#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 0.00 -4.14 -3.46 6.94 -1.26 -4.77 115.26 108.57 1rfa n ASN 56 Ca 0.00 -1.85 -0.18 0.00 -0.02 0.00 0.00 54.58 52.53 1rfa n ASN 56 Cb 0.00 -0.17 -0.12 0.00 -2.36 0.00 0.00 39.78 37.13 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 1.01 0.06 5.53 -4.23 -1.26 -2.41 115.64 114.33 1rfa s THR 57 Ca 0.00 -1.14 0.00 0.00 -1.18 0.00 0.00 61.69 59.37 1rfa s THR 57 Cb 0.00 -0.96 -0.04 0.00 1.34 0.00 0.00 72.50 72.84 1rfa s THR 57 CO 0.00 -0.16 -0.04 -0.63 -0.54 0.00 0.00 174.62 173.24 1rfa s ILE 58 N -1.12 0.36 -0.15 2.99 1.09 -0.84 -0.60 121.20 122.93 1rfa s ILE 58 Ca -0.02 -1.63 -0.01 0.00 -1.10 0.00 0.00 60.65 57.89 1rfa s ILE 58 Cb -0.09 -1.27 -0.01 0.00 -1.06 0.00 0.00 42.46 40.03 1rfa s ILE 58 CO 0.02 -0.82 -0.11 -0.13 -0.10 0.00 0.00 174.94 173.79 1rfa s ARG 59 N -3.27 3.39 -0.35 2.79 0.52 -1.21 -0.92 118.95 119.90 1rfa s ARG 59 Ca 0.03 -0.67 -0.12 0.00 -0.52 0.00 0.00 55.73 54.46 1rfa s ARG 59 Cb 0.03 -2.72 0.00 0.00 0.52 0.00 0.00 34.95 32.78 1rfa s ARG 59 CO -0.06 0.13 0.21 0.08 0.02 0.00 0.00 175.30 175.68 1rfa s VAL 60 N 0.58 4.88 0.04 3.52 1.01 0.75 0.14 120.40 131.32 1rfa s VAL 60 Ca -0.07 -0.53 -0.08 0.00 0.00 0.00 0.00 61.98 61.30 1rfa s VAL 60 Cb -0.15 -3.60 -0.05 0.00 0.00 0.00 0.00 36.38 32.58 1rfa s VAL 60 CO 0.03 -0.10 0.32 -0.36 0.00 0.00 0.00 175.10 174.99 1rfa s PHE 61 N 1.64 3.58 0.49 5.22 0.40 0.52 -1.72 117.98 128.10 1rfa s PHE 61 Ca 0.04 0.65 0.05 0.00 -0.60 0.00 0.00 56.93 57.07 1rfa s PHE 61 Cb -0.18 -2.05 0.02 0.00 0.51 0.00 0.00 43.02 41.32 1rfa s PHE 61 CO 0.08 0.57 0.68 -0.51 0.70 0.00 0.00 175.22 176.73 1rfa s LEU 62 N -1.86 3.46 0.00 -0.37 2.01 0.23 -1.14 118.68 121.00 1rfa s LEU 62 Ca 0.30 -0.22 0.27 0.00 0.01 0.00 0.00 54.13 54.50 1rfa s LEU 62 Cb -0.13 -2.76 0.94 0.00 0.01 0.00 0.00 46.19 44.25 1rfa s LEU 62 CO 0.17 -0.96 1.69 -2.65 1.01 0.00 0.00 176.35 175.62 1rfa n PRO 63 N -2.10 0.38 -0.86 1.29 -0.01 -1.21 -1.42 135.00 131.07 1rfa n PRO 63 Ca 0.08 -0.16 -0.09 0.00 -0.01 0.00 0.00 63.50 63.32 1rfa n PRO 63 Cb 0.59 -1.50 0.21 0.00 -0.01 0.00 0.00 33.50 32.80 1rfa n PRO 63 CO 0.00 0.00 0.00 0.27 -0.01 0.00 0.00 175.50 175.76 1rfa n ASN 64 N -1.17 4.03 0.00 2.55 6.94 -1.26 -4.84 115.26 121.51 1rfa n ASN 64 Ca 0.10 -3.05 0.00 0.00 -0.02 0.00 0.00 54.58 51.61 1rfa n ASN 64 Cb 0.32 -0.72 0.00 0.00 -2.36 0.00 0.00 39.78 37.02 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 -0.28 0.00 -2.05 -3.83 4.76 -0.51 -4.98 118.16 111.27 1rfa n LYS 65 Ca 0.37 0.00 -0.29 0.00 -2.87 0.00 0.00 58.31 55.52 1rfa n LYS 65 Cb 1.25 -2.32 0.17 0.00 -1.84 0.00 0.00 35.03 32.29 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 -0.13 0.83 0.16 1.97 -1.52 -1.24 -4.66 119.66 115.08 1rfa s GLN 66 Ca 0.00 -0.54 -0.24 0.00 -1.95 0.00 0.00 55.36 52.63 1rfa s GLN 66 Cb 0.00 -1.94 0.06 0.00 -0.22 0.00 0.00 33.01 30.92 1rfa s GLN 66 CO 0.00 -2.24 0.73 -0.98 -0.25 0.00 0.00 175.29 172.55 1rfa s ARG 67 N -5.75 1.32 -0.09 2.91 3.03 -1.25 0.74 118.95 119.85 1rfa s ARG 67 Ca 0.73 -0.60 -0.33 0.00 2.03 0.00 0.00 55.73 57.56 1rfa s ARG 67 Cb -0.04 0.53 0.13 0.00 -1.03 0.00 0.00 34.95 34.54 1rfa s ARG 67 CO 0.51 -0.59 1.26 -0.08 -1.13 0.00 0.00 175.30 175.27 1rfa s THR 68 N -3.62 0.00 -0.02 4.99 -1.32 -0.70 -4.94 115.64 110.03 1rfa s THR 68 Ca 0.06 -0.13 0.03 0.00 -1.21 0.00 0.00 61.69 60.45 1rfa s THR 68 Cb -0.02 -1.57 -0.03 0.00 -1.51 0.00 0.00 72.50 69.37 1rfa s THR 68 CO -0.05 0.00 -0.11 -0.69 -2.21 0.00 0.00 174.62 171.56 1rfa s VAL 69 N -2.41 3.35 0.16 5.08 1.01 -1.26 -0.17 120.40 126.15 1rfa s VAL 69 Ca 0.12 -0.77 0.05 0.00 0.00 0.00 0.00 61.98 61.39 1rfa s VAL 69 Cb 0.02 -2.39 -0.04 0.00 0.00 0.00 0.00 36.38 33.97 1rfa s VAL 69 CO -0.04 0.48 -0.12 0.68 0.00 0.00 0.00 175.10 176.10 1rfa s VAL 70 N -0.87 1.33 0.15 2.92 -7.23 -0.09 -4.94 120.40 111.66 1rfa s VAL 70 Ca 0.14 -2.05 0.10 0.00 -1.81 0.00 0.00 61.98 58.36 1rfa s VAL 70 Cb -0.11 -1.85 -0.04 0.00 0.56 0.00 0.00 36.38 34.94 1rfa s VAL 70 CO 0.04 -0.66 -0.19 0.20 -0.31 0.00 0.00 175.10 174.17 1rfa s ASN 71 N -3.10 3.78 -0.06 4.85 0.01 -1.26 -1.99 114.94 117.17 1rfa s ASN 71 Ca 0.17 -0.65 0.03 0.00 -0.71 0.00 0.00 52.86 51.70 1rfa s ASN 71 Cb 0.01 -0.47 -0.03 0.00 0.41 0.00 0.00 41.25 41.17 1rfa s ASN 71 CO 0.02 0.15 -0.14 0.54 -1.51 0.00 0.00 177.10 176.17 1rfa s VAL 72 N -1.34 3.10 0.08 1.60 0.11 -1.01 -4.99 120.40 117.95 1rfa s VAL 72 Ca 0.19 -0.70 0.00 0.00 -2.93 0.00 0.00 61.98 58.54 1rfa s VAL 72 Cb -0.10 -2.22 0.00 0.00 -1.53 0.00 0.00 36.38 32.54 1rfa s VAL 72 CO 0.10 0.59 0.04 0.54 -3.33 0.00 0.00 175.10 173.04 1rfa n ARG 73 N 2.40 1.51 -2.65 1.54 3.00 -1.26 -4.97 116.66 116.24 1rfa n ARG 73 Ca -0.17 -0.52 -0.42 0.00 -0.01 0.00 0.00 57.85 56.72 1rfa n ARG 73 Cb 0.52 0.08 -0.03 0.00 0.00 0.00 0.00 32.46 33.04 1rfa n ARG 73 CO 0.00 0.00 0.00 -0.80 0.00 0.00 0.00 177.63 176.83 1rfa s ASN 74 N -1.46 6.41 0.00 0.55 -0.87 -1.26 -3.92 114.94 114.39 1rfa s ASN 74 Ca 0.03 -0.04 0.00 0.00 -1.57 0.00 0.00 52.86 51.29 1rfa s ASN 74 Cb -0.00 -2.52 0.00 0.00 -0.02 0.00 0.00 41.25 38.71 1rfa s ASN 74 CO 0.02 -1.43 0.00 0.61 -2.57 0.00 0.00 177.10 173.73 1rfa n GLY 75 N 5.09 0.78 0.26 0.66 0.00 -1.26 -5.06 105.19 105.65 1rfa n GLY 75 Ca 0.06 -0.71 -0.06 0.00 0.00 0.00 0.00 46.02 45.32 1rfa n GLY 75 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 173.32 174.35 1rfa n MET 76 N -0.17 0.33 -0.88 1.61 2.81 -1.25 -5.08 117.12 114.48 1rfa n MET 76 Ca 0.00 0.13 0.01 0.00 -1.81 0.00 0.00 57.70 56.03 1rfa n MET 76 Cb 0.07 -1.05 -0.00 0.00 -0.71 0.00 0.00 33.22 31.52 1rfa n MET 76 CO 0.00 0.00 0.00 0.43 1.51 0.00 0.00 175.97 177.91 1rfa n SER 77 N -3.86 -4.75 0.08 7.83 7.64 -1.26 -4.23 113.62 115.07 1rfa n SER 77 Ca -0.09 1.04 -0.09 0.00 1.01 0.00 0.00 58.87 60.74 1rfa n SER 77 Cb 0.32 -2.46 0.00 0.00 -1.01 0.00 0.00 64.21 61.07 1rfa n SER 77 CO 0.00 0.00 0.00 -0.07 -3.01 0.00 0.00 175.04 171.96 1rfa h LEU 78 N 0.02 0.34 -1.77 -3.43 3.38 -1.28 1.77 115.31 114.33 1rfa h LEU 78 Ca -0.01 -0.26 -0.02 0.00 0.09 0.00 0.00 57.88 57.69 1rfa h LEU 78 Cb 0.57 -0.10 -0.00 0.00 0.09 0.00 0.00 40.66 41.21 1rfa h LEU 78 CO 0.00 1.03 -0.09 -0.74 0.09 0.00 0.00 178.44 178.73 1rfa h HIS 79 N 0.16 0.00 0.00 1.13 2.76 0.57 1.00 115.15 120.77 1rfa h HIS 79 Ca -0.04 0.00 0.00 0.00 -2.20 0.00 0.00 60.37 58.13 1rfa h HIS 79 Cb 1.45 0.00 0.00 0.00 1.55 0.00 0.00 27.41 30.41 1rfa h HIS 79 CO 0.04 0.09 -1.02 -0.25 -1.30 0.00 0.00 177.93 175.48 1rfa n ASP 80 N -3.35 0.97 0.12 3.26 9.92 0.26 -3.28 116.55 124.44 1rfa n ASP 80 Ca -0.01 -0.57 0.05 0.00 -0.53 0.00 0.00 54.79 53.73 1rfa n ASP 80 Cb 0.27 1.23 0.02 0.00 -0.64 0.00 0.00 41.12 42.00 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 -3.02 0.07 -0.35 0.00 4.77 0.32 -4.01 117.00 114.78 1rfa n LEU 82 Ca -0.01 -0.09 0.15 0.00 -0.03 0.00 0.00 56.01 56.03 1rfa n LEU 82 Cb 0.70 0.00 0.35 0.00 -2.33 0.00 0.00 43.42 42.14 1rfa n LEU 82 CO 0.40 0.02 1.18 -0.03 -1.33 0.00 0.00 177.39 177.63 1rfa h MET 83 N 0.00 0.67 -0.55 3.23 4.05 -1.62 0.38 114.93 121.08 1rfa h MET 83 Ca 0.00 -0.04 0.10 0.00 -0.28 0.00 0.00 59.70 59.48 1rfa h MET 83 Cb 0.35 -0.15 -0.11 0.00 -0.80 0.00 0.00 31.60 30.89 1rfa h MET 83 CO 0.00 0.44 -0.31 -0.22 0.23 0.00 0.00 176.91 177.05 1rfa h LYS 84 N 0.69 -0.16 -0.24 0.39 1.63 -1.69 1.69 116.57 118.88 1rfa h LYS 84 Ca 0.60 0.01 0.00 0.00 -0.85 0.00 0.00 60.65 60.41 1rfa h LYS 84 Cb 1.03 0.04 0.00 0.00 -0.60 0.00 0.00 32.23 32.70 1rfa h LYS 84 CO -0.41 -0.11 0.00 0.00 -3.45 0.00 0.00 179.45 175.48 1rfa n ALA 85 N -3.10 2.48 0.00 5.00 0.00 0.13 -2.47 120.51 122.55 1rfa n ALA 85 Ca 0.04 -0.51 0.00 0.00 0.00 0.00 0.00 53.44 52.97 1rfa n ALA 85 Cb 0.35 -1.03 0.00 0.00 0.00 0.00 0.00 19.45 18.77 1rfa n ALA 85 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 1rfa n LEU 86 N 0.30 0.10 -0.34 0.00 4.77 -0.42 -4.48 117.00 116.92 1rfa n LEU 86 Ca 0.12 0.00 0.01 0.00 -0.03 0.00 0.00 56.01 56.12 1rfa n LEU 86 Cb 0.27 0.00 0.15 0.00 -2.33 0.00 0.00 43.42 41.51 1rfa n LEU 86 CO 0.09 0.02 1.23 0.50 -1.33 0.00 0.00 177.39 177.90 1rfa h LYS 87 N 0.00 1.06 0.00 3.23 3.11 0.24 1.42 116.57 125.63 1rfa h LYS 87 Ca 0.00 -0.06 0.00 0.00 -2.81 0.00 0.00 60.65 57.78 1rfa h LYS 87 Cb 0.19 -0.24 0.00 0.00 -1.00 0.00 0.00 32.23 31.18 1rfa h LYS 87 CO 0.00 0.70 0.00 -0.24 -2.81 0.00 0.00 179.45 177.10 1rfa h VAL 88 N 1.09 0.00 0.04 2.00 3.04 -1.64 -2.59 116.25 118.19 1rfa h VAL 88 Ca 0.40 -0.35 -0.33 0.00 -1.01 0.00 0.00 66.70 65.40 1rfa h VAL 88 Cb 0.14 1.31 -0.04 0.00 -2.01 0.00 0.00 31.29 30.68 1rfa h VAL 88 CO -0.16 0.00 -1.87 0.54 -1.01 0.00 0.00 177.57 175.07 1rfa n ARG 89 N -2.98 0.64 0.00 4.17 1.74 -0.44 -5.00 116.66 114.78 1rfa n ARG 89 Ca -0.00 0.38 0.00 0.00 -0.77 0.00 0.00 57.85 57.45 1rfa n ARG 89 Cb 0.24 -1.66 0.00 0.00 -1.02 0.00 0.00 32.46 30.02 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 1.65 1.44 3.84 -0.13 0.00 0.44 -5.08 105.19 107.36 1rfa n GLY 90 Ca -0.38 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 3.08 -0.12 0.99 1.43 0.13 -4.99 118.68 119.20 1rfa s LEU 91 Ca 0.00 -1.01 -0.02 0.00 -1.03 0.00 0.00 54.13 52.07 1rfa s LEU 91 Cb 0.00 -1.59 -0.03 0.00 0.03 0.00 0.00 46.19 44.61 1rfa s LEU 91 CO 0.00 -0.77 -0.06 -1.10 0.23 0.00 0.00 176.35 174.65 1rfa s GLN 92 N -4.11 3.31 0.00 1.70 -1.52 -1.26 -4.48 119.66 113.30 1rfa s GLN 92 Ca 0.41 -0.55 0.19 0.00 -1.95 0.00 0.00 55.36 53.46 1rfa s GLN 92 Cb -0.01 -2.76 -0.07 0.00 -0.22 0.00 0.00 33.01 29.95 1rfa s GLN 92 CO 0.24 0.39 0.89 -0.35 -0.25 0.00 0.00 175.29 176.21 1rfa n PRO 93 N 3.06 1.35 0.16 2.91 -0.04 -1.26 -4.19 135.00 137.00 1rfa n PRO 93 Ca -0.18 -0.60 0.13 0.00 -0.04 0.00 0.00 63.50 62.81 1rfa n PRO 93 Cb 0.53 -1.36 0.44 0.00 -0.04 0.00 0.00 33.50 33.07 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 1.40 0.00 -0.51 0.54 3.07 -1.98 -1.80 114.58 115.31 1rfa h GLU 94 Ca 0.00 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 58.86 1rfa h GLU 94 Cb 0.57 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.48 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 -2.76 1.44 0.17 0.00 0.00 0.17 -4.75 121.76 116.03 1rfa s ALA 97 Ca 0.34 -0.65 0.05 0.00 0.00 0.00 0.00 51.96 51.70 1rfa s ALA 97 Cb 0.08 -0.47 -0.04 0.00 0.00 0.00 0.00 23.12 22.69 1rfa s ALA 97 CO 0.17 0.27 0.11 0.54 0.00 0.00 0.00 175.76 176.85 1rfa s VAL 98 N 0.01 4.33 0.23 0.00 0.11 -1.26 0.97 120.40 124.79 1rfa s VAL 98 Ca -0.03 -1.15 -0.07 0.00 -2.93 0.00 0.00 61.98 57.80 1rfa s VAL 98 Cb -0.11 -3.20 -0.02 0.00 -1.53 0.00 0.00 36.38 31.52 1rfa s VAL 98 CO 0.02 -0.11 0.33 -0.36 -3.33 0.00 0.00 175.10 171.65 1rfa s PHE 99 N -1.74 0.74 0.07 1.54 0.40 0.13 -2.80 117.98 116.32 1rfa s PHE 99 Ca 0.30 -1.03 0.05 0.00 -0.60 0.00 0.00 56.93 55.65 1rfa s PHE 99 Cb -0.10 -0.14 -0.04 0.00 0.51 0.00 0.00 43.02 43.25 1rfa s PHE 99 CO 0.22 -0.85 -0.03 0.50 0.70 0.00 0.00 175.22 175.76 1rfa s ARG 100 N -4.03 2.47 0.98 0.44 3.52 0.22 -1.11 118.95 121.44 1rfa s ARG 100 Ca 0.30 -0.85 -0.16 0.00 -0.13 0.00 0.00 55.73 54.89 1rfa s ARG 100 Cb 0.03 -2.49 0.20 0.00 -1.56 0.00 0.00 34.95 31.13 1rfa s ARG 100 CO 0.11 0.55 1.29 -0.51 -0.81 0.00 0.00 175.30 175.93 1rfa s LEU 101 N -2.10 2.50 -0.81 -0.88 1.02 -1.20 -0.09 118.68 117.11 1rfa s LEU 101 Ca 0.23 0.33 -0.21 0.00 0.02 0.00 0.00 54.13 54.50 1rfa s LEU 101 Cb -0.11 -2.36 0.10 0.00 0.02 0.00 0.00 46.19 43.83 1rfa s LEU 101 CO 0.15 -2.84 1.08 -1.48 0.02 0.00 0.00 176.35 173.28 1rfa s LEU 102 N -5.99 4.61 0.00 1.79 0.05 -1.26 -4.40 118.68 113.48 1rfa s LEU 102 Ca 0.73 -1.49 0.15 0.00 0.05 0.00 0.00 54.13 53.57 1rfa s LEU 102 Cb -0.05 -2.42 -0.09 0.00 -2.05 0.00 0.00 46.19 41.57 1rfa s LEU 102 CO 0.53 -1.28 0.73 1.41 -0.55 0.00 0.00 176.35 177.19 1rfa n HIS 103 N 7.29 0.00 -2.24 3.48 8.25 -1.26 -4.37 115.22 126.38 1rfa n HIS 103 Ca 0.11 0.00 0.01 0.00 -0.26 0.00 0.00 57.72 57.59 1rfa n HIS 103 Cb 0.47 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.59 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 -0.83 0.00 -4.21 -0.41 4.71 -1.26 -5.09 120.64 113.54 1rfa n GLU 104 Ca 0.04 -1.41 -0.12 0.00 -0.01 0.00 0.00 57.16 55.66 1rfa n GLU 104 Cb 0.28 -0.16 -0.10 0.00 -1.01 0.00 0.00 31.44 30.44 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 1.16 -0.26 -0.32 3.76 -1.26 -5.07 115.29 113.30 1rfa s HIS 105 Ca 0.16 -1.27 -0.04 0.00 -0.15 0.00 0.00 55.06 53.76 1rfa s HIS 105 Cb 0.18 -0.62 -0.16 0.00 1.11 0.00 0.00 32.58 33.10 1rfa s HIS 105 CO -0.08 -0.51 -0.24 1.17 -0.85 0.00 0.00 174.74 174.23 1rfa n LYS 106 N -0.26 0.63 -2.71 1.40 3.00 -1.26 -4.77 118.16 114.19 1rfa n LYS 106 Ca -0.01 0.20 -0.08 0.00 -0.00 0.00 0.00 58.31 58.42 1rfa n LYS 106 Cb 0.65 -1.52 0.10 0.00 0.00 0.00 0.00 35.03 34.26 1rfa n LYS 106 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.40 177.81 1rfa n GLY 107 N 1.91 1.30 3.43 3.14 0.00 -1.26 -5.08 105.19 108.63 1rfa n GLY 107 Ca -0.48 -0.26 -0.11 0.00 0.00 0.00 0.00 46.02 45.17 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 -0.22 0.57 0.12 1.61 1.02 -1.26 -5.15 119.74 116.44 1rfa s LYS 108 Ca 0.23 0.89 -0.08 0.00 0.02 0.00 0.00 55.97 57.03 1rfa s LYS 108 Cb 0.39 0.15 -0.06 0.00 -0.52 0.00 0.00 37.83 37.79 1rfa s LYS 108 CO -0.07 -0.12 0.42 0.15 -0.92 0.00 0.00 175.35 174.80 1rfa s LYS 109 N 1.03 3.72 -0.25 1.68 1.02 -1.26 -4.36 119.74 121.32 1rfa s LYS 109 Ca -0.06 0.11 -0.25 0.00 0.02 0.00 0.00 55.97 55.79 1rfa s LYS 109 Cb -0.06 -2.89 -0.00 0.00 -0.52 0.00 0.00 37.83 34.36 1rfa s LYS 109 CO -0.09 0.49 0.85 0.00 -0.92 0.00 0.00 175.35 175.68 1rfa s ALA 110 N -1.55 3.63 0.19 5.17 0.00 0.86 -4.88 121.76 125.18 1rfa s ALA 110 Ca 0.38 -0.14 -0.19 0.00 0.00 0.00 0.00 51.96 52.01 1rfa s ALA 110 Cb -0.13 -3.33 -0.08 0.00 0.00 0.00 0.00 23.12 19.58 1rfa s ALA 110 CO 0.21 -1.00 0.67 0.50 0.00 0.00 0.00 175.76 176.14 1rfa s ARG 111 N 2.93 4.20 0.00 0.00 3.00 -1.26 0.73 118.95 128.54 1rfa s ARG 111 Ca 0.36 0.78 0.00 0.00 -1.00 0.00 0.00 55.73 55.87 1rfa s ARG 111 Cb -0.15 -2.93 0.00 0.00 0.00 0.00 0.00 34.95 31.87 1rfa s ARG 111 CO 0.08 0.44 0.00 1.28 0.00 0.00 0.00 175.30 177.10 1rfa n LEU 112 N 0.85 0.00 -3.48 -0.88 4.77 -1.12 -4.87 117.00 112.27 1rfa n LEU 112 Ca -0.04 0.00 -0.14 0.00 -0.03 0.00 0.00 56.01 55.80 1rfa n LEU 112 Cb 0.51 0.00 -0.04 0.00 -2.33 0.00 0.00 43.42 41.56 1rfa n LEU 112 CO 0.43 0.00 0.38 -0.62 -1.33 0.00 0.00 177.39 176.25 1rfa s ASP 113 N -0.11 -0.56 0.00 -1.43 2.15 -1.26 -5.01 116.67 110.45 1rfa s ASP 113 Ca 0.00 0.22 0.30 0.00 0.43 0.00 0.00 52.55 53.49 1rfa s ASP 113 Cb 0.00 0.56 1.49 0.00 -0.30 0.00 0.00 42.92 44.67 1rfa s ASP 113 CO 0.00 -0.83 2.03 0.79 -0.17 0.00 0.00 175.17 176.99 1rfa n TRP 114 N 0.11 0.00 -0.51 -5.34 5.03 -1.26 -2.09 117.44 113.38 1rfa n TRP 114 Ca -0.18 0.00 0.07 0.00 3.03 0.00 0.00 57.50 60.42 1rfa n TRP 114 Cb 0.62 -0.29 0.20 0.00 -1.03 0.00 0.00 31.31 30.81 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 -1.29 3.34 -4.82 -0.99 5.15 -1.26 0.12 115.26 115.51 1rfa n ASN 115 Ca 0.14 -2.41 -0.34 0.00 -0.60 0.00 0.00 54.58 51.37 1rfa n ASN 115 Cb 0.24 -0.36 -0.07 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 -1.74 4.41 -0.71 -0.44 2.01 -0.89 -4.20 115.64 114.08 1rfa s THR 116 Ca 0.31 1.46 -0.27 0.00 0.31 0.00 0.00 61.69 63.51 1rfa s THR 116 Cb 0.21 -3.68 0.01 0.00 0.01 0.00 0.00 72.50 69.05 1rfa s THR 116 CO 0.13 -0.20 1.54 -0.62 -0.69 0.00 0.00 174.62 174.78 1rfa s ASP 117 N -2.08 5.78 0.28 3.53 2.15 -1.26 -1.95 116.67 123.12 1rfa s ASP 117 Ca 0.58 -0.19 0.22 0.00 0.43 0.00 0.00 52.55 53.60 1rfa s ASP 117 Cb -0.11 -2.55 1.04 0.00 -0.30 0.00 0.00 42.92 41.00 1rfa s ASP 117 CO 0.16 -2.07 1.68 0.00 -0.17 0.00 0.00 175.17 174.76 1rfa n ALA 118 N 10.87 1.39 1.67 3.66 0.00 -1.26 0.18 120.51 137.02 1rfa n ALA 118 Ca 0.13 0.13 0.15 0.00 0.00 0.00 0.00 53.44 53.85 1rfa n ALA 118 Cb 0.50 -1.35 0.83 0.00 0.00 0.00 0.00 19.45 19.43 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 -1.77 2.54 0.53 0.00 0.00 -1.26 -0.98 120.51 119.58 1rfa n ALA 119 Ca 0.01 -0.17 0.09 0.00 0.00 0.00 0.00 53.44 53.37 1rfa n ALA 119 Cb 0.14 -1.48 -0.12 0.00 0.00 0.00 0.00 19.45 17.99 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 -1.12 0.81 -1.21 0.00 2.88 0.13 -3.90 113.62 111.20 1rfa n SER 120 Ca 0.19 -0.58 0.08 0.00 -1.33 0.00 0.00 58.87 57.23 1rfa n SER 120 Cb 0.16 1.32 0.29 0.00 -0.75 0.00 0.00 64.21 65.23 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 -1.70 4.30 -4.75 2.46 7.99 -0.15 -5.00 117.00 120.16 1rfa n LEU 121 Ca 0.01 -2.70 -0.41 0.00 -0.01 0.00 0.00 56.01 52.90 1rfa n LEU 121 Cb 0.36 -0.53 -0.04 0.00 -0.11 0.00 0.00 43.42 43.10 1rfa n LEU 121 CO 0.38 0.71 0.86 -0.51 -1.51 0.00 0.00 177.39 177.32 1rfa s ILE 122 N -2.29 3.40 0.00 -0.08 1.10 -0.48 -2.87 121.20 119.98 1rfa s ILE 122 Ca 0.44 1.30 0.00 0.00 -0.51 0.00 0.00 60.65 61.88 1rfa s ILE 122 Cb 0.32 -3.83 0.00 0.00 0.15 0.00 0.00 42.46 39.10 1rfa s ILE 122 CO 0.15 0.27 0.00 0.61 -2.11 0.00 0.00 174.94 173.86 1rfa n GLY 123 N 1.57 0.68 0.00 1.50 0.00 0.23 -4.68 105.19 104.49 1rfa n GLY 123 Ca 0.01 -0.73 0.00 0.00 0.00 0.00 0.00 46.02 45.31 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 -0.85 0.75 -4.77 1.61 -0.58 -1.14 -5.02 120.64 110.65 1rfa n GLU 124 Ca 0.00 0.00 -0.33 0.00 -0.42 0.00 0.00 57.16 56.41 1rfa n GLU 124 Cb 0.43 0.00 -0.12 0.00 -0.57 0.00 0.00 31.44 31.18 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 -1.50 2.68 0.20 3.49 2.02 -1.26 -3.33 118.70 120.99 1rfa s GLU 125 Ca 0.00 -0.63 0.09 0.00 0.02 0.00 0.00 54.97 54.45 1rfa s GLU 125 Cb 0.00 -2.49 -0.04 0.00 0.10 0.00 0.00 34.13 31.70 1rfa s GLU 125 CO 0.00 0.61 -0.08 -0.51 0.02 0.00 0.00 175.26 175.30 1rfa s LEU 126 N -0.67 3.01 0.04 1.80 1.43 0.36 -3.26 118.68 121.40 1rfa s LEU 126 Ca 0.10 -0.59 -0.03 0.00 -1.03 0.00 0.00 54.13 52.58 1rfa s LEU 126 Cb -0.11 -1.67 -0.02 0.00 0.03 0.00 0.00 46.19 44.42 1rfa s LEU 126 CO 0.01 0.09 0.03 -1.58 0.23 0.00 0.00 176.35 175.13 1rfa s GLN 127 N -2.98 0.57 0.05 1.70 0.74 -0.27 -0.36 119.66 119.11 1rfa s GLN 127 Ca 0.26 -0.93 0.09 0.00 0.05 0.00 0.00 55.36 54.83 1rfa s GLN 127 Cb -0.08 0.21 -0.03 0.00 1.10 0.00 0.00 33.01 34.21 1rfa s GLN 127 CO 0.16 -0.12 -0.25 0.08 -0.55 0.00 0.00 175.29 174.61 1rfa s VAL 128 N -3.03 1.99 0.29 1.34 1.01 -0.30 0.19 120.40 121.90 1rfa s VAL 128 Ca -0.01 -1.34 0.02 0.00 0.00 0.00 0.00 61.98 60.65 1rfa s VAL 128 Cb 0.01 -1.71 -0.06 0.00 0.00 0.00 0.00 36.38 34.63 1rfa s VAL 128 CO -0.07 0.30 0.08 -0.62 0.00 0.00 0.00 175.10 174.80 1rfa s ASP 129 N -1.24 1.75 0.02 3.32 -1.08 0.27 -3.28 116.67 116.43 1rfa s ASP 129 Ca 0.10 -1.38 -0.01 0.00 -0.52 0.00 0.00 52.55 50.74 1rfa s ASP 129 Cb -0.10 0.04 -0.04 0.00 -1.46 0.00 0.00 42.92 41.37 1rfa s ASP 129 CO 0.02 -0.67 0.18 0.72 0.52 0.00 0.00 175.17 175.94 1rfa s PHE 130 N -3.54 3.51 0.00 -5.34 -0.12 -1.26 0.43 117.98 111.66 1rfa s PHE 130 Ca 0.37 0.30 0.00 0.00 -0.05 0.00 0.00 56.93 57.55 1rfa s PHE 130 Cb 0.08 -1.79 0.00 0.00 -0.63 0.00 0.00 43.02 40.68 1rfa s PHE 130 CO 0.14 0.62 0.00 1.28 -0.05 0.00 0.00 175.22 177.21 1rfa n LEU 131 N 0.71 0.00 0.00 -1.99 4.77 -0.61 -4.71 117.00 115.17 1rfa n LEU 131 Ca -0.09 0.00 0.16 0.00 -0.03 0.00 0.00 56.01 56.05 1rfa n LEU 131 Cb 0.52 0.00 0.94 0.00 -2.33 0.00 0.00 43.42 42.55 1rfa n LEU 131 CO 0.46 0.00 1.10 0.47 -1.33 0.00 0.00 177.39 178.09