#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 5.82 0.00 3.54 3.84 -1.26 -4.95 114.94 121.93 3fa8 s ASN 2 Ca 0.00 -0.61 0.21 0.00 0.21 0.00 0.00 52.86 52.67 3fa8 s ASN 2 Cb 0.00 -2.07 0.93 0.00 -0.55 0.00 0.00 41.25 39.56 3fa8 s ASN 2 CO 0.00 -0.27 1.67 0.49 -2.79 0.00 0.00 177.10 176.20 3fa8 n PHE 3 N 5.05 0.00 -1.99 0.43 3.01 -1.26 -4.88 117.46 117.82 3fa8 n PHE 3 Ca -0.13 0.00 -0.40 0.00 1.01 0.00 0.00 57.45 57.93 3fa8 n PHE 3 Cb 0.49 -0.45 -0.01 0.00 -0.01 0.00 0.00 39.48 39.50 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 -2.90 6.38 0.00 4.37 0.01 -1.26 -4.67 113.70 115.63 3fa8 s SER 4 Ca 0.12 2.77 0.00 0.00 1.31 0.00 0.00 55.95 60.15 3fa8 s SER 4 Cb 0.14 -2.65 0.00 0.00 0.21 0.00 0.00 66.02 63.72 3fa8 s SER 4 CO 0.37 -0.81 0.00 0.61 0.41 0.00 0.00 173.24 173.81 3fa8 n GLY 5 N 0.65 0.98 3.41 3.44 0.00 -0.48 -4.94 105.19 108.25 3fa8 n GLY 5 Ca 0.02 -1.48 -0.35 0.00 0.00 0.00 0.00 46.02 44.21 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 4.78 -0.13 1.61 -0.87 -1.26 -0.83 114.94 118.24 3fa8 s ASN 6 Ca 0.00 -0.25 -0.01 0.00 -1.57 0.00 0.00 52.86 51.03 3fa8 s ASN 6 Cb 0.00 -1.83 -0.02 0.00 -0.02 0.00 0.00 41.25 39.38 3fa8 s ASN 6 CO 0.00 0.01 -0.10 0.26 -2.57 0.00 0.00 177.10 174.70 3fa8 s TRP 7 N 1.32 2.87 -0.03 2.20 0.52 0.61 -0.38 118.94 126.05 3fa8 s TRP 7 Ca 0.04 -0.52 0.02 0.00 0.02 0.00 0.00 56.10 55.67 3fa8 s TRP 7 Cb -0.15 -1.86 -0.03 0.00 -1.15 0.00 0.00 33.47 30.28 3fa8 s TRP 7 CO 0.01 -0.14 -0.08 -1.59 0.02 0.00 0.00 176.95 175.17 3fa8 s LYS 8 N 0.29 2.61 0.30 4.98 -2.85 0.07 -1.91 119.74 123.22 3fa8 s LYS 8 Ca -0.08 -0.65 -0.29 0.00 -1.00 0.00 0.00 55.97 53.95 3fa8 s LYS 8 Cb -0.15 -2.51 -0.09 0.00 -2.06 0.00 0.00 37.83 33.01 3fa8 s LYS 8 CO 0.05 0.63 1.11 -1.50 0.10 0.00 0.00 175.35 175.74 3fa8 s ILE 9 N -0.88 3.44 0.00 3.79 2.07 -1.25 -1.10 121.20 127.28 3fa8 s ILE 9 Ca 0.14 1.41 0.00 0.00 -1.41 0.00 0.00 60.65 60.79 3fa8 s ILE 9 Cb -0.11 -3.88 0.00 0.00 0.13 0.00 0.00 42.46 38.60 3fa8 s ILE 9 CO 0.04 0.30 0.00 2.30 -1.91 0.00 0.00 174.94 175.67 3fa8 n ILE 10 N 1.00 0.00 -3.45 2.00 -5.35 0.84 -4.86 119.36 109.53 3fa8 n ILE 10 Ca -0.00 0.00 -0.12 0.00 -0.27 0.00 0.00 62.75 62.36 3fa8 n ILE 10 Cb 0.45 -0.05 -0.02 0.00 -1.74 0.00 0.00 39.64 38.28 3fa8 n ILE 10 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 3fa8 s ARG 11 N -1.97 1.31 -0.12 6.28 1.70 -1.05 -5.00 118.95 120.11 3fa8 s ARG 11 Ca 0.00 -0.50 -0.17 0.00 -0.47 0.00 0.00 55.73 54.58 3fa8 s ARG 11 Cb 0.00 0.59 0.04 0.00 -0.57 0.00 0.00 34.95 35.01 3fa8 s ARG 11 CO 0.00 -0.58 0.44 0.45 -1.08 0.00 0.00 175.30 174.53 3fa8 s SER 12 N -2.76 -0.42 -0.08 -2.89 0.15 -1.26 -0.85 113.70 105.59 3fa8 s SER 12 Ca 0.02 0.68 -0.12 0.00 0.70 0.00 0.00 55.95 57.22 3fa8 s SER 12 Cb -0.01 0.72 0.03 0.00 -1.71 0.00 0.00 66.02 65.05 3fa8 s SER 12 CO -0.12 -0.28 0.30 -1.83 1.20 0.00 0.00 173.24 172.51 3fa8 s GLU 13 N -0.33 0.47 -0.97 5.44 -1.05 0.49 -4.96 118.70 117.80 3fa8 s GLU 13 Ca -0.05 0.18 0.00 0.00 -0.15 0.00 0.00 54.97 54.95 3fa8 s GLU 13 Cb -0.03 0.22 0.00 0.00 -0.44 0.00 0.00 34.13 33.88 3fa8 s GLU 13 CO 0.03 -0.09 0.00 0.09 0.95 0.00 0.00 175.26 176.23 3fa8 n ASN 14 N 2.28 -4.36 0.19 0.83 3.02 -1.26 -1.60 115.26 114.36 3fa8 n ASN 14 Ca -0.16 0.23 -0.14 0.00 -0.03 0.00 0.00 54.58 54.47 3fa8 n ASN 14 Cb 0.57 -2.66 -0.08 0.00 -0.61 0.00 0.00 39.78 37.00 3fa8 n ASN 14 CO 0.00 0.00 0.00 0.15 -2.62 0.00 0.00 177.26 174.79 3fa8 h PHE 15 N 0.00 -0.43 -0.31 3.10 3.57 -1.92 -1.33 116.94 119.61 3fa8 h PHE 15 Ca -0.19 -0.01 -0.08 0.00 3.53 0.00 0.00 57.97 61.23 3fa8 h PHE 15 Cb 0.68 0.14 -0.02 0.00 2.79 0.00 0.00 35.95 39.55 3fa8 h PHE 15 CO 0.31 -0.18 -0.13 1.49 -2.23 0.00 0.00 178.31 177.58 3fa8 h GLU 16 N -0.61 0.54 -0.47 1.11 4.81 -1.96 -2.37 114.58 115.63 3fa8 h GLU 16 Ca -0.05 -0.16 -0.03 0.00 -0.13 0.00 0.00 59.36 58.99 3fa8 h GLU 16 Cb 0.44 -0.05 -0.02 0.00 0.63 0.00 0.00 28.75 29.75 3fa8 h GLU 16 CO 0.08 0.66 0.15 0.93 -0.73 0.00 0.00 179.01 180.10 3fa8 h GLU 17 N 0.50 0.69 -0.36 1.92 4.39 -1.93 0.96 114.58 120.74 3fa8 h GLU 17 Ca 0.09 -0.11 -0.08 0.00 0.34 0.00 0.00 59.36 59.60 3fa8 h GLU 17 Cb 0.51 -0.12 -0.01 0.00 -0.10 0.00 0.00 28.75 29.03 3fa8 h GLU 17 CO 0.03 0.60 -0.07 1.25 -1.16 0.00 0.00 179.01 179.66 3fa8 h LEU 18 N 0.68 0.68 -0.89 1.33 5.85 -0.75 -1.66 115.31 120.55 3fa8 h LEU 18 Ca 0.16 -0.36 -0.02 0.00 0.84 0.00 0.00 57.88 58.50 3fa8 h LEU 18 Cb 0.20 -0.19 -0.04 0.00 0.37 0.00 0.00 40.66 41.00 3fa8 h LEU 18 CO -0.01 0.88 0.47 -0.07 -0.34 0.00 0.00 178.44 179.37 3fa8 h LEU 19 N 0.47 1.13 -0.15 2.25 3.38 -0.93 -2.59 115.31 118.87 3fa8 h LEU 19 Ca 0.09 -0.11 -0.00 0.00 0.09 0.00 0.00 57.88 57.95 3fa8 h LEU 19 Cb 0.57 -0.29 -0.01 0.00 0.09 0.00 0.00 40.66 41.03 3fa8 h LEU 19 CO 0.03 0.91 0.08 0.50 0.09 0.00 0.00 178.44 180.06 3fa8 h LYS 20 N 1.25 0.22 0.00 1.13 3.64 -0.54 -1.69 116.57 120.58 3fa8 h LYS 20 Ca 0.31 -0.03 0.00 0.00 -1.27 0.00 0.00 60.65 59.67 3fa8 h LYS 20 Cb 0.05 -0.04 0.00 0.00 -0.41 0.00 0.00 32.23 31.83 3fa8 h LYS 20 CO -0.05 0.22 0.00 -0.39 -2.27 0.00 0.00 179.45 176.97 3fa8 h VAL 21 N 0.15 0.00 -0.00 2.00 -1.51 -1.23 -0.22 116.25 115.45 3fa8 h VAL 21 Ca 0.05 -0.34 0.00 0.00 -1.23 0.00 0.00 66.70 65.18 3fa8 h VAL 21 Cb 0.07 1.19 0.00 0.00 -2.13 0.00 0.00 31.29 30.42 3fa8 h VAL 21 CO -0.01 0.00 -0.02 0.18 -1.23 0.00 0.00 177.57 176.49 3fa8 n LEU 22 N -2.31 0.03 0.00 4.19 4.77 -0.91 -4.93 117.00 117.84 3fa8 n LEU 22 Ca 0.03 0.37 0.00 0.00 -0.03 0.00 0.00 56.01 56.38 3fa8 n LEU 22 Cb 0.31 -0.38 0.00 0.00 -2.33 0.00 0.00 43.42 41.01 3fa8 n LEU 22 CO 0.24 0.01 0.00 0.61 -1.33 0.00 0.00 177.39 176.92 3fa8 n GLY 23 N 1.40 0.79 3.71 -0.72 0.00 -0.09 -5.05 105.19 105.22 3fa8 n GLY 23 Ca 0.10 -0.14 -0.42 0.00 0.00 0.00 0.00 46.02 45.56 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 -2.00 3.76 0.90 1.61 1.01 -0.68 -5.00 120.40 120.00 3fa8 s VAL 24 Ca 0.00 1.26 -0.12 0.00 0.00 0.00 0.00 61.98 63.12 3fa8 s VAL 24 Cb 0.00 -3.81 0.13 0.00 0.00 0.00 0.00 36.38 32.70 3fa8 s VAL 24 CO 0.00 0.10 1.10 0.54 0.00 0.00 0.00 175.10 176.83 3fa8 s ASN 25 N 1.09 3.50 0.25 3.32 6.03 -1.26 -4.53 114.94 123.34 3fa8 s ASN 25 Ca 0.61 1.32 0.04 0.00 -1.03 0.00 0.00 52.86 53.80 3fa8 s ASN 25 Cb -0.32 -2.00 0.30 0.00 -3.03 0.00 0.00 41.25 36.20 3fa8 s ASN 25 CO 0.29 -2.60 1.61 1.62 -2.03 0.00 0.00 177.10 175.99 3fa8 h VAL 26 N -1.52 1.34 0.20 3.54 3.04 -1.98 -0.09 116.25 120.77 3fa8 h VAL 26 Ca -0.50 -1.76 -0.01 0.00 -1.01 0.00 0.00 66.70 63.41 3fa8 h VAL 26 Cb 1.30 1.82 0.00 0.00 -2.01 0.00 0.00 31.29 32.40 3fa8 h VAL 26 CO 0.57 0.53 -0.09 -0.03 -1.01 0.00 0.00 177.57 177.53 3fa8 h MET 27 N 0.24 -0.26 -0.17 4.17 1.85 -2.00 -0.48 114.93 118.29 3fa8 h MET 27 Ca 0.01 0.02 -0.05 0.00 -0.61 0.00 0.00 59.70 59.07 3fa8 h MET 27 Cb 0.99 0.06 -0.01 0.00 0.43 0.00 0.00 31.60 33.06 3fa8 h MET 27 CO 0.08 -0.15 -0.12 -0.07 -0.40 0.00 0.00 176.91 176.25 3fa8 h LEU 28 N -0.29 0.26 -0.45 3.39 3.38 -1.83 -1.71 115.31 118.06 3fa8 h LEU 28 Ca -0.03 -0.05 -0.03 0.00 0.09 0.00 0.00 57.88 57.87 3fa8 h LEU 28 Cb 0.22 -0.07 -0.02 0.00 0.09 0.00 0.00 40.66 40.89 3fa8 h LEU 28 CO 0.04 0.41 0.18 0.03 0.09 0.00 0.00 178.44 179.19 3fa8 h ARG 29 N 0.26 0.67 -0.27 1.13 3.08 -0.64 -0.13 114.38 118.47 3fa8 h ARG 29 Ca 0.05 -0.12 -0.11 0.00 0.07 0.00 0.00 59.98 59.87 3fa8 h ARG 29 Cb 0.38 -0.11 -0.01 0.00 0.08 0.00 0.00 29.97 30.31 3fa8 h ARG 29 CO 0.02 0.61 -0.31 0.87 -1.07 0.00 0.00 179.97 180.09 3fa8 h LYS 30 N 0.58 0.56 -0.60 0.04 1.79 -0.77 -0.14 116.57 118.03 3fa8 h LYS 30 Ca 0.15 -0.24 -0.02 0.00 -2.18 0.00 0.00 60.65 58.36 3fa8 h LYS 30 Cb 0.19 -0.02 -0.03 0.00 -1.58 0.00 0.00 32.23 30.79 3fa8 h LYS 30 CO -0.01 0.81 0.30 0.82 -1.08 0.00 0.00 179.45 180.28 3fa8 h ILE 31 N 0.48 1.21 -0.86 1.86 1.08 -1.24 -2.21 117.51 117.83 3fa8 h ILE 31 Ca 0.06 -0.58 -0.02 0.00 -0.39 0.00 0.00 64.86 63.93 3fa8 h ILE 31 Cb 0.77 0.48 -0.04 0.00 -3.07 0.00 0.00 36.82 34.96 3fa8 h ILE 31 CO 0.06 0.24 0.45 0.00 -0.69 0.00 0.00 178.15 178.21 3fa8 h ALA 32 N 1.13 1.11 -0.41 1.87 0.00 -0.53 -0.35 119.26 122.07 3fa8 h ALA 32 Ca 0.21 -0.14 -0.01 0.00 0.00 0.00 0.00 54.91 54.97 3fa8 h ALA 32 Cb 0.10 -0.34 -0.02 0.00 0.00 0.00 0.00 17.79 17.53 3fa8 h ALA 32 CO -0.03 0.64 0.23 0.28 0.00 0.00 0.00 179.25 180.37 3fa8 h VAL 33 N 1.21 1.15 -0.39 0.00 2.07 -0.93 -0.30 116.25 119.06 3fa8 h VAL 33 Ca 0.30 -0.39 0.02 0.00 0.82 0.00 0.00 66.70 67.45 3fa8 h VAL 33 Cb 0.06 0.66 -0.03 0.00 -1.52 0.00 0.00 31.29 30.46 3fa8 h VAL 33 CO -0.04 0.16 0.23 0.00 0.02 0.00 0.00 177.57 177.94 3fa8 h ALA 34 N 1.08 0.49 0.00 1.67 0.00 -1.07 -2.40 119.26 119.04 3fa8 h ALA 34 Ca 0.15 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.05 3fa8 h ALA 34 Cb 0.05 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 17.73 3fa8 h ALA 34 CO -0.02 -0.10 0.00 0.00 0.00 0.00 0.00 179.25 179.13 3fa8 n ALA 35 N -2.24 1.72 -0.31 0.00 0.00 -0.17 -2.61 120.51 116.90 3fa8 n ALA 35 Ca 0.01 -0.02 0.10 0.00 0.00 0.00 0.00 53.44 53.53 3fa8 n ALA 35 Cb 0.06 -1.29 0.32 0.00 0.00 0.00 0.00 19.45 18.54 3fa8 n ALA 35 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3fa8 n ALA 36 N -1.57 2.70 -1.91 0.00 0.00 -0.15 -4.49 120.51 115.10 3fa8 n ALA 36 Ca 0.03 -1.33 -0.41 0.00 0.00 0.00 0.00 53.44 51.73 3fa8 n ALA 36 Cb 0.20 -0.98 -0.02 0.00 0.00 0.00 0.00 19.45 18.64 3fa8 n ALA 36 CO 0.00 0.00 0.00 -1.12 0.00 0.00 0.00 177.50 176.38 3fa8 s SER 37 N -0.94 6.69 -1.17 0.00 0.01 -1.07 -3.80 113.70 113.43 3fa8 s SER 37 Ca 0.47 2.62 -0.03 0.00 1.31 0.00 0.00 55.95 60.32 3fa8 s SER 37 Cb 0.27 -2.62 -0.02 0.00 0.21 0.00 0.00 66.02 63.86 3fa8 s SER 37 CO 0.27 -0.68 0.93 0.29 0.41 0.00 0.00 173.24 174.46 3fa8 n LYS 38 N 2.51 -4.84 -2.26 12.44 5.02 -1.26 -1.68 118.16 128.08 3fa8 n LYS 38 Ca 0.07 0.81 -0.40 0.00 -2.02 0.00 0.00 58.31 56.77 3fa8 n LYS 38 Cb 0.41 -5.70 -0.03 0.00 -0.02 0.00 0.00 35.03 29.69 3fa8 n LYS 38 CO 0.00 0.00 0.00 -1.25 -0.52 0.00 0.00 177.40 175.63 3fa8 s PRO 39 N -5.17 4.45 0.00 1.97 0.04 -1.25 -4.40 135.00 130.64 3fa8 s PRO 39 Ca 0.16 2.04 0.02 0.00 0.04 0.00 0.00 61.00 63.26 3fa8 s PRO 39 Cb -0.03 -3.09 -0.01 0.00 0.04 0.00 0.00 34.50 31.41 3fa8 s PRO 39 CO 0.75 -0.04 -0.06 0.00 0.04 0.00 0.00 177.00 177.68 3fa8 s ALA 40 N -1.16 0.52 -0.13 8.56 0.00 0.25 -3.90 121.76 125.90 3fa8 s ALA 40 Ca 0.48 -0.35 0.02 0.00 0.00 0.00 0.00 51.96 52.10 3fa8 s ALA 40 Cb -0.36 -0.10 0.01 0.00 0.00 0.00 0.00 23.12 22.67 3fa8 s ALA 40 CO 0.48 0.10 -0.18 0.08 0.00 0.00 0.00 175.76 176.24 3fa8 s VAL 41 N -0.36 1.77 -0.20 0.00 1.01 -0.80 -0.64 120.40 121.18 3fa8 s VAL 41 Ca 0.00 -0.80 -0.06 0.00 0.00 0.00 0.00 61.98 61.13 3fa8 s VAL 41 Cb -0.04 -1.60 -0.03 0.00 0.00 0.00 0.00 36.38 34.72 3fa8 s VAL 41 CO -0.00 0.49 0.02 -0.70 0.00 0.00 0.00 175.10 174.91 3fa8 s GLU 42 N 0.99 3.70 -0.07 2.72 2.12 0.19 -0.29 118.70 128.07 3fa8 s GLU 42 Ca -0.05 -0.48 0.05 0.00 0.36 0.00 0.00 54.97 54.86 3fa8 s GLU 42 Cb -0.15 -3.13 -0.01 0.00 0.26 0.00 0.00 34.13 31.10 3fa8 s GLU 42 CO -0.03 0.06 -0.22 0.42 -0.54 0.00 0.00 175.26 174.94 3fa8 s ILE 43 N 0.90 2.28 -0.24 -3.70 1.01 -0.01 -0.20 121.20 121.24 3fa8 s ILE 43 Ca 0.02 -0.98 0.02 0.00 0.00 0.00 0.00 60.65 59.71 3fa8 s ILE 43 Cb -0.14 -1.85 0.05 0.00 0.01 0.00 0.00 42.46 40.53 3fa8 s ILE 43 CO 0.02 0.57 -0.12 -0.54 0.00 0.00 0.00 174.94 174.87 3fa8 s LYS 44 N -0.15 2.28 -0.16 2.79 1.02 0.06 -1.39 119.74 124.20 3fa8 s LYS 44 Ca -0.03 -1.23 -0.03 0.00 0.02 0.00 0.00 55.97 54.69 3fa8 s LYS 44 Cb -0.14 -2.80 -0.02 0.00 -0.52 0.00 0.00 37.83 34.34 3fa8 s LYS 44 CO 0.04 -0.52 -0.06 -1.14 -0.92 0.00 0.00 175.35 172.75 3fa8 s GLN 45 N 1.16 3.58 -0.48 1.68 0.74 -1.26 -0.96 119.66 124.13 3fa8 s GLN 45 Ca -0.07 -0.57 0.03 0.00 0.05 0.00 0.00 55.36 54.81 3fa8 s GLN 45 Cb -0.19 -2.86 0.14 0.00 1.10 0.00 0.00 33.01 31.20 3fa8 s GLN 45 CO -0.06 0.20 0.27 -1.21 -0.55 0.00 0.00 175.29 173.93 3fa8 s GLU 46 N 0.46 1.52 7.95 1.67 2.02 0.13 -4.86 118.70 127.59 3fa8 s GLU 46 Ca -0.05 -2.25 0.00 0.00 0.02 0.00 0.00 54.97 52.69 3fa8 s GLU 46 Cb -0.15 -2.61 0.00 0.00 0.10 0.00 0.00 34.13 31.47 3fa8 s GLU 46 CO 0.03 -1.17 0.00 0.41 0.02 0.00 0.00 175.26 174.56 3fa8 n GLY 47 N 3.30 3.67 0.38 -1.39 0.00 -1.26 -1.70 105.19 108.19 3fa8 n GLY 47 Ca 0.09 -0.03 0.14 0.00 0.00 0.00 0.00 46.02 46.22 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 9.06 1.23 -4.78 1.61 8.00 -1.26 -4.86 116.55 125.56 3fa8 n ASP 48 Ca 0.00 -1.33 -0.36 0.00 0.71 0.00 0.00 54.79 53.82 3fa8 n ASP 48 Cb 0.00 0.01 -0.07 0.00 -0.02 0.00 0.00 41.12 41.04 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 -2.08 5.44 0.01 -3.53 2.01 -0.69 -0.97 115.64 115.83 3fa8 s THR 49 Ca 0.37 0.21 0.05 0.00 0.31 0.00 0.00 61.69 62.62 3fa8 s THR 49 Cb 0.21 -3.45 -0.02 0.00 0.01 0.00 0.00 72.50 69.25 3fa8 s THR 49 CO 0.37 0.49 -0.15 -0.36 -0.69 0.00 0.00 174.62 174.29 3fa8 s PHE 50 N -0.06 1.28 -0.12 4.92 0.40 0.61 -0.69 117.98 124.32 3fa8 s PHE 50 Ca 0.10 -0.30 0.03 0.00 -0.60 0.00 0.00 56.93 56.16 3fa8 s PHE 50 Cb -0.11 -0.79 0.01 0.00 0.51 0.00 0.00 43.02 42.63 3fa8 s PHE 50 CO -0.00 0.01 -0.22 -0.47 0.70 0.00 0.00 175.22 175.25 3fa8 s TYR 51 N -0.59 2.54 -0.10 0.36 5.04 -0.13 -1.33 117.35 123.14 3fa8 s TYR 51 Ca 0.04 -1.21 0.00 0.00 -2.44 0.00 0.00 57.07 53.46 3fa8 s TYR 51 Cb -0.07 -1.73 0.02 0.00 0.35 0.00 0.00 41.96 40.54 3fa8 s TYR 51 CO 0.00 -0.54 -0.08 0.42 -1.34 0.00 0.00 175.55 174.01 3fa8 s ILE 52 N 0.71 0.99 -0.17 3.14 1.01 -0.41 -0.76 121.20 125.71 3fa8 s ILE 52 Ca -0.10 -0.30 -0.01 0.00 0.00 0.00 0.00 60.65 60.24 3fa8 s ILE 52 Cb -0.16 -1.00 -0.00 0.00 0.01 0.00 0.00 42.46 41.31 3fa8 s ILE 52 CO 0.01 0.35 -0.12 -0.75 0.00 0.00 0.00 174.94 174.43 3fa8 s LYS 53 N 1.49 3.28 -0.20 2.79 2.20 0.72 -1.35 119.74 128.67 3fa8 s LYS 53 Ca 0.01 -0.71 -0.03 0.00 -0.36 0.00 0.00 55.97 54.87 3fa8 s LYS 53 Cb -0.13 -2.72 -0.01 0.00 -1.51 0.00 0.00 37.83 33.46 3fa8 s LYS 53 CO -0.05 -0.01 -0.06 0.99 -0.36 0.00 0.00 175.35 175.86 3fa8 s THR 54 N 0.90 3.32 0.04 3.43 2.01 0.08 0.53 115.64 125.96 3fa8 s THR 54 Ca -0.03 -0.52 0.08 0.00 0.31 0.00 0.00 61.69 61.53 3fa8 s THR 54 Cb -0.15 -2.49 -0.03 0.00 0.01 0.00 0.00 72.50 69.84 3fa8 s THR 54 CO -0.01 0.44 -0.20 -0.44 -0.69 0.00 0.00 174.62 173.73 3fa8 s SER 55 N 1.27 3.66 0.24 3.53 0.01 0.19 -1.06 113.70 121.54 3fa8 s SER 55 Ca 0.03 -0.46 0.01 0.00 1.31 0.00 0.00 55.95 56.84 3fa8 s SER 55 Cb -0.14 -0.54 -0.00 0.00 0.21 0.00 0.00 66.02 65.54 3fa8 s SER 55 CO -0.02 0.26 0.05 0.35 0.41 0.00 0.00 173.24 174.28 3fa8 n THR 56 N 1.60 0.00 0.32 1.44 -2.24 0.44 -0.58 114.28 115.25 3fa8 n THR 56 Ca -0.16 -1.27 0.20 0.00 -2.27 0.00 0.00 64.05 60.54 3fa8 n THR 56 Cb 0.52 0.38 1.07 0.00 -2.10 0.00 0.00 70.33 70.20 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 1.27 0.20 0.00 4.28 1.35 -1.53 -3.22 112.91 115.26 3fa8 h THR 57 Ca -0.19 -0.06 -0.14 0.00 -0.55 0.00 0.00 66.41 65.47 3fa8 h THR 57 Cb 0.66 1.05 -0.03 0.00 -1.73 0.00 0.00 68.15 68.11 3fa8 h THR 57 CO 0.31 0.01 -1.59 1.33 -0.25 0.00 0.00 175.52 175.33 3fa8 n VAL 58 N -3.36 0.52 -3.89 6.82 0.24 -1.26 -5.07 118.33 112.33 3fa8 n VAL 58 Ca -0.03 -0.35 -0.11 0.00 -2.04 0.00 0.00 64.34 61.81 3fa8 n VAL 58 Cb 0.10 -0.59 -0.12 0.00 -1.47 0.00 0.00 33.84 31.75 3fa8 n VAL 58 CO 0.00 0.00 0.00 -0.60 -2.14 0.00 0.00 176.83 174.09 3fa8 s ARG 59 N -2.29 0.21 -0.10 7.34 3.52 -1.22 -5.14 118.95 121.28 3fa8 s ARG 59 Ca -0.04 -0.17 0.02 0.00 -0.13 0.00 0.00 55.73 55.41 3fa8 s ARG 59 Cb 0.03 0.08 0.01 0.00 -1.56 0.00 0.00 34.95 33.52 3fa8 s ARG 59 CO 0.37 -0.04 -0.15 0.99 -0.81 0.00 0.00 175.30 175.66 3fa8 s THR 60 N -0.59 1.46 0.15 4.11 2.01 -1.26 -0.42 115.64 121.11 3fa8 s THR 60 Ca -0.07 -0.64 0.07 0.00 0.31 0.00 0.00 61.69 61.37 3fa8 s THR 60 Cb -0.04 -1.33 -0.04 0.00 0.01 0.00 0.00 72.50 71.10 3fa8 s THR 60 CO 0.00 0.43 -0.15 0.42 -0.69 0.00 0.00 174.62 174.63 3fa8 s THR 61 N 0.85 1.56 -0.02 -0.82 -4.23 -0.22 -4.99 115.64 107.76 3fa8 s THR 61 Ca -0.10 -1.91 -0.01 0.00 -1.18 0.00 0.00 61.69 58.49 3fa8 s THR 61 Cb -0.15 -1.76 0.01 0.00 1.34 0.00 0.00 72.50 71.94 3fa8 s THR 61 CO 0.01 -0.45 0.05 -1.61 -0.54 0.00 0.00 174.62 172.08 3fa8 s GLU 62 N -2.99 0.04 0.11 3.99 2.02 -1.26 -0.74 118.70 119.87 3fa8 s GLU 62 Ca 0.14 0.11 0.09 0.00 0.02 0.00 0.00 54.97 55.33 3fa8 s GLU 62 Cb -0.04 -0.04 -0.04 0.00 0.10 0.00 0.00 34.13 34.11 3fa8 s GLU 62 CO 0.05 -0.05 -0.22 0.96 0.02 0.00 0.00 175.26 176.02 3fa8 s ILE 63 N 0.32 1.83 -0.06 -1.63 -4.36 -0.45 -5.00 121.20 111.85 3fa8 s ILE 63 Ca -0.02 -1.62 0.03 0.00 -0.26 0.00 0.00 60.65 58.78 3fa8 s ILE 63 Cb -0.04 -1.67 0.00 0.00 1.25 0.00 0.00 42.46 42.01 3fa8 s ILE 63 CO -0.01 -0.06 -0.15 0.20 0.24 0.00 0.00 174.94 175.16 3fa8 s ASN 64 N -2.01 2.05 0.12 4.36 0.01 -1.26 -1.29 114.94 116.92 3fa8 s ASN 64 Ca 0.09 -0.34 -0.13 0.00 -0.71 0.00 0.00 52.86 51.76 3fa8 s ASN 64 Cb -0.10 -0.75 0.02 0.00 0.41 0.00 0.00 41.25 40.83 3fa8 s ASN 64 CO 0.05 0.10 0.33 0.72 -1.51 0.00 0.00 177.10 176.80 3fa8 s PHE 65 N 0.32 -0.04 -0.07 2.20 -0.12 -0.44 -4.94 117.98 114.88 3fa8 s PHE 65 Ca -0.09 -0.32 0.03 0.00 -0.05 0.00 0.00 56.93 56.50 3fa8 s PHE 65 Cb -0.14 0.14 -0.02 0.00 -0.63 0.00 0.00 43.02 42.38 3fa8 s PHE 65 CO 0.03 -0.67 -0.17 0.21 -0.05 0.00 0.00 175.22 174.57 3fa8 s LYS 66 N -3.84 2.77 0.13 1.99 2.20 -1.26 -0.28 119.74 121.45 3fa8 s LYS 66 Ca 0.05 -0.76 -0.34 0.00 -0.36 0.00 0.00 55.97 54.56 3fa8 s LYS 66 Cb 0.03 -2.38 -0.14 0.00 -1.51 0.00 0.00 37.83 33.82 3fa8 s LYS 66 CO -0.10 0.43 1.55 0.28 -0.36 0.00 0.00 175.35 177.15 3fa8 n VAL 67 N 2.85 0.03 -0.24 4.02 0.31 -0.14 -1.53 118.33 123.64 3fa8 n VAL 67 Ca -0.17 -0.01 0.00 0.00 -0.01 0.00 0.00 64.34 64.15 3fa8 n VAL 67 Cb 0.52 -1.43 0.00 0.00 -0.91 0.00 0.00 33.84 32.02 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 3.32 1.20 3.27 2.92 0.00 0.07 -5.01 105.19 110.96 3fa8 n GLY 68 Ca 0.18 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.87 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 -0.47 3.19 0.44 1.61 2.02 -0.58 -5.00 118.70 119.91 3fa8 s GLU 69 Ca 0.00 -0.78 -0.25 0.00 0.02 0.00 0.00 54.97 53.96 3fa8 s GLU 69 Cb 0.00 -2.54 -0.08 0.00 0.10 0.00 0.00 34.13 31.61 3fa8 s GLU 69 CO 0.00 0.09 1.41 -1.21 0.02 0.00 0.00 175.26 175.57 3fa8 s GLU 70 N 0.62 3.73 0.21 1.61 2.02 -1.26 -4.49 118.70 121.13 3fa8 s GLU 70 Ca -0.10 2.38 -0.01 0.00 0.02 0.00 0.00 54.97 57.26 3fa8 s GLU 70 Cb -0.16 -2.67 -0.04 0.00 0.10 0.00 0.00 34.13 31.36 3fa8 s GLU 70 CO 0.03 -0.77 0.16 -0.59 0.02 0.00 0.00 175.26 174.10 3fa8 s PHE 71 N -1.21 1.14 -0.12 1.61 -0.71 -0.33 -4.96 117.98 113.40 3fa8 s PHE 71 Ca 0.60 -1.36 -0.03 0.00 -1.04 0.00 0.00 56.93 55.11 3fa8 s PHE 71 Cb -0.43 -0.52 -0.03 0.00 -1.21 0.00 0.00 43.02 40.83 3fa8 s PHE 71 CO 0.55 -0.67 -0.02 -2.00 -1.34 0.00 0.00 175.22 171.74 3fa8 s GLU 72 N -4.12 3.37 0.00 1.99 2.12 -1.26 0.14 118.70 120.94 3fa8 s GLU 72 Ca 0.38 -0.47 0.00 0.00 0.36 0.00 0.00 54.97 55.25 3fa8 s GLU 72 Cb 0.06 -2.87 0.00 0.00 0.26 0.00 0.00 34.13 31.58 3fa8 s GLU 72 CO 0.13 0.45 0.00 -0.85 -0.54 0.00 0.00 175.26 174.45 3fa8 n GLU 73 N 2.91 0.00 -4.32 4.30 0.28 -0.73 -4.96 120.64 118.12 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 -0.11 0.00 1.43 0.00 0.00 31.44 33.28 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 1.73 1.23 1.00 3.44 -0.21 -1.26 -1.54 119.66 124.05 3fa8 s GLN 74 Ca 0.00 -1.35 -0.12 0.00 0.02 0.00 0.00 55.36 53.91 3fa8 s GLN 74 Cb 0.00 -1.33 0.19 0.00 1.00 0.00 0.00 33.01 32.87 3fa8 s GLN 74 CO 0.00 0.28 1.09 0.95 -2.12 0.00 0.00 175.29 175.48 3fa8 s THR 75 N -1.86 2.19 0.52 -0.19 -4.23 0.24 -4.87 115.64 107.45 3fa8 s THR 75 Ca 0.13 0.06 0.18 0.00 -1.18 0.00 0.00 61.69 60.89 3fa8 s THR 75 Cb -0.07 -2.50 0.29 0.00 1.34 0.00 0.00 72.50 71.57 3fa8 s THR 75 CO 0.06 -0.08 2.12 1.62 -0.54 0.00 0.00 174.62 177.80 3fa8 h VAL 76 N -1.91 0.94 -0.32 2.29 3.04 -1.99 -1.33 116.25 116.98 3fa8 h VAL 76 Ca -0.54 0.00 0.00 0.00 -1.01 0.00 0.00 66.70 65.15 3fa8 h VAL 76 Cb 1.32 0.95 0.00 0.00 -2.01 0.00 0.00 31.29 31.55 3fa8 h VAL 76 CO 0.56 0.00 0.00 -0.90 -1.01 0.00 0.00 177.57 176.22 3fa8 n ASP 77 N -4.50 2.64 0.00 3.17 5.75 -1.26 -4.95 116.55 117.39 3fa8 n ASP 77 Ca -0.01 -1.89 0.00 0.00 -0.01 0.00 0.00 54.79 52.89 3fa8 n ASP 77 Cb 0.18 -0.21 0.00 0.00 -1.03 0.00 0.00 41.12 40.06 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 1.33 0.89 3.74 6.12 0.00 -0.50 -5.08 105.19 111.68 3fa8 n GLY 78 Ca 0.18 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.81 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 -0.76 4.35 0.33 1.61 0.52 -1.26 -4.75 118.95 118.98 3fa8 s ARG 79 Ca 0.00 0.66 -0.29 0.00 -0.52 0.00 0.00 55.73 55.58 3fa8 s ARG 79 Cb 0.00 -3.40 -0.11 0.00 0.52 0.00 0.00 34.95 31.96 3fa8 s ARG 79 CO 0.00 0.22 1.44 -2.14 0.02 0.00 0.00 175.30 174.84 3fa8 s PRO 80 N 0.35 4.21 0.10 3.54 0.02 -1.26 -0.59 135.00 141.37 3fa8 s PRO 80 Ca 0.31 2.42 -0.05 0.00 0.02 0.00 0.00 61.00 63.70 3fa8 s PRO 80 Cb -0.17 -3.03 -0.02 0.00 0.02 0.00 0.00 34.50 31.30 3fa8 s PRO 80 CO 0.15 -0.43 0.12 0.00 -0.33 0.00 0.00 177.00 176.51 3fa8 s LYS 82 N -3.94 3.84 0.15 0.00 1.02 0.13 -1.78 119.74 119.16 3fa8 s LYS 82 Ca 0.12 -0.19 0.10 0.00 0.02 0.00 0.00 55.97 56.02 3fa8 s LYS 82 Cb 0.06 -3.30 -0.04 0.00 -0.52 0.00 0.00 37.83 34.03 3fa8 s LYS 82 CO -0.06 0.51 -0.23 -1.12 -0.92 0.00 0.00 175.35 173.54 3fa8 s SER 83 N -0.26 3.05 -0.12 2.83 0.01 0.12 -1.03 113.70 118.30 3fa8 s SER 83 Ca 0.11 -0.80 -0.04 0.00 1.31 0.00 0.00 55.95 56.52 3fa8 s SER 83 Cb -0.11 -0.20 0.06 0.00 0.21 0.00 0.00 66.02 65.98 3fa8 s SER 83 CO 0.01 0.08 0.23 -0.22 0.41 0.00 0.00 173.24 173.75 3fa8 s LEU 84 N -2.38 -0.23 -0.16 2.44 2.96 -0.75 -1.18 118.68 119.38 3fa8 s LEU 84 Ca 0.15 0.47 -0.08 0.00 -0.22 0.00 0.00 54.13 54.45 3fa8 s LEU 84 Cb -0.08 0.56 -0.04 0.00 0.50 0.00 0.00 46.19 47.12 3fa8 s LEU 84 CO 0.07 -0.25 0.12 -0.69 -1.32 0.00 0.00 176.35 174.29 3fa8 s VAL 85 N 2.38 5.34 0.05 1.68 1.01 -1.26 -1.62 120.40 127.98 3fa8 s VAL 85 Ca 0.02 0.16 0.04 0.00 0.00 0.00 0.00 61.98 62.19 3fa8 s VAL 85 Cb -0.12 -3.38 -0.02 0.00 0.00 0.00 0.00 36.38 32.86 3fa8 s VAL 85 CO -0.08 0.53 -0.11 -0.54 0.00 0.00 0.00 175.10 174.90 3fa8 s LYS 86 N -0.28 0.70 0.12 2.72 1.02 -0.22 -0.75 119.74 123.05 3fa8 s LYS 86 Ca 0.11 -0.77 -0.31 0.00 0.02 0.00 0.00 55.97 55.02 3fa8 s LYS 86 Cb -0.12 -0.62 -0.08 0.00 -0.52 0.00 0.00 37.83 36.49 3fa8 s LYS 86 CO 0.01 0.14 1.42 -1.58 -0.92 0.00 0.00 175.35 174.42 3fa8 s TRP 87 N -1.11 3.18 -0.12 3.18 0.52 -1.26 -0.67 118.94 122.65 3fa8 s TRP 87 Ca -0.04 0.88 0.18 0.00 0.02 0.00 0.00 56.10 57.14 3fa8 s TRP 87 Cb -0.09 -3.73 -0.21 0.00 -1.15 0.00 0.00 33.47 28.30 3fa8 s TRP 87 CO 0.01 -2.58 0.54 -1.91 0.02 0.00 0.00 176.95 173.02 3fa8 n GLU 88 N 4.05 0.65 -2.43 4.98 2.13 0.10 -4.90 120.64 125.22 3fa8 n GLU 88 Ca 0.12 0.09 -0.04 0.00 0.66 0.00 0.00 57.16 57.98 3fa8 n GLU 88 Cb 0.42 -1.67 0.01 0.00 0.27 0.00 0.00 31.44 30.47 3fa8 n GLU 88 CO 0.00 0.00 0.00 -1.13 -0.41 0.00 0.00 177.13 175.59 3fa8 n SER 89 N -2.75 -1.12 -0.19 4.31 3.41 -1.04 -4.96 113.62 111.28 3fa8 n SER 89 Ca -0.16 -1.75 0.10 0.00 -0.26 0.00 0.00 58.87 56.80 3fa8 n SER 89 Cb 0.90 1.86 0.41 0.00 -0.26 0.00 0.00 64.21 67.11 3fa8 n SER 89 CO 0.00 0.00 0.00 -0.08 -0.16 0.00 0.00 175.04 174.80 3fa8 h GLU 90 N 0.00 0.61 -0.06 4.33 4.57 -2.01 -3.19 114.58 118.83 3fa8 h GLU 90 Ca -0.16 -0.04 0.00 0.00 -1.18 0.00 0.00 59.36 57.98 3fa8 h GLU 90 Cb 0.62 -0.14 0.00 0.00 -0.16 0.00 0.00 28.75 29.07 3fa8 h GLU 90 CO 0.21 0.41 0.00 0.09 -1.18 0.00 0.00 179.01 178.53 3fa8 n ASN 91 N -4.50 2.03 -3.78 1.04 3.02 -1.26 -4.05 115.26 107.76 3fa8 n ASN 91 Ca 0.13 -1.52 -0.13 0.00 -0.03 0.00 0.00 54.58 53.03 3fa8 n ASN 91 Cb 0.37 -0.03 -0.14 0.00 -0.61 0.00 0.00 39.78 39.37 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 -0.90 0.10 0.13 3.52 2.20 -1.21 -0.60 119.74 122.98 3fa8 s LYS 92 Ca 0.14 0.29 0.09 0.00 -0.36 0.00 0.00 55.97 56.13 3fa8 s LYS 92 Cb 0.09 -0.09 -0.04 0.00 -1.51 0.00 0.00 37.83 36.28 3fa8 s LYS 92 CO 0.14 -0.11 -0.15 0.00 -0.36 0.00 0.00 175.35 174.86 3fa8 s MET 93 N 0.78 1.89 -0.04 4.03 0.23 -0.10 -0.72 119.30 125.36 3fa8 s MET 93 Ca -0.06 -1.18 0.04 0.00 -1.03 0.00 0.00 55.69 53.46 3fa8 s MET 93 Cb -0.08 -2.15 -0.00 0.00 -1.53 0.00 0.00 34.83 31.07 3fa8 s MET 93 CO -0.04 0.47 -0.16 0.08 -2.03 0.00 0.00 175.02 173.35 3fa8 s VAL 94 N -1.29 1.35 -0.16 5.16 1.01 0.15 -1.80 120.40 124.82 3fa8 s VAL 94 Ca 0.20 -0.66 0.02 0.00 0.00 0.00 0.00 61.98 61.53 3fa8 s VAL 94 Cb -0.10 -1.17 0.01 0.00 0.00 0.00 0.00 36.38 35.12 3fa8 s VAL 94 CO 0.12 0.39 -0.20 0.00 0.00 0.00 0.00 175.10 175.41 3fa8 s GLU 96 N 0.97 3.60 0.04 0.00 0.41 -0.64 -2.18 118.70 120.91 3fa8 s GLU 96 Ca -0.03 -0.11 0.06 0.00 -0.41 0.00 0.00 54.97 54.47 3fa8 s GLU 96 Cb -0.15 -3.23 -0.03 0.00 -1.78 0.00 0.00 34.13 28.94 3fa8 s GLU 96 CO -0.05 0.69 -0.12 -0.65 -0.49 0.00 0.00 175.26 174.65 3fa8 s GLN 97 N -0.78 2.27 -0.03 1.61 -0.21 -1.06 -1.81 119.66 119.65 3fa8 s GLN 97 Ca 0.14 -0.89 -0.01 0.00 0.02 0.00 0.00 55.36 54.62 3fa8 s GLN 97 Cb -0.12 -2.34 0.03 0.00 1.00 0.00 0.00 33.01 31.58 3fa8 s GLN 97 CO 0.04 0.55 0.04 0.15 -2.12 0.00 0.00 175.29 173.95 3fa8 s LYS 98 N -1.64 -0.04 0.58 2.91 3.01 -0.20 -4.54 119.74 119.82 3fa8 s LYS 98 Ca 0.17 0.24 -0.20 0.00 -1.01 0.00 0.00 55.97 55.17 3fa8 s LYS 98 Cb -0.11 -0.29 -0.04 0.00 -1.01 0.00 0.00 37.83 36.39 3fa8 s LYS 98 CO 0.08 -0.20 1.32 -0.51 0.51 0.00 0.00 175.35 176.56 3fa8 s LEU 99 N 1.27 3.76 0.06 3.17 1.43 -1.26 0.19 118.68 127.30 3fa8 s LEU 99 Ca -0.07 2.68 -0.21 0.00 -1.03 0.00 0.00 54.13 55.50 3fa8 s LEU 99 Cb -0.13 -4.41 -0.12 0.00 0.03 0.00 0.00 46.19 41.56 3fa8 s LEU 99 CO -0.03 -1.69 1.51 -0.07 0.23 0.00 0.00 176.35 176.30 3fa8 h LEU 100 N 1.15 0.24 -8.09 1.79 3.38 -1.77 -3.43 115.31 108.57 3fa8 h LEU 100 Ca -0.51 -0.28 -0.41 0.00 0.09 0.00 0.00 57.88 56.77 3fa8 h LEU 100 Cb 1.31 -0.06 -0.28 0.00 0.09 0.00 0.00 40.66 41.71 3fa8 h LEU 100 CO 0.56 0.46 -0.78 -0.54 0.09 0.00 0.00 178.44 178.23 3fa8 s LYS 101 N -5.07 0.81 0.00 1.13 1.02 -1.26 -5.06 119.74 111.31 3fa8 s LYS 101 Ca -0.14 -0.41 0.00 0.00 0.02 0.00 0.00 55.97 55.44 3fa8 s LYS 101 Cb 0.06 -0.78 0.00 0.00 -0.52 0.00 0.00 37.83 36.58 3fa8 s LYS 101 CO 0.71 0.21 0.00 0.41 -0.92 0.00 0.00 175.35 175.76 3fa8 n GLY 102 N 2.71 0.20 3.84 -3.33 0.00 -1.26 -5.02 105.19 102.33 3fa8 n GLY 102 Ca -0.14 -1.86 -0.21 0.00 0.00 0.00 0.00 46.02 43.80 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 -1.77 2.58 0.01 1.61 2.02 -1.26 -4.67 118.70 117.23 3fa8 s GLU 103 Ca 0.00 -1.44 -0.28 0.00 0.02 0.00 0.00 54.97 53.27 3fa8 s GLU 103 Cb 0.00 -2.38 0.09 0.00 0.10 0.00 0.00 34.13 31.94 3fa8 s GLU 103 CO 0.00 -0.02 1.25 0.20 0.02 0.00 0.00 175.26 176.71 3fa8 s GLY 104 N -4.02 -0.09 0.82 -1.39 0.00 -1.26 -5.07 107.32 96.31 3fa8 s GLY 104 Ca 0.43 -0.03 -0.10 0.00 0.00 0.00 0.00 44.72 45.02 3fa8 s GLY 104 CO 0.26 5.35 1.11 -4.14 0.00 0.00 0.00 173.10 175.68 3fa8 s PRO 105 N -2.03 1.84 -0.07 2.90 0.02 -1.26 -4.92 135.00 131.47 3fa8 s PRO 105 Ca 0.29 1.29 -0.30 0.00 0.02 0.00 0.00 61.00 62.30 3fa8 s PRO 105 Cb -0.01 -1.84 -0.04 0.00 0.02 0.00 0.00 34.50 32.63 3fa8 s PRO 105 CO 0.00 -1.98 1.36 0.15 -0.33 0.00 0.00 177.00 176.20 3fa8 s LYS 106 N -4.82 4.26 0.10 5.54 1.02 -1.26 -4.94 119.74 119.64 3fa8 s LYS 106 Ca 0.63 1.84 0.09 0.00 0.02 0.00 0.00 55.97 58.56 3fa8 s LYS 106 Cb -0.19 -3.70 -0.04 0.00 -0.52 0.00 0.00 37.83 33.38 3fa8 s LYS 106 CO 0.57 -0.64 -0.22 0.95 -0.92 0.00 0.00 175.35 175.08 3fa8 s THR 107 N 3.00 2.54 0.25 2.17 -4.23 -1.26 -2.92 115.64 115.18 3fa8 s THR 107 Ca 0.61 -1.52 -0.21 0.00 -1.18 0.00 0.00 61.69 59.39 3fa8 s THR 107 Cb -0.27 -2.11 0.03 0.00 1.34 0.00 0.00 72.50 71.49 3fa8 s THR 107 CO 0.22 0.17 0.66 -0.94 -0.54 0.00 0.00 174.62 174.20 3fa8 s SER 108 N -1.87 -0.32 0.12 3.99 1.04 -0.99 -2.55 113.70 113.11 3fa8 s SER 108 Ca 0.15 -0.48 -0.05 0.00 0.48 0.00 0.00 55.95 56.05 3fa8 s SER 108 Cb -0.10 0.68 -0.02 0.00 0.10 0.00 0.00 66.02 66.68 3fa8 s SER 108 CO 0.07 -1.23 0.13 -1.66 0.98 0.00 0.00 173.24 171.53 3fa8 s TRP 109 N -3.88 0.52 0.03 5.02 1.48 -0.92 -0.76 118.94 120.43 3fa8 s TRP 109 Ca 0.09 -0.94 -0.02 0.00 -1.06 0.00 0.00 56.10 54.17 3fa8 s TRP 109 Cb -0.04 -0.26 -0.02 0.00 -1.16 0.00 0.00 33.47 31.99 3fa8 s TRP 109 CO 0.02 -0.56 0.01 0.95 -4.06 0.00 0.00 176.95 173.31 3fa8 s THR 110 N -3.96 0.15 -0.05 0.66 -4.23 -0.13 -0.50 115.64 107.58 3fa8 s THR 110 Ca 0.15 -1.23 0.01 0.00 -1.18 0.00 0.00 61.69 59.44 3fa8 s THR 110 Cb 0.06 -0.83 0.02 0.00 1.34 0.00 0.00 72.50 73.09 3fa8 s THR 110 CO -0.03 -0.68 -0.05 -0.76 -0.54 0.00 0.00 174.62 172.56 3fa8 s LEU 111 N -2.09 1.31 -0.04 4.79 1.43 -0.75 -1.76 118.68 121.59 3fa8 s LEU 111 Ca -0.06 -0.14 0.03 0.00 -1.03 0.00 0.00 54.13 52.94 3fa8 s LEU 111 Cb -0.02 -0.48 0.00 0.00 0.03 0.00 0.00 46.19 45.72 3fa8 s LEU 111 CO -0.05 -0.06 -0.13 -0.70 0.23 0.00 0.00 176.35 175.64 3fa8 s GLU 112 N 0.96 1.40 -0.30 1.70 2.12 -0.14 -0.93 118.70 123.51 3fa8 s GLU 112 Ca -0.10 -0.46 -0.10 0.00 0.36 0.00 0.00 54.97 54.66 3fa8 s GLU 112 Cb -0.14 -1.25 -0.02 0.00 0.26 0.00 0.00 34.13 32.98 3fa8 s GLU 112 CO -0.00 0.18 0.16 -1.17 -0.54 0.00 0.00 175.26 173.89 3fa8 s LEU 113 N 0.13 4.05 0.79 2.70 2.96 0.23 -0.38 118.68 129.16 3fa8 s LEU 113 Ca -0.04 -0.36 -0.09 0.00 -0.22 0.00 0.00 54.13 53.43 3fa8 s LEU 113 Cb -0.10 -2.04 0.11 0.00 0.50 0.00 0.00 46.19 44.66 3fa8 s LEU 113 CO 0.01 -0.15 1.12 0.42 -1.32 0.00 0.00 176.35 176.44 3fa8 s THR 114 N 1.66 2.13 -0.34 3.68 -4.23 0.48 -4.81 115.64 114.21 3fa8 s THR 114 Ca 0.06 -0.20 0.27 0.00 -1.18 0.00 0.00 61.69 60.64 3fa8 s THR 114 Cb -0.17 -2.94 0.33 0.00 1.34 0.00 0.00 72.50 71.06 3fa8 s THR 114 CO 0.07 0.00 1.78 0.78 -0.54 0.00 0.00 174.62 176.72 3fa8 h ASN 115 N -0.95 0.00 0.06 3.99 2.35 -1.99 -2.36 115.58 116.68 3fa8 h ASN 115 Ca -0.44 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.31 3fa8 h ASN 115 Cb 1.29 0.00 0.00 0.00 0.05 0.00 0.00 38.32 39.66 3fa8 h ASN 115 CO 0.52 0.00 -0.01 0.47 -1.65 0.00 0.00 177.43 176.76 3fa8 n ASP 116 N -2.74 0.46 0.00 5.81 9.92 -1.26 -4.91 116.55 123.83 3fa8 n ASP 116 Ca 0.03 -1.06 0.00 0.00 -0.53 0.00 0.00 54.79 53.23 3fa8 n ASP 116 Cb 0.37 -0.02 0.00 0.00 -0.64 0.00 0.00 41.12 40.84 3fa8 n ASP 116 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 3fa8 n GLY 117 N 1.09 0.48 3.88 0.44 0.00 -0.89 -5.06 105.19 105.14 3fa8 n GLY 117 Ca 0.21 -0.65 -0.31 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 -1.22 3.73 -0.22 1.61 2.02 -1.26 -4.37 118.70 119.00 3fa8 s GLU 118 Ca 0.00 0.15 -0.05 0.00 0.02 0.00 0.00 54.97 55.09 3fa8 s GLU 118 Cb 0.00 -2.70 -0.02 0.00 0.10 0.00 0.00 34.13 31.51 3fa8 s GLU 118 CO 0.00 0.34 0.01 -1.17 0.02 0.00 0.00 175.26 174.46 3fa8 s LEU 119 N -2.86 3.19 -0.20 1.80 2.96 -0.08 -0.39 118.68 123.10 3fa8 s LEU 119 Ca 0.45 -0.26 -0.05 0.00 -0.22 0.00 0.00 54.13 54.04 3fa8 s LEU 119 Cb -0.11 -1.82 -0.03 0.00 0.50 0.00 0.00 46.19 44.72 3fa8 s LEU 119 CO 0.23 0.01 0.01 -0.63 -1.32 0.00 0.00 176.35 174.65 3fa8 s ILE 120 N 1.33 4.09 -0.14 6.68 1.01 0.49 -0.40 121.20 134.27 3fa8 s ILE 120 Ca 0.04 -0.27 -0.02 0.00 0.00 0.00 0.00 60.65 60.40 3fa8 s ILE 120 Cb -0.15 -2.85 -0.02 0.00 0.01 0.00 0.00 42.46 39.45 3fa8 s ILE 120 CO 0.01 0.43 -0.07 -0.70 0.00 0.00 0.00 174.94 174.61 3fa8 s GLU 121 N 0.91 3.51 0.12 2.79 2.12 0.54 -0.97 118.70 127.71 3fa8 s GLU 121 Ca 0.02 -0.58 0.09 0.00 0.36 0.00 0.00 54.97 54.86 3fa8 s GLU 121 Cb -0.14 -2.80 -0.04 0.00 0.26 0.00 0.00 34.13 31.42 3fa8 s GLU 121 CO 0.02 0.27 -0.22 0.95 -0.54 0.00 0.00 175.26 175.74 3fa8 s THR 122 N 0.26 1.86 -0.03 -1.70 -4.23 -0.72 -0.94 115.64 110.14 3fa8 s THR 122 Ca -0.05 -1.67 0.02 0.00 -1.18 0.00 0.00 61.69 58.81 3fa8 s THR 122 Cb -0.14 -1.71 0.01 0.00 1.34 0.00 0.00 72.50 71.99 3fa8 s THR 122 CO 0.04 -0.08 -0.08 -0.04 -0.54 0.00 0.00 174.62 173.92 3fa8 s MET 123 N -2.12 0.87 0.00 3.99 -1.94 -0.57 -0.95 119.30 118.58 3fa8 s MET 123 Ca 0.10 -0.25 0.06 0.00 -1.71 0.00 0.00 55.69 53.88 3fa8 s MET 123 Cb -0.09 -0.82 -0.02 0.00 2.01 0.00 0.00 34.83 35.91 3fa8 s MET 123 CO 0.05 0.08 -0.18 0.99 -0.01 0.00 0.00 175.02 175.95 3fa8 s THR 124 N 0.28 1.47 -0.10 2.05 2.01 0.07 -0.76 115.64 120.65 3fa8 s THR 124 Ca -0.04 -0.89 -0.04 0.00 0.31 0.00 0.00 61.69 61.03 3fa8 s THR 124 Cb -0.09 -1.24 0.05 0.00 0.01 0.00 0.00 72.50 71.23 3fa8 s THR 124 CO 0.00 0.33 0.20 0.00 -0.69 0.00 0.00 174.62 174.46 3fa8 s ALA 125 N -0.55 -0.34 0.00 7.40 0.00 -0.52 -2.36 121.76 125.39 3fa8 s ALA 125 Ca 0.07 0.74 0.00 0.00 0.00 0.00 0.00 51.96 52.77 3fa8 s ALA 125 Cb -0.07 -0.81 0.00 0.00 0.00 0.00 0.00 23.12 22.24 3fa8 s ALA 125 CO 0.00 -0.49 0.00 -0.25 0.00 0.00 0.00 175.76 175.02 3fa8 n ASP 126 N 5.05 0.00 -0.72 0.00 8.00 -1.15 -1.07 116.55 126.66 3fa8 n ASP 126 Ca -0.11 0.00 0.06 0.00 0.71 0.00 0.00 54.79 55.46 3fa8 n ASP 126 Cb 0.50 0.00 0.17 0.00 -0.02 0.00 0.00 41.12 41.77 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 6.85 3.00 -4.66 -2.24 5.75 -1.26 -4.93 116.55 119.06 3fa8 n ASP 127 Ca 0.00 -1.97 -0.35 0.00 -0.01 0.00 0.00 54.79 52.46 3fa8 n ASP 127 Cb 0.00 -0.25 -0.10 0.00 -1.03 0.00 0.00 41.12 39.74 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 -1.00 4.47 -0.11 2.12 1.01 -0.23 -5.09 120.40 121.56 3fa8 s VAL 128 Ca 0.26 -0.17 0.01 0.00 0.00 0.00 0.00 61.98 62.08 3fa8 s VAL 128 Cb 0.14 -2.93 0.02 0.00 0.00 0.00 0.00 36.38 33.61 3fa8 s VAL 128 CO 0.18 0.56 -0.13 -0.69 0.00 0.00 0.00 175.10 175.01 3fa8 s VAL 129 N -0.43 1.38 -0.11 2.92 1.01 -1.26 -1.44 120.40 122.47 3fa8 s VAL 129 Ca 0.08 -0.56 -0.12 0.00 0.00 0.00 0.00 61.98 61.39 3fa8 s VAL 129 Cb -0.12 -1.28 -0.05 0.00 0.00 0.00 0.00 36.38 34.93 3fa8 s VAL 129 CO 0.02 0.42 0.26 0.00 0.00 0.00 0.00 175.10 175.80 3fa8 s THR 131 N -0.39 0.99 -0.01 0.00 2.01 -0.63 -1.51 115.64 116.10 3fa8 s THR 131 Ca 0.17 -0.43 0.06 0.00 0.31 0.00 0.00 61.69 61.80 3fa8 s THR 131 Cb -0.13 -0.89 -0.02 0.00 0.01 0.00 0.00 72.50 71.47 3fa8 s THR 131 CO 0.06 0.31 -0.19 -0.54 -0.69 0.00 0.00 174.62 173.56 3fa8 s LYS 132 N 0.43 1.55 -0.07 4.92 1.02 -0.12 -0.38 119.74 127.09 3fa8 s LYS 132 Ca -0.09 -0.72 0.04 0.00 0.02 0.00 0.00 55.97 55.23 3fa8 s LYS 132 Cb -0.12 -1.51 -0.00 0.00 -0.52 0.00 0.00 37.83 35.67 3fa8 s LYS 132 CO 0.02 0.41 -0.21 0.08 -0.92 0.00 0.00 175.35 174.73 3fa8 s VAL 133 N -0.49 1.78 0.20 3.17 1.01 -0.03 -0.34 120.40 125.70 3fa8 s VAL 133 Ca 0.07 -0.89 0.10 0.00 0.00 0.00 0.00 61.98 61.27 3fa8 s VAL 133 Cb -0.08 -1.53 -0.04 0.00 0.00 0.00 0.00 36.38 34.73 3fa8 s VAL 133 CO -0.00 0.50 -0.20 -0.36 0.00 0.00 0.00 175.10 175.03 3fa8 s PHE 134 N 0.17 2.06 0.22 5.22 0.40 0.47 -0.11 117.98 126.40 3fa8 s PHE 134 Ca -0.10 -0.42 0.09 0.00 -0.60 0.00 0.00 56.93 55.90 3fa8 s PHE 134 Cb -0.15 -0.99 -0.05 0.00 0.51 0.00 0.00 43.02 42.35 3fa8 s PHE 134 CO 0.05 0.47 -0.17 0.14 0.70 0.00 0.00 175.22 176.41 3fa8 s VAL 135 N -2.12 1.98 0.18 -0.44 -7.23 -0.26 -0.90 120.40 111.62 3fa8 s VAL 135 Ca 0.21 -2.23 -0.30 0.00 -1.81 0.00 0.00 61.98 57.85 3fa8 s VAL 135 Cb -0.06 -2.10 -0.09 0.00 0.56 0.00 0.00 36.38 34.70 3fa8 s VAL 135 CO 0.09 -0.49 1.33 -0.13 -0.31 0.00 0.00 175.10 175.60 3fa8 s ARG 136 N -3.47 4.37 0.00 4.82 0.52 -1.26 -0.75 118.95 123.17 3fa8 s ARG 136 Ca 0.24 2.07 0.29 0.00 -0.52 0.00 0.00 55.73 57.80 3fa8 s ARG 136 Cb -0.03 -3.21 1.70 0.00 0.52 0.00 0.00 34.95 33.94 3fa8 s ARG 136 CO 0.09 -0.31 2.04 -1.91 0.02 0.00 0.00 175.30 175.24