#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 0.04 -3.91 -3.46 5.15 -1.26 -4.82 115.26 107.00 1rfa n ASN 56 Ca 0.00 -1.84 -0.10 0.00 -0.60 0.00 0.00 54.58 52.04 1rfa n ASN 56 Cb 0.00 -0.05 -0.10 0.00 -0.53 0.00 0.00 39.78 39.10 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 0.11 0.03 -0.44 -4.23 -1.26 -3.90 115.64 105.94 1rfa s THR 57 Ca 0.12 -0.92 -0.05 0.00 -1.18 0.00 0.00 61.69 59.66 1rfa s THR 57 Cb 0.14 -0.64 -0.01 0.00 1.34 0.00 0.00 72.50 73.32 1rfa s THR 57 CO -0.06 -0.51 0.07 -0.63 -0.54 0.00 0.00 174.62 172.96 1rfa s ILE 58 N -2.01 0.12 0.13 2.99 1.09 -0.85 -0.72 121.20 121.95 1rfa s ILE 58 Ca -0.10 -0.99 0.03 0.00 -1.10 0.00 0.00 60.65 58.49 1rfa s ILE 58 Cb -0.05 -0.68 -0.04 0.00 -1.06 0.00 0.00 42.46 40.63 1rfa s ILE 58 CO -0.02 -0.55 0.17 -0.13 -0.10 0.00 0.00 174.94 174.31 1rfa s ARG 59 N -2.13 3.10 -0.00 2.79 3.00 -1.11 -1.22 118.95 123.38 1rfa s ARG 59 Ca -0.09 -0.70 0.08 0.00 0.00 0.00 0.00 55.73 55.02 1rfa s ARG 59 Cb -0.04 -2.80 -0.02 0.00 0.00 0.00 0.00 34.95 32.09 1rfa s ARG 59 CO -0.03 0.53 -0.26 0.08 0.00 0.00 0.00 175.30 175.62 1rfa s VAL 60 N -1.63 2.07 -0.03 3.52 1.01 0.15 0.12 120.40 125.61 1rfa s VAL 60 Ca 0.32 -1.17 0.04 0.00 0.00 0.00 0.00 61.98 61.16 1rfa s VAL 60 Cb -0.11 -1.73 -0.00 0.00 0.00 0.00 0.00 36.38 34.54 1rfa s VAL 60 CO 0.25 0.53 -0.14 -0.36 0.00 0.00 0.00 175.10 175.37 1rfa s PHE 61 N -0.66 1.41 0.45 5.22 0.40 -0.45 -0.11 117.98 124.24 1rfa s PHE 61 Ca 0.10 -0.35 0.02 0.00 -0.60 0.00 0.00 56.93 56.11 1rfa s PHE 61 Cb -0.10 -0.95 0.01 0.00 0.51 0.00 0.00 43.02 42.49 1rfa s PHE 61 CO -0.00 -0.10 0.65 -0.51 0.70 0.00 0.00 175.22 175.95 1rfa s LEU 62 N -0.04 3.63 0.00 -0.37 2.01 0.37 -1.53 118.68 122.74 1rfa s LEU 62 Ca -0.01 0.06 0.28 0.00 0.01 0.00 0.00 54.13 54.47 1rfa s LEU 62 Cb -0.09 -2.97 1.15 0.00 0.01 0.00 0.00 46.19 44.29 1rfa s LEU 62 CO 0.01 -0.76 1.80 -0.81 1.01 0.00 0.00 176.35 177.60 1rfa n PRO 63 N -2.03 1.57 -0.69 1.29 -0.04 -1.22 -1.71 135.00 132.17 1rfa n PRO 63 Ca 0.03 -0.83 0.02 0.00 -0.04 0.00 0.00 63.50 62.68 1rfa n PRO 63 Cb 0.58 -1.48 0.27 0.00 -0.04 0.00 0.00 33.50 32.84 1rfa n PRO 63 CO 0.00 0.00 0.00 0.09 -0.04 0.00 0.00 175.50 175.55 1rfa n ASN 64 N 0.02 4.32 0.00 3.54 3.02 -1.26 -4.82 115.26 120.08 1rfa n ASN 64 Ca 0.19 -2.74 0.00 0.00 -0.03 0.00 0.00 54.58 52.00 1rfa n ASN 64 Cb 0.32 -0.65 0.00 0.00 -0.61 0.00 0.00 39.78 38.84 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 0.30 -0.29 -1.75 3.52 4.76 -0.69 -4.97 118.16 119.03 1rfa n LYS 65 Ca 0.23 0.07 -0.12 0.00 -2.87 0.00 0.00 58.31 55.63 1rfa n LYS 65 Cb 1.00 -3.28 0.06 0.00 -1.84 0.00 0.00 35.03 30.96 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 -2.36 0.36 -3.61 1.97 1.13 -1.22 -4.75 117.38 108.89 1rfa n GLN 66 Ca 0.00 -1.51 0.01 0.00 -1.94 0.00 0.00 57.00 53.57 1rfa n GLN 66 Cb 0.07 -0.30 -0.01 0.00 0.11 0.00 0.00 30.24 30.11 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 -3.74 0.35 0.02 -1.09 3.03 -1.26 0.14 118.95 116.41 1rfa s ARG 67 Ca 0.35 -0.19 -0.12 0.00 2.03 0.00 0.00 55.73 57.80 1rfa s ARG 67 Cb -0.02 0.12 0.04 0.00 -1.03 0.00 0.00 34.95 34.06 1rfa s ARG 67 CO 0.23 -0.16 0.56 -2.37 -1.13 0.00 0.00 175.30 172.43 1rfa n THR 68 N -0.44 0.00 -4.66 4.99 5.66 0.84 -4.92 114.28 115.76 1rfa n THR 68 Ca -0.07 -0.14 -0.30 0.00 -3.05 0.00 0.00 64.05 60.49 1rfa n THR 68 Cb 0.62 0.30 -0.14 0.00 -1.55 0.00 0.00 70.33 69.57 1rfa n THR 68 CO 0.00 0.00 0.00 0.54 -3.05 0.00 0.00 175.07 172.56 1rfa s VAL 69 N -2.18 2.23 0.12 1.08 0.11 -1.26 0.33 120.40 120.83 1rfa s VAL 69 Ca 0.13 -1.55 0.01 0.00 -2.93 0.00 0.00 61.98 57.64 1rfa s VAL 69 Cb -0.01 -1.93 -0.04 0.00 -1.53 0.00 0.00 36.38 32.87 1rfa s VAL 69 CO 0.01 0.24 -0.03 0.68 -3.33 0.00 0.00 175.10 172.66 1rfa s VAL 70 N -0.93 0.61 0.37 2.04 -7.23 -0.36 -4.91 120.40 110.00 1rfa s VAL 70 Ca 0.13 -1.94 0.08 0.00 -1.81 0.00 0.00 61.98 58.44 1rfa s VAL 70 Cb -0.10 -1.85 -0.07 0.00 0.56 0.00 0.00 36.38 34.92 1rfa s VAL 70 CO 0.04 -0.72 -0.03 0.20 -0.31 0.00 0.00 175.10 174.28 1rfa s ASN 71 N -3.08 3.65 0.06 4.85 0.01 -1.26 -2.00 114.94 117.18 1rfa s ASN 71 Ca 0.16 -1.30 -0.00 0.00 -0.71 0.00 0.00 52.86 51.01 1rfa s ASN 71 Cb 0.06 -0.35 -0.04 0.00 0.41 0.00 0.00 41.25 41.33 1rfa s ASN 71 CO -0.02 -0.36 -0.04 0.54 -1.51 0.00 0.00 177.10 175.71 1rfa s VAL 72 N -2.73 0.32 0.26 1.60 0.11 -1.25 -4.86 120.40 113.85 1rfa s VAL 72 Ca 0.34 -1.81 0.02 0.00 -2.93 0.00 0.00 61.98 57.60 1rfa s VAL 72 Cb 0.07 -1.52 -0.04 0.00 -1.53 0.00 0.00 36.38 33.36 1rfa s VAL 72 CO 0.17 -0.96 0.13 -0.60 -3.33 0.00 0.00 175.10 170.51 1rfa s ARG 73 N -3.82 1.44 -0.59 1.54 6.06 -1.26 -4.96 118.95 117.35 1rfa s ARG 73 Ca 0.07 -1.79 -0.28 0.00 -2.50 0.00 0.00 55.73 51.24 1rfa s ARG 73 Cb 0.07 -0.07 0.02 0.00 0.06 0.00 0.00 34.95 35.02 1rfa s ARG 73 CO -0.09 -0.38 1.40 0.54 -2.50 0.00 0.00 175.30 174.28 1rfa s ASN 74 N -3.30 6.11 0.00 -2.12 4.22 -1.26 -0.94 114.94 117.65 1rfa s ASN 74 Ca 0.37 0.16 0.00 0.00 -2.14 0.00 0.00 52.86 51.26 1rfa s ASN 74 Cb 0.07 -2.55 0.00 0.00 1.28 0.00 0.00 41.25 40.05 1rfa s ASN 74 CO 0.15 -1.75 0.00 0.61 -2.04 0.00 0.00 177.10 174.07 1rfa n GLY 75 N 5.29 1.31 3.91 0.45 0.00 -1.26 -5.12 105.19 109.77 1rfa n GLY 75 Ca 0.11 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.86 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 2.67 0.00 1.61 -1.94 -0.12 -5.08 119.30 116.44 1rfa s MET 76 Ca 0.00 0.04 0.00 0.00 -1.71 0.00 0.00 55.69 54.02 1rfa s MET 76 Cb 0.00 -2.17 0.00 0.00 2.01 0.00 0.00 34.83 34.67 1rfa s MET 76 CO 0.00 -0.96 0.00 0.43 -0.01 0.00 0.00 175.02 174.48 1rfa n SER 77 N -2.80 1.99 0.07 3.03 7.64 -1.26 -4.70 113.62 117.59 1rfa n SER 77 Ca 0.06 -0.65 -0.21 0.00 1.01 0.00 0.00 58.87 59.08 1rfa n SER 77 Cb 0.58 0.00 -0.14 0.00 -1.01 0.00 0.00 64.21 63.64 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 0.00 0.61 -0.00 -3.43 -0.00 -0.80 -3.12 115.31 108.57 1rfa h LEU 78 Ca 0.00 -0.90 -0.22 0.00 -0.00 0.00 0.00 57.88 56.76 1rfa h LEU 78 Cb 0.00 -0.19 0.02 0.00 -0.00 0.00 0.00 40.66 40.48 1rfa h LEU 78 CO 0.00 1.46 -0.85 -0.74 -0.00 0.00 0.00 178.44 178.31 1rfa h HIS 79 N -0.15 0.86 0.00 1.13 2.76 -0.28 2.22 115.15 121.69 1rfa h HIS 79 Ca -0.16 -0.47 0.00 0.00 -2.20 0.00 0.00 60.37 57.54 1rfa h HIS 79 Cb 1.73 -0.10 0.00 0.00 1.55 0.00 0.00 27.41 30.59 1rfa h HIS 79 CO 0.17 1.30 0.00 -0.44 -1.30 0.00 0.00 177.93 177.65 1rfa h ASP 80 N 0.18 0.00 0.00 3.26 3.32 -1.80 -2.42 116.42 118.97 1rfa h ASP 80 Ca -0.11 0.00 -0.00 0.00 0.02 0.00 0.00 57.03 56.94 1rfa h ASP 80 Cb 1.53 0.00 0.00 0.00 0.22 0.00 0.00 39.33 41.08 1rfa h ASP 80 CO 0.17 0.00 -0.00 0.00 -1.72 0.00 0.00 179.24 177.69 1rfa n LEU 82 N -4.64 6.33 0.00 0.00 4.77 0.75 -2.97 117.00 121.25 1rfa n LEU 82 Ca -0.09 -4.58 0.00 0.00 -0.03 0.00 0.00 56.01 51.31 1rfa n LEU 82 Cb 0.44 -1.52 0.00 0.00 -2.33 0.00 0.00 43.42 40.01 1rfa n LEU 82 CO 0.32 1.21 0.00 0.80 -1.33 0.00 0.00 177.39 178.39 1rfa n MET 83 N 4.39 0.00 -0.08 3.23 0.00 -0.95 -4.59 117.12 119.12 1rfa n MET 83 Ca 0.40 0.00 -0.13 0.00 -0.00 0.00 0.00 57.70 57.97 1rfa n MET 83 Cb 0.38 -0.07 -0.07 0.00 0.00 0.00 0.00 33.22 33.46 1rfa n MET 83 CO 0.00 0.00 0.00 0.87 0.00 0.00 0.00 175.97 176.84 1rfa h LYS 84 N 0.00 -0.42 0.00 2.12 6.56 -1.74 0.45 116.57 123.54 1rfa h LYS 84 Ca 0.00 0.03 0.00 0.00 -1.06 0.00 0.00 60.65 59.62 1rfa h LYS 84 Cb 0.00 0.10 0.00 0.00 -0.57 0.00 0.00 32.23 31.76 1rfa h LYS 84 CO 0.00 -0.28 0.00 0.00 -2.06 0.00 0.00 179.45 177.11 1rfa n ALA 85 N -3.03 2.64 -0.03 3.86 0.00 -1.26 -1.48 120.51 121.21 1rfa n ALA 85 Ca -0.03 -0.18 -0.04 0.00 0.00 0.00 0.00 53.44 53.19 1rfa n ALA 85 Cb 0.36 -1.46 -0.02 0.00 0.00 0.00 0.00 19.45 18.32 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 -0.96 2.98 -0.31 0.00 7.99 -0.91 -4.28 117.00 121.51 1rfa n LEU 86 Ca 0.21 -0.03 -0.03 0.00 -0.01 0.00 0.00 56.01 56.15 1rfa n LEU 86 Cb 0.10 -0.18 0.08 0.00 -0.11 0.00 0.00 43.42 43.31 1rfa n LEU 86 CO 0.16 0.58 1.22 0.50 -1.51 0.00 0.00 177.39 178.35 1rfa h LYS 87 N -0.00 1.09 0.00 3.23 3.11 0.18 1.57 116.57 125.75 1rfa h LYS 87 Ca -0.11 -0.07 -0.04 0.00 -2.81 0.00 0.00 60.65 57.62 1rfa h LYS 87 Cb 1.18 -0.25 -0.01 0.00 -1.00 0.00 0.00 32.23 32.15 1rfa h LYS 87 CO -0.02 0.72 -0.18 -0.24 -2.81 0.00 0.00 179.45 176.92 1rfa h VAL 88 N 1.12 0.64 0.05 2.00 3.04 -1.47 -2.88 116.25 118.76 1rfa h VAL 88 Ca 0.31 -0.79 -0.30 0.00 -1.01 0.00 0.00 66.70 64.91 1rfa h VAL 88 Cb -0.11 1.51 -0.03 0.00 -2.01 0.00 0.00 31.29 30.65 1rfa h VAL 88 CO -0.07 0.18 -1.64 0.54 -1.01 0.00 0.00 177.57 175.56 1rfa n ARG 89 N -3.62 0.65 0.00 4.17 1.74 -0.66 -4.99 116.66 113.94 1rfa n ARG 89 Ca -0.01 0.43 0.00 0.00 -0.77 0.00 0.00 57.85 57.49 1rfa n ARG 89 Cb 0.31 -1.72 0.00 0.00 -1.02 0.00 0.00 32.46 30.03 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 1.68 0.91 3.83 -0.13 0.00 0.49 -5.08 105.19 106.89 1rfa n GLY 90 Ca -0.33 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.46 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 3.24 -0.18 0.99 1.43 0.15 -5.00 118.68 119.30 1rfa s LEU 91 Ca 0.00 -0.91 0.00 0.00 -1.03 0.00 0.00 54.13 52.19 1rfa s LEU 91 Cb 0.00 -1.76 0.01 0.00 0.03 0.00 0.00 46.19 44.47 1rfa s LEU 91 CO 0.00 -0.65 -0.16 -1.10 0.23 0.00 0.00 176.35 174.66 1rfa s GLN 92 N -4.06 3.11 0.00 1.70 -1.52 -1.26 -4.61 119.66 113.01 1rfa s GLN 92 Ca 0.44 -0.78 0.22 0.00 -1.95 0.00 0.00 55.36 53.29 1rfa s GLN 92 Cb -0.01 -2.65 -0.14 0.00 -0.22 0.00 0.00 33.01 29.99 1rfa s GLN 92 CO 0.25 -0.15 0.97 -0.35 -0.25 0.00 0.00 175.29 175.76 1rfa n PRO 93 N 4.50 0.15 0.09 2.91 -0.04 -1.26 -3.93 135.00 137.41 1rfa n PRO 93 Ca -0.20 -0.12 0.12 0.00 -0.04 0.00 0.00 63.50 63.26 1rfa n PRO 93 Cb 0.51 -1.50 0.45 0.00 -0.04 0.00 0.00 33.50 32.92 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 -1.32 0.18 -0.37 0.54 4.71 -1.26 -1.24 120.64 121.88 1rfa n GLU 94 Ca 0.05 0.29 0.09 0.00 -0.01 0.00 0.00 57.16 57.58 1rfa n GLU 94 Cb 0.35 -1.77 0.27 0.00 -1.01 0.00 0.00 31.44 29.28 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 -3.07 2.31 0.13 0.00 0.00 0.13 -4.73 121.76 116.52 1rfa s ALA 97 Ca 0.36 -1.03 0.03 0.00 0.00 0.00 0.00 51.96 51.31 1rfa s ALA 97 Cb 0.09 -0.76 -0.04 0.00 0.00 0.00 0.00 23.12 22.41 1rfa s ALA 97 CO 0.16 0.45 0.19 0.54 0.00 0.00 0.00 175.76 177.11 1rfa s VAL 98 N -0.31 4.94 0.10 0.00 0.11 -1.26 0.81 120.40 124.79 1rfa s VAL 98 Ca 0.01 -0.78 -0.02 0.00 -2.93 0.00 0.00 61.98 58.26 1rfa s VAL 98 Cb -0.13 -3.49 -0.03 0.00 -1.53 0.00 0.00 36.38 31.20 1rfa s VAL 98 CO 0.02 -0.03 0.05 -0.36 -3.33 0.00 0.00 175.10 171.46 1rfa s PHE 99 N -1.66 0.61 -0.05 1.54 0.40 0.16 -2.00 117.98 116.99 1rfa s PHE 99 Ca 0.33 -1.06 -0.04 0.00 -0.60 0.00 0.00 56.93 55.56 1rfa s PHE 99 Cb -0.11 -0.36 -0.04 0.00 0.51 0.00 0.00 43.02 43.02 1rfa s PHE 99 CO 0.26 -0.48 0.16 0.50 0.70 0.00 0.00 175.22 176.35 1rfa s ARG 100 N -3.97 3.41 0.81 0.44 3.52 0.24 -0.79 118.95 122.60 1rfa s ARG 100 Ca 0.15 -0.27 -0.09 0.00 -0.13 0.00 0.00 55.73 55.39 1rfa s ARG 100 Cb 0.07 -3.11 0.13 0.00 -1.56 0.00 0.00 34.95 30.48 1rfa s ARG 100 CO -0.05 0.71 1.13 -0.51 -0.81 0.00 0.00 175.30 175.78 1rfa s LEU 101 N -1.60 2.81 -0.08 -0.88 1.43 -0.34 0.23 118.68 120.25 1rfa s LEU 101 Ca 0.23 0.17 -0.28 0.00 -1.03 0.00 0.00 54.13 53.22 1rfa s LEU 101 Cb -0.12 -2.50 -0.02 0.00 0.03 0.00 0.00 46.19 43.57 1rfa s LEU 101 CO 0.13 -2.11 0.93 -1.48 0.23 0.00 0.00 176.35 174.05 1rfa s LEU 102 N -5.47 4.28 -0.11 1.79 0.05 -1.25 -4.63 118.68 113.33 1rfa s LEU 102 Ca 0.67 1.47 0.16 0.00 0.05 0.00 0.00 54.13 56.49 1rfa s LEU 102 Cb -0.07 -3.45 0.38 0.00 -2.05 0.00 0.00 46.19 41.00 1rfa s LEU 102 CO 0.48 -0.34 1.18 1.41 -0.55 0.00 0.00 176.35 178.53 1rfa n HIS 103 N 4.52 0.00 0.00 3.48 8.25 -1.26 -4.77 115.22 125.44 1rfa n HIS 103 Ca 0.06 -1.00 0.00 0.00 -0.26 0.00 0.00 57.72 56.52 1rfa n HIS 103 Cb 0.50 -0.19 0.00 0.00 1.12 0.00 0.00 29.99 31.42 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 -0.51 0.00 -2.99 -0.41 0.00 -1.26 -5.15 120.64 110.32 1rfa n GLU 104 Ca 0.13 0.00 -0.20 0.00 0.00 0.00 0.00 57.16 57.09 1rfa n GLU 104 Cb 0.85 0.00 0.07 0.00 0.00 0.00 0.00 31.44 32.36 1rfa n GLU 104 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 177.13 175.55 1rfa s HIS 105 N -0.92 1.32 -0.04 -1.84 2.46 -1.26 -5.11 115.29 109.89 1rfa s HIS 105 Ca 0.00 -0.70 -0.00 0.00 0.47 0.00 0.00 55.06 54.82 1rfa s HIS 105 Cb 0.00 -2.28 0.03 0.00 -0.13 0.00 0.00 32.58 30.19 1rfa s HIS 105 CO 0.00 -1.27 0.01 0.21 -2.47 0.00 0.00 174.74 171.21 1rfa s LYS 106 N -4.74 0.33 0.00 2.88 2.47 -1.26 -4.81 119.74 114.61 1rfa s LYS 106 Ca 0.63 0.11 0.00 0.00 -1.56 0.00 0.00 55.97 55.15 1rfa s LYS 106 Cb -0.05 -0.59 0.00 0.00 -1.46 0.00 0.00 37.83 35.73 1rfa s LYS 106 CO 0.40 -0.19 0.00 0.41 0.16 0.00 0.00 175.35 176.13 1rfa n GLY 107 N 4.46 0.71 3.58 5.54 0.00 -1.26 -5.03 105.19 113.18 1rfa n GLY 107 Ca -0.20 -0.71 -0.12 0.00 0.00 0.00 0.00 46.02 44.99 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 -3.69 0.75 0.01 1.61 1.02 -1.26 -5.15 119.74 113.03 1rfa s LYS 108 Ca 0.00 0.99 0.06 0.00 0.02 0.00 0.00 55.97 57.03 1rfa s LYS 108 Cb 0.00 0.32 -0.03 0.00 -0.52 0.00 0.00 37.83 37.60 1rfa s LYS 108 CO 0.00 -0.11 -0.16 0.15 -0.92 0.00 0.00 175.35 174.32 1rfa s LYS 109 N 0.66 2.27 -0.26 1.68 1.02 -1.26 -3.94 119.74 119.90 1rfa s LYS 109 Ca -0.02 -0.86 -0.23 0.00 0.02 0.00 0.00 55.97 54.87 1rfa s LYS 109 Cb -0.05 -2.28 -0.01 0.00 -0.52 0.00 0.00 37.83 34.97 1rfa s LYS 109 CO -0.04 0.57 0.78 0.00 -0.92 0.00 0.00 175.35 175.74 1rfa s ALA 110 N -0.87 3.60 0.18 5.17 0.00 0.13 -4.89 121.76 125.09 1rfa s ALA 110 Ca 0.14 -0.29 -0.12 0.00 0.00 0.00 0.00 51.96 51.70 1rfa s ALA 110 Cb -0.11 -3.24 -0.07 0.00 0.00 0.00 0.00 23.12 19.71 1rfa s ALA 110 CO 0.04 -0.99 0.54 0.50 0.00 0.00 0.00 175.76 175.85 1rfa s ARG 111 N 2.81 3.87 0.03 0.00 3.00 -1.26 0.79 118.95 128.19 1rfa s ARG 111 Ca 0.32 0.35 0.00 0.00 -1.00 0.00 0.00 55.73 55.41 1rfa s ARG 111 Cb -0.15 -2.79 -0.00 0.00 0.00 0.00 0.00 34.95 32.01 1rfa s ARG 111 CO 0.09 0.40 0.01 1.28 0.00 0.00 0.00 175.30 177.08 1rfa n LEU 112 N 0.34 0.00 -4.47 -0.88 4.77 -0.84 -4.88 117.00 111.03 1rfa n LEU 112 Ca -0.03 -0.20 -0.26 0.00 -0.03 0.00 0.00 56.01 55.50 1rfa n LEU 112 Cb 0.52 0.06 -0.11 0.00 -2.33 0.00 0.00 43.42 41.56 1rfa n LEU 112 CO 0.44 -0.03 -0.49 -0.62 -1.33 0.00 0.00 177.39 175.36 1rfa s ASP 113 N -1.16 3.66 0.00 -1.43 2.15 -1.26 -4.69 116.67 113.93 1rfa s ASP 113 Ca 0.01 -0.86 0.25 0.00 0.43 0.00 0.00 52.55 52.38 1rfa s ASP 113 Cb 0.00 -0.37 1.35 0.00 -0.30 0.00 0.00 42.92 43.60 1rfa s ASP 113 CO 0.01 0.09 1.83 0.79 -0.17 0.00 0.00 175.17 177.72 1rfa n TRP 114 N -0.08 0.00 -0.85 -5.34 5.03 -1.26 -0.32 117.44 114.63 1rfa n TRP 114 Ca -0.10 0.00 0.08 0.00 3.03 0.00 0.00 57.50 60.51 1rfa n TRP 114 Cb 0.57 -0.16 0.20 0.00 -1.03 0.00 0.00 31.31 30.89 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 -1.16 3.26 -4.77 -0.99 5.15 -1.26 0.42 115.26 115.91 1rfa n ASN 115 Ca 0.15 -2.84 -0.39 0.00 -0.60 0.00 0.00 54.58 50.90 1rfa n ASN 115 Cb 0.15 -0.44 -0.03 0.00 -0.53 0.00 0.00 39.78 38.92 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 -2.50 3.38 -0.66 -0.44 2.01 0.57 -4.31 115.64 113.69 1rfa s THR 116 Ca 0.35 1.21 -0.27 0.00 0.31 0.00 0.00 61.69 63.29 1rfa s THR 116 Cb 0.28 -3.70 -0.00 0.00 0.01 0.00 0.00 72.50 69.08 1rfa s THR 116 CO 0.08 0.15 1.67 -1.81 -0.69 0.00 0.00 174.62 174.02 1rfa s ASP 117 N -1.14 5.56 0.00 3.53 1.11 -1.26 -0.67 116.67 123.80 1rfa s ASP 117 Ca 0.53 0.06 0.11 0.00 0.18 0.00 0.00 52.55 53.43 1rfa s ASP 117 Cb -0.29 -2.54 0.50 0.00 1.07 0.00 0.00 42.92 41.66 1rfa s ASP 117 CO 0.37 -2.21 1.33 0.00 1.18 0.00 0.00 175.17 175.85 1rfa n ALA 118 N 11.66 1.56 1.50 5.23 0.00 -1.26 0.45 120.51 139.65 1rfa n ALA 118 Ca 0.15 -0.04 0.15 0.00 0.00 0.00 0.00 53.44 53.69 1rfa n ALA 118 Cb 0.51 -1.18 0.72 0.00 0.00 0.00 0.00 19.45 19.49 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 -1.44 2.64 0.38 0.00 0.00 -1.26 -1.74 120.51 119.09 1rfa n ALA 119 Ca 0.03 -0.21 0.10 0.00 0.00 0.00 0.00 53.44 53.36 1rfa n ALA 119 Cb 0.12 -1.42 -0.14 0.00 0.00 0.00 0.00 19.45 18.01 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 -1.07 0.50 -1.34 0.00 7.64 0.17 -3.82 113.62 115.70 1rfa n SER 120 Ca 0.16 -0.39 0.08 0.00 1.01 0.00 0.00 58.87 59.72 1rfa n SER 120 Cb 0.24 1.58 0.32 0.00 -1.01 0.00 0.00 64.21 65.33 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 -1.93 4.53 -4.76 -3.43 7.99 -0.78 -4.99 117.00 113.63 1rfa n LEU 121 Ca -0.01 -2.68 -0.41 0.00 -0.01 0.00 0.00 56.01 52.90 1rfa n LEU 121 Cb 0.46 -0.55 -0.02 0.00 -0.11 0.00 0.00 43.42 43.19 1rfa n LEU 121 CO 0.43 0.72 0.99 -0.51 -1.51 0.00 0.00 177.39 177.51 1rfa s ILE 122 N -2.26 2.83 0.00 -0.08 1.10 -0.71 -2.73 121.20 119.35 1rfa s ILE 122 Ca 0.46 0.79 0.00 0.00 -0.51 0.00 0.00 60.65 61.39 1rfa s ILE 122 Cb 0.33 -3.50 0.00 0.00 0.15 0.00 0.00 42.46 39.44 1rfa s ILE 122 CO 0.17 0.17 0.00 0.61 -2.11 0.00 0.00 174.94 173.78 1rfa n GLY 123 N 1.29 0.70 0.00 1.50 0.00 0.10 -4.70 105.19 104.08 1rfa n GLY 123 Ca 0.02 -0.77 0.00 0.00 0.00 0.00 0.00 46.02 45.27 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 -0.72 0.65 -5.13 1.61 -0.58 -1.10 -5.02 120.64 110.35 1rfa n GLU 124 Ca 0.00 0.00 -0.31 0.00 -0.42 0.00 0.00 57.16 56.43 1rfa n GLU 124 Cb 0.50 0.00 -0.17 0.00 -0.57 0.00 0.00 31.44 31.20 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 -1.40 2.80 0.31 3.49 2.02 -1.26 -2.73 118.70 121.92 1rfa s GLU 125 Ca 0.00 -0.82 0.07 0.00 0.02 0.00 0.00 54.97 54.24 1rfa s GLU 125 Cb 0.00 -2.15 -0.02 0.00 0.10 0.00 0.00 34.13 32.06 1rfa s GLU 125 CO 0.00 0.18 0.37 -0.51 0.02 0.00 0.00 175.26 175.32 1rfa s LEU 126 N 0.33 3.91 0.12 1.80 1.43 0.33 -1.20 118.68 125.40 1rfa s LEU 126 Ca -0.17 -0.24 -0.11 0.00 -1.03 0.00 0.00 54.13 52.59 1rfa s LEU 126 Cb -0.17 -2.57 0.01 0.00 0.03 0.00 0.00 46.19 43.48 1rfa s LEU 126 CO 0.08 -0.30 0.27 -1.58 0.23 0.00 0.00 176.35 175.04 1rfa s GLN 127 N -4.05 0.99 0.06 1.70 0.74 0.03 -1.34 119.66 117.78 1rfa s GLN 127 Ca 0.41 -0.95 0.06 0.00 0.05 0.00 0.00 55.36 54.93 1rfa s GLN 127 Cb -0.08 0.38 -0.03 0.00 1.10 0.00 0.00 33.01 34.39 1rfa s GLN 127 CO 0.29 -0.35 -0.17 0.08 -0.55 0.00 0.00 175.29 174.59 1rfa s VAL 128 N -3.87 1.39 0.07 1.34 1.01 -0.58 0.41 120.40 120.16 1rfa s VAL 128 Ca 0.07 -1.25 -0.01 0.00 0.00 0.00 0.00 61.98 60.80 1rfa s VAL 128 Cb 0.04 -1.26 0.00 0.00 0.00 0.00 0.00 36.38 35.16 1rfa s VAL 128 CO -0.08 -0.02 0.11 -0.67 0.00 0.00 0.00 175.10 174.44 1rfa n ASP 129 N 1.55 -0.30 -4.86 3.32 -0.08 0.24 -3.43 116.55 112.98 1rfa n ASP 129 Ca -0.19 -1.39 -0.31 0.00 -1.51 0.00 0.00 54.79 51.39 1rfa n ASP 129 Cb 0.54 0.55 0.00 0.00 2.34 0.00 0.00 41.12 44.55 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 -4.81 3.59 0.00 -0.67 -0.12 -1.26 0.17 117.98 114.88 1rfa s PHE 130 Ca 0.06 1.32 0.00 0.00 -0.05 0.00 0.00 56.93 58.26 1rfa s PHE 130 Cb -0.00 -2.73 0.00 0.00 -0.63 0.00 0.00 43.02 39.66 1rfa s PHE 130 CO 0.04 -0.62 0.00 1.47 -0.05 0.00 0.00 175.22 176.06 1rfa n LEU 131 N -2.51 0.00 -0.76 -1.99 -0.00 -1.26 -4.25 117.00 106.24 1rfa n LEU 131 Ca 0.06 0.00 0.09 0.00 -0.00 0.00 0.00 56.01 56.17 1rfa n LEU 131 Cb 0.54 0.00 0.08 0.00 -0.00 0.00 0.00 43.42 44.04 1rfa n LEU 131 CO 0.56 0.00 0.55 0.47 -0.00 0.00 0.00 177.39 178.97