#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 0.00 0.00 1.61 7.64 -1.26 -5.16 113.62 116.46 1fjd n SER 29 Ca 0.00 -0.20 0.00 0.00 1.01 0.00 0.00 58.87 59.68 1fjd n SER 29 Cb 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.20 1fjd n SER 29 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1fjd n GLY 30 N 0.00 -0.28 3.55 0.23 0.00 -1.26 -4.92 105.19 102.52 1fjd n GLY 30 Ca 0.00 -2.24 -0.32 0.00 0.00 0.00 0.00 46.02 43.46 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 0.00 2.00 0.00 1.61 0.01 -1.26 -4.73 135.00 132.63 1fjd s PRO 31 Ca 0.00 1.24 0.19 0.00 0.01 0.00 0.00 61.00 62.45 1fjd s PRO 31 Cb 0.00 -4.62 -0.04 0.00 0.01 0.00 0.00 34.50 29.85 1fjd s PRO 31 CO 0.00 -3.49 0.94 1.17 0.01 0.00 0.00 177.00 175.63 1fjd n LYS 32 N 8.98 1.35 0.00 5.54 4.81 -1.26 -4.62 118.16 132.96 1fjd n LYS 32 Ca 0.38 -0.74 0.00 0.00 -0.87 0.00 0.00 58.31 57.08 1fjd n LYS 32 Cb 0.53 -1.38 0.00 0.00 0.02 0.00 0.00 35.03 34.20 1fjd n LYS 32 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 1fjd n GLY 33 N 1.32 0.00 0.00 3.14 0.00 -1.26 -5.08 105.19 103.31 1fjd n GLY 33 Ca 0.07 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.09 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 3.12 2.10 0.00 -0.02 0.00 -1.26 -4.95 105.19 104.18 1fjd n GLY 34 Ca 0.00 -0.64 0.00 0.00 0.00 0.00 0.00 46.02 45.38 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 1.69 1.71 -0.02 0.00 -1.26 -5.09 105.19 102.22 1fjd n GLY 35 Ca 0.00 -1.73 0.00 0.00 0.00 0.00 0.00 46.02 44.29 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 0.00 0.00 -3.64 1.61 4.05 -0.41 -5.05 115.26 111.81 1fjd n ASN 36 Ca 0.00 0.00 -0.10 0.00 0.45 0.00 0.00 54.58 54.93 1fjd n ASN 36 Cb 0.00 0.05 -0.11 0.00 1.23 0.00 0.00 39.78 40.95 1fjd n ASN 36 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 177.26 174.21 1fjd s ALA 37 N -1.86 -0.92 0.07 5.20 0.00 -0.21 -4.05 121.76 119.99 1fjd s ALA 37 Ca 0.00 1.25 0.00 0.00 0.00 0.00 0.00 51.96 53.21 1fjd s ALA 37 Cb 0.00 -1.23 -0.04 0.00 0.00 0.00 0.00 23.12 21.85 1fjd s ALA 37 CO 0.00 -0.74 0.21 0.14 0.00 0.00 0.00 175.76 175.37 1fjd s VAL 38 N 2.54 5.37 -0.82 0.00 -7.23 -0.79 -2.47 120.40 116.99 1fjd s VAL 38 Ca 0.00 -0.42 -0.21 0.00 -1.81 0.00 0.00 61.98 59.55 1fjd s VAL 38 Cb -0.12 -3.63 0.10 0.00 0.56 0.00 0.00 36.38 33.29 1fjd s VAL 38 CO -0.11 0.13 1.07 -0.75 -0.31 0.00 0.00 175.10 175.12 1fjd s LYS 39 N -2.55 3.39 -0.20 4.82 2.47 -0.68 -2.50 119.74 124.49 1fjd s LYS 39 Ca 0.35 -1.34 -0.13 0.00 -1.56 0.00 0.00 55.97 53.29 1fjd s LYS 39 Cb -0.13 -4.65 -0.04 0.00 -1.46 0.00 0.00 37.83 31.54 1fjd s LYS 39 CO 0.28 -1.81 0.28 0.54 0.16 0.00 0.00 175.35 174.80 1fjd s VAL 40 N 3.38 5.29 -0.14 4.02 0.11 -1.21 0.11 120.40 131.96 1fjd s VAL 40 Ca 0.29 0.49 -0.05 0.00 -2.93 0.00 0.00 61.98 59.78 1fjd s VAL 40 Cb -0.10 -3.62 -0.03 0.00 -1.53 0.00 0.00 36.38 31.10 1fjd s VAL 40 CO -0.01 0.33 0.02 -0.13 -3.33 0.00 0.00 175.10 171.98 1fjd s ARG 41 N 0.91 3.55 -0.20 1.54 0.52 0.28 -3.23 118.95 122.32 1fjd s ARG 41 Ca 0.14 -0.40 0.00 0.00 -0.52 0.00 0.00 55.73 54.96 1fjd s ARG 41 Cb -0.14 -3.00 0.02 0.00 0.52 0.00 0.00 34.95 32.36 1fjd s ARG 41 CO 0.05 0.44 -0.16 -3.38 0.02 0.00 0.00 175.30 172.26 1fjd s HIS 42 N -0.13 2.87 -0.19 -0.53 -3.43 0.50 -1.81 115.29 112.57 1fjd s HIS 42 Ca 0.05 -1.62 -0.05 0.00 -0.80 0.00 0.00 55.06 52.63 1fjd s HIS 42 Cb -0.12 -1.95 -0.03 0.00 -1.43 0.00 0.00 32.58 29.04 1fjd s HIS 42 CO 0.02 -0.78 0.01 0.42 -2.00 0.00 0.00 174.74 172.41 1fjd s ILE 43 N 1.30 4.15 0.11 -5.38 1.01 -1.07 -3.93 121.20 117.38 1fjd s ILE 43 Ca 0.03 -0.25 0.06 0.00 0.00 0.00 0.00 60.65 60.49 1fjd s ILE 43 Cb -0.14 -2.86 -0.04 0.00 0.01 0.00 0.00 42.46 39.42 1fjd s ILE 43 CO -0.10 0.44 -0.02 -0.76 0.00 0.00 0.00 174.94 174.50 1fjd s LEU 44 N 0.76 3.35 -0.42 2.97 2.01 -1.26 -0.00 118.68 126.08 1fjd s LEU 44 Ca 0.01 -0.26 0.07 0.00 0.01 0.00 0.00 54.13 53.95 1fjd s LEU 44 Cb -0.14 -2.08 0.23 0.00 0.01 0.00 0.00 46.19 44.21 1fjd s LEU 44 CO 0.02 0.16 0.57 0.00 1.01 0.00 0.00 176.35 178.10 1fjd n GLU 46 N 1.82 0.00 -0.00 0.00 -0.58 -1.26 0.30 120.64 120.91 1fjd n GLU 46 Ca 0.20 0.87 0.06 0.00 -0.42 0.00 0.00 57.16 57.88 1fjd n GLU 46 Cb 0.54 -2.03 -0.08 0.00 -0.57 0.00 0.00 31.44 29.30 1fjd n GLU 46 CO 0.00 0.00 0.00 0.36 -0.48 0.00 0.00 177.13 177.01 1fjd n LYS 47 N -3.53 1.46 -1.19 3.49 2.85 -1.26 -4.87 118.16 115.10 1fjd n LYS 47 Ca 0.36 -0.07 -0.07 0.00 -1.05 0.00 0.00 58.31 57.48 1fjd n LYS 47 Cb 1.63 -1.19 -0.03 0.00 -0.65 0.00 0.00 35.03 34.79 1fjd n LYS 47 CO 0.00 0.00 0.00 0.72 -0.05 0.00 0.00 177.40 178.07 1fjd n HIS 48 N -1.66 0.00 0.30 5.58 8.25 0.86 -4.83 115.22 123.72 1fjd n HIS 48 Ca -0.00 0.00 0.15 0.00 -0.26 0.00 0.00 57.72 57.61 1fjd n HIS 48 Cb 0.26 -1.73 0.52 0.00 1.12 0.00 0.00 29.99 30.15 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 -1.94 -3.21 103.07 96.51 1fjd h GLY 49 Ca -0.14 0.00 -0.01 0.00 0.00 0.00 0.00 47.33 47.18 1fjd h GLY 49 CO 0.20 0.00 -1.23 0.28 0.00 0.00 0.00 176.54 175.79 1fjd n LYS 50 N -2.92 0.62 -0.39 4.80 4.01 -1.26 -4.43 118.16 118.59 1fjd n LYS 50 Ca 0.02 -0.04 0.39 0.00 -0.51 0.00 0.00 58.31 58.17 1fjd n LYS 50 Cb 0.36 -1.11 0.73 0.00 -0.51 0.00 0.00 35.03 34.49 1fjd n LYS 50 CO 0.00 0.00 0.00 0.97 -1.11 0.00 0.00 177.40 177.26 1fjd h ILE 51 N 0.00 0.21 0.05 -0.18 6.09 -1.70 2.69 117.51 124.67 1fjd h ILE 51 Ca -0.02 0.00 -0.23 0.00 -1.37 0.00 0.00 64.86 63.24 1fjd h ILE 51 Cb 0.38 0.24 -0.02 0.00 0.47 0.00 0.00 36.82 37.89 1fjd h ILE 51 CO 0.00 0.00 -1.24 -0.03 -3.07 0.00 0.00 178.15 173.81 1fjd h MET 52 N 0.00 0.11 -0.54 2.19 4.05 -1.81 0.64 114.93 119.57 1fjd h MET 52 Ca 0.64 -0.18 0.16 0.00 -0.28 0.00 0.00 59.70 60.03 1fjd h MET 52 Cb 2.74 0.07 -0.02 0.00 -0.80 0.00 0.00 31.60 33.59 1fjd h MET 52 CO -0.01 1.09 0.41 1.49 0.23 0.00 0.00 176.91 180.12 1fjd h GLU 53 N -0.66 0.00 0.01 0.39 4.81 -0.00 2.20 114.58 121.34 1fjd h GLU 53 Ca -0.30 0.00 -0.24 0.00 -0.13 0.00 0.00 59.36 58.69 1fjd h GLU 53 Cb 1.50 0.00 -0.03 0.00 0.63 0.00 0.00 28.75 30.84 1fjd h GLU 53 CO -0.07 0.00 -1.24 0.00 -0.73 0.00 0.00 179.01 176.97 1fjd h ALA 54 N 1.69 0.46 0.05 2.92 0.00 0.43 -2.54 119.26 122.26 1fjd h ALA 54 Ca 0.26 -1.08 -0.24 0.00 0.00 0.00 0.00 54.91 53.85 1fjd h ALA 54 Cb 1.08 0.06 0.02 0.00 0.00 0.00 0.00 17.79 18.95 1fjd h ALA 54 CO -0.00 1.33 -0.95 1.98 0.00 0.00 0.00 179.25 181.61 1fjd h MET 55 N 0.01 0.56 0.64 0.00 4.05 0.39 -3.01 114.93 117.57 1fjd h MET 55 Ca -0.11 -0.67 -0.03 0.00 -0.28 0.00 0.00 59.70 58.62 1fjd h MET 55 Cb 1.86 0.20 0.01 0.00 -0.80 0.00 0.00 31.60 32.87 1fjd h MET 55 CO 0.12 1.27 -0.31 1.49 0.23 0.00 0.00 176.91 179.71 1fjd h GLU 56 N 0.15 -0.83 -0.19 0.39 4.22 0.29 -2.70 114.58 115.91 1fjd h GLU 56 Ca -0.13 0.06 0.02 0.00 0.08 0.00 0.00 59.36 59.38 1fjd h GLU 56 Cb 1.64 0.19 -0.03 0.00 0.50 0.00 0.00 28.75 31.05 1fjd h GLU 56 CO 0.18 -0.55 -0.14 0.87 -2.18 0.00 0.00 179.01 177.19 1fjd h LYS 57 N -1.18 -0.03 -1.67 1.92 6.56 -1.60 1.58 116.57 122.15 1fjd h LYS 57 Ca -0.09 0.00 0.53 0.00 -1.06 0.00 0.00 60.65 60.03 1fjd h LYS 57 Cb 0.66 0.01 -0.11 0.00 -0.57 0.00 0.00 32.23 32.21 1fjd h LYS 57 CO 0.14 -0.02 1.15 -0.07 -2.06 0.00 0.00 179.45 178.59 1fjd h LEU 58 N -0.04 0.10 0.00 2.94 4.07 -1.61 0.75 115.31 121.53 1fjd h LEU 58 Ca 0.03 0.08 0.00 0.00 0.08 0.00 0.00 57.88 58.07 1fjd h LEU 58 Cb 0.12 0.09 0.00 0.00 1.08 0.00 0.00 40.66 41.94 1fjd h LEU 58 CO -0.20 -0.14 -0.07 0.11 -1.08 0.00 0.00 178.44 177.06 1fjd h LYS 59 N 0.00 0.00 -0.89 1.13 1.79 0.20 -3.37 116.57 115.44 1fjd h LYS 59 Ca 0.91 0.00 0.33 0.00 -2.18 0.00 0.00 60.65 59.72 1fjd h LYS 59 Cb 3.30 0.00 -0.16 0.00 -1.58 0.00 0.00 32.23 33.79 1fjd h LYS 59 CO -0.25 0.00 0.34 -1.13 -1.08 0.00 0.00 179.45 177.32 1fjd n SER 60 N -2.91 0.18 0.00 0.86 3.41 0.40 -4.71 113.62 110.85 1fjd n SER 60 Ca -0.01 1.49 0.00 0.00 -0.26 0.00 0.00 58.87 60.09 1fjd n SER 60 Cb 0.04 -0.67 0.00 0.00 -0.26 0.00 0.00 64.21 63.32 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 -1.30 1.68 0.00 5.00 0.00 0.17 -5.06 105.19 105.68 1fjd n GLY 61 Ca 0.30 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.32 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 -0.27 3.80 -2.46 1.61 0.00 -1.08 -4.92 117.12 113.80 1fjd n MET 62 Ca 0.00 0.00 -0.42 0.00 0.00 0.00 0.00 57.70 57.28 1fjd n MET 62 Cb 0.00 0.00 -0.03 0.00 0.00 0.00 0.00 33.22 33.19 1fjd n MET 62 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 175.97 177.00 1fjd s ARG 63 N 0.00 4.42 -0.11 2.12 0.52 -1.26 -4.83 118.95 119.81 1fjd s ARG 63 Ca 0.00 1.71 -0.05 0.00 -0.52 0.00 0.00 55.73 56.87 1fjd s ARG 63 Cb 0.00 -3.43 -0.26 0.00 0.52 0.00 0.00 34.95 31.78 1fjd s ARG 63 CO 0.00 -0.30 0.42 1.19 0.02 0.00 0.00 175.30 176.62 1fjd n PHE 64 N 4.35 1.26 -0.02 -0.53 3.01 -1.26 -3.93 117.46 120.34 1fjd n PHE 64 Ca 0.09 0.28 -0.21 0.00 1.01 0.00 0.00 57.45 58.62 1fjd n PHE 64 Cb 0.47 -1.17 -0.13 0.00 -0.01 0.00 0.00 39.48 38.63 1fjd n PHE 64 CO 0.00 0.00 0.00 0.27 1.01 0.00 0.00 176.76 178.04 1fjd n ASN 65 N -3.44 2.07 -0.22 4.37 6.94 -0.93 -2.53 115.26 121.53 1fjd n ASN 65 Ca -0.30 0.21 0.02 0.00 -0.02 0.00 0.00 54.58 54.49 1fjd n ASN 65 Cb 1.05 -0.84 0.13 0.00 -2.36 0.00 0.00 39.78 37.76 1fjd n ASN 65 CO 0.00 0.00 0.00 -0.33 -1.03 0.00 0.00 177.26 175.90 1fjd h GLU 66 N -0.12 0.38 -0.45 -3.83 5.08 -1.89 1.27 114.58 115.03 1fjd h GLU 66 Ca -0.43 -0.02 -0.04 0.00 -1.00 0.00 0.00 59.36 57.87 1fjd h GLU 66 Cb 1.91 -0.09 -0.02 0.00 0.50 0.00 0.00 28.75 31.05 1fjd h GLU 66 CO 0.02 0.25 0.14 -0.39 -1.00 0.00 0.00 179.01 178.03 1fjd h VAL 67 N 0.39 1.22 -0.47 3.13 -1.51 -1.72 -1.20 116.25 116.10 1fjd h VAL 67 Ca 0.34 -0.74 0.14 0.00 -1.23 0.00 0.00 66.70 65.21 1fjd h VAL 67 Cb 0.47 0.86 -0.02 0.00 -2.13 0.00 0.00 31.29 30.47 1fjd h VAL 67 CO -0.35 0.26 0.35 0.00 -1.23 0.00 0.00 177.57 176.59 1fjd h ALA 68 N 0.99 2.41 -2.43 5.19 0.00 0.50 0.52 119.26 126.45 1fjd h ALA 68 Ca 0.14 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 55.04 1fjd h ALA 68 Cb 0.27 0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.09 1fjd h ALA 68 CO -0.00 -0.59 0.00 0.00 0.00 0.00 0.00 179.25 178.66 1fjd n ALA 69 N -2.61 -0.07 -0.04 0.00 0.00 0.38 -3.94 120.51 114.22 1fjd n ALA 69 Ca 0.08 0.00 -0.21 0.00 0.00 0.00 0.00 53.44 53.31 1fjd n ALA 69 Cb 0.55 0.00 -0.13 0.00 0.00 0.00 0.00 19.45 19.87 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 -0.78 0.70 -0.34 0.00 3.00 -1.11 -3.22 117.38 115.64 1fjd n GLN 70 Ca 0.00 0.29 0.36 0.00 -0.01 0.00 0.00 57.00 57.64 1fjd n GLN 70 Cb 0.00 -1.67 0.75 0.00 0.00 0.00 0.00 30.24 29.31 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 -0.16 0.00 0.00 1.08 -1.99 -0.18 -3.32 116.97 112.40 1fjd h TYR 71 Ca -0.45 0.00 0.00 0.00 2.00 0.00 0.00 58.73 60.28 1fjd h TYR 71 Cb 1.88 0.00 0.00 0.00 2.00 0.00 0.00 36.73 40.61 1fjd h TYR 71 CO 0.06 0.00 0.00 0.45 -0.00 0.00 0.00 178.16 178.67 1fjd n SER 72 N -4.08 0.00 0.00 3.88 2.88 -0.68 -4.09 113.62 111.53 1fjd n SER 72 Ca 0.27 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.81 1fjd n SER 72 Cb 1.31 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 64.77 1fjd n SER 72 CO 0.00 0.00 0.00 -0.62 -1.23 0.00 0.00 175.04 173.19 1fjd n GLU 73 N 0.00 0.00 0.00 -1.46 -0.58 -1.10 -4.19 120.64 113.30 1fjd n GLU 73 Ca 0.00 0.00 0.00 0.00 -0.42 0.00 0.00 57.16 56.74 1fjd n GLU 73 Cb 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 31.44 30.87 1fjd n GLU 73 CO 0.00 0.00 0.00 -3.47 -0.48 0.00 0.00 177.13 173.18 1fjd n ASP 74 N 0.00 0.29 -4.63 1.62 -0.08 -1.25 -4.86 116.55 107.63 1fjd n ASP 74 Ca 0.00 0.00 -0.37 0.00 -1.51 0.00 0.00 54.79 52.91 1fjd n ASP 74 Cb 0.00 0.00 0.07 0.00 2.34 0.00 0.00 41.12 43.53 1fjd n ASP 74 CO 0.00 0.00 0.00 1.17 0.12 0.00 0.00 177.20 178.49 1fjd n LYS 75 N 0.00 0.78 0.00 -0.67 0.00 -1.26 -4.75 118.16 112.26 1fjd n LYS 75 Ca 0.00 0.32 0.00 0.00 0.00 0.00 0.00 58.31 58.63 1fjd n LYS 75 Cb 0.00 -2.24 0.00 0.00 0.00 0.00 0.00 35.03 32.79 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 -2.06 0.00 -0.80 3.14 0.00 -1.26 -3.46 120.51 116.07 1fjd n ALA 76 Ca 0.14 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.58 1fjd n ALA 76 Cb 0.48 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.93 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 0.00 -0.52 0.00 0.00 0.00 -1.26 -2.44 116.66 112.44 1fjd n ARG 77 Ca 0.00 0.13 0.00 0.00 -0.00 0.00 0.00 57.85 57.98 1fjd n ARG 77 Cb 0.00 -4.00 0.00 0.00 0.00 0.00 0.00 32.46 28.46 1fjd n ARG 77 CO 0.00 0.00 0.00 0.94 0.00 0.00 0.00 177.63 178.57 1fjd n GLN 78 N -1.36 0.00 0.00 -0.14 0.00 -1.26 -4.71 117.38 109.91 1fjd n GLN 78 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 57.00 57.00 1fjd n GLN 78 Cb 0.13 0.00 0.00 0.00 0.00 0.00 0.00 30.24 30.37 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 0.00 0.89 1.69 0.00 -1.16 -2.18 105.19 104.43 1fjd n GLY 79 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 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 0.00 0.73 3.47 -0.02 0.00 -1.20 -3.05 105.19 105.12 1fjd n GLY 80 Ca 0.00 -0.47 -0.12 0.00 0.00 0.00 0.00 46.02 45.43 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 0.85 0.70 0.07 1.61 -0.08 -1.02 0.19 116.55 118.87 1fjd n ASP 81 Ca 0.00 -2.15 0.02 0.00 -1.51 0.00 0.00 54.79 51.15 1fjd n ASP 81 Cb 0.00 -1.50 0.36 0.00 2.34 0.00 0.00 41.12 42.33 1fjd n ASP 81 CO 0.00 0.00 0.00 0.25 0.12 0.00 0.00 177.20 177.57 1fjd h LEU 82 N 19.93 0.33 0.00 -2.67 5.85 -1.85 -3.45 115.31 133.45 1fjd h LEU 82 Ca 0.00 -0.06 0.00 0.00 0.84 0.00 0.00 57.88 58.66 1fjd h LEU 82 Cb 1.00 -0.09 0.00 0.00 0.37 0.00 0.00 40.66 41.95 1fjd h LEU 82 CO 1.02 0.44 0.00 0.61 -0.34 0.00 0.00 178.44 180.16 1fjd n GLY 83 N -0.92 3.75 3.40 3.75 0.00 -1.26 -5.06 105.19 108.85 1fjd n GLY 83 Ca 0.00 -1.68 -0.43 0.00 0.00 0.00 0.00 46.02 43.91 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 -1.34 -0.91 -3.75 1.61 7.02 -1.26 -4.39 117.44 114.41 1fjd n TRP 84 Ca 0.00 0.67 -0.13 0.00 -1.02 0.00 0.00 57.50 57.02 1fjd n TRP 84 Cb 0.00 -1.93 -0.08 0.00 -2.42 0.00 0.00 31.31 26.87 1fjd n TRP 84 CO 0.00 0.00 0.00 1.41 -2.02 0.00 0.00 177.69 177.08 1fjd s MET 85 N -1.30 0.69 0.14 -0.99 1.75 -1.04 -4.97 119.30 113.57 1fjd s MET 85 Ca 0.62 -0.18 0.11 0.00 -1.25 0.00 0.00 55.69 54.99 1fjd s MET 85 Cb -0.67 0.31 -0.04 0.00 2.84 0.00 0.00 34.83 37.27 1fjd s MET 85 CO 0.59 -0.19 -0.25 -0.08 -0.65 0.00 0.00 175.02 174.44 1fjd s THR 86 N -1.34 2.17 0.56 10.11 -1.32 -1.26 -1.89 115.64 122.67 1fjd s THR 86 Ca -0.13 -1.79 0.49 0.00 -1.21 0.00 0.00 61.69 59.04 1fjd s THR 86 Cb -0.05 -1.95 0.72 0.00 -1.51 0.00 0.00 72.50 69.71 1fjd s THR 86 CO 0.04 0.00 1.55 -0.09 -2.21 0.00 0.00 174.62 173.92 1fjd h ARG 87 N 3.74 0.00 -0.53 7.08 2.43 -1.95 1.07 114.38 126.21 1fjd h ARG 87 Ca -0.49 0.00 0.08 0.00 -0.81 0.00 0.00 59.98 58.77 1fjd h ARG 87 Cb 1.18 0.00 -0.03 0.00 -0.42 0.00 0.00 29.97 30.70 1fjd h ARG 87 CO 0.42 0.00 0.36 0.78 -1.51 0.00 0.00 179.97 180.01 1fjd h GLY 88 N 0.00 0.50 -1.61 2.80 0.00 -1.94 -1.29 103.07 101.54 1fjd h GLY 88 Ca 0.91 -0.15 -0.02 0.00 0.00 0.00 0.00 47.33 48.07 1fjd h GLY 88 CO -0.01 0.10 0.00 1.44 0.00 0.00 0.00 176.54 178.07 1fjd n SER 89 N -4.47 3.74 -4.92 0.19 7.64 0.37 -5.00 113.62 111.17 1fjd n SER 89 Ca 0.08 -3.08 -0.21 0.00 1.01 0.00 0.00 58.87 56.67 1fjd n SER 89 Cb 0.33 -0.55 -0.01 0.00 -1.01 0.00 0.00 64.21 62.97 1fjd n SER 89 CO 0.00 0.00 0.00 -0.32 -3.01 0.00 0.00 175.04 171.71 1fjd s MET 90 N -2.87 2.50 0.00 1.43 0.00 -0.49 -4.92 119.30 114.95 1fjd s MET 90 Ca 0.42 -1.59 0.00 0.00 0.00 0.00 0.00 55.69 54.52 1fjd s MET 90 Cb 0.35 -2.41 0.00 0.00 0.00 0.00 0.00 34.83 32.76 1fjd s MET 90 CO 0.08 -0.36 0.00 1.33 0.00 0.00 0.00 175.02 176.07 1fjd n VAL 91 N -1.71 0.00 0.00 10.11 0.24 -1.26 -4.99 118.33 120.71 1fjd n VAL 91 Ca 0.05 0.00 0.00 0.00 -2.04 0.00 0.00 64.34 62.35 1fjd n VAL 91 Cb 0.62 0.00 0.00 0.00 -1.47 0.00 0.00 33.84 32.99 1fjd n VAL 91 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 1fjd n GLY 92 N 5.00 -0.13 0.37 7.63 0.00 -1.26 -4.55 105.19 112.26 1fjd n GLY 92 Ca 0.00 0.00 0.02 0.00 0.00 0.00 0.00 46.02 46.04 1fjd n GLY 92 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 1fjd h PRO 93 N 0.00 1.17 -0.57 1.61 0.10 -1.97 0.71 132.00 133.05 1fjd h PRO 93 Ca 0.00 -0.07 0.10 0.00 0.10 0.00 0.00 66.00 66.12 1fjd h PRO 93 Cb 0.00 -0.26 -0.07 0.00 0.10 0.00 0.00 31.00 30.76 1fjd h PRO 93 CO 0.00 0.77 0.16 0.35 0.10 0.00 0.00 178.00 179.38 1fjd h PHE 94 N 1.21 0.26 0.12 0.65 3.57 -1.91 -2.36 116.94 118.48 1fjd h PHE 94 Ca 0.41 0.03 -0.31 0.00 3.53 0.00 0.00 57.97 61.63 1fjd h PHE 94 Cb 0.09 -0.03 -0.01 0.00 2.79 0.00 0.00 35.95 38.79 1fjd h PHE 94 CO -0.00 0.03 -1.63 0.37 -2.23 0.00 0.00 178.31 174.84 1fjd h GLN 95 N 0.31 0.26 -0.19 1.11 4.15 -1.68 -3.24 115.11 115.84 1fjd h GLN 95 Ca 0.29 -0.45 0.02 0.00 0.77 0.00 0.00 58.65 59.28 1fjd h GLN 95 Cb 0.39 0.17 -0.03 0.00 0.21 0.00 0.00 27.48 28.21 1fjd h GLN 95 CO -0.34 1.21 -0.19 0.93 -1.93 0.00 0.00 178.83 178.52 1fjd h GLU 96 N -0.17 -0.10 0.63 1.69 5.08 0.56 0.20 114.58 122.46 1fjd h GLU 96 Ca -0.35 0.01 -0.02 0.00 -1.00 0.00 0.00 59.36 57.99 1fjd h GLU 96 Cb 1.87 0.02 -0.01 0.00 0.50 0.00 0.00 28.75 31.13 1fjd h GLU 96 CO 0.07 -0.07 -0.46 0.00 -1.00 0.00 0.00 179.01 177.55 1fjd h ALA 97 N -0.78 -1.20 -2.23 3.43 0.00 -1.63 -0.62 119.26 116.22 1fjd h ALA 97 Ca 0.03 -0.21 0.00 0.00 0.00 0.00 0.00 54.91 54.73 1fjd h ALA 97 Cb 0.19 0.63 0.00 0.00 0.00 0.00 0.00 17.79 18.61 1fjd h ALA 97 CO -0.23 -1.19 0.00 0.00 0.00 0.00 0.00 179.25 177.83 1fjd n ALA 98 N -2.72 -0.03 -0.54 0.00 0.00 -1.06 0.23 120.51 116.39 1fjd n ALA 98 Ca -0.13 0.00 0.44 0.00 0.00 0.00 0.00 53.44 53.75 1fjd n ALA 98 Cb 0.45 0.24 0.75 0.00 0.00 0.00 0.00 19.45 20.89 1fjd n ALA 98 CO 0.00 0.00 0.00 0.74 0.00 0.00 0.00 177.50 178.24 1fjd h PHE 99 N 0.00 0.16 0.15 0.00 -1.00 -0.68 0.49 116.94 116.06 1fjd h PHE 99 Ca 0.00 0.01 -0.24 0.00 2.81 0.00 0.00 57.97 60.55 1fjd h PHE 99 Cb 0.00 -0.04 0.03 0.00 3.61 0.00 0.00 35.95 39.55 1fjd h PHE 99 CO -0.17 -0.05 -1.02 0.00 -1.61 0.00 0.00 178.31 175.46 1fjd h ALA 100 N 1.28 -0.08 -2.23 2.45 0.00 0.88 -3.46 119.26 118.09 1fjd h ALA 100 Ca 0.81 -0.73 -0.47 0.00 0.00 0.00 0.00 54.91 54.51 1fjd h ALA 100 Cb 3.05 0.11 0.04 0.00 0.00 0.00 0.00 17.79 21.00 1fjd h ALA 100 CO -0.13 0.50 0.10 -0.48 0.00 0.00 0.00 179.25 179.23 1fjd s LEU 101 N -7.86 3.42 0.74 0.00 0.05 0.63 -5.03 118.68 110.63 1fjd s LEU 101 Ca -0.12 0.65 -0.13 0.00 0.05 0.00 0.00 54.13 54.59 1fjd s LEU 101 Cb 0.03 -3.52 0.05 0.00 -2.05 0.00 0.00 46.19 40.69 1fjd s LEU 101 CO 0.87 -0.88 1.12 -2.16 -0.55 0.00 0.00 176.35 174.76 1fjd s PRO 102 N -4.83 2.26 0.95 1.48 0.05 -1.26 -4.78 135.00 128.86 1fjd s PRO 102 Ca 0.51 1.40 -0.11 0.00 0.05 0.00 0.00 61.00 62.84 1fjd s PRO 102 Cb -0.10 -1.88 0.18 0.00 0.05 0.00 0.00 34.50 32.74 1fjd s PRO 102 CO 0.43 -1.67 0.40 0.28 0.05 0.00 0.00 177.00 176.49 1fjd n VAL 103 N -3.10 0.00 -1.77 -0.36 0.31 -1.26 -4.42 118.33 107.72 1fjd n VAL 103 Ca 0.11 0.00 0.08 0.00 -0.01 0.00 0.00 64.34 64.51 1fjd n VAL 103 Cb 0.52 -0.46 -0.02 0.00 -0.91 0.00 0.00 33.84 32.97 1fjd n VAL 103 CO 0.00 0.00 0.00 -1.20 -1.32 0.00 0.00 176.83 174.31 1fjd n SER 104 N -1.16 -4.13 0.00 4.52 7.64 0.52 -3.80 113.62 117.21 1fjd n SER 104 Ca 0.06 0.60 0.00 0.00 1.01 0.00 0.00 58.87 60.54 1fjd n SER 104 Cb 0.28 -1.68 0.00 0.00 -1.01 0.00 0.00 64.21 61.80 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 -1.98 0.68 5.06 0.23 0.00 -1.25 -1.39 105.19 106.55 1fjd n GLY 105 Ca 0.00 0.46 0.00 0.00 0.00 0.00 0.00 46.02 46.48 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 -3.57 117.12 113.90 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 1.17 0.00 0.00 6.12 5.68 -1.26 -4.63 116.55 123.63 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 1.17 -1.33 0.00 0.00 177.20 177.04 1fjd n LYS 108 N 0.00 0.00 0.34 0.11 0.00 -1.23 -5.02 118.16 112.35 1fjd n LYS 108 Ca 0.00 0.00 -0.13 0.00 0.00 0.00 0.00 58.31 58.18 1fjd n LYS 108 Cb 0.00 0.00 -0.06 0.00 0.00 0.00 0.00 35.03 34.97 1fjd n LYS 108 CO 0.00 0.00 0.00 -1.00 0.00 0.00 0.00 177.40 176.40 1fjd h PRO 109 N 0.00 -0.84 0.00 1.64 0.13 -1.91 -3.45 132.00 127.58 1fjd h PRO 109 Ca 0.00 0.06 0.00 0.00 -0.87 0.00 0.00 66.00 65.19 1fjd h PRO 109 Cb 0.00 0.19 0.00 0.00 0.13 0.00 0.00 31.00 31.32 1fjd h PRO 109 CO 0.00 -0.56 0.00 1.33 -0.23 0.00 0.00 178.00 178.54 1fjd n VAL 110 N -4.45 0.00 0.03 1.56 0.24 -1.25 -4.81 118.33 109.65 1fjd n VAL 110 Ca -0.11 0.00 0.01 0.00 -2.04 0.00 0.00 64.34 62.20 1fjd n VAL 110 Cb 0.34 0.00 -0.01 0.00 -1.47 0.00 0.00 33.84 32.70 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 -2.26 0.00 -2.54 6.34 3.01 -1.26 -4.82 117.46 115.92 1fjd n PHE 111 Ca 0.00 0.00 0.00 0.00 1.01 0.00 0.00 57.45 58.46 1fjd n PHE 111 Cb 0.00 -0.03 0.00 0.00 -0.01 0.00 0.00 39.48 39.44 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 -1.40 0.00 -4.03 4.37 5.66 -1.26 -5.08 114.28 112.53 1fjd n THR 112 Ca -0.00 0.00 -0.34 0.00 -3.05 0.00 0.00 64.05 60.65 1fjd n THR 112 Cb 0.05 -0.26 -0.10 0.00 -1.55 0.00 0.00 70.33 68.46 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 0.38 5.55 0.09 1.09 1.47 -1.26 -4.89 116.67 119.11 1fjd s ASP 113 Ca 0.00 0.06 -0.36 0.00 1.18 0.00 0.00 52.55 53.43 1fjd s ASP 113 Cb 0.00 -1.95 -0.17 0.00 -0.34 0.00 0.00 42.92 40.46 1fjd s ASP 113 CO 0.00 0.17 1.56 -0.65 0.68 0.00 0.00 175.17 176.93 1fjd h PRO 114 N 6.74 -0.92 -5.05 2.11 0.10 -1.85 -3.34 132.00 129.78 1fjd h PRO 114 Ca -0.36 0.06 -0.09 0.00 0.10 0.00 0.00 66.00 65.71 1fjd h PRO 114 Cb 1.17 0.21 0.02 0.00 0.10 0.00 0.00 31.00 32.50 1fjd h PRO 114 CO 0.69 -0.62 0.43 -0.35 0.10 0.00 0.00 178.00 178.25 1fjd n PRO 115 N -5.55 0.05 -3.99 1.05 -0.04 -0.93 -3.31 135.00 122.29 1fjd n PRO 115 Ca -0.11 -1.20 -0.30 0.00 -0.04 0.00 0.00 63.50 61.84 1fjd n PRO 115 Cb 0.45 -3.04 -0.05 0.00 -0.04 0.00 0.00 33.50 30.83 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 11.94 4.94 0.11 0.52 -7.23 0.40 -4.40 120.40 126.67 1fjd s VAL 116 Ca 0.61 -0.60 -0.08 0.00 -1.81 0.00 0.00 61.98 60.10 1fjd s VAL 116 Cb -0.01 -3.40 -0.06 0.00 0.56 0.00 0.00 36.38 33.47 1fjd s VAL 116 CO 0.17 0.12 0.40 -0.75 -0.31 0.00 0.00 175.10 174.73 1fjd s LYS 117 N -2.49 3.70 0.00 4.82 2.20 -1.25 -1.46 119.74 125.26 1fjd s LYS 117 Ca 0.32 0.07 0.00 0.00 -0.36 0.00 0.00 55.97 56.01 1fjd s LYS 117 Cb -0.12 -2.92 0.00 0.00 -1.51 0.00 0.00 37.83 33.28 1fjd s LYS 117 CO 0.25 0.51 0.00 0.25 -0.36 0.00 0.00 175.35 176.00 1fjd n THR 118 N 0.54 0.00 -2.65 3.43 -2.24 -1.22 -4.92 114.28 107.23 1fjd n THR 118 Ca -0.05 0.00 -0.10 0.00 -2.27 0.00 0.00 64.05 61.62 1fjd n THR 118 Cb 0.52 0.00 0.03 0.00 -2.10 0.00 0.00 70.33 68.78 1fjd n THR 118 CO 0.00 0.00 0.00 0.29 -0.57 0.00 0.00 175.07 174.79 1fjd n LYS 119 N -0.66 1.61 0.00 -0.78 5.02 -1.26 -4.85 118.16 117.24 1fjd n LYS 119 Ca 0.00 -3.49 0.00 0.00 -2.02 0.00 0.00 58.31 52.80 1fjd n LYS 119 Cb 0.00 -1.46 0.00 0.00 -0.02 0.00 0.00 35.03 33.55 1fjd n LYS 119 CO 0.00 0.00 0.00 0.34 -0.52 0.00 0.00 177.40 177.22 1fjd n PHE 120 N -0.22 0.00 -1.69 2.13 -0.00 -1.26 -5.16 117.46 111.26 1fjd n PHE 120 Ca 0.14 0.00 0.00 0.00 -0.00 0.00 0.00 57.45 57.59 1fjd n PHE 120 Cb 0.80 0.00 0.00 0.00 -0.00 0.00 0.00 39.48 40.28 1fjd n PHE 120 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.76 177.17 1fjd n GLY 121 N -0.22 0.10 3.75 7.13 0.00 -1.26 -4.96 105.19 109.72 1fjd n GLY 121 Ca 0.00 -1.35 -0.39 0.00 0.00 0.00 0.00 46.02 44.28 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 -3.27 3.62 0.03 1.61 2.02 -1.26 -3.41 117.35 116.68 1fjd s TYR 122 Ca 0.00 1.09 0.01 0.00 -0.37 0.00 0.00 57.07 57.81 1fjd s TYR 122 Cb 0.00 -2.60 -0.02 0.00 -0.40 0.00 0.00 41.96 38.94 1fjd s TYR 122 CO 0.00 0.27 -0.06 -3.38 -1.57 0.00 0.00 175.55 170.82 1fjd s HIS 123 N 0.16 0.48 -0.23 2.71 -3.43 -0.53 -2.26 115.29 112.19 1fjd s HIS 123 Ca 0.30 -0.41 -0.20 0.00 -0.80 0.00 0.00 55.06 53.95 1fjd s HIS 123 Cb -0.17 -0.30 -0.02 0.00 -1.43 0.00 0.00 32.58 30.66 1fjd s HIS 123 CO 0.15 -0.09 0.62 0.42 -2.00 0.00 0.00 174.74 173.83 1fjd s ILE 124 N -1.11 5.01 -0.28 -5.38 1.01 0.99 -0.46 121.20 120.98 1fjd s ILE 124 Ca -0.09 1.14 -0.10 0.00 0.00 0.00 0.00 60.65 61.59 1fjd s ILE 124 Cb -0.08 -3.93 -0.04 0.00 0.01 0.00 0.00 42.46 38.42 1fjd s ILE 124 CO -0.00 0.07 0.17 -0.63 0.00 0.00 0.00 174.94 174.55 1fjd s ILE 125 N 2.20 5.07 -0.28 2.92 1.01 -1.21 -2.60 121.20 128.31 1fjd s ILE 125 Ca 0.27 0.01 -0.01 0.00 0.00 0.00 0.00 60.65 60.92 1fjd s ILE 125 Cb -0.16 -3.44 0.04 0.00 0.01 0.00 0.00 42.46 38.91 1fjd s ILE 125 CO 0.09 0.22 -0.04 -0.04 0.00 0.00 0.00 174.94 175.18 1fjd s MET 126 N 1.72 2.58 0.13 2.79 -1.94 -0.75 -3.80 119.30 120.02 1fjd s MET 126 Ca 0.07 -1.16 -0.17 0.00 -1.71 0.00 0.00 55.69 52.72 1fjd s MET 126 Cb -0.16 -3.07 -0.07 0.00 2.01 0.00 0.00 34.83 33.53 1fjd s MET 126 CO 0.09 -0.53 0.58 0.08 -0.01 0.00 0.00 175.02 175.23 1fjd s VAL 127 N 1.27 4.78 -0.38 -6.03 1.01 -0.48 -0.56 120.40 120.00 1fjd s VAL 127 Ca -0.03 1.04 0.04 0.00 0.00 0.00 0.00 61.98 63.02 1fjd s VAL 127 Cb -0.18 -3.81 0.16 0.00 0.00 0.00 0.00 36.38 32.54 1fjd s VAL 127 CO -0.03 0.36 0.42 -0.70 0.00 0.00 0.00 175.10 175.16 1fjd s GLU 128 N -1.63 0.68 0.00 2.72 -6.30 0.30 0.20 118.70 114.67 1fjd s GLU 128 Ca 0.35 -0.80 0.00 0.00 -2.50 0.00 0.00 54.97 52.02 1fjd s GLU 128 Cb -0.17 -0.59 0.00 0.00 0.00 0.00 0.00 34.13 33.37 1fjd s GLU 128 CO 0.19 -1.20 0.00 0.41 0.02 0.00 0.00 175.26 174.68 1fjd n GLY 129 N 4.22 -0.21 1.03 -1.50 0.00 -1.26 -2.82 105.19 104.66 1fjd n GLY 129 Ca 0.12 -0.82 0.10 0.00 0.00 0.00 0.00 46.02 45.41 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 1.46 2.30 -0.50 1.61 1.74 -1.18 -1.69 116.66 120.40 1fjd n ARG 130 Ca 0.00 -2.02 0.00 0.00 -0.77 0.00 0.00 57.85 55.06 1fjd n ARG 130 Cb 0.00 -1.45 0.00 0.00 -1.02 0.00 0.00 32.46 29.99 1fjd n ARG 130 CO 0.00 0.00 0.00 1.63 -1.52 0.00 0.00 177.63 177.74