#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3fji n PHE 1 N 0.00 0.72 -2.70 -1.40 7.35 -1.26 -5.04 117.46 115.13 3fji n PHE 1 Ca 0.00 -1.37 -0.43 0.00 -0.76 0.00 0.00 57.45 54.89 3fji n PHE 1 Cb 0.00 -0.21 -0.02 0.00 0.35 0.00 0.00 39.48 39.60 3fji n PHE 1 CO 0.00 0.00 0.00 -0.80 -0.76 0.00 0.00 176.76 175.20 3fji s ASN 2 N -2.95 7.04 0.18 -2.13 0.01 -1.26 -5.01 114.94 110.82 3fji s ASN 2 Ca 0.33 1.30 0.00 0.00 -0.71 0.00 0.00 52.86 53.78 3fji s ASN 2 Cb 0.36 -2.52 -0.04 0.00 0.41 0.00 0.00 41.25 39.46 3fji s ASN 2 CO -0.09 -0.66 0.35 -0.76 -1.51 0.00 0.00 177.10 174.44 3fji s LEU 3 N 3.16 4.26 0.11 0.60 1.43 -1.26 -0.60 118.68 126.39 3fji s LEU 3 Ca 0.42 0.34 -0.17 0.00 -1.03 0.00 0.00 54.13 53.69 3fji s LEU 3 Cb -0.15 -3.10 -0.07 0.00 0.03 0.00 0.00 46.19 42.91 3fji s LEU 3 CO 0.07 -0.01 0.57 -2.16 0.23 0.00 0.00 176.35 175.05 3fji s PRO 4 N -3.24 4.10 -0.20 1.29 0.04 -1.26 -4.59 135.00 131.14 3fji s PRO 4 Ca 0.37 0.63 -0.29 0.00 0.04 0.00 0.00 61.00 61.75 3fji s PRO 4 Cb -0.11 -3.08 -0.02 0.00 0.04 0.00 0.00 34.50 31.34 3fji s PRO 4 CO 0.29 0.55 1.37 -1.25 0.04 0.00 0.00 177.00 178.00 3fji s PRO 5 N -1.54 4.07 0.00 0.56 0.04 -1.26 -4.93 135.00 131.94 3fji s PRO 5 Ca 0.34 1.60 0.00 0.00 0.04 0.00 0.00 61.00 62.98 3fji s PRO 5 Cb -0.17 -3.86 0.00 0.00 0.04 0.00 0.00 34.50 30.51 3fji s PRO 5 CO 0.19 -0.93 0.00 0.41 0.04 0.00 0.00 177.00 176.71 3fji n GLY 6 N 4.02 2.63 3.98 0.56 0.00 -1.26 -5.12 105.19 110.00 3fji n GLY 6 Ca 0.15 0.01 -0.21 0.00 0.00 0.00 0.00 46.02 45.98 3fji n GLY 6 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3fji s ASN 7 N 0.00 5.37 -0.55 1.61 2.20 -1.26 -5.02 114.94 117.28 3fji s ASN 7 Ca 0.00 -0.06 0.03 0.00 -0.94 0.00 0.00 52.86 51.89 3fji s ASN 7 Cb 0.00 -0.88 0.40 0.00 -2.00 0.00 0.00 41.25 38.77 3fji s ASN 7 CO 0.00 -1.06 1.39 -1.22 -2.94 0.00 0.00 177.10 173.28 3fji n TYR 8 N -2.25 3.26 -0.08 1.54 4.01 -1.26 -4.75 117.16 117.63 3fji n TYR 8 Ca 0.08 -2.85 -0.10 0.00 -0.16 0.00 0.00 57.90 54.87 3fji n TYR 8 Cb 0.59 -0.43 -0.05 0.00 -0.31 0.00 0.00 39.34 39.14 3fji n TYR 8 CO 0.00 0.00 0.00 0.87 -0.46 0.00 0.00 176.86 177.27 3fji h LYS 9 N 2.67 0.00 -6.20 -0.72 1.57 -1.96 -3.45 116.57 108.48 3fji h LYS 9 Ca 0.39 0.00 -0.56 0.00 -1.87 0.00 0.00 60.65 58.61 3fji h LYS 9 Cb 0.69 0.00 -0.07 0.00 0.08 0.00 0.00 32.23 32.94 3fji h LYS 9 CO 1.03 0.36 -0.56 0.15 -0.57 0.00 0.00 179.45 179.86 3fji s LYS 10 N -2.19 2.88 1.06 3.15 1.02 -1.26 -5.06 119.74 119.34 3fji s LYS 10 Ca -0.17 -0.92 -0.13 0.00 0.02 0.00 0.00 55.97 54.76 3fji s LYS 10 Cb 0.03 -2.61 0.22 0.00 -0.52 0.00 0.00 37.83 34.94 3fji s LYS 10 CO 0.33 0.47 1.08 -1.25 -0.92 0.00 0.00 175.35 175.06 3fji s PRO 11 N -3.25 -0.06 0.33 -1.68 0.04 -1.26 -4.76 135.00 124.36 3fji s PRO 11 Ca 0.31 0.46 -0.06 0.00 0.04 0.00 0.00 61.00 61.75 3fji s PRO 11 Cb -0.10 -1.69 0.01 0.00 0.04 0.00 0.00 34.50 32.77 3fji s PRO 11 CO 0.23 -3.05 0.51 0.14 0.04 0.00 0.00 177.00 174.88 3fji s VAL 12 N -2.90 0.00 -0.15 -0.36 -7.23 0.88 -3.74 120.40 106.90 3fji s VAL 12 Ca 0.66 -1.49 -0.03 0.00 -1.81 0.00 0.00 61.98 59.31 3fji s VAL 12 Cb -0.19 -2.59 -0.02 0.00 0.56 0.00 0.00 36.38 34.14 3fji s VAL 12 CO 0.58 0.00 -0.06 -0.76 -0.31 0.00 0.00 175.10 174.56 3fji s LEU 13 N -3.18 3.13 -0.81 1.32 1.43 0.48 -1.32 118.68 119.74 3fji s LEU 13 Ca 0.27 -0.18 -0.15 0.00 -1.03 0.00 0.00 54.13 53.05 3fji s LEU 13 Cb -0.01 -1.75 0.20 0.00 0.03 0.00 0.00 46.19 44.66 3fji s LEU 13 CO 0.17 0.16 0.79 -0.76 0.23 0.00 0.00 176.35 176.94 3fji s LEU 14 N 0.40 6.47 0.05 1.79 1.43 -1.26 -0.02 118.68 127.54 3fji s LEU 14 Ca -0.05 -2.51 -0.30 0.00 -1.03 0.00 0.00 54.13 50.24 3fji s LEU 14 Cb -0.15 -2.24 -0.04 0.00 0.03 0.00 0.00 46.19 43.79 3fji s LEU 14 CO 0.03 -0.67 1.00 -0.47 0.23 0.00 0.00 176.35 176.47 3fji s TYR 15 N 0.66 3.69 -0.22 0.29 5.04 -0.56 -1.13 117.35 125.12 3fji s TYR 15 Ca 0.18 1.70 -0.08 0.00 -2.44 0.00 0.00 57.07 56.44 3fji s TYR 15 Cb -0.11 -3.13 -0.03 0.00 0.35 0.00 0.00 41.96 39.03 3fji s TYR 15 CO -0.08 -0.07 0.07 0.00 -1.34 0.00 0.00 175.55 174.14 3fji n SER 17 N 4.40 0.00 0.00 0.00 2.88 -0.33 -0.45 113.62 120.12 3fji n SER 17 Ca -0.16 0.98 0.00 0.00 -1.33 0.00 0.00 58.87 58.36 3fji n SER 17 Cb 0.52 -0.48 0.00 0.00 -0.75 0.00 0.00 64.21 63.50 3fji n SER 17 CO 0.00 0.00 0.00 -0.46 -1.23 0.00 0.00 175.04 173.35 3fji n ASN 18 N -2.89 0.00 0.24 -3.46 6.94 -1.26 -3.03 115.26 111.81 3fji n ASN 18 Ca 0.00 0.95 0.09 0.00 -0.02 0.00 0.00 54.58 55.60 3fji n ASN 18 Cb 0.00 -0.45 0.61 0.00 -2.36 0.00 0.00 39.78 37.58 3fji n ASN 18 CO 0.00 0.00 0.00 1.23 -1.03 0.00 0.00 177.26 177.46 3fji h GLY 19 N 0.00 0.00 -0.30 4.83 0.00 -1.71 -3.46 103.07 102.43 3fji h GLY 19 Ca 0.00 0.00 -0.05 0.00 0.00 0.00 0.00 47.33 47.28 3fji h GLY 19 CO 0.00 0.00 -0.06 0.61 0.00 0.00 0.00 176.54 177.09 3fji n GLY 20 N -0.91 0.36 3.96 4.60 0.00 0.40 -4.94 105.19 108.66 3fji n GLY 20 Ca -0.02 -0.83 -0.21 0.00 0.00 0.00 0.00 46.02 44.95 3fji n GLY 20 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 3fji s HIS 21 N -2.12 3.40 -0.15 1.61 3.76 -1.19 -4.64 115.29 115.96 3fji s HIS 21 Ca 0.00 -0.04 -0.06 0.00 -0.15 0.00 0.00 55.06 54.81 3fji s HIS 21 Cb 0.00 -1.58 -0.04 0.00 1.11 0.00 0.00 32.58 32.07 3fji s HIS 21 CO 0.00 0.42 0.07 -0.06 -0.85 0.00 0.00 174.74 174.32 3fji s PHE 22 N -2.00 3.32 0.22 1.40 0.08 -0.12 0.37 117.98 121.24 3fji s PHE 22 Ca 0.35 0.21 -0.32 0.00 0.12 0.00 0.00 56.93 57.29 3fji s PHE 22 Cb -0.09 -1.99 -0.12 0.00 -0.57 0.00 0.00 43.02 40.24 3fji s PHE 22 CO 0.29 0.36 1.69 -0.11 -0.10 0.00 0.00 175.22 177.34 3fji n LEU 23 N 2.91 3.94 -4.02 -0.37 7.94 -0.28 -2.66 117.00 124.46 3fji n LEU 23 Ca -0.18 1.08 -0.22 0.00 -1.11 0.00 0.00 56.01 55.58 3fji n LEU 23 Cb 0.53 -1.56 -0.16 0.00 0.53 0.00 0.00 43.42 42.76 3fji n LEU 23 CO 0.33 0.12 -0.45 -0.60 -1.11 0.00 0.00 177.39 175.68 3fji s ARG 24 N 0.90 1.19 -0.51 1.96 3.52 -0.20 -4.45 118.95 121.36 3fji s ARG 24 Ca 0.74 -0.36 -0.04 0.00 -0.13 0.00 0.00 55.73 55.94 3fji s ARG 24 Cb -0.52 -1.08 0.13 0.00 -1.56 0.00 0.00 34.95 31.92 3fji s ARG 24 CO 0.35 0.12 0.33 0.42 -0.81 0.00 0.00 175.30 175.71 3fji s ILE 25 N 0.25 3.61 0.65 4.11 1.01 -0.80 -1.47 121.20 128.57 3fji s ILE 25 Ca -0.05 -2.40 -0.16 0.00 0.00 0.00 0.00 60.65 58.03 3fji s ILE 25 Cb -0.10 -3.41 -0.00 0.00 0.01 0.00 0.00 42.46 38.96 3fji s ILE 25 CO 0.01 -0.78 1.16 -0.76 0.00 0.00 0.00 174.94 174.57 3fji s LEU 26 N 0.66 3.47 0.60 2.97 1.43 -0.26 -4.87 118.68 122.68 3fji s LEU 26 Ca 0.12 2.22 0.40 0.00 -1.03 0.00 0.00 54.13 55.83 3fji s LEU 26 Cb -0.22 -4.58 2.15 0.00 0.03 0.00 0.00 46.19 43.58 3fji s LEU 26 CO -0.04 -1.78 2.23 -0.65 0.23 0.00 0.00 176.35 176.35 3fji h PRO 27 N 0.24 0.00 -0.27 1.29 0.11 -1.98 -1.98 132.00 129.40 3fji h PRO 27 Ca -0.48 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.63 3fji h PRO 27 Cb 1.27 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.38 3fji h PRO 27 CO 0.53 0.00 0.00 -0.40 -0.21 0.00 0.00 178.00 177.92 3fji n ASP 28 N -2.94 1.35 0.00 -2.05 5.75 -1.26 -4.86 116.55 112.54 3fji n ASP 28 Ca -0.02 -2.02 0.00 0.00 -0.01 0.00 0.00 54.79 52.74 3fji n ASP 28 Cb 0.08 -0.18 0.00 0.00 -1.03 0.00 0.00 41.12 39.99 3fji n ASP 28 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 3fji n GLY 29 N 0.84 0.84 3.89 6.12 0.00 -0.75 -5.00 105.19 111.14 3fji n GLY 29 Ca 0.08 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.82 3fji n GLY 29 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3fji s THR 30 N -3.27 4.85 -0.02 2.61 2.01 -1.25 -1.79 115.64 118.80 3fji s THR 30 Ca 0.00 0.39 -0.00 0.00 0.31 0.00 0.00 61.69 62.39 3fji s THR 30 Cb 0.00 -3.85 0.02 0.00 0.01 0.00 0.00 72.50 68.68 3fji s THR 30 CO 0.00 -0.87 0.03 -0.69 -0.69 0.00 0.00 174.62 172.41 3fji s VAL 31 N -2.78 -0.04 0.00 3.82 1.01 -1.26 -1.10 120.40 120.05 3fji s VAL 31 Ca 0.49 0.15 0.00 0.00 0.00 0.00 0.00 61.98 62.62 3fji s VAL 31 Cb -0.10 -0.07 0.00 0.00 0.00 0.00 0.00 36.38 36.20 3fji s VAL 31 CO 0.45 0.06 0.00 -0.90 0.00 0.00 0.00 175.10 174.71 3fji n ASP 32 N 3.83 0.00 -3.96 3.32 5.75 -0.54 -4.58 116.55 120.36 3fji n ASP 32 Ca -0.23 0.00 -0.10 0.00 -0.01 0.00 0.00 54.79 54.45 3fji n ASP 32 Cb 0.53 0.00 -0.12 0.00 -1.03 0.00 0.00 41.12 40.51 3fji n ASP 32 CO 0.00 0.00 0.00 -0.83 -0.11 0.00 0.00 177.20 176.26 3fji s GLY 33 N 0.00 0.20 -0.02 6.12 0.00 -0.15 -1.04 107.32 112.43 3fji s GLY 33 Ca 0.00 -0.46 -0.07 0.00 0.00 0.00 0.00 44.72 44.19 3fji s GLY 33 CO 0.00 -0.51 0.15 -1.08 0.00 0.00 0.00 173.10 171.66 3fji s THR 34 N -1.10 0.05 -2.14 0.90 -1.32 -1.09 -4.81 115.64 106.14 3fji s THR 34 Ca -0.12 -0.43 0.27 0.00 -1.21 0.00 0.00 61.69 60.20 3fji s THR 34 Cb -0.08 -0.36 0.37 0.00 -1.51 0.00 0.00 72.50 70.92 3fji s THR 34 CO -0.01 -0.24 1.60 0.54 -2.21 0.00 0.00 174.62 174.30 3fji n ARG 35 N 2.03 1.28 -2.62 7.08 1.74 -1.26 -0.95 116.66 123.96 3fji n ARG 35 Ca -0.19 -0.79 -0.42 0.00 -0.77 0.00 0.00 57.85 55.68 3fji n ARG 35 Cb 0.57 -1.48 -0.03 0.00 -1.02 0.00 0.00 32.46 30.49 3fji n ARG 35 CO 0.00 0.00 0.00 0.34 -1.52 0.00 0.00 177.63 176.45 3fji s ASP 36 N -2.27 6.20 0.00 0.55 2.15 -1.26 -4.84 116.67 117.20 3fji s ASP 36 Ca 0.30 -0.48 0.10 0.00 0.43 0.00 0.00 52.55 52.90 3fji s ASP 36 Cb 0.20 -2.53 0.59 0.00 -0.30 0.00 0.00 42.92 40.89 3fji s ASP 36 CO 0.43 -1.70 1.02 -1.14 -0.17 0.00 0.00 175.17 173.61 3fji n ARG 37 N 8.89 0.40 -0.00 4.34 0.63 -1.26 -2.04 116.66 127.61 3fji n ARG 37 Ca 0.02 0.00 -0.11 0.00 -0.92 0.00 0.00 57.85 56.84 3fji n ARG 37 Cb 0.48 -1.39 -0.14 0.00 0.45 0.00 0.00 32.46 31.86 3fji n ARG 37 CO 0.00 0.00 0.00 1.03 -2.51 0.00 0.00 177.63 176.15 3fji h SER 38 N 0.00 0.10 -1.40 6.15 0.87 -1.98 -3.48 113.55 113.81 3fji h SER 38 Ca 0.00 -0.20 -0.67 0.00 -1.23 0.00 0.00 61.79 59.70 3fji h SER 38 Cb 0.00 -0.03 0.10 0.00 -0.44 0.00 0.00 62.40 62.03 3fji h SER 38 CO 0.00 1.17 -0.25 -0.67 -0.53 0.00 0.00 176.83 176.56 3fji n ASP 39 N -3.17 -0.32 -0.55 6.23 -0.08 -0.87 -4.89 116.55 112.90 3fji n ASP 39 Ca -0.18 1.14 0.11 0.00 -1.51 0.00 0.00 54.79 54.36 3fji n ASP 39 Cb 1.04 -1.04 0.40 0.00 2.34 0.00 0.00 41.12 43.86 3fji n ASP 39 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 3fji n GLN 40 N 1.08 1.74 -0.49 -0.67 1.13 -1.26 -4.08 117.38 114.82 3fji n GLN 40 Ca 0.16 -1.10 0.05 0.00 -1.94 0.00 0.00 57.00 54.17 3fji n GLN 40 Cb 0.24 -1.41 0.21 0.00 0.11 0.00 0.00 30.24 29.39 3fji n GLN 40 CO 0.00 0.00 0.00 0.72 -1.44 0.00 0.00 177.06 176.34 3fji n HIS 41 N 0.32 0.64 0.28 1.08 8.25 -1.26 -4.49 115.22 120.04 3fji n HIS 41 Ca 0.17 -1.22 0.03 0.00 -0.26 0.00 0.00 57.72 56.44 3fji n HIS 41 Cb 0.34 -0.32 0.02 0.00 1.12 0.00 0.00 29.99 31.15 3fji n HIS 41 CO 0.00 0.00 0.00 0.44 0.64 0.00 0.00 176.34 177.42 3fji n ILE 42 N -1.01 0.00 -2.86 1.59 -5.35 -1.26 -1.90 119.36 108.57 3fji n ILE 42 Ca 0.24 -0.49 -0.43 0.00 -0.27 0.00 0.00 62.75 61.80 3fji n ILE 42 Cb 0.85 1.12 -0.04 0.00 -1.74 0.00 0.00 39.64 39.83 3fji n ILE 42 CO 0.00 0.00 0.00 -1.10 -1.76 0.00 0.00 176.55 173.69 3fji s GLN 43 N -0.66 3.26 -0.06 6.28 1.11 -1.26 -4.46 119.66 123.87 3fji s GLN 43 Ca 0.07 -0.44 0.01 0.00 0.01 0.00 0.00 55.36 55.01 3fji s GLN 43 Cb 0.05 -4.10 -0.03 0.00 -1.01 0.00 0.00 33.01 27.92 3fji s GLN 43 CO 0.10 -1.56 -0.07 -0.51 0.01 0.00 0.00 175.29 173.26 3fji s LEU 44 N 3.92 3.16 -0.24 2.90 1.43 -0.43 -1.44 118.68 127.98 3fji s LEU 44 Ca 0.27 -0.04 -0.06 0.00 -1.03 0.00 0.00 54.13 53.27 3fji s LEU 44 Cb -0.14 -1.71 -0.02 0.00 0.03 0.00 0.00 46.19 44.35 3fji s LEU 44 CO 0.16 0.35 0.04 -1.58 0.23 0.00 0.00 176.35 175.56 3fji s GLN 45 N -0.90 3.60 0.19 1.70 2.00 0.30 -0.08 119.66 126.47 3fji s GLN 45 Ca 0.13 -0.51 0.03 0.00 -2.00 0.00 0.00 55.36 53.01 3fji s GLN 45 Cb -0.11 -3.25 -0.03 0.00 0.80 0.00 0.00 33.01 30.42 3fji s GLN 45 CO 0.02 -0.17 0.33 -0.51 -0.50 0.00 0.00 175.29 174.46 3fji s LEU 46 N 1.53 4.31 -0.04 3.68 1.02 -1.26 -1.44 118.68 126.48 3fji s LEU 46 Ca 0.06 0.18 -0.23 0.00 0.02 0.00 0.00 54.13 54.17 3fji s LEU 46 Cb -0.15 -2.94 0.05 0.00 0.02 0.00 0.00 46.19 43.16 3fji s LEU 46 CO 0.02 -0.00 0.49 -0.94 0.02 0.00 0.00 176.35 175.94 3fji s SER 47 N -3.45 -0.43 -0.15 2.29 1.04 -1.00 -4.75 113.70 107.25 3fji s SER 47 Ca 0.35 0.42 -0.13 0.00 0.48 0.00 0.00 55.95 57.07 3fji s SER 47 Cb -0.10 0.45 -0.05 0.00 0.10 0.00 0.00 66.02 66.42 3fji s SER 47 CO 0.29 -0.51 0.28 0.00 0.98 0.00 0.00 173.24 174.28 3fji s ALA 48 N -1.20 3.63 0.00 5.32 0.00 -1.26 -0.15 121.76 128.10 3fji s ALA 48 Ca -0.12 -0.47 0.00 0.00 0.00 0.00 0.00 51.96 51.38 3fji s ALA 48 Cb -0.03 -2.35 0.00 0.00 0.00 0.00 0.00 23.12 20.75 3fji s ALA 48 CO 0.07 0.16 0.00 -1.91 0.00 0.00 0.00 175.76 174.08 3fji n GLU 49 N 3.34 0.00 -4.37 0.00 4.07 -0.83 -4.95 120.64 117.89 3fji n GLU 49 Ca -0.13 0.21 -0.24 0.00 -0.06 0.00 0.00 57.16 56.94 3fji n GLU 49 Cb 0.52 -0.65 -0.09 0.00 -0.06 0.00 0.00 31.44 31.16 3fji n GLU 49 CO 0.00 0.00 0.00 -1.12 -0.06 0.00 0.00 177.13 175.95 3fji s SER 50 N -2.36 4.05 -0.16 4.31 0.01 -1.26 -4.98 113.70 113.31 3fji s SER 50 Ca 0.00 -0.80 -0.41 0.00 1.31 0.00 0.00 55.95 56.05 3fji s SER 50 Cb 0.00 -0.57 -0.18 0.00 0.21 0.00 0.00 66.02 65.48 3fji s SER 50 CO 0.00 0.04 1.44 0.52 0.41 0.00 0.00 173.24 175.64 3fji n VAL 51 N -0.59 0.08 0.00 3.43 0.31 -1.26 0.25 118.33 120.55 3fji n VAL 51 Ca -0.07 -0.01 0.00 0.00 -0.01 0.00 0.00 64.34 64.25 3fji n VAL 51 Cb 0.59 -0.65 0.00 0.00 -0.91 0.00 0.00 33.84 32.87 3fji n VAL 51 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 3fji n GLY 52 N 3.03 3.21 3.91 2.92 0.00 -1.26 -5.03 105.19 111.96 3fji n GLY 52 Ca 0.24 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.94 3fji n GLY 52 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3fji s GLU 53 N -0.50 3.41 0.15 1.61 2.02 0.14 -0.24 118.70 125.29 3fji s GLU 53 Ca 0.00 -0.43 -0.10 0.00 0.02 0.00 0.00 54.97 54.46 3fji s GLU 53 Cb 0.00 -3.03 0.00 0.00 0.10 0.00 0.00 34.13 31.20 3fji s GLU 53 CO 0.00 0.62 0.30 0.14 0.02 0.00 0.00 175.26 176.34 3fji s VAL 54 N -1.46 0.08 -0.17 2.63 -7.23 0.64 -1.96 120.40 112.91 3fji s VAL 54 Ca 0.33 -1.21 0.00 0.00 -1.81 0.00 0.00 61.98 59.29 3fji s VAL 54 Cb -0.13 -1.66 0.01 0.00 0.56 0.00 0.00 36.38 35.17 3fji s VAL 54 CO 0.26 -0.35 -0.17 -0.31 -0.31 0.00 0.00 175.10 174.21 3fji s TYR 55 N -3.92 2.79 -0.24 2.82 2.02 0.79 -1.73 117.35 119.87 3fji s TYR 55 Ca 0.13 -1.40 -0.10 0.00 -0.37 0.00 0.00 57.07 55.33 3fji s TYR 55 Cb 0.03 -1.92 -0.05 0.00 -0.40 0.00 0.00 41.96 39.62 3fji s TYR 55 CO -0.03 -0.68 0.14 0.42 -1.57 0.00 0.00 175.55 173.82 3fji s ILE 56 N 1.16 5.12 -0.02 2.71 1.09 -1.26 -2.38 121.20 127.61 3fji s ILE 56 Ca 0.01 0.10 0.02 0.00 -1.10 0.00 0.00 60.65 59.68 3fji s ILE 56 Cb -0.14 -3.39 0.00 0.00 -1.06 0.00 0.00 42.46 37.87 3fji s ILE 56 CO -0.08 0.33 -0.09 -0.75 -0.10 0.00 0.00 174.94 174.26 3fji s LYS 57 N 1.24 0.92 -0.05 2.79 2.20 -0.52 0.46 119.74 126.78 3fji s LYS 57 Ca 0.07 -0.29 -0.30 0.00 -0.36 0.00 0.00 55.97 55.08 3fji s LYS 57 Cb -0.14 -0.87 -0.04 0.00 -1.51 0.00 0.00 37.83 35.27 3fji s LYS 57 CO 0.06 0.11 1.38 0.45 -0.36 0.00 0.00 175.35 176.99 3fji s SER 58 N 0.18 6.87 0.32 1.43 0.15 -0.21 0.11 113.70 122.55 3fji s SER 58 Ca -0.03 2.00 0.14 0.00 0.70 0.00 0.00 55.95 58.76 3fji s SER 58 Cb -0.08 -2.55 0.50 0.00 -1.71 0.00 0.00 66.02 62.18 3fji s SER 58 CO 0.00 -0.74 1.67 0.71 1.20 0.00 0.00 173.24 176.08 3fji h THR 59 N 5.15 1.17 -0.19 6.45 1.35 -1.58 0.19 112.91 125.45 3fji h THR 59 Ca -0.35 -1.84 -0.21 0.00 -0.55 0.00 0.00 66.41 63.46 3fji h THR 59 Cb 1.16 2.05 0.01 0.00 -1.73 0.00 0.00 68.15 69.63 3fji h THR 59 CO 0.92 0.49 -0.71 -0.08 -0.25 0.00 0.00 175.52 175.89 3fji h GLU 60 N 0.00 0.82 0.00 4.72 4.57 -1.81 -3.37 114.58 119.51 3fji h GLU 60 Ca -0.01 -0.63 0.00 0.00 -1.18 0.00 0.00 59.36 57.55 3fji h GLU 60 Cb 1.01 0.12 0.00 0.00 -0.16 0.00 0.00 28.75 29.71 3fji h GLU 60 CO 0.07 1.24 -0.57 0.25 -1.18 0.00 0.00 179.01 178.81 3fji n THR 61 N -3.97 0.00 -0.92 0.32 -2.24 -1.23 -4.99 114.28 101.25 3fji n THR 61 Ca -0.07 -0.30 0.00 0.00 -2.27 0.00 0.00 64.05 61.42 3fji n THR 61 Cb 0.71 0.83 0.00 0.00 -2.10 0.00 0.00 70.33 69.77 3fji n THR 61 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3fji n GLY 62 N 1.41 0.56 3.78 3.38 0.00 0.67 -5.00 105.19 110.00 3fji n GLY 62 Ca 0.01 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.71 3fji n GLY 62 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 3fji s GLN 63 N -0.40 2.61 -0.01 1.61 -0.21 -1.25 -4.76 119.66 117.26 3fji s GLN 63 Ca 0.00 1.15 0.02 0.00 0.02 0.00 0.00 55.36 56.56 3fji s GLN 63 Cb 0.00 -1.94 -0.03 0.00 1.00 0.00 0.00 33.01 32.03 3fji s GLN 63 CO 0.00 -1.37 -0.05 0.71 -2.12 0.00 0.00 175.29 172.47 3fji s TYR 64 N -2.81 2.95 0.41 0.91 1.51 -0.45 -1.04 117.35 118.83 3fji s TYR 64 Ca 0.62 0.00 -0.24 0.00 -1.01 0.00 0.00 57.07 56.44 3fji s TYR 64 Cb -0.17 -1.64 -0.09 0.00 -0.11 0.00 0.00 41.96 39.96 3fji s TYR 64 CO 0.52 0.40 1.05 -1.17 -1.11 0.00 0.00 175.55 175.24 3fji s LEU 65 N -1.40 4.12 0.11 -1.29 2.96 0.17 0.15 118.68 123.50 3fji s LEU 65 Ca 0.17 2.05 -0.24 0.00 -0.22 0.00 0.00 54.13 55.89 3fji s LEU 65 Cb -0.11 -4.21 0.06 0.00 0.50 0.00 0.00 46.19 42.44 3fji s LEU 65 CO 0.08 -0.53 0.59 0.00 -1.32 0.00 0.00 176.35 175.17 3fji s ALA 66 N -1.67 -1.54 -0.14 5.97 0.00 0.08 -4.35 121.76 120.12 3fji s ALA 66 Ca 0.58 0.59 0.00 0.00 0.00 0.00 0.00 51.96 53.14 3fji s ALA 66 Cb -0.22 0.67 0.02 0.00 0.00 0.00 0.00 23.12 23.59 3fji s ALA 66 CO 0.28 -0.66 -0.11 1.41 0.00 0.00 0.00 175.76 176.67 3fji s MET 67 N -3.18 1.95 0.39 0.00 1.75 -0.51 -0.50 119.30 119.20 3fji s MET 67 Ca -0.02 -0.44 -0.07 0.00 -1.25 0.00 0.00 55.69 53.92 3fji s MET 67 Cb -0.01 -1.90 0.10 0.00 2.84 0.00 0.00 34.83 35.86 3fji s MET 67 CO -0.08 -0.26 0.39 -0.40 -0.65 0.00 0.00 175.02 174.02 3fji n ASP 68 N 4.84 -1.01 0.00 1.11 5.68 -0.69 -4.74 116.55 121.73 3fji n ASP 68 Ca -0.15 -0.83 0.06 0.00 -0.50 0.00 0.00 54.79 53.37 3fji n ASP 68 Cb 0.50 -0.34 0.35 0.00 -1.14 0.00 0.00 41.12 40.49 3fji n ASP 68 CO 0.00 0.00 0.00 0.35 -1.33 0.00 0.00 177.20 176.22 3fji n THR 69 N -3.12 0.00 0.56 2.12 -2.24 -1.26 -2.41 114.28 107.93 3fji n THR 69 Ca 0.05 0.00 0.06 0.00 -2.27 0.00 0.00 64.05 61.90 3fji n THR 69 Cb 0.20 -0.31 0.03 0.00 -2.10 0.00 0.00 70.33 68.14 3fji n THR 69 CO 0.00 0.00 0.00 0.47 -0.57 0.00 0.00 175.07 174.97 3fji n ASP 70 N -0.72 1.80 0.00 3.42 8.00 -1.26 -4.97 116.55 122.81 3fji n ASP 70 Ca 0.09 -1.40 0.00 0.00 0.71 0.00 0.00 54.79 54.19 3fji n ASP 70 Cb 0.04 0.20 0.00 0.00 -0.02 0.00 0.00 41.12 41.34 3fji n ASP 70 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 3fji n GLY 71 N 0.86 0.71 3.86 0.44 0.00 -1.01 -4.61 105.19 105.44 3fji n GLY 71 Ca 0.07 -0.01 -0.37 0.00 0.00 0.00 0.00 46.02 45.71 3fji n GLY 71 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3fji s LEU 72 N 0.00 4.32 0.52 0.99 1.43 -1.26 0.78 118.68 125.46 3fji s LEU 72 Ca 0.00 0.43 -0.11 0.00 -1.03 0.00 0.00 54.13 53.42 3fji s LEU 72 Cb 0.00 -2.05 -0.05 0.00 0.03 0.00 0.00 46.19 44.11 3fji s LEU 72 CO 0.00 0.39 0.91 -0.76 0.23 0.00 0.00 176.35 177.12 3fji s LEU 73 N -0.93 3.53 -0.03 1.79 1.43 -1.26 -1.71 118.68 121.51 3fji s LEU 73 Ca 0.14 1.28 -0.30 0.00 -1.03 0.00 0.00 54.13 54.23 3fji s LEU 73 Cb -0.12 -4.25 0.11 0.00 0.03 0.00 0.00 46.19 41.96 3fji s LEU 73 CO 0.04 -0.64 1.06 -0.72 0.23 0.00 0.00 176.35 176.31 3fji s TYR 74 N -2.79 -0.19 -0.49 0.29 1.13 0.35 -4.50 117.35 111.15 3fji s TYR 74 Ca 0.53 0.05 -0.18 0.00 -1.41 0.00 0.00 57.07 56.06 3fji s TYR 74 Cb -0.10 0.55 0.06 0.00 -1.10 0.00 0.00 41.96 41.37 3fji s TYR 74 CO 0.42 -0.46 0.54 0.20 -2.51 0.00 0.00 175.55 173.74 3fji s GLY 75 N -2.57 1.86 0.46 5.49 0.00 -0.74 -0.74 107.32 111.08 3fji s GLY 75 Ca 0.09 -1.81 -0.20 0.00 0.00 0.00 0.00 44.72 42.81 3fji s GLY 75 CO -0.05 1.32 0.96 -0.45 0.00 0.00 0.00 173.10 174.88 3fji s SER 76 N 2.54 6.84 -0.13 1.64 0.15 0.12 -4.57 113.70 120.30 3fji s SER 76 Ca 0.12 1.65 -0.22 0.00 0.70 0.00 0.00 55.95 58.20 3fji s SER 76 Cb -0.20 -2.53 -0.26 0.00 -1.71 0.00 0.00 66.02 61.32 3fji s SER 76 CO 0.11 -0.43 0.61 1.56 1.20 0.00 0.00 173.24 176.29 3fji h GLN 77 N 1.60 0.13 -6.38 5.44 1.08 -1.94 -1.18 115.11 113.86 3fji h GLN 77 Ca -0.48 -0.22 -0.61 0.00 -1.45 0.00 0.00 58.65 55.89 3fji h GLN 77 Cb 1.18 0.08 -0.13 0.00 -0.05 0.00 0.00 27.48 28.57 3fji h GLN 77 CO 0.61 1.11 -0.70 0.95 -0.95 0.00 0.00 178.83 179.85 3fji s THR 78 N -2.37 3.27 -0.19 -0.54 -4.23 -1.26 -4.85 115.64 105.48 3fji s THR 78 Ca -0.20 -1.71 -0.29 0.00 -1.18 0.00 0.00 61.69 58.30 3fji s THR 78 Cb 0.02 -2.65 -0.02 0.00 1.34 0.00 0.00 72.50 71.18 3fji s THR 78 CO 0.72 -0.17 1.41 -2.16 -0.54 0.00 0.00 174.62 173.88 3fji s PRO 79 N -3.03 4.06 0.00 3.99 0.04 -1.26 -4.97 135.00 133.83 3fji s PRO 79 Ca 0.27 1.66 0.00 0.00 0.04 0.00 0.00 61.00 62.97 3fji s PRO 79 Cb -0.08 -3.89 0.00 0.00 0.04 0.00 0.00 34.50 30.57 3fji s PRO 79 CO 0.16 -0.95 0.00 0.27 0.04 0.00 0.00 177.00 176.53 3fji n ASN 80 N 7.31 0.86 0.20 6.66 0.23 -1.26 -5.05 115.26 124.21 3fji n ASN 80 Ca 0.16 -0.28 0.08 0.00 -0.53 0.00 0.00 54.58 54.01 3fji n ASN 80 Cb 0.45 0.00 0.29 0.00 -2.08 0.00 0.00 39.78 38.44 3fji n ASN 80 CO 0.00 0.00 0.00 1.05 -0.93 0.00 0.00 177.26 177.38 3fji h GLU 81 N 0.00 0.00 -0.08 -3.83 4.11 -2.01 -3.25 114.58 109.53 3fji h GLU 81 Ca 0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.43 3fji h GLU 81 Cb 0.00 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.25 3fji h GLU 81 CO 0.00 0.27 0.00 0.39 0.07 0.00 0.00 179.01 179.74 3fji n GLU 82 N -3.28 1.18 -0.01 1.06 1.02 -1.26 -3.78 120.64 115.57 3fji n GLU 82 Ca 0.01 -0.28 0.11 0.00 -0.02 0.00 0.00 57.16 56.98 3fji n GLU 82 Cb 0.54 -1.08 -0.16 0.00 -0.02 0.00 0.00 31.44 30.72 3fji n GLU 82 CO 0.00 0.00 0.00 -0.89 1.18 0.00 0.00 177.13 177.42 3fji n ILE 83 N -0.29 0.00 -2.79 -3.67 5.41 -1.23 -1.43 119.36 115.37 3fji n ILE 83 Ca 0.03 -0.43 -0.42 0.00 1.00 0.00 0.00 62.75 62.94 3fji n ILE 83 Cb 0.07 0.13 -0.03 0.00 -0.71 0.00 0.00 39.64 39.10 3fji n ILE 83 CO 0.00 0.00 0.00 -0.76 0.00 0.00 0.00 176.55 175.79 3fji s LEU 84 N -4.30 4.25 0.04 1.39 1.43 -1.25 -4.41 118.68 115.83 3fji s LEU 84 Ca -0.06 1.40 0.08 0.00 -1.03 0.00 0.00 54.13 54.52 3fji s LEU 84 Cb 0.14 -3.40 -0.03 0.00 0.03 0.00 0.00 46.19 42.93 3fji s LEU 84 CO 0.88 -0.37 -0.22 -0.36 0.23 0.00 0.00 176.35 176.52 3fji s PHE 85 N 1.78 1.91 -0.63 0.29 0.08 -0.70 -1.78 117.98 118.92 3fji s PHE 85 Ca 0.44 -0.38 -0.23 0.00 0.12 0.00 0.00 56.93 56.89 3fji s PHE 85 Cb -0.18 -1.14 0.06 0.00 -0.57 0.00 0.00 43.02 41.19 3fji s PHE 85 CO 0.18 0.10 0.95 -0.51 -0.10 0.00 0.00 175.22 175.83 3fji s LEU 86 N -1.18 4.33 -0.17 -0.37 1.43 0.93 -0.26 118.68 123.39 3fji s LEU 86 Ca 0.08 -0.85 -0.29 0.00 -1.03 0.00 0.00 54.13 52.04 3fji s LEU 86 Cb -0.09 -2.50 -0.00 0.00 0.03 0.00 0.00 46.19 43.62 3fji s LEU 86 CO 0.02 -1.38 1.08 -0.70 0.23 0.00 0.00 176.35 175.60 3fji s GLU 87 N 4.01 4.31 0.03 1.70 2.12 0.67 -2.19 118.70 129.35 3fji s GLU 87 Ca 0.24 1.44 0.02 0.00 0.36 0.00 0.00 54.97 57.03 3fji s GLU 87 Cb -0.16 -3.63 -0.02 0.00 0.26 0.00 0.00 34.13 30.58 3fji s GLU 87 CO 0.12 -0.54 -0.07 1.03 -0.54 0.00 0.00 175.26 175.25 3fji s ARG 88 N 2.85 0.51 0.39 4.30 1.81 -0.65 -4.75 118.95 123.41 3fji s ARG 88 Ca 0.48 -0.66 -0.25 0.00 -1.72 0.00 0.00 55.73 53.58 3fji s ARG 88 Cb -0.18 -0.31 -0.09 0.00 -0.45 0.00 0.00 34.95 33.92 3fji s ARG 88 CO 0.12 0.06 1.09 -1.17 -0.68 0.00 0.00 175.30 174.72 3fji s LEU 89 N -1.34 4.19 -0.00 2.53 2.96 0.23 -0.80 118.68 126.46 3fji s LEU 89 Ca -0.08 2.15 0.00 0.00 -0.22 0.00 0.00 54.13 55.98 3fji s LEU 89 Cb -0.09 -4.09 -0.00 0.00 0.50 0.00 0.00 46.19 42.52 3fji s LEU 89 CO 0.00 -0.52 -0.01 -0.70 -1.32 0.00 0.00 176.35 173.81 3fji s GLU 90 N -2.34 0.06 -1.44 1.98 2.56 0.15 -4.82 118.70 114.85 3fji s GLU 90 Ca 0.56 -0.03 -0.11 0.00 0.00 0.00 0.00 54.97 55.40 3fji s GLU 90 Cb -0.25 -0.07 0.07 0.00 2.00 0.00 0.00 34.13 35.88 3fji s GLU 90 CO 0.32 0.01 0.71 0.39 -0.56 0.00 0.00 175.26 176.13 3fji n GLU 91 N 3.08 -4.37 -1.30 4.30 1.02 -1.26 -0.64 120.64 121.46 3fji n GLU 91 Ca -0.12 0.57 -0.11 0.00 -0.02 0.00 0.00 57.16 57.48 3fji n GLU 91 Cb 0.60 -5.38 -0.05 0.00 -0.02 0.00 0.00 31.44 26.59 3fji n GLU 91 CO 0.00 0.00 0.00 0.09 1.18 0.00 0.00 177.13 178.40 3fji n ASN 92 N -2.54 -3.36 0.00 1.62 4.13 -1.26 -4.54 115.26 109.31 3fji n ASN 92 Ca 0.00 0.28 0.00 0.00 1.68 0.00 0.00 54.58 56.54 3fji n ASN 92 Cb 0.54 -3.06 0.00 0.00 -1.54 0.00 0.00 39.78 35.72 3fji n ASN 92 CO 0.00 0.00 0.00 1.57 0.28 0.00 0.00 177.26 179.11 3fji n HIS 93 N -1.78 -1.15 -2.02 3.10 -0.00 -0.03 -5.15 115.22 108.19 3fji n HIS 93 Ca -0.11 0.00 -0.28 0.00 0.46 0.00 0.00 57.72 57.79 3fji n HIS 93 Cb 0.41 0.50 0.07 0.00 -0.12 0.00 0.00 29.99 30.85 3fji n HIS 93 CO 0.00 0.00 0.00 0.71 0.46 0.00 0.00 176.34 177.51 3fji s TYR 94 N -2.00 3.00 -0.20 1.57 1.51 0.18 -4.79 117.35 116.62 3fji s TYR 94 Ca 0.00 0.68 -0.06 0.00 -1.01 0.00 0.00 57.07 56.68 3fji s TYR 94 Cb 0.00 -3.31 -0.03 0.00 -0.11 0.00 0.00 41.96 38.51 3fji s TYR 94 CO 0.00 -1.54 0.02 -0.80 -1.11 0.00 0.00 175.55 172.12 3fji s ASN 95 N -4.52 4.99 0.33 2.29 -0.87 -0.14 -0.67 114.94 116.35 3fji s ASN 95 Ca 0.60 -0.16 0.09 0.00 -1.57 0.00 0.00 52.86 51.83 3fji s ASN 95 Cb -0.11 -1.86 -0.06 0.00 -0.02 0.00 0.00 41.25 39.21 3fji s ASN 95 CO 0.48 0.07 -0.04 0.42 -2.57 0.00 0.00 177.10 175.46 3fji s THR 96 N 0.98 2.55 -0.06 1.60 -4.23 0.02 -1.63 115.64 114.86 3fji s THR 96 Ca 0.02 -2.07 -0.02 0.00 -1.18 0.00 0.00 61.69 58.44 3fji s THR 96 Cb -0.14 -2.71 0.04 0.00 1.34 0.00 0.00 72.50 71.02 3fji s THR 96 CO 0.02 -0.23 0.11 -0.31 -0.54 0.00 0.00 174.62 173.67 3fji s TYR 97 N -2.53 -0.07 -0.06 3.99 2.02 -1.26 -1.63 117.35 117.80 3fji s TYR 97 Ca 0.34 0.41 0.01 0.00 -0.37 0.00 0.00 57.07 57.46 3fji s TYR 97 Cb -0.00 -0.29 -0.03 0.00 -0.40 0.00 0.00 41.96 41.24 3fji s TYR 97 CO 0.18 -0.20 -0.08 0.42 -1.57 0.00 0.00 175.55 174.30 3fji s ILE 98 N 1.88 3.64 0.13 2.71 1.01 -0.93 -0.98 121.20 128.67 3fji s ILE 98 Ca -0.00 -0.52 -0.31 0.00 0.00 0.00 0.00 60.65 59.81 3fji s ILE 98 Cb -0.12 -2.49 -0.09 0.00 0.01 0.00 0.00 42.46 39.77 3fji s ILE 98 CO -0.05 0.58 1.53 -0.55 0.00 0.00 0.00 174.94 176.45 3fji s SER 99 N -0.85 6.66 -0.02 3.58 0.15 -0.54 -0.05 113.70 122.64 3fji s SER 99 Ca 0.13 2.50 -0.24 0.00 0.70 0.00 0.00 55.95 59.04 3fji s SER 99 Cb -0.11 -2.59 -0.17 0.00 -1.71 0.00 0.00 66.02 61.44 3fji s SER 99 CO 0.02 -0.78 1.15 0.50 1.20 0.00 0.00 173.24 175.32 3fji h LYS 100 N 7.04 -0.21 -0.90 5.44 3.64 -1.69 0.15 116.57 130.03 3fji h LYS 100 Ca -0.42 0.01 0.16 0.00 -1.27 0.00 0.00 60.65 59.13 3fji h LYS 100 Cb 1.20 0.05 -0.07 0.00 -0.41 0.00 0.00 32.23 33.00 3fji h LYS 100 CO 0.90 0.18 0.58 -0.22 -2.27 0.00 0.00 179.45 178.63 3fji h LYS 101 N -0.69 0.64 -0.33 1.90 3.64 -1.80 -1.68 116.57 118.25 3fji h LYS 101 Ca -0.02 -0.04 -0.13 0.00 -1.27 0.00 0.00 60.65 59.19 3fji h LYS 101 Cb 0.50 -0.14 -0.08 0.00 -0.41 0.00 0.00 32.23 32.09 3fji h LYS 101 CO 0.04 0.42 -0.03 0.72 -2.27 0.00 0.00 179.45 178.33 3fji n HIS 102 N -4.57 1.07 -0.17 1.91 8.25 -1.21 -4.77 115.22 115.73 3fji n HIS 102 Ca 0.18 -1.37 -0.02 0.00 -0.26 0.00 0.00 57.72 56.26 3fji n HIS 102 Cb 0.51 -0.44 0.08 0.00 1.12 0.00 0.00 29.99 31.26 3fji n HIS 102 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 3fji h ALA 103 N 1.21 0.59 0.00 -1.41 0.00 0.29 -0.60 119.26 119.34 3fji h ALA 103 Ca 0.16 0.11 0.00 0.00 0.00 0.00 0.00 54.91 55.18 3fji h ALA 103 Cb 1.61 0.16 0.00 0.00 0.00 0.00 0.00 17.79 19.56 3fji h ALA 103 CO 0.35 -0.31 0.02 -0.85 0.00 0.00 0.00 179.25 178.46 3fji n GLU 104 N -5.12 0.00 -0.12 0.00 0.00 -1.26 -0.85 120.64 113.29 3fji n GLU 104 Ca 0.06 0.42 0.08 0.00 0.00 0.00 0.00 57.16 57.73 3fji n GLU 104 Cb 0.27 -1.52 0.14 0.00 0.00 0.00 0.00 31.44 30.32 3fji n GLU 104 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.13 178.76 3fji n LYS 105 N -1.42 1.97 -3.51 3.44 5.02 -0.24 -5.01 118.16 118.41 3fji n LYS 105 Ca 0.00 -1.85 -0.22 0.00 -2.02 0.00 0.00 58.31 54.21 3fji n LYS 105 Cb 0.02 -1.35 0.05 0.00 -0.02 0.00 0.00 35.03 33.74 3fji n LYS 105 CO 0.00 0.00 0.00 0.09 -0.52 0.00 0.00 177.40 176.97 3fji n ASN 106 N 0.95 -4.75 -4.23 4.39 4.13 -0.03 -4.94 115.26 110.79 3fji n ASN 106 Ca 0.13 -0.84 -0.40 0.00 1.68 0.00 0.00 54.58 55.15 3fji n ASN 106 Cb 0.45 -4.31 -0.09 0.00 -1.54 0.00 0.00 39.78 34.30 3fji n ASN 106 CO 0.00 0.00 0.00 0.26 0.28 0.00 0.00 177.26 177.80 3fji s TRP 107 N -3.48 3.39 0.61 3.10 0.51 -1.26 -4.51 118.94 117.30 3fji s TRP 107 Ca 0.34 -1.74 0.02 0.00 -2.12 0.00 0.00 56.10 52.61 3fji s TRP 107 Cb -0.08 -3.23 0.07 0.00 -0.81 0.00 0.00 33.47 29.42 3fji s TRP 107 CO 0.80 -0.93 0.85 -0.06 -0.51 0.00 0.00 176.95 177.10 3fji s PHE 108 N 1.38 2.21 0.04 -1.98 0.40 -1.26 -1.46 117.98 117.32 3fji s PHE 108 Ca 0.04 -0.22 -0.12 0.00 -0.60 0.00 0.00 56.93 56.04 3fji s PHE 108 Cb -0.25 -2.76 -0.06 0.00 0.51 0.00 0.00 43.02 40.47 3fji s PHE 108 CO 0.00 -1.19 0.41 0.08 0.70 0.00 0.00 175.22 175.22 3fji s VAL 109 N -2.87 5.06 -0.14 -0.44 1.01 -0.15 -4.60 120.40 118.27 3fji s VAL 109 Ca 0.61 0.65 -0.31 0.00 0.00 0.00 0.00 61.98 62.93 3fji s VAL 109 Cb -0.08 -3.68 0.13 0.00 0.00 0.00 0.00 36.38 32.75 3fji s VAL 109 CO 0.40 0.42 1.04 -0.83 0.00 0.00 0.00 175.10 176.13 3fji s GLY 110 N -1.44 -0.29 0.02 4.51 0.00 -1.26 -4.34 107.32 104.52 3fji s GLY 110 Ca 0.29 1.77 0.05 0.00 0.00 0.00 0.00 44.72 46.83 3fji s GLY 110 CO 0.16 0.78 -0.16 1.08 0.00 0.00 0.00 173.10 174.95 3fji s LEU 111 N -1.63 2.11 0.83 0.66 1.43 -0.92 -1.14 118.68 120.02 3fji s LEU 111 Ca 0.03 -0.40 -0.12 0.00 -1.03 0.00 0.00 54.13 52.61 3fji s LEU 111 Cb -0.01 -0.77 0.09 0.00 0.03 0.00 0.00 46.19 45.53 3fji s LEU 111 CO -0.03 0.13 1.17 -0.54 0.23 0.00 0.00 176.35 177.31 3fji s LYS 112 N -0.82 1.82 0.12 1.70 1.02 0.31 -4.39 119.74 119.49 3fji s LYS 112 Ca 0.05 0.14 0.15 0.00 0.02 0.00 0.00 55.97 56.33 3fji s LYS 112 Cb -0.07 -1.93 0.68 0.00 -0.52 0.00 0.00 37.83 35.98 3fji s LYS 112 CO 0.01 -1.70 1.47 1.63 -0.92 0.00 0.00 175.35 175.83 3fji n LYS 113 N -3.40 0.07 -0.17 1.68 5.02 -1.26 -1.42 118.16 118.69 3fji n LYS 113 Ca 0.08 0.40 0.10 0.00 -2.02 0.00 0.00 58.31 56.87 3fji n LYS 113 Cb 0.61 -1.67 0.19 0.00 -0.02 0.00 0.00 35.03 34.14 3fji n LYS 113 CO 0.00 0.00 0.00 0.27 -0.52 0.00 0.00 177.40 177.15 3fji n ASN 114 N -1.81 3.24 0.00 4.39 0.23 -1.26 -4.58 115.26 115.47 3fji n ASN 114 Ca 0.02 -1.93 0.00 0.00 -0.53 0.00 0.00 54.58 52.13 3fji n ASN 114 Cb 0.13 -0.22 0.00 0.00 -2.08 0.00 0.00 39.78 37.61 3fji n ASN 114 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 3fji n GLY 115 N 1.28 0.70 3.78 4.83 0.00 -0.51 -5.00 105.19 110.27 3fji n GLY 115 Ca 0.17 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.84 3fji n GLY 115 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3fji s SER 116 N -2.13 5.76 0.49 1.61 1.04 -1.26 -0.98 113.70 118.22 3fji s SER 116 Ca 0.00 0.25 -0.21 0.00 0.48 0.00 0.00 55.95 56.47 3fji s SER 116 Cb 0.00 -1.72 -0.10 0.00 0.10 0.00 0.00 66.02 64.30 3fji s SER 116 CO 0.00 0.35 0.62 0.52 0.98 0.00 0.00 173.24 175.71 3fji n VAL 117 N 1.74 2.13 -3.63 5.02 0.31 -1.26 -0.53 118.33 122.11 3fji n VAL 117 Ca -0.17 -0.50 -0.39 0.00 -0.01 0.00 0.00 64.34 63.27 3fji n VAL 117 Cb 0.54 -0.71 -0.10 0.00 -0.91 0.00 0.00 33.84 32.66 3fji n VAL 117 CO 0.00 0.00 0.00 -0.75 -1.32 0.00 0.00 176.83 174.76 3fji s LYS 118 N -1.89 2.35 0.06 5.55 2.20 -0.29 -4.66 119.74 123.05 3fji s LYS 118 Ca 0.66 -1.75 -0.25 0.00 -0.36 0.00 0.00 55.97 54.27 3fji s LYS 118 Cb -0.53 -3.80 -0.13 0.00 -1.51 0.00 0.00 37.83 31.86 3fji s LYS 118 CO 0.56 -1.13 0.61 -2.13 -0.36 0.00 0.00 175.35 172.90 3fji n ARG 119 N 4.81 0.00 -0.35 4.03 0.63 -1.26 -4.58 116.66 119.94 3fji n ARG 119 Ca -0.06 0.00 -0.04 0.00 -0.92 0.00 0.00 57.85 56.83 3fji n ARG 119 Cb 0.41 -0.93 -0.00 0.00 0.45 0.00 0.00 32.46 32.39 3fji n ARG 119 CO 0.00 0.00 0.00 0.41 -2.51 0.00 0.00 177.63 175.53 3fji n GLY 120 N 1.22 -1.99 0.41 5.14 0.00 0.23 -0.51 105.19 109.69 3fji n GLY 120 Ca 0.14 1.02 0.22 0.00 0.00 0.00 0.00 46.02 47.40 3fji n GLY 120 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 3fji h PRO 121 N 0.00 0.10 0.00 1.61 0.11 -1.83 0.45 132.00 132.45 3fji h PRO 121 Ca 0.26 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 66.36 3fji h PRO 121 Cb 0.48 -0.02 0.00 0.00 0.11 0.00 0.00 31.00 31.57 3fji h PRO 121 CO -0.88 0.07 -0.07 0.54 -0.21 0.00 0.00 178.00 177.45 3fji n ARG 122 N -4.37 0.19 -3.04 1.05 5.12 0.33 -4.86 116.66 111.07 3fji n ARG 122 Ca 0.14 0.14 -0.30 0.00 -1.93 0.00 0.00 57.85 55.90 3fji n ARG 122 Cb 0.72 -1.70 -0.04 0.00 -1.16 0.00 0.00 32.46 30.28 3fji n ARG 122 CO 0.00 0.00 0.00 0.95 -1.93 0.00 0.00 177.63 176.65 3fji s THR 123 N -3.08 4.83 0.02 0.55 -4.23 0.15 -5.00 115.64 108.89 3fji s THR 123 Ca 0.11 0.53 -0.28 0.00 -1.18 0.00 0.00 61.69 60.88 3fji s THR 123 Cb 0.14 -3.71 0.10 0.00 1.34 0.00 0.00 72.50 70.37 3fji s THR 123 CO 0.59 -0.40 0.84 -1.38 -0.54 0.00 0.00 174.62 173.73 3fji s HIS 124 N -2.21 -0.38 0.53 3.99 -3.43 -1.26 -4.80 115.29 107.73 3fji s HIS 124 Ca 0.50 0.23 -0.21 0.00 -0.80 0.00 0.00 55.06 54.77 3fji s HIS 124 Cb -0.10 0.54 -0.07 0.00 -1.43 0.00 0.00 32.58 31.52 3fji s HIS 124 CO 0.28 -0.60 1.08 0.66 -2.00 0.00 0.00 174.74 174.16 3fji n TYR 125 N -0.27 1.32 0.00 0.38 4.01 -1.26 -2.60 117.16 118.73 3fji n TYR 125 Ca -0.10 0.47 0.00 0.00 -0.16 0.00 0.00 57.90 58.11 3fji n TYR 125 Cb 0.62 -2.23 0.00 0.00 -0.31 0.00 0.00 39.34 37.43 3fji n TYR 125 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 3fji n GLY 126 N 1.11 3.07 3.82 2.72 0.00 -1.26 -5.07 105.19 109.59 3fji n GLY 126 Ca 0.11 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.84 3fji n GLY 126 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 3fji s GLN 127 N -0.81 1.88 -0.04 1.61 -0.21 -1.07 -4.98 119.66 116.04 3fji s GLN 127 Ca 0.00 0.45 0.16 0.00 0.02 0.00 0.00 55.36 55.99 3fji s GLN 127 Cb 0.00 -1.91 -0.21 0.00 1.00 0.00 0.00 33.01 31.89 3fji s GLN 127 CO 0.00 -1.72 0.57 1.63 -2.12 0.00 0.00 175.29 173.65 3fji n LYS 128 N -3.47 0.64 -0.00 2.91 4.76 -1.26 -4.07 118.16 117.67 3fji n LYS 128 Ca 0.07 0.17 0.22 0.00 -2.87 0.00 0.00 58.31 55.90 3fji n LYS 128 Cb 0.58 -1.72 0.72 0.00 -1.84 0.00 0.00 35.03 32.77 3fji n LYS 128 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 3fji h ALA 129 N 1.22 2.41 -0.02 7.82 0.00 -1.94 -1.96 119.26 126.79 3fji h ALA 129 Ca -0.28 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.61 3fji h ALA 129 Cb 1.85 0.04 0.00 0.00 0.00 0.00 0.00 17.79 19.68 3fji h ALA 129 CO 0.05 -0.77 -0.04 0.44 0.00 0.00 0.00 179.25 178.93 3fji n ILE 130 N -4.03 0.00 -3.34 0.00 -5.35 -1.26 -2.17 119.36 103.21 3fji n ILE 130 Ca 0.11 -0.33 -0.44 0.00 -0.27 0.00 0.00 62.75 61.82 3fji n ILE 130 Cb 0.71 0.90 -0.08 0.00 -1.74 0.00 0.00 39.64 39.43 3fji n ILE 130 CO 0.00 0.00 0.00 -0.76 -1.76 0.00 0.00 176.55 174.03 3fji s LEU 131 N -2.06 5.19 0.15 7.28 1.43 -0.74 -4.36 118.68 125.59 3fji s LEU 131 Ca 0.32 -0.99 0.08 0.00 -1.03 0.00 0.00 54.13 52.51 3fji s LEU 131 Cb 0.20 -2.28 -0.04 0.00 0.03 0.00 0.00 46.19 44.10 3fji s LEU 131 CO 0.35 -0.63 -0.05 -0.36 0.23 0.00 0.00 176.35 175.88 3fji s PHE 132 N 1.97 2.77 -0.16 0.29 0.40 -0.65 -1.19 117.98 121.41 3fji s PHE 132 Ca 0.08 -0.16 0.01 0.00 -0.60 0.00 0.00 56.93 56.26 3fji s PHE 132 Cb -0.20 -1.38 0.01 0.00 0.51 0.00 0.00 43.02 41.96 3fji s PHE 132 CO 0.10 0.49 -0.18 -0.51 0.70 0.00 0.00 175.22 175.83 3fji s LEU 133 N -2.68 2.31 -0.99 -0.37 1.02 0.71 -0.97 118.68 117.71 3fji s LEU 133 Ca 0.25 -0.55 -0.21 0.00 0.02 0.00 0.00 54.13 53.63 3fji s LEU 133 Cb -0.10 -1.52 0.08 0.00 0.02 0.00 0.00 46.19 44.67 3fji s LEU 133 CO 0.16 0.05 1.33 -2.16 0.02 0.00 0.00 176.35 175.75 3fji s PRO 134 N 1.02 3.60 0.11 1.29 0.04 -1.26 -1.49 135.00 138.31 3fji s PRO 134 Ca -0.02 -1.39 -0.27 0.00 0.04 0.00 0.00 61.00 59.36 3fji s PRO 134 Cb -0.15 -5.19 -0.06 0.00 0.04 0.00 0.00 34.50 29.14 3fji s PRO 134 CO -0.05 -2.04 0.84 -0.51 0.04 0.00 0.00 177.00 175.29 3fji s LEU 135 N 4.05 4.52 0.98 -3.56 1.02 0.97 -4.80 118.68 121.85 3fji s LEU 135 Ca 0.41 1.64 -0.12 0.00 0.02 0.00 0.00 54.13 56.08 3fji s LEU 135 Cb -0.02 -3.39 0.18 0.00 0.02 0.00 0.00 46.19 42.98 3fji s LEU 135 CO -0.09 0.05 1.08 -2.84 0.02 0.00 0.00 176.35 174.57 3fji s PRO 136 N -0.41 0.59 0.00 1.29 0.02 -1.26 0.18 135.00 135.41 3fji s PRO 136 Ca 0.41 0.79 0.00 0.00 0.02 0.00 0.00 61.00 62.21 3fji s PRO 136 Cb -0.22 -1.73 0.00 0.00 0.02 0.00 0.00 34.50 32.56 3fji s PRO 136 CO 0.27 -2.69 0.00 0.28 -0.33 0.00 0.00 177.00 174.53