#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 0.01 -3.96 -3.46 4.05 -1.26 -4.87 115.26 105.77 1rfa n ASN 56 Ca 0.00 -1.62 -0.12 0.00 0.45 0.00 0.00 54.58 53.29 1rfa n ASN 56 Cb 0.00 -0.11 -0.13 0.00 1.23 0.00 0.00 39.78 40.77 1rfa n ASN 56 CO 0.00 0.00 0.00 0.42 -3.05 0.00 0.00 177.26 174.63 1rfa s THR 57 N 0.00 0.21 0.17 -0.44 -4.23 -1.26 -3.38 115.64 106.71 1rfa s THR 57 Ca 0.02 -0.54 -0.04 0.00 -1.18 0.00 0.00 61.69 59.95 1rfa s THR 57 Cb 0.02 -0.26 -0.03 0.00 1.34 0.00 0.00 72.50 73.57 1rfa s THR 57 CO -0.01 -0.21 0.19 -0.63 -0.54 0.00 0.00 174.62 173.42 1rfa s ILE 58 N -0.75 0.05 0.27 2.99 1.09 -0.41 -1.36 121.20 123.08 1rfa s ILE 58 Ca -0.07 -1.74 0.10 0.00 -1.10 0.00 0.00 60.65 57.85 1rfa s ILE 58 Cb -0.05 -2.13 -0.05 0.00 -1.06 0.00 0.00 42.46 39.17 1rfa s ILE 58 CO -0.00 -0.24 -0.06 -0.13 -0.10 0.00 0.00 174.94 174.41 1rfa s ARG 59 N -4.05 2.12 -0.13 2.79 3.00 -1.22 -0.05 118.95 121.40 1rfa s ARG 59 Ca 0.26 -1.53 -0.02 0.00 0.00 0.00 0.00 55.73 54.45 1rfa s ARG 59 Cb 0.05 -2.05 0.04 0.00 0.00 0.00 0.00 34.95 33.00 1rfa s ARG 59 CO 0.05 0.35 0.01 0.08 0.00 0.00 0.00 175.30 175.79 1rfa s VAL 60 N -2.38 0.51 0.03 3.52 1.01 0.45 0.34 120.40 123.88 1rfa s VAL 60 Ca 0.31 -0.23 -0.04 0.00 0.00 0.00 0.00 61.98 62.02 1rfa s VAL 60 Cb -0.06 -0.82 -0.04 0.00 0.00 0.00 0.00 36.38 35.46 1rfa s VAL 60 CO 0.19 0.05 0.25 -0.36 0.00 0.00 0.00 175.10 175.23 1rfa s PHE 61 N 1.89 3.54 0.48 5.22 0.40 0.43 -1.46 117.98 128.49 1rfa s PHE 61 Ca 0.02 0.44 0.02 0.00 -0.60 0.00 0.00 56.93 56.81 1rfa s PHE 61 Cb -0.14 -1.90 0.01 0.00 0.51 0.00 0.00 43.02 41.50 1rfa s PHE 61 CO -0.07 0.59 0.69 -0.51 0.70 0.00 0.00 175.22 176.62 1rfa s LEU 62 N -2.09 3.51 0.00 -0.37 2.01 0.33 -1.49 118.68 120.58 1rfa s LEU 62 Ca 0.31 0.03 0.29 0.00 0.01 0.00 0.00 54.13 54.77 1rfa s LEU 62 Cb -0.13 -2.94 1.30 0.00 0.01 0.00 0.00 46.19 44.43 1rfa s LEU 62 CO 0.20 -0.88 1.88 -2.65 1.01 0.00 0.00 176.35 175.91 1rfa n PRO 63 N -2.13 1.46 -0.30 1.29 -0.01 -1.22 -0.91 135.00 133.18 1rfa n PRO 63 Ca 0.05 -0.66 0.08 0.00 -0.01 0.00 0.00 63.50 62.95 1rfa n PRO 63 Cb 0.59 -1.48 0.23 0.00 -0.01 0.00 0.00 33.50 32.83 1rfa n PRO 63 CO 0.00 0.00 0.00 0.09 -0.01 0.00 0.00 175.50 175.58 1rfa n ASN 64 N -0.19 2.87 0.00 2.55 4.13 -1.26 -4.87 115.26 118.49 1rfa n ASN 64 Ca 0.20 -2.07 0.00 0.00 1.68 0.00 0.00 54.58 54.39 1rfa n ASN 64 Cb 0.28 -0.37 0.00 0.00 -1.54 0.00 0.00 39.78 38.15 1rfa n ASN 64 CO 0.00 0.00 0.00 0.29 0.28 0.00 0.00 177.26 177.83 1rfa n LYS 65 N 0.91 0.00 -1.70 3.52 4.76 -0.09 -5.01 118.16 120.56 1rfa n LYS 65 Ca 0.17 0.00 -0.30 0.00 -2.87 0.00 0.00 58.31 55.31 1rfa n LYS 65 Cb 0.48 -0.98 0.21 0.00 -1.84 0.00 0.00 35.03 32.90 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 -0.50 -0.04 0.22 1.97 1.11 -1.24 -4.55 119.66 116.63 1rfa s GLN 66 Ca 0.00 -0.38 -0.19 0.00 0.01 0.00 0.00 55.36 54.80 1rfa s GLN 66 Cb 0.00 -1.76 0.03 0.00 -1.01 0.00 0.00 33.01 30.27 1rfa s GLN 66 CO 0.00 -2.87 0.59 -0.98 0.01 0.00 0.00 175.29 172.04 1rfa s ARG 67 N -5.80 1.50 -0.01 2.91 3.03 -1.26 0.12 118.95 119.44 1rfa s ARG 67 Ca 0.74 -0.87 -0.30 0.00 2.03 0.00 0.00 55.73 57.34 1rfa s ARG 67 Cb -0.04 0.55 0.12 0.00 -1.03 0.00 0.00 34.95 34.54 1rfa s ARG 67 CO 0.54 -0.65 1.27 -0.08 -1.13 0.00 0.00 175.30 175.25 1rfa s THR 68 N -3.88 0.00 0.06 4.99 -1.32 -0.53 -4.93 115.64 110.03 1rfa s THR 68 Ca 0.09 -0.24 0.07 0.00 -1.21 0.00 0.00 61.69 60.41 1rfa s THR 68 Cb -0.02 -2.10 -0.03 0.00 -1.51 0.00 0.00 72.50 68.83 1rfa s THR 68 CO -0.01 0.00 -0.17 0.54 -2.21 0.00 0.00 174.62 172.77 1rfa s VAL 69 N -2.42 2.85 0.10 5.08 0.11 -1.26 -0.41 120.40 124.45 1rfa s VAL 69 Ca 0.16 -1.26 0.04 0.00 -2.93 0.00 0.00 61.98 57.99 1rfa s VAL 69 Cb 0.04 -2.23 -0.04 0.00 -1.53 0.00 0.00 36.38 32.62 1rfa s VAL 69 CO -0.03 0.27 -0.10 0.68 -3.33 0.00 0.00 175.10 172.59 1rfa s VAL 70 N -0.99 0.95 -0.03 2.04 -7.23 0.92 -4.93 120.40 111.13 1rfa s VAL 70 Ca 0.16 -1.70 0.05 0.00 -1.81 0.00 0.00 61.98 58.68 1rfa s VAL 70 Cb -0.11 -1.42 -0.01 0.00 0.56 0.00 0.00 36.38 35.40 1rfa s VAL 70 CO 0.07 -0.59 -0.18 0.20 -0.31 0.00 0.00 175.10 174.28 1rfa s ASN 71 N -2.55 2.21 -0.34 4.85 0.01 -1.26 -1.29 114.94 116.58 1rfa s ASN 71 Ca 0.07 -0.35 -0.15 0.00 -0.71 0.00 0.00 52.86 51.72 1rfa s ASN 71 Cb -0.02 -0.46 -0.01 0.00 0.41 0.00 0.00 41.25 41.17 1rfa s ASN 71 CO -0.00 0.19 0.35 0.54 -1.51 0.00 0.00 177.10 176.67 1rfa s VAL 72 N -0.18 5.18 -0.04 1.60 0.11 -1.22 -5.04 120.40 120.82 1rfa s VAL 72 Ca 0.01 0.03 -0.08 0.00 -2.93 0.00 0.00 61.98 59.01 1rfa s VAL 72 Cb -0.10 -3.81 -0.05 0.00 -1.53 0.00 0.00 36.38 30.90 1rfa s VAL 72 CO 0.01 -0.08 0.25 -0.13 -3.33 0.00 0.00 175.10 171.82 1rfa s ARG 73 N 1.99 3.59 7.23 1.54 3.00 -1.26 -4.85 118.95 130.19 1rfa s ARG 73 Ca 0.11 -0.00 0.00 0.00 0.00 0.00 0.00 55.73 55.84 1rfa s ARG 73 Cb -0.17 -3.14 0.00 0.00 0.00 0.00 0.00 34.95 31.64 1rfa s ARG 73 CO 0.12 0.70 0.00 0.09 0.00 0.00 0.00 175.30 176.21 1rfa n ASN 74 N 1.55 0.00 -4.02 0.23 3.02 -1.26 -2.79 115.26 111.99 1rfa n ASN 74 Ca -0.15 0.00 -0.33 0.00 -0.03 0.00 0.00 54.58 54.07 1rfa n ASN 74 Cb 0.53 0.00 -0.10 0.00 -0.61 0.00 0.00 39.78 39.61 1rfa n ASN 74 CO 0.00 0.00 0.00 -0.83 -2.62 0.00 0.00 177.26 173.81 1rfa s GLY 75 N -0.36 2.85 0.60 7.41 0.00 -1.26 -5.03 107.32 111.52 1rfa s GLY 75 Ca 0.00 -3.67 -0.16 0.00 0.00 0.00 0.00 44.72 40.89 1rfa s GLY 75 CO 0.00 1.12 1.07 1.06 0.00 0.00 0.00 173.10 176.35 1rfa s MET 76 N -1.02 3.23 0.40 2.90 -1.94 -1.12 -5.05 119.30 116.70 1rfa s MET 76 Ca 0.23 1.27 0.06 0.00 -1.71 0.00 0.00 55.69 55.54 1rfa s MET 76 Cb -0.11 -2.02 0.00 0.00 2.01 0.00 0.00 34.83 34.71 1rfa s MET 76 CO -0.11 -0.89 0.56 -1.12 -0.01 0.00 0.00 175.02 173.46 1rfa s SER 77 N -2.65 5.78 0.17 3.03 0.01 -1.26 -4.22 113.70 114.55 1rfa s SER 77 Ca 0.65 -0.18 0.02 0.00 1.31 0.00 0.00 55.95 57.75 1rfa s SER 77 Cb -0.17 -1.05 0.02 0.00 0.21 0.00 0.00 66.02 65.03 1rfa s SER 77 CO 0.36 -0.65 1.40 -0.07 0.41 0.00 0.00 173.24 174.69 1rfa h LEU 78 N 0.65 0.28 0.00 2.44 3.38 -1.22 2.19 115.31 123.03 1rfa h LEU 78 Ca -0.44 -0.22 0.00 0.00 0.09 0.00 0.00 57.88 57.32 1rfa h LEU 78 Cb 1.27 -0.09 0.00 0.00 0.09 0.00 0.00 40.66 41.93 1rfa h LEU 78 CO 0.51 1.00 0.00 1.41 0.09 0.00 0.00 178.44 181.45 1rfa n HIS 79 N -3.70 0.00 0.21 1.13 8.25 0.22 0.14 115.22 121.46 1rfa n HIS 79 Ca -0.04 0.00 0.06 0.00 -0.26 0.00 0.00 57.72 57.48 1rfa n HIS 79 Cb 0.78 -0.39 -0.08 0.00 1.12 0.00 0.00 29.99 31.41 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 -1.39 1.58 0.02 0.41 8.00 0.92 -3.75 116.55 122.34 1rfa n ASP 80 Ca 0.08 -0.30 0.11 0.00 0.71 0.00 0.00 54.79 55.39 1rfa n ASP 80 Cb 0.21 1.34 0.01 0.00 -0.02 0.00 0.00 41.12 42.66 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 -1.87 1.20 -0.34 0.00 4.77 0.37 -4.32 117.00 116.80 1rfa n LEU 82 Ca 0.02 -0.00 0.21 0.00 -0.03 0.00 0.00 56.01 56.21 1rfa n LEU 82 Cb 0.42 -0.00 0.44 0.00 -2.33 0.00 0.00 43.42 41.94 1rfa n LEU 82 CO 0.41 0.21 1.16 -0.03 -1.33 0.00 0.00 177.39 177.81 1rfa h MET 83 N 0.00 0.45 -0.61 3.23 4.05 -1.65 0.71 114.93 121.11 1rfa h MET 83 Ca -0.02 -0.03 0.09 0.00 -0.28 0.00 0.00 59.70 59.47 1rfa h MET 83 Cb 1.03 -0.10 -0.11 0.00 -0.80 0.00 0.00 31.60 31.62 1rfa h MET 83 CO -0.00 0.30 -0.41 -0.22 0.23 0.00 0.00 176.91 176.81 1rfa h LYS 84 N 0.47 -0.19 -0.35 0.39 1.63 -1.75 1.82 116.57 118.59 1rfa h LYS 84 Ca 0.67 0.01 0.00 0.00 -0.85 0.00 0.00 60.65 60.49 1rfa h LYS 84 Cb 1.44 0.04 0.00 0.00 -0.60 0.00 0.00 32.23 33.11 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 -3.17 2.45 0.00 5.00 0.00 0.24 -2.68 120.51 122.35 1rfa n ALA 85 Ca 0.03 -0.62 0.00 0.00 0.00 0.00 0.00 53.44 52.85 1rfa n ALA 85 Cb 0.35 -0.98 0.00 0.00 0.00 0.00 0.00 19.45 18.82 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 0.53 0.03 -0.36 0.00 4.77 -0.41 -4.48 117.00 117.08 1rfa n LEU 86 Ca 0.12 0.00 0.02 0.00 -0.03 0.00 0.00 56.01 56.12 1rfa n LEU 86 Cb 0.30 0.00 0.16 0.00 -2.33 0.00 0.00 43.42 41.55 1rfa n LEU 86 CO 0.08 0.01 1.26 0.50 -1.33 0.00 0.00 177.39 177.91 1rfa h LYS 87 N 0.00 1.14 0.00 3.23 3.11 0.27 1.39 116.57 125.72 1rfa h LYS 87 Ca 0.00 -0.07 -0.01 0.00 -2.81 0.00 0.00 60.65 57.77 1rfa h LYS 87 Cb 0.15 -0.26 -0.00 0.00 -1.00 0.00 0.00 32.23 31.12 1rfa h LYS 87 CO 0.00 0.76 -0.03 -0.24 -2.81 0.00 0.00 179.45 177.13 1rfa h VAL 88 N 1.18 0.09 0.04 2.00 3.04 -1.66 -2.70 116.25 118.24 1rfa h VAL 88 Ca 0.41 -0.46 -0.30 0.00 -1.01 0.00 0.00 66.70 65.34 1rfa h VAL 88 Cb 0.12 1.41 -0.03 0.00 -2.01 0.00 0.00 31.29 30.78 1rfa h VAL 88 CO -0.16 0.03 -1.68 0.54 -1.01 0.00 0.00 177.57 175.29 1rfa n ARG 89 N -3.16 0.64 0.00 4.17 1.74 -0.47 -5.00 116.66 114.58 1rfa n ARG 89 Ca -0.00 0.43 0.00 0.00 -0.77 0.00 0.00 57.85 57.50 1rfa n ARG 89 Cb 0.26 -1.70 0.00 0.00 -1.02 0.00 0.00 32.46 30.00 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 1.64 1.47 3.84 -0.13 0.00 0.44 -5.08 105.19 107.37 1rfa n GLY 90 Ca -0.35 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.44 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 3.16 -0.13 0.99 1.43 0.12 -4.99 118.68 119.26 1rfa s LEU 91 Ca 0.00 -0.96 -0.02 0.00 -1.03 0.00 0.00 54.13 52.12 1rfa s LEU 91 Cb 0.00 -1.67 -0.03 0.00 0.03 0.00 0.00 46.19 44.52 1rfa s LEU 91 CO 0.00 -0.71 -0.06 -1.10 0.23 0.00 0.00 176.35 174.70 1rfa s GLN 92 N -4.09 3.45 0.00 1.70 -1.52 -1.26 -4.46 119.66 113.48 1rfa s GLN 92 Ca 0.43 -0.56 0.15 0.00 -1.95 0.00 0.00 55.36 53.44 1rfa s GLN 92 Cb -0.01 -2.80 -0.16 0.00 -0.22 0.00 0.00 33.01 29.83 1rfa s GLN 92 CO 0.25 0.32 0.67 -0.35 -0.25 0.00 0.00 175.29 175.93 1rfa n PRO 93 N 3.28 1.86 0.07 2.91 -0.04 -1.26 -4.25 135.00 137.56 1rfa n PRO 93 Ca -0.18 -0.04 0.12 0.00 -0.04 0.00 0.00 63.50 63.36 1rfa n PRO 93 Cb 0.53 -1.24 0.46 0.00 -0.04 0.00 0.00 33.50 33.21 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 -1.30 0.13 -0.46 0.54 4.71 -1.26 -1.52 120.64 121.48 1rfa n GLU 94 Ca 0.03 0.24 0.08 0.00 -0.01 0.00 0.00 57.16 57.50 1rfa n GLU 94 Cb 0.25 -1.69 0.27 0.00 -1.01 0.00 0.00 31.44 29.25 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 -3.46 2.57 0.21 0.00 0.00 0.73 -4.71 121.76 117.10 1rfa s ALA 97 Ca 0.34 -1.07 0.09 0.00 0.00 0.00 0.00 51.96 51.31 1rfa s ALA 97 Cb 0.07 -0.83 -0.04 0.00 0.00 0.00 0.00 23.12 22.32 1rfa s ALA 97 CO 0.12 0.56 -0.06 0.54 0.00 0.00 0.00 175.76 176.93 1rfa s VAL 98 N -0.78 3.32 0.18 0.00 0.11 -1.26 0.93 120.40 122.91 1rfa s VAL 98 Ca 0.12 -1.72 -0.06 0.00 -2.93 0.00 0.00 61.98 57.40 1rfa s VAL 98 Cb -0.10 -2.69 -0.02 0.00 -1.53 0.00 0.00 36.38 32.03 1rfa s VAL 98 CO 0.02 -0.20 0.23 -0.36 -3.33 0.00 0.00 175.10 171.47 1rfa s PHE 99 N -1.91 0.71 0.08 1.54 0.40 0.83 -2.21 117.98 117.41 1rfa s PHE 99 Ca 0.27 -1.03 0.02 0.00 -0.60 0.00 0.00 56.93 55.59 1rfa s PHE 99 Cb -0.08 -0.24 -0.04 0.00 0.51 0.00 0.00 43.02 43.17 1rfa s PHE 99 CO 0.17 -0.71 0.12 0.50 0.70 0.00 0.00 175.22 176.00 1rfa s ARG 100 N -4.05 3.04 0.75 0.44 3.52 0.23 -1.10 118.95 121.78 1rfa s ARG 100 Ca 0.26 -0.63 -0.12 0.00 -0.13 0.00 0.00 55.73 55.11 1rfa s ARG 100 Cb 0.04 -2.81 0.17 0.00 -1.56 0.00 0.00 34.95 30.79 1rfa s ARG 100 CO 0.06 0.58 1.03 1.28 -0.81 0.00 0.00 175.30 177.43 1rfa n LEU 101 N 0.38 0.00 -4.56 -0.88 4.77 0.82 0.21 117.00 117.74 1rfa n LEU 101 Ca -0.08 -1.18 -0.42 0.00 -0.03 0.00 0.00 56.01 54.31 1rfa n LEU 101 Cb 0.52 -0.78 -0.07 0.00 -2.33 0.00 0.00 43.42 40.76 1rfa n LEU 101 CO 0.46 -1.22 0.31 -1.48 -1.33 0.00 0.00 177.39 174.13 1rfa s LEU 102 N 0.00 4.30 -0.01 2.23 2.34 -1.26 -4.37 118.68 121.91 1rfa s LEU 102 Ca 0.59 0.06 0.07 0.00 0.06 0.00 0.00 54.13 54.91 1rfa s LEU 102 Cb -0.02 -2.69 0.20 0.00 -0.56 0.00 0.00 46.19 43.13 1rfa s LEU 102 CO 0.41 -0.54 1.16 1.41 -1.06 0.00 0.00 176.35 177.73 1rfa n HIS 103 N 5.90 0.30 -1.83 3.48 8.25 -1.26 -4.61 115.22 125.45 1rfa n HIS 103 Ca -0.03 -0.54 -0.04 0.00 -0.26 0.00 0.00 57.72 56.85 1rfa n HIS 103 Cb 0.49 -0.06 -0.04 0.00 1.12 0.00 0.00 29.99 31.50 1rfa n HIS 103 CO 0.00 0.00 0.00 -0.85 0.64 0.00 0.00 176.34 176.13 1rfa n GLU 104 N 0.00 0.02 -4.27 -0.41 0.00 -1.26 -5.14 120.64 109.59 1rfa n GLU 104 Ca 0.08 -0.63 -0.16 0.00 0.00 0.00 0.00 57.16 56.45 1rfa n GLU 104 Cb 0.39 0.50 -0.09 0.00 0.00 0.00 0.00 31.44 32.24 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 0.00 1.48 -0.15 -1.84 3.76 -1.26 -5.06 115.29 112.22 1rfa s HIS 105 Ca 0.00 -1.46 0.01 0.00 -0.15 0.00 0.00 55.06 53.46 1rfa s HIS 105 Cb 0.01 -0.70 -0.23 0.00 1.11 0.00 0.00 32.58 32.76 1rfa s HIS 105 CO -0.00 -0.67 0.22 1.17 -0.85 0.00 0.00 174.74 174.60 1rfa n LYS 106 N -0.48 0.70 -2.68 1.40 3.00 -1.26 -4.81 118.16 114.04 1rfa n LYS 106 Ca 0.03 0.21 -0.05 0.00 -0.00 0.00 0.00 58.31 58.51 1rfa n LYS 106 Cb 0.64 -1.65 0.09 0.00 0.00 0.00 0.00 35.03 34.11 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 1.97 -1.40 3.39 3.14 0.00 -1.26 -5.12 105.19 105.91 1rfa n GLY 107 Ca -0.33 0.84 -0.11 0.00 0.00 0.00 0.00 46.02 46.41 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 0.15 0.53 -0.05 1.61 1.02 -1.26 -5.14 119.74 116.59 1rfa s LYS 108 Ca 0.25 0.84 -0.10 0.00 0.02 0.00 0.00 55.97 56.97 1rfa s LYS 108 Cb 0.24 0.13 -0.05 0.00 -0.52 0.00 0.00 37.83 37.63 1rfa s LYS 108 CO -0.13 -0.12 0.27 0.15 -0.92 0.00 0.00 175.35 174.59 1rfa s LYS 109 N 0.98 3.65 -0.25 1.68 1.02 -1.26 -4.06 119.74 121.50 1rfa s LYS 109 Ca -0.06 0.10 -0.26 0.00 0.02 0.00 0.00 55.97 55.77 1rfa s LYS 109 Cb -0.06 -3.19 0.00 0.00 -0.52 0.00 0.00 37.83 34.07 1rfa s LYS 109 CO -0.09 0.73 0.89 0.00 -0.92 0.00 0.00 175.35 175.96 1rfa s ALA 110 N -1.08 3.64 0.17 5.17 0.00 0.13 -4.88 121.76 124.90 1rfa s ALA 110 Ca 0.20 -0.08 -0.11 0.00 0.00 0.00 0.00 51.96 51.96 1rfa s ALA 110 Cb -0.14 -3.37 -0.07 0.00 0.00 0.00 0.00 23.12 19.54 1rfa s ALA 110 CO 0.09 -1.01 0.52 0.50 0.00 0.00 0.00 175.76 175.86 1rfa s ARG 111 N 2.99 3.87 0.22 0.00 3.00 -1.26 0.78 118.95 128.54 1rfa s ARG 111 Ca 0.37 0.34 0.01 0.00 -1.00 0.00 0.00 55.73 55.45 1rfa s ARG 111 Cb -0.15 -2.83 -0.00 0.00 0.00 0.00 0.00 34.95 31.97 1rfa s ARG 111 CO 0.08 0.43 0.03 1.28 0.00 0.00 0.00 175.30 177.11 1rfa n LEU 112 N 0.44 0.00 -4.80 -0.88 4.77 -0.94 -4.88 117.00 110.71 1rfa n LEU 112 Ca -0.03 -1.46 -0.23 0.00 -0.03 0.00 0.00 56.01 54.25 1rfa n LEU 112 Cb 0.52 0.29 -0.05 0.00 -2.33 0.00 0.00 43.42 41.85 1rfa n LEU 112 CO 0.44 -0.21 -0.20 -0.62 -1.33 0.00 0.00 177.39 175.46 1rfa s ASP 113 N -2.24 5.40 0.01 -1.43 2.15 -1.26 -4.76 116.67 114.53 1rfa s ASP 113 Ca 0.04 -0.28 0.28 0.00 0.43 0.00 0.00 52.55 53.02 1rfa s ASP 113 Cb 0.00 -1.34 1.17 0.00 -0.30 0.00 0.00 42.92 42.46 1rfa s ASP 113 CO 0.03 -0.01 1.89 0.79 -0.17 0.00 0.00 175.17 177.69 1rfa n TRP 114 N -0.99 0.03 -1.00 -5.34 5.03 -1.26 -2.29 117.44 111.62 1rfa n TRP 114 Ca -0.08 0.01 0.07 0.00 3.03 0.00 0.00 57.50 60.53 1rfa n TRP 114 Cb 0.57 -0.52 0.30 0.00 -1.03 0.00 0.00 31.31 30.64 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 -1.53 4.41 -4.80 -0.99 5.15 -1.26 0.69 115.26 116.92 1rfa n ASN 115 Ca 0.07 -3.05 -0.36 0.00 -0.60 0.00 0.00 54.58 50.64 1rfa n ASN 115 Cb 0.33 -0.60 -0.06 0.00 -0.53 0.00 0.00 39.78 38.91 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 -2.85 4.38 -0.77 -0.44 2.01 -0.97 -4.42 115.64 112.58 1rfa s THR 116 Ca 0.47 1.55 -0.26 0.00 0.31 0.00 0.00 61.69 63.76 1rfa s THR 116 Cb 0.37 -3.88 0.01 0.00 0.01 0.00 0.00 72.50 69.01 1rfa s THR 116 CO 0.11 0.08 1.60 -0.62 -0.69 0.00 0.00 174.62 175.09 1rfa s ASP 117 N -1.75 5.77 0.03 3.53 2.15 -1.26 -1.89 116.67 123.25 1rfa s ASP 117 Ca 0.50 -0.39 0.15 0.00 0.43 0.00 0.00 52.55 53.23 1rfa s ASP 117 Cb -0.16 -2.55 0.62 0.00 -0.30 0.00 0.00 42.92 40.53 1rfa s ASP 117 CO 0.21 -2.10 1.46 0.00 -0.17 0.00 0.00 175.17 174.57 1rfa n ALA 118 N 11.09 1.61 1.76 3.66 0.00 -1.26 0.11 120.51 137.48 1rfa n ALA 118 Ca 0.19 -0.03 0.15 0.00 0.00 0.00 0.00 53.44 53.76 1rfa n ALA 118 Cb 0.50 -1.24 0.85 0.00 0.00 0.00 0.00 19.45 19.56 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 -1.53 2.63 0.50 0.00 0.00 -1.26 -1.47 120.51 119.37 1rfa n ALA 119 Ca 0.03 -0.20 0.08 0.00 0.00 0.00 0.00 53.44 53.35 1rfa n ALA 119 Cb 0.16 -1.48 -0.11 0.00 0.00 0.00 0.00 19.45 18.02 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 -1.03 0.88 -1.27 0.00 7.64 0.12 -3.87 113.62 116.09 1rfa n SER 120 Ca 0.20 -0.57 0.08 0.00 1.01 0.00 0.00 58.87 59.59 1rfa n SER 120 Cb 0.17 1.29 0.31 0.00 -1.01 0.00 0.00 64.21 64.96 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 -1.65 4.44 -4.76 -3.43 7.99 -0.54 -5.00 117.00 114.04 1rfa n LEU 121 Ca 0.01 -2.74 -0.41 0.00 -0.01 0.00 0.00 56.01 52.87 1rfa n LEU 121 Cb 0.33 -0.55 -0.02 0.00 -0.11 0.00 0.00 43.42 43.07 1rfa n LEU 121 CO 0.35 0.70 0.97 -0.51 -1.51 0.00 0.00 177.39 177.39 1rfa s ILE 122 N -2.35 2.85 0.00 -0.08 1.10 -0.59 -2.47 121.20 119.67 1rfa s ILE 122 Ca 0.45 0.83 0.00 0.00 -0.51 0.00 0.00 60.65 61.42 1rfa s ILE 122 Cb 0.33 -3.53 0.00 0.00 0.15 0.00 0.00 42.46 39.41 1rfa s ILE 122 CO 0.15 0.18 0.00 0.61 -2.11 0.00 0.00 174.94 173.78 1rfa n GLY 123 N 1.12 0.79 0.00 1.50 0.00 -0.47 -4.71 105.19 103.43 1rfa n GLY 123 Ca 0.01 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.03 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 -2.33 3.74 -4.27 1.61 -0.58 -1.03 -5.03 120.64 112.74 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 1.77 0.76 0.44 3.49 2.02 -1.26 -3.43 118.70 122.50 1rfa s GLU 125 Ca 0.00 -0.22 0.07 0.00 0.02 0.00 0.00 54.97 54.84 1rfa s GLU 125 Cb 0.00 -0.74 -0.03 0.00 0.10 0.00 0.00 34.13 33.46 1rfa s GLU 125 CO 0.00 0.07 0.25 -0.51 0.02 0.00 0.00 175.26 175.09 1rfa s LEU 126 N 0.29 3.07 0.13 1.80 1.02 0.15 -0.13 118.68 125.01 1rfa s LEU 126 Ca -0.04 -1.06 -0.18 0.00 0.02 0.00 0.00 54.13 52.87 1rfa s LEU 126 Cb -0.08 -1.49 0.04 0.00 0.02 0.00 0.00 46.19 44.68 1rfa s LEU 126 CO 0.00 -0.67 0.46 -1.58 0.02 0.00 0.00 176.35 174.57 1rfa s GLN 127 N -4.01 1.12 0.11 1.70 0.74 -0.26 -0.43 119.66 118.62 1rfa s GLN 127 Ca 0.40 -0.63 0.10 0.00 0.05 0.00 0.00 55.36 55.29 1rfa s GLN 127 Cb 0.01 0.50 -0.04 0.00 1.10 0.00 0.00 33.01 34.59 1rfa s GLN 127 CO 0.23 -0.45 -0.25 0.08 -0.55 0.00 0.00 175.29 174.34 1rfa s VAL 128 N -3.73 2.33 0.14 1.34 1.01 -0.56 -0.12 120.40 120.82 1rfa s VAL 128 Ca 0.02 -1.63 0.01 0.00 0.00 0.00 0.00 61.98 60.38 1rfa s VAL 128 Cb 0.01 -2.01 -0.00 0.00 0.00 0.00 0.00 36.38 34.38 1rfa s VAL 128 CO -0.12 0.16 0.16 -0.67 0.00 0.00 0.00 175.10 174.63 1rfa n ASP 129 N 1.10 -0.44 -4.89 3.32 -0.08 0.27 -3.40 116.55 112.43 1rfa n ASP 129 Ca -0.17 -1.82 -0.29 0.00 -1.51 0.00 0.00 54.79 51.00 1rfa n ASP 129 Cb 0.53 0.88 0.07 0.00 2.34 0.00 0.00 41.12 44.93 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 -3.47 3.12 -0.86 -0.67 -0.12 -1.26 -0.19 117.98 114.53 1rfa s PHE 130 Ca 0.14 0.88 -0.25 0.00 -0.05 0.00 0.00 56.93 57.64 1rfa s PHE 130 Cb 0.00 -3.29 0.03 0.00 -0.63 0.00 0.00 43.02 39.13 1rfa s PHE 130 CO 0.10 -1.49 1.41 -0.51 -0.05 0.00 0.00 175.22 174.67 1rfa s LEU 131 N -5.47 3.31 0.00 -1.99 1.43 -1.25 -3.75 118.68 110.96 1rfa s LEU 131 Ca 0.60 -0.86 0.00 0.00 -1.03 0.00 0.00 54.13 52.84 1rfa s LEU 131 Cb -0.11 -2.56 0.00 0.00 0.03 0.00 0.00 46.19 43.55 1rfa s LEU 131 CO 0.50 -1.76 0.00 0.47 0.23 0.00 0.00 176.35 175.79