#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 0.14 -4.19 -3.46 5.15 -1.26 -4.78 115.26 106.85 1rfa n ASN 56 Ca 0.00 -1.91 -0.23 0.00 -0.60 0.00 0.00 54.58 51.84 1rfa n ASN 56 Cb 0.00 -0.19 -0.14 0.00 -0.53 0.00 0.00 39.78 38.92 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 1.41 0.04 -0.44 -4.23 -1.26 -2.74 115.64 108.42 1rfa s THR 57 Ca 0.05 -1.03 -0.03 0.00 -1.18 0.00 0.00 61.69 59.51 1rfa s THR 57 Cb 0.06 -1.23 -0.02 0.00 1.34 0.00 0.00 72.50 72.65 1rfa s THR 57 CO -0.03 0.18 0.03 -0.63 -0.54 0.00 0.00 174.62 173.63 1rfa s ILE 58 N -0.73 0.16 0.08 2.99 1.01 -0.23 0.03 121.20 124.52 1rfa s ILE 58 Ca 0.05 -1.34 0.03 0.00 0.00 0.00 0.00 60.65 59.40 1rfa s ILE 58 Cb -0.08 -1.03 -0.04 0.00 0.01 0.00 0.00 42.46 41.32 1rfa s ILE 58 CO 0.01 -0.74 0.07 -0.13 0.00 0.00 0.00 174.94 174.15 1rfa s ARG 59 N -2.95 2.84 -0.18 2.79 3.00 -1.02 -0.08 118.95 123.34 1rfa s ARG 59 Ca -0.02 -0.72 0.00 0.00 0.00 0.00 0.00 55.73 55.00 1rfa s ARG 59 Cb 0.01 -2.70 0.04 0.00 0.00 0.00 0.00 34.95 32.30 1rfa s ARG 59 CO -0.06 0.56 -0.10 0.08 0.00 0.00 0.00 175.30 175.78 1rfa s VAL 60 N -1.40 1.51 -0.06 3.52 1.01 0.60 1.00 120.40 126.58 1rfa s VAL 60 Ca 0.29 -0.87 -0.03 0.00 0.00 0.00 0.00 61.98 61.37 1rfa s VAL 60 Cb -0.12 -1.58 -0.04 0.00 0.00 0.00 0.00 36.38 34.64 1rfa s VAL 60 CO 0.22 0.20 0.10 -0.36 0.00 0.00 0.00 175.10 175.25 1rfa s PHE 61 N 1.46 3.41 0.50 5.22 0.40 0.52 -1.66 117.98 127.83 1rfa s PHE 61 Ca 0.00 0.34 0.03 0.00 -0.60 0.00 0.00 56.93 56.70 1rfa s PHE 61 Cb -0.16 -1.83 0.02 0.00 0.51 0.00 0.00 43.02 41.56 1rfa s PHE 61 CO -0.08 0.61 0.71 -0.51 0.70 0.00 0.00 175.22 176.65 1rfa s LEU 62 N -1.34 3.43 0.07 -0.37 2.01 0.12 -1.25 118.68 121.35 1rfa s LEU 62 Ca 0.19 -0.07 0.27 0.00 0.01 0.00 0.00 54.13 54.53 1rfa s LEU 62 Cb -0.12 -2.85 0.92 0.00 0.01 0.00 0.00 46.19 44.15 1rfa s LEU 62 CO 0.09 -0.98 1.75 -2.65 1.01 0.00 0.00 176.35 175.57 1rfa n PRO 63 N -2.18 0.10 -0.51 1.29 -0.02 -1.19 -0.93 135.00 131.57 1rfa n PRO 63 Ca 0.07 0.07 -0.01 0.00 -2.02 0.00 0.00 63.50 61.61 1rfa n PRO 63 Cb 0.59 -1.61 0.18 0.00 -0.02 0.00 0.00 33.50 32.64 1rfa n PRO 63 CO 0.00 0.00 0.00 0.27 1.98 0.00 0.00 175.50 177.75 1rfa n ASN 64 N -1.78 3.42 0.00 2.55 6.94 -1.26 -4.83 115.26 120.30 1rfa n ASN 64 Ca 0.06 -2.57 0.00 0.00 -0.02 0.00 0.00 54.58 52.05 1rfa n ASN 64 Cb 0.38 -0.62 0.00 0.00 -2.36 0.00 0.00 39.78 37.18 1rfa n ASN 64 CO 0.00 0.00 0.00 0.29 -1.03 0.00 0.00 177.26 176.52 1rfa n LYS 65 N 0.14 0.00 -2.33 -3.83 4.76 -0.10 -4.98 118.16 111.81 1rfa n LYS 65 Ca 0.19 0.00 -0.26 0.00 -2.87 0.00 0.00 58.31 55.36 1rfa n LYS 65 Cb 0.84 -2.77 0.16 0.00 -1.84 0.00 0.00 35.03 31.41 1rfa n LYS 65 CO 0.00 0.00 0.00 -0.65 -1.37 0.00 0.00 177.40 175.38 1rfa s GLN 66 N -0.07 1.02 0.20 1.97 -1.52 -1.23 -4.68 119.66 115.35 1rfa s GLN 66 Ca 0.00 -0.94 -0.20 0.00 -1.95 0.00 0.00 55.36 52.27 1rfa s GLN 66 Cb 0.00 -2.11 0.04 0.00 -0.22 0.00 0.00 33.01 30.72 1rfa s GLN 66 CO 0.00 -2.01 0.60 -0.98 -0.25 0.00 0.00 175.29 172.65 1rfa s ARG 67 N -5.52 1.45 -0.06 2.91 3.03 -1.25 0.16 118.95 119.67 1rfa s ARG 67 Ca 0.72 -0.75 -0.31 0.00 2.03 0.00 0.00 55.73 57.42 1rfa s ARG 67 Cb -0.03 0.57 0.12 0.00 -1.03 0.00 0.00 34.95 34.58 1rfa s ARG 67 CO 0.49 -0.63 1.37 -0.08 -1.13 0.00 0.00 175.30 175.31 1rfa s THR 68 N -3.84 0.00 0.06 4.99 -1.32 -0.67 -4.93 115.64 109.93 1rfa s THR 68 Ca 0.07 -0.09 0.09 0.00 -1.21 0.00 0.00 61.69 60.55 1rfa s THR 68 Cb -0.02 -2.34 -0.03 0.00 -1.51 0.00 0.00 72.50 68.59 1rfa s THR 68 CO -0.04 0.00 -0.26 0.54 -2.21 0.00 0.00 174.62 172.65 1rfa s VAL 69 N -2.11 2.10 0.18 5.08 0.11 -1.26 -0.29 120.40 124.21 1rfa s VAL 69 Ca 0.20 -1.45 -0.00 0.00 -2.93 0.00 0.00 61.98 57.81 1rfa s VAL 69 Cb 0.04 -1.82 -0.04 0.00 -1.53 0.00 0.00 36.38 33.03 1rfa s VAL 69 CO -0.04 0.29 0.08 0.68 -3.33 0.00 0.00 175.10 172.77 1rfa s VAL 70 N -0.86 0.21 0.15 2.04 -7.23 0.89 -4.93 120.40 110.66 1rfa s VAL 70 Ca 0.12 -1.96 0.10 0.00 -1.81 0.00 0.00 61.98 58.42 1rfa s VAL 70 Cb -0.10 -2.30 -0.04 0.00 0.56 0.00 0.00 36.38 34.50 1rfa s VAL 70 CO 0.03 -0.23 -0.23 0.20 -0.31 0.00 0.00 175.10 174.56 1rfa s ASN 71 N -3.14 3.01 -0.07 4.85 0.01 -1.26 -1.07 114.94 117.27 1rfa s ASN 71 Ca 0.31 -0.79 -0.16 0.00 -0.71 0.00 0.00 52.86 51.52 1rfa s ASN 71 Cb 0.07 -0.19 -0.05 0.00 0.41 0.00 0.00 41.25 41.49 1rfa s ASN 71 CO 0.07 0.09 0.42 0.54 -1.51 0.00 0.00 177.10 176.71 1rfa s VAL 72 N -1.45 5.14 0.17 1.60 0.11 -1.11 -4.97 120.40 119.88 1rfa s VAL 72 Ca 0.14 0.84 0.01 0.00 -2.93 0.00 0.00 61.98 60.04 1rfa s VAL 72 Cb -0.09 -3.74 0.01 0.00 -1.53 0.00 0.00 36.38 31.03 1rfa s VAL 72 CO 0.07 0.44 0.08 0.54 -3.33 0.00 0.00 175.10 172.90 1rfa n ARG 73 N 2.88 1.39 -2.64 1.54 5.12 -1.26 -5.01 116.66 118.67 1rfa n ARG 73 Ca -0.11 -1.11 -0.43 0.00 -1.93 0.00 0.00 57.85 54.27 1rfa n ARG 73 Cb 0.52 0.19 -0.03 0.00 -1.16 0.00 0.00 32.46 31.99 1rfa n ARG 73 CO 0.00 0.00 0.00 0.54 -1.93 0.00 0.00 177.63 176.24 1rfa s ASN 74 N -1.96 6.55 0.00 0.55 4.22 -1.26 -2.91 114.94 120.13 1rfa s ASN 74 Ca 0.06 0.27 0.00 0.00 -2.14 0.00 0.00 52.86 51.05 1rfa s ASN 74 Cb -0.00 -2.53 0.00 0.00 1.28 0.00 0.00 41.25 40.00 1rfa s ASN 74 CO 0.04 -1.29 0.00 0.61 -2.04 0.00 0.00 177.10 174.42 1rfa n GLY 75 N 4.94 1.37 3.81 0.45 0.00 -1.26 -5.10 105.19 109.41 1rfa n GLY 75 Ca 0.10 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.84 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 -0.26 2.97 -0.30 1.61 -1.94 -1.15 -4.96 119.30 115.28 1rfa s MET 76 Ca 0.00 -0.79 -0.12 0.00 -1.71 0.00 0.00 55.69 53.07 1rfa s MET 76 Cb 0.00 -2.71 0.15 0.00 2.01 0.00 0.00 34.83 34.28 1rfa s MET 76 CO 0.00 0.51 0.81 -1.12 -0.01 0.00 0.00 175.02 175.21 1rfa s SER 77 N -2.96 -0.89 0.07 3.03 0.01 -1.26 -4.77 113.70 106.94 1rfa s SER 77 Ca 0.31 1.14 0.00 0.00 1.31 0.00 0.00 55.95 58.71 1rfa s SER 77 Cb -0.11 1.98 0.00 0.00 0.21 0.00 0.00 66.02 68.10 1rfa s SER 77 CO 0.24 -0.17 0.00 0.18 0.41 0.00 0.00 173.24 173.90 1rfa n LEU 78 N 5.24 0.00 0.14 2.44 7.99 -1.01 -0.72 117.00 131.08 1rfa n LEU 78 Ca -0.10 0.00 -0.13 0.00 -0.01 0.00 0.00 56.01 55.77 1rfa n LEU 78 Cb 0.51 0.00 -0.06 0.00 -0.11 0.00 0.00 43.42 43.76 1rfa n LEU 78 CO -0.04 0.00 0.69 0.45 -1.51 0.00 0.00 177.39 176.98 1rfa h HIS 79 N 0.00 -0.71 -0.07 -1.77 3.86 -1.58 1.59 115.15 116.46 1rfa h HIS 79 Ca 0.00 0.01 0.00 0.00 -1.16 0.00 0.00 60.37 59.22 1rfa h HIS 79 Cb 0.00 0.29 0.00 0.00 1.06 0.00 0.00 27.41 28.76 1rfa h HIS 79 CO 0.00 -0.38 0.00 -0.25 0.86 0.00 0.00 177.93 178.16 1rfa n ASP 80 N -5.38 0.90 -0.00 2.45 9.92 0.10 0.49 116.55 125.03 1rfa n ASP 80 Ca -0.08 -1.51 0.07 0.00 -0.53 0.00 0.00 54.79 52.74 1rfa n ASP 80 Cb 0.29 -0.04 -0.10 0.00 -0.64 0.00 0.00 41.12 40.63 1rfa n ASP 80 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 1rfa n LEU 82 N -1.74 0.07 0.00 0.00 4.77 0.52 -3.94 117.00 116.68 1rfa n LEU 82 Ca -0.01 -0.08 0.03 0.00 -0.03 0.00 0.00 56.01 55.93 1rfa n LEU 82 Cb 0.30 0.00 0.14 0.00 -2.33 0.00 0.00 43.42 41.53 1rfa n LEU 82 CO 0.28 0.02 0.58 0.80 -1.33 0.00 0.00 177.39 177.74 1rfa n MET 83 N -1.77 0.03 -0.00 3.23 1.56 0.18 0.89 117.12 121.24 1rfa n MET 83 Ca -0.01 0.34 -0.09 0.00 -0.27 0.00 0.00 57.70 57.67 1rfa n MET 83 Cb 0.25 -1.50 -0.07 0.00 2.15 0.00 0.00 33.22 34.05 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 -0.11 0.00 2.12 6.56 -1.79 -3.06 116.57 120.29 1rfa h LYS 84 Ca 0.00 0.01 -0.05 0.00 -1.06 0.00 0.00 60.65 59.55 1rfa h LYS 84 Cb 0.09 0.02 -0.01 0.00 -0.57 0.00 0.00 32.23 31.77 1rfa h LYS 84 CO 0.00 0.36 -0.22 0.00 -2.06 0.00 0.00 179.45 177.53 1rfa h ALA 85 N -0.42 0.99 0.00 3.86 0.00 0.32 -2.43 119.26 121.58 1rfa h ALA 85 Ca -0.01 -0.20 0.00 0.00 0.00 0.00 0.00 54.91 54.70 1rfa h ALA 85 Cb 0.52 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.27 1rfa h ALA 85 CO 0.02 0.27 -1.55 1.28 0.00 0.00 0.00 179.25 179.27 1rfa n LEU 86 N -3.35 0.06 -0.12 0.00 4.77 0.77 -4.08 117.00 115.05 1rfa n LEU 86 Ca 0.00 -0.04 -0.06 0.00 -0.03 0.00 0.00 56.01 55.88 1rfa n LEU 86 Cb 0.45 0.00 0.02 0.00 -2.33 0.00 0.00 43.42 41.56 1rfa n LEU 86 CO 0.33 0.01 0.95 0.50 -1.33 0.00 0.00 177.39 177.86 1rfa h LYS 87 N 0.00 0.29 0.00 3.23 3.11 -1.34 1.32 116.57 123.18 1rfa h LYS 87 Ca 0.00 -0.02 -0.02 0.00 -2.81 0.00 0.00 60.65 57.81 1rfa h LYS 87 Cb 0.61 -0.07 -0.00 0.00 -1.00 0.00 0.00 32.23 31.77 1rfa h LYS 87 CO 0.00 0.19 -0.08 -0.24 -2.81 0.00 0.00 179.45 176.51 1rfa h VAL 88 N 0.30 0.50 0.06 2.00 3.04 -1.61 -2.60 116.25 117.95 1rfa h VAL 88 Ca 0.17 -0.37 -0.28 0.00 -1.01 0.00 0.00 66.70 65.22 1rfa h VAL 88 Cb 0.15 1.25 -0.02 0.00 -2.01 0.00 0.00 31.29 30.65 1rfa h VAL 88 CO -0.17 0.08 -1.49 0.03 -1.01 0.00 0.00 177.57 175.01 1rfa h ARG 89 N 0.00 0.12 0.00 4.17 2.47 -1.45 -3.48 114.38 116.20 1rfa h ARG 89 Ca -0.00 -0.20 0.00 0.00 -1.26 0.00 0.00 59.98 58.52 1rfa h ARG 89 Cb 0.24 0.07 0.00 0.00 -1.65 0.00 0.00 29.97 28.64 1rfa h ARG 89 CO 0.01 1.10 0.00 0.41 0.56 0.00 0.00 179.97 182.05 1rfa n GLY 90 N 1.65 1.80 3.78 0.04 0.00 0.41 -5.09 105.19 107.78 1rfa n GLY 90 Ca -0.31 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.48 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 3.19 -0.08 0.99 1.43 0.13 -5.01 118.68 119.34 1rfa s LEU 91 Ca 0.00 -0.99 0.03 0.00 -1.03 0.00 0.00 54.13 52.14 1rfa s LEU 91 Cb 0.00 -1.61 -0.02 0.00 0.03 0.00 0.00 46.19 44.59 1rfa s LEU 91 CO 0.00 -0.57 -0.15 -1.10 0.23 0.00 0.00 176.35 174.76 1rfa s GLN 92 N -3.97 2.83 0.03 1.70 -0.21 -1.26 -4.46 119.66 114.32 1rfa s GLN 92 Ca 0.43 -0.72 0.22 0.00 0.02 0.00 0.00 55.36 55.31 1rfa s GLN 92 Cb 0.02 -2.44 -0.11 0.00 1.00 0.00 0.00 33.01 31.48 1rfa s GLN 92 CO 0.24 0.44 0.85 -0.35 -2.12 0.00 0.00 175.29 174.35 1rfa n PRO 93 N 2.85 0.35 0.09 2.91 -0.04 -1.26 -3.85 135.00 136.05 1rfa n PRO 93 Ca -0.18 -0.05 0.12 0.00 -0.04 0.00 0.00 63.50 63.35 1rfa n PRO 93 Cb 0.52 -1.57 0.45 0.00 -0.04 0.00 0.00 33.50 32.87 1rfa n PRO 93 CO 0.00 0.00 0.00 0.39 -0.04 0.00 0.00 175.50 175.85 1rfa n GLU 94 N -1.99 0.16 -0.38 0.54 4.71 -1.26 -2.00 120.64 120.42 1rfa n GLU 94 Ca 0.01 0.27 0.08 0.00 -0.01 0.00 0.00 57.16 57.51 1rfa n GLU 94 Cb 0.46 -1.75 0.23 0.00 -1.01 0.00 0.00 31.44 29.38 1rfa n GLU 94 CO 0.00 0.00 0.00 0.00 0.09 0.00 0.00 177.13 177.22 1rfa s ALA 97 N -3.68 2.27 0.16 0.00 0.00 0.42 -4.64 121.76 116.30 1rfa s ALA 97 Ca 0.36 -1.03 0.06 0.00 0.00 0.00 0.00 51.96 51.36 1rfa s ALA 97 Cb 0.06 -0.75 -0.04 0.00 0.00 0.00 0.00 23.12 22.38 1rfa s ALA 97 CO 0.16 0.42 0.05 0.54 0.00 0.00 0.00 175.76 176.93 1rfa s VAL 98 N -0.20 4.02 0.14 0.00 0.11 -1.26 0.13 120.40 123.34 1rfa s VAL 98 Ca -0.02 -1.26 -0.08 0.00 -2.93 0.00 0.00 61.98 57.69 1rfa s VAL 98 Cb -0.13 -3.02 -0.01 0.00 -1.53 0.00 0.00 36.38 31.68 1rfa s VAL 98 CO 0.03 -0.09 0.24 -0.36 -3.33 0.00 0.00 175.10 171.60 1rfa s PHE 99 N -1.70 0.34 0.16 1.54 0.40 0.14 -2.42 117.98 116.45 1rfa s PHE 99 Ca 0.29 -0.73 -0.10 0.00 -0.60 0.00 0.00 56.93 55.79 1rfa s PHE 99 Cb -0.10 -0.08 -0.07 0.00 0.51 0.00 0.00 43.02 43.29 1rfa s PHE 99 CO 0.20 -0.65 0.49 1.03 0.70 0.00 0.00 175.22 177.00 1rfa s ARG 100 N -3.93 3.81 0.64 0.44 0.52 0.19 -1.05 118.95 119.57 1rfa s ARG 100 Ca 0.13 0.25 -0.11 0.00 -0.52 0.00 0.00 55.73 55.49 1rfa s ARG 100 Cb 0.04 -2.82 0.15 0.00 0.52 0.00 0.00 34.95 32.84 1rfa s ARG 100 CO -0.04 0.43 0.78 1.28 0.02 0.00 0.00 175.30 177.77 1rfa n LEU 101 N 0.34 0.00 -4.28 2.53 4.32 -1.19 -0.48 117.00 118.24 1rfa n LEU 101 Ca -0.03 -0.84 -0.43 0.00 -0.02 0.00 0.00 56.01 54.68 1rfa n LEU 101 Cb 0.52 -0.62 0.00 0.00 -1.62 0.00 0.00 43.42 41.70 1rfa n LEU 101 CO 0.44 -1.26 1.85 0.00 -1.22 0.00 0.00 177.39 177.20 1rfa n LEU 102 N 0.00 5.65 0.08 2.23 -0.00 -1.26 -4.38 117.00 119.32 1rfa n LEU 102 Ca 0.10 -4.30 0.12 0.00 -0.00 0.00 0.00 56.01 51.92 1rfa n LEU 102 Cb 0.36 -1.63 0.14 0.00 -0.00 0.00 0.00 43.42 42.28 1rfa n LEU 102 CO 0.26 0.75 0.31 0.45 -0.00 0.00 0.00 177.39 179.15 1rfa h HIS 103 N 6.82 0.00 -0.10 1.47 3.86 -1.93 -3.36 115.15 121.91 1rfa h HIS 103 Ca 0.40 0.00 -0.18 0.00 -1.16 0.00 0.00 60.37 59.44 1rfa h HIS 103 Cb 0.79 0.00 -0.26 0.00 1.06 0.00 0.00 27.41 29.00 1rfa h HIS 103 CO 1.27 0.00 -0.65 -0.85 0.86 0.00 0.00 177.93 178.56 1rfa n GLU 104 N -2.30 0.80 -4.27 2.45 0.00 -1.26 -5.10 120.64 110.95 1rfa n GLU 104 Ca 0.03 -1.88 -0.19 0.00 0.00 0.00 0.00 57.16 55.12 1rfa n GLU 104 Cb 0.47 -0.13 -0.08 0.00 0.00 0.00 0.00 31.44 31.69 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 -0.87 1.69 -0.03 -1.84 0.09 -1.26 -5.11 115.29 107.95 1rfa s HIS 105 Ca 0.16 -1.63 0.01 0.00 -0.00 0.00 0.00 55.06 53.60 1rfa s HIS 105 Cb 0.29 -0.68 0.02 0.00 -0.00 0.00 0.00 32.58 32.21 1rfa s HIS 105 CO -0.08 -0.86 -0.02 0.15 -0.00 0.00 0.00 174.74 173.93 1rfa s LYS 106 N -3.49 0.48 0.00 1.40 3.01 -1.26 -4.77 119.74 115.10 1rfa s LYS 106 Ca 0.40 0.00 0.00 0.00 -1.01 0.00 0.00 55.97 55.37 1rfa s LYS 106 Cb 0.03 -0.58 0.00 0.00 -1.01 0.00 0.00 37.83 36.26 1rfa s LYS 106 CO 0.26 -0.10 0.00 0.41 0.51 0.00 0.00 175.35 176.43 1rfa n GLY 107 N 4.03 2.80 0.00 -3.33 0.00 -1.26 -4.91 105.19 102.52 1rfa n GLY 107 Ca -0.26 -0.69 0.00 0.00 0.00 0.00 0.00 46.02 45.07 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 3.97 -4.09 1.61 5.02 -1.26 -5.08 118.16 118.33 1rfa n LYS 108 Ca 0.00 0.00 -0.08 0.00 -2.02 0.00 0.00 58.31 56.21 1rfa n LYS 108 Cb 0.00 0.00 -0.10 0.00 -0.02 0.00 0.00 35.03 34.91 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 1.84 0.75 -0.26 1.97 1.02 -1.26 -4.01 119.74 119.79 1rfa s LYS 109 Ca 0.00 -1.27 -0.12 0.00 0.02 0.00 0.00 55.97 54.60 1rfa s LYS 109 Cb 0.00 0.24 -0.05 0.00 -0.52 0.00 0.00 37.83 37.50 1rfa s LYS 109 CO 0.00 -0.18 0.22 0.00 -0.92 0.00 0.00 175.35 174.46 1rfa s ALA 110 N -3.96 3.56 0.11 5.17 0.00 0.36 -4.93 121.76 122.07 1rfa s ALA 110 Ca 0.13 -0.97 -0.13 0.00 0.00 0.00 0.00 51.96 50.99 1rfa s ALA 110 Cb 0.07 -2.48 -0.06 0.00 0.00 0.00 0.00 23.12 20.65 1rfa s ALA 110 CO -0.06 -0.45 0.49 0.50 0.00 0.00 0.00 175.76 176.23 1rfa s ARG 111 N 1.59 3.91 0.00 0.00 3.00 -1.26 0.55 118.95 126.73 1rfa s ARG 111 Ca 0.09 0.38 0.00 0.00 -1.00 0.00 0.00 55.73 55.20 1rfa s ARG 111 Cb -0.15 -2.99 0.00 0.00 0.00 0.00 0.00 34.95 31.80 1rfa s ARG 111 CO 0.09 0.53 0.00 1.28 0.00 0.00 0.00 175.30 177.20 1rfa n LEU 112 N 0.97 0.00 -4.65 -0.88 4.77 -1.02 -4.89 117.00 111.29 1rfa n LEU 112 Ca -0.07 0.00 -0.26 0.00 -0.03 0.00 0.00 56.01 55.64 1rfa n LEU 112 Cb 0.52 0.00 -0.10 0.00 -2.33 0.00 0.00 43.42 41.51 1rfa n LEU 112 CO 0.42 0.00 -0.25 -0.62 -1.33 0.00 0.00 177.39 175.60 1rfa s ASP 113 N 0.87 4.07 0.00 -1.43 2.15 -1.26 -4.89 116.67 116.18 1rfa s ASP 113 Ca 0.00 -1.23 0.23 0.00 0.43 0.00 0.00 52.55 51.98 1rfa s ASP 113 Cb 0.00 -0.44 0.03 0.00 -0.30 0.00 0.00 42.92 42.21 1rfa s ASP 113 CO 0.00 -0.44 1.11 0.79 -0.17 0.00 0.00 175.17 176.46 1rfa n TRP 114 N -1.04 0.00 -0.92 -5.34 5.03 -1.26 -3.46 117.44 110.46 1rfa n TRP 114 Ca -0.04 0.00 0.08 0.00 3.03 0.00 0.00 57.50 60.57 1rfa n TRP 114 Cb 0.65 -0.00 0.34 0.00 -1.03 0.00 0.00 31.31 31.27 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 0.00 4.83 -4.75 -0.99 5.15 -1.26 -1.53 115.26 116.71 1rfa n ASN 115 Ca 0.10 -2.93 -0.40 0.00 -0.60 0.00 0.00 54.58 50.75 1rfa n ASN 115 Cb 0.47 -0.61 -0.06 0.00 -0.53 0.00 0.00 39.78 39.05 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 -2.71 4.02 -0.59 -0.44 2.01 -1.22 -4.84 115.64 111.86 1rfa s THR 116 Ca 0.48 2.01 -0.27 0.00 0.31 0.00 0.00 61.69 64.23 1rfa s THR 116 Cb 0.37 -4.28 -0.01 0.00 0.01 0.00 0.00 72.50 68.59 1rfa s THR 116 CO 0.13 0.47 1.76 1.51 -0.69 0.00 0.00 174.62 177.80 1rfa s ASP 117 N -1.09 5.50 0.65 3.53 -4.77 -1.26 -2.41 116.67 116.81 1rfa s ASP 117 Ca 0.42 0.35 0.41 0.00 -3.30 0.00 0.00 52.55 50.44 1rfa s ASP 117 Cb -0.27 -2.53 2.31 0.00 -1.09 0.00 0.00 42.92 41.34 1rfa s ASP 117 CO 0.33 -2.20 2.35 0.00 0.70 0.00 0.00 175.17 176.35 1rfa h ALA 118 N 13.92 1.12 0.00 2.11 0.00 -1.90 0.65 119.26 135.16 1rfa h ALA 118 Ca -0.27 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.64 1rfa h ALA 118 Cb 1.15 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.94 1rfa h ALA 118 CO 1.20 -0.00 0.00 0.00 0.00 0.00 0.00 179.25 180.45 1rfa n ALA 119 N -2.14 2.34 0.40 0.00 0.00 -1.26 -0.99 120.51 118.87 1rfa n ALA 119 Ca -0.03 -0.13 0.08 0.00 0.00 0.00 0.00 53.44 53.36 1rfa n ALA 119 Cb 0.07 -1.42 -0.11 0.00 0.00 0.00 0.00 19.45 17.99 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 -1.23 0.95 -1.49 0.00 7.64 0.23 -3.84 113.62 115.88 1rfa n SER 120 Ca 0.14 -0.47 0.09 0.00 1.01 0.00 0.00 58.87 59.64 1rfa n SER 120 Cb 0.18 1.36 0.34 0.00 -1.01 0.00 0.00 64.21 65.09 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 -1.72 4.72 -4.74 -3.43 7.99 -0.16 -4.97 117.00 114.69 1rfa n LEU 121 Ca 0.00 -2.57 -0.41 0.00 -0.01 0.00 0.00 56.01 53.02 1rfa n LEU 121 Cb 0.34 -0.57 -0.03 0.00 -0.11 0.00 0.00 43.42 43.05 1rfa n LEU 121 CO 0.34 0.76 0.95 -0.51 -1.51 0.00 0.00 177.39 177.42 1rfa s ILE 122 N -2.07 3.29 0.00 -0.08 1.10 -0.43 -2.79 121.20 120.23 1rfa s ILE 122 Ca 0.49 1.09 0.00 0.00 -0.51 0.00 0.00 60.65 61.72 1rfa s ILE 122 Cb 0.33 -3.69 0.00 0.00 0.15 0.00 0.00 42.46 39.25 1rfa s ILE 122 CO 0.21 0.17 0.00 0.61 -2.11 0.00 0.00 174.94 173.82 1rfa n GLY 123 N 2.20 0.91 0.69 1.50 0.00 0.10 -4.63 105.19 105.95 1rfa n GLY 123 Ca 0.05 -0.59 -0.04 0.00 0.00 0.00 0.00 46.02 45.44 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 -0.53 0.13 -4.69 1.61 -0.58 -1.12 -5.03 120.64 110.43 1rfa n GLU 124 Ca 0.00 -0.72 -0.33 0.00 -0.42 0.00 0.00 57.16 55.69 1rfa n GLU 124 Cb 0.41 0.58 -0.12 0.00 -0.57 0.00 0.00 31.44 31.73 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 -2.29 2.89 0.14 3.49 2.02 -1.26 -2.44 118.70 121.24 1rfa s GLU 125 Ca 0.08 -0.60 0.07 0.00 0.02 0.00 0.00 54.97 54.54 1rfa s GLU 125 Cb 0.00 -2.58 -0.04 0.00 0.10 0.00 0.00 34.13 31.62 1rfa s GLU 125 CO 0.06 0.54 -0.06 -0.51 0.02 0.00 0.00 175.26 175.31 1rfa s LEU 126 N -0.48 3.17 0.07 1.80 1.43 0.28 -3.19 118.68 121.75 1rfa s LEU 126 Ca 0.07 -0.39 0.02 0.00 -1.03 0.00 0.00 54.13 52.79 1rfa s LEU 126 Cb -0.12 -1.90 -0.03 0.00 0.03 0.00 0.00 46.19 44.17 1rfa s LEU 126 CO 0.02 0.14 -0.07 -1.58 0.23 0.00 0.00 176.35 175.08 1rfa s GLN 127 N -2.55 0.66 0.05 1.70 0.74 -0.21 -0.36 119.66 119.68 1rfa s GLN 127 Ca 0.24 -1.00 0.08 0.00 0.05 0.00 0.00 55.36 54.74 1rfa s GLN 127 Cb -0.10 -0.25 -0.03 0.00 1.10 0.00 0.00 33.01 33.73 1rfa s GLN 127 CO 0.16 0.02 -0.23 0.08 -0.55 0.00 0.00 175.29 174.77 1rfa s VAL 128 N -2.32 1.88 0.00 1.34 1.01 -0.38 0.29 120.40 122.22 1rfa s VAL 128 Ca -0.01 -1.30 0.00 0.00 0.00 0.00 0.00 61.98 60.67 1rfa s VAL 128 Cb -0.04 -1.63 0.00 0.00 0.00 0.00 0.00 36.38 34.72 1rfa s VAL 128 CO -0.02 0.26 0.00 -0.67 0.00 0.00 0.00 175.10 174.68 1rfa n ASP 129 N 1.77 0.24 -4.86 3.32 -0.08 0.34 -3.18 116.55 114.11 1rfa n ASP 129 Ca -0.17 -0.98 -0.29 0.00 -1.51 0.00 0.00 54.79 51.83 1rfa n ASP 129 Cb 0.53 0.00 0.09 0.00 2.34 0.00 0.00 41.12 44.08 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 -1.86 2.90 0.06 -0.67 -0.71 -1.26 -0.43 117.98 115.99 1rfa s PHE 130 Ca 0.00 0.88 -0.30 0.00 -1.04 0.00 0.00 56.93 56.46 1rfa s PHE 130 Cb 0.00 -3.35 -0.09 0.00 -1.21 0.00 0.00 43.02 38.38 1rfa s PHE 130 CO 0.00 -1.81 1.78 -0.51 -1.34 0.00 0.00 175.22 173.33 1rfa s LEU 131 N -5.68 4.39 0.00 -1.99 1.43 -1.25 -3.17 118.68 112.41 1rfa s LEU 131 Ca 0.62 2.57 0.31 0.00 -1.03 0.00 0.00 54.13 56.59 1rfa s LEU 131 Cb -0.12 -3.55 1.70 0.00 0.03 0.00 0.00 46.19 44.24 1rfa s LEU 131 CO 0.51 -0.97 2.11 -0.90 0.23 0.00 0.00 176.35 177.34