#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1fjd s SER 29 N 0.00 6.45 0.84 1.61 1.04 -1.26 -4.91 113.70 117.47 1fjd s SER 29 Ca 0.00 -1.42 -0.12 0.00 0.48 0.00 0.00 55.95 54.89 1fjd s SER 29 Cb 0.00 -2.50 0.12 0.00 0.10 0.00 0.00 66.02 63.74 1fjd s SER 29 CO 0.00 -1.42 1.19 -0.83 0.98 0.00 0.00 173.24 173.16 1fjd s GLY 30 N 4.25 1.69 0.48 7.32 0.00 -1.26 -4.94 107.32 114.86 1fjd s GLY 30 Ca 0.38 -0.98 0.13 0.00 0.00 0.00 0.00 44.72 44.25 1fjd s GLY 30 CO -0.04 -0.40 2.11 -2.55 0.00 0.00 0.00 173.10 172.23 1fjd h PRO 31 N -1.15 0.16 -3.95 2.90 0.10 -2.05 -3.43 132.00 124.57 1fjd h PRO 31 Ca -0.44 -0.01 -0.25 0.00 0.10 0.00 0.00 66.00 65.40 1fjd h PRO 31 Cb 1.29 -0.03 -0.27 0.00 0.10 0.00 0.00 31.00 32.09 1fjd h PRO 31 CO 0.53 0.12 -0.73 0.21 0.10 0.00 0.00 178.00 178.23 1fjd s LYS 32 N -5.17 0.18 -0.05 1.05 2.20 -1.26 -4.93 119.74 111.77 1fjd s LYS 32 Ca -0.06 -0.18 -0.00 0.00 -0.36 0.00 0.00 55.97 55.37 1fjd s LYS 32 Cb 0.17 -0.10 -0.00 0.00 -1.51 0.00 0.00 37.83 36.39 1fjd s LYS 32 CO 0.69 0.02 0.04 0.41 -0.36 0.00 0.00 175.35 176.15 1fjd n GLY 33 N 2.72 0.35 0.00 5.54 0.00 -1.26 -5.09 105.19 107.45 1fjd n GLY 33 Ca -0.15 -0.21 0.00 0.00 0.00 0.00 0.00 46.02 45.67 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 -1.31 3.08 4.39 -0.02 0.00 -1.26 -4.61 105.19 105.47 1fjd n GLY 34 Ca -0.00 -0.71 0.00 0.00 0.00 0.00 0.00 46.02 45.31 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 5.00 0.59 2.86 -0.02 0.00 -1.26 -4.92 105.19 107.44 1fjd n GLY 35 Ca 0.00 -1.08 -0.06 0.00 0.00 0.00 0.00 46.02 44.88 1fjd n GLY 35 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1fjd n ASN 36 N 3.43 -5.80 -4.87 1.61 3.02 -1.26 -4.75 115.26 106.65 1fjd n ASN 36 Ca 0.00 0.16 -0.37 0.00 -0.03 0.00 0.00 54.58 54.34 1fjd n ASN 36 Cb 0.00 -3.87 -0.06 0.00 -0.61 0.00 0.00 39.78 35.24 1fjd n ASN 36 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1fjd s ALA 37 N -1.56 3.85 -0.01 5.41 0.00 -1.25 -2.52 121.76 125.68 1fjd s ALA 37 Ca 0.00 -0.62 -0.16 0.00 0.00 0.00 0.00 51.96 51.18 1fjd s ALA 37 Cb 0.00 -2.01 0.03 0.00 0.00 0.00 0.00 23.12 21.13 1fjd s ALA 37 CO 0.00 0.58 0.35 0.14 0.00 0.00 0.00 175.76 176.82 1fjd s VAL 38 N -0.93 0.05 -0.90 0.00 -7.23 -1.08 0.30 120.40 110.62 1fjd s VAL 38 Ca 0.15 -0.45 -0.19 0.00 -1.81 0.00 0.00 61.98 59.67 1fjd s VAL 38 Cb -0.12 -0.70 0.12 0.00 0.56 0.00 0.00 36.38 36.24 1fjd s VAL 38 CO 0.04 -0.25 1.12 -0.75 -0.31 0.00 0.00 175.10 174.95 1fjd s LYS 39 N -1.50 3.54 -0.18 4.82 2.47 -0.48 -2.65 119.74 125.76 1fjd s LYS 39 Ca -0.12 -1.62 -0.11 0.00 -1.56 0.00 0.00 55.97 52.56 1fjd s LYS 39 Cb -0.04 -4.86 -0.05 0.00 -1.46 0.00 0.00 37.83 31.43 1fjd s LYS 39 CO 0.04 -1.80 0.18 0.54 0.16 0.00 0.00 175.35 174.47 1fjd s VAL 40 N 2.96 5.38 0.06 4.02 0.11 -1.25 0.32 120.40 132.00 1fjd s VAL 40 Ca 0.32 0.31 0.00 0.00 -2.93 0.00 0.00 61.98 59.68 1fjd s VAL 40 Cb -0.06 -3.52 -0.04 0.00 -1.53 0.00 0.00 36.38 31.23 1fjd s VAL 40 CO -0.07 0.44 0.20 -0.13 -3.33 0.00 0.00 175.10 172.21 1fjd s ARG 41 N 0.30 3.40 -0.02 1.54 0.52 0.50 -3.65 118.95 121.54 1fjd s ARG 41 Ca 0.11 -0.46 0.07 0.00 -0.52 0.00 0.00 55.73 54.93 1fjd s ARG 41 Cb -0.12 -3.02 -0.02 0.00 0.52 0.00 0.00 34.95 32.31 1fjd s ARG 41 CO 0.00 0.61 -0.22 -1.01 0.02 0.00 0.00 175.30 174.70 1fjd s HIS 42 N -1.50 2.45 -0.21 -0.53 3.76 -1.26 -2.94 115.29 115.06 1fjd s HIS 42 Ca 0.35 -0.35 -0.04 0.00 -0.15 0.00 0.00 55.06 54.87 1fjd s HIS 42 Cb -0.13 -1.53 0.10 0.00 1.11 0.00 0.00 32.58 32.14 1fjd s HIS 42 CO 0.28 0.05 0.34 0.42 -0.85 0.00 0.00 174.74 174.98 1fjd s ILE 43 N -0.67 -0.54 -0.06 0.60 1.01 -0.93 -4.58 121.20 116.03 1fjd s ILE 43 Ca 0.11 0.04 0.04 0.00 0.00 0.00 0.00 60.65 60.84 1fjd s ILE 43 Cb -0.10 -0.69 -0.02 0.00 0.01 0.00 0.00 42.46 41.66 1fjd s ILE 43 CO -0.00 -0.05 -0.18 -0.22 0.00 0.00 0.00 174.94 174.50 1fjd s LEU 44 N 2.51 2.52 -0.29 2.97 2.96 0.70 0.18 118.68 130.22 1fjd s LEU 44 Ca 0.06 -0.31 -0.08 0.00 -0.22 0.00 0.00 54.13 53.58 1fjd s LEU 44 Cb -0.14 -1.50 -0.01 0.00 0.50 0.00 0.00 46.19 45.04 1fjd s LEU 44 CO -0.13 0.30 0.11 0.00 -1.32 0.00 0.00 176.35 175.31 1fjd h GLU 46 N 8.29 0.14 -0.01 0.00 4.57 -1.87 -3.20 114.58 122.49 1fjd h GLU 46 Ca -0.33 -0.15 0.00 0.00 -1.18 0.00 0.00 59.36 57.70 1fjd h GLU 46 Cb 1.15 0.04 0.00 0.00 -0.16 0.00 0.00 28.75 29.78 1fjd h GLU 46 CO 0.60 0.91 -0.53 0.36 -1.18 0.00 0.00 179.01 179.18 1fjd n LYS 47 N -3.63 1.20 -1.16 1.92 0.00 -1.26 -4.94 118.16 110.30 1fjd n LYS 47 Ca -0.03 -0.76 -0.06 0.00 -0.00 0.00 0.00 58.31 57.45 1fjd n LYS 47 Cb 0.80 -1.42 -0.03 0.00 -0.00 0.00 0.00 35.03 34.38 1fjd n LYS 47 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.40 178.12 1fjd n HIS 48 N -0.32 -0.02 0.01 5.58 8.25 -1.21 -4.78 115.22 122.74 1fjd n HIS 48 Ca 0.08 0.00 -0.22 0.00 -0.26 0.00 0.00 57.72 57.32 1fjd n HIS 48 Cb 0.41 -2.40 -0.14 0.00 1.12 0.00 0.00 29.99 28.98 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 0.31 1.52 -1.41 0.00 -1.92 -3.35 103.07 98.22 1fjd h GLY 49 Ca -0.13 -0.78 0.00 0.00 0.00 0.00 0.00 47.33 46.41 1fjd h GLY 49 CO 0.19 0.69 -0.37 0.50 0.00 0.00 0.00 176.54 177.55 1fjd h LYS 50 N -0.12 0.00 -1.00 4.80 6.56 -1.95 -3.32 116.57 121.55 1fjd h LYS 50 Ca -0.37 0.00 0.27 0.00 -1.06 0.00 0.00 60.65 59.50 1fjd h LYS 50 Cb 1.91 0.00 -0.13 0.00 -0.57 0.00 0.00 32.23 33.43 1fjd h LYS 50 CO 0.07 0.00 0.57 0.97 -2.06 0.00 0.00 179.45 179.00 1fjd h ILE 51 N 0.00 0.44 0.20 1.86 6.09 -1.87 2.66 117.51 126.88 1fjd h ILE 51 Ca 0.00 -0.16 -0.28 0.00 -1.37 0.00 0.00 64.86 63.05 1fjd h ILE 51 Cb 0.77 -0.07 0.03 0.00 0.47 0.00 0.00 36.82 38.01 1fjd h ILE 51 CO 0.00 0.09 -1.27 -0.03 -3.07 0.00 0.00 178.15 173.87 1fjd h MET 52 N 0.47 0.42 -0.34 2.19 4.05 -1.79 0.15 114.93 120.09 1fjd h MET 52 Ca 0.67 -0.71 0.10 0.00 -0.28 0.00 0.00 59.70 59.48 1fjd h MET 52 Cb 1.38 0.27 -0.01 0.00 -0.80 0.00 0.00 31.60 32.43 1fjd h MET 52 CO -0.53 1.34 0.25 1.49 0.23 0.00 0.00 176.91 179.70 1fjd h GLU 53 N -0.08 0.00 0.00 0.39 4.81 -0.72 1.87 114.58 120.85 1fjd h GLU 53 Ca -0.23 0.00 -0.23 0.00 -0.13 0.00 0.00 59.36 58.77 1fjd h GLU 53 Cb 1.94 0.00 -0.03 0.00 0.63 0.00 0.00 28.75 31.29 1fjd h GLU 53 CO 0.20 0.00 -1.15 0.00 -0.73 0.00 0.00 179.01 177.33 1fjd h ALA 54 N 1.81 0.46 -0.03 2.92 0.00 0.46 -1.76 119.26 123.11 1fjd h ALA 54 Ca 0.16 -1.03 -0.10 0.00 0.00 0.00 0.00 54.91 53.95 1fjd h ALA 54 Cb 0.66 -0.01 0.01 0.00 0.00 0.00 0.00 17.79 18.46 1fjd h ALA 54 CO -0.00 1.31 -0.35 1.98 0.00 0.00 0.00 179.25 182.19 1fjd h MET 55 N 0.00 0.30 0.39 0.00 4.05 0.40 -2.91 114.93 117.16 1fjd h MET 55 Ca -0.07 -0.28 -0.02 0.00 -0.28 0.00 0.00 59.70 59.05 1fjd h MET 55 Cb 1.82 0.07 0.00 0.00 -0.80 0.00 0.00 31.60 32.69 1fjd h MET 55 CO 0.12 0.95 -0.19 1.49 0.23 0.00 0.00 176.91 179.51 1fjd h GLU 56 N -0.26 -0.51 0.00 0.39 4.22 0.23 -2.79 114.58 115.86 1fjd h GLU 56 Ca -0.03 0.03 0.00 0.00 0.08 0.00 0.00 59.36 59.44 1fjd h GLU 56 Cb 1.05 0.12 0.00 0.00 0.50 0.00 0.00 28.75 30.41 1fjd h GLU 56 CO 0.07 -0.21 0.00 1.63 -2.18 0.00 0.00 179.01 178.32 1fjd n LYS 57 N -5.15 0.00 -0.60 1.92 5.02 -0.66 0.14 118.16 118.83 1fjd n LYS 57 Ca -0.09 0.90 0.47 0.00 -2.02 0.00 0.00 58.31 57.57 1fjd n LYS 57 Cb 0.28 -1.49 0.76 0.00 -0.02 0.00 0.00 35.03 34.56 1fjd n LYS 57 CO 0.00 0.00 0.00 -0.07 -0.52 0.00 0.00 177.40 176.81 1fjd h LEU 58 N 0.00 0.08 0.00 -0.35 4.07 -1.63 0.26 115.31 117.75 1fjd h LEU 58 Ca 0.00 0.06 0.00 0.00 0.08 0.00 0.00 57.88 58.02 1fjd h LEU 58 Cb 0.00 0.06 0.00 0.00 1.08 0.00 0.00 40.66 41.80 1fjd h LEU 58 CO 0.00 -0.09 -0.01 0.11 -1.08 0.00 0.00 178.44 177.37 1fjd h LYS 59 N 0.01 0.00 -1.02 1.13 1.79 0.12 -3.36 116.57 115.24 1fjd h LYS 59 Ca 0.89 0.00 0.38 0.00 -2.18 0.00 0.00 60.65 59.75 1fjd h LYS 59 Cb 3.32 0.00 -0.16 0.00 -1.58 0.00 0.00 32.23 33.80 1fjd h LYS 59 CO -0.18 0.00 0.57 0.77 -1.08 0.00 0.00 179.45 179.54 1fjd h SER 60 N -0.05 0.39 0.00 0.86 0.02 0.19 -3.43 113.55 111.53 1fjd h SER 60 Ca 0.00 0.23 0.00 0.00 -0.84 0.00 0.00 61.79 61.18 1fjd h SER 60 Cb 0.01 0.21 0.00 0.00 0.14 0.00 0.00 62.40 62.76 1fjd h SER 60 CO 0.00 -0.31 0.00 0.61 -1.14 0.00 0.00 176.83 175.99 1fjd n GLY 61 N -1.29 1.75 0.00 -3.77 0.00 0.80 -5.07 105.19 97.62 1fjd n GLY 61 Ca 0.36 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.38 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 0.54 -1.68 1.61 2.81 -0.50 -4.95 117.12 114.95 1fjd n MET 62 Ca 0.00 0.00 -0.45 0.00 -1.81 0.00 0.00 57.70 55.44 1fjd n MET 62 Cb 0.00 0.00 -0.04 0.00 -0.71 0.00 0.00 33.22 32.47 1fjd n MET 62 CO 0.00 0.00 0.00 0.54 1.51 0.00 0.00 175.97 178.02 1fjd n ARG 63 N -0.77 2.32 -0.01 0.03 1.74 -1.26 -4.64 116.66 114.07 1fjd n ARG 63 Ca 0.00 0.84 -0.16 0.00 -0.77 0.00 0.00 57.85 57.76 1fjd n ARG 63 Cb 0.00 -2.62 -0.14 0.00 -1.02 0.00 0.00 32.46 28.68 1fjd n ARG 63 CO 0.00 0.00 0.00 0.34 -1.52 0.00 0.00 177.63 176.45 1fjd n PHE 64 N 3.55 1.13 -0.01 -1.55 7.35 -1.26 -3.57 117.46 123.09 1fjd n PHE 64 Ca 0.17 0.31 -0.12 0.00 -0.76 0.00 0.00 57.45 57.04 1fjd n PHE 64 Cb 0.30 -1.17 -0.14 0.00 0.35 0.00 0.00 39.48 38.82 1fjd n PHE 64 CO 0.00 0.00 0.00 0.27 -0.76 0.00 0.00 176.76 176.27 1fjd n ASN 65 N -3.28 1.21 -0.12 -2.13 0.23 -1.26 -3.23 115.26 106.68 1fjd n ASN 65 Ca -0.25 0.36 -0.10 0.00 -0.53 0.00 0.00 54.58 54.05 1fjd n ASN 65 Cb 1.05 -0.28 -0.02 0.00 -2.08 0.00 0.00 39.78 38.45 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 0.02 0.58 0.56 -3.83 4.39 -1.96 0.84 114.58 115.17 1fjd h GLU 66 Ca -0.32 -0.17 -0.02 0.00 0.34 0.00 0.00 59.36 59.19 1fjd h GLU 66 Cb 2.02 -0.06 -0.00 0.00 -0.10 0.00 0.00 28.75 30.61 1fjd h GLU 66 CO 0.08 0.68 -0.37 -0.39 -1.16 0.00 0.00 179.01 177.85 1fjd h VAL 67 N 0.40 0.00 -1.07 3.13 -1.51 -1.72 0.68 116.25 116.16 1fjd h VAL 67 Ca 0.10 0.00 0.29 0.00 -1.23 0.00 0.00 66.70 65.86 1fjd h VAL 67 Cb 0.40 0.00 -0.07 0.00 -2.13 0.00 0.00 31.29 29.49 1fjd h VAL 67 CO 0.01 0.00 0.73 0.00 -1.23 0.00 0.00 177.57 177.08 1fjd h ALA 68 N -1.33 2.59 -0.52 5.19 0.00 -1.51 2.39 119.26 126.07 1fjd h ALA 68 Ca -0.07 0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.85 1fjd h ALA 68 Cb 0.71 0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.56 1fjd h ALA 68 CO 0.06 -0.96 0.00 0.00 0.00 0.00 0.00 179.25 178.35 1fjd n ALA 69 N -2.59 -0.07 -0.05 0.00 0.00 0.29 -0.44 120.51 117.65 1fjd n ALA 69 Ca 0.25 0.00 -0.22 0.00 0.00 0.00 0.00 53.44 53.47 1fjd n ALA 69 Cb 1.01 0.38 -0.13 0.00 0.00 0.00 0.00 19.45 20.71 1fjd n ALA 69 CO 0.00 0.00 0.00 0.94 0.00 0.00 0.00 177.50 178.44 1fjd n GLN 70 N -2.50 0.67 -0.27 0.00 0.00 -0.43 -3.83 117.38 111.03 1fjd n GLN 70 Ca 0.00 0.38 0.33 0.00 -0.00 0.00 0.00 57.00 57.70 1fjd n GLN 70 Cb 0.00 -1.71 0.74 0.00 0.00 0.00 0.00 30.24 29.28 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 -0.39 0.00 0.00 3.69 -1.99 0.39 2.78 116.97 121.45 1fjd h TYR 71 Ca -0.42 0.00 0.00 0.00 2.00 0.00 0.00 58.73 60.31 1fjd h TYR 71 Cb 1.73 0.00 0.00 0.00 2.00 0.00 0.00 36.73 40.46 1fjd h TYR 71 CO 0.08 0.00 0.00 0.45 -0.00 0.00 0.00 178.16 178.69 1fjd n SER 72 N -4.19 0.02 -3.57 3.88 2.88 0.42 -3.49 113.62 109.57 1fjd n SER 72 Ca 0.23 0.50 -0.24 0.00 -1.33 0.00 0.00 58.87 58.03 1fjd n SER 72 Cb 1.15 -0.51 -0.06 0.00 -0.75 0.00 0.00 64.21 64.04 1fjd n SER 72 CO 0.00 0.00 0.00 1.21 -1.23 0.00 0.00 175.04 175.02 1fjd n GLU 73 N -1.52 -0.88 0.00 -1.46 0.00 0.93 -0.22 120.64 117.49 1fjd n GLU 73 Ca 0.05 0.08 0.00 0.00 0.00 0.00 0.00 57.16 57.28 1fjd n GLU 73 Cb 0.24 -2.70 0.00 0.00 0.00 0.00 0.00 31.44 28.98 1fjd n GLU 73 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.13 173.66 1fjd n ASP 74 N -1.52 0.00 0.30 4.31 2.03 -1.26 -4.79 116.55 115.62 1fjd n ASP 74 Ca -0.06 0.00 0.14 0.00 0.52 0.00 0.00 54.79 55.39 1fjd n ASP 74 Cb 0.37 0.00 0.74 0.00 -0.72 0.00 0.00 41.12 41.50 1fjd n ASP 74 CO 0.00 0.00 0.00 0.11 -1.92 0.00 0.00 177.20 175.39 1fjd h LYS 75 N 0.00 0.00 0.00 -0.67 1.79 -1.84 -3.47 116.57 112.38 1fjd h LYS 75 Ca 0.00 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.47 1fjd h LYS 75 Cb 0.00 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 30.65 1fjd h LYS 75 CO 0.00 0.00 0.00 0.00 -1.08 0.00 0.00 179.45 178.37 1fjd n ALA 76 N -1.83 0.00 -1.23 3.86 0.00 -1.24 -4.44 120.51 115.63 1fjd n ALA 76 Ca -0.02 0.00 -0.35 0.00 0.00 0.00 0.00 53.44 53.07 1fjd n ALA 76 Cb 0.35 0.00 0.10 0.00 0.00 0.00 0.00 19.45 19.89 1fjd n ALA 76 CO 0.00 0.00 0.00 2.89 0.00 0.00 0.00 177.50 180.39 1fjd n ARG 77 N 0.00 0.33 0.19 0.00 1.85 -0.83 -3.20 116.66 115.00 1fjd n ARG 77 Ca 0.00 0.17 0.18 0.00 -1.00 0.00 0.00 57.85 57.20 1fjd n ARG 77 Cb 0.00 -2.17 0.76 0.00 -1.05 0.00 0.00 32.46 30.00 1fjd n ARG 77 CO 0.00 0.00 0.00 1.96 -0.01 0.00 0.00 177.63 179.58 1fjd h GLN 78 N -0.54 0.00 -1.53 2.89 1.08 -1.69 2.02 115.11 117.35 1fjd h GLN 78 Ca -0.46 0.00 0.44 0.00 -1.45 0.00 0.00 58.65 57.18 1fjd h GLN 78 Cb 1.32 0.00 -0.06 0.00 -0.05 0.00 0.00 27.48 28.69 1fjd h GLN 78 CO 0.45 0.00 1.09 0.78 -0.95 0.00 0.00 178.83 180.20 1fjd h GLY 79 N 0.00 0.05 0.67 3.46 0.00 -1.86 2.21 103.07 107.61 1fjd h GLY 79 Ca 0.11 -0.01 0.03 0.00 0.00 0.00 0.00 47.33 47.47 1fjd h GLY 79 CO -0.00 -0.01 -0.04 -1.33 0.00 0.00 0.00 176.54 175.15 1fjd h GLY 80 N 0.01 0.12 -2.83 4.60 0.00 0.31 -3.46 103.07 101.81 1fjd h GLY 80 Ca 0.73 0.05 -0.02 0.00 0.00 0.00 0.00 47.33 48.09 1fjd h GLY 80 CO -0.02 -0.06 -0.33 1.34 0.00 0.00 0.00 176.54 177.47 1fjd n ASP 81 N -5.18 -2.00 -0.37 0.19 -0.08 0.75 -4.57 116.55 105.29 1fjd n ASP 81 Ca -0.03 0.09 0.37 0.00 -1.51 0.00 0.00 54.79 53.71 1fjd n ASP 81 Cb 0.11 -0.49 0.62 0.00 2.34 0.00 0.00 41.12 43.69 1fjd n ASP 81 CO 0.00 0.00 0.00 -0.07 0.12 0.00 0.00 177.20 177.25 1fjd h LEU 82 N 1.60 0.00 0.00 -2.67 4.07 -1.86 -3.46 115.31 112.98 1fjd h LEU 82 Ca -0.03 0.00 0.00 0.00 0.08 0.00 0.00 57.88 57.93 1fjd h LEU 82 Cb 0.34 0.00 0.00 0.00 1.08 0.00 0.00 40.66 42.08 1fjd h LEU 82 CO 0.01 0.00 0.00 0.61 -1.08 0.00 0.00 178.44 177.98 1fjd n GLY 83 N -1.78 0.10 3.47 0.83 0.00 -1.26 -4.92 105.19 101.63 1fjd n GLY 83 Ca 0.30 -1.89 -0.55 0.00 0.00 0.00 0.00 46.02 43.88 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 0.15 0.30 -3.91 1.61 7.02 -1.26 -4.40 117.44 116.95 1fjd n TRP 84 Ca 0.00 1.01 -0.15 0.00 -1.02 0.00 0.00 57.50 57.33 1fjd n TRP 84 Cb 0.00 -2.06 -0.15 0.00 -2.42 0.00 0.00 31.31 26.68 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 -0.35 0.17 0.01 -0.99 -1.94 -1.09 -4.89 119.30 110.23 1fjd s MET 85 Ca 0.81 0.05 -0.04 0.00 -1.71 0.00 0.00 55.69 54.79 1fjd s MET 85 Cb -1.13 -0.31 -0.04 0.00 2.01 0.00 0.00 34.83 35.36 1fjd s MET 85 CO 0.56 -0.08 0.24 0.95 -0.01 0.00 0.00 175.02 176.68 1fjd s THR 86 N 0.65 5.35 0.48 2.05 -4.23 -1.25 -2.62 115.64 116.07 1fjd s THR 86 Ca -0.06 -0.01 0.26 0.00 -1.18 0.00 0.00 61.69 60.70 1fjd s THR 86 Cb -0.09 -3.56 0.44 0.00 1.34 0.00 0.00 72.50 70.63 1fjd s THR 86 CO -0.01 0.31 1.85 -0.09 -0.54 0.00 0.00 174.62 176.13 1fjd h ARG 87 N 3.78 0.19 -1.05 3.99 1.12 -1.78 0.19 114.38 120.80 1fjd h ARG 87 Ca -0.49 -0.01 0.33 0.00 -1.11 0.00 0.00 59.98 58.70 1fjd h ARG 87 Cb 1.19 -0.04 -0.14 0.00 -0.01 0.00 0.00 29.97 30.97 1fjd h ARG 87 CO 0.68 0.12 0.62 0.78 -3.11 0.00 0.00 179.97 179.07 1fjd h GLY 88 N 0.19 1.87 -6.91 2.80 0.00 -1.93 -3.09 103.07 96.00 1fjd h GLY 88 Ca 0.49 -0.22 -0.61 0.00 0.00 0.00 0.00 47.33 46.99 1fjd h GLY 88 CO -0.11 -0.44 -0.74 -0.45 0.00 0.00 0.00 176.54 174.80 1fjd s SER 89 N -4.87 3.55 -0.31 0.19 0.15 0.05 -4.88 113.70 107.57 1fjd s SER 89 Ca -0.09 -3.05 0.12 0.00 0.70 0.00 0.00 55.95 53.63 1fjd s SER 89 Cb 0.30 -1.10 0.39 0.00 -1.71 0.00 0.00 66.02 63.89 1fjd s SER 89 CO 0.80 -0.20 1.50 0.80 1.20 0.00 0.00 173.24 177.33 1fjd n MET 90 N 2.98 1.29 0.00 5.44 0.00 -1.17 -4.60 117.12 121.06 1fjd n MET 90 Ca 0.15 -1.28 0.00 0.00 0.00 0.00 0.00 57.70 56.58 1fjd n MET 90 Cb 0.37 0.36 0.00 0.00 0.00 0.00 0.00 33.22 33.95 1fjd n MET 90 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 175.97 176.25 1fjd n VAL 91 N -1.42 0.00 0.00 1.12 0.31 -1.26 -3.40 118.33 113.68 1fjd n VAL 91 Ca -0.18 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.15 1fjd n VAL 91 Cb 0.87 0.00 0.00 0.00 -0.91 0.00 0.00 33.84 33.80 1fjd n VAL 91 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 1fjd n GLY 92 N 0.00 0.14 0.33 2.92 0.00 -1.26 -4.79 105.19 102.53 1fjd n GLY 92 Ca 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 46.02 46.02 1fjd n GLY 92 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1fjd h PRO 93 N 0.00 0.88 -0.93 1.61 0.13 -1.94 -1.57 132.00 130.17 1fjd h PRO 93 Ca 0.00 -0.10 0.25 0.00 -0.87 0.00 0.00 66.00 65.28 1fjd h PRO 93 Cb 0.00 -0.17 -0.13 0.00 0.13 0.00 0.00 31.00 30.82 1fjd h PRO 93 CO 0.00 0.66 0.43 0.35 -0.23 0.00 0.00 178.00 179.21 1fjd h PHE 94 N 0.88 0.71 0.02 1.56 3.57 -1.89 -2.12 116.94 119.68 1fjd h PHE 94 Ca 0.22 0.04 -0.18 0.00 3.53 0.00 0.00 57.97 61.59 1fjd h PHE 94 Cb 0.05 -0.17 -0.02 0.00 2.79 0.00 0.00 35.95 38.61 1fjd h PHE 94 CO 0.01 -0.08 -0.95 0.37 -2.23 0.00 0.00 178.31 175.42 1fjd h GLN 95 N 0.38 0.05 -1.58 1.11 -0.00 -1.46 -3.31 115.11 110.30 1fjd h GLN 95 Ca 0.61 -0.08 0.50 0.00 -0.00 0.00 0.00 58.65 59.67 1fjd h GLN 95 Cb 1.21 0.03 -0.10 0.00 0.00 0.00 0.00 27.48 28.62 1fjd h GLN 95 CO -0.56 1.04 1.09 0.39 0.00 0.00 0.00 178.83 180.79 1fjd n GLU 96 N -4.37 -0.02 0.00 1.69 1.02 -0.64 0.26 120.64 118.58 1fjd n GLU 96 Ca -0.25 1.11 0.00 0.00 -0.02 0.00 0.00 57.16 58.00 1fjd n GLU 96 Cb 0.67 -2.36 0.00 0.00 -0.02 0.00 0.00 31.44 29.74 1fjd n GLU 96 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1fjd n ALA 97 N -2.70 -0.00 -0.33 0.62 0.00 -0.85 -1.86 120.51 115.39 1fjd n ALA 97 Ca 0.40 0.00 0.21 0.00 0.00 0.00 0.00 53.44 54.05 1fjd n ALA 97 Cb 1.70 0.00 0.43 0.00 0.00 0.00 0.00 19.45 21.58 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 1.83 0.13 0.00 0.00 -1.49 0.35 119.26 118.08 1fjd h ALA 98 Ca 0.00 0.18 -0.01 0.00 0.00 0.00 0.00 54.91 55.09 1fjd h ALA 98 Cb 0.00 0.15 0.00 0.00 0.00 0.00 0.00 17.79 17.94 1fjd h ALA 98 CO 0.00 -0.50 -0.06 0.74 0.00 0.00 0.00 179.25 179.43 1fjd h PHE 99 N 0.36 -0.16 -1.01 0.00 -1.00 -0.35 -3.26 116.94 111.51 1fjd h PHE 99 Ca 0.69 -0.00 0.29 0.00 2.81 0.00 0.00 57.97 61.76 1fjd h PHE 99 Cb 1.52 0.05 -0.14 0.00 3.61 0.00 0.00 35.95 40.99 1fjd h PHE 99 CO -0.04 -0.10 0.59 0.00 -1.61 0.00 0.00 178.31 177.14 1fjd h ALA 100 N -1.76 1.91 -2.07 2.45 0.00 -0.98 -3.40 119.26 115.42 1fjd h ALA 100 Ca -0.02 0.16 -0.46 0.00 0.00 0.00 0.00 54.91 54.59 1fjd h ALA 100 Cb 0.13 0.09 0.02 0.00 0.00 0.00 0.00 17.79 18.04 1fjd h ALA 100 CO 0.03 -0.46 -0.12 -0.51 0.00 0.00 0.00 179.25 178.19 1fjd s LEU 101 N -10.36 3.71 1.11 0.00 1.43 0.12 -5.07 118.68 109.63 1fjd s LEU 101 Ca -0.10 0.27 -0.12 0.00 -1.03 0.00 0.00 54.13 53.15 1fjd s LEU 101 Cb 0.29 -3.15 0.26 0.00 0.03 0.00 0.00 46.19 43.61 1fjd s LEU 101 CO 0.79 -0.64 1.05 -2.16 0.23 0.00 0.00 176.35 175.63 1fjd s PRO 102 N -4.50 -0.53 0.00 1.29 0.04 -1.26 -4.71 135.00 125.33 1fjd s PRO 102 Ca 0.47 1.04 0.00 0.00 0.04 0.00 0.00 61.00 62.55 1fjd s PRO 102 Cb -0.10 -1.58 0.00 0.00 0.04 0.00 0.00 34.50 32.86 1fjd s PRO 102 CO 0.37 -3.52 0.00 1.33 0.04 0.00 0.00 177.00 175.22 1fjd n VAL 103 N -4.80 0.00 -1.28 -0.36 0.24 -1.26 -4.70 118.33 106.17 1fjd n VAL 103 Ca 0.05 0.00 0.15 0.00 -2.04 0.00 0.00 64.34 62.50 1fjd n VAL 103 Cb 0.54 -0.00 -0.06 0.00 -1.47 0.00 0.00 33.84 32.84 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 -0.46 -7.05 0.00 -1.34 7.64 0.55 -3.94 113.62 109.02 1fjd n SER 104 Ca 0.00 0.85 0.00 0.00 1.01 0.00 0.00 58.87 60.73 1fjd n SER 104 Cb 0.00 -4.11 0.00 0.00 -1.01 0.00 0.00 64.21 59.09 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 -3.88 0.94 3.12 0.23 0.00 -1.24 -2.74 105.19 101.63 1fjd n GLY 105 Ca -0.03 0.03 0.00 0.00 0.00 0.00 0.00 46.02 46.02 1fjd n GLY 105 CO 0.00 0.00 0.00 1.15 0.00 0.00 0.00 173.32 174.47 1fjd n MET 106 N 0.00 0.00 -3.46 1.61 0.00 -1.26 -3.96 117.12 110.05 1fjd n MET 106 Ca 0.00 0.00 -0.27 0.00 0.00 0.00 0.00 57.70 57.43 1fjd n MET 106 Cb 0.00 0.00 -0.10 0.00 0.00 0.00 0.00 33.22 33.12 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 -0.27 0.36 0.00 3.17 5.75 -1.26 -3.09 116.55 121.21 1fjd n ASP 107 Ca 0.00 -2.60 0.00 0.00 -0.01 0.00 0.00 54.79 52.18 1fjd n ASP 107 Cb 0.00 -0.60 0.00 0.00 -1.03 0.00 0.00 41.12 39.49 1fjd n ASP 107 CO 0.00 0.00 0.00 1.17 -0.11 0.00 0.00 177.20 178.26 1fjd n LYS 108 N 2.43 0.00 0.00 0.11 4.81 -1.25 -5.04 118.16 119.21 1fjd n LYS 108 Ca 0.27 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.71 1fjd n LYS 108 Cb 0.46 0.00 0.00 0.00 0.02 0.00 0.00 35.03 35.51 1fjd n LYS 108 CO 0.00 0.00 0.00 -0.35 1.17 0.00 0.00 177.40 178.22 1fjd n PRO 109 N 0.00 0.00 0.00 1.64 -0.05 -1.26 -4.83 135.00 130.50 1fjd n PRO 109 Ca 0.00 0.23 0.00 0.00 -0.05 0.00 0.00 63.50 63.68 1fjd n PRO 109 Cb 0.00 -1.06 0.00 0.00 -0.05 0.00 0.00 33.50 32.39 1fjd n PRO 109 CO 0.00 0.00 0.00 1.55 -0.05 0.00 0.00 175.50 177.00 1fjd n VAL 110 N -1.18 0.00 -0.00 0.52 3.14 -1.25 -4.96 118.33 114.59 1fjd n VAL 110 Ca 0.00 0.00 -0.01 0.00 -2.96 0.00 0.00 64.34 61.37 1fjd n VAL 110 Cb 0.00 0.00 -0.01 0.00 -1.06 0.00 0.00 33.84 32.77 1fjd n VAL 110 CO 0.00 0.00 0.00 0.49 -6.46 0.00 0.00 176.83 170.86 1fjd n PHE 111 N -1.74 0.00 -1.22 1.45 3.01 -1.26 -5.01 117.46 112.69 1fjd n PHE 111 Ca 0.00 0.00 -0.18 0.00 1.01 0.00 0.00 57.45 58.28 1fjd n PHE 111 Cb 0.00 -0.04 0.14 0.00 -0.01 0.00 0.00 39.48 39.56 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 -2.15 0.00 -3.44 4.37 5.66 -1.26 -5.03 114.28 112.43 1fjd n THR 112 Ca -0.02 -0.45 -0.36 0.00 -3.05 0.00 0.00 64.05 60.17 1fjd n THR 112 Cb 0.53 -1.45 -0.06 0.00 -1.55 0.00 0.00 70.33 67.80 1fjd n THR 112 CO 0.00 0.00 0.00 -1.81 -3.05 0.00 0.00 175.07 170.21 1fjd s ASP 113 N -3.62 6.80 0.09 1.09 1.01 -1.26 -4.88 116.67 115.90 1fjd s ASP 113 Ca 0.44 0.99 -0.35 0.00 0.71 0.00 0.00 52.55 54.35 1fjd s ASP 113 Cb -0.03 -2.26 -0.15 0.00 1.01 0.00 0.00 42.92 41.49 1fjd s ASP 113 CO 0.32 0.20 1.57 1.55 0.21 0.00 0.00 175.17 179.02 1fjd h PRO 114 N 4.00 -0.85 -5.08 8.23 0.13 -1.85 -3.32 132.00 133.26 1fjd h PRO 114 Ca -0.50 0.06 -0.00 0.00 -0.87 0.00 0.00 66.00 64.69 1fjd h PRO 114 Cb 1.20 0.19 -0.00 0.00 0.13 0.00 0.00 31.00 32.53 1fjd h PRO 114 CO 0.65 -0.57 0.08 -0.35 -0.23 0.00 0.00 178.00 177.57 1fjd n PRO 115 N -5.53 0.09 -3.36 1.56 -0.04 -1.22 -3.20 135.00 123.30 1fjd n PRO 115 Ca -0.10 -1.57 -0.32 0.00 -0.04 0.00 0.00 63.50 61.46 1fjd n PRO 115 Cb 0.43 -3.73 -0.06 0.00 -0.04 0.00 0.00 33.50 30.11 1fjd n PRO 115 CO 0.00 0.00 0.00 0.14 -0.04 0.00 0.00 175.50 175.60 1fjd s VAL 116 N 16.21 4.88 -0.12 0.52 -7.23 0.28 -4.23 120.40 130.70 1fjd s VAL 116 Ca 0.76 0.58 -0.05 0.00 -1.81 0.00 0.00 61.98 61.46 1fjd s VAL 116 Cb -0.05 -3.62 -0.04 0.00 0.56 0.00 0.00 36.38 33.24 1fjd s VAL 116 CO 0.17 -0.09 0.06 -0.75 -0.31 0.00 0.00 175.10 174.18 1fjd s LYS 117 N -2.83 3.39 0.00 4.82 2.20 -1.25 -0.39 119.74 125.67 1fjd s LYS 117 Ca 0.49 -0.31 0.00 0.00 -0.36 0.00 0.00 55.97 55.78 1fjd s LYS 117 Cb -0.11 -3.02 0.00 0.00 -1.51 0.00 0.00 37.83 33.19 1fjd s LYS 117 CO 0.20 0.60 0.00 0.25 -0.36 0.00 0.00 175.35 176.05 1fjd n THR 118 N 2.49 0.00 0.00 3.43 -2.24 -1.24 -4.92 114.28 111.80 1fjd n THR 118 Ca -0.18 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.60 1fjd n THR 118 Cb 0.54 -0.73 0.00 0.00 -2.10 0.00 0.00 70.33 68.04 1fjd n THR 118 CO 0.00 0.00 0.00 1.17 -0.57 0.00 0.00 175.07 175.67 1fjd n LYS 119 N -1.90 0.00 -0.12 -0.78 4.81 -1.26 -4.99 118.16 113.93 1fjd n LYS 119 Ca 0.00 0.00 -0.21 0.00 -0.87 0.00 0.00 58.31 57.23 1fjd n LYS 119 Cb 0.42 0.00 -0.07 0.00 0.02 0.00 0.00 35.03 35.39 1fjd n LYS 119 CO 0.00 0.00 0.00 0.34 1.17 0.00 0.00 177.40 178.91 1fjd n PHE 120 N 0.00 0.16 -0.67 5.64 7.35 -1.26 -5.11 117.46 123.58 1fjd n PHE 120 Ca 0.00 0.07 0.00 0.00 -0.76 0.00 0.00 57.45 56.76 1fjd n PHE 120 Cb 0.00 -0.84 0.00 0.00 0.35 0.00 0.00 39.48 38.99 1fjd n PHE 120 CO 0.00 0.00 0.00 0.41 -0.76 0.00 0.00 176.76 176.41 1fjd n GLY 121 N 1.36 2.49 3.91 7.13 0.00 -1.26 -5.13 105.19 113.69 1fjd n GLY 121 Ca -0.37 -0.21 -0.33 0.00 0.00 0.00 0.00 46.02 45.12 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 -0.26 3.54 -0.13 1.61 2.02 -1.26 -3.70 117.35 119.16 1fjd s TYR 122 Ca 0.00 0.37 -0.12 0.00 -0.37 0.00 0.00 57.07 56.95 1fjd s TYR 122 Cb 0.00 -1.85 0.03 0.00 -0.40 0.00 0.00 41.96 39.75 1fjd s TYR 122 CO 0.00 0.60 0.35 -1.01 -1.57 0.00 0.00 175.55 173.92 1fjd s HIS 123 N -1.41 -0.38 -0.17 2.71 3.76 0.48 -1.99 115.29 118.28 1fjd s HIS 123 Ca 0.31 0.93 -0.20 0.00 -0.15 0.00 0.00 55.06 55.94 1fjd s HIS 123 Cb -0.13 0.13 -0.03 0.00 1.11 0.00 0.00 32.58 33.66 1fjd s HIS 123 CO 0.22 -0.19 0.60 0.42 -0.85 0.00 0.00 174.74 174.94 1fjd s ILE 124 N 0.16 5.06 -0.27 0.60 1.01 0.47 0.99 121.20 129.24 1fjd s ILE 124 Ca -0.00 1.14 0.01 0.00 0.00 0.00 0.00 60.65 61.80 1fjd s ILE 124 Cb -0.02 -3.92 0.05 0.00 0.01 0.00 0.00 42.46 38.58 1fjd s ILE 124 CO 0.01 0.17 -0.08 -0.63 0.00 0.00 0.00 174.94 174.41 1fjd s ILE 125 N 1.53 2.45 -0.19 2.92 1.01 -1.23 -2.20 121.20 125.49 1fjd s ILE 125 Ca 0.29 -1.48 -0.02 0.00 0.00 0.00 0.00 60.65 59.44 1fjd s ILE 125 Cb -0.16 -2.40 0.00 0.00 0.01 0.00 0.00 42.46 39.92 1fjd s ILE 125 CO 0.11 -0.00 -0.11 0.00 0.00 0.00 0.00 174.94 174.94 1fjd s MET 126 N 1.17 3.24 0.26 2.79 0.23 -1.15 -3.63 119.30 122.21 1fjd s MET 126 Ca -0.06 -0.71 -0.11 0.00 -1.03 0.00 0.00 55.69 53.78 1fjd s MET 126 Cb -0.19 -2.80 -0.07 0.00 -1.53 0.00 0.00 34.83 30.24 1fjd s MET 126 CO -0.04 -0.13 0.59 0.08 -2.03 0.00 0.00 175.02 173.49 1fjd s VAL 127 N 1.23 4.88 -0.37 5.16 1.01 -1.11 -0.37 120.40 130.83 1fjd s VAL 127 Ca 0.03 0.55 0.02 0.00 0.00 0.00 0.00 61.98 62.58 1fjd s VAL 127 Cb -0.14 -3.62 0.15 0.00 0.00 0.00 0.00 36.38 32.77 1fjd s VAL 127 CO -0.05 -0.12 0.33 -0.70 0.00 0.00 0.00 175.10 174.56 1fjd s GLU 128 N -2.92 0.63 0.00 2.72 2.12 0.96 0.21 118.70 122.41 1fjd s GLU 128 Ca 0.49 -1.07 0.00 0.00 0.36 0.00 0.00 54.97 54.75 1fjd s GLU 128 Cb -0.11 -0.92 0.00 0.00 0.26 0.00 0.00 34.13 33.36 1fjd s GLU 128 CO 0.21 -1.21 0.00 0.41 -0.54 0.00 0.00 175.26 174.13 1fjd n GLY 129 N 4.09 -1.25 3.77 -1.50 0.00 -1.26 -2.91 105.19 106.13 1fjd n GLY 129 Ca 0.12 -0.91 -0.23 0.00 0.00 0.00 0.00 46.02 45.01 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 -2.47 2.41 0.00 1.61 1.70 -1.25 -1.38 118.95 119.57 1fjd s ARG 130 Ca 0.00 -1.57 0.00 0.00 -0.47 0.00 0.00 55.73 53.69 1fjd s ARG 130 Cb 0.00 -2.20 0.00 0.00 -0.57 0.00 0.00 34.95 32.18 1fjd s ARG 130 CO 0.00 0.03 0.00 1.63 -1.08 0.00 0.00 175.30 175.88