#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3fek s ASN 2 N 0.00 4.82 0.00 2.55 3.84 -1.26 -4.97 114.94 119.93 3fek s ASN 2 Ca 0.00 -0.81 0.29 0.00 0.21 0.00 0.00 52.86 52.55 3fek s ASN 2 Cb 0.00 -1.79 1.35 0.00 -0.55 0.00 0.00 41.25 40.26 3fek s ASN 2 CO 0.00 -0.18 1.95 0.49 -2.79 0.00 0.00 177.10 176.58 3fek n PHE 3 N 4.78 0.00 -1.75 0.43 3.01 -1.26 -4.93 117.46 117.74 3fek n PHE 3 Ca -0.15 0.00 -0.42 0.00 1.01 0.00 0.00 57.45 57.89 3fek n PHE 3 Cb 0.47 -0.29 -0.00 0.00 -0.01 0.00 0.00 39.48 39.65 3fek n PHE 3 CO 0.00 0.00 0.00 0.43 1.01 0.00 0.00 176.76 178.20 3fek n SER 4 N -1.25 3.47 0.00 4.37 7.64 -1.26 -4.69 113.62 121.90 3fek n SER 4 Ca 0.13 1.21 0.00 0.00 1.01 0.00 0.00 58.87 61.22 3fek n SER 4 Cb 0.27 -1.57 0.00 0.00 -1.01 0.00 0.00 64.21 61.90 3fek n SER 4 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 3fek n GLY 5 N 0.75 -0.12 3.32 0.23 0.00 -0.23 -4.95 105.19 104.19 3fek n GLY 5 Ca 0.03 -1.43 -0.36 0.00 0.00 0.00 0.00 46.02 44.26 3fek n GLY 5 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 3fek s ASN 6 N 0.00 4.84 -0.18 1.61 0.01 -1.26 -0.99 114.94 118.97 3fek s ASN 6 Ca 0.00 -0.63 -0.07 0.00 -0.71 0.00 0.00 52.86 51.45 3fek s ASN 6 Cb 0.00 -1.82 -0.04 0.00 0.41 0.00 0.00 41.25 39.80 3fek s ASN 6 CO 0.00 -0.13 0.05 0.26 -1.51 0.00 0.00 177.10 175.77 3fek s TRP 7 N 1.48 3.22 -0.13 2.20 0.52 0.74 -1.25 118.94 125.72 3fek s TRP 7 Ca 0.03 0.01 -0.02 0.00 0.02 0.00 0.00 56.10 56.14 3fek s TRP 7 Cb -0.16 -2.07 -0.03 0.00 -1.15 0.00 0.00 33.47 30.06 3fek s TRP 7 CO 0.00 0.11 -0.04 -1.59 0.02 0.00 0.00 176.95 175.46 3fek s LYS 8 N 0.41 3.37 0.25 4.98 -2.85 0.79 -1.67 119.74 125.02 3fek s LYS 8 Ca 0.02 -0.51 -0.30 0.00 -1.00 0.00 0.00 55.97 54.18 3fek s LYS 8 Cb -0.13 -2.82 -0.09 0.00 -2.06 0.00 0.00 37.83 32.74 3fek s LYS 8 CO 0.01 0.40 1.00 -1.50 0.10 0.00 0.00 175.35 175.36 3fek s ILE 9 N -0.08 3.88 -0.05 3.79 2.07 -1.25 -0.85 121.20 128.71 3fek s ILE 9 Ca 0.02 1.87 0.04 0.00 -1.41 0.00 0.00 60.65 61.17 3fek s ILE 9 Cb -0.13 -4.19 -0.06 0.00 0.13 0.00 0.00 42.46 38.21 3fek s ILE 9 CO 0.03 0.44 0.01 2.30 -1.91 0.00 0.00 174.94 175.80 3fek n ILE 10 N 1.45 0.33 -3.74 2.00 -5.35 0.22 -4.91 119.36 109.36 3fek n ILE 10 Ca -0.01 -0.19 -0.13 0.00 -0.27 0.00 0.00 62.75 62.14 3fek n ILE 10 Cb 0.46 -0.86 -0.08 0.00 -1.74 0.00 0.00 39.64 37.42 3fek n ILE 10 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 3fek s ARG 11 N -2.12 0.73 -0.03 6.28 1.70 -1.13 -5.01 118.95 119.37 3fek s ARG 11 Ca -0.03 -0.20 -0.06 0.00 -0.47 0.00 0.00 55.73 54.97 3fek s ARG 11 Cb 0.01 0.32 0.01 0.00 -0.57 0.00 0.00 34.95 34.73 3fek s ARG 11 CO 0.19 -0.21 0.15 0.45 -1.08 0.00 0.00 175.30 174.80 3fek s SER 12 N -1.43 -0.08 -0.08 -2.89 0.15 -1.26 -1.07 113.70 107.05 3fek s SER 12 Ca -0.12 0.08 -0.12 0.00 0.70 0.00 0.00 55.95 56.49 3fek s SER 12 Cb -0.04 0.27 0.03 0.00 -1.71 0.00 0.00 66.02 64.57 3fek s SER 12 CO 0.04 -0.20 0.29 -1.83 1.20 0.00 0.00 173.24 172.74 3fek s GLU 13 N -0.58 0.46 -0.51 5.44 -1.05 -0.28 -4.96 118.70 117.23 3fek s GLU 13 Ca -0.07 0.18 0.00 0.00 -0.15 0.00 0.00 54.97 54.93 3fek s GLU 13 Cb -0.04 0.21 0.00 0.00 -0.44 0.00 0.00 34.13 33.86 3fek s GLU 13 CO 0.01 -0.09 0.00 0.09 0.95 0.00 0.00 175.26 176.22 3fek n ASN 14 N 2.32 -4.19 0.15 0.83 3.02 -1.26 -1.93 115.26 114.20 3fek n ASN 14 Ca -0.16 0.12 -0.14 0.00 -0.03 0.00 0.00 54.58 54.37 3fek n ASN 14 Cb 0.57 -2.11 -0.08 0.00 -0.61 0.00 0.00 39.78 37.55 3fek n ASN 14 CO 0.00 0.00 0.00 0.15 -2.62 0.00 0.00 177.26 174.79 3fek h PHE 15 N 0.00 -0.31 -0.50 3.10 3.57 -1.92 -0.79 116.94 120.09 3fek h PHE 15 Ca -0.10 -0.01 -0.04 0.00 3.53 0.00 0.00 57.97 61.36 3fek h PHE 15 Cb 0.52 0.10 -0.02 0.00 2.79 0.00 0.00 35.95 39.33 3fek h PHE 15 CO 0.26 -0.15 0.16 1.49 -2.23 0.00 0.00 178.31 177.85 3fek h GLU 16 N -0.39 0.74 -0.59 1.11 4.81 -1.95 -2.26 114.58 116.05 3fek h GLU 16 Ca -0.03 -0.12 -0.08 0.00 -0.13 0.00 0.00 59.36 58.99 3fek h GLU 16 Cb 0.30 -0.13 -0.02 0.00 0.63 0.00 0.00 28.75 29.53 3fek h GLU 16 CO 0.06 0.64 0.06 0.93 -0.73 0.00 0.00 179.01 179.96 3fek h GLU 17 N 0.72 0.98 -0.48 1.92 4.39 -1.93 0.12 114.58 120.31 3fek h GLU 17 Ca 0.17 -0.27 -0.03 0.00 0.34 0.00 0.00 59.36 59.58 3fek h GLU 17 Cb 0.21 -0.11 -0.02 0.00 -0.10 0.00 0.00 28.75 28.72 3fek h GLU 17 CO -0.01 0.93 0.20 1.25 -1.16 0.00 0.00 179.01 180.22 3fek h LEU 18 N 0.92 0.66 -0.95 1.33 5.85 -0.73 -2.00 115.31 120.39 3fek h LEU 18 Ca 0.18 -0.16 -0.09 0.00 0.84 0.00 0.00 57.88 58.64 3fek h LEU 18 Cb 0.45 -0.17 -0.01 0.00 0.37 0.00 0.00 40.66 41.30 3fek h LEU 18 CO 0.02 0.64 -0.20 -0.07 -0.34 0.00 0.00 178.44 178.49 3fek h LEU 19 N 0.63 0.54 -0.36 2.25 3.38 -1.03 -2.69 115.31 118.03 3fek h LEU 19 Ca 0.16 -0.17 -0.01 0.00 0.09 0.00 0.00 57.88 57.95 3fek h LEU 19 Cb 0.19 -0.15 -0.02 0.00 0.09 0.00 0.00 40.66 40.78 3fek h LEU 19 CO -0.01 0.74 0.19 0.50 0.09 0.00 0.00 178.44 179.95 3fek h LYS 20 N 0.49 0.50 0.00 1.13 3.64 -0.40 -1.65 116.57 120.28 3fek h LYS 20 Ca 0.08 -0.06 0.00 0.00 -1.27 0.00 0.00 60.65 59.39 3fek h LYS 20 Cb 0.61 -0.10 0.00 0.00 -0.41 0.00 0.00 32.23 32.34 3fek h LYS 20 CO 0.04 0.43 0.00 -0.39 -2.27 0.00 0.00 179.45 177.26 3fek h VAL 21 N 0.45 0.00 0.00 2.00 -1.51 -1.22 0.17 116.25 116.14 3fek h VAL 21 Ca 0.12 -0.63 0.00 0.00 -1.23 0.00 0.00 66.70 64.97 3fek h VAL 21 Cb 0.08 1.61 0.00 0.00 -2.13 0.00 0.00 31.29 30.85 3fek h VAL 21 CO -0.02 0.00 0.00 0.18 -1.23 0.00 0.00 177.57 176.50 3fek n LEU 22 N -3.02 0.00 0.00 4.19 4.77 -1.01 -4.92 117.00 117.01 3fek n LEU 22 Ca 0.02 0.24 0.00 0.00 -0.03 0.00 0.00 56.01 56.24 3fek n LEU 22 Cb 0.37 -0.24 0.00 0.00 -2.33 0.00 0.00 43.42 41.21 3fek n LEU 22 CO 0.29 -0.01 0.00 0.61 -1.33 0.00 0.00 177.39 176.95 3fek n GLY 23 N 1.18 0.63 3.71 -0.72 0.00 0.05 -5.05 105.19 104.99 3fek n GLY 23 Ca 0.15 -0.45 -0.42 0.00 0.00 0.00 0.00 46.02 45.31 3fek n GLY 23 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3fek s VAL 24 N -2.00 3.62 0.79 1.61 1.01 -0.65 -5.00 120.40 119.77 3fek s VAL 24 Ca 0.00 1.14 -0.11 0.00 0.00 0.00 0.00 61.98 63.01 3fek s VAL 24 Cb 0.00 -3.73 0.06 0.00 0.00 0.00 0.00 36.38 32.71 3fek s VAL 24 CO 0.00 0.07 1.09 0.54 0.00 0.00 0.00 175.10 176.80 3fek s ASN 25 N 1.24 4.50 0.26 3.32 6.03 -1.26 -4.56 114.94 124.46 3fek s ASN 25 Ca 0.62 1.51 -0.05 0.00 -1.03 0.00 0.00 52.86 53.91 3fek s ASN 25 Cb -0.33 -2.26 0.30 0.00 -3.03 0.00 0.00 41.25 35.92 3fek s ASN 25 CO 0.29 -1.99 1.91 1.62 -2.03 0.00 0.00 177.10 176.90 3fek h VAL 26 N -1.10 1.25 -0.40 3.54 3.04 -1.99 -0.36 116.25 120.23 3fek h VAL 26 Ca -0.46 -0.53 -0.00 0.00 -1.01 0.00 0.00 66.70 64.70 3fek h VAL 26 Cb 1.25 -0.03 -0.02 0.00 -2.01 0.00 0.00 31.29 30.48 3fek h VAL 26 CO 0.56 0.26 0.24 -0.03 -1.01 0.00 0.00 177.57 177.59 3fek h MET 27 N 1.24 0.54 -0.20 4.17 1.85 -2.00 -0.93 114.93 119.61 3fek h MET 27 Ca 0.33 -0.05 -0.08 0.00 -0.61 0.00 0.00 59.70 59.28 3fek h MET 27 Cb -0.06 -0.11 -0.01 0.00 0.43 0.00 0.00 31.60 31.84 3fek h MET 27 CO -0.06 0.40 -0.25 -0.07 -0.40 0.00 0.00 176.91 176.53 3fek h LEU 28 N 0.53 0.37 -0.45 3.39 3.38 -1.77 -2.16 115.31 118.60 3fek h LEU 28 Ca 0.14 -0.12 -0.02 0.00 0.09 0.00 0.00 57.88 57.98 3fek h LEU 28 Cb -0.00 -0.10 -0.02 0.00 0.09 0.00 0.00 40.66 40.63 3fek h LEU 28 CO -0.03 0.62 0.22 0.03 0.09 0.00 0.00 178.44 179.37 3fek h ARG 29 N 0.33 0.65 -0.61 1.13 3.08 -0.63 -0.10 114.38 118.22 3fek h ARG 29 Ca 0.05 -0.09 -0.05 0.00 0.07 0.00 0.00 59.98 59.96 3fek h ARG 29 Cb 0.61 -0.12 -0.03 0.00 0.08 0.00 0.00 29.97 30.52 3fek h ARG 29 CO 0.04 0.55 0.17 0.87 -1.07 0.00 0.00 179.97 180.54 3fek h LYS 30 N 0.58 0.94 -0.71 0.04 1.79 -1.02 -1.68 116.57 116.51 3fek h LYS 30 Ca 0.15 -0.19 -0.07 0.00 -2.18 0.00 0.00 60.65 58.36 3fek h LYS 30 Cb 0.12 -0.14 -0.03 0.00 -1.58 0.00 0.00 32.23 30.59 3fek h LYS 30 CO -0.02 0.82 0.16 0.82 -1.08 0.00 0.00 179.45 180.15 3fek h ILE 31 N 0.90 1.26 0.00 1.86 1.08 -1.16 -2.12 117.51 119.34 3fek h ILE 31 Ca 0.20 -0.99 -0.01 0.00 -0.39 0.00 0.00 64.86 63.67 3fek h ILE 31 Cb 0.28 0.54 -0.00 0.00 -3.07 0.00 0.00 36.82 34.58 3fek h ILE 31 CO -0.01 0.38 -0.03 0.00 -0.69 0.00 0.00 178.15 177.80 3fek h ALA 32 N 1.09 1.84 -0.08 1.87 0.00 -0.24 -1.08 119.26 122.65 3fek h ALA 32 Ca 0.22 -0.03 -0.06 0.00 0.00 0.00 0.00 54.91 55.05 3fek h ALA 32 Cb 0.39 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.17 3fek h ALA 32 CO 0.00 0.04 -0.17 0.28 0.00 0.00 0.00 179.25 179.41 3fek h VAL 33 N 0.00 1.41 -0.96 0.00 2.07 -0.77 -1.76 116.25 116.23 3fek h VAL 33 Ca -0.00 -1.47 0.09 0.00 0.82 0.00 0.00 66.70 66.14 3fek h VAL 33 Cb 0.06 2.18 -0.07 0.00 -1.52 0.00 0.00 31.29 31.94 3fek h VAL 33 CO 0.00 0.42 0.62 0.00 0.02 0.00 0.00 177.57 178.63 3fek h ALA 34 N 0.49 1.52 0.00 1.67 0.00 -0.82 -2.71 119.26 119.42 3fek h ALA 34 Ca 0.00 -0.01 -0.08 0.00 0.00 0.00 0.00 54.91 54.83 3fek h ALA 34 Cb 0.75 -0.25 -0.01 0.00 0.00 0.00 0.00 17.79 18.29 3fek h ALA 34 CO 0.04 0.30 -0.38 0.00 0.00 0.00 0.00 179.25 179.21 3fek h ALA 35 N 1.51 0.89 -0.92 0.00 0.00 -1.22 -2.88 119.26 116.64 3fek h ALA 35 Ca 0.44 -0.34 -0.65 0.00 0.00 0.00 0.00 54.91 54.36 3fek h ALA 35 Cb 0.33 -0.06 -0.26 0.00 0.00 0.00 0.00 17.79 17.79 3fek h ALA 35 CO -0.19 0.47 0.84 0.00 0.00 0.00 0.00 179.25 180.37 3fek n ALA 36 N -2.25 6.24 -2.68 0.00 0.00 -0.67 -4.34 120.51 116.82 3fek n ALA 36 Ca 0.01 -3.37 -0.42 0.00 0.00 0.00 0.00 53.44 49.66 3fek n ALA 36 Cb 0.56 -1.79 -0.03 0.00 0.00 0.00 0.00 19.45 18.20 3fek n ALA 36 CO 0.00 0.00 0.00 -1.12 0.00 0.00 0.00 177.50 176.38 3fek s SER 37 N -1.38 7.15 -0.64 0.00 0.01 -1.09 -4.45 113.70 113.30 3fek s SER 37 Ca 0.58 1.43 -0.09 0.00 1.31 0.00 0.00 55.95 59.18 3fek s SER 37 Cb 0.46 -2.53 0.01 0.00 0.21 0.00 0.00 66.02 64.17 3fek s SER 37 CO -0.09 -0.50 0.65 0.29 0.41 0.00 0.00 173.24 174.00 3fek n LYS 38 N 5.41 -1.71 -2.79 12.44 5.02 -1.26 -1.17 118.16 134.09 3fek n LYS 38 Ca 0.09 1.48 -0.43 0.00 -2.02 0.00 0.00 58.31 57.44 3fek n LYS 38 Cb 0.48 -4.49 -0.04 0.00 -0.02 0.00 0.00 35.03 30.96 3fek n LYS 38 CO 0.00 0.00 0.00 -1.25 -0.52 0.00 0.00 177.40 175.63 3fek s PRO 39 N -3.26 3.24 -0.16 1.97 0.04 -1.25 -4.22 135.00 131.35 3fek s PRO 39 Ca 0.11 -0.44 -0.06 0.00 0.04 0.00 0.00 61.00 60.65 3fek s PRO 39 Cb -0.02 -4.13 -0.04 0.00 0.04 0.00 0.00 34.50 30.34 3fek s PRO 39 CO 0.80 -1.72 0.06 0.00 0.04 0.00 0.00 177.00 176.19 3fek s ALA 40 N 4.31 3.44 -0.22 8.56 0.00 0.17 -3.96 121.76 134.05 3fek s ALA 40 Ca 0.29 -0.74 0.01 0.00 0.00 0.00 0.00 51.96 51.52 3fek s ALA 40 Cb -0.13 -1.85 0.04 0.00 0.00 0.00 0.00 23.12 21.18 3fek s ALA 40 CO 0.16 0.30 -0.14 0.08 0.00 0.00 0.00 175.76 176.15 3fek s VAL 41 N -0.01 2.24 -0.25 0.00 1.01 -0.67 -0.49 120.40 122.23 3fek s VAL 41 Ca 0.06 -1.22 -0.10 0.00 0.00 0.00 0.00 61.98 60.72 3fek s VAL 41 Cb -0.12 -2.12 -0.05 0.00 0.00 0.00 0.00 36.38 34.09 3fek s VAL 41 CO 0.01 0.27 0.16 -0.70 0.00 0.00 0.00 175.10 174.84 3fek s GLU 42 N 1.22 4.03 -0.07 2.72 2.12 0.28 -0.18 118.70 128.82 3fek s GLU 42 Ca -0.01 -0.29 0.04 0.00 0.36 0.00 0.00 54.97 55.07 3fek s GLU 42 Cb -0.16 -3.56 -0.01 0.00 0.26 0.00 0.00 34.13 30.66 3fek s GLU 42 CO -0.09 0.00 -0.20 0.42 -0.54 0.00 0.00 175.26 174.85 3fek s ILE 43 N 1.22 2.47 -0.25 -3.70 1.01 -0.16 -0.74 121.20 121.05 3fek s ILE 43 Ca 0.07 -0.91 0.01 0.00 0.00 0.00 0.00 60.65 59.82 3fek s ILE 43 Cb -0.14 -1.95 0.05 0.00 0.01 0.00 0.00 42.46 40.43 3fek s ILE 43 CO 0.06 0.56 -0.09 -0.54 0.00 0.00 0.00 174.94 174.93 3fek s LYS 44 N -0.15 2.50 -0.19 2.79 1.02 -0.06 -1.06 119.74 124.58 3fek s LYS 44 Ca -0.03 -1.19 -0.07 0.00 0.02 0.00 0.00 55.97 54.71 3fek s LYS 44 Cb -0.14 -2.91 -0.04 0.00 -0.52 0.00 0.00 37.83 34.22 3fek s LYS 44 CO 0.04 -0.49 0.05 -1.14 -0.92 0.00 0.00 175.35 172.88 3fek s GLN 45 N 1.20 3.85 -0.47 1.68 0.74 -1.26 -1.13 119.66 124.27 3fek s GLN 45 Ca -0.04 -0.40 0.03 0.00 0.05 0.00 0.00 55.36 54.99 3fek s GLN 45 Cb -0.18 -3.19 0.13 0.00 1.10 0.00 0.00 33.01 30.87 3fek s GLN 45 CO -0.05 0.16 0.25 -1.21 -0.55 0.00 0.00 175.29 173.89 3fek s GLU 46 N 0.66 1.57 7.70 1.67 2.02 0.02 -4.84 118.70 127.50 3fek s GLU 46 Ca 0.02 -2.27 0.00 0.00 0.02 0.00 0.00 54.97 52.75 3fek s GLU 46 Cb -0.13 -2.72 0.00 0.00 0.10 0.00 0.00 34.13 31.38 3fek s GLU 46 CO 0.02 -1.15 0.00 0.41 0.02 0.00 0.00 175.26 174.56 3fek n GLY 47 N 3.34 3.07 0.70 -1.39 0.00 -1.26 -2.00 105.19 107.65 3fek n GLY 47 Ca 0.08 -0.18 0.12 0.00 0.00 0.00 0.00 46.02 46.03 3fek n GLY 47 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 3fek n ASP 48 N 7.79 2.14 -4.81 1.61 9.92 -1.26 -4.88 116.55 127.07 3fek n ASP 48 Ca 0.00 -1.74 -0.36 0.00 -0.53 0.00 0.00 54.79 52.16 3fek n ASP 48 Cb 0.00 -0.07 -0.07 0.00 -0.64 0.00 0.00 41.12 40.34 3fek n ASP 48 CO 0.00 0.00 0.00 -0.89 0.13 0.00 0.00 177.20 176.44 3fek s THR 49 N -1.85 5.45 0.01 -3.53 2.01 -0.85 -1.10 115.64 115.78 3fek s THR 49 Ca 0.34 0.22 0.04 0.00 0.31 0.00 0.00 61.69 62.60 3fek s THR 49 Cb 0.20 -3.44 -0.01 0.00 0.01 0.00 0.00 72.50 69.25 3fek s THR 49 CO 0.30 0.53 -0.13 -0.36 -0.69 0.00 0.00 174.62 174.27 3fek s PHE 50 N -0.38 1.17 -0.12 4.92 0.40 0.35 -0.80 117.98 123.52 3fek s PHE 50 Ca 0.12 -0.27 0.03 0.00 -0.60 0.00 0.00 56.93 56.21 3fek s PHE 50 Cb -0.12 -0.73 0.00 0.00 0.51 0.00 0.00 43.02 42.69 3fek s PHE 50 CO 0.01 0.00 -0.22 -0.47 0.70 0.00 0.00 175.22 175.25 3fek s TYR 51 N -0.52 2.64 -0.11 0.36 5.04 -0.28 -1.48 117.35 123.00 3fek s TYR 51 Ca 0.03 -1.18 0.01 0.00 -2.44 0.00 0.00 57.07 53.50 3fek s TYR 51 Cb -0.06 -1.78 0.02 0.00 0.35 0.00 0.00 41.96 40.49 3fek s TYR 51 CO 0.00 -0.51 -0.14 0.42 -1.34 0.00 0.00 175.55 173.99 3fek s ILE 52 N 0.60 1.39 -0.14 3.14 1.01 -0.50 -0.88 121.20 125.82 3fek s ILE 52 Ca -0.12 -0.57 0.01 0.00 0.00 0.00 0.00 60.65 59.97 3fek s ILE 52 Cb -0.17 -1.29 -0.00 0.00 0.01 0.00 0.00 42.46 41.02 3fek s ILE 52 CO 0.03 0.42 -0.18 -0.75 0.00 0.00 0.00 174.94 174.46 3fek s LYS 53 N 1.08 3.17 -0.23 2.79 2.20 0.08 -1.14 119.74 127.69 3fek s LYS 53 Ca -0.05 -0.78 -0.06 0.00 -0.36 0.00 0.00 55.97 54.72 3fek s LYS 53 Cb -0.15 -2.55 -0.02 0.00 -1.51 0.00 0.00 37.83 33.61 3fek s LYS 53 CO -0.02 0.05 0.02 0.08 -0.36 0.00 0.00 175.35 175.11 3fek s VAL 54 N 0.72 3.96 -0.12 4.02 1.01 0.59 -0.56 120.40 130.01 3fek s VAL 54 Ca -0.08 -0.30 0.01 0.00 0.00 0.00 0.00 61.98 61.61 3fek s VAL 54 Cb -0.16 -2.82 -0.01 0.00 0.00 0.00 0.00 36.38 33.39 3fek s VAL 54 CO 0.01 0.38 -0.16 -0.44 0.00 0.00 0.00 175.10 174.90 3fek s SER 55 N 1.44 3.79 0.43 3.32 0.01 0.36 -1.08 113.70 121.98 3fek s SER 55 Ca 0.05 -0.38 0.04 0.00 1.31 0.00 0.00 55.95 56.97 3fek s SER 55 Cb -0.15 -1.55 -0.01 0.00 0.21 0.00 0.00 66.02 64.52 3fek s SER 55 CO 0.01 0.17 0.14 0.35 0.41 0.00 0.00 173.24 174.32 3fek n THR 56 N 3.50 0.00 0.29 1.44 -2.24 -0.29 -0.66 114.28 116.32 3fek n THR 56 Ca -0.18 -2.49 0.18 0.00 -2.27 0.00 0.00 64.05 59.29 3fek n THR 56 Cb 0.53 0.87 0.86 0.00 -2.10 0.00 0.00 70.33 70.48 3fek n THR 56 CO 0.00 0.00 0.00 0.71 -0.57 0.00 0.00 175.07 175.21 3fek h THR 57 N 1.68 0.10 0.00 4.28 1.35 -1.32 -3.23 112.91 115.77 3fek h THR 57 Ca -0.34 -0.38 -0.16 0.00 -0.55 0.00 0.00 66.41 64.99 3fek h THR 57 Cb 1.28 1.34 -0.03 0.00 -1.73 0.00 0.00 68.15 69.00 3fek h THR 57 CO 0.54 0.02 -1.82 1.33 -0.25 0.00 0.00 175.52 175.35 3fek n VAL 58 N -3.17 0.59 -3.62 6.82 0.24 -1.26 -5.08 118.33 112.84 3fek n VAL 58 Ca -0.01 -0.48 -0.10 0.00 -2.04 0.00 0.00 64.34 61.71 3fek n VAL 58 Cb 0.23 -0.36 -0.03 0.00 -1.47 0.00 0.00 33.84 32.21 3fek n VAL 58 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 3fek s ARG 59 N -2.56 1.36 -0.06 7.34 1.70 -1.22 -5.13 118.95 120.39 3fek s ARG 59 Ca -0.06 -0.72 0.02 0.00 -0.47 0.00 0.00 55.73 54.51 3fek s ARG 59 Cb 0.06 0.55 0.01 0.00 -0.57 0.00 0.00 34.95 35.00 3fek s ARG 59 CO 0.56 -0.59 -0.12 0.99 -1.08 0.00 0.00 175.30 175.07 3fek s THR 60 N -3.83 1.08 -0.00 4.99 2.01 -1.26 -1.14 115.64 117.49 3fek s THR 60 Ca 0.06 -0.46 0.07 0.00 0.31 0.00 0.00 61.69 61.67 3fek s THR 60 Cb -0.01 -0.98 -0.02 0.00 0.01 0.00 0.00 72.50 71.50 3fek s THR 60 CO -0.06 0.34 -0.24 -0.89 -0.69 0.00 0.00 174.62 173.08 3fek s THR 61 N 0.55 1.86 -0.03 -0.82 2.01 -0.24 -4.98 115.64 114.00 3fek s THR 61 Ca -0.12 -1.07 0.03 0.00 0.31 0.00 0.00 61.69 60.84 3fek s THR 61 Cb -0.14 -1.56 0.00 0.00 0.01 0.00 0.00 72.50 70.81 3fek s THR 61 CO 0.03 0.47 -0.11 -1.61 -0.69 0.00 0.00 174.62 172.71 3fek s GLU 62 N -0.71 1.14 0.07 4.92 2.02 -1.26 -0.30 118.70 124.59 3fek s GLU 62 Ca 0.09 -0.37 0.06 0.00 0.02 0.00 0.00 54.97 54.77 3fek s GLU 62 Cb -0.09 -1.04 -0.03 0.00 0.10 0.00 0.00 34.13 33.06 3fek s GLU 62 CO -0.00 0.14 -0.17 0.96 0.02 0.00 0.00 175.26 176.21 3fek s ILE 63 N 0.17 1.32 -0.08 -1.63 -4.36 -0.29 -5.00 121.20 111.34 3fek s ILE 63 Ca -0.03 -1.33 0.02 0.00 -0.26 0.00 0.00 60.65 59.04 3fek s ILE 63 Cb -0.09 -1.23 0.02 0.00 1.25 0.00 0.00 42.46 42.41 3fek s ILE 63 CO 0.01 -0.12 -0.11 0.20 0.24 0.00 0.00 174.94 175.15 3fek s ASN 64 N -1.68 1.89 0.08 4.36 0.01 -1.26 -1.41 114.94 116.92 3fek s ASN 64 Ca 0.01 -0.30 -0.15 0.00 -0.71 0.00 0.00 52.86 51.71 3fek s ASN 64 Cb -0.10 -0.83 0.03 0.00 0.41 0.00 0.00 41.25 40.76 3fek s ASN 64 CO 0.03 -0.01 0.36 0.72 -1.51 0.00 0.00 177.10 176.69 3fek s PHE 65 N 0.95 -0.16 -0.07 2.20 -0.12 -0.55 -4.90 117.98 115.33 3fek s PHE 65 Ca -0.09 -0.04 0.03 0.00 -0.05 0.00 0.00 56.93 56.79 3fek s PHE 65 Cb -0.15 0.18 -0.02 0.00 -0.63 0.00 0.00 43.02 42.40 3fek s PHE 65 CO 0.00 -0.60 -0.17 0.21 -0.05 0.00 0.00 175.22 174.61 3fek s LYS 66 N -3.11 2.73 0.11 1.99 2.20 -1.26 -0.49 119.74 121.91 3fek s LYS 66 Ca -0.01 -0.76 -0.35 0.00 -0.36 0.00 0.00 55.97 54.48 3fek s LYS 66 Cb 0.01 -2.37 -0.15 0.00 -1.51 0.00 0.00 37.83 33.80 3fek s LYS 66 CO -0.07 0.45 1.47 0.28 -0.36 0.00 0.00 175.35 177.12 3fek n VAL 67 N 2.80 0.02 -0.51 4.02 0.31 -0.26 -1.33 118.33 123.39 3fek n VAL 67 Ca -0.17 -0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.15 3fek n VAL 67 Cb 0.52 -1.17 0.00 0.00 -0.91 0.00 0.00 33.84 32.28 3fek n VAL 67 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 3fek n GLY 68 N 3.00 0.83 3.21 2.92 0.00 0.24 -5.02 105.19 110.37 3fek n GLY 68 Ca 0.18 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.88 3fek n GLY 68 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3fek s GLU 69 N -0.46 3.07 0.50 1.61 2.02 -0.44 -4.99 118.70 120.01 3fek s GLU 69 Ca 0.00 -0.85 -0.23 0.00 0.02 0.00 0.00 54.97 53.91 3fek s GLU 69 Cb 0.00 -2.40 -0.06 0.00 0.10 0.00 0.00 34.13 31.76 3fek s GLU 69 CO 0.00 0.09 1.36 -1.21 0.02 0.00 0.00 175.26 175.52 3fek s GLU 70 N 0.57 3.44 0.21 1.61 2.02 -1.26 -4.51 118.70 120.78 3fek s GLU 70 Ca -0.13 2.24 -0.07 0.00 0.02 0.00 0.00 54.97 57.03 3fek s GLU 70 Cb -0.17 -2.44 -0.02 0.00 0.10 0.00 0.00 34.13 31.61 3fek s GLU 70 CO 0.04 -0.95 0.29 -0.59 0.02 0.00 0.00 175.26 174.07 3fek s PHE 71 N -1.29 0.67 -0.11 1.61 -0.71 -0.58 -4.97 117.98 112.60 3fek s PHE 71 Ca 0.66 -0.99 -0.01 0.00 -1.04 0.00 0.00 56.93 55.56 3fek s PHE 71 Cb -0.40 -0.16 -0.03 0.00 -1.21 0.00 0.00 43.02 41.22 3fek s PHE 71 CO 0.49 -0.79 -0.07 -1.21 -1.34 0.00 0.00 175.22 172.30 3fek s GLU 72 N -4.06 3.21 0.00 1.99 2.02 -1.26 0.25 118.70 120.84 3fek s GLU 72 Ca 0.27 -0.56 0.00 0.00 0.02 0.00 0.00 54.97 54.70 3fek s GLU 72 Cb 0.03 -2.72 0.00 0.00 0.10 0.00 0.00 34.13 31.55 3fek s GLU 72 CO 0.08 0.43 0.00 -0.85 0.02 0.00 0.00 175.26 174.94 3fek n GLU 73 N 2.94 0.00 -4.90 1.61 0.28 -0.75 -4.95 120.64 114.86 3fek n GLU 73 Ca -0.18 0.00 -0.31 0.00 -0.16 0.00 0.00 57.16 56.52 3fek n GLU 73 Cb 0.53 0.00 -0.14 0.00 1.43 0.00 0.00 31.44 33.25 3fek n GLU 73 CO 0.00 0.00 0.00 -0.65 -0.16 0.00 0.00 177.13 176.32 3fek s GLN 74 N 1.03 1.99 1.12 3.44 -0.21 -1.26 -0.81 119.66 124.96 3fek s GLN 74 Ca 0.00 -1.01 -0.13 0.00 0.02 0.00 0.00 55.36 54.24 3fek s GLN 74 Cb 0.00 -2.08 0.26 0.00 1.00 0.00 0.00 33.01 32.18 3fek s GLN 74 CO 0.00 0.54 1.05 0.95 -2.12 0.00 0.00 175.29 175.71 3fek s THR 75 N -0.80 2.04 0.49 -0.19 -4.23 0.73 -4.84 115.64 108.84 3fek s THR 75 Ca 0.12 0.01 0.18 0.00 -1.18 0.00 0.00 61.69 60.82 3fek s THR 75 Cb -0.10 -2.20 0.24 0.00 1.34 0.00 0.00 72.50 71.78 3fek s THR 75 CO 0.02 -0.02 2.08 1.62 -0.54 0.00 0.00 174.62 177.79 3fek h VAL 76 N -2.41 0.98 -0.36 2.29 3.04 -1.98 0.59 116.25 118.39 3fek h VAL 76 Ca -0.59 -0.33 0.00 0.00 -1.01 0.00 0.00 66.70 64.77 3fek h VAL 76 Cb 1.33 1.18 0.00 0.00 -2.01 0.00 0.00 31.29 31.79 3fek h VAL 76 CO 0.52 0.09 0.00 -0.90 -1.01 0.00 0.00 177.57 176.28 3fek n ASP 77 N -4.30 2.31 0.00 3.17 5.75 -1.26 -4.95 116.55 117.27 3fek n ASP 77 Ca -0.03 -1.91 0.00 0.00 -0.01 0.00 0.00 54.79 52.84 3fek n ASP 77 Cb 0.17 -0.24 0.00 0.00 -1.03 0.00 0.00 41.12 40.03 3fek n ASP 77 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 3fek n GLY 78 N 1.23 0.86 3.73 6.12 0.00 0.20 -5.07 105.19 112.25 3fek n GLY 78 Ca 0.16 -0.12 -0.38 0.00 0.00 0.00 0.00 46.02 45.69 3fek n GLY 78 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3fek s ARG 79 N -0.65 4.32 0.29 1.61 0.52 -1.26 -4.75 118.95 119.03 3fek s ARG 79 Ca 0.00 0.45 -0.30 0.00 -0.52 0.00 0.00 55.73 55.36 3fek s ARG 79 Cb 0.00 -3.43 -0.13 0.00 0.52 0.00 0.00 34.95 31.92 3fek s ARG 79 CO 0.00 0.18 1.41 -2.30 0.02 0.00 0.00 175.30 174.61 3fek n PRO 80 N 3.59 2.20 -4.00 3.54 -0.02 -1.26 -0.19 135.00 138.86 3fek n PRO 80 Ca -0.07 0.78 -0.09 0.00 -2.02 0.00 0.00 63.50 62.10 3fek n PRO 80 Cb 0.52 -2.44 -0.09 0.00 -0.02 0.00 0.00 33.50 31.47 3fek n PRO 80 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3fek s LYS 82 N -3.94 4.03 0.17 0.00 2.20 0.14 -1.81 119.74 120.53 3fek s LYS 82 Ca 0.12 -0.29 0.08 0.00 -0.36 0.00 0.00 55.97 55.52 3fek s LYS 82 Cb 0.06 -3.50 -0.04 0.00 -1.51 0.00 0.00 37.83 32.84 3fek s LYS 82 CO -0.06 0.06 -0.09 -1.12 -0.36 0.00 0.00 175.35 173.78 3fek s SER 83 N 1.04 4.31 -0.13 1.43 0.01 0.14 -0.51 113.70 119.99 3fek s SER 83 Ca 0.07 -0.54 -0.04 0.00 1.31 0.00 0.00 55.95 56.75 3fek s SER 83 Cb -0.14 -0.76 0.06 0.00 0.21 0.00 0.00 66.02 65.40 3fek s SER 83 CO 0.04 0.11 0.23 -0.22 0.41 0.00 0.00 173.24 173.82 3fek s LEU 84 N -2.75 -0.23 -0.10 2.44 2.96 -0.70 -1.52 118.68 118.78 3fek s LEU 84 Ca 0.25 0.42 -0.10 0.00 -0.22 0.00 0.00 54.13 54.48 3fek s LEU 84 Cb -0.09 0.56 -0.05 0.00 0.50 0.00 0.00 46.19 47.11 3fek s LEU 84 CO 0.15 -0.25 0.23 -0.69 -1.32 0.00 0.00 176.35 174.47 3fek s VAL 85 N 2.38 5.35 0.08 1.68 1.01 -1.26 -1.84 120.40 127.80 3fek s VAL 85 Ca 0.03 0.41 0.02 0.00 0.00 0.00 0.00 61.98 62.44 3fek s VAL 85 Cb -0.13 -3.51 -0.04 0.00 0.00 0.00 0.00 36.38 32.71 3fek s VAL 85 CO -0.08 0.57 -0.08 -0.54 0.00 0.00 0.00 175.10 174.97 3fek s LYS 86 N -0.77 0.76 0.28 2.72 1.02 -0.12 -0.59 119.74 123.04 3fek s LYS 86 Ca 0.17 -1.13 -0.28 0.00 0.02 0.00 0.00 55.97 54.75 3fek s LYS 86 Cb -0.13 -0.33 -0.09 0.00 -0.52 0.00 0.00 37.83 36.75 3fek s LYS 86 CO 0.06 0.03 0.96 -1.58 -0.92 0.00 0.00 175.35 173.90 3fek s TRP 87 N -2.67 3.82 -0.21 3.18 0.52 -1.26 -0.61 118.94 121.70 3fek s TRP 87 Ca 0.04 1.84 0.13 0.00 0.02 0.00 0.00 56.10 58.13 3fek s TRP 87 Cb -0.01 -3.00 -0.22 0.00 -1.15 0.00 0.00 33.47 29.09 3fek s TRP 87 CO -0.02 0.23 -0.02 -1.91 0.02 0.00 0.00 176.95 175.25 3fek n GLU 88 N 1.07 0.71 -2.70 4.98 2.13 0.94 -4.85 120.64 122.94 3fek n GLU 88 Ca -0.00 0.04 -0.06 0.00 0.66 0.00 0.00 57.16 57.80 3fek n GLU 88 Cb 0.48 -1.51 0.02 0.00 0.27 0.00 0.00 31.44 30.69 3fek n GLU 88 CO 0.00 0.00 0.00 -1.13 -0.41 0.00 0.00 177.13 175.59 3fek n SER 89 N -2.89 -1.37 0.17 4.31 3.41 -1.12 -4.98 113.62 111.15 3fek n SER 89 Ca -0.36 -1.98 0.05 0.00 -0.26 0.00 0.00 58.87 56.32 3fek n SER 89 Cb 1.10 2.29 0.50 0.00 -0.26 0.00 0.00 64.21 67.84 3fek n SER 89 CO 0.00 0.00 0.00 -0.08 -0.16 0.00 0.00 175.04 174.80 3fek h GLU 90 N 0.00 0.16 -0.11 4.33 4.81 -2.01 -2.98 114.58 118.78 3fek h GLU 90 Ca -0.20 -0.02 0.00 0.00 -0.13 0.00 0.00 59.36 59.01 3fek h GLU 90 Cb 0.75 -0.03 0.00 0.00 0.63 0.00 0.00 28.75 30.10 3fek h GLU 90 CO 0.26 0.21 0.00 0.09 -0.73 0.00 0.00 179.01 178.84 3fek n ASN 91 N -4.41 2.57 -3.78 1.04 3.02 -1.26 -4.81 115.26 107.64 3fek n ASN 91 Ca -0.01 -2.43 -0.13 0.00 -0.03 0.00 0.00 54.58 51.98 3fek n ASN 91 Cb 0.17 -0.24 -0.14 0.00 -0.61 0.00 0.00 39.78 38.96 3fek n ASN 91 CO 0.00 0.00 0.00 -0.75 -2.62 0.00 0.00 177.26 173.89 3fek s LYS 92 N -1.75 0.10 0.13 3.52 2.20 -1.13 -1.30 119.74 121.51 3fek s LYS 92 Ca 0.19 0.30 0.09 0.00 -0.36 0.00 0.00 55.97 56.19 3fek s LYS 92 Cb 0.15 -0.10 -0.04 0.00 -1.51 0.00 0.00 37.83 36.33 3fek s LYS 92 CO 0.05 -0.12 -0.17 0.00 -0.36 0.00 0.00 175.35 174.76 3fek s MET 93 N 0.80 1.81 -0.02 4.03 0.23 -0.50 -0.04 119.30 125.62 3fek s MET 93 Ca -0.06 -1.19 0.04 0.00 -1.03 0.00 0.00 55.69 53.45 3fek s MET 93 Cb -0.08 -2.12 -0.01 0.00 -1.53 0.00 0.00 34.83 31.09 3fek s MET 93 CO -0.04 0.47 -0.15 0.08 -2.03 0.00 0.00 175.02 173.36 3fek s VAL 94 N -1.22 1.19 -0.11 5.16 1.01 0.22 -2.01 120.40 124.64 3fek s VAL 94 Ca 0.19 -0.64 0.04 0.00 0.00 0.00 0.00 61.98 61.57 3fek s VAL 94 Cb -0.10 -1.00 0.00 0.00 0.00 0.00 0.00 36.38 35.28 3fek s VAL 94 CO 0.11 0.34 -0.23 0.00 0.00 0.00 0.00 175.10 175.32 3fek s GLU 96 N 0.46 2.72 -0.03 0.00 0.41 -0.77 -1.96 118.70 119.54 3fek s GLU 96 Ca -0.16 -0.63 0.07 0.00 -0.41 0.00 0.00 54.97 53.83 3fek s GLU 96 Cb -0.17 -2.62 -0.02 0.00 -1.78 0.00 0.00 34.13 29.54 3fek s GLU 96 CO 0.06 0.62 -0.23 -0.65 -0.49 0.00 0.00 175.26 174.58 3fek s GLN 97 N -1.44 1.98 -0.12 1.61 -0.21 -1.18 -1.71 119.66 118.59 3fek s GLN 97 Ca 0.18 -0.83 0.01 0.00 0.02 0.00 0.00 55.36 54.74 3fek s GLN 97 Cb -0.11 -1.86 0.02 0.00 1.00 0.00 0.00 33.01 32.06 3fek s GLN 97 CO 0.09 0.46 -0.12 0.15 -2.12 0.00 0.00 175.29 173.75 3fek s LYS 98 N -0.44 1.94 0.45 2.91 3.01 0.33 -4.63 119.74 123.32 3fek s LYS 98 Ca 0.06 -0.43 -0.25 0.00 -1.01 0.00 0.00 55.97 54.33 3fek s LYS 98 Cb -0.10 -1.79 -0.08 0.00 -1.01 0.00 0.00 37.83 34.85 3fek s LYS 98 CO 0.00 -0.18 1.44 -0.51 0.51 0.00 0.00 175.35 176.61 3fek s LEU 99 N 1.35 4.11 0.12 3.17 1.43 -1.26 0.27 118.68 127.87 3fek s LEU 99 Ca 0.00 2.94 -0.14 0.00 -1.03 0.00 0.00 54.13 55.90 3fek s LEU 99 Cb -0.14 -3.93 -0.03 0.00 0.03 0.00 0.00 46.19 42.13 3fek s LEU 99 CO -0.06 -1.19 1.55 -0.07 0.23 0.00 0.00 176.35 176.81 3fek h LEU 100 N 2.32 0.72 -8.34 1.79 3.38 -1.71 -3.44 115.31 110.03 3fek h LEU 100 Ca -0.51 -0.33 -0.50 0.00 0.09 0.00 0.00 57.88 56.63 3fek h LEU 100 Cb 1.27 -0.19 -0.27 0.00 0.09 0.00 0.00 40.66 41.55 3fek h LEU 100 CO 0.61 0.88 -0.82 -0.75 0.09 0.00 0.00 178.44 178.45 3fek s LYS 101 N -4.91 1.17 1.62 1.13 2.20 -1.26 -5.07 119.74 114.63 3fek s LYS 101 Ca -0.13 -0.70 0.00 0.00 -0.36 0.00 0.00 55.97 54.78 3fek s LYS 101 Cb 0.10 -1.18 0.00 0.00 -1.51 0.00 0.00 37.83 35.24 3fek s LYS 101 CO 0.80 0.31 0.00 0.41 -0.36 0.00 0.00 175.35 176.51 3fek n GLY 102 N 2.26 -1.64 3.21 5.54 0.00 -1.26 -4.98 105.19 108.32 3fek n GLY 102 Ca -0.16 -1.33 -0.12 0.00 0.00 0.00 0.00 46.02 44.41 3fek n GLY 102 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3fek s GLU 103 N 0.00 1.06 0.00 1.61 2.02 -1.26 -4.78 118.70 117.34 3fek s GLU 103 Ca 0.00 -1.51 0.00 0.00 0.02 0.00 0.00 54.97 53.48 3fek s GLU 103 Cb 0.00 -0.06 0.00 0.00 0.10 0.00 0.00 34.13 34.17 3fek s GLU 103 CO 0.00 -0.20 0.00 0.41 0.02 0.00 0.00 175.26 175.49 3fek n GLY 104 N -0.20 -1.18 3.76 -1.39 0.00 -1.26 -5.11 105.19 99.82 3fek n GLY 104 Ca -0.06 -0.98 -0.38 0.00 0.00 0.00 0.00 46.02 44.61 3fek n GLY 104 CO 0.00 0.00 0.00 -4.14 0.00 0.00 0.00 173.32 169.18 3fek s PRO 105 N -1.58 3.31 0.11 1.61 0.02 -1.26 -4.93 135.00 132.28 3fek s PRO 105 Ca 0.00 2.01 -0.31 0.00 0.02 0.00 0.00 61.00 62.72 3fek s PRO 105 Cb 0.00 -2.25 -0.09 0.00 0.02 0.00 0.00 34.50 32.18 3fek s PRO 105 CO 0.00 -0.98 1.64 0.15 -0.33 0.00 0.00 177.00 177.47 3fek s LYS 106 N -2.91 4.20 0.06 5.54 1.02 -1.26 -4.96 119.74 121.43 3fek s LYS 106 Ca 0.70 2.36 0.08 0.00 0.02 0.00 0.00 55.97 59.14 3fek s LYS 106 Cb -0.35 -3.44 -0.03 0.00 -0.52 0.00 0.00 37.83 33.50 3fek s LYS 106 CO 0.41 -0.70 -0.23 0.95 -0.92 0.00 0.00 175.35 174.86 3fek s THR 107 N 2.11 1.86 0.27 2.17 -4.23 -1.26 -3.83 115.64 112.72 3fek s THR 107 Ca 0.73 -1.36 -0.12 0.00 -1.18 0.00 0.00 61.69 59.77 3fek s THR 107 Cb -0.42 -1.62 -0.00 0.00 1.34 0.00 0.00 72.50 71.80 3fek s THR 107 CO 0.32 0.20 0.49 -0.94 -0.54 0.00 0.00 174.62 174.15 3fek s SER 108 N -1.39 0.05 0.11 3.99 1.04 -0.96 -3.08 113.70 113.46 3fek s SER 108 Ca 0.09 -1.02 -0.11 0.00 0.48 0.00 0.00 55.95 55.39 3fek s SER 108 Cb -0.09 0.61 0.01 0.00 0.10 0.00 0.00 66.02 66.65 3fek s SER 108 CO 0.03 -1.19 0.27 -1.66 0.98 0.00 0.00 173.24 171.66 3fek s TRP 109 N -3.80 0.04 0.07 5.02 1.48 -0.83 -1.59 118.94 119.33 3fek s TRP 109 Ca 0.23 -0.43 0.01 0.00 -1.06 0.00 0.00 56.10 54.85 3fek s TRP 109 Cb -0.01 0.05 -0.04 0.00 -1.16 0.00 0.00 33.47 32.32 3fek s TRP 109 CO 0.11 -0.61 -0.05 0.95 -4.06 0.00 0.00 176.95 173.28 3fek s THR 110 N -3.85 0.48 -0.03 0.66 -4.23 0.16 -0.17 115.64 108.66 3fek s THR 110 Ca 0.05 -1.66 0.01 0.00 -1.18 0.00 0.00 61.69 58.91 3fek s THR 110 Cb 0.04 -1.32 0.02 0.00 1.34 0.00 0.00 72.50 72.58 3fek s THR 110 CO -0.11 -0.79 -0.04 -0.76 -0.54 0.00 0.00 174.62 172.38 3fek s LEU 111 N -2.61 1.49 -0.01 4.79 1.43 -0.85 -1.79 118.68 121.13 3fek s LEU 111 Ca 0.04 -0.10 0.03 0.00 -1.03 0.00 0.00 54.13 53.07 3fek s LEU 111 Cb 0.02 -0.35 -0.01 0.00 0.03 0.00 0.00 46.19 45.89 3fek s LEU 111 CO -0.05 -0.03 -0.09 -0.70 0.23 0.00 0.00 176.35 175.71 3fek s GLU 112 N 0.64 0.72 -0.32 1.70 2.12 0.14 -1.41 118.70 122.30 3fek s GLU 112 Ca -0.08 -0.31 -0.09 0.00 0.36 0.00 0.00 54.97 54.86 3fek s GLU 112 Cb -0.11 -0.70 0.00 0.00 0.26 0.00 0.00 34.13 33.59 3fek s GLU 112 CO -0.00 0.18 0.14 -1.17 -0.54 0.00 0.00 175.26 173.86 3fek s LEU 113 N -0.16 4.14 0.64 2.70 2.96 -0.42 -0.39 118.68 128.16 3fek s LEU 113 Ca 0.03 -0.67 -0.12 0.00 -0.22 0.00 0.00 54.13 53.14 3fek s LEU 113 Cb -0.04 -1.97 -0.02 0.00 0.50 0.00 0.00 46.19 44.67 3fek s LEU 113 CO -0.00 -0.23 1.05 0.42 -1.32 0.00 0.00 176.35 176.26 3fek s THR 114 N 1.56 4.15 0.42 3.68 -4.23 0.18 -4.85 115.64 116.56 3fek s THR 114 Ca 0.03 0.79 0.13 0.00 -1.18 0.00 0.00 61.69 61.46 3fek s THR 114 Cb -0.17 -3.51 0.33 0.00 1.34 0.00 0.00 72.50 70.48 3fek s THR 114 CO 0.05 -0.82 1.97 0.78 -0.54 0.00 0.00 174.62 176.06 3fek h ASN 115 N -0.26 0.42 0.63 3.99 4.21 -1.99 -0.28 115.58 122.30 3fek h ASN 115 Ca -0.45 0.01 0.00 0.00 1.21 0.00 0.00 56.30 57.07 3fek h ASN 115 Cb 1.21 -0.08 0.00 0.00 -1.12 0.00 0.00 38.32 38.33 3fek h ASN 115 CO 0.58 0.25 0.00 0.47 -1.29 0.00 0.00 177.43 177.44 3fek n ASP 116 N -4.48 0.00 0.00 5.81 8.00 -1.26 -4.90 116.55 119.72 3fek n ASP 116 Ca 0.11 0.35 0.00 0.00 0.71 0.00 0.00 54.79 55.96 3fek n ASP 116 Cb 0.37 -0.44 0.00 0.00 -0.02 0.00 0.00 41.12 41.03 3fek n ASP 116 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 3fek n GLY 117 N 0.61 0.94 3.91 0.44 0.00 -0.12 -5.09 105.19 105.89 3fek n GLY 117 Ca 0.06 -0.10 -0.28 0.00 0.00 0.00 0.00 46.02 45.70 3fek n GLY 117 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3fek s GLU 118 N -0.29 3.61 -0.22 1.61 2.02 -1.26 -4.30 118.70 119.87 3fek s GLU 118 Ca 0.00 -0.04 -0.06 0.00 0.02 0.00 0.00 54.97 54.89 3fek s GLU 118 Cb 0.00 -2.66 -0.03 0.00 0.10 0.00 0.00 34.13 31.55 3fek s GLU 118 CO 0.00 0.21 0.03 -1.17 0.02 0.00 0.00 175.26 174.35 3fek s LEU 119 N -3.63 3.33 -0.19 1.80 2.96 0.12 -0.64 118.68 122.43 3fek s LEU 119 Ca 0.43 -0.21 -0.06 0.00 -0.22 0.00 0.00 54.13 54.08 3fek s LEU 119 Cb -0.11 -1.87 -0.03 0.00 0.50 0.00 0.00 46.19 44.69 3fek s LEU 119 CO 0.31 0.02 0.03 -0.63 -1.32 0.00 0.00 176.35 174.76 3fek s ILE 120 N 1.27 4.32 -0.22 6.68 1.01 0.48 -0.87 121.20 133.87 3fek s ILE 120 Ca 0.04 -0.19 0.01 0.00 0.00 0.00 0.00 60.65 60.51 3fek s ILE 120 Cb -0.15 -2.95 0.03 0.00 0.01 0.00 0.00 42.46 39.40 3fek s ILE 120 CO 0.02 0.44 -0.14 -0.62 0.00 0.00 0.00 174.94 174.64 3fek s ASP 121 N 0.73 3.81 0.07 3.58 -1.08 0.14 -0.68 116.67 123.24 3fek s ASP 121 Ca 0.01 -0.89 0.09 0.00 -0.52 0.00 0.00 52.55 51.24 3fek s ASP 121 Cb -0.14 -1.55 -0.03 0.00 -1.46 0.00 0.00 42.92 39.73 3fek s ASP 121 CO 0.02 -0.08 -0.22 0.42 0.52 0.00 0.00 175.17 175.83 3fek s THR 122 N 1.26 2.53 -0.03 1.71 -4.23 -0.74 -0.67 115.64 115.47 3fek s THR 122 Ca 0.00 -1.41 0.01 0.00 -1.18 0.00 0.00 61.69 59.12 3fek s THR 122 Cb -0.16 -2.08 0.01 0.00 1.34 0.00 0.00 72.50 71.62 3fek s THR 122 CO -0.08 0.25 -0.05 -0.04 -0.54 0.00 0.00 174.62 174.16 3fek s MET 123 N -1.64 0.71 0.02 3.99 -1.94 -0.41 -0.66 119.30 119.37 3fek s MET 123 Ca 0.14 -0.14 0.04 0.00 -1.71 0.00 0.00 55.69 54.02 3fek s MET 123 Cb -0.10 -0.72 -0.02 0.00 2.01 0.00 0.00 34.83 36.00 3fek s MET 123 CO 0.05 -0.01 -0.12 0.95 -0.01 0.00 0.00 175.02 175.88 3fek s THR 124 N 0.56 0.97 -0.11 2.05 -4.23 -0.62 -0.57 115.64 113.70 3fek s THR 124 Ca -0.07 -0.79 -0.09 0.00 -1.18 0.00 0.00 61.69 59.55 3fek s THR 124 Cb -0.11 -0.87 0.03 0.00 1.34 0.00 0.00 72.50 72.90 3fek s THR 124 CO 0.00 0.07 0.28 0.00 -0.54 0.00 0.00 174.62 174.43 3fek s ALA 125 N -0.65 -0.69 0.00 3.99 0.00 -0.80 -2.25 121.76 121.35 3fek s ALA 125 Ca 0.02 0.84 0.00 0.00 0.00 0.00 0.00 51.96 52.82 3fek s ALA 125 Cb -0.07 -0.50 0.00 0.00 0.00 0.00 0.00 23.12 22.56 3fek s ALA 125 CO 0.01 -0.14 0.00 -0.25 0.00 0.00 0.00 175.76 175.37 3fek n ASP 126 N 3.14 0.00 -1.75 0.00 9.92 -1.25 -0.92 116.55 125.68 3fek n ASP 126 Ca -0.15 0.00 -0.03 0.00 -0.53 0.00 0.00 54.79 54.08 3fek n ASP 126 Cb 0.57 0.00 0.07 0.00 -0.64 0.00 0.00 41.12 41.13 3fek n ASP 126 CO 0.00 0.00 0.00 -0.90 0.13 0.00 0.00 177.20 176.43 3fek n ASP 127 N 9.17 2.29 -4.56 -2.24 5.75 -1.26 -5.01 116.55 120.69 3fek n ASP 127 Ca 0.00 -2.90 -0.35 0.00 -0.01 0.00 0.00 54.79 51.53 3fek n ASP 127 Cb 0.00 -0.41 -0.11 0.00 -1.03 0.00 0.00 41.12 39.57 3fek n ASP 127 CO 0.00 0.00 0.00 -0.69 -0.11 0.00 0.00 177.20 176.40 3fek s VAL 128 N -2.90 4.54 -0.24 2.12 1.01 -0.10 -5.09 120.40 119.74 3fek s VAL 128 Ca 0.37 -0.11 -0.04 0.00 0.00 0.00 0.00 61.98 62.20 3fek s VAL 128 Cb 0.37 -3.06 0.00 0.00 0.00 0.00 0.00 36.38 33.69 3fek s VAL 128 CO -0.06 0.43 -0.02 -0.69 0.00 0.00 0.00 175.10 174.76 3fek s VAL 129 N 0.75 3.42 -0.19 2.92 1.01 -1.26 -1.91 120.40 125.13 3fek s VAL 129 Ca 0.03 -0.65 -0.21 0.00 0.00 0.00 0.00 61.98 61.14 3fek s VAL 129 Cb -0.14 -2.64 -0.02 0.00 0.00 0.00 0.00 36.38 33.58 3fek s VAL 129 CO 0.02 0.29 0.66 0.00 0.00 0.00 0.00 175.10 176.07 3fek s THR 131 N 1.95 2.43 -0.02 0.00 2.01 -0.81 -1.29 115.64 119.90 3fek s THR 131 Ca 0.30 -0.91 0.05 0.00 0.31 0.00 0.00 61.69 61.45 3fek s THR 131 Cb -0.16 -1.95 -0.01 0.00 0.01 0.00 0.00 72.50 70.39 3fek s THR 131 CO 0.11 0.56 -0.18 -0.54 -0.69 0.00 0.00 174.62 173.87 3fek s LYS 132 N 0.10 1.58 -0.08 4.92 1.02 0.16 -1.12 119.74 126.31 3fek s LYS 132 Ca -0.10 -0.64 0.05 0.00 0.02 0.00 0.00 55.97 55.30 3fek s LYS 132 Cb -0.16 -1.47 -0.01 0.00 -0.52 0.00 0.00 37.83 35.67 3fek s LYS 132 CO 0.06 0.34 -0.22 0.08 -0.92 0.00 0.00 175.35 174.69 3fek s VAL 133 N -0.28 2.26 0.15 3.17 1.01 -0.23 -0.68 120.40 125.80 3fek s VAL 133 Ca 0.03 -0.98 0.08 0.00 0.00 0.00 0.00 61.98 61.11 3fek s VAL 133 Cb -0.08 -1.85 -0.04 0.00 0.00 0.00 0.00 36.38 34.40 3fek s VAL 133 CO 0.00 0.56 -0.17 -0.36 0.00 0.00 0.00 175.10 175.14 3fek s PHE 134 N 0.01 1.68 0.17 5.22 0.40 -0.05 -0.61 117.98 124.81 3fek s PHE 134 Ca -0.08 -0.50 0.11 0.00 -0.60 0.00 0.00 56.93 55.86 3fek s PHE 134 Cb -0.15 -0.85 -0.04 0.00 0.51 0.00 0.00 43.02 42.49 3fek s PHE 134 CO 0.05 0.27 -0.24 0.14 0.70 0.00 0.00 175.22 176.15 3fek s VAL 135 N -2.09 2.22 -0.07 -0.44 -7.23 -0.03 -0.70 120.40 112.06 3fek s VAL 135 Ca 0.14 -1.94 -0.30 0.00 -1.81 0.00 0.00 61.98 58.06 3fek s VAL 135 Cb -0.05 -2.03 -0.03 0.00 0.56 0.00 0.00 36.38 34.82 3fek s VAL 135 CO 0.05 -0.11 1.26 -0.13 -0.31 0.00 0.00 175.10 175.86 3fek s ARG 136 N -2.54 4.31 0.00 4.82 0.52 -1.26 -0.15 118.95 124.65 3fek s ARG 136 Ca 0.18 1.73 0.31 0.00 -0.52 0.00 0.00 55.73 57.43 3fek s ARG 136 Cb -0.08 -3.62 1.67 0.00 0.52 0.00 0.00 34.95 33.43 3fek s ARG 136 CO 0.08 -0.54 2.09 -1.91 0.02 0.00 0.00 175.30 175.05