#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2bfv s VAL 2 N 0.00 4.36 -0.03 1.69 1.01 -1.26 -3.72 120.40 122.45 2bfv s VAL 2 Ca 0.00 1.57 0.02 0.00 0.00 0.00 0.00 61.98 63.57 2bfv s VAL 2 Cb 0.00 -4.27 0.01 0.00 0.00 0.00 0.00 36.38 32.12 2bfv s VAL 2 CO 0.00 -0.42 -0.07 -1.10 0.00 0.00 0.00 175.10 173.50 2bfv s GLN 3 N 3.79 0.88 -0.06 2.72 -1.52 -0.41 -5.02 119.66 120.05 2bfv s GLN 3 Ca 0.50 -0.24 0.02 0.00 -1.95 0.00 0.00 55.36 53.69 2bfv s GLN 3 Cb -0.15 -0.84 0.01 0.00 -0.22 0.00 0.00 33.01 31.81 2bfv s GLN 3 CO 0.18 0.06 -0.13 -0.51 -0.25 0.00 0.00 175.29 174.64 2bfv s LEU 4 N 0.35 1.68 -0.13 2.90 1.43 -1.26 -0.73 118.68 122.92 2bfv s LEU 4 Ca -0.05 -0.30 -0.01 0.00 -1.03 0.00 0.00 54.13 52.73 2bfv s LEU 4 Cb -0.10 -0.83 0.04 0.00 0.03 0.00 0.00 46.19 45.33 2bfv s LEU 4 CO 0.00 0.05 -0.01 -1.58 0.23 0.00 0.00 176.35 175.04 2bfv s GLN 5 N 0.58 0.91 0.20 1.70 0.74 0.13 -4.02 119.66 119.90 2bfv s GLN 5 Ca -0.13 -0.23 -0.10 0.00 0.05 0.00 0.00 55.36 54.94 2bfv s GLN 5 Cb -0.15 -1.62 -0.07 0.00 1.10 0.00 0.00 33.01 32.27 2bfv s GLN 5 CO 0.04 -0.43 0.53 -1.21 -0.55 0.00 0.00 175.29 173.67 2bfv s GLU 6 N 1.83 3.83 0.24 1.67 8.01 -1.26 -0.88 118.70 132.15 2bfv s GLU 6 Ca 0.02 0.30 -0.07 0.00 0.01 0.00 0.00 54.97 55.23 2bfv s GLU 6 Cb -0.14 -2.74 -0.02 0.00 -4.31 0.00 0.00 34.13 26.92 2bfv s GLU 6 CO -0.07 0.37 0.35 -1.54 0.01 0.00 0.00 175.26 174.39 2bfv s SER 7 N -2.18 0.14 0.00 -0.19 1.04 0.28 -4.70 113.70 108.09 2bfv s SER 7 Ca 0.44 -1.17 0.00 0.00 0.48 0.00 0.00 55.95 55.70 2bfv s SER 7 Cb -0.12 0.52 0.00 0.00 0.10 0.00 0.00 66.02 66.52 2bfv s SER 7 CO 0.21 -1.05 0.00 0.61 0.98 0.00 0.00 173.24 173.99 2bfv n GLY 8 N -0.37 0.68 3.77 7.32 0.00 -1.26 -1.74 105.19 113.59 2bfv n GLY 8 Ca 0.00 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.73 2bfv n GLY 8 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 2bfv s GLY 9 N -1.40 1.64 0.00 -0.02 0.00 -1.26 -4.85 107.32 101.43 2bfv s GLY 9 Ca 0.00 -0.85 0.00 0.00 0.00 0.00 0.00 44.72 43.87 2bfv s GLY 9 CO 0.00 -0.13 0.00 0.61 0.00 0.00 0.00 173.10 173.58 2bfv n GLY 10 N -2.29 0.69 3.69 0.20 0.00 0.55 -4.92 105.19 103.09 2bfv n GLY 10 Ca 0.11 -1.62 -0.41 0.00 0.00 0.00 0.00 46.02 44.10 2bfv n GLY 10 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 2bfv s LEU 11 N 0.00 4.23 0.11 0.99 0.20 -1.26 -0.37 118.68 122.59 2bfv s LEU 11 Ca 0.00 1.27 0.10 0.00 0.69 0.00 0.00 54.13 56.19 2bfv s LEU 11 Cb 0.00 -3.27 -0.04 0.00 -0.43 0.00 0.00 46.19 42.45 2bfv s LEU 11 CO 0.00 -0.33 -0.25 0.68 -0.29 0.00 0.00 176.35 176.16 2bfv s VAL 12 N 1.73 2.34 0.26 1.68 -7.23 -0.65 -4.95 120.40 113.57 2bfv s VAL 12 Ca 0.41 -1.65 -0.23 0.00 -1.81 0.00 0.00 61.98 58.69 2bfv s VAL 12 Cb -0.17 -2.02 -0.09 0.00 0.56 0.00 0.00 36.38 34.65 2bfv s VAL 12 CO 0.16 0.14 0.83 0.20 -0.31 0.00 0.00 175.10 176.11 2bfv s ASN 13 N -1.93 7.22 0.36 4.85 0.01 -1.26 -0.65 114.94 123.54 2bfv s ASN 13 Ca 0.14 1.63 -0.28 0.00 -0.71 0.00 0.00 52.86 53.64 2bfv s ASN 13 Cb -0.10 -2.50 -0.11 0.00 0.41 0.00 0.00 41.25 38.95 2bfv s ASN 13 CO 0.06 0.01 1.45 -0.22 -1.51 0.00 0.00 177.10 176.89 2bfv s LEU 14 N -1.90 4.34 0.00 0.60 2.96 0.78 -1.31 118.68 124.15 2bfv s LEU 14 Ca 0.45 2.96 0.00 0.00 -0.22 0.00 0.00 54.13 57.33 2bfv s LEU 14 Cb -0.18 -3.66 0.00 0.00 0.50 0.00 0.00 46.19 42.84 2bfv s LEU 14 CO 0.23 -0.80 0.00 0.61 -1.32 0.00 0.00 176.35 175.07 2bfv n GLY 15 N 0.61 1.43 0.00 7.98 0.00 0.16 -4.91 105.19 110.47 2bfv n GLY 15 Ca 0.01 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.03 2bfv n GLY 15 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2bfv n GLY 16 N -2.00 -0.87 3.20 -0.02 0.00 -0.42 -3.70 105.19 101.37 2bfv n GLY 16 Ca 0.00 -1.58 -0.10 0.00 0.00 0.00 0.00 46.02 44.34 2bfv n GLY 16 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2bfv s SER 17 N -1.08 0.05 0.09 1.61 1.04 -1.26 -1.19 113.70 112.96 2bfv s SER 17 Ca 0.00 -0.49 -0.09 0.00 0.48 0.00 0.00 55.95 55.85 2bfv s SER 17 Cb 0.00 0.33 0.00 0.00 0.10 0.00 0.00 66.02 66.45 2bfv s SER 17 CO 0.00 -0.65 0.21 0.00 0.98 0.00 0.00 173.24 173.78 2bfv s MET 18 N -3.23 0.87 -0.18 4.02 0.23 -0.28 -4.93 119.30 115.80 2bfv s MET 18 Ca 0.00 -0.94 -0.02 0.00 -1.03 0.00 0.00 55.69 53.70 2bfv s MET 18 Cb 0.02 0.35 0.05 0.00 -1.53 0.00 0.00 34.83 33.73 2bfv s MET 18 CO -0.08 -0.28 -0.00 0.99 -2.03 0.00 0.00 175.02 173.62 2bfv s THR 19 N -3.86 0.79 -0.07 3.16 2.01 -1.26 -2.10 115.64 114.31 2bfv s THR 19 Ca 0.05 -0.60 -0.11 0.00 0.31 0.00 0.00 61.69 61.35 2bfv s THR 19 Cb 0.05 -1.15 -0.05 0.00 0.01 0.00 0.00 72.50 71.36 2bfv s THR 19 CO -0.11 -0.06 0.26 -0.76 -0.69 0.00 0.00 174.62 173.26 2bfv s LEU 20 N 1.75 4.41 0.07 4.42 1.43 0.12 -4.70 118.68 126.19 2bfv s LEU 20 Ca -0.01 0.68 0.08 0.00 -1.03 0.00 0.00 54.13 53.85 2bfv s LEU 20 Cb -0.16 -2.30 -0.03 0.00 0.03 0.00 0.00 46.19 43.72 2bfv s LEU 20 CO -0.07 0.35 -0.20 -0.44 0.23 0.00 0.00 176.35 176.22 2bfv s SER 21 N -0.94 3.71 -0.06 2.29 0.01 -0.71 -0.62 113.70 117.38 2bfv s SER 21 Ca 0.19 -0.51 -0.02 0.00 1.31 0.00 0.00 55.95 56.91 2bfv s SER 21 Cb -0.14 -0.52 0.03 0.00 0.21 0.00 0.00 66.02 65.60 2bfv s SER 21 CO 0.08 0.23 0.06 0.00 0.41 0.00 0.00 173.24 174.02 2bfv s VAL 23 N 2.16 4.04 0.08 0.00 0.11 -0.06 -0.27 120.40 126.47 2bfv s VAL 23 Ca 0.05 -0.29 0.04 0.00 -2.93 0.00 0.00 61.98 58.84 2bfv s VAL 23 Cb -0.13 -2.82 -0.04 0.00 -1.53 0.00 0.00 36.38 31.87 2bfv s VAL 23 CO -0.04 0.44 0.05 0.00 -3.33 0.00 0.00 175.10 172.22 2bfv s ALA 24 N 0.81 3.47 0.09 1.54 0.00 -0.77 0.17 121.76 127.07 2bfv s ALA 24 Ca 0.01 -1.04 -0.24 0.00 0.00 0.00 0.00 51.96 50.68 2bfv s ALA 24 Cb -0.14 -1.35 0.06 0.00 0.00 0.00 0.00 23.12 21.69 2bfv s ALA 24 CO 0.02 0.73 0.58 -1.54 0.00 0.00 0.00 175.76 175.56 2bfv s SER 25 N -2.34 -0.54 0.00 0.00 1.04 0.09 -4.91 113.70 107.05 2bfv s SER 25 Ca 0.28 0.17 0.00 0.00 0.48 0.00 0.00 55.95 56.88 2bfv s SER 25 Cb -0.12 0.55 0.00 0.00 0.10 0.00 0.00 66.02 66.55 2bfv s SER 25 CO 0.20 -0.83 0.00 0.61 0.98 0.00 0.00 173.24 174.21 2bfv n GLY 26 N 0.09 0.63 3.52 7.32 0.00 -1.24 -1.28 105.19 114.21 2bfv n GLY 26 Ca -0.18 -0.45 -0.09 0.00 0.00 0.00 0.00 46.02 45.30 2bfv n GLY 26 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 2bfv s PHE 27 N -2.00 -0.36 -0.75 1.61 -0.71 -1.26 -4.18 117.98 110.33 2bfv s PHE 27 Ca 0.00 0.32 -0.26 0.00 -1.04 0.00 0.00 56.93 55.95 2bfv s PHE 27 Cb 0.00 0.52 -0.03 0.00 -1.21 0.00 0.00 43.02 42.30 2bfv s PHE 27 CO 0.00 -0.51 1.90 0.99 -1.34 0.00 0.00 175.22 176.26 2bfv s THR 28 N -2.70 3.40 0.17 -4.49 2.01 -1.26 -4.85 115.64 107.93 2bfv s THR 28 Ca 0.03 -0.08 -0.20 0.00 0.31 0.00 0.00 61.69 61.75 2bfv s THR 28 Cb -0.01 -3.98 0.10 0.00 0.01 0.00 0.00 72.50 68.62 2bfv s THR 28 CO -0.06 -0.94 1.61 0.15 -0.69 0.00 0.00 174.62 174.69 2bfv h PHE 29 N 13.16 -0.69 0.00 4.92 3.57 -1.95 -2.81 116.94 133.14 2bfv h PHE 29 Ca -0.09 0.05 0.00 0.00 3.53 0.00 0.00 57.97 61.47 2bfv h PHE 29 Cb 1.09 0.37 0.00 0.00 2.79 0.00 0.00 35.95 40.19 2bfv h PHE 29 CO 1.13 -0.33 0.00 0.27 -2.23 0.00 0.00 178.31 177.14 2bfv n ASN 30 N -5.41 0.49 -0.94 0.41 2.04 -1.26 -2.31 115.26 108.28 2bfv n ASN 30 Ca 0.02 0.71 0.12 0.00 -0.44 0.00 0.00 54.58 54.99 2bfv n ASN 30 Cb 0.32 -0.78 0.21 0.00 -2.53 0.00 0.00 39.78 37.00 2bfv n ASN 30 CO 0.00 0.00 0.00 0.41 -0.44 0.00 0.00 177.26 177.23 2bfv n THR 31 N -2.14 0.19 -4.86 5.53 -1.04 -1.06 -4.52 114.28 106.38 2bfv n THR 31 Ca -0.01 -0.55 -0.29 0.00 -2.04 0.00 0.00 64.05 61.17 2bfv n THR 31 Cb 0.06 1.12 -0.15 0.00 -1.82 0.00 0.00 70.33 69.54 2bfv n THR 31 CO 0.00 0.00 0.00 -0.31 -0.64 0.00 0.00 175.07 174.12 2bfv s TYR 32 N -1.81 2.16 0.42 -1.42 2.02 -0.98 -4.88 117.35 112.87 2bfv s TYR 32 Ca 0.33 -0.40 -0.21 0.00 -0.37 0.00 0.00 57.07 56.42 2bfv s TYR 32 Cb 0.21 -1.30 -0.11 0.00 -0.40 0.00 0.00 41.96 40.36 2bfv s TYR 32 CO 0.31 0.10 0.95 0.71 -1.57 0.00 0.00 175.55 176.05 2bfv s TYR 33 N -0.78 3.34 0.18 2.71 1.51 -1.26 -3.79 117.35 119.26 2bfv s TYR 33 Ca 0.10 1.62 0.04 0.00 -1.01 0.00 0.00 57.07 57.82 2bfv s TYR 33 Cb -0.10 -2.86 -0.05 0.00 -0.11 0.00 0.00 41.96 38.84 2bfv s TYR 33 CO 0.02 -0.10 -0.04 -1.64 -1.11 0.00 0.00 175.55 172.68 2bfv s MET 34 N -3.08 1.17 0.26 -0.62 -1.94 -0.45 -2.46 119.30 112.18 2bfv s MET 34 Ca 0.61 -1.55 -0.05 0.00 -1.71 0.00 0.00 55.69 52.99 2bfv s MET 34 Cb -0.10 -0.54 -0.02 0.00 2.01 0.00 0.00 34.83 36.18 2bfv s MET 34 CO 0.14 -0.03 0.35 -1.54 -0.01 0.00 0.00 175.02 173.93 2bfv s SER 35 N -3.22 0.37 -0.06 3.03 1.04 -0.70 -0.86 113.70 113.30 2bfv s SER 35 Ca 0.23 -1.28 0.01 0.00 0.48 0.00 0.00 55.95 55.38 2bfv s SER 35 Cb 0.04 0.53 0.02 0.00 0.10 0.00 0.00 66.02 66.72 2bfv s SER 35 CO 0.04 -1.07 -0.06 0.26 0.98 0.00 0.00 173.24 173.38 2bfv s TRP 36 N -3.78 1.02 0.01 5.02 0.52 -0.30 -2.20 118.94 119.21 2bfv s TRP 36 Ca 0.31 -0.35 0.06 0.00 0.02 0.00 0.00 56.10 56.14 2bfv s TRP 36 Cb 0.02 -0.86 -0.02 0.00 -1.15 0.00 0.00 33.47 31.47 2bfv s TRP 36 CO 0.14 -0.27 -0.18 0.08 0.02 0.00 0.00 176.95 176.74 2bfv s VAL 37 N 1.06 1.45 0.06 4.03 1.01 0.16 -0.84 120.40 127.33 2bfv s VAL 37 Ca -0.08 -0.90 0.08 0.00 0.00 0.00 0.00 61.98 61.08 2bfv s VAL 37 Cb -0.14 -1.23 -0.03 0.00 0.00 0.00 0.00 36.38 34.98 2bfv s VAL 37 CO -0.01 0.31 -0.23 0.00 0.00 0.00 0.00 175.10 175.18 2bfv s ARG 38 N -0.68 1.45 -0.24 2.72 1.70 -0.48 -0.09 118.95 123.32 2bfv s ARG 38 Ca 0.06 -1.05 0.01 0.00 -0.47 0.00 0.00 55.73 54.29 2bfv s ARG 38 Cb -0.07 -1.64 0.04 0.00 -0.57 0.00 0.00 34.95 32.71 2bfv s ARG 38 CO 0.00 0.41 -0.11 -1.14 -1.08 0.00 0.00 175.30 173.38 2bfv s GLN 39 N -1.37 2.52 0.81 3.89 0.74 0.16 -1.35 119.66 125.05 2bfv s GLN 39 Ca 0.09 -1.17 -0.12 0.00 0.05 0.00 0.00 55.36 54.22 2bfv s GLN 39 Cb -0.09 -2.85 0.08 0.00 1.10 0.00 0.00 33.01 31.24 2bfv s GLN 39 CO 0.03 -0.46 1.12 0.95 -0.55 0.00 0.00 175.29 176.37 2bfv s THR 40 N 1.19 2.71 -0.77 -0.34 -4.23 -0.16 -0.85 115.64 113.20 2bfv s THR 40 Ca -0.04 0.23 0.09 0.00 -1.18 0.00 0.00 61.69 60.79 2bfv s THR 40 Cb -0.18 -3.08 0.09 0.00 1.34 0.00 0.00 72.50 70.67 2bfv s THR 40 CO -0.06 -0.30 1.28 -2.65 -0.54 0.00 0.00 174.62 172.35 2bfv n PRO 41 N -3.39 0.05 0.11 3.99 -0.02 -1.26 0.01 135.00 134.49 2bfv n PRO 41 Ca 0.07 0.49 0.12 0.00 -2.02 0.00 0.00 63.50 62.16 2bfv n PRO 41 Cb 0.58 -1.64 0.25 0.00 -0.02 0.00 0.00 33.50 32.68 2bfv n PRO 41 CO 0.00 0.00 0.00 0.93 1.98 0.00 0.00 175.50 178.41 2bfv h GLU 42 N 0.00 0.00 0.00 -0.52 3.07 -1.97 -3.47 114.58 111.70 2bfv h GLU 42 Ca 0.00 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 58.86 2bfv h GLU 42 Cb 0.07 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 27.98 2bfv h GLU 42 CO 0.00 0.00 0.00 1.63 -1.40 0.00 0.00 179.01 179.24 2bfv n LYS 43 N -2.42 0.00 -3.07 2.33 4.76 0.10 -5.04 118.16 114.83 2bfv n LYS 43 Ca 0.04 0.06 -0.39 0.00 -2.87 0.00 0.00 58.31 55.14 2bfv n LYS 43 Cb 0.46 -2.15 -0.05 0.00 -1.84 0.00 0.00 35.03 31.46 2bfv n LYS 43 CO 0.00 0.00 0.00 0.99 -1.37 0.00 0.00 177.40 177.02 2bfv s THR 44 N -2.00 4.92 -0.11 -0.18 2.01 -1.25 -4.85 115.64 114.18 2bfv s THR 44 Ca 0.00 1.44 -0.05 0.00 0.31 0.00 0.00 61.69 63.39 2bfv s THR 44 Cb 0.00 -4.03 -0.04 0.00 0.01 0.00 0.00 72.50 68.44 2bfv s THR 44 CO 0.00 0.33 0.09 -0.76 -0.69 0.00 0.00 174.62 173.58 2bfv s LEU 45 N 0.30 4.07 -0.04 4.42 1.43 -1.26 -0.98 118.68 126.62 2bfv s LEU 45 Ca 0.36 0.33 -0.03 0.00 -1.03 0.00 0.00 54.13 53.77 2bfv s LEU 45 Cb -0.19 -1.97 0.02 0.00 0.03 0.00 0.00 46.19 44.08 2bfv s LEU 45 CO 0.19 0.39 0.09 -0.70 0.23 0.00 0.00 176.35 176.55 2bfv s GLU 46 N -0.91 0.09 -0.43 1.70 2.12 -0.46 -4.99 118.70 115.82 2bfv s GLU 46 Ca 0.14 0.18 -0.27 0.00 0.36 0.00 0.00 54.97 55.37 2bfv s GLU 46 Cb -0.12 -0.02 0.02 0.00 0.26 0.00 0.00 34.13 34.27 2bfv s GLU 46 CO 0.03 -0.06 1.03 -1.17 -0.54 0.00 0.00 175.26 174.56 2bfv s LEU 47 N 0.37 3.85 0.02 2.70 2.96 -1.26 -1.38 118.68 125.93 2bfv s LEU 47 Ca -0.03 0.50 -0.17 0.00 -0.22 0.00 0.00 54.13 54.22 2bfv s LEU 47 Cb -0.04 -3.40 -0.32 0.00 0.50 0.00 0.00 46.19 42.93 2bfv s LEU 47 CO -0.01 -1.06 1.03 0.58 -1.32 0.00 0.00 176.35 175.56 2bfv h VAL 48 N 6.03 1.33 -1.73 1.68 2.07 -1.35 -3.41 116.25 120.87 2bfv h VAL 48 Ca -0.23 -2.54 0.03 0.00 0.82 0.00 0.00 66.70 64.78 2bfv h VAL 48 Cb 1.07 2.92 -0.21 0.00 -1.52 0.00 0.00 31.29 33.54 2bfv h VAL 48 CO 1.06 0.76 0.41 0.00 0.02 0.00 0.00 177.57 179.82 2bfv s ALA 49 N -2.75 -1.87 0.04 1.67 0.00 -1.18 -3.99 121.76 113.67 2bfv s ALA 49 Ca -0.10 1.48 0.06 0.00 0.00 0.00 0.00 51.96 53.40 2bfv s ALA 49 Cb 0.04 -0.43 -0.02 0.00 0.00 0.00 0.00 23.12 22.70 2bfv s ALA 49 CO 0.91 -0.34 -0.17 0.00 0.00 0.00 0.00 175.76 176.17 2bfv s ALA 50 N -1.17 1.42 0.01 0.00 0.00 -0.81 -1.15 121.76 120.06 2bfv s ALA 50 Ca -0.05 -0.92 -0.00 0.00 0.00 0.00 0.00 51.96 50.99 2bfv s ALA 50 Cb -0.00 -0.25 -0.01 0.00 0.00 0.00 0.00 23.12 22.86 2bfv s ALA 50 CO 0.04 0.30 -0.00 -1.50 0.00 0.00 0.00 175.76 174.60 2bfv s ILE 51 N -0.81 0.04 0.68 0.00 2.07 -0.04 -1.84 121.20 121.30 2bfv s ILE 51 Ca 0.04 -0.34 -0.02 0.00 -1.41 0.00 0.00 60.65 58.92 2bfv s ILE 51 Cb -0.08 -0.11 0.09 0.00 0.13 0.00 0.00 42.46 42.48 2bfv s ILE 51 CO 0.01 -0.19 0.95 0.54 -1.91 0.00 0.00 174.94 174.34 2bfv s ASN 52 N -0.55 4.65 0.31 4.50 6.03 0.01 -1.34 114.94 128.54 2bfv s ASN 52 Ca -0.06 -0.08 0.06 0.00 -1.03 0.00 0.00 52.86 51.75 2bfv s ASN 52 Cb -0.04 -0.48 0.83 0.00 -3.03 0.00 0.00 41.25 38.53 2bfv s ASN 52 CO -0.00 -1.64 1.65 0.28 -2.03 0.00 0.00 177.10 175.36 2bfv h SER 53 N -0.41 0.16 0.40 3.54 0.02 -1.81 0.14 113.55 115.60 2bfv h SER 53 Ca -0.40 0.20 0.00 0.00 -0.84 0.00 0.00 61.79 60.75 2bfv h SER 53 Cb 1.28 0.23 0.00 0.00 0.14 0.00 0.00 62.40 64.05 2bfv h SER 53 CO 0.47 -0.15 0.00 0.47 -1.14 0.00 0.00 176.83 176.48 2bfv n ASP 54 N -5.17 0.00 -0.43 3.07 8.00 -1.26 -4.80 116.55 115.95 2bfv n ASP 54 Ca 0.25 0.16 -0.01 0.00 0.71 0.00 0.00 54.79 55.89 2bfv n ASP 54 Cb 0.78 -0.34 0.00 0.00 -0.02 0.00 0.00 41.12 41.54 2bfv n ASP 54 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 2bfv n GLY 55 N 0.22 0.66 3.06 0.44 0.00 0.50 -5.05 105.19 105.02 2bfv n GLY 55 Ca 0.07 -0.72 -0.30 0.00 0.00 0.00 0.00 46.02 45.07 2bfv n GLY 55 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 2bfv s GLU 56 N -4.66 2.37 0.04 1.61 2.12 -1.25 -4.79 118.70 114.15 2bfv s GLU 56 Ca 0.02 -0.61 -0.31 0.00 0.36 0.00 0.00 54.97 54.43 2bfv s GLU 56 Cb -0.01 -2.06 -0.10 0.00 0.26 0.00 0.00 34.13 32.22 2bfv s GLU 56 CO 0.02 -0.12 1.90 -2.30 -0.54 0.00 0.00 175.26 174.22 2bfv n PRO 57 N 4.40 2.67 0.00 4.30 -0.02 -1.26 -0.81 135.00 144.28 2bfv n PRO 57 Ca -0.18 0.98 0.09 0.00 -2.02 0.00 0.00 63.50 62.36 2bfv n PRO 57 Cb 0.51 -2.89 -0.03 0.00 -0.02 0.00 0.00 33.50 31.08 2bfv n PRO 57 CO 0.00 0.00 0.00 0.44 1.98 0.00 0.00 175.50 177.92 2bfv n ILE 58 N 5.13 0.00 -3.64 4.25 -5.35 -0.76 -4.92 119.36 114.06 2bfv n ILE 58 Ca 0.20 -0.26 -0.06 0.00 -0.27 0.00 0.00 62.75 62.36 2bfv n ILE 58 Cb 0.37 1.16 -0.07 0.00 -1.74 0.00 0.00 39.64 39.36 2bfv n ILE 58 CO 0.00 0.00 0.00 -0.47 -1.76 0.00 0.00 176.55 174.32 2bfv s TYR 59 N -2.20 -0.26 -0.07 4.28 5.04 -1.22 -4.95 117.35 117.97 2bfv s TYR 59 Ca 0.13 0.64 -0.05 0.00 -2.44 0.00 0.00 57.07 55.35 2bfv s TYR 59 Cb 0.14 0.42 0.03 0.00 0.35 0.00 0.00 41.96 42.90 2bfv s TYR 59 CO 0.51 -0.13 0.16 0.71 -1.34 0.00 0.00 175.55 175.47 2bfv s TYR 60 N 0.15 -0.19 0.67 4.97 2.02 -1.26 -1.92 117.35 121.78 2bfv s TYR 60 Ca 0.05 0.49 -0.17 0.00 -0.37 0.00 0.00 57.07 57.06 2bfv s TYR 60 Cb -0.05 0.01 -0.00 0.00 -0.40 0.00 0.00 41.96 41.52 2bfv s TYR 60 CO -0.11 -0.13 1.29 -1.25 -1.57 0.00 0.00 175.55 173.78 2bfv s PRO 61 N 0.59 2.44 0.14 -1.71 0.04 -1.26 -4.71 135.00 130.54 2bfv s PRO 61 Ca -0.04 2.04 -0.18 0.00 0.04 0.00 0.00 61.00 62.86 2bfv s PRO 61 Cb -0.06 -1.83 0.03 0.00 0.04 0.00 0.00 34.50 32.68 2bfv s PRO 61 CO -0.03 -1.68 1.71 -0.44 0.04 0.00 0.00 177.00 176.61 2bfv h ASP 62 N 0.38 -0.09 -0.36 6.66 3.32 -1.98 0.15 116.42 124.49 2bfv h ASP 62 Ca -0.50 0.06 0.11 0.00 0.02 0.00 0.00 57.03 56.71 2bfv h ASP 62 Cb 1.33 0.11 -0.01 0.00 0.22 0.00 0.00 39.33 40.98 2bfv h ASP 62 CO 0.52 -0.01 0.41 0.71 -1.72 0.00 0.00 179.24 179.15 2bfv h THR 63 N 0.10 0.38 0.00 0.35 1.35 -2.03 -2.47 112.91 110.59 2bfv h THR 63 Ca 0.14 0.00 -0.03 0.00 -0.55 0.00 0.00 66.41 65.97 2bfv h THR 63 Cb 0.18 0.67 -0.01 0.00 -1.73 0.00 0.00 68.15 67.27 2bfv h THR 63 CO -0.23 0.00 -1.55 0.18 -0.25 0.00 0.00 175.52 173.68 2bfv n LEU 64 N -3.70 0.00 -4.66 3.87 4.77 -0.80 -4.95 117.00 111.53 2bfv n LEU 64 Ca 0.06 0.00 -0.50 0.00 -0.03 0.00 0.00 56.01 55.54 2bfv n LEU 64 Cb 0.57 0.04 -0.05 0.00 -2.33 0.00 0.00 43.42 41.65 2bfv n LEU 64 CO 0.27 0.04 1.23 0.29 -1.33 0.00 0.00 177.39 177.89 2bfv n LYS 65 N -1.97 1.76 0.00 3.23 5.02 0.46 -1.64 118.16 125.02 2bfv n LYS 65 Ca -0.04 0.64 0.00 0.00 -2.02 0.00 0.00 58.31 56.88 2bfv n LYS 65 Cb 0.38 -2.38 0.00 0.00 -0.02 0.00 0.00 35.03 33.00 2bfv n LYS 65 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 2bfv n GLY 66 N 3.61 2.96 1.24 0.72 0.00 -1.26 -4.89 105.19 107.57 2bfv n GLY 66 Ca 0.20 -0.80 0.12 0.00 0.00 0.00 0.00 46.02 45.54 2bfv n GLY 66 CO 0.00 0.00 0.00 -0.96 0.00 0.00 0.00 173.32 172.36 2bfv n ARG 67 N 0.00 2.62 -5.28 1.61 1.85 -0.65 -4.92 116.66 111.90 2bfv n ARG 67 Ca 0.00 -2.48 -0.31 0.00 -1.00 0.00 0.00 57.85 54.06 2bfv n ARG 67 Cb 0.00 -1.53 -0.16 0.00 -1.05 0.00 0.00 32.46 29.71 2bfv n ARG 67 CO 0.00 0.00 0.00 0.54 -0.01 0.00 0.00 177.63 178.16 2bfv s VAL 68 N -1.20 2.05 -0.03 8.89 0.11 -1.19 -0.53 120.40 128.49 2bfv s VAL 68 Ca 0.43 -1.08 0.01 0.00 -2.93 0.00 0.00 61.98 58.42 2bfv s VAL 68 Cb 0.24 -1.73 0.02 0.00 -1.53 0.00 0.00 36.38 33.38 2bfv s VAL 68 CO 0.32 0.57 -0.03 -0.89 -3.33 0.00 0.00 175.10 171.74 2bfv s THR 69 N -0.27 0.41 -0.08 5.04 2.01 0.16 -4.93 115.64 117.99 2bfv s THR 69 Ca -0.00 -0.08 0.03 0.00 0.31 0.00 0.00 61.69 61.95 2bfv s THR 69 Cb -0.13 -0.44 0.01 0.00 0.01 0.00 0.00 72.50 71.95 2bfv s THR 69 CO 0.03 0.18 -0.18 -0.51 -0.69 0.00 0.00 174.62 173.45 2bfv s ILE 70 N 0.76 1.61 0.22 1.82 2.07 -1.26 0.46 121.20 126.88 2bfv s ILE 70 Ca -0.09 -0.76 -0.03 0.00 -1.41 0.00 0.00 60.65 58.36 2bfv s ILE 70 Cb -0.12 -1.42 -0.03 0.00 0.13 0.00 0.00 42.46 41.01 2bfv s ILE 70 CO -0.00 0.46 0.22 -0.94 -1.91 0.00 0.00 174.94 172.76 2bfv s SER 71 N 0.51 0.15 -0.02 4.50 1.04 -0.95 -4.64 113.70 114.28 2bfv s SER 71 Ca -0.17 -1.30 -0.08 0.00 0.48 0.00 0.00 55.95 54.89 2bfv s SER 71 Cb -0.17 0.44 0.01 0.00 0.10 0.00 0.00 66.02 66.40 2bfv s SER 71 CO 0.06 -0.92 0.18 0.00 0.98 0.00 0.00 173.24 173.54 2bfv s ARG 72 N -4.09 0.43 -0.51 4.02 1.70 -1.26 -0.13 118.95 119.10 2bfv s ARG 72 Ca 0.35 -0.16 0.04 0.00 -0.47 0.00 0.00 55.73 55.49 2bfv s ARG 72 Cb 0.05 0.18 0.13 0.00 -0.57 0.00 0.00 34.95 34.75 2bfv s ARG 72 CO 0.12 -0.10 0.26 0.34 -1.08 0.00 0.00 175.30 174.84 2bfv s ASP 73 N -0.91 4.23 0.29 -2.89 -1.08 0.17 -4.95 116.67 111.54 2bfv s ASP 73 Ca -0.10 -2.98 0.04 0.00 -0.52 0.00 0.00 52.55 48.99 2bfv s ASP 73 Cb -0.05 -1.57 0.71 0.00 -1.46 0.00 0.00 42.92 40.55 2bfv s ASP 73 CO 0.01 -0.23 1.75 0.78 0.52 0.00 0.00 175.17 178.00 2bfv h ASN 74 N 6.51 0.62 -0.51 -0.34 -0.26 -1.95 0.33 115.58 119.98 2bfv h ASN 74 Ca -0.07 0.11 -0.00 0.00 -0.56 0.00 0.00 56.30 55.78 2bfv h ASN 74 Cb 0.89 0.01 -0.03 0.00 -1.06 0.00 0.00 38.32 38.14 2bfv h ASN 74 CO 0.66 0.18 0.30 0.00 -1.06 0.00 0.00 177.43 177.52 2bfv h ALA 75 N 1.65 1.55 0.00 -0.83 0.00 -1.94 -0.99 119.26 118.71 2bfv h ALA 75 Ca 0.56 -0.07 0.00 0.00 0.00 0.00 0.00 54.91 55.40 2bfv h ALA 75 Cb 0.92 -0.21 0.00 0.00 0.00 0.00 0.00 17.79 18.50 2bfv h ALA 75 CO -0.42 0.39 -0.91 1.63 0.00 0.00 0.00 179.25 179.94 2bfv n LYS 76 N -4.42 0.42 -2.73 0.00 5.02 0.24 -4.96 118.16 111.74 2bfv n LYS 76 Ca 0.05 0.07 -0.16 0.00 -2.02 0.00 0.00 58.31 56.24 2bfv n LYS 76 Cb 0.08 -1.71 0.02 0.00 -0.02 0.00 0.00 35.03 33.40 2bfv n LYS 76 CO 0.00 0.00 0.00 1.63 -0.52 0.00 0.00 177.40 178.51 2bfv n LYS 77 N -2.30 -3.24 -5.18 1.97 5.02 0.91 -4.88 118.16 110.46 2bfv n LYS 77 Ca 0.01 0.69 -0.31 0.00 -2.02 0.00 0.00 58.31 56.68 2bfv n LYS 77 Cb 0.49 -5.06 -0.15 0.00 -0.02 0.00 0.00 35.03 30.28 2bfv n LYS 77 CO 0.00 0.00 0.00 0.99 -0.52 0.00 0.00 177.40 177.87 2bfv s THR 78 N -2.97 2.14 -0.07 -0.18 2.01 -0.91 -1.86 115.64 113.80 2bfv s THR 78 Ca 0.19 -1.16 0.02 0.00 0.31 0.00 0.00 61.69 61.05 2bfv s THR 78 Cb -0.08 -1.77 -0.02 0.00 0.01 0.00 0.00 72.50 70.63 2bfv s THR 78 CO 0.23 0.53 -0.13 -0.22 -0.69 0.00 0.00 174.62 174.34 2bfv s LEU 79 N -0.78 2.81 0.20 4.42 2.96 0.63 0.43 118.68 129.34 2bfv s LEU 79 Ca 0.11 -0.20 0.10 0.00 -0.22 0.00 0.00 54.13 53.92 2bfv s LEU 79 Cb -0.10 -1.59 -0.04 0.00 0.50 0.00 0.00 46.19 44.96 2bfv s LEU 79 CO -0.00 0.31 -0.20 -0.31 -1.32 0.00 0.00 176.35 174.83 2bfv s TYR 80 N -0.50 2.02 -0.05 5.38 2.02 0.81 0.18 117.35 127.21 2bfv s TYR 80 Ca 0.07 -0.42 0.01 0.00 -0.37 0.00 0.00 57.07 56.35 2bfv s TYR 80 Cb -0.12 -0.97 0.02 0.00 -0.40 0.00 0.00 41.96 40.49 2bfv s TYR 80 CO 0.02 0.45 -0.04 -1.17 -1.57 0.00 0.00 175.55 173.23 2bfv s LEU 81 N -2.88 1.25 -0.10 -1.29 2.96 0.21 -2.24 118.68 116.59 2bfv s LEU 81 Ca 0.20 -0.14 0.02 0.00 -0.22 0.00 0.00 54.13 53.99 2bfv s LEU 81 Cb -0.06 -0.48 0.01 0.00 0.50 0.00 0.00 46.19 46.16 2bfv s LEU 81 CO 0.09 -0.07 -0.15 -1.10 -1.32 0.00 0.00 176.35 173.80 2bfv s GLN 82 N 1.06 2.16 -0.03 1.98 -0.21 0.17 0.13 119.66 124.92 2bfv s GLN 82 Ca -0.09 -0.54 0.06 0.00 0.02 0.00 0.00 55.36 54.81 2bfv s GLN 82 Cb -0.14 -1.83 -0.01 0.00 1.00 0.00 0.00 33.01 32.03 2bfv s GLN 82 CO -0.01 -0.04 -0.22 -1.64 -2.12 0.00 0.00 175.29 171.26 2bfv s MET 83 N 0.93 1.94 0.41 2.91 -1.94 -0.89 0.39 119.30 123.04 2bfv s MET 83 Ca -0.08 -0.78 0.07 0.00 -1.71 0.00 0.00 55.69 53.19 2bfv s MET 83 Cb -0.15 -1.78 -0.08 0.00 2.01 0.00 0.00 34.83 34.83 2bfv s MET 83 CO -0.00 0.42 0.01 -1.54 -0.01 0.00 0.00 175.02 173.89 2bfv s SER 84 N -0.35 3.88 -1.51 3.03 1.04 0.31 -1.12 113.70 118.97 2bfv s SER 84 Ca 0.04 -1.36 -0.05 0.00 0.48 0.00 0.00 55.95 55.07 2bfv s SER 84 Cb -0.10 -0.40 0.04 0.00 0.10 0.00 0.00 66.02 65.66 2bfv s SER 84 CO 0.01 -0.43 0.44 -1.20 0.98 0.00 0.00 173.24 173.04 2bfv n SER 85 N -0.96 -0.85 -4.57 7.02 7.64 -0.34 -4.80 113.62 116.75 2bfv n SER 85 Ca -0.05 -1.05 -0.41 0.00 1.01 0.00 0.00 58.87 58.37 2bfv n SER 85 Cb 0.67 -2.75 0.02 0.00 -1.01 0.00 0.00 64.21 61.14 2bfv n SER 85 CO 0.00 0.00 0.00 0.18 -3.01 0.00 0.00 175.04 172.21 2bfv n LEU 86 N -4.42 2.14 0.00 -3.43 4.77 -0.94 -4.63 117.00 110.48 2bfv n LEU 86 Ca -0.22 0.97 -0.25 0.00 -0.03 0.00 0.00 56.01 56.48 2bfv n LEU 86 Cb 0.64 -1.30 -0.07 0.00 -2.33 0.00 0.00 43.42 40.35 2bfv n LEU 86 CO 0.79 -1.87 -0.16 -0.46 -1.33 0.00 0.00 177.39 174.37 2bfv n ASN 87 N 0.51 1.00 0.24 -1.43 0.23 -1.26 0.36 115.26 114.91 2bfv n ASN 87 Ca 0.10 -3.21 0.16 0.00 -0.53 0.00 0.00 54.58 51.10 2bfv n ASN 87 Cb 0.40 1.13 0.59 0.00 -2.08 0.00 0.00 39.78 39.82 2bfv n ASN 87 CO 0.00 0.00 0.00 -0.26 -0.93 0.00 0.00 177.26 176.07 2bfv h PHE 88 N 1.73 0.00 0.00 -2.53 0.04 -1.94 -2.80 116.94 111.45 2bfv h PHE 88 Ca -0.31 0.00 0.00 0.00 2.80 0.00 0.00 57.97 60.46 2bfv h PHE 88 Cb 1.23 0.00 0.00 0.00 2.20 0.00 0.00 35.95 39.38 2bfv h PHE 88 CO 0.00 0.00 0.00 -0.85 -0.60 0.00 0.00 178.31 176.86 2bfv n GLU 89 N -2.89 0.12 0.02 1.51 0.28 -1.26 -2.26 120.64 116.15 2bfv n GLU 89 Ca 0.01 0.27 0.13 0.00 -0.16 0.00 0.00 57.16 57.41 2bfv n GLU 89 Cb 0.32 -1.69 0.47 0.00 1.43 0.00 0.00 31.44 31.96 2bfv n GLU 89 CO 0.00 0.00 0.00 -0.25 -0.16 0.00 0.00 177.13 176.72 2bfv n ASP 90 N -1.90 0.28 -4.62 -1.84 8.00 -1.05 -4.78 116.55 110.63 2bfv n ASP 90 Ca 0.04 0.29 -0.43 0.00 0.71 0.00 0.00 54.79 55.40 2bfv n ASP 90 Cb 0.26 -0.29 -0.02 0.00 -0.02 0.00 0.00 41.12 41.05 2bfv n ASP 90 CO 0.00 0.00 0.00 -0.89 -0.39 0.00 0.00 177.20 175.92 2bfv s THR 91 N -3.02 3.78 -0.01 -3.53 2.01 -0.96 -4.81 115.64 109.10 2bfv s THR 91 Ca 0.12 0.86 -0.29 0.00 0.31 0.00 0.00 61.69 62.69 2bfv s THR 91 Cb 0.17 -3.86 0.10 0.00 0.01 0.00 0.00 72.50 68.93 2bfv s THR 91 CO 0.60 -0.41 1.28 0.00 -0.69 0.00 0.00 174.62 175.39 2bfv s ALA 92 N 5.30 -2.35 -0.25 7.40 0.00 -0.93 -4.47 121.76 126.46 2bfv s ALA 92 Ca 0.68 0.25 -0.08 0.00 0.00 0.00 0.00 51.96 52.81 2bfv s ALA 92 Cb -0.21 0.70 -0.03 0.00 0.00 0.00 0.00 23.12 23.57 2bfv s ALA 92 CO 0.29 -1.11 0.09 -1.17 0.00 0.00 0.00 175.76 173.86 2bfv s LEU 93 N -3.50 3.59 -0.16 0.00 2.96 -0.03 -0.56 118.68 120.98 2bfv s LEU 93 Ca 0.24 -0.14 -0.06 0.00 -0.22 0.00 0.00 54.13 53.95 2bfv s LEU 93 Cb 0.01 -1.97 -0.04 0.00 0.50 0.00 0.00 46.19 44.70 2bfv s LEU 93 CO -0.02 -0.02 0.04 -0.31 -1.32 0.00 0.00 176.35 174.73 2bfv s TYR 94 N 1.53 3.23 0.04 5.38 1.51 0.15 -0.67 117.35 128.52 2bfv s TYR 94 Ca 0.06 0.07 0.06 0.00 -1.01 0.00 0.00 57.07 56.26 2bfv s TYR 94 Cb -0.15 -2.00 -0.02 0.00 -0.11 0.00 0.00 41.96 39.68 2bfv s TYR 94 CO 0.05 0.23 -0.19 0.71 -1.11 0.00 0.00 175.55 175.24 2bfv s TYR 95 N 0.04 1.63 0.02 2.71 2.02 0.87 -0.58 117.35 124.06 2bfv s TYR 95 Ca 0.05 -0.36 -0.01 0.00 -0.37 0.00 0.00 57.07 56.37 2bfv s TYR 95 Cb -0.12 -0.97 -0.04 0.00 -0.40 0.00 0.00 41.96 40.42 2bfv s TYR 95 CO 0.01 0.07 0.16 0.00 -1.57 0.00 0.00 175.55 174.22 2bfv s ALA 97 N -1.35 -0.31 -0.11 0.00 0.00 -0.94 -0.46 121.76 118.60 2bfv s ALA 97 Ca 0.29 -0.24 -0.05 0.00 0.00 0.00 0.00 51.96 51.96 2bfv s ALA 97 Cb -0.13 0.19 -0.04 0.00 0.00 0.00 0.00 23.12 23.14 2bfv s ALA 97 CO 0.20 -0.28 0.09 0.50 0.00 0.00 0.00 175.76 176.27 2bfv s ARG 98 N -1.97 3.27 -0.39 0.00 3.52 0.15 -1.72 118.95 121.81 2bfv s ARG 98 Ca -0.10 -0.24 -0.20 0.00 -0.13 0.00 0.00 55.73 55.06 2bfv s ARG 98 Cb -0.04 -3.04 0.01 0.00 -1.56 0.00 0.00 34.95 30.32 2bfv s ARG 98 CO -0.01 0.75 0.63 -0.51 -0.81 0.00 0.00 175.30 175.35 2bfv s LEU 99 N -0.97 4.35 -0.17 -0.88 1.43 -1.03 -0.95 118.68 120.45 2bfv s LEU 99 Ca 0.14 -0.04 -0.15 0.00 -1.03 0.00 0.00 54.13 53.05 2bfv s LEU 99 Cb -0.12 -2.75 -0.04 0.00 0.03 0.00 0.00 46.19 43.31 2bfv s LEU 99 CO 0.03 -0.65 0.34 0.21 0.23 0.00 0.00 176.35 176.51 2bfv s ASN 100 N 1.87 6.45 0.10 2.29 3.84 0.20 -4.42 114.94 125.26 2bfv s ASN 100 Ca 0.23 0.52 -0.19 0.00 0.21 0.00 0.00 52.86 53.64 2bfv s ASN 100 Cb -0.14 -2.21 -0.07 0.00 -0.55 0.00 0.00 41.25 38.28 2bfv s ASN 100 CO 0.16 0.03 1.61 0.22 -2.79 0.00 0.00 177.10 176.34 2bfv h TYR 101 N 6.95 0.40 -0.75 0.43 3.20 -1.96 0.50 116.97 125.74 2bfv h TYR 101 Ca -0.39 -0.04 0.06 0.00 3.14 0.00 0.00 58.73 61.50 2bfv h TYR 101 Cb 1.17 -0.12 -0.06 0.00 1.54 0.00 0.00 36.73 39.26 2bfv h TYR 101 CO 0.63 0.45 0.44 0.00 -1.64 0.00 0.00 178.16 178.04 2bfv h ALA 102 N 0.91 1.03 -0.03 1.82 0.00 -1.94 -0.42 119.26 120.63 2bfv h ALA 102 Ca 0.08 0.01 -0.19 0.00 0.00 0.00 0.00 54.91 54.81 2bfv h ALA 102 Cb 0.23 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 17.85 2bfv h ALA 102 CO -0.00 0.13 -0.80 0.28 0.00 0.00 0.00 179.25 178.86 2bfv h VAL 103 N 0.79 1.43 -5.55 0.00 2.07 -1.96 -3.47 116.25 109.56 2bfv h VAL 103 Ca 0.34 -2.36 -0.29 0.00 0.82 0.00 0.00 66.70 65.21 2bfv h VAL 103 Cb 0.20 2.28 0.18 0.00 -1.52 0.00 0.00 31.29 32.44 2bfv h VAL 103 CO -0.19 0.70 -0.83 0.00 0.02 0.00 0.00 177.57 177.27 2bfv n TYR 104 N -3.76 -2.34 -3.50 1.57 9.36 0.17 -4.93 117.16 113.74 2bfv n TYR 104 Ca -0.04 0.88 0.00 0.00 3.32 0.00 0.00 57.90 62.06 2bfv n TYR 104 Cb 0.75 -4.50 0.00 0.00 -0.63 0.00 0.00 39.34 34.96 2bfv n TYR 104 CO 0.00 0.00 0.00 0.41 0.22 0.00 0.00 176.86 177.49 2bfv n GLY 105 N -1.20 -0.72 3.70 2.98 0.00 -1.03 -5.01 105.19 103.91 2bfv n GLY 105 Ca -0.16 -0.89 -0.42 0.00 0.00 0.00 0.00 46.02 44.55 2bfv n GLY 105 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 2bfv s MET 106 N -1.00 4.49 -0.12 1.61 -1.94 -1.25 0.59 119.30 121.68 2bfv s MET 106 Ca 0.00 1.36 0.02 0.00 -1.71 0.00 0.00 55.69 55.35 2bfv s MET 106 Cb 0.00 -3.49 -0.08 0.00 2.01 0.00 0.00 34.83 33.27 2bfv s MET 106 CO 0.00 -0.15 -0.09 -0.40 -0.01 0.00 0.00 175.02 174.37 2bfv n ASP 107 N 4.35 3.04 -4.05 3.03 5.75 -0.12 -4.89 116.55 123.65 2bfv n ASP 107 Ca 0.06 -0.06 -0.25 0.00 -0.01 0.00 0.00 54.79 54.54 2bfv n ASP 107 Cb 0.50 -0.10 -0.16 0.00 -1.03 0.00 0.00 41.12 40.32 2bfv n ASP 107 CO 0.00 0.00 0.00 -0.31 -0.11 0.00 0.00 177.20 176.78 2bfv s TYR 108 N -2.24 1.53 0.18 2.11 2.02 -1.25 -4.98 117.35 114.72 2bfv s TYR 108 Ca -0.15 -0.54 0.09 0.00 -0.37 0.00 0.00 57.07 56.10 2bfv s TYR 108 Cb 0.04 -1.09 -0.04 0.00 -0.40 0.00 0.00 41.96 40.47 2bfv s TYR 108 CO 0.28 -0.25 -0.07 -1.58 -1.57 0.00 0.00 175.55 172.36 2bfv s TRP 109 N 0.50 2.68 0.23 2.71 0.52 -1.26 0.33 118.94 124.65 2bfv s TRP 109 Ca -0.12 -0.20 -0.03 0.00 0.02 0.00 0.00 56.10 55.76 2bfv s TRP 109 Cb -0.15 -1.30 0.05 0.00 -1.15 0.00 0.00 33.47 30.92 2bfv s TRP 109 CO 0.04 0.52 0.31 0.41 0.02 0.00 0.00 176.95 178.25 2bfv n GLY 110 N -0.03 -0.73 0.16 0.98 0.00 0.39 -4.69 105.19 101.27 2bfv n GLY 110 Ca -0.10 -1.75 -0.13 0.00 0.00 0.00 0.00 46.02 44.03 2bfv n GLY 110 CO 0.00 0.00 0.00 1.46 0.00 0.00 0.00 173.32 174.78 2bfv h GLN 111 N 0.00 0.42 0.00 1.61 4.20 -1.90 -3.46 115.11 115.98 2bfv h GLN 111 Ca -0.10 -0.44 0.00 0.00 0.06 0.00 0.00 58.65 58.17 2bfv h GLN 111 Cb 0.30 0.12 0.00 0.00 0.30 0.00 0.00 27.48 28.20 2bfv h GLN 111 CO 0.08 1.10 0.00 0.41 -0.67 0.00 0.00 178.83 179.75 2bfv n GLY 112 N 0.90 2.53 2.90 3.46 0.00 -1.26 -5.02 105.19 108.70 2bfv n GLY 112 Ca -0.06 -2.01 -0.14 0.00 0.00 0.00 0.00 46.02 43.81 2bfv n GLY 112 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 2bfv s THR 113 N -2.60 -0.09 -0.17 2.61 -1.32 0.25 -4.71 115.64 109.62 2bfv s THR 113 Ca 0.00 0.22 -0.22 0.00 -1.21 0.00 0.00 61.69 60.47 2bfv s THR 113 Cb 0.00 -0.25 -0.02 0.00 -1.51 0.00 0.00 72.50 70.72 2bfv s THR 113 CO 0.00 0.09 0.69 -0.89 -2.21 0.00 0.00 174.62 172.30 2bfv s THR 114 N 1.41 4.99 -0.20 5.08 2.01 -1.26 0.34 115.64 128.00 2bfv s THR 114 Ca -0.07 1.34 -0.02 0.00 0.31 0.00 0.00 61.69 63.26 2bfv s THR 114 Cb -0.12 -4.01 0.00 0.00 0.01 0.00 0.00 72.50 68.39 2bfv s THR 114 CO -0.06 0.12 -0.10 -0.69 -0.69 0.00 0.00 174.62 173.19 2bfv s VAL 115 N 1.76 2.88 -0.41 3.82 1.01 0.28 -0.33 120.40 129.42 2bfv s VAL 115 Ca 0.33 -0.66 -0.03 0.00 0.00 0.00 0.00 61.98 61.61 2bfv s VAL 115 Cb -0.16 -2.28 0.11 0.00 0.00 0.00 0.00 36.38 34.04 2bfv s VAL 115 CO 0.12 0.47 0.20 -0.89 0.00 0.00 0.00 175.10 175.00 2bfv s THR 116 N 1.39 3.34 0.29 3.92 2.01 0.50 -2.18 115.64 124.91 2bfv s THR 116 Ca 0.05 -1.98 -0.29 0.00 0.31 0.00 0.00 61.69 59.78 2bfv s THR 116 Cb -0.14 -3.26 -0.10 0.00 0.01 0.00 0.00 72.50 69.02 2bfv s THR 116 CO -0.07 -0.65 1.22 -0.69 -0.69 0.00 0.00 174.62 173.74 2bfv s VAL 117 N 1.17 3.13 0.20 3.82 1.01 -1.26 -1.64 120.40 126.83 2bfv s VAL 117 Ca 0.07 1.10 0.00 0.00 0.00 0.00 0.00 61.98 63.16 2bfv s VAL 117 Cb -0.23 -3.70 -0.05 0.00 0.00 0.00 0.00 36.38 32.41 2bfv s VAL 117 CO -0.04 0.25 0.07 -0.55 0.00 0.00 0.00 175.10 174.83 2bfv s SER 118 N -0.51 0.81 0.00 3.32 0.15 0.18 -4.92 113.70 112.73 2bfv s SER 118 Ca 0.48 -1.29 0.00 0.00 0.70 0.00 0.00 55.95 55.85 2bfv s SER 118 Cb -0.36 0.22 0.00 0.00 -1.71 0.00 0.00 66.02 64.17 2bfv s SER 118 CO 0.45 -0.70 0.17 -0.24 1.20 0.00 0.00 173.24 174.12