#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3fjd n PHE 1 N 0.00 1.74 -2.71 -1.40 7.35 -1.26 -5.01 117.46 116.16 3fjd n PHE 1 Ca 0.00 -1.96 -0.43 0.00 -0.76 0.00 0.00 57.45 54.31 3fjd n PHE 1 Cb 0.00 -0.28 -0.03 0.00 0.35 0.00 0.00 39.48 39.52 3fjd n PHE 1 CO 0.00 0.00 0.00 -0.80 -0.76 0.00 0.00 176.76 175.20 3fjd s ASN 2 N -3.48 6.92 0.00 -2.13 0.01 -1.26 -5.02 114.94 109.99 3fjd s ASN 2 Ca 0.42 1.07 -0.02 0.00 -0.71 0.00 0.00 52.86 53.61 3fjd s ASN 2 Cb 0.38 -2.51 -0.04 0.00 0.41 0.00 0.00 41.25 39.49 3fjd s ASN 2 CO -0.01 -0.76 0.18 -0.76 -1.51 0.00 0.00 177.10 174.24 3fjd s LEU 3 N 3.36 4.32 0.61 0.60 1.43 -1.26 -0.76 118.68 126.98 3fjd s LEU 3 Ca 0.42 0.31 -0.13 0.00 -1.03 0.00 0.00 54.13 53.70 3fjd s LEU 3 Cb -0.13 -2.63 -0.04 0.00 0.03 0.00 0.00 46.19 43.42 3fjd s LEU 3 CO 0.12 0.25 1.03 -2.16 0.23 0.00 0.00 176.35 175.82 3fjd s PRO 4 N -2.01 3.48 0.77 1.29 0.04 -1.26 -4.61 135.00 132.69 3fjd s PRO 4 Ca 0.28 0.94 -0.12 0.00 0.04 0.00 0.00 61.00 62.14 3fjd s PRO 4 Cb -0.13 -2.06 0.05 0.00 0.04 0.00 0.00 34.50 32.40 3fjd s PRO 4 CO 0.20 -0.66 1.14 -1.25 0.04 0.00 0.00 177.00 176.47 3fjd s PRO 5 N -4.65 2.32 0.00 0.56 0.04 -1.26 -4.96 135.00 127.05 3fjd s PRO 5 Ca 0.58 0.26 0.00 0.00 0.04 0.00 0.00 61.00 61.89 3fjd s PRO 5 Cb -0.12 -1.98 0.00 0.00 0.04 0.00 0.00 34.50 32.44 3fjd s PRO 5 CO 0.45 -1.38 0.00 0.41 0.04 0.00 0.00 177.00 176.53 3fjd n GLY 6 N -3.16 1.17 0.51 0.56 0.00 -1.26 -5.11 105.19 97.90 3fjd n GLY 6 Ca 0.08 -2.15 -0.03 0.00 0.00 0.00 0.00 46.02 43.91 3fjd n GLY 6 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 3fjd n ASN 7 N 0.00 0.03 -0.38 1.61 0.23 -1.26 -5.06 115.26 110.43 3fjd n ASN 7 Ca 0.00 -1.34 0.04 0.00 -0.53 0.00 0.00 54.58 52.74 3fjd n ASN 7 Cb 0.00 0.25 0.09 0.00 -2.08 0.00 0.00 39.78 38.04 3fjd n ASN 7 CO 0.00 0.00 0.00 -1.22 -0.93 0.00 0.00 177.26 175.11 3fjd n TYR 8 N -0.11 0.24 -0.13 -2.53 4.01 -1.26 -4.76 117.16 112.63 3fjd n TYR 8 Ca 0.01 -0.42 -0.10 0.00 -0.16 0.00 0.00 57.90 57.23 3fjd n TYR 8 Cb 0.10 -0.03 -0.05 0.00 -0.31 0.00 0.00 39.34 39.05 3fjd n TYR 8 CO 0.00 0.00 0.00 0.87 -0.46 0.00 0.00 176.86 177.27 3fjd h LYS 9 N 1.30 -0.32 -6.18 -0.72 1.57 -1.97 -3.43 116.57 106.82 3fjd h LYS 9 Ca 0.00 0.02 -0.51 0.00 -1.87 0.00 0.00 60.65 58.29 3fjd h LYS 9 Cb 0.59 0.07 -0.04 0.00 0.08 0.00 0.00 32.23 32.93 3fjd h LYS 9 CO 0.00 -0.21 -0.50 0.15 -0.57 0.00 0.00 179.45 178.32 3fjd s LYS 10 N -5.84 3.12 0.99 3.15 1.02 -1.26 -5.07 119.74 115.84 3fjd s LYS 10 Ca -0.15 -0.88 -0.12 0.00 0.02 0.00 0.00 55.97 54.84 3fjd s LYS 10 Cb 0.11 -2.72 0.18 0.00 -0.52 0.00 0.00 37.83 34.89 3fjd s LYS 10 CO 0.65 0.44 1.11 -1.25 -0.92 0.00 0.00 175.35 175.38 3fjd s PRO 11 N -3.65 0.53 0.22 -1.68 0.04 -1.26 -4.76 135.00 124.43 3fjd s PRO 11 Ca 0.33 0.42 -0.17 0.00 0.04 0.00 0.00 61.00 61.62 3fjd s PRO 11 Cb -0.09 -1.76 0.02 0.00 0.04 0.00 0.00 34.50 32.71 3fjd s PRO 11 CO 0.26 -2.64 0.54 -1.59 0.04 0.00 0.00 177.00 173.61 3fjd s LYS 12 N -5.06 1.47 0.13 4.56 -2.85 0.21 -3.79 119.74 114.41 3fjd s LYS 12 Ca 0.65 -0.95 0.03 0.00 -1.00 0.00 0.00 55.97 54.69 3fjd s LYS 12 Cb -0.17 0.52 -0.04 0.00 -2.06 0.00 0.00 37.83 36.08 3fjd s LYS 12 CO 0.56 -0.63 0.24 -0.51 0.10 0.00 0.00 175.35 175.11 3fjd s LEU 13 N -2.91 4.22 -0.26 2.77 1.43 0.12 -0.84 118.68 123.21 3fjd s LEU 13 Ca 0.12 0.13 0.01 0.00 -1.03 0.00 0.00 54.13 53.36 3fjd s LEU 13 Cb -0.02 -2.81 0.05 0.00 0.03 0.00 0.00 46.19 43.44 3fjd s LEU 13 CO 0.01 0.08 -0.09 -0.76 0.23 0.00 0.00 176.35 175.82 3fjd s LEU 14 N -3.04 3.41 -0.23 1.79 1.43 -1.26 -0.95 118.68 119.82 3fjd s LEU 14 Ca 0.34 -1.24 -0.14 0.00 -1.03 0.00 0.00 54.13 52.06 3fjd s LEU 14 Cb -0.11 -1.59 -0.04 0.00 0.03 0.00 0.00 46.19 44.47 3fjd s LEU 14 CO 0.27 -0.18 0.31 -0.47 0.23 0.00 0.00 176.35 176.51 3fjd s TYR 15 N 1.18 3.32 -0.14 0.29 5.04 -0.41 -0.20 117.35 126.42 3fjd s TYR 15 Ca -0.06 0.43 -0.19 0.00 -2.44 0.00 0.00 57.07 54.81 3fjd s TYR 15 Cb -0.19 -2.45 -0.04 0.00 0.35 0.00 0.00 41.96 39.63 3fjd s TYR 15 CO -0.05 -0.05 0.51 0.00 -1.34 0.00 0.00 175.55 174.62 3fjd h SER 17 N 6.96 0.16 -0.21 0.00 0.87 -1.44 0.14 113.55 120.04 3fjd h SER 17 Ca -0.39 -0.05 0.06 0.00 -1.23 0.00 0.00 61.79 60.18 3fjd h SER 17 Cb 1.17 -0.04 -0.07 0.00 -0.44 0.00 0.00 62.40 63.02 3fjd h SER 17 CO 0.75 0.43 -0.30 -1.13 -0.53 0.00 0.00 176.83 176.06 3fjd h ASN 18 N 0.15 -0.94 0.00 6.23 -1.24 -1.77 -3.29 115.58 114.72 3fjd h ASN 18 Ca 0.02 0.15 0.00 0.00 0.71 0.00 0.00 56.30 57.19 3fjd h ASN 18 Cb 0.55 0.42 0.00 0.00 0.73 0.00 0.00 38.32 40.02 3fjd h ASN 18 CO 0.04 -0.33 0.00 0.61 -1.29 0.00 0.00 177.43 176.46 3fjd n GLY 19 N -1.40 -0.86 1.99 1.57 0.00 -1.24 -4.75 105.19 100.50 3fjd n GLY 19 Ca -0.02 0.00 -0.02 0.00 0.00 0.00 0.00 46.02 45.98 3fjd n GLY 19 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3fjd n GLY 20 N 0.08 0.36 3.90 -0.02 0.00 0.49 -5.00 105.19 105.00 3fjd n GLY 20 Ca 0.00 -0.76 -0.33 0.00 0.00 0.00 0.00 46.02 44.92 3fjd n GLY 20 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 3fjd s HIS 21 N -2.26 3.55 -0.04 1.61 3.76 -1.17 -4.74 115.29 116.01 3fjd s HIS 21 Ca 0.01 0.39 -0.23 0.00 -0.15 0.00 0.00 55.06 55.08 3fjd s HIS 21 Cb -0.00 -1.85 -0.04 0.00 1.11 0.00 0.00 32.58 31.79 3fjd s HIS 21 CO 0.01 0.64 0.69 -0.06 -0.85 0.00 0.00 174.74 175.17 3fjd s PHE 22 N -1.32 3.62 0.48 1.40 0.08 0.55 -0.35 117.98 122.43 3fjd s PHE 22 Ca 0.27 1.27 -0.24 0.00 0.12 0.00 0.00 56.93 58.35 3fjd s PHE 22 Cb -0.13 -2.77 -0.08 0.00 -0.57 0.00 0.00 43.02 39.48 3fjd s PHE 22 CO 0.18 0.16 1.29 -0.11 -0.10 0.00 0.00 175.22 176.64 3fjd n LEU 23 N 3.47 4.60 -3.81 -0.37 7.94 0.72 -1.79 117.00 127.76 3fjd n LEU 23 Ca -0.02 1.04 -0.12 0.00 -1.11 0.00 0.00 56.01 55.80 3fjd n LEU 23 Cb 0.51 -1.53 -0.12 0.00 0.53 0.00 0.00 43.42 42.81 3fjd n LEU 23 CO 0.46 -0.67 -0.16 -0.60 -1.11 0.00 0.00 177.39 175.32 3fjd s ARG 24 N -2.49 0.24 -0.25 1.96 3.52 0.59 -4.52 118.95 118.00 3fjd s ARG 24 Ca 0.65 0.21 0.01 0.00 -0.13 0.00 0.00 55.73 56.48 3fjd s ARG 24 Cb -0.46 0.12 0.07 0.00 -1.56 0.00 0.00 34.95 33.11 3fjd s ARG 24 CO 0.54 -0.03 -0.04 0.42 -0.81 0.00 0.00 175.30 175.38 3fjd s ILE 25 N -0.02 1.62 0.70 4.11 1.01 -1.07 -1.58 121.20 125.98 3fjd s ILE 25 Ca -0.01 -1.38 -0.11 0.00 0.00 0.00 0.00 60.65 59.15 3fjd s ILE 25 Cb -0.02 -1.92 0.01 0.00 0.01 0.00 0.00 42.46 40.54 3fjd s ILE 25 CO 0.00 -0.18 1.06 -0.76 0.00 0.00 0.00 174.94 175.07 3fjd s LEU 26 N 1.33 3.10 0.38 2.97 1.43 -0.06 -4.84 118.68 123.00 3fjd s LEU 26 Ca -0.04 1.58 0.16 0.00 -1.03 0.00 0.00 54.13 54.80 3fjd s LEU 26 Cb -0.19 -4.45 1.03 0.00 0.03 0.00 0.00 46.19 42.61 3fjd s LEU 26 CO -0.07 -1.44 1.78 -0.65 0.23 0.00 0.00 176.35 176.19 3fjd h PRO 27 N -0.72 0.45 0.00 1.29 0.11 -1.99 0.13 132.00 131.27 3fjd h PRO 27 Ca -0.44 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 65.64 3fjd h PRO 27 Cb 1.21 -0.10 0.00 0.00 0.11 0.00 0.00 31.00 32.22 3fjd h PRO 27 CO 0.57 0.30 0.00 -0.40 -0.21 0.00 0.00 178.00 178.26 3fjd n ASP 28 N -4.66 0.00 0.00 -2.05 5.75 -1.26 -4.87 116.55 109.46 3fjd n ASP 28 Ca 0.25 -0.77 0.00 0.00 -0.01 0.00 0.00 54.79 54.26 3fjd n ASP 28 Cb 0.81 -0.03 0.00 0.00 -1.03 0.00 0.00 41.12 40.87 3fjd n ASP 28 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 3fjd n GLY 29 N 0.72 0.71 3.76 6.12 0.00 0.46 -4.97 105.19 111.99 3fjd n GLY 29 Ca 0.20 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.83 3fjd n GLY 29 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 3fjd s THR 30 N -2.56 3.67 -0.05 2.61 -4.23 -1.25 -0.48 115.64 113.35 3fjd s THR 30 Ca 0.00 1.55 0.04 0.00 -1.18 0.00 0.00 61.69 62.10 3fjd s THR 30 Cb 0.00 -3.94 -0.03 0.00 1.34 0.00 0.00 72.50 69.88 3fjd s THR 30 CO 0.00 0.27 -0.15 -0.69 -0.54 0.00 0.00 174.62 173.51 3fjd s VAL 31 N -1.32 3.01 0.00 2.29 1.01 -1.26 -0.88 120.40 123.24 3fjd s VAL 31 Ca 0.48 -0.74 0.00 0.00 0.00 0.00 0.00 61.98 61.72 3fjd s VAL 31 Cb -0.28 -2.18 0.00 0.00 0.00 0.00 0.00 36.38 33.93 3fjd s VAL 31 CO 0.35 0.59 0.00 -0.90 0.00 0.00 0.00 175.10 175.14 3fjd n ASP 32 N 2.35 0.00 -4.29 3.32 5.75 -0.61 -4.58 116.55 118.49 3fjd n ASP 32 Ca -0.17 -0.60 -0.20 0.00 -0.01 0.00 0.00 54.79 53.81 3fjd n ASP 32 Cb 0.52 0.00 -0.11 0.00 -1.03 0.00 0.00 41.12 40.50 3fjd n ASP 32 CO 0.00 0.00 0.00 -0.83 -0.11 0.00 0.00 177.20 176.26 3fjd s GLY 33 N -1.06 1.26 0.02 6.12 0.00 0.88 -0.30 107.32 114.23 3fjd s GLY 33 Ca 0.00 -1.40 -0.09 0.00 0.00 0.00 0.00 44.72 43.23 3fjd s GLY 33 CO 0.00 -1.45 0.17 -1.08 0.00 0.00 0.00 173.10 170.74 3fjd s THR 34 N -2.07 0.10 -1.70 0.90 -1.32 -0.74 -4.81 115.64 106.00 3fjd s THR 34 Ca 0.13 -0.81 0.23 0.00 -1.21 0.00 0.00 61.69 60.03 3fjd s THR 34 Cb -0.05 -0.71 -0.01 0.00 -1.51 0.00 0.00 72.50 70.21 3fjd s THR 34 CO 0.05 -0.45 1.14 0.54 -2.21 0.00 0.00 174.62 173.69 3fjd n ARG 35 N 1.02 0.81 -2.32 7.08 1.74 -1.26 -0.33 116.66 123.41 3fjd n ARG 35 Ca -0.21 -0.64 -0.42 0.00 -0.77 0.00 0.00 57.85 55.81 3fjd n ARG 35 Cb 0.57 -1.49 -0.02 0.00 -1.02 0.00 0.00 32.46 30.50 3fjd n ARG 35 CO 0.00 0.00 0.00 0.34 -1.52 0.00 0.00 177.63 176.45 3fjd s ASP 36 N -2.63 6.14 0.14 0.55 2.15 -1.26 -4.87 116.67 116.90 3fjd s ASP 36 Ca 0.17 0.62 0.20 0.00 0.43 0.00 0.00 52.55 53.97 3fjd s ASP 36 Cb 0.18 -2.54 0.83 0.00 -0.30 0.00 0.00 42.92 41.09 3fjd s ASP 36 CO 0.64 -1.63 1.62 -1.14 -0.17 0.00 0.00 175.17 174.49 3fjd n ARG 37 N 8.41 0.11 -0.13 4.34 0.63 -1.26 -2.21 116.66 126.55 3fjd n ARG 37 Ca 0.16 0.32 0.11 0.00 -0.92 0.00 0.00 57.85 57.52 3fjd n ARG 37 Cb 0.49 -1.70 0.29 0.00 0.45 0.00 0.00 32.46 31.99 3fjd n ARG 37 CO 0.00 0.00 0.00 -1.13 -2.51 0.00 0.00 177.63 173.99 3fjd n SER 38 N -1.90 2.50 -4.75 6.15 3.41 -1.26 -4.95 113.62 112.82 3fjd n SER 38 Ca 0.03 -1.85 -0.41 0.00 -0.26 0.00 0.00 58.87 56.37 3fjd n SER 38 Cb 0.22 -0.17 -0.01 0.00 -0.26 0.00 0.00 64.21 63.99 3fjd n SER 38 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 3fjd s ASP 39 N -1.52 6.35 0.00 4.04 -1.08 -0.94 -4.91 116.67 118.61 3fjd s ASP 39 Ca 0.35 2.98 0.29 0.00 -0.52 0.00 0.00 52.55 55.65 3fjd s ASP 39 Cb 0.20 -2.64 1.34 0.00 -1.46 0.00 0.00 42.92 40.36 3fjd s ASP 39 CO 0.28 -0.92 1.91 0.00 0.52 0.00 0.00 175.17 176.96 3fjd n GLN 40 N 1.94 1.31 -0.53 4.34 1.13 -1.26 -3.95 117.38 120.35 3fjd n GLN 40 Ca 0.07 -0.55 0.05 0.00 -1.94 0.00 0.00 57.00 54.63 3fjd n GLN 40 Cb 0.37 -1.49 0.20 0.00 0.11 0.00 0.00 30.24 29.43 3fjd n GLN 40 CO 0.00 0.00 0.00 0.72 -1.44 0.00 0.00 177.06 176.34 3fjd n HIS 41 N -0.37 0.31 0.47 1.08 8.25 -1.26 -4.60 115.22 119.10 3fjd n HIS 41 Ca 0.20 -1.39 0.06 0.00 -0.26 0.00 0.00 57.72 56.33 3fjd n HIS 41 Cb 0.26 -0.29 0.04 0.00 1.12 0.00 0.00 29.99 31.12 3fjd n HIS 41 CO 0.00 0.00 0.00 0.44 0.64 0.00 0.00 176.34 177.42 3fjd n ILE 42 N -1.15 0.00 -3.07 1.59 -5.35 -1.25 -2.59 119.36 107.54 3fjd n ILE 42 Ca 0.22 -0.48 -0.40 0.00 -0.27 0.00 0.00 62.75 61.82 3fjd n ILE 42 Cb 0.77 1.21 -0.05 0.00 -1.74 0.00 0.00 39.64 39.83 3fjd n ILE 42 CO 0.00 0.00 0.00 -1.10 -1.76 0.00 0.00 176.55 173.69 3fjd s GLN 43 N -1.02 4.33 0.02 6.28 1.11 -1.26 -4.42 119.66 124.69 3fjd s GLN 43 Ca 0.12 0.77 0.06 0.00 0.01 0.00 0.00 55.36 56.32 3fjd s GLN 43 Cb 0.09 -3.51 -0.02 0.00 -1.01 0.00 0.00 33.01 28.56 3fjd s GLN 43 CO 0.16 -0.10 -0.17 -0.06 0.01 0.00 0.00 175.29 175.13 3fjd s PHE 44 N 1.40 1.52 -0.32 0.91 0.08 -0.02 -1.59 117.98 119.96 3fjd s PHE 44 Ca 0.34 -0.33 -0.09 0.00 0.12 0.00 0.00 56.93 56.97 3fjd s PHE 44 Cb -0.17 -0.93 0.01 0.00 -0.57 0.00 0.00 43.02 41.36 3fjd s PHE 44 CO 0.14 0.03 0.14 -1.14 -0.10 0.00 0.00 175.22 174.28 3fjd s GLN 45 N -0.85 3.10 0.12 0.44 2.00 0.11 -0.62 119.66 123.97 3fjd s GLN 45 Ca 0.05 -0.87 -0.13 0.00 -2.00 0.00 0.00 55.36 52.41 3fjd s GLN 45 Cb -0.08 -3.53 -0.07 0.00 0.80 0.00 0.00 33.01 30.14 3fjd s GLN 45 CO 0.01 -0.50 0.51 -0.51 -0.50 0.00 0.00 175.29 174.30 3fjd s LEU 46 N 1.55 4.35 0.02 3.68 1.02 -1.26 -1.76 118.68 126.28 3fjd s LEU 46 Ca 0.03 1.02 0.01 0.00 0.02 0.00 0.00 54.13 55.20 3fjd s LEU 46 Cb -0.18 -3.16 -0.01 0.00 0.02 0.00 0.00 46.19 42.86 3fjd s LEU 46 CO 0.05 0.13 -0.04 -0.94 0.02 0.00 0.00 176.35 175.58 3fjd s SER 47 N -1.68 0.37 -0.15 2.29 1.04 -0.83 -4.77 113.70 109.98 3fjd s SER 47 Ca 0.36 -0.35 -0.11 0.00 0.48 0.00 0.00 55.95 56.32 3fjd s SER 47 Cb -0.15 0.04 -0.05 0.00 0.10 0.00 0.00 66.02 65.97 3fjd s SER 47 CO 0.19 -0.17 0.23 0.00 0.98 0.00 0.00 173.24 174.47 3fjd s ALA 48 N -0.96 3.69 0.00 5.32 0.00 -1.26 -0.84 121.76 127.71 3fjd s ALA 48 Ca -0.09 -0.53 0.00 0.00 0.00 0.00 0.00 51.96 51.34 3fjd s ALA 48 Cb -0.07 -2.24 0.00 0.00 0.00 0.00 0.00 23.12 20.81 3fjd s ALA 48 CO -0.00 0.27 0.00 -1.91 0.00 0.00 0.00 175.76 174.11 3fjd n GLU 49 N 3.03 0.00 -2.43 0.00 4.07 -0.02 -4.98 120.64 120.31 3fjd n GLU 49 Ca -0.15 0.00 -0.24 0.00 -0.06 0.00 0.00 57.16 56.71 3fjd n GLU 49 Cb 0.53 0.00 0.05 0.00 -0.06 0.00 0.00 31.44 31.95 3fjd n GLU 49 CO 0.00 0.00 0.00 -1.12 -0.06 0.00 0.00 177.13 175.95 3fjd s SER 50 N -1.00 5.19 0.12 4.31 0.01 -1.26 -4.92 113.70 116.15 3fjd s SER 50 Ca 0.00 0.36 -0.34 0.00 1.31 0.00 0.00 55.95 57.28 3fjd s SER 50 Cb 0.00 -1.20 -0.13 0.00 0.21 0.00 0.00 66.02 64.90 3fjd s SER 50 CO 0.00 -1.28 1.64 0.52 0.41 0.00 0.00 173.24 174.53 3fjd n VAL 51 N -2.62 0.12 -0.30 3.43 0.31 -1.26 -0.72 118.33 117.29 3fjd n VAL 51 Ca 0.07 -0.02 0.00 0.00 -0.01 0.00 0.00 64.34 64.38 3fjd n VAL 51 Cb 0.59 -1.63 0.00 0.00 -0.91 0.00 0.00 33.84 31.90 3fjd n VAL 51 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 3fjd n GLY 52 N 3.63 1.56 3.52 2.92 0.00 -1.26 -5.02 105.19 110.53 3fjd n GLY 52 Ca 0.18 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.86 3fjd n GLY 52 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3fjd s GLU 53 N -0.30 3.62 0.11 1.61 2.02 0.10 -1.03 118.70 124.82 3fjd s GLU 53 Ca 0.00 -0.51 0.04 0.00 0.02 0.00 0.00 54.97 54.52 3fjd s GLU 53 Cb 0.00 -2.91 -0.04 0.00 0.10 0.00 0.00 34.13 31.28 3fjd s GLU 53 CO 0.00 0.28 -0.10 0.14 0.02 0.00 0.00 175.26 175.60 3fjd s VAL 54 N 0.25 0.98 -0.04 2.63 -7.23 0.23 -0.84 120.40 116.39 3fjd s VAL 54 Ca -0.02 -1.74 0.02 0.00 -1.81 0.00 0.00 61.98 58.43 3fjd s VAL 54 Cb -0.14 -1.47 -0.03 0.00 0.56 0.00 0.00 36.38 35.30 3fjd s VAL 54 CO 0.03 -0.61 -0.06 -0.31 -0.31 0.00 0.00 175.10 173.84 3fjd s TYR 55 N -2.67 2.94 -0.30 2.82 2.02 -0.02 -1.14 117.35 121.00 3fjd s TYR 55 Ca 0.08 0.01 0.03 0.00 -0.37 0.00 0.00 57.07 56.82 3fjd s TYR 55 Cb -0.01 -1.67 0.08 0.00 -0.40 0.00 0.00 41.96 39.95 3fjd s TYR 55 CO -0.00 0.36 -0.02 0.42 -1.57 0.00 0.00 175.55 174.74 3fjd s ILE 56 N -0.91 2.28 -0.15 2.71 1.01 -1.26 -1.96 121.20 122.93 3fjd s ILE 56 Ca 0.15 -1.97 -0.04 0.00 0.00 0.00 0.00 60.65 58.79 3fjd s ILE 56 Cb -0.11 -2.52 -0.03 0.00 0.01 0.00 0.00 42.46 39.82 3fjd s ILE 56 CO 0.05 -0.32 -0.03 -0.75 0.00 0.00 0.00 174.94 173.88 3fjd s LYS 57 N 1.01 3.66 0.02 2.79 2.20 -0.72 -0.96 119.74 127.75 3fjd s LYS 57 Ca 0.01 -0.51 -0.30 0.00 -0.36 0.00 0.00 55.97 54.80 3fjd s LYS 57 Cb -0.20 -2.92 -0.08 0.00 -1.51 0.00 0.00 37.83 33.13 3fjd s LYS 57 CO -0.06 0.26 1.74 0.45 -0.36 0.00 0.00 175.35 177.38 3fjd s SER 58 N 0.32 6.58 0.45 1.43 0.15 0.65 0.09 113.70 123.37 3fjd s SER 58 Ca -0.04 2.46 0.25 0.00 0.70 0.00 0.00 55.95 59.32 3fjd s SER 58 Cb -0.14 -2.54 0.54 0.00 -1.71 0.00 0.00 66.02 62.17 3fjd s SER 58 CO 0.03 -0.95 1.68 0.71 1.20 0.00 0.00 173.24 175.91 3fjd h THR 59 N 5.27 0.09 0.17 6.45 1.35 -1.63 0.27 112.91 124.88 3fjd h THR 59 Ca -0.43 -1.01 -0.33 0.00 -0.55 0.00 0.00 66.41 64.08 3fjd h THR 59 Cb 1.20 1.93 0.01 0.00 -1.73 0.00 0.00 68.15 69.56 3fjd h THR 59 CO 0.94 0.05 -1.65 -0.08 -0.25 0.00 0.00 175.52 174.53 3fjd h GLU 60 N 0.00 0.36 0.00 4.72 4.57 -1.82 -3.40 114.58 119.01 3fjd h GLU 60 Ca -0.00 -0.61 0.00 0.00 -1.18 0.00 0.00 59.36 57.57 3fjd h GLU 60 Cb 0.93 0.23 0.00 0.00 -0.16 0.00 0.00 28.75 29.74 3fjd h GLU 60 CO 0.01 1.25 -0.63 0.25 -1.18 0.00 0.00 179.01 178.72 3fjd n THR 61 N -3.55 0.00 -0.77 0.32 -2.24 -1.24 -5.00 114.28 101.80 3fjd n THR 61 Ca -0.21 -0.28 0.00 0.00 -2.27 0.00 0.00 64.05 61.29 3fjd n THR 61 Cb 1.07 0.83 0.00 0.00 -2.10 0.00 0.00 70.33 70.13 3fjd n THR 61 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3fjd n GLY 62 N 1.39 1.37 3.81 3.38 0.00 0.08 -5.01 105.19 110.21 3fjd n GLY 62 Ca 0.01 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.69 3fjd n GLY 62 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 3fjd s GLN 63 N -0.03 3.91 -0.08 1.61 -0.21 -1.26 -4.69 119.66 118.91 3fjd s GLN 63 Ca 0.00 1.27 -0.03 0.00 0.02 0.00 0.00 55.36 56.61 3fjd s GLN 63 Cb 0.00 -2.12 -0.04 0.00 1.00 0.00 0.00 33.01 31.85 3fjd s GLN 63 CO 0.00 -0.32 0.07 0.71 -2.12 0.00 0.00 175.29 173.63 3fjd s TYR 64 N -2.08 3.35 0.31 0.91 1.51 0.21 -0.25 117.35 121.31 3fjd s TYR 64 Ca 0.65 0.32 -0.29 0.00 -1.01 0.00 0.00 57.07 56.74 3fjd s TYR 64 Cb -0.14 -1.84 -0.10 0.00 -0.11 0.00 0.00 41.96 39.78 3fjd s TYR 64 CO 0.19 0.58 1.25 -1.17 -1.11 0.00 0.00 175.55 175.29 3fjd s LEU 65 N -1.10 4.46 0.11 -1.29 2.96 -0.13 0.57 118.68 124.26 3fjd s LEU 65 Ca 0.16 2.56 -0.13 0.00 -0.22 0.00 0.00 54.13 56.50 3fjd s LEU 65 Cb -0.12 -3.64 0.02 0.00 0.50 0.00 0.00 46.19 42.95 3fjd s LEU 65 CO 0.05 -0.42 0.30 0.00 -1.32 0.00 0.00 176.35 174.97 3fjd s ALA 66 N -1.11 -0.61 -0.08 5.97 0.00 -0.32 -4.33 121.76 121.28 3fjd s ALA 66 Ca 0.48 -0.30 0.01 0.00 0.00 0.00 0.00 51.96 52.15 3fjd s ALA 66 Cb -0.37 0.59 0.02 0.00 0.00 0.00 0.00 23.12 23.35 3fjd s ALA 66 CO 0.49 -0.58 -0.11 1.41 0.00 0.00 0.00 175.76 176.97 3fjd s MET 67 N -3.79 1.67 0.91 0.00 1.75 -0.86 -1.02 119.30 117.96 3fjd s MET 67 Ca 0.04 -0.37 -0.12 0.00 -1.25 0.00 0.00 55.69 53.98 3fjd s MET 67 Cb 0.03 -1.48 0.19 0.00 2.84 0.00 0.00 34.83 36.41 3fjd s MET 67 CO -0.11 -0.06 1.24 0.16 -0.65 0.00 0.00 175.02 175.60 3fjd s ASP 68 N 0.97 3.35 0.16 1.11 1.47 -0.41 -4.80 116.67 118.52 3fjd s ASP 68 Ca -0.09 0.03 0.14 0.00 1.18 0.00 0.00 52.55 53.81 3fjd s ASP 68 Cb -0.15 -0.12 0.67 0.00 -0.34 0.00 0.00 42.92 42.99 3fjd s ASP 68 CO -0.00 -2.56 1.42 0.35 0.68 0.00 0.00 175.17 175.06 3fjd n THR 69 N -3.54 1.33 0.82 2.11 -2.24 -1.26 -0.60 114.28 110.90 3fjd n THR 69 Ca 0.16 0.51 0.12 0.00 -2.27 0.00 0.00 64.05 62.57 3fjd n THR 69 Cb 0.60 -1.47 0.15 0.00 -2.10 0.00 0.00 70.33 67.50 3fjd n THR 69 CO 0.00 0.00 0.00 0.47 -0.57 0.00 0.00 175.07 174.97 3fjd n ASP 70 N -1.90 3.08 0.00 3.42 8.00 -1.26 -4.96 116.55 122.94 3fjd n ASP 70 Ca 0.00 -1.98 0.00 0.00 0.71 0.00 0.00 54.79 53.52 3fjd n ASP 70 Cb 0.07 -0.07 0.00 0.00 -0.02 0.00 0.00 41.12 41.10 3fjd n ASP 70 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 3fjd n GLY 71 N 1.39 0.66 3.83 0.44 0.00 0.23 -4.58 105.19 107.16 3fjd n GLY 71 Ca 0.16 -0.18 -0.37 0.00 0.00 0.00 0.00 46.02 45.63 3fjd n GLY 71 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3fjd s LEU 72 N 0.00 4.41 0.41 0.99 2.01 -1.26 0.02 118.68 125.26 3fjd s LEU 72 Ca 0.00 0.74 -0.20 0.00 0.01 0.00 0.00 54.13 54.69 3fjd s LEU 72 Cb 0.00 -2.40 -0.10 0.00 0.01 0.00 0.00 46.19 43.69 3fjd s LEU 72 CO 0.00 0.31 0.91 -0.76 1.01 0.00 0.00 176.35 177.82 3fjd s LEU 73 N -0.77 3.95 0.15 1.79 1.43 -1.26 -1.28 118.68 122.69 3fjd s LEU 73 Ca 0.20 1.61 -0.24 0.00 -1.03 0.00 0.00 54.13 54.67 3fjd s LEU 73 Cb -0.15 -4.45 0.06 0.00 0.03 0.00 0.00 46.19 41.69 3fjd s LEU 73 CO 0.09 -0.34 0.70 -0.72 0.23 0.00 0.00 176.35 176.31 3fjd s TYR 74 N -2.16 -0.40 -0.21 0.29 1.13 -0.19 -4.64 117.35 111.17 3fjd s TYR 74 Ca 0.60 0.15 -0.15 0.00 -1.41 0.00 0.00 57.07 56.26 3fjd s TYR 74 Cb -0.09 0.59 -0.04 0.00 -1.10 0.00 0.00 41.96 41.32 3fjd s TYR 74 CO 0.15 -0.87 0.37 0.20 -2.51 0.00 0.00 175.55 172.88 3fjd s GLY 75 N -2.75 2.06 -0.05 5.49 0.00 0.37 -1.18 107.32 111.26 3fjd s GLY 75 Ca 0.05 -0.59 -0.07 0.00 0.00 0.00 0.00 44.72 44.11 3fjd s GLY 75 CO -0.07 0.78 0.22 -0.45 0.00 0.00 0.00 173.10 173.57 3fjd s SER 76 N 1.07 6.47 0.47 1.64 0.15 0.19 -4.76 113.70 118.94 3fjd s SER 76 Ca 0.17 0.54 0.24 0.00 0.70 0.00 0.00 55.95 57.61 3fjd s SER 76 Cb -0.15 -2.09 1.11 0.00 -1.71 0.00 0.00 66.02 63.19 3fjd s SER 76 CO 0.08 0.33 1.92 1.56 1.20 0.00 0.00 173.24 178.33 3fjd h GLN 77 N 4.49 0.00 -5.18 5.44 1.08 -1.92 0.62 115.11 119.64 3fjd h GLN 77 Ca -0.52 0.00 -0.37 0.00 -1.45 0.00 0.00 58.65 56.31 3fjd h GLN 77 Cb 1.21 0.00 -0.19 0.00 -0.05 0.00 0.00 27.48 28.46 3fjd h GLN 77 CO 0.62 0.20 -0.75 0.95 -0.95 0.00 0.00 178.83 178.91 3fjd s THR 78 N -3.90 1.10 -0.57 -0.54 -4.23 -1.26 -4.82 115.64 101.42 3fjd s THR 78 Ca -0.01 -1.58 -0.23 0.00 -1.18 0.00 0.00 61.69 58.68 3fjd s THR 78 Cb 0.12 -1.34 0.05 0.00 1.34 0.00 0.00 72.50 72.67 3fjd s THR 78 CO 0.62 -0.44 0.92 -2.16 -0.54 0.00 0.00 174.62 173.03 3fjd s PRO 79 N -2.50 3.28 0.01 3.99 0.04 -1.26 -4.77 135.00 133.78 3fjd s PRO 79 Ca 0.05 -0.41 0.00 0.00 0.04 0.00 0.00 61.00 60.68 3fjd s PRO 79 Cb -0.05 -4.09 -0.00 0.00 0.04 0.00 0.00 34.50 30.40 3fjd s PRO 79 CO 0.02 -1.52 0.00 0.27 0.04 0.00 0.00 177.00 175.80 3fjd n ASN 80 N 7.41 1.22 0.16 6.66 0.23 -1.26 -4.99 115.26 124.68 3fjd n ASN 80 Ca 0.00 -1.04 0.18 0.00 -0.53 0.00 0.00 54.58 53.20 3fjd n ASN 80 Cb 0.47 0.01 0.79 0.00 -2.08 0.00 0.00 39.78 38.97 3fjd n ASN 80 CO 0.00 0.00 0.00 1.05 -0.93 0.00 0.00 177.26 177.38 3fjd h GLU 81 N 0.00 0.00 0.00 -3.83 4.11 -1.98 0.76 114.58 113.63 3fjd h GLU 81 Ca -0.01 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.42 3fjd h GLU 81 Cb 0.02 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.27 3fjd h GLU 81 CO 0.01 0.00 0.00 0.39 0.07 0.00 0.00 179.01 179.48 3fjd n GLU 82 N -3.84 0.01 0.00 1.06 1.02 -1.26 -3.48 120.64 114.15 3fjd n GLU 82 Ca 0.04 0.06 0.11 0.00 -0.02 0.00 0.00 57.16 57.35 3fjd n GLU 82 Cb 0.43 -1.50 0.03 0.00 -0.02 0.00 0.00 31.44 30.38 3fjd n GLU 82 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 3fjd s LEU 84 N -2.38 4.26 0.01 0.00 1.43 -1.23 -4.42 118.68 116.36 3fjd s LEU 84 Ca 0.21 1.12 0.06 0.00 -1.03 0.00 0.00 54.13 54.49 3fjd s LEU 84 Cb 0.19 -3.07 -0.02 0.00 0.03 0.00 0.00 46.19 43.32 3fjd s LEU 84 CO 0.52 -0.19 -0.19 -0.36 0.23 0.00 0.00 176.35 176.36 3fjd s PHE 85 N 1.21 1.71 -0.46 0.29 0.40 -0.29 -1.58 117.98 119.26 3fjd s PHE 85 Ca 0.36 -0.34 -0.26 0.00 -0.60 0.00 0.00 56.93 56.08 3fjd s PHE 85 Cb -0.17 -1.07 0.03 0.00 0.51 0.00 0.00 43.02 42.32 3fjd s PHE 85 CO 0.16 0.02 0.98 -0.51 0.70 0.00 0.00 175.22 176.57 3fjd s LEU 86 N -0.75 3.91 -0.34 -0.37 1.43 0.89 -0.60 118.68 122.84 3fjd s LEU 86 Ca 0.07 0.25 -0.21 0.00 -1.03 0.00 0.00 54.13 53.20 3fjd s LEU 86 Cb -0.08 -3.29 0.00 0.00 0.03 0.00 0.00 46.19 42.85 3fjd s LEU 86 CO 0.00 -1.09 0.67 -0.70 0.23 0.00 0.00 176.35 175.47 3fjd s GLU 87 N 3.92 3.77 0.11 1.70 2.12 -0.20 -1.50 118.70 128.62 3fjd s GLU 87 Ca 0.40 0.20 0.05 0.00 0.36 0.00 0.00 54.97 55.98 3fjd s GLU 87 Cb -0.09 -3.78 -0.04 0.00 0.26 0.00 0.00 34.13 30.48 3fjd s GLU 87 CO 0.27 -0.71 -0.13 1.03 -0.54 0.00 0.00 175.26 175.18 3fjd s ARG 88 N 2.78 0.94 0.38 4.30 1.81 -0.67 -4.63 118.95 123.86 3fjd s ARG 88 Ca 0.27 -1.18 -0.24 0.00 -1.72 0.00 0.00 55.73 52.86 3fjd s ARG 88 Cb -0.14 -0.76 -0.10 0.00 -0.45 0.00 0.00 34.95 33.50 3fjd s ARG 88 CO 0.14 0.14 0.98 -1.17 -0.68 0.00 0.00 175.30 174.71 3fjd s LEU 89 N -2.39 4.14 0.00 2.53 2.96 0.06 -0.41 118.68 125.58 3fjd s LEU 89 Ca 0.07 1.85 0.00 0.00 -0.22 0.00 0.00 54.13 55.82 3fjd s LEU 89 Cb -0.05 -4.25 -0.00 0.00 0.50 0.00 0.00 46.19 42.39 3fjd s LEU 89 CO 0.02 -0.31 -0.01 -0.70 -1.32 0.00 0.00 176.35 174.03 3fjd s GLU 90 N -2.58 0.08 -1.33 1.98 2.56 0.68 -4.81 118.70 115.28 3fjd s GLU 90 Ca 0.57 -0.12 -0.09 0.00 0.00 0.00 0.00 54.97 55.32 3fjd s GLU 90 Cb -0.16 -0.00 0.07 0.00 2.00 0.00 0.00 34.13 36.03 3fjd s GLU 90 CO 0.21 -0.00 0.53 0.39 -0.56 0.00 0.00 175.26 175.83 3fjd n GLU 91 N 2.80 -3.61 -1.80 4.30 1.02 -1.26 -0.67 120.64 121.42 3fjd n GLU 91 Ca -0.14 0.52 -0.14 0.00 -0.02 0.00 0.00 57.16 57.38 3fjd n GLU 91 Cb 0.59 -5.25 -0.04 0.00 -0.02 0.00 0.00 31.44 26.72 3fjd n GLU 91 CO 0.00 0.00 0.00 0.09 1.18 0.00 0.00 177.13 178.40 3fjd n ASN 92 N -2.34 -3.87 0.00 1.62 4.13 -1.26 -4.59 115.26 108.95 3fjd n ASN 92 Ca -0.02 0.27 0.00 0.00 1.68 0.00 0.00 54.58 56.51 3fjd n ASN 92 Cb 0.55 -3.46 0.00 0.00 -1.54 0.00 0.00 39.78 35.33 3fjd n ASN 92 CO 0.00 0.00 0.00 1.57 0.28 0.00 0.00 177.26 179.11 3fjd n HIS 93 N -2.52 -1.23 -2.24 3.10 -0.00 -0.02 -5.16 115.22 107.15 3fjd n HIS 93 Ca -0.15 0.00 -0.25 0.00 -0.00 0.00 0.00 57.72 57.32 3fjd n HIS 93 Cb 0.52 0.43 0.07 0.00 -0.00 0.00 0.00 29.99 31.01 3fjd n HIS 93 CO 0.00 0.00 0.00 0.71 -0.00 0.00 0.00 176.34 177.05 3fjd s TYR 94 N -1.87 2.80 -0.10 1.57 2.02 0.16 -4.83 117.35 117.09 3fjd s TYR 94 Ca 0.00 0.36 -0.01 0.00 -0.37 0.00 0.00 57.07 57.05 3fjd s TYR 94 Cb 0.00 -3.19 -0.03 0.00 -0.40 0.00 0.00 41.96 38.34 3fjd s TYR 94 CO 0.00 -1.43 -0.05 -0.80 -1.57 0.00 0.00 175.55 171.70 3fjd s ASN 95 N -4.53 4.76 0.22 2.29 -0.87 0.79 -0.23 114.94 117.37 3fjd s ASN 95 Ca 0.61 -0.04 0.11 0.00 -1.57 0.00 0.00 52.86 51.97 3fjd s ASN 95 Cb -0.10 -1.44 -0.05 0.00 -0.02 0.00 0.00 41.25 39.64 3fjd s ASN 95 CO 0.44 0.29 -0.21 0.42 -2.57 0.00 0.00 177.10 175.47 3fjd s THR 96 N -0.38 2.47 -0.23 1.60 -4.23 0.46 -0.51 115.64 114.81 3fjd s THR 96 Ca 0.06 -2.13 -0.01 0.00 -1.18 0.00 0.00 61.69 58.43 3fjd s THR 96 Cb -0.12 -2.23 0.07 0.00 1.34 0.00 0.00 72.50 71.56 3fjd s THR 96 CO 0.02 -0.21 0.02 -0.31 -0.54 0.00 0.00 174.62 173.60 3fjd s TYR 97 N -1.96 1.57 -0.18 3.99 2.02 -1.26 -1.67 117.35 119.86 3fjd s TYR 97 Ca 0.24 -1.29 -0.10 0.00 -0.37 0.00 0.00 57.07 55.56 3fjd s TYR 97 Cb -0.07 -1.32 -0.05 0.00 -0.40 0.00 0.00 41.96 40.12 3fjd s TYR 97 CO 0.12 -0.71 0.15 0.42 -1.57 0.00 0.00 175.55 173.96 3fjd s ILE 98 N 1.67 5.41 -0.01 2.71 1.01 -0.56 -0.93 121.20 130.51 3fjd s ILE 98 Ca -0.01 0.23 -0.34 0.00 0.00 0.00 0.00 60.65 60.53 3fjd s ILE 98 Cb -0.18 -3.48 -0.13 0.00 0.01 0.00 0.00 42.46 38.69 3fjd s ILE 98 CO -0.10 0.47 1.76 -0.24 0.00 0.00 0.00 174.94 176.82 3fjd n SER 99 N 3.26 3.24 -0.06 3.58 2.88 -0.16 -0.08 113.62 126.29 3fjd n SER 99 Ca -0.16 1.02 -0.14 0.00 -1.33 0.00 0.00 58.87 58.26 3fjd n SER 99 Cb 0.52 -1.38 -0.06 0.00 -0.75 0.00 0.00 64.21 62.55 3fjd n SER 99 CO 0.00 0.00 0.00 0.50 -1.23 0.00 0.00 175.04 174.31 3fjd h LYS 100 N 7.91 0.52 -0.96 -1.46 3.64 -1.61 -0.82 116.57 123.79 3fjd h LYS 100 Ca -0.47 -0.30 0.08 0.00 -1.27 0.00 0.00 60.65 58.68 3fjd h LYS 100 Cb 1.27 0.02 -0.07 0.00 -0.41 0.00 0.00 32.23 33.05 3fjd h LYS 100 CO 0.92 0.90 0.62 -0.22 -2.27 0.00 0.00 179.45 179.40 3fjd h LYS 101 N 0.18 1.03 -0.46 1.90 3.64 -1.77 -2.50 116.57 118.59 3fjd h LYS 101 Ca 0.02 -0.06 -0.26 0.00 -1.27 0.00 0.00 60.65 59.08 3fjd h LYS 101 Cb 0.84 -0.23 -0.16 0.00 -0.41 0.00 0.00 32.23 32.27 3fjd h LYS 101 CO 0.06 0.68 -0.06 0.72 -2.27 0.00 0.00 179.45 178.59 3fjd n HIS 102 N -4.52 1.47 -0.21 1.91 8.25 -1.21 -4.77 115.22 116.14 3fjd n HIS 102 Ca 0.16 -1.77 0.11 0.00 -0.26 0.00 0.00 57.72 55.95 3fjd n HIS 102 Cb 0.24 -0.56 0.40 0.00 1.12 0.00 0.00 29.99 31.19 3fjd n HIS 102 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 3fjd h ALA 103 N 1.17 1.86 0.00 -1.41 0.00 -0.67 0.64 119.26 120.85 3fjd h ALA 103 Ca 0.28 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.19 3fjd h ALA 103 Cb 1.67 -0.13 0.00 0.00 0.00 0.00 0.00 17.79 19.33 3fjd h ALA 103 CO 0.54 -0.05 0.00 1.05 0.00 0.00 0.00 179.25 180.78 3fjd h GLU 104 N 0.64 0.00 -0.01 0.00 9.09 -1.86 -2.37 114.58 120.08 3fjd h GLU 104 Ca 0.38 0.00 0.00 0.00 0.05 0.00 0.00 59.36 59.79 3fjd h GLU 104 Cb 0.60 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 27.70 3fjd h GLU 104 CO -0.15 0.00 -0.35 1.63 0.05 0.00 0.00 179.01 180.19 3fjd n LYS 105 N -2.94 0.78 -3.45 1.06 5.02 0.21 -4.97 118.16 113.87 3fjd n LYS 105 Ca 0.00 -0.51 -0.18 0.00 -2.02 0.00 0.00 58.31 55.61 3fjd n LYS 105 Cb 0.26 -1.49 0.09 0.00 -0.02 0.00 0.00 35.03 33.87 3fjd n LYS 105 CO 0.00 0.00 0.00 0.09 -0.52 0.00 0.00 177.40 176.97 3fjd n ASN 106 N -0.67 -2.23 -4.61 4.39 4.13 -0.89 -4.97 115.26 110.41 3fjd n ASN 106 Ca 0.11 -0.62 -0.39 0.00 1.68 0.00 0.00 54.58 55.35 3fjd n ASN 106 Cb 0.37 -5.08 -0.09 0.00 -1.54 0.00 0.00 39.78 33.43 3fjd n ASN 106 CO 0.00 0.00 0.00 0.26 0.28 0.00 0.00 177.26 177.80 3fjd s TRP 107 N -3.37 3.25 0.22 3.10 0.51 -1.25 -4.50 118.94 116.90 3fjd s TRP 107 Ca 0.03 0.38 0.07 0.00 -2.12 0.00 0.00 56.10 54.46 3fjd s TRP 107 Cb -0.01 -2.53 -0.04 0.00 -0.81 0.00 0.00 33.47 30.08 3fjd s TRP 107 CO 0.73 -0.19 0.09 -0.06 -0.51 0.00 0.00 176.95 177.01 3fjd s PHE 108 N 1.92 2.94 -0.20 -1.98 0.40 -1.26 -0.98 117.98 118.81 3fjd s PHE 108 Ca 0.14 -0.13 -0.27 0.00 -0.60 0.00 0.00 56.93 56.06 3fjd s PHE 108 Cb -0.16 -1.36 -0.00 0.00 0.51 0.00 0.00 43.02 42.02 3fjd s PHE 108 CO 0.10 0.55 0.93 0.08 0.70 0.00 0.00 175.22 177.58 3fjd s VAL 109 N -2.03 4.78 0.12 -0.44 1.01 -0.11 -4.53 120.40 119.20 3fjd s VAL 109 Ca 0.31 1.82 -0.16 0.00 0.00 0.00 0.00 61.98 63.94 3fjd s VAL 109 Cb -0.08 -4.22 0.04 0.00 0.00 0.00 0.00 36.38 32.11 3fjd s VAL 109 CO 0.22 -0.08 0.40 -0.83 0.00 0.00 0.00 175.10 174.81 3fjd s GLY 110 N 1.21 -0.28 0.03 4.51 0.00 -1.26 -4.57 107.32 106.97 3fjd s GLY 110 Ca 0.41 -0.01 0.06 0.00 0.00 0.00 0.00 44.72 45.18 3fjd s GLY 110 CO 0.09 -0.27 -0.18 1.08 0.00 0.00 0.00 173.10 173.82 3fjd s LEU 111 N -2.73 2.15 0.78 0.66 1.43 -0.91 -0.75 118.68 119.31 3fjd s LEU 111 Ca 0.02 -0.47 -0.11 0.00 -1.03 0.00 0.00 54.13 52.53 3fjd s LEU 111 Cb 0.02 -0.85 0.07 0.00 0.03 0.00 0.00 46.19 45.45 3fjd s LEU 111 CO -0.11 0.13 1.15 -0.54 0.23 0.00 0.00 176.35 177.20 3fjd s LYS 112 N -1.06 2.14 0.49 1.70 1.02 0.77 -4.46 119.74 120.34 3fjd s LYS 112 Ca 0.06 0.13 0.16 0.00 0.02 0.00 0.00 55.97 56.34 3fjd s LYS 112 Cb -0.08 -1.99 1.19 0.00 -0.52 0.00 0.00 37.83 36.43 3fjd s LYS 112 CO 0.01 -1.46 2.07 0.87 -0.92 0.00 0.00 175.35 175.93 3fjd h LYS 113 N -0.93 0.15 -0.01 1.68 1.57 -1.87 0.15 116.57 117.31 3fjd h LYS 113 Ca -0.46 -0.01 0.00 0.00 -1.87 0.00 0.00 60.65 58.31 3fjd h LYS 113 Cb 1.32 -0.03 0.00 0.00 0.08 0.00 0.00 32.23 33.59 3fjd h LYS 113 CO 0.65 0.10 0.00 0.27 -0.57 0.00 0.00 179.45 179.90 3fjd n ASN 114 N -4.48 0.10 0.00 0.86 0.23 -1.26 -4.58 115.26 106.13 3fjd n ASN 114 Ca 0.03 -1.30 0.00 0.00 -0.53 0.00 0.00 54.58 52.78 3fjd n ASN 114 Cb 0.25 -0.00 0.00 0.00 -2.08 0.00 0.00 39.78 37.95 3fjd n ASN 114 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 3fjd n GLY 115 N 0.88 0.78 3.89 4.83 0.00 0.04 -4.97 105.19 110.64 3fjd n GLY 115 Ca 0.17 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.90 3fjd n GLY 115 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3fjd s SER 116 N -2.69 6.45 0.47 1.61 1.04 -1.26 -0.08 113.70 119.23 3fjd s SER 116 Ca 0.00 0.98 -0.22 0.00 0.48 0.00 0.00 55.95 57.19 3fjd s SER 116 Cb 0.00 -2.26 -0.07 0.00 0.10 0.00 0.00 66.02 63.79 3fjd s SER 116 CO 0.00 -0.39 1.14 0.00 0.98 0.00 0.00 173.24 174.98 3fjd s LYS 118 N -2.78 3.55 -0.04 0.00 2.20 0.07 -4.70 119.74 118.05 3fjd s LYS 118 Ca 0.64 -0.23 -0.12 0.00 -0.36 0.00 0.00 55.97 55.90 3fjd s LYS 118 Cb -0.27 -2.75 -0.05 0.00 -1.51 0.00 0.00 37.83 33.25 3fjd s LYS 118 CO 0.32 0.30 0.33 1.03 -0.36 0.00 0.00 175.35 176.97 3fjd s ARG 119 N -3.55 3.78 0.24 4.03 0.52 -1.26 -4.65 118.95 118.06 3fjd s ARG 119 Ca 0.40 0.25 -0.14 0.00 -0.52 0.00 0.00 55.73 55.72 3fjd s ARG 119 Cb -0.11 -3.21 0.30 0.00 0.52 0.00 0.00 34.95 32.45 3fjd s ARG 119 CO 0.30 0.71 1.56 0.78 0.02 0.00 0.00 175.30 178.68 3fjd h GLY 120 N 4.81 0.30 1.99 -3.53 0.00 -0.64 0.11 103.07 106.11 3fjd h GLY 120 Ca -0.52 0.42 0.00 0.00 0.00 0.00 0.00 47.33 47.23 3fjd h GLY 120 CO 0.61 -0.27 0.00 -2.55 0.00 0.00 0.00 176.54 174.33 3fjd h PRO 121 N -0.02 0.00 -0.61 4.80 0.11 -1.84 -1.16 132.00 133.28 3fjd h PRO 121 Ca 0.38 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.49 3fjd h PRO 121 Cb 0.63 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.74 3fjd h PRO 121 CO -0.94 0.00 0.00 0.54 -0.21 0.00 0.00 178.00 177.39 3fjd n ARG 122 N -2.93 2.60 -4.21 1.05 5.12 0.37 -4.93 116.66 113.73 3fjd n ARG 122 Ca -0.03 -2.46 -0.23 0.00 -1.93 0.00 0.00 57.85 53.20 3fjd n ARG 122 Cb 0.07 -1.54 -0.06 0.00 -1.16 0.00 0.00 32.46 29.77 3fjd n ARG 122 CO 0.00 0.00 0.00 0.95 -1.93 0.00 0.00 177.63 176.65 3fjd s THR 123 N -1.19 3.90 -0.19 0.55 -4.23 -0.44 -4.91 115.64 109.14 3fjd s THR 123 Ca 0.45 -1.67 -0.32 0.00 -1.18 0.00 0.00 61.69 58.98 3fjd s THR 123 Cb 0.24 -3.09 0.14 0.00 1.34 0.00 0.00 72.50 71.14 3fjd s THR 123 CO 0.32 -0.35 1.16 -1.38 -0.54 0.00 0.00 174.62 173.83 3fjd s HIS 124 N -2.21 -0.19 0.36 3.99 -3.43 -1.26 -4.83 115.29 107.72 3fjd s HIS 124 Ca 0.32 0.23 -0.26 0.00 -0.80 0.00 0.00 55.06 54.55 3fjd s HIS 124 Cb -0.07 0.50 -0.12 0.00 -1.43 0.00 0.00 32.58 31.45 3fjd s HIS 124 CO 0.22 -0.23 0.98 0.66 -2.00 0.00 0.00 174.74 174.37 3fjd n TYR 125 N 0.24 1.13 0.00 0.38 4.01 -1.26 -2.68 117.16 118.97 3fjd n TYR 125 Ca -0.03 0.62 0.00 0.00 -0.16 0.00 0.00 57.90 58.33 3fjd n TYR 125 Cb 0.59 -2.23 0.00 0.00 -0.31 0.00 0.00 39.34 37.39 3fjd n TYR 125 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 3fjd n GLY 126 N 1.23 1.16 3.89 2.72 0.00 -1.26 -5.08 105.19 107.84 3fjd n GLY 126 Ca 0.09 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.82 3fjd n GLY 126 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 3fjd s GLN 127 N -0.91 3.70 0.21 1.61 -0.21 -1.09 -5.00 119.66 117.96 3fjd s GLN 127 Ca 0.00 0.31 0.15 0.00 0.02 0.00 0.00 55.36 55.84 3fjd s GLN 127 Cb 0.00 -2.44 -0.00 0.00 1.00 0.00 0.00 33.01 31.56 3fjd s GLN 127 CO 0.00 -0.02 1.25 0.87 -2.12 0.00 0.00 175.29 175.27 3fjd h LYS 128 N 1.12 0.00 0.00 2.91 1.79 -1.97 -3.31 116.57 117.11 3fjd h LYS 128 Ca -0.47 0.00 -0.01 0.00 -2.18 0.00 0.00 60.65 57.99 3fjd h LYS 128 Cb 1.19 0.00 -0.00 0.00 -1.58 0.00 0.00 32.23 31.84 3fjd h LYS 128 CO 0.64 0.44 -0.06 0.00 -1.08 0.00 0.00 179.45 179.39 3fjd h ALA 129 N 1.47 1.34 -0.02 3.86 0.00 -1.94 -2.37 119.26 121.61 3fjd h ALA 129 Ca -0.05 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 54.81 3fjd h ALA 129 Cb 1.44 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 19.22 3fjd h ALA 129 CO 0.06 0.07 -0.07 0.44 0.00 0.00 0.00 179.25 179.75 3fjd n ILE 130 N -3.65 0.00 -3.09 0.00 -5.35 -1.24 -2.15 119.36 103.88 3fjd n ILE 130 Ca -0.02 -0.28 -0.41 0.00 -0.27 0.00 0.00 62.75 61.77 3fjd n ILE 130 Cb 0.16 0.73 -0.06 0.00 -1.74 0.00 0.00 39.64 38.74 3fjd n ILE 130 CO 0.00 0.00 0.00 -0.76 -1.76 0.00 0.00 176.55 174.03 3fjd s LEU 131 N -2.11 4.07 0.10 7.28 1.43 -0.90 -4.45 118.68 124.10 3fjd s LEU 131 Ca 0.32 0.75 0.10 0.00 -1.03 0.00 0.00 54.13 54.28 3fjd s LEU 131 Cb 0.20 -2.89 -0.04 0.00 0.03 0.00 0.00 46.19 43.50 3fjd s LEU 131 CO 0.37 -0.38 -0.26 0.26 0.23 0.00 0.00 176.35 176.57 3fjd s TRP 132 N 2.51 2.33 -0.18 0.29 0.52 0.33 -1.41 118.94 123.33 3fjd s TRP 132 Ca 0.27 -0.38 0.01 0.00 0.02 0.00 0.00 56.10 56.02 3fjd s TRP 132 Cb -0.15 -1.31 0.03 0.00 -1.15 0.00 0.00 33.47 30.89 3fjd s TRP 132 CO 0.08 0.27 -0.14 -1.17 0.02 0.00 0.00 176.95 176.02 3fjd s LEU 133 N -1.78 2.16 0.23 2.99 2.96 0.17 -0.15 118.68 125.27 3fjd s LEU 133 Ca 0.13 -0.76 -0.30 0.00 -0.22 0.00 0.00 54.13 52.99 3fjd s LEU 133 Cb -0.10 -1.29 -0.09 0.00 0.50 0.00 0.00 46.19 45.21 3fjd s LEU 133 CO 0.05 -0.09 1.03 -2.16 -1.32 0.00 0.00 176.35 173.86 3fjd s PRO 134 N 1.38 4.71 0.01 0.98 0.04 -1.26 -1.29 135.00 139.57 3fjd s PRO 134 Ca 0.01 1.65 0.03 0.00 0.04 0.00 0.00 61.00 62.73 3fjd s PRO 134 Cb -0.15 -3.26 -0.01 0.00 0.04 0.00 0.00 34.50 31.12 3fjd s PRO 134 CO -0.10 0.29 -0.09 -0.51 0.04 0.00 0.00 177.00 176.64 3fjd s LEU 135 N -1.00 2.09 0.57 -3.56 1.43 -0.12 -4.95 118.68 113.14 3fjd s LEU 135 Ca 0.44 -0.27 -0.19 0.00 -1.03 0.00 0.00 54.13 53.09 3fjd s LEU 135 Cb -0.29 -0.37 -0.04 0.00 0.03 0.00 0.00 46.19 45.51 3fjd s LEU 135 CO 0.36 0.02 1.16 -2.16 0.23 0.00 0.00 176.35 175.95 3fjd s PRO 136 N -0.62 3.17 0.00 1.29 0.04 -1.26 0.10 135.00 137.72 3fjd s PRO 136 Ca 0.00 1.67 0.31 0.00 0.04 0.00 0.00 61.00 63.02 3fjd s PRO 136 Cb -0.05 -1.97 1.59 0.00 0.04 0.00 0.00 34.50 34.11 3fjd s PRO 136 CO 0.00 -1.01 2.05 1.33 0.04 0.00 0.00 177.00 179.41