#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 -4.22 -3.46 2.85 -1.26 -4.83 115.26 104.34 1rfa n ASN 56 Ca 0.00 -1.66 -0.23 0.00 -0.11 0.00 0.00 54.58 52.58 1rfa n ASN 56 Cb 0.00 -0.13 -0.13 0.00 1.24 0.00 0.00 39.78 40.75 1rfa n ASN 56 CO 0.00 0.00 0.00 0.42 -2.11 0.00 0.00 177.26 175.57 1rfa s THR 57 N 0.00 1.49 0.04 -0.44 -4.23 -1.26 -2.58 115.64 108.65 1rfa s THR 57 Ca 0.00 -1.21 -0.04 0.00 -1.18 0.00 0.00 61.69 59.25 1rfa s THR 57 Cb 0.00 -1.32 -0.01 0.00 1.34 0.00 0.00 72.50 72.50 1rfa s THR 57 CO 0.00 0.07 0.07 -0.63 -0.54 0.00 0.00 174.62 173.59 1rfa s ILE 58 N -0.91 0.14 -0.13 2.99 1.09 -0.26 0.39 121.20 124.51 1rfa s ILE 58 Ca 0.05 -1.14 -0.03 0.00 -1.10 0.00 0.00 60.65 58.43 1rfa s ILE 58 Cb -0.09 -0.88 -0.03 0.00 -1.06 0.00 0.00 42.46 40.40 1rfa s ILE 58 CO 0.02 -0.63 -0.02 -0.13 -0.10 0.00 0.00 174.94 174.09 1rfa s ARG 59 N -2.60 3.38 -0.31 2.79 0.52 -1.15 -0.84 118.95 120.75 1rfa s ARG 59 Ca -0.05 -0.47 -0.07 0.00 -0.52 0.00 0.00 55.73 54.62 1rfa s ARG 59 Cb -0.01 -2.87 0.01 0.00 0.52 0.00 0.00 34.95 32.60 1rfa s ARG 59 CO -0.05 0.44 0.10 0.08 0.02 0.00 0.00 175.30 175.89 1rfa s VAL 60 N -0.17 4.02 -0.03 3.52 1.01 0.16 0.14 120.40 129.05 1rfa s VAL 60 Ca 0.04 -0.76 -0.07 0.00 0.00 0.00 0.00 61.98 61.19 1rfa s VAL 60 Cb -0.13 -3.12 -0.05 0.00 0.00 0.00 0.00 36.38 33.09 1rfa s VAL 60 CO 0.02 0.01 0.23 -0.36 0.00 0.00 0.00 175.10 175.01 1rfa s PHE 61 N 1.50 3.59 0.55 5.22 0.40 -0.69 -1.24 117.98 127.31 1rfa s PHE 61 Ca 0.02 0.57 -0.02 0.00 -0.60 0.00 0.00 56.93 56.90 1rfa s PHE 61 Cb -0.18 -1.98 0.02 0.00 0.51 0.00 0.00 43.02 41.39 1rfa s PHE 61 CO 0.03 0.66 0.80 -0.51 0.70 0.00 0.00 175.22 176.90 1rfa s LEU 62 N -1.50 3.31 0.27 -0.37 2.01 0.39 -1.34 118.68 121.46 1rfa s LEU 62 Ca 0.23 0.30 0.25 0.00 0.01 0.00 0.00 54.13 54.92 1rfa s LEU 62 Cb -0.13 -3.13 0.61 0.00 0.01 0.00 0.00 46.19 43.55 1rfa s LEU 62 CO 0.13 -1.06 1.67 -0.65 1.01 0.00 0.00 176.35 177.45 1rfa h PRO 63 N 0.02 0.00 -1.03 1.29 0.11 -1.86 -1.95 132.00 128.59 1rfa h PRO 63 Ca -0.44 0.00 -0.37 0.00 0.11 0.00 0.00 66.00 65.29 1rfa h PRO 63 Cb 1.28 0.00 -0.21 0.00 0.11 0.00 0.00 31.00 32.17 1rfa h PRO 63 CO 0.57 0.00 0.48 0.27 -0.21 0.00 0.00 178.00 179.10 1rfa n ASN 64 N -2.52 3.90 0.00 -2.05 6.94 -1.26 -4.83 115.26 115.44 1rfa n ASN 64 Ca 0.05 -3.15 0.00 0.00 -0.02 0.00 0.00 54.58 51.46 1rfa n ASN 64 Cb 0.46 -0.77 0.00 0.00 -2.36 0.00 0.00 39.78 37.12 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 -0.60 0.00 -1.81 -3.83 4.76 -0.73 -4.99 118.16 110.96 1rfa n LYS 65 Ca 0.42 0.00 -0.30 0.00 -2.87 0.00 0.00 58.31 55.56 1rfa n LYS 65 Cb 1.25 -0.70 0.18 0.00 -1.84 0.00 0.00 35.03 33.92 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 -0.48 0.52 0.19 1.97 1.11 -1.25 -4.60 119.66 117.11 1rfa s GLN 66 Ca 0.00 -0.30 -0.23 0.00 0.01 0.00 0.00 55.36 54.83 1rfa s GLN 66 Cb 0.00 -1.82 0.05 0.00 -1.01 0.00 0.00 33.01 30.23 1rfa s GLN 66 CO 0.00 -2.51 0.78 -0.98 0.01 0.00 0.00 175.29 172.59 1rfa s ARG 67 N -5.79 1.40 -0.20 2.91 3.03 -1.26 0.15 118.95 119.20 1rfa s ARG 67 Ca 0.72 -0.71 -0.36 0.00 2.03 0.00 0.00 55.73 57.41 1rfa s ARG 67 Cb -0.05 0.52 0.14 0.00 -1.03 0.00 0.00 34.95 34.53 1rfa s ARG 67 CO 0.53 -0.64 1.24 -0.08 -1.13 0.00 0.00 175.30 175.23 1rfa s THR 68 N -3.61 0.00 0.01 4.99 -1.32 -0.37 -4.93 115.64 110.41 1rfa s THR 68 Ca 0.09 -0.00 0.02 0.00 -1.21 0.00 0.00 61.69 60.58 1rfa s THR 68 Cb -0.03 -1.02 -0.04 0.00 -1.51 0.00 0.00 72.50 69.90 1rfa s THR 68 CO -0.00 0.00 0.01 0.54 -2.21 0.00 0.00 174.62 172.96 1rfa s VAL 69 N -2.35 4.22 0.06 5.08 0.11 -1.26 0.37 120.40 126.63 1rfa s VAL 69 Ca 0.10 -0.61 -0.01 0.00 -2.93 0.00 0.00 61.98 58.53 1rfa s VAL 69 Cb -0.01 -2.90 -0.04 0.00 -1.53 0.00 0.00 36.38 31.90 1rfa s VAL 69 CO -0.04 0.35 -0.02 0.68 -3.33 0.00 0.00 175.10 172.73 1rfa s VAL 70 N -1.12 0.21 0.11 2.04 -7.23 -0.02 -4.93 120.40 109.46 1rfa s VAL 70 Ca 0.21 -1.82 0.05 0.00 -1.81 0.00 0.00 61.98 58.61 1rfa s VAL 70 Cb -0.12 -1.55 -0.04 0.00 0.56 0.00 0.00 36.38 35.23 1rfa s VAL 70 CO 0.12 -0.97 0.01 0.20 -0.31 0.00 0.00 175.10 174.15 1rfa s ASN 71 N -2.93 5.06 -0.36 4.85 -0.87 -1.26 -1.11 114.94 118.33 1rfa s ASN 71 Ca 0.08 -0.19 -0.17 0.00 -1.57 0.00 0.00 52.86 51.02 1rfa s ASN 71 Cb 0.08 -1.21 -0.00 0.00 -0.02 0.00 0.00 41.25 40.10 1rfa s ASN 71 CO -0.09 0.16 0.43 0.54 -2.57 0.00 0.00 177.10 175.57 1rfa s VAL 72 N -1.40 5.09 0.70 1.60 0.11 -1.06 -4.96 120.40 120.48 1rfa s VAL 72 Ca 0.27 0.10 -0.07 0.00 -2.93 0.00 0.00 61.98 59.35 1rfa s VAL 72 Cb -0.11 -3.91 0.15 0.00 -1.53 0.00 0.00 36.38 30.97 1rfa s VAL 72 CO 0.19 -0.20 0.96 0.54 -3.33 0.00 0.00 175.10 173.26 1rfa n ARG 73 N 5.56 -0.50 -2.44 1.54 5.12 -1.26 -4.92 116.66 119.76 1rfa n ARG 73 Ca -0.07 -1.99 -0.40 0.00 -1.93 0.00 0.00 57.85 53.45 1rfa n ARG 73 Cb 0.49 -0.83 -0.03 0.00 -1.16 0.00 0.00 32.46 30.93 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 -4.68 5.99 0.00 0.55 4.22 -1.26 -1.97 114.94 117.79 1rfa s ASN 74 Ca 0.58 -0.40 0.00 0.00 -2.14 0.00 0.00 52.86 50.90 1rfa s ASN 74 Cb -0.02 -2.56 0.00 0.00 1.28 0.00 0.00 41.25 39.95 1rfa s ASN 74 CO 0.40 -1.94 0.00 0.61 -2.04 0.00 0.00 177.10 174.13 1rfa n GLY 75 N 5.63 1.69 3.88 0.45 0.00 -1.26 -5.11 105.19 110.47 1rfa n GLY 75 Ca 0.10 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.80 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 -0.03 3.72 0.00 1.61 -1.94 -0.83 -4.95 119.30 116.88 1rfa s MET 76 Ca 0.00 0.10 0.00 0.00 -1.71 0.00 0.00 55.69 54.08 1rfa s MET 76 Cb 0.00 -2.84 0.00 0.00 2.01 0.00 0.00 34.83 34.00 1rfa s MET 76 CO 0.00 0.45 0.00 0.43 -0.01 0.00 0.00 175.02 175.89 1rfa n SER 77 N 0.27 0.00 -0.09 3.03 7.64 -1.26 -4.68 113.62 118.53 1rfa n SER 77 Ca -0.03 0.00 -0.22 0.00 1.01 0.00 0.00 58.87 59.63 1rfa n SER 77 Cb 0.52 0.00 -0.12 0.00 -1.01 0.00 0.00 64.21 63.60 1rfa n SER 77 CO 0.00 0.00 0.00 0.18 -3.01 0.00 0.00 175.04 172.21 1rfa n LEU 78 N 0.00 1.99 -0.03 -3.43 7.99 -0.66 -3.85 117.00 119.00 1rfa n LEU 78 Ca 0.00 0.39 -0.13 0.00 -0.01 0.00 0.00 56.01 56.26 1rfa n LEU 78 Cb 0.00 -0.99 -0.09 0.00 -0.11 0.00 0.00 43.42 42.23 1rfa n LEU 78 CO 0.00 0.37 0.63 0.45 -1.51 0.00 0.00 177.39 177.33 1rfa h HIS 79 N -0.83 0.17 0.00 -1.77 3.86 -1.26 0.56 115.15 115.88 1rfa h HIS 79 Ca -0.37 -0.05 0.00 0.00 -1.16 0.00 0.00 60.37 58.79 1rfa h HIS 79 Cb 1.43 -0.04 0.00 0.00 1.06 0.00 0.00 27.41 29.86 1rfa h HIS 79 CO 0.09 0.58 0.00 -0.25 0.86 0.00 0.00 177.93 179.21 1rfa n ASP 80 N -4.74 0.64 0.02 2.45 9.92 -1.26 0.12 116.55 123.69 1rfa n ASP 80 Ca -0.07 0.58 0.11 0.00 -0.53 0.00 0.00 54.79 54.88 1rfa n ASP 80 Cb 0.29 -0.75 -0.07 0.00 -0.64 0.00 0.00 41.12 39.95 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 -2.04 2.25 -0.34 0.00 7.99 0.19 -4.12 117.00 120.93 1rfa n LEU 82 Ca 0.00 -0.05 0.20 0.00 -0.01 0.00 0.00 56.01 56.15 1rfa n LEU 82 Cb 0.47 -0.27 0.42 0.00 -0.11 0.00 0.00 43.42 43.93 1rfa n LEU 82 CO 0.43 0.60 1.16 -0.03 -1.51 0.00 0.00 177.39 178.03 1rfa h MET 83 N 0.00 0.48 -0.58 3.23 4.05 0.69 0.74 114.93 123.54 1rfa h MET 83 Ca -0.28 -0.03 0.09 0.00 -0.28 0.00 0.00 59.70 59.21 1rfa h MET 83 Cb 1.48 -0.11 -0.11 0.00 -0.80 0.00 0.00 31.60 32.06 1rfa h MET 83 CO -0.03 0.32 -0.39 -0.22 0.23 0.00 0.00 176.91 176.82 1rfa h LYS 84 N 0.49 -0.20 -0.30 0.39 1.63 -1.71 1.84 116.57 118.71 1rfa h LYS 84 Ca 0.67 0.01 0.00 0.00 -0.85 0.00 0.00 60.65 60.48 1rfa h LYS 84 Cb 1.39 0.04 0.00 0.00 -0.60 0.00 0.00 32.23 33.06 1rfa h LYS 84 CO -0.49 -0.13 0.00 0.00 -3.45 0.00 0.00 179.45 175.38 1rfa n ALA 85 N -3.15 2.46 0.00 5.00 0.00 0.25 -2.69 120.51 122.38 1rfa n ALA 85 Ca 0.03 -0.57 0.00 0.00 0.00 0.00 0.00 53.44 52.89 1rfa n ALA 85 Cb 0.35 -1.00 0.00 0.00 0.00 0.00 0.00 19.45 18.80 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 0.44 0.11 -0.31 0.00 4.77 -0.40 -4.49 117.00 117.12 1rfa n LEU 86 Ca 0.13 0.00 0.02 0.00 -0.03 0.00 0.00 56.01 56.12 1rfa n LEU 86 Cb 0.29 0.00 0.16 0.00 -2.33 0.00 0.00 43.42 41.54 1rfa n LEU 86 CO 0.09 0.02 1.19 0.50 -1.33 0.00 0.00 177.39 177.86 1rfa h LYS 87 N 0.00 0.92 0.00 3.23 3.11 0.27 1.39 116.57 125.50 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 0.20 -0.21 0.00 0.00 -1.00 0.00 0.00 32.23 31.23 1rfa h LYS 87 CO 0.00 0.61 0.00 -0.24 -2.81 0.00 0.00 179.45 177.01 1rfa h VAL 88 N 0.95 0.00 0.04 2.00 3.04 -1.65 -2.54 116.25 118.08 1rfa h VAL 88 Ca 0.39 -0.35 -0.33 0.00 -1.01 0.00 0.00 66.70 65.40 1rfa h VAL 88 Cb 0.23 1.30 -0.04 0.00 -2.01 0.00 0.00 31.29 30.77 1rfa h VAL 88 CO -0.20 0.00 -1.86 0.54 -1.01 0.00 0.00 177.57 175.05 1rfa n ARG 89 N -2.96 0.64 0.00 4.17 1.74 -0.39 -5.00 116.66 114.86 1rfa n ARG 89 Ca -0.00 0.38 0.00 0.00 -0.77 0.00 0.00 57.85 57.46 1rfa n ARG 89 Cb 0.24 -1.66 0.00 0.00 -1.02 0.00 0.00 32.46 30.01 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 1.67 1.75 3.87 -0.13 0.00 0.43 -5.08 105.19 107.70 1rfa n GLY 90 Ca -0.38 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.41 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 3.14 -0.09 0.99 1.43 0.13 -4.98 118.68 119.30 1rfa s LEU 91 Ca 0.00 -0.94 0.00 0.00 -1.03 0.00 0.00 54.13 52.16 1rfa s LEU 91 Cb 0.00 -1.70 -0.03 0.00 0.03 0.00 0.00 46.19 44.50 1rfa s LEU 91 CO 0.00 -0.79 -0.09 -1.10 0.23 0.00 0.00 176.35 174.60 1rfa s GLN 92 N -4.16 3.01 -0.01 1.70 -0.21 -1.26 -4.36 119.66 114.37 1rfa s GLN 92 Ca 0.44 -0.60 0.12 0.00 0.02 0.00 0.00 55.36 55.33 1rfa s GLN 92 Cb -0.02 -2.62 -0.17 0.00 1.00 0.00 0.00 33.01 31.21 1rfa s GLN 92 CO 0.26 0.48 0.31 -0.35 -2.12 0.00 0.00 175.29 173.87 1rfa n PRO 93 N 2.76 1.11 0.06 2.91 -0.04 -1.26 -4.35 135.00 136.19 1rfa n PRO 93 Ca -0.18 -0.08 0.11 0.00 -0.04 0.00 0.00 63.50 63.32 1rfa n PRO 93 Cb 0.53 -1.21 0.45 0.00 -0.04 0.00 0.00 33.50 33.22 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 -1.74 0.11 -0.74 0.54 4.71 -1.26 -1.38 120.64 120.89 1rfa n GLU 94 Ca -0.01 0.24 0.08 0.00 -0.01 0.00 0.00 57.16 57.46 1rfa n GLU 94 Cb 0.27 -1.68 0.36 0.00 -1.01 0.00 0.00 31.44 29.39 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 -3.73 1.88 0.17 0.00 0.00 0.23 -4.61 121.76 115.70 1rfa s ALA 97 Ca 0.37 -0.94 0.06 0.00 0.00 0.00 0.00 51.96 51.45 1rfa s ALA 97 Cb 0.06 -0.53 -0.04 0.00 0.00 0.00 0.00 23.12 22.61 1rfa s ALA 97 CO 0.16 0.42 0.12 0.54 0.00 0.00 0.00 175.76 177.00 1rfa s VAL 98 N -0.34 4.36 0.20 0.00 0.11 -1.26 0.13 120.40 123.59 1rfa s VAL 98 Ca 0.04 -1.16 -0.07 0.00 -2.93 0.00 0.00 61.98 57.85 1rfa s VAL 98 Cb -0.10 -3.23 -0.02 0.00 -1.53 0.00 0.00 36.38 31.50 1rfa s VAL 98 CO 0.01 -0.13 0.29 -0.36 -3.33 0.00 0.00 175.10 171.58 1rfa s PHE 99 N -1.78 0.63 0.06 1.54 0.40 0.14 -2.64 117.98 116.34 1rfa s PHE 99 Ca 0.31 -0.95 0.06 0.00 -0.60 0.00 0.00 56.93 55.74 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 0.23 -0.78 -0.09 0.50 0.70 0.00 0.00 175.22 175.79 1rfa s ARG 100 N -4.04 2.31 0.38 0.44 3.52 0.25 -1.22 118.95 120.59 1rfa s ARG 100 Ca 0.26 -0.90 -0.06 0.00 -0.13 0.00 0.00 55.73 54.89 1rfa s ARG 100 Cb 0.03 -2.39 0.09 0.00 -1.56 0.00 0.00 34.95 31.12 1rfa s ARG 100 CO 0.07 0.55 0.50 1.28 -0.81 0.00 0.00 175.30 176.88 1rfa n LEU 101 N 1.06 0.00 -4.21 -0.88 4.77 -0.86 0.20 117.00 117.08 1rfa n LEU 101 Ca -0.14 -0.55 -0.43 0.00 -0.03 0.00 0.00 56.01 54.86 1rfa n LEU 101 Cb 0.52 -0.39 0.00 0.00 -2.33 0.00 0.00 43.42 41.23 1rfa n LEU 101 CO 0.32 -0.89 1.77 0.00 -1.33 0.00 0.00 177.39 177.27 1rfa n LEU 102 N 0.00 5.82 0.03 2.23 -0.00 -1.26 -4.29 117.00 119.53 1rfa n LEU 102 Ca 0.06 -4.43 0.02 0.00 -0.00 0.00 0.00 56.01 51.66 1rfa n LEU 102 Cb 0.22 -1.59 -0.08 0.00 -0.00 0.00 0.00 43.42 41.97 1rfa n LEU 102 CO 0.16 0.91 -0.33 1.41 -0.00 0.00 0.00 177.39 179.54 1rfa n HIS 103 N 5.41 0.85 -2.13 1.47 8.25 -1.26 -3.98 115.22 123.83 1rfa n HIS 103 Ca 0.41 0.28 0.04 0.00 -0.26 0.00 0.00 57.72 58.18 1rfa n HIS 103 Cb 0.41 -1.02 0.05 0.00 1.12 0.00 0.00 29.99 30.54 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 -2.80 0.30 -4.35 -0.41 4.71 -1.26 -5.08 120.64 111.76 1rfa n GLU 104 Ca -0.09 -1.92 -0.20 0.00 -0.01 0.00 0.00 57.16 54.94 1rfa n GLU 104 Cb 0.79 -0.47 -0.09 0.00 -1.01 0.00 0.00 31.44 30.66 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 -0.64 1.67 -0.08 -0.32 3.76 -1.26 -5.15 115.29 113.27 1rfa s HIS 105 Ca 0.24 -1.46 -0.10 0.00 -0.15 0.00 0.00 55.06 53.59 1rfa s HIS 105 Cb 0.26 -0.85 0.02 0.00 1.11 0.00 0.00 32.58 33.13 1rfa s HIS 105 CO -0.09 -0.61 0.27 0.15 -0.85 0.00 0.00 174.74 173.61 1rfa s LYS 106 N -3.68 0.40 0.00 1.40 -0.14 -1.26 -4.72 119.74 111.74 1rfa s LYS 106 Ca 0.35 0.21 0.00 0.00 -1.36 0.00 0.00 55.97 55.17 1rfa s LYS 106 Cb 0.04 0.19 0.00 0.00 -1.68 0.00 0.00 37.83 36.37 1rfa s LYS 106 CO 0.20 -0.07 0.00 0.41 -0.76 0.00 0.00 175.35 175.13 1rfa n GLY 107 N 2.48 2.24 0.00 -3.33 0.00 -1.26 -4.84 105.19 100.48 1rfa n GLY 107 Ca -0.15 -0.40 0.00 0.00 0.00 0.00 0.00 46.02 45.47 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 -3.69 1.61 4.76 -1.26 -5.12 118.16 118.43 1rfa n LYS 108 Ca 0.00 0.00 -0.12 0.00 -2.87 0.00 0.00 58.31 55.32 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 2.50 0.90 -0.21 1.97 1.02 -1.26 -4.30 119.74 120.37 1rfa s LYS 109 Ca 0.00 -0.46 -0.20 0.00 0.02 0.00 0.00 55.97 55.33 1rfa s LYS 109 Cb 0.00 0.40 -0.03 0.00 -0.52 0.00 0.00 37.83 37.68 1rfa s LYS 109 CO 0.00 -0.31 0.58 0.00 -0.92 0.00 0.00 175.35 174.70 1rfa s ALA 110 N -2.70 3.55 0.09 5.17 0.00 0.13 -4.90 121.76 123.10 1rfa s ALA 110 Ca -0.04 -0.35 -0.09 0.00 0.00 0.00 0.00 51.96 51.49 1rfa s ALA 110 Cb -0.00 -2.91 -0.06 0.00 0.00 0.00 0.00 23.12 20.14 1rfa s ALA 110 CO -0.04 -0.54 0.39 0.50 0.00 0.00 0.00 175.76 176.06 1rfa s ARG 111 N 1.88 3.72 0.00 0.00 3.00 -1.26 0.86 118.95 127.15 1rfa s ARG 111 Ca 0.26 0.11 0.00 0.00 -1.00 0.00 0.00 55.73 55.10 1rfa s ARG 111 Cb -0.16 -2.97 0.00 0.00 0.00 0.00 0.00 34.95 31.83 1rfa s ARG 111 CO 0.10 0.54 0.00 1.28 0.00 0.00 0.00 175.30 177.22 1rfa n LEU 112 N 0.74 0.00 -3.94 -0.88 4.77 -1.08 -4.88 117.00 111.73 1rfa n LEU 112 Ca -0.07 0.00 -0.10 0.00 -0.03 0.00 0.00 56.01 55.81 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 0.43 0.00 -0.26 -0.62 -1.33 0.00 0.00 177.39 175.61 1rfa s ASP 113 N 0.70 0.18 0.00 -1.43 2.15 -1.26 -4.95 116.67 112.06 1rfa s ASP 113 Ca 0.00 -0.47 0.22 0.00 0.43 0.00 0.00 52.55 52.74 1rfa s ASP 113 Cb 0.00 0.17 1.20 0.00 -0.30 0.00 0.00 42.92 44.00 1rfa s ASP 113 CO 0.00 -0.41 1.72 0.79 -0.17 0.00 0.00 175.17 177.11 1rfa n TRP 114 N 1.19 0.00 -1.19 -5.34 5.03 -1.26 -0.06 117.44 115.81 1rfa n TRP 114 Ca -0.21 0.00 0.07 0.00 3.03 0.00 0.00 57.50 60.39 1rfa n TRP 114 Cb 0.57 -0.18 0.19 0.00 -1.03 0.00 0.00 31.31 30.86 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 -1.18 2.66 -4.78 -0.99 5.15 -1.26 -0.81 115.26 114.05 1rfa n ASN 115 Ca 0.13 -3.30 -0.34 0.00 -0.60 0.00 0.00 54.58 50.46 1rfa n ASN 115 Cb 0.14 -0.51 0.00 0.00 -0.53 0.00 0.00 39.78 38.89 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 -2.98 3.39 -0.86 -0.44 2.01 0.92 -4.49 115.64 113.20 1rfa s THR 116 Ca 0.37 0.80 -0.25 0.00 0.31 0.00 0.00 61.69 62.93 1rfa s THR 116 Cb 0.33 -3.31 0.05 0.00 0.01 0.00 0.00 72.50 69.58 1rfa s THR 116 CO 0.02 -0.25 1.32 -0.62 -0.69 0.00 0.00 174.62 174.40 1rfa s ASP 117 N -2.06 6.32 0.23 3.53 2.15 -1.26 -1.65 116.67 123.93 1rfa s ASP 117 Ca 0.70 -0.98 0.20 0.00 0.43 0.00 0.00 52.55 52.89 1rfa s ASP 117 Cb -0.21 -2.54 0.92 0.00 -0.30 0.00 0.00 42.92 40.79 1rfa s ASP 117 CO 0.29 -1.63 1.61 0.00 -0.17 0.00 0.00 175.17 175.26 1rfa n ALA 118 N 8.90 1.40 1.62 3.66 0.00 -1.25 0.19 120.51 135.03 1rfa n ALA 118 Ca 0.16 0.10 0.15 0.00 0.00 0.00 0.00 53.44 53.85 1rfa n ALA 118 Cb 0.50 -1.32 0.81 0.00 0.00 0.00 0.00 19.45 19.44 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 -1.72 2.57 0.52 0.00 0.00 -1.26 -1.40 120.51 119.21 1rfa n ALA 119 Ca 0.01 -0.17 0.09 0.00 0.00 0.00 0.00 53.44 53.36 1rfa n ALA 119 Cb 0.14 -1.49 -0.12 0.00 0.00 0.00 0.00 19.45 17.98 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 -1.16 0.82 -1.38 0.00 2.88 0.13 -3.83 113.62 111.09 1rfa n SER 120 Ca 0.18 -0.57 0.08 0.00 -1.33 0.00 0.00 58.87 57.23 1rfa n SER 120 Cb 0.20 1.32 0.32 0.00 -0.75 0.00 0.00 64.21 65.30 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 -1.69 4.51 -4.76 2.46 7.99 -0.49 -4.99 117.00 120.02 1rfa n LEU 121 Ca 0.01 -2.56 -0.41 0.00 -0.01 0.00 0.00 56.01 53.04 1rfa n LEU 121 Cb 0.35 -0.54 -0.03 0.00 -0.11 0.00 0.00 43.42 43.09 1rfa n LEU 121 CO 0.37 0.76 0.91 -0.51 -1.51 0.00 0.00 177.39 177.41 1rfa s ILE 122 N -2.04 3.12 0.00 -0.08 1.10 -0.61 -2.81 121.20 119.88 1rfa s ILE 122 Ca 0.47 1.07 0.00 0.00 -0.51 0.00 0.00 60.65 61.67 1rfa s ILE 122 Cb 0.32 -3.68 0.00 0.00 0.15 0.00 0.00 42.46 39.25 1rfa s ILE 122 CO 0.20 0.23 0.00 0.61 -2.11 0.00 0.00 174.94 173.87 1rfa n GLY 123 N 1.33 0.74 0.00 1.50 0.00 0.16 -4.66 105.19 104.25 1rfa n GLY 123 Ca 0.01 -0.69 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 -1.12 0.96 -4.91 1.61 -0.58 -1.12 -5.04 120.64 110.43 1rfa n GLU 124 Ca 0.00 0.00 -0.28 0.00 -0.42 0.00 0.00 57.16 56.46 1rfa n GLU 124 Cb 0.36 0.00 -0.17 0.00 -0.57 0.00 0.00 31.44 31.06 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 -0.08 2.35 0.36 3.49 2.02 -1.26 -2.92 118.70 122.65 1rfa s GLU 125 Ca 0.00 -0.65 0.08 0.00 0.02 0.00 0.00 54.97 54.41 1rfa s GLU 125 Cb 0.00 -1.84 -0.03 0.00 0.10 0.00 0.00 34.13 32.36 1rfa s GLU 125 CO 0.00 0.12 0.29 -0.51 0.02 0.00 0.00 175.26 175.18 1rfa s LEU 126 N 0.45 3.47 0.04 1.80 1.43 0.37 -2.03 118.68 124.22 1rfa s LEU 126 Ca -0.16 -0.63 -0.15 0.00 -1.03 0.00 0.00 54.13 52.16 1rfa s LEU 126 Cb -0.16 -2.07 0.02 0.00 0.03 0.00 0.00 46.19 44.01 1rfa s LEU 126 CO 0.06 -0.44 0.34 -1.58 0.23 0.00 0.00 176.35 174.96 1rfa s GLN 127 N -4.01 0.82 0.02 1.70 0.74 -0.35 -1.71 119.66 116.87 1rfa s GLN 127 Ca 0.43 -0.42 0.06 0.00 0.05 0.00 0.00 55.36 55.48 1rfa s GLN 127 Cb -0.04 0.36 -0.03 0.00 1.10 0.00 0.00 33.01 34.40 1rfa s GLN 127 CO 0.26 -0.27 -0.16 0.08 -0.55 0.00 0.00 175.29 174.66 1rfa s VAL 128 N -2.37 2.94 0.00 1.34 1.01 -0.45 0.27 120.40 123.15 1rfa s VAL 128 Ca -0.06 -1.06 0.00 0.00 0.00 0.00 0.00 61.98 60.86 1rfa s VAL 128 Cb -0.01 -2.23 0.00 0.00 0.00 0.00 0.00 36.38 34.13 1rfa s VAL 128 CO -0.02 0.38 0.00 -0.67 0.00 0.00 0.00 175.10 174.79 1rfa n ASP 129 N 1.67 0.44 -4.83 3.32 -0.08 0.34 -3.23 116.55 114.16 1rfa n ASP 129 Ca -0.16 -0.87 -0.29 0.00 -1.51 0.00 0.00 54.79 51.96 1rfa n ASP 129 Cb 0.52 0.00 0.10 0.00 2.34 0.00 0.00 41.12 44.08 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 -1.63 2.83 0.08 -0.67 5.36 -1.26 -0.60 117.98 122.08 1rfa s PHE 130 Ca 0.00 0.69 -0.31 0.00 -0.96 0.00 0.00 56.93 56.35 1rfa s PHE 130 Cb 0.00 -3.53 -0.09 0.00 -0.34 0.00 0.00 43.02 39.06 1rfa s PHE 130 CO 0.00 -1.83 1.79 -0.51 -1.46 0.00 0.00 175.22 173.20 1rfa s LEU 131 N -5.58 4.39 0.00 6.12 1.43 -1.25 -3.09 118.68 120.70 1rfa s LEU 131 Ca 0.63 2.62 0.31 0.00 -1.03 0.00 0.00 54.13 56.65 1rfa s LEU 131 Cb -0.10 -3.56 1.64 0.00 0.03 0.00 0.00 46.19 44.20 1rfa s LEU 131 CO 0.49 -0.97 2.08 -0.90 0.23 0.00 0.00 176.35 177.28