#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 -0.24 0.03 1.61 0.15 -1.26 -5.19 113.70 108.81 1fjd s SER 29 Ca 0.00 0.35 -0.01 0.00 0.70 0.00 0.00 55.95 56.99 1fjd s SER 29 Cb 0.00 0.32 0.00 0.00 -1.71 0.00 0.00 66.02 64.63 1fjd s SER 29 CO 0.00 -0.15 0.06 0.61 1.20 0.00 0.00 173.24 174.95 1fjd n GLY 30 N 1.18 2.13 3.55 9.45 0.00 -1.26 -5.08 105.19 115.17 1fjd n GLY 30 Ca -0.08 -1.10 -0.37 0.00 0.00 0.00 0.00 46.02 44.47 1fjd n GLY 30 CO 0.00 0.00 0.00 -4.14 0.00 0.00 0.00 173.32 169.18 1fjd s PRO 31 N -2.02 2.22 0.42 1.61 0.01 -1.26 -4.95 135.00 131.04 1fjd s PRO 31 Ca 0.01 1.37 -0.07 0.00 0.01 0.00 0.00 61.00 62.33 1fjd s PRO 31 Cb -0.00 -4.55 -0.05 0.00 0.01 0.00 0.00 34.50 29.91 1fjd s PRO 31 CO 0.01 -3.15 0.74 0.21 0.01 0.00 0.00 177.00 174.82 1fjd s LYS 32 N 8.01 3.63 0.00 5.54 2.20 -1.26 -5.04 119.74 132.82 1fjd s LYS 32 Ca 0.95 0.24 0.00 0.00 -0.36 0.00 0.00 55.97 56.79 1fjd s LYS 32 Cb -0.18 -2.43 0.00 0.00 -1.51 0.00 0.00 37.83 33.71 1fjd s LYS 32 CO 0.26 -0.08 0.00 0.41 -0.36 0.00 0.00 175.35 175.58 1fjd n GLY 33 N -1.75 4.77 2.56 5.54 0.00 -1.26 -5.04 105.19 110.01 1fjd n GLY 33 Ca 0.01 -0.83 -0.19 0.00 0.00 0.00 0.00 46.02 45.01 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 -1.54 3.94 7.00 -0.02 0.00 -1.26 -5.07 105.19 108.24 1fjd n GLY 34 Ca 0.00 -2.08 0.00 0.00 0.00 0.00 0.00 46.02 43.94 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 -0.30 2.59 2.66 -0.02 0.00 -1.22 -4.75 105.19 104.16 1fjd n GLY 35 Ca 0.25 0.34 -0.09 0.00 0.00 0.00 0.00 46.02 46.52 1fjd n GLY 35 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 1fjd n ASN 36 N 5.07 -5.29 -3.75 1.61 2.85 -1.24 -4.84 115.26 109.66 1fjd n ASN 36 Ca 0.00 0.23 -0.13 0.00 -0.11 0.00 0.00 54.58 54.56 1fjd n ASN 36 Cb 0.00 -3.59 -0.08 0.00 1.24 0.00 0.00 39.78 37.34 1fjd n ASN 36 CO 0.00 0.00 0.00 0.00 -2.11 0.00 0.00 177.26 175.15 1fjd s ALA 37 N -1.94 -0.81 -0.01 5.20 0.00 -1.18 -3.36 121.76 119.66 1fjd s ALA 37 Ca 0.00 0.34 -0.16 0.00 0.00 0.00 0.00 51.96 52.14 1fjd s ALA 37 Cb 0.00 0.09 0.03 0.00 0.00 0.00 0.00 23.12 23.23 1fjd s ALA 37 CO 0.00 -0.27 0.33 0.14 0.00 0.00 0.00 175.76 175.96 1fjd s VAL 38 N -1.39 0.06 -0.80 0.00 -7.23 -0.90 -3.32 120.40 106.82 1fjd s VAL 38 Ca -0.13 -0.48 -0.21 0.00 -1.81 0.00 0.00 61.98 59.36 1fjd s VAL 38 Cb -0.05 -0.70 0.10 0.00 0.56 0.00 0.00 36.38 36.29 1fjd s VAL 38 CO 0.04 -0.26 1.06 -0.75 -0.31 0.00 0.00 175.10 174.88 1fjd s LYS 39 N -1.54 3.35 0.03 4.82 2.47 -0.83 -2.42 119.74 125.62 1fjd s LYS 39 Ca -0.12 -1.28 -0.05 0.00 -1.56 0.00 0.00 55.97 52.97 1fjd s LYS 39 Cb -0.04 -4.60 -0.05 0.00 -1.46 0.00 0.00 37.83 31.68 1fjd s LYS 39 CO 0.03 -1.81 0.26 0.54 0.16 0.00 0.00 175.35 174.53 1fjd s VAL 40 N 3.47 5.32 0.12 4.02 0.11 -1.24 0.29 120.40 132.48 1fjd s VAL 40 Ca 0.28 0.01 0.09 0.00 -2.93 0.00 0.00 61.98 59.43 1fjd s VAL 40 Cb -0.11 -3.58 -0.04 0.00 -1.53 0.00 0.00 36.38 31.13 1fjd s VAL 40 CO 0.00 0.27 -0.23 -0.13 -3.33 0.00 0.00 175.10 171.68 1fjd s ARG 41 N -2.04 1.24 -0.04 1.54 0.52 0.78 -2.02 118.95 118.92 1fjd s ARG 41 Ca 0.31 -1.25 0.01 0.00 -0.52 0.00 0.00 55.73 54.28 1fjd s ARG 41 Cb -0.13 -1.58 0.02 0.00 0.52 0.00 0.00 34.95 33.78 1fjd s ARG 41 CO 0.20 0.37 -0.05 -3.38 0.02 0.00 0.00 175.30 172.46 1fjd s HIS 42 N -1.17 0.76 -0.23 -0.53 -3.43 -1.26 -1.72 115.29 107.71 1fjd s HIS 42 Ca 0.10 -0.21 0.02 0.00 -0.80 0.00 0.00 55.06 54.17 1fjd s HIS 42 Cb -0.10 -0.67 0.05 0.00 -1.43 0.00 0.00 32.58 30.43 1fjd s HIS 42 CO 0.05 -0.19 -0.12 -1.50 -2.00 0.00 0.00 174.74 170.98 1fjd s ILE 43 N 0.87 1.99 0.11 -5.38 2.07 0.10 -2.52 121.20 118.45 1fjd s ILE 43 Ca -0.12 -1.34 0.07 0.00 -1.41 0.00 0.00 60.65 57.86 1fjd s ILE 43 Cb -0.14 -2.04 -0.04 0.00 0.13 0.00 0.00 42.46 40.36 1fjd s ILE 43 CO 0.00 0.12 -0.09 -0.22 -1.91 0.00 0.00 174.94 172.85 1fjd s LEU 44 N 1.22 3.08 0.00 8.50 2.96 0.13 0.19 118.68 134.76 1fjd s LEU 44 Ca -0.04 -0.39 0.00 0.00 -0.22 0.00 0.00 54.13 53.48 1fjd s LEU 44 Cb -0.18 -1.85 0.00 0.00 0.50 0.00 0.00 46.19 44.66 1fjd s LEU 44 CO -0.07 0.17 0.00 0.00 -1.32 0.00 0.00 176.35 175.12 1fjd n GLU 46 N -1.81 0.00 0.10 0.00 2.13 -1.26 -3.88 120.64 115.92 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 0.40 0.00 0.14 0.00 0.27 0.00 0.00 31.44 32.25 1fjd n GLU 46 CO 0.00 0.00 0.00 0.87 -0.41 0.00 0.00 177.13 177.59 1fjd h LYS 47 N 0.00 0.00 -0.01 5.31 1.57 -1.95 -3.46 116.57 118.03 1fjd h LYS 47 Ca 0.00 0.00 -0.01 0.00 -1.87 0.00 0.00 60.65 58.77 1fjd h LYS 47 Cb 0.00 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 32.31 1fjd h LYS 47 CO 0.00 0.00 -0.01 0.72 -0.57 0.00 0.00 179.45 179.59 1fjd n HIS 48 N -2.42 0.00 0.19 -1.35 8.25 -1.25 -4.80 115.22 113.84 1fjd n HIS 48 Ca 0.03 0.00 0.06 0.00 -0.26 0.00 0.00 57.72 57.55 1fjd n HIS 48 Cb 0.48 -1.62 0.33 0.00 1.12 0.00 0.00 29.99 30.30 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 0.00 0.00 -1.41 0.00 -1.91 -3.24 103.07 96.51 1fjd h GLY 49 Ca -0.01 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.32 1fjd h GLY 49 CO 0.01 0.00 -0.33 0.58 0.00 0.00 0.00 176.54 176.80 1fjd n LYS 50 N -3.48 4.89 -0.35 4.80 0.00 -1.26 -4.47 118.16 118.30 1fjd n LYS 50 Ca 0.00 -0.00 0.34 0.00 -0.00 0.00 0.00 58.31 58.65 1fjd n LYS 50 Cb 0.52 -0.76 0.71 0.00 -0.00 0.00 0.00 35.03 35.50 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 0.00 0.39 0.07 0.58 6.09 -1.86 2.44 117.51 125.22 1fjd h ILE 51 Ca 0.00 -0.03 -0.31 0.00 -1.37 0.00 0.00 64.86 63.15 1fjd h ILE 51 Cb 0.12 0.31 -0.03 0.00 0.47 0.00 0.00 36.82 37.69 1fjd h ILE 51 CO 0.00 0.01 -1.69 0.00 -3.07 0.00 0.00 178.15 173.40 1fjd h MET 52 N 0.08 0.15 0.00 2.19 -0.00 -1.80 -2.76 114.93 112.79 1fjd h MET 52 Ca 0.60 -0.26 -0.04 0.00 -0.00 0.00 0.00 59.70 60.00 1fjd h MET 52 Cb 2.23 0.10 -0.01 0.00 -0.00 0.00 0.00 31.60 33.92 1fjd h MET 52 CO -0.08 0.91 -0.21 1.49 -0.00 0.00 0.00 176.91 179.02 1fjd h GLU 53 N 0.04 0.00 -0.04 -0.10 4.81 0.45 0.51 114.58 120.25 1fjd h GLU 53 Ca -0.29 0.00 -0.12 0.00 -0.13 0.00 0.00 59.36 58.82 1fjd h GLU 53 Cb 2.01 0.00 -0.01 0.00 0.63 0.00 0.00 28.75 31.37 1fjd h GLU 53 CO 0.11 0.21 -0.52 0.00 -0.73 0.00 0.00 179.01 178.09 1fjd h ALA 54 N 1.79 1.07 -0.07 2.92 0.00 0.37 0.63 119.26 125.97 1fjd h ALA 54 Ca -0.00 -0.48 -0.08 0.00 0.00 0.00 0.00 54.91 54.35 1fjd h ALA 54 Cb 0.39 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.10 1fjd h ALA 54 CO 0.03 0.66 -0.29 0.52 0.00 0.00 0.00 179.25 180.17 1fjd h MET 55 N 0.08 0.31 0.40 0.00 2.86 0.06 -2.91 114.93 115.72 1fjd h MET 55 Ca -0.00 -0.25 -0.02 0.00 -2.06 0.00 0.00 59.70 57.37 1fjd h MET 55 Cb 0.94 0.05 0.00 0.00 0.06 0.00 0.00 31.60 32.65 1fjd h MET 55 CO 0.07 0.89 -0.19 0.93 1.06 0.00 0.00 176.91 179.67 1fjd h GLU 56 N -0.19 -0.51 0.00 1.72 4.39 -0.05 -2.58 114.58 117.36 1fjd h GLU 56 Ca -0.02 0.03 0.00 0.00 0.34 0.00 0.00 59.36 59.72 1fjd h GLU 56 Cb 0.93 0.12 0.00 0.00 -0.10 0.00 0.00 28.75 29.70 1fjd h GLU 56 CO 0.06 -0.28 0.00 1.63 -1.16 0.00 0.00 179.01 179.26 1fjd n LYS 57 N -5.13 0.00 -0.50 2.33 5.02 0.22 0.13 118.16 120.22 1fjd n LYS 57 Ca -0.07 0.83 0.42 0.00 -2.02 0.00 0.00 58.31 57.46 1fjd n LYS 57 Cb 0.24 -1.39 0.75 0.00 -0.02 0.00 0.00 35.03 34.61 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 0.07 0.00 -0.35 4.07 -1.66 -0.10 115.31 117.35 1fjd h LEU 58 Ca 0.00 0.03 0.00 0.00 0.08 0.00 0.00 57.88 57.99 1fjd h LEU 58 Cb 0.00 0.02 0.00 0.00 1.08 0.00 0.00 40.66 41.76 1fjd h LEU 58 CO 0.00 -0.03 0.00 0.29 -1.08 0.00 0.00 178.44 177.62 1fjd n LYS 59 N -4.21 0.00 -0.52 1.13 5.02 0.32 -3.93 118.16 115.97 1fjd n LYS 59 Ca 0.35 0.24 0.43 0.00 -2.02 0.00 0.00 58.31 57.31 1fjd n LYS 59 Cb 1.56 -0.73 0.66 0.00 -0.02 0.00 0.00 35.03 36.50 1fjd n LYS 59 CO 0.00 0.00 0.00 -1.13 -0.52 0.00 0.00 177.40 175.75 1fjd n SER 60 N -1.28 0.00 0.00 4.39 3.41 0.34 -4.63 113.62 115.85 1fjd n SER 60 Ca 0.00 0.87 0.00 0.00 -0.26 0.00 0.00 58.87 59.48 1fjd n SER 60 Cb 0.00 -0.40 0.00 0.00 -0.26 0.00 0.00 64.21 63.55 1fjd n SER 60 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1fjd n GLY 61 N -1.81 1.89 0.00 5.00 0.00 -0.20 -5.07 105.19 104.99 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 -0.13 0.00 0.00 0.00 173.32 173.19 1fjd n MET 62 N -0.75 3.06 -2.70 1.61 1.56 -0.32 -4.91 117.12 114.66 1fjd n MET 62 Ca 0.00 0.00 -0.42 0.00 -0.27 0.00 0.00 57.70 57.01 1fjd n MET 62 Cb 0.00 0.00 -0.03 0.00 2.15 0.00 0.00 33.22 35.34 1fjd n MET 62 CO 0.00 0.00 0.00 1.03 -0.73 0.00 0.00 175.97 176.27 1fjd s ARG 63 N 0.00 4.54 -0.05 2.12 0.52 -1.26 -4.87 118.95 119.95 1fjd s ARG 63 Ca 0.00 1.42 0.12 0.00 -0.52 0.00 0.00 55.73 56.75 1fjd s ARG 63 Cb 0.00 -3.47 -0.23 0.00 0.52 0.00 0.00 34.95 31.77 1fjd s ARG 63 CO 0.00 -0.08 0.65 1.19 0.02 0.00 0.00 175.30 177.08 1fjd n PHE 64 N 4.01 1.01 -0.01 -0.53 3.72 -1.26 -3.38 117.46 121.02 1fjd n PHE 64 Ca 0.06 0.36 -0.14 0.00 -0.05 0.00 0.00 57.45 57.68 1fjd n PHE 64 Cb 0.51 -1.18 -0.14 0.00 -0.94 0.00 0.00 39.48 37.72 1fjd n PHE 64 CO 0.00 0.00 0.00 -1.71 -0.05 0.00 0.00 176.76 175.00 1fjd n ASN 65 N -3.07 1.43 0.04 4.37 5.15 -1.26 -2.70 115.26 119.22 1fjd n ASN 65 Ca -0.18 0.31 -0.13 0.00 -0.60 0.00 0.00 54.58 53.99 1fjd n ASN 65 Cb 1.05 -0.41 -0.09 0.00 -0.53 0.00 0.00 39.78 39.81 1fjd n ASN 65 CO 0.00 0.00 0.00 -0.33 1.40 0.00 0.00 177.26 178.33 1fjd h GLU 66 N 0.03 -0.12 -0.10 1.20 4.39 -1.97 0.12 114.58 118.13 1fjd h GLU 66 Ca -0.36 0.01 0.00 0.00 0.34 0.00 0.00 59.36 59.35 1fjd h GLU 66 Cb 2.03 0.03 -0.01 0.00 -0.10 0.00 0.00 28.75 30.70 1fjd h GLU 66 CO 0.08 0.29 0.07 -0.39 -1.16 0.00 0.00 179.01 177.90 1fjd h VAL 67 N -0.55 1.04 -0.60 3.13 -1.51 -1.74 0.11 116.25 116.13 1fjd h VAL 67 Ca -0.01 -0.09 0.17 0.00 -1.23 0.00 0.00 66.70 65.55 1fjd h VAL 67 Cb 0.46 0.91 -0.02 0.00 -2.13 0.00 0.00 31.29 30.50 1fjd h VAL 67 CO 0.02 0.04 0.44 0.00 -1.23 0.00 0.00 177.57 176.83 1fjd h ALA 68 N 1.02 2.56 -0.30 5.19 0.00 -1.45 0.84 119.26 127.12 1fjd h ALA 68 Ca 0.04 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.93 1fjd h ALA 68 Cb 0.00 0.05 0.00 0.00 0.00 0.00 0.00 17.79 17.84 1fjd h ALA 68 CO -0.01 -0.75 0.00 0.00 0.00 0.00 0.00 179.25 178.49 1fjd n ALA 69 N -2.65 -0.30 -0.08 0.00 0.00 0.42 -2.50 120.51 115.41 1fjd n ALA 69 Ca 0.11 0.00 -0.22 0.00 0.00 0.00 0.00 53.44 53.33 1fjd n ALA 69 Cb 0.68 0.00 -0.12 0.00 0.00 0.00 0.00 19.45 20.01 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 -1.85 0.63 -0.33 0.00 0.00 -0.65 -4.06 117.38 111.12 1fjd n GLN 70 Ca 0.00 0.45 0.36 0.00 -0.00 0.00 0.00 57.00 57.81 1fjd n GLN 70 Cb 0.00 -1.71 0.74 0.00 0.00 0.00 0.00 30.24 29.27 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 -0.66 0.00 0.00 3.69 -1.99 0.53 3.56 116.97 122.09 1fjd h TYR 71 Ca -0.41 0.00 0.00 0.00 2.00 0.00 0.00 58.73 60.32 1fjd h TYR 71 Cb 1.56 0.00 0.00 0.00 2.00 0.00 0.00 36.73 40.29 1fjd h TYR 71 CO 0.08 0.00 0.00 0.43 -0.00 0.00 0.00 178.16 178.67 1fjd n SER 72 N -4.04 0.00 -3.30 3.88 7.64 -0.91 -3.70 113.62 113.19 1fjd n SER 72 Ca 0.26 -0.13 -0.13 0.00 1.01 0.00 0.00 58.87 59.88 1fjd n SER 72 Cb 1.31 -0.27 -0.04 0.00 -1.01 0.00 0.00 64.21 64.20 1fjd n SER 72 CO 0.00 0.00 0.00 1.21 -3.01 0.00 0.00 175.04 173.24 1fjd n GLU 73 N -1.27 -0.95 0.00 1.43 0.00 1.18 0.17 120.64 121.19 1fjd n GLU 73 Ca 0.13 0.00 0.00 0.00 0.00 0.00 0.00 57.16 57.30 1fjd n GLU 73 Cb 0.21 -1.35 0.00 0.00 0.00 0.00 0.00 31.44 30.30 1fjd n GLU 73 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 177.13 176.73 1fjd n ASP 74 N -0.92 0.31 0.00 4.31 5.75 -1.26 -4.71 116.55 120.03 1fjd n ASP 74 Ca -0.12 0.00 0.06 0.00 -0.01 0.00 0.00 54.79 54.72 1fjd n ASP 74 Cb 0.28 0.00 0.31 0.00 -1.03 0.00 0.00 41.12 40.68 1fjd n ASP 74 CO 0.00 0.00 0.00 1.17 -0.11 0.00 0.00 177.20 178.26 1fjd n LYS 75 N 0.00 0.17 -0.53 0.11 3.00 -1.26 -4.97 118.16 114.68 1fjd n LYS 75 Ca 0.00 0.17 0.00 0.00 -0.00 0.00 0.00 58.31 58.48 1fjd n LYS 75 Cb 0.00 -1.50 0.00 0.00 0.00 0.00 0.00 35.03 33.53 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 -1.29 -1.00 -3.29 3.14 0.00 -1.26 -4.53 120.51 112.28 1fjd n ALA 76 Ca 0.06 0.16 0.00 0.00 0.00 0.00 0.00 53.44 53.66 1fjd n ALA 76 Cb 0.10 -0.83 0.00 0.00 0.00 0.00 0.00 19.45 18.73 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 -1.86 1.72 0.00 0.00 1.85 -1.04 -3.30 116.66 114.03 1fjd n ARG 77 Ca 0.00 0.00 0.00 0.00 -1.00 0.00 0.00 57.85 56.85 1fjd n ARG 77 Cb 0.16 0.00 0.00 0.00 -1.05 0.00 0.00 32.46 31.57 1fjd n ARG 77 CO 0.00 0.00 0.00 1.04 -0.01 0.00 0.00 177.63 178.66 1fjd n GLN 78 N -0.49 0.00 0.24 2.89 3.00 -1.26 0.16 117.38 121.92 1fjd n GLN 78 Ca 0.00 0.00 0.17 0.00 -0.01 0.00 0.00 57.00 57.16 1fjd n GLN 78 Cb 0.00 0.00 0.87 0.00 0.00 0.00 0.00 30.24 31.11 1fjd n GLN 78 CO 0.00 0.00 0.00 0.78 0.00 0.00 0.00 177.06 177.84 1fjd h GLY 79 N 0.00 0.00 0.00 1.08 0.00 -1.88 -2.56 103.07 99.71 1fjd h GLY 79 Ca 0.00 0.00 -0.19 0.00 0.00 0.00 0.00 47.33 47.14 1fjd h GLY 79 CO 0.00 0.00 -1.21 0.61 0.00 0.00 0.00 176.54 175.94 1fjd n GLY 80 N -1.36 -0.81 1.93 4.60 0.00 0.41 -5.03 105.19 104.93 1fjd n GLY 80 Ca 0.00 -0.02 0.00 0.00 0.00 0.00 0.00 46.02 46.01 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 -4.46 -4.22 -0.49 1.61 -0.08 -0.97 -4.52 116.55 103.43 1fjd n ASP 81 Ca -0.27 0.42 0.42 0.00 -1.51 0.00 0.00 54.79 53.84 1fjd n ASP 81 Cb 0.59 -0.91 0.64 0.00 2.34 0.00 0.00 41.12 43.78 1fjd n ASP 81 CO 0.00 0.00 0.00 0.18 0.12 0.00 0.00 177.20 177.50 1fjd n LEU 82 N 1.48 0.00 0.00 -2.67 7.99 -0.86 -4.86 117.00 118.09 1fjd n LEU 82 Ca 0.00 0.87 0.00 0.00 -0.01 0.00 0.00 56.01 56.87 1fjd n LEU 82 Cb 0.13 -0.39 0.00 0.00 -0.11 0.00 0.00 43.42 43.06 1fjd n LEU 82 CO 0.00 -0.87 0.00 0.61 -1.51 0.00 0.00 177.39 175.62 1fjd n GLY 83 N -1.82 -3.09 3.64 -0.72 0.00 -1.22 -4.92 105.19 97.06 1fjd n GLY 83 Ca 0.35 -1.93 -0.44 0.00 0.00 0.00 0.00 46.02 43.99 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 -0.17 1.83 -3.76 1.61 7.02 -1.26 -3.77 117.44 118.94 1fjd n TRP 84 Ca 0.00 0.58 -0.14 0.00 -1.02 0.00 0.00 57.50 56.92 1fjd n TRP 84 Cb 0.00 -2.36 -0.15 0.00 -2.42 0.00 0.00 31.31 26.38 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 -1.18 0.06 0.09 -0.99 -1.94 -1.02 -4.89 119.30 109.43 1fjd s MET 85 Ca 0.62 0.31 0.05 0.00 -1.71 0.00 0.00 55.69 54.96 1fjd s MET 85 Cb -0.66 -0.18 -0.04 0.00 2.01 0.00 0.00 34.83 35.96 1fjd s MET 85 CO 0.57 -0.15 -0.00 0.95 -0.01 0.00 0.00 175.02 176.37 1fjd s THR 86 N 1.06 3.98 1.06 2.05 -4.23 -1.25 -2.13 115.64 116.18 1fjd s THR 86 Ca -0.08 -1.02 -0.18 0.00 -1.18 0.00 0.00 61.69 59.23 1fjd s THR 86 Cb -0.11 -2.90 0.09 0.00 1.34 0.00 0.00 72.50 70.92 1fjd s THR 86 CO -0.05 0.11 -0.11 -1.14 -0.54 0.00 0.00 174.62 172.90 1fjd n ARG 87 N 0.54 -1.63 0.00 3.99 0.63 -1.22 -3.03 116.66 115.94 1fjd n ARG 87 Ca -0.11 -0.47 0.00 0.00 -0.92 0.00 0.00 57.85 56.35 1fjd n ARG 87 Cb 0.52 -1.52 0.00 0.00 0.45 0.00 0.00 32.46 31.91 1fjd n ARG 87 CO 0.00 0.00 0.00 0.41 -2.51 0.00 0.00 177.63 175.53 1fjd n GLY 88 N 2.39 1.91 0.00 5.14 0.00 -1.26 -4.90 105.19 108.47 1fjd n GLY 88 Ca 0.02 -0.37 0.00 0.00 0.00 0.00 0.00 46.02 45.67 1fjd n GLY 88 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 1fjd n SER 89 N 1.66 0.00 0.00 1.61 2.88 -1.17 -4.98 113.62 113.62 1fjd n SER 89 Ca 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.54 1fjd n SER 89 Cb 0.00 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.46 1fjd n SER 89 CO 0.00 0.00 0.00 0.80 -1.23 0.00 0.00 175.04 174.61 1fjd n MET 90 N 0.00 0.00 -4.35 -1.46 0.00 -1.26 -4.64 117.12 105.42 1fjd n MET 90 Ca 0.00 0.00 -0.25 0.00 0.00 0.00 0.00 57.70 57.45 1fjd n MET 90 Cb 0.00 0.00 -0.13 0.00 0.00 0.00 0.00 33.22 33.09 1fjd n MET 90 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 175.97 176.05 1fjd s VAL 91 N 0.00 1.76 0.14 1.12 1.01 -1.26 -5.04 120.40 118.13 1fjd s VAL 91 Ca 0.00 -1.51 -0.27 0.00 0.00 0.00 0.00 61.98 60.19 1fjd s VAL 91 Cb 0.00 -1.58 -0.02 0.00 0.00 0.00 0.00 36.38 34.78 1fjd s VAL 91 CO 0.00 -0.01 1.58 1.23 0.00 0.00 0.00 175.10 177.90 1fjd h GLY 92 N 4.17 -0.58 0.96 4.51 0.00 -1.95 -2.42 103.07 107.76 1fjd h GLY 92 Ca -0.46 0.51 -0.00 0.00 0.00 0.00 0.00 47.33 47.38 1fjd h GLY 92 CO 0.40 -0.20 -0.03 -2.55 0.00 0.00 0.00 176.54 174.16 1fjd h PRO 93 N -0.39 -0.08 -0.43 4.80 0.11 -1.92 0.28 132.00 134.37 1fjd h PRO 93 Ca 0.11 0.01 0.04 0.00 0.11 0.00 0.00 66.00 66.27 1fjd h PRO 93 Cb 0.59 0.02 -0.06 0.00 0.11 0.00 0.00 31.00 31.66 1fjd h PRO 93 CO -0.49 -0.02 -0.36 0.35 -0.21 0.00 0.00 178.00 177.27 1fjd h PHE 94 N -0.12 -1.13 -0.68 0.65 3.04 -1.74 -0.05 116.94 116.90 1fjd h PHE 94 Ca -0.01 0.07 -0.02 0.00 3.98 0.00 0.00 57.97 61.98 1fjd h PHE 94 Cb 0.10 0.55 -0.03 0.00 2.56 0.00 0.00 35.95 39.13 1fjd h PHE 94 CO -0.06 -0.27 0.34 1.96 -2.02 0.00 0.00 178.31 178.25 1fjd h GLN 95 N -0.13 0.98 -1.32 1.11 4.20 -1.45 -2.34 115.11 116.15 1fjd h GLN 95 Ca 0.07 -0.14 0.43 0.00 0.06 0.00 0.00 58.65 59.07 1fjd h GLN 95 Cb 0.32 -0.18 -0.12 0.00 0.30 0.00 0.00 27.48 27.80 1fjd h GLN 95 CO -0.48 0.76 0.86 0.93 -0.67 0.00 0.00 178.83 180.23 1fjd h GLU 96 N 0.95 0.09 0.00 1.46 5.08 0.95 -0.05 114.58 123.06 1fjd h GLU 96 Ca 0.24 -0.01 0.00 0.00 -1.00 0.00 0.00 59.36 58.59 1fjd h GLU 96 Cb 0.10 -0.02 0.00 0.00 0.50 0.00 0.00 28.75 29.33 1fjd h GLU 96 CO -0.03 0.06 0.00 0.00 -1.00 0.00 0.00 179.01 178.04 1fjd n ALA 97 N -2.53 0.00 0.02 3.43 0.00 -0.74 -3.84 120.51 116.85 1fjd n ALA 97 Ca 0.37 0.00 -0.04 0.00 0.00 0.00 0.00 53.44 53.77 1fjd n ALA 97 Cb 1.42 0.00 -0.02 0.00 0.00 0.00 0.00 19.45 20.85 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 -0.62 -1.84 0.00 0.00 -1.48 2.27 119.26 115.60 1fjd h ALA 98 Ca 0.00 -0.02 0.55 0.00 0.00 0.00 0.00 54.91 55.44 1fjd h ALA 98 Cb 0.00 0.58 -0.09 0.00 0.00 0.00 0.00 17.79 18.28 1fjd h ALA 98 CO 0.00 -0.65 1.31 0.35 0.00 0.00 0.00 179.25 180.26 1fjd h PHE 99 N -0.15 0.09 0.00 0.00 3.04 -1.21 1.35 116.94 120.05 1fjd h PHE 99 Ca 0.00 0.00 -0.14 0.00 3.98 0.00 0.00 57.97 61.82 1fjd h PHE 99 Cb 0.16 -0.02 -0.03 0.00 2.56 0.00 0.00 35.95 38.62 1fjd h PHE 99 CO -0.37 -0.05 -1.91 0.00 -2.02 0.00 0.00 178.31 173.96 1fjd n ALA 100 N -2.85 2.25 -1.97 2.41 0.00 -0.15 -4.96 120.51 115.24 1fjd n ALA 100 Ca 0.43 -0.73 -0.21 0.00 0.00 0.00 0.00 53.44 52.93 1fjd n ALA 100 Cb 1.91 -0.66 0.05 0.00 0.00 0.00 0.00 19.45 20.74 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 -5.10 3.22 0.00 0.00 1.43 0.75 -5.03 118.68 113.94 1fjd s LEU 101 Ca -0.07 -0.03 0.00 0.00 -1.03 0.00 0.00 54.13 53.00 1fjd s LEU 101 Cb 0.10 -2.78 0.00 0.00 0.03 0.00 0.00 46.19 43.54 1fjd s LEU 101 CO 0.86 -1.24 0.00 -2.65 0.23 0.00 0.00 176.35 173.55 1fjd n PRO 102 N -2.42 1.16 -2.95 1.29 -0.01 -1.26 -4.79 135.00 126.03 1fjd n PRO 102 Ca 0.09 0.00 -0.19 0.00 -0.01 0.00 0.00 63.50 63.39 1fjd n PRO 102 Cb 0.60 0.00 0.04 0.00 -0.01 0.00 0.00 33.50 34.13 1fjd n PRO 102 CO 0.00 0.00 0.00 0.08 -0.01 0.00 0.00 175.50 175.57 1fjd s VAL 103 N 0.00 2.51 0.42 -1.45 1.01 -1.26 -4.83 120.40 116.80 1fjd s VAL 103 Ca 0.00 -0.93 0.00 0.00 0.00 0.00 0.00 61.98 61.05 1fjd s VAL 103 Cb 0.00 -2.58 0.00 0.00 0.00 0.00 0.00 36.38 33.80 1fjd s VAL 103 CO 0.00 0.00 0.00 -1.20 0.00 0.00 0.00 175.10 173.90 1fjd n SER 104 N -2.16 -7.99 0.00 3.32 7.64 0.39 -2.59 113.62 112.22 1fjd n SER 104 Ca 0.12 0.87 0.00 0.00 1.01 0.00 0.00 58.87 60.87 1fjd n SER 104 Cb 0.60 -4.26 0.00 0.00 -1.01 0.00 0.00 64.21 59.55 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 -4.14 1.02 5.01 0.23 0.00 -1.25 -3.71 105.19 102.36 1fjd n GLY 105 Ca -0.03 0.30 0.00 0.00 0.00 0.00 0.00 46.02 46.29 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 -1.24 -3.51 117.12 113.98 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 -0.04 6.12 5.68 -1.26 -4.66 116.55 123.04 1fjd n ASP 107 Ca 0.00 0.00 -0.00 0.00 -0.50 0.00 0.00 54.79 54.29 1fjd n ASP 107 Cb 0.00 0.00 -0.00 0.00 -1.14 0.00 0.00 41.12 39.98 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 -0.01 0.00 0.11 1.63 -1.98 -3.47 116.57 112.86 1fjd h LYS 108 Ca 0.00 0.00 0.00 0.00 -0.85 0.00 0.00 60.65 59.80 1fjd h LYS 108 Cb 0.00 0.00 0.00 0.00 -0.60 0.00 0.00 32.23 31.63 1fjd h LYS 108 CO 0.00 -0.01 0.00 -0.35 -3.45 0.00 0.00 179.45 175.64 1fjd n PRO 109 N -4.50 2.05 0.00 1.90 -0.04 -1.24 -4.76 135.00 128.42 1fjd n PRO 109 Ca -0.00 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.46 1fjd n PRO 109 Cb 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 33.50 33.46 1fjd n PRO 109 CO 0.00 0.00 0.00 1.55 -0.04 0.00 0.00 175.50 177.01 1fjd n VAL 110 N -0.07 0.00 0.22 0.52 3.14 -1.07 -4.80 118.33 116.27 1fjd n VAL 110 Ca 0.00 0.00 0.00 0.00 -2.96 0.00 0.00 64.34 61.38 1fjd n VAL 110 Cb 0.00 0.00 0.00 0.00 -1.06 0.00 0.00 33.84 32.78 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 2.95 -4.40 0.00 1.45 3.72 -1.26 -4.94 117.46 114.98 1fjd n PHE 111 Ca 0.00 1.44 0.00 0.00 -0.05 0.00 0.00 57.45 58.84 1fjd n PHE 111 Cb 0.00 3.50 0.00 0.00 -0.94 0.00 0.00 39.48 42.04 1fjd n PHE 111 CO 0.00 0.00 0.00 -2.37 -0.05 0.00 0.00 176.76 174.34 1fjd n THR 112 N -3.45 0.00 -3.23 4.37 5.66 -1.26 -4.90 114.28 111.46 1fjd n THR 112 Ca 0.00 0.00 -0.39 0.00 -3.05 0.00 0.00 64.05 60.61 1fjd n THR 112 Cb 0.00 0.00 -0.06 0.00 -1.55 0.00 0.00 70.33 68.72 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 -1.79 6.93 0.09 1.09 1.01 -1.26 -4.99 116.67 117.76 1fjd s ASP 113 Ca 0.00 1.11 -0.29 0.00 0.71 0.00 0.00 52.55 54.09 1fjd s ASP 113 Cb 0.00 -2.35 -0.14 0.00 1.01 0.00 0.00 42.92 41.44 1fjd s ASP 113 CO 0.00 0.10 1.65 -0.65 0.21 0.00 0.00 175.17 176.49 1fjd h PRO 114 N 5.70 -0.53 -5.12 8.23 0.11 -1.88 -3.34 132.00 135.17 1fjd h PRO 114 Ca -0.45 0.04 -0.23 0.00 0.11 0.00 0.00 66.00 65.47 1fjd h PRO 114 Cb 1.20 0.12 0.02 0.00 0.11 0.00 0.00 31.00 32.45 1fjd h PRO 114 CO 0.70 -0.35 0.67 -2.30 -0.21 0.00 0.00 178.00 176.51 1fjd n PRO 115 N -5.36 0.58 -3.70 1.05 -0.02 -1.18 -3.25 135.00 123.13 1fjd n PRO 115 Ca -0.09 -1.81 -0.31 0.00 -2.02 0.00 0.00 63.50 59.26 1fjd n PRO 115 Cb 0.27 -3.59 -0.05 0.00 -0.02 0.00 0.00 33.50 30.11 1fjd n PRO 115 CO 0.00 0.00 0.00 0.14 1.98 0.00 0.00 175.50 177.62 1fjd s VAL 116 N 13.26 5.19 0.18 -1.45 -7.23 0.21 -4.10 120.40 126.47 1fjd s VAL 116 Ca 0.75 -0.02 -0.11 0.00 -1.81 0.00 0.00 61.98 60.78 1fjd s VAL 116 Cb 0.01 -3.63 -0.07 0.00 0.56 0.00 0.00 36.38 33.25 1fjd s VAL 116 CO 0.20 0.04 0.53 -0.75 -0.31 0.00 0.00 175.10 174.81 1fjd s LYS 117 N -2.66 3.87 0.00 4.82 2.20 -1.25 -0.82 119.74 125.90 1fjd s LYS 117 Ca 0.40 0.34 0.00 0.00 -0.36 0.00 0.00 55.97 56.36 1fjd s LYS 117 Cb -0.12 -2.80 0.00 0.00 -1.51 0.00 0.00 37.83 33.39 1fjd s LYS 117 CO 0.25 0.41 0.00 -2.37 -0.36 0.00 0.00 175.35 173.28 1fjd n THR 118 N 0.36 0.00 -0.03 3.43 5.66 -1.25 -4.75 114.28 117.70 1fjd n THR 118 Ca -0.03 0.00 -0.07 0.00 -3.05 0.00 0.00 64.05 60.90 1fjd n THR 118 Cb 0.52 0.00 -0.02 0.00 -1.55 0.00 0.00 70.33 69.28 1fjd n THR 118 CO 0.00 0.00 0.00 1.17 -3.05 0.00 0.00 175.07 173.19 1fjd n LYS 119 N 0.00 0.24 -2.68 1.09 4.81 -1.26 -4.92 118.16 115.44 1fjd n LYS 119 Ca 0.00 0.10 -0.05 0.00 -0.87 0.00 0.00 58.31 57.49 1fjd n LYS 119 Cb 0.00 -0.91 0.10 0.00 0.02 0.00 0.00 35.03 34.24 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 -3.76 -1.29 0.00 5.64 7.35 -1.26 -5.15 117.46 119.00 1fjd n PHE 120 Ca -0.13 -1.23 0.00 0.00 -0.76 0.00 0.00 57.45 55.33 1fjd n PHE 120 Cb 0.40 1.34 0.00 0.00 0.35 0.00 0.00 39.48 41.57 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 0.33 0.54 3.74 7.13 0.00 -1.26 -4.70 105.19 110.98 1fjd n GLY 121 Ca -0.03 -2.17 -0.38 0.00 0.00 0.00 0.00 46.02 43.44 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 -0.78 3.57 0.02 1.61 2.02 -1.26 -3.86 117.35 118.67 1fjd s TYR 122 Ca 0.00 0.98 0.02 0.00 -0.37 0.00 0.00 57.07 57.70 1fjd s TYR 122 Cb 0.00 -2.55 -0.02 0.00 -0.40 0.00 0.00 41.96 38.99 1fjd s TYR 122 CO 0.00 0.25 -0.07 -1.01 -1.57 0.00 0.00 175.55 173.15 1fjd s HIS 123 N 0.30 0.64 0.04 2.71 3.76 0.00 -3.32 115.29 119.41 1fjd s HIS 123 Ca 0.27 -0.31 -0.19 0.00 -0.15 0.00 0.00 55.06 54.69 1fjd s HIS 123 Cb -0.16 -0.39 -0.06 0.00 1.11 0.00 0.00 32.58 33.08 1fjd s HIS 123 CO 0.12 -0.04 0.55 0.42 -0.85 0.00 0.00 174.74 174.94 1fjd s ILE 124 N -0.78 4.84 0.11 0.60 1.01 0.50 0.68 121.20 128.15 1fjd s ILE 124 Ca -0.04 1.16 0.10 0.00 0.00 0.00 0.00 60.65 61.88 1fjd s ILE 124 Cb -0.06 -3.88 -0.04 0.00 0.01 0.00 0.00 42.46 38.49 1fjd s ILE 124 CO 0.00 0.51 -0.25 -0.63 0.00 0.00 0.00 174.94 174.58 1fjd s ILE 125 N -0.80 2.05 -0.14 2.92 1.01 -1.22 0.03 121.20 125.05 1fjd s ILE 125 Ca 0.29 -1.64 -0.04 0.00 0.00 0.00 0.00 60.65 59.26 1fjd s ILE 125 Cb -0.19 -1.82 0.06 0.00 0.01 0.00 0.00 42.46 40.52 1fjd s ILE 125 CO 0.17 0.07 0.11 -0.04 0.00 0.00 0.00 174.94 175.25 1fjd s MET 126 N -1.91 0.05 0.22 2.79 -1.94 -0.70 -3.63 119.30 114.18 1fjd s MET 126 Ca 0.11 0.13 -0.12 0.00 -1.71 0.00 0.00 55.69 54.10 1fjd s MET 126 Cb -0.10 -1.29 -0.07 0.00 2.01 0.00 0.00 34.83 35.37 1fjd s MET 126 CO 0.05 -0.56 0.58 0.08 -0.01 0.00 0.00 175.02 175.16 1fjd s VAL 127 N 2.19 4.86 -0.38 -6.03 1.01 -1.23 -0.16 120.40 120.66 1fjd s VAL 127 Ca 0.04 0.67 0.04 0.00 0.00 0.00 0.00 61.98 62.73 1fjd s VAL 127 Cb -0.15 -3.66 0.16 0.00 0.00 0.00 0.00 36.38 32.74 1fjd s VAL 127 CO -0.08 0.01 0.43 -0.70 0.00 0.00 0.00 175.10 174.76 1fjd s GLU 128 N -2.57 0.69 0.00 2.72 2.12 0.84 0.15 118.70 122.65 1fjd s GLU 128 Ca 0.45 -0.81 0.00 0.00 0.36 0.00 0.00 54.97 54.98 1fjd s GLU 128 Cb -0.12 -0.58 0.00 0.00 0.26 0.00 0.00 34.13 33.68 1fjd s GLU 128 CO 0.20 -1.21 0.00 0.41 -0.54 0.00 0.00 175.26 174.12 1fjd n GLY 129 N 4.19 -0.22 0.52 -1.50 0.00 -1.26 -2.89 105.19 104.02 1fjd n GLY 129 Ca 0.12 -0.76 0.08 0.00 0.00 0.00 0.00 46.02 45.46 1fjd n GLY 129 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1fjd n ARG 130 N 0.62 1.67 -0.57 1.61 1.74 -1.24 -1.97 116.66 118.51 1fjd n ARG 130 Ca 0.00 -1.02 0.00 0.00 -0.77 0.00 0.00 57.85 56.06 1fjd n ARG 130 Cb 0.00 -1.31 0.00 0.00 -1.02 0.00 0.00 32.46 30.13 1fjd n ARG 130 CO 0.00 0.00 0.00 1.63 -1.52 0.00 0.00 177.63 177.74