#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2fjr n SER 5 N 0.00 0.00 -0.64 -2.24 2.88 -1.26 -5.03 113.62 107.34 2fjr n SER 5 Ca 0.00 0.00 0.04 0.00 -1.33 0.00 0.00 58.87 57.58 2fjr n SER 5 Cb 0.00 0.00 0.12 0.00 -0.75 0.00 0.00 64.21 63.58 2fjr n SER 5 CO 0.00 0.00 0.00 0.18 -1.23 0.00 0.00 175.04 173.99 2fjr n LEU 6 N 0.00 1.78 -1.97 2.46 4.32 -1.26 -4.91 117.00 117.42 2fjr n LEU 6 Ca 0.00 -0.90 -0.08 0.00 -0.02 0.00 0.00 56.01 55.01 2fjr n LEU 6 Cb 0.00 -0.29 0.04 0.00 -1.62 0.00 0.00 43.42 41.55 2fjr n LEU 6 CO 0.00 0.36 0.06 0.61 -1.22 0.00 0.00 177.39 177.20 2fjr n GLY 7 N 0.71 0.16 3.93 -0.72 0.00 -1.26 -5.05 105.19 102.96 2fjr n GLY 7 Ca 0.09 -0.25 -0.27 0.00 0.00 0.00 0.00 46.02 45.59 2fjr n GLY 7 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 2fjr s TRP 8 N -3.15 3.48 -0.23 1.61 0.51 -1.26 -5.08 118.94 114.82 2fjr s TRP 8 Ca 0.07 0.32 -0.18 0.00 -2.12 0.00 0.00 56.10 54.20 2fjr s TRP 8 Cb -0.03 -1.84 -0.03 0.00 -0.81 0.00 0.00 33.47 30.76 2fjr s TRP 8 CO 0.31 0.40 0.51 0.45 -0.51 0.00 0.00 176.95 178.11 2fjr s SER 9 N -3.12 6.48 0.04 2.95 0.15 -1.26 -4.95 113.70 113.99 2fjr s SER 9 Ca 0.38 0.58 -0.26 0.00 0.70 0.00 0.00 55.95 57.35 2fjr s SER 9 Cb -0.11 -2.28 -0.17 0.00 -1.71 0.00 0.00 66.02 61.75 2fjr s SER 9 CO 0.29 -0.23 1.47 -0.55 1.20 0.00 0.00 173.24 175.41 2fjr h ASN 10 N 7.77 -0.28 -0.83 5.45 -1.07 -1.88 -1.78 115.58 122.96 2fjr h ASN 10 Ca -0.31 -0.13 0.07 0.00 0.07 0.00 0.00 56.30 56.01 2fjr h ASN 10 Cb 1.15 0.07 -0.05 0.00 -2.07 0.00 0.00 38.32 37.41 2fjr h ASN 10 CO 0.72 -0.04 0.54 0.58 0.07 0.00 0.00 177.43 179.31 2fjr h VAL 11 N -0.52 1.03 -0.16 6.14 2.07 -1.86 0.11 116.25 123.05 2fjr h VAL 11 Ca -0.03 -0.30 -0.00 0.00 0.82 0.00 0.00 66.70 67.18 2fjr h VAL 11 Cb 0.39 0.06 -0.01 0.00 -1.52 0.00 0.00 31.29 30.21 2fjr h VAL 11 CO 0.06 0.16 0.08 0.44 0.02 0.00 0.00 177.57 178.33 2fjr h ASP 12 N 0.89 0.20 -0.68 0.57 5.19 -1.94 -0.57 116.42 120.09 2fjr h ASP 12 Ca 0.36 -0.10 -0.06 0.00 -0.62 0.00 0.00 57.03 56.61 2fjr h ASP 12 Cb 0.27 -0.05 -0.03 0.00 0.18 0.00 0.00 39.33 39.70 2fjr h ASP 12 CO -0.13 0.25 0.20 0.58 -3.12 0.00 0.00 179.24 177.02 2fjr h VAL 13 N 0.14 1.26 -0.18 -1.35 2.07 -0.44 0.50 116.25 118.25 2fjr h VAL 13 Ca 0.06 -0.89 -0.04 0.00 0.82 0.00 0.00 66.70 66.65 2fjr h VAL 13 Cb 0.10 0.54 -0.01 0.00 -1.52 0.00 0.00 31.29 30.40 2fjr h VAL 13 CO -0.01 0.34 -0.05 -0.07 0.02 0.00 0.00 177.57 177.80 2fjr h LEU 14 N 1.00 0.24 0.04 2.57 3.38 -0.59 -0.44 115.31 121.52 2fjr h LEU 14 Ca 0.22 -0.04 -0.15 0.00 0.09 0.00 0.00 57.88 58.00 2fjr h LEU 14 Cb 0.32 -0.06 -0.01 0.00 0.09 0.00 0.00 40.66 40.99 2fjr h LEU 14 CO -0.00 0.34 -0.79 0.44 0.09 0.00 0.00 178.44 178.51 2fjr h ASP 15 N 0.25 0.14 0.00 -0.43 3.32 -0.67 -3.06 116.42 115.98 2fjr h ASP 15 Ca 0.06 -0.82 0.00 0.00 0.02 0.00 0.00 57.03 56.29 2fjr h ASP 15 Cb 0.27 -0.05 0.00 0.00 0.22 0.00 0.00 39.33 39.77 2fjr h ASP 15 CO 0.01 1.33 0.07 -0.09 -1.72 0.00 0.00 179.24 178.84 2fjr h ARG 16 N -0.76 0.00 0.12 3.56 2.43 0.07 0.88 114.38 120.67 2fjr h ARG 16 Ca -0.19 0.00 -0.27 0.00 -0.81 0.00 0.00 59.98 58.71 2fjr h ARG 16 Cb 1.34 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.90 2fjr h ARG 16 CO -0.03 0.00 -1.22 0.82 -1.51 0.00 0.00 179.97 178.03 2fjr h ILE 17 N 0.00 1.49 -0.36 1.20 2.04 -1.13 -3.02 117.51 117.74 2fjr h ILE 17 Ca 0.00 -3.02 -0.05 0.00 1.00 0.00 0.00 64.86 62.79 2fjr h ILE 17 Cb 0.13 2.91 -0.01 0.00 -0.74 0.00 0.00 36.82 39.11 2fjr h ILE 17 CO 0.00 0.88 0.02 0.00 0.00 0.00 0.00 178.15 179.05 2fjr h GLU 19 N 0.45 0.75 0.14 0.00 4.81 -1.31 1.90 114.58 121.32 2fjr h GLU 19 Ca 0.10 -0.05 -0.00 0.00 -0.13 0.00 0.00 59.36 59.29 2fjr h GLU 19 Cb 0.42 -0.17 -0.02 0.00 0.63 0.00 0.00 28.75 29.62 2fjr h GLU 19 CO 0.01 0.50 -0.23 0.00 -0.73 0.00 0.00 179.01 178.56 2fjr h ALA 20 N 1.32 -0.84 -0.61 2.92 0.00 -1.34 -1.72 119.26 118.98 2fjr h ALA 20 Ca 0.29 -0.07 0.08 0.00 0.00 0.00 0.00 54.91 55.21 2fjr h ALA 20 Cb 0.10 0.56 -0.06 0.00 0.00 0.00 0.00 17.79 18.38 2fjr h ALA 20 CO -0.14 -0.88 0.28 1.88 0.00 0.00 0.00 179.25 180.39 2fjr h TYR 21 N -0.40 0.50 0.00 0.00 -1.99 -1.05 -3.47 116.97 110.57 2fjr h TYR 21 Ca -0.02 0.03 0.00 0.00 2.00 0.00 0.00 58.73 60.74 2fjr h TYR 21 Cb 0.37 -0.13 0.00 0.00 2.00 0.00 0.00 36.73 38.96 2fjr h TYR 21 CO -0.26 0.18 0.00 0.41 -0.00 0.00 0.00 178.16 178.50 2fjr n GLY 22 N -1.28 1.04 3.97 3.88 0.00 0.59 -5.01 105.19 108.38 2fjr n GLY 22 Ca 0.08 0.00 -0.19 0.00 0.00 0.00 0.00 46.02 45.91 2fjr n GLY 22 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 2fjr s PHE 23 N -2.00 2.97 0.00 1.61 0.08 0.18 -4.96 117.98 115.86 2fjr s PHE 23 Ca 0.00 -0.30 0.00 0.00 0.12 0.00 0.00 56.93 56.75 2fjr s PHE 23 Cb 0.00 -2.10 0.00 0.00 -0.57 0.00 0.00 43.02 40.35 2fjr s PHE 23 CO 0.00 -0.12 0.00 0.43 -0.10 0.00 0.00 175.22 175.43 2fjr n SER 24 N -1.67 2.80 -4.61 1.36 7.64 -1.26 -4.46 113.62 113.41 2fjr n SER 24 Ca 0.02 0.00 -0.31 0.00 1.01 0.00 0.00 58.87 59.60 2fjr n SER 24 Cb 0.59 0.42 -0.10 0.00 -1.01 0.00 0.00 64.21 64.11 2fjr n SER 24 CO 0.00 0.00 0.00 -1.10 -3.01 0.00 0.00 175.04 170.93 2fjr s GLN 25 N -1.35 2.41 0.00 1.43 -0.21 -1.26 -5.02 119.66 115.66 2fjr s GLN 25 Ca 0.00 -0.85 0.31 0.00 0.02 0.00 0.00 55.36 54.83 2fjr s GLN 25 Cb 0.00 -2.44 1.67 0.00 1.00 0.00 0.00 33.01 33.23 2fjr s GLN 25 CO 0.00 0.55 2.12 1.63 -2.12 0.00 0.00 175.29 177.47 2fjr n LYS 26 N 1.02 0.65 0.03 2.91 5.02 -1.26 -2.30 118.16 124.23 2fjr n LYS 26 Ca -0.14 -0.00 0.12 0.00 -2.02 0.00 0.00 58.31 56.27 2fjr n LYS 26 Cb 0.52 -1.50 0.30 0.00 -0.02 0.00 0.00 35.03 34.33 2fjr n LYS 26 CO 0.00 0.00 0.00 1.51 -0.52 0.00 0.00 177.40 178.39 2fjr n ILE 27 N -1.17 0.19 0.96 -0.18 0.13 -1.26 -3.44 119.36 114.59 2fjr n ILE 27 Ca 0.18 -0.13 0.00 0.00 -1.10 0.00 0.00 62.75 61.70 2fjr n ILE 27 Cb 0.19 -0.09 0.00 0.00 -0.84 0.00 0.00 39.64 38.90 2fjr n ILE 27 CO 0.00 0.00 0.00 0.00 2.80 0.00 0.00 176.55 179.35 2fjr n GLN 28 N -1.80 0.96 0.00 9.51 6.02 -0.97 -3.84 117.38 127.26 2fjr n GLN 28 Ca 0.05 0.00 0.00 0.00 -0.01 0.00 0.00 57.00 57.04 2fjr n GLN 28 Cb 0.38 -1.44 0.00 0.00 1.02 0.00 0.00 30.24 30.20 2fjr n GLN 28 CO 0.00 0.00 0.00 1.28 -1.01 0.00 0.00 177.06 177.33 2fjr n LEU 29 N 0.06 0.00 -0.07 1.08 4.32 -1.22 -4.78 117.00 116.39 2fjr n LEU 29 Ca 0.00 0.01 -0.11 0.00 -0.02 0.00 0.00 56.01 55.90 2fjr n LEU 29 Cb 0.26 0.01 -0.05 0.00 -1.62 0.00 0.00 43.42 42.02 2fjr n LEU 29 CO 0.00 -0.42 0.59 0.00 -1.22 0.00 0.00 177.39 176.34 2fjr h ALA 30 N 0.00 -0.47 -0.27 -1.18 0.00 -1.67 -1.57 119.26 114.10 2fjr h ALA 30 Ca 0.00 0.03 -0.11 0.00 0.00 0.00 0.00 54.91 54.83 2fjr h ALA 30 Cb 0.18 0.81 -0.01 0.00 0.00 0.00 0.00 17.79 18.77 2fjr h ALA 30 CO 0.00 -0.87 -0.30 -0.91 0.00 0.00 0.00 179.25 177.17 2fjr h ASN 31 N -0.39 0.56 -0.36 0.00 2.35 -1.74 0.23 115.58 116.23 2fjr h ASN 31 Ca 0.11 -0.21 0.08 0.00 -0.55 0.00 0.00 56.30 55.73 2fjr h ASN 31 Cb 0.59 -0.15 -0.08 0.00 0.05 0.00 0.00 38.32 38.73 2fjr h ASN 31 CO -0.48 0.83 -0.25 -0.74 -1.65 0.00 0.00 177.43 175.14 2fjr h HIS 32 N 0.47 -0.66 -0.44 1.19 2.76 -1.60 0.98 115.15 117.86 2fjr h HIS 32 Ca 0.06 0.05 0.00 0.00 -2.20 0.00 0.00 60.37 58.28 2fjr h HIS 32 Cb 0.75 0.34 0.00 0.00 1.55 0.00 0.00 27.41 30.06 2fjr h HIS 32 CO 0.03 -0.32 0.00 1.19 -1.30 0.00 0.00 177.93 177.52 2fjr n PHE 33 N -5.39 0.58 -3.52 5.26 3.01 -0.73 -4.95 117.46 111.73 2fjr n PHE 33 Ca 0.01 -0.29 -0.19 0.00 1.01 0.00 0.00 57.45 57.99 2fjr n PHE 33 Cb 0.31 0.00 0.06 0.00 -0.01 0.00 0.00 39.48 39.84 2fjr n PHE 33 CO 0.00 0.00 0.00 -0.25 1.01 0.00 0.00 176.76 177.52 2fjr n ASP 34 N 0.82 -2.79 -4.27 4.37 8.00 0.34 -5.03 116.55 117.99 2fjr n ASP 34 Ca 0.15 -0.74 -0.26 0.00 0.71 0.00 0.00 54.79 54.65 2fjr n ASP 34 Cb 0.39 -4.61 -0.14 0.00 -0.02 0.00 0.00 41.12 36.74 2fjr n ASP 34 CO 0.00 0.00 0.00 0.27 -0.39 0.00 0.00 177.20 177.08 2fjr s ILE 35 N -3.49 1.74 0.28 0.53 -4.36 0.74 -5.00 121.20 111.65 2fjr s ILE 35 Ca 0.12 -1.28 -0.29 0.00 -0.26 0.00 0.00 60.65 58.93 2fjr s ILE 35 Cb -0.02 -1.52 -0.10 0.00 1.25 0.00 0.00 42.46 42.07 2fjr s ILE 35 CO 0.77 0.18 1.41 0.00 0.24 0.00 0.00 174.94 177.55 2fjr s ALA 36 N -0.86 3.59 0.45 2.27 0.00 -1.26 -4.27 121.76 121.68 2fjr s ALA 36 Ca 0.08 1.34 0.30 0.00 0.00 0.00 0.00 51.96 53.68 2fjr s ALA 36 Cb -0.09 -3.54 1.39 0.00 0.00 0.00 0.00 23.12 20.87 2fjr s ALA 36 CO 0.02 -0.75 1.68 0.77 0.00 0.00 0.00 175.76 177.48 2fjr h SER 37 N 4.38 0.24 -0.56 0.00 0.02 -2.00 0.84 113.55 116.48 2fjr h SER 37 Ca -0.47 0.09 -0.07 0.00 -0.84 0.00 0.00 61.79 60.50 2fjr h SER 37 Cb 1.22 0.07 -0.02 0.00 0.14 0.00 0.00 62.40 63.81 2fjr h SER 37 CO 0.73 -0.07 0.08 0.77 -1.14 0.00 0.00 176.83 177.21 2fjr h SER 38 N 0.15 0.89 -0.81 3.07 4.64 -2.00 -1.37 113.55 118.11 2fjr h SER 38 Ca 0.74 -0.26 -0.01 0.00 -0.47 0.00 0.00 61.79 61.78 2fjr h SER 38 Cb 2.36 -0.24 -0.04 0.00 -0.31 0.00 0.00 62.40 64.17 2fjr h SER 38 CO -0.29 0.93 0.47 0.28 -0.87 0.00 0.00 176.83 177.35 2fjr h SER 39 N 0.82 1.00 -0.29 4.97 0.02 0.35 -2.66 113.55 117.76 2fjr h SER 39 Ca 0.17 -0.07 -0.14 0.00 -0.84 0.00 0.00 61.79 60.91 2fjr h SER 39 Cb 0.42 -0.25 -0.01 0.00 0.14 0.00 0.00 62.40 62.70 2fjr h SER 39 CO 0.01 0.79 -0.33 0.25 -1.14 0.00 0.00 176.83 176.41 2fjr h LEU 40 N 1.14 0.86 -1.24 5.07 6.46 -1.06 -2.75 115.31 123.80 2fjr h LEU 40 Ca 0.29 -0.37 -0.03 0.00 -0.12 0.00 0.00 57.88 57.66 2fjr h LEU 40 Cb -0.01 -0.24 -0.02 0.00 -0.73 0.00 0.00 40.66 39.66 2fjr h LEU 40 CO -0.05 1.12 0.17 0.77 -0.62 0.00 0.00 178.44 179.82 2fjr h SER 41 N 0.69 0.63 -0.89 1.25 4.64 -0.99 -1.45 113.55 117.43 2fjr h SER 41 Ca 0.07 -0.08 0.07 0.00 -0.47 0.00 0.00 61.79 61.38 2fjr h SER 41 Cb 0.89 -0.16 -0.07 0.00 -0.31 0.00 0.00 62.40 62.75 2fjr h SER 41 CO 0.08 0.59 0.55 0.78 -0.87 0.00 0.00 176.83 177.97 2fjr h ASN 42 N 0.68 0.86 0.08 4.97 4.21 -1.19 0.11 115.58 125.30 2fjr h ASN 42 Ca 0.16 0.02 -0.05 0.00 1.21 0.00 0.00 56.30 57.65 2fjr h ASN 42 Cb 0.17 -0.16 -0.01 0.00 -1.12 0.00 0.00 38.32 37.21 2fjr h ASN 42 CO -0.01 0.54 -0.16 0.03 -1.29 0.00 0.00 177.43 176.54 2fjr h ARG 43 N 0.99 0.17 0.01 0.81 3.08 -1.10 -1.35 114.38 116.99 2fjr h ARG 43 Ca 0.40 -0.04 -0.19 0.00 0.07 0.00 0.00 59.98 60.21 2fjr h ARG 43 Cb 0.21 -0.02 -0.02 0.00 0.08 0.00 0.00 29.97 30.22 2fjr h ARG 43 CO -0.19 0.33 -0.89 1.88 -1.07 0.00 0.00 179.97 180.03 2fjr h TYR 44 N 0.16 0.14 0.00 3.04 -1.99 -0.58 -3.38 116.97 114.36 2fjr h TYR 44 Ca 0.03 -0.08 0.00 0.00 2.00 0.00 0.00 58.73 60.68 2fjr h TYR 44 Cb 0.38 -0.01 0.00 0.00 2.00 0.00 0.00 36.73 39.10 2fjr h TYR 44 CO 0.00 0.93 0.00 2.41 -0.00 0.00 0.00 178.16 181.51 2fjr n THR 45 N -3.57 0.00 -1.72 -2.88 -1.04 0.19 -4.58 114.28 100.67 2fjr n THR 45 Ca -0.02 0.88 -0.39 0.00 -2.04 0.00 0.00 64.05 62.48 2fjr n THR 45 Cb 0.83 -1.86 0.04 0.00 -1.82 0.00 0.00 70.33 67.52 2fjr n THR 45 CO 0.00 0.00 0.00 -2.11 -0.64 0.00 0.00 175.07 172.32 2fjr n ARG 46 N -1.96 1.61 0.07 -2.82 0.00 -0.58 -4.91 116.66 108.06 2fjr n ARG 46 Ca 0.00 0.59 0.11 0.00 -0.00 0.00 0.00 57.85 58.55 2fjr n ARG 46 Cb 0.00 -2.50 0.43 0.00 -0.00 0.00 0.00 32.46 30.39 2fjr n ARG 46 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.63 178.04 2fjr n GLY 47 N 0.83 -1.26 3.64 2.89 0.00 -1.26 -4.78 105.19 105.25 2fjr n GLY 47 Ca 0.10 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.70 2fjr n GLY 47 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2fjr s ALA 48 N -3.14 3.27 0.32 4.61 0.00 -1.26 -4.43 121.76 121.13 2fjr s ALA 48 Ca 0.07 0.90 -0.29 0.00 0.00 0.00 0.00 51.96 52.64 2fjr s ALA 48 Cb 0.11 -3.90 -0.11 0.00 0.00 0.00 0.00 23.12 19.22 2fjr s ALA 48 CO 0.39 -1.98 1.54 0.42 0.00 0.00 0.00 175.76 176.13 2fjr s ILE 49 N 5.63 2.08 -1.34 0.00 -1.09 -1.26 -4.89 121.20 120.33 2fjr s ILE 49 Ca 0.85 0.08 -0.15 0.00 -2.23 0.00 0.00 60.65 59.20 2fjr s ILE 49 Cb -0.34 -3.05 0.09 0.00 -1.58 0.00 0.00 42.46 37.58 2fjr s ILE 49 CO 0.35 0.01 1.87 -1.20 -1.23 0.00 0.00 174.94 174.75 2fjr n SER 50 N 1.50 4.65 0.23 3.58 7.64 -1.26 -4.70 113.62 125.26 2fjr n SER 50 Ca 0.05 -2.92 0.06 0.00 1.01 0.00 0.00 58.87 57.07 2fjr n SER 50 Cb 0.38 -1.66 0.52 0.00 -1.01 0.00 0.00 64.21 62.44 2fjr n SER 50 CO 0.00 0.00 0.00 1.88 -3.01 0.00 0.00 175.04 173.91 2fjr h TYR 51 N 6.79 0.00 -0.67 1.43 -1.99 -1.99 -1.83 116.97 118.71 2fjr h TYR 51 Ca 0.46 0.00 -0.06 0.00 2.00 0.00 0.00 58.73 61.13 2fjr h TYR 51 Cb 0.77 0.00 -0.03 0.00 2.00 0.00 0.00 36.73 39.47 2fjr h TYR 51 CO 1.37 0.17 0.18 0.38 -0.00 0.00 0.00 178.16 180.27 2fjr h ASP 52 N 0.00 0.97 0.18 3.88 3.04 -2.00 -0.84 116.42 121.65 2fjr h ASP 52 Ca -0.00 -0.19 -0.23 0.00 -3.24 0.00 0.00 57.03 53.37 2fjr h ASP 52 Cb 0.31 -0.25 0.01 0.00 -1.04 0.00 0.00 39.33 38.36 2fjr h ASP 52 CO 0.02 0.92 -0.92 -0.26 -2.04 0.00 0.00 179.24 176.97 2fjr h PHE 53 N 0.99 0.78 -0.81 4.15 -1.00 -1.79 -2.05 116.94 117.20 2fjr h PHE 53 Ca 0.21 -0.40 -0.04 0.00 2.81 0.00 0.00 57.97 60.55 2fjr h PHE 53 Cb 0.32 -0.10 -0.04 0.00 3.61 0.00 0.00 35.95 39.75 2fjr h PHE 53 CO 0.02 1.22 0.35 0.00 -1.61 0.00 0.00 178.31 178.29 2fjr h ALA 54 N 0.65 1.08 0.05 2.45 0.00 -1.17 0.10 119.26 122.42 2fjr h ALA 54 Ca -0.08 -0.18 -0.00 0.00 0.00 0.00 0.00 54.91 54.64 2fjr h ALA 54 Cb 1.55 -0.32 0.00 0.00 0.00 0.00 0.00 17.79 19.02 2fjr h ALA 54 CO 0.17 0.67 -0.02 0.00 0.00 0.00 0.00 179.25 180.06 2fjr h ALA 55 N 1.20 -0.07 0.00 0.00 0.00 -1.13 -1.20 119.26 118.06 2fjr h ALA 55 Ca 0.27 -0.23 -0.04 0.00 0.00 0.00 0.00 54.91 54.92 2fjr h ALA 55 Cb 0.18 0.03 -0.01 0.00 0.00 0.00 0.00 17.79 17.99 2fjr h ALA 55 CO -0.03 -0.30 -0.19 0.45 0.00 0.00 0.00 179.25 179.18 2fjr h HIS 56 N -0.53 0.00 -0.21 0.00 -0.00 -1.26 0.11 115.15 113.27 2fjr h HIS 56 Ca -0.01 0.00 -0.10 0.00 -0.00 0.00 0.00 60.37 60.26 2fjr h HIS 56 Cb 0.47 0.00 -0.00 0.00 -0.00 0.00 0.00 27.41 27.88 2fjr h HIS 56 CO 0.08 0.19 -0.26 0.00 -0.00 0.00 0.00 177.93 177.93 2fjr h ALA 58 N 0.63 1.10 -0.00 0.00 0.00 -0.47 0.48 119.26 121.00 2fjr h ALA 58 Ca 0.03 -0.12 -0.00 0.00 0.00 0.00 0.00 54.91 54.81 2fjr h ALA 58 Cb 0.83 -0.34 0.00 0.00 0.00 0.00 0.00 17.79 18.28 2fjr h ALA 58 CO 0.06 0.60 -0.01 -0.07 0.00 0.00 0.00 179.25 179.83 2fjr h LEU 59 N 1.20 0.01 -0.74 0.00 3.38 -0.60 -1.59 115.31 116.97 2fjr h LEU 59 Ca 0.30 -0.71 -0.11 0.00 0.09 0.00 0.00 57.88 57.45 2fjr h LEU 59 Cb 0.01 -0.00 -0.01 0.00 0.09 0.00 0.00 40.66 40.74 2fjr h LEU 59 CO -0.05 0.72 -0.23 -0.33 0.09 0.00 0.00 178.44 178.64 2fjr h GLU 60 N -0.70 0.71 0.00 1.13 5.08 0.62 -3.31 114.58 118.11 2fjr h GLU 60 Ca -0.00 -0.28 0.00 0.00 -1.00 0.00 0.00 59.36 58.07 2fjr h GLU 60 Cb 0.72 -0.03 0.00 0.00 0.50 0.00 0.00 28.75 29.93 2fjr h GLU 60 CO 0.00 0.88 -0.73 0.25 -1.00 0.00 0.00 179.01 178.41 2fjr n THR 61 N -4.11 0.00 -0.75 1.13 -2.24 0.15 -4.59 114.28 103.87 2fjr n THR 61 Ca 0.00 -0.19 0.00 0.00 -2.27 0.00 0.00 64.05 61.59 2fjr n THR 61 Cb 0.43 0.93 0.00 0.00 -2.10 0.00 0.00 70.33 69.59 2fjr n THR 61 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2fjr n GLY 62 N 1.35 1.47 3.72 3.38 0.00 -0.60 -5.00 105.19 109.52 2fjr n GLY 62 Ca 0.02 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.67 2fjr n GLY 62 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2fjr n ALA 63 N 0.73 1.11 -1.97 4.61 0.00 -1.24 -4.93 120.51 118.82 2fjr n ALA 63 Ca 0.00 -0.01 -0.42 0.00 0.00 0.00 0.00 53.44 53.02 2fjr n ALA 63 Cb 0.00 -2.32 -0.03 0.00 0.00 0.00 0.00 19.45 17.10 2fjr n ALA 63 CO 0.00 0.00 0.00 1.21 0.00 0.00 0.00 177.50 178.71 2fjr s ASN 64 N -1.39 6.76 0.06 0.00 2.47 -1.26 -4.40 114.94 117.18 2fjr s ASN 64 Ca 0.83 2.52 -0.17 0.00 0.42 0.00 0.00 52.86 56.46 2fjr s ASN 64 Cb -0.38 -2.61 -0.15 0.00 -1.45 0.00 0.00 41.25 36.66 2fjr s ASN 64 CO 0.40 -0.64 1.30 0.25 -3.72 0.00 0.00 177.10 174.69 2fjr h LEU 65 N 5.56 0.67 -0.60 3.21 5.85 -1.92 -1.43 115.31 126.66 2fjr h LEU 65 Ca -0.45 -0.58 0.11 0.00 0.84 0.00 0.00 57.88 57.81 2fjr h LEU 65 Cb 1.21 -0.19 -0.09 0.00 0.37 0.00 0.00 40.66 41.97 2fjr h LEU 65 CO 0.80 1.12 0.13 -0.61 -0.34 0.00 0.00 178.44 179.54 2fjr h GLN 66 N 0.24 0.25 -0.26 1.25 5.75 -1.94 -1.98 115.11 118.42 2fjr h GLN 66 Ca -0.01 -0.02 -0.06 0.00 -0.15 0.00 0.00 58.65 58.42 2fjr h GLN 66 Cb 1.04 -0.06 -0.01 0.00 1.07 0.00 0.00 27.48 29.52 2fjr h GLN 66 CO 0.09 0.17 -0.06 2.35 -2.65 0.00 0.00 178.83 178.73 2fjr h TRP 67 N 0.26 0.56 -0.53 3.99 7.01 -1.80 -1.40 115.95 124.04 2fjr h TRP 67 Ca 0.31 -0.12 0.13 0.00 2.11 0.00 0.00 58.89 61.32 2fjr h TRP 67 Cb 0.46 -0.14 -0.03 0.00 -2.10 0.00 0.00 29.16 27.36 2fjr h TRP 67 CO -0.25 0.71 0.37 -0.07 -2.79 0.00 0.00 178.44 176.41 2fjr h LEU 68 N 0.25 0.14 0.00 0.65 3.38 -0.60 -2.51 115.31 116.62 2fjr h LEU 68 Ca 0.07 0.01 -0.24 0.00 0.09 0.00 0.00 57.88 57.80 2fjr h LEU 68 Cb 0.53 -0.02 -0.04 0.00 0.09 0.00 0.00 40.66 41.21 2fjr h LEU 68 CO 0.03 0.08 -1.85 0.18 0.09 0.00 0.00 178.44 176.97 2fjr n LEU 69 N -4.43 0.50 0.00 1.67 4.77 -0.81 -4.58 117.00 114.11 2fjr n LEU 69 Ca 0.09 0.23 0.00 0.00 -0.03 0.00 0.00 56.01 56.30 2fjr n LEU 69 Cb 0.49 0.22 0.00 0.00 -2.33 0.00 0.00 43.42 41.80 2fjr n LEU 69 CO 0.35 0.29 0.00 0.35 -1.33 0.00 0.00 177.39 177.06 2fjr n THR 70 N -2.81 0.00 -3.11 -5.08 -2.24 -0.54 -4.89 114.28 95.62 2fjr n THR 70 Ca -0.18 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.60 2fjr n THR 70 Cb 0.96 0.00 0.00 0.00 -2.10 0.00 0.00 70.33 69.19 2fjr n THR 70 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2fjr n GLY 71 N 0.00 0.88 0.00 3.38 0.00 -1.23 -4.78 105.19 103.43 2fjr n GLY 71 Ca 0.00 -0.72 0.00 0.00 0.00 0.00 0.00 46.02 45.30 2fjr n GLY 71 CO 0.00 0.00 0.00 -1.84 0.00 0.00 0.00 173.32 171.48 2fjr n GLU 72 N 0.00 0.00 0.00 1.61 0.28 -1.26 -4.98 120.64 116.29 2fjr n GLU 72 Ca 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 57.16 57.00 2fjr n GLU 72 Cb 0.00 0.00 0.00 0.00 1.43 0.00 0.00 31.44 32.87 2fjr n GLU 72 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 177.13 177.38 2fjr n GLY 73 N 0.00 0.00 2.37 -1.84 0.00 -1.26 -5.06 105.19 99.40 2fjr n GLY 73 Ca 0.00 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.67 2fjr n GLY 73 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 2fjr n GLU 74 N 0.00 2.70 0.00 1.61 4.71 -1.26 -4.79 120.64 123.61 2fjr n GLU 74 Ca 0.00 -3.31 0.00 0.00 -0.01 0.00 0.00 57.16 53.84 2fjr n GLU 74 Cb 0.00 -2.29 0.00 0.00 -1.01 0.00 0.00 31.44 28.14 2fjr n GLU 74 CO 0.00 0.00 0.00 0.00 0.09 0.00 0.00 177.13 177.22 2fjr n ALA 75 N -0.89 0.00 -2.25 0.62 0.00 -1.26 -4.61 120.51 112.12 2fjr n ALA 75 Ca 0.62 0.00 0.00 0.00 0.00 0.00 0.00 53.44 54.06 2fjr n ALA 75 Cb 0.63 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.08 2fjr n ALA 75 CO 0.00 0.00 0.00 1.97 0.00 0.00 0.00 177.50 179.47 2fjr n PHE 76 N 0.00 0.00 -3.34 0.00 -0.00 -1.26 -4.27 117.46 108.58 2fjr n PHE 76 Ca 0.00 0.00 -0.13 0.00 -0.00 0.00 0.00 57.45 57.32 2fjr n PHE 76 Cb 0.00 0.00 -0.07 0.00 -0.00 0.00 0.00 39.48 39.41 2fjr n PHE 76 CO 0.00 0.00 0.00 0.08 -0.00 0.00 0.00 176.76 176.84 2fjr s VAL 77 N 2.60 -0.53 -0.05 1.97 1.01 -1.26 -4.99 120.40 119.15 2fjr s VAL 77 Ca 0.00 -0.42 0.11 0.00 0.00 0.00 0.00 61.98 61.67 2fjr s VAL 77 Cb 0.00 -0.96 -0.17 0.00 0.00 0.00 0.00 36.38 35.26 2fjr s VAL 77 CO 0.00 -0.38 0.18 -0.46 0.00 0.00 0.00 175.10 174.44 2fjr n ASN 78 N 5.25 2.31 -0.38 3.32 6.94 -1.26 -4.13 115.26 127.31 2fjr n ASN 78 Ca 0.00 0.00 0.33 0.00 -0.02 0.00 0.00 54.58 54.90 2fjr n ASN 78 Cb 0.48 1.27 0.66 0.00 -2.36 0.00 0.00 39.78 39.83 2fjr n ASN 78 CO 0.00 0.00 0.00 0.78 -1.03 0.00 0.00 177.26 177.01 2fjr h ASN 79 N 0.00 0.18 0.00 0.53 2.35 -1.94 -3.45 115.58 113.25 2fjr h ASN 79 Ca -0.10 0.05 0.00 0.00 -0.55 0.00 0.00 56.30 55.70 2fjr h ASN 79 Cb 0.93 0.02 0.00 0.00 0.05 0.00 0.00 38.32 39.33 2fjr h ASN 79 CO 0.01 -0.00 0.00 -1.14 -1.65 0.00 0.00 177.43 174.64 2fjr n ARG 80 N -4.39 0.00 -2.72 0.81 0.63 -1.26 -5.09 116.66 104.64 2fjr n ARG 80 Ca 0.29 0.00 -0.42 0.00 -0.92 0.00 0.00 57.85 56.80 2fjr n ARG 80 Cb 1.23 0.00 -0.03 0.00 0.45 0.00 0.00 32.46 34.11 2fjr n ARG 80 CO 0.00 0.00 0.00 -1.83 -2.51 0.00 0.00 177.63 173.29 2fjr s GLU 81 N 3.93 3.37 0.03 -0.14 -1.05 -1.26 -4.62 118.70 118.95 2fjr s GLU 81 Ca 0.00 -0.98 -0.06 0.00 -0.15 0.00 0.00 54.97 53.78 2fjr s GLU 81 Cb 0.00 -4.67 -0.01 0.00 -0.44 0.00 0.00 34.13 29.00 2fjr s GLU 81 CO 0.00 -1.99 1.10 0.66 0.95 0.00 0.00 175.26 175.98 2fjr h SER 82 N 9.57 -0.40 0.00 0.83 4.64 -1.95 -3.17 113.55 123.07 2fjr h SER 82 Ca -0.06 0.06 -0.01 0.00 -0.47 0.00 0.00 61.79 61.31 2fjr h SER 82 Cb 1.04 0.17 -0.02 0.00 -0.31 0.00 0.00 62.40 63.28 2fjr h SER 82 CO 1.25 -0.05 -0.37 -1.54 -0.87 0.00 0.00 176.83 175.26 2fjr n SER 83 N -3.38 0.86 0.00 4.97 3.41 -1.26 -4.89 113.62 113.32 2fjr n SER 83 Ca 0.00 -2.41 0.00 0.00 -0.26 0.00 0.00 58.87 56.21 2fjr n SER 83 Cb 0.05 -0.29 0.00 0.00 -0.26 0.00 0.00 64.21 63.71 2fjr n SER 83 CO 0.00 0.00 0.00 0.47 -0.16 0.00 0.00 175.04 175.35 2fjr n ASP 84 N -0.47 0.00 0.00 4.04 8.00 -1.20 -5.02 116.55 121.89 2fjr n ASP 84 Ca 0.06 0.00 0.00 0.00 0.71 0.00 0.00 54.79 55.56 2fjr n ASP 84 Cb 0.70 0.00 0.00 0.00 -0.02 0.00 0.00 41.12 41.80 2fjr n ASP 84 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 2fjr n ALA 85 N -0.92 0.00 -1.96 2.24 0.00 -1.26 -2.21 120.51 116.39 2fjr n ALA 85 Ca 0.00 0.00 -0.01 0.00 0.00 0.00 0.00 53.44 53.43 2fjr n ALA 85 Cb 0.00 0.02 -0.01 0.00 0.00 0.00 0.00 19.45 19.46 2fjr n ALA 85 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 177.50 178.67 2fjr n LYS 86 N -0.31 -3.29 -3.57 0.00 4.81 -1.25 -2.65 118.16 111.90 2fjr n LYS 86 Ca 0.00 2.58 -0.37 0.00 -0.87 0.00 0.00 58.31 59.66 2fjr n LYS 86 Cb 0.00 -3.36 -0.06 0.00 0.02 0.00 0.00 35.03 31.63 2fjr n LYS 86 CO 0.00 0.00 0.00 1.03 1.17 0.00 0.00 177.40 179.60 2fjr s ARG 87 N -1.02 3.81 -0.03 1.64 0.52 -1.26 -0.69 118.95 121.91 2fjr s ARG 87 Ca -0.05 0.27 0.02 0.00 -0.52 0.00 0.00 55.73 55.45 2fjr s ARG 87 Cb 0.00 -3.14 0.01 0.00 0.52 0.00 0.00 34.95 32.35 2fjr s ARG 87 CO 0.14 0.65 -0.06 0.42 0.02 0.00 0.00 175.30 176.47 2fjr s ILE 88 N -1.19 0.57 0.29 1.52 1.01 -0.14 -4.96 121.20 118.29 2fjr s ILE 88 Ca 0.26 -0.20 -0.30 0.00 0.00 0.00 0.00 60.65 60.41 2fjr s ILE 88 Cb -0.15 -0.55 -0.11 0.00 0.01 0.00 0.00 42.46 41.66 2fjr s ILE 88 CO 0.14 0.21 1.54 -0.70 0.00 0.00 0.00 174.94 176.12 2fjr s GLU 89 N 0.51 4.17 0.22 2.79 2.12 -1.26 -0.27 118.70 126.98 2fjr s GLU 89 Ca -0.07 2.49 0.07 0.00 0.36 0.00 0.00 54.97 57.82 2fjr s GLU 89 Cb -0.11 -3.04 -0.04 0.00 0.26 0.00 0.00 34.13 31.20 2fjr s GLU 89 CO 0.00 -0.56 0.11 0.20 -0.54 0.00 0.00 175.26 174.47 2fjr s GLY 90 N 0.39 1.60 0.22 -1.50 0.00 -1.18 -0.92 107.32 105.92 2fjr s GLY 90 Ca 0.61 -1.40 -0.13 0.00 0.00 0.00 0.00 44.72 43.81 2fjr s GLY 90 CO 0.48 -1.43 0.45 -1.36 0.00 0.00 0.00 173.10 171.24 2fjr s PHE 91 N -1.98 0.30 0.04 1.90 0.40 0.10 -0.94 117.98 117.79 2fjr s PHE 91 Ca 0.31 -0.65 0.06 0.00 -0.60 0.00 0.00 56.93 56.05 2fjr s PHE 91 Cb -0.08 0.18 -0.02 0.00 0.51 0.00 0.00 43.02 43.60 2fjr s PHE 91 CO 0.22 -0.93 -0.17 0.95 0.70 0.00 0.00 175.22 175.99 2fjr s THR 92 N -3.99 1.39 -0.19 0.64 -4.23 -0.31 -0.38 115.64 108.58 2fjr s THR 92 Ca 0.19 -1.08 0.01 0.00 -1.18 0.00 0.00 61.69 59.64 2fjr s THR 92 Cb -0.00 -1.23 0.03 0.00 1.34 0.00 0.00 72.50 72.65 2fjr s THR 92 CO 0.06 0.13 -0.14 -0.22 -0.54 0.00 0.00 174.62 173.91 2fjr s LEU 93 N -1.11 2.21 -0.10 4.79 2.96 0.26 -0.80 118.68 126.89 2fjr s LEU 93 Ca 0.05 -0.78 -0.07 0.00 -0.22 0.00 0.00 54.13 53.10 2fjr s LEU 93 Cb -0.08 -1.31 0.03 0.00 0.50 0.00 0.00 46.19 45.33 2fjr s LEU 93 CO 0.01 -0.09 0.25 -0.55 -1.32 0.00 0.00 176.35 174.65 2fjr s SER 94 N 1.37 -0.26 -1.55 3.68 0.15 -0.74 -4.56 113.70 111.78 2fjr s SER 94 Ca 0.01 0.51 -0.13 0.00 0.70 0.00 0.00 55.95 57.04 2fjr s SER 94 Cb -0.15 0.48 0.09 0.00 -1.71 0.00 0.00 66.02 64.73 2fjr s SER 94 CO -0.10 -0.11 0.87 -0.62 1.20 0.00 0.00 173.24 174.48 2fjr n GLU 95 N 3.41 -4.67 -1.28 5.44 1.02 -1.26 -1.29 120.64 122.02 2fjr n GLU 95 Ca -0.17 0.52 -0.10 0.00 -0.02 0.00 0.00 57.16 57.39 2fjr n GLU 95 Cb 0.56 -5.29 -0.04 0.00 -0.02 0.00 0.00 31.44 26.66 2fjr n GLU 95 CO 0.00 0.00 0.00 0.39 1.18 0.00 0.00 177.13 178.70 2fjr n GLU 96 N -4.55 -1.22 -4.96 3.49 1.02 -1.26 -4.97 120.64 108.18 2fjr n GLU 96 Ca -0.00 0.79 -0.32 0.00 -0.02 0.00 0.00 57.16 57.60 2fjr n GLU 96 Cb 0.54 -4.92 -0.16 0.00 -0.02 0.00 0.00 31.44 26.88 2fjr n GLU 96 CO 0.00 0.00 0.00 0.42 1.18 0.00 0.00 177.13 178.73 2fjr s ILE 97 N -2.08 2.50 -0.25 -3.67 1.01 -0.41 -1.55 121.20 116.75 2fjr s ILE 97 Ca 0.00 -0.86 -0.14 0.00 0.00 0.00 0.00 60.65 59.66 2fjr s ILE 97 Cb 0.00 -2.01 -0.04 0.00 0.01 0.00 0.00 42.46 40.42 2fjr s ILE 97 CO 0.00 0.54 0.31 -0.22 0.00 0.00 0.00 174.94 175.57 2fjr s LEU 98 N 0.41 4.08 -0.02 2.97 2.96 -1.26 -1.79 118.68 126.02 2fjr s LEU 98 Ca -0.14 0.27 0.07 0.00 -0.22 0.00 0.00 54.13 54.11 2fjr s LEU 98 Cb -0.17 -2.34 -0.02 0.00 0.50 0.00 0.00 46.19 44.16 2fjr s LEU 98 CO 0.06 -0.08 -0.24 -0.54 -1.32 0.00 0.00 176.35 174.23 2fjr s LYS 99 N 1.62 2.16 0.71 1.98 1.02 0.02 -4.97 119.74 122.27 2fjr s LYS 99 Ca 0.13 -0.90 -0.16 0.00 0.02 0.00 0.00 55.97 55.07 2fjr s LYS 99 Cb -0.15 -2.10 0.03 0.00 -0.52 0.00 0.00 37.83 35.08 2fjr s LYS 99 CO 0.08 0.57 1.21 0.45 -0.92 0.00 0.00 175.35 176.74 2fjr s SER 100 N -0.70 4.39 0.07 2.83 0.15 -1.26 -1.16 113.70 118.03 2fjr s SER 100 Ca 0.11 2.35 -0.02 0.00 0.70 0.00 0.00 55.95 59.09 2fjr s SER 100 Cb -0.10 -2.59 0.01 0.00 -1.71 0.00 0.00 66.02 61.63 2fjr s SER 100 CO -0.00 -2.13 0.14 -0.67 1.20 0.00 0.00 173.24 171.77 2fjr n ASP 101 N -2.52 -0.40 -4.73 5.45 2.03 -0.11 -4.67 116.55 111.60 2fjr n ASP 101 Ca 0.13 -1.32 -0.39 0.00 0.52 0.00 0.00 54.79 53.74 2fjr n ASP 101 Cb 0.50 0.68 0.04 0.00 -0.72 0.00 0.00 41.12 41.62 2fjr n ASP 101 CO 0.00 0.00 0.00 0.29 -1.92 0.00 0.00 177.20 175.57 2fjr n LYS 102 N -0.10 1.70 -1.33 -0.67 5.02 -1.26 -4.09 118.16 117.43 2fjr n LYS 102 Ca -0.01 0.62 -0.34 0.00 -2.02 0.00 0.00 58.31 56.56 2fjr n LYS 102 Cb 0.11 -2.53 0.10 0.00 -0.02 0.00 0.00 35.03 32.69 2fjr n LYS 102 CO 0.00 0.00 0.00 -1.14 -0.52 0.00 0.00 177.40 175.74 2fjr s GLN 103 N -2.78 1.99 -0.09 1.97 0.74 -1.26 -3.13 119.66 117.10 2fjr s GLN 103 Ca 0.70 1.72 0.04 0.00 0.05 0.00 0.00 55.36 57.87 2fjr s GLN 103 Cb -0.43 -1.82 0.00 0.00 1.10 0.00 0.00 33.01 31.87 2fjr s GLN 103 CO 0.50 -1.94 -0.21 -1.17 -0.55 0.00 0.00 175.29 171.92 2fjr s LEU 104 N -5.37 1.97 -0.18 3.68 2.96 0.63 -4.81 118.68 117.56 2fjr s LEU 104 Ca 0.73 -0.49 -0.17 0.00 -0.22 0.00 0.00 54.13 53.99 2fjr s LEU 104 Cb -0.28 -1.25 -0.04 0.00 0.50 0.00 0.00 46.19 45.12 2fjr s LEU 104 CO 0.47 0.13 0.42 -0.55 -1.32 0.00 0.00 176.35 175.50 2fjr s SER 105 N 0.42 6.51 -0.08 3.68 0.15 -1.26 -0.97 113.70 122.16 2fjr s SER 105 Ca -0.18 0.61 -0.08 0.00 0.70 0.00 0.00 55.95 57.00 2fjr s SER 105 Cb -0.17 -2.25 0.02 0.00 -1.71 0.00 0.00 66.02 61.91 2fjr s SER 105 CO 0.07 -0.05 0.22 0.54 1.20 0.00 0.00 173.24 175.22 2fjr s VAL 106 N 1.10 0.00 0.40 4.45 0.11 0.13 -5.02 120.40 121.57 2fjr s VAL 106 Ca 0.21 -0.01 -0.27 0.00 -2.93 0.00 0.00 61.98 58.98 2fjr s VAL 106 Cb -0.15 -0.31 -0.10 0.00 -1.53 0.00 0.00 36.38 34.29 2fjr s VAL 106 CO 0.08 -0.01 1.45 -0.62 -3.33 0.00 0.00 175.10 172.67 2fjr s ASP 107 N 0.09 6.20 0.59 3.54 -1.08 -1.20 -3.91 116.67 120.89 2fjr s ASP 107 Ca -0.00 2.96 0.35 0.00 -0.52 0.00 0.00 52.55 55.34 2fjr s ASP 107 Cb -0.02 -2.66 1.83 0.00 -1.46 0.00 0.00 42.92 40.61 2fjr s ASP 107 CO 0.00 -0.96 2.18 0.00 0.52 0.00 0.00 175.17 176.91 2fjr h ALA 108 N 2.76 1.14 0.00 3.66 0.00 -1.68 -1.77 119.26 123.37 2fjr h ALA 108 Ca -0.51 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.37 2fjr h ALA 108 Cb 1.25 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 19.03 2fjr h ALA 108 CO 0.63 0.05 0.00 1.04 0.00 0.00 0.00 179.25 180.97 2fjr n GLN 109 N -3.33 0.00 0.23 0.00 6.02 -1.26 -1.65 117.38 117.39 2fjr n GLN 109 Ca -0.02 0.32 0.12 0.00 -0.01 0.00 0.00 57.00 57.41 2fjr n GLN 109 Cb 0.18 -1.51 0.40 0.00 1.02 0.00 0.00 30.24 30.33 2fjr n GLN 109 CO 0.00 0.00 0.00 0.74 -1.01 0.00 0.00 177.06 176.79 2fjr h PHE 110 N 0.00 0.00 -3.12 1.08 0.05 -1.69 -3.43 116.94 109.83 2fjr h PHE 110 Ca 0.00 0.00 -0.60 0.00 3.82 0.00 0.00 57.97 61.19 2fjr h PHE 110 Cb 0.18 0.00 -0.36 0.00 2.00 0.00 0.00 35.95 37.77 2fjr h PHE 110 CO 0.00 0.13 -0.83 -0.06 -0.18 0.00 0.00 178.31 177.37 2fjr s PHE 111 N -3.45 2.14 0.33 -0.55 0.40 -0.66 -4.96 117.98 111.24 2fjr s PHE 111 Ca 0.03 -1.20 0.11 0.00 -0.60 0.00 0.00 56.93 55.27 2fjr s PHE 111 Cb 0.08 -1.58 0.57 0.00 0.51 0.00 0.00 43.02 42.60 2fjr s PHE 111 CO 0.63 -0.66 1.74 1.79 0.70 0.00 0.00 175.22 179.42 2fjr h THR 112 N 6.06 1.32 -3.16 0.64 1.35 -1.84 -3.41 112.91 113.87 2fjr h THR 112 Ca -0.38 -1.55 -0.65 0.00 -0.55 0.00 0.00 66.41 63.28 2fjr h THR 112 Cb 1.14 1.81 -0.14 0.00 -1.73 0.00 0.00 68.15 69.23 2fjr h THR 112 CO 0.53 0.45 -0.57 -0.54 -0.25 0.00 0.00 175.52 175.13 2fjr s LYS 113 N -4.02 3.51 0.28 4.72 -0.14 -1.26 -5.07 119.74 117.76 2fjr s LYS 113 Ca -0.03 -0.33 -0.30 0.00 -1.36 0.00 0.00 55.97 53.95 2fjr s LYS 113 Cb 0.14 -3.05 -0.12 0.00 -1.68 0.00 0.00 37.83 33.12 2fjr s LYS 113 CO 0.74 0.53 1.53 -2.30 -0.76 0.00 0.00 175.35 175.10 2fjr n PRO 114 N 2.72 2.50 -3.43 -1.68 -0.02 -1.26 -4.92 135.00 128.90 2fjr n PRO 114 Ca -0.18 0.89 -0.42 0.00 -2.02 0.00 0.00 63.50 61.76 2fjr n PRO 114 Cb 0.53 -2.63 -0.02 0.00 -0.02 0.00 0.00 33.50 31.37 2fjr n PRO 114 CO 0.00 0.00 0.00 -1.17 1.98 0.00 0.00 175.50 176.31 2fjr s LEU 115 N -0.38 6.11 0.15 2.45 2.96 -1.26 -4.87 118.68 123.84 2fjr s LEU 115 Ca 0.65 -3.62 -0.07 0.00 -0.22 0.00 0.00 54.13 50.86 2fjr s LEU 115 Cb -0.54 -2.12 -0.03 0.00 0.50 0.00 0.00 46.19 44.00 2fjr s LEU 115 CO 0.50 -0.26 1.40 0.71 -1.32 0.00 0.00 176.35 177.38 2fjr h THR 116 N 3.81 1.31 -2.50 3.68 1.35 -1.99 -3.35 112.91 115.22 2fjr h THR 116 Ca 0.17 -1.94 -0.61 0.00 -0.55 0.00 0.00 66.41 63.48 2fjr h THR 116 Cb 0.86 1.91 -0.42 0.00 -1.73 0.00 0.00 68.15 68.77 2fjr h THR 116 CO 0.96 0.61 -0.59 -0.67 -0.25 0.00 0.00 175.52 175.58 2fjr n ASP 117 N -3.92 3.47 -4.88 5.36 2.03 -1.26 -5.04 116.55 112.31 2fjr n ASP 117 Ca -0.05 -3.36 -0.21 0.00 0.52 0.00 0.00 54.79 51.69 2fjr n ASP 117 Cb 0.69 -0.70 -0.03 0.00 -0.72 0.00 0.00 41.12 40.36 2fjr n ASP 117 CO 0.00 0.00 0.00 -0.83 -1.92 0.00 0.00 177.20 174.45 2fjr s GLY 118 N -2.12 2.06 0.01 0.27 0.00 -1.26 -1.11 107.32 105.17 2fjr s GLY 118 Ca 0.35 -1.83 0.01 0.00 0.00 0.00 0.00 44.72 43.24 2fjr s GLY 118 CO -0.07 -1.67 -0.03 1.06 0.00 0.00 0.00 173.10 172.40 2fjr s MET 119 N -4.12 0.21 -0.26 2.90 -1.94 -0.26 -4.24 119.30 111.59 2fjr s MET 119 Ca 0.47 -0.27 0.02 0.00 -1.71 0.00 0.00 55.69 54.20 2fjr s MET 119 Cb -0.04 -0.08 0.06 0.00 2.01 0.00 0.00 34.83 36.78 2fjr s MET 119 CO 0.28 0.01 -0.09 0.00 -0.01 0.00 0.00 175.02 175.21 2fjr s ALA 120 N -0.54 2.60 -0.21 3.03 0.00 -0.09 -0.51 121.76 126.04 2fjr s ALA 120 Ca -0.05 -1.73 -0.03 0.00 0.00 0.00 0.00 51.96 50.15 2fjr s ALA 120 Cb -0.04 -1.63 -0.01 0.00 0.00 0.00 0.00 23.12 21.44 2fjr s ALA 120 CO -0.00 -1.16 -0.06 0.42 0.00 0.00 0.00 175.76 174.96 2fjr s ILE 121 N 1.14 3.28 -0.19 0.00 1.01 0.17 -0.73 121.20 125.89 2fjr s ILE 121 Ca -0.07 -0.53 -0.26 0.00 0.00 0.00 0.00 60.65 59.79 2fjr s ILE 121 Cb -0.19 -2.48 -0.01 0.00 0.01 0.00 0.00 42.46 39.79 2fjr s ILE 121 CO -0.05 0.44 0.88 -0.13 0.00 0.00 0.00 174.94 176.08 2fjr s ARG 122 N 1.38 4.27 -0.26 2.79 0.52 0.49 -0.63 118.95 127.50 2fjr s ARG 122 Ca 0.05 1.08 -0.01 0.00 -0.52 0.00 0.00 55.73 56.33 2fjr s ARG 122 Cb -0.14 -3.60 0.15 0.00 0.52 0.00 0.00 34.95 31.87 2fjr s ARG 122 CO -0.03 -0.43 0.41 0.45 0.02 0.00 0.00 175.30 175.72 2fjr s SER 123 N 1.21 0.12 -0.78 0.23 0.15 -0.15 -0.57 113.70 113.91 2fjr s SER 123 Ca 0.39 0.09 -0.01 0.00 0.70 0.00 0.00 55.95 57.12 2fjr s SER 123 Cb -0.16 1.22 0.00 0.00 -1.71 0.00 0.00 66.02 65.37 2fjr s SER 123 CO 0.10 -0.31 0.64 -0.62 1.20 0.00 0.00 173.24 174.25 2fjr n GLU 124 N 5.37 -1.49 -0.88 5.44 1.02 -1.26 -2.48 120.64 126.35 2fjr n GLU 124 Ca -0.02 1.06 0.00 0.00 -0.02 0.00 0.00 57.16 58.18 2fjr n GLU 124 Cb 0.50 -3.57 0.00 0.00 -0.02 0.00 0.00 31.44 28.35 2fjr n GLU 124 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 2fjr n GLY 125 N -1.63 0.38 3.21 0.62 0.00 -1.26 -4.97 105.19 101.54 2fjr n GLY 125 Ca -0.19 0.00 -0.16 0.00 0.00 0.00 0.00 46.02 45.66 2fjr n GLY 125 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2fjr s LYS 126 N -0.73 0.94 -0.20 1.61 1.02 -1.03 -1.95 119.74 119.40 2fjr s LYS 126 Ca 0.00 -1.20 0.01 0.00 0.02 0.00 0.00 55.97 54.80 2fjr s LYS 126 Cb 0.00 -0.74 0.03 0.00 -0.52 0.00 0.00 37.83 36.61 2fjr s LYS 126 CO 0.00 0.13 -0.16 0.42 -0.92 0.00 0.00 175.35 174.82 2fjr s ILE 127 N -2.28 2.03 -0.18 2.17 1.01 0.13 -0.98 121.20 123.10 2fjr s ILE 127 Ca 0.07 -1.12 -0.13 0.00 0.00 0.00 0.00 60.65 59.47 2fjr s ILE 127 Cb -0.04 -1.94 -0.05 0.00 0.01 0.00 0.00 42.46 40.44 2fjr s ILE 127 CO 0.02 0.35 0.26 -0.31 0.00 0.00 0.00 174.94 175.25 2fjr s TYR 128 N 1.26 3.42 -0.30 3.97 2.02 0.20 -0.92 117.35 126.99 2fjr s TYR 128 Ca 0.01 0.50 -0.12 0.00 -0.37 0.00 0.00 57.07 57.09 2fjr s TYR 128 Cb -0.15 -2.32 -0.04 0.00 -0.40 0.00 0.00 41.96 39.06 2fjr s TYR 128 CO -0.10 0.20 0.23 -0.06 -1.57 0.00 0.00 175.55 174.25 2fjr s PHE 129 N 0.61 3.22 -0.10 2.71 0.40 -0.02 -0.65 117.98 124.16 2fjr s PHE 129 Ca 0.14 0.02 0.01 0.00 -0.60 0.00 0.00 56.93 56.50 2fjr s PHE 129 Cb -0.13 -2.45 -0.02 0.00 0.51 0.00 0.00 43.02 40.94 2fjr s PHE 129 CO 0.03 -0.25 -0.13 0.08 0.70 0.00 0.00 175.22 175.65 2fjr s VAL 130 N 1.79 3.09 -0.46 -0.44 1.01 0.33 -0.24 120.40 125.48 2fjr s VAL 130 Ca 0.08 -0.67 -0.15 0.00 0.00 0.00 0.00 61.98 61.23 2fjr s VAL 130 Cb -0.16 -2.26 0.06 0.00 0.00 0.00 0.00 36.38 34.01 2fjr s VAL 130 CO 0.11 0.55 0.38 -0.62 0.00 0.00 0.00 175.10 175.52 2fjr s ASP 131 N -0.09 6.14 0.35 3.32 2.15 0.48 -1.10 116.67 127.92 2fjr s ASP 131 Ca -0.02 -1.24 0.27 0.00 0.43 0.00 0.00 52.55 51.98 2fjr s ASP 131 Cb -0.14 -2.18 1.13 0.00 -0.30 0.00 0.00 42.92 41.44 2fjr s ASP 131 CO 0.04 -0.61 1.79 0.11 -0.17 0.00 0.00 175.17 176.33 2fjr h LYS 132 N 8.73 0.00 -0.11 4.34 1.57 -1.32 -0.99 116.57 128.80 2fjr h LYS 132 Ca -0.28 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.50 2fjr h LYS 132 Cb 1.11 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.42 2fjr h LYS 132 CO 0.85 0.00 0.00 1.04 -0.57 0.00 0.00 179.45 180.77 2fjr n GLN 133 N -2.47 2.14 -1.71 3.15 1.13 -1.26 -4.65 117.38 113.71 2fjr n GLN 133 Ca 0.01 -1.67 -0.43 0.00 -1.94 0.00 0.00 57.00 52.97 2fjr n GLN 133 Cb 0.23 -1.47 -0.01 0.00 0.11 0.00 0.00 30.24 29.10 2fjr n GLN 133 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 2fjr n ALA 134 N 0.99 1.67 -1.73 -1.58 0.00 -1.09 -4.96 120.51 113.81 2fjr n ALA 134 Ca 0.16 0.38 -0.34 0.00 0.00 0.00 0.00 53.44 53.64 2fjr n ALA 134 Cb 0.51 -2.33 0.00 0.00 0.00 0.00 0.00 19.45 17.64 2fjr n ALA 134 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.50 175.96 2fjr s SER 135 N 0.08 5.72 0.13 0.00 1.04 -1.26 -4.87 113.70 114.53 2fjr s SER 135 Ca 0.61 2.09 -0.31 0.00 0.48 0.00 0.00 55.95 58.82 2fjr s SER 135 Cb -0.56 -2.57 -0.10 0.00 0.10 0.00 0.00 66.02 62.89 2fjr s SER 135 CO 0.56 -1.22 1.62 -0.22 0.98 0.00 0.00 173.24 174.96 2fjr s LEU 136 N -3.96 4.37 0.24 2.42 2.96 -1.26 -4.97 118.68 118.48 2fjr s LEU 136 Ca 0.71 2.59 -0.21 0.00 -0.22 0.00 0.00 54.13 56.99 2fjr s LEU 136 Cb -0.22 -3.58 0.03 0.00 0.50 0.00 0.00 46.19 42.93 2fjr s LEU 136 CO 0.29 -0.86 0.66 -0.94 -1.32 0.00 0.00 176.35 174.18 2fjr s SER 137 N 1.67 -0.35 0.55 3.68 1.04 -1.26 -5.10 113.70 113.94 2fjr s SER 137 Ca 0.72 -0.42 -0.20 0.00 0.48 0.00 0.00 55.95 56.52 2fjr s SER 137 Cb -0.43 0.67 -0.05 0.00 0.10 0.00 0.00 66.02 66.32 2fjr s SER 137 CO 0.32 -1.20 1.24 -1.81 0.98 0.00 0.00 173.24 172.77 2fjr s ASP 138 N -2.87 5.42 0.00 7.02 1.01 -1.26 -4.85 116.67 121.14 2fjr s ASP 138 Ca 0.08 2.48 0.00 0.00 0.71 0.00 0.00 52.55 55.82 2fjr s ASP 138 Cb -0.04 -2.61 0.00 0.00 1.01 0.00 0.00 42.92 41.28 2fjr s ASP 138 CO 0.00 -1.45 0.00 0.61 0.21 0.00 0.00 175.17 174.55 2fjr n GLY 139 N 0.56 0.15 3.75 0.21 0.00 -0.48 -4.98 105.19 104.41 2fjr n GLY 139 Ca 0.11 -1.69 -0.39 0.00 0.00 0.00 0.00 46.02 44.06 2fjr n GLY 139 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2fjr s LEU 140 N 0.00 4.36 0.04 0.99 1.43 -1.26 -0.32 118.68 123.93 2fjr s LEU 140 Ca 0.00 1.06 0.02 0.00 -1.03 0.00 0.00 54.13 54.18 2fjr s LEU 140 Cb 0.00 -2.87 -0.02 0.00 0.03 0.00 0.00 46.19 43.33 2fjr s LEU 140 CO 0.00 0.05 -0.08 0.26 0.23 0.00 0.00 176.35 176.81 2fjr s TRP 141 N 0.15 0.70 -0.15 0.29 0.52 0.16 -0.61 118.94 120.00 2fjr s TRP 141 Ca 0.30 -0.51 -0.22 0.00 0.02 0.00 0.00 56.10 55.69 2fjr s TRP 141 Cb -0.17 -0.42 -0.03 0.00 -1.15 0.00 0.00 33.47 31.70 2fjr s TRP 141 CO 0.15 -0.08 0.68 -1.17 0.02 0.00 0.00 176.95 176.56 2fjr s LEU 142 N -1.62 4.20 0.24 2.99 0.20 -0.22 -0.70 118.68 123.78 2fjr s LEU 142 Ca -0.09 1.00 0.03 0.00 0.69 0.00 0.00 54.13 55.75 2fjr s LEU 142 Cb -0.10 -3.00 -0.05 0.00 -0.43 0.00 0.00 46.19 42.61 2fjr s LEU 142 CO 0.00 -0.24 0.04 0.68 -0.29 0.00 0.00 176.35 176.53 2fjr s VAL 143 N 1.60 0.84 -0.18 1.68 -7.23 0.13 -0.86 120.40 116.39 2fjr s VAL 143 Ca 0.33 -2.01 -0.00 0.00 -1.81 0.00 0.00 61.98 58.49 2fjr s VAL 143 Cb -0.16 -2.44 0.04 0.00 0.56 0.00 0.00 36.38 34.38 2fjr s VAL 143 CO 0.13 -0.22 -0.06 -0.62 -0.31 0.00 0.00 175.10 174.02 2fjr s ASP 144 N -3.30 3.08 -0.31 4.85 3.68 0.12 -1.57 116.67 123.22 2fjr s ASP 144 Ca 0.31 -0.78 0.02 0.00 2.13 0.00 0.00 52.55 54.24 2fjr s ASP 144 Cb 0.07 -1.01 0.08 0.00 -1.45 0.00 0.00 42.92 40.61 2fjr s ASP 144 CO 0.10 -0.18 0.01 -0.63 0.13 0.00 0.00 175.17 174.59 2fjr s ILE 145 N 1.56 2.47 -1.44 4.11 1.01 -0.02 -1.62 121.20 127.26 2fjr s ILE 145 Ca -0.00 -1.92 -0.10 0.00 0.00 0.00 0.00 60.65 58.62 2fjr s ILE 145 Cb -0.16 -2.62 0.05 0.00 0.01 0.00 0.00 42.46 39.74 2fjr s ILE 145 CO -0.08 -0.34 1.01 0.29 0.00 0.00 0.00 174.94 175.83 2fjr n LYS 146 N 4.41 -6.23 0.00 2.79 4.76 -1.26 -1.29 118.16 121.34 2fjr n LYS 146 Ca -0.06 0.68 0.00 0.00 -2.87 0.00 0.00 58.31 56.06 2fjr n LYS 146 Cb 0.42 -5.59 0.00 0.00 -1.84 0.00 0.00 35.03 28.02 2fjr n LYS 146 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 2fjr n GLY 147 N -1.75 2.92 3.68 0.72 0.00 -1.26 -5.01 105.19 104.49 2fjr n GLY 147 Ca -0.02 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.58 2fjr n GLY 147 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2fjr s ALA 148 N -1.80 3.47 -0.06 4.61 0.00 -0.41 -4.93 121.76 122.63 2fjr s ALA 148 Ca 0.00 0.17 -0.16 0.00 0.00 0.00 0.00 51.96 51.97 2fjr s ALA 148 Cb 0.00 -3.30 -0.05 0.00 0.00 0.00 0.00 23.12 19.77 2fjr s ALA 148 CO 0.00 -0.62 0.42 0.42 0.00 0.00 0.00 175.76 175.98 2fjr s ILE 149 N 2.06 5.12 0.31 0.00 -1.09 -0.60 -0.84 121.20 126.17 2fjr s ILE 149 Ca 0.42 0.84 -0.15 0.00 -2.23 0.00 0.00 60.65 59.53 2fjr s ILE 149 Cb -0.17 -3.74 0.02 0.00 -1.58 0.00 0.00 42.46 36.99 2fjr s ILE 149 CO 0.14 0.46 0.65 -0.94 -1.23 0.00 0.00 174.94 174.03 2fjr s SER 150 N -0.25 -0.01 -0.19 3.58 1.04 -0.61 -4.30 113.70 112.96 2fjr s SER 150 Ca 0.23 -0.94 -0.03 0.00 0.48 0.00 0.00 55.95 55.69 2fjr s SER 150 Cb -0.16 0.72 -0.01 0.00 0.10 0.00 0.00 66.02 66.67 2fjr s SER 150 CO 0.11 -1.39 -0.05 -0.63 0.98 0.00 0.00 173.24 172.26 2fjr s ILE 151 N -3.39 3.47 0.04 -1.02 -1.09 -1.26 -0.69 121.20 117.26 2fjr s ILE 151 Ca 0.17 -0.48 0.02 0.00 -2.23 0.00 0.00 60.65 58.14 2fjr s ILE 151 Cb -0.04 -2.55 -0.02 0.00 -1.58 0.00 0.00 42.46 38.27 2fjr s ILE 151 CO 0.10 0.45 -0.08 -0.13 -1.23 0.00 0.00 174.94 174.06 2fjr s ARG 152 N 1.06 0.52 -0.10 2.79 1.81 0.13 -4.78 118.95 120.37 2fjr s ARG 152 Ca 0.01 -0.71 -0.26 0.00 -1.72 0.00 0.00 55.73 53.05 2fjr s ARG 152 Cb -0.15 -0.30 -0.02 0.00 -0.45 0.00 0.00 34.95 34.03 2fjr s ARG 152 CO -0.00 0.06 0.83 -2.00 -0.68 0.00 0.00 175.30 173.51 2fjr s GLU 153 N -1.45 4.40 -0.01 3.54 2.56 0.11 -0.67 118.70 127.19 2fjr s GLU 153 Ca -0.09 1.08 0.04 0.00 0.00 0.00 0.00 54.97 56.00 2fjr s GLU 153 Cb -0.09 -3.51 -0.03 0.00 2.00 0.00 0.00 34.13 32.50 2fjr s GLU 153 CO 0.00 -0.15 -0.10 -0.51 -0.56 0.00 0.00 175.26 173.95 2fjr s LEU 154 N 1.48 2.99 -0.11 2.70 1.43 0.57 -1.25 118.68 126.49 2fjr s LEU 154 Ca 0.42 -0.18 0.01 0.00 -1.03 0.00 0.00 54.13 53.34 2fjr s LEU 154 Cb -0.18 -1.70 0.02 0.00 0.03 0.00 0.00 46.19 44.36 2fjr s LEU 154 CO 0.18 0.30 -0.11 -0.89 0.23 0.00 0.00 176.35 176.06 2fjr s THR 155 N -0.91 1.21 0.25 5.49 2.01 -0.51 -1.38 115.64 121.80 2fjr s THR 155 Ca 0.15 -0.44 -0.30 0.00 0.31 0.00 0.00 61.69 61.41 2fjr s THR 155 Cb -0.11 -1.16 -0.09 0.00 0.01 0.00 0.00 72.50 71.15 2fjr s THR 155 CO 0.05 0.39 1.23 -0.54 -0.69 0.00 0.00 174.62 175.06 2fjr s LYS 156 N 1.30 4.47 0.28 4.92 1.02 -1.26 -1.01 119.74 129.45 2fjr s LYS 156 Ca -0.02 1.99 0.12 0.00 0.02 0.00 0.00 55.97 58.08 2fjr s LYS 156 Cb -0.14 -3.17 -0.05 0.00 -0.52 0.00 0.00 37.83 33.95 2fjr s LYS 156 CO -0.05 -0.07 -0.20 -0.51 -0.92 0.00 0.00 175.35 173.61 2fjr s LEU 157 N -0.95 2.60 0.88 3.17 1.43 0.11 -4.90 118.68 121.01 2fjr s LEU 157 Ca 0.50 -1.03 -0.10 0.00 -1.03 0.00 0.00 54.13 52.48 2fjr s LEU 157 Cb -0.35 -1.11 0.12 0.00 0.03 0.00 0.00 46.19 44.88 2fjr s LEU 157 CO 0.43 0.04 1.13 -2.16 0.23 0.00 0.00 176.35 176.02 2fjr s PRO 158 N -3.51 1.33 -0.48 1.29 0.04 -1.26 -2.79 135.00 129.62 2fjr s PRO 158 Ca 0.30 1.46 0.00 0.00 0.04 0.00 0.00 61.00 62.80 2fjr s PRO 158 Cb -0.05 -1.77 0.00 0.00 0.04 0.00 0.00 34.50 32.72 2fjr s PRO 158 CO 0.15 -2.38 0.00 0.41 0.04 0.00 0.00 177.00 175.22 2fjr n GLY 159 N -0.14 0.23 3.59 0.56 0.00 -1.26 -3.62 105.19 104.55 2fjr n GLY 159 Ca 0.11 -0.68 -0.21 0.00 0.00 0.00 0.00 46.02 45.24 2fjr n GLY 159 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2fjr n ARG 160 N -1.70 -6.09 -4.52 1.61 1.74 -1.23 -4.94 116.66 101.54 2fjr n ARG 160 Ca -0.06 0.74 -0.25 0.00 -0.77 0.00 0.00 57.85 57.51 2fjr n ARG 160 Cb 0.50 -5.59 -0.11 0.00 -1.02 0.00 0.00 32.46 26.24 2fjr n ARG 160 CO 0.00 0.00 0.00 0.15 -1.52 0.00 0.00 177.63 176.26 2fjr s LYS 161 N -5.81 1.76 0.03 5.56 1.02 -1.12 -1.72 119.74 119.47 2fjr s LYS 161 Ca 0.13 -1.92 0.02 0.00 0.02 0.00 0.00 55.97 54.21 2fjr s LYS 161 Cb -0.06 -1.51 -0.02 0.00 -0.52 0.00 0.00 37.83 35.72 2fjr s LYS 161 CO 0.77 0.07 -0.06 -0.51 -0.92 0.00 0.00 175.35 174.70 2fjr s LEU 162 N -3.58 2.22 -0.16 3.17 1.43 0.53 0.04 118.68 122.33 2fjr s LEU 162 Ca 0.32 -0.47 -0.05 0.00 -1.03 0.00 0.00 54.13 52.90 2fjr s LEU 162 Cb 0.04 -0.11 -0.03 0.00 0.03 0.00 0.00 46.19 46.12 2fjr s LEU 162 CO 0.16 -0.19 0.02 -2.28 0.23 0.00 0.00 176.35 174.28 2fjr s HIS 163 N -1.21 3.15 -0.17 0.29 5.65 -0.18 -1.01 115.29 121.81 2fjr s HIS 163 Ca -0.10 -0.06 0.01 0.00 0.25 0.00 0.00 55.06 55.16 2fjr s HIS 163 Cb -0.09 -2.00 0.02 0.00 -1.18 0.00 0.00 32.58 29.33 2fjr s HIS 163 CO -0.00 0.12 -0.20 0.08 -0.65 0.00 0.00 174.74 174.09 2fjr s VAL 164 N 0.22 2.14 0.12 0.89 1.01 0.26 -1.43 120.40 123.60 2fjr s VAL 164 Ca 0.01 -0.92 0.05 0.00 0.00 0.00 0.00 61.98 61.12 2fjr s VAL 164 Cb -0.13 -1.89 -0.04 0.00 0.00 0.00 0.00 36.38 34.32 2fjr s VAL 164 CO 0.02 0.54 -0.13 0.00 0.00 0.00 0.00 175.10 175.53 2fjr s ALA 165 N 1.17 1.41 0.00 5.51 0.00 -0.38 -1.59 121.76 127.88 2fjr s ALA 165 Ca 0.02 -1.30 0.00 0.00 0.00 0.00 0.00 51.96 50.68 2fjr s ALA 165 Cb -0.14 -0.03 0.00 0.00 0.00 0.00 0.00 23.12 22.95 2fjr s ALA 165 CO -0.10 0.04 0.00 0.41 0.00 0.00 0.00 175.76 176.12 2fjr n GLY 166 N 0.42 2.90 4.85 0.00 0.00 -1.26 -0.71 105.19 111.39 2fjr n GLY 166 Ca -0.15 -1.73 0.00 0.00 0.00 0.00 0.00 46.02 44.14 2fjr n GLY 166 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2fjr n GLY 167 N 0.29 2.09 2.25 -0.02 0.00 -1.26 -4.77 105.19 103.77 2fjr n GLY 167 Ca 0.00 -0.03 -0.18 0.00 0.00 0.00 0.00 46.02 45.80 2fjr n GLY 167 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 2fjr n LYS 168 N 0.00 0.94 -1.64 1.61 4.01 -1.26 -5.10 118.16 116.72 2fjr n LYS 168 Ca 0.00 -2.30 -0.41 0.00 -0.51 0.00 0.00 58.31 55.09 2fjr n LYS 168 Cb 0.00 0.94 0.01 0.00 -0.51 0.00 0.00 35.03 35.48 2fjr n LYS 168 CO 0.00 0.00 0.00 0.28 -1.11 0.00 0.00 177.40 176.57 2fjr n VAL 169 N -0.70 2.60 -1.65 -0.18 0.31 -1.26 -4.93 118.33 112.52 2fjr n VAL 169 Ca -0.08 -0.50 -0.33 0.00 -0.01 0.00 0.00 64.34 63.42 2fjr n VAL 169 Cb 0.40 -1.28 0.06 0.00 -0.91 0.00 0.00 33.84 32.11 2fjr n VAL 169 CO 0.00 0.00 0.00 -2.16 -1.32 0.00 0.00 176.83 173.35 2fjr s PRO 170 N -2.14 2.64 0.25 5.55 0.04 -1.26 -4.86 135.00 135.22 2fjr s PRO 170 Ca 0.64 1.41 -0.07 0.00 0.04 0.00 0.00 61.00 63.02 2fjr s PRO 170 Cb -0.53 -1.93 -0.01 0.00 0.04 0.00 0.00 34.50 32.07 2fjr s PRO 170 CO 0.56 -1.38 0.37 -0.59 0.04 0.00 0.00 177.00 176.00 2fjr s PHE 171 N -2.36 0.77 0.09 0.56 -0.12 -0.62 -4.99 117.98 111.31 2fjr s PHE 171 Ca 0.67 -1.05 0.09 0.00 -0.05 0.00 0.00 56.93 56.58 2fjr s PHE 171 Cb -0.21 -0.11 -0.03 0.00 -0.63 0.00 0.00 43.02 42.04 2fjr s PHE 171 CO 0.44 -0.91 -0.22 -1.21 -0.05 0.00 0.00 175.22 173.26 2fjr s GLU 172 N -3.86 1.27 0.38 1.99 2.02 -1.26 -0.58 118.70 118.66 2fjr s GLU 172 Ca 0.29 -1.14 -0.13 0.00 0.02 0.00 0.00 54.97 54.02 2fjr s GLU 172 Cb 0.02 -1.54 0.05 0.00 0.10 0.00 0.00 34.13 32.75 2fjr s GLU 172 CO 0.12 0.37 0.73 0.00 0.02 0.00 0.00 175.26 176.51 2fjr s GLY 174 N -3.11 1.57 0.20 0.00 0.00 -1.26 -0.35 107.32 104.38 2fjr s GLY 174 Ca 0.19 -0.96 0.19 0.00 0.00 0.00 0.00 44.72 44.13 2fjr s GLY 174 CO 0.14 -0.77 1.57 0.29 0.00 0.00 0.00 173.10 174.33 2fjr n ILE 175 N -2.20 1.07 1.46 0.90 -5.35 -0.70 -1.03 119.36 113.51 2fjr n ILE 175 Ca 0.02 0.42 0.14 0.00 -0.27 0.00 0.00 62.75 63.06 2fjr n ILE 175 Cb 0.58 -1.36 0.54 0.00 -1.74 0.00 0.00 39.64 37.66 2fjr n ILE 175 CO 0.00 0.00 0.00 -0.90 -1.76 0.00 0.00 176.55 173.89 2fjr n ASP 176 N -2.04 1.05 0.06 7.28 3.85 -1.26 -4.13 116.55 121.36 2fjr n ASP 176 Ca 0.01 -1.12 0.11 0.00 -0.71 0.00 0.00 54.79 53.08 2fjr n ASP 176 Cb 0.13 0.03 -0.03 0.00 -1.35 0.00 0.00 41.12 39.90 2fjr n ASP 176 CO 0.00 0.00 0.00 0.47 -1.01 0.00 0.00 177.20 176.66 2fjr n ASP 177 N -0.37 0.62 -4.07 -1.12 8.00 -0.20 -4.95 116.55 114.46 2fjr n ASP 177 Ca 0.17 0.16 -0.08 0.00 0.71 0.00 0.00 54.79 55.75 2fjr n ASP 177 Cb 0.32 0.83 -0.10 0.00 -0.02 0.00 0.00 41.12 42.15 2fjr n ASP 177 CO 0.00 0.00 0.00 0.27 -0.39 0.00 0.00 177.20 177.08 2fjr s ILE 178 N -3.36 0.27 -0.23 0.53 -4.36 -1.26 -4.86 121.20 107.93 2fjr s ILE 178 Ca -0.01 -1.58 -0.10 0.00 -0.26 0.00 0.00 60.65 58.70 2fjr s ILE 178 Cb 0.11 -1.20 -0.05 0.00 1.25 0.00 0.00 42.46 42.57 2fjr s ILE 178 CO 0.82 -0.84 0.13 -0.75 0.24 0.00 0.00 174.94 174.54 2fjr s LYS 179 N -3.23 3.99 -0.27 0.37 2.20 -0.64 -4.95 119.74 117.22 2fjr s LYS 179 Ca 0.01 -0.31 -0.14 0.00 -0.36 0.00 0.00 55.97 55.17 2fjr s LYS 179 Cb 0.03 -3.45 -0.04 0.00 -1.51 0.00 0.00 37.83 32.85 2fjr s LYS 179 CO -0.07 0.06 0.34 0.95 -0.36 0.00 0.00 175.35 176.28 2fjr s THR 180 N 1.02 5.20 -0.04 3.43 -4.23 -1.26 -0.70 115.64 119.06 2fjr s THR 180 Ca 0.06 0.51 0.08 0.00 -1.18 0.00 0.00 61.69 61.16 2fjr s THR 180 Cb -0.14 -3.67 -0.24 0.00 1.34 0.00 0.00 72.50 69.79 2fjr s THR 180 CO 0.04 0.18 0.66 -0.07 -0.54 0.00 0.00 174.62 174.89 2fjr h LEU 181 N 8.48 0.10 0.00 4.79 3.38 -1.35 -3.49 115.31 127.23 2fjr h LEU 181 Ca -0.32 -0.21 0.00 0.00 0.09 0.00 0.00 57.88 57.43 2fjr h LEU 181 Cb 1.17 -0.03 0.00 0.00 0.09 0.00 0.00 40.66 41.88 2fjr h LEU 181 CO 0.63 1.19 0.00 0.61 0.09 0.00 0.00 178.44 180.96 2fjr n GLY 182 N 1.63 1.68 3.81 0.83 0.00 -1.14 -4.35 105.19 107.64 2fjr n GLY 182 Ca -0.18 -0.67 -0.37 0.00 0.00 0.00 0.00 46.02 44.80 2fjr n GLY 182 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 2fjr s ARG 183 N -2.00 3.94 -0.11 1.61 3.52 -0.40 -1.05 118.95 124.46 2fjr s ARG 183 Ca 0.00 0.20 -0.29 0.00 -0.13 0.00 0.00 55.73 55.50 2fjr s ARG 183 Cb 0.00 -3.29 -0.04 0.00 -1.56 0.00 0.00 34.95 30.07 2fjr s ARG 183 CO 0.00 0.54 1.49 0.08 -0.81 0.00 0.00 175.30 176.60 2fjr s VAL 184 N -0.50 3.88 -0.63 7.11 1.01 0.22 -0.38 120.40 131.11 2fjr s VAL 184 Ca 0.20 1.06 0.16 0.00 0.00 0.00 0.00 61.98 63.40 2fjr s VAL 184 Cb -0.14 -3.70 -0.19 0.00 0.00 0.00 0.00 36.38 32.34 2fjr s VAL 184 CO 0.08 -0.11 0.63 1.33 0.00 0.00 0.00 175.10 177.03 2fjr n VAL 185 N 5.51 0.00 -3.49 2.92 0.24 0.67 -4.73 118.33 119.45 2fjr n VAL 185 Ca 0.16 -0.17 -0.12 0.00 -2.04 0.00 0.00 64.34 62.17 2fjr n VAL 185 Cb 0.44 0.83 -0.03 0.00 -1.47 0.00 0.00 33.84 33.61 2fjr n VAL 185 CO 0.00 0.00 0.00 -0.83 -2.14 0.00 0.00 176.83 173.86 2fjr s GLY 186 N -2.80 -0.51 -0.02 7.63 0.00 -1.16 -5.01 107.32 105.44 2fjr s GLY 186 Ca 0.04 1.05 -0.01 0.00 0.00 0.00 0.00 44.72 45.81 2fjr s GLY 186 CO 0.67 0.51 0.04 0.14 0.00 0.00 0.00 173.10 174.47 2fjr s VAL 187 N -2.62 -0.04 -0.16 1.40 1.01 -1.26 -0.84 120.40 117.90 2fjr s VAL 187 Ca -0.01 0.14 -0.02 0.00 0.00 0.00 0.00 61.98 62.09 2fjr s VAL 187 Cb -0.01 -0.09 -0.02 0.00 0.00 0.00 0.00 36.38 36.27 2fjr s VAL 187 CO -0.05 0.06 -0.08 -0.47 0.00 0.00 0.00 175.10 174.56 2fjr s TYR 188 N 0.74 2.92 -0.08 5.22 6.14 -0.09 -4.97 117.35 127.23 2fjr s TYR 188 Ca -0.06 -0.55 0.04 0.00 0.64 0.00 0.00 57.07 57.14 2fjr s TYR 188 Cb -0.09 -1.93 0.00 0.00 0.42 0.00 0.00 41.96 40.36 2fjr s TYR 188 CO -0.02 -0.19 -0.20 0.45 0.64 0.00 0.00 175.55 176.23 2fjr s SER 189 N 0.54 2.56 0.35 4.32 0.15 -1.26 -0.69 113.70 119.67 2fjr s SER 189 Ca -0.05 -0.45 -0.25 0.00 0.70 0.00 0.00 55.95 55.90 2fjr s SER 189 Cb -0.15 -1.07 -0.10 0.00 -1.71 0.00 0.00 66.02 62.99 2fjr s SER 189 CO 0.03 0.13 0.96 -0.70 1.20 0.00 0.00 173.24 174.86 2fjr s GLU 190 N 0.35 4.46 -0.81 5.44 2.12 -0.82 -4.99 118.70 124.45 2fjr s GLU 190 Ca -0.14 1.31 0.02 0.00 0.36 0.00 0.00 54.97 56.52 2fjr s GLU 190 Cb -0.16 -2.64 0.22 0.00 0.26 0.00 0.00 34.13 31.81 2fjr s GLU 190 CO 0.06 0.16 0.76 0.28 -0.54 0.00 0.00 175.26 175.99 2fjr n VAL 191 N 0.24 2.72 0.74 3.70 0.31 -1.26 -5.00 118.33 119.78 2fjr n VAL 191 Ca 0.03 -5.15 0.06 0.00 -0.01 0.00 0.00 64.34 59.27 2fjr n VAL 191 Cb 0.51 -2.24 0.35 0.00 -0.91 0.00 0.00 33.84 31.55 2fjr n VAL 191 CO 0.00 0.00 0.00 0.59 -1.32 0.00 0.00 176.83 176.10