#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1rfa n ASN 56 N 0.00 0.13 -4.16 -3.46 6.94 -1.26 -4.82 115.26 108.63 1rfa n ASN 56 Ca 0.00 -1.89 -0.10 0.00 -0.02 0.00 0.00 54.58 52.57 1rfa n ASN 56 Cb 0.00 -0.18 -0.10 0.00 -2.36 0.00 0.00 39.78 37.14 1rfa n ASN 56 CO 0.00 0.00 0.00 0.42 -1.03 0.00 0.00 177.26 176.65 1rfa s THR 57 N 0.00 0.50 0.30 5.53 -4.23 -1.26 -0.82 115.64 115.65 1rfa s THR 57 Ca 0.05 -1.91 -0.06 0.00 -1.18 0.00 0.00 61.69 58.59 1rfa s THR 57 Cb 0.06 -1.77 -0.00 0.00 1.34 0.00 0.00 72.50 72.13 1rfa s THR 57 CO -0.03 -0.78 0.45 -0.63 -0.54 0.00 0.00 174.62 173.10 1rfa s ILE 58 N -3.76 0.00 0.31 2.99 1.01 -1.18 0.01 121.20 120.58 1rfa s ILE 58 Ca 0.15 -1.56 0.11 0.00 0.00 0.00 0.00 60.65 59.34 1rfa s ILE 58 Cb 0.06 -2.50 -0.05 0.00 0.01 0.00 0.00 42.46 39.98 1rfa s ILE 58 CO -0.04 0.00 -0.12 -0.13 0.00 0.00 0.00 174.94 174.65 1rfa s ARG 59 N -3.45 1.82 -0.13 2.79 3.00 -0.86 0.78 118.95 122.90 1rfa s ARG 59 Ca 0.28 -1.80 -0.04 0.00 0.00 0.00 0.00 55.73 54.18 1rfa s ARG 59 Cb 0.00 -1.80 0.06 0.00 0.00 0.00 0.00 34.95 33.21 1rfa s ARG 59 CO 0.16 0.25 0.15 0.08 0.00 0.00 0.00 175.30 175.93 1rfa s VAL 60 N -2.53 -0.21 0.05 3.52 1.01 -0.72 0.17 120.40 121.69 1rfa s VAL 60 Ca 0.31 0.10 -0.13 0.00 0.00 0.00 0.00 61.98 62.27 1rfa s VAL 60 Cb -0.02 -0.45 -0.06 0.00 0.00 0.00 0.00 36.38 35.85 1rfa s VAL 60 CO 0.16 -0.05 0.43 -0.36 0.00 0.00 0.00 175.10 175.28 1rfa s PHE 61 N 2.25 3.66 0.51 5.22 0.40 0.95 -1.77 117.98 129.19 1rfa s PHE 61 Ca 0.04 0.93 0.07 0.00 -0.60 0.00 0.00 56.93 57.37 1rfa s PHE 61 Cb -0.14 -2.25 0.05 0.00 0.51 0.00 0.00 43.02 41.19 1rfa s PHE 61 CO -0.08 0.57 0.71 -0.51 0.70 0.00 0.00 175.22 176.60 1rfa s LEU 62 N -1.52 3.36 0.17 -0.37 1.02 0.15 -0.34 118.68 121.15 1rfa s LEU 62 Ca 0.29 -0.53 0.24 0.00 0.02 0.00 0.00 54.13 54.15 1rfa s LEU 62 Cb -0.15 -2.24 0.41 0.00 0.02 0.00 0.00 46.19 44.22 1rfa s LEU 62 CO 0.16 -1.10 1.41 -0.65 0.02 0.00 0.00 176.35 176.19 1rfa h PRO 63 N 0.32 0.00 -0.12 1.29 0.11 -1.87 -0.63 132.00 131.09 1rfa h PRO 63 Ca -0.36 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.75 1rfa h PRO 63 Cb 1.28 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.39 1rfa h PRO 63 CO 0.44 0.00 0.00 0.27 -0.21 0.00 0.00 178.00 178.50 1rfa n ASN 64 N -2.28 1.08 -1.36 -2.05 0.23 -1.26 -4.88 115.26 104.74 1rfa n ASN 64 Ca 0.03 -1.66 -0.00 0.00 -0.53 0.00 0.00 54.58 52.42 1rfa n ASN 64 Cb 0.46 -0.08 0.00 0.00 -2.08 0.00 0.00 39.78 38.08 1rfa n ASN 64 CO 0.00 0.00 0.00 0.29 -0.93 0.00 0.00 177.26 176.62 1rfa n LYS 65 N -0.05 -0.07 -1.21 -3.83 4.01 -0.24 -5.08 118.16 111.69 1rfa n LYS 65 Ca 0.14 0.02 0.00 0.00 -0.51 0.00 0.00 58.31 57.96 1rfa n LYS 65 Cb 0.23 -1.93 0.00 0.00 -0.51 0.00 0.00 35.03 32.82 1rfa n LYS 65 CO 0.00 0.00 0.00 1.04 -1.11 0.00 0.00 177.40 177.33 1rfa n GLN 66 N -1.37 1.41 -3.84 1.97 1.13 -1.23 -4.84 117.38 110.62 1rfa n GLN 66 Ca -0.00 0.00 -0.06 0.00 -1.94 0.00 0.00 57.00 55.00 1rfa n GLN 66 Cb 0.50 0.00 0.01 0.00 0.11 0.00 0.00 30.24 30.87 1rfa n GLN 66 CO 0.00 0.00 0.00 -0.98 -1.44 0.00 0.00 177.06 174.64 1rfa s ARG 67 N -0.81 1.74 0.01 -1.09 1.04 -1.26 0.32 118.95 118.91 1rfa s ARG 67 Ca 0.00 -1.10 -0.27 0.00 -1.04 0.00 0.00 55.73 53.32 1rfa s ARG 67 Cb 0.00 0.50 0.09 0.00 -2.04 0.00 0.00 34.95 33.50 1rfa s ARG 67 CO 0.00 -0.81 1.25 -0.08 -0.04 0.00 0.00 175.30 175.61 1rfa s THR 68 N -2.47 0.00 0.20 4.99 -1.32 -0.73 -4.91 115.64 111.40 1rfa s THR 68 Ca 0.17 -0.23 0.11 0.00 -1.21 0.00 0.00 61.69 60.53 1rfa s THR 68 Cb -0.04 -2.99 -0.04 0.00 -1.51 0.00 0.00 72.50 67.92 1rfa s THR 68 CO 0.08 0.00 -0.19 0.54 -2.21 0.00 0.00 174.62 172.84 1rfa s VAL 69 N -2.02 2.65 0.35 5.08 0.11 -1.26 -1.75 120.40 123.56 1rfa s VAL 69 Ca 0.29 -1.94 0.07 0.00 -2.93 0.00 0.00 61.98 57.48 1rfa s VAL 69 Cb -0.01 -2.30 -0.07 0.00 -1.53 0.00 0.00 36.38 32.48 1rfa s VAL 69 CO 0.00 -0.14 -0.03 -0.69 -3.33 0.00 0.00 175.10 170.92 1rfa s VAL 70 N -1.75 1.89 -0.03 2.04 1.01 0.23 -4.90 120.40 118.89 1rfa s VAL 70 Ca 0.23 -2.09 0.01 0.00 0.00 0.00 0.00 61.98 60.13 1rfa s VAL 70 Cb -0.08 -2.75 0.01 0.00 0.00 0.00 0.00 36.38 33.57 1rfa s VAL 70 CO 0.12 -0.12 -0.05 0.20 0.00 0.00 0.00 175.10 175.25 1rfa s ASN 71 N -3.59 0.87 -0.03 3.32 0.01 -1.26 -3.10 114.94 111.16 1rfa s ASN 71 Ca 0.33 -0.12 0.07 0.00 -0.71 0.00 0.00 52.86 52.43 1rfa s ASN 71 Cb 0.06 -0.34 -0.01 0.00 0.41 0.00 0.00 41.25 41.36 1rfa s ASN 71 CO 0.16 -0.02 -0.23 -0.69 -1.51 0.00 0.00 177.10 174.81 1rfa s VAL 72 N 0.61 1.85 0.53 1.60 1.01 -0.00 -4.98 120.40 121.01 1rfa s VAL 72 Ca -0.08 -0.99 0.03 0.00 0.00 0.00 0.00 61.98 60.94 1rfa s VAL 72 Cb -0.11 -1.55 0.02 0.00 0.00 0.00 0.00 36.38 34.74 1rfa s VAL 72 CO 0.00 0.52 0.19 -0.13 0.00 0.00 0.00 175.10 175.68 1rfa s ARG 73 N -0.41 2.23 -0.60 2.72 3.00 -1.26 -4.76 118.95 119.86 1rfa s ARG 73 Ca 0.05 -2.25 -0.28 0.00 0.00 0.00 0.00 55.73 53.25 1rfa s ARG 73 Cb -0.10 -1.78 0.03 0.00 0.00 0.00 0.00 34.95 33.10 1rfa s ARG 73 CO 0.00 -0.50 1.21 0.54 0.00 0.00 0.00 175.30 176.55 1rfa s ASN 74 N -4.08 6.40 0.00 0.23 4.22 -1.26 -2.53 114.94 117.93 1rfa s ASN 74 Ca 0.17 0.02 0.00 0.00 -2.14 0.00 0.00 52.86 50.91 1rfa s ASN 74 Cb -0.01 -2.55 0.00 0.00 1.28 0.00 0.00 41.25 39.97 1rfa s ASN 74 CO 0.10 -1.54 0.00 0.61 -2.04 0.00 0.00 177.10 174.23 1rfa n GLY 75 N 5.11 1.68 3.87 0.45 0.00 -1.26 -5.11 105.19 109.93 1rfa n GLY 75 Ca 0.08 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.75 1rfa n GLY 75 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 1rfa s MET 76 N -0.03 3.73 0.22 1.61 -1.94 -1.05 -5.08 119.30 116.76 1rfa s MET 76 Ca 0.00 0.13 0.11 0.00 -1.71 0.00 0.00 55.69 54.22 1rfa s MET 76 Cb 0.00 -3.00 -0.05 0.00 2.01 0.00 0.00 34.83 33.80 1rfa s MET 76 CO 0.00 0.56 -0.21 -1.12 -0.01 0.00 0.00 175.02 174.24 1rfa s SER 77 N -1.79 3.30 0.15 3.03 0.01 -1.26 -4.29 113.70 112.85 1rfa s SER 77 Ca 0.33 -0.93 -0.31 0.00 1.31 0.00 0.00 55.95 56.35 1rfa s SER 77 Cb -0.14 -0.25 -0.07 0.00 0.21 0.00 0.00 66.02 65.78 1rfa s SER 77 CO 0.18 0.05 1.54 -0.07 0.41 0.00 0.00 173.24 175.35 1rfa h LEU 78 N 2.85 -2.01 0.22 2.44 -0.00 -1.05 1.77 115.31 119.52 1rfa h LEU 78 Ca -0.43 0.30 -0.01 0.00 -0.00 0.00 0.00 57.88 57.74 1rfa h LEU 78 Cb 1.23 0.88 0.00 0.00 -0.00 0.00 0.00 40.66 42.76 1rfa h LEU 78 CO 0.53 -0.29 -0.11 0.45 -0.00 0.00 0.00 178.44 179.02 1rfa h HIS 79 N -0.14 -0.27 0.00 1.13 3.86 -1.10 0.82 115.15 119.45 1rfa h HIS 79 Ca 0.14 -0.01 0.00 0.00 -1.16 0.00 0.00 60.37 59.34 1rfa h HIS 79 Cb 0.49 0.09 0.00 0.00 1.06 0.00 0.00 27.41 29.05 1rfa h HIS 79 CO -0.91 -0.17 0.00 -0.44 0.86 0.00 0.00 177.93 177.27 1rfa h ASP 80 N -0.30 0.00 0.39 2.45 5.19 -0.82 0.71 116.42 124.04 1rfa h ASP 80 Ca -0.03 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.38 1rfa h ASP 80 Cb 0.23 0.00 0.00 0.00 0.18 0.00 0.00 39.33 39.74 1rfa h ASP 80 CO 0.05 0.00 -1.43 0.00 -3.12 0.00 0.00 179.24 174.74 1rfa n LEU 82 N -2.27 0.08 0.00 0.00 4.77 0.27 -3.78 117.00 116.08 1rfa n LEU 82 Ca -0.01 -0.05 0.07 0.00 -0.03 0.00 0.00 56.01 55.99 1rfa n LEU 82 Cb 0.52 0.00 0.35 0.00 -2.33 0.00 0.00 43.42 41.96 1rfa n LEU 82 CO 0.43 0.02 0.71 0.80 -1.33 0.00 0.00 177.39 178.01 1rfa n MET 83 N -2.01 0.14 0.09 3.23 1.56 0.24 0.81 117.12 121.19 1rfa n MET 83 Ca -0.02 0.18 -0.05 0.00 -0.27 0.00 0.00 57.70 57.54 1rfa n MET 83 Cb 0.42 -1.50 -0.02 0.00 2.15 0.00 0.00 33.22 34.27 1rfa n MET 83 CO 0.00 0.00 0.00 0.87 -0.73 0.00 0.00 175.97 176.11 1rfa h LYS 84 N 0.00 -0.30 0.44 2.12 6.56 -1.66 -3.31 116.57 120.42 1rfa h LYS 84 Ca 0.00 0.02 -0.01 0.00 -1.06 0.00 0.00 60.65 59.60 1rfa h LYS 84 Cb 0.17 0.07 -0.02 0.00 -0.57 0.00 0.00 32.23 31.88 1rfa h LYS 84 CO 0.00 -0.20 -0.42 0.00 -2.06 0.00 0.00 179.45 176.77 1rfa h ALA 85 N -1.22 -0.94 0.00 3.86 0.00 -0.23 -1.16 119.26 119.57 1rfa h ALA 85 Ca -0.03 -0.16 -0.12 0.00 0.00 0.00 0.00 54.91 54.60 1rfa h ALA 85 Cb 0.24 0.60 -0.02 0.00 0.00 0.00 0.00 17.79 18.61 1rfa h ALA 85 CO 0.05 -1.06 -0.57 -0.07 0.00 0.00 0.00 179.25 177.59 1rfa h LEU 86 N -0.87 0.00 -0.34 0.00 3.38 0.16 -0.35 115.31 117.29 1rfa h LEU 86 Ca -0.04 0.00 0.06 0.00 0.09 0.00 0.00 57.88 57.98 1rfa h LEU 86 Cb 0.77 0.00 -0.05 0.00 0.09 0.00 0.00 40.66 41.47 1rfa h LEU 86 CO -0.05 0.57 0.03 0.50 0.09 0.00 0.00 178.44 179.58 1rfa h LYS 87 N 0.00 0.13 -0.47 1.13 3.11 -1.54 1.20 116.57 120.12 1rfa h LYS 87 Ca -0.01 -0.01 -0.03 0.00 -2.81 0.00 0.00 60.65 57.80 1rfa h LYS 87 Cb 1.15 -0.03 -0.02 0.00 -1.00 0.00 0.00 32.23 32.32 1rfa h LYS 87 CO 0.07 0.09 0.18 0.28 -2.81 0.00 0.00 179.45 177.26 1rfa h VAL 88 N 0.13 1.18 0.06 2.00 2.07 0.16 -2.94 116.25 118.90 1rfa h VAL 88 Ca 0.16 -0.57 -0.28 0.00 0.82 0.00 0.00 66.70 66.83 1rfa h VAL 88 Cb 0.21 0.63 -0.03 0.00 -1.52 0.00 0.00 31.29 30.58 1rfa h VAL 88 CO -0.25 0.22 -1.49 0.03 0.02 0.00 0.00 177.57 176.10 1rfa h ARG 89 N 0.67 0.12 0.00 1.57 3.08 -0.42 -3.48 114.38 115.91 1rfa h ARG 89 Ca 0.16 -0.20 0.00 0.00 0.07 0.00 0.00 59.98 60.01 1rfa h ARG 89 Cb 0.15 0.07 0.00 0.00 0.08 0.00 0.00 29.97 30.27 1rfa h ARG 89 CO -0.01 0.90 0.00 0.41 -1.07 0.00 0.00 179.97 180.20 1rfa n GLY 90 N 1.58 0.99 3.40 0.04 0.00 0.35 -5.07 105.19 106.49 1rfa n GLY 90 Ca -0.14 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.67 1rfa n GLY 90 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1rfa s LEU 91 N 0.00 1.83 0.20 0.99 1.02 0.20 -5.01 118.68 117.91 1rfa s LEU 91 Ca 0.00 -1.58 0.09 0.00 0.02 0.00 0.00 54.13 52.66 1rfa s LEU 91 Cb 0.00 0.06 -0.04 0.00 0.02 0.00 0.00 46.19 46.22 1rfa s LEU 91 CO 0.00 -0.88 -0.19 0.00 0.02 0.00 0.00 176.35 175.30 1rfa s GLN 92 N -3.77 1.39 -0.02 1.70 -2.07 -1.26 -4.00 119.66 111.63 1rfa s GLN 92 Ca 0.32 -1.52 0.22 0.00 -1.82 0.00 0.00 55.36 52.56 1rfa s GLN 92 Cb 0.04 -1.45 -0.32 0.00 -1.09 0.00 0.00 33.01 30.19 1rfa s GLN 92 CO 0.17 0.29 0.55 -0.35 -1.32 0.00 0.00 175.29 174.62 1rfa n PRO 93 N 0.01 0.55 0.25 9.60 -0.04 -1.26 -4.24 135.00 139.88 1rfa n PRO 93 Ca -0.11 -0.17 0.16 0.00 -0.04 0.00 0.00 63.50 63.35 1rfa n PRO 93 Cb 0.58 -1.52 0.64 0.00 -0.04 0.00 0.00 33.50 33.17 1rfa n PRO 93 CO 0.00 0.00 0.00 0.93 -0.04 0.00 0.00 175.50 176.39 1rfa h GLU 94 N 0.00 0.00 -0.46 0.54 3.07 -1.98 0.03 114.58 115.78 1rfa h GLU 94 Ca 0.00 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 58.86 1rfa h GLU 94 Cb 0.92 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.83 1rfa h GLU 94 CO 0.00 0.00 0.00 0.00 -1.40 0.00 0.00 179.01 177.61 1rfa s ALA 97 N -3.18 1.22 0.15 0.00 0.00 -0.24 -4.37 121.76 115.34 1rfa s ALA 97 Ca 0.36 -0.49 0.04 0.00 0.00 0.00 0.00 51.96 51.87 1rfa s ALA 97 Cb 0.09 -0.45 -0.04 0.00 0.00 0.00 0.00 23.12 22.72 1rfa s ALA 97 CO 0.16 0.19 0.15 0.54 0.00 0.00 0.00 175.76 176.80 1rfa s VAL 98 N 0.24 4.64 0.12 0.00 0.11 -1.26 0.12 120.40 124.38 1rfa s VAL 98 Ca -0.06 -0.97 -0.06 0.00 -2.93 0.00 0.00 61.98 57.96 1rfa s VAL 98 Cb -0.11 -3.36 -0.02 0.00 -1.53 0.00 0.00 36.38 31.36 1rfa s VAL 98 CO 0.02 -0.07 0.17 -0.36 -3.33 0.00 0.00 175.10 171.53 1rfa s PHE 99 N -1.70 0.41 -0.02 1.54 0.40 0.14 -2.63 117.98 116.12 1rfa s PHE 99 Ca 0.31 -0.82 -0.11 0.00 -0.60 0.00 0.00 56.93 55.71 1rfa s PHE 99 Cb -0.11 -0.17 -0.05 0.00 0.51 0.00 0.00 43.02 43.20 1rfa s PHE 99 CO 0.24 -0.58 0.33 1.03 0.70 0.00 0.00 175.22 176.94 1rfa s ARG 100 N -3.94 3.75 0.77 0.44 0.52 0.28 -0.83 118.95 119.93 1rfa s ARG 100 Ca 0.13 0.20 -0.09 0.00 -0.52 0.00 0.00 55.73 55.45 1rfa s ARG 100 Cb 0.05 -3.17 0.08 0.00 0.52 0.00 0.00 34.95 32.44 1rfa s ARG 100 CO -0.05 0.69 1.10 -0.51 0.02 0.00 0.00 175.30 176.56 1rfa s LEU 101 N -1.25 2.69 -1.31 2.53 1.43 -1.07 -0.21 118.68 121.49 1rfa s LEU 101 Ca 0.23 0.53 -0.15 0.00 -1.03 0.00 0.00 54.13 53.72 1rfa s LEU 101 Cb -0.15 -3.06 0.10 0.00 0.03 0.00 0.00 46.19 43.12 1rfa s LEU 101 CO 0.12 -1.83 1.78 0.00 0.23 0.00 0.00 176.35 176.66 1rfa n LEU 102 N -3.14 5.64 -0.99 1.79 -0.00 -1.26 -4.24 117.00 114.79 1rfa n LEU 102 Ca 0.09 -4.20 0.08 0.00 -0.00 0.00 0.00 56.01 51.97 1rfa n LEU 102 Cb 0.61 -1.66 0.24 0.00 -0.00 0.00 0.00 43.42 42.61 1rfa n LEU 102 CO 0.53 0.66 0.71 0.00 -0.00 0.00 0.00 177.39 179.29 1rfa n HIS 103 N 6.60 0.86 -1.80 1.47 1.44 -1.26 -4.35 115.22 118.18 1rfa n HIS 103 Ca 0.45 -0.61 0.00 0.00 -2.01 0.00 0.00 57.72 55.56 1rfa n HIS 103 Cb 0.42 -0.14 0.00 0.00 0.12 0.00 0.00 29.99 30.40 1rfa n HIS 103 CO 0.00 0.00 0.00 -0.85 -2.81 0.00 0.00 176.34 172.68 1rfa n GLU 104 N 0.55 0.00 -4.27 -1.40 0.28 -1.26 -5.12 120.64 109.42 1rfa n GLU 104 Ca 0.18 0.00 -0.19 0.00 -0.16 0.00 0.00 57.16 56.99 1rfa n GLU 104 Cb 0.66 0.00 -0.08 0.00 1.43 0.00 0.00 31.44 33.45 1rfa n GLU 104 CO 0.00 0.00 0.00 -1.01 -0.16 0.00 0.00 177.13 175.96 1rfa s HIS 105 N 0.00 1.72 -0.03 -1.84 0.09 -1.26 -5.10 115.29 108.87 1rfa s HIS 105 Ca 0.00 -1.64 -0.01 0.00 -0.00 0.00 0.00 55.06 53.41 1rfa s HIS 105 Cb 0.00 -0.68 0.03 0.00 -0.00 0.00 0.00 32.58 31.93 1rfa s HIS 105 CO 0.00 -0.88 0.05 0.21 -0.00 0.00 0.00 174.74 174.12 1rfa s LYS 106 N -3.43 -0.04 0.00 1.40 2.47 -1.26 -4.79 119.74 114.09 1rfa s LYS 106 Ca 0.40 0.29 0.00 0.00 -1.56 0.00 0.00 55.97 55.10 1rfa s LYS 106 Cb 0.02 -0.35 0.00 0.00 -1.46 0.00 0.00 37.83 36.05 1rfa s LYS 106 CO 0.27 -0.24 0.00 0.41 0.16 0.00 0.00 175.35 175.95 1rfa n GLY 107 N 4.67 2.99 0.00 5.54 0.00 -1.26 -4.90 105.19 112.23 1rfa n GLY 107 Ca -0.17 -0.80 0.00 0.00 0.00 0.00 0.00 46.02 45.04 1rfa n GLY 107 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1rfa n LYS 108 N 0.00 3.58 -3.85 1.61 5.02 -1.26 -5.11 118.16 118.14 1rfa n LYS 108 Ca 0.00 0.00 -0.10 0.00 -2.02 0.00 0.00 58.31 56.19 1rfa n LYS 108 Cb 0.00 0.00 -0.09 0.00 -0.02 0.00 0.00 35.03 34.92 1rfa n LYS 108 CO 0.00 0.00 0.00 0.15 -0.52 0.00 0.00 177.40 177.03 1rfa s LYS 109 N 2.10 0.67 -0.27 1.97 1.02 -1.26 -4.19 119.74 119.77 1rfa s LYS 109 Ca 0.00 -0.62 -0.19 0.00 0.02 0.00 0.00 55.97 55.18 1rfa s LYS 109 Cb 0.00 0.28 -0.02 0.00 -0.52 0.00 0.00 37.83 37.57 1rfa s LYS 109 CO 0.00 -0.19 0.58 0.00 -0.92 0.00 0.00 175.35 174.83 1rfa s ALA 110 N -2.47 3.59 0.19 5.17 0.00 0.70 -4.91 121.76 124.04 1rfa s ALA 110 Ca -0.06 -0.54 -0.07 0.00 0.00 0.00 0.00 51.96 51.29 1rfa s ALA 110 Cb -0.02 -2.99 -0.06 0.00 0.00 0.00 0.00 23.12 20.05 1rfa s ALA 110 CO -0.03 -0.83 0.48 0.50 0.00 0.00 0.00 175.76 175.87 1rfa s ARG 111 N 2.45 3.72 0.00 0.00 3.00 -1.26 0.99 118.95 127.84 1rfa s ARG 111 Ca 0.24 0.11 0.00 0.00 -1.00 0.00 0.00 55.73 55.08 1rfa s ARG 111 Cb -0.15 -2.73 0.00 0.00 0.00 0.00 0.00 34.95 32.06 1rfa s ARG 111 CO 0.09 0.38 0.00 1.28 0.00 0.00 0.00 175.30 177.05 1rfa n LEU 112 N -0.07 0.00 -5.01 -0.88 4.77 -1.08 -4.87 117.00 109.86 1rfa n LEU 112 Ca -0.01 0.00 -0.22 0.00 -0.03 0.00 0.00 56.01 55.76 1rfa n LEU 112 Cb 0.52 0.00 0.08 0.00 -2.33 0.00 0.00 43.42 41.69 1rfa n LEU 112 CO 0.47 0.00 0.44 -0.62 -1.33 0.00 0.00 177.39 176.34 1rfa s ASP 113 N -0.94 4.76 0.00 -1.43 2.15 -1.26 -4.84 116.67 115.11 1rfa s ASP 113 Ca 0.00 -0.53 0.10 0.00 0.43 0.00 0.00 52.55 52.55 1rfa s ASP 113 Cb 0.00 0.02 0.12 0.00 -0.30 0.00 0.00 42.92 42.76 1rfa s ASP 113 CO 0.00 -1.56 0.91 0.79 -0.17 0.00 0.00 175.17 175.14 1rfa n TRP 114 N -2.52 0.09 -1.29 -5.34 5.03 -1.26 -3.82 117.44 108.32 1rfa n TRP 114 Ca 0.14 -0.10 0.07 0.00 3.03 0.00 0.00 57.50 60.65 1rfa n TRP 114 Cb 0.61 -0.01 0.18 0.00 -1.03 0.00 0.00 31.31 31.06 1rfa n TRP 114 CO 0.00 0.00 0.00 -1.71 -0.03 0.00 0.00 177.69 175.95 1rfa n ASN 115 N 0.57 2.23 -4.77 -0.99 5.15 -1.26 -0.49 115.26 115.69 1rfa n ASN 115 Ca 0.07 -3.44 -0.38 0.00 -0.60 0.00 0.00 54.58 50.23 1rfa n ASN 115 Cb 0.29 -0.49 -0.03 0.00 -0.53 0.00 0.00 39.78 39.02 1rfa n ASN 115 CO 0.00 0.00 0.00 -0.89 1.40 0.00 0.00 177.26 177.77 1rfa s THR 116 N -3.04 3.51 -0.82 -0.44 2.01 -1.25 -4.23 115.64 111.38 1rfa s THR 116 Ca 0.36 1.26 -0.25 0.00 0.31 0.00 0.00 61.69 63.37 1rfa s THR 116 Cb 0.33 -3.70 -0.02 0.00 0.01 0.00 0.00 72.50 69.12 1rfa s THR 116 CO -0.01 0.10 1.81 -1.81 -0.69 0.00 0.00 174.62 174.03 1rfa s ASP 117 N -1.31 5.43 0.18 3.53 1.11 -1.26 -0.70 116.67 123.65 1rfa s ASP 117 Ca 0.55 -0.48 0.18 0.00 0.18 0.00 0.00 52.55 52.98 1rfa s ASP 117 Cb -0.26 -2.55 0.81 0.00 1.07 0.00 0.00 42.92 41.98 1rfa s ASP 117 CO 0.33 -2.41 1.54 0.00 1.18 0.00 0.00 175.17 175.81 1rfa n ALA 118 N 12.63 1.42 1.50 5.23 0.00 -1.26 0.55 120.51 140.58 1rfa n ALA 118 Ca 0.31 0.07 0.15 0.00 0.00 0.00 0.00 53.44 53.97 1rfa n ALA 118 Cb 0.49 -1.28 0.76 0.00 0.00 0.00 0.00 19.45 19.42 1rfa n ALA 118 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1rfa n ALA 119 N -1.68 2.56 0.21 0.00 0.00 -1.26 -1.31 120.51 119.03 1rfa n ALA 119 Ca 0.01 -0.17 0.10 0.00 0.00 0.00 0.00 53.44 53.38 1rfa n ALA 119 Cb 0.14 -1.47 -0.14 0.00 0.00 0.00 0.00 19.45 17.98 1rfa n ALA 119 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.50 177.93 1rfa n SER 120 N -1.19 0.57 -1.51 0.00 7.64 0.19 -3.83 113.62 115.49 1rfa n SER 120 Ca 0.16 -0.22 0.08 0.00 1.01 0.00 0.00 58.87 59.89 1rfa n SER 120 Cb 0.23 1.69 0.35 0.00 -1.01 0.00 0.00 64.21 65.47 1rfa n SER 120 CO 0.00 0.00 0.00 0.18 -3.01 0.00 0.00 175.04 172.21 1rfa n LEU 121 N -2.02 4.81 -4.75 -3.43 7.99 -0.65 -4.97 117.00 113.98 1rfa n LEU 121 Ca -0.02 -2.65 -0.41 0.00 -0.01 0.00 0.00 56.01 52.92 1rfa n LEU 121 Cb 0.47 -0.58 -0.03 0.00 -0.11 0.00 0.00 43.42 43.17 1rfa n LEU 121 CO 0.41 0.74 1.01 -0.51 -1.51 0.00 0.00 177.39 177.53 1rfa s ILE 122 N -2.21 2.91 -0.02 -0.08 1.10 -0.42 -2.90 121.20 119.58 1rfa s ILE 122 Ca 0.49 0.80 -0.00 0.00 -0.51 0.00 0.00 60.65 61.43 1rfa s ILE 122 Cb 0.34 -3.51 0.00 0.00 0.15 0.00 0.00 42.46 39.44 1rfa s ILE 122 CO 0.19 0.15 0.02 0.61 -2.11 0.00 0.00 174.94 173.80 1rfa n GLY 123 N 1.82 0.88 1.94 1.50 0.00 0.10 -4.70 105.19 106.73 1rfa n GLY 123 Ca 0.04 -0.64 -0.13 0.00 0.00 0.00 0.00 46.02 45.29 1rfa n GLY 123 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1rfa n GLU 124 N -0.63 0.38 -4.67 1.61 -0.58 -1.14 -5.03 120.64 110.58 1rfa n GLU 124 Ca -0.00 -2.01 -0.33 0.00 -0.42 0.00 0.00 57.16 54.40 1rfa n GLU 124 Cb 0.50 1.48 -0.16 0.00 -0.57 0.00 0.00 31.44 32.70 1rfa n GLU 124 CO 0.00 0.00 0.00 -1.21 -0.48 0.00 0.00 177.13 175.44 1rfa s GLU 125 N -2.84 3.19 0.40 3.49 2.02 -1.26 -2.03 118.70 121.67 1rfa s GLU 125 Ca 0.20 -0.77 0.08 0.00 0.02 0.00 0.00 54.97 54.50 1rfa s GLU 125 Cb 0.01 -2.56 -0.03 0.00 0.10 0.00 0.00 34.13 31.65 1rfa s GLU 125 CO 0.14 0.06 0.31 -0.51 0.02 0.00 0.00 175.26 175.28 1rfa s LEU 126 N 0.69 3.35 0.07 1.80 1.43 0.13 -2.61 118.68 123.53 1rfa s LEU 126 Ca -0.08 -0.79 0.00 0.00 -1.03 0.00 0.00 54.13 52.24 1rfa s LEU 126 Cb -0.16 -1.92 -0.04 0.00 0.03 0.00 0.00 46.19 44.10 1rfa s LEU 126 CO 0.02 -0.57 -0.05 -1.58 0.23 0.00 0.00 176.35 174.40 1rfa s GLN 127 N -4.04 0.69 0.05 1.70 0.74 -0.01 -0.04 119.66 118.75 1rfa s GLN 127 Ca 0.45 -1.22 0.07 0.00 0.05 0.00 0.00 55.36 54.71 1rfa s GLN 127 Cb -0.02 -0.01 -0.03 0.00 1.10 0.00 0.00 33.01 34.05 1rfa s GLN 127 CO 0.26 -0.06 -0.21 0.08 -0.55 0.00 0.00 175.29 174.82 1rfa s VAL 128 N -3.54 1.69 0.00 1.34 1.01 0.54 0.26 120.40 121.70 1rfa s VAL 128 Ca 0.07 -1.24 0.00 0.00 0.00 0.00 0.00 61.98 60.82 1rfa s VAL 128 Cb 0.05 -1.47 0.00 0.00 0.00 0.00 0.00 36.38 34.96 1rfa s VAL 128 CO -0.07 0.19 0.00 -0.67 0.00 0.00 0.00 175.10 174.55 1rfa n ASP 129 N 1.78 0.00 -4.27 3.32 -0.08 0.33 -3.13 116.55 114.51 1rfa n ASP 129 Ca -0.17 0.00 -0.29 0.00 -1.51 0.00 0.00 54.79 52.81 1rfa n ASP 129 Cb 0.53 0.00 0.19 0.00 2.34 0.00 0.00 41.12 44.18 1rfa n ASP 129 CO 0.00 0.00 0.00 -0.36 0.12 0.00 0.00 177.20 176.96 1rfa s PHE 130 N -0.76 1.50 -0.69 -0.67 0.08 -1.26 -1.32 117.98 114.86 1rfa s PHE 130 Ca 0.00 0.62 0.20 0.00 0.12 0.00 0.00 56.93 57.87 1rfa s PHE 130 Cb 0.00 -3.55 0.84 0.00 -0.57 0.00 0.00 43.02 39.75 1rfa s PHE 130 CO 0.00 -3.08 1.62 1.47 -0.10 0.00 0.00 175.22 175.13 1rfa n LEU 131 N -4.20 0.41 0.00 -0.37 -0.00 -1.11 -1.08 117.00 110.65 1rfa n LEU 131 Ca 0.11 0.60 0.05 0.00 -0.00 0.00 0.00 56.01 56.77 1rfa n LEU 131 Cb 0.59 -0.54 0.32 0.00 -0.00 0.00 0.00 43.42 43.79 1rfa n LEU 131 CO 0.50 -0.43 0.54 0.47 -0.00 0.00 0.00 177.39 178.47