#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1fjd n SER 29 N 0.00 -0.14 0.00 1.61 3.41 -1.26 -4.74 113.62 112.49 1fjd n SER 29 Ca 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.61 1fjd n SER 29 Cb 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 63.95 1fjd n SER 29 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1fjd n GLY 30 N 0.00 0.12 0.00 5.00 0.00 -1.26 -5.07 105.19 103.98 1fjd n GLY 30 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 1fjd n GLY 30 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 1fjd n PRO 31 N -1.10 2.03 -0.85 1.61 -0.02 -1.26 -4.94 135.00 130.47 1fjd n PRO 31 Ca 0.00 0.00 0.10 0.00 -2.02 0.00 0.00 63.50 61.58 1fjd n PRO 31 Cb 0.00 0.00 -0.05 0.00 -0.02 0.00 0.00 33.50 33.43 1fjd n PRO 31 CO 0.00 0.00 0.00 1.17 1.98 0.00 0.00 175.50 178.65 1fjd n LYS 32 N 0.00 -1.93 0.00 -0.52 3.00 -1.26 -5.07 118.16 112.38 1fjd n LYS 32 Ca 0.00 1.55 0.00 0.00 -0.00 0.00 0.00 58.31 59.86 1fjd n LYS 32 Cb 0.00 -2.27 0.00 0.00 0.00 0.00 0.00 35.03 32.76 1fjd n LYS 32 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.40 177.81 1fjd n GLY 33 N -3.43 -0.34 0.00 3.14 0.00 -1.26 -5.09 105.19 98.21 1fjd n GLY 33 Ca -0.05 0.27 0.00 0.00 0.00 0.00 0.00 46.02 46.24 1fjd n GLY 33 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1fjd n GLY 34 N -0.00 3.11 0.35 -0.02 0.00 -1.26 -4.99 105.19 102.38 1fjd n GLY 34 Ca 0.00 -0.41 0.04 0.00 0.00 0.00 0.00 46.02 45.66 1fjd n GLY 34 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1fjd n GLY 35 N 0.00 -2.70 0.26 -0.02 0.00 -1.26 -4.72 105.19 96.75 1fjd n GLY 35 Ca 0.00 -1.36 -0.11 0.00 0.00 0.00 0.00 46.02 44.55 1fjd n GLY 35 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 1fjd n ASN 36 N -2.64 2.20 -4.60 1.61 6.94 -1.26 -4.98 115.26 112.53 1fjd n ASN 36 Ca -0.02 0.02 -0.32 0.00 -0.02 0.00 0.00 54.58 54.24 1fjd n ASN 36 Cb 0.17 -0.29 -0.10 0.00 -2.36 0.00 0.00 39.78 37.20 1fjd n ASN 36 CO 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 177.26 176.23 1fjd s ALA 37 N -2.26 3.03 -0.01 -2.53 0.00 -1.26 -3.91 121.76 114.83 1fjd s ALA 37 Ca -0.18 -1.00 -0.16 0.00 0.00 0.00 0.00 51.96 50.61 1fjd s ALA 37 Cb 0.06 -1.15 0.03 0.00 0.00 0.00 0.00 23.12 22.05 1fjd s ALA 37 CO 0.28 0.61 0.35 0.14 0.00 0.00 0.00 175.76 177.14 1fjd s VAL 38 N -0.98 0.05 -0.94 0.00 -7.23 -1.08 0.12 120.40 110.34 1fjd s VAL 38 Ca 0.17 -0.45 -0.19 0.00 -1.81 0.00 0.00 61.98 59.69 1fjd s VAL 38 Cb -0.11 -0.71 0.12 0.00 0.56 0.00 0.00 36.38 36.25 1fjd s VAL 38 CO 0.07 -0.25 1.16 -0.54 -0.31 0.00 0.00 175.10 175.24 1fjd s LYS 39 N -1.51 3.60 -0.07 4.82 -0.14 -0.95 -2.66 119.74 122.83 1fjd s LYS 39 Ca -0.12 -1.69 -0.06 0.00 -1.36 0.00 0.00 55.97 52.74 1fjd s LYS 39 Cb -0.04 -4.97 -0.04 0.00 -1.68 0.00 0.00 37.83 31.10 1fjd s LYS 39 CO 0.04 -1.82 0.18 0.54 -0.76 0.00 0.00 175.35 173.52 1fjd s VAL 40 N 2.94 5.45 0.09 3.17 0.11 -1.23 0.24 120.40 131.17 1fjd s VAL 40 Ca 0.34 0.10 0.10 0.00 -2.93 0.00 0.00 61.98 59.60 1fjd s VAL 40 Cb -0.04 -3.47 -0.04 0.00 -1.53 0.00 0.00 36.38 31.30 1fjd s VAL 40 CO -0.10 0.50 -0.25 -0.13 -3.33 0.00 0.00 175.10 171.79 1fjd s ARG 41 N -1.41 1.64 -0.12 1.54 1.81 -0.58 -0.40 118.95 121.43 1fjd s ARG 41 Ca 0.21 -1.22 0.01 0.00 -1.72 0.00 0.00 55.73 53.00 1fjd s ARG 41 Cb -0.12 -1.98 0.02 0.00 -0.45 0.00 0.00 34.95 32.41 1fjd s ARG 41 CO 0.10 0.48 -0.13 -3.38 -0.68 0.00 0.00 175.30 171.69 1fjd s HIS 42 N -0.98 1.93 0.06 -0.53 -3.43 0.64 -2.85 115.29 110.13 1fjd s HIS 42 Ca 0.14 -1.00 0.09 0.00 -0.80 0.00 0.00 55.06 53.49 1fjd s HIS 42 Cb -0.10 -1.44 -0.03 0.00 -1.43 0.00 0.00 32.58 29.57 1fjd s HIS 42 CO 0.05 -0.56 -0.25 0.42 -2.00 0.00 0.00 174.74 172.40 1fjd s ILE 43 N 1.34 2.24 0.04 -5.38 1.01 -1.14 -4.04 121.20 115.27 1fjd s ILE 43 Ca 0.00 -1.43 0.02 0.00 0.00 0.00 0.00 60.65 59.25 1fjd s ILE 43 Cb -0.14 -1.90 -0.02 0.00 0.01 0.00 0.00 42.46 40.41 1fjd s ILE 43 CO -0.07 0.32 -0.08 -0.76 0.00 0.00 0.00 174.94 174.35 1fjd s LEU 44 N -1.41 2.26 -0.00 2.97 1.43 -1.26 -1.04 118.68 121.63 1fjd s LEU 44 Ca 0.12 -0.56 0.03 0.00 -1.03 0.00 0.00 54.13 52.70 1fjd s LEU 44 Cb -0.10 -0.18 -0.04 0.00 0.03 0.00 0.00 46.19 45.90 1fjd s LEU 44 CO 0.03 -0.20 0.11 0.00 0.23 0.00 0.00 176.35 176.52 1fjd n GLU 46 N -1.34 0.00 0.05 0.00 2.13 -1.26 -3.41 120.64 116.80 1fjd n GLU 46 Ca 0.00 0.00 0.12 0.00 0.66 0.00 0.00 57.16 57.94 1fjd n GLU 46 Cb 0.07 0.00 0.15 0.00 0.27 0.00 0.00 31.44 31.93 1fjd n GLU 46 CO 0.00 0.00 0.00 1.63 -0.41 0.00 0.00 177.13 178.35 1fjd n LYS 47 N 0.00 0.25 -1.38 5.31 5.02 -1.26 -4.87 118.16 121.24 1fjd n LYS 47 Ca 0.00 0.06 -0.13 0.00 -2.02 0.00 0.00 58.31 56.22 1fjd n LYS 47 Cb 0.00 -1.64 -0.06 0.00 -0.02 0.00 0.00 35.03 33.31 1fjd n LYS 47 CO 0.00 0.00 0.00 0.72 -0.52 0.00 0.00 177.40 177.60 1fjd n HIS 48 N -2.00 0.00 -0.02 2.13 8.25 -1.22 -4.84 115.22 117.53 1fjd n HIS 48 Ca 0.03 0.00 -0.13 0.00 -0.26 0.00 0.00 57.72 57.37 1fjd n HIS 48 Cb 0.42 -2.89 -0.10 0.00 1.12 0.00 0.00 29.99 28.54 1fjd n HIS 48 CO 0.00 0.00 0.00 0.78 0.64 0.00 0.00 176.34 177.76 1fjd h GLY 49 N 0.00 -0.04 0.74 -1.41 0.00 -1.91 -3.23 103.07 97.21 1fjd h GLY 49 Ca -0.26 0.02 0.00 0.00 0.00 0.00 0.00 47.33 47.08 1fjd h GLY 49 CO 0.39 -0.02 -0.21 0.58 0.00 0.00 0.00 176.54 177.28 1fjd n LYS 50 N -4.80 0.60 -0.31 4.80 0.00 -1.26 -3.79 118.16 113.40 1fjd n LYS 50 Ca -0.09 -0.28 0.30 0.00 -0.00 0.00 0.00 58.31 58.24 1fjd n LYS 50 Cb 0.32 -1.49 0.66 0.00 -0.00 0.00 0.00 35.03 34.52 1fjd n LYS 50 CO 0.00 0.00 0.00 0.97 0.00 0.00 0.00 177.40 178.37 1fjd h ILE 51 N 0.69 0.45 0.09 0.58 6.09 -1.81 2.99 117.51 126.59 1fjd h ILE 51 Ca 0.00 -0.05 -0.29 0.00 -1.37 0.00 0.00 64.86 63.15 1fjd h ILE 51 Cb 0.44 0.30 -0.02 0.00 0.47 0.00 0.00 36.82 38.02 1fjd h ILE 51 CO 0.00 0.03 -1.48 0.00 -3.07 0.00 0.00 178.15 173.62 1fjd h MET 52 N 0.14 0.18 0.00 2.19 -0.00 -1.76 -0.91 114.93 114.78 1fjd h MET 52 Ca 0.57 -0.31 -0.02 0.00 -0.00 0.00 0.00 59.70 59.94 1fjd h MET 52 Cb 1.96 0.12 -0.00 0.00 -0.00 0.00 0.00 31.60 33.68 1fjd h MET 52 CO -0.12 1.02 -0.08 1.49 -0.00 0.00 0.00 176.91 179.22 1fjd h GLU 53 N 0.05 0.00 -0.03 -0.10 4.57 0.17 0.85 114.58 120.09 1fjd h GLU 53 Ca -0.22 0.00 -0.21 0.00 -1.18 0.00 0.00 59.36 57.75 1fjd h GLU 53 Cb 1.98 0.00 -0.00 0.00 -0.16 0.00 0.00 28.75 30.57 1fjd h GLU 53 CO 0.15 0.08 -0.86 0.00 -1.18 0.00 0.00 179.01 177.20 1fjd h ALA 54 N 1.92 0.45 0.74 2.92 0.00 0.48 0.69 119.26 126.45 1fjd h ALA 54 Ca -0.00 -0.67 -0.04 0.00 0.00 0.00 0.00 54.91 54.20 1fjd h ALA 54 Cb 0.15 -0.04 0.01 0.00 0.00 0.00 0.00 17.79 17.91 1fjd h ALA 54 CO 0.01 0.80 -0.35 0.52 0.00 0.00 0.00 179.25 180.23 1fjd h MET 55 N 0.24 -0.95 0.45 0.00 2.86 0.14 -2.62 114.93 115.05 1fjd h MET 55 Ca -0.06 0.07 -0.02 0.00 -2.06 0.00 0.00 59.70 57.63 1fjd h MET 55 Cb 1.47 0.22 -0.00 0.00 0.06 0.00 0.00 31.60 33.35 1fjd h MET 55 CO 0.15 -0.64 -0.25 0.93 1.06 0.00 0.00 176.91 178.16 1fjd h GLU 56 N -1.26 -0.63 0.00 1.72 5.08 0.35 -2.91 114.58 116.94 1fjd h GLU 56 Ca -0.10 0.04 0.00 0.00 -1.00 0.00 0.00 59.36 58.30 1fjd h GLU 56 Cb 0.76 0.14 0.00 0.00 0.50 0.00 0.00 28.75 30.15 1fjd h GLU 56 CO 0.17 -0.42 0.00 1.63 -1.00 0.00 0.00 179.01 179.38 1fjd n LYS 57 N -5.39 0.00 -0.40 2.33 5.02 0.23 0.19 118.16 120.14 1fjd n LYS 57 Ca -0.11 0.74 0.32 0.00 -2.02 0.00 0.00 58.31 57.24 1fjd n LYS 57 Cb 0.29 -1.28 0.52 0.00 -0.02 0.00 0.00 35.03 34.53 1fjd n LYS 57 CO 0.00 0.00 0.00 1.28 -0.52 0.00 0.00 177.40 178.16 1fjd n LEU 58 N -2.06 0.08 -0.07 -0.35 4.32 -0.99 -0.81 117.00 117.13 1fjd n LEU 58 Ca 0.00 0.84 -0.04 0.00 -0.02 0.00 0.00 56.01 56.79 1fjd n LEU 58 Cb 0.00 -0.42 -0.02 0.00 -1.62 0.00 0.00 43.42 41.37 1fjd n LEU 58 CO 0.00 -0.89 -0.33 0.11 -1.22 0.00 0.00 177.39 175.06 1fjd h LYS 59 N 0.00 0.00 -1.76 3.23 1.57 0.98 -3.37 116.57 117.22 1fjd h LYS 59 Ca 0.63 0.00 0.53 0.00 -1.87 0.00 0.00 60.65 59.94 1fjd h LYS 59 Cb 2.27 0.00 -0.09 0.00 0.08 0.00 0.00 32.23 34.49 1fjd h LYS 59 CO -0.18 0.01 1.24 0.77 -0.57 0.00 0.00 179.45 180.72 1fjd h SER 60 N -1.00 0.06 0.00 0.86 0.02 0.41 -3.42 113.55 110.48 1fjd h SER 60 Ca -0.00 0.04 0.00 0.00 -0.84 0.00 0.00 61.79 60.99 1fjd h SER 60 Cb 0.49 0.04 0.00 0.00 0.14 0.00 0.00 62.40 63.06 1fjd h SER 60 CO -0.00 -0.06 0.00 0.61 -1.14 0.00 0.00 176.83 176.24 1fjd n GLY 61 N -1.81 0.92 0.00 -3.77 0.00 -0.50 -5.06 105.19 94.97 1fjd n GLY 61 Ca 0.42 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.44 1fjd n GLY 61 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 173.32 174.35 1fjd n MET 62 N 0.00 2.48 -3.91 1.61 2.81 -1.04 -4.95 117.12 114.11 1fjd n MET 62 Ca 0.00 0.00 -0.34 0.00 -1.81 0.00 0.00 57.70 55.55 1fjd n MET 62 Cb 0.00 0.00 -0.05 0.00 -0.71 0.00 0.00 33.22 32.46 1fjd n MET 62 CO 0.00 0.00 0.00 1.03 1.51 0.00 0.00 175.97 178.51 1fjd s ARG 63 N 0.00 3.41 -0.10 0.03 3.00 -1.26 -4.84 118.95 119.19 1fjd s ARG 63 Ca 0.00 -0.28 -0.02 0.00 0.00 0.00 0.00 55.73 55.43 1fjd s ARG 63 Cb 0.00 -3.11 -0.26 0.00 0.00 0.00 0.00 34.95 31.59 1fjd s ARG 63 CO 0.00 0.70 0.46 0.74 0.00 0.00 0.00 175.30 177.20 1fjd h PHE 64 N 4.16 0.39 0.09 -0.53 -1.00 -1.93 -3.31 116.94 114.80 1fjd h PHE 64 Ca -0.51 -0.28 -0.35 0.00 2.81 0.00 0.00 57.97 59.65 1fjd h PHE 64 Cb 1.20 -0.02 -0.03 0.00 3.61 0.00 0.00 35.95 40.71 1fjd h PHE 64 CO 0.69 1.60 -1.95 0.27 -1.61 0.00 0.00 178.31 177.31 1fjd n ASN 65 N -3.39 1.77 0.01 2.17 0.23 -0.67 -2.19 115.26 113.20 1fjd n ASN 65 Ca -0.28 0.25 -0.11 0.00 -0.53 0.00 0.00 54.58 53.90 1fjd n ASN 65 Cb 1.05 -0.62 -0.06 0.00 -2.08 0.00 0.00 39.78 38.08 1fjd n ASN 65 CO 0.00 0.00 0.00 -0.33 -0.93 0.00 0.00 177.26 176.00 1fjd h GLU 66 N 0.05 0.09 -0.35 -3.83 5.08 -1.81 0.48 114.58 114.28 1fjd h GLU 66 Ca -0.40 -0.01 -0.00 0.00 -1.00 0.00 0.00 59.36 57.96 1fjd h GLU 66 Cb 2.03 -0.02 -0.02 0.00 0.50 0.00 0.00 28.75 31.24 1fjd h GLU 66 CO 0.08 0.06 0.22 -0.39 -1.00 0.00 0.00 179.01 177.97 1fjd h VAL 67 N 0.09 1.12 -1.07 3.13 -1.51 -1.73 0.12 116.25 116.40 1fjd h VAL 67 Ca 0.03 -0.27 0.31 0.00 -1.23 0.00 0.00 66.70 65.54 1fjd h VAL 67 Cb -0.01 0.66 -0.04 0.00 -2.13 0.00 0.00 31.29 29.76 1fjd h VAL 67 CO -0.01 0.12 0.80 0.00 -1.23 0.00 0.00 177.57 177.25 1fjd h ALA 68 N 1.09 2.99 -1.61 5.19 0.00 -0.64 1.65 119.26 127.93 1fjd h ALA 68 Ca 0.13 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 55.00 1fjd h ALA 68 Cb 0.00 0.08 0.00 0.00 0.00 0.00 0.00 17.79 17.87 1fjd h ALA 68 CO -0.02 -1.35 0.00 0.00 0.00 0.00 0.00 179.25 177.88 1fjd n ALA 69 N -2.70 -0.16 -0.03 0.00 0.00 0.15 -3.34 120.51 114.44 1fjd n ALA 69 Ca 0.23 0.00 -0.15 0.00 0.00 0.00 0.00 53.44 53.51 1fjd n ALA 69 Cb 1.16 0.00 -0.14 0.00 0.00 0.00 0.00 19.45 20.47 1fjd n ALA 69 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.50 178.54 1fjd n GLN 70 N -1.20 0.70 0.02 0.00 3.00 -0.83 -3.50 117.38 115.57 1fjd n GLN 70 Ca 0.00 0.24 0.20 0.00 -0.01 0.00 0.00 57.00 57.43 1fjd n GLN 70 Cb 0.00 -1.71 0.70 0.00 0.00 0.00 0.00 30.24 29.23 1fjd n GLN 70 CO 0.00 0.00 0.00 1.88 0.00 0.00 0.00 177.06 178.94 1fjd h TYR 71 N 0.03 0.00 -2.93 1.08 -1.99 0.22 -3.38 116.97 110.00 1fjd h TYR 71 Ca -0.40 0.00 0.00 0.00 2.00 0.00 0.00 58.73 60.33 1fjd h TYR 71 Cb 2.03 0.00 0.00 0.00 2.00 0.00 0.00 36.73 40.76 1fjd h TYR 71 CO 0.04 0.00 0.00 -1.13 -0.00 0.00 0.00 178.16 177.07 1fjd n SER 72 N -4.31 0.00 -2.77 3.88 3.41 -0.45 -3.89 113.62 109.50 1fjd n SER 72 Ca 0.09 -0.02 -0.02 0.00 -0.26 0.00 0.00 58.87 58.66 1fjd n SER 72 Cb 0.59 0.00 0.07 0.00 -0.26 0.00 0.00 64.21 64.61 1fjd n SER 72 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 1fjd n GLU 73 N -0.02 1.54 0.00 4.33 1.02 -0.11 -4.54 120.64 122.86 1fjd n GLU 73 Ca 0.00 -2.73 0.00 0.00 -0.02 0.00 0.00 57.16 54.41 1fjd n GLU 73 Cb 0.00 -0.90 0.00 0.00 -0.02 0.00 0.00 31.44 30.52 1fjd n GLU 73 CO 0.00 0.00 0.00 -0.40 1.18 0.00 0.00 177.13 177.91 1fjd n ASP 74 N -0.83 0.00 -4.65 1.62 5.68 -1.25 -4.91 116.55 112.21 1fjd n ASP 74 Ca -0.01 0.00 -0.63 0.00 -0.50 0.00 0.00 54.79 53.65 1fjd n ASP 74 Cb 0.83 0.00 -0.09 0.00 -1.14 0.00 0.00 41.12 40.71 1fjd n ASP 74 CO 0.00 0.00 0.00 1.17 -1.33 0.00 0.00 177.20 177.04 1fjd n LYS 75 N 0.00 0.35 -0.00 0.11 3.00 -1.26 -4.69 118.16 115.67 1fjd n LYS 75 Ca 0.00 0.12 0.08 0.00 -0.00 0.00 0.00 58.31 58.51 1fjd n LYS 75 Cb 0.00 -1.70 -0.10 0.00 0.00 0.00 0.00 35.03 33.22 1fjd n LYS 75 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40 1fjd n ALA 76 N 5.18 3.48 -1.37 3.14 0.00 -1.26 -2.50 120.51 127.18 1fjd n ALA 76 Ca 0.34 -0.42 -0.51 0.00 0.00 0.00 0.00 53.44 52.85 1fjd n ALA 76 Cb 0.01 -0.56 -0.13 0.00 0.00 0.00 0.00 19.45 18.77 1fjd n ALA 76 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 177.50 175.37 1fjd n ARG 77 N -1.63 0.07 0.00 0.00 0.63 -1.26 -2.68 116.66 111.79 1fjd n ARG 77 Ca 0.01 0.01 0.00 0.00 -0.92 0.00 0.00 57.85 56.95 1fjd n ARG 77 Cb 0.31 -1.58 0.00 0.00 0.45 0.00 0.00 32.46 31.63 1fjd n ARG 77 CO 0.00 0.00 0.00 0.94 -2.51 0.00 0.00 177.63 176.06 1fjd n GLN 78 N 7.99 0.00 -1.17 -0.14 0.00 -1.26 -1.14 117.38 121.65 1fjd n GLN 78 Ca 0.59 0.00 -0.02 0.00 -0.00 0.00 0.00 57.00 57.57 1fjd n GLN 78 Cb 0.01 0.00 0.00 0.00 0.00 0.00 0.00 30.24 30.26 1fjd n GLN 78 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.06 177.47 1fjd n GLY 79 N 0.00 0.03 1.56 1.69 0.00 -1.09 -1.68 105.19 105.70 1fjd n GLY 79 Ca 0.00 -0.03 0.00 0.00 0.00 0.00 0.00 46.02 45.99 1fjd n GLY 79 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1fjd n GLY 80 N -0.23 0.74 3.40 -0.02 0.00 -0.30 -0.59 105.19 108.19 1fjd n GLY 80 Ca -0.10 -0.70 -0.10 0.00 0.00 0.00 0.00 46.02 45.12 1fjd n GLY 80 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 1fjd n ASP 81 N 1.56 0.18 0.21 1.61 2.03 -1.02 -0.26 116.55 120.87 1fjd n ASP 81 Ca 0.00 -1.91 0.16 0.00 0.52 0.00 0.00 54.79 53.56 1fjd n ASP 81 Cb 0.43 -1.30 0.65 0.00 -0.72 0.00 0.00 41.12 40.18 1fjd n ASP 81 CO 0.00 0.00 0.00 -0.07 -1.92 0.00 0.00 177.20 175.21 1fjd h LEU 82 N 17.74 0.00 0.00 -2.67 4.07 -1.06 -3.47 115.31 129.92 1fjd h LEU 82 Ca 0.00 0.00 0.00 0.00 0.08 0.00 0.00 57.88 57.96 1fjd h LEU 82 Cb 1.01 0.00 0.00 0.00 1.08 0.00 0.00 40.66 42.75 1fjd h LEU 82 CO 1.04 0.00 0.00 0.61 -1.08 0.00 0.00 178.44 179.01 1fjd n GLY 83 N -1.39 0.06 3.55 0.83 0.00 -1.21 -4.90 105.19 102.14 1fjd n GLY 83 Ca 0.03 -1.88 -0.58 0.00 0.00 0.00 0.00 46.02 43.60 1fjd n GLY 83 CO 0.00 0.00 0.00 0.79 0.00 0.00 0.00 173.32 174.11 1fjd n TRP 84 N 0.12 1.00 -3.87 1.61 7.02 -1.26 -4.13 117.44 117.94 1fjd n TRP 84 Ca 0.00 0.94 -0.11 0.00 -1.02 0.00 0.00 57.50 57.31 1fjd n TRP 84 Cb 0.00 -2.18 -0.11 0.00 -2.42 0.00 0.00 31.31 26.60 1fjd n TRP 84 CO 0.00 0.00 0.00 -1.64 -2.02 0.00 0.00 177.69 174.03 1fjd s MET 85 N 0.51 0.30 0.11 -0.99 -1.94 -1.09 -4.89 119.30 111.31 1fjd s MET 85 Ca 0.91 -0.18 0.09 0.00 -1.71 0.00 0.00 55.69 54.80 1fjd s MET 85 Cb -1.20 0.13 -0.04 0.00 2.01 0.00 0.00 34.83 35.73 1fjd s MET 85 CO 0.57 -0.06 -0.22 0.95 -0.01 0.00 0.00 175.02 176.24 1fjd s THR 86 N -0.74 1.86 0.33 2.05 -4.23 -1.25 -2.64 115.64 111.01 1fjd s THR 86 Ca -0.08 -1.60 0.14 0.00 -1.18 0.00 0.00 61.69 58.96 1fjd s THR 86 Cb -0.05 -1.68 0.36 0.00 1.34 0.00 0.00 72.50 72.47 1fjd s THR 86 CO 0.01 -0.02 1.51 -1.14 -0.54 0.00 0.00 174.62 174.43 1fjd n ARG 87 N 1.03 -0.06 -0.04 3.99 0.63 -1.25 0.24 116.66 121.20 1fjd n ARG 87 Ca -0.19 1.36 0.24 0.00 -0.92 0.00 0.00 57.85 58.34 1fjd n ARG 87 Cb 0.53 -2.34 0.67 0.00 0.45 0.00 0.00 32.46 31.78 1fjd n ARG 87 CO 0.00 0.00 0.00 0.78 -2.51 0.00 0.00 177.63 175.90 1fjd h GLY 88 N 0.00 0.00 0.00 5.14 0.00 -1.95 -2.08 103.07 104.18 1fjd h GLY 88 Ca 0.73 0.00 -0.22 0.00 0.00 0.00 0.00 47.33 47.84 1fjd h GLY 88 CO -0.79 0.00 -1.83 -1.26 0.00 0.00 0.00 176.54 172.66 1fjd n SER 89 N -3.65 2.78 -3.53 0.19 2.88 0.67 -5.01 113.62 107.94 1fjd n SER 89 Ca 0.14 -0.07 0.00 0.00 -1.33 0.00 0.00 58.87 57.61 1fjd n SER 89 Cb 0.93 -0.11 0.00 0.00 -0.75 0.00 0.00 64.21 64.28 1fjd n SER 89 CO 0.00 0.00 0.00 0.23 -1.23 0.00 0.00 175.04 174.04 1fjd n MET 90 N -2.87 0.88 -2.64 -1.46 2.00 -0.07 -4.99 117.12 107.97 1fjd n MET 90 Ca -0.25 0.00 -0.07 0.00 0.00 0.00 0.00 57.70 57.38 1fjd n MET 90 Cb 0.79 0.00 -0.02 0.00 0.00 0.00 0.00 33.22 33.99 1fjd n MET 90 CO 0.00 0.00 0.00 1.55 0.00 0.00 0.00 175.97 177.52 1fjd n VAL 91 N -0.71 0.00 0.07 2.03 3.14 -1.26 -4.89 118.33 116.71 1fjd n VAL 91 Ca 0.00 -0.62 -0.03 0.00 -2.96 0.00 0.00 64.34 60.73 1fjd n VAL 91 Cb 0.00 0.20 -0.01 0.00 -1.06 0.00 0.00 33.84 32.97 1fjd n VAL 91 CO 0.00 0.00 0.00 1.23 -6.46 0.00 0.00 176.83 171.60 1fjd h GLY 92 N 0.40 -0.21 0.17 7.55 0.00 -1.97 -2.97 103.07 106.04 1fjd h GLY 92 Ca -0.09 0.08 -0.01 0.00 0.00 0.00 0.00 47.33 47.31 1fjd h GLY 92 CO 0.14 -0.08 -0.14 -2.55 0.00 0.00 0.00 176.54 173.91 1fjd h PRO 93 N -0.40 -0.29 -1.13 4.80 0.10 -1.91 2.31 132.00 135.48 1fjd h PRO 93 Ca -0.02 0.02 0.42 0.00 0.10 0.00 0.00 66.00 66.52 1fjd h PRO 93 Cb 0.15 0.07 -0.16 0.00 0.10 0.00 0.00 31.00 31.16 1fjd h PRO 93 CO 0.03 -0.19 0.67 0.35 0.10 0.00 0.00 178.00 178.96 1fjd h PHE 94 N -0.30 0.73 0.11 0.65 3.57 -1.81 0.08 116.94 119.96 1fjd h PHE 94 Ca -0.02 0.03 -0.32 0.00 3.53 0.00 0.00 57.97 61.19 1fjd h PHE 94 Cb 0.26 -0.17 -0.01 0.00 2.79 0.00 0.00 35.95 38.81 1fjd h PHE 94 CO -0.06 -0.34 -1.69 0.37 -2.23 0.00 0.00 178.31 174.36 1fjd h GLN 95 N 0.07 0.24 -1.63 1.11 4.15 -1.29 -3.35 115.11 114.42 1fjd h GLN 95 Ca 0.83 -0.40 0.51 0.00 0.77 0.00 0.00 58.65 60.36 1fjd h GLN 95 Cb 2.32 0.15 -0.11 0.00 0.21 0.00 0.00 27.48 30.06 1fjd h GLN 95 CO -0.62 1.19 1.12 0.93 -1.93 0.00 0.00 178.83 179.52 1fjd h GLU 96 N -0.20 0.02 0.00 1.69 5.08 0.59 -0.47 114.58 121.29 1fjd h GLU 96 Ca -0.37 -0.00 0.00 0.00 -1.00 0.00 0.00 59.36 57.99 1fjd h GLU 96 Cb 1.85 -0.00 0.00 0.00 0.50 0.00 0.00 28.75 31.10 1fjd h GLU 96 CO 0.04 0.01 0.00 0.00 -1.00 0.00 0.00 179.01 178.07 1fjd n ALA 97 N -2.71 -0.00 -0.08 3.43 0.00 -1.07 -3.37 120.51 116.71 1fjd n ALA 97 Ca 0.41 0.00 -0.07 0.00 0.00 0.00 0.00 53.44 53.78 1fjd n ALA 97 Cb 1.73 0.00 -0.05 0.00 0.00 0.00 0.00 19.45 21.13 1fjd n ALA 97 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1fjd h ALA 98 N -2.00 -0.51 -1.15 0.00 0.00 -1.59 1.53 119.26 115.53 1fjd h ALA 98 Ca 0.00 0.00 0.33 0.00 0.00 0.00 0.00 54.91 55.25 1fjd h ALA 98 Cb 0.00 0.94 -0.05 0.00 0.00 0.00 0.00 17.79 18.68 1fjd h ALA 98 CO 0.00 -0.65 1.07 0.74 0.00 0.00 0.00 179.25 180.41 1fjd h PHE 99 N -0.18 0.00 -0.01 0.00 -1.00 -1.32 1.56 116.94 115.99 1fjd h PHE 99 Ca 0.04 0.00 0.00 0.00 2.81 0.00 0.00 57.97 60.82 1fjd h PHE 99 Cb 0.28 0.00 0.00 0.00 3.61 0.00 0.00 35.95 39.84 1fjd h PHE 99 CO -0.69 0.00 -0.15 0.00 -1.61 0.00 0.00 178.31 175.86 1fjd n ALA 100 N -2.48 2.77 -2.56 2.45 0.00 0.15 -4.38 120.51 116.47 1fjd n ALA 100 Ca 0.25 -0.55 -0.26 0.00 0.00 0.00 0.00 53.44 52.88 1fjd n ALA 100 Cb 1.43 -0.48 -0.11 0.00 0.00 0.00 0.00 19.45 20.30 1fjd n ALA 100 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 1fjd s LEU 101 N -1.55 2.74 0.63 0.00 1.43 0.53 -5.02 118.68 117.45 1fjd s LEU 101 Ca 0.14 -1.29 -0.18 0.00 -1.03 0.00 0.00 54.13 51.77 1fjd s LEU 101 Cb 0.11 -0.88 -0.02 0.00 0.03 0.00 0.00 46.19 45.44 1fjd s LEU 101 CO 0.27 -0.36 1.26 -2.16 0.23 0.00 0.00 176.35 175.59 1fjd s PRO 102 N -3.69 2.66 0.00 1.29 0.04 -1.26 -4.72 135.00 129.32 1fjd s PRO 102 Ca 0.34 1.97 0.00 0.00 0.04 0.00 0.00 61.00 63.35 1fjd s PRO 102 Cb 0.06 -1.87 0.00 0.00 0.04 0.00 0.00 34.50 32.73 1fjd s PRO 102 CO 0.17 -1.49 0.00 1.33 0.04 0.00 0.00 177.00 177.05 1fjd n VAL 103 N -1.85 0.00 -1.34 -0.36 0.24 -1.26 -4.65 118.33 109.11 1fjd n VAL 103 Ca 0.15 0.00 0.16 0.00 -2.04 0.00 0.00 64.34 62.61 1fjd n VAL 103 Cb 0.49 0.00 -0.07 0.00 -1.47 0.00 0.00 33.84 32.79 1fjd n VAL 103 CO 0.00 0.00 0.00 -1.20 -2.14 0.00 0.00 176.83 173.49 1fjd n SER 104 N -0.44 -7.27 0.00 -1.34 7.64 0.62 -3.91 113.62 108.93 1fjd n SER 104 Ca 0.00 1.06 0.00 0.00 1.01 0.00 0.00 58.87 60.94 1fjd n SER 104 Cb 0.00 -4.42 0.00 0.00 -1.01 0.00 0.00 64.21 58.78 1fjd n SER 104 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1fjd n GLY 105 N -4.09 3.48 5.01 0.23 0.00 -1.24 -2.79 105.19 105.80 1fjd n GLY 105 Ca -0.06 -0.33 0.00 0.00 0.00 0.00 0.00 46.02 45.64 1fjd n GLY 105 CO 0.00 0.00 0.00 -0.13 0.00 0.00 0.00 173.32 173.19 1fjd n MET 106 N 0.00 0.00 0.00 1.61 0.00 -1.26 -3.75 117.12 113.72 1fjd n MET 106 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 57.70 57.70 1fjd n MET 106 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 33.22 33.22 1fjd n MET 106 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 175.97 175.57 1fjd n ASP 107 N 0.64 0.00 -0.08 6.12 5.68 -1.26 -4.62 116.55 123.03 1fjd n ASP 107 Ca 0.00 0.00 -0.21 0.00 -0.50 0.00 0.00 54.79 54.08 1fjd n ASP 107 Cb 0.00 0.00 -0.12 0.00 -1.14 0.00 0.00 41.12 39.86 1fjd n ASP 107 CO 0.00 0.00 0.00 0.50 -1.33 0.00 0.00 177.20 176.37 1fjd h LYS 108 N 0.00 0.05 0.15 0.11 3.64 -1.96 -3.42 116.57 115.14 1fjd h LYS 108 Ca 0.00 -0.09 -0.01 0.00 -1.27 0.00 0.00 60.65 59.29 1fjd h LYS 108 Cb 0.00 0.03 0.00 0.00 -0.41 0.00 0.00 32.23 31.85 1fjd h LYS 108 CO 0.00 1.04 -0.07 -1.35 -2.27 0.00 0.00 179.45 176.80 1fjd h PRO 109 N -0.83 -0.20 0.00 1.90 0.11 -1.93 -3.45 132.00 127.61 1fjd h PRO 109 Ca -0.32 0.01 -0.05 0.00 0.11 0.00 0.00 66.00 65.75 1fjd h PRO 109 Cb 1.40 0.04 0.03 0.00 0.11 0.00 0.00 31.00 32.58 1fjd h PRO 109 CO -0.14 -0.13 -0.02 1.33 -0.21 0.00 0.00 178.00 178.83 1fjd n VAL 110 N -2.63 0.00 0.00 3.15 0.24 -1.25 -4.96 118.33 112.87 1fjd n VAL 110 Ca -0.03 0.00 0.00 0.00 -2.04 0.00 0.00 64.34 62.27 1fjd n VAL 110 Cb 0.08 -0.13 0.00 0.00 -1.47 0.00 0.00 33.84 32.32 1fjd n VAL 110 CO 0.00 0.00 0.00 0.49 -2.14 0.00 0.00 176.83 175.18 1fjd n PHE 111 N -2.99 0.00 -1.58 6.34 3.01 -1.26 -4.99 117.46 115.99 1fjd n PHE 111 Ca 0.02 0.00 0.00 0.00 1.01 0.00 0.00 57.45 58.48 1fjd n PHE 111 Cb 0.08 0.00 0.00 0.00 -0.01 0.00 0.00 39.48 39.55 1fjd n PHE 111 CO 0.00 0.00 0.00 -2.37 1.01 0.00 0.00 176.76 175.40 1fjd n THR 112 N -0.96 0.00 -3.66 4.37 5.66 -1.26 -5.08 114.28 113.34 1fjd n THR 112 Ca 0.00 0.00 -0.36 0.00 -3.05 0.00 0.00 64.05 60.64 1fjd n THR 112 Cb 0.00 -0.62 -0.07 0.00 -1.55 0.00 0.00 70.33 68.08 1fjd n THR 112 CO 0.00 0.00 0.00 1.51 -3.05 0.00 0.00 175.07 173.53 1fjd s ASP 113 N -1.00 6.35 0.09 1.09 -4.77 -1.26 -4.97 116.67 112.20 1fjd s ASP 113 Ca 0.00 0.40 -0.31 0.00 -3.30 0.00 0.00 52.55 49.34 1fjd s ASP 113 Cb 0.00 -2.13 -0.15 0.00 -1.09 0.00 0.00 42.92 39.55 1fjd s ASP 113 CO 0.00 0.18 1.63 -0.65 0.70 0.00 0.00 175.17 177.04 1fjd h PRO 114 N 6.37 -0.68 -5.21 2.11 0.11 -1.87 -3.32 132.00 129.51 1fjd h PRO 114 Ca -0.43 0.05 -0.29 0.00 0.11 0.00 0.00 66.00 65.44 1fjd h PRO 114 Cb 1.17 0.15 -0.00 0.00 0.11 0.00 0.00 31.00 32.43 1fjd h PRO 114 CO 0.73 -0.45 0.91 -0.35 -0.21 0.00 0.00 178.00 178.63 1fjd n PRO 115 N -5.42 1.03 -3.36 1.05 -0.05 -1.16 -2.62 135.00 124.47 1fjd n PRO 115 Ca -0.11 -2.08 -0.32 0.00 -0.05 0.00 0.00 63.50 60.95 1fjd n PRO 115 Cb 0.32 -3.63 -0.06 0.00 -0.05 0.00 0.00 33.50 30.09 1fjd n PRO 115 CO 0.00 0.00 0.00 0.14 -0.05 0.00 0.00 175.50 175.59 1fjd s VAL 116 N 12.05 4.88 0.09 0.52 -7.23 0.20 -4.22 120.40 126.70 1fjd s VAL 116 Ca 0.71 0.57 -0.06 0.00 -1.81 0.00 0.00 61.98 61.39 1fjd s VAL 116 Cb 0.01 -3.62 -0.05 0.00 0.56 0.00 0.00 36.38 33.28 1fjd s VAL 116 CO 0.17 -0.10 0.35 -0.75 -0.31 0.00 0.00 175.10 174.46 1fjd s LYS 117 N -2.86 3.64 0.00 4.82 2.20 -1.25 -0.24 119.74 126.06 1fjd s LYS 117 Ca 0.49 -0.03 0.00 0.00 -0.36 0.00 0.00 55.97 56.07 1fjd s LYS 117 Cb -0.11 -2.95 0.00 0.00 -1.51 0.00 0.00 37.83 33.26 1fjd s LYS 117 CO 0.20 0.54 0.00 -2.37 -0.36 0.00 0.00 175.35 173.36 1fjd n THR 118 N 0.54 0.00 -1.51 3.43 5.66 -1.25 -4.59 114.28 116.56 1fjd n THR 118 Ca -0.06 0.00 -0.01 0.00 -3.05 0.00 0.00 64.05 60.93 1fjd n THR 118 Cb 0.52 -0.32 -0.01 0.00 -1.55 0.00 0.00 70.33 68.97 1fjd n THR 118 CO 0.00 0.00 0.00 2.29 -3.05 0.00 0.00 175.07 174.31 1fjd n LYS 119 N -2.41 0.00 0.00 1.09 2.85 -1.26 -4.86 118.16 113.57 1fjd n LYS 119 Ca 0.00 -0.11 0.00 0.00 -1.05 0.00 0.00 58.31 57.15 1fjd n LYS 119 Cb 0.00 0.44 0.00 0.00 -0.65 0.00 0.00 35.03 34.82 1fjd n LYS 119 CO 0.00 0.00 0.00 1.19 -0.05 0.00 0.00 177.40 178.54 1fjd n PHE 120 N 0.00 0.00 0.00 5.58 3.72 -1.26 -5.16 117.46 120.34 1fjd n PHE 120 Ca -0.03 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.37 1fjd n PHE 120 Cb 0.28 0.00 0.00 0.00 -0.94 0.00 0.00 39.48 38.82 1fjd n PHE 120 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 1fjd n GLY 121 N -0.93 -0.66 3.63 1.37 0.00 -1.26 -5.00 105.19 102.34 1fjd n GLY 121 Ca 0.00 -0.47 -0.37 0.00 0.00 0.00 0.00 46.02 45.17 1fjd n GLY 121 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1fjd s TYR 122 N -4.00 3.28 -0.07 1.61 1.51 -1.26 -3.79 117.35 114.63 1fjd s TYR 122 Ca 0.00 0.20 0.03 0.00 -1.01 0.00 0.00 57.07 56.29 1fjd s TYR 122 Cb 0.00 -2.32 -0.02 0.00 -0.11 0.00 0.00 41.96 39.51 1fjd s TYR 122 CO 0.00 -0.03 -0.18 -1.01 -1.11 0.00 0.00 175.55 173.23 1fjd s HIS 123 N 1.35 2.64 -0.50 2.71 3.76 0.67 -3.98 115.29 121.93 1fjd s HIS 123 Ca 0.08 -0.48 -0.22 0.00 -0.15 0.00 0.00 55.06 54.28 1fjd s HIS 123 Cb -0.15 -1.68 0.04 0.00 1.11 0.00 0.00 32.58 31.91 1fjd s HIS 123 CO 0.07 -0.06 0.80 0.42 -0.85 0.00 0.00 174.74 175.12 1fjd s ILE 124 N -0.24 4.62 -0.27 0.60 1.01 -0.20 0.63 121.20 127.33 1fjd s ILE 124 Ca 0.00 0.13 -0.11 0.00 0.00 0.00 0.00 60.65 60.68 1fjd s ILE 124 Cb -0.13 -4.39 -0.05 0.00 0.01 0.00 0.00 42.46 37.90 1fjd s ILE 124 CO 0.03 -0.88 0.18 -0.63 0.00 0.00 0.00 174.94 173.64 1fjd s ILE 125 N 3.35 5.27 -0.21 2.92 1.01 -1.08 -2.88 121.20 129.58 1fjd s ILE 125 Ca 0.26 0.15 0.02 0.00 0.00 0.00 0.00 60.65 61.08 1fjd s ILE 125 Cb -0.14 -3.50 0.04 0.00 0.01 0.00 0.00 42.46 38.87 1fjd s ILE 125 CO 0.19 0.27 -0.14 -0.32 0.00 0.00 0.00 174.94 174.93 1fjd s MET 126 N 1.63 2.48 0.26 2.79 -2.45 -1.13 -3.73 119.30 119.14 1fjd s MET 126 Ca 0.07 -1.01 -0.11 0.00 -1.25 0.00 0.00 55.69 53.39 1fjd s MET 126 Cb -0.16 -2.63 -0.08 0.00 1.25 0.00 0.00 34.83 33.22 1fjd s MET 126 CO 0.10 -0.39 0.61 0.08 1.05 0.00 0.00 175.02 176.46 1fjd s VAL 127 N 1.25 4.86 -0.38 10.11 1.01 -1.12 -1.52 120.40 134.61 1fjd s VAL 127 Ca -0.01 0.61 0.01 0.00 0.00 0.00 0.00 61.98 62.58 1fjd s VAL 127 Cb -0.16 -3.62 0.14 0.00 0.00 0.00 0.00 36.38 32.74 1fjd s VAL 127 CO -0.09 -0.11 0.23 -0.70 0.00 0.00 0.00 175.10 174.43 1fjd s GLU 128 N -2.88 0.76 0.06 2.72 -6.30 0.66 0.23 118.70 113.95 1fjd s GLU 128 Ca 0.49 -1.55 0.00 0.00 -2.50 0.00 0.00 54.97 51.41 1fjd s GLU 128 Cb -0.11 -1.56 0.00 0.00 0.00 0.00 0.00 34.13 32.46 1fjd s GLU 128 CO 0.20 -1.21 0.00 0.41 0.02 0.00 0.00 175.26 174.68 1fjd n GLY 129 N 3.83 -3.87 3.90 -1.50 0.00 -1.26 -2.95 105.19 103.34 1fjd n GLY 129 Ca 0.13 -0.75 -0.22 0.00 0.00 0.00 0.00 46.02 45.18 1fjd n GLY 129 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 1fjd s ARG 130 N -3.02 2.45 0.00 1.61 1.70 -1.25 -2.23 118.95 118.21 1fjd s ARG 130 Ca 0.00 -1.65 0.00 0.00 -0.47 0.00 0.00 55.73 53.61 1fjd s ARG 130 Cb 0.00 -2.36 0.00 0.00 -0.57 0.00 0.00 34.95 32.02 1fjd s ARG 130 CO 0.00 -0.37 0.00 1.63 -1.08 0.00 0.00 175.30 175.48