#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 0.42 -3.97 -3.46 5.15 -1.26 -4.84 115.26 107.30 1rfa n ASN 56 Ca 0.00 -1.94 -0.11 0.00 -0.60 0.00 0.00 54.58 51.93 1rfa n ASN 56 Cb 0.00 -0.20 -0.12 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 0.17 0.18 -0.44 -4.23 -1.26 -2.33 115.64 107.73 1rfa s THR 57 Ca 0.17 -0.73 -0.02 0.00 -1.18 0.00 0.00 61.69 59.94 1rfa s THR 57 Cb 0.20 -0.27 -0.04 0.00 1.34 0.00 0.00 72.50 73.73 1rfa s THR 57 CO -0.09 -0.35 0.12 -0.63 -0.54 0.00 0.00 174.62 173.13 1rfa s ILE 58 N -1.10 0.03 0.22 2.99 1.09 -0.75 0.15 121.20 123.83 1rfa s ILE 58 Ca -0.11 -1.94 0.07 0.00 -1.10 0.00 0.00 60.65 57.57 1rfa s ILE 58 Cb -0.08 -2.34 -0.04 0.00 -1.06 0.00 0.00 42.46 38.95 1rfa s ILE 58 CO -0.01 -0.15 0.07 -0.13 -0.10 0.00 0.00 174.94 174.63 1rfa s ARG 59 N -4.12 2.59 -0.18 2.79 3.00 -1.01 -0.36 118.95 121.67 1rfa s ARG 59 Ca 0.33 -1.13 -0.01 0.00 0.00 0.00 0.00 55.73 54.92 1rfa s ARG 59 Cb 0.07 -2.41 0.05 0.00 0.00 0.00 0.00 34.95 32.66 1rfa s ARG 59 CO 0.09 0.42 -0.02 0.08 0.00 0.00 0.00 175.30 175.87 1rfa s VAL 60 N -1.98 0.95 0.12 3.52 1.01 0.55 0.13 120.40 124.69 1rfa s VAL 60 Ca 0.30 -0.66 -0.12 0.00 0.00 0.00 0.00 61.98 61.50 1rfa s VAL 60 Cb -0.08 -1.25 -0.06 0.00 0.00 0.00 0.00 36.38 34.98 1rfa s VAL 60 CO 0.21 -0.01 0.47 -0.36 0.00 0.00 0.00 175.10 175.42 1rfa s PHE 61 N 1.68 3.58 0.81 5.22 0.40 0.76 -1.53 117.98 128.90 1rfa s PHE 61 Ca -0.01 0.91 -0.12 0.00 -0.60 0.00 0.00 56.93 57.11 1rfa s PHE 61 Cb -0.16 -2.25 0.08 0.00 0.51 0.00 0.00 43.02 41.19 1rfa s PHE 61 CO -0.07 0.46 1.16 -0.51 0.70 0.00 0.00 175.22 176.96 1rfa s LEU 62 N -2.00 2.49 -0.69 -0.37 2.01 0.20 -2.71 118.68 117.62 1rfa s LEU 62 Ca 0.36 0.88 -0.27 0.00 0.01 0.00 0.00 54.13 55.11 1rfa s LEU 62 Cb -0.14 -3.40 0.00 0.00 0.01 0.00 0.00 46.19 42.67 1rfa s LEU 62 CO 0.19 -1.92 1.60 -2.84 1.01 0.00 0.00 176.35 174.39 1rfa s PRO 63 N -5.49 2.90 -0.46 1.29 0.02 -1.23 -2.80 135.00 129.22 1rfa s PRO 63 Ca 0.62 0.15 0.00 0.00 0.02 0.00 0.00 61.00 61.79 1rfa s PRO 63 Cb -0.12 -4.35 0.00 0.00 0.02 0.00 0.00 34.50 30.05 1rfa s PRO 63 CO 0.50 -2.49 0.00 0.09 -0.33 0.00 0.00 177.00 174.77 1rfa n ASN 64 N 11.22 -3.35 0.00 2.53 3.02 -1.26 -4.84 115.26 122.59 1rfa n ASN 64 Ca 0.14 0.10 0.00 0.00 -0.03 0.00 0.00 54.58 54.79 1rfa n ASN 64 Cb 0.51 -1.43 0.00 0.00 -0.61 0.00 0.00 39.78 38.24 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 -2.69 0.00 -1.02 3.52 4.76 -1.12 -5.17 118.16 116.44 1rfa n LYS 65 Ca -0.05 0.00 0.00 0.00 -2.87 0.00 0.00 58.31 55.39 1rfa n LYS 65 Cb 0.20 0.00 0.00 0.00 -1.84 0.00 0.00 35.03 33.39 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 -0.18 1.79 -3.67 1.97 1.13 -1.26 -4.74 117.38 112.42 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 -1.00 1.46 -0.06 -1.09 3.03 -1.26 0.62 118.95 120.66 1rfa s ARG 67 Ca 0.00 -0.72 -0.31 0.00 2.03 0.00 0.00 55.73 56.73 1rfa s ARG 67 Cb 0.00 0.56 0.12 0.00 -1.03 0.00 0.00 34.95 34.60 1rfa s ARG 67 CO 0.00 -0.66 1.37 -0.08 -1.13 0.00 0.00 175.30 174.80 1rfa s THR 68 N -3.71 0.00 0.09 4.99 -1.32 -0.58 -4.90 115.64 110.21 1rfa s THR 68 Ca 0.07 -0.08 0.10 0.00 -1.21 0.00 0.00 61.69 60.57 1rfa s THR 68 Cb -0.03 -2.34 -0.04 0.00 -1.51 0.00 0.00 72.50 68.58 1rfa s THR 68 CO -0.02 0.00 -0.24 0.54 -2.21 0.00 0.00 174.62 172.70 1rfa s VAL 69 N -2.11 2.44 0.13 5.08 0.11 -1.26 -0.33 120.40 124.45 1rfa s VAL 69 Ca 0.20 -1.53 0.03 0.00 -2.93 0.00 0.00 61.98 57.75 1rfa s VAL 69 Cb 0.04 -2.05 -0.04 0.00 -1.53 0.00 0.00 36.38 32.80 1rfa s VAL 69 CO -0.04 0.20 -0.07 0.68 -3.33 0.00 0.00 175.10 172.53 1rfa s VAL 70 N -1.00 0.89 0.01 2.04 -7.23 0.52 -4.91 120.40 110.72 1rfa s VAL 70 Ca 0.14 -1.99 0.06 0.00 -1.81 0.00 0.00 61.98 58.38 1rfa s VAL 70 Cb -0.10 -1.81 -0.03 0.00 0.56 0.00 0.00 36.38 35.00 1rfa s VAL 70 CO 0.06 -0.77 -0.16 0.20 -0.31 0.00 0.00 175.10 174.12 1rfa s ASN 71 N -3.11 3.96 -0.01 4.85 0.01 -1.26 -1.81 114.94 117.57 1rfa s ASN 71 Ca 0.15 -0.33 -0.19 0.00 -0.71 0.00 0.00 52.86 51.78 1rfa s ASN 71 Cb 0.04 -0.73 -0.05 0.00 0.41 0.00 0.00 41.25 40.92 1rfa s ASN 71 CO -0.02 0.28 0.53 -0.69 -1.51 0.00 0.00 177.10 175.70 1rfa s VAL 72 N -0.89 4.95 0.47 1.60 1.01 -0.98 -4.99 120.40 121.57 1rfa s VAL 72 Ca 0.14 1.11 0.03 0.00 0.00 0.00 0.00 61.98 63.27 1rfa s VAL 72 Cb -0.11 -3.86 -0.04 0.00 0.00 0.00 0.00 36.38 32.37 1rfa s VAL 72 CO 0.05 0.45 0.01 -0.13 0.00 0.00 0.00 175.10 175.48 1rfa s ARG 73 N -0.36 2.11 -0.50 2.72 3.00 -1.26 -4.98 118.95 119.68 1rfa s ARG 73 Ca 0.28 -2.29 -0.29 0.00 0.00 0.00 0.00 55.73 53.43 1rfa s ARG 73 Cb -0.18 -1.58 0.03 0.00 0.00 0.00 0.00 34.95 33.23 1rfa s ARG 73 CO 0.15 -0.25 1.16 0.54 0.00 0.00 0.00 175.30 176.90 1rfa s ASN 74 N -3.82 6.58 0.00 0.23 4.22 -1.26 -2.05 114.94 118.84 1rfa s ASN 74 Ca 0.16 0.38 0.00 0.00 -2.14 0.00 0.00 52.86 51.27 1rfa s ASN 74 Cb 0.05 -2.55 0.00 0.00 1.28 0.00 0.00 41.25 40.03 1rfa s ASN 74 CO 0.09 -1.32 0.00 0.61 -2.04 0.00 0.00 177.10 174.43 1rfa n GLY 75 N 4.92 1.57 3.86 0.45 0.00 -1.26 -5.10 105.19 109.62 1rfa n GLY 75 Ca 0.11 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.81 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 3.92 -0.30 1.61 -1.94 -0.87 -4.92 119.30 116.80 1rfa s MET 76 Ca 0.00 0.53 -0.08 0.00 -1.71 0.00 0.00 55.69 54.42 1rfa s MET 76 Cb 0.00 -2.49 0.18 0.00 2.01 0.00 0.00 34.83 34.53 1rfa s MET 76 CO 0.00 0.18 0.92 -1.12 -0.01 0.00 0.00 175.02 174.99 1rfa s SER 77 N -2.40 -0.75 0.00 3.03 0.01 -1.26 -4.78 113.70 107.55 1rfa s SER 77 Ca 0.52 0.31 0.00 0.00 1.31 0.00 0.00 55.95 58.09 1rfa s SER 77 Cb -0.10 1.57 0.00 0.00 0.21 0.00 0.00 66.02 67.69 1rfa s SER 77 CO 0.20 -0.14 0.00 0.18 0.41 0.00 0.00 173.24 173.89 1rfa n LEU 78 N 5.37 0.00 0.23 2.44 7.99 -1.26 -2.94 117.00 128.83 1rfa n LEU 78 Ca -0.00 0.00 -0.16 0.00 -0.01 0.00 0.00 56.01 55.84 1rfa n LEU 78 Cb 0.54 0.00 -0.08 0.00 -0.11 0.00 0.00 43.42 43.77 1rfa n LEU 78 CO -0.09 0.00 0.61 0.45 -1.51 0.00 0.00 177.39 176.85 1rfa h HIS 79 N 0.00 -1.03 -0.00 -1.77 3.86 -1.78 1.55 115.15 115.97 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 0.40 0.00 0.00 1.06 0.00 0.00 27.41 28.87 1rfa h HIS 79 CO 0.00 -0.53 -0.04 -0.25 0.86 0.00 0.00 177.93 177.97 1rfa n ASP 80 N -5.48 0.53 -0.00 2.45 9.92 -1.15 0.62 116.55 123.44 1rfa n ASP 80 Ca -0.10 -0.91 0.09 0.00 -0.53 0.00 0.00 54.79 53.34 1rfa n ASP 80 Cb 0.38 -0.04 -0.12 0.00 -0.64 0.00 0.00 41.12 40.71 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 -1.64 0.52 -0.37 0.00 7.99 0.51 -4.21 117.00 119.79 1rfa n LEU 82 Ca 0.01 -0.01 0.33 0.00 -0.01 0.00 0.00 56.01 56.33 1rfa n LEU 82 Cb 0.34 0.09 0.66 0.00 -0.11 0.00 0.00 43.42 44.40 1rfa n LEU 82 CO 0.38 0.26 1.29 -0.03 -1.51 0.00 0.00 177.39 177.77 1rfa h MET 83 N 0.00 0.15 0.47 3.23 4.05 0.05 0.97 114.93 123.84 1rfa h MET 83 Ca -0.19 -0.01 -0.01 0.00 -0.28 0.00 0.00 59.70 59.20 1rfa h MET 83 Cb 1.41 -0.03 -0.02 0.00 -0.80 0.00 0.00 31.60 32.16 1rfa h MET 83 CO 0.00 0.10 -0.44 -0.22 0.23 0.00 0.00 176.91 176.58 1rfa h LYS 84 N 0.15 -0.87 -0.76 0.39 3.64 -1.73 0.50 116.57 117.89 1rfa h LYS 84 Ca 0.64 0.06 -0.01 0.00 -1.27 0.00 0.00 60.65 60.08 1rfa h LYS 84 Cb 2.16 0.20 -0.04 0.00 -0.41 0.00 0.00 32.23 34.14 1rfa h LYS 84 CO -0.17 -0.58 0.45 0.00 -2.27 0.00 0.00 179.45 176.88 1rfa h ALA 85 N -1.05 0.97 0.00 5.00 0.00 0.59 -1.77 119.26 123.00 1rfa h ALA 85 Ca -0.06 -0.09 0.00 0.00 0.00 0.00 0.00 54.91 54.76 1rfa h ALA 85 Cb 0.77 -0.30 0.00 0.00 0.00 0.00 0.00 17.79 18.26 1rfa h ALA 85 CO -0.04 0.44 -0.65 -0.07 0.00 0.00 0.00 179.25 178.93 1rfa h LEU 86 N 1.04 0.00 -0.44 0.00 3.38 -0.59 -2.89 115.31 115.80 1rfa h LEU 86 Ca 0.27 -0.12 -0.01 0.00 0.09 0.00 0.00 57.88 58.11 1rfa h LEU 86 Cb -0.02 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 40.70 1rfa h LEU 86 CO -0.05 0.06 0.24 0.50 0.09 0.00 0.00 178.44 179.28 1rfa h LYS 87 N 0.00 0.62 -0.39 1.13 3.11 0.84 1.45 116.57 123.32 1rfa h LYS 87 Ca 0.00 -0.07 0.08 0.00 -2.81 0.00 0.00 60.65 57.85 1rfa h LYS 87 Cb 0.85 -0.12 -0.02 0.00 -1.00 0.00 0.00 32.23 31.94 1rfa h LYS 87 CO 0.00 0.50 0.27 0.28 -2.81 0.00 0.00 179.45 177.68 1rfa h VAL 88 N 0.57 0.88 0.02 2.00 2.07 -1.17 -3.01 116.25 117.62 1rfa h VAL 88 Ca 0.15 -0.05 -0.38 0.00 0.82 0.00 0.00 66.70 67.25 1rfa h VAL 88 Cb 0.06 0.72 -0.06 0.00 -1.52 0.00 0.00 31.29 30.49 1rfa h VAL 88 CO -0.02 0.03 -2.36 0.54 0.02 0.00 0.00 177.57 175.77 1rfa n ARG 89 N -4.46 0.67 0.00 1.57 5.12 -0.77 -4.99 116.66 113.81 1rfa n ARG 89 Ca 0.06 0.14 0.00 0.00 -1.93 0.00 0.00 57.85 56.11 1rfa n ARG 89 Cb 0.35 -1.56 0.00 0.00 -1.16 0.00 0.00 32.46 30.10 1rfa n ARG 89 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 1rfa n GLY 90 N 2.08 1.60 3.74 -0.13 0.00 0.45 -5.08 105.19 107.84 1rfa n GLY 90 Ca -0.40 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.38 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 3.17 -0.07 0.99 1.43 0.16 -5.01 118.68 119.36 1rfa s LEU 91 Ca 0.00 -0.94 0.02 0.00 -1.03 0.00 0.00 54.13 52.18 1rfa s LEU 91 Cb 0.00 -1.58 -0.02 0.00 0.03 0.00 0.00 46.19 44.61 1rfa s LEU 91 CO 0.00 -0.44 -0.13 -1.10 0.23 0.00 0.00 176.35 174.91 1rfa s GLN 92 N -3.89 2.72 -0.01 1.70 -0.21 -1.26 -4.49 119.66 114.22 1rfa s GLN 92 Ca 0.40 -0.67 0.20 0.00 0.02 0.00 0.00 55.36 55.31 1rfa s GLN 92 Cb 0.01 -2.46 -0.25 0.00 1.00 0.00 0.00 33.01 31.31 1rfa s GLN 92 CO 0.23 0.55 0.73 -0.35 -2.12 0.00 0.00 175.29 174.33 1rfa n PRO 93 N 2.54 0.46 0.27 2.91 -0.04 -1.26 -4.26 135.00 135.61 1rfa n PRO 93 Ca -0.17 -0.05 0.17 0.00 -0.04 0.00 0.00 63.50 63.40 1rfa n PRO 93 Cb 0.52 -1.46 0.67 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 -0.20 0.54 3.07 -1.98 -1.53 114.58 114.48 1rfa h GLU 94 Ca 0.00 0.00 -0.04 0.00 -0.50 0.00 0.00 59.36 58.82 1rfa h GLU 94 Cb 0.61 0.00 -0.03 0.00 -0.84 0.00 0.00 28.75 28.49 1rfa h GLU 94 CO 0.00 0.00 -0.05 0.00 -1.40 0.00 0.00 179.01 177.56 1rfa s ALA 97 N -3.45 2.59 0.53 0.00 0.00 0.79 -4.51 121.76 117.72 1rfa s ALA 97 Ca 0.36 -0.99 0.04 0.00 0.00 0.00 0.00 51.96 51.37 1rfa s ALA 97 Cb 0.08 -0.92 0.04 0.00 0.00 0.00 0.00 23.12 22.32 1rfa s ALA 97 CO 0.15 0.53 0.74 0.08 0.00 0.00 0.00 175.76 177.26 1rfa s VAL 98 N -0.64 2.65 0.28 0.00 1.01 -1.26 0.91 120.40 123.35 1rfa s VAL 98 Ca 0.10 -0.80 -0.21 0.00 0.00 0.00 0.00 61.98 61.07 1rfa s VAL 98 Cb -0.11 -2.85 0.02 0.00 0.00 0.00 0.00 36.38 33.44 1rfa s VAL 98 CO 0.01 0.00 0.74 -0.36 0.00 0.00 0.00 175.10 175.49 1rfa s PHE 99 N -2.67 -0.17 0.02 5.22 0.40 0.13 -1.48 117.98 119.43 1rfa s PHE 99 Ca 0.58 -0.29 0.08 0.00 -0.60 0.00 0.00 56.93 56.70 1rfa s PHE 99 Cb -0.09 0.71 -0.03 0.00 0.51 0.00 0.00 43.02 44.13 1rfa s PHE 99 CO 0.37 -1.23 -0.24 0.50 0.70 0.00 0.00 175.22 175.32 1rfa s ARG 100 N -3.79 1.98 0.46 0.44 3.52 0.25 -1.94 118.95 119.87 1rfa s ARG 100 Ca 0.11 -1.01 -0.08 0.00 -0.13 0.00 0.00 55.73 54.63 1rfa s ARG 100 Cb -0.06 -2.06 0.11 0.00 -1.56 0.00 0.00 34.95 31.38 1rfa s ARG 100 CO 0.07 0.54 0.58 1.28 -0.81 0.00 0.00 175.30 176.96 1rfa n LEU 101 N 1.95 0.00 -4.52 -0.88 4.77 0.31 -0.64 117.00 118.00 1rfa n LEU 101 Ca -0.17 -0.64 -0.43 0.00 -0.03 0.00 0.00 56.01 54.75 1rfa n LEU 101 Cb 0.52 -0.46 -0.01 0.00 -2.33 0.00 0.00 43.42 41.14 1rfa n LEU 101 CO 0.24 -1.04 1.59 -1.48 -1.33 0.00 0.00 177.39 175.37 1rfa s LEU 102 N 0.00 4.40 0.00 2.23 -0.00 -1.26 -4.48 118.68 119.57 1rfa s LEU 102 Ca 0.34 -2.50 0.20 0.00 -0.00 0.00 0.00 54.13 52.17 1rfa s LEU 102 Cb -0.01 -2.49 -0.11 0.00 -0.00 0.00 0.00 46.19 43.58 1rfa s LEU 102 CO 0.24 -1.04 0.94 1.41 -0.00 0.00 0.00 176.35 177.90 1rfa n HIS 103 N 7.20 0.00 -2.14 3.48 8.25 -1.26 -4.13 115.22 126.61 1rfa n HIS 103 Ca 0.40 0.00 0.01 0.00 -0.26 0.00 0.00 57.72 57.87 1rfa n HIS 103 Cb 0.46 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.57 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 -0.74 0.00 -1.69 -0.41 4.71 -1.26 -5.10 120.64 116.16 1rfa n GLU 104 Ca 0.06 -1.19 0.00 0.00 -0.01 0.00 0.00 57.16 56.02 1rfa n GLU 104 Cb 0.37 -0.27 0.00 0.00 -1.01 0.00 0.00 31.44 30.53 1rfa n GLU 104 CO 0.00 0.00 0.00 0.72 0.09 0.00 0.00 177.13 177.94 1rfa n HIS 105 N 0.14 -0.01 0.04 -0.32 8.25 -1.26 -5.11 115.22 116.95 1rfa n HIS 105 Ca 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.46 1rfa n HIS 105 Cb 0.81 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.92 1rfa n HIS 105 CO 0.00 0.00 0.00 1.63 0.64 0.00 0.00 176.34 178.61 1rfa n LYS 106 N 0.00 0.00 -2.54 -0.41 4.76 -1.26 -4.85 118.16 113.86 1rfa n LYS 106 Ca 0.00 0.00 -0.19 0.00 -2.87 0.00 0.00 58.31 55.25 1rfa n LYS 106 Cb 0.00 -0.23 0.01 0.00 -1.84 0.00 0.00 35.03 32.97 1rfa n LYS 106 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 1rfa n GLY 107 N 3.05 4.11 3.41 0.72 0.00 -1.26 -4.90 105.19 110.32 1rfa n GLY 107 Ca 0.00 -2.12 -0.14 0.00 0.00 0.00 0.00 46.02 43.77 1rfa n GLY 107 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1rfa s LYS 108 N -3.39 0.62 -0.03 1.61 1.02 -1.26 -5.15 119.74 113.16 1rfa s LYS 108 Ca 0.39 0.68 0.01 0.00 0.02 0.00 0.00 55.97 57.08 1rfa s LYS 108 Cb 0.42 0.30 -0.03 0.00 -0.52 0.00 0.00 37.83 38.00 1rfa s LYS 108 CO -0.08 -0.08 -0.03 0.15 -0.92 0.00 0.00 175.35 174.39 1rfa s LYS 109 N 0.19 2.74 -0.06 1.68 1.02 -1.26 -4.17 119.74 119.89 1rfa s LYS 109 Ca -0.01 -0.60 -0.27 0.00 0.02 0.00 0.00 55.97 55.12 1rfa s LYS 109 Cb -0.04 -2.63 -0.03 0.00 -0.52 0.00 0.00 37.83 34.62 1rfa s LYS 109 CO 0.01 0.64 0.85 0.00 -0.92 0.00 0.00 175.35 175.93 1rfa s ALA 110 N -0.98 3.29 0.06 5.17 0.00 0.19 -4.87 121.76 124.63 1rfa s ALA 110 Ca 0.17 0.30 -0.05 0.00 0.00 0.00 0.00 51.96 52.38 1rfa s ALA 110 Cb -0.11 -3.18 -0.05 0.00 0.00 0.00 0.00 23.12 19.78 1rfa s ALA 110 CO 0.07 -0.26 0.29 0.50 0.00 0.00 0.00 175.76 176.36 1rfa s ARG 111 N 1.14 3.57 0.41 0.00 3.00 -1.26 0.86 118.95 126.66 1rfa s ARG 111 Ca 0.44 -0.15 0.07 0.00 -1.00 0.00 0.00 55.73 55.10 1rfa s ARG 111 Cb -0.19 -3.00 -0.06 0.00 0.00 0.00 0.00 34.95 31.70 1rfa s ARG 111 CO 0.21 0.59 0.11 -0.51 0.00 0.00 0.00 175.30 175.70 1rfa s LEU 112 N -2.17 3.01 0.59 -0.88 1.02 -0.55 -4.88 118.68 114.82 1rfa s LEU 112 Ca 0.33 -1.20 0.01 0.00 0.02 0.00 0.00 54.13 53.29 1rfa s LEU 112 Cb -0.13 -1.22 0.06 0.00 0.02 0.00 0.00 46.19 44.92 1rfa s LEU 112 CO 0.21 -0.51 0.83 -0.62 0.02 0.00 0.00 176.35 176.27 1rfa s ASP 113 N -3.83 5.03 0.00 2.29 2.15 -1.26 -4.53 116.67 116.52 1rfa s ASP 113 Ca 0.38 -0.17 0.22 0.00 0.43 0.00 0.00 52.55 53.42 1rfa s ASP 113 Cb 0.06 -0.57 0.53 0.00 -0.30 0.00 0.00 42.92 42.64 1rfa s ASP 113 CO 0.21 -1.33 1.46 0.79 -0.17 0.00 0.00 175.17 176.12 1rfa n TRP 114 N -2.45 0.67 -2.51 -5.34 5.03 -1.26 -3.63 117.44 107.94 1rfa n TRP 114 Ca 0.10 -0.33 -0.10 0.00 3.03 0.00 0.00 57.50 60.20 1rfa n TRP 114 Cb 0.60 0.00 0.04 0.00 -1.03 0.00 0.00 31.31 30.92 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 1.46 2.92 -0.02 -0.99 5.15 -1.26 -2.23 115.26 120.29 1rfa n ASN 115 Ca 0.21 -2.73 0.14 0.00 -0.60 0.00 0.00 54.58 51.59 1rfa n ASN 115 Cb 0.59 -0.43 0.61 0.00 -0.53 0.00 0.00 39.78 40.02 1rfa n ASN 115 CO 0.00 0.00 0.00 1.07 1.40 0.00 0.00 177.26 179.73 1rfa n THR 116 N -0.63 0.00 0.00 -0.44 5.66 -1.24 -4.87 114.28 112.76 1rfa n THR 116 Ca 0.22 -0.01 0.00 0.00 -3.05 0.00 0.00 64.05 61.21 1rfa n THR 116 Cb 0.86 -0.34 0.00 0.00 -1.55 0.00 0.00 70.33 69.30 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 -1.36 0.00 0.00 1.09 2.03 -1.26 -4.69 116.55 112.36 1rfa n ASP 117 Ca 0.10 0.00 0.00 0.00 0.52 0.00 0.00 54.79 55.41 1rfa n ASP 117 Cb 0.30 0.00 0.00 0.00 -0.72 0.00 0.00 41.12 40.70 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 0.00 0.00 1.07 -1.67 0.00 -1.26 -4.23 120.51 114.43 1rfa n ALA 118 Ca 0.00 0.00 0.12 0.00 0.00 0.00 0.00 53.44 53.56 1rfa n ALA 118 Cb 0.00 0.00 0.19 0.00 0.00 0.00 0.00 19.45 19.64 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 0.00 3.63 1.00 0.00 0.00 -1.26 -2.36 120.51 121.52 1rfa n ALA 119 Ca 0.00 -0.44 0.10 0.00 0.00 0.00 0.00 53.44 53.10 1rfa n ALA 119 Cb 0.00 -1.02 -0.09 0.00 0.00 0.00 0.00 19.45 18.33 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 -1.08 1.11 -1.11 0.00 7.64 -1.26 -3.63 113.62 115.29 1rfa n SER 120 Ca 0.08 -1.04 0.08 0.00 1.01 0.00 0.00 58.87 59.00 1rfa n SER 120 Cb 0.35 0.91 0.26 0.00 -1.01 0.00 0.00 64.21 64.73 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 -1.32 3.84 -4.74 -3.43 7.99 -1.04 -4.99 117.00 113.32 1rfa n LEU 121 Ca 0.05 -2.29 -0.41 0.00 -0.01 0.00 0.00 56.01 53.35 1rfa n LEU 121 Cb 0.35 -0.43 -0.03 0.00 -0.11 0.00 0.00 43.42 43.20 1rfa n LEU 121 CO 0.41 0.80 1.07 -0.51 -1.51 0.00 0.00 177.39 177.65 1rfa s ILE 122 N -1.53 2.91 0.00 -0.08 1.10 -0.99 -1.76 121.20 120.85 1rfa s ILE 122 Ca 0.40 0.73 0.00 0.00 -0.51 0.00 0.00 60.65 61.27 1rfa s ILE 122 Cb 0.24 -3.47 0.00 0.00 0.15 0.00 0.00 42.46 39.38 1rfa s ILE 122 CO 0.21 0.10 0.00 0.61 -2.11 0.00 0.00 174.94 173.75 1rfa n GLY 123 N 2.57 0.70 0.00 1.50 0.00 0.12 -4.68 105.19 105.40 1rfa n GLY 123 Ca 0.08 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.10 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 -2.08 3.65 -4.30 1.61 -0.58 -0.73 -4.99 120.64 113.23 1rfa n GLU 124 Ca 0.00 0.00 -0.19 0.00 -0.42 0.00 0.00 57.16 56.55 1rfa n GLU 124 Cb 0.00 0.00 -0.15 0.00 -0.57 0.00 0.00 31.44 30.72 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 1.85 0.79 0.45 3.49 2.02 -1.26 -2.40 118.70 123.62 1rfa s GLU 125 Ca 0.00 -0.25 0.06 0.00 0.02 0.00 0.00 54.97 54.80 1rfa s GLU 125 Cb 0.00 -0.76 -0.04 0.00 0.10 0.00 0.00 34.13 33.43 1rfa s GLU 125 CO 0.00 0.09 0.14 -0.51 0.02 0.00 0.00 175.26 175.01 1rfa s LEU 126 N 0.18 2.88 0.18 1.80 1.02 0.12 -0.53 118.68 124.32 1rfa s LEU 126 Ca -0.02 -1.26 -0.17 0.00 0.02 0.00 0.00 54.13 52.70 1rfa s LEU 126 Cb -0.07 -1.18 0.03 0.00 0.02 0.00 0.00 46.19 44.99 1rfa s LEU 126 CO 0.00 -0.65 0.49 -1.58 0.02 0.00 0.00 176.35 174.64 1rfa s GLN 127 N -3.91 1.30 0.19 1.70 0.74 -0.82 -0.17 119.66 118.69 1rfa s GLN 127 Ca 0.33 -0.82 0.10 0.00 0.05 0.00 0.00 55.36 55.03 1rfa s GLN 127 Cb 0.04 0.51 -0.04 0.00 1.10 0.00 0.00 33.01 34.61 1rfa s GLN 127 CO 0.18 -0.54 -0.22 0.08 -0.55 0.00 0.00 175.29 174.24 1rfa s VAL 128 N -3.85 2.18 0.00 1.34 1.01 -1.10 -0.69 120.40 119.28 1rfa s VAL 128 Ca 0.08 -2.02 0.00 0.00 0.00 0.00 0.00 61.98 60.04 1rfa s VAL 128 Cb -0.00 -2.04 0.00 0.00 0.00 0.00 0.00 36.38 34.34 1rfa s VAL 128 CO -0.05 -0.20 0.00 -0.67 0.00 0.00 0.00 175.10 174.18 1rfa n ASP 129 N 0.22 0.00 -4.72 3.32 -0.08 0.26 -3.55 116.55 112.00 1rfa n ASP 129 Ca -0.12 0.00 -0.30 0.00 -1.51 0.00 0.00 54.79 52.86 1rfa n ASP 129 Cb 0.57 0.00 0.13 0.00 2.34 0.00 0.00 41.12 44.16 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 -2.36 2.35 -0.72 -0.67 -0.12 -1.26 -0.15 117.98 115.04 1rfa s PHE 130 Ca 0.00 1.24 0.26 0.00 -0.05 0.00 0.00 56.93 58.38 1rfa s PHE 130 Cb 0.00 -3.16 0.88 0.00 -0.63 0.00 0.00 43.02 40.11 1rfa s PHE 130 CO 0.00 -2.36 1.78 1.47 -0.05 0.00 0.00 175.22 176.06 1rfa n LEU 131 N -3.85 0.69 0.00 -1.99 -0.00 -1.24 -2.10 117.00 108.51 1rfa n LEU 131 Ca 0.07 0.58 0.00 0.00 -0.00 0.00 0.00 56.01 56.66 1rfa n LEU 131 Cb 0.55 -0.38 0.00 0.00 -0.00 0.00 0.00 43.42 43.59 1rfa n LEU 131 CO 0.56 -0.23 0.23 0.47 -0.00 0.00 0.00 177.39 178.42