#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3fa8 s ASN 2 N 0.00 3.42 0.00 3.54 3.84 -1.26 -5.00 114.94 119.48 3fa8 s ASN 2 Ca 0.00 -0.58 0.30 0.00 0.21 0.00 0.00 52.86 52.79 3fa8 s ASN 2 Cb 0.00 -1.54 1.51 0.00 -0.55 0.00 0.00 41.25 40.67 3fa8 s ASN 2 CO 0.00 0.01 2.00 0.49 -2.79 0.00 0.00 177.10 176.81 3fa8 n PHE 3 N 4.58 0.00 -2.20 0.43 3.01 -1.26 -4.94 117.46 117.09 3fa8 n PHE 3 Ca -0.20 -0.00 -0.38 0.00 1.01 0.00 0.00 57.45 57.88 3fa8 n PHE 3 Cb 0.50 0.00 -0.01 0.00 -0.01 0.00 0.00 39.48 39.97 3fa8 n PHE 3 CO 0.00 0.00 0.00 -1.12 1.01 0.00 0.00 176.76 176.65 3fa8 s SER 4 N -1.99 6.14 0.00 4.37 0.01 -1.26 -4.69 113.70 116.28 3fa8 s SER 4 Ca 0.43 2.39 0.00 0.00 1.31 0.00 0.00 55.95 60.08 3fa8 s SER 4 Cb 0.21 -2.61 0.00 0.00 0.21 0.00 0.00 66.02 63.83 3fa8 s SER 4 CO 0.35 -0.94 0.00 0.61 0.41 0.00 0.00 173.24 173.67 3fa8 n GLY 5 N 0.52 0.54 3.29 3.44 0.00 -0.21 -4.95 105.19 107.82 3fa8 n GLY 5 Ca 0.07 -1.53 -0.42 0.00 0.00 0.00 0.00 46.02 44.14 3fa8 n GLY 5 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 3fa8 s ASN 6 N 0.00 5.82 -0.14 1.61 0.01 -1.26 -1.03 114.94 119.95 3fa8 s ASN 6 Ca 0.00 -1.58 -0.12 0.00 -0.71 0.00 0.00 52.86 50.45 3fa8 s ASN 6 Cb 0.00 -2.06 -0.05 0.00 0.41 0.00 0.00 41.25 39.56 3fa8 s ASN 6 CO 0.00 -0.62 0.26 0.26 -1.51 0.00 0.00 177.10 175.49 3fa8 s TRP 7 N 1.48 3.51 -0.03 2.20 0.52 0.45 -0.72 118.94 126.35 3fa8 s TRP 7 Ca 0.04 0.60 0.06 0.00 0.02 0.00 0.00 56.10 56.82 3fa8 s TRP 7 Cb -0.25 -2.25 -0.02 0.00 -1.15 0.00 0.00 33.47 29.80 3fa8 s TRP 7 CO 0.03 0.37 -0.22 0.15 0.02 0.00 0.00 176.95 177.29 3fa8 s LYS 8 N 0.05 2.30 0.14 4.98 -0.14 0.19 -1.50 119.74 125.77 3fa8 s LYS 8 Ca 0.16 -0.85 -0.30 0.00 -1.36 0.00 0.00 55.97 53.62 3fa8 s LYS 8 Cb -0.13 -2.17 -0.07 0.00 -1.68 0.00 0.00 37.83 33.78 3fa8 s LYS 8 CO 0.04 0.56 1.14 -1.50 -0.76 0.00 0.00 175.35 174.83 3fa8 s ILE 9 N -0.59 3.89 0.00 2.17 2.07 -1.26 -1.35 121.20 126.14 3fa8 s ILE 9 Ca 0.09 1.54 0.00 0.00 -1.41 0.00 0.00 60.65 60.86 3fa8 s ILE 9 Cb -0.11 -3.98 0.00 0.00 0.13 0.00 0.00 42.46 38.50 3fa8 s ILE 9 CO 0.00 0.22 0.00 2.30 -1.91 0.00 0.00 174.94 175.55 3fa8 n ILE 10 N 2.83 0.00 -3.82 2.00 -5.35 0.52 -4.92 119.36 110.63 3fa8 n ILE 10 Ca 0.05 -0.16 -0.12 0.00 -0.27 0.00 0.00 62.75 62.24 3fa8 n ILE 10 Cb 0.46 0.65 -0.10 0.00 -1.74 0.00 0.00 39.64 38.90 3fa8 n ILE 10 CO 0.00 0.00 0.00 -0.13 -1.76 0.00 0.00 176.55 174.66 3fa8 s ARG 11 N -1.49 0.44 -0.10 6.28 1.81 -1.03 -4.96 118.95 119.89 3fa8 s ARG 11 Ca 0.00 -0.08 -0.05 0.00 -1.72 0.00 0.00 55.73 53.88 3fa8 s ARG 11 Cb 0.00 0.19 0.04 0.00 -0.45 0.00 0.00 34.95 34.74 3fa8 s ARG 11 CO 0.00 -0.10 0.24 0.45 -0.68 0.00 0.00 175.30 175.21 3fa8 s SER 12 N -0.79 -0.25 -0.06 0.23 0.15 -1.26 -1.35 113.70 110.36 3fa8 s SER 12 Ca -0.09 0.51 -0.00 0.00 0.70 0.00 0.00 55.95 57.07 3fa8 s SER 12 Cb -0.05 0.40 0.02 0.00 -1.71 0.00 0.00 66.02 64.69 3fa8 s SER 12 CO 0.02 -0.16 -0.02 -0.70 1.20 0.00 0.00 173.24 173.58 3fa8 s GLU 13 N 1.13 0.75 -0.23 5.44 2.56 0.10 -4.85 118.70 123.60 3fa8 s GLU 13 Ca -0.08 -0.01 0.00 0.00 0.00 0.00 0.00 54.97 54.88 3fa8 s GLU 13 Cb -0.09 -0.93 0.00 0.00 2.00 0.00 0.00 34.13 35.11 3fa8 s GLU 13 CO -0.07 -0.19 0.00 -1.71 -0.56 0.00 0.00 175.26 172.72 3fa8 n ASN 14 N 4.60 -3.70 -0.03 -1.70 5.15 -1.26 -1.96 115.26 116.35 3fa8 n ASN 14 Ca -0.16 0.05 -0.13 0.00 -0.60 0.00 0.00 54.58 53.74 3fa8 n ASN 14 Cb 0.50 -1.39 -0.09 0.00 -0.53 0.00 0.00 39.78 38.27 3fa8 n ASN 14 CO 0.00 0.00 0.00 0.15 1.40 0.00 0.00 177.26 178.81 3fa8 h PHE 15 N 0.00 0.19 -0.70 1.20 3.57 -1.90 -1.09 116.94 118.21 3fa8 h PHE 15 Ca -0.04 -0.06 -0.06 0.00 3.53 0.00 0.00 57.97 61.33 3fa8 h PHE 15 Cb 0.29 -0.04 -0.03 0.00 2.79 0.00 0.00 35.95 38.96 3fa8 h PHE 15 CO 0.15 0.65 0.21 1.49 -2.23 0.00 0.00 178.31 178.59 3fa8 h GLU 16 N -0.33 1.09 -0.57 1.11 4.81 -1.92 -1.54 114.58 117.23 3fa8 h GLU 16 Ca 0.01 -0.23 -0.10 0.00 -0.13 0.00 0.00 59.36 58.91 3fa8 h GLU 16 Cb 0.63 -0.16 -0.02 0.00 0.63 0.00 0.00 28.75 29.83 3fa8 h GLU 16 CO 0.02 0.93 -0.02 0.93 -0.73 0.00 0.00 179.01 180.14 3fa8 h GLU 17 N 1.04 1.01 -0.21 1.92 3.07 -1.97 0.91 114.58 120.35 3fa8 h GLU 17 Ca 0.23 -0.32 0.01 0.00 -0.50 0.00 0.00 59.36 58.78 3fa8 h GLU 17 Cb 0.31 -0.09 -0.02 0.00 -0.84 0.00 0.00 28.75 28.11 3fa8 h GLU 17 CO -0.01 1.00 0.11 1.25 -1.40 0.00 0.00 179.01 179.96 3fa8 h LEU 18 N 0.92 0.16 -0.98 1.33 5.85 -0.92 -1.51 115.31 120.16 3fa8 h LEU 18 Ca 0.16 0.01 -0.00 0.00 0.84 0.00 0.00 57.88 58.89 3fa8 h LEU 18 Cb 0.57 -0.02 -0.05 0.00 0.37 0.00 0.00 40.66 41.52 3fa8 h LEU 18 CO 0.03 0.13 0.59 -0.07 -0.34 0.00 0.00 178.44 178.78 3fa8 h LEU 19 N 0.23 1.13 -0.54 2.25 3.38 -0.89 -2.35 115.31 118.52 3fa8 h LEU 19 Ca 0.08 -0.06 0.03 0.00 0.09 0.00 0.00 57.88 58.03 3fa8 h LEU 19 Cb 0.02 -0.29 -0.04 0.00 0.09 0.00 0.00 40.66 40.44 3fa8 h LEU 19 CO -0.05 0.85 0.31 0.50 0.09 0.00 0.00 178.44 180.14 3fa8 h LYS 20 N 1.31 0.58 0.00 1.13 3.64 -0.41 -1.89 116.57 120.93 3fa8 h LYS 20 Ca 0.34 -0.03 0.00 0.00 -1.27 0.00 0.00 60.65 59.69 3fa8 h LYS 20 Cb -0.08 -0.13 0.00 0.00 -0.41 0.00 0.00 32.23 31.61 3fa8 h LYS 20 CO -0.07 0.38 0.00 -0.39 -2.27 0.00 0.00 179.45 177.11 3fa8 h VAL 21 N 0.60 0.00 -0.00 2.00 -1.51 -0.93 -2.34 116.25 114.07 3fa8 h VAL 21 Ca 0.22 -0.48 0.00 0.00 -1.23 0.00 0.00 66.70 65.22 3fa8 h VAL 21 Cb 0.07 1.39 0.00 0.00 -2.13 0.00 0.00 31.29 30.62 3fa8 h VAL 21 CO -0.12 0.00 -0.09 0.18 -1.23 0.00 0.00 177.57 176.31 3fa8 n LEU 22 N -2.55 0.24 0.00 4.19 4.77 -0.90 -4.93 117.00 117.82 3fa8 n LEU 22 Ca 0.03 0.18 0.00 0.00 -0.03 0.00 0.00 56.01 56.20 3fa8 n LEU 22 Cb 0.35 -0.28 0.00 0.00 -2.33 0.00 0.00 43.42 41.16 3fa8 n LEU 22 CO 0.27 0.05 0.00 0.61 -1.33 0.00 0.00 177.39 176.98 3fa8 n GLY 23 N 1.34 0.82 3.73 -0.72 0.00 -0.88 -5.05 105.19 104.43 3fa8 n GLY 23 Ca 0.12 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.72 3fa8 n GLY 23 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3fa8 s VAL 24 N -2.04 3.01 0.70 1.61 1.01 -0.76 -4.96 120.40 118.96 3fa8 s VAL 24 Ca 0.00 0.76 -0.13 0.00 0.00 0.00 0.00 61.98 62.61 3fa8 s VAL 24 Cb 0.00 -3.49 0.02 0.00 0.00 0.00 0.00 36.38 32.92 3fa8 s VAL 24 CO 0.00 0.08 1.11 0.54 0.00 0.00 0.00 175.10 176.83 3fa8 s ASN 25 N 0.84 4.84 0.41 3.32 2.20 -1.26 -4.61 114.94 120.68 3fa8 s ASN 25 Ca 0.63 1.95 0.08 0.00 -0.94 0.00 0.00 52.86 54.59 3fa8 s ASN 25 Cb -0.39 -2.54 0.87 0.00 -2.00 0.00 0.00 41.25 37.18 3fa8 s ASN 25 CO 0.34 -1.81 2.02 1.62 -2.94 0.00 0.00 177.10 176.33 3fa8 h VAL 26 N -0.42 1.12 0.00 3.54 3.04 -2.00 -1.97 116.25 119.57 3fa8 h VAL 26 Ca -0.46 -0.37 -0.00 0.00 -1.01 0.00 0.00 66.70 64.86 3fa8 h VAL 26 Cb 1.24 0.79 0.00 0.00 -2.01 0.00 0.00 31.29 31.31 3fa8 h VAL 26 CO 0.53 0.14 -0.00 0.24 -1.01 0.00 0.00 177.57 177.47 3fa8 h MET 27 N 0.40 -0.00 -0.24 4.17 2.86 -2.00 -1.92 114.93 118.19 3fa8 h MET 27 Ca 0.10 0.00 -0.09 0.00 -2.06 0.00 0.00 59.70 57.65 3fa8 h MET 27 Cb 0.09 0.00 -0.01 0.00 0.06 0.00 0.00 31.60 31.74 3fa8 h MET 27 CO -0.01 0.02 -0.23 -0.07 1.06 0.00 0.00 176.91 177.68 3fa8 h LEU 28 N -0.02 0.45 -0.17 1.22 3.38 -1.79 -2.11 115.31 116.27 3fa8 h LEU 28 Ca -0.00 -0.14 -0.02 0.00 0.09 0.00 0.00 57.88 57.81 3fa8 h LEU 28 Cb 0.02 -0.12 -0.01 0.00 0.09 0.00 0.00 40.66 40.64 3fa8 h LEU 28 CO 0.00 0.69 0.05 0.03 0.09 0.00 0.00 178.44 179.29 3fa8 h ARG 29 N 0.41 0.27 -0.75 1.13 3.08 -1.21 0.58 114.38 117.89 3fa8 h ARG 29 Ca 0.06 -0.06 -0.06 0.00 0.07 0.00 0.00 59.98 59.99 3fa8 h ARG 29 Cb 0.63 -0.04 -0.03 0.00 0.08 0.00 0.00 29.97 30.61 3fa8 h ARG 29 CO 0.04 0.40 0.22 0.87 -1.07 0.00 0.00 179.97 180.44 3fa8 h LYS 30 N 0.09 1.17 -0.23 0.04 1.79 -1.23 -1.47 116.57 116.73 3fa8 h LYS 30 Ca 0.05 -0.26 0.01 0.00 -2.18 0.00 0.00 60.65 58.27 3fa8 h LYS 30 Cb 0.25 -0.17 -0.01 0.00 -1.58 0.00 0.00 32.23 30.72 3fa8 h LYS 30 CO -0.00 1.00 0.13 0.82 -1.08 0.00 0.00 179.45 180.32 3fa8 h ILE 31 N 1.12 1.03 -0.02 1.86 2.04 -1.30 -1.71 117.51 120.53 3fa8 h ILE 31 Ca 0.24 -0.09 0.01 0.00 1.00 0.00 0.00 64.86 66.01 3fa8 h ILE 31 Cb 0.33 0.73 -0.00 0.00 -0.74 0.00 0.00 36.82 37.13 3fa8 h ILE 31 CO -0.01 0.05 0.02 0.00 0.00 0.00 0.00 178.15 178.21 3fa8 h ALA 32 N 1.10 1.79 -0.06 1.87 0.00 0.11 -1.89 119.26 122.18 3fa8 h ALA 32 Ca 0.09 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.00 3fa8 h ALA 32 Cb -0.00 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.79 3fa8 h ALA 32 CO -0.04 -0.03 0.00 1.33 0.00 0.00 0.00 179.25 180.51 3fa8 n VAL 33 N -4.20 0.05 -1.60 0.00 0.24 -0.72 -4.75 118.33 107.36 3fa8 n VAL 33 Ca -0.03 -0.53 -0.33 0.00 -2.04 0.00 0.00 64.34 61.41 3fa8 n VAL 33 Cb 0.11 1.40 0.07 0.00 -1.47 0.00 0.00 33.84 33.95 3fa8 n VAL 33 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 3fa8 s ALA 34 N -1.76 2.30 0.30 2.33 0.00 -0.66 -4.90 121.76 119.37 3fa8 s ALA 34 Ca 0.26 0.69 0.05 0.00 0.00 0.00 0.00 51.96 52.97 3fa8 s ALA 34 Cb 0.18 -3.39 0.74 0.00 0.00 0.00 0.00 23.12 20.66 3fa8 s ALA 34 CO 0.27 -1.56 1.75 0.00 0.00 0.00 0.00 175.76 176.22 3fa8 h ALA 35 N -0.15 1.62 0.00 0.00 0.00 -1.91 -0.32 119.26 118.50 3fa8 h ALA 35 Ca -0.47 0.10 0.00 0.00 0.00 0.00 0.00 54.91 54.54 3fa8 h ALA 35 Cb 1.27 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 19.03 3fa8 h ALA 35 CO 0.52 -0.13 0.00 0.00 0.00 0.00 0.00 179.25 179.63 3fa8 h ALA 36 N 1.66 1.00 -0.45 0.00 0.00 -1.90 -2.10 119.26 117.46 3fa8 h ALA 36 Ca 0.58 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.49 3fa8 h ALA 36 Cb 0.95 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.74 3fa8 h ALA 36 CO -0.42 0.00 0.00 0.43 0.00 0.00 0.00 179.25 179.26 3fa8 n SER 37 N -2.47 3.33 -4.70 0.00 7.64 -0.14 -2.39 113.62 114.89 3fa8 n SER 37 Ca 0.00 -1.95 -0.42 0.00 1.01 0.00 0.00 58.87 57.52 3fa8 n SER 37 Cb 0.18 -0.30 -0.03 0.00 -1.01 0.00 0.00 64.21 63.05 3fa8 n SER 37 CO 0.00 0.00 0.00 -0.75 -3.01 0.00 0.00 175.04 171.28 3fa8 s LYS 38 N -1.15 4.13 0.06 1.43 2.20 -0.79 -4.88 119.74 120.74 3fa8 s LYS 38 Ca 0.35 2.60 -0.28 0.00 -0.36 0.00 0.00 55.97 58.29 3fa8 s LYS 38 Cb 0.19 -3.45 -0.05 0.00 -1.51 0.00 0.00 37.83 33.02 3fa8 s LYS 38 CO 0.26 -0.82 0.88 -1.25 -0.36 0.00 0.00 175.35 174.06 3fa8 s PRO 39 N 2.30 4.59 -0.13 4.03 0.04 -1.26 -4.48 135.00 140.09 3fa8 s PRO 39 Ca 0.79 1.27 -0.05 0.00 0.04 0.00 0.00 61.00 63.06 3fa8 s PRO 39 Cb -0.47 -3.39 -0.04 0.00 0.04 0.00 0.00 34.50 30.65 3fa8 s PRO 39 CO 0.35 0.20 0.05 0.00 0.04 0.00 0.00 177.00 177.64 3fa8 s ALA 40 N 0.15 3.42 -0.16 8.56 0.00 0.09 -3.97 121.76 129.86 3fa8 s ALA 40 Ca 0.44 -0.75 0.00 0.00 0.00 0.00 0.00 51.96 51.65 3fa8 s ALA 40 Cb -0.22 -1.75 0.02 0.00 0.00 0.00 0.00 23.12 21.18 3fa8 s ALA 40 CO 0.26 0.41 -0.15 0.08 0.00 0.00 0.00 175.76 176.36 3fa8 s VAL 41 N -0.35 1.68 -0.23 0.00 1.01 -0.56 -0.72 120.40 121.23 3fa8 s VAL 41 Ca 0.08 -0.71 -0.08 0.00 0.00 0.00 0.00 61.98 61.27 3fa8 s VAL 41 Cb -0.12 -1.57 -0.04 0.00 0.00 0.00 0.00 36.38 34.65 3fa8 s VAL 41 CO 0.02 0.47 0.10 -0.70 0.00 0.00 0.00 175.10 174.99 3fa8 s GLU 42 N 1.44 3.86 -0.06 2.72 2.12 0.12 -0.41 118.70 128.50 3fa8 s GLU 42 Ca 0.05 -0.38 0.05 0.00 0.36 0.00 0.00 54.97 55.05 3fa8 s GLU 42 Cb -0.13 -3.38 -0.01 0.00 0.26 0.00 0.00 34.13 30.87 3fa8 s GLU 42 CO -0.11 -0.01 -0.23 0.42 -0.54 0.00 0.00 175.26 174.79 3fa8 s ILE 43 N 1.18 1.90 -0.23 -3.70 1.01 -0.20 -0.67 121.20 120.49 3fa8 s ILE 43 Ca 0.05 -0.98 0.02 0.00 0.00 0.00 0.00 60.65 59.75 3fa8 s ILE 43 Cb -0.14 -1.62 0.05 0.00 0.01 0.00 0.00 42.46 40.76 3fa8 s ILE 43 CO 0.04 0.53 -0.14 -0.75 0.00 0.00 0.00 174.94 174.63 3fa8 s LYS 44 N -0.07 2.44 -0.18 2.79 2.20 -0.01 -1.04 119.74 125.88 3fa8 s LYS 44 Ca -0.05 -1.17 -0.07 0.00 -0.36 0.00 0.00 55.97 54.32 3fa8 s LYS 44 Cb -0.14 -2.77 -0.04 0.00 -1.51 0.00 0.00 37.83 33.37 3fa8 s LYS 44 CO 0.04 -0.46 0.04 -1.14 -0.36 0.00 0.00 175.35 173.47 3fa8 s GLN 45 N 1.17 3.92 -0.43 4.03 0.74 -1.26 -1.70 119.66 126.12 3fa8 s GLN 45 Ca -0.05 -0.38 0.02 0.00 0.05 0.00 0.00 55.36 55.01 3fa8 s GLN 45 Cb -0.18 -3.16 0.13 0.00 1.10 0.00 0.00 33.01 30.90 3fa8 s GLN 45 CO -0.08 0.27 0.22 -1.21 -0.55 0.00 0.00 175.29 173.94 3fa8 s GLU 46 N 0.37 1.32 7.77 1.67 2.02 0.31 -4.86 118.70 127.30 3fa8 s GLU 46 Ca 0.02 -1.99 0.00 0.00 0.02 0.00 0.00 54.97 53.02 3fa8 s GLU 46 Cb -0.13 -2.44 0.00 0.00 0.10 0.00 0.00 34.13 31.67 3fa8 s GLU 46 CO 0.01 -1.14 0.00 0.41 0.02 0.00 0.00 175.26 174.56 3fa8 n GLY 47 N 3.62 3.61 0.51 -1.39 0.00 -1.26 -1.71 105.19 108.57 3fa8 n GLY 47 Ca 0.07 0.04 0.14 0.00 0.00 0.00 0.00 46.02 46.27 3fa8 n GLY 47 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 3fa8 n ASP 48 N 9.29 1.61 -4.70 1.61 8.00 -1.26 -4.86 116.55 126.24 3fa8 n ASP 48 Ca 0.00 -1.52 -0.36 0.00 0.71 0.00 0.00 54.79 53.62 3fa8 n ASP 48 Cb 0.00 0.01 -0.08 0.00 -0.02 0.00 0.00 41.12 41.03 3fa8 n ASP 48 CO 0.00 0.00 0.00 -0.89 -0.39 0.00 0.00 177.20 175.92 3fa8 s THR 49 N -2.02 5.32 -0.02 -3.53 2.01 -0.70 -1.01 115.64 115.70 3fa8 s THR 49 Ca 0.37 0.41 0.08 0.00 0.31 0.00 0.00 61.69 62.85 3fa8 s THR 49 Cb 0.21 -3.58 -0.02 0.00 0.01 0.00 0.00 72.50 69.12 3fa8 s THR 49 CO 0.34 0.36 -0.26 -0.36 -0.69 0.00 0.00 174.62 174.02 3fa8 s PHE 50 N 0.76 2.34 -0.14 4.92 0.40 0.70 -0.53 117.98 126.43 3fa8 s PHE 50 Ca 0.13 -0.43 0.02 0.00 -0.60 0.00 0.00 56.93 56.05 3fa8 s PHE 50 Cb -0.13 -1.51 0.01 0.00 0.51 0.00 0.00 43.02 41.91 3fa8 s PHE 50 CO 0.03 -0.03 -0.20 -0.47 0.70 0.00 0.00 175.22 175.25 3fa8 s TYR 51 N -0.61 2.51 -0.09 0.36 5.04 -0.69 -1.44 117.35 122.42 3fa8 s TYR 51 Ca 0.10 -1.28 0.00 0.00 -2.44 0.00 0.00 57.07 53.45 3fa8 s TYR 51 Cb -0.10 -1.73 0.02 0.00 0.35 0.00 0.00 41.96 40.50 3fa8 s TYR 51 CO -0.01 -0.60 -0.08 0.42 -1.34 0.00 0.00 175.55 173.94 3fa8 s ILE 52 N 0.92 0.96 -0.15 3.14 1.01 0.11 -0.83 121.20 126.36 3fa8 s ILE 52 Ca -0.05 -0.29 -0.00 0.00 0.00 0.00 0.00 60.65 60.31 3fa8 s ILE 52 Cb -0.15 -0.97 -0.01 0.00 0.01 0.00 0.00 42.46 41.34 3fa8 s ILE 52 CO -0.03 0.35 -0.13 -0.75 0.00 0.00 0.00 174.94 174.37 3fa8 s LYS 53 N 1.44 3.31 -0.17 2.79 2.20 0.15 -0.73 119.74 128.73 3fa8 s LYS 53 Ca -0.01 -0.71 -0.02 0.00 -0.36 0.00 0.00 55.97 54.87 3fa8 s LYS 53 Cb -0.13 -2.66 -0.02 0.00 -1.51 0.00 0.00 37.83 33.51 3fa8 s LYS 53 CO -0.05 0.09 -0.08 0.99 -0.36 0.00 0.00 175.35 175.94 3fa8 s THR 54 N 0.67 3.40 0.01 3.43 2.01 0.15 -0.70 115.64 124.61 3fa8 s THR 54 Ca -0.07 -0.52 0.05 0.00 0.31 0.00 0.00 61.69 61.46 3fa8 s THR 54 Cb -0.15 -2.48 -0.02 0.00 0.01 0.00 0.00 72.50 69.85 3fa8 s THR 54 CO 0.02 0.48 -0.15 -0.44 -0.69 0.00 0.00 174.62 173.85 3fa8 s SER 55 N 0.71 1.76 0.14 3.53 0.01 0.10 -1.42 113.70 118.54 3fa8 s SER 55 Ca -0.04 -0.36 0.01 0.00 1.31 0.00 0.00 55.95 56.87 3fa8 s SER 55 Cb -0.15 -0.16 -0.00 0.00 0.21 0.00 0.00 66.02 65.92 3fa8 s SER 55 CO 0.02 0.12 0.02 0.35 0.41 0.00 0.00 173.24 174.16 3fa8 n THR 56 N 2.32 0.00 0.28 1.44 -2.24 0.60 -0.73 114.28 115.95 3fa8 n THR 56 Ca -0.16 -0.72 0.15 0.00 -2.27 0.00 0.00 64.05 61.05 3fa8 n THR 56 Cb 0.55 0.20 0.83 0.00 -2.10 0.00 0.00 70.33 69.81 3fa8 n THR 56 CO 0.00 0.00 0.00 0.71 -0.57 0.00 0.00 175.07 175.21 3fa8 h THR 57 N 1.14 0.41 0.00 4.28 1.35 -1.73 -3.29 112.91 115.07 3fa8 h THR 57 Ca -0.11 -0.36 0.00 0.00 -0.55 0.00 0.00 66.41 65.38 3fa8 h THR 57 Cb 0.38 1.25 0.00 0.00 -1.73 0.00 0.00 68.15 68.05 3fa8 h THR 57 CO 0.19 0.07 -0.06 1.33 -0.25 0.00 0.00 175.52 176.79 3fa8 n VAL 58 N -3.53 0.00 -4.15 6.82 0.24 -1.26 -5.07 118.33 111.39 3fa8 n VAL 58 Ca -0.02 -0.39 -0.15 0.00 -2.04 0.00 0.00 64.34 61.73 3fa8 n VAL 58 Cb 0.19 0.96 -0.11 0.00 -1.47 0.00 0.00 33.84 33.41 3fa8 n VAL 58 CO 0.00 0.00 0.00 -0.13 -2.14 0.00 0.00 176.83 174.56 3fa8 s ARG 59 N -0.91 0.77 -0.08 7.34 0.52 -1.24 -5.14 118.95 120.20 3fa8 s ARG 59 Ca 0.00 -1.01 -0.05 0.00 -0.52 0.00 0.00 55.73 54.15 3fa8 s ARG 59 Cb 0.00 -0.57 0.03 0.00 0.52 0.00 0.00 34.95 34.94 3fa8 s ARG 59 CO 0.00 0.10 0.19 0.99 0.02 0.00 0.00 175.30 176.60 3fa8 s THR 60 N -1.87 -0.03 0.02 0.02 2.01 -1.26 -0.29 115.64 114.25 3fa8 s THR 60 Ca -0.00 0.10 -0.01 0.00 0.31 0.00 0.00 61.69 62.09 3fa8 s THR 60 Cb -0.06 -0.29 -0.02 0.00 0.01 0.00 0.00 72.50 72.13 3fa8 s THR 60 CO 0.01 0.04 -0.02 0.42 -0.69 0.00 0.00 174.62 174.38 3fa8 s THR 61 N 0.79 0.13 -0.02 -0.82 -4.23 -0.51 -5.00 115.64 105.98 3fa8 s THR 61 Ca -0.06 -1.04 0.05 0.00 -1.18 0.00 0.00 61.69 59.47 3fa8 s THR 61 Cb -0.07 -0.47 -0.01 0.00 1.34 0.00 0.00 72.50 73.28 3fa8 s THR 61 CO -0.04 -0.57 -0.18 -1.61 -0.54 0.00 0.00 174.62 171.67 3fa8 s GLU 62 N -1.85 1.58 0.00 3.99 2.02 -1.26 -0.67 118.70 122.50 3fa8 s GLU 62 Ca -0.12 -0.65 0.05 0.00 0.02 0.00 0.00 54.97 54.27 3fa8 s GLU 62 Cb -0.07 -1.48 -0.02 0.00 0.10 0.00 0.00 34.13 32.66 3fa8 s GLU 62 CO -0.02 0.36 -0.17 0.42 0.02 0.00 0.00 175.26 175.86 3fa8 s ILE 63 N -0.31 1.36 -0.08 -1.63 1.01 0.09 -4.99 121.20 116.66 3fa8 s ILE 63 Ca 0.04 -0.82 0.03 0.00 0.00 0.00 0.00 60.65 59.91 3fa8 s ILE 63 Cb -0.08 -1.15 0.00 0.00 0.01 0.00 0.00 42.46 41.24 3fa8 s ILE 63 CO 0.00 0.32 -0.19 0.20 0.00 0.00 0.00 174.94 175.27 3fa8 s ASN 64 N -0.58 2.46 0.12 3.58 0.01 -1.26 -0.71 114.94 118.56 3fa8 s ASN 64 Ca 0.06 -0.43 -0.13 0.00 -0.71 0.00 0.00 52.86 51.65 3fa8 s ASN 64 Cb -0.07 -1.07 0.02 0.00 0.41 0.00 0.00 41.25 40.54 3fa8 s ASN 64 CO -0.00 0.11 0.34 0.72 -1.51 0.00 0.00 177.10 176.76 3fa8 s PHE 65 N 0.42 -0.04 -0.05 2.20 -0.12 -0.52 -4.97 117.98 114.91 3fa8 s PHE 65 Ca -0.15 -0.32 0.07 0.00 -0.05 0.00 0.00 56.93 56.47 3fa8 s PHE 65 Cb -0.16 0.15 -0.01 0.00 -0.63 0.00 0.00 43.02 42.36 3fa8 s PHE 65 CO 0.06 -0.67 -0.25 0.21 -0.05 0.00 0.00 175.22 174.52 3fa8 s LYS 66 N -3.84 2.41 0.17 1.99 2.20 -1.26 -0.22 119.74 121.19 3fa8 s LYS 66 Ca 0.05 -0.91 -0.34 0.00 -0.36 0.00 0.00 55.97 54.42 3fa8 s LYS 66 Cb 0.03 -2.11 -0.14 0.00 -1.51 0.00 0.00 37.83 34.09 3fa8 s LYS 66 CO -0.10 0.43 1.53 0.28 -0.36 0.00 0.00 175.35 177.13 3fa8 n VAL 67 N 2.81 0.16 -0.28 4.02 0.31 -0.18 -1.64 118.33 123.53 3fa8 n VAL 67 Ca -0.17 -0.04 0.00 0.00 -0.01 0.00 0.00 64.34 64.12 3fa8 n VAL 67 Cb 0.52 -1.47 0.00 0.00 -0.91 0.00 0.00 33.84 31.97 3fa8 n VAL 67 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 3fa8 n GLY 68 N 3.14 1.08 3.32 2.92 0.00 0.25 -5.01 105.19 110.89 3fa8 n GLY 68 Ca 0.16 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.86 3fa8 n GLY 68 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3fa8 s GLU 69 N -0.50 3.28 0.39 1.61 2.02 -0.65 -4.98 118.70 119.87 3fa8 s GLU 69 Ca 0.00 -0.75 -0.26 0.00 0.02 0.00 0.00 54.97 53.98 3fa8 s GLU 69 Cb 0.00 -2.53 -0.09 0.00 0.10 0.00 0.00 34.13 31.61 3fa8 s GLU 69 CO 0.00 0.20 1.26 -1.21 0.02 0.00 0.00 175.26 175.53 3fa8 s GLU 70 N 0.35 4.05 0.25 1.61 2.02 -1.26 -4.56 118.70 121.17 3fa8 s GLU 70 Ca -0.13 2.07 -0.02 0.00 0.02 0.00 0.00 54.97 56.90 3fa8 s GLU 70 Cb -0.17 -2.78 -0.02 0.00 0.10 0.00 0.00 34.13 31.25 3fa8 s GLU 70 CO 0.07 -0.39 0.28 -0.59 0.02 0.00 0.00 175.26 174.65 3fa8 s PHE 71 N -1.28 1.08 -0.09 1.61 -0.71 -0.66 -4.97 117.98 112.95 3fa8 s PHE 71 Ca 0.56 -1.28 0.01 0.00 -1.04 0.00 0.00 56.93 55.18 3fa8 s PHE 71 Cb -0.36 -0.36 -0.02 0.00 -1.21 0.00 0.00 43.02 41.07 3fa8 s PHE 71 CO 0.46 -0.83 -0.10 -2.00 -1.34 0.00 0.00 175.22 171.41 3fa8 s GLU 72 N -3.84 2.94 0.00 1.99 2.12 -1.26 0.09 118.70 120.73 3fa8 s GLU 72 Ca 0.35 -0.62 0.00 0.00 0.36 0.00 0.00 54.97 55.05 3fa8 s GLU 72 Cb 0.04 -2.57 0.00 0.00 0.26 0.00 0.00 34.13 31.85 3fa8 s GLU 72 CO 0.15 0.49 0.00 -0.85 -0.54 0.00 0.00 175.26 174.51 3fa8 n GLU 73 N 2.73 0.00 -4.26 4.30 0.28 -0.44 -4.96 120.64 118.29 3fa8 n GLU 73 Ca -0.18 0.00 -0.22 0.00 -0.16 0.00 0.00 57.16 56.60 3fa8 n GLU 73 Cb 0.53 0.00 -0.12 0.00 1.43 0.00 0.00 31.44 33.27 3fa8 n GLU 73 CO 0.00 0.00 0.00 -0.65 -0.16 0.00 0.00 177.13 176.32 3fa8 s GLN 74 N 1.20 1.06 0.99 3.44 -0.21 -1.26 -0.73 119.66 124.15 3fa8 s GLN 74 Ca 0.00 -1.14 -0.14 0.00 0.02 0.00 0.00 55.36 54.10 3fa8 s GLN 74 Cb 0.00 -1.23 0.18 0.00 1.00 0.00 0.00 33.01 32.96 3fa8 s GLN 74 CO 0.00 0.28 1.15 0.95 -2.12 0.00 0.00 175.29 175.55 3fa8 s THR 75 N -1.32 1.93 0.49 -0.19 -4.23 0.34 -4.83 115.64 107.83 3fa8 s THR 75 Ca 0.05 0.00 0.24 0.00 -1.18 0.00 0.00 61.69 60.80 3fa8 s THR 75 Cb -0.09 -2.69 0.41 0.00 1.34 0.00 0.00 72.50 71.46 3fa8 s THR 75 CO 0.04 0.00 1.92 1.62 -0.54 0.00 0.00 174.62 177.66 3fa8 h VAL 76 N -1.78 0.69 -0.83 2.29 3.04 -1.98 0.14 116.25 117.82 3fa8 h VAL 76 Ca -0.49 -0.06 -0.54 0.00 -1.01 0.00 0.00 66.70 64.60 3fa8 h VAL 76 Cb 1.31 0.51 -0.29 0.00 -2.01 0.00 0.00 31.29 30.81 3fa8 h VAL 76 CO 0.53 0.03 0.27 -0.90 -1.01 0.00 0.00 177.57 176.49 3fa8 n ASP 77 N -4.39 5.52 0.00 3.17 5.75 -1.26 -4.97 116.55 120.37 3fa8 n ASP 77 Ca 0.15 -3.76 0.00 0.00 -0.01 0.00 0.00 54.79 51.17 3fa8 n ASP 77 Cb 0.71 -0.75 0.00 0.00 -1.03 0.00 0.00 41.12 40.05 3fa8 n ASP 77 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 3fa8 n GLY 78 N -0.94 0.35 3.75 6.12 0.00 0.50 -5.02 105.19 109.95 3fa8 n GLY 78 Ca 0.53 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 46.16 3fa8 n GLY 78 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3fa8 s ARG 79 N -0.59 4.32 0.40 1.61 0.52 -1.26 -4.71 118.95 119.24 3fa8 s ARG 79 Ca 0.00 0.68 -0.27 0.00 -0.52 0.00 0.00 55.73 55.63 3fa8 s ARG 79 Cb 0.00 -3.37 -0.10 0.00 0.52 0.00 0.00 34.95 32.00 3fa8 s ARG 79 CO 0.00 0.30 1.40 -2.30 0.02 0.00 0.00 175.30 174.72 3fa8 n PRO 80 N 3.01 2.33 -3.86 3.54 -0.02 -1.26 -0.50 135.00 138.25 3fa8 n PRO 80 Ca -0.06 0.82 -0.09 0.00 -2.02 0.00 0.00 63.50 62.14 3fa8 n PRO 80 Cb 0.51 -2.54 -0.08 0.00 -0.02 0.00 0.00 33.50 31.37 3fa8 n PRO 80 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3fa8 s LYS 82 N -3.32 4.08 0.18 0.00 2.20 0.07 -1.33 119.74 121.62 3fa8 s LYS 82 Ca 0.01 0.17 0.09 0.00 -0.36 0.00 0.00 55.97 55.88 3fa8 s LYS 82 Cb 0.02 -3.35 -0.04 0.00 -1.51 0.00 0.00 37.83 32.95 3fa8 s LYS 82 CO -0.08 0.41 -0.18 -1.12 -0.36 0.00 0.00 175.35 174.02 3fa8 s SER 83 N -0.07 2.76 -0.15 1.43 0.01 0.11 -1.01 113.70 116.78 3fa8 s SER 83 Ca 0.19 -0.91 -0.07 0.00 1.31 0.00 0.00 55.95 56.47 3fa8 s SER 83 Cb -0.14 -0.17 0.06 0.00 0.21 0.00 0.00 66.02 65.99 3fa8 s SER 83 CO 0.07 -0.05 0.34 -0.22 0.41 0.00 0.00 173.24 173.78 3fa8 s LEU 84 N -2.87 -0.15 -0.05 2.44 2.96 -0.74 -1.66 118.68 118.61 3fa8 s LEU 84 Ca 0.18 0.75 -0.02 0.00 -0.22 0.00 0.00 54.13 54.83 3fa8 s LEU 84 Cb -0.05 1.04 -0.04 0.00 0.50 0.00 0.00 46.19 47.65 3fa8 s LEU 84 CO 0.07 -0.21 0.06 -0.69 -1.32 0.00 0.00 176.35 174.27 3fa8 s VAL 85 N 1.89 4.69 0.10 1.68 1.01 -1.26 -2.10 120.40 126.41 3fa8 s VAL 85 Ca -0.05 -0.27 0.03 0.00 0.00 0.00 0.00 61.98 61.69 3fa8 s VAL 85 Cb -0.11 -3.07 -0.04 0.00 0.00 0.00 0.00 36.38 33.16 3fa8 s VAL 85 CO -0.11 0.47 -0.09 -1.59 0.00 0.00 0.00 175.10 173.79 3fa8 s LYS 86 N -1.35 0.83 -0.02 2.72 -2.85 -0.24 -0.59 119.74 118.24 3fa8 s LYS 86 Ca 0.18 -1.18 -0.28 0.00 -1.00 0.00 0.00 55.97 53.70 3fa8 s LYS 86 Cb -0.12 -0.45 -0.03 0.00 -2.06 0.00 0.00 37.83 35.17 3fa8 s LYS 86 CO 0.08 0.06 0.89 -1.58 0.10 0.00 0.00 175.35 174.90 3fa8 s TRP 87 N -2.64 3.63 -0.05 1.78 0.52 -1.26 -0.82 118.94 120.10 3fa8 s TRP 87 Ca 0.06 1.55 0.11 0.00 0.02 0.00 0.00 56.10 57.83 3fa8 s TRP 87 Cb -0.01 -3.01 -0.23 0.00 -1.15 0.00 0.00 33.47 29.06 3fa8 s TRP 87 CO -0.01 0.02 0.65 1.49 0.02 0.00 0.00 176.95 179.13 3fa8 h GLU 88 N 6.79 0.02 -3.38 4.98 4.81 -1.34 -3.47 114.58 122.99 3fa8 h GLU 88 Ca -0.41 -0.04 -0.11 0.00 -0.13 0.00 0.00 59.36 58.67 3fa8 h GLU 88 Cb 1.21 0.02 -0.02 0.00 0.63 0.00 0.00 28.75 30.59 3fa8 h GLU 88 CO 0.75 0.57 0.12 -1.54 -0.73 0.00 0.00 179.01 178.18 3fa8 s SER 89 N -6.19 0.35 0.48 1.04 1.04 -1.07 -4.98 113.70 104.36 3fa8 s SER 89 Ca -0.06 -1.29 0.22 0.00 0.48 0.00 0.00 55.95 55.29 3fa8 s SER 89 Cb 0.08 0.80 1.24 0.00 0.10 0.00 0.00 66.02 68.23 3fa8 s SER 89 CO 0.82 -1.58 1.93 -0.08 0.98 0.00 0.00 173.24 175.31 3fa8 h GLU 90 N 2.03 0.21 -0.23 4.02 4.81 -2.02 -2.89 114.58 120.51 3fa8 h GLU 90 Ca -0.31 -0.01 0.00 0.00 -0.13 0.00 0.00 59.36 58.90 3fa8 h GLU 90 Cb 1.25 -0.05 0.00 0.00 0.63 0.00 0.00 28.75 30.58 3fa8 h GLU 90 CO 0.40 0.14 0.00 0.09 -0.73 0.00 0.00 179.01 178.91 3fa8 n ASN 91 N -4.42 2.64 -3.74 1.04 3.02 -1.26 -4.91 115.26 107.63 3fa8 n ASN 91 Ca 0.14 -2.02 -0.14 0.00 -0.03 0.00 0.00 54.58 52.53 3fa8 n ASN 91 Cb 0.65 -0.16 -0.14 0.00 -0.61 0.00 0.00 39.78 39.51 3fa8 n ASN 91 CO 0.00 0.00 0.00 -0.75 -2.62 0.00 0.00 177.26 173.89 3fa8 s LYS 92 N -1.04 0.10 0.11 3.52 2.20 -1.09 -1.69 119.74 121.84 3fa8 s LYS 92 Ca 0.16 0.39 0.08 0.00 -0.36 0.00 0.00 55.97 56.23 3fa8 s LYS 92 Cb 0.09 -0.18 -0.04 0.00 -1.51 0.00 0.00 37.83 36.18 3fa8 s LYS 92 CO 0.10 -0.17 -0.13 0.00 -0.36 0.00 0.00 175.35 174.79 3fa8 s MET 93 N 1.21 1.98 -0.02 4.03 0.23 -0.28 -0.86 119.30 125.59 3fa8 s MET 93 Ca -0.09 -1.09 0.03 0.00 -1.03 0.00 0.00 55.69 53.51 3fa8 s MET 93 Cb -0.12 -2.22 -0.00 0.00 -1.53 0.00 0.00 34.83 30.96 3fa8 s MET 93 CO -0.06 0.50 -0.11 0.14 -2.03 0.00 0.00 175.02 173.46 3fa8 s VAL 94 N -1.18 0.87 -0.12 5.16 -7.23 -0.00 -1.77 120.40 116.13 3fa8 s VAL 94 Ca 0.20 -0.44 0.03 0.00 -1.81 0.00 0.00 61.98 59.96 3fa8 s VAL 94 Cb -0.11 -0.76 0.01 0.00 0.56 0.00 0.00 36.38 36.09 3fa8 s VAL 94 CO 0.12 0.26 -0.20 0.00 -0.31 0.00 0.00 175.10 174.98 3fa8 s GLU 96 N 0.76 3.68 0.04 0.00 -1.05 -0.89 -1.66 118.70 119.58 3fa8 s GLU 96 Ca -0.10 -0.04 0.08 0.00 -0.15 0.00 0.00 54.97 54.77 3fa8 s GLU 96 Cb -0.16 -3.24 -0.03 0.00 -0.44 0.00 0.00 34.13 30.26 3fa8 s GLU 96 CO 0.01 0.66 -0.23 -0.65 0.95 0.00 0.00 175.26 176.00 3fa8 s GLN 97 N -0.74 1.93 -0.07 -4.83 -0.21 -1.11 -1.80 119.66 112.83 3fa8 s GLN 97 Ca 0.16 -1.05 0.00 0.00 0.02 0.00 0.00 55.36 54.49 3fa8 s GLN 97 Cb -0.13 -2.07 0.02 0.00 1.00 0.00 0.00 33.01 31.84 3fa8 s GLN 97 CO 0.05 0.53 -0.05 0.21 -2.12 0.00 0.00 175.29 173.90 3fa8 s LYS 98 N -1.29 1.01 0.48 2.91 2.20 -0.18 -4.58 119.74 120.29 3fa8 s LYS 98 Ca 0.13 -0.12 -0.24 0.00 -0.36 0.00 0.00 55.97 55.38 3fa8 s LYS 98 Cb -0.10 -1.08 -0.07 0.00 -1.51 0.00 0.00 37.83 35.07 3fa8 s LYS 98 CO 0.03 -0.15 1.36 -0.51 -0.36 0.00 0.00 175.35 175.71 3fa8 s LEU 99 N 1.29 4.02 0.14 5.43 1.43 -1.26 -0.75 118.68 128.97 3fa8 s LEU 99 Ca -0.05 2.76 -0.01 0.00 -1.03 0.00 0.00 54.13 55.81 3fa8 s LEU 99 Cb -0.14 -4.09 -0.09 0.00 0.03 0.00 0.00 46.19 41.90 3fa8 s LEU 99 CO -0.02 -1.26 1.31 -0.07 0.23 0.00 0.00 176.35 176.54 3fa8 h LEU 100 N 2.02 0.37 -7.69 1.79 3.38 -1.78 -3.45 115.31 109.95 3fa8 h LEU 100 Ca -0.51 -0.32 -0.35 0.00 0.09 0.00 0.00 57.88 56.80 3fa8 h LEU 100 Cb 1.27 -0.11 -0.33 0.00 0.09 0.00 0.00 40.66 41.58 3fa8 h LEU 100 CO 0.60 1.14 -0.75 -0.54 0.09 0.00 0.00 178.44 178.98 3fa8 s LYS 101 N -3.12 0.42 1.77 1.13 1.02 -1.26 -5.10 119.74 114.60 3fa8 s LYS 101 Ca -0.04 -0.01 0.00 0.00 0.02 0.00 0.00 55.97 55.94 3fa8 s LYS 101 Cb 0.09 -0.53 0.00 0.00 -0.52 0.00 0.00 37.83 36.87 3fa8 s LYS 101 CO 0.85 -0.08 0.00 0.41 -0.92 0.00 0.00 175.35 175.61 3fa8 n GLY 102 N 3.89 -1.45 3.49 -3.33 0.00 -1.26 -4.98 105.19 101.55 3fa8 n GLY 102 Ca -0.24 -1.29 -0.24 0.00 0.00 0.00 0.00 46.02 44.25 3fa8 n GLY 102 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3fa8 s GLU 103 N 0.00 1.70 -0.01 1.61 0.41 -1.26 -4.83 118.70 116.32 3fa8 s GLU 103 Ca 0.00 -1.84 -0.17 0.00 -0.41 0.00 0.00 54.97 52.55 3fa8 s GLU 103 Cb 0.00 -1.60 0.06 0.00 -1.78 0.00 0.00 34.13 30.81 3fa8 s GLU 103 CO 0.00 0.19 0.79 0.41 -0.49 0.00 0.00 175.26 176.16 3fa8 n GLY 104 N -0.68 0.38 3.70 -1.39 0.00 -1.26 -5.12 105.19 100.83 3fa8 n GLY 104 Ca -0.05 -0.97 -0.36 0.00 0.00 0.00 0.00 46.02 44.64 3fa8 n GLY 104 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 3fa8 n PRO 105 N -0.57 0.81 -2.43 1.61 -0.02 -1.26 -4.94 135.00 128.20 3fa8 n PRO 105 Ca 0.03 0.34 -0.43 0.00 -2.02 0.00 0.00 63.50 61.42 3fa8 n PRO 105 Cb 0.36 -2.46 -0.02 0.00 -0.02 0.00 0.00 33.50 31.36 3fa8 n PRO 105 CO 0.00 0.00 0.00 0.21 1.98 0.00 0.00 175.50 177.69 3fa8 s LYS 106 N -3.51 4.11 0.09 -0.52 2.20 -1.26 -4.85 119.74 115.99 3fa8 s LYS 106 Ca 0.79 1.50 0.10 0.00 -0.36 0.00 0.00 55.97 58.00 3fa8 s LYS 106 Cb -0.36 -3.80 -0.03 0.00 -1.51 0.00 0.00 37.83 32.13 3fa8 s LYS 106 CO 0.44 -0.86 -0.27 0.95 -0.36 0.00 0.00 175.35 175.26 3fa8 s THR 107 N 3.82 2.21 0.28 3.43 -4.23 -1.26 -0.77 115.64 119.12 3fa8 s THR 107 Ca 0.55 -1.56 -0.16 0.00 -1.18 0.00 0.00 61.69 59.34 3fa8 s THR 107 Cb -0.20 -1.92 0.01 0.00 1.34 0.00 0.00 72.50 71.74 3fa8 s THR 107 CO 0.17 0.23 0.61 -0.94 -0.54 0.00 0.00 174.62 174.16 3fa8 s SER 108 N -1.63 -0.08 0.14 3.99 1.04 -0.79 -2.76 113.70 113.60 3fa8 s SER 108 Ca 0.13 -0.86 -0.10 0.00 0.48 0.00 0.00 55.95 55.60 3fa8 s SER 108 Cb -0.10 0.68 -0.00 0.00 0.10 0.00 0.00 66.02 66.70 3fa8 s SER 108 CO 0.04 -1.30 0.28 -1.66 0.98 0.00 0.00 173.24 171.58 3fa8 s TRP 109 N -3.71 0.24 0.05 5.02 1.48 -0.66 -1.48 118.94 119.87 3fa8 s TRP 109 Ca 0.17 -0.62 0.01 0.00 -1.06 0.00 0.00 56.10 54.60 3fa8 s TRP 109 Cb -0.03 -0.00 -0.03 0.00 -1.16 0.00 0.00 33.47 32.24 3fa8 s TRP 109 CO 0.09 -0.68 -0.05 0.95 -4.06 0.00 0.00 176.95 173.20 3fa8 s THR 110 N -3.92 0.41 -0.02 0.66 -4.23 -0.01 -0.64 115.64 107.89 3fa8 s THR 110 Ca 0.12 -1.35 0.02 0.00 -1.18 0.00 0.00 61.69 59.29 3fa8 s THR 110 Cb 0.03 -0.91 0.01 0.00 1.34 0.00 0.00 72.50 72.97 3fa8 s THR 110 CO -0.05 -0.63 -0.05 -0.76 -0.54 0.00 0.00 174.62 172.60 3fa8 s LEU 111 N -2.11 1.71 0.05 4.79 1.43 -0.73 -1.80 118.68 122.02 3fa8 s LEU 111 Ca -0.04 -0.11 -0.15 0.00 -1.03 0.00 0.00 54.13 52.80 3fa8 s LEU 111 Cb -0.03 -0.36 0.02 0.00 0.03 0.00 0.00 46.19 45.85 3fa8 s LEU 111 CO -0.03 0.02 0.33 -1.83 0.23 0.00 0.00 176.35 175.07 3fa8 s GLU 112 N 0.31 0.84 -0.07 1.70 -1.05 -0.39 -1.13 118.70 118.91 3fa8 s GLU 112 Ca -0.04 -0.49 -0.02 0.00 -0.15 0.00 0.00 54.97 54.28 3fa8 s GLU 112 Cb -0.08 0.37 -0.03 0.00 -0.44 0.00 0.00 34.13 33.95 3fa8 s GLU 112 CO -0.00 -0.28 0.02 -0.51 0.95 0.00 0.00 175.26 175.44 3fa8 s LEU 113 N -2.09 3.67 0.45 1.83 1.43 -0.68 -0.52 118.68 122.76 3fa8 s LEU 113 Ca -0.05 0.16 0.04 0.00 -1.03 0.00 0.00 54.13 53.25 3fa8 s LEU 113 Cb -0.01 -1.89 0.01 0.00 0.03 0.00 0.00 46.19 44.33 3fa8 s LEU 113 CO -0.04 0.36 0.63 0.42 0.23 0.00 0.00 176.35 177.96 3fa8 s THR 114 N -0.94 3.38 0.19 5.49 -4.23 -0.26 -4.95 115.64 114.32 3fa8 s THR 114 Ca 0.15 -0.79 0.20 0.00 -1.18 0.00 0.00 61.69 60.07 3fa8 s THR 114 Cb -0.11 -3.20 0.17 0.00 1.34 0.00 0.00 72.50 70.69 3fa8 s THR 114 CO 0.04 -0.11 1.79 -1.13 -0.54 0.00 0.00 174.62 174.66 3fa8 h ASN 115 N 0.47 0.00 0.52 3.99 -0.73 -2.00 -0.25 115.58 117.58 3fa8 h ASN 115 Ca -0.43 0.00 0.00 0.00 1.87 0.00 0.00 56.30 57.74 3fa8 h ASN 115 Cb 1.27 0.00 0.00 0.00 0.27 0.00 0.00 38.32 39.86 3fa8 h ASN 115 CO 0.52 0.32 0.00 0.47 -0.37 0.00 0.00 177.43 178.37 3fa8 n ASP 116 N -3.55 0.00 0.00 1.15 8.00 -1.26 -4.88 116.55 116.02 3fa8 n ASP 116 Ca -0.00 0.30 0.00 0.00 0.71 0.00 0.00 54.79 55.79 3fa8 n ASP 116 Cb 0.46 -0.41 0.00 0.00 -0.02 0.00 0.00 41.12 41.15 3fa8 n ASP 116 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 3fa8 n GLY 117 N 0.38 0.82 3.81 0.44 0.00 -0.10 -5.07 105.19 105.46 3fa8 n GLY 117 Ca 0.06 -0.48 -0.34 0.00 0.00 0.00 0.00 46.02 45.27 3fa8 n GLY 117 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3fa8 s GLU 118 N -1.14 4.28 -0.23 1.61 8.01 -1.26 -4.47 118.70 125.49 3fa8 s GLU 118 Ca 0.00 1.18 -0.08 0.00 0.01 0.00 0.00 54.97 56.08 3fa8 s GLU 118 Cb 0.00 -2.30 -0.04 0.00 -4.31 0.00 0.00 34.13 27.48 3fa8 s GLU 118 CO 0.00 0.01 0.09 -1.17 0.01 0.00 0.00 175.26 174.20 3fa8 s LEU 119 N -2.96 3.66 -0.18 1.80 2.96 -0.02 -1.10 118.68 122.84 3fa8 s LEU 119 Ca 0.60 -0.07 -0.05 0.00 -0.22 0.00 0.00 54.13 54.39 3fa8 s LEU 119 Cb -0.11 -1.97 -0.03 0.00 0.50 0.00 0.00 46.19 44.58 3fa8 s LEU 119 CO 0.16 0.04 -0.01 -0.63 -1.32 0.00 0.00 176.35 174.59 3fa8 s ILE 120 N 1.20 4.07 -0.11 6.68 1.01 0.32 -0.47 121.20 133.90 3fa8 s ILE 120 Ca 0.05 -0.29 -0.00 0.00 0.00 0.00 0.00 60.65 60.41 3fa8 s ILE 120 Cb -0.14 -2.81 -0.02 0.00 0.01 0.00 0.00 42.46 39.49 3fa8 s ILE 120 CO 0.04 0.46 -0.10 -0.70 0.00 0.00 0.00 174.94 174.64 3fa8 s GLU 121 N 0.59 3.17 0.13 2.79 2.12 0.46 -1.26 118.70 126.71 3fa8 s GLU 121 Ca -0.01 -0.62 0.10 0.00 0.36 0.00 0.00 54.97 54.80 3fa8 s GLU 121 Cb -0.14 -2.64 -0.04 0.00 0.26 0.00 0.00 34.13 31.57 3fa8 s GLU 121 CO 0.02 0.38 -0.23 0.95 -0.54 0.00 0.00 175.26 175.85 3fa8 s THR 122 N -0.07 1.98 -0.01 -1.70 -4.23 -0.75 -0.93 115.64 109.94 3fa8 s THR 122 Ca -0.01 -1.74 0.02 0.00 -1.18 0.00 0.00 61.69 58.79 3fa8 s THR 122 Cb -0.14 -1.81 -0.00 0.00 1.34 0.00 0.00 72.50 71.89 3fa8 s THR 122 CO 0.03 -0.06 -0.07 -0.04 -0.54 0.00 0.00 174.62 173.94 3fa8 s MET 123 N -2.20 0.64 -0.03 3.99 -1.94 -0.14 -0.83 119.30 118.79 3fa8 s MET 123 Ca 0.12 -0.24 0.04 0.00 -1.71 0.00 0.00 55.69 53.90 3fa8 s MET 123 Cb -0.09 -0.62 -0.00 0.00 2.01 0.00 0.00 34.83 36.13 3fa8 s MET 123 CO 0.06 0.12 -0.14 0.99 -0.01 0.00 0.00 175.02 176.04 3fa8 s THR 124 N 0.02 1.18 -0.17 2.05 2.01 -0.55 -0.93 115.64 119.25 3fa8 s THR 124 Ca 0.00 -0.58 -0.01 0.00 0.31 0.00 0.00 61.69 61.41 3fa8 s THR 124 Cb -0.05 -1.02 0.04 0.00 0.01 0.00 0.00 72.50 71.48 3fa8 s THR 124 CO -0.00 0.35 -0.05 0.00 -0.69 0.00 0.00 174.62 174.23 3fa8 s ALA 125 N 0.07 1.49 0.00 7.40 0.00 -0.38 -1.88 121.76 128.46 3fa8 s ALA 125 Ca -0.03 -0.85 0.00 0.00 0.00 0.00 0.00 51.96 51.08 3fa8 s ALA 125 Cb -0.10 -1.14 0.00 0.00 0.00 0.00 0.00 23.12 21.88 3fa8 s ALA 125 CO 0.01 -0.81 0.00 -0.25 0.00 0.00 0.00 175.76 174.71 3fa8 n ASP 126 N 4.87 0.00 -1.38 0.00 8.00 0.05 -1.15 116.55 126.94 3fa8 n ASP 126 Ca -0.12 0.00 0.10 0.00 0.71 0.00 0.00 54.79 55.49 3fa8 n ASP 126 Cb 0.48 0.00 0.32 0.00 -0.02 0.00 0.00 41.12 41.90 3fa8 n ASP 126 CO 0.00 0.00 0.00 -0.90 -0.39 0.00 0.00 177.20 175.91 3fa8 n ASP 127 N 8.21 4.19 -4.34 -2.24 5.75 -1.26 -4.94 116.55 121.91 3fa8 n ASP 127 Ca 0.00 -2.18 -0.32 0.00 -0.01 0.00 0.00 54.79 52.27 3fa8 n ASP 127 Cb 0.00 -0.50 -0.15 0.00 -1.03 0.00 0.00 41.12 39.44 3fa8 n ASP 127 CO 0.00 0.00 0.00 -0.69 -0.11 0.00 0.00 177.20 176.40 3fa8 s VAL 128 N -1.34 2.70 -0.04 2.12 1.01 -0.30 -5.11 120.40 119.44 3fa8 s VAL 128 Ca 0.48 -0.81 0.05 0.00 0.00 0.00 0.00 61.98 61.70 3fa8 s VAL 128 Cb 0.27 -2.08 -0.01 0.00 0.00 0.00 0.00 36.38 34.56 3fa8 s VAL 128 CO 0.28 0.55 -0.17 -0.69 0.00 0.00 0.00 175.10 175.07 3fa8 s VAL 129 N 0.10 1.40 0.15 2.92 1.01 -1.26 -1.24 120.40 123.48 3fa8 s VAL 129 Ca -0.08 -0.71 0.11 0.00 0.00 0.00 0.00 61.98 61.30 3fa8 s VAL 129 Cb -0.15 -1.19 -0.04 0.00 0.00 0.00 0.00 36.38 34.99 3fa8 s VAL 129 CO 0.05 0.40 -0.26 0.00 0.00 0.00 0.00 175.10 175.30 3fa8 s THR 131 N -1.29 1.11 0.07 0.00 2.01 -0.83 -0.97 115.64 115.74 3fa8 s THR 131 Ca 0.17 -0.52 0.07 0.00 0.31 0.00 0.00 61.69 61.72 3fa8 s THR 131 Cb -0.09 -0.98 -0.03 0.00 0.01 0.00 0.00 72.50 71.41 3fa8 s THR 131 CO 0.07 0.33 -0.20 -0.54 -0.69 0.00 0.00 174.62 173.60 3fa8 s LYS 132 N 0.26 1.17 -0.01 4.92 1.02 -0.10 -0.72 119.74 126.28 3fa8 s LYS 132 Ca -0.06 -1.03 0.05 0.00 0.02 0.00 0.00 55.97 54.95 3fa8 s LYS 132 Cb -0.11 -1.34 -0.01 0.00 -0.52 0.00 0.00 37.83 35.84 3fa8 s LYS 132 CO 0.02 0.32 -0.17 0.08 -0.92 0.00 0.00 175.35 174.69 3fa8 s VAL 133 N -1.01 1.32 0.16 3.17 1.01 -0.46 -0.40 120.40 124.19 3fa8 s VAL 133 Ca 0.06 -0.72 0.06 0.00 0.00 0.00 0.00 61.98 61.37 3fa8 s VAL 133 Cb -0.09 -1.10 -0.04 0.00 0.00 0.00 0.00 36.38 35.14 3fa8 s VAL 133 CO 0.03 0.36 -0.12 -0.36 0.00 0.00 0.00 175.10 175.01 3fa8 s PHE 134 N -0.40 1.41 0.13 5.22 0.08 0.38 -0.35 117.98 124.45 3fa8 s PHE 134 Ca 0.06 -0.68 0.04 0.00 0.12 0.00 0.00 56.93 56.48 3fa8 s PHE 134 Cb -0.06 -0.70 -0.04 0.00 -0.57 0.00 0.00 43.02 41.65 3fa8 s PHE 134 CO -0.01 0.17 -0.11 0.14 -0.10 0.00 0.00 175.22 175.32 3fa8 s VAL 135 N -3.10 1.13 0.33 -0.44 -7.23 -0.46 -0.84 120.40 109.80 3fa8 s VAL 135 Ca 0.18 -1.91 -0.27 0.00 -1.81 0.00 0.00 61.98 58.17 3fa8 s VAL 135 Cb 0.01 -1.69 -0.09 0.00 0.56 0.00 0.00 36.38 35.17 3fa8 s VAL 135 CO 0.03 -0.66 1.03 -0.13 -0.31 0.00 0.00 175.10 175.06 3fa8 s ARG 136 N -3.37 4.47 0.00 4.82 0.52 -1.26 -0.64 118.95 123.48 3fa8 s ARG 136 Ca 0.13 1.57 0.31 0.00 -0.52 0.00 0.00 55.73 57.22 3fa8 s ARG 136 Cb 0.00 -2.87 1.72 0.00 0.52 0.00 0.00 34.95 34.32 3fa8 s ARG 136 CO 0.01 0.12 2.12 -1.91 0.02 0.00 0.00 175.30 175.66