.01 0.00 0.09 0.00 0.00 40.66 41.24 1agq h LEU 84 CO 0.04 0.84 -0.47 0.50 0.09 0.00 0.00 178.44 179.44 1agq h LYS 85 N 0.49 -1.27 -0.92 1.13 3.64 -0.93 -2.98 116.57 115.74 1agq h LYS 85 Ca 0.10 0.09 0.22 0.00 -1.27 0.00 0.00 60.65 59.79 1agq h LYS 85 Cb 0.52 0.29 -0.12 0.00 -0.41 0.00 0.00 32.23 32.50 1agq h LYS 85 CO 0.03 -0.84 0.46 -0.91 -2.27 0.00 0.00 179.45 175.91 1agq h ASN 86 N -1.34 0.45 0.46 4.20 2.35 -1.35 0.55 115.58 120.91 1agq h ASN 86 Ca -0.13 0.14 0.00 0.00 -0.55 0.00 0.00 56.30 55.76 1agq h ASN 86 Cb 1.01 0.09 0.00 0.00 0.05 0.00 0.00 38.32 39.47 1agq h ASN 86 CO 0.22 0.05 0.00 -0.07 -1.65 0.00 0.00 177.43 175.98 1agq h LEU 87 N 0.47 0.00 0.03 1.61 3.38 -1.13 -0.14 115.31 119.54 1agq h LEU 87 Ca 0.58 0.00 -0.00 0.00 0.09 0.00 0.00 57.88 58.55 1agq h LEU 87 Cb 1.07 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.82 1agq h LEU 87 CO -0.50 0.00 -0.02 0.28 0.09 0.00 0.00 178.44 178.30 1agq h SER 88 N 0.00 -0.04 0.00 -0.43 0.02 0.23 -0.42 113.55 112.91 1agq h SER 88 Ca 0.00 -0.12 0.00 0.00 -0.84 0.00 0.00 61.79 60.83 1agq h SER 88 Cb 0.23 0.01 0.00 0.00 0.14 0.00 0.00 62.40 62.78 1agq h SER 88 CO 0.00 0.52 0.03 -1.14 -1.14 0.00 0.00 176.83 175.10 1agq n ARG 89 N -4.79 0.00 -0.12 3.45 3.00 -0.95 -1.24 116.66 116.02 1agq n ARG 89 Ca -0.02 0.37 -0.26 0.00 -0.00 0.00 0.00 57.85 57.95 1agq n ARG 89 Cb 0.08 -1.53 -0.11 0.00 0.00 0.00 0.00 32.46 30.89 1agq n ARG 89 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.63 178.06 1agq n SER 90 N -1.36 1.93 0.00 6.15 7.64 -0.09 -5.08 113.62 122.80 1agq n SER 90 Ca 0.00 0.34 0.00 0.00 1.01 0.00 0.00 58.87 60.22 1agq n SER 90 Cb 0.03 -0.86 0.00 0.00 -1.01 0.00 0.00 64.21 62.37 1agq n SER 90 CO 0.00 0.00 0.00 -2.11 -3.01 0.00 0.00 175.04 169.92 1agq n ARG 91 N -4.24 0.00 0.00 1.43 1.85 -0.17 -5.08 116.66 110.45 1agq n ARG 91 Ca -0.44 0.00 0.00 0.00 -1.00 0.00 0.00 57.85 56.41 1agq n ARG 91 Cb 0.81 0.00 0.00 0.00 -1.05 0.00 0.00 32.46 32.22 1agq n ARG 91 CO 0.00 0.00 0.00 0.28 -0.01 0.00 0.00 177.63 177.90 1agq n VAL 98 N -1.72 0.00 -1.76 8.89 0.31 -1.26 -4.54 118.33 118.24 1agq n VAL 98 Ca 0.00 0.00 -0.21 0.00 -0.01 0.00 0.00 64.34 64.12 1agq n VAL 98 Cb 0.00 0.00 -0.07 0.00 -0.91 0.00 0.00 33.84 32.86 1agq n VAL 98 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 1agq n GLY 99 N 4.51 1.48 3.72 2.92 0.00 -1.26 -4.98 105.19 111.59 1agq n GLY 99 Ca 0.00 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.66 1agq n GLY 99 CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 1agq s GLN 100 N -4.01 2.29 0.69 1.61 -2.07 -1.26 -4.98 119.66 111.92 1agq s GLN 100 Ca 0.00 1.93 -0.14 0.00 -1.82 0.00 0.00 55.36 55.33 1agq s GLN 100 Cb 0.00 -1.83 0.01 0.00 -1.09 0.00 0.00 33.01 30.10 1agq s GLN 100 CO 0.00 -1.76 1.11 0.00 -1.32 0.00 0.00 175.29 173.31 1agq s ALA 101 N -1.69 2.41 0.06 2.60 0.00 -1.26 -5.06 121.76 118.82 1agq s ALA 101 Ca 0.79 0.48 0.02 0.00 0.00 0.00 0.00 51.96 53.26 1agq s ALA 101 Cb -0.34 -3.31 -0.03 0.00 0.00 0.00 0.00 23.12 19.45 1agq s ALA 101 CO 0.43 -1.41 -0.08 0.00 0.00 0.00 0.00 175.76 174.70 1agq s ARG 104 N 4.23 1.10 0.27 0.00 1.81 -0.47 -4.56 118.95 121.34 1agq s ARG 104 Ca 0.50 -1.37 -0.29 0.00 -1.72 0.00 0.00 55.73 52.84 1agq s ARG 104 Cb -0.11 0.31 -0.10 0.00 -0.45 0.00 0.00 34.95 34.61 1agq s ARG 104 CO 0.26 -0.37 1.35 -2.14 -0.68 0.00 0.00 175.30 173.72 1agq s PRO 105 N -4.04 4.33 0.00 3.54 0.02 -1.26 -1.24 135.00 136.35 1agq s PRO 105 Ca 0.24 2.21 0.04 0.00 0.02 0.00 0.00 61.00 63.51 1agq s PRO 105 Cb 0.05 -3.11 -0.00 0.00 0.02 0.00 0.00 34.50 31.46 1agq s PRO 105 CO 0.04 -0.28 0.41 1.33 -0.33 0.00 0.00 177.00 178.17 1agq n VAL 106 N 1.76 0.00 -3.71 3.83 0.24 -0.17 -4.85 118.33 115.44 1agq n VAL 106 Ca 0.04 -0.46 -0.14 0.00 -2.04 0.00 0.00 64.34 61.74 1agq n VAL 106 Cb 0.41 1.05 -0.09 0.00 -1.47 0.00 0.00 33.84 33.75 1agq n VAL 106 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 1agq s ALA 107 N -0.84 -1.06 0.22 2.33 0.00 -1.16 -4.95 121.76 116.30 1agq s ALA 107 Ca 0.03 0.83 0.11 0.00 0.00 0.00 0.00 51.96 52.93 1agq s ALA 107 Cb 0.03 -0.24 -0.05 0.00 0.00 0.00 0.00 23.12 22.87 1agq s ALA 107 CO 0.10 -0.26 -0.17 -0.06 0.00 0.00 0.00 175.76 175.38 1agq s PHE 108 N -0.72 2.42 0.92 0.00 0.08 -1.26 -0.32 117.98 119.09 1agq s PHE 108 Ca -0.08 -0.30 -0.12 0.00 0.12 0.00 0.00 56.93 56.55 1agq s PHE 108 Cb -0.04 -1.14 0.14 0.00 -0.57 0.00 0.00 43.02 41.41 1agq s PHE 108 CO 0.04 0.58 1.09 -0.51 -0.10 0.00 0.00 175.22 176.32 1agq s ASP 109 N -3.04 3.31 0.87 1.36 1.01 0.83 -4.50 116.67 116.50 1agq s ASP 109 Ca 0.25 1.42 -0.10 0.00 0.71 0.00 0.00 52.55 54.83 1agq s ASP 109 Cb -0.07 -2.10 0.12 0.00 1.01 0.00 0.00 42.92 41.88 1agq s ASP 109 CO 0.14 -2.73 1.13 -1.81 0.21 0.00 0.00 175.17 172.11 1agq s ASP 110 N -3.44 3.45 0.53 0.27 1.01 -1.26 -4.54 116.67 112.70 1agq s ASP 110 Ca 0.64 2.07 -0.22 0.00 0.71 0.00 0.00 52.55 55.75 1agq s ASP 110 Cb -0.18 -2.55 -0.06 0.00 1.01 0.00 0.00 42.92 41.14 1agq s ASP 110 CO 0.57 -2.75 1.21 0.47 0.21 0.00 0.00 175.17 174.88 1agq n ASP 111 N -3.99 2.03 -4.09 0.27 8.00 -1.26 -4.88 116.55 112.63 1agq n ASP 111 Ca 0.11 0.95 -0.32 0.00 0.71 0.00 0.00 54.79 56.24 1agq n ASP 111 Cb 0.52 -1.50 -0.16 0.00 -0.02 0.00 0.00 41.12 39.97 1agq n ASP 111 CO 0.00 0.00 0.00 -0.22 -0.39 0.00 0.00 177.20 176.59 1agq s LEU 112 N -2.59 2.40 -0.15 0.64 2.96 -0.65 -4.96 118.68 116.33 1agq s LEU 112 Ca 0.71 -0.83 -0.07 0.00 -0.22 0.00 0.00 54.13 53.73 1agq s LEU 112 Cb -0.44 -1.44 -0.04 0.00 0.50 0.00 0.00 46.19 44.76 1agq s LEU 112 CO 0.50 -0.06 0.08 -0.44 -1.32 0.00 0.00 176.35 175.11 1agq s SER 113 N 1.28 5.80 0.03 3.68 0.01 -1.26 -0.31 113.70 122.92 1agq s SER 113 Ca 0.01 0.20 -0.06 0.00 1.31 0.00 0.00 55.95 57.41 1agq s SER 113 Cb -0.15 -1.91 -0.01 0.00 0.21 0.00 0.00 66.02 64.16 1agq s SER 113 CO -0.11 0.27 0.11 0.72 0.41 0.00 0.00 173.24 174.64 1agq s PHE 114 N -0.19 0.14 -0.21 2.43 -0.71 0.12 -4.97 117.98 114.58 1agq s PHE 114 Ca 0.08 -0.37 -0.13 0.00 -1.04 0.00 0.00 56.93 55.48 1agq s PHE 114 Cb -0.12 -0.10 -0.04 0.00 -1.21 0.00 0.00 43.02 41.54 1agq s PHE 114 CO 0.01 -0.34 0.27 -1.17 -1.34 0.00 0.00 175.22 172.66 1agq s LEU 115 N -1.85 4.15 1.03 -1.99 1.98 -1.26 -0.43 118.68 120.31 1agq s LEU 115 Ca -0.09 0.33 -0.15 0.00 -2.89 0.00 0.00 54.13 51.34 1agq s LEU 115 Cb -0.04 -2.31 0.20 0.00 0.66 0.00 0.00 46.19 44.71 1agq s LEU 115 CO -0.02 0.02 1.15 -0.62 -1.89 0.00 0.00 176.35 174.98 1agq s ASP 116 N 0.95 2.47 0.00 3.68 2.15 -0.28 -4.64 116.67 121.01 1agq s ASP 116 Ca 0.13 0.80 0.26 0.00 0.43 0.00 0.00 52.55 54.17 1agq s ASP 116 Cb -0.14 -1.21 0.66 0.00 -0.30 0.00 0.00 42.92 41.93 1agq s ASP 116 CO 0.05 -3.18 1.51 0.47 -0.17 0.00 0.00 175.17 173.86 1agq n ASP 117 N -4.15 0.77 -1.37 -0.34 8.00 0.15 -3.44 116.55 116.17 1agq n ASP 117 Ca 0.09 -0.59 0.09 0.00 0.71 0.00 0.00 54.79 55.10 1agq n ASP 117 Cb 0.59 0.18 0.31 0.00 -0.02 0.00 0.00 41.12 42.18 1agq n ASP 117 CO 0.00 0.00 0.00 -1.20 -0.39 0.00 0.00 177.20 175.61 1agq n SER 118 N -1.04 4.01 0.00 -2.24 7.64 -1.26 -4.92 113.62 115.81 1agq n SER 118 Ca 0.09 -2.23 0.00 0.00 1.01 0.00 0.00 58.87 57.75 1agq n SER 118 Cb 0.34 -0.50 0.00 0.00 -1.01 0.00 0.00 64.21 63.04 1agq n SER 118 CO 0.00 0.00 0.00 0.18 -3.01 0.00 0.00 175.04 172.21 1agq n LEU 119 N 1.20 0.14 -4.78 -3.43 4.77 -1.22 -5.01 117.00 108.68 1agq n LEU 119 Ca 0.23 0.00 -0.39 0.00 -0.03 0.00 0.00 56.01 55.82 1agq n LEU 119 Cb 0.71 -0.23 -0.06 0.00 -2.33 0.00 0.00 43.42 41.51 1agq n LEU 119 CO 0.19 -0.07 0.25 -0.69 -1.33 0.00 0.00 177.39 175.74 1agq s VAL 120 N -3.53 4.92 0.21 4.08 1.01 -1.26 -4.84 120.40 120.99 1agq s VAL 120 Ca 0.00 1.16 -0.06 0.00 0.00 0.00 0.00 61.98 63.08 1agq s VAL 120 Cb 0.00 -3.89 -0.06 0.00 0.00 0.00 0.00 36.38 32.44 1agq s VAL 120 CO 0.00 0.45 0.48 -0.31 0.00 0.00 0.00 175.10 175.72 1agq s TYR 121 N -0.39 3.46 0.06 5.22 1.51 -1.26 -1.12 117.35 124.82 1agq s TYR 121 Ca 0.29 0.66 0.02 0.00 -1.01 0.00 0.00 57.07 57.03 1agq s TYR 121 Cb -0.18 -2.10 -0.03 0.00 -0.11 0.00 0.00 41.96 39.54 1agq s TYR 121 CO 0.16 0.31 -0.08 -1.01 -1.11 0.00 0.00 175.55 173.82 1agq s HIS 122 N -1.84 0.77 -0.14 2.71 3.76 0.43 -4.95 115.29 116.02 1agq s HIS 122 Ca 0.44 -0.64 0.00 0.00 -0.15 0.00 0.00 55.06 54.71 1agq s HIS 122 Cb -0.11 -0.45 0.02 0.00 1.11 0.00 0.00 32.58 33.15 1agq s HIS 122 CO 0.25 -0.10 -0.13 0.42 -0.85 0.00 0.00 174.74 174.33 1agq s ILE 123 N -2.16 1.46 -0.10 0.60 1.01 -1.26 -0.71 121.20 120.05 1agq s ILE 123 Ca -0.02 -0.57 -0.18 0.00 0.00 0.00 0.00 60.65 59.88 1agq s ILE 123 Cb -0.05 -1.39 -0.04 0.00 0.01 0.00 0.00 42.46 40.99 1agq s ILE 123 CO -0.01 0.44 0.46 -0.76 0.00 0.00 0.00 174.94 175.07 1agq s LEU 124 N 1.48 4.31 -0.03 2.97 1.43 0.57 -4.91 118.68 124.50 1agq s LEU 124 Ca 0.04 0.83 0.04 0.00 -1.03 0.00 0.00 54.13 54.02 1agq s LEU 124 Cb -0.13 -2.67 -0.01 0.00 0.03 0.00 0.00 46.19 43.41 1agq s LEU 124 CO -0.09 0.06 -0.16 -0.13 0.23 0.00 0.00 176.35 176.25 1agq s ARG 125 N 0.34 1.55 -1.42 1.70 0.52 -1.26 -1.64 118.95 118.73 1agq s ARG 125 Ca 0.25 -0.58 -0.09 0.00 -0.52 0.00 0.00 55.73 54.79 1agq s ARG 125 Cb -0.15 -1.40 0.05 0.00 0.52 0.00 0.00 34.95 33.96 1agq s ARG 125 CO 0.11 0.28 0.97 1.63 0.02 0.00 0.00 175.30 178.31 1agq n LYS 126 N 2.97 -6.03 -0.01 3.54 5.02 -1.26 -4.87 118.16 117.53 1agq n LYS 126 Ca -0.17 0.67 0.10 0.00 -2.02 0.00 0.00 58.31 56.89 1agq n LYS 126 Cb 0.54 -5.54 -0.14 0.00 -0.02 0.00 0.00 35.03 29.87 1agq n LYS 126 CO 0.00 0.00 0.00 -2.39 -0.52 0.00 0.00 177.40 174.49 1agq n HIS 127 N -4.64 0.00 -3.84 2.13 1.44 -1.26 -4.97 115.22 104.09 1agq n HIS 127 Ca -0.06 0.00 -0.12 0.00 -2.01 0.00 0.00 57.72 55.53 1agq n HIS 127 Cb 0.58 -0.26 -0.13 0.00 0.12 0.00 0.00 29.99 30.30 1agq n HIS 127 CO 0.00 0.00 0.00 0.45 -2.81 0.00 0.00 176.34 173.98 1agq s SER 128 N -3.67 -0.11 0.28 4.39 0.15 -1.26 -4.87 113.70 108.61 1agq s SER 128 Ca -0.01 0.20 -0.29 0.00 0.70 0.00 0.00 55.95 56.55 1agq s SER 128 Cb 0.14 0.22 -0.10 0.00 -1.71 0.00 0.00 66.02 64.57 1agq s SER 128 CO 0.82 -0.05 1.14 0.00 1.20 0.00 0.00 173.24 176.35 1agq s ALA 129 N 0.02 3.42 -0.16 5.45 0.00 -0.32 -0.12 121.76 130.05 1agq s ALA 129 Ca -0.00 0.96 0.06 0.00 0.00 0.00 0.00 51.96 52.97 1agq s ALA 129 Cb -0.01 -3.36 -0.14 0.00 0.00 0.00 0.00 23.12 19.62 1agq s ALA 129 CO 0.00 -0.25 -0.08 1.17 0.00 0.00 0.00 175.76 176.60 1agq n LYS 130 N 1.25 0.94 -3.88 0.00 4.81 0.56 -4.47 118.16 117.37 1agq n LYS 130 Ca -0.00 0.06 -0.11 0.00 -0.87 0.00 0.00 58.31 57.38 1agq n LYS 130 Cb 0.44 -1.36 -0.11 0.00 0.02 0.00 0.00 35.03 34.02 1agq n LYS 130 CO 0.00 0.00 0.00 0.50 1.17 0.00 0.00 177.40 179.07 1agq s ARG 131 N -2.35 0.29 0.27 1.64 3.52 -1.11 -4.98 118.95 116.23 1agq s ARG 131 Ca -0.17 -0.20 0.10 0.00 -0.13 0.00 0.00 55.73 55.33 1agq s ARG 131 Cb 0.05 0.12 -0.04 0.00 -1.56 0.00 0.00 34.95 33.52 1agq s ARG 131 CO 0.47 -0.06 -0.04 0.00 -0.81 0.00 0.00 175.30 174.87 1agq s GLY 133 N -3.65 -0.39 -0.24 0.00 0.00 -0.37 -4.77 107.32 97.90 1agq s GLY 133 Ca 0.31 0.98 -0.21 0.00 0.00 0.00 0.00 44.72 45.79 1agq s GLY 133 CO 0.19 0.31 0.68 0.00 0.00 0.00 0.00 173.10 174.28