#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 0.47 -3.94 -3.46 5.15 -1.26 -4.85 115.26 107.38 1rfa n ASN 56 Ca 0.00 -1.96 -0.10 0.00 -0.60 0.00 0.00 54.58 51.92 1rfa n ASN 56 Cb 0.00 -0.21 -0.11 0.00 -0.53 0.00 0.00 39.78 38.93 1rfa n ASN 56 CO 0.00 0.00 0.00 0.42 1.40 0.00 0.00 177.26 179.08 1rfa s THR 57 N 0.00 0.09 0.14 -0.44 -4.23 -1.26 -1.87 115.64 108.08 1rfa s THR 57 Ca 0.18 -0.78 -0.02 0.00 -1.18 0.00 0.00 61.69 59.89 1rfa s THR 57 Cb 0.21 -0.31 -0.04 0.00 1.34 0.00 0.00 72.50 73.70 1rfa s THR 57 CO -0.09 -0.43 0.08 -0.63 -0.54 0.00 0.00 174.62 173.01 1rfa s ILE 58 N -1.35 0.09 0.16 2.99 1.09 -0.80 -0.94 121.20 122.43 1rfa s ILE 58 Ca -0.15 -1.89 0.03 0.00 -1.10 0.00 0.00 60.65 57.55 1rfa s ILE 58 Cb -0.09 -2.08 -0.04 0.00 -1.06 0.00 0.00 42.46 39.20 1rfa s ILE 58 CO -0.00 -0.40 0.27 -0.13 -0.10 0.00 0.00 174.94 174.58 1rfa s ARG 59 N -4.06 3.36 -0.21 2.79 3.00 -1.21 -0.61 118.95 122.03 1rfa s ARG 59 Ca 0.25 -0.64 -0.01 0.00 0.00 0.00 0.00 55.73 55.33 1rfa s ARG 59 Cb 0.07 -2.92 0.06 0.00 0.00 0.00 0.00 34.95 32.16 1rfa s ARG 59 CO 0.03 0.51 -0.02 0.08 0.00 0.00 0.00 175.30 175.90 1rfa s VAL 60 N -1.76 1.08 -0.09 3.52 1.01 0.53 -0.05 120.40 124.64 1rfa s VAL 60 Ca 0.34 -0.87 -0.07 0.00 0.00 0.00 0.00 61.98 61.38 1rfa s VAL 60 Cb -0.11 -1.42 -0.04 0.00 0.00 0.00 0.00 36.38 34.81 1rfa s VAL 60 CO 0.28 -0.11 0.16 -0.36 0.00 0.00 0.00 175.10 175.08 1rfa s PHE 61 N 1.61 3.60 0.70 5.22 0.40 -0.09 -1.39 117.98 128.03 1rfa s PHE 61 Ca -0.03 0.53 -0.07 0.00 -0.60 0.00 0.00 56.93 56.76 1rfa s PHE 61 Cb -0.18 -1.94 0.05 0.00 0.51 0.00 0.00 43.02 41.47 1rfa s PHE 61 CO -0.07 0.72 1.01 -0.51 0.70 0.00 0.00 175.22 177.07 1rfa s LEU 62 N -1.20 2.85 -0.77 -0.37 2.01 0.33 -1.96 118.68 119.57 1rfa s LEU 62 Ca 0.18 0.53 -0.26 0.00 0.01 0.00 0.00 54.13 54.58 1rfa s LEU 62 Cb -0.12 -3.20 0.04 0.00 0.01 0.00 0.00 46.19 42.91 1rfa s LEU 62 CO 0.07 -1.54 1.28 -2.84 1.01 0.00 0.00 176.35 174.33 1rfa s PRO 63 N -5.24 3.23 -0.18 1.29 0.01 -1.22 -2.77 135.00 130.11 1rfa s PRO 63 Ca 0.59 -0.38 0.00 0.00 0.01 0.00 0.00 61.00 61.22 1rfa s PRO 63 Cb -0.11 -4.31 0.00 0.00 0.01 0.00 0.00 34.50 30.09 1rfa s PRO 63 CO 0.45 -2.13 0.00 -1.71 0.01 0.00 0.00 177.00 173.62 1rfa n ASN 64 N 9.19 -3.32 0.00 2.53 5.15 -1.26 -4.87 115.26 122.69 1rfa n ASN 64 Ca 0.06 0.04 0.00 0.00 -0.60 0.00 0.00 54.58 54.08 1rfa n ASN 64 Cb 0.49 -0.97 0.00 0.00 -0.53 0.00 0.00 39.78 38.77 1rfa n ASN 64 CO 0.00 0.00 0.00 0.29 1.40 0.00 0.00 177.26 178.95 1rfa n LYS 65 N -2.81 0.00 -2.61 1.20 4.76 -1.12 -5.16 118.16 112.43 1rfa n LYS 65 Ca -0.02 0.00 -0.15 0.00 -2.87 0.00 0.00 58.31 55.27 1rfa n LYS 65 Cb 0.07 0.00 0.04 0.00 -1.84 0.00 0.00 35.03 33.30 1rfa n LYS 65 CO 0.00 0.00 0.00 1.04 -1.37 0.00 0.00 177.40 177.07 1rfa n GLN 66 N 0.00 0.75 -3.59 1.97 3.00 -1.26 -4.73 117.38 113.53 1rfa n GLN 66 Ca 0.00 -2.34 -0.10 0.00 -0.01 0.00 0.00 57.00 54.55 1rfa n GLN 66 Cb 0.00 -0.08 -0.02 0.00 0.00 0.00 0.00 30.24 30.14 1rfa n GLN 66 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 177.06 176.08 1rfa s ARG 67 N -3.87 1.46 -0.05 -1.09 1.70 -1.26 0.12 118.95 115.97 1rfa s ARG 67 Ca 0.40 -0.66 -0.29 0.00 -0.47 0.00 0.00 55.73 54.70 1rfa s ARG 67 Cb -0.03 0.59 0.10 0.00 -0.57 0.00 0.00 34.95 35.04 1rfa s ARG 67 CO 0.25 -0.65 1.32 -0.08 -1.08 0.00 0.00 175.30 175.06 1rfa s THR 68 N -3.80 0.00 0.04 4.99 -1.32 -0.48 -4.94 115.64 110.13 1rfa s THR 68 Ca 0.05 -0.10 0.08 0.00 -1.21 0.00 0.00 61.69 60.50 1rfa s THR 68 Cb -0.03 -2.96 -0.03 0.00 -1.51 0.00 0.00 72.50 67.98 1rfa s THR 68 CO -0.05 0.00 -0.22 -0.69 -2.21 0.00 0.00 174.62 171.44 1rfa s VAL 69 N -2.02 1.78 0.15 5.08 1.01 -1.26 -0.35 120.40 124.80 1rfa s VAL 69 Ca 0.31 -1.22 0.05 0.00 0.00 0.00 0.00 61.98 61.11 1rfa s VAL 69 Cb -0.00 -1.54 -0.04 0.00 0.00 0.00 0.00 36.38 34.80 1rfa s VAL 69 CO -0.02 0.27 -0.10 0.68 0.00 0.00 0.00 175.10 175.93 1rfa s VAL 70 N -0.77 1.22 0.18 2.92 -7.23 0.22 -4.92 120.40 112.03 1rfa s VAL 70 Ca 0.09 -2.08 0.07 0.00 -1.81 0.00 0.00 61.98 58.25 1rfa s VAL 70 Cb -0.09 -1.87 -0.04 0.00 0.56 0.00 0.00 36.38 34.94 1rfa s VAL 70 CO 0.02 -0.73 0.06 0.20 -0.31 0.00 0.00 175.10 174.34 1rfa s ASN 71 N -3.18 5.04 0.00 4.85 0.01 -1.26 -1.90 114.94 118.49 1rfa s ASN 71 Ca 0.17 -0.32 0.23 0.00 -0.71 0.00 0.00 52.86 52.23 1rfa s ASN 71 Cb 0.02 -1.16 0.25 0.00 0.41 0.00 0.00 41.25 40.77 1rfa s ASN 71 CO 0.01 0.07 1.27 0.52 -1.51 0.00 0.00 177.10 177.46 1rfa n VAL 72 N -0.33 0.16 0.00 1.60 0.31 -0.78 -4.93 118.33 114.36 1rfa n VAL 72 Ca -0.09 -0.58 0.00 0.00 -0.01 0.00 0.00 64.34 63.66 1rfa n VAL 72 Cb 0.55 1.32 0.00 0.00 -0.91 0.00 0.00 33.84 34.81 1rfa n VAL 72 CO 0.00 0.00 0.00 -1.14 -1.32 0.00 0.00 176.83 174.37 1rfa n ARG 73 N 1.33 0.00 -0.06 5.55 3.00 -1.26 0.20 116.66 125.42 1rfa n ARG 73 Ca 0.15 0.00 0.06 0.00 -0.00 0.00 0.00 57.85 58.06 1rfa n ARG 73 Cb 0.58 0.00 0.09 0.00 0.00 0.00 0.00 32.46 33.12 1rfa n ARG 73 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.63 175.92 1rfa n ASN 74 N 7.25 2.31 0.00 6.15 5.15 -1.26 -4.85 115.26 130.01 1rfa n ASN 74 Ca 0.00 -1.66 0.00 0.00 -0.60 0.00 0.00 54.58 52.32 1rfa n ASN 74 Cb 0.00 -0.08 0.00 0.00 -0.53 0.00 0.00 39.78 39.17 1rfa n ASN 74 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 1rfa n GLY 75 N 0.63 -0.93 3.90 8.20 0.00 -0.50 -5.16 105.19 111.34 1rfa n GLY 75 Ca 0.09 0.34 -0.30 0.00 0.00 0.00 0.00 46.02 46.15 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 3.68 0.35 1.61 -1.94 0.13 -5.09 119.30 118.04 1rfa s MET 76 Ca 0.00 0.07 0.07 0.00 -1.71 0.00 0.00 55.69 54.12 1rfa s MET 76 Cb 0.00 -2.66 -0.02 0.00 2.01 0.00 0.00 34.83 34.16 1rfa s MET 76 CO 0.00 0.26 0.37 0.45 -0.01 0.00 0.00 175.02 176.09 1rfa s SER 77 N -2.90 5.48 0.16 3.03 0.15 -1.26 -4.02 113.70 114.35 1rfa s SER 77 Ca 0.45 -0.43 -0.21 0.00 0.70 0.00 0.00 55.95 56.46 1rfa s SER 77 Cb -0.11 -0.98 0.06 0.00 -1.71 0.00 0.00 66.02 63.29 1rfa s SER 77 CO 0.27 -0.44 1.63 -0.07 1.20 0.00 0.00 173.24 175.83 1rfa h LEU 78 N 1.07 -0.75 0.63 3.45 -0.00 -1.85 1.67 115.31 119.53 1rfa h LEU 78 Ca -0.44 0.15 -0.03 0.00 -0.00 0.00 0.00 57.88 57.56 1rfa h LEU 78 Cb 1.26 0.38 0.01 0.00 -0.00 0.00 0.00 40.66 42.30 1rfa h LEU 78 CO 0.56 -0.26 -0.30 0.45 -0.00 0.00 0.00 178.44 178.89 1rfa h HIS 79 N -0.19 -0.78 0.00 1.13 3.86 -1.18 0.36 115.15 118.35 1rfa h HIS 79 Ca 0.17 -0.02 -0.03 0.00 -1.16 0.00 0.00 60.37 59.33 1rfa h HIS 79 Cb 0.45 0.26 -0.00 0.00 1.06 0.00 0.00 27.41 29.18 1rfa h HIS 79 CO -0.43 -0.46 -0.12 -0.44 0.86 0.00 0.00 177.93 177.34 1rfa h ASP 80 N -0.91 0.00 0.91 2.45 5.19 -1.17 1.21 116.42 124.10 1rfa h ASP 80 Ca -0.09 0.00 -0.05 0.00 -0.62 0.00 0.00 57.03 56.28 1rfa h ASP 80 Cb 0.67 0.00 -0.01 0.00 0.18 0.00 0.00 39.33 40.17 1rfa h ASP 80 CO 0.14 0.12 -1.12 0.00 -3.12 0.00 0.00 179.24 175.27 1rfa n LEU 82 N -2.74 1.22 0.13 0.00 7.99 0.12 -3.54 117.00 120.18 1rfa n LEU 82 Ca -0.03 -0.05 0.10 0.00 -0.01 0.00 0.00 56.01 56.02 1rfa n LEU 82 Cb 0.63 -0.07 0.49 0.00 -0.11 0.00 0.00 43.42 44.36 1rfa n LEU 82 CO 0.41 0.63 0.79 0.80 -1.51 0.00 0.00 177.39 178.51 1rfa n MET 83 N -2.88 0.12 0.05 3.23 1.56 0.41 0.89 117.12 120.50 1rfa n MET 83 Ca -0.34 0.58 -0.22 0.00 -0.27 0.00 0.00 57.70 57.45 1rfa n MET 83 Cb 1.03 -1.87 -0.15 0.00 2.15 0.00 0.00 33.22 34.38 1rfa n MET 83 CO 0.00 0.00 0.00 -0.22 -0.73 0.00 0.00 175.97 175.02 1rfa h LYS 84 N 0.00 0.34 0.25 2.12 3.64 -1.63 -2.90 116.57 118.38 1rfa h LYS 84 Ca 0.00 -0.59 -0.01 0.00 -1.27 0.00 0.00 60.65 58.78 1rfa h LYS 84 Cb 0.06 0.22 0.00 0.00 -0.41 0.00 0.00 32.23 32.10 1rfa h LYS 84 CO 0.00 1.26 -0.12 0.00 -2.27 0.00 0.00 179.45 178.32 1rfa h ALA 85 N 0.16 -0.33 0.00 5.00 0.00 0.00 -2.64 119.26 121.45 1rfa h ALA 85 Ca -0.35 -0.19 -0.04 0.00 0.00 0.00 0.00 54.91 54.33 1rfa h ALA 85 Cb 2.08 0.13 -0.01 0.00 0.00 0.00 0.00 17.79 19.99 1rfa h ALA 85 CO 0.15 -0.50 -0.19 -0.07 0.00 0.00 0.00 179.25 178.64 1rfa h LEU 86 N -0.71 0.00 -0.38 0.00 3.38 0.30 -0.60 115.31 117.30 1rfa h LEU 86 Ca -0.03 0.00 0.06 0.00 0.09 0.00 0.00 57.88 57.99 1rfa h LEU 86 Cb 0.48 0.00 -0.05 0.00 0.09 0.00 0.00 40.66 41.18 1rfa h LEU 86 CO 0.06 0.19 0.09 0.50 0.09 0.00 0.00 178.44 179.37 1rfa h LYS 87 N 0.00 0.22 -0.34 1.13 3.11 -1.47 1.22 116.57 120.45 1rfa h LYS 87 Ca -0.00 -0.01 -0.06 0.00 -2.81 0.00 0.00 60.65 57.77 1rfa h LYS 87 Cb 1.02 -0.05 -0.02 0.00 -1.00 0.00 0.00 32.23 32.18 1rfa h LYS 87 CO 0.02 0.14 -0.03 0.28 -2.81 0.00 0.00 179.45 177.06 1rfa h VAL 88 N 0.22 1.21 0.02 2.00 2.07 -0.75 -3.11 116.25 117.91 1rfa h VAL 88 Ca 0.18 -0.85 -0.29 0.00 0.82 0.00 0.00 66.70 66.56 1rfa h VAL 88 Cb 0.20 0.99 -0.04 0.00 -1.52 0.00 0.00 31.29 30.92 1rfa h VAL 88 CO -0.23 0.29 -1.66 0.03 0.02 0.00 0.00 177.57 176.02 1rfa h ARG 89 N 0.51 0.04 0.00 1.57 3.08 -0.78 -3.48 114.38 115.32 1rfa h ARG 89 Ca 0.11 -0.07 0.00 0.00 0.07 0.00 0.00 59.98 60.09 1rfa h ARG 89 Cb 0.38 0.03 0.00 0.00 0.08 0.00 0.00 29.97 30.45 1rfa h ARG 89 CO 0.02 0.65 0.00 0.41 -1.07 0.00 0.00 179.97 179.97 1rfa n GLY 90 N 1.58 0.84 3.33 0.04 0.00 0.36 -5.07 105.19 106.28 1rfa n GLY 90 Ca -0.17 0.00 -0.19 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 1.67 0.23 0.99 1.02 0.20 -5.01 118.68 117.78 1rfa s LEU 91 Ca 0.00 -1.57 0.10 0.00 0.02 0.00 0.00 54.13 52.69 1rfa s LEU 91 Cb 0.00 0.22 -0.05 0.00 0.02 0.00 0.00 46.19 46.38 1rfa s LEU 91 CO 0.00 -0.90 -0.19 0.00 0.02 0.00 0.00 176.35 175.29 1rfa s GLN 92 N -3.80 1.51 -0.00 1.70 -2.07 -1.26 -4.11 119.66 111.62 1rfa s GLN 92 Ca 0.36 -1.65 0.09 0.00 -1.82 0.00 0.00 55.36 52.34 1rfa s GLN 92 Cb 0.05 -1.53 -0.11 0.00 -1.09 0.00 0.00 33.01 30.33 1rfa s GLN 92 CO 0.18 0.29 0.35 -0.35 -1.32 0.00 0.00 175.29 174.44 1rfa n PRO 93 N -0.35 3.37 -0.13 9.60 -0.04 -1.26 -4.62 135.00 141.56 1rfa n PRO 93 Ca -0.08 -0.01 -0.04 0.00 -0.04 0.00 0.00 63.50 63.33 1rfa n PRO 93 Cb 0.59 -0.98 0.17 0.00 -0.04 0.00 0.00 33.50 33.25 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 0.84 -0.61 0.54 3.07 -1.99 -0.78 114.58 115.65 1rfa h GLU 94 Ca 0.00 -0.19 0.00 0.00 -0.50 0.00 0.00 59.36 58.67 1rfa h GLU 94 Cb 0.25 -0.12 0.00 0.00 -0.84 0.00 0.00 28.75 28.04 1rfa h GLU 94 CO 0.00 0.78 0.00 0.00 -1.40 0.00 0.00 179.01 178.39 1rfa s ALA 97 N -2.87 1.75 0.58 0.00 0.00 0.22 -4.47 121.76 116.98 1rfa s ALA 97 Ca 0.35 -0.91 -0.03 0.00 0.00 0.00 0.00 51.96 51.37 1rfa s ALA 97 Cb 0.09 -0.44 0.03 0.00 0.00 0.00 0.00 23.12 22.79 1rfa s ALA 97 CO 0.17 0.43 0.85 0.08 0.00 0.00 0.00 175.76 177.29 1rfa s VAL 98 N -0.50 3.09 0.19 0.00 1.01 -1.26 0.48 120.40 123.41 1rfa s VAL 98 Ca 0.08 -0.34 -0.19 0.00 0.00 0.00 0.00 61.98 61.53 1rfa s VAL 98 Cb -0.08 -3.22 0.04 0.00 0.00 0.00 0.00 36.38 33.12 1rfa s VAL 98 CO -0.01 -0.19 0.55 -0.36 0.00 0.00 0.00 175.10 175.09 1rfa s PHE 99 N -2.91 -0.22 -0.05 5.22 0.40 -0.08 -2.08 117.98 118.26 1rfa s PHE 99 Ca 0.55 -0.11 0.04 0.00 -0.60 0.00 0.00 56.93 56.82 1rfa s PHE 99 Cb -0.10 0.45 -0.02 0.00 0.51 0.00 0.00 43.02 43.85 1rfa s PHE 99 CO 0.42 -0.92 -0.17 0.50 0.70 0.00 0.00 175.22 175.75 1rfa s ARG 100 N -3.85 2.53 1.00 0.44 3.52 0.29 -1.90 118.95 120.98 1rfa s ARG 100 Ca 0.07 -0.75 -0.14 0.00 -0.13 0.00 0.00 55.73 54.78 1rfa s ARG 100 Cb -0.01 -2.33 0.19 0.00 -1.56 0.00 0.00 34.95 31.23 1rfa s ARG 100 CO -0.05 0.56 1.15 -0.51 -0.81 0.00 0.00 175.30 175.64 1rfa s LEU 101 N -0.57 1.74 -0.94 -0.88 1.43 -0.73 -0.08 118.68 118.65 1rfa s LEU 101 Ca 0.08 0.82 -0.24 0.00 -1.03 0.00 0.00 54.13 53.76 1rfa s LEU 101 Cb -0.11 -2.95 0.04 0.00 0.03 0.00 0.00 46.19 43.19 1rfa s LEU 101 CO 0.01 -3.03 1.47 -1.48 0.23 0.00 0.00 176.35 173.55 1rfa s LEU 102 N -6.29 3.39 0.00 1.79 2.34 -1.26 -4.58 118.68 114.08 1rfa s LEU 102 Ca 0.67 -1.11 0.22 0.00 0.06 0.00 0.00 54.13 53.97 1rfa s LEU 102 Cb -0.13 -2.57 -0.10 0.00 -0.56 0.00 0.00 46.19 42.84 1rfa s LEU 102 CO 0.55 -1.71 0.94 1.41 -1.06 0.00 0.00 176.35 176.47 1rfa n HIS 103 N 9.55 0.04 -2.20 3.48 8.25 -1.26 -4.46 115.22 128.61 1rfa n HIS 103 Ca 0.27 0.01 -0.05 0.00 -0.26 0.00 0.00 57.72 57.69 1rfa n HIS 103 Cb 0.50 -0.16 -0.02 0.00 1.12 0.00 0.00 29.99 31.44 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 -1.66 0.36 -4.61 -0.41 0.00 -1.26 -5.12 120.64 107.93 1rfa n GLU 104 Ca 0.03 -1.16 -0.28 0.00 0.00 0.00 0.00 57.16 55.75 1rfa n GLU 104 Cb 0.38 0.41 -0.10 0.00 0.00 0.00 0.00 31.44 32.12 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 -0.05 2.19 -0.12 -1.84 0.09 -1.26 -5.13 115.29 109.16 1rfa s HIS 105 Ca 0.05 -0.85 0.00 0.00 -0.00 0.00 0.00 55.06 54.27 1rfa s HIS 105 Cb 0.14 -1.59 0.02 0.00 -0.00 0.00 0.00 32.58 31.15 1rfa s HIS 105 CO -0.04 0.25 -0.12 0.21 -0.00 0.00 0.00 174.74 175.04 1rfa s LYS 106 N -3.79 1.96 0.00 1.40 2.47 -1.26 -4.83 119.74 115.69 1rfa s LYS 106 Ca 0.27 -0.43 0.00 0.00 -1.56 0.00 0.00 55.97 54.25 1rfa s LYS 106 Cb 0.07 -1.84 0.00 0.00 -1.46 0.00 0.00 37.83 34.61 1rfa s LYS 106 CO 0.14 -0.21 0.00 0.41 0.16 0.00 0.00 175.35 175.85 1rfa n GLY 107 N 4.70 2.31 0.00 5.54 0.00 -1.26 -4.89 105.19 111.59 1rfa n GLY 107 Ca -0.16 -0.47 0.00 0.00 0.00 0.00 0.00 46.02 45.40 1rfa n GLY 107 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 1rfa n LYS 108 N 0.00 3.47 -4.05 1.61 0.00 -1.26 -5.04 118.16 112.88 1rfa n LYS 108 Ca 0.00 0.00 -0.08 0.00 0.00 0.00 0.00 58.31 58.23 1rfa n LYS 108 Cb 0.00 0.00 -0.10 0.00 0.00 0.00 0.00 35.03 34.93 1rfa n LYS 108 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.40 177.55 1rfa s LYS 109 N 3.34 0.53 -0.24 1.64 1.02 -1.26 -4.25 119.74 120.52 1rfa s LYS 109 Ca 0.00 -1.04 -0.20 0.00 0.02 0.00 0.00 55.97 54.75 1rfa s LYS 109 Cb 0.00 0.19 -0.02 0.00 -0.52 0.00 0.00 37.83 37.47 1rfa s LYS 109 CO 0.00 -0.10 0.59 0.00 -0.92 0.00 0.00 175.35 174.92 1rfa s ALA 110 N -3.22 3.59 0.18 5.17 0.00 0.88 -4.89 121.76 123.47 1rfa s ALA 110 Ca 0.00 -0.45 -0.09 0.00 0.00 0.00 0.00 51.96 51.42 1rfa s ALA 110 Cb 0.03 -2.96 -0.07 0.00 0.00 0.00 0.00 23.12 20.12 1rfa s ALA 110 CO -0.07 -0.71 0.49 0.50 0.00 0.00 0.00 175.76 175.97 1rfa s ARG 111 N 2.27 3.78 0.38 0.00 3.00 -1.26 0.11 118.95 127.23 1rfa s ARG 111 Ca 0.25 0.22 0.01 0.00 -1.00 0.00 0.00 55.73 55.21 1rfa s ARG 111 Cb -0.16 -2.78 -0.00 0.00 0.00 0.00 0.00 34.95 32.01 1rfa s ARG 111 CO 0.09 0.41 0.05 1.28 0.00 0.00 0.00 175.30 177.12 1rfa n LEU 112 N 0.20 0.00 -4.97 -0.88 4.77 -0.88 -4.87 117.00 110.36 1rfa n LEU 112 Ca -0.02 -2.59 -0.20 0.00 -0.03 0.00 0.00 56.01 53.17 1rfa n LEU 112 Cb 0.52 0.51 0.02 0.00 -2.33 0.00 0.00 43.42 42.13 1rfa n LEU 112 CO 0.45 -0.38 0.17 -0.62 -1.33 0.00 0.00 177.39 175.68 1rfa s ASP 113 N -3.19 5.15 0.00 -1.43 2.15 -1.26 -4.59 116.67 113.49 1rfa s ASP 113 Ca 0.07 -0.79 0.24 0.00 0.43 0.00 0.00 52.55 52.50 1rfa s ASP 113 Cb 0.00 -0.11 0.59 0.00 -0.30 0.00 0.00 42.92 43.10 1rfa s ASP 113 CO 0.05 -1.00 1.48 0.79 -0.17 0.00 0.00 175.17 176.32 1rfa n TRP 114 N -1.91 0.17 -2.59 -5.34 5.03 -1.26 -3.52 117.44 108.02 1rfa n TRP 114 Ca 0.08 -0.08 -0.13 0.00 3.03 0.00 0.00 57.50 60.40 1rfa n TRP 114 Cb 0.61 0.00 0.03 0.00 -1.03 0.00 0.00 31.31 30.92 1rfa n TRP 114 CO 0.00 0.00 0.00 0.09 -0.03 0.00 0.00 177.69 177.75 1rfa n ASN 115 N 0.85 2.54 -0.00 -0.99 4.13 -1.26 -0.60 115.26 119.92 1rfa n ASN 115 Ca 0.17 -2.92 0.14 0.00 1.68 0.00 0.00 54.58 53.65 1rfa n ASN 115 Cb 0.48 -0.49 0.54 0.00 -1.54 0.00 0.00 39.78 38.77 1rfa n ASN 115 CO 0.00 0.00 0.00 1.07 0.28 0.00 0.00 177.26 178.61 1rfa n THR 116 N -0.31 0.00 -1.85 3.41 5.66 -1.23 -4.75 114.28 115.21 1rfa n THR 116 Ca 0.19 -0.00 -0.01 0.00 -3.05 0.00 0.00 64.05 61.18 1rfa n THR 116 Cb 0.79 -0.32 0.00 0.00 -1.55 0.00 0.00 70.33 69.25 1rfa n THR 116 CO 0.00 0.00 0.00 -0.67 -3.05 0.00 0.00 175.07 171.35 1rfa n ASP 117 N -1.48 -3.68 0.00 1.09 2.03 -1.26 -4.77 116.55 108.48 1rfa n ASP 117 Ca 0.07 0.33 0.08 0.00 0.52 0.00 0.00 54.79 55.79 1rfa n ASP 117 Cb 0.33 -2.22 0.38 0.00 -0.72 0.00 0.00 41.12 38.89 1rfa n ASP 117 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 1rfa n ALA 118 N 0.01 1.81 1.17 -1.67 0.00 -1.26 -0.14 120.51 120.43 1rfa n ALA 118 Ca 0.01 -0.06 0.13 0.00 0.00 0.00 0.00 53.44 53.52 1rfa n ALA 118 Cb 0.04 -1.28 0.65 0.00 0.00 0.00 0.00 19.45 18.86 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 -1.48 2.33 0.59 0.00 0.00 -1.26 -1.32 120.51 119.37 1rfa n ALA 119 Ca 0.05 -0.12 0.10 0.00 0.00 0.00 0.00 53.44 53.47 1rfa n ALA 119 Cb 0.19 -1.45 -0.12 0.00 0.00 0.00 0.00 19.45 18.07 1rfa n ALA 119 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 1rfa n SER 120 N -1.37 0.59 -1.18 0.00 2.88 0.80 -3.73 113.62 111.60 1rfa n SER 120 Ca 0.11 -0.56 0.08 0.00 -1.33 0.00 0.00 58.87 57.17 1rfa n SER 120 Cb 0.26 1.35 0.29 0.00 -0.75 0.00 0.00 64.21 65.37 1rfa n SER 120 CO 0.00 0.00 0.00 0.18 -1.23 0.00 0.00 175.04 173.99 1rfa n LEU 121 N -1.82 4.33 -4.75 2.46 7.99 -0.43 -5.00 117.00 119.77 1rfa n LEU 121 Ca 0.01 -2.81 -0.41 0.00 -0.01 0.00 0.00 56.01 52.79 1rfa n LEU 121 Cb 0.43 -0.55 -0.03 0.00 -0.11 0.00 0.00 43.42 43.16 1rfa n LEU 121 CO 0.44 0.69 0.89 -0.51 -1.51 0.00 0.00 177.39 177.38 1rfa s ILE 122 N -2.49 3.40 0.00 -0.08 1.10 -0.59 -2.56 121.20 119.98 1rfa s ILE 122 Ca 0.44 1.24 0.00 0.00 -0.51 0.00 0.00 60.65 61.83 1rfa s ILE 122 Cb 0.33 -3.79 0.00 0.00 0.15 0.00 0.00 42.46 39.15 1rfa s ILE 122 CO 0.13 0.23 0.00 0.61 -2.11 0.00 0.00 174.94 173.81 1rfa n GLY 123 N 1.81 0.68 0.00 1.50 0.00 -0.12 -4.72 105.19 104.35 1rfa n GLY 123 Ca 0.03 -0.72 0.00 0.00 0.00 0.00 0.00 46.02 45.33 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 -1.90 2.94 -4.26 1.61 -0.58 -1.06 -5.06 120.64 112.34 1rfa n GLU 124 Ca 0.00 0.00 -0.23 0.00 -0.42 0.00 0.00 57.16 56.51 1rfa n GLU 124 Cb 0.17 0.00 -0.17 0.00 -0.57 0.00 0.00 31.44 30.88 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 1.33 1.29 0.22 3.49 2.02 -1.26 -3.31 118.70 122.48 1rfa s GLU 125 Ca 0.00 -0.24 0.07 0.00 0.02 0.00 0.00 54.97 54.82 1rfa s GLU 125 Cb 0.00 -1.21 -0.04 0.00 0.10 0.00 0.00 34.13 32.98 1rfa s GLU 125 CO 0.00 -0.09 0.14 -0.51 0.02 0.00 0.00 175.26 174.82 1rfa s LEU 126 N 1.03 3.70 0.05 1.80 1.43 0.93 -1.78 118.68 125.84 1rfa s LEU 126 Ca -0.09 -0.27 -0.06 0.00 -1.03 0.00 0.00 54.13 52.68 1rfa s LEU 126 Cb -0.14 -2.26 -0.01 0.00 0.03 0.00 0.00 46.19 43.80 1rfa s LEU 126 CO -0.00 0.01 0.10 -1.58 0.23 0.00 0.00 176.35 175.11 1rfa s GLN 127 N -3.54 0.67 0.08 1.70 0.74 -0.80 -0.91 119.66 117.60 1rfa s GLN 127 Ca 0.32 -0.90 0.07 0.00 0.05 0.00 0.00 55.36 54.90 1rfa s GLN 127 Cb -0.08 0.26 -0.04 0.00 1.10 0.00 0.00 33.01 34.25 1rfa s GLN 127 CO 0.23 -0.18 -0.15 0.08 -0.55 0.00 0.00 175.29 174.72 1rfa s VAL 128 N -3.23 3.02 0.00 1.34 1.01 -0.83 -0.90 120.40 120.81 1rfa s VAL 128 Ca 0.00 -1.28 0.00 0.00 0.00 0.00 0.00 61.98 60.70 1rfa s VAL 128 Cb 0.02 -2.35 0.00 0.00 0.00 0.00 0.00 36.38 34.06 1rfa s VAL 128 CO -0.07 0.21 0.00 -0.67 0.00 0.00 0.00 175.10 174.56 1rfa n ASP 129 N 1.09 0.00 -4.35 3.32 -0.08 0.18 -3.45 116.55 113.26 1rfa n ASP 129 Ca -0.15 -0.43 -0.29 0.00 -1.51 0.00 0.00 54.79 52.41 1rfa n ASP 129 Cb 0.52 0.00 0.19 0.00 2.34 0.00 0.00 41.12 44.17 1rfa n ASP 129 CO 0.00 0.00 0.00 0.12 0.12 0.00 0.00 177.20 177.44 1rfa s PHE 130 N -1.85 1.60 0.37 -0.67 5.36 -1.26 -0.61 117.98 120.92 1rfa s PHE 130 Ca 0.00 0.70 0.07 0.00 -0.96 0.00 0.00 56.93 56.74 1rfa s PHE 130 Cb 0.00 -3.46 0.74 0.00 -0.34 0.00 0.00 43.02 39.96 1rfa s PHE 130 CO 0.00 -3.08 1.94 1.37 -1.46 0.00 0.00 175.22 173.98 1rfa h LEU 131 N -2.01 0.38 0.00 6.12 8.10 -1.73 -2.32 115.31 123.86 1rfa h LEU 131 Ca -0.49 -0.06 0.00 0.00 0.11 0.00 0.00 57.88 57.44 1rfa h LEU 131 Cb 1.31 -0.10 0.00 0.00 -0.44 0.00 0.00 40.66 41.43 1rfa h LEU 131 CO 0.49 0.44 0.00 -0.67 -4.11 0.00 0.00 178.44 174.58