#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1fjc n HIS 2 N 0.00 -3.10 -2.05 7.33 1.44 -1.26 -5.10 115.22 112.48 1fjc n HIS 2 Ca 0.00 -1.28 0.00 0.00 -2.01 0.00 0.00 57.72 54.43 1fjc n HIS 2 Cb 0.00 -0.55 0.00 0.00 0.12 0.00 0.00 29.99 29.56 1fjc n HIS 2 CO 0.00 0.00 0.00 0.00 -2.81 0.00 0.00 176.34 173.53 1fjc n MET 3 N -2.41 0.00 -3.90 -1.40 0.00 -1.26 -5.13 117.12 103.02 1fjc n MET 3 Ca 0.12 0.00 -0.35 0.00 0.00 0.00 0.00 57.70 57.47 1fjc n MET 3 Cb 0.44 0.00 -0.14 0.00 0.00 0.00 0.00 33.22 33.52 1fjc n MET 3 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 175.97 175.46 1fjc s LEU 4 N 0.00 3.01 -0.21 3.17 1.02 -1.26 -4.82 118.68 119.59 1fjc s LEU 4 Ca 0.00 -0.35 -0.00 0.00 0.02 0.00 0.00 54.13 53.80 1fjc s LEU 4 Cb 0.00 -1.77 0.00 0.00 0.02 0.00 0.00 46.19 44.44 1fjc s LEU 4 CO 0.00 -0.02 0.00 1.21 0.02 0.00 0.00 176.35 177.57 1fjc n GLU 5 N 4.77 -2.45 -0.79 1.70 2.13 -1.26 -4.94 120.64 119.80 1fjc n GLU 5 Ca -0.18 2.11 -0.30 0.00 0.66 0.00 0.00 57.16 59.45 1fjc n GLU 5 Cb 0.51 -4.06 0.10 0.00 0.27 0.00 0.00 31.44 28.26 1fjc n GLU 5 CO 0.00 0.00 0.00 -0.25 -0.41 0.00 0.00 177.13 176.47 1fjc n ASP 6 N 0.50 -2.69 -3.50 4.31 9.92 -1.26 -4.97 116.55 118.86 1fjc n ASP 6 Ca -0.00 -0.11 0.00 0.00 -0.53 0.00 0.00 54.79 54.15 1fjc n ASP 6 Cb 0.00 -0.70 0.00 0.00 -0.64 0.00 0.00 41.12 39.78 1fjc n ASP 6 CO 0.00 0.00 0.00 -0.81 0.13 0.00 0.00 177.20 176.52 1fjc n PRO 7 N 0.16 1.23 -0.00 -0.24 -0.04 -1.26 -4.97 135.00 129.88 1fjc n PRO 7 Ca 0.00 0.00 0.10 0.00 -0.04 0.00 0.00 63.50 63.56 1fjc n PRO 7 Cb 0.58 0.00 -0.12 0.00 -0.04 0.00 0.00 33.50 33.93 1fjc n PRO 7 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1fjc h THR 9 N 0.00 0.30 -5.07 0.00 1.35 -2.03 -3.43 112.91 104.03 1fjc h THR 9 Ca 0.00 -0.01 -0.09 0.00 -0.55 0.00 0.00 66.41 65.76 1fjc h THR 9 Cb 0.59 0.27 -0.04 0.00 -1.73 0.00 0.00 68.15 67.25 1fjc h THR 9 CO 0.00 0.00 -0.13 -0.24 -0.25 0.00 0.00 175.52 174.91 1fjc n SER 10 N -4.17 -1.47 0.04 5.36 2.88 -1.26 -4.76 113.62 110.24 1fjc n SER 10 Ca 0.31 0.29 -0.20 0.00 -1.33 0.00 0.00 58.87 57.95 1fjc n SER 10 Cb 1.43 -1.37 -0.13 0.00 -0.75 0.00 0.00 64.21 63.39 1fjc n SER 10 CO 0.00 0.00 0.00 0.07 -1.23 0.00 0.00 175.04 173.88 1fjc h LYS 11 N -0.10 0.37 -0.51 -1.46 2.10 -1.96 -3.15 116.57 111.86 1fjc h LYS 11 Ca -0.10 -0.53 0.00 0.00 -2.00 0.00 0.00 60.65 58.02 1fjc h LYS 11 Cb 1.07 0.18 0.00 0.00 -0.90 0.00 0.00 32.23 32.58 1fjc h LYS 11 CO 0.13 1.22 0.00 1.63 -2.00 0.00 0.00 179.45 180.43 1fjc n LYS 12 N -4.11 2.30 -0.05 0.07 5.02 -1.26 -3.82 118.16 116.30 1fjc n LYS 12 Ca -0.13 -1.70 -0.01 0.00 -2.02 0.00 0.00 58.31 54.45 1fjc n LYS 12 Cb 0.80 -1.46 -0.13 0.00 -0.02 0.00 0.00 35.03 34.22 1fjc n LYS 12 CO 0.00 0.00 0.00 0.28 -0.52 0.00 0.00 177.40 177.16 1fjc n VAL 13 N 0.76 0.64 0.15 -0.18 0.31 -1.23 -4.29 118.33 114.50 1fjc n VAL 13 Ca 0.16 -0.56 0.11 0.00 -0.01 0.00 0.00 64.34 64.04 1fjc n VAL 13 Cb 0.46 -0.29 0.07 0.00 -0.91 0.00 0.00 33.84 33.18 1fjc n VAL 13 CO 0.00 0.00 0.00 0.08 -1.32 0.00 0.00 176.83 175.59 1fjc h ARG 14 N 0.00 0.00 0.00 5.55 0.11 -1.65 -3.30 114.38 115.10 1fjc h ARG 14 Ca -0.25 0.00 -0.10 0.00 0.10 0.00 0.00 59.98 59.73 1fjc h ARG 14 Cb 1.49 0.00 -0.01 0.00 1.11 0.00 0.00 29.97 32.55 1fjc h ARG 14 CO 0.01 0.02 -0.48 0.00 0.10 0.00 0.00 179.97 179.62 1fjc h ALA 15 N 1.98 0.74 -0.14 0.08 0.00 -1.76 -3.11 119.26 117.05 1fjc h ALA 15 Ca -0.00 -0.43 0.00 0.00 0.00 0.00 0.00 54.91 54.47 1fjc h ALA 15 Cb 1.02 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.73 1fjc h ALA 15 CO 0.00 0.60 0.00 0.00 0.00 0.00 0.00 179.25 179.85 1fjc n ALA 16 N -2.24 2.53 0.83 0.00 0.00 -1.24 -3.45 120.51 116.93 1fjc n ALA 16 Ca 0.01 -0.50 0.09 0.00 0.00 0.00 0.00 53.44 53.05 1fjc n ALA 16 Cb 0.68 -1.11 -0.11 0.00 0.00 0.00 0.00 19.45 18.91 1fjc n ALA 16 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 1fjc n ARG 17 N 0.26 0.69 -4.17 0.00 5.12 -1.18 -4.07 116.66 113.32 1fjc n ARG 17 Ca 0.17 -0.01 -0.13 0.00 -1.93 0.00 0.00 57.85 55.94 1fjc n ARG 17 Cb 0.32 -1.41 -0.11 0.00 -1.16 0.00 0.00 32.46 30.11 1fjc n ARG 17 CO 0.00 0.00 0.00 0.99 -1.93 0.00 0.00 177.63 176.69 1fjc s THR 18 N -2.85 0.83 0.06 0.55 2.01 -1.22 0.24 115.64 115.26 1fjc s THR 18 Ca 0.06 -1.70 -0.05 0.00 0.31 0.00 0.00 61.69 60.30 1fjc s THR 18 Cb 0.14 -1.41 -0.02 0.00 0.01 0.00 0.00 72.50 71.22 1fjc s THR 18 CO 0.79 -0.66 0.10 -1.48 -0.69 0.00 0.00 174.62 172.67 1fjc s LEU 19 N -2.60 1.86 -0.33 4.42 0.05 0.43 -3.61 118.68 118.90 1fjc s LEU 19 Ca 0.07 -0.73 -0.16 0.00 0.05 0.00 0.00 54.13 53.36 1fjc s LEU 19 Cb -0.01 0.66 -0.02 0.00 -2.05 0.00 0.00 46.19 44.78 1fjc s LEU 19 CO -0.01 -0.63 0.39 -0.22 -0.55 0.00 0.00 176.35 175.33 1fjc s LEU 20 N -2.68 4.35 0.01 1.48 1.98 0.74 0.46 118.68 125.02 1fjc s LEU 20 Ca 0.03 -0.10 -0.30 0.00 -2.89 0.00 0.00 54.13 50.87 1fjc s LEU 20 Cb 0.04 -2.40 -0.04 0.00 0.66 0.00 0.00 46.19 44.46 1fjc s LEU 20 CO -0.09 -0.33 1.07 0.00 -1.89 0.00 0.00 176.35 175.11 1fjc s ALA 21 N 2.09 3.27 0.44 5.97 0.00 0.73 0.26 121.76 134.53 1fjc s ALA 21 Ca 0.14 0.65 0.03 0.00 0.00 0.00 0.00 51.96 52.77 1fjc s ALA 21 Cb -0.16 -3.39 -0.03 0.00 0.00 0.00 0.00 23.12 19.54 1fjc s ALA 21 CO 0.12 -0.35 0.07 0.21 0.00 0.00 0.00 175.76 175.80 1fjc s LYS 22 N 1.14 2.00 -0.44 0.00 2.36 0.67 0.34 119.74 125.82 1fjc s LYS 22 Ca 0.54 -2.23 0.00 0.00 -2.55 0.00 0.00 55.97 51.74 1fjc s LYS 22 Cb -0.24 -1.05 0.00 0.00 -1.05 0.00 0.00 37.83 35.49 1fjc s LYS 22 CO 0.28 -0.37 0.00 -1.71 1.55 0.00 0.00 175.35 175.09 1fjc n ASN 23 N -1.20 -4.62 -4.74 1.43 5.15 -0.62 0.19 115.26 110.85 1fjc n ASN 23 Ca -0.10 0.10 -0.30 0.00 -0.60 0.00 0.00 54.58 53.68 1fjc n ASN 23 Cb 0.66 -2.49 0.12 0.00 -0.53 0.00 0.00 39.78 37.54 1fjc n ASN 23 CO 0.00 0.00 0.00 -0.76 1.40 0.00 0.00 177.26 177.90 1fjc s LEU 24 N -0.94 2.59 0.00 1.20 1.02 0.79 -4.69 118.68 118.64 1fjc s LEU 24 Ca 0.00 1.65 0.00 0.00 0.02 0.00 0.00 54.13 55.80 1fjc s LEU 24 Cb 0.00 -4.18 0.00 0.00 0.02 0.00 0.00 46.19 42.03 1fjc s LEU 24 CO 0.00 -2.41 0.00 -0.24 0.02 0.00 0.00 176.35 173.72 1fjc n SER 25 N -3.75 0.45 0.13 2.29 2.88 -1.26 -3.86 113.62 110.49 1fjc n SER 25 Ca 0.08 -0.83 0.12 0.00 -1.33 0.00 0.00 58.87 56.91 1fjc n SER 25 Cb 0.54 0.00 0.14 0.00 -0.75 0.00 0.00 64.21 64.14 1fjc n SER 25 CO 0.00 0.00 0.00 -0.26 -1.23 0.00 0.00 175.04 173.55 1fjc h PHE 26 N 0.18 0.00 0.11 0.66 -1.00 -1.97 -3.35 116.94 111.58 1fjc h PHE 26 Ca 0.00 0.00 -0.36 0.00 2.81 0.00 0.00 57.97 60.42 1fjc h PHE 26 Cb 0.00 0.00 -0.02 0.00 3.61 0.00 0.00 35.95 39.54 1fjc h PHE 26 CO 0.00 0.00 -1.99 -1.71 -1.61 0.00 0.00 178.31 173.00 1fjc n ASN 27 N -2.62 1.98 -4.07 2.17 5.15 -1.26 -4.95 115.26 111.67 1fjc n ASN 27 Ca 0.03 0.21 -0.36 0.00 -0.60 0.00 0.00 54.58 53.86 1fjc n ASN 27 Cb 0.50 -0.75 0.06 0.00 -0.53 0.00 0.00 39.78 39.06 1fjc n ASN 27 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 1fjc n ILE 28 N -3.43 0.00 -3.74 -1.44 3.06 -1.26 -5.00 119.36 107.55 1fjc n ILE 28 Ca -0.31 -0.26 -0.04 0.00 -2.50 0.00 0.00 62.75 59.64 1fjc n ILE 28 Cb 1.05 -0.12 -0.01 0.00 0.54 0.00 0.00 39.64 41.09 1fjc n ILE 28 CO 0.00 0.00 0.00 0.42 -2.50 0.00 0.00 176.55 174.47 1fjc s THR 29 N -2.06 0.00 0.43 9.51 -4.23 -1.26 -4.93 115.64 113.10 1fjc s THR 29 Ca 0.42 -0.64 0.20 0.00 -1.18 0.00 0.00 61.69 60.48 1fjc s THR 29 Cb -0.06 -1.93 0.40 0.00 1.34 0.00 0.00 72.50 72.24 1fjc s THR 29 CO 0.73 0.00 1.85 -0.08 -0.54 0.00 0.00 174.62 176.58 1fjc h GLU 30 N 2.00 0.33 0.20 3.99 4.81 -1.91 0.58 114.58 124.58 1fjc h GLU 30 Ca -0.24 -0.02 -0.01 0.00 -0.13 0.00 0.00 59.36 58.96 1fjc h GLU 30 Cb 1.23 -0.08 0.00 0.00 0.63 0.00 0.00 28.75 30.54 1fjc h GLU 30 CO 0.26 0.22 -0.10 0.22 -0.73 0.00 0.00 179.01 178.88 1fjc h ASP 31 N 0.34 -0.23 -0.77 1.04 1.82 -1.94 2.15 116.42 118.84 1fjc h ASP 31 Ca 0.48 0.01 0.02 0.00 -0.39 0.00 0.00 57.03 57.14 1fjc h ASP 31 Cb 1.29 0.06 -0.04 0.00 0.68 0.00 0.00 39.33 41.32 1fjc h ASP 31 CO -0.16 -0.16 0.50 -0.08 -1.61 0.00 0.00 179.24 177.73 1fjc h GLU 32 N -0.27 0.98 -0.06 0.28 4.22 -1.34 0.49 114.58 118.88 1fjc h GLU 32 Ca -0.03 -0.06 -0.11 0.00 0.08 0.00 0.00 59.36 59.24 1fjc h GLU 32 Cb 0.20 -0.22 -0.01 0.00 0.50 0.00 0.00 28.75 29.22 1fjc h GLU 32 CO 0.04 0.65 -0.47 -0.07 -2.18 0.00 0.00 179.01 176.98 1fjc h LEU 33 N 1.01 0.16 -0.98 1.64 3.38 -0.61 0.89 115.31 120.80 1fjc h LEU 33 Ca 0.29 -0.07 -0.06 0.00 0.09 0.00 0.00 57.88 58.13 1fjc h LEU 33 Cb -0.07 -0.04 -0.01 0.00 0.09 0.00 0.00 40.66 40.62 1fjc h LEU 33 CO -0.08 0.61 -0.30 0.50 0.09 0.00 0.00 178.44 179.26 1fjc h LYS 34 N 0.12 0.00 0.09 1.13 3.11 0.53 0.45 116.57 122.00 1fjc h LYS 34 Ca 0.01 0.00 -0.28 0.00 -2.81 0.00 0.00 60.65 57.56 1fjc h LYS 34 Cb 0.88 0.00 -0.01 0.00 -1.00 0.00 0.00 32.23 32.10 1fjc h LYS 34 CO 0.07 0.30 -1.42 1.49 -2.81 0.00 0.00 179.45 177.08 1fjc h GLU 35 N 0.00 0.18 0.13 1.90 4.81 0.75 -2.78 114.58 119.57 1fjc h GLU 35 Ca -0.00 -0.31 -0.28 0.00 -0.13 0.00 0.00 59.36 58.64 1fjc h GLU 35 Cb 0.84 0.11 0.00 0.00 0.63 0.00 0.00 28.75 30.34 1fjc h GLU 35 CO 0.04 1.04 -1.31 0.28 -0.73 0.00 0.00 179.01 178.33 1fjc h VAL 36 N 0.05 1.42 -1.69 0.32 2.07 -0.63 -3.33 116.25 114.47 1fjc h VAL 36 Ca -0.19 -3.00 -0.68 0.00 0.82 0.00 0.00 66.70 63.65 1fjc h VAL 36 Cb 1.97 2.91 -0.34 0.00 -1.52 0.00 0.00 31.29 34.31 1fjc h VAL 36 CO 0.15 0.87 0.28 0.49 0.02 0.00 0.00 177.57 179.39 1fjc n PHE 37 N -3.52 3.15 0.10 1.57 3.72 0.16 -4.74 117.46 117.90 1fjc n PHE 37 Ca -0.10 -2.67 0.06 0.00 -0.05 0.00 0.00 57.45 54.69 1fjc n PHE 37 Cb 1.03 -0.75 0.33 0.00 -0.94 0.00 0.00 39.48 39.15 1fjc n PHE 37 CO 0.00 0.00 0.00 -0.85 -0.05 0.00 0.00 176.76 175.86 1fjc n GLU 38 N -0.55 0.08 0.01 -1.08 0.28 -1.05 -0.58 120.64 117.75 1fjc n GLU 38 Ca 0.48 0.57 0.12 0.00 -0.16 0.00 0.00 57.16 58.17 1fjc n GLU 38 Cb 0.46 -1.75 0.27 0.00 1.43 0.00 0.00 31.44 31.85 1fjc n GLU 38 CO 0.00 0.00 0.00 -3.47 -0.16 0.00 0.00 177.13 173.50 1fjc n ASP 39 N -1.92 0.48 -4.84 -1.84 -0.08 -1.26 -4.90 116.55 102.19 1fjc n ASP 39 Ca -0.01 -0.14 -0.22 0.00 -1.51 0.00 0.00 54.79 52.91 1fjc n ASP 39 Cb 0.03 0.18 0.07 0.00 2.34 0.00 0.00 41.12 43.74 1fjc n ASP 39 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 1fjc s ALA 40 N -3.02 3.96 -0.04 -1.67 0.00 0.26 -4.23 121.76 117.01 1fjc s ALA 40 Ca 0.11 -1.67 -0.22 0.00 0.00 0.00 0.00 51.96 50.18 1fjc s ALA 40 Cb 0.17 -1.93 -0.26 0.00 0.00 0.00 0.00 23.12 21.10 1fjc s ALA 40 CO 0.69 -1.09 0.99 -0.07 0.00 0.00 0.00 175.76 176.27 1fjc h LEU 41 N -0.18 0.39 -7.09 0.00 3.38 -0.45 -3.44 115.31 107.92 1fjc h LEU 41 Ca -0.37 -0.85 0.31 0.00 0.09 0.00 0.00 57.88 57.06 1fjc h LEU 41 Cb 1.28 -0.12 -0.16 0.00 0.09 0.00 0.00 40.66 41.75 1fjc h LEU 41 CO 0.44 1.20 0.87 -1.83 0.09 0.00 0.00 178.44 179.21 1fjc s GLU 42 N -2.84 0.26 0.16 1.13 -1.05 -0.99 -5.03 118.70 110.34 1fjc s GLU 42 Ca -0.14 -0.13 0.08 0.00 -0.15 0.00 0.00 54.97 54.63 1fjc s GLU 42 Cb 0.01 0.10 -0.04 0.00 -0.44 0.00 0.00 34.13 33.76 1fjc s GLU 42 CO 0.79 -0.12 -0.18 0.42 0.95 0.00 0.00 175.26 177.13 1fjc s ILE 43 N -2.31 1.77 0.16 1.83 1.01 -1.26 -1.14 121.20 121.26 1fjc s ILE 43 Ca 0.12 -1.90 0.11 0.00 0.00 0.00 0.00 60.65 58.98 1fjc s ILE 43 Cb 0.02 -1.82 -0.04 0.00 0.01 0.00 0.00 42.46 40.64 1fjc s ILE 43 CO -0.04 -0.33 -0.25 -0.13 0.00 0.00 0.00 174.94 174.19 1fjc s ARG 44 N -2.79 1.49 0.23 2.79 1.81 0.86 -4.80 118.95 118.53 1fjc s ARG 44 Ca 0.15 -1.42 -0.07 0.00 -1.72 0.00 0.00 55.73 52.67 1fjc s ARG 44 Cb -0.06 -1.89 -0.06 0.00 -0.45 0.00 0.00 34.95 32.49 1fjc s ARG 44 CO 0.06 0.43 0.51 -1.17 -0.68 0.00 0.00 175.30 174.45 1fjc s LEU 45 N -2.37 4.15 -0.16 2.53 1.98 -1.26 0.12 118.68 123.68 1fjc s LEU 45 Ca 0.18 0.79 -0.09 0.00 -2.89 0.00 0.00 54.13 52.11 1fjc s LEU 45 Cb -0.09 -3.56 0.06 0.00 0.66 0.00 0.00 46.19 43.25 1fjc s LEU 45 CO 0.08 -0.08 0.39 -0.69 -1.89 0.00 0.00 176.35 174.16 1fjc s VAL 46 N -1.87 -0.02 0.00 1.68 1.01 0.77 -4.67 120.40 117.30 1fjc s VAL 46 Ca 0.45 0.09 0.00 0.00 0.00 0.00 0.00 61.98 62.52 1fjc s VAL 46 Cb -0.11 -0.58 0.00 0.00 0.00 0.00 0.00 36.38 35.69 1fjc s VAL 46 CO 0.24 0.04 0.00 -1.20 0.00 0.00 0.00 175.10 174.18 1fjc n SER 47 N 4.13 0.14 -0.28 3.32 7.64 -1.26 -0.36 113.62 126.95 1fjc n SER 47 Ca -0.23 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.65 1fjc n SER 47 Cb 0.55 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.75 1fjc n SER 47 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1fjc n GLN 48 N 0.00 3.57 0.29 1.43 10.64 -0.26 -4.63 117.38 128.42 1fjc n GLN 48 Ca 0.00 0.00 0.15 0.00 -1.83 0.00 0.00 57.00 55.32 1fjc n GLN 48 Cb 0.00 0.00 0.90 0.00 -0.86 0.00 0.00 30.24 30.28 1fjc n GLN 48 CO 0.00 0.00 0.00 0.38 -1.83 0.00 0.00 177.06 175.61 1fjc h ASP 49 N 0.00 0.00 0.00 2.61 2.03 -2.02 -3.38 116.42 115.66 1fjc h ASP 49 Ca 0.00 0.00 0.00 0.00 -0.73 0.00 0.00 57.03 56.30 1fjc h ASP 49 Cb 0.00 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 38.50 1fjc h ASP 49 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 179.24 178.82 1fjc n GLY 50 N -1.34 -1.39 0.00 7.15 0.00 -1.26 -5.15 105.19 103.20 1fjc n GLY 50 Ca -0.03 0.69 0.00 0.00 0.00 0.00 0.00 46.02 46.69 1fjc n GLY 50 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 1fjc n LYS 51 N 0.00 0.00 -1.36 1.61 4.81 -1.26 -5.12 118.16 116.84 1fjc n LYS 51 Ca 0.00 0.00 -0.53 0.00 -0.87 0.00 0.00 58.31 56.91 1fjc n LYS 51 Cb 0.00 0.00 -0.07 0.00 0.02 0.00 0.00 35.03 34.98 1fjc n LYS 51 CO 0.00 0.00 0.00 0.45 1.17 0.00 0.00 177.40 179.02 1fjc n SER 52 N 0.00 0.18 -0.00 3.14 2.88 -1.26 -1.10 113.62 117.46 1fjc n SER 52 Ca 0.00 1.03 0.01 0.00 -1.33 0.00 0.00 58.87 58.58 1fjc n SER 52 Cb 0.00 -0.80 -0.01 0.00 -0.75 0.00 0.00 64.21 62.64 1fjc n SER 52 CO 0.00 0.00 0.00 1.17 -1.23 0.00 0.00 175.04 174.98 1fjc n LYS 53 N 1.71 3.10 -0.52 -1.46 4.81 -1.25 -4.61 118.16 119.94 1fjc n LYS 53 Ca 0.19 -0.01 0.00 0.00 -0.87 0.00 0.00 58.31 57.63 1fjc n LYS 53 Cb 0.05 -0.82 0.00 0.00 0.02 0.00 0.00 35.03 34.28 1fjc n LYS 53 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 1fjc n GLY 54 N 1.75 1.56 3.39 3.14 0.00 -1.24 -4.70 105.19 109.09 1fjc n GLY 54 Ca -0.00 -0.22 -0.27 0.00 0.00 0.00 0.00 46.02 45.52 1fjc n GLY 54 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1fjc s ILE 55 N -2.01 2.20 -0.27 -0.61 -1.09 0.51 -0.15 121.20 119.78 1fjc s ILE 55 Ca 0.00 -1.85 -0.22 0.00 -2.23 0.00 0.00 60.65 56.35 1fjc s ILE 55 Cb 0.00 -1.98 0.08 0.00 -1.58 0.00 0.00 42.46 38.97 1fjc s ILE 55 CO 0.00 -0.04 0.72 0.00 -1.23 0.00 0.00 174.94 174.40 1fjc s ALA 56 N -1.38 -1.82 0.26 9.38 0.00 0.15 0.27 121.76 128.63 1fjc s ALA 56 Ca 0.16 2.14 -0.23 0.00 0.00 0.00 0.00 51.96 54.02 1fjc s ALA 56 Cb -0.09 -1.27 -0.09 0.00 0.00 0.00 0.00 23.12 21.68 1fjc s ALA 56 CO 0.07 -0.35 0.84 0.71 0.00 0.00 0.00 175.76 177.03 1fjc s TYR 57 N 0.74 3.70 -0.09 0.00 1.51 0.33 0.26 117.35 123.80 1fjc s TYR 57 Ca -0.03 1.60 -0.02 0.00 -1.01 0.00 0.00 57.07 57.62 1fjc s TYR 57 Cb -0.05 -2.78 0.03 0.00 -0.11 0.00 0.00 41.96 39.05 1fjc s TYR 57 CO -0.05 0.30 0.01 0.42 -1.11 0.00 0.00 175.55 175.11 1fjc s ILE 58 N -1.53 0.39 -0.13 2.71 1.01 0.17 0.30 121.20 124.13 1fjc s ILE 58 Ca 0.46 0.01 0.00 0.00 0.00 0.00 0.00 60.65 61.12 1fjc s ILE 58 Cb -0.18 -0.61 -0.01 0.00 0.01 0.00 0.00 42.46 41.66 1fjc s ILE 58 CO 0.23 0.18 -0.14 -1.83 0.00 0.00 0.00 174.94 173.38 1fjc s GLU 59 N 1.96 3.34 0.55 2.79 -1.05 -0.29 0.16 118.70 126.16 1fjc s GLU 59 Ca 0.04 -0.70 0.09 0.00 -0.15 0.00 0.00 54.97 54.25 1fjc s GLU 59 Cb -0.13 -2.60 0.07 0.00 -0.44 0.00 0.00 34.13 31.03 1fjc s GLU 59 CO -0.06 0.22 0.68 -0.06 0.95 0.00 0.00 175.26 177.00 1fjc s PHE 60 N 0.32 1.61 -1.38 4.83 0.40 0.66 0.21 117.98 124.62 1fjc s PHE 60 Ca -0.11 -0.71 0.27 0.00 -0.60 0.00 0.00 56.93 55.78 1fjc s PHE 60 Cb -0.16 -2.16 0.86 0.00 0.51 0.00 0.00 43.02 42.07 1fjc s PHE 60 CO 0.06 -0.93 1.64 1.17 0.70 0.00 0.00 175.22 177.86 1fjc n LYS 61 N -2.09 0.41 -3.55 0.44 4.81 -1.26 -4.41 118.16 112.51 1fjc n LYS 61 Ca 0.11 -0.20 -0.15 0.00 -0.87 0.00 0.00 58.31 57.21 1fjc n LYS 61 Cb 0.62 -1.50 -0.06 0.00 0.02 0.00 0.00 35.03 34.11 1fjc n LYS 61 CO 0.00 0.00 0.00 -1.12 1.17 0.00 0.00 177.40 177.45 1fjc s SER 62 N -2.72 -0.56 0.26 3.14 0.01 -1.26 -4.99 113.70 107.58 1fjc s SER 62 Ca 0.20 0.67 -0.01 0.00 1.31 0.00 0.00 55.95 58.12 1fjc s SER 62 Cb 0.19 0.54 0.54 0.00 0.21 0.00 0.00 66.02 67.50 1fjc s SER 62 CO 0.57 -0.47 1.76 -0.08 0.41 0.00 0.00 173.24 175.42 1fjc h GLU 63 N 3.05 0.58 -0.42 12.44 4.22 -1.89 0.31 114.58 132.87 1fjc h GLU 63 Ca -0.24 -0.04 -0.02 0.00 0.08 0.00 0.00 59.36 59.14 1fjc h GLU 63 Cb 1.15 -0.13 -0.02 0.00 0.50 0.00 0.00 28.75 30.25 1fjc h GLU 63 CO 0.33 0.39 0.18 0.00 -2.18 0.00 0.00 179.01 177.72 1fjc h ALA 64 N 1.57 1.53 0.25 2.92 0.00 -1.96 0.90 119.26 124.47 1fjc h ALA 64 Ca 0.47 -0.11 -0.01 0.00 0.00 0.00 0.00 54.91 55.26 1fjc h ALA 64 Cb 0.68 -0.17 0.00 0.00 0.00 0.00 0.00 17.79 18.30 1fjc h ALA 64 CO -0.37 0.37 -0.12 -0.44 0.00 0.00 0.00 179.25 178.69 1fjc h ASP 65 N 0.59 -0.28 -0.60 0.00 5.19 -0.84 1.03 116.42 121.51 1fjc h ASP 65 Ca 0.15 -0.24 -0.04 0.00 -0.62 0.00 0.00 57.03 56.28 1fjc h ASP 65 Cb 0.10 0.07 -0.03 0.00 0.18 0.00 0.00 39.33 39.66 1fjc h ASP 65 CO -0.02 0.15 0.25 0.00 -3.12 0.00 0.00 179.24 176.50 1fjc h ALA 66 N -0.22 1.26 -0.01 3.45 0.00 -0.84 -0.23 119.26 122.66 1fjc h ALA 66 Ca -0.03 -0.16 -0.08 0.00 0.00 0.00 0.00 54.91 54.64 1fjc h ALA 66 Cb 0.51 -0.25 0.01 0.00 0.00 0.00 0.00 17.79 18.05 1fjc h ALA 66 CO 0.06 0.55 -0.29 1.49 0.00 0.00 0.00 179.25 181.06 1fjc h GLU 67 N 0.91 0.22 -0.94 0.00 4.81 0.88 0.12 114.58 120.58 1fjc h GLU 67 Ca 0.21 -0.22 0.01 0.00 -0.13 0.00 0.00 59.36 59.24 1fjc h GLU 67 Cb 0.18 0.06 -0.05 0.00 0.63 0.00 0.00 28.75 29.57 1fjc h GLU 67 CO -0.02 0.92 0.62 -0.22 -0.73 0.00 0.00 179.01 179.58 1fjc h LYS 68 N -0.40 1.23 -0.03 1.92 1.63 0.12 0.22 116.57 121.27 1fjc h LYS 68 Ca -0.03 -0.08 -0.04 0.00 -0.85 0.00 0.00 60.65 59.65 1fjc h LYS 68 Cb 1.01 -0.28 0.00 0.00 -0.60 0.00 0.00 32.23 32.37 1fjc h LYS 68 CO 0.06 0.82 -0.13 -0.91 -3.45 0.00 0.00 179.45 175.84 1fjc h ASN 69 N 1.27 0.16 0.16 4.20 2.35 -1.09 0.62 115.58 123.26 1fjc h ASN 69 Ca 0.34 -0.66 -0.01 0.00 -0.55 0.00 0.00 56.30 55.42 1fjc h ASN 69 Cb -0.14 -0.05 -0.00 0.00 0.05 0.00 0.00 38.32 38.18 1fjc h ASN 69 CO -0.07 0.80 -0.06 0.25 -1.65 0.00 0.00 177.43 176.70 1fjc h LEU 70 N -0.47 0.00 0.00 1.61 6.46 -0.74 0.40 115.31 122.57 1fjc h LEU 70 Ca -0.01 0.00 0.00 0.00 -0.12 0.00 0.00 57.88 57.75 1fjc h LEU 70 Cb 0.79 0.00 0.00 0.00 -0.73 0.00 0.00 40.66 40.72 1fjc h LEU 70 CO 0.03 0.06 -1.95 1.21 -0.62 0.00 0.00 178.44 177.16 1fjc n GLU 71 N -3.77 0.63 0.00 1.25 2.13 0.77 -3.80 120.64 117.86 1fjc n GLU 71 Ca -0.02 -0.19 0.09 0.00 0.66 0.00 0.00 57.16 57.70 1fjc n GLU 71 Cb 0.15 -1.50 -0.06 0.00 0.27 0.00 0.00 31.44 30.30 1fjc n GLU 71 CO 0.00 0.00 0.00 -1.91 -0.41 0.00 0.00 177.13 174.81 1fjc n GLU 72 N -2.22 1.00 0.01 5.31 2.13 0.22 -4.77 120.64 122.31 1fjc n GLU 72 Ca -0.04 -0.43 -0.00 0.00 0.66 0.00 0.00 57.16 57.36 1fjc n GLU 72 Cb 0.55 -1.40 -0.00 0.00 0.27 0.00 0.00 31.44 30.85 1fjc n GLU 72 CO 0.00 0.00 0.00 1.17 -0.41 0.00 0.00 177.13 177.89 1fjc n LYS 73 N -0.82 0.01 -2.22 5.31 4.81 0.13 -5.00 118.16 120.39 1fjc n LYS 73 Ca 0.06 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.50 1fjc n LYS 73 Cb 0.36 -0.17 0.00 0.00 0.02 0.00 0.00 35.03 35.24 1fjc n LYS 73 CO 0.00 0.00 0.00 1.04 1.17 0.00 0.00 177.40 179.61 1fjc n GLN 74 N -2.74 -0.48 0.00 1.64 1.13 -1.24 -2.78 117.38 112.92 1fjc n GLN 74 Ca -0.00 0.66 0.00 0.00 -1.94 0.00 0.00 57.00 55.71 1fjc n GLN 74 Cb 0.01 -0.61 0.00 0.00 0.11 0.00 0.00 30.24 29.75 1fjc n GLN 74 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 1fjc n GLY 75 N 1.47 2.54 1.91 1.08 0.00 0.42 -4.81 105.19 107.81 1fjc n GLY 75 Ca 0.00 -0.63 0.00 0.00 0.00 0.00 0.00 46.02 45.39 1fjc n GLY 75 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1fjc n ALA 76 N 0.00 -0.61 -1.49 4.61 0.00 -1.12 -1.01 120.51 120.89 1fjc n ALA 76 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 1fjc n ALA 76 Cb 0.00 -0.40 0.00 0.00 0.00 0.00 0.00 19.45 19.05 1fjc n ALA 76 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.50 175.59 1fjc n GLU 77 N -1.91 -0.40 -4.22 0.00 4.07 -1.26 -4.90 120.64 112.02 1fjc n GLU 77 Ca 0.00 0.47 -0.14 0.00 -0.06 0.00 0.00 57.16 57.43 1fjc n GLU 77 Cb 0.31 -0.39 -0.09 0.00 -0.06 0.00 0.00 31.44 31.21 1fjc n GLU 77 CO 0.00 0.00 0.00 0.42 -0.06 0.00 0.00 177.13 177.49 1fjc s ILE 78 N -0.16 0.00 -0.52 6.31 1.09 0.71 -4.81 121.20 123.81 1fjc s ILE 78 Ca 0.00 -1.98 0.00 0.00 -1.10 0.00 0.00 60.65 57.57 1fjc s ILE 78 Cb 0.00 -2.50 0.00 0.00 -1.06 0.00 0.00 42.46 38.90 1fjc s ILE 78 CO 0.00 0.00 0.00 -0.67 -0.10 0.00 0.00 174.94 174.17 1fjc n ASP 79 N -0.68 -2.22 0.00 3.58 -0.08 -1.26 0.29 116.55 116.19 1fjc n ASP 79 Ca 0.04 0.32 0.00 0.00 -1.51 0.00 0.00 54.79 53.63 1fjc n ASP 79 Cb 0.65 -2.02 0.00 0.00 2.34 0.00 0.00 41.12 42.08 1fjc n ASP 79 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 1fjc n GLY 80 N -0.54 0.42 3.62 0.27 0.00 -1.26 -4.92 105.19 102.77 1fjc n GLY 80 Ca -0.07 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 45.86 1fjc n GLY 80 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1fjc s ARG 81 N -0.49 1.58 -0.08 1.61 0.52 0.85 -5.13 118.95 117.81 1fjc s ARG 81 Ca 0.00 -1.22 -0.22 0.00 -0.52 0.00 0.00 55.73 53.77 1fjc s ARG 81 Cb 0.00 0.49 -0.04 0.00 0.52 0.00 0.00 34.95 35.92 1fjc s ARG 81 CO 0.00 -0.67 0.63 -1.12 0.02 0.00 0.00 175.30 174.17 1fjc s SER 82 N -3.01 6.90 0.17 0.23 0.01 -1.26 0.25 113.70 117.00 1fjc s SER 82 Ca 0.21 1.08 -0.23 0.00 1.31 0.00 0.00 55.95 58.32 1fjc s SER 82 Cb -0.01 -2.37 -0.08 0.00 0.21 0.00 0.00 66.02 63.76 1fjc s SER 82 CO 0.09 -0.08 0.74 0.54 0.41 0.00 0.00 173.24 174.94 1fjc s VAL 83 N 0.73 4.46 0.13 3.43 0.11 -0.18 -4.78 120.40 124.30 1fjc s VAL 83 Ca 0.34 1.54 -0.10 0.00 -2.93 0.00 0.00 61.98 60.83 1fjc s VAL 83 Cb -0.17 -4.03 -0.06 0.00 -1.53 0.00 0.00 36.38 30.58 1fjc s VAL 83 CO 0.16 0.44 0.45 -0.44 -3.33 0.00 0.00 175.10 172.38 1fjc s SER 84 N -1.28 6.66 -0.23 3.54 0.01 0.51 0.16 113.70 123.07 1fjc s SER 84 Ca 0.37 0.84 -0.01 0.00 1.31 0.00 0.00 55.95 58.47 1fjc s SER 84 Cb -0.21 -2.20 0.02 0.00 0.21 0.00 0.00 66.02 63.85 1fjc s SER 84 CO 0.24 0.10 -0.10 -0.76 0.41 0.00 0.00 173.24 173.12 1fjc s LEU 85 N -2.18 2.89 -0.63 2.44 1.43 -1.26 0.24 118.68 121.62 1fjc s LEU 85 Ca 0.38 -0.82 -0.05 0.00 -1.03 0.00 0.00 54.13 52.61 1fjc s LEU 85 Cb -0.13 -1.61 0.16 0.00 0.03 0.00 0.00 46.19 44.64 1fjc s LEU 85 CO 0.20 -0.09 0.47 -0.31 0.23 0.00 0.00 176.35 176.85 1fjc s TYR 86 N 1.31 3.48 0.00 0.29 1.51 0.74 -4.87 117.35 119.80 1fjc s TYR 86 Ca 0.01 -2.51 0.00 0.00 -1.01 0.00 0.00 57.07 53.56 1fjc s TYR 86 Cb -0.16 -3.32 0.00 0.00 -0.11 0.00 0.00 41.96 38.37 1fjc s TYR 86 CO -0.07 -0.89 0.00 0.98 -1.11 0.00 0.00 175.55 174.47 1fjc n TYR 87 N 3.76 -1.23 -2.35 2.71 4.19 -1.26 0.26 117.16 123.23 1fjc n TYR 87 Ca 0.07 0.00 -0.03 0.00 3.31 0.00 0.00 57.90 61.24 1fjc n TYR 87 Cb 0.40 0.00 0.02 0.00 0.49 0.00 0.00 39.34 40.25 1fjc n TYR 87 CO 0.00 0.00 0.00 -2.37 0.91 0.00 0.00 176.86 175.40 1fjc n THR 88 N -2.43 0.10 -3.88 2.97 5.66 -1.24 -4.28 114.28 111.19 1fjc n THR 88 Ca 0.00 -0.69 -0.35 0.00 -3.05 0.00 0.00 64.05 59.96 1fjc n THR 88 Cb 0.00 0.79 -0.13 0.00 -1.55 0.00 0.00 70.33 69.44 1fjc n THR 88 CO 0.00 0.00 0.00 -0.83 -3.05 0.00 0.00 175.07 171.19 1fjc s GLY 89 N -1.39 1.85 0.00 1.09 0.00 -1.22 -4.48 107.32 103.17 1fjc s GLY 89 Ca 0.09 -2.10 0.00 0.00 0.00 0.00 0.00 44.72 42.71 1fjc s GLY 89 CO -0.07 0.83 0.00 -2.21 0.00 0.00 0.00 173.10 171.65 1fjc n GLU 90 N 4.57 -1.53 0.00 2.90 2.13 -1.26 -4.78 120.64 122.67 1fjc n GLU 90 Ca -0.08 0.38 0.00 0.00 0.66 0.00 0.00 57.16 58.13 1fjc n GLU 90 Cb 0.43 -4.55 0.00 0.00 0.27 0.00 0.00 31.44 27.58 1fjc n GLU 90 CO 0.00 0.00 0.00 1.17 -0.41 0.00 0.00 177.13 177.89 1fjc n LYS 91 N 0.09 0.00 0.00 5.31 3.00 -1.26 -5.08 118.16 120.21 1fjc n LYS 91 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 58.31 58.31 1fjc n LYS 91 Cb 0.38 -0.16 0.00 0.00 0.00 0.00 0.00 35.03 35.25 1fjc n LYS 91 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.40 177.81 1fjc n GLY 92 N 2.86 0.70 0.00 3.14 0.00 -1.26 -4.93 105.19 105.69 1fjc n GLY 92 Ca 0.00 -0.79 0.00 0.00 0.00 0.00 0.00 46.02 45.23 1fjc n GLY 92 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1fjc n GLY 93 N 0.00 -0.08 3.56 -0.02 0.00 -1.26 -5.06 105.19 102.33 1fjc n GLY 93 Ca 0.00 -0.14 -0.42 0.00 0.00 0.00 0.00 46.02 45.46 1fjc n GLY 93 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 1fjc s THR 94 N 0.00 4.76 -0.10 2.61 -1.32 -1.26 -4.66 115.64 115.67 1fjc s THR 94 Ca 0.00 0.55 -0.06 0.00 -1.21 0.00 0.00 61.69 60.97 1fjc s THR 94 Cb 0.00 -4.21 0.02 0.00 -1.51 0.00 0.00 72.50 66.80 1fjc s THR 94 CO 0.00 -0.51 0.12 -1.14 -2.21 0.00 0.00 174.62 170.88 1fjc n ARG 95 N 6.39 -2.90 -0.80 7.08 3.00 -1.26 -5.34 116.66 122.82 1fjc n ARG 95 Ca 0.01 2.33 0.00 0.00 -0.00 0.00 0.00 57.85 60.19 1fjc n ARG 95 Cb 0.48 -2.99 0.00 0.00 0.00 0.00 0.00 32.46 29.95 1fjc n ARG 95 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.63 178.04