#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 0.54 -2.36 -1.40 7.35 -1.26 -4.98 117.46 115.35 3fji n PHE 1 Ca 0.00 -1.63 -0.42 0.00 -0.76 0.00 0.00 57.45 54.64 3fji n PHE 1 Cb 0.00 -0.29 -0.02 0.00 0.35 0.00 0.00 39.48 39.52 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 -3.25 6.18 0.30 -2.13 0.01 -1.26 -4.99 114.94 109.80 3fji s ASN 2 Ca 0.41 0.51 -0.01 0.00 -0.71 0.00 0.00 52.86 53.06 3fji s ASN 2 Cb 0.38 -2.54 -0.04 0.00 0.41 0.00 0.00 41.25 39.46 3fji s ASN 2 CO -0.05 -1.62 0.52 -0.76 -1.51 0.00 0.00 177.10 173.68 3fji s LEU 3 N 5.92 4.07 0.42 0.60 1.43 -1.26 -1.35 118.68 128.51 3fji s LEU 3 Ca 0.57 0.51 -0.06 0.00 -1.03 0.00 0.00 54.13 54.11 3fji s LEU 3 Cb -0.12 -3.34 -0.05 0.00 0.03 0.00 0.00 46.19 42.71 3fji s LEU 3 CO 0.28 -0.21 0.73 -2.16 0.23 0.00 0.00 176.35 175.22 3fji s PRO 4 N -3.90 3.63 0.57 1.29 0.04 -1.26 -4.52 135.00 130.85 3fji s PRO 4 Ca 0.41 0.23 0.16 0.00 0.04 0.00 0.00 61.00 61.83 3fji s PRO 4 Cb -0.10 -2.44 0.88 0.00 0.04 0.00 0.00 34.50 32.88 3fji s PRO 4 CO 0.33 -0.07 1.46 -1.00 0.04 0.00 0.00 177.00 177.76 3fji h PRO 5 N 0.80 0.00 -2.98 0.56 0.13 -1.98 -3.46 132.00 125.06 3fji h PRO 5 Ca -0.47 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.66 3fji h PRO 5 Cb 1.20 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.33 3fji h PRO 5 CO 0.63 0.00 -0.63 0.41 -0.23 0.00 0.00 178.00 178.18 3fji n GLY 6 N -1.31 -4.66 2.67 1.56 0.00 -1.26 -5.00 105.19 97.19 3fji n GLY 6 Ca -0.01 -0.50 -0.30 0.00 0.00 0.00 0.00 46.02 45.21 3fji n GLY 6 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 3fji s ASN 7 N -0.93 3.66 0.00 1.61 0.01 -1.26 -4.93 114.94 113.11 3fji s ASN 7 Ca 0.00 -2.17 0.04 0.00 -0.71 0.00 0.00 52.86 50.01 3fji s ASN 7 Cb 0.00 -0.85 -0.00 0.00 0.41 0.00 0.00 41.25 40.81 3fji s ASN 7 CO 0.00 -0.33 0.37 -1.22 -1.51 0.00 0.00 177.10 174.41 3fji n TYR 8 N 4.13 0.00 -0.14 2.20 4.01 -1.26 -4.74 117.16 121.36 3fji n TYR 8 Ca 0.05 0.00 -0.05 0.00 -0.16 0.00 0.00 57.90 57.74 3fji n TYR 8 Cb 0.38 0.00 0.02 0.00 -0.31 0.00 0.00 39.34 39.42 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 0.36 -0.10 -4.46 -0.72 1.79 -1.91 -3.45 116.57 108.07 3fji h LYS 9 Ca 0.00 0.01 -0.19 0.00 -2.18 0.00 0.00 60.65 58.29 3fji h LYS 9 Cb 0.12 0.02 -0.15 0.00 -1.58 0.00 0.00 32.23 30.64 3fji h LYS 9 CO 0.00 -0.07 -0.67 -1.59 -1.08 0.00 0.00 179.45 176.04 3fji s LYS 10 N -6.14 0.85 0.64 3.15 -2.85 -1.26 -5.12 119.74 109.00 3fji s LYS 10 Ca -0.14 -1.38 -0.18 0.00 -1.00 0.00 0.00 55.97 53.27 3fji s LYS 10 Cb 0.15 0.09 -0.04 0.00 -2.06 0.00 0.00 37.83 35.97 3fji s LYS 10 CO 0.70 -0.16 0.89 -0.35 0.10 0.00 0.00 175.35 176.53 3fji n PRO 11 N -0.05 0.72 -4.19 1.78 -0.04 -1.26 -4.77 135.00 127.19 3fji n PRO 11 Ca -0.09 0.29 -0.16 0.00 -0.04 0.00 0.00 63.50 63.50 3fji n PRO 11 Cb 0.62 -2.11 -0.07 0.00 -0.04 0.00 0.00 33.50 31.90 3fji n PRO 11 CO 0.00 0.00 0.00 0.54 -0.04 0.00 0.00 175.50 176.00 3fji s VAL 12 N -1.62 0.00 -0.09 0.52 0.11 0.13 -4.40 120.40 115.05 3fji s VAL 12 Ca 0.75 -1.84 0.01 0.00 -2.93 0.00 0.00 61.98 57.97 3fji s VAL 12 Cb -0.40 -2.53 -0.02 0.00 -1.53 0.00 0.00 36.38 31.90 3fji s VAL 12 CO 0.48 0.00 -0.11 -0.76 -3.33 0.00 0.00 175.10 171.38 3fji s LEU 13 N -3.27 2.88 -0.70 2.54 1.43 -0.54 -0.58 118.68 120.44 3fji s LEU 13 Ca 0.36 -0.18 -0.17 0.00 -1.03 0.00 0.00 54.13 53.11 3fji s LEU 13 Cb 0.02 -1.62 0.15 0.00 0.03 0.00 0.00 46.19 44.77 3fji s LEU 13 CO 0.22 0.28 0.73 -0.76 0.23 0.00 0.00 176.35 177.05 3fji s LEU 14 N -0.33 6.00 -0.18 1.79 1.43 -1.26 -1.72 118.68 124.41 3fji s LEU 14 Ca 0.04 -2.02 -0.24 0.00 -1.03 0.00 0.00 54.13 50.88 3fji s LEU 14 Cb -0.13 -2.26 -0.02 0.00 0.03 0.00 0.00 46.19 43.82 3fji s LEU 14 CO 0.02 -0.87 0.77 -0.47 0.23 0.00 0.00 176.35 176.03 3fji s TYR 15 N 1.58 3.40 -0.14 0.29 5.04 -0.91 -1.64 117.35 124.98 3fji s TYR 15 Ca 0.14 1.15 -0.13 0.00 -2.44 0.00 0.00 57.07 55.79 3fji s TYR 15 Cb -0.18 -2.94 -0.05 0.00 0.35 0.00 0.00 41.96 39.14 3fji s TYR 15 CO -0.02 -0.22 0.29 0.00 -1.34 0.00 0.00 175.55 174.26 3fji n SER 17 N 3.21 0.00 -0.25 0.00 2.88 -0.94 -0.43 113.62 118.09 3fji n SER 17 Ca -0.13 0.46 0.10 0.00 -1.33 0.00 0.00 58.87 57.98 3fji n SER 17 Cb 0.52 0.00 0.21 0.00 -0.75 0.00 0.00 64.21 64.19 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 -0.48 -0.09 -0.11 -3.46 6.94 -1.23 -1.85 115.26 114.97 3fji n ASN 18 Ca 0.00 1.23 -0.12 0.00 -0.02 0.00 0.00 54.58 55.67 3fji n ASN 18 Cb 0.00 -0.44 -0.15 0.00 -2.36 0.00 0.00 39.78 36.83 3fji n ASN 18 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 3fji n GLY 19 N -1.37 -0.84 0.86 4.83 0.00 -1.26 -4.81 105.19 102.61 3fji n GLY 19 Ca 0.17 -0.30 0.00 0.00 0.00 0.00 0.00 46.02 45.89 3fji n GLY 19 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3fji n GLY 20 N 1.88 0.56 3.66 -0.02 0.00 0.43 -4.99 105.19 106.72 3fji n GLY 20 Ca -0.36 -0.40 -0.27 0.00 0.00 0.00 0.00 46.02 44.98 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 -2.60 2.53 -0.17 1.61 3.76 -1.18 -4.59 115.29 114.67 3fji s HIS 21 Ca 0.00 -0.65 -0.03 0.00 -0.15 0.00 0.00 55.06 54.23 3fji s HIS 21 Cb 0.00 -1.84 -0.02 0.00 1.11 0.00 0.00 32.58 31.83 3fji s HIS 21 CO 0.00 0.36 -0.07 -0.06 -0.85 0.00 0.00 174.74 174.12 3fji s PHE 22 N -2.68 2.94 0.11 1.40 0.08 -0.33 -0.72 117.98 118.78 3fji s PHE 22 Ca 0.36 -0.57 -0.31 0.00 0.12 0.00 0.00 56.93 56.53 3fji s PHE 22 Cb 0.08 -1.96 -0.11 0.00 -0.57 0.00 0.00 43.02 40.46 3fji s PHE 22 CO 0.19 -0.23 1.84 -0.11 -0.10 0.00 0.00 175.22 176.82 3fji n LEU 23 N 3.87 4.00 -4.16 -0.37 7.94 -0.65 -2.48 117.00 125.15 3fji n LEU 23 Ca -0.18 0.98 -0.28 0.00 -1.11 0.00 0.00 56.01 55.42 3fji n LEU 23 Cb 0.52 -1.53 -0.16 0.00 0.53 0.00 0.00 43.42 42.77 3fji n LEU 23 CO 0.31 0.15 -0.52 -0.60 -1.11 0.00 0.00 177.39 175.62 3fji s ARG 24 N 2.87 2.22 -0.64 1.96 3.52 0.09 -4.48 118.95 124.48 3fji s ARG 24 Ca 0.83 -0.70 -0.03 0.00 -0.13 0.00 0.00 55.73 55.70 3fji s ARG 24 Cb -0.49 -1.82 0.17 0.00 -1.56 0.00 0.00 34.95 31.24 3fji s ARG 24 CO 0.38 0.22 0.46 0.42 -0.81 0.00 0.00 175.30 175.97 3fji s ILE 25 N 0.17 3.75 0.61 4.11 1.01 -1.01 -2.03 121.20 127.81 3fji s ILE 25 Ca -0.09 -3.04 -0.19 0.00 0.00 0.00 0.00 60.65 57.33 3fji s ILE 25 Cb -0.14 -3.43 -0.03 0.00 0.01 0.00 0.00 42.46 38.87 3fji s ILE 25 CO 0.04 -0.89 1.24 0.18 0.00 0.00 0.00 174.94 175.51 3fji n LEU 26 N 3.39 5.44 -0.29 2.97 4.77 0.24 -4.87 117.00 128.64 3fji n LEU 26 Ca 0.09 0.86 0.28 0.00 -0.03 0.00 0.00 56.01 57.20 3fji n LEU 26 Cb 0.38 -1.53 0.62 0.00 -2.33 0.00 0.00 43.42 40.56 3fji n LEU 26 CO 0.34 -1.08 1.26 -0.65 -1.33 0.00 0.00 177.39 175.93 3fji h PRO 27 N 0.74 0.20 0.00 3.23 0.11 -1.98 0.22 132.00 134.50 3fji h PRO 27 Ca -0.50 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.59 3fji h PRO 27 Cb 1.34 -0.04 0.00 0.00 0.11 0.00 0.00 31.00 32.40 3fji h PRO 27 CO 0.54 0.13 0.00 -0.40 -0.21 0.00 0.00 178.00 178.05 3fji n ASP 28 N -4.42 0.00 0.00 -2.05 5.75 -1.26 -4.85 116.55 109.73 3fji n ASP 28 Ca 0.24 -1.31 0.00 0.00 -0.01 0.00 0.00 54.79 53.70 3fji n ASP 28 Cb 1.00 0.00 0.00 0.00 -1.03 0.00 0.00 41.12 41.09 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 0.66 0.74 3.75 6.12 0.00 0.76 -4.96 105.19 112.26 3fji n GLY 29 Ca 0.13 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.74 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 -2.25 3.05 -0.07 2.61 2.01 -1.24 0.15 115.64 119.90 3fji s THR 30 Ca 0.00 0.94 0.04 0.00 0.31 0.00 0.00 61.69 62.98 3fji s THR 30 Cb 0.00 -3.60 -0.02 0.00 0.01 0.00 0.00 72.50 68.89 3fji s THR 30 CO 0.00 0.18 -0.20 -0.69 -0.69 0.00 0.00 174.62 173.22 3fji s VAL 31 N -0.42 2.54 0.00 3.82 1.01 -1.26 -0.59 120.40 125.50 3fji s VAL 31 Ca 0.53 -0.89 0.00 0.00 0.00 0.00 0.00 61.98 61.62 3fji s VAL 31 Cb -0.37 -1.98 0.00 0.00 0.00 0.00 0.00 36.38 34.03 3fji s VAL 31 CO 0.43 0.57 0.00 -0.90 0.00 0.00 0.00 175.10 175.20 3fji n ASP 32 N 2.85 0.00 -3.88 3.32 5.75 -0.86 -4.48 116.55 119.24 3fji n ASP 32 Ca -0.17 0.00 -0.11 0.00 -0.01 0.00 0.00 54.79 54.50 3fji n ASP 32 Cb 0.52 0.00 -0.10 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 -0.14 0.07 -0.00 6.12 0.00 0.08 -0.73 107.32 112.71 3fji s GLY 33 Ca 0.00 -0.20 -0.04 0.00 0.00 0.00 0.00 44.72 44.49 3fji s GLY 33 CO 0.00 -0.33 0.07 -1.08 0.00 0.00 0.00 173.10 171.76 3fji s THR 34 N -1.43 0.07 -1.81 0.90 -1.32 -1.04 -4.80 115.64 106.21 3fji s THR 34 Ca -0.15 -0.55 0.09 0.00 -1.21 0.00 0.00 61.69 59.88 3fji s THR 34 Cb -0.08 -0.28 0.30 0.00 -1.51 0.00 0.00 72.50 70.93 3fji s THR 34 CO 0.01 -0.30 1.21 0.54 -2.21 0.00 0.00 174.62 173.87 3fji n ARG 35 N 1.99 1.89 -2.81 7.08 1.74 -1.26 -1.19 116.66 124.10 3fji n ARG 35 Ca -0.20 -1.20 -0.43 0.00 -0.77 0.00 0.00 57.85 55.25 3fji n ARG 35 Cb 0.57 -1.34 -0.04 0.00 -1.02 0.00 0.00 32.46 30.63 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 -0.91 6.19 0.26 0.55 -1.08 -1.26 -4.85 116.67 115.57 3fji s ASP 36 Ca 0.22 -0.96 0.24 0.00 -0.52 0.00 0.00 52.55 51.54 3fji s ASP 36 Cb 0.12 -2.44 0.97 0.00 -1.46 0.00 0.00 42.92 40.12 3fji s ASP 36 CO 0.14 -1.49 1.73 -1.14 0.52 0.00 0.00 175.17 174.92 3fji n ARG 37 N 7.93 0.21 -0.91 4.34 0.63 -1.26 -2.27 116.66 125.33 3fji n ARG 37 Ca -0.01 0.41 0.07 0.00 -0.92 0.00 0.00 57.85 57.39 3fji n ARG 37 Cb 0.46 -1.88 0.41 0.00 0.45 0.00 0.00 32.46 31.90 3fji n ARG 37 CO 0.00 0.00 0.00 -1.13 -2.51 0.00 0.00 177.63 173.99 3fji n SER 38 N -2.27 5.74 -4.68 6.15 3.41 -1.26 -4.91 113.62 115.80 3fji n SER 38 Ca 0.02 -2.95 -0.40 0.00 -0.26 0.00 0.00 58.87 55.29 3fji n SER 38 Cb 0.25 -0.69 -0.05 0.00 -0.26 0.00 0.00 64.21 63.46 3fji n SER 38 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 3fji s ASP 39 N -0.80 6.80 0.00 4.04 -1.08 -0.96 -4.94 116.67 119.73 3fji s ASP 39 Ca 0.55 0.97 0.00 0.00 -0.52 0.00 0.00 52.55 53.55 3fji s ASP 39 Cb 0.42 -2.38 0.00 0.00 -1.46 0.00 0.00 42.92 39.50 3fji s ASP 39 CO 0.16 -0.23 0.72 0.00 0.52 0.00 0.00 175.17 176.34 3fji n GLN 40 N 4.64 0.92 -0.00 4.34 10.64 -1.26 -2.94 117.38 133.71 3fji n GLN 40 Ca -0.01 0.00 0.00 0.00 -1.83 0.00 0.00 57.00 55.16 3fji n GLN 40 Cb 0.50 -1.20 0.00 0.00 -0.86 0.00 0.00 30.24 28.68 3fji n GLN 40 CO 0.00 0.00 0.00 0.72 -1.83 0.00 0.00 177.06 175.95 3fji n HIS 41 N -0.26 0.00 0.80 2.61 8.25 -1.26 -4.53 115.22 120.83 3fji n HIS 41 Ca 0.00 -0.46 0.09 0.00 -0.26 0.00 0.00 57.72 57.09 3fji n HIS 41 Cb 0.10 -0.05 -0.02 0.00 1.12 0.00 0.00 29.99 31.14 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 -0.46 0.00 -2.75 1.59 -5.35 -1.15 -2.40 119.36 108.83 3fji n ILE 42 Ca 0.00 -0.26 -0.42 0.00 -0.27 0.00 0.00 62.75 61.79 3fji n ILE 42 Cb 0.23 1.16 -0.03 0.00 -1.74 0.00 0.00 39.64 39.26 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 -2.20 4.22 0.06 6.28 1.11 -1.26 -4.32 119.66 123.55 3fji s GLN 43 Ca 0.13 1.17 0.07 0.00 0.01 0.00 0.00 55.36 56.75 3fji s GLN 43 Cb 0.14 -3.65 -0.03 0.00 -1.01 0.00 0.00 33.01 28.47 3fji s GLN 43 CO 0.51 -0.60 -0.20 -0.51 0.01 0.00 0.00 175.29 174.50 3fji s LEU 44 N 3.07 2.21 -0.30 2.90 1.43 0.26 -2.94 118.68 125.31 3fji s LEU 44 Ca 0.40 -0.57 -0.05 0.00 -1.03 0.00 0.00 54.13 52.88 3fji s LEU 44 Cb -0.15 -0.93 0.03 0.00 0.03 0.00 0.00 46.19 45.17 3fji s LEU 44 CO 0.07 0.12 0.04 -1.58 0.23 0.00 0.00 176.35 175.23 3fji s GLN 45 N -1.41 2.74 0.00 1.70 2.00 0.18 0.17 119.66 125.04 3fji s GLN 45 Ca 0.07 -1.08 -0.14 0.00 -2.00 0.00 0.00 55.36 52.21 3fji s GLN 45 Cb -0.09 -3.28 -0.06 0.00 0.80 0.00 0.00 33.01 30.38 3fji s GLN 45 CO 0.03 -0.55 0.40 -0.51 -0.50 0.00 0.00 175.29 174.16 3fji s LEU 46 N 1.38 4.47 0.00 3.68 1.02 -1.26 -2.10 118.68 125.87 3fji s LEU 46 Ca -0.01 0.95 0.01 0.00 0.02 0.00 0.00 54.13 55.10 3fji s LEU 46 Cb -0.18 -2.59 -0.00 0.00 0.02 0.00 0.00 46.19 43.43 3fji s LEU 46 CO 0.00 0.32 -0.04 -0.94 0.02 0.00 0.00 176.35 175.72 3fji s SER 47 N -1.10 0.43 -0.36 2.29 1.04 -1.10 -4.50 113.70 110.39 3fji s SER 47 Ca 0.24 -0.11 -0.26 0.00 0.48 0.00 0.00 55.95 56.30 3fji s SER 47 Cb -0.17 -0.03 0.01 0.00 0.10 0.00 0.00 66.02 65.93 3fji s SER 47 CO 0.13 0.01 0.91 0.00 0.98 0.00 0.00 173.24 175.28 3fji s ALA 48 N -0.22 3.42 0.04 5.32 0.00 -1.26 -0.85 121.76 128.22 3fji s ALA 48 Ca -0.00 -0.44 -0.20 0.00 0.00 0.00 0.00 51.96 51.31 3fji s ALA 48 Cb -0.02 -3.51 -0.14 0.00 0.00 0.00 0.00 23.12 19.44 3fji s ALA 48 CO -0.00 -1.56 1.35 1.49 0.00 0.00 0.00 175.76 177.04 3fji h GLU 49 N 8.43 0.37 0.00 0.00 4.57 -0.41 -3.48 114.58 124.06 3fji h GLU 49 Ca -0.23 -0.20 -0.05 0.00 -1.18 0.00 0.00 59.36 57.71 3fji h GLU 49 Cb 1.08 0.01 0.00 0.00 -0.16 0.00 0.00 28.75 29.68 3fji h GLU 49 CO 0.97 0.75 0.23 -1.13 -1.18 0.00 0.00 179.01 178.65 3fji n SER 50 N -4.54 -2.14 -4.67 1.04 3.41 -1.17 -5.01 113.62 100.54 3fji n SER 50 Ca -0.06 -2.55 -0.46 0.00 -0.26 0.00 0.00 58.87 55.54 3fji n SER 50 Cb 0.37 3.58 -0.04 0.00 -0.26 0.00 0.00 64.21 67.85 3fji n SER 50 CO 0.00 0.00 0.00 1.33 -0.16 0.00 0.00 175.04 176.21 3fji n VAL 51 N -0.51 0.17 0.00 -3.33 0.24 -1.26 -1.01 118.33 112.63 3fji n VAL 51 Ca -0.08 -0.03 0.00 0.00 -2.04 0.00 0.00 64.34 62.19 3fji n VAL 51 Cb 0.57 -1.66 0.00 0.00 -1.47 0.00 0.00 33.84 31.28 3fji n VAL 51 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 3fji n GLY 52 N 3.71 2.40 3.60 7.63 0.00 -1.26 -4.99 105.19 116.28 3fji n GLY 52 Ca 0.18 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.86 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 0.00 3.52 0.27 1.61 2.02 -0.18 0.35 118.70 126.29 3fji s GLU 53 Ca 0.00 -0.44 0.02 0.00 0.02 0.00 0.00 54.97 54.58 3fji s GLU 53 Cb 0.00 -2.95 -0.04 0.00 0.10 0.00 0.00 34.13 31.24 3fji s GLU 53 CO 0.00 0.41 0.17 0.14 0.02 0.00 0.00 175.26 176.00 3fji s VAL 54 N -0.06 0.16 0.19 2.63 -7.23 -0.30 0.35 120.40 116.14 3fji s VAL 54 Ca 0.04 -2.00 0.10 0.00 -1.81 0.00 0.00 61.98 58.31 3fji s VAL 54 Cb -0.13 -2.52 -0.04 0.00 0.56 0.00 0.00 36.38 34.25 3fji s VAL 54 CO 0.02 0.00 -0.22 -0.31 -0.31 0.00 0.00 175.10 174.28 3fji s TYR 55 N -3.79 2.12 -0.22 2.82 2.02 -0.03 -2.20 117.35 118.07 3fji s TYR 55 Ca 0.38 -0.40 -0.01 0.00 -0.37 0.00 0.00 57.07 56.67 3fji s TYR 55 Cb 0.05 -1.04 0.06 0.00 -0.40 0.00 0.00 41.96 40.64 3fji s TYR 55 CO 0.17 0.45 0.01 0.42 -1.57 0.00 0.00 175.55 175.04 3fji s ILE 56 N -1.88 0.94 0.02 2.71 1.01 -1.26 -2.73 121.20 120.01 3fji s ILE 56 Ca 0.20 -0.89 0.08 0.00 0.00 0.00 0.00 60.65 60.03 3fji s ILE 56 Cb -0.07 -1.38 -0.03 0.00 0.01 0.00 0.00 42.46 40.99 3fji s ILE 56 CO 0.09 -0.21 -0.23 -0.75 0.00 0.00 0.00 174.94 173.83 3fji s LYS 57 N 1.66 2.00 -0.04 2.79 2.20 -0.89 -0.34 119.74 127.11 3fji s LYS 57 Ca -0.02 -1.00 -0.26 0.00 -0.36 0.00 0.00 55.97 54.33 3fji s LYS 57 Cb -0.18 -2.08 -0.03 0.00 -1.51 0.00 0.00 37.83 34.03 3fji s LYS 57 CO -0.09 0.54 0.82 0.45 -0.36 0.00 0.00 175.35 176.71 3fji s SER 58 N -1.08 7.14 0.48 1.43 0.15 0.73 0.49 113.70 123.04 3fji s SER 58 Ca 0.12 1.38 0.27 0.00 0.70 0.00 0.00 55.95 58.42 3fji s SER 58 Cb -0.10 -2.48 0.88 0.00 -1.71 0.00 0.00 66.02 62.62 3fji s SER 58 CO 0.02 -0.18 1.80 0.71 1.20 0.00 0.00 173.24 176.79 3fji h THR 59 N 4.79 0.19 0.01 6.45 1.35 -1.87 0.27 112.91 124.09 3fji h THR 59 Ca -0.41 -0.91 -0.00 0.00 -0.55 0.00 0.00 66.41 64.54 3fji h THR 59 Cb 1.20 1.77 0.00 0.00 -1.73 0.00 0.00 68.15 69.40 3fji h THR 59 CO 0.75 0.08 -0.00 -0.08 -0.25 0.00 0.00 175.52 176.03 3fji h GLU 60 N 0.00 -0.01 0.00 4.72 4.57 -1.80 -3.39 114.58 118.67 3fji h GLU 60 Ca -0.00 0.00 0.00 0.00 -1.18 0.00 0.00 59.36 58.18 3fji h GLU 60 Cb 0.77 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 29.36 3fji h GLU 60 CO 0.01 0.81 -0.68 0.25 -1.18 0.00 0.00 179.01 178.23 3fji n THR 61 N -4.66 0.00 -1.18 0.32 -2.24 -1.25 -5.00 114.28 100.26 3fji n THR 61 Ca -0.09 -0.19 -0.06 0.00 -2.27 0.00 0.00 64.05 61.44 3fji n THR 61 Cb 0.40 0.96 -0.03 0.00 -2.10 0.00 0.00 70.33 69.56 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 1.33 0.84 3.88 3.38 0.00 0.95 -5.00 105.19 110.58 3fji n GLY 62 Ca 0.02 -0.78 -0.30 0.00 0.00 0.00 0.00 46.02 44.96 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 -2.53 3.76 -0.07 1.61 -0.21 -1.25 -4.73 119.66 116.23 3fji s GLN 63 Ca 0.00 0.40 -0.03 0.00 0.02 0.00 0.00 55.36 55.75 3fji s GLN 63 Cb 0.00 -2.42 -0.04 0.00 1.00 0.00 0.00 33.01 31.55 3fji s GLN 63 CO 0.00 -0.01 0.08 0.71 -2.12 0.00 0.00 175.29 173.96 3fji s TYR 64 N -2.34 3.37 0.30 0.91 1.51 0.30 -0.19 117.35 121.22 3fji s TYR 64 Ca 0.50 0.32 -0.28 0.00 -1.01 0.00 0.00 57.07 56.60 3fji s TYR 64 Cb -0.10 -1.83 -0.09 0.00 -0.11 0.00 0.00 41.96 39.82 3fji s TYR 64 CO 0.31 0.60 1.04 -1.17 -1.11 0.00 0.00 175.55 175.22 3fji s LEU 65 N -1.24 4.47 0.05 -1.29 2.96 0.53 0.36 118.68 124.52 3fji s LEU 65 Ca 0.17 2.11 -0.17 0.00 -0.22 0.00 0.00 54.13 56.02 3fji s LEU 65 Cb -0.12 -3.78 0.03 0.00 0.50 0.00 0.00 46.19 42.83 3fji s LEU 65 CO 0.07 -0.14 0.39 0.00 -1.32 0.00 0.00 176.35 175.35 3fji s ALA 66 N -1.31 -0.93 -0.12 5.97 0.00 -0.62 -4.44 121.76 120.31 3fji s ALA 66 Ca 0.47 0.21 0.02 0.00 0.00 0.00 0.00 51.96 52.66 3fji s ALA 66 Cb -0.27 0.36 0.02 0.00 0.00 0.00 0.00 23.12 23.23 3fji s ALA 66 CO 0.35 -0.46 -0.16 1.41 0.00 0.00 0.00 175.76 176.90 3fji s MET 67 N -2.59 2.32 0.66 0.00 1.75 -1.12 -0.97 119.30 119.35 3fji s MET 67 Ca -0.05 -0.59 -0.10 0.00 -1.25 0.00 0.00 55.69 53.70 3fji s MET 67 Cb -0.01 -1.98 0.00 0.00 2.84 0.00 0.00 34.83 35.69 3fji s MET 67 CO -0.03 -0.08 1.04 0.16 -0.65 0.00 0.00 175.02 175.46 3fji s ASP 68 N 1.04 5.65 0.00 1.11 1.47 -0.69 -4.85 116.67 120.39 3fji s ASP 68 Ca -0.05 1.11 0.00 0.00 1.18 0.00 0.00 52.55 54.79 3fji s ASP 68 Cb -0.15 -2.01 0.00 0.00 -0.34 0.00 0.00 42.92 40.43 3fji s ASP 68 CO -0.03 -1.18 0.76 1.07 0.68 0.00 0.00 175.17 176.47 3fji n THR 69 N -2.86 1.05 0.89 2.11 5.66 -1.26 0.13 114.28 120.00 3fji n THR 69 Ca 0.06 0.48 0.09 0.00 -3.05 0.00 0.00 64.05 61.64 3fji n THR 69 Cb 0.57 -1.48 -0.06 0.00 -1.55 0.00 0.00 70.33 67.81 3fji n THR 69 CO 0.00 0.00 0.00 0.47 -3.05 0.00 0.00 175.07 172.49 3fji n ASP 70 N -1.26 1.38 0.00 1.09 8.00 -1.26 -4.97 116.55 119.54 3fji n ASP 70 Ca 0.00 -1.19 0.00 0.00 0.71 0.00 0.00 54.79 54.31 3fji n ASP 70 Cb 0.22 0.74 0.00 0.00 -0.02 0.00 0.00 41.12 42.06 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 1.38 0.78 3.76 0.44 0.00 0.35 -4.73 105.19 107.16 3fji n GLY 71 Ca 0.06 0.00 -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 0.36 0.99 1.43 -1.25 -0.34 118.68 124.19 3fji s LEU 72 Ca 0.00 0.73 -0.22 0.00 -1.03 0.00 0.00 54.13 53.61 3fji s LEU 72 Cb 0.00 -2.52 -0.10 0.00 0.03 0.00 0.00 46.19 43.59 3fji s LEU 72 CO 0.00 0.14 0.91 -0.76 0.23 0.00 0.00 176.35 176.87 3fji s LEU 73 N 0.05 4.14 0.18 1.79 1.43 -1.26 -1.71 118.68 123.29 3fji s LEU 73 Ca 0.21 1.69 -0.21 0.00 -1.03 0.00 0.00 54.13 54.80 3fji s LEU 73 Cb -0.15 -4.22 0.05 0.00 0.03 0.00 0.00 46.19 41.90 3fji s LEU 73 CO 0.08 -0.20 0.57 -0.72 0.23 0.00 0.00 176.35 176.32 3fji s TYR 74 N -1.89 -0.36 0.04 0.29 1.13 -0.15 -4.53 117.35 111.89 3fji s TYR 74 Ca 0.55 0.07 -0.25 0.00 -1.41 0.00 0.00 57.07 56.04 3fji s TYR 74 Cb -0.13 0.50 -0.05 0.00 -1.10 0.00 0.00 41.96 41.17 3fji s TYR 74 CO 0.18 -0.90 0.77 0.20 -2.51 0.00 0.00 175.55 173.29 3fji s GLY 75 N -2.81 2.79 -0.03 5.49 0.00 0.12 -1.59 107.32 111.29 3fji s GLY 75 Ca 0.04 0.28 0.06 0.00 0.00 0.00 0.00 44.72 45.11 3fji s GLY 75 CO -0.08 1.10 -0.22 -0.45 0.00 0.00 0.00 173.10 173.45 3fji s SER 76 N -0.04 2.60 0.00 1.64 0.15 0.16 -4.81 113.70 113.40 3fji s SER 76 Ca 0.39 -0.41 0.23 0.00 0.70 0.00 0.00 55.95 56.85 3fji s SER 76 Cb -0.20 -0.44 0.35 0.00 -1.71 0.00 0.00 66.02 64.01 3fji s SER 76 CO 0.23 0.25 1.34 0.00 1.20 0.00 0.00 173.24 176.26 3fji n GLN 77 N 2.71 2.41 -5.00 5.44 1.13 -1.26 0.11 117.38 122.92 3fji n GLN 77 Ca -0.16 -2.16 -0.29 0.00 -1.94 0.00 0.00 57.00 52.45 3fji n GLN 77 Cb 0.52 -1.49 -0.16 0.00 0.11 0.00 0.00 30.24 29.22 3fji n GLN 77 CO 0.00 0.00 0.00 0.95 -1.44 0.00 0.00 177.06 176.57 3fji s THR 78 N -1.60 1.69 -1.20 5.09 -4.23 -1.26 -5.00 115.64 109.14 3fji s THR 78 Ca 0.35 -0.85 -0.20 0.00 -1.18 0.00 0.00 61.69 59.81 3fji s THR 78 Cb 0.21 -1.46 0.07 0.00 1.34 0.00 0.00 72.50 72.66 3fji s THR 78 CO 0.30 0.48 1.63 -2.16 -0.54 0.00 0.00 174.62 174.33 3fji s PRO 79 N 0.11 3.85 0.50 3.99 0.04 -1.26 -4.92 135.00 137.31 3fji s PRO 79 Ca -0.08 -1.70 0.08 0.00 0.04 0.00 0.00 61.00 59.34 3fji s PRO 79 Cb -0.14 -5.47 0.08 0.00 0.04 0.00 0.00 34.50 29.02 3fji s PRO 79 CO 0.04 -2.23 0.67 0.27 0.04 0.00 0.00 177.00 175.79 3fji n ASN 80 N 8.51 1.90 0.00 6.66 0.23 -1.26 -4.97 115.26 126.33 3fji n ASN 80 Ca 0.43 -2.37 0.06 0.00 -0.53 0.00 0.00 54.58 52.17 3fji n ASN 80 Cb 0.48 -0.34 0.35 0.00 -2.08 0.00 0.00 39.78 38.18 3fji n ASN 80 CO 0.00 0.00 0.00 -1.84 -0.93 0.00 0.00 177.26 174.49 3fji n GLU 81 N -2.06 0.29 -0.06 -3.83 0.28 -1.26 -2.72 120.64 111.28 3fji n GLU 81 Ca 0.13 0.09 0.12 0.00 -0.16 0.00 0.00 57.16 57.34 3fji n GLU 81 Cb 0.52 -1.50 0.29 0.00 1.43 0.00 0.00 31.44 32.19 3fji n GLU 81 CO 0.00 0.00 0.00 0.39 -0.16 0.00 0.00 177.13 177.36 3fji n GLU 82 N -1.15 2.07 0.00 3.44 1.02 -1.26 -4.08 120.64 120.69 3fji n GLU 82 Ca 0.08 -1.58 0.11 0.00 -0.02 0.00 0.00 57.16 55.75 3fji n GLU 82 Cb 0.07 -1.46 0.10 0.00 -0.02 0.00 0.00 31.44 30.13 3fji n GLU 82 CO 0.00 0.00 0.00 0.44 1.18 0.00 0.00 177.13 178.75 3fji n ILE 83 N 0.86 0.00 -2.63 -3.67 -5.35 -1.10 -2.77 119.36 104.70 3fji n ILE 83 Ca 0.17 -0.10 -0.42 0.00 -0.27 0.00 0.00 62.75 62.12 3fji n ILE 83 Cb 0.48 0.79 -0.03 0.00 -1.74 0.00 0.00 39.64 39.14 3fji n ILE 83 CO 0.00 0.00 0.00 -0.76 -1.76 0.00 0.00 176.55 174.03 3fji s LEU 84 N -2.74 4.37 -0.00 7.28 1.43 -1.26 -4.50 118.68 123.25 3fji s LEU 84 Ca 0.15 1.75 0.04 0.00 -1.03 0.00 0.00 54.13 55.05 3fji s LEU 84 Cb 0.18 -3.57 -0.01 0.00 0.03 0.00 0.00 46.19 42.81 3fji s LEU 84 CO 0.67 -0.32 -0.13 -0.36 0.23 0.00 0.00 176.35 176.43 3fji s PHE 85 N 1.07 1.19 -0.55 0.29 0.08 -0.94 -1.50 117.98 117.62 3fji s PHE 85 Ca 0.54 -0.24 -0.23 0.00 0.12 0.00 0.00 56.93 57.11 3fji s PHE 85 Cb -0.23 -0.76 0.05 0.00 -0.57 0.00 0.00 43.02 41.51 3fji s PHE 85 CO 0.28 -0.01 0.90 -0.51 -0.10 0.00 0.00 175.22 175.77 3fji s LEU 86 N -0.43 4.26 -0.09 -0.37 1.43 0.94 -1.15 118.68 123.27 3fji s LEU 86 Ca 0.05 -0.50 -0.29 0.00 -1.03 0.00 0.00 54.13 52.36 3fji s LEU 86 Cb -0.05 -2.73 -0.02 0.00 0.03 0.00 0.00 46.19 43.42 3fji s LEU 86 CO -0.00 -1.20 0.98 -0.70 0.23 0.00 0.00 176.35 175.66 3fji s GLU 87 N 3.76 4.44 -0.01 1.70 2.12 0.15 -2.14 118.70 128.72 3fji s GLU 87 Ca 0.27 1.35 -0.01 0.00 0.36 0.00 0.00 54.97 56.94 3fji s GLU 87 Cb -0.14 -3.53 0.01 0.00 0.26 0.00 0.00 34.13 30.74 3fji s GLU 87 CO 0.17 -0.25 0.03 1.03 -0.54 0.00 0.00 175.26 175.70 3fji s ARG 88 N 1.79 0.01 0.57 4.30 1.81 -0.32 -4.67 118.95 122.44 3fji s ARG 88 Ca 0.48 0.09 -0.20 0.00 -1.72 0.00 0.00 55.73 54.38 3fji s ARG 88 Cb -0.19 -0.07 -0.04 0.00 -0.45 0.00 0.00 34.95 34.20 3fji s ARG 88 CO 0.19 -0.06 1.25 -1.17 -0.68 0.00 0.00 175.30 174.84 3fji s LEU 89 N 0.37 3.75 -0.07 2.53 2.96 -0.46 0.31 118.68 128.06 3fji s LEU 89 Ca -0.03 2.51 -0.09 0.00 -0.22 0.00 0.00 54.13 56.30 3fji s LEU 89 Cb -0.04 -4.47 0.02 0.00 0.50 0.00 0.00 46.19 42.20 3fji s LEU 89 CO -0.01 -1.56 0.24 -0.70 -1.32 0.00 0.00 176.35 173.00 3fji s GLU 90 N -3.14 0.34 -1.52 1.98 2.56 0.11 -4.78 118.70 114.24 3fji s GLU 90 Ca 0.75 0.21 0.00 0.00 0.00 0.00 0.00 54.97 55.93 3fji s GLU 90 Cb -0.34 0.16 0.00 0.00 2.00 0.00 0.00 34.13 35.95 3fji s GLU 90 CO 0.38 -0.06 0.00 0.39 -0.56 0.00 0.00 175.26 175.41 3fji n GLU 91 N 2.65 -1.72 -0.40 4.30 -0.58 -1.26 -1.03 120.64 122.59 3fji n GLU 91 Ca -0.15 0.86 0.00 0.00 -0.42 0.00 0.00 57.16 57.45 3fji n GLU 91 Cb 0.58 -5.35 0.00 0.00 -0.57 0.00 0.00 31.44 26.10 3fji n GLU 91 CO 0.00 0.00 0.00 0.09 -0.48 0.00 0.00 177.13 176.74 3fji n ASN 92 N -1.45 0.00 0.00 1.62 4.13 -1.26 -4.59 115.26 113.70 3fji n ASN 92 Ca -0.18 0.00 0.00 0.00 1.68 0.00 0.00 54.58 56.08 3fji n ASN 92 Cb 0.60 -1.03 0.00 0.00 -1.54 0.00 0.00 39.78 37.81 3fji n ASN 92 CO 0.00 0.00 0.00 1.41 0.28 0.00 0.00 177.26 178.95 3fji n HIS 93 N -2.00 0.00 -2.56 3.10 8.25 -0.75 -5.11 115.22 116.15 3fji n HIS 93 Ca 0.00 0.00 -0.22 0.00 -0.26 0.00 0.00 57.72 57.24 3fji n HIS 93 Cb 0.00 0.00 0.05 0.00 1.12 0.00 0.00 29.99 31.16 3fji n HIS 93 CO 0.00 0.00 0.00 0.71 0.64 0.00 0.00 176.34 177.69 3fji s TYR 94 N -0.73 2.69 -0.06 4.41 1.51 -0.20 -4.87 117.35 120.11 3fji s TYR 94 Ca 0.00 0.02 0.04 0.00 -1.01 0.00 0.00 57.07 56.13 3fji s TYR 94 Cb 0.00 -2.86 -0.02 0.00 -0.11 0.00 0.00 41.96 38.97 3fji s TYR 94 CO 0.00 -1.08 -0.18 -0.80 -1.11 0.00 0.00 175.55 172.38 3fji s ASN 95 N -4.48 3.70 0.15 2.29 -0.87 -0.09 0.05 114.94 115.68 3fji s ASN 95 Ca 0.59 -0.31 0.08 0.00 -1.57 0.00 0.00 52.86 51.65 3fji s ASN 95 Cb -0.10 -0.85 -0.04 0.00 -0.02 0.00 0.00 41.25 40.24 3fji s ASN 95 CO 0.40 0.30 -0.17 0.42 -2.57 0.00 0.00 177.10 175.48 3fji s THR 96 N -0.49 1.65 -0.12 1.60 -4.23 0.15 -1.31 115.64 112.89 3fji s THR 96 Ca 0.06 -1.82 0.00 0.00 -1.18 0.00 0.00 61.69 58.75 3fji s THR 96 Cb -0.12 -1.72 0.02 0.00 1.34 0.00 0.00 72.50 72.03 3fji s THR 96 CO 0.01 -0.32 -0.11 -0.31 -0.54 0.00 0.00 174.62 173.35 3fji s TYR 97 N -2.00 1.76 -0.19 3.99 2.02 -1.26 -1.17 117.35 120.51 3fji s TYR 97 Ca 0.13 -0.91 -0.05 0.00 -0.37 0.00 0.00 57.07 55.87 3fji s TYR 97 Cb -0.06 -1.37 -0.03 0.00 -0.40 0.00 0.00 41.96 40.11 3fji s TYR 97 CO 0.05 -0.55 0.00 0.42 -1.57 0.00 0.00 175.55 173.90 3fji s ILE 98 N 1.50 4.07 -0.16 2.71 1.01 -0.91 -0.79 121.20 128.64 3fji s ILE 98 Ca 0.03 -0.28 -0.36 0.00 0.00 0.00 0.00 60.65 60.03 3fji s ILE 98 Cb -0.13 -2.82 -0.13 0.00 0.01 0.00 0.00 42.46 39.38 3fji s ILE 98 CO -0.08 0.45 1.83 -0.24 0.00 0.00 0.00 174.94 176.90 3fji n SER 99 N 3.96 3.07 0.13 3.58 2.88 -0.09 -0.04 113.62 127.10 3fji n SER 99 Ca -0.17 1.01 -0.14 0.00 -1.33 0.00 0.00 58.87 58.24 3fji n SER 99 Cb 0.52 -1.29 -0.08 0.00 -0.75 0.00 0.00 64.21 62.62 3fji n SER 99 CO 0.00 0.00 0.00 0.50 -1.23 0.00 0.00 175.04 174.31 3fji h LYS 100 N 8.49 -0.24 -0.81 -1.46 3.64 -1.60 0.40 116.57 125.01 3fji h LYS 100 Ca -0.48 0.02 0.11 0.00 -1.27 0.00 0.00 60.65 59.03 3fji h LYS 100 Cb 1.29 0.05 -0.06 0.00 -0.41 0.00 0.00 32.23 33.11 3fji h LYS 100 CO 0.95 -0.14 0.53 -0.22 -2.27 0.00 0.00 179.45 178.30 3fji h LYS 101 N -0.26 0.65 -0.51 1.90 3.64 -1.79 -1.55 116.57 118.64 3fji h LYS 101 Ca -0.03 -0.04 -0.21 0.00 -1.27 0.00 0.00 60.65 59.10 3fji h LYS 101 Cb 0.20 -0.15 -0.13 0.00 -0.41 0.00 0.00 32.23 31.75 3fji h LYS 101 CO 0.04 0.43 0.12 0.72 -2.27 0.00 0.00 179.45 178.49 3fji n HIS 102 N -4.51 1.62 -0.14 1.91 8.25 -0.92 -4.72 115.22 116.69 3fji n HIS 102 Ca 0.14 -1.46 -0.04 0.00 -0.26 0.00 0.00 57.72 56.11 3fji n HIS 102 Cb 0.39 -0.57 0.05 0.00 1.12 0.00 0.00 29.99 30.97 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 1.38 0.54 0.00 -1.41 0.00 0.87 -1.62 119.26 119.02 3fji h ALA 103 Ca 0.26 0.06 0.00 0.00 0.00 0.00 0.00 54.91 55.24 3fji h ALA 103 Cb 1.94 0.04 0.00 0.00 0.00 0.00 0.00 17.79 19.77 3fji h ALA 103 CO 0.54 -0.24 0.00 -0.85 0.00 0.00 0.00 179.25 178.70 3fji n GLU 104 N -5.02 0.03 0.00 0.00 0.00 -1.26 -0.38 120.64 114.01 3fji n GLU 104 Ca 0.04 0.27 0.04 0.00 0.00 0.00 0.00 57.16 57.51 3fji n GLU 104 Cb 0.18 -1.50 0.03 0.00 0.00 0.00 0.00 31.44 30.15 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 -1.29 0.21 -3.48 3.44 5.02 -0.62 -5.02 118.16 116.43 3fji n LYS 105 Ca 0.01 -0.96 -0.18 0.00 -2.02 0.00 0.00 58.31 55.16 3fji n LYS 105 Cb 0.02 -1.15 0.07 0.00 -0.02 0.00 0.00 35.03 33.95 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 0.42 -2.89 -4.38 4.39 4.13 0.48 -4.90 115.26 112.52 3fji n ASN 106 Ca 0.05 -0.71 -0.45 0.00 1.68 0.00 0.00 54.58 55.15 3fji n ASN 106 Cb 0.20 -4.79 -0.05 0.00 -1.54 0.00 0.00 39.78 33.60 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 -3.45 3.06 0.54 3.10 0.52 -1.23 -4.57 118.94 116.91 3fji s TRP 107 Ca 0.11 -0.93 0.01 0.00 0.02 0.00 0.00 56.10 55.32 3fji s TRP 107 Cb -0.02 -3.84 0.03 0.00 -1.15 0.00 0.00 33.47 28.49 3fji s TRP 107 CO 0.76 -1.18 0.76 -0.06 0.02 0.00 0.00 176.95 177.26 3fji s PHE 108 N 2.45 2.91 -0.28 -1.98 0.40 -1.26 -0.91 117.98 119.31 3fji s PHE 108 Ca 0.10 0.03 -0.23 0.00 -0.60 0.00 0.00 56.93 56.23 3fji s PHE 108 Cb -0.24 -2.70 -0.00 0.00 0.51 0.00 0.00 43.02 40.58 3fji s PHE 108 CO 0.07 -0.81 0.78 0.08 0.70 0.00 0.00 175.22 176.04 3fji s VAL 109 N -2.74 4.83 -0.00 -0.44 1.01 0.03 -4.59 120.40 118.50 3fji s VAL 109 Ca 0.56 1.30 -0.06 0.00 0.00 0.00 0.00 61.98 63.79 3fji s VAL 109 Cb -0.10 -4.11 -0.00 0.00 0.00 0.00 0.00 36.38 32.16 3fji s VAL 109 CO 0.38 -0.16 0.11 -0.83 0.00 0.00 0.00 175.10 174.60 3fji s GLY 110 N 1.51 0.06 -0.07 4.51 0.00 -1.26 -4.47 107.32 107.60 3fji s GLY 110 Ca 0.32 -0.15 0.05 0.00 0.00 0.00 0.00 44.72 44.94 3fji s GLY 110 CO 0.10 -0.27 -0.23 1.08 0.00 0.00 0.00 173.10 173.79 3fji s LEU 111 N -1.21 2.03 0.68 0.66 1.43 -1.11 -0.72 118.68 120.45 3fji s LEU 111 Ca -0.13 -0.50 -0.11 0.00 -1.03 0.00 0.00 54.13 52.36 3fji s LEU 111 Cb -0.07 -1.31 -0.00 0.00 0.03 0.00 0.00 46.19 44.84 3fji s LEU 111 CO 0.01 0.20 1.06 -0.54 0.23 0.00 0.00 176.35 177.30 3fji s LYS 112 N 0.06 3.05 0.56 1.70 1.02 0.11 -4.47 119.74 121.78 3fji s LYS 112 Ca -0.09 0.77 0.27 0.00 0.02 0.00 0.00 55.97 56.94 3fji s LYS 112 Cb -0.15 -2.02 1.47 0.00 -0.52 0.00 0.00 37.83 36.61 3fji s LYS 112 CO 0.05 -0.97 1.98 0.87 -0.92 0.00 0.00 175.35 176.36 3fji h LYS 113 N -0.62 0.00 -0.00 1.68 1.57 -1.87 0.59 116.57 117.92 3fji h LYS 113 Ca -0.44 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.34 3fji h LYS 113 Cb 1.22 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.53 3fji h LYS 113 CO 0.60 0.00 -0.04 0.27 -0.57 0.00 0.00 179.45 179.71 3fji n ASN 114 N -4.09 0.36 0.00 0.86 0.23 -1.26 -4.72 115.26 106.63 3fji n ASN 114 Ca 0.09 -0.73 0.00 0.00 -0.53 0.00 0.00 54.58 53.41 3fji n ASN 114 Cb 0.61 -0.08 0.00 0.00 -2.08 0.00 0.00 39.78 38.23 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 1.18 0.71 3.92 4.83 0.00 0.20 -5.00 105.19 111.03 3fji n GLY 115 Ca 0.18 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.92 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 -2.64 6.40 0.20 1.61 1.04 -1.26 -0.74 113.70 118.30 3fji s SER 116 Ca 0.00 0.46 -0.30 0.00 0.48 0.00 0.00 55.95 56.59 3fji s SER 116 Cb 0.00 -2.04 -0.08 0.00 0.10 0.00 0.00 66.02 64.00 3fji s SER 116 CO 0.00 -0.06 1.06 -0.69 0.98 0.00 0.00 173.24 174.53 3fji s VAL 117 N -1.89 3.89 -0.12 5.02 1.01 -1.26 0.09 120.40 127.14 3fji s VAL 117 Ca 0.39 1.71 -0.21 0.00 0.00 0.00 0.00 61.98 63.87 3fji s VAL 117 Cb -0.11 -4.09 -0.03 0.00 0.00 0.00 0.00 36.38 32.15 3fji s VAL 117 CO 0.29 0.33 0.62 -0.54 0.00 0.00 0.00 175.10 175.79 3fji s LYS 118 N -0.64 4.35 0.43 2.72 1.02 0.10 -4.85 119.74 122.87 3fji s LYS 118 Ca 0.47 0.69 -0.26 0.00 0.02 0.00 0.00 55.97 56.89 3fji s LYS 118 Cb -0.29 -3.48 -0.08 0.00 -0.52 0.00 0.00 37.83 33.46 3fji s LYS 118 CO 0.35 0.01 1.34 0.50 -0.92 0.00 0.00 175.35 176.63 3fji s ARG 119 N 1.06 3.84 0.03 1.68 3.52 -1.26 -4.41 118.95 123.41 3fji s ARG 119 Ca 0.32 2.24 -0.06 0.00 -0.13 0.00 0.00 55.73 58.09 3fji s ARG 119 Cb -0.16 -2.70 -0.01 0.00 -1.56 0.00 0.00 34.95 30.51 3fji s ARG 119 CO 0.14 -0.63 0.97 0.41 -0.81 0.00 0.00 175.30 175.37 3fji n GLY 120 N 0.63 -2.57 0.52 8.12 0.00 0.54 -0.99 105.19 111.44 3fji n GLY 120 Ca 0.04 0.63 0.38 0.00 0.00 0.00 0.00 46.02 47.08 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 0.09 0.00 1.61 0.11 -1.88 0.31 132.00 132.24 3fji h PRO 121 Ca 0.03 -0.01 -0.15 0.00 0.11 0.00 0.00 66.00 65.99 3fji h PRO 121 Cb 0.09 -0.02 -0.02 0.00 0.11 0.00 0.00 31.00 31.15 3fji h PRO 121 CO -0.20 0.06 -0.71 0.00 -0.21 0.00 0.00 178.00 176.94 3fji h ARG 122 N 0.09 0.00 -7.39 1.05 2.47 -1.42 -3.45 114.38 105.73 3fji h ARG 122 Ca 0.77 0.00 -0.48 0.00 -1.26 0.00 0.00 59.98 59.02 3fji h ARG 122 Cb 2.64 0.00 0.13 0.00 -1.65 0.00 0.00 29.97 31.09 3fji h ARG 122 CO -0.25 0.71 0.29 0.95 0.56 0.00 0.00 179.97 182.23 3fji s THR 123 N -3.02 2.69 0.00 2.04 -4.23 0.11 -5.03 115.64 108.19 3fji s THR 123 Ca 0.02 0.22 0.00 0.00 -1.18 0.00 0.00 61.69 60.75 3fji s THR 123 Cb 0.10 -2.85 0.00 0.00 1.34 0.00 0.00 72.50 71.09 3fji s THR 123 CO 0.77 -0.29 0.00 0.00 -0.54 0.00 0.00 174.62 174.56 3fji n HIS 124 N -3.71 0.00 -1.69 3.99 1.44 -1.26 -4.84 115.22 109.14 3fji n HIS 124 Ca 0.07 0.00 -0.43 0.00 -2.01 0.00 0.00 57.72 55.35 3fji n HIS 124 Cb 0.56 0.00 -0.01 0.00 0.12 0.00 0.00 29.99 30.66 3fji n HIS 124 CO 0.00 0.00 0.00 0.66 -2.81 0.00 0.00 176.34 174.19 3fji n TYR 125 N -0.02 2.26 0.00 -1.40 4.01 -1.26 -2.89 117.16 117.86 3fji n TYR 125 Ca 0.00 0.54 0.00 0.00 -0.16 0.00 0.00 57.90 58.28 3fji n TYR 125 Cb 0.00 -2.42 0.00 0.00 -0.31 0.00 0.00 39.34 36.61 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 0.97 1.61 3.83 2.72 0.00 -1.26 -5.07 105.19 107.98 3fji n GLY 126 Ca 0.06 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.71 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 -0.87 4.11 0.51 1.61 -0.21 -1.14 -4.96 119.66 118.70 3fji s GLN 127 Ca 0.00 0.64 0.30 0.00 0.02 0.00 0.00 55.36 56.32 3fji s GLN 127 Cb 0.00 -3.07 1.26 0.00 1.00 0.00 0.00 33.01 32.20 3fji s GLN 127 CO 0.00 0.55 1.96 0.87 -2.12 0.00 0.00 175.29 176.54 3fji h LYS 128 N 4.02 0.00 -0.05 2.91 1.57 -1.97 -2.74 116.57 120.31 3fji h LYS 128 Ca -0.49 0.00 0.01 0.00 -1.87 0.00 0.00 60.65 58.30 3fji h LYS 128 Cb 1.20 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 33.51 3fji h LYS 128 CO 0.64 0.10 0.05 0.00 -0.57 0.00 0.00 179.45 179.68 3fji h ALA 129 N 1.90 1.61 -0.18 3.86 0.00 -1.93 -1.26 119.26 123.25 3fji h ALA 129 Ca -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 3fji h ALA 129 Cb 0.55 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.34 3fji h ALA 129 CO 0.01 -0.07 0.00 0.44 0.00 0.00 0.00 179.25 179.63 3fji n ILE 130 N -3.85 0.22 -3.38 0.00 -5.35 -1.03 -2.75 119.36 103.22 3fji n ILE 130 Ca -0.02 -0.39 -0.38 0.00 -0.27 0.00 0.00 62.75 61.69 3fji n ILE 130 Cb 0.14 0.49 -0.07 0.00 -1.74 0.00 0.00 39.64 38.47 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 -1.60 4.24 0.13 7.28 1.43 -0.48 -4.28 118.68 125.39 3fji s LEU 131 Ca 0.33 0.67 0.05 0.00 -1.03 0.00 0.00 54.13 54.15 3fji s LEU 131 Cb 0.18 -2.57 -0.04 0.00 0.03 0.00 0.00 46.19 43.79 3fji s LEU 131 CO 0.28 0.00 -0.13 -0.36 0.23 0.00 0.00 176.35 176.37 3fji s PHE 132 N 0.77 1.32 -0.14 0.29 0.40 -0.43 -2.21 117.98 117.99 3fji s PHE 132 Ca 0.22 -0.61 -0.04 0.00 -0.60 0.00 0.00 56.93 55.90 3fji s PHE 132 Cb -0.14 -0.69 0.06 0.00 0.51 0.00 0.00 43.02 42.76 3fji s PHE 132 CO 0.08 0.11 0.15 -1.17 0.70 0.00 0.00 175.22 175.09 3fji s LEU 133 N -2.62 0.05 -0.43 -0.37 2.96 0.14 -0.91 118.68 117.49 3fji s LEU 133 Ca 0.10 -0.10 -0.29 0.00 -0.22 0.00 0.00 54.13 53.63 3fji s LEU 133 Cb -0.03 0.13 0.01 0.00 0.50 0.00 0.00 46.19 46.79 3fji s LEU 133 CO 0.02 -0.30 1.47 -2.16 -1.32 0.00 0.00 176.35 174.06 3fji s PRO 134 N 2.25 3.47 -0.02 0.98 0.04 -1.26 -2.13 135.00 138.34 3fji s PRO 134 Ca 0.04 0.90 -0.05 0.00 0.04 0.00 0.00 61.00 61.93 3fji s PRO 134 Cb -0.14 -4.07 -0.04 0.00 0.04 0.00 0.00 34.50 30.29 3fji s PRO 134 CO -0.08 -1.69 0.21 -0.51 0.04 0.00 0.00 177.00 174.96 3fji s LEU 135 N 5.80 4.37 0.95 -3.56 1.43 -0.70 -4.87 118.68 122.10 3fji s LEU 135 Ca 0.62 0.44 -0.12 0.00 -1.03 0.00 0.00 54.13 54.04 3fji s LEU 135 Cb -0.14 -2.56 0.05 0.00 0.03 0.00 0.00 46.19 43.57 3fji s LEU 135 CO 0.31 0.28 0.51 -2.65 0.23 0.00 0.00 176.35 175.03 3fji n PRO 136 N 1.16 -0.32 0.00 1.29 -0.02 -1.26 -1.47 135.00 134.37 3fji n PRO 136 Ca -0.12 -0.05 0.12 0.00 -2.02 0.00 0.00 63.50 61.43 3fji n PRO 136 Cb 0.53 -1.93 0.11 0.00 -0.02 0.00 0.00 33.50 32.19 3fji n PRO 136 CO 0.00 0.00 0.00 1.33 1.98 0.00 0.00 175.50 178.81