#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1agq s ASN 39 N 0.00 5.47 0.27 4.39 0.01 -1.26 -4.90 114.94 118.93 1agq s ASN 39 Ca 0.00 -3.52 0.23 0.00 -0.71 0.00 0.00 52.86 48.86 1agq s ASN 39 Cb 0.00 -1.82 1.03 0.00 0.41 0.00 0.00 41.25 40.87 1agq s ASN 39 CO 0.00 -0.21 1.69 0.54 -1.51 0.00 0.00 177.10 177.61 1agq n ARG 40 N 2.55 0.18 0.02 -0.60 5.12 -1.26 -2.40 116.66 120.28 1agq n ARG 40 Ca 0.17 0.49 0.13 0.00 -1.93 0.00 0.00 57.85 56.71 1agq n ARG 40 Cb 0.36 -1.89 0.54 0.00 -1.16 0.00 0.00 32.46 30.31 1agq n ARG 40 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 1agq n GLY 41 N -0.41 -1.47 3.49 -0.13 0.00 -1.26 -4.56 105.19 100.85 1agq n GLY 41 Ca 0.01 -0.07 -0.42 0.00 0.00 0.00 0.00 46.02 45.53 1agq n GLY 41 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1agq s VAL 43 N 4.65 2.01 -0.05 0.00 -7.23 -0.30 -4.83 120.40 114.65 1agq s VAL 43 Ca 0.28 -2.24 -0.19 0.00 -1.81 0.00 0.00 61.98 58.02 1agq s VAL 43 Cb -0.13 -2.11 -0.05 0.00 0.56 0.00 0.00 36.38 34.65 1agq s VAL 43 CO 0.13 -0.48 0.52 -0.22 -0.31 0.00 0.00 175.10 174.74 1agq s LEU 44 N -3.28 4.37 -0.05 1.32 2.96 -1.26 -2.09 118.68 120.65 1agq s LEU 44 Ca 0.24 0.99 0.04 0.00 -0.22 0.00 0.00 54.13 55.18 1agq s LEU 44 Cb -0.03 -2.78 -0.00 0.00 0.50 0.00 0.00 46.19 43.88 1agq s LEU 44 CO 0.10 0.09 -0.16 -0.89 -1.32 0.00 0.00 176.35 174.16 1agq s THR 45 N 0.02 1.40 0.03 3.68 2.01 0.36 -4.96 115.64 118.17 1agq s THR 45 Ca 0.28 -0.68 0.03 0.00 0.31 0.00 0.00 61.69 61.63 1agq s THR 45 Cb -0.17 -1.21 -0.04 0.00 0.01 0.00 0.00 72.50 71.09 1agq s THR 45 CO 0.14 0.41 -0.02 0.00 -0.69 0.00 0.00 174.62 174.45 1agq s ALA 46 N 0.16 3.19 -0.08 7.40 0.00 -1.26 -0.91 121.76 130.26 1agq s ALA 46 Ca -0.06 -1.02 -0.03 0.00 0.00 0.00 0.00 51.96 50.84 1agq s ALA 46 Cb -0.12 -1.23 0.04 0.00 0.00 0.00 0.00 23.12 21.81 1agq s ALA 46 CO 0.03 0.65 0.17 -1.50 0.00 0.00 0.00 175.76 175.11 1agq s ILE 47 N -1.12 -0.15 -0.12 0.00 2.07 0.16 -4.98 121.20 117.06 1agq s ILE 47 Ca 0.20 0.25 -0.29 0.00 -1.41 0.00 0.00 60.65 59.39 1agq s ILE 47 Cb -0.11 -0.29 -0.01 0.00 0.13 0.00 0.00 42.46 42.18 1agq s ILE 47 CO 0.11 0.10 1.03 -2.28 -1.91 0.00 0.00 174.94 172.00 1agq s HIS 48 N 1.66 3.46 0.19 3.50 5.65 -1.26 -0.40 115.29 128.08 1agq s HIS 48 Ca -0.04 1.54 0.02 0.00 0.25 0.00 0.00 55.06 56.83 1agq s HIS 48 Cb -0.12 -3.22 -0.05 0.00 -1.18 0.00 0.00 32.58 28.02 1agq s HIS 48 CO -0.06 -0.36 0.02 -0.51 -0.65 0.00 0.00 174.74 173.18 1agq s LEU 49 N 2.21 2.03 0.02 8.88 1.43 0.54 -4.95 118.68 128.84 1agq s LEU 49 Ca 0.48 -1.21 -0.11 0.00 -1.03 0.00 0.00 54.13 52.26 1agq s LEU 49 Cb -0.18 -0.05 -0.05 0.00 0.03 0.00 0.00 46.19 45.93 1agq s LEU 49 CO 0.16 -0.59 0.36 0.20 0.23 0.00 0.00 176.35 176.71 1agq s ASN 50 N -3.20 6.66 0.58 2.29 0.02 -1.26 -0.75 114.94 119.29 1agq s ASN 50 Ca 0.26 0.80 0.28 0.00 -1.02 0.00 0.00 52.86 53.18 1agq s ASN 50 Cb 0.06 -2.18 1.57 0.00 0.02 0.00 0.00 41.25 40.71 1agq s ASN 50 CO 0.06 0.27 2.03 0.58 0.02 0.00 0.00 177.10 180.05 1agq h VAL 51 N 3.34 0.48 0.00 1.60 2.07 -0.90 0.88 116.25 123.71 1agq h VAL 51 Ca -0.51 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.01 1agq h VAL 51 Cb 1.21 0.76 0.00 0.00 -1.52 0.00 0.00 31.29 31.74 1agq h VAL 51 CO 0.63 0.00 0.00 0.71 0.02 0.00 0.00 177.57 178.93 1agq h THR 52 N 0.00 0.00 0.00 2.57 1.35 -1.80 -2.63 112.91 112.40 1agq h THR 52 Ca 0.14 -0.48 0.00 0.00 -0.55 0.00 0.00 66.41 65.52 1agq h THR 52 Cb 0.74 1.40 0.00 0.00 -1.73 0.00 0.00 68.15 68.56 1agq h THR 52 CO -0.00 0.00 0.00 0.44 -0.25 0.00 0.00 175.52 175.71 1agq h ASP 53 N 0.00 0.00 0.72 5.36 3.32 0.42 -3.22 116.42 123.02 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 0.54 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.09 1agq h ASP 53 CO 0.00 0.00 0.00 0.18 -1.72 0.00 0.00 179.24 177.70 1agq n LEU 54 N -2.92 0.06 -1.29 1.55 4.77 -0.99 -4.90 117.00 113.29 1agq n LEU 54 Ca 0.02 0.51 -0.15 0.00 -0.03 0.00 0.00 56.01 56.36 1agq n LEU 54 Cb 0.35 -0.50 -0.05 0.00 -2.33 0.00 0.00 43.42 40.90 1agq n LEU 54 CO 0.28 -0.17 -0.15 0.61 -1.33 0.00 0.00 177.39 176.62 1agq n GLY 55 N 0.58 0.97 0.50 -0.72 0.00 -1.22 -4.88 105.19 100.43 1agq n GLY 55 Ca 0.05 -0.32 0.13 0.00 0.00 0.00 0.00 46.02 45.88 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 -1.79 1.56 0.00 0.99 4.32 -1.26 -4.93 117.00 115.89 1agq n LEU 56 Ca -0.15 -0.55 0.00 0.00 -0.02 0.00 0.00 56.01 55.29 1agq n LEU 56 Cb 0.53 -0.02 0.00 0.00 -1.62 0.00 0.00 43.42 42.31 1agq n LEU 56 CO 0.22 0.27 0.00 0.61 -1.22 0.00 0.00 177.39 177.27 1agq n GLY 57 N 1.17 0.72 3.74 -0.72 0.00 -1.26 -5.04 105.19 103.81 1agq n GLY 57 Ca 0.18 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.80 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 -2.39 3.93 -0.59 1.61 2.02 -1.26 -5.00 117.35 115.66 1agq s TYR 58 Ca 0.00 1.88 -0.05 0.00 -0.37 0.00 0.00 57.07 58.52 1agq s TYR 58 Cb 0.00 -3.01 0.15 0.00 -0.40 0.00 0.00 41.96 38.71 1agq s TYR 58 CO 0.00 0.36 0.43 -1.21 -1.57 0.00 0.00 175.55 173.57 1agq s GLU 59 N -0.78 2.61 0.22 -0.62 2.02 -1.26 -4.55 118.70 116.34 1agq s GLU 59 Ca 0.43 -2.28 -0.17 0.00 0.02 0.00 0.00 54.97 52.97 1agq s GLU 59 Cb -0.25 -3.84 0.02 0.00 0.10 0.00 0.00 34.13 30.16 1agq s GLU 59 CO 0.31 -1.18 0.55 -0.08 0.02 0.00 0.00 175.26 174.89 1agq s THR 60 N 0.40 0.02 -2.72 3.63 -1.32 -1.26 -0.10 115.64 114.28 1agq s THR 60 Ca 0.14 -0.92 0.23 0.00 -1.21 0.00 0.00 61.69 59.92 1agq s THR 60 Cb -0.20 -1.76 0.26 0.00 -1.51 0.00 0.00 72.50 69.29 1agq s THR 60 CO -0.04 -0.07 1.28 0.29 -2.21 0.00 0.00 174.62 173.87 1agq n LYS 61 N -0.37 2.30 -1.71 7.08 5.02 -1.26 -4.58 118.16 124.64 1agq n LYS 61 Ca -0.07 -2.01 -0.42 0.00 -2.02 0.00 0.00 58.31 53.78 1agq n LYS 61 Cb 0.62 -1.46 -0.01 0.00 -0.02 0.00 0.00 35.03 34.16 1agq n LYS 61 CO 0.00 0.00 0.00 -1.91 -0.52 0.00 0.00 177.40 174.97 1agq n GLU 62 N 1.35 2.21 -4.48 1.97 4.07 -1.26 -4.84 120.64 119.66 1agq n GLU 62 Ca 0.15 0.78 -0.23 0.00 -0.06 0.00 0.00 57.16 57.80 1agq n GLU 62 Cb 0.58 -2.39 -0.10 0.00 -0.06 0.00 0.00 31.44 29.47 1agq n GLU 62 CO 0.00 0.00 0.00 -1.21 -0.06 0.00 0.00 177.13 175.86 1agq s GLU 63 N -1.75 1.66 0.07 5.31 2.02 -1.26 -0.21 118.70 124.54 1agq s GLU 63 Ca 0.56 -1.86 -0.26 0.00 0.02 0.00 0.00 54.97 53.43 1agq s GLU 63 Cb -0.56 -1.30 0.09 0.00 0.10 0.00 0.00 34.13 32.45 1agq s GLU 63 CO 0.61 0.03 0.74 -0.48 0.02 0.00 0.00 175.26 176.18 1agq s LEU 64 N -3.51 -0.48 -0.42 1.80 2.34 0.07 -4.80 118.68 113.68 1agq s LEU 64 Ca 0.31 0.04 -0.18 0.00 0.06 0.00 0.00 54.13 54.37 1agq s LEU 64 Cb 0.04 2.33 0.02 0.00 -0.56 0.00 0.00 46.19 48.03 1agq s LEU 64 CO 0.14 -0.79 0.46 -0.63 -1.06 0.00 0.00 176.35 174.47 1agq s ILE 65 N -3.32 5.06 -0.07 1.48 -1.09 -1.26 -0.34 121.20 121.66 1agq s ILE 65 Ca 0.02 -0.27 -0.17 0.00 -2.23 0.00 0.00 60.65 58.01 1agq s ILE 65 Cb -0.01 -4.05 -0.05 0.00 -1.58 0.00 0.00 42.46 36.77 1agq s ILE 65 CO -0.10 -0.43 0.44 0.12 -1.23 0.00 0.00 174.94 173.74 1agq s PHE 66 N 2.21 3.61 -0.03 3.97 5.36 0.46 -4.88 117.98 128.68 1agq s PHE 66 Ca 0.13 0.92 0.06 0.00 -0.96 0.00 0.00 56.93 57.09 1agq s PHE 66 Cb -0.17 -2.43 -0.01 0.00 -0.34 0.00 0.00 43.02 40.07 1agq s PHE 66 CO 0.14 0.38 -0.22 1.03 -1.46 0.00 0.00 175.22 175.09 1agq s ARG 67 N -0.12 1.91 0.12 10.12 0.52 -1.26 -0.66 118.95 129.58 1agq s ARG 67 Ca 0.24 -0.78 0.03 0.00 -0.52 0.00 0.00 55.73 54.71 1agq s ARG 67 Cb -0.16 -1.77 -0.04 0.00 0.52 0.00 0.00 34.95 33.50 1agq s ARG 67 CO 0.11 0.43 -0.09 1.52 0.02 0.00 0.00 175.30 177.29 1agq s TYR 68 N -0.38 1.12 -0.10 -0.53 1.13 -0.09 -1.02 117.35 117.48 1agq s TYR 68 Ca 0.05 -0.79 -0.03 0.00 -1.41 0.00 0.00 57.07 54.89 1agq s TYR 68 Cb -0.10 -0.59 -0.03 0.00 -1.10 0.00 0.00 41.96 40.14 1agq s TYR 68 CO 0.00 -0.00 0.01 0.00 -2.51 0.00 0.00 175.55 173.05 1agq s SER 70 N -0.66 -0.54 0.00 0.00 1.04 -0.89 -4.73 113.70 107.92 1agq s SER 70 Ca 0.11 0.39 0.00 0.00 0.48 0.00 0.00 55.95 56.93 1agq s SER 70 Cb -0.12 0.48 0.00 0.00 0.10 0.00 0.00 66.02 66.49 1agq s SER 70 CO 0.02 -0.64 0.00 0.61 0.98 0.00 0.00 173.24 174.21 1agq n GLY 71 N 0.42 1.10 3.82 7.32 0.00 -1.26 -1.15 105.19 115.45 1agq n GLY 71 Ca -0.15 -1.98 -0.34 0.00 0.00 0.00 0.00 46.02 43.55 1agq n GLY 71 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1agq s SER 72 N 0.00 7.01 -0.27 1.61 0.01 -1.24 -4.44 113.70 116.38 1agq s SER 72 Ca 0.00 1.52 0.17 0.00 1.31 0.00 0.00 55.95 58.95 1agq s SER 72 Cb 0.00 -2.47 0.49 0.00 0.21 0.00 0.00 66.02 64.25 1agq s SER 72 CO 0.00 -0.15 1.14 0.00 0.41 0.00 0.00 173.24 174.65 1agq h GLU 74 N 2.40 0.30 -6.11 0.00 5.08 -1.94 -3.43 114.58 110.87 1agq h GLU 74 Ca 0.06 -0.02 -0.57 0.00 -1.00 0.00 0.00 59.36 57.84 1agq h GLU 74 Cb 1.38 -0.07 -0.05 0.00 0.50 0.00 0.00 28.75 30.51 1agq h GLU 74 CO 0.41 0.20 0.48 0.00 -1.00 0.00 0.00 179.01 179.09 1agq s ALA 75 N -5.30 3.46 0.22 3.43 0.00 -1.26 -5.01 121.76 117.29 1agq s ALA 75 Ca -0.07 0.22 -0.31 0.00 0.00 0.00 0.00 51.96 51.80 1agq s ALA 75 Cb 0.18 -3.33 -0.11 0.00 0.00 0.00 0.00 23.12 19.86 1agq s ALA 75 CO 0.71 -0.61 1.55 0.00 0.00 0.00 0.00 175.76 177.41 1agq s ALA 76 N 2.04 3.74 -0.18 0.00 0.00 -1.26 -4.85 121.76 121.26 1agq s ALA 76 Ca 0.44 1.42 0.02 0.00 0.00 0.00 0.00 51.96 53.83 1agq s ALA 76 Cb -0.17 -3.62 0.01 0.00 0.00 0.00 0.00 23.12 19.34 1agq s ALA 76 CO 0.15 -0.83 0.48 0.39 0.00 0.00 0.00 175.76 175.96 1agq n GLU 77 N 3.10 0.23 -4.21 0.00 1.02 -1.26 -4.82 120.64 114.70 1agq n GLU 77 Ca 0.11 -0.51 -0.12 0.00 -0.02 0.00 0.00 57.16 56.62 1agq n GLU 77 Cb 0.38 -0.97 -0.10 0.00 -0.02 0.00 0.00 31.44 30.74 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 -0.27 0.60 0.22 2.62 -4.23 -1.26 -5.03 115.64 108.30 1agq s THR 78 Ca 0.02 -1.96 -0.08 0.00 -1.18 0.00 0.00 61.69 58.49 1agq s THR 78 Cb 0.01 -1.97 0.19 0.00 1.34 0.00 0.00 72.50 72.06 1agq s THR 78 CO 0.02 -0.60 1.83 -0.03 -0.54 0.00 0.00 174.62 175.31 1agq h MET 79 N 2.80 1.20 -0.22 3.99 4.05 -1.99 -2.17 114.93 122.58 1agq h MET 79 Ca -0.36 -0.15 0.05 0.00 -0.28 0.00 0.00 59.70 58.95 1agq h MET 79 Cb 1.19 -0.23 -0.04 0.00 -0.80 0.00 0.00 31.60 31.72 1agq h MET 79 CO 0.63 0.90 -0.06 -0.92 0.23 0.00 0.00 176.91 177.68 1agq h TYR 80 N 1.20 -0.14 -0.10 1.39 3.20 -1.99 -1.46 116.97 119.07 1agq h TYR 80 Ca 0.30 0.02 -0.09 0.00 3.14 0.00 0.00 58.73 62.10 1agq h TYR 80 Cb 0.06 0.09 -0.01 0.00 1.54 0.00 0.00 36.73 38.41 1agq h TYR 80 CO 0.01 -0.11 -0.33 -0.44 -1.64 0.00 0.00 178.16 175.65 1agq h ASP 81 N -0.01 0.19 -0.50 -2.11 3.32 -1.91 -1.32 116.42 114.08 1agq h ASP 81 Ca 0.11 -0.07 -0.07 0.00 0.02 0.00 0.00 57.03 57.02 1agq h ASP 81 Cb 0.18 -0.05 -0.02 0.00 0.22 0.00 0.00 39.33 39.66 1agq h ASP 81 CO -0.23 0.52 0.03 0.11 -1.72 0.00 0.00 179.24 177.94 1agq h LYS 82 N 0.17 0.87 -0.41 3.56 1.57 -1.04 -2.08 116.57 119.21 1agq h LYS 82 Ca 0.02 -0.26 -0.02 0.00 -1.87 0.00 0.00 60.65 58.51 1agq h LYS 82 Cb 0.67 -0.09 -0.02 0.00 0.08 0.00 0.00 32.23 32.88 1agq h LYS 82 CO 0.05 0.89 0.16 0.82 -0.57 0.00 0.00 179.45 180.81 1agq h ILE 83 N 0.74 1.20 -0.84 1.86 2.04 -0.87 -1.32 117.51 120.31 1agq h ILE 83 Ca 0.15 -0.61 0.05 0.00 1.00 0.00 0.00 64.86 65.45 1agq h ILE 83 Cb 0.48 0.83 -0.06 0.00 -0.74 0.00 0.00 36.82 37.33 1agq h ILE 83 CO 0.02 0.22 0.53 -0.07 0.00 0.00 0.00 178.15 178.85 1agq h LEU 84 N 0.52 0.84 -0.57 1.44 3.38 -1.08 0.16 115.31 120.01 1agq h LEU 84 Ca 0.14 0.01 -0.04 0.00 0.09 0.00 0.00 57.88 58.08 1agq h LEU 84 Cb 0.19 -0.17 -0.02 0.00 0.09 0.00 0.00 40.66 40.75 1agq h LEU 84 CO -0.01 0.55 0.22 0.50 0.09 0.00 0.00 178.44 179.78 1agq h LYS 85 N 0.98 0.86 -0.46 1.13 3.64 -1.13 -1.01 116.57 120.57 1agq h LYS 85 Ca 0.36 -0.16 -0.13 0.00 -1.27 0.00 0.00 60.65 59.44 1agq h LYS 85 Cb 0.13 -0.14 -0.01 0.00 -0.41 0.00 0.00 32.23 31.80 1agq h LYS 85 CO -0.16 0.75 -0.23 -0.91 -2.27 0.00 0.00 179.45 176.64 1agq h ASN 86 N 0.79 1.00 0.62 4.20 2.35 -0.29 -2.12 115.58 122.14 1agq h ASN 86 Ca 0.19 -0.40 -0.07 0.00 -0.55 0.00 0.00 56.30 55.46 1agq h ASN 86 Cb 0.22 -0.28 -0.01 0.00 0.05 0.00 0.00 38.32 38.30 1agq h ASN 86 CO -0.01 1.19 -0.34 -0.07 -1.65 0.00 0.00 177.43 176.55 1agq h LEU 87 N 0.82 0.00 -0.12 1.61 3.38 -0.50 -1.36 115.31 119.14 1agq h LEU 87 Ca 0.10 0.00 -0.19 0.00 0.09 0.00 0.00 57.88 57.88 1agq h LEU 87 Cb 0.81 0.00 0.01 0.00 0.09 0.00 0.00 40.66 41.57 1agq h LEU 87 CO 0.07 0.34 -0.67 -1.28 0.09 0.00 0.00 178.44 176.99 1agq h SER 88 N 0.00 0.79 -0.21 -0.43 0.87 -1.01 -0.61 113.55 112.96 1agq h SER 88 Ca -0.00 -0.65 -0.06 0.00 -1.23 0.00 0.00 61.79 59.85 1agq h SER 88 Cb 0.74 -0.23 -0.02 0.00 -0.44 0.00 0.00 62.40 62.45 1agq h SER 88 CO 0.04 1.31 -0.04 -0.09 -0.53 0.00 0.00 176.83 177.52 1agq h ARG 89 N 0.32 0.53 -0.00 2.24 2.43 -1.11 -2.33 114.38 116.46 1agq h ARG 89 Ca -0.05 -0.13 0.00 0.00 -0.81 0.00 0.00 59.98 58.99 1agq h ARG 89 Cb 1.31 -0.07 0.00 0.00 -0.42 0.00 0.00 29.97 30.79 1agq h ARG 89 CO 0.14 0.59 -0.10 -1.13 -1.51 0.00 0.00 179.97 177.96 1agq n SER 90 N -4.25 0.48 -1.11 -3.80 3.41 -0.54 -4.93 113.62 102.88 1agq n SER 90 Ca 0.01 -0.62 -0.12 0.00 -0.26 0.00 0.00 58.87 57.88 1agq n SER 90 Cb 0.27 -0.07 -0.03 0.00 -0.26 0.00 0.00 64.21 64.12 1agq n SER 90 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 175.04 175.42 1agq n ARG 91 N -0.92 -0.87 0.02 4.33 5.12 -0.77 -4.88 116.66 118.68 1agq n ARG 91 Ca 0.15 0.75 0.11 0.00 -1.93 0.00 0.00 57.85 56.93 1agq n ARG 91 Cb 0.27 -4.82 0.03 0.00 -1.16 0.00 0.00 32.46 26.78 1agq n ARG 91 CO 0.00 0.00 0.00 0.54 -1.93 0.00 0.00 177.63 176.24 1agq n ARG 92 N -2.41 0.20 -3.14 5.56 5.12 -0.31 -4.72 116.66 116.96 1agq n ARG 92 Ca -0.13 -0.01 0.03 0.00 -1.93 0.00 0.00 57.85 55.81 1agq n ARG 92 Cb 0.49 -1.56 -0.00 0.00 -1.16 0.00 0.00 32.46 30.23 1agq n ARG 92 CO 0.00 0.00 0.00 -1.17 -1.93 0.00 0.00 177.63 174.53 1agq s LEU 93 N -3.62 -1.39 0.43 0.55 2.96 -0.94 -5.02 118.68 111.66 1agq s LEU 93 Ca 0.05 -0.29 -0.24 0.00 -0.22 0.00 0.00 54.13 53.43 1agq s LEU 93 Cb 0.15 1.81 -0.10 0.00 0.50 0.00 0.00 46.19 48.55 1agq s LEU 93 CO 0.80 -0.20 1.05 0.35 -1.32 0.00 0.00 176.35 177.02 1agq n THR 94 N 4.79 2.54 -1.31 3.68 -2.24 -1.26 -2.90 114.28 117.58 1agq n THR 94 Ca 0.08 -0.50 -0.08 0.00 -2.27 0.00 0.00 64.05 61.28 1agq n THR 94 Cb 0.56 -1.22 -0.07 0.00 -2.10 0.00 0.00 70.33 67.51 1agq n THR 94 CO 0.00 0.00 0.00 -0.24 -0.57 0.00 0.00 175.07 174.26 1agq n SER 95 N 0.38 -0.29 -1.57 3.42 2.88 -1.26 -4.91 113.62 112.27 1agq n SER 95 Ca 0.09 -1.86 0.00 0.00 -1.33 0.00 0.00 58.87 55.77 1agq n SER 95 Cb 0.40 -1.16 0.00 0.00 -0.75 0.00 0.00 64.21 62.69 1agq n SER 95 CO 0.00 0.00 0.00 0.52 -1.23 0.00 0.00 175.04 174.33 1agq n VAL 98 N 6.86 -4.02 -2.74 2.46 0.31 -1.26 -5.08 118.33 114.85 1agq n VAL 98 Ca 0.24 1.90 -0.43 0.00 -0.01 0.00 0.00 64.34 66.04 1agq n VAL 98 Cb 0.46 -2.83 -0.03 0.00 -0.91 0.00 0.00 33.84 30.53 1agq n VAL 98 CO 0.00 0.00 0.00 -0.83 -1.32 0.00 0.00 176.83 174.68 1agq s GLY 99 N -4.46 1.64 0.72 2.92 0.00 -1.26 -5.03 107.32 101.85 1agq s GLY 99 Ca 0.00 -0.10 -0.11 0.00 0.00 0.00 0.00 44.72 44.51 1agq s GLY 99 CO 0.00 2.08 1.10 1.20 0.00 0.00 0.00 173.10 177.48 1agq s GLN 100 N 3.30 2.72 0.52 2.90 1.11 -1.26 -5.01 119.66 123.93 1agq s GLN 100 Ca 0.41 0.46 -0.22 0.00 0.01 0.00 0.00 55.36 56.02 1agq s GLN 100 Cb -0.14 -2.01 -0.06 0.00 -1.01 0.00 0.00 33.01 29.80 1agq s GLN 100 CO 0.12 -1.14 1.27 0.00 0.01 0.00 0.00 175.29 175.55 1agq s ALA 101 N -3.35 2.83 0.12 6.09 0.00 -1.26 -5.03 121.76 121.15 1agq s ALA 101 Ca 0.59 1.15 0.06 0.00 0.00 0.00 0.00 51.96 53.76 1agq s ALA 101 Cb -0.11 -3.49 -0.04 0.00 0.00 0.00 0.00 23.12 19.48 1agq s ALA 101 CO 0.52 -1.09 -0.15 0.00 0.00 0.00 0.00 175.76 175.04 1agq s ARG 104 N 4.32 1.21 0.22 0.00 1.81 -0.52 -4.41 118.95 121.57 1agq s ARG 104 Ca 0.49 -1.46 -0.30 0.00 -1.72 0.00 0.00 55.73 52.74 1agq s ARG 104 Cb -0.09 0.32 -0.09 0.00 -0.45 0.00 0.00 34.95 34.63 1agq s ARG 104 CO 0.28 -0.42 1.26 -2.14 -0.68 0.00 0.00 175.30 173.60 1agq s PRO 105 N -4.09 4.43 -0.01 3.54 0.02 -1.26 -0.57 135.00 137.07 1agq s PRO 105 Ca 0.30 2.01 0.17 0.00 0.02 0.00 0.00 61.00 63.50 1agq s PRO 105 Cb 0.05 -3.19 -0.21 0.00 0.02 0.00 0.00 34.50 31.17 1agq s PRO 105 CO 0.08 -0.16 0.60 1.33 -0.33 0.00 0.00 177.00 178.52 1agq n VAL 106 N 2.22 0.00 -3.80 3.83 0.24 0.56 -4.82 118.33 116.55 1agq n VAL 106 Ca 0.04 -0.20 -0.12 0.00 -2.04 0.00 0.00 64.34 62.01 1agq n VAL 106 Cb 0.43 0.69 -0.10 0.00 -1.47 0.00 0.00 33.84 33.40 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 -2.80 -0.61 0.15 2.33 0.00 -1.12 -4.96 121.76 114.75 1agq s ALA 107 Ca 0.02 0.29 0.10 0.00 0.00 0.00 0.00 51.96 52.37 1agq s ALA 107 Cb 0.12 -0.05 -0.04 0.00 0.00 0.00 0.00 23.12 23.15 1agq s ALA 107 CO 0.70 -0.21 -0.18 -0.06 0.00 0.00 0.00 175.76 176.02 1agq s PHE 108 N -0.96 2.49 1.01 0.00 0.08 -1.26 -0.71 117.98 118.63 1agq s PHE 108 Ca -0.10 -0.28 -0.11 0.00 0.12 0.00 0.00 56.93 56.55 1agq s PHE 108 Cb -0.05 -1.27 0.20 0.00 -0.57 0.00 0.00 43.02 41.32 1agq s PHE 108 CO 0.02 0.45 1.08 -0.51 -0.10 0.00 0.00 175.22 176.16 1agq s ASP 109 N -2.46 2.27 0.66 1.36 1.01 0.85 -4.58 116.67 115.78 1agq s ASP 109 Ca 0.20 1.76 -0.16 0.00 0.71 0.00 0.00 52.55 55.06 1agq s ASP 109 Cb -0.09 -2.37 -0.00 0.00 1.01 0.00 0.00 42.92 41.46 1agq s ASP 109 CO 0.11 -3.44 1.14 -1.81 0.21 0.00 0.00 175.17 171.38 1agq s ASP 110 N -2.79 5.00 0.35 0.27 1.01 -1.26 -4.59 116.67 114.66 1agq s ASP 110 Ca 0.67 2.11 -0.26 0.00 0.71 0.00 0.00 52.55 55.78 1agq s ASP 110 Cb -0.22 -2.56 -0.13 0.00 1.01 0.00 0.00 42.92 41.01 1agq s ASP 110 CO 0.60 -1.71 0.92 0.47 0.21 0.00 0.00 175.17 175.67 1agq n ASP 111 N -2.30 0.87 -4.30 0.27 8.00 -1.26 -4.91 116.55 112.91 1agq n ASP 111 Ca 0.11 1.08 -0.35 0.00 0.71 0.00 0.00 54.79 56.34 1agq n ASP 111 Cb 0.51 -1.27 -0.14 0.00 -0.02 0.00 0.00 41.12 40.20 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 0.39 3.10 -0.07 0.64 2.96 -0.13 -4.94 118.68 120.63 1agq s LEU 112 Ca 0.61 -0.52 -0.01 0.00 -0.22 0.00 0.00 54.13 53.99 1agq s LEU 112 Cb -0.64 -1.75 -0.03 0.00 0.50 0.00 0.00 46.19 44.26 1agq s LEU 112 CO 0.58 -0.06 0.01 -0.44 -1.32 0.00 0.00 176.35 175.12 1agq s SER 113 N 1.46 5.28 0.10 3.68 0.01 -1.26 -0.06 113.70 122.91 1agq s SER 113 Ca 0.04 0.13 -0.25 0.00 1.31 0.00 0.00 55.95 57.19 1agq s SER 113 Cb -0.15 -1.48 0.08 0.00 0.21 0.00 0.00 66.02 64.68 1agq s SER 113 CO -0.02 0.36 0.74 0.72 0.41 0.00 0.00 173.24 175.45 1agq s PHE 114 N -0.93 -0.42 -0.12 2.43 -0.71 -0.52 -5.01 117.98 112.70 1agq s PHE 114 Ca 0.15 0.22 -0.03 0.00 -1.04 0.00 0.00 56.93 56.22 1agq s PHE 114 Cb -0.11 0.56 -0.03 0.00 -1.21 0.00 0.00 43.02 42.23 1agq s PHE 114 CO 0.04 -0.75 0.00 -0.51 -1.34 0.00 0.00 175.22 172.66 1agq s LEU 115 N -2.66 3.53 0.00 -1.99 1.43 -1.26 -1.10 118.68 116.62 1agq s LEU 115 Ca 0.04 0.05 -0.07 0.00 -1.03 0.00 0.00 54.13 53.12 1agq s LEU 115 Cb -0.01 -1.83 0.10 0.00 0.03 0.00 0.00 46.19 44.48 1agq s LEU 115 CO -0.09 0.28 0.62 -0.90 0.23 0.00 0.00 176.35 176.48 1agq n ASP 116 N 2.81 0.12 0.14 2.29 5.68 -0.11 -4.82 116.55 122.66 1agq n ASP 116 Ca -0.18 -1.27 0.17 0.00 -0.50 0.00 0.00 54.79 53.01 1agq n ASP 116 Cb 0.53 -0.46 0.75 0.00 -1.14 0.00 0.00 41.12 40.79 1agq n ASP 116 CO 0.00 0.00 0.00 0.44 -1.33 0.00 0.00 177.20 176.31 1agq h ASP 117 N -0.77 0.00 -0.52 -1.12 3.32 -0.85 0.11 116.42 116.59 1agq h ASP 117 Ca -0.20 0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.85 1agq h ASP 117 Cb 0.57 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.12 1agq h ASP 117 CO 0.15 0.00 0.00 -1.20 -1.72 0.00 0.00 179.24 176.47 1agq n SER 118 N -4.10 4.44 -0.59 6.45 7.64 -1.26 -4.91 113.62 121.29 1agq n SER 118 Ca 0.04 -2.53 -0.08 0.00 1.01 0.00 0.00 58.87 57.31 1agq n SER 118 Cb 0.41 -0.58 -0.03 0.00 -1.01 0.00 0.00 64.21 62.99 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 0.77 -0.21 -4.71 -3.43 4.32 0.40 -4.97 117.00 109.16 1agq n LEU 119 Ca 0.22 0.19 -0.42 0.00 -0.02 0.00 0.00 56.01 55.98 1agq n LEU 119 Cb 0.88 -2.06 -0.03 0.00 -1.62 0.00 0.00 43.42 40.59 1agq n LEU 119 CO 0.23 -0.75 0.70 -0.69 -1.22 0.00 0.00 177.39 175.67 1agq s VAL 120 N -1.94 4.71 0.15 4.08 1.01 -1.26 -4.70 120.40 122.46 1agq s VAL 120 Ca 0.00 1.99 -0.30 0.00 0.00 0.00 0.00 61.98 63.67 1agq s VAL 120 Cb 0.00 -4.27 -0.07 0.00 0.00 0.00 0.00 36.38 32.04 1agq s VAL 120 CO 0.00 0.18 1.03 -0.47 0.00 0.00 0.00 175.10 175.84 1agq s TYR 121 N 0.85 3.71 0.02 5.22 6.14 -1.26 -0.94 117.35 131.09 1agq s TYR 121 Ca 0.52 1.70 -0.01 0.00 0.64 0.00 0.00 57.07 59.92 1agq s TYR 121 Cb -0.22 -3.16 -0.02 0.00 0.42 0.00 0.00 41.96 38.98 1agq s TYR 121 CO 0.29 -0.20 -0.00 -1.01 0.64 0.00 0.00 175.55 175.26 1agq s HIS 122 N -0.17 0.23 -0.03 4.97 3.76 -0.26 -4.97 115.29 118.81 1agq s HIS 122 Ca 0.48 -0.47 0.01 0.00 -0.15 0.00 0.00 55.06 54.94 1agq s HIS 122 Cb -0.27 -0.17 0.01 0.00 1.11 0.00 0.00 32.58 33.27 1agq s HIS 122 CO 0.32 -0.21 -0.05 -1.50 -0.85 0.00 0.00 174.74 172.45 1agq s ILE 123 N -1.47 0.54 -0.22 0.60 2.07 -1.26 -1.43 121.20 120.03 1agq s ILE 123 Ca -0.16 -0.18 -0.08 0.00 -1.41 0.00 0.00 60.65 58.83 1agq s ILE 123 Cb -0.09 -0.53 -0.04 0.00 0.13 0.00 0.00 42.46 41.93 1agq s ILE 123 CO -0.01 0.20 0.08 -0.76 -1.91 0.00 0.00 174.94 172.54 1agq s LEU 124 N 0.55 3.68 -0.04 8.50 1.43 0.92 -4.94 118.68 128.78 1agq s LEU 124 Ca -0.07 -0.04 0.07 0.00 -1.03 0.00 0.00 54.13 53.05 1agq s LEU 124 Cb -0.11 -1.96 -0.01 0.00 0.03 0.00 0.00 46.19 44.14 1agq s LEU 124 CO 0.00 0.07 -0.25 -0.13 0.23 0.00 0.00 176.35 176.27 1agq s ARG 125 N 0.98 2.37 -1.38 1.70 0.52 -1.26 -0.96 118.95 120.91 1agq s ARG 125 Ca 0.04 -0.90 -0.01 0.00 -0.52 0.00 0.00 55.73 54.33 1agq s ARG 125 Cb -0.14 -2.10 -0.00 0.00 0.52 0.00 0.00 34.95 33.24 1agq s ARG 125 CO 0.03 0.44 0.46 1.63 0.02 0.00 0.00 175.30 177.87 1agq n LYS 126 N 2.78 -3.26 -0.00 3.54 5.02 -1.26 -4.87 118.16 120.10 1agq n LYS 126 Ca -0.17 0.42 0.07 0.00 -2.02 0.00 0.00 58.31 56.61 1agq n LYS 126 Cb 0.52 -4.53 -0.09 0.00 -0.02 0.00 0.00 35.03 30.91 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 -4.38 0.00 -3.82 2.13 1.44 -1.26 -5.00 115.22 104.32 1agq n HIS 127 Ca -0.30 0.00 -0.12 0.00 -2.01 0.00 0.00 57.72 55.29 1agq n HIS 127 Cb 0.68 -0.14 -0.12 0.00 0.12 0.00 0.00 29.99 30.54 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 -2.85 -0.15 0.34 4.39 0.15 -1.26 -4.86 113.70 109.46 1agq s SER 128 Ca 0.01 0.24 -0.26 0.00 0.70 0.00 0.00 55.95 56.64 1agq s SER 128 Cb 0.10 0.34 -0.09 0.00 -1.71 0.00 0.00 66.02 64.65 1agq s SER 128 CO 0.57 -0.14 1.02 0.00 1.20 0.00 0.00 173.24 175.89 1agq s ALA 129 N -0.24 3.22 -0.11 5.45 0.00 -0.19 -0.10 121.76 129.78 1agq s ALA 129 Ca -0.03 0.69 0.02 0.00 0.00 0.00 0.00 51.96 52.63 1agq s ALA 129 Cb -0.03 -3.25 -0.08 0.00 0.00 0.00 0.00 23.12 19.76 1agq s ALA 129 CO 0.01 -0.05 -0.08 1.17 0.00 0.00 0.00 175.76 176.81 1agq n LYS 130 N 0.54 0.64 -3.89 0.00 4.81 0.11 -4.42 118.16 115.95 1agq n LYS 130 Ca 0.02 0.06 -0.11 0.00 -0.87 0.00 0.00 58.31 57.40 1agq n LYS 130 Cb 0.48 -1.23 -0.13 0.00 0.02 0.00 0.00 35.03 34.18 1agq n LYS 130 CO 0.00 0.00 0.00 1.03 1.17 0.00 0.00 177.40 179.60 1agq s ARG 131 N -2.23 0.15 0.08 1.64 0.52 -1.06 -4.97 118.95 113.08 1agq s ARG 131 Ca -0.14 -0.15 0.05 0.00 -0.52 0.00 0.00 55.73 54.97 1agq s ARG 131 Cb 0.04 0.06 -0.04 0.00 0.52 0.00 0.00 34.95 35.53 1agq s ARG 131 CO 0.28 -0.03 -0.04 0.00 0.02 0.00 0.00 175.30 175.54 1agq s GLY 133 N -2.16 -0.55 -0.28 0.00 0.00 0.27 -4.74 107.32 99.86 1agq s GLY 133 Ca 0.23 0.94 -0.26 0.00 0.00 0.00 0.00 44.72 45.64 1agq s GLY 133 CO 0.16 0.47 0.90 0.00 0.00 0.00 0.00 173.10 174.63