#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 0.28 -4.08 -3.46 6.94 -1.26 -4.84 115.26 108.84 1rfa n ASN 56 Ca 0.00 -1.96 -0.07 0.00 -0.02 0.00 0.00 54.58 52.53 1rfa n ASN 56 Cb 0.00 -0.21 -0.10 0.00 -2.36 0.00 0.00 39.78 37.11 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 0.24 0.31 5.53 -4.23 -1.26 -0.07 115.64 116.15 1rfa s THR 57 Ca 0.10 -1.73 -0.08 0.00 -1.18 0.00 0.00 61.69 58.80 1rfa s THR 57 Cb 0.12 -1.40 0.01 0.00 1.34 0.00 0.00 72.50 72.56 1rfa s THR 57 CO -0.05 -0.94 0.51 -0.63 -0.54 0.00 0.00 174.62 172.97 1rfa s ILE 58 N -3.65 0.00 -0.04 2.99 1.01 -0.91 -1.07 121.20 119.53 1rfa s ILE 58 Ca 0.05 -1.45 0.06 0.00 0.00 0.00 0.00 60.65 59.31 1rfa s ILE 58 Cb 0.06 -2.49 -0.02 0.00 0.01 0.00 0.00 42.46 40.02 1rfa s ILE 58 CO -0.09 0.00 -0.22 -0.13 0.00 0.00 0.00 174.94 174.50 1rfa s ARG 59 N -3.38 2.41 -0.23 2.79 0.52 -1.21 -0.91 118.95 118.94 1rfa s ARG 59 Ca 0.25 -0.85 -0.01 0.00 -0.52 0.00 0.00 55.73 54.60 1rfa s ARG 59 Cb -0.01 -2.19 0.02 0.00 0.52 0.00 0.00 34.95 33.29 1rfa s ARG 59 CO 0.14 0.50 -0.09 0.08 0.02 0.00 0.00 175.30 175.96 1rfa s VAL 60 N -0.45 2.79 0.04 3.52 1.01 0.90 0.94 120.40 129.16 1rfa s VAL 60 Ca 0.05 -0.91 -0.06 0.00 0.00 0.00 0.00 61.98 61.05 1rfa s VAL 60 Cb -0.12 -2.35 -0.05 0.00 0.00 0.00 0.00 36.38 33.86 1rfa s VAL 60 CO 0.01 0.31 0.30 -0.36 0.00 0.00 0.00 175.10 175.36 1rfa s PHE 61 N 1.34 3.56 0.45 5.22 0.40 0.45 -1.60 117.98 127.81 1rfa s PHE 61 Ca 0.02 0.58 0.02 0.00 -0.60 0.00 0.00 56.93 56.95 1rfa s PHE 61 Cb -0.15 -2.00 0.00 0.00 0.51 0.00 0.00 43.02 41.38 1rfa s PHE 61 CO -0.06 0.57 0.66 -0.51 0.70 0.00 0.00 175.22 176.57 1rfa s LEU 62 N -1.98 3.62 0.00 -0.37 2.01 0.16 -0.89 118.68 121.23 1rfa s LEU 62 Ca 0.31 0.12 0.28 0.00 0.01 0.00 0.00 54.13 54.84 1rfa s LEU 62 Cb -0.13 -3.01 1.02 0.00 0.01 0.00 0.00 46.19 44.08 1rfa s LEU 62 CO 0.19 -0.75 1.75 -2.65 1.01 0.00 0.00 176.35 175.89 1rfa n PRO 63 N -2.05 0.30 0.00 1.29 -0.02 -1.20 -0.52 135.00 132.79 1rfa n PRO 63 Ca 0.03 -0.11 0.15 0.00 -2.02 0.00 0.00 63.50 61.55 1rfa n PRO 63 Cb 0.58 -1.50 0.72 0.00 -0.02 0.00 0.00 33.50 33.28 1rfa n PRO 63 CO 0.00 0.00 0.00 0.09 1.98 0.00 0.00 175.50 177.57 1rfa n ASN 64 N -1.26 0.43 -1.38 2.55 4.13 -1.26 -4.90 115.26 113.57 1rfa n ASN 64 Ca 0.10 -0.79 0.00 0.00 1.68 0.00 0.00 54.58 55.56 1rfa n ASN 64 Cb 0.31 -0.06 0.00 0.00 -1.54 0.00 0.00 39.78 38.49 1rfa n ASN 64 CO 0.00 0.00 0.00 0.29 0.28 0.00 0.00 177.26 177.83 1rfa n LYS 65 N -0.83 0.00 -1.59 3.52 4.01 0.33 -5.08 118.16 118.51 1rfa n LYS 65 Ca 0.18 0.01 0.00 0.00 -0.51 0.00 0.00 58.31 57.99 1rfa n LYS 65 Cb 0.23 -1.38 0.00 0.00 -0.51 0.00 0.00 35.03 33.38 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 0.50 -3.75 1.97 1.13 -1.23 -4.83 117.38 109.81 1rfa n GLN 66 Ca 0.00 0.00 -0.10 0.00 -1.94 0.00 0.00 57.00 54.96 1rfa n GLN 66 Cb 0.46 0.00 -0.04 0.00 0.11 0.00 0.00 30.24 30.77 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 -1.38 1.28 -0.14 -1.09 3.03 -1.26 -0.66 118.95 118.72 1rfa s ARG 67 Ca 0.00 -0.87 -0.34 0.00 2.03 0.00 0.00 55.73 56.55 1rfa s ARG 67 Cb 0.00 0.49 0.14 0.00 -1.03 0.00 0.00 34.95 34.54 1rfa s ARG 67 CO 0.00 -0.52 1.25 -0.08 -1.13 0.00 0.00 175.30 174.82 1rfa s THR 68 N -3.87 0.00 0.05 4.99 -1.32 -0.63 -4.92 115.64 109.94 1rfa s THR 68 Ca 0.09 -0.07 0.05 0.00 -1.21 0.00 0.00 61.69 60.56 1rfa s THR 68 Cb 0.00 -1.32 -0.04 0.00 -1.51 0.00 0.00 72.50 69.64 1rfa s THR 68 CO -0.04 0.00 -0.10 0.54 -2.21 0.00 0.00 174.62 172.81 1rfa s VAL 69 N -2.38 3.39 0.18 5.08 0.11 -1.26 -0.07 120.40 125.44 1rfa s VAL 69 Ca 0.11 -1.03 0.04 0.00 -2.93 0.00 0.00 61.98 58.17 1rfa s VAL 69 Cb 0.01 -2.51 -0.05 0.00 -1.53 0.00 0.00 36.38 32.30 1rfa s VAL 69 CO -0.04 0.28 -0.07 0.68 -3.33 0.00 0.00 175.10 172.61 1rfa s VAL 70 N -1.07 1.17 0.03 2.04 -7.23 -0.09 -4.93 120.40 110.32 1rfa s VAL 70 Ca 0.18 -2.06 0.04 0.00 -1.81 0.00 0.00 61.98 58.33 1rfa s VAL 70 Cb -0.11 -2.02 -0.04 0.00 0.56 0.00 0.00 36.38 34.78 1rfa s VAL 70 CO 0.10 -0.60 -0.06 0.20 -0.31 0.00 0.00 175.10 174.42 1rfa s ASN 71 N -3.22 4.67 0.19 4.85 0.01 -1.26 -2.14 114.94 118.04 1rfa s ASN 71 Ca 0.21 -0.17 0.05 0.00 -0.71 0.00 0.00 52.86 52.24 1rfa s ASN 71 Cb 0.03 -1.07 -0.05 0.00 0.41 0.00 0.00 41.25 40.57 1rfa s ASN 71 CO 0.03 0.26 -0.09 -0.69 -1.51 0.00 0.00 177.10 175.10 1rfa s VAL 72 N -1.07 1.35 0.22 1.60 1.01 0.89 -4.97 120.40 119.44 1rfa s VAL 72 Ca 0.19 -2.11 -0.05 0.00 0.00 0.00 0.00 61.98 60.01 1rfa s VAL 72 Cb -0.11 -2.04 -0.03 0.00 0.00 0.00 0.00 36.38 34.20 1rfa s VAL 72 CO 0.10 -0.59 0.25 -0.60 0.00 0.00 0.00 175.10 174.26 1rfa s ARG 73 N -3.74 1.33 -0.46 2.72 6.06 -1.26 -4.75 118.95 118.85 1rfa s ARG 73 Ca 0.22 -1.50 -0.29 0.00 -2.50 0.00 0.00 55.73 51.66 1rfa s ARG 73 Cb 0.02 0.34 0.03 0.00 0.06 0.00 0.00 34.95 35.40 1rfa s ARG 73 CO 0.05 -0.48 1.11 0.54 -2.50 0.00 0.00 175.30 174.02 1rfa s ASN 74 N -3.11 6.64 0.00 -2.12 4.22 -1.26 -1.88 114.94 117.43 1rfa s ASN 74 Ca 0.33 0.48 0.00 0.00 -2.14 0.00 0.00 52.86 51.53 1rfa s ASN 74 Cb 0.04 -2.54 0.00 0.00 1.28 0.00 0.00 41.25 40.03 1rfa s ASN 74 CO 0.11 -1.20 0.00 0.61 -2.04 0.00 0.00 177.10 174.58 1rfa n GLY 75 N 4.78 1.53 3.90 0.45 0.00 -1.26 -5.11 105.19 109.48 1rfa n GLY 75 Ca 0.11 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.85 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 0.00 3.21 0.28 1.61 -1.94 -0.79 -5.08 119.30 116.59 1rfa s MET 76 Ca 0.00 0.32 0.04 0.00 -1.71 0.00 0.00 55.69 54.34 1rfa s MET 76 Cb 0.00 -2.19 -0.06 0.00 2.01 0.00 0.00 34.83 34.59 1rfa s MET 76 CO 0.00 -0.63 0.02 -1.12 -0.01 0.00 0.00 175.02 173.28 1rfa s SER 77 N -4.24 2.13 0.14 3.03 0.01 -1.26 -4.61 113.70 108.89 1rfa s SER 77 Ca 0.54 -1.29 -0.22 0.00 1.31 0.00 0.00 55.95 56.28 1rfa s SER 77 Cb -0.11 -0.04 -0.00 0.00 0.21 0.00 0.00 66.02 66.08 1rfa s SER 77 CO 0.49 -0.54 1.65 -0.07 0.41 0.00 0.00 173.24 175.18 1rfa h LEU 78 N 2.29 -0.59 -0.11 2.44 -0.00 -1.37 1.79 115.31 119.76 1rfa h LEU 78 Ca -0.40 0.11 0.00 0.00 -0.00 0.00 0.00 57.88 57.59 1rfa h LEU 78 Cb 1.23 0.28 0.00 0.00 -0.00 0.00 0.00 40.66 42.17 1rfa h LEU 78 CO 0.67 -0.24 0.00 1.41 -0.00 0.00 0.00 178.44 180.28 1rfa n HIS 79 N -5.33 0.34 0.59 1.13 8.25 0.83 0.14 115.22 121.17 1rfa n HIS 79 Ca -0.02 0.11 0.07 0.00 -0.26 0.00 0.00 57.72 57.61 1rfa n HIS 79 Cb 0.25 -0.68 -0.08 0.00 1.12 0.00 0.00 29.99 30.60 1rfa n HIS 79 CO 0.00 0.00 0.00 -0.25 0.64 0.00 0.00 176.34 176.73 1rfa n ASP 80 N -1.79 0.74 -0.08 0.41 8.00 0.42 -3.76 116.55 120.49 1rfa n ASP 80 Ca 0.05 -0.75 -0.11 0.00 0.71 0.00 0.00 54.79 54.69 1rfa n ASP 80 Cb 0.30 1.06 -0.15 0.00 -0.02 0.00 0.00 41.12 42.31 1rfa n ASP 80 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1rfa n LEU 82 N -2.93 0.56 0.00 0.00 4.77 0.38 -3.07 117.00 116.71 1rfa n LEU 82 Ca -0.31 0.12 0.10 0.00 -0.03 0.00 0.00 56.01 55.90 1rfa n LEU 82 Cb 1.10 -0.06 0.54 0.00 -2.33 0.00 0.00 43.42 42.67 1rfa n LEU 82 CO 0.41 -0.06 0.83 0.80 -1.33 0.00 0.00 177.39 178.04 1rfa n MET 83 N -2.31 0.35 0.01 3.23 1.56 -1.25 0.35 117.12 119.06 1rfa n MET 83 Ca -0.00 0.08 -0.02 0.00 -0.27 0.00 0.00 57.70 57.48 1rfa n MET 83 Cb 0.51 -1.50 -0.01 0.00 2.15 0.00 0.00 33.22 34.37 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 -0.14 0.28 2.12 6.56 -1.66 -3.33 116.57 120.41 1rfa h LYS 84 Ca 0.00 0.01 0.00 0.00 -1.06 0.00 0.00 60.65 59.60 1rfa h LYS 84 Cb 0.17 0.03 -0.03 0.00 -0.57 0.00 0.00 32.23 31.83 1rfa h LYS 84 CO 0.00 -0.09 -0.40 0.00 -2.06 0.00 0.00 179.45 176.89 1rfa h ALA 85 N -1.08 -0.81 0.00 3.86 0.00 -0.60 -0.42 119.26 120.21 1rfa h ALA 85 Ca -0.01 -0.11 -0.13 0.00 0.00 0.00 0.00 54.91 54.65 1rfa h ALA 85 Cb 0.11 0.62 -0.02 0.00 0.00 0.00 0.00 17.79 18.51 1rfa h ALA 85 CO 0.02 -1.01 -0.62 -0.07 0.00 0.00 0.00 179.25 177.57 1rfa h LEU 86 N -0.75 0.00 -0.41 0.00 3.38 -0.36 -0.81 115.31 116.36 1rfa h LEU 86 Ca -0.01 0.00 0.04 0.00 0.09 0.00 0.00 57.88 58.00 1rfa h LEU 86 Cb 0.71 0.00 -0.04 0.00 0.09 0.00 0.00 40.66 41.41 1rfa h LEU 86 CO -0.14 0.62 0.17 0.50 0.09 0.00 0.00 178.44 179.68 1rfa h LYS 87 N 0.00 0.34 -0.44 1.13 3.11 -1.52 1.29 116.57 120.47 1rfa h LYS 87 Ca -0.01 -0.02 -0.03 0.00 -2.81 0.00 0.00 60.65 57.78 1rfa h LYS 87 Cb 1.27 -0.08 -0.02 0.00 -1.00 0.00 0.00 32.23 32.41 1rfa h LYS 87 CO 0.08 0.22 0.13 0.28 -2.81 0.00 0.00 179.45 177.36 1rfa h VAL 88 N 0.35 1.18 0.06 2.00 2.07 0.33 -3.10 116.25 119.14 1rfa h VAL 88 Ca 0.19 -0.63 -0.31 0.00 0.82 0.00 0.00 66.70 66.76 1rfa h VAL 88 Cb 0.14 0.71 -0.03 0.00 -1.52 0.00 0.00 31.29 30.59 1rfa h VAL 88 CO -0.17 0.24 -1.71 0.03 0.02 0.00 0.00 177.57 175.98 1rfa h ARG 89 N 0.63 0.14 0.00 1.57 3.08 -0.56 -3.48 114.38 115.76 1rfa h ARG 89 Ca 0.15 -0.23 0.00 0.00 0.07 0.00 0.00 59.98 59.96 1rfa h ARG 89 Cb 0.20 0.09 0.00 0.00 0.08 0.00 0.00 29.97 30.34 1rfa h ARG 89 CO -0.01 0.87 0.00 0.41 -1.07 0.00 0.00 179.97 180.18 1rfa n GLY 90 N 1.70 0.92 3.45 0.04 0.00 0.38 -5.07 105.19 106.61 1rfa n GLY 90 Ca -0.20 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.58 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 1.91 0.16 0.99 1.02 0.21 -5.01 118.68 117.96 1rfa s LEU 91 Ca 0.00 -1.68 0.07 0.00 0.02 0.00 0.00 54.13 52.55 1rfa s LEU 91 Cb 0.00 0.05 -0.04 0.00 0.02 0.00 0.00 46.19 46.22 1rfa s LEU 91 CO 0.00 -0.95 -0.16 0.00 0.02 0.00 0.00 176.35 175.26 1rfa s GLN 92 N -3.67 1.20 0.00 1.70 -2.07 -1.26 -4.17 119.66 111.39 1rfa s GLN 92 Ca 0.28 -1.40 0.10 0.00 -1.82 0.00 0.00 55.36 52.53 1rfa s GLN 92 Cb 0.03 -1.13 0.01 0.00 -1.09 0.00 0.00 33.01 30.83 1rfa s GLN 92 CO 0.17 0.21 0.67 -0.35 -1.32 0.00 0.00 175.29 174.68 1rfa n PRO 93 N 0.20 1.81 -0.00 9.60 -0.04 -1.26 -4.60 135.00 140.71 1rfa n PRO 93 Ca -0.13 -0.70 -0.03 0.00 -0.04 0.00 0.00 63.50 62.60 1rfa n PRO 93 Cb 0.58 -1.11 0.20 0.00 -0.04 0.00 0.00 33.50 33.13 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 1.30 0.52 -0.52 0.54 3.07 -1.98 -2.50 114.58 115.02 1rfa h GLU 94 Ca 0.00 -0.18 -0.29 0.00 -0.50 0.00 0.00 59.36 58.38 1rfa h GLU 94 Cb 0.37 -0.04 -0.18 0.00 -0.84 0.00 0.00 28.75 28.06 1rfa h GLU 94 CO 0.00 0.70 0.02 0.00 -1.40 0.00 0.00 179.01 178.33 1rfa s ALA 97 N -3.34 1.35 0.17 0.00 0.00 0.67 -4.55 121.76 116.06 1rfa s ALA 97 Ca 0.31 -0.62 0.06 0.00 0.00 0.00 0.00 51.96 51.70 1rfa s ALA 97 Cb 0.05 -0.42 -0.04 0.00 0.00 0.00 0.00 23.12 22.71 1rfa s ALA 97 CO 0.15 0.27 0.08 0.54 0.00 0.00 0.00 175.76 176.80 1rfa s VAL 98 N -0.06 4.17 0.11 0.00 0.11 -1.26 0.12 120.40 123.59 1rfa s VAL 98 Ca -0.01 -1.23 -0.07 0.00 -2.93 0.00 0.00 61.98 57.74 1rfa s VAL 98 Cb -0.09 -3.12 -0.01 0.00 -1.53 0.00 0.00 36.38 31.62 1rfa s VAL 98 CO 0.01 -0.12 0.18 -0.36 -3.33 0.00 0.00 175.10 171.48 1rfa s PHE 99 N -1.76 0.32 0.33 1.54 0.40 0.66 -2.18 117.98 117.30 1rfa s PHE 99 Ca 0.30 -0.75 -0.07 0.00 -0.60 0.00 0.00 56.93 55.81 1rfa s PHE 99 Cb -0.10 -0.14 -0.06 0.00 0.51 0.00 0.00 43.02 43.24 1rfa s PHE 99 CO 0.21 -0.57 0.64 1.03 0.70 0.00 0.00 175.22 177.23 1rfa s ARG 100 N -3.91 3.69 0.00 0.44 0.52 0.22 -0.39 118.95 119.52 1rfa s ARG 100 Ca 0.10 0.19 0.00 0.00 -0.52 0.00 0.00 55.73 55.50 1rfa s ARG 100 Cb 0.05 -2.55 0.00 0.00 0.52 0.00 0.00 34.95 32.97 1rfa s ARG 100 CO -0.07 0.12 0.00 1.28 0.02 0.00 0.00 175.30 176.65 1rfa n LEU 101 N -1.06 0.00 -4.29 2.53 4.77 -0.30 -0.31 117.00 118.33 1rfa n LEU 101 Ca -0.00 0.00 -0.44 0.00 -0.03 0.00 0.00 56.01 55.54 1rfa n LEU 101 Cb 0.54 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.63 1rfa n LEU 101 CO 0.48 -0.30 1.56 0.00 -1.33 0.00 0.00 177.39 177.80 1rfa n LEU 102 N 0.00 5.63 -0.03 2.23 -0.00 -1.22 -4.17 117.00 119.44 1rfa n LEU 102 Ca 0.00 -4.51 0.11 0.00 -0.00 0.00 0.00 56.01 51.60 1rfa n LEU 102 Cb 0.00 -1.58 0.03 0.00 -0.00 0.00 0.00 43.42 41.87 1rfa n LEU 102 CO 0.00 0.91 0.16 1.41 -0.00 0.00 0.00 177.39 179.88 1rfa n HIS 103 N 5.13 0.00 -2.69 1.47 8.25 -1.26 -4.40 115.22 121.72 1rfa n HIS 103 Ca 0.38 0.00 -0.05 0.00 -0.26 0.00 0.00 57.72 57.79 1rfa n HIS 103 Cb 0.41 -0.09 0.12 0.00 1.12 0.00 0.00 29.99 31.55 1rfa n HIS 103 CO 0.00 0.00 0.00 -0.85 0.64 0.00 0.00 176.34 176.13 1rfa n GLU 104 N -1.41 1.28 -4.44 -0.41 0.00 -1.26 -5.13 120.64 109.27 1rfa n GLU 104 Ca 0.05 -1.67 -0.23 0.00 0.00 0.00 0.00 57.16 55.31 1rfa n GLU 104 Cb 0.34 0.07 -0.09 0.00 0.00 0.00 0.00 31.44 31.76 1rfa n GLU 104 CO 0.00 0.00 0.00 -1.01 0.00 0.00 0.00 177.13 176.12 1rfa s HIS 105 N -0.06 1.76 0.02 -1.84 3.76 -1.26 -5.04 115.29 112.62 1rfa s HIS 105 Ca 0.17 -1.27 -0.14 0.00 -0.15 0.00 0.00 55.06 53.66 1rfa s HIS 105 Cb 0.42 -1.07 -0.35 0.00 1.11 0.00 0.00 32.58 32.69 1rfa s HIS 105 CO -0.10 -0.34 0.97 -0.22 -0.85 0.00 0.00 174.74 174.20 1rfa h LYS 106 N 1.98 0.51 0.00 1.40 1.63 -2.00 -3.45 116.57 116.63 1rfa h LYS 106 Ca -0.35 -0.87 0.00 0.00 -0.85 0.00 0.00 60.65 58.58 1rfa h LYS 106 Cb 1.26 0.32 0.00 0.00 -0.60 0.00 0.00 32.23 33.21 1rfa h LYS 106 CO 0.57 1.41 0.00 0.41 -3.45 0.00 0.00 179.45 178.39 1rfa n GLY 107 N 1.72 -1.84 0.00 5.01 0.00 -1.26 -5.13 105.19 103.69 1rfa n GLY 107 Ca -0.17 0.82 0.00 0.00 0.00 0.00 0.00 46.02 46.67 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 0.00 -3.80 1.61 4.76 -1.26 -5.09 118.16 114.38 1rfa n LYS 108 Ca 0.00 0.00 -0.13 0.00 -2.87 0.00 0.00 58.31 55.31 1rfa n LYS 108 Cb 0.00 0.00 -0.12 0.00 -1.84 0.00 0.00 35.03 33.07 1rfa n LYS 108 CO 0.00 0.00 0.00 0.15 -1.37 0.00 0.00 177.40 176.18 1rfa s LYS 109 N 2.68 0.28 -0.24 1.97 1.02 -1.26 -3.45 119.74 120.74 1rfa s LYS 109 Ca 0.00 0.24 -0.19 0.00 0.02 0.00 0.00 55.97 56.04 1rfa s LYS 109 Cb 0.00 0.13 -0.03 0.00 -0.52 0.00 0.00 37.83 37.42 1rfa s LYS 109 CO 0.00 -0.04 0.57 0.00 -0.92 0.00 0.00 175.35 174.96 1rfa s ALA 110 N -0.03 3.58 0.10 5.17 0.00 0.57 -4.88 121.76 126.27 1rfa s ALA 110 Ca -0.01 -0.45 -0.16 0.00 0.00 0.00 0.00 51.96 51.34 1rfa s ALA 110 Cb -0.02 -2.93 -0.07 0.00 0.00 0.00 0.00 23.12 20.10 1rfa s ALA 110 CO 0.00 -0.67 0.53 0.50 0.00 0.00 0.00 175.76 176.12 1rfa s ARG 111 N 2.17 4.03 0.00 0.00 3.00 -1.26 0.71 118.95 127.60 1rfa s ARG 111 Ca 0.25 0.55 0.00 0.00 -1.00 0.00 0.00 55.73 55.52 1rfa s ARG 111 Cb -0.16 -3.07 0.00 0.00 0.00 0.00 0.00 34.95 31.72 1rfa s ARG 111 CO 0.09 0.56 0.00 1.28 0.00 0.00 0.00 175.30 177.23 1rfa n LEU 112 N 1.24 0.00 -4.51 -0.88 4.77 -0.93 -4.90 117.00 111.80 1rfa n LEU 112 Ca -0.08 0.00 -0.25 0.00 -0.03 0.00 0.00 56.01 55.65 1rfa n LEU 112 Cb 0.52 0.00 -0.10 0.00 -2.33 0.00 0.00 43.42 41.50 1rfa n LEU 112 CO 0.41 0.00 -0.39 -0.62 -1.33 0.00 0.00 177.39 175.46 1rfa s ASP 113 N 0.87 3.51 0.00 -1.43 2.15 -1.26 -4.87 116.67 115.63 1rfa s ASP 113 Ca 0.00 -1.17 0.26 0.00 0.43 0.00 0.00 52.55 52.07 1rfa s ASP 113 Cb 0.00 -0.31 0.69 0.00 -0.30 0.00 0.00 42.92 43.01 1rfa s ASP 113 CO 0.00 -0.20 1.53 0.79 -0.17 0.00 0.00 175.17 177.12 1rfa n TRP 114 N -0.73 0.00 -1.19 -5.34 5.03 -1.26 -3.06 117.44 110.90 1rfa n TRP 114 Ca -0.05 0.00 0.02 0.00 3.03 0.00 0.00 57.50 60.49 1rfa n TRP 114 Cb 0.63 -0.24 0.23 0.00 -1.03 0.00 0.00 31.31 30.91 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 -1.26 3.36 -4.78 -0.99 5.15 -1.26 -0.12 115.26 115.36 1rfa n ASN 115 Ca 0.08 -3.35 -0.37 0.00 -0.60 0.00 0.00 54.58 50.34 1rfa n ASN 115 Cb 0.33 -0.60 -0.03 0.00 -0.53 0.00 0.00 39.78 38.95 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 -3.02 3.56 -0.96 -0.44 2.01 -1.17 -4.53 115.64 111.09 1rfa s THR 116 Ca 0.44 1.22 -0.24 0.00 0.31 0.00 0.00 61.69 63.43 1rfa s THR 116 Cb 0.38 -3.64 0.03 0.00 0.01 0.00 0.00 72.50 69.27 1rfa s THR 116 CO 0.06 0.03 1.54 -1.81 -0.69 0.00 0.00 174.62 173.74 1rfa s ASP 117 N -1.46 6.17 0.17 3.53 1.11 -1.26 -1.74 116.67 123.18 1rfa s ASP 117 Ca 0.58 -1.15 0.17 0.00 0.18 0.00 0.00 52.55 52.33 1rfa s ASP 117 Cb -0.24 -2.57 0.77 0.00 1.07 0.00 0.00 42.92 41.95 1rfa s ASP 117 CO 0.30 -1.80 1.51 0.00 1.18 0.00 0.00 175.17 176.37 1rfa n ALA 118 N 10.01 1.39 1.54 5.23 0.00 -1.26 0.48 120.51 137.90 1rfa n ALA 118 Ca 0.31 0.07 0.15 0.00 0.00 0.00 0.00 53.44 53.96 1rfa n ALA 118 Cb 0.50 -1.27 0.79 0.00 0.00 0.00 0.00 19.45 19.48 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 -1.66 2.51 0.18 0.00 0.00 -1.26 -1.14 120.51 119.13 1rfa n ALA 119 Ca 0.01 -0.15 0.09 0.00 0.00 0.00 0.00 53.44 53.39 1rfa n ALA 119 Cb 0.13 -1.49 -0.14 0.00 0.00 0.00 0.00 19.45 17.95 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 -1.21 0.70 -1.45 0.00 7.64 0.18 -3.87 113.62 115.61 1rfa n SER 120 Ca 0.16 -0.20 0.09 0.00 1.01 0.00 0.00 58.87 59.93 1rfa n SER 120 Cb 0.20 1.68 0.33 0.00 -1.01 0.00 0.00 64.21 65.42 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 -2.00 4.59 -4.75 -3.43 7.99 -0.57 -4.98 117.00 113.85 1rfa n LEU 121 Ca -0.02 -2.50 -0.41 0.00 -0.01 0.00 0.00 56.01 53.06 1rfa n LEU 121 Cb 0.45 -0.55 -0.02 0.00 -0.11 0.00 0.00 43.42 43.19 1rfa n LEU 121 CO 0.39 0.78 1.07 -0.51 -1.51 0.00 0.00 177.39 177.61 1rfa s ILE 122 N -1.94 2.71 0.00 -0.08 1.10 -0.29 -2.82 121.20 119.87 1rfa s ILE 122 Ca 0.48 0.62 0.00 0.00 -0.51 0.00 0.00 60.65 61.24 1rfa s ILE 122 Cb 0.32 -3.39 0.00 0.00 0.15 0.00 0.00 42.46 39.53 1rfa s ILE 122 CO 0.22 0.11 0.00 0.61 -2.11 0.00 0.00 174.94 173.76 1rfa n GLY 123 N 1.91 0.84 0.00 1.50 0.00 -0.23 -4.72 105.19 104.49 1rfa n GLY 123 Ca 0.05 -0.62 0.00 0.00 0.00 0.00 0.00 46.02 45.45 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 -0.61 0.33 -4.50 1.61 -0.58 -1.13 -5.04 120.64 110.74 1rfa n GLU 124 Ca 0.00 0.00 -0.21 0.00 -0.42 0.00 0.00 57.16 56.53 1rfa n GLU 124 Cb 0.49 0.00 -0.15 0.00 -0.57 0.00 0.00 31.44 31.21 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 1.02 1.05 0.34 3.49 2.02 -1.26 -3.35 118.70 122.00 1rfa s GLU 125 Ca 0.00 -0.39 0.06 0.00 0.02 0.00 0.00 54.97 54.67 1rfa s GLU 125 Cb 0.00 -0.98 -0.07 0.00 0.10 0.00 0.00 34.13 33.18 1rfa s GLU 125 CO 0.00 0.19 -0.01 -0.51 0.02 0.00 0.00 175.26 174.95 1rfa s LEU 126 N -0.03 2.57 0.12 1.80 1.02 0.27 -1.16 118.68 123.27 1rfa s LEU 126 Ca 0.00 -1.30 -0.00 0.00 0.02 0.00 0.00 54.13 52.85 1rfa s LEU 126 Cb -0.07 -0.72 -0.04 0.00 0.02 0.00 0.00 46.19 45.38 1rfa s LEU 126 CO 0.00 -0.42 0.03 -1.58 0.02 0.00 0.00 176.35 174.40 1rfa s GLN 127 N -3.74 0.89 0.05 1.70 0.74 0.47 -0.41 119.66 119.36 1rfa s GLN 127 Ca 0.34 -1.41 0.08 0.00 0.05 0.00 0.00 55.36 54.42 1rfa s GLN 127 Cb 0.07 0.14 -0.03 0.00 1.10 0.00 0.00 33.01 34.29 1rfa s GLN 127 CO 0.16 -0.20 -0.23 0.08 -0.55 0.00 0.00 175.29 174.54 1rfa s VAL 128 N -3.95 1.87 0.06 1.34 1.01 -0.07 -0.24 120.40 120.42 1rfa s VAL 128 Ca 0.20 -1.29 0.01 0.00 0.00 0.00 0.00 61.98 60.91 1rfa s VAL 128 Cb 0.07 -1.62 -0.01 0.00 0.00 0.00 0.00 36.38 34.83 1rfa s VAL 128 CO -0.00 0.27 0.05 -0.67 0.00 0.00 0.00 175.10 174.74 1rfa n ASP 129 N 1.79 -0.06 -4.91 3.32 -0.08 0.31 -3.26 116.55 113.68 1rfa n ASP 129 Ca -0.17 -1.39 -0.28 0.00 -1.51 0.00 0.00 54.79 51.43 1rfa n ASP 129 Cb 0.53 0.29 0.08 0.00 2.34 0.00 0.00 41.12 44.36 1rfa n ASP 129 CO 0.00 0.00 0.00 0.72 0.12 0.00 0.00 177.20 178.04 1rfa s PHE 130 N -2.21 2.95 0.07 -0.67 -0.12 -1.26 -0.24 117.98 116.50 1rfa s PHE 130 Ca 0.07 0.68 -0.32 0.00 -0.05 0.00 0.00 56.93 57.31 1rfa s PHE 130 Cb 0.00 -3.42 -0.11 0.00 -0.63 0.00 0.00 43.02 38.86 1rfa s PHE 130 CO 0.05 -1.68 1.84 1.28 -0.05 0.00 0.00 175.22 176.65 1rfa n LEU 131 N -3.22 3.84 -0.21 -1.99 4.77 -1.19 -3.31 117.00 115.68 1rfa n LEU 131 Ca 0.08 0.98 0.15 0.00 -0.03 0.00 0.00 56.01 57.19 1rfa n LEU 131 Cb 0.61 -1.50 0.76 0.00 -2.33 0.00 0.00 43.42 40.96 1rfa n LEU 131 CO 0.56 0.08 1.00 -0.90 -1.33 0.00 0.00 177.39 176.80