#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 0.03 -3.95 -3.46 5.15 -1.26 -4.80 115.26 106.97 1rfa n ASN 56 Ca 0.00 -1.74 -0.17 0.00 -0.60 0.00 0.00 54.58 52.08 1rfa n ASN 56 Cb 0.00 -0.07 -0.15 0.00 -0.53 0.00 0.00 39.78 39.03 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 0.44 0.05 -0.44 -4.23 -1.26 -2.76 115.64 107.43 1rfa s THR 57 Ca 0.08 -0.21 -0.01 0.00 -1.18 0.00 0.00 61.69 60.37 1rfa s THR 57 Cb 0.09 -0.39 -0.04 0.00 1.34 0.00 0.00 72.50 73.50 1rfa s THR 57 CO -0.04 0.14 -0.03 -0.63 -0.54 0.00 0.00 174.62 173.51 1rfa s ILE 58 N 0.03 0.24 0.07 2.99 1.09 -0.52 -0.54 121.20 124.57 1rfa s ILE 58 Ca 0.00 -1.74 0.06 0.00 -1.10 0.00 0.00 60.65 57.87 1rfa s ILE 58 Cb -0.04 -1.42 -0.04 0.00 -1.06 0.00 0.00 42.46 39.90 1rfa s ILE 58 CO -0.00 -0.95 -0.09 -0.13 -0.10 0.00 0.00 174.94 173.67 1rfa s ARG 59 N -3.70 2.27 -0.23 2.79 0.52 -1.16 -0.40 118.95 119.04 1rfa s ARG 59 Ca 0.05 -0.93 0.01 0.00 -0.52 0.00 0.00 55.73 54.35 1rfa s ARG 59 Cb 0.06 -2.36 0.05 0.00 0.52 0.00 0.00 34.95 33.22 1rfa s ARG 59 CO -0.09 0.54 -0.09 0.08 0.02 0.00 0.00 175.30 175.76 1rfa s VAL 60 N -1.14 1.75 0.02 3.52 1.01 0.10 0.77 120.40 126.42 1rfa s VAL 60 Ca 0.20 -1.24 -0.08 0.00 0.00 0.00 0.00 61.98 60.87 1rfa s VAL 60 Cb -0.11 -1.89 -0.05 0.00 0.00 0.00 0.00 36.38 34.33 1rfa s VAL 60 CO 0.12 0.04 0.30 -0.36 0.00 0.00 0.00 175.10 175.20 1rfa s PHE 61 N 1.32 3.59 0.51 5.22 0.40 0.13 -0.82 117.98 128.33 1rfa s PHE 61 Ca -0.05 0.64 0.09 0.00 -0.60 0.00 0.00 56.93 57.02 1rfa s PHE 61 Cb -0.18 -2.04 0.06 0.00 0.51 0.00 0.00 43.02 41.36 1rfa s PHE 61 CO -0.07 0.59 0.69 -0.51 0.70 0.00 0.00 175.22 176.63 1rfa s LEU 62 N -1.75 3.30 0.00 -0.37 1.02 0.35 0.01 118.68 121.24 1rfa s LEU 62 Ca 0.28 -0.70 0.27 0.00 0.02 0.00 0.00 54.13 54.01 1rfa s LEU 62 Cb -0.13 -2.01 0.96 0.00 0.02 0.00 0.00 46.19 45.03 1rfa s LEU 62 CO 0.16 -1.11 1.71 -2.65 0.02 0.00 0.00 176.35 174.48 1rfa n PRO 63 N -2.07 0.42 -0.18 1.29 -0.02 -1.16 -1.01 135.00 132.27 1rfa n PRO 63 Ca 0.12 -0.18 0.05 0.00 -2.02 0.00 0.00 63.50 61.47 1rfa n PRO 63 Cb 0.61 -1.50 0.14 0.00 -0.02 0.00 0.00 33.50 32.73 1rfa n PRO 63 CO 0.00 0.00 0.00 0.09 1.98 0.00 0.00 175.50 177.57 1rfa n ASN 64 N -1.13 1.77 0.00 2.55 4.13 -1.26 -4.82 115.26 116.49 1rfa n ASN 64 Ca 0.11 -2.05 0.00 0.00 1.68 0.00 0.00 54.58 54.32 1rfa n ASN 64 Cb 0.31 -0.25 0.00 0.00 -1.54 0.00 0.00 39.78 38.31 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 0.36 0.00 -0.97 3.52 4.76 -0.18 -4.99 118.16 120.67 1rfa n LYS 65 Ca 0.10 0.00 -0.09 0.00 -2.87 0.00 0.00 58.31 55.46 1rfa n LYS 65 Cb 0.30 -2.82 0.05 0.00 -1.84 0.00 0.00 35.03 30.72 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 -2.68 0.01 -3.76 1.97 1.13 -1.24 -4.63 117.38 108.18 1rfa n GLN 66 Ca 0.00 -0.79 -0.03 0.00 -1.94 0.00 0.00 57.00 54.23 1rfa n GLN 66 Cb 0.00 -0.33 -0.01 0.00 0.11 0.00 0.00 30.24 30.02 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 -3.59 1.19 0.02 -1.09 3.03 -1.26 0.13 118.95 117.39 1rfa s ARG 67 Ca 0.23 -0.67 -0.29 0.00 2.03 0.00 0.00 55.73 57.03 1rfa s ARG 67 Cb -0.01 0.40 0.10 0.00 -1.03 0.00 0.00 34.95 34.41 1rfa s ARG 67 CO 0.16 -0.55 1.15 -0.08 -1.13 0.00 0.00 175.30 174.85 1rfa s THR 68 N -3.13 0.00 -0.02 4.99 -1.32 0.00 -4.91 115.64 111.24 1rfa s THR 68 Ca 0.13 -0.33 0.02 0.00 -1.21 0.00 0.00 61.69 60.31 1rfa s THR 68 Cb -0.01 -1.82 -0.03 0.00 -1.51 0.00 0.00 72.50 69.12 1rfa s THR 68 CO 0.03 0.00 -0.05 0.54 -2.21 0.00 0.00 174.62 172.93 1rfa s VAL 69 N -2.75 3.83 0.14 5.08 0.11 -1.26 0.01 120.40 125.56 1rfa s VAL 69 Ca 0.12 -0.62 0.06 0.00 -2.93 0.00 0.00 61.98 58.61 1rfa s VAL 69 Cb 0.02 -2.65 -0.04 0.00 -1.53 0.00 0.00 36.38 32.18 1rfa s VAL 69 CO -0.02 0.45 -0.14 0.68 -3.33 0.00 0.00 175.10 172.74 1rfa s VAL 70 N -0.97 1.44 0.21 2.04 -7.23 0.47 -4.94 120.40 111.41 1rfa s VAL 70 Ca 0.16 -1.85 0.11 0.00 -1.81 0.00 0.00 61.98 58.60 1rfa s VAL 70 Cb -0.11 -1.68 -0.04 0.00 0.56 0.00 0.00 36.38 35.11 1rfa s VAL 70 CO 0.06 -0.46 -0.21 0.20 -0.31 0.00 0.00 175.10 174.39 1rfa s ASN 71 N -2.67 3.61 -0.14 4.85 0.01 -1.26 -1.44 114.94 117.90 1rfa s ASN 71 Ca 0.12 -0.84 -0.07 0.00 -0.71 0.00 0.00 52.86 51.36 1rfa s ASN 71 Cb -0.04 -0.35 -0.04 0.00 0.41 0.00 0.00 41.25 41.23 1rfa s ASN 71 CO 0.04 0.10 0.12 -0.69 -1.51 0.00 0.00 177.10 175.16 1rfa s VAL 72 N -1.82 5.37 0.00 1.60 1.01 -1.11 -4.94 120.40 120.50 1rfa s VAL 72 Ca 0.23 0.16 0.00 0.00 0.00 0.00 0.00 61.98 62.37 1rfa s VAL 72 Cb -0.08 -3.36 0.00 0.00 0.00 0.00 0.00 36.38 32.94 1rfa s VAL 72 CO 0.12 0.58 0.00 -1.14 0.00 0.00 0.00 175.10 174.65 1rfa n ARG 73 N 2.38 0.00 0.00 2.72 3.00 -1.26 -4.83 116.66 118.67 1rfa n ARG 73 Ca -0.19 0.00 0.14 0.00 -0.00 0.00 0.00 57.85 57.80 1rfa n ARG 73 Cb 0.54 0.00 0.52 0.00 0.00 0.00 0.00 32.46 33.53 1rfa n ARG 73 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.63 177.72 1rfa n ASN 74 N 0.00 0.24 0.00 6.15 4.13 -1.26 -4.72 115.26 119.80 1rfa n ASN 74 Ca 0.00 0.02 0.00 0.00 1.68 0.00 0.00 54.58 56.28 1rfa n ASN 74 Cb 0.00 -0.19 0.00 0.00 -1.54 0.00 0.00 39.78 38.05 1rfa n ASN 74 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 1rfa n GLY 75 N 1.44 -0.49 3.82 7.41 0.00 -1.26 -5.14 105.19 110.97 1rfa n GLY 75 Ca 0.09 0.26 -0.33 0.00 0.00 0.00 0.00 46.02 46.03 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 4.24 0.43 1.61 -1.94 -1.26 -5.06 119.30 117.32 1rfa s MET 76 Ca 0.00 1.08 0.05 0.00 -1.71 0.00 0.00 55.69 55.11 1rfa s MET 76 Cb 0.00 -2.30 0.01 0.00 2.01 0.00 0.00 34.83 34.55 1rfa s MET 76 CO 0.00 0.04 0.60 -1.12 -0.01 0.00 0.00 175.02 174.53 1rfa s SER 77 N -2.11 5.69 0.19 3.03 0.01 -1.26 -4.04 113.70 115.21 1rfa s SER 77 Ca 0.59 -0.16 -0.16 0.00 1.31 0.00 0.00 55.95 57.53 1rfa s SER 77 Cb -0.10 -1.00 0.16 0.00 0.21 0.00 0.00 66.02 65.29 1rfa s SER 77 CO 0.15 -0.74 1.63 -0.07 0.41 0.00 0.00 173.24 174.62 1rfa h LEU 78 N 0.56 -0.63 0.43 2.44 -0.00 -1.84 1.86 115.31 118.12 1rfa h LEU 78 Ca -0.43 0.17 -0.02 0.00 -0.00 0.00 0.00 57.88 57.60 1rfa h LEU 78 Cb 1.27 0.38 0.00 0.00 -0.00 0.00 0.00 40.66 42.31 1rfa h LEU 78 CO 0.51 -0.21 -0.23 0.45 -0.00 0.00 0.00 178.44 178.96 1rfa h HIS 79 N -0.05 -0.59 0.00 1.13 3.86 -1.04 0.41 115.15 118.87 1rfa h HIS 79 Ca 0.25 -0.01 -0.03 0.00 -1.16 0.00 0.00 60.37 59.42 1rfa h HIS 79 Cb 0.44 0.20 -0.00 0.00 1.06 0.00 0.00 27.41 29.10 1rfa h HIS 79 CO -0.48 -0.36 -0.13 -0.44 0.86 0.00 0.00 177.93 177.38 1rfa h ASP 80 N -0.61 0.00 0.47 2.45 3.32 -0.70 1.02 116.42 122.38 1rfa h ASP 80 Ca -0.06 0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.99 1rfa h ASP 80 Cb 0.48 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.03 1rfa h ASP 80 CO 0.08 0.13 -0.91 0.00 -1.72 0.00 0.00 179.24 176.82 1rfa n LEU 82 N -1.90 2.16 -0.32 0.00 7.99 0.14 -4.18 117.00 120.89 1rfa n LEU 82 Ca 0.03 -0.04 0.20 0.00 -0.01 0.00 0.00 56.01 56.19 1rfa n LEU 82 Cb 0.42 -0.22 0.40 0.00 -0.11 0.00 0.00 43.42 43.90 1rfa n LEU 82 CO 0.39 0.56 0.96 -0.03 -1.51 0.00 0.00 177.39 177.76 1rfa h MET 83 N 0.00 0.10 -0.71 3.23 1.85 0.95 0.88 114.93 121.23 1rfa h MET 83 Ca -0.25 -0.01 0.08 0.00 -0.61 0.00 0.00 59.70 58.91 1rfa h MET 83 Cb 1.43 -0.02 -0.11 0.00 0.43 0.00 0.00 31.60 33.33 1rfa h MET 83 CO -0.02 0.07 -0.55 -0.22 -0.40 0.00 0.00 176.91 175.79 1rfa h LYS 84 N 0.10 -0.18 -0.59 0.39 1.63 -1.70 1.74 116.57 117.96 1rfa h LYS 84 Ca 0.68 0.01 0.00 0.00 -0.85 0.00 0.00 60.65 60.49 1rfa h LYS 84 Cb 1.55 0.04 0.00 0.00 -0.60 0.00 0.00 32.23 33.22 1rfa h LYS 84 CO -0.76 -0.12 0.00 0.00 -3.45 0.00 0.00 179.45 175.11 1rfa n ALA 85 N -3.18 2.81 0.00 5.00 0.00 0.30 -2.44 120.51 122.99 1rfa n ALA 85 Ca 0.00 -0.71 0.00 0.00 0.00 0.00 0.00 53.44 52.73 1rfa n ALA 85 Cb 0.31 -1.02 0.00 0.00 0.00 0.00 0.00 19.45 18.74 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 0.35 0.01 -0.30 0.00 4.77 -0.44 -4.59 117.00 116.79 1rfa n LEU 86 Ca 0.12 0.00 -0.03 0.00 -0.03 0.00 0.00 56.01 56.07 1rfa n LEU 86 Cb 0.49 0.00 0.09 0.00 -2.33 0.00 0.00 43.42 41.67 1rfa n LEU 86 CO 0.11 0.00 1.21 0.50 -1.33 0.00 0.00 177.39 177.89 1rfa h LYS 87 N 0.00 1.05 -0.06 3.23 3.11 0.26 1.33 116.57 125.48 1rfa h LYS 87 Ca 0.00 -0.06 0.02 0.00 -2.81 0.00 0.00 60.65 57.79 1rfa h LYS 87 Cb 0.02 -0.24 -0.00 0.00 -1.00 0.00 0.00 32.23 31.01 1rfa h LYS 87 CO 0.00 0.69 0.04 0.28 -2.81 0.00 0.00 179.45 177.66 1rfa h VAL 88 N 1.08 0.96 0.04 2.00 2.07 -1.64 -2.89 116.25 117.87 1rfa h VAL 88 Ca 0.32 0.00 -0.37 0.00 0.82 0.00 0.00 66.70 67.46 1rfa h VAL 88 Cb -0.06 0.97 -0.05 0.00 -1.52 0.00 0.00 31.29 30.62 1rfa h VAL 88 CO -0.09 0.00 -2.25 0.54 0.02 0.00 0.00 177.57 175.80 1rfa n ARG 89 N -4.50 0.69 0.00 1.57 1.74 -0.52 -4.99 116.66 110.65 1rfa n ARG 89 Ca -0.02 0.18 0.00 0.00 -0.77 0.00 0.00 57.85 57.25 1rfa n ARG 89 Cb 0.15 -1.61 0.00 0.00 -1.02 0.00 0.00 32.46 29.98 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 2.06 1.49 3.91 -0.13 0.00 0.41 -5.08 105.19 107.85 1rfa n GLY 90 Ca -0.37 0.00 -0.24 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 2.93 -0.14 0.99 1.43 0.14 -5.00 118.68 119.02 1rfa s LEU 91 Ca 0.00 -1.07 -0.00 0.00 -1.03 0.00 0.00 54.13 52.02 1rfa s LEU 91 Cb 0.00 -1.45 -0.01 0.00 0.03 0.00 0.00 46.19 44.76 1rfa s LEU 91 CO 0.00 -1.02 -0.13 -1.10 0.23 0.00 0.00 176.35 174.33 1rfa s GLN 92 N -4.29 3.33 0.02 1.70 -1.52 -1.26 -4.55 119.66 113.10 1rfa s GLN 92 Ca 0.41 -0.70 0.21 0.00 -1.95 0.00 0.00 55.36 53.34 1rfa s GLN 92 Cb -0.03 -2.66 -0.23 0.00 -0.22 0.00 0.00 33.01 29.87 1rfa s GLN 92 CO 0.25 0.12 0.61 -2.30 -0.25 0.00 0.00 175.29 173.73 1rfa n PRO 93 N 3.79 0.65 0.00 2.91 -0.02 -1.26 -3.84 135.00 137.22 1rfa n PRO 93 Ca -0.18 -0.08 0.12 0.00 -2.02 0.00 0.00 63.50 61.34 1rfa n PRO 93 Cb 0.52 -1.62 0.55 0.00 -0.02 0.00 0.00 33.50 32.93 1rfa n PRO 93 CO 0.00 0.00 0.00 0.39 1.98 0.00 0.00 175.50 177.87 1rfa n GLU 94 N -2.44 0.06 -0.51 -0.52 -0.58 -1.26 -0.84 120.64 114.55 1rfa n GLU 94 Ca -0.06 0.07 0.09 0.00 -0.42 0.00 0.00 57.16 56.85 1rfa n GLU 94 Cb 0.63 -1.50 0.32 0.00 -0.57 0.00 0.00 31.44 30.32 1rfa n GLU 94 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 1rfa s ALA 97 N -3.54 2.05 0.14 0.00 0.00 -0.18 -4.51 121.76 115.71 1rfa s ALA 97 Ca 0.37 -1.01 0.03 0.00 0.00 0.00 0.00 51.96 51.35 1rfa s ALA 97 Cb 0.08 -0.61 -0.04 0.00 0.00 0.00 0.00 23.12 22.56 1rfa s ALA 97 CO 0.15 0.42 0.22 0.54 0.00 0.00 0.00 175.76 177.08 1rfa s VAL 98 N -0.25 5.03 0.15 0.00 0.11 -1.26 0.85 120.40 125.03 1rfa s VAL 98 Ca -0.00 -0.77 -0.07 0.00 -2.93 0.00 0.00 61.98 58.21 1rfa s VAL 98 Cb -0.12 -3.56 -0.01 0.00 -1.53 0.00 0.00 36.38 31.16 1rfa s VAL 98 CO 0.02 -0.05 0.24 -0.36 -3.33 0.00 0.00 175.10 171.62 1rfa s PHE 99 N -1.69 0.46 0.05 1.54 0.40 0.18 -2.80 117.98 116.14 1rfa s PHE 99 Ca 0.33 -0.84 0.02 0.00 -0.60 0.00 0.00 56.93 55.85 1rfa s PHE 99 Cb -0.11 -0.13 -0.04 0.00 0.51 0.00 0.00 43.02 43.25 1rfa s PHE 99 CO 0.26 -0.67 0.07 0.50 0.70 0.00 0.00 175.22 176.09 1rfa s ARG 100 N -3.97 2.92 0.87 0.44 3.52 0.26 -0.45 118.95 122.52 1rfa s ARG 100 Ca 0.18 -0.63 -0.13 0.00 -0.13 0.00 0.00 55.73 55.02 1rfa s ARG 100 Cb 0.04 -2.75 0.12 0.00 -1.56 0.00 0.00 34.95 30.79 1rfa s ARG 100 CO -0.00 0.59 1.18 -0.51 -0.81 0.00 0.00 175.30 175.75 1rfa s LEU 101 N -2.15 2.34 -0.81 -0.88 1.02 -1.17 0.32 118.68 117.36 1rfa s LEU 101 Ca 0.27 0.77 -0.20 0.00 0.02 0.00 0.00 54.13 54.98 1rfa s LEU 101 Cb -0.12 -3.14 0.11 0.00 0.02 0.00 0.00 46.19 43.06 1rfa s LEU 101 CO 0.19 -2.24 1.04 -1.48 0.02 0.00 0.00 176.35 173.88 1rfa s LEU 102 N -5.78 4.82 -0.01 1.79 0.05 -1.26 -4.43 118.68 113.86 1rfa s LEU 102 Ca 0.64 -1.62 0.20 0.00 0.05 0.00 0.00 54.13 53.41 1rfa s LEU 102 Cb -0.11 -2.40 -0.26 0.00 -2.05 0.00 0.00 46.19 41.37 1rfa s LEU 102 CO 0.51 -1.21 0.70 1.41 -0.55 0.00 0.00 176.35 177.21 1rfa n HIS 103 N 6.98 0.00 -2.16 3.48 8.25 -1.26 -4.28 115.22 126.23 1rfa n HIS 103 Ca 0.12 0.00 0.02 0.00 -0.26 0.00 0.00 57.72 57.60 1rfa n HIS 103 Cb 0.47 -0.19 0.02 0.00 1.12 0.00 0.00 29.99 31.41 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 -1.77 0.07 -4.12 -0.41 4.71 -1.26 -5.08 120.64 112.78 1rfa n GLU 104 Ca 0.01 -1.49 -0.13 0.00 -0.01 0.00 0.00 57.16 55.54 1rfa n GLU 104 Cb 0.40 -0.36 -0.06 0.00 -1.01 0.00 0.00 31.44 30.41 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 -0.16 1.03 -0.12 -0.32 0.09 -1.26 -5.17 115.29 109.38 1rfa s HIS 105 Ca 0.15 -1.24 -0.11 0.00 -0.00 0.00 0.00 55.06 53.86 1rfa s HIS 105 Cb 0.17 -0.23 0.03 0.00 -0.00 0.00 0.00 32.58 32.55 1rfa s HIS 105 CO -0.07 -0.95 0.33 0.15 -0.00 0.00 0.00 174.74 174.20 1rfa s LYS 106 N -3.58 0.38 0.00 1.40 -0.14 -1.26 -4.77 119.74 111.76 1rfa s LYS 106 Ca 0.32 0.46 0.00 0.00 -1.36 0.00 0.00 55.97 55.40 1rfa s LYS 106 Cb 0.02 0.17 0.00 0.00 -1.68 0.00 0.00 37.83 36.34 1rfa s LYS 106 CO 0.17 -0.05 0.00 0.41 -0.76 0.00 0.00 175.35 175.12 1rfa n GLY 107 N 2.98 2.18 3.23 -3.33 0.00 -1.26 -4.96 105.19 104.03 1rfa n GLY 107 Ca -0.14 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 45.76 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 -0.66 0.39 0.46 1.61 1.02 -1.26 -5.15 119.74 116.16 1rfa s LYS 108 Ca 0.00 0.56 -0.06 0.00 0.02 0.00 0.00 55.97 56.49 1rfa s LYS 108 Cb 0.00 0.12 -0.04 0.00 -0.52 0.00 0.00 37.83 37.39 1rfa s LYS 108 CO 0.00 -0.08 0.77 0.15 -0.92 0.00 0.00 175.35 175.27 1rfa s LYS 109 N 0.55 3.59 -0.26 1.68 1.02 -1.26 -4.55 119.74 120.51 1rfa s LYS 109 Ca -0.03 0.24 -0.24 0.00 0.02 0.00 0.00 55.97 55.96 1rfa s LYS 109 Cb -0.04 -2.39 -0.00 0.00 -0.52 0.00 0.00 37.83 34.87 1rfa s LYS 109 CO -0.03 -0.16 0.83 0.00 -0.92 0.00 0.00 175.35 175.06 1rfa s ALA 110 N -2.66 3.62 0.15 5.17 0.00 0.15 -4.91 121.76 123.29 1rfa s ALA 110 Ca 0.48 -0.19 -0.07 0.00 0.00 0.00 0.00 51.96 52.18 1rfa s ALA 110 Cb -0.10 -3.29 -0.06 0.00 0.00 0.00 0.00 23.12 19.66 1rfa s ALA 110 CO 0.42 -0.99 0.42 0.50 0.00 0.00 0.00 175.76 176.11 1rfa s ARG 111 N 2.88 3.69 0.00 0.00 3.00 -1.26 0.90 118.95 128.15 1rfa s ARG 111 Ca 0.35 0.04 0.00 0.00 -1.00 0.00 0.00 55.73 55.12 1rfa s ARG 111 Cb -0.15 -2.84 0.00 0.00 0.00 0.00 0.00 34.95 31.96 1rfa s ARG 111 CO 0.08 0.46 0.00 1.28 0.00 0.00 0.00 175.30 177.12 1rfa n LEU 112 N 0.23 0.00 -4.89 -0.88 4.77 -1.12 -4.88 117.00 110.23 1rfa n LEU 112 Ca -0.03 0.00 -0.23 0.00 -0.03 0.00 0.00 56.01 55.72 1rfa n LEU 112 Cb 0.52 0.00 -0.02 0.00 -2.33 0.00 0.00 43.42 41.59 1rfa n LEU 112 CO 0.46 0.00 0.03 -0.62 -1.33 0.00 0.00 177.39 175.94 1rfa s ASP 113 N -0.54 4.82 0.00 -1.43 2.15 -1.26 -4.81 116.67 115.59 1rfa s ASP 113 Ca 0.00 -0.99 0.25 0.00 0.43 0.00 0.00 52.55 52.24 1rfa s ASP 113 Cb 0.00 -0.09 0.70 0.00 -0.30 0.00 0.00 42.92 43.23 1rfa s ASP 113 CO 0.00 -0.88 1.54 0.79 -0.17 0.00 0.00 175.17 176.45 1rfa n TRP 114 N -1.66 0.10 -2.65 -5.34 5.03 -1.26 -3.60 117.44 108.06 1rfa n TRP 114 Ca 0.02 -0.05 -0.14 0.00 3.03 0.00 0.00 57.50 60.36 1rfa n TRP 114 Cb 0.63 0.00 0.02 0.00 -1.03 0.00 0.00 31.31 30.93 1rfa n TRP 114 CO 0.00 0.00 0.00 0.09 -0.03 0.00 0.00 177.69 177.75 1rfa n ASN 115 N 0.66 2.27 -0.05 -0.99 4.13 -1.26 -0.36 115.26 119.66 1rfa n ASN 115 Ca 0.17 -2.99 0.13 0.00 1.68 0.00 0.00 54.58 53.57 1rfa n ASN 115 Cb 0.44 -0.52 0.44 0.00 -1.54 0.00 0.00 39.78 38.61 1rfa n ASN 115 CO 0.00 0.00 0.00 1.07 0.28 0.00 0.00 177.26 178.61 1rfa n THR 116 N -0.15 0.00 -1.66 3.41 5.66 -1.24 -4.71 114.28 115.60 1rfa n THR 116 Ca 0.18 -0.02 -0.00 0.00 -3.05 0.00 0.00 64.05 61.15 1rfa n THR 116 Cb 0.76 -0.03 0.00 0.00 -1.55 0.00 0.00 70.33 69.52 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 -1.31 -2.78 0.05 1.09 2.03 -1.26 -4.77 116.55 109.61 1rfa n ASP 117 Ca 0.08 0.18 0.09 0.00 0.52 0.00 0.00 54.79 55.67 1rfa n ASP 117 Cb 0.32 -1.56 0.40 0.00 -0.72 0.00 0.00 41.12 39.56 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 0.05 1.73 1.31 -1.67 0.00 -1.26 -0.07 120.51 120.61 1rfa n ALA 118 Ca 0.00 -0.01 0.14 0.00 0.00 0.00 0.00 53.44 53.58 1rfa n ALA 118 Cb 0.00 -1.31 0.71 0.00 0.00 0.00 0.00 19.45 18.85 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 -1.61 2.41 0.47 0.00 0.00 -1.26 -1.19 120.51 119.34 1rfa n ALA 119 Ca 0.03 -0.13 0.10 0.00 0.00 0.00 0.00 53.44 53.44 1rfa n ALA 119 Cb 0.21 -1.47 -0.14 0.00 0.00 0.00 0.00 19.45 18.05 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 -1.32 0.59 -1.20 0.00 7.64 0.90 -3.76 113.62 116.47 1rfa n SER 120 Ca 0.13 -0.49 0.08 0.00 1.01 0.00 0.00 58.87 59.60 1rfa n SER 120 Cb 0.25 1.48 0.29 0.00 -1.01 0.00 0.00 64.21 65.21 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 -1.85 4.19 -4.74 -3.43 7.99 -0.52 -5.00 117.00 113.65 1rfa n LEU 121 Ca 0.00 -2.55 -0.41 0.00 -0.01 0.00 0.00 56.01 53.03 1rfa n LEU 121 Cb 0.43 -0.50 -0.03 0.00 -0.11 0.00 0.00 43.42 43.21 1rfa n LEU 121 CO 0.42 0.74 1.09 -0.51 -1.51 0.00 0.00 177.39 177.63 1rfa s ILE 122 N -2.02 2.82 0.00 -0.08 1.10 -0.33 -2.41 121.20 120.28 1rfa s ILE 122 Ca 0.43 0.66 0.00 0.00 -0.51 0.00 0.00 60.65 61.23 1rfa s ILE 122 Cb 0.29 -3.42 0.00 0.00 0.15 0.00 0.00 42.46 39.48 1rfa s ILE 122 CO 0.17 0.09 0.00 0.61 -2.11 0.00 0.00 174.94 173.71 1rfa n GLY 123 N 2.51 0.85 0.00 1.50 0.00 0.30 -4.64 105.19 105.71 1rfa n GLY 123 Ca 0.08 -0.61 0.00 0.00 0.00 0.00 0.00 46.02 45.48 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 -0.84 0.54 -4.40 1.61 -0.58 -1.01 -5.02 120.64 110.93 1rfa n GLU 124 Ca 0.00 0.00 -0.27 0.00 -0.42 0.00 0.00 57.16 56.47 1rfa n GLU 124 Cb 0.37 0.00 -0.13 0.00 -0.57 0.00 0.00 31.44 31.11 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 -0.10 1.34 0.14 3.49 2.02 -1.26 -2.97 118.70 121.35 1rfa s GLU 125 Ca 0.00 -1.27 0.04 0.00 0.02 0.00 0.00 54.97 53.76 1rfa s GLU 125 Cb 0.00 -1.74 -0.04 0.00 0.10 0.00 0.00 34.13 32.44 1rfa s GLU 125 CO 0.00 0.41 -0.10 -0.51 0.02 0.00 0.00 175.26 175.09 1rfa s LEU 126 N -1.94 2.52 0.04 1.80 1.02 0.23 -3.06 118.68 119.29 1rfa s LEU 126 Ca 0.11 -1.00 -0.00 0.00 0.02 0.00 0.00 54.13 53.27 1rfa s LEU 126 Cb -0.10 -0.31 -0.03 0.00 0.02 0.00 0.00 46.19 45.77 1rfa s LEU 126 CO 0.05 -0.34 -0.03 -1.58 0.02 0.00 0.00 176.35 174.46 1rfa s GLN 127 N -3.68 0.49 0.04 1.70 0.74 0.40 0.21 119.66 119.56 1rfa s GLN 127 Ca 0.15 -0.95 0.09 0.00 0.05 0.00 0.00 55.36 54.70 1rfa s GLN 127 Cb 0.02 0.12 -0.03 0.00 1.10 0.00 0.00 33.01 34.23 1rfa s GLN 127 CO -0.00 -0.07 -0.26 0.08 -0.55 0.00 0.00 175.29 174.48 1rfa s VAL 128 N -2.76 2.13 0.00 1.34 1.01 0.10 0.50 120.40 122.72 1rfa s VAL 128 Ca -0.03 -1.36 0.00 0.00 0.00 0.00 0.00 61.98 60.59 1rfa s VAL 128 Cb -0.00 -1.82 0.00 0.00 0.00 0.00 0.00 36.38 34.56 1rfa s VAL 128 CO -0.06 0.39 0.00 -0.67 0.00 0.00 0.00 175.10 174.77 1rfa n ASP 129 N 1.86 0.15 -4.58 3.32 -0.08 0.25 -2.99 116.55 114.48 1rfa n ASP 129 Ca -0.17 -0.36 -0.29 0.00 -1.51 0.00 0.00 54.79 52.46 1rfa n ASP 129 Cb 0.52 0.00 0.17 0.00 2.34 0.00 0.00 41.12 44.15 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 -1.25 2.03 0.00 -0.67 -0.12 -1.26 -1.02 117.98 115.70 1rfa s PHE 130 Ca 0.00 0.81 0.00 0.00 -0.05 0.00 0.00 56.93 57.69 1rfa s PHE 130 Cb 0.00 -3.40 0.00 0.00 -0.63 0.00 0.00 43.02 38.99 1rfa s PHE 130 CO 0.00 -2.80 0.00 1.47 -0.05 0.00 0.00 175.22 173.84 1rfa n LEU 131 N -4.06 0.00 0.00 -1.99 -0.00 -1.21 -1.91 117.00 107.83 1rfa n LEU 131 Ca 0.07 0.00 0.00 0.00 -0.00 0.00 0.00 56.01 56.08 1rfa n LEU 131 Cb 0.59 0.00 0.00 0.00 -0.00 0.00 0.00 43.42 44.01 1rfa n LEU 131 CO 0.55 0.00 0.24 0.47 -0.00 0.00 0.00 177.39 178.65