#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 5.11 0.05 1.61 0.01 -1.26 -5.02 113.70 114.20 1fjd s SER 29 Ca 0.00 -0.65 0.00 0.00 1.31 0.00 0.00 55.95 56.61 1fjd s SER 29 Cb 0.00 -0.74 0.00 0.00 0.21 0.00 0.00 66.02 65.49 1fjd s SER 29 CO 0.00 -0.50 0.00 0.61 0.41 0.00 0.00 173.24 173.76 1fjd n GLY 30 N -1.44 -2.20 0.00 3.44 0.00 -1.26 -4.67 105.19 99.06 1fjd n GLY 30 Ca 0.01 -1.48 0.00 0.00 0.00 0.00 0.00 46.02 44.55 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 -1.28 0.00 -3.12 1.61 -0.02 -1.26 -4.96 135.00 125.97 1fjd n PRO 31 Ca 0.00 0.15 -0.17 0.00 -2.02 0.00 0.00 63.50 61.46 1fjd n PRO 31 Cb 0.07 -1.11 0.02 0.00 -0.02 0.00 0.00 33.50 32.46 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 -0.94 -2.07 0.00 -0.52 0.00 -1.26 -4.97 118.16 108.40 1fjd n LYS 32 Ca 0.00 1.77 0.00 0.00 0.00 0.00 0.00 58.31 60.08 1fjd n LYS 32 Cb 0.00 -3.61 0.00 0.00 0.00 0.00 0.00 35.03 31.42 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 0.13 0.12 4.77 3.14 0.00 -1.26 -5.00 105.19 107.08 1fjd n GLY 33 Ca 0.01 0.34 0.00 0.00 0.00 0.00 0.00 46.02 46.37 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 -1.74 0.00 -0.02 0.00 -1.26 -5.07 105.19 97.09 1fjd n GLY 34 Ca 0.00 -1.57 0.00 0.00 0.00 0.00 0.00 46.02 44.45 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 -0.70 2.77 -0.02 0.00 -1.26 -5.10 105.19 100.87 1fjd n GLY 35 Ca 0.00 -1.01 -0.02 0.00 0.00 0.00 0.00 46.02 44.98 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 0.00 -4.86 -3.48 1.61 5.03 -1.26 -4.74 115.26 107.56 1fjd n ASN 36 Ca 0.00 1.24 -0.17 0.00 0.87 0.00 0.00 54.58 56.52 1fjd n ASN 36 Cb 0.00 -4.48 -0.12 0.00 -1.02 0.00 0.00 39.78 34.16 1fjd n ASN 36 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.26 175.43 1fjd s ALA 37 N -1.01 -0.42 0.23 5.41 0.00 -1.21 -3.90 121.76 120.85 1fjd s ALA 37 Ca -0.11 0.39 -0.11 0.00 0.00 0.00 0.00 51.96 52.13 1fjd s ALA 37 Cb 0.01 -1.37 -0.07 0.00 0.00 0.00 0.00 23.12 21.69 1fjd s ALA 37 CO 0.62 -1.19 0.58 0.14 0.00 0.00 0.00 175.76 175.90 1fjd s VAL 38 N 2.37 4.88 -0.88 0.00 -7.23 -0.87 -0.08 120.40 118.59 1fjd s VAL 38 Ca 0.08 0.60 -0.19 0.00 -1.81 0.00 0.00 61.98 60.65 1fjd s VAL 38 Cb -0.16 -3.63 0.12 0.00 0.56 0.00 0.00 36.38 33.28 1fjd s VAL 38 CO -0.13 -0.05 1.08 -0.75 -0.31 0.00 0.00 175.10 174.95 1fjd s LYS 39 N -2.73 3.51 0.12 4.82 2.36 -1.18 -2.51 119.74 124.14 1fjd s LYS 39 Ca 0.47 -1.63 -0.03 0.00 -2.55 0.00 0.00 55.97 52.23 1fjd s LYS 39 Cb -0.12 -4.79 -0.05 0.00 -1.05 0.00 0.00 37.83 31.82 1fjd s LYS 39 CO 0.20 -1.76 0.33 0.54 1.55 0.00 0.00 175.35 176.21 1fjd s VAL 40 N 2.83 5.22 0.08 4.02 0.11 -1.24 -0.97 120.40 130.46 1fjd s VAL 40 Ca 0.30 -0.08 0.06 0.00 -2.93 0.00 0.00 61.98 59.33 1fjd s VAL 40 Cb -0.07 -3.63 -0.03 0.00 -1.53 0.00 0.00 36.38 31.12 1fjd s VAL 40 CO -0.06 0.06 -0.16 -0.13 -3.33 0.00 0.00 175.10 171.48 1fjd s ARG 41 N -2.62 0.89 -0.05 1.54 0.52 -1.01 -2.13 118.95 116.09 1fjd s ARG 41 Ca 0.39 -1.00 0.01 0.00 -0.52 0.00 0.00 55.73 54.61 1fjd s ARG 41 Cb -0.12 -0.96 0.02 0.00 0.52 0.00 0.00 34.95 34.41 1fjd s ARG 41 CO 0.26 0.22 -0.05 -3.38 0.02 0.00 0.00 175.30 172.36 1fjd s HIS 42 N -1.25 0.81 -0.25 -0.53 -3.43 -1.24 -2.42 115.29 106.98 1fjd s HIS 42 Ca -0.00 -0.24 0.02 0.00 -0.80 0.00 0.00 55.06 54.04 1fjd s HIS 42 Cb -0.10 -0.71 0.05 0.00 -1.43 0.00 0.00 32.58 30.39 1fjd s HIS 42 CO 0.03 -0.21 -0.12 0.42 -2.00 0.00 0.00 174.74 172.87 1fjd s ILE 43 N 0.94 2.26 0.21 -5.38 1.01 -1.12 -1.76 121.20 117.37 1fjd s ILE 43 Ca -0.11 -1.44 -0.08 0.00 0.00 0.00 0.00 60.65 59.02 1fjd s ILE 43 Cb -0.14 -2.25 -0.07 0.00 0.01 0.00 0.00 42.46 40.02 1fjd s ILE 43 CO 0.00 0.09 0.50 -0.76 0.00 0.00 0.00 174.94 174.77 1fjd s LEU 44 N 1.16 4.19 -0.40 2.97 1.43 -1.26 -0.82 118.68 125.96 1fjd s LEU 44 Ca -0.05 0.80 0.07 0.00 -1.03 0.00 0.00 54.13 53.92 1fjd s LEU 44 Cb -0.18 -3.56 0.23 0.00 0.03 0.00 0.00 46.19 42.71 1fjd s LEU 44 CO -0.06 -0.05 0.51 0.00 0.23 0.00 0.00 176.35 176.98 1fjd n GLU 46 N 1.71 0.01 0.00 0.00 4.07 -1.26 0.29 120.64 125.45 1fjd n GLU 46 Ca 0.22 0.97 0.06 0.00 -0.06 0.00 0.00 57.16 58.35 1fjd n GLU 46 Cb 0.53 -2.36 0.02 0.00 -0.06 0.00 0.00 31.44 29.57 1fjd n GLU 46 CO 0.00 0.00 0.00 0.36 -0.06 0.00 0.00 177.13 177.43 1fjd n LYS 47 N -3.36 1.50 -1.13 5.31 2.85 -1.26 -4.96 118.16 117.11 1fjd n LYS 47 Ca 0.29 -0.86 -0.05 0.00 -1.05 0.00 0.00 58.31 56.64 1fjd n LYS 47 Cb 1.60 -1.17 -0.02 0.00 -0.65 0.00 0.00 35.03 34.80 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 0.11 -0.01 0.06 5.58 8.25 0.83 -4.77 115.22 125.27 1fjd n HIS 48 Ca 0.06 0.00 -0.14 0.00 -0.26 0.00 0.00 57.72 57.38 1fjd n HIS 48 Cb 0.26 -2.34 -0.14 0.00 1.12 0.00 0.00 29.99 28.90 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 0.20 0.91 -1.41 0.00 -1.93 -3.33 103.07 97.51 1fjd h GLY 49 Ca -0.11 -0.52 -0.16 0.00 0.00 0.00 0.00 47.33 46.55 1fjd h GLY 49 CO 0.16 0.46 -1.44 0.28 0.00 0.00 0.00 176.54 175.99 1fjd n LYS 50 N -3.39 0.62 -0.41 4.80 4.01 -1.26 -3.83 118.16 118.70 1fjd n LYS 50 Ca -0.13 0.19 0.35 0.00 -0.51 0.00 0.00 58.31 58.21 1fjd n LYS 50 Cb 1.02 -1.79 0.67 0.00 -0.51 0.00 0.00 35.03 34.42 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 0.31 0.04 -0.18 6.09 -1.82 2.94 117.51 124.90 1fjd h ILE 51 Ca -0.16 -0.05 -0.12 0.00 -1.37 0.00 0.00 64.86 63.17 1fjd h ILE 51 Cb 1.55 0.17 -0.00 0.00 0.47 0.00 0.00 36.82 39.00 1fjd h ILE 51 CO 0.04 0.02 -0.59 -0.03 -3.07 0.00 0.00 178.15 174.52 1fjd h MET 52 N 0.13 0.09 -0.53 2.19 4.05 -1.74 0.12 114.93 119.25 1fjd h MET 52 Ca 0.69 -0.16 0.15 0.00 -0.28 0.00 0.00 59.70 60.11 1fjd h MET 52 Cb 2.34 0.06 -0.02 0.00 -0.80 0.00 0.00 31.60 33.18 1fjd h MET 52 CO -0.20 1.08 0.40 1.49 0.23 0.00 0.00 176.91 179.91 1fjd h GLU 53 N -0.78 0.00 0.04 0.39 4.81 -0.28 2.14 114.58 120.90 1fjd h GLU 53 Ca -0.13 0.00 -0.23 0.00 -0.13 0.00 0.00 59.36 58.87 1fjd h GLU 53 Cb 1.29 0.00 -0.02 0.00 0.63 0.00 0.00 28.75 30.65 1fjd h GLU 53 CO -0.00 0.00 -1.05 0.00 -0.73 0.00 0.00 179.01 177.23 1fjd h ALA 54 N 1.70 0.31 0.07 2.92 0.00 0.51 -1.19 119.26 123.58 1fjd h ALA 54 Ca 0.25 -0.87 -0.15 0.00 0.00 0.00 0.00 54.91 54.14 1fjd h ALA 54 Cb 1.04 -0.10 0.02 0.00 0.00 0.00 0.00 17.79 18.75 1fjd h ALA 54 CO -0.00 1.11 -0.63 0.52 0.00 0.00 0.00 179.25 180.24 1fjd h MET 55 N 0.04 0.31 0.30 0.00 2.86 0.42 -3.03 114.93 115.83 1fjd h MET 55 Ca -0.05 -0.42 -0.01 0.00 -2.06 0.00 0.00 59.70 57.15 1fjd h MET 55 Cb 1.78 0.14 0.00 0.00 0.06 0.00 0.00 31.60 33.58 1fjd h MET 55 CO 0.15 1.15 -0.14 0.93 1.06 0.00 0.00 176.91 180.05 1fjd h GLU 56 N -0.33 -0.39 -0.49 1.72 5.08 0.26 -2.66 114.58 117.78 1fjd h GLU 56 Ca -0.10 0.03 0.05 0.00 -1.00 0.00 0.00 59.36 58.34 1fjd h GLU 56 Cb 1.42 0.09 -0.07 0.00 0.50 0.00 0.00 28.75 30.69 1fjd h GLU 56 CO 0.12 -0.26 -0.43 0.87 -1.00 0.00 0.00 179.01 178.31 1fjd h LYS 57 N -0.86 -0.18 -1.06 2.33 1.79 -1.37 1.32 116.57 118.54 1fjd h LYS 57 Ca -0.04 0.01 0.32 0.00 -2.18 0.00 0.00 60.65 58.76 1fjd h LYS 57 Cb 0.31 0.04 -0.13 0.00 -1.58 0.00 0.00 32.23 30.87 1fjd h LYS 57 CO 0.07 -0.12 0.64 -0.07 -1.08 0.00 0.00 179.45 178.89 1fjd h LEU 58 N -0.18 0.48 0.00 2.94 4.07 -1.66 0.13 115.31 121.10 1fjd h LEU 58 Ca 0.08 0.16 0.00 0.00 0.08 0.00 0.00 57.88 58.20 1fjd h LEU 58 Cb 0.40 0.10 0.00 0.00 1.08 0.00 0.00 40.66 42.23 1fjd h LEU 58 CO -0.56 -0.07 0.00 0.29 -1.08 0.00 0.00 178.44 177.03 1fjd n LYS 59 N -4.89 0.00 -0.61 1.13 5.02 0.35 -3.67 118.16 115.49 1fjd n LYS 59 Ca 0.31 0.43 0.48 0.00 -2.02 0.00 0.00 58.31 57.50 1fjd n LYS 59 Cb 1.00 -1.01 0.73 0.00 -0.02 0.00 0.00 35.03 35.73 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 -1.78 0.00 0.00 4.39 3.41 0.36 -4.66 113.62 115.34 1fjd n SER 60 Ca 0.00 0.92 0.00 0.00 -0.26 0.00 0.00 58.87 59.53 1fjd n SER 60 Cb 0.00 -0.44 0.00 0.00 -0.26 0.00 0.00 64.21 63.51 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 -1.86 1.56 0.00 5.00 0.00 0.29 -5.06 105.19 105.12 1fjd n GLY 61 Ca 0.40 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.42 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 -0.47 3.49 -2.28 1.61 1.56 -0.15 -4.94 117.12 115.94 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 1.02 4.29 -0.04 2.12 0.52 -1.26 -4.86 118.95 120.74 1fjd s ARG 63 Ca 0.00 1.90 0.11 0.00 -0.52 0.00 0.00 55.73 57.21 1fjd s ARG 63 Cb 0.00 -3.59 -0.23 0.00 0.52 0.00 0.00 34.95 31.65 1fjd s ARG 63 CO 0.00 -0.56 0.66 0.74 0.02 0.00 0.00 175.30 176.16 1fjd h PHE 64 N 7.82 0.04 0.07 -0.53 0.04 -1.93 -3.25 116.94 119.20 1fjd h PHE 64 Ca -0.37 -0.03 -0.33 0.00 2.80 0.00 0.00 57.97 60.04 1fjd h PHE 64 Cb 1.17 -0.00 -0.03 0.00 2.20 0.00 0.00 35.95 39.29 1fjd h PHE 64 CO 0.75 1.06 -1.89 -1.71 -0.60 0.00 0.00 178.31 175.93 1fjd n ASN 65 N -3.09 1.55 -0.05 2.17 2.85 -1.26 -2.79 115.26 114.64 1fjd n ASN 65 Ca -0.18 0.29 -0.12 0.00 -0.11 0.00 0.00 54.58 54.47 1fjd n ASN 65 Cb 1.05 -0.48 -0.06 0.00 1.24 0.00 0.00 39.78 41.53 1fjd n ASN 65 CO 0.00 0.00 0.00 -0.33 -2.11 0.00 0.00 177.26 174.82 1fjd h GLU 66 N 0.04 0.29 0.34 1.20 4.39 -1.97 0.53 114.58 119.40 1fjd h GLU 66 Ca -0.37 -0.10 -0.02 0.00 0.34 0.00 0.00 59.36 59.21 1fjd h GLU 66 Cb 2.03 -0.02 0.00 0.00 -0.10 0.00 0.00 28.75 30.66 1fjd h GLU 66 CO 0.08 0.53 -0.16 -0.39 -1.16 0.00 0.00 179.01 177.91 1fjd h VAL 67 N 0.03 0.68 -0.90 3.13 -1.51 -1.73 -1.46 116.25 114.48 1fjd h VAL 67 Ca 0.04 -0.27 0.19 0.00 -1.23 0.00 0.00 66.70 65.44 1fjd h VAL 67 Cb 0.40 0.83 -0.07 0.00 -2.13 0.00 0.00 31.29 30.32 1fjd h VAL 67 CO 0.01 0.05 0.59 0.00 -1.23 0.00 0.00 177.57 176.99 1fjd h ALA 68 N 0.02 2.08 -3.00 5.19 0.00 -1.46 0.85 119.26 122.94 1fjd h ALA 68 Ca -0.05 0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.89 1fjd h ALA 68 Cb 0.44 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.17 1fjd h ALA 68 CO 0.08 -0.36 0.00 0.00 0.00 0.00 0.00 179.25 178.97 1fjd n ALA 69 N -2.48 0.00 -0.04 0.00 0.00 0.18 -3.37 120.51 114.80 1fjd n ALA 69 Ca 0.19 0.00 -0.21 0.00 0.00 0.00 0.00 53.44 53.42 1fjd n ALA 69 Cb 0.63 0.10 -0.13 0.00 0.00 0.00 0.00 19.45 20.05 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 -0.68 0.70 -0.71 0.00 1.13 -0.93 -4.13 117.38 112.77 1fjd n GLN 70 Ca 0.00 0.31 0.53 0.00 -1.94 0.00 0.00 57.00 55.90 1fjd n GLN 70 Cb 0.00 -1.68 0.82 0.00 0.11 0.00 0.00 30.24 29.49 1fjd n GLN 70 CO 0.00 0.00 0.00 1.88 -1.44 0.00 0.00 177.06 177.50 1fjd h TYR 71 N -0.19 0.00 -3.04 1.08 -1.99 0.55 -2.69 116.97 110.70 1fjd h TYR 71 Ca -0.45 0.00 -0.69 0.00 2.00 0.00 0.00 58.73 59.59 1fjd h TYR 71 Cb 1.86 0.00 -0.19 0.00 2.00 0.00 0.00 36.73 40.40 1fjd h TYR 71 CO 0.07 0.00 0.12 0.45 -0.00 0.00 0.00 178.16 178.80 1fjd s SER 72 N -3.87 6.20 -0.08 3.88 0.15 -1.14 -4.10 113.70 114.75 1fjd s SER 72 Ca -0.05 -1.17 -0.03 0.00 0.70 0.00 0.00 55.95 55.40 1fjd s SER 72 Cb 0.27 -2.31 -0.11 0.00 -1.71 0.00 0.00 66.02 62.17 1fjd s SER 72 CO 0.89 -1.04 1.83 -1.84 1.20 0.00 0.00 173.24 174.28 1fjd n GLU 73 N 6.36 0.93 0.00 5.44 -0.00 0.24 -4.10 120.64 129.51 1fjd n GLU 73 Ca -0.08 -0.51 0.00 0.00 -0.00 0.00 0.00 57.16 56.57 1fjd n GLU 73 Cb 0.44 -1.78 0.00 0.00 -0.00 0.00 0.00 31.44 30.10 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 2.97 0.00 -0.75 -1.84 2.03 -1.26 -4.88 116.55 112.82 1fjd n ASP 74 Ca 0.20 0.00 0.09 0.00 0.52 0.00 0.00 54.79 55.60 1fjd n ASP 74 Cb 0.36 0.00 0.24 0.00 -0.72 0.00 0.00 41.12 41.00 1fjd n ASP 74 CO 0.00 0.00 0.00 1.17 -1.92 0.00 0.00 177.20 176.45 1fjd n LYS 75 N 0.00 2.61 -1.17 -0.67 0.00 -1.26 -5.08 118.16 112.58 1fjd n LYS 75 Ca 0.00 -2.80 0.13 0.00 0.00 0.00 0.00 58.31 55.64 1fjd n LYS 75 Cb 0.00 -1.78 -0.05 0.00 0.00 0.00 0.00 35.03 33.20 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 -0.69 -3.28 0.00 3.14 0.00 -1.22 -4.04 120.51 114.42 1fjd n ALA 76 Ca 0.21 0.49 0.00 0.00 0.00 0.00 0.00 53.44 54.13 1fjd n ALA 76 Cb 0.85 -1.17 0.00 0.00 0.00 0.00 0.00 19.45 19.13 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 -3.60 2.73 0.00 0.00 1.85 -0.72 -3.65 116.66 113.26 1fjd n ARG 77 Ca -0.03 0.00 0.00 0.00 -1.00 0.00 0.00 57.85 56.82 1fjd n ARG 77 Cb 0.63 -0.91 0.00 0.00 -1.05 0.00 0.00 32.46 31.13 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 -1.61 0.00 0.31 2.89 6.02 -1.26 -0.35 117.38 123.38 1fjd n GLN 78 Ca 0.00 0.01 0.20 0.00 -0.01 0.00 0.00 57.00 57.21 1fjd n GLN 78 Cb 0.31 -0.21 1.09 0.00 1.02 0.00 0.00 30.24 32.45 1fjd n GLN 78 CO 0.00 0.00 0.00 0.78 -1.01 0.00 0.00 177.06 176.83 1fjd h GLY 79 N 0.00 0.00 0.62 1.08 0.00 -1.83 -0.55 103.07 102.39 1fjd h GLY 79 Ca 0.00 0.00 -0.36 0.00 0.00 0.00 0.00 47.33 46.97 1fjd h GLY 79 CO 0.00 0.00 -1.98 0.61 0.00 0.00 0.00 176.54 175.17 1fjd n GLY 80 N -1.13 -0.56 1.35 4.60 0.00 -1.26 -5.02 105.19 103.17 1fjd n GLY 80 Ca -0.03 -0.29 0.00 0.00 0.00 0.00 0.00 46.02 45.71 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 -3.50 -2.66 -0.30 1.61 -0.08 0.52 -4.53 116.55 107.61 1fjd n ASP 81 Ca -0.32 0.25 0.34 0.00 -1.51 0.00 0.00 54.79 53.55 1fjd n ASP 81 Cb 1.05 -0.59 0.59 0.00 2.34 0.00 0.00 41.12 44.51 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 2.52 0.00 0.00 -2.67 -0.00 -1.62 -3.46 115.31 110.07 1fjd h LEU 82 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 57.88 57.88 1fjd h LEU 82 Cb 0.20 0.00 0.00 0.00 -0.00 0.00 0.00 40.66 40.86 1fjd h LEU 82 CO 0.00 0.00 0.00 0.61 -0.00 0.00 0.00 178.44 179.05 1fjd n GLY 83 N -1.74 0.01 3.70 0.83 0.00 -1.21 -4.92 105.19 101.86 1fjd n GLY 83 Ca 0.26 -1.87 -0.43 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 0.04 2.27 -3.73 1.61 5.03 -1.26 -3.84 117.44 117.55 1fjd n TRP 84 Ca 0.00 0.55 -0.14 0.00 3.03 0.00 0.00 57.50 60.94 1fjd n TRP 84 Cb 0.00 -2.42 -0.14 0.00 -1.03 0.00 0.00 31.31 27.72 1fjd n TRP 84 CO 0.00 0.00 0.00 -1.64 -0.03 0.00 0.00 177.69 176.02 1fjd s MET 85 N -1.80 0.10 0.09 -0.99 -1.94 -1.04 -4.98 119.30 108.74 1fjd s MET 85 Ca 0.56 0.42 0.04 0.00 -1.71 0.00 0.00 55.69 55.00 1fjd s MET 85 Cb -0.57 -0.18 -0.04 0.00 2.01 0.00 0.00 34.83 36.05 1fjd s MET 85 CO 0.62 -0.18 0.03 0.95 -0.01 0.00 0.00 175.02 176.43 1fjd s THR 86 N 1.33 4.23 0.58 2.05 -4.23 -1.26 -2.06 115.64 116.28 1fjd s THR 86 Ca -0.08 -0.90 0.36 0.00 -1.18 0.00 0.00 61.69 59.89 1fjd s THR 86 Cb -0.11 -3.03 0.53 0.00 1.34 0.00 0.00 72.50 71.23 1fjd s THR 86 CO -0.06 0.12 1.55 -0.09 -0.54 0.00 0.00 174.62 175.59 1fjd h ARG 87 N 3.36 0.00 -0.06 3.99 1.12 -1.85 1.86 114.38 122.80 1fjd h ARG 87 Ca -0.47 0.00 -0.10 0.00 -1.11 0.00 0.00 59.98 58.30 1fjd h ARG 87 Cb 1.16 0.00 -0.01 0.00 -0.01 0.00 0.00 29.97 31.11 1fjd h ARG 87 CO 0.62 0.00 -0.44 0.78 -3.11 0.00 0.00 179.97 177.83 1fjd h GLY 88 N 0.00 0.14 -7.52 2.80 0.00 -1.92 -3.37 103.07 93.20 1fjd h GLY 88 Ca 0.61 -0.13 -0.69 0.00 0.00 0.00 0.00 47.33 47.12 1fjd h GLY 88 CO -0.01 0.12 -0.42 -0.56 0.00 0.00 0.00 176.54 175.67 1fjd s SER 89 N -6.89 5.15 0.00 0.19 0.01 0.63 -5.02 113.70 107.77 1fjd s SER 89 Ca -0.03 -2.73 0.00 0.00 1.31 0.00 0.00 55.95 54.50 1fjd s SER 89 Cb 0.14 -1.83 0.00 0.00 0.21 0.00 0.00 66.02 64.54 1fjd s SER 89 CO 0.76 -0.38 0.00 0.23 0.41 0.00 0.00 173.24 174.25 1fjd n MET 90 N 3.64 -0.91 -4.39 12.44 2.00 -1.26 -4.15 117.12 124.49 1fjd n MET 90 Ca 0.06 0.00 -0.20 0.00 0.00 0.00 0.00 57.70 57.56 1fjd n MET 90 Cb 0.38 0.00 -0.10 0.00 0.00 0.00 0.00 33.22 33.50 1fjd n MET 90 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 175.97 176.51 1fjd s VAL 91 N -3.00 1.72 0.11 2.03 0.11 -1.26 -4.96 120.40 115.15 1fjd s VAL 91 Ca 0.00 -2.18 -0.22 0.00 -2.93 0.00 0.00 61.98 56.65 1fjd s VAL 91 Cb 0.00 -2.27 -0.05 0.00 -1.53 0.00 0.00 36.38 32.53 1fjd s VAL 91 CO 0.00 -0.43 1.29 0.61 -3.33 0.00 0.00 175.10 173.24 1fjd n GLY 92 N -0.50 -2.44 0.00 6.54 0.00 -1.26 -0.57 105.19 106.96 1fjd n GLY 92 Ca -0.06 0.96 0.00 0.00 0.00 0.00 0.00 46.02 46.92 1fjd n GLY 92 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 1fjd n PRO 93 N -4.67 0.00 -0.36 1.61 -0.01 -1.26 0.77 135.00 131.08 1fjd n PRO 93 Ca 0.01 0.49 0.33 0.00 -0.01 0.00 0.00 63.50 64.32 1fjd n PRO 93 Cb 0.19 -1.41 0.60 0.00 -0.01 0.00 0.00 33.50 32.87 1fjd n PRO 93 CO 0.00 0.00 0.00 0.74 -0.01 0.00 0.00 175.50 176.23 1fjd h PHE 94 N 0.00 0.76 0.18 6.00 -1.00 -1.90 0.48 116.94 121.47 1fjd h PHE 94 Ca 0.00 0.04 -0.30 0.00 2.81 0.00 0.00 57.97 60.52 1fjd h PHE 94 Cb 0.00 -0.18 0.03 0.00 3.61 0.00 0.00 35.95 39.42 1fjd h PHE 94 CO 0.05 -0.41 -1.29 1.96 -1.61 0.00 0.00 178.31 177.00 1fjd h GLN 95 N 0.02 0.55 -0.04 1.51 4.20 -0.59 -2.71 115.11 118.06 1fjd h GLN 95 Ca 0.85 -0.84 -0.14 0.00 0.06 0.00 0.00 58.65 58.58 1fjd h GLN 95 Cb 2.34 0.30 -0.01 0.00 0.30 0.00 0.00 27.48 30.40 1fjd h GLN 95 CO -0.69 1.39 -0.62 1.05 -0.67 0.00 0.00 178.83 179.29 1fjd h GLU 96 N 0.14 0.15 0.00 1.46 -0.00 0.45 -1.45 114.58 115.33 1fjd h GLU 96 Ca -0.21 -0.11 0.00 0.00 -0.00 0.00 0.00 59.36 59.04 1fjd h GLU 96 Cb 1.99 0.02 0.00 0.00 -0.00 0.00 0.00 28.75 30.75 1fjd h GLU 96 CO 0.24 0.72 0.00 0.00 -0.00 0.00 0.00 179.01 179.98 1fjd n ALA 97 N -2.45 0.00 -0.46 1.06 0.00 0.12 -3.88 120.51 114.91 1fjd n ALA 97 Ca -0.02 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.42 1fjd n ALA 97 Cb 0.62 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.07 1fjd n ALA 97 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1fjd n ALA 98 N -1.71 -0.10 -0.32 0.00 0.00 -1.05 0.25 120.51 117.59 1fjd n ALA 98 Ca 0.00 0.00 -0.05 0.00 0.00 0.00 0.00 53.44 53.39 1fjd n ALA 98 Cb 0.00 0.25 -0.01 0.00 0.00 0.00 0.00 19.45 19.69 1fjd n ALA 98 CO 0.00 0.00 0.00 0.35 0.00 0.00 0.00 177.50 177.85 1fjd h PHE 99 N 0.00 -1.28 0.00 0.00 3.57 -1.52 2.14 116.94 119.85 1fjd h PHE 99 Ca 0.00 0.10 0.00 0.00 3.53 0.00 0.00 57.97 61.60 1fjd h PHE 99 Cb 0.00 0.68 0.00 0.00 2.79 0.00 0.00 35.95 39.42 1fjd h PHE 99 CO -0.28 -0.40 0.00 0.00 -2.23 0.00 0.00 178.31 175.39 1fjd n ALA 100 N -3.30 1.25 -2.82 2.41 0.00 -0.55 -4.63 120.51 112.87 1fjd n ALA 100 Ca 0.06 -0.02 -0.31 0.00 0.00 0.00 0.00 53.44 53.17 1fjd n ALA 100 Cb 0.36 -1.08 -0.06 0.00 0.00 0.00 0.00 19.45 18.67 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 -2.95 3.97 0.51 0.00 1.43 0.72 -4.98 118.68 117.37 1fjd s LEU 101 Ca 0.03 0.07 -0.22 0.00 -1.03 0.00 0.00 54.13 52.98 1fjd s LEU 101 Cb 0.03 -2.63 -0.06 0.00 0.03 0.00 0.00 46.19 43.57 1fjd s LEU 101 CO 0.09 0.17 1.29 -2.16 0.23 0.00 0.00 176.35 175.97 1fjd s PRO 102 N -2.43 3.42 0.46 1.29 0.05 -1.26 -4.88 135.00 131.65 1fjd s PRO 102 Ca 0.31 2.07 -0.20 0.00 0.05 0.00 0.00 61.00 63.23 1fjd s PRO 102 Cb -0.12 -2.35 -0.13 0.00 0.05 0.00 0.00 34.50 31.95 1fjd s PRO 102 CO 0.24 -0.92 0.30 0.28 0.05 0.00 0.00 177.00 176.96 1fjd n VAL 103 N -0.76 1.27 0.00 -0.36 0.31 -1.26 -4.56 118.33 112.97 1fjd n VAL 103 Ca 0.09 -0.50 0.00 0.00 -0.01 0.00 0.00 64.34 63.92 1fjd n VAL 103 Cb 0.46 -0.34 0.00 0.00 -0.91 0.00 0.00 33.84 33.05 1fjd n VAL 103 CO 0.00 0.00 0.00 -1.54 -1.32 0.00 0.00 176.83 173.97 1fjd n SER 104 N 1.60 0.00 0.00 4.52 3.41 0.91 -4.39 113.62 119.67 1fjd n SER 104 Ca 0.11 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.72 1fjd n SER 104 Cb 0.43 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.38 1fjd n SER 104 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1fjd n GLY 105 N 0.00 2.69 2.27 5.00 0.00 -1.25 -3.78 105.19 110.12 1fjd n GLY 105 Ca 0.00 -1.89 -0.07 0.00 0.00 0.00 0.00 46.02 44.06 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 0.69 -0.63 -3.21 1.61 0.00 -1.26 -4.03 117.12 110.30 1fjd n MET 106 Ca 0.00 0.69 -0.08 0.00 -0.00 0.00 0.00 57.70 58.31 1fjd n MET 106 Cb 0.00 -4.50 0.02 0.00 0.00 0.00 0.00 33.22 28.74 1fjd n MET 106 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 175.97 172.50 1fjd n ASP 107 N 0.44 -7.10 0.01 6.12 2.03 -1.26 -4.85 116.55 111.94 1fjd n ASP 107 Ca -0.07 -0.38 0.00 0.00 0.52 0.00 0.00 54.79 54.86 1fjd n ASP 107 Cb 0.26 -4.89 0.00 0.00 -0.72 0.00 0.00 41.12 35.77 1fjd n ASP 107 CO 0.00 0.00 0.00 1.17 -1.92 0.00 0.00 177.20 176.45 1fjd n LYS 108 N -2.41 0.00 0.00 -0.67 4.81 -1.26 -5.06 118.16 113.57 1fjd n LYS 108 Ca -0.05 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.39 1fjd n LYS 108 Cb 0.55 0.00 0.00 0.00 0.02 0.00 0.00 35.03 35.60 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 -2.53 1.79 0.00 1.64 -0.04 -1.26 -4.82 135.00 129.77 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 -0.25 0.00 0.00 0.52 3.14 -1.26 -4.81 118.33 115.67 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 0.00 0.00 0.00 1.45 3.01 -1.26 -5.09 117.46 115.57 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 0.11 0.00 0.00 -0.01 0.00 0.00 39.48 39.58 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 -2.25 0.00 -4.44 4.37 5.66 -1.26 -4.98 114.28 111.38 1fjd n THR 112 Ca 0.00 0.00 -0.32 0.00 -3.05 0.00 0.00 64.05 60.68 1fjd n THR 112 Cb 0.23 0.00 -0.10 0.00 -1.55 0.00 0.00 70.33 68.90 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 -1.70 4.61 0.07 1.09 1.01 -1.26 -4.99 116.67 115.50 1fjd s ASP 113 Ca 0.00 -0.16 -0.30 0.00 0.71 0.00 0.00 52.55 52.80 1fjd s ASP 113 Cb 0.00 -1.06 -0.18 0.00 1.01 0.00 0.00 42.92 42.69 1fjd s ASP 113 CO 0.00 0.27 1.62 -0.65 0.21 0.00 0.00 175.17 176.63 1fjd h PRO 114 N 4.44 -0.64 -4.76 8.23 0.11 -1.91 -3.33 132.00 134.15 1fjd h PRO 114 Ca -0.48 0.04 -0.58 0.00 0.11 0.00 0.00 66.00 65.09 1fjd h PRO 114 Cb 1.17 0.15 0.11 0.00 0.11 0.00 0.00 31.00 32.53 1fjd h PRO 114 CO 0.54 -0.42 1.67 -2.30 -0.21 0.00 0.00 178.00 177.28 1fjd n PRO 115 N -5.37 0.51 -3.36 1.05 -0.02 -1.25 -3.08 135.00 123.48 1fjd n PRO 115 Ca -0.12 -1.25 -0.32 0.00 -2.02 0.00 0.00 63.50 59.80 1fjd n PRO 115 Cb 0.28 -2.60 -0.05 0.00 -0.02 0.00 0.00 33.50 31.11 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 6.21 4.90 -0.30 -1.45 -7.23 -0.70 -4.62 120.40 117.21 1fjd s VAL 116 Ca 0.62 0.51 -0.03 0.00 -1.81 0.00 0.00 61.98 61.26 1fjd s VAL 116 Cb 0.14 -3.63 0.04 0.00 0.56 0.00 0.00 36.38 33.49 1fjd s VAL 116 CO 0.25 -0.12 0.02 -0.75 -0.31 0.00 0.00 175.10 174.20 1fjd s LYS 117 N -2.92 2.62 -0.74 4.82 2.20 -1.25 -0.31 119.74 124.16 1fjd s LYS 117 Ca 0.48 -1.15 0.02 0.00 -0.36 0.00 0.00 55.97 54.96 1fjd s LYS 117 Cb -0.11 -3.23 0.35 0.00 -1.51 0.00 0.00 37.83 33.33 1fjd s LYS 117 CO 0.22 -0.57 1.45 0.25 -0.36 0.00 0.00 175.35 176.34 1fjd n THR 118 N 4.70 3.95 -2.75 3.43 -2.24 -1.25 -4.82 114.28 115.30 1fjd n THR 118 Ca -0.14 -5.33 -0.09 0.00 -2.27 0.00 0.00 64.05 56.22 1fjd n THR 118 Cb 0.45 -1.39 0.05 0.00 -2.10 0.00 0.00 70.33 67.34 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 -0.30 -3.44 0.00 -0.78 4.81 -1.26 -4.83 118.16 112.36 1fjd n LYS 119 Ca 0.42 0.46 0.00 0.00 -0.87 0.00 0.00 58.31 58.32 1fjd n LYS 119 Cb 0.37 -4.29 0.00 0.00 0.02 0.00 0.00 35.03 31.13 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 -2.67 -0.63 -3.57 5.64 -0.00 -1.26 -5.17 117.46 109.80 1fjd n PHE 120 Ca -0.15 0.00 -0.04 0.00 -0.00 0.00 0.00 57.45 57.26 1fjd n PHE 120 Cb 0.59 0.13 0.02 0.00 -0.00 0.00 0.00 39.48 40.21 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 -1.49 1.19 3.44 7.13 0.00 -1.26 -5.04 105.19 109.17 1fjd n GLY 121 Ca 0.00 -1.12 -0.44 0.00 0.00 0.00 0.00 46.02 44.46 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 -4.43 3.03 -0.01 1.61 1.51 -1.24 -3.79 117.35 114.02 1fjd s TYR 122 Ca 0.11 -1.20 -0.14 0.00 -1.01 0.00 0.00 57.07 54.83 1fjd s TYR 122 Cb -0.02 -4.25 -0.05 0.00 -0.11 0.00 0.00 41.96 37.52 1fjd s TYR 122 CO 0.06 -1.50 0.39 -3.38 -1.11 0.00 0.00 175.55 170.01 1fjd s HIS 123 N 2.91 3.71 -0.34 2.71 -3.43 0.57 -2.85 115.29 118.57 1fjd s HIS 123 Ca 0.29 0.95 -0.22 0.00 -0.80 0.00 0.00 55.06 55.28 1fjd s HIS 123 Cb -0.09 -2.27 0.00 0.00 -1.43 0.00 0.00 32.58 28.80 1fjd s HIS 123 CO -0.04 0.63 0.72 0.42 -2.00 0.00 0.00 174.74 174.47 1fjd s ILE 124 N -1.01 4.82 0.04 -5.38 1.01 0.00 -1.72 121.20 118.96 1fjd s ILE 124 Ca 0.23 0.84 -0.19 0.00 0.00 0.00 0.00 60.65 61.53 1fjd s ILE 124 Cb -0.16 -4.13 -0.06 0.00 0.01 0.00 0.00 42.46 38.12 1fjd s ILE 124 CO 0.12 -0.32 0.55 -0.63 0.00 0.00 0.00 174.94 174.66 1fjd s ILE 125 N 2.88 4.83 -0.36 2.92 1.01 -1.22 -2.78 121.20 128.48 1fjd s ILE 125 Ca 0.28 1.16 0.00 0.00 0.00 0.00 0.00 60.65 62.10 1fjd s ILE 125 Cb -0.14 -3.88 0.12 0.00 0.01 0.00 0.00 42.46 38.57 1fjd s ILE 125 CO 0.15 0.52 0.17 -0.32 0.00 0.00 0.00 174.94 175.46 1fjd s MET 126 N -0.85 0.86 -0.36 2.79 -2.45 -1.02 -3.91 119.30 114.37 1fjd s MET 126 Ca 0.29 -1.42 -0.22 0.00 -1.25 0.00 0.00 55.69 53.09 1fjd s MET 126 Cb -0.19 -1.95 0.01 0.00 1.25 0.00 0.00 34.83 33.94 1fjd s MET 126 CO 0.18 -1.09 0.70 0.54 1.05 0.00 0.00 175.02 176.40 1fjd s VAL 127 N 1.10 4.82 -0.26 10.11 0.11 -1.25 -2.39 120.40 132.64 1fjd s VAL 127 Ca 0.14 0.73 -0.01 0.00 -2.93 0.00 0.00 61.98 59.91 1fjd s VAL 127 Cb -0.21 -4.13 0.14 0.00 -1.53 0.00 0.00 36.38 30.65 1fjd s VAL 127 CO -0.12 -0.36 0.37 -0.70 -3.33 0.00 0.00 175.10 170.96 1fjd s GLU 128 N 2.87 0.35 0.00 1.54 2.56 -0.14 0.31 118.70 126.19 1fjd s GLU 128 Ca 0.27 0.32 0.00 0.00 0.00 0.00 0.00 54.97 55.57 1fjd s GLU 128 Cb -0.14 -0.50 0.00 0.00 2.00 0.00 0.00 34.13 35.49 1fjd s GLU 128 CO 0.15 -0.80 0.00 0.41 -0.56 0.00 0.00 175.26 174.47 1fjd n GLY 129 N 5.35 2.01 2.66 -1.50 0.00 -1.26 -3.09 105.19 109.36 1fjd n GLY 129 Ca -0.02 -0.27 -0.05 0.00 0.00 0.00 0.00 46.02 45.68 1fjd n GLY 129 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 173.32 171.19 1fjd n ARG 130 N 0.00 -1.81 -0.16 1.61 0.63 -0.71 -4.82 116.66 111.40 1fjd n ARG 130 Ca 0.00 0.59 0.00 0.00 -0.92 0.00 0.00 57.85 57.52 1fjd n ARG 130 Cb 0.00 -4.77 0.00 0.00 0.45 0.00 0.00 32.46 28.14 1fjd n ARG 130 CO 0.00 0.00 0.00 1.17 -2.51 0.00 0.00 177.63 176.29