#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 0.17 -4.03 -3.46 5.15 -1.26 -4.78 115.26 107.05 1rfa n ASN 56 Ca 0.00 -1.83 -0.17 0.00 -0.60 0.00 0.00 54.58 51.97 1rfa n ASN 56 Cb 0.00 -0.12 -0.14 0.00 -0.53 0.00 0.00 39.78 38.99 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 0.68 0.04 -0.44 -4.23 -1.26 -2.88 115.64 107.55 1rfa s THR 57 Ca 0.11 -0.53 -0.02 0.00 -1.18 0.00 0.00 61.69 60.07 1rfa s THR 57 Cb 0.13 -0.60 -0.03 0.00 1.34 0.00 0.00 72.50 73.34 1rfa s THR 57 CO -0.06 0.07 0.00 -0.63 -0.54 0.00 0.00 174.62 173.47 1rfa s ILE 58 N -0.45 0.17 -0.13 2.99 1.01 -0.55 -0.02 121.20 124.22 1rfa s ILE 58 Ca 0.01 -1.39 -0.02 0.00 0.00 0.00 0.00 60.65 59.25 1rfa s ILE 58 Cb -0.05 -1.04 -0.03 0.00 0.01 0.00 0.00 42.46 41.36 1rfa s ILE 58 CO 0.00 -0.77 -0.05 -0.13 0.00 0.00 0.00 174.94 173.99 1rfa s ARG 59 N -2.97 3.41 -0.32 2.79 0.52 -1.18 -0.19 118.95 121.00 1rfa s ARG 59 Ca -0.02 -0.53 -0.06 0.00 -0.52 0.00 0.00 55.73 54.60 1rfa s ARG 59 Cb 0.01 -2.81 0.03 0.00 0.52 0.00 0.00 34.95 32.70 1rfa s ARG 59 CO -0.06 0.36 0.08 0.08 0.02 0.00 0.00 175.30 175.78 1rfa s VAL 60 N 0.02 3.69 0.18 3.52 1.01 0.13 0.13 120.40 129.08 1rfa s VAL 60 Ca -0.00 -1.06 -0.14 0.00 0.00 0.00 0.00 61.98 60.77 1rfa s VAL 60 Cb -0.13 -3.05 -0.07 0.00 0.00 0.00 0.00 36.38 33.13 1rfa s VAL 60 CO 0.03 -0.10 0.58 -0.36 0.00 0.00 0.00 175.10 175.25 1rfa s PHE 61 N 1.40 3.57 0.62 5.22 0.40 -0.72 -1.92 117.98 126.57 1rfa s PHE 61 Ca -0.01 1.08 -0.10 0.00 -0.60 0.00 0.00 56.93 57.30 1rfa s PHE 61 Cb -0.19 -2.39 -0.02 0.00 0.51 0.00 0.00 43.02 40.92 1rfa s PHE 61 CO 0.02 0.38 1.01 -0.51 0.70 0.00 0.00 175.22 176.82 1rfa s LEU 62 N -2.13 3.19 -0.70 -0.37 2.01 0.44 -3.18 118.68 117.94 1rfa s LEU 62 Ca 0.41 1.25 -0.25 0.00 0.01 0.00 0.00 54.13 55.55 1rfa s LEU 62 Cb -0.14 -4.22 0.04 0.00 0.01 0.00 0.00 46.19 41.88 1rfa s LEU 62 CO 0.20 -0.96 1.16 -2.84 1.01 0.00 0.00 176.35 174.91 1rfa s PRO 63 N -5.16 3.17 0.00 1.29 0.02 -1.26 -2.92 135.00 130.13 1rfa s PRO 63 Ca 0.55 -0.45 0.00 0.00 0.02 0.00 0.00 61.00 61.12 1rfa s PRO 63 Cb -0.11 -4.19 0.00 0.00 0.02 0.00 0.00 34.50 30.22 1rfa s PRO 63 CO 0.52 -2.01 0.00 0.09 -0.33 0.00 0.00 177.00 175.27 1rfa n ASN 64 N 8.73 -1.78 0.00 2.53 3.02 -1.26 -4.92 115.26 121.59 1rfa n ASN 64 Ca 0.01 0.00 0.00 0.00 -0.03 0.00 0.00 54.58 54.56 1rfa n ASN 64 Cb 0.48 -0.30 0.00 0.00 -0.61 0.00 0.00 39.78 39.35 1rfa n ASN 64 CO 0.00 0.00 0.00 0.29 -2.62 0.00 0.00 177.26 174.93 1rfa n LYS 65 N -2.59 0.00 -0.50 3.52 4.01 -1.15 -5.17 118.16 116.28 1rfa n LYS 65 Ca 0.00 0.00 0.00 0.00 -0.51 0.00 0.00 58.31 57.80 1rfa n LYS 65 Cb 0.00 0.00 0.00 0.00 -0.51 0.00 0.00 35.03 34.52 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 0.00 3.25 -3.59 1.97 1.13 -1.26 -4.75 117.38 114.13 1rfa n GLN 66 Ca 0.00 0.00 -0.08 0.00 -1.94 0.00 0.00 57.00 54.98 1rfa n GLN 66 Cb 0.00 0.00 -0.02 0.00 0.11 0.00 0.00 30.24 30.33 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 0.45 1.11 0.06 -1.09 3.03 -1.26 0.17 118.95 121.41 1rfa s ARG 67 Ca 0.00 -0.50 -0.28 0.00 2.03 0.00 0.00 55.73 56.98 1rfa s ARG 67 Cb 0.00 0.45 0.10 0.00 -1.03 0.00 0.00 34.95 34.47 1rfa s ARG 67 CO 0.00 -0.49 1.14 -0.08 -1.13 0.00 0.00 175.30 174.73 1rfa s THR 68 N -3.37 0.00 0.01 4.99 -1.32 -0.81 -4.95 115.64 110.20 1rfa s THR 68 Ca 0.07 -0.42 -0.01 0.00 -1.21 0.00 0.00 61.69 60.12 1rfa s THR 68 Cb -0.02 -1.98 -0.04 0.00 -1.51 0.00 0.00 72.50 68.95 1rfa s THR 68 CO -0.05 0.00 0.11 0.54 -2.21 0.00 0.00 174.62 173.01 1rfa s VAL 69 N -2.82 4.93 0.23 5.08 0.11 -1.26 0.18 120.40 126.85 1rfa s VAL 69 Ca 0.13 -0.39 0.02 0.00 -2.93 0.00 0.00 61.98 58.82 1rfa s VAL 69 Cb 0.02 -3.29 -0.05 0.00 -1.53 0.00 0.00 36.38 31.53 1rfa s VAL 69 CO -0.01 0.30 0.05 0.68 -3.33 0.00 0.00 175.10 172.79 1rfa s VAL 70 N -1.27 0.73 0.14 2.04 -7.23 0.73 -4.91 120.40 110.63 1rfa s VAL 70 Ca 0.25 -2.00 0.10 0.00 -1.81 0.00 0.00 61.98 58.53 1rfa s VAL 70 Cb -0.12 -2.44 -0.04 0.00 0.56 0.00 0.00 36.38 34.34 1rfa s VAL 70 CO 0.17 -0.21 -0.25 0.20 -0.31 0.00 0.00 175.10 174.71 1rfa s ASN 71 N -3.28 3.16 -0.01 4.85 0.01 -1.26 -1.48 114.94 116.93 1rfa s ASN 71 Ca 0.32 -0.77 -0.02 0.00 -0.71 0.00 0.00 52.86 51.68 1rfa s ASN 71 Cb 0.07 -0.21 -0.04 0.00 0.41 0.00 0.00 41.25 41.48 1rfa s ASN 71 CO 0.10 0.13 0.13 0.54 -1.51 0.00 0.00 177.10 176.50 1rfa s VAL 72 N -1.25 5.10 0.00 1.60 0.11 -1.14 -4.98 120.40 119.84 1rfa s VAL 72 Ca 0.14 -0.27 0.00 0.00 -2.93 0.00 0.00 61.98 58.92 1rfa s VAL 72 Cb -0.09 -3.36 0.00 0.00 -1.53 0.00 0.00 36.38 31.40 1rfa s VAL 72 CO 0.06 0.34 0.00 -1.14 -3.33 0.00 0.00 175.10 171.03 1rfa n ARG 73 N 1.07 1.34 -2.68 1.54 0.63 -1.26 -4.98 116.66 112.31 1rfa n ARG 73 Ca -0.12 0.00 -0.42 0.00 -0.92 0.00 0.00 57.85 56.39 1rfa n ARG 73 Cb 0.53 0.00 -0.03 0.00 0.45 0.00 0.00 32.46 33.40 1rfa n ARG 73 CO 0.00 0.00 0.00 -0.80 -2.51 0.00 0.00 177.63 174.32 1rfa s ASN 74 N -1.00 6.22 0.00 6.15 -0.87 -1.26 -3.34 114.94 120.84 1rfa s ASN 74 Ca 0.00 -0.53 0.00 0.00 -1.57 0.00 0.00 52.86 50.76 1rfa s ASN 74 Cb 0.00 -2.50 0.00 0.00 -0.02 0.00 0.00 41.25 38.73 1rfa s ASN 74 CO 0.00 -1.60 0.00 0.61 -2.57 0.00 0.00 177.10 173.54 1rfa n GLY 75 N 5.29 0.98 3.86 0.66 0.00 -1.26 -5.05 105.19 109.68 1rfa n GLY 75 Ca 0.02 -0.46 -0.32 0.00 0.00 0.00 0.00 46.02 45.25 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 -3.00 3.91 0.37 1.61 -1.94 -1.21 -5.07 119.30 113.97 1rfa s MET 76 Ca 0.00 0.50 0.08 0.00 -1.71 0.00 0.00 55.69 54.55 1rfa s MET 76 Cb 0.00 -2.52 -0.03 0.00 2.01 0.00 0.00 34.83 34.30 1rfa s MET 76 CO 0.00 0.21 0.32 -1.12 -0.01 0.00 0.00 175.02 174.42 1rfa s SER 77 N -2.35 5.13 0.14 3.03 0.01 -1.26 -4.20 113.70 114.19 1rfa s SER 77 Ca 0.51 -0.63 -0.22 0.00 1.31 0.00 0.00 55.95 56.92 1rfa s SER 77 Cb -0.11 -0.77 -0.00 0.00 0.21 0.00 0.00 66.02 65.35 1rfa s SER 77 CO 0.20 -0.49 1.66 -0.07 0.41 0.00 0.00 173.24 174.95 1rfa h LEU 78 N 1.17 -0.50 0.00 2.44 -0.00 -1.30 1.88 115.31 119.01 1rfa h LEU 78 Ca -0.43 0.10 0.00 0.00 -0.00 0.00 0.00 57.88 57.55 1rfa h LEU 78 Cb 1.26 0.24 0.00 0.00 -0.00 0.00 0.00 40.66 42.16 1rfa h LEU 78 CO 0.58 -0.20 0.00 1.41 -0.00 0.00 0.00 178.44 180.23 1rfa n HIS 79 N -5.31 0.00 -0.01 1.13 8.25 0.13 0.13 115.22 119.53 1rfa n HIS 79 Ca -0.02 0.00 0.07 0.00 -0.26 0.00 0.00 57.72 57.51 1rfa n HIS 79 Cb 0.22 -0.48 -0.14 0.00 1.12 0.00 0.00 29.99 30.72 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 -1.48 0.98 -0.03 0.41 8.00 0.11 -3.77 116.55 120.78 1rfa n ASP 80 Ca 0.07 0.00 0.05 0.00 0.71 0.00 0.00 54.79 55.62 1rfa n ASP 80 Cb 0.30 1.72 -0.14 0.00 -0.02 0.00 0.00 41.12 42.99 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 -2.26 2.71 0.33 0.00 7.99 0.34 -3.04 117.00 123.07 1rfa n LEU 82 Ca -0.10 -0.09 0.21 0.00 -0.01 0.00 0.00 56.01 56.03 1rfa n LEU 82 Cb 0.63 -0.83 1.12 0.00 -0.11 0.00 0.00 43.42 44.23 1rfa n LEU 82 CO 0.38 0.89 1.17 -0.03 -1.51 0.00 0.00 177.39 178.30 1rfa h MET 83 N 0.01 0.00 0.20 3.23 4.05 -1.65 1.00 114.93 121.77 1rfa h MET 83 Ca -0.56 0.00 -0.33 0.00 -0.28 0.00 0.00 59.70 58.54 1rfa h MET 83 Cb 1.94 0.00 0.02 0.00 -0.80 0.00 0.00 31.60 32.76 1rfa h MET 83 CO -0.06 0.00 -1.51 -0.22 0.23 0.00 0.00 176.91 175.35 1rfa h LYS 84 N 0.00 0.43 -0.20 0.39 3.64 -1.65 -1.79 116.57 117.38 1rfa h LYS 84 Ca 0.00 -0.73 -0.11 0.00 -1.27 0.00 0.00 60.65 58.55 1rfa h LYS 84 Cb 0.08 0.27 -0.00 0.00 -0.41 0.00 0.00 32.23 32.17 1rfa h LYS 84 CO -0.00 1.33 -0.31 0.00 -2.27 0.00 0.00 179.45 178.21 1rfa h ALA 85 N 0.26 0.31 0.00 5.00 0.00 0.22 -2.98 119.26 122.07 1rfa h ALA 85 Ca -0.26 -0.41 0.00 0.00 0.00 0.00 0.00 54.91 54.24 1rfa h ALA 85 Cb 2.10 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 19.84 1rfa h ALA 85 CO 0.23 0.34 -0.83 -0.07 0.00 0.00 0.00 179.25 178.92 1rfa h LEU 86 N 0.25 0.00 -0.62 0.00 3.38 0.56 -2.98 115.31 115.90 1rfa h LEU 86 Ca 0.02 -0.02 0.08 0.00 0.09 0.00 0.00 57.88 58.05 1rfa h LEU 86 Cb 0.89 0.00 -0.06 0.00 0.09 0.00 0.00 40.66 41.58 1rfa h LEU 86 CO 0.07 0.01 0.27 0.50 0.09 0.00 0.00 178.44 179.39 1rfa h LYS 87 N 0.00 0.48 0.00 1.13 3.11 -1.28 1.19 116.57 121.20 1rfa h LYS 87 Ca 0.00 -0.03 -0.01 0.00 -2.81 0.00 0.00 60.65 57.80 1rfa h LYS 87 Cb 0.98 -0.11 -0.00 0.00 -1.00 0.00 0.00 32.23 32.10 1rfa h LYS 87 CO 0.00 0.32 -0.04 0.28 -2.81 0.00 0.00 179.45 177.20 1rfa h VAL 88 N 0.49 0.20 0.00 2.00 2.07 -1.37 -2.85 116.25 116.80 1rfa h VAL 88 Ca 0.30 -0.33 -0.35 0.00 0.82 0.00 0.00 66.70 67.13 1rfa h VAL 88 Cb 0.31 1.27 -0.06 0.00 -1.52 0.00 0.00 31.29 31.29 1rfa h VAL 88 CO -0.26 0.04 -2.33 0.54 0.02 0.00 0.00 177.57 175.59 1rfa n ARG 89 N -3.29 0.75 0.00 1.57 1.74 -0.36 -5.00 116.66 112.07 1rfa n ARG 89 Ca -0.02 0.08 0.00 0.00 -0.77 0.00 0.00 57.85 57.14 1rfa n ARG 89 Cb 0.20 -1.48 0.00 0.00 -1.02 0.00 0.00 32.46 30.16 1rfa n ARG 89 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1rfa n GLY 90 N 2.15 1.54 3.71 -0.13 0.00 0.38 -5.09 105.19 107.76 1rfa n GLY 90 Ca -0.37 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.40 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 3.13 0.00 0.99 1.43 0.51 -5.01 118.68 119.73 1rfa s LEU 91 Ca 0.00 -0.97 0.03 0.00 -1.03 0.00 0.00 54.13 52.16 1rfa s LEU 91 Cb 0.00 -1.51 -0.03 0.00 0.03 0.00 0.00 46.19 44.67 1rfa s LEU 91 CO 0.00 -0.40 -0.06 -1.10 0.23 0.00 0.00 176.35 175.02 1rfa s GLN 92 N -3.85 2.59 -0.04 1.70 -0.21 -1.26 -4.42 119.66 114.17 1rfa s GLN 92 Ca 0.39 -0.70 0.12 0.00 0.02 0.00 0.00 55.36 55.19 1rfa s GLN 92 Cb 0.01 -2.53 -0.18 0.00 1.00 0.00 0.00 33.01 31.31 1rfa s GLN 92 CO 0.22 0.61 0.21 -0.35 -2.12 0.00 0.00 175.29 173.86 1rfa n PRO 93 N 1.54 0.82 0.21 2.91 -0.04 -1.26 -4.48 135.00 134.71 1rfa n PRO 93 Ca -0.15 -0.09 0.15 0.00 -0.04 0.00 0.00 63.50 63.37 1rfa n PRO 93 Cb 0.53 -1.30 0.51 0.00 -0.04 0.00 0.00 33.50 33.20 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 -0.56 0.54 3.07 -1.99 -0.21 114.58 115.43 1rfa h GLU 94 Ca -0.08 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 58.78 1rfa h GLU 94 Cb 0.86 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.77 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 -3.25 2.21 0.62 0.00 0.00 -0.04 -4.46 121.76 116.84 1rfa s ALA 97 Ca 0.36 -1.09 -0.04 0.00 0.00 0.00 0.00 51.96 51.19 1rfa s ALA 97 Cb 0.08 -0.62 0.04 0.00 0.00 0.00 0.00 23.12 22.62 1rfa s ALA 97 CO 0.15 0.50 0.90 0.08 0.00 0.00 0.00 175.76 177.39 1rfa s VAL 98 N -0.49 2.77 0.16 0.00 1.01 -1.26 0.33 120.40 122.92 1rfa s VAL 98 Ca 0.06 -0.34 -0.21 0.00 0.00 0.00 0.00 61.98 61.50 1rfa s VAL 98 Cb -0.11 -3.12 0.06 0.00 0.00 0.00 0.00 36.38 33.20 1rfa s VAL 98 CO 0.00 -0.12 0.55 -0.36 0.00 0.00 0.00 175.10 175.18 1rfa s PHE 99 N -3.02 -0.42 -0.02 5.22 0.40 0.06 -2.08 117.98 118.12 1rfa s PHE 99 Ca 0.57 0.16 0.02 0.00 -0.60 0.00 0.00 56.93 57.09 1rfa s PHE 99 Cb -0.11 0.48 -0.03 0.00 0.51 0.00 0.00 43.02 43.87 1rfa s PHE 99 CO 0.43 -0.83 -0.06 0.50 0.70 0.00 0.00 175.22 175.96 1rfa s ARG 100 N -3.78 2.66 0.97 0.44 3.52 0.26 -1.71 118.95 121.31 1rfa s ARG 100 Ca 0.02 -0.64 -0.14 0.00 -0.13 0.00 0.00 55.73 54.84 1rfa s ARG 100 Cb -0.00 -2.56 0.18 0.00 -1.56 0.00 0.00 34.95 31.00 1rfa s ARG 100 CO -0.11 0.63 1.18 -0.51 -0.81 0.00 0.00 175.30 175.67 1rfa s LEU 101 N -1.21 1.95 -0.50 -0.88 1.43 -0.75 -0.05 118.68 118.68 1rfa s LEU 101 Ca 0.16 0.74 -0.27 0.00 -1.03 0.00 0.00 54.13 53.73 1rfa s LEU 101 Cb -0.11 -2.90 0.03 0.00 0.03 0.00 0.00 46.19 43.24 1rfa s LEU 101 CO 0.06 -2.85 1.05 -1.48 0.23 0.00 0.00 176.35 173.35 1rfa s LEU 102 N -6.14 3.80 0.00 1.79 2.34 -1.26 -4.54 118.68 114.67 1rfa s LEU 102 Ca 0.67 0.16 0.03 0.00 0.06 0.00 0.00 54.13 55.05 1rfa s LEU 102 Cb -0.11 -3.25 -0.03 0.00 -0.56 0.00 0.00 46.19 42.24 1rfa s LEU 102 CO 0.53 -1.22 0.17 1.41 -1.06 0.00 0.00 176.35 176.18 1rfa n HIS 103 N 7.67 0.00 -2.11 3.48 8.25 -1.26 -4.63 115.22 126.63 1rfa n HIS 103 Ca 0.08 0.00 0.01 0.00 -0.26 0.00 0.00 57.72 57.54 1rfa n HIS 103 Cb 0.49 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.60 1rfa n HIS 103 CO 0.00 0.00 0.00 0.39 0.64 0.00 0.00 176.34 177.37 1rfa n GLU 104 N -0.96 0.00 -4.33 -0.41 4.71 -1.26 -5.10 120.64 113.29 1rfa n GLU 104 Ca 0.01 -1.08 -0.17 0.00 -0.01 0.00 0.00 57.16 55.91 1rfa n GLU 104 Cb 0.05 -0.27 -0.10 0.00 -1.01 0.00 0.00 31.44 30.10 1rfa n GLU 104 CO 0.00 0.00 0.00 -1.01 0.09 0.00 0.00 177.13 176.21 1rfa s HIS 105 N 0.00 1.58 -0.08 -0.32 0.09 -1.26 -5.15 115.29 110.15 1rfa s HIS 105 Ca 0.07 -1.18 0.00 0.00 -0.00 0.00 0.00 55.06 53.95 1rfa s HIS 105 Cb 0.08 -0.93 0.02 0.00 -0.00 0.00 0.00 32.58 31.76 1rfa s HIS 105 CO -0.04 -0.33 -0.07 0.21 -0.00 0.00 0.00 174.74 174.52 1rfa s LYS 106 N -4.00 1.25 0.00 1.40 2.47 -1.26 -4.82 119.74 114.78 1rfa s LYS 106 Ca 0.37 -0.20 0.00 0.00 -1.56 0.00 0.00 55.97 54.59 1rfa s LYS 106 Cb 0.08 -1.27 0.00 0.00 -1.46 0.00 0.00 37.83 35.18 1rfa s LYS 106 CO 0.14 -0.16 0.00 0.41 0.16 0.00 0.00 175.35 175.90 1rfa n GLY 107 N 4.50 2.87 0.00 5.54 0.00 -1.26 -4.90 105.19 111.93 1rfa n GLY 107 Ca -0.17 -0.73 0.00 0.00 0.00 0.00 0.00 46.02 45.12 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 3.63 -3.99 1.61 4.76 -1.26 -5.08 118.16 117.83 1rfa n LYS 108 Ca 0.00 0.00 -0.10 0.00 -2.87 0.00 0.00 58.31 55.34 1rfa n LYS 108 Cb 0.00 0.00 -0.06 0.00 -1.84 0.00 0.00 35.03 33.13 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 3.58 1.34 -0.26 1.97 1.02 -1.26 -4.14 119.74 121.99 1rfa s LYS 109 Ca 0.00 -1.24 -0.11 0.00 0.02 0.00 0.00 55.97 54.64 1rfa s LYS 109 Cb 0.00 0.41 -0.05 0.00 -0.52 0.00 0.00 37.83 37.67 1rfa s LYS 109 CO 0.00 -0.52 0.19 0.00 -0.92 0.00 0.00 175.35 174.09 1rfa s ALA 110 N -4.00 3.56 0.13 5.17 0.00 0.93 -4.93 121.76 122.62 1rfa s ALA 110 Ca 0.21 -1.00 -0.10 0.00 0.00 0.00 0.00 51.96 51.07 1rfa s ALA 110 Cb 0.02 -2.44 -0.06 0.00 0.00 0.00 0.00 23.12 20.64 1rfa s ALA 110 CO 0.05 -0.43 0.46 0.50 0.00 0.00 0.00 175.76 176.34 1rfa s ARG 111 N 1.52 3.79 0.04 0.00 3.00 -1.26 0.89 118.95 126.93 1rfa s ARG 111 Ca 0.08 0.22 0.00 0.00 -1.00 0.00 0.00 55.73 55.03 1rfa s ARG 111 Cb -0.15 -2.89 0.00 0.00 0.00 0.00 0.00 34.95 31.91 1rfa s ARG 111 CO 0.09 0.48 0.01 1.28 0.00 0.00 0.00 175.30 177.16 1rfa n LEU 112 N 0.56 0.00 -4.85 -0.88 4.77 -0.88 -4.88 117.00 110.84 1rfa n LEU 112 Ca -0.05 -0.25 -0.21 0.00 -0.03 0.00 0.00 56.01 55.46 1rfa n LEU 112 Cb 0.52 0.02 -0.04 0.00 -2.33 0.00 0.00 43.42 41.59 1rfa n LEU 112 CO 0.44 -0.10 -0.06 -0.62 -1.33 0.00 0.00 177.39 175.72 1rfa s ASP 113 N -1.24 5.12 0.00 -1.43 2.15 -1.26 -4.73 116.67 115.28 1rfa s ASP 113 Ca 0.01 -0.63 0.26 0.00 0.43 0.00 0.00 52.55 52.61 1rfa s ASP 113 Cb -0.00 -0.79 0.59 0.00 -0.30 0.00 0.00 42.92 42.42 1rfa s ASP 113 CO 0.00 -0.47 1.47 0.79 -0.17 0.00 0.00 175.17 176.79 1rfa n TRP 114 N -1.42 0.00 -1.26 -5.34 5.03 -1.26 -3.16 117.44 110.03 1rfa n TRP 114 Ca 0.00 0.00 0.03 0.00 3.03 0.00 0.00 57.50 60.57 1rfa n TRP 114 Cb 0.61 -0.05 0.21 0.00 -1.03 0.00 0.00 31.31 31.04 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 -0.11 2.79 -4.77 -0.99 5.15 -1.26 0.18 115.26 116.26 1rfa n ASN 115 Ca 0.13 -3.44 -0.39 0.00 -0.60 0.00 0.00 54.58 50.29 1rfa n ASN 115 Cb 0.40 -0.56 -0.04 0.00 -0.53 0.00 0.00 39.78 39.06 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 -3.05 3.52 -0.81 -0.44 2.01 -1.19 -4.40 115.64 111.29 1rfa s THR 116 Ca 0.41 1.35 -0.25 0.00 0.31 0.00 0.00 61.69 63.50 1rfa s THR 116 Cb 0.36 -3.79 -0.01 0.00 0.01 0.00 0.00 72.50 69.07 1rfa s THR 116 CO 0.02 0.19 1.72 -0.62 -0.69 0.00 0.00 174.62 175.24 1rfa s ASP 117 N -1.17 5.60 0.58 3.53 2.15 -1.26 -1.44 116.67 124.66 1rfa s ASP 117 Ca 0.51 -0.46 0.38 0.00 0.43 0.00 0.00 52.55 53.41 1rfa s ASP 117 Cb -0.28 -2.55 1.90 0.00 -0.30 0.00 0.00 42.92 41.69 1rfa s ASP 117 CO 0.36 -2.26 2.15 0.00 -0.17 0.00 0.00 175.17 175.25 1rfa h ALA 118 N 11.96 1.00 0.00 3.66 0.00 -1.90 0.45 119.26 134.43 1rfa h ALA 118 Ca -0.06 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.85 1rfa h ALA 118 Cb 1.06 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.85 1rfa h ALA 118 CO 1.26 0.00 0.00 0.00 0.00 0.00 0.00 179.25 180.51 1rfa n ALA 119 N -2.05 2.45 0.50 0.00 0.00 -1.26 -0.83 120.51 119.32 1rfa n ALA 119 Ca -0.01 -0.16 0.07 0.00 0.00 0.00 0.00 53.44 53.34 1rfa n ALA 119 Cb 0.16 -1.44 -0.09 0.00 0.00 0.00 0.00 19.45 18.08 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 -1.10 0.92 -1.49 0.00 7.64 0.16 -3.91 113.62 115.84 1rfa n SER 120 Ca 0.18 -0.62 0.08 0.00 1.01 0.00 0.00 58.87 59.52 1rfa n SER 120 Cb 0.13 1.18 0.34 0.00 -1.01 0.00 0.00 64.21 64.85 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 -1.51 4.88 -4.74 -3.43 7.99 -0.01 -4.98 117.00 115.19 1rfa n LEU 121 Ca 0.01 -2.78 -0.41 0.00 -0.01 0.00 0.00 56.01 52.83 1rfa n LEU 121 Cb 0.26 -0.60 -0.04 0.00 -0.11 0.00 0.00 43.42 42.93 1rfa n LEU 121 CO 0.29 0.70 0.80 -0.51 -1.51 0.00 0.00 177.39 177.16 1rfa s ILE 122 N -2.45 3.74 0.00 -0.08 1.10 -0.64 -2.95 121.20 119.91 1rfa s ILE 122 Ca 0.49 1.56 0.00 0.00 -0.51 0.00 0.00 60.65 62.19 1rfa s ILE 122 Cb 0.36 -4.00 0.00 0.00 0.15 0.00 0.00 42.46 38.97 1rfa s ILE 122 CO 0.16 0.30 0.00 0.61 -2.11 0.00 0.00 174.94 173.90 1rfa n GLY 123 N 1.81 0.76 0.00 1.50 0.00 0.96 -4.63 105.19 105.60 1rfa n GLY 123 Ca 0.02 -0.70 0.00 0.00 0.00 0.00 0.00 46.02 45.34 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 -0.71 0.77 -4.70 1.61 -0.58 -1.15 -5.03 120.64 110.85 1rfa n GLU 124 Ca 0.00 0.00 -0.25 0.00 -0.42 0.00 0.00 57.16 56.49 1rfa n GLU 124 Cb 0.45 0.00 -0.16 0.00 -0.57 0.00 0.00 31.44 31.15 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 0.38 1.82 0.29 3.49 2.02 -1.26 -3.08 118.70 122.36 1rfa s GLU 125 Ca 0.00 -0.50 0.09 0.00 0.02 0.00 0.00 54.97 54.57 1rfa s GLU 125 Cb 0.00 -1.50 -0.04 0.00 0.10 0.00 0.00 34.13 32.68 1rfa s GLU 125 CO 0.00 0.10 0.07 -0.51 0.02 0.00 0.00 175.26 174.94 1rfa s LEU 126 N 0.44 3.29 0.07 1.80 1.43 0.34 -1.81 118.68 124.25 1rfa s LEU 126 Ca -0.12 -0.65 -0.12 0.00 -1.03 0.00 0.00 54.13 52.22 1rfa s LEU 126 Cb -0.15 -1.79 0.01 0.00 0.03 0.00 0.00 46.19 44.29 1rfa s LEU 126 CO 0.04 -0.11 0.27 -1.58 0.23 0.00 0.00 176.35 175.20 1rfa s GLN 127 N -3.75 0.85 0.12 1.70 0.74 -0.69 -1.75 119.66 116.87 1rfa s GLN 127 Ca 0.34 -0.70 0.09 0.00 0.05 0.00 0.00 55.36 55.14 1rfa s GLN 127 Cb -0.05 0.36 -0.04 0.00 1.10 0.00 0.00 33.01 34.38 1rfa s GLN 127 CO 0.21 -0.28 -0.19 0.08 -0.55 0.00 0.00 175.29 174.57 1rfa s VAL 128 N -3.18 2.78 0.00 1.34 1.01 -1.19 -0.76 120.40 120.40 1rfa s VAL 128 Ca -0.00 -1.55 0.00 0.00 0.00 0.00 0.00 61.98 60.42 1rfa s VAL 128 Cb 0.01 -2.28 0.00 0.00 0.00 0.00 0.00 36.38 34.12 1rfa s VAL 128 CO -0.07 0.08 0.00 -0.67 0.00 0.00 0.00 175.10 174.44 1rfa n ASP 129 N 0.76 0.00 -4.60 3.32 -0.08 0.15 -4.01 116.55 112.10 1rfa n ASP 129 Ca -0.16 0.00 -0.28 0.00 -1.51 0.00 0.00 54.79 52.84 1rfa n ASP 129 Cb 0.53 0.00 0.20 0.00 2.34 0.00 0.00 41.12 44.19 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 -1.65 1.84 -0.65 -0.67 -0.12 -1.26 -0.86 117.98 114.62 1rfa s PHE 130 Ca 0.00 0.98 0.22 0.00 -0.05 0.00 0.00 56.93 58.08 1rfa s PHE 130 Cb 0.00 -3.24 0.89 0.00 -0.63 0.00 0.00 43.02 40.04 1rfa s PHE 130 CO 0.00 -3.22 1.67 1.47 -0.05 0.00 0.00 175.22 175.09 1rfa n LEU 131 N -4.41 0.50 0.00 -1.99 -0.00 -1.23 -1.39 117.00 108.49 1rfa n LEU 131 Ca 0.05 0.61 0.13 0.00 -0.00 0.00 0.00 56.01 56.80 1rfa n LEU 131 Cb 0.57 -0.53 0.78 0.00 -0.00 0.00 0.00 43.42 44.24 1rfa n LEU 131 CO 0.57 -0.43 0.95 0.47 -0.00 0.00 0.00 177.39 178.96