#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3fa9 s ASN 2 N 0.00 5.29 0.00 2.55 3.84 -1.26 -4.97 114.94 120.39 3fa9 s ASN 2 Ca 0.00 -0.98 0.30 0.00 0.21 0.00 0.00 52.86 52.40 3fa9 s ASN 2 Cb 0.00 -1.89 1.55 0.00 -0.55 0.00 0.00 41.25 40.37 3fa9 s ASN 2 CO 0.00 -0.29 2.04 0.49 -2.79 0.00 0.00 177.10 176.55 3fa9 n PHE 3 N 4.85 0.00 -2.05 0.43 3.01 -1.26 -4.93 117.46 117.51 3fa9 n PHE 3 Ca -0.13 0.00 -0.36 0.00 1.01 0.00 0.00 57.45 57.97 3fa9 n PHE 3 Cb 0.46 -0.10 0.03 0.00 -0.01 0.00 0.00 39.48 39.86 3fa9 n PHE 3 CO 0.00 0.00 0.00 -1.12 1.01 0.00 0.00 176.76 176.65 3fa9 s SER 4 N -2.23 5.28 0.00 4.37 0.01 -1.26 -4.67 113.70 115.20 3fa9 s SER 4 Ca 0.38 2.37 0.00 0.00 1.31 0.00 0.00 55.95 60.01 3fa9 s SER 4 Cb 0.21 -2.60 0.00 0.00 0.21 0.00 0.00 66.02 63.84 3fa9 s SER 4 CO 0.41 -1.53 0.00 0.61 0.41 0.00 0.00 173.24 173.14 3fa9 n GLY 5 N 0.47 0.75 3.27 3.44 0.00 -0.53 -4.94 105.19 107.65 3fa9 n GLY 5 Ca 0.13 -1.83 -0.38 0.00 0.00 0.00 0.00 46.02 43.94 3fa9 n GLY 5 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 3fa9 s ASN 6 N 0.00 5.41 -0.17 1.61 0.01 -1.26 -1.12 114.94 119.41 3fa9 s ASN 6 Ca 0.00 -1.25 -0.08 0.00 -0.71 0.00 0.00 52.86 50.83 3fa9 s ASN 6 Cb 0.00 -1.90 -0.04 0.00 0.41 0.00 0.00 41.25 39.72 3fa9 s ASN 6 CO 0.00 -0.38 0.09 0.26 -1.51 0.00 0.00 177.10 175.56 3fa9 s TRP 7 N 1.40 3.35 -0.07 2.20 0.52 0.17 -0.19 118.94 126.32 3fa9 s TRP 7 Ca -0.00 0.23 0.04 0.00 0.02 0.00 0.00 56.10 56.38 3fa9 s TRP 7 Cb -0.20 -2.07 -0.02 0.00 -1.15 0.00 0.00 33.47 30.03 3fa9 s TRP 7 CO 0.03 0.30 -0.17 0.15 0.02 0.00 0.00 176.95 177.28 3fa9 s LYS 8 N 0.08 2.71 0.07 4.98 -0.14 0.13 -1.60 119.74 125.98 3fa9 s LYS 8 Ca 0.07 -0.76 -0.30 0.00 -1.36 0.00 0.00 55.97 53.62 3fa9 s LYS 8 Cb -0.12 -2.37 -0.05 0.00 -1.68 0.00 0.00 37.83 33.61 3fa9 s LYS 8 CO 0.00 0.46 1.11 -1.50 -0.76 0.00 0.00 175.35 174.66 3fa9 s ILE 9 N -0.32 4.22 0.00 2.17 2.07 -1.26 -1.50 121.20 126.58 3fa9 s ILE 9 Ca 0.02 1.67 0.00 0.00 -1.41 0.00 0.00 60.65 60.93 3fa9 s ILE 9 Cb -0.13 -4.07 0.00 0.00 0.13 0.00 0.00 42.46 38.40 3fa9 s ILE 9 CO 0.02 0.17 0.00 2.30 -1.91 0.00 0.00 174.94 175.53 3fa9 n ILE 10 N 3.52 0.00 -3.82 2.00 -5.35 0.14 -4.94 119.36 110.91 3fa9 n ILE 10 Ca 0.07 -0.26 -0.12 0.00 -0.27 0.00 0.00 62.75 62.17 3fa9 n ILE 10 Cb 0.48 0.76 -0.12 0.00 -1.74 0.00 0.00 39.64 39.02 3fa9 n ILE 10 CO 0.00 0.00 0.00 -0.13 -1.76 0.00 0.00 176.55 174.66 3fa9 s ARG 11 N -1.48 0.29 -0.05 6.28 1.81 -0.86 -4.97 118.95 119.98 3fa9 s ARG 11 Ca 0.00 0.10 -0.02 0.00 -1.72 0.00 0.00 55.73 54.08 3fa9 s ARG 11 Cb 0.00 0.13 0.03 0.00 -0.45 0.00 0.00 34.95 34.66 3fa9 s ARG 11 CO 0.00 -0.05 0.11 0.45 -0.68 0.00 0.00 175.30 175.13 3fa9 s SER 12 N -0.28 -0.07 -0.05 0.23 0.15 -1.26 -0.80 113.70 111.62 3fa9 s SER 12 Ca -0.04 0.22 -0.01 0.00 0.70 0.00 0.00 55.95 56.82 3fa9 s SER 12 Cb -0.03 0.13 0.03 0.00 -1.71 0.00 0.00 66.02 64.44 3fa9 s SER 12 CO 0.01 -0.12 0.01 -0.70 1.20 0.00 0.00 173.24 173.64 3fa9 s GLU 13 N 0.90 0.39 -0.66 5.44 2.56 0.83 -4.85 118.70 123.31 3fa9 s GLU 13 Ca -0.07 0.13 0.00 0.00 0.00 0.00 0.00 54.97 55.03 3fa9 s GLU 13 Cb -0.09 -0.71 0.00 0.00 2.00 0.00 0.00 34.13 35.32 3fa9 s GLU 13 CO -0.04 -0.24 0.00 -1.71 -0.56 0.00 0.00 175.26 172.71 3fa9 n ASN 14 N 4.76 -3.77 -0.00 -1.70 5.15 -1.26 -1.82 115.26 116.62 3fa9 n ASN 14 Ca -0.14 0.15 -0.12 0.00 -0.60 0.00 0.00 54.58 53.87 3fa9 n ASN 14 Cb 0.50 -1.81 -0.10 0.00 -0.53 0.00 0.00 39.78 37.84 3fa9 n ASN 14 CO 0.00 0.00 0.00 0.15 1.40 0.00 0.00 177.26 178.81 3fa9 h PHE 15 N 0.00 -0.08 -0.35 1.20 3.57 -1.90 -1.31 116.94 118.07 3fa9 h PHE 15 Ca -0.13 -0.00 -0.05 0.00 3.53 0.00 0.00 57.97 61.32 3fa9 h PHE 15 Cb 0.41 0.03 -0.02 0.00 2.79 0.00 0.00 35.95 39.16 3fa9 h PHE 15 CO 0.18 0.51 -0.01 1.49 -2.23 0.00 0.00 178.31 178.24 3fa9 h GLU 16 N -0.77 0.56 -0.52 1.11 4.81 -1.92 -1.70 114.58 116.13 3fa9 h GLU 16 Ca -0.01 -0.13 -0.08 0.00 -0.13 0.00 0.00 59.36 59.01 3fa9 h GLU 16 Cb 0.62 -0.08 -0.02 0.00 0.63 0.00 0.00 28.75 29.90 3fa9 h GLU 16 CO 0.01 0.59 -0.00 0.93 -0.73 0.00 0.00 179.01 179.81 3fa9 h GLU 17 N 0.53 0.89 0.16 1.92 3.07 -1.97 0.37 114.58 119.54 3fa9 h GLU 17 Ca 0.11 -0.25 -0.01 0.00 -0.50 0.00 0.00 59.36 58.71 3fa9 h GLU 17 Cb 0.36 -0.09 0.00 0.00 -0.84 0.00 0.00 28.75 28.18 3fa9 h GLU 17 CO 0.01 0.88 -0.08 1.25 -1.40 0.00 0.00 179.01 179.68 3fa9 h LEU 18 N 0.82 -0.18 -0.91 1.33 5.85 -0.83 -1.96 115.31 119.43 3fa9 h LEU 18 Ca 0.15 -0.10 0.10 0.00 0.84 0.00 0.00 57.88 58.87 3fa9 h LEU 18 Cb 0.49 0.05 -0.08 0.00 0.37 0.00 0.00 40.66 41.49 3fa9 h LEU 18 CO 0.02 -0.01 0.55 -0.07 -0.34 0.00 0.00 178.44 178.60 3fa9 h LEU 19 N -0.34 0.82 0.22 2.25 3.38 -0.94 -2.55 115.31 118.15 3fa9 h LEU 19 Ca -0.02 0.04 -0.00 0.00 0.09 0.00 0.00 57.88 57.99 3fa9 h LEU 19 Cb 0.27 -0.12 -0.01 0.00 0.09 0.00 0.00 40.66 40.89 3fa9 h LEU 19 CO 0.04 0.46 -0.17 0.50 0.09 0.00 0.00 178.44 179.36 3fa9 h LYS 20 N 0.92 -0.38 0.00 1.13 3.64 -0.01 -2.04 116.57 119.83 3fa9 h LYS 20 Ca 0.44 0.03 0.00 0.00 -1.27 0.00 0.00 60.65 59.84 3fa9 h LYS 20 Cb 0.37 0.09 0.00 0.00 -0.41 0.00 0.00 32.23 32.28 3fa9 h LYS 20 CO -0.24 -0.26 0.00 -0.39 -2.27 0.00 0.00 179.45 176.29 3fa9 h VAL 21 N -0.40 0.00 -0.00 2.00 -1.51 -1.18 -0.70 116.25 114.46 3fa9 h VAL 21 Ca -0.01 -0.22 0.00 0.00 -1.23 0.00 0.00 66.70 65.24 3fa9 h VAL 21 Cb 0.35 1.03 0.00 0.00 -2.13 0.00 0.00 31.29 30.54 3fa9 h VAL 21 CO -0.01 0.00 -0.22 0.18 -1.23 0.00 0.00 177.57 176.29 3fa9 n LEU 22 N -2.66 0.29 0.00 4.19 4.77 -0.98 -4.94 117.00 117.68 3fa9 n LEU 22 Ca -0.00 0.21 0.00 0.00 -0.03 0.00 0.00 56.01 56.19 3fa9 n LEU 22 Cb 0.18 -0.34 0.00 0.00 -2.33 0.00 0.00 43.42 40.93 3fa9 n LEU 22 CO 0.20 0.07 0.00 0.61 -1.33 0.00 0.00 177.39 176.94 3fa9 n GLY 23 N 1.46 0.79 3.70 -0.72 0.00 -0.27 -5.05 105.19 105.10 3fa9 n GLY 23 Ca 0.08 -0.23 -0.42 0.00 0.00 0.00 0.00 46.02 45.44 3fa9 n GLY 23 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3fa9 s VAL 24 N -2.00 3.75 0.72 1.61 1.01 -0.81 -4.97 120.40 119.72 3fa9 s VAL 24 Ca 0.00 1.21 -0.15 0.00 0.00 0.00 0.00 61.98 63.04 3fa9 s VAL 24 Cb 0.00 -3.78 0.03 0.00 0.00 0.00 0.00 36.38 32.63 3fa9 s VAL 24 CO 0.00 0.05 1.19 0.54 0.00 0.00 0.00 175.10 176.88 3fa9 s ASN 25 N 1.37 4.34 0.51 3.32 2.20 -1.26 -4.62 114.94 120.81 3fa9 s ASN 25 Ca 0.62 2.29 0.20 0.00 -0.94 0.00 0.00 52.86 55.03 3fa9 s ASN 25 Cb -0.32 -2.58 1.33 0.00 -2.00 0.00 0.00 41.25 37.69 3fa9 s ASN 25 CO 0.28 -2.16 2.11 1.62 -2.94 0.00 0.00 177.10 176.01 3fa9 h VAL 26 N -0.26 0.87 0.20 3.54 3.04 -1.99 -2.26 116.25 119.39 3fa9 h VAL 26 Ca -0.47 -0.30 -0.01 0.00 -1.01 0.00 0.00 66.70 64.91 3fa9 h VAL 26 Cb 1.29 1.17 0.00 0.00 -2.01 0.00 0.00 31.29 31.74 3fa9 h VAL 26 CO 0.50 0.08 -0.10 0.24 -1.01 0.00 0.00 177.57 177.29 3fa9 h MET 27 N 0.00 -0.26 -0.60 4.17 2.86 -1.99 -1.69 114.93 117.42 3fa9 h MET 27 Ca -0.00 0.02 -0.08 0.00 -2.06 0.00 0.00 59.70 57.58 3fa9 h MET 27 Cb 0.16 0.06 -0.02 0.00 0.06 0.00 0.00 31.60 31.86 3fa9 h MET 27 CO 0.01 -0.06 0.06 -0.07 1.06 0.00 0.00 176.91 177.91 3fa9 h LEU 28 N -0.41 0.98 -0.65 1.22 3.38 -1.83 -1.06 115.31 116.94 3fa9 h LEU 28 Ca -0.03 -0.28 0.08 0.00 0.09 0.00 0.00 57.88 57.75 3fa9 h LEU 28 Cb 0.32 -0.26 -0.07 0.00 0.09 0.00 0.00 40.66 40.74 3fa9 h LEU 28 CO 0.04 1.02 0.31 0.03 0.09 0.00 0.00 178.44 179.93 3fa9 h ARG 29 N 0.91 0.52 -0.05 1.13 3.08 -1.36 0.51 114.38 119.13 3fa9 h ARG 29 Ca 0.18 -0.03 -0.12 0.00 0.07 0.00 0.00 59.98 60.08 3fa9 h ARG 29 Cb 0.48 -0.12 -0.01 0.00 0.08 0.00 0.00 29.97 30.40 3fa9 h ARG 29 CO 0.02 0.35 -0.51 0.87 -1.07 0.00 0.00 179.97 179.63 3fa9 h LYS 30 N 0.54 0.13 0.22 0.04 1.79 -1.01 -2.35 116.57 115.94 3fa9 h LYS 30 Ca 0.32 -0.07 -0.01 0.00 -2.18 0.00 0.00 60.65 58.70 3fa9 h LYS 30 Cb 0.33 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 30.98 3fa9 h LYS 30 CO -0.26 0.61 -0.11 0.82 -1.08 0.00 0.00 179.45 179.43 3fa9 h ILE 31 N 0.10 0.86 -0.16 1.86 2.04 0.02 -2.96 117.51 119.26 3fa9 h ILE 31 Ca 0.00 -0.64 0.05 0.00 1.00 0.00 0.00 64.86 65.26 3fa9 h ILE 31 Cb 0.93 1.22 -0.01 0.00 -0.74 0.00 0.00 36.82 38.23 3fa9 h ILE 31 CO 0.07 0.14 0.18 0.00 0.00 0.00 0.00 178.15 178.54 3fa9 h ALA 32 N 0.04 1.79 -0.26 1.87 0.00 0.18 -2.09 119.26 120.79 3fa9 h ALA 32 Ca -0.03 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.87 3fa9 h ALA 32 Cb 0.45 0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.26 3fa9 h ALA 32 CO 0.05 -0.26 0.00 1.33 0.00 0.00 0.00 179.25 180.37 3fa9 n VAL 33 N -3.83 0.46 -1.97 0.00 0.24 -0.90 -4.74 118.33 107.58 3fa9 n VAL 33 Ca 0.01 -0.73 -0.34 0.00 -2.04 0.00 0.00 64.34 61.24 3fa9 n VAL 33 Cb 0.30 0.97 0.03 0.00 -1.47 0.00 0.00 33.84 33.66 3fa9 n VAL 33 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 3fa9 s ALA 34 N -1.26 2.58 0.39 2.33 0.00 -0.79 -4.89 121.76 120.12 3fa9 s ALA 34 Ca 0.28 0.64 0.20 0.00 0.00 0.00 0.00 51.96 53.08 3fa9 s ALA 34 Cb 0.17 -3.33 1.17 0.00 0.00 0.00 0.00 23.12 21.13 3fa9 s ALA 34 CO 0.23 -1.04 1.69 0.00 0.00 0.00 0.00 175.76 176.65 3fa9 h ALA 35 N 0.51 2.26 0.00 0.00 0.00 -1.93 0.47 119.26 120.57 3fa9 h ALA 35 Ca -0.48 0.12 0.00 0.00 0.00 0.00 0.00 54.91 54.55 3fa9 h ALA 35 Cb 1.25 0.11 0.00 0.00 0.00 0.00 0.00 17.79 19.15 3fa9 h ALA 35 CO 0.55 -0.80 0.00 0.00 0.00 0.00 0.00 179.25 179.01 3fa9 n ALA 36 N -2.42 1.88 0.01 0.00 0.00 -1.26 -2.05 120.51 116.67 3fa9 n ALA 36 Ca 0.31 -0.02 0.09 0.00 0.00 0.00 0.00 53.44 53.81 3fa9 n ALA 36 Cb 1.05 -1.35 0.20 0.00 0.00 0.00 0.00 19.45 19.35 3fa9 n ALA 36 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.50 177.93 3fa9 n SER 37 N -1.78 3.23 -4.67 0.00 7.64 0.15 -2.22 113.62 115.96 3fa9 n SER 37 Ca 0.04 -1.93 -0.46 0.00 1.01 0.00 0.00 58.87 57.53 3fa9 n SER 37 Cb 0.25 -0.27 -0.04 0.00 -1.01 0.00 0.00 64.21 63.14 3fa9 n SER 37 CO 0.00 0.00 0.00 1.17 -3.01 0.00 0.00 175.04 173.20 3fa9 n LYS 38 N 1.12 2.46 -2.92 1.43 4.81 -0.87 -4.85 118.16 119.34 3fa9 n LYS 38 Ca 0.17 0.90 -0.40 0.00 -0.87 0.00 0.00 58.31 58.10 3fa9 n LYS 38 Cb 0.51 -2.79 -0.04 0.00 0.02 0.00 0.00 35.03 32.73 3fa9 n LYS 38 CO 0.00 0.00 0.00 -1.25 1.17 0.00 0.00 177.40 177.32 3fa9 s PRO 39 N 4.01 4.51 -0.19 1.64 0.04 -1.26 -4.48 135.00 139.27 3fa9 s PRO 39 Ca 0.90 1.12 -0.09 0.00 0.04 0.00 0.00 61.00 62.97 3fa9 s PRO 39 Cb -0.59 -3.41 -0.05 0.00 0.04 0.00 0.00 34.50 30.50 3fa9 s PRO 39 CO 0.47 0.15 0.12 0.00 0.04 0.00 0.00 177.00 177.79 3fa9 s ALA 40 N 0.38 3.68 -0.18 8.56 0.00 0.66 -4.11 121.76 130.76 3fa9 s ALA 40 Ca 0.42 -0.69 -0.01 0.00 0.00 0.00 0.00 51.96 51.68 3fa9 s ALA 40 Cb -0.20 -2.12 0.00 0.00 0.00 0.00 0.00 23.12 20.80 3fa9 s ALA 40 CO 0.23 0.22 -0.13 0.08 0.00 0.00 0.00 175.76 176.16 3fa9 s VAL 41 N 0.19 2.76 -0.21 0.00 1.01 -0.63 -1.04 120.40 122.47 3fa9 s VAL 41 Ca 0.08 -0.72 -0.04 0.00 0.00 0.00 0.00 61.98 61.30 3fa9 s VAL 41 Cb -0.11 -2.19 -0.01 0.00 0.00 0.00 0.00 36.38 34.06 3fa9 s VAL 41 CO -0.01 0.50 -0.03 -0.70 0.00 0.00 0.00 175.10 174.85 3fa9 s GLU 42 N 1.05 3.46 -0.06 2.72 2.12 -0.26 0.44 118.70 128.16 3fa9 s GLU 42 Ca -0.01 -0.59 0.05 0.00 0.36 0.00 0.00 54.97 54.78 3fa9 s GLU 42 Cb -0.15 -3.02 -0.02 0.00 0.26 0.00 0.00 34.13 31.21 3fa9 s GLU 42 CO -0.03 -0.10 -0.20 0.42 -0.54 0.00 0.00 175.26 174.80 3fa9 s ILE 43 N 1.26 2.48 -0.24 -3.70 1.01 -0.27 -0.90 121.20 120.84 3fa9 s ILE 43 Ca 0.03 -0.92 0.02 0.00 0.00 0.00 0.00 60.65 59.79 3fa9 s ILE 43 Cb -0.14 -1.94 0.05 0.00 0.01 0.00 0.00 42.46 40.43 3fa9 s ILE 43 CO -0.01 0.57 -0.13 -0.75 0.00 0.00 0.00 174.94 174.62 3fa9 s LYS 44 N -0.26 2.41 -0.18 2.79 2.20 0.01 -1.45 119.74 125.26 3fa9 s LYS 44 Ca 0.00 -1.20 -0.06 0.00 -0.36 0.00 0.00 55.97 54.36 3fa9 s LYS 44 Cb -0.13 -2.79 -0.03 0.00 -1.51 0.00 0.00 37.83 33.37 3fa9 s LYS 44 CO 0.03 -0.48 0.01 -1.14 -0.36 0.00 0.00 175.35 173.41 3fa9 s GLN 45 N 1.16 3.78 -0.46 4.03 0.74 -1.26 -1.27 119.66 126.38 3fa9 s GLN 45 Ca -0.05 -0.45 0.03 0.00 0.05 0.00 0.00 55.36 54.94 3fa9 s GLN 45 Cb -0.18 -3.08 0.13 0.00 1.10 0.00 0.00 33.01 30.98 3fa9 s GLN 45 CO -0.07 0.20 0.22 -1.21 -0.55 0.00 0.00 175.29 173.88 3fa9 s GLU 46 N 0.52 1.58 7.98 1.67 2.02 0.63 -4.85 118.70 128.25 3fa9 s GLU 46 Ca -0.00 -2.22 0.00 0.00 0.02 0.00 0.00 54.97 52.77 3fa9 s GLU 46 Cb -0.14 -2.84 0.00 0.00 0.10 0.00 0.00 34.13 31.26 3fa9 s GLU 46 CO 0.02 -1.11 0.00 0.41 0.02 0.00 0.00 175.26 174.60 3fa9 n GLY 47 N 3.49 3.93 0.53 -1.39 0.00 -1.26 -1.67 105.19 108.81 3fa9 n GLY 47 Ca 0.06 0.02 0.12 0.00 0.00 0.00 0.00 46.02 46.22 3fa9 n GLY 47 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 3fa9 n ASP 48 N 8.82 1.62 -4.66 1.61 8.00 -1.26 -4.84 116.55 125.83 3fa9 n ASP 48 Ca 0.00 -1.60 -0.36 0.00 0.71 0.00 0.00 54.79 53.54 3fa9 n ASP 48 Cb 0.00 -0.05 -0.09 0.00 -0.02 0.00 0.00 41.12 40.96 3fa9 n ASP 48 CO 0.00 0.00 0.00 -0.89 -0.39 0.00 0.00 177.20 175.92 3fa9 s THR 49 N -1.90 5.30 0.04 -3.53 2.01 -0.67 -0.87 115.64 116.01 3fa9 s THR 49 Ca 0.36 0.16 0.09 0.00 0.31 0.00 0.00 61.69 62.60 3fa9 s THR 49 Cb 0.20 -3.46 -0.03 0.00 0.01 0.00 0.00 72.50 69.22 3fa9 s THR 49 CO 0.30 0.37 -0.24 -0.36 -0.69 0.00 0.00 174.62 173.99 3fa9 s PHE 50 N 0.93 2.38 -0.17 4.92 0.40 0.10 -0.27 117.98 126.28 3fa9 s PHE 50 Ca 0.07 -0.38 0.01 0.00 -0.60 0.00 0.00 56.93 56.04 3fa9 s PHE 50 Cb -0.13 -1.42 0.02 0.00 0.51 0.00 0.00 43.02 41.99 3fa9 s PHE 50 CO 0.03 0.14 -0.20 -0.47 0.70 0.00 0.00 175.22 175.42 3fa9 s TYR 51 N -0.81 2.74 -0.15 0.36 5.04 -0.40 -1.44 117.35 122.70 3fa9 s TYR 51 Ca 0.12 -1.57 0.01 0.00 -2.44 0.00 0.00 57.07 53.19 3fa9 s TYR 51 Cb -0.10 -1.89 0.02 0.00 0.35 0.00 0.00 41.96 40.34 3fa9 s TYR 51 CO 0.02 -0.76 -0.17 0.42 -1.34 0.00 0.00 175.55 173.72 3fa9 s ILE 52 N 1.18 1.78 -0.22 3.14 1.01 -0.22 -0.81 121.20 127.06 3fa9 s ILE 52 Ca 0.02 -0.78 -0.04 0.00 0.00 0.00 0.00 60.65 59.85 3fa9 s ILE 52 Cb -0.14 -1.63 -0.01 0.00 0.01 0.00 0.00 42.46 40.70 3fa9 s ILE 52 CO -0.10 0.49 -0.02 -0.75 0.00 0.00 0.00 174.94 174.56 3fa9 s LYS 53 N 1.22 3.44 -0.20 2.79 2.20 -0.08 -0.78 119.74 128.34 3fa9 s LYS 53 Ca 0.01 -0.60 -0.08 0.00 -0.36 0.00 0.00 55.97 54.94 3fa9 s LYS 53 Cb -0.14 -3.06 -0.04 0.00 -1.51 0.00 0.00 37.83 33.08 3fa9 s LYS 53 CO -0.08 -0.18 0.09 0.99 -0.36 0.00 0.00 175.35 175.80 3fa9 s THR 54 N 1.46 4.91 -0.01 3.43 2.01 -0.06 -1.11 115.64 126.28 3fa9 s THR 54 Ca 0.05 0.01 0.01 0.00 0.31 0.00 0.00 61.69 62.08 3fa9 s THR 54 Cb -0.14 -3.23 0.00 0.00 0.01 0.00 0.00 72.50 69.13 3fa9 s THR 54 CO -0.02 0.43 -0.04 -0.44 -0.69 0.00 0.00 174.62 173.86 3fa9 s SER 55 N 0.57 0.58 0.03 3.53 0.01 -0.21 -0.99 113.70 117.22 3fa9 s SER 55 Ca 0.04 -0.08 0.00 0.00 1.31 0.00 0.00 55.95 57.22 3fa9 s SER 55 Cb -0.13 -0.11 0.00 0.00 0.21 0.00 0.00 66.02 65.99 3fa9 s SER 55 CO 0.01 0.03 0.01 0.35 0.41 0.00 0.00 173.24 174.05 3fa9 n THR 56 N 3.18 0.00 0.27 1.44 -2.24 0.37 -0.24 114.28 117.05 3fa9 n THR 56 Ca -0.15 -0.13 0.13 0.00 -2.27 0.00 0.00 64.05 61.62 3fa9 n THR 56 Cb 0.57 -0.11 0.74 0.00 -2.10 0.00 0.00 70.33 69.43 3fa9 n THR 56 CO 0.00 0.00 0.00 0.71 -0.57 0.00 0.00 175.07 175.21 3fa9 h THR 57 N 0.88 0.55 0.00 4.28 1.35 -1.70 -3.33 112.91 114.94 3fa9 h THR 57 Ca -0.02 -0.51 0.00 0.00 -0.55 0.00 0.00 66.41 65.33 3fa9 h THR 57 Cb 0.07 1.33 0.00 0.00 -1.73 0.00 0.00 68.15 67.82 3fa9 h THR 57 CO 0.04 0.11 -0.68 1.33 -0.25 0.00 0.00 175.52 176.07 3fa9 n VAL 58 N -3.63 0.00 -4.11 6.82 0.24 -1.26 -5.06 118.33 111.32 3fa9 n VAL 58 Ca -0.02 -0.17 -0.15 0.00 -2.04 0.00 0.00 64.34 61.96 3fa9 n VAL 58 Cb 0.23 0.66 -0.11 0.00 -1.47 0.00 0.00 33.84 33.15 3fa9 n VAL 58 CO 0.00 0.00 0.00 -0.13 -2.14 0.00 0.00 176.83 174.56 3fa9 s ARG 59 N -1.69 0.67 -0.07 7.34 0.52 -1.25 -5.14 118.95 119.33 3fa9 s ARG 59 Ca -0.00 -0.90 -0.03 0.00 -0.52 0.00 0.00 55.73 54.28 3fa9 s ARG 59 Cb 0.00 -0.47 0.04 0.00 0.52 0.00 0.00 34.95 35.04 3fa9 s ARG 59 CO 0.02 0.09 0.15 0.95 0.02 0.00 0.00 175.30 176.52 3fa9 s THR 60 N -1.61 -0.08 0.07 0.02 -4.23 -1.26 -0.48 115.64 108.06 3fa9 s THR 60 Ca -0.04 0.21 0.01 0.00 -1.18 0.00 0.00 61.69 60.69 3fa9 s THR 60 Cb -0.08 -0.25 -0.03 0.00 1.34 0.00 0.00 72.50 73.47 3fa9 s THR 60 CO 0.01 0.08 -0.06 0.42 -0.54 0.00 0.00 174.62 174.53 3fa9 s THR 61 N 1.34 0.53 0.00 3.99 -4.23 -0.17 -5.02 115.64 112.09 3fa9 s THR 61 Ca -0.07 -1.53 0.01 0.00 -1.18 0.00 0.00 61.69 58.91 3fa9 s THR 61 Cb -0.12 -1.16 -0.00 0.00 1.34 0.00 0.00 72.50 72.56 3fa9 s THR 61 CO -0.06 -0.68 -0.02 -1.83 -0.54 0.00 0.00 174.62 171.49 3fa9 s GLU 62 N -2.84 0.18 -0.04 3.99 -1.05 -1.26 -0.88 118.70 116.81 3fa9 s GLU 62 Ca 0.01 -0.13 0.06 0.00 -0.15 0.00 0.00 54.97 54.76 3fa9 s GLU 62 Cb -0.01 -0.14 -0.02 0.00 -0.44 0.00 0.00 34.13 33.52 3fa9 s GLU 62 CO -0.03 0.04 -0.23 0.96 0.95 0.00 0.00 175.26 176.94 3fa9 s ILE 63 N -0.18 2.25 -0.17 1.83 -4.36 0.04 -4.99 121.20 115.61 3fa9 s ILE 63 Ca -0.01 -1.02 -0.01 0.00 -0.26 0.00 0.00 60.65 59.36 3fa9 s ILE 63 Cb -0.02 -1.81 -0.00 0.00 1.25 0.00 0.00 42.46 41.88 3fa9 s ILE 63 CO -0.00 0.58 -0.12 0.20 0.24 0.00 0.00 174.94 175.83 3fa9 s ASN 64 N -0.43 3.83 0.07 4.36 0.01 -1.26 -1.06 114.94 120.46 3fa9 s ASN 64 Ca 0.04 -0.45 -0.11 0.00 -0.71 0.00 0.00 52.86 51.64 3fa9 s ASN 64 Cb -0.12 -1.61 0.01 0.00 0.41 0.00 0.00 41.25 39.94 3fa9 s ASN 64 CO 0.01 0.06 0.25 0.72 -1.51 0.00 0.00 177.10 176.63 3fa9 s PHE 65 N 0.98 0.03 -0.05 2.20 -0.12 -0.52 -4.98 117.98 115.53 3fa9 s PHE 65 Ca -0.02 -0.34 0.06 0.00 -0.05 0.00 0.00 56.93 56.58 3fa9 s PHE 65 Cb -0.15 0.03 -0.02 0.00 -0.63 0.00 0.00 43.02 42.25 3fa9 s PHE 65 CO -0.02 -0.54 -0.22 0.21 -0.05 0.00 0.00 175.22 174.61 3fa9 s LYS 66 N -3.33 2.43 0.21 1.99 2.20 -1.26 0.01 119.74 122.00 3fa9 s LYS 66 Ca 0.01 -0.84 -0.32 0.00 -0.36 0.00 0.00 55.97 54.46 3fa9 s LYS 66 Cb 0.02 -2.21 -0.12 0.00 -1.51 0.00 0.00 37.83 34.01 3fa9 s LYS 66 CO -0.08 0.50 1.70 0.08 -0.36 0.00 0.00 175.35 177.19 3fa9 s VAL 67 N -0.45 2.07 0.00 4.02 1.01 -0.05 -1.73 120.40 125.27 3fa9 s VAL 67 Ca 0.05 0.05 0.00 0.00 0.00 0.00 0.00 61.98 62.08 3fa9 s VAL 67 Cb -0.12 -3.03 0.00 0.00 0.00 0.00 0.00 36.38 33.23 3fa9 s VAL 67 CO 0.01 0.00 0.00 0.61 0.00 0.00 0.00 175.10 175.73 3fa9 n GLY 68 N 3.79 0.48 3.25 4.51 0.00 0.23 -5.01 105.19 112.44 3fa9 n GLY 68 Ca 0.15 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.84 3fa9 n GLY 68 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3fa9 s GLU 69 N -0.84 3.16 0.30 1.61 2.02 -0.71 -4.97 118.70 119.28 3fa9 s GLU 69 Ca 0.00 -0.79 -0.29 0.00 0.02 0.00 0.00 54.97 53.91 3fa9 s GLU 69 Cb 0.00 -2.52 -0.10 0.00 0.10 0.00 0.00 34.13 31.61 3fa9 s GLU 69 CO 0.00 0.07 1.40 -1.21 0.02 0.00 0.00 175.26 175.54 3fa9 s GLU 70 N 0.66 4.27 0.21 1.61 2.02 -1.26 -4.54 118.70 121.67 3fa9 s GLU 70 Ca -0.09 2.31 -0.00 0.00 0.02 0.00 0.00 54.97 57.21 3fa9 s GLU 70 Cb -0.16 -3.07 -0.04 0.00 0.10 0.00 0.00 34.13 30.95 3fa9 s GLU 70 CO 0.02 -0.35 0.10 -0.59 0.02 0.00 0.00 175.26 174.46 3fa9 s PHE 71 N -0.58 1.23 -0.09 1.61 -0.71 -0.48 -4.96 117.98 114.01 3fa9 s PHE 71 Ca 0.55 -1.28 -0.01 0.00 -1.04 0.00 0.00 56.93 55.14 3fa9 s PHE 71 Cb -0.42 -0.65 -0.03 0.00 -1.21 0.00 0.00 43.02 40.71 3fa9 s PHE 71 CO 0.50 -0.51 -0.02 -1.21 -1.34 0.00 0.00 175.22 172.63 3fa9 s GLU 72 N -4.10 2.99 0.00 1.99 2.02 -1.26 0.37 118.70 120.72 3fa9 s GLU 72 Ca 0.36 -0.46 0.00 0.00 0.02 0.00 0.00 54.97 54.89 3fa9 s GLU 72 Cb 0.07 -2.75 0.00 0.00 0.10 0.00 0.00 34.13 31.56 3fa9 s GLU 72 CO 0.11 0.64 0.00 -0.85 0.02 0.00 0.00 175.26 175.17 3fa9 n GLU 73 N 2.33 0.00 -4.26 1.61 0.28 0.20 -4.94 120.64 115.86 3fa9 n GLU 73 Ca -0.18 0.00 -0.18 0.00 -0.16 0.00 0.00 57.16 56.63 3fa9 n GLU 73 Cb 0.53 0.00 -0.13 0.00 1.43 0.00 0.00 31.44 33.28 3fa9 n GLU 73 CO 0.00 0.00 0.00 -0.65 -0.16 0.00 0.00 177.13 176.32 3fa9 s GLN 74 N 1.65 0.82 1.07 3.44 -0.21 -1.26 -0.33 119.66 124.84 3fa9 s GLN 74 Ca 0.00 -0.78 -0.15 0.00 0.02 0.00 0.00 55.36 54.45 3fa9 s GLN 74 Cb 0.00 -0.80 0.22 0.00 1.00 0.00 0.00 33.01 33.43 3fa9 s GLN 74 CO 0.00 0.19 1.12 0.95 -2.12 0.00 0.00 175.29 175.43 3fa9 s THR 75 N -0.99 1.85 0.38 -0.19 -4.23 0.14 -4.80 115.64 107.79 3fa9 s THR 75 Ca -0.01 0.00 0.12 0.00 -1.18 0.00 0.00 61.69 60.62 3fa9 s THR 75 Cb -0.08 -2.56 0.34 0.00 1.34 0.00 0.00 72.50 71.54 3fa9 s THR 75 CO 0.01 0.00 1.86 1.62 -0.54 0.00 0.00 174.62 177.58 3fa9 h VAL 76 N -2.10 0.77 -0.99 2.29 3.04 -1.98 0.30 116.25 117.58 3fa9 h VAL 76 Ca -0.50 -0.20 -0.56 0.00 -1.01 0.00 0.00 66.70 64.43 3fa9 h VAL 76 Cb 1.31 0.14 -0.30 0.00 -2.01 0.00 0.00 31.29 30.43 3fa9 h VAL 76 CO 0.48 0.11 0.71 -0.90 -1.01 0.00 0.00 177.57 176.96 3fa9 n ASP 77 N -4.55 4.96 -0.31 3.17 5.75 -1.26 -4.93 116.55 119.37 3fa9 n ASP 77 Ca 0.18 -3.67 -0.04 0.00 -0.01 0.00 0.00 54.79 51.25 3fa9 n ASP 77 Cb 0.55 -0.88 -0.02 0.00 -1.03 0.00 0.00 41.12 39.74 3fa9 n ASP 77 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 3fa9 n GLY 78 N -1.08 0.69 3.63 6.12 0.00 0.10 -5.02 105.19 109.65 3fa9 n GLY 78 Ca 0.60 -0.60 -0.39 0.00 0.00 0.00 0.00 46.02 45.63 3fa9 n GLY 78 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3fa9 s ARG 79 N -1.97 4.10 0.14 1.61 0.52 -1.25 -4.73 118.95 117.37 3fa9 s ARG 79 Ca 0.00 0.28 -0.34 0.00 -0.52 0.00 0.00 55.73 55.15 3fa9 s ARG 79 Cb 0.00 -3.62 -0.17 0.00 0.52 0.00 0.00 34.95 31.69 3fa9 s ARG 79 CO 0.00 -0.25 1.02 -0.35 0.02 0.00 0.00 175.30 175.74 3fa9 n PRO 80 N 5.18 0.67 -3.77 3.54 -0.04 -1.26 -0.69 135.00 138.64 3fa9 n PRO 80 Ca -0.06 0.24 -0.09 0.00 -0.04 0.00 0.00 63.50 63.55 3fa9 n PRO 80 Cb 0.50 -1.64 -0.06 0.00 -0.04 0.00 0.00 33.50 32.26 3fa9 n PRO 80 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 3fa9 s LYS 82 N -3.78 4.16 0.18 0.00 2.20 -0.31 -0.63 119.74 121.55 3fa9 s LYS 82 Ca 0.04 -0.11 0.11 0.00 -0.36 0.00 0.00 55.97 55.65 3fa9 s LYS 82 Cb 0.03 -3.40 -0.04 0.00 -1.51 0.00 0.00 37.83 32.91 3fa9 s LYS 82 CO -0.11 0.32 -0.21 -1.12 -0.36 0.00 0.00 175.35 173.87 3fa9 s SER 83 N 0.28 3.60 -0.06 1.43 0.01 0.16 -1.32 113.70 117.80 3fa9 s SER 83 Ca 0.11 -0.78 -0.02 0.00 1.31 0.00 0.00 55.95 56.57 3fa9 s SER 83 Cb -0.12 -0.36 0.04 0.00 0.21 0.00 0.00 66.02 65.79 3fa9 s SER 83 CO 0.00 0.13 0.10 -0.22 0.41 0.00 0.00 173.24 173.66 3fa9 s LEU 84 N -2.59 0.08 -0.12 2.44 2.96 -0.79 -1.38 118.68 119.28 3fa9 s LEU 84 Ca 0.21 0.18 -0.06 0.00 -0.22 0.00 0.00 54.13 54.23 3fa9 s LEU 84 Cb -0.08 0.02 -0.04 0.00 0.50 0.00 0.00 46.19 46.59 3fa9 s LEU 84 CO 0.10 -0.25 0.12 -0.69 -1.32 0.00 0.00 176.35 174.31 3fa9 s VAL 85 N 2.19 5.30 0.05 1.68 1.01 -1.26 -2.02 120.40 127.34 3fa9 s VAL 85 Ca 0.04 0.13 0.03 0.00 0.00 0.00 0.00 61.98 62.18 3fa9 s VAL 85 Cb -0.12 -3.30 -0.03 0.00 0.00 0.00 0.00 36.38 32.94 3fa9 s VAL 85 CO -0.04 0.61 -0.10 -0.75 0.00 0.00 0.00 175.10 174.83 3fa9 s LYS 86 N -0.98 0.61 -0.03 2.72 2.47 -0.13 -0.60 119.74 123.80 3fa9 s LYS 86 Ca 0.15 -0.81 -0.30 0.00 -1.56 0.00 0.00 55.97 53.45 3fa9 s LYS 86 Cb -0.12 -0.44 -0.04 0.00 -1.46 0.00 0.00 37.83 35.78 3fa9 s LYS 86 CO 0.04 0.09 1.19 -1.58 0.16 0.00 0.00 175.35 175.24 3fa9 s TRP 87 N -1.35 3.26 -0.02 4.03 0.52 -1.26 -0.77 118.94 123.36 3fa9 s TRP 87 Ca -0.08 1.26 0.06 0.00 0.02 0.00 0.00 56.10 57.37 3fa9 s TRP 87 Cb -0.10 -3.40 -0.24 0.00 -1.15 0.00 0.00 33.47 28.58 3fa9 s TRP 87 CO 0.01 -1.22 0.74 1.49 0.02 0.00 0.00 176.95 177.99 3fa9 h GLU 88 N 7.30 0.08 0.00 4.98 4.81 -1.12 -3.47 114.58 127.16 3fa9 h GLU 88 Ca -0.36 -0.14 -0.03 0.00 -0.13 0.00 0.00 59.36 58.71 3fa9 h GLU 88 Cb 1.17 0.05 -0.00 0.00 0.63 0.00 0.00 28.75 30.60 3fa9 h GLU 88 CO 0.86 0.77 0.07 -1.13 -0.73 0.00 0.00 179.01 178.85 3fa9 n SER 89 N -3.22 -0.73 0.12 1.04 3.41 -0.99 -4.98 113.62 108.27 3fa9 n SER 89 Ca -0.17 -1.57 0.05 0.00 -0.26 0.00 0.00 58.87 56.93 3fa9 n SER 89 Cb 1.03 1.24 0.50 0.00 -0.26 0.00 0.00 64.21 66.72 3fa9 n SER 89 CO 0.00 0.00 0.00 -0.08 -0.16 0.00 0.00 175.04 174.80 3fa9 h GLU 90 N 0.00 0.28 -0.32 4.33 4.81 -2.02 -2.98 114.58 118.68 3fa9 h GLU 90 Ca -0.11 -0.02 0.00 0.00 -0.13 0.00 0.00 59.36 59.09 3fa9 h GLU 90 Cb 0.42 -0.06 0.00 0.00 0.63 0.00 0.00 28.75 29.74 3fa9 h GLU 90 CO 0.14 0.22 0.00 0.27 -0.73 0.00 0.00 179.01 178.92 3fa9 n ASN 91 N -4.46 3.12 -3.73 1.04 6.94 -1.26 -4.86 115.26 112.05 3fa9 n ASN 91 Ca 0.00 -2.24 -0.13 0.00 -0.02 0.00 0.00 54.58 52.19 3fa9 n ASN 91 Cb 0.11 -0.30 -0.14 0.00 -2.36 0.00 0.00 39.78 37.09 3fa9 n ASN 91 CO 0.00 0.00 0.00 -0.75 -1.03 0.00 0.00 177.26 175.48 3fa9 s LYS 92 N -1.44 0.14 0.12 -3.83 2.20 -1.13 -1.66 119.74 114.15 3fa9 s LYS 92 Ca 0.27 0.46 0.07 0.00 -0.36 0.00 0.00 55.97 56.42 3fa9 s LYS 92 Cb 0.17 -0.16 -0.04 0.00 -1.51 0.00 0.00 37.83 36.29 3fa9 s LYS 92 CO 0.14 -0.18 -0.10 0.00 -0.36 0.00 0.00 175.35 174.85 3fa9 s MET 93 N 1.32 2.11 -0.01 4.03 0.23 -0.42 -0.50 119.30 126.04 3fa9 s MET 93 Ca -0.08 -1.07 0.04 0.00 -1.03 0.00 0.00 55.69 53.55 3fa9 s MET 93 Cb -0.11 -2.28 -0.01 0.00 -1.53 0.00 0.00 34.83 30.90 3fa9 s MET 93 CO -0.07 0.49 -0.14 0.08 -2.03 0.00 0.00 175.02 173.36 3fa9 s VAL 94 N -1.30 1.08 -0.17 5.16 1.01 0.05 -1.86 120.40 124.37 3fa9 s VAL 94 Ca 0.22 -0.57 0.01 0.00 0.00 0.00 0.00 61.98 61.63 3fa9 s VAL 94 Cb -0.11 -0.91 0.03 0.00 0.00 0.00 0.00 36.38 35.39 3fa9 s VAL 94 CO 0.14 0.31 -0.15 0.00 0.00 0.00 0.00 175.10 175.40 3fa9 s GLU 96 N 1.41 4.22 0.06 0.00 -1.05 -0.86 -1.60 118.70 120.88 3fa9 s GLU 96 Ca 0.03 0.62 0.08 0.00 -0.15 0.00 0.00 54.97 55.56 3fa9 s GLU 96 Cb -0.14 -3.32 -0.03 0.00 -0.44 0.00 0.00 34.13 30.20 3fa9 s GLU 96 CO -0.11 0.45 -0.21 -0.65 0.95 0.00 0.00 175.26 175.69 3fa9 s GLN 97 N -0.40 1.90 -0.07 -4.83 -0.21 -1.09 -1.89 119.66 113.08 3fa9 s GLN 97 Ca 0.28 -1.08 -0.01 0.00 0.02 0.00 0.00 55.36 54.57 3fa9 s GLN 97 Cb -0.18 -2.10 0.03 0.00 1.00 0.00 0.00 33.01 31.76 3fa9 s GLN 97 CO 0.16 0.52 0.00 0.21 -2.12 0.00 0.00 175.29 174.05 3fa9 s LYS 98 N -1.57 0.59 0.33 2.91 2.20 -0.43 -4.58 119.74 119.18 3fa9 s LYS 98 Ca 0.14 0.11 -0.28 0.00 -0.36 0.00 0.00 55.97 55.59 3fa9 s LYS 98 Cb -0.10 -0.95 -0.13 0.00 -1.51 0.00 0.00 37.83 35.14 3fa9 s LYS 98 CO 0.05 -0.30 1.17 1.28 -0.36 0.00 0.00 175.35 177.20 3fa9 n LEU 99 N 5.11 2.87 0.08 5.43 4.77 -1.26 -1.16 117.00 132.83 3fa9 n LEU 99 Ca -0.08 1.18 -0.09 0.00 -0.03 0.00 0.00 56.01 57.00 3fa9 n LEU 99 Cb 0.50 -1.41 0.00 0.00 -2.33 0.00 0.00 43.42 40.19 3fa9 n LEU 99 CO 0.11 -0.89 0.27 -0.07 -1.33 0.00 0.00 177.39 175.48 3fa9 h LEU 100 N 2.26 0.32 -7.50 2.23 3.38 -1.82 -3.45 115.31 110.73 3fa9 h LEU 100 Ca -0.44 -0.24 -0.27 0.00 0.09 0.00 0.00 57.88 57.02 3fa9 h LEU 100 Cb 1.31 -0.10 -0.32 0.00 0.09 0.00 0.00 40.66 41.64 3fa9 h LEU 100 CO 0.61 1.03 -0.66 -0.54 0.09 0.00 0.00 178.44 178.97 3fa9 s LYS 101 N -3.30 0.03 0.46 1.13 1.02 -1.26 -5.10 119.74 112.72 3fa9 s LYS 101 Ca -0.04 0.26 0.00 0.00 0.02 0.00 0.00 55.97 56.21 3fa9 s LYS 101 Cb 0.10 -0.19 0.00 0.00 -0.52 0.00 0.00 37.83 37.23 3fa9 s LYS 101 CO 0.83 -0.15 0.00 0.41 -0.92 0.00 0.00 175.35 175.52 3fa9 n GLY 102 N 4.06 -1.95 3.49 -3.33 0.00 -1.26 -5.00 105.19 101.20 3fa9 n GLY 102 Ca -0.25 -1.76 -0.24 0.00 0.00 0.00 0.00 46.02 43.77 3fa9 n GLY 102 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3fa9 s GLU 103 N -0.04 1.69 0.02 1.61 2.02 -1.26 -4.84 118.70 117.89 3fa9 s GLU 103 Ca 0.00 -1.84 -0.12 0.00 0.02 0.00 0.00 54.97 53.03 3fa9 s GLU 103 Cb 0.00 -1.56 0.04 0.00 0.10 0.00 0.00 34.13 32.71 3fa9 s GLU 103 CO 0.00 0.17 0.55 0.41 0.02 0.00 0.00 175.26 176.41 3fa9 n GLY 104 N -0.67 0.59 3.71 -1.39 0.00 -1.26 -5.11 105.19 101.06 3fa9 n GLY 104 Ca -0.05 -0.96 -0.33 0.00 0.00 0.00 0.00 46.02 44.68 3fa9 n GLY 104 CO 0.00 0.00 0.00 -4.14 0.00 0.00 0.00 173.32 169.18 3fa9 s PRO 105 N -2.01 1.71 -0.21 1.61 0.02 -1.26 -4.94 135.00 129.92 3fa9 s PRO 105 Ca 0.13 1.61 -0.29 0.00 0.02 0.00 0.00 61.00 62.47 3fa9 s PRO 105 Cb -0.01 -1.80 -0.01 0.00 0.02 0.00 0.00 34.50 32.71 3fa9 s PRO 105 CO 0.00 -2.13 1.24 0.21 -0.33 0.00 0.00 177.00 175.99 3fa9 s LYS 106 N -4.31 4.15 0.00 5.54 2.20 -1.26 -4.85 119.74 121.21 3fa9 s LYS 106 Ca 0.70 1.51 0.07 0.00 -0.36 0.00 0.00 55.97 57.89 3fa9 s LYS 106 Cb -0.25 -3.78 -0.03 0.00 -1.51 0.00 0.00 37.83 32.26 3fa9 s LYS 106 CO 0.51 -0.80 -0.20 0.95 -0.36 0.00 0.00 175.35 175.45 3fa9 s THR 107 N 3.69 2.59 0.20 3.43 -4.23 -1.26 -0.38 115.64 119.67 3fa9 s THR 107 Ca 0.54 -1.08 -0.15 0.00 -1.18 0.00 0.00 61.69 59.81 3fa9 s THR 107 Cb -0.19 -2.02 0.01 0.00 1.34 0.00 0.00 72.50 71.64 3fa9 s THR 107 CO 0.16 0.46 0.48 -0.94 -0.54 0.00 0.00 174.62 174.24 3fa9 s SER 108 N -1.03 -0.17 0.11 3.99 1.04 -0.74 -2.67 113.70 114.23 3fa9 s SER 108 Ca 0.12 -0.65 -0.02 0.00 0.48 0.00 0.00 55.95 55.88 3fa9 s SER 108 Cb -0.10 0.56 -0.04 0.00 0.10 0.00 0.00 66.02 66.54 3fa9 s SER 108 CO 0.02 -1.06 0.06 -1.66 0.98 0.00 0.00 173.24 171.58 3fa9 s TRP 109 N -3.92 0.70 0.03 5.02 1.48 -0.63 -1.07 118.94 120.55 3fa9 s TRP 109 Ca 0.13 -1.12 -0.00 0.00 -1.06 0.00 0.00 56.10 54.05 3fa9 s TRP 109 Cb -0.00 -0.40 -0.03 0.00 -1.16 0.00 0.00 33.47 31.88 3fa9 s TRP 109 CO 0.01 -0.50 -0.03 0.95 -4.06 0.00 0.00 176.95 173.31 3fa9 s THR 110 N -4.00 0.15 -0.04 0.66 -4.23 -0.55 -0.26 115.64 107.37 3fa9 s THR 110 Ca 0.18 -1.17 0.01 0.00 -1.18 0.00 0.00 61.69 59.53 3fa9 s THR 110 Cb 0.07 -0.63 0.02 0.00 1.34 0.00 0.00 72.50 73.31 3fa9 s THR 110 CO -0.02 -0.64 -0.05 -0.76 -0.54 0.00 0.00 174.62 172.61 3fa9 s LEU 111 N -1.88 1.40 -0.01 4.79 1.43 -0.78 -1.84 118.68 121.80 3fa9 s LEU 111 Ca -0.09 -0.13 -0.10 0.00 -1.03 0.00 0.00 54.13 52.78 3fa9 s LEU 111 Cb -0.05 -0.45 0.01 0.00 0.03 0.00 0.00 46.19 45.73 3fa9 s LEU 111 CO -0.04 -0.04 0.20 -1.83 0.23 0.00 0.00 176.35 174.87 3fa9 s GLU 112 N 0.80 0.52 -0.18 1.70 -1.05 -0.36 -1.31 118.70 118.82 3fa9 s GLU 112 Ca -0.11 -0.27 -0.07 0.00 -0.15 0.00 0.00 54.97 54.38 3fa9 s GLU 112 Cb -0.14 0.22 -0.04 0.00 -0.44 0.00 0.00 34.13 33.74 3fa9 s GLU 112 CO 0.00 -0.13 0.05 -0.51 0.95 0.00 0.00 175.26 175.63 3fa9 s LEU 113 N -1.21 3.76 0.73 1.83 1.43 -0.66 0.13 118.68 124.68 3fa9 s LEU 113 Ca -0.13 0.07 -0.07 0.00 -1.03 0.00 0.00 54.13 52.96 3fa9 s LEU 113 Cb -0.06 -1.94 0.07 0.00 0.03 0.00 0.00 46.19 44.29 3fa9 s LEU 113 CO 0.02 0.18 1.05 0.42 0.23 0.00 0.00 176.35 178.25 3fa9 s THR 114 N 0.32 2.23 -0.88 5.49 -4.23 -0.26 -4.91 115.64 113.40 3fa9 s THR 114 Ca 0.03 -0.24 0.27 0.00 -1.18 0.00 0.00 61.69 60.57 3fa9 s THR 114 Cb -0.12 -2.99 0.26 0.00 1.34 0.00 0.00 72.50 70.99 3fa9 s THR 114 CO 0.00 0.00 1.85 -3.20 -0.54 0.00 0.00 174.62 172.73 3fa9 n ASN 115 N -3.00 0.35 -0.37 3.99 2.85 -1.26 -1.61 115.26 116.22 3fa9 n ASN 115 Ca 0.09 0.54 0.12 0.00 -0.11 0.00 0.00 54.58 55.21 3fa9 n ASN 115 Cb 0.60 -0.63 0.52 0.00 1.24 0.00 0.00 39.78 41.52 3fa9 n ASN 115 CO 0.00 0.00 0.00 0.47 -2.11 0.00 0.00 177.26 175.62 3fa9 n ASP 116 N -1.83 1.12 -1.39 1.20 8.00 -1.26 -4.95 116.55 117.45 3fa9 n ASP 116 Ca 0.06 -1.51 -0.08 0.00 0.71 0.00 0.00 54.79 53.97 3fa9 n ASP 116 Cb 0.37 -0.04 0.02 0.00 -0.02 0.00 0.00 41.12 41.45 3fa9 n ASP 116 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 3fa9 n GLY 117 N 1.07 0.33 3.91 0.44 0.00 -0.63 -5.05 105.19 105.26 3fa9 n GLY 117 Ca 0.18 -0.41 -0.31 0.00 0.00 0.00 0.00 46.02 45.48 3fa9 n GLY 117 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3fa9 s GLU 118 N -5.17 3.55 -0.21 1.61 2.02 -1.26 -4.40 118.70 114.84 3fa9 s GLU 118 Ca 0.15 -0.23 -0.06 0.00 0.02 0.00 0.00 54.97 54.86 3fa9 s GLU 118 Cb -0.07 -2.91 -0.03 0.00 0.10 0.00 0.00 34.13 31.23 3fa9 s GLU 118 CO 0.19 0.51 0.03 -1.17 0.02 0.00 0.00 175.26 174.83 3fa9 s LEU 119 N -2.67 3.37 -0.21 1.80 2.96 -0.02 -1.10 118.68 122.80 3fa9 s LEU 119 Ca 0.39 -0.17 -0.06 0.00 -0.22 0.00 0.00 54.13 54.06 3fa9 s LEU 119 Cb -0.12 -1.87 -0.03 0.00 0.50 0.00 0.00 46.19 44.67 3fa9 s LEU 119 CO 0.26 0.05 0.04 -0.63 -1.32 0.00 0.00 176.35 174.75 3fa9 s ILE 120 N 1.10 4.30 -0.21 6.68 1.01 0.12 -0.99 121.20 133.21 3fa9 s ILE 120 Ca 0.03 -0.19 -0.02 0.00 0.00 0.00 0.00 60.65 60.47 3fa9 s ILE 120 Cb -0.14 -2.97 0.00 0.00 0.01 0.00 0.00 42.46 39.36 3fa9 s ILE 120 CO 0.02 0.40 -0.09 -0.62 0.00 0.00 0.00 174.94 174.65 3fa9 s ASP 121 N 1.07 3.94 0.09 3.58 -1.08 0.36 -1.23 116.67 123.40 3fa9 s ASP 121 Ca 0.03 -0.47 0.08 0.00 -0.52 0.00 0.00 52.55 51.68 3fa9 s ASP 121 Cb -0.14 -1.66 -0.04 0.00 -1.46 0.00 0.00 42.92 39.62 3fa9 s ASP 121 CO 0.03 -0.01 -0.17 0.42 0.52 0.00 0.00 175.17 175.96 3fa9 s THR 122 N 1.39 2.93 -0.06 1.71 -4.23 -0.76 -0.06 115.64 116.56 3fa9 s THR 122 Ca 0.05 -1.38 0.01 0.00 -1.18 0.00 0.00 61.69 59.19 3fa9 s THR 122 Cb -0.14 -2.32 0.02 0.00 1.34 0.00 0.00 72.50 71.40 3fa9 s THR 122 CO -0.06 0.16 -0.06 -0.04 -0.54 0.00 0.00 174.62 174.08 3fa9 s MET 123 N -1.97 1.10 -0.02 3.99 -1.94 0.41 -1.48 119.30 119.39 3fa9 s MET 123 Ca 0.18 -0.17 0.05 0.00 -1.71 0.00 0.00 55.69 54.04 3fa9 s MET 123 Cb -0.11 -1.10 -0.03 0.00 2.01 0.00 0.00 34.83 35.61 3fa9 s MET 123 CO 0.09 -0.11 -0.18 0.99 -0.01 0.00 0.00 175.02 175.80 3fa9 s THR 124 N 1.12 2.75 -0.22 2.05 2.01 -0.23 -0.48 115.64 122.65 3fa9 s THR 124 Ca -0.07 -0.92 -0.02 0.00 0.31 0.00 0.00 61.69 60.99 3fa9 s THR 124 Cb -0.14 -2.07 0.07 0.00 0.01 0.00 0.00 72.50 70.36 3fa9 s THR 124 CO -0.01 0.53 0.03 0.00 -0.69 0.00 0.00 174.62 174.48 3fa9 s ALA 125 N -0.75 1.24 0.00 7.40 0.00 -0.38 -1.78 121.76 127.49 3fa9 s ALA 125 Ca 0.12 -0.94 0.00 0.00 0.00 0.00 0.00 51.96 51.14 3fa9 s ALA 125 Cb -0.10 -1.28 0.00 0.00 0.00 0.00 0.00 23.12 21.73 3fa9 s ALA 125 CO 0.01 -1.25 0.00 -0.25 0.00 0.00 0.00 175.76 174.28 3fa9 n ASP 126 N 4.96 0.00 -1.41 0.00 8.00 0.48 -1.68 116.55 126.89 3fa9 n ASP 126 Ca -0.09 0.00 0.10 0.00 0.71 0.00 0.00 54.79 55.52 3fa9 n ASP 126 Cb 0.46 0.00 0.33 0.00 -0.02 0.00 0.00 41.12 41.89 3fa9 n ASP 126 CO 0.00 0.00 0.00 -0.90 -0.39 0.00 0.00 177.20 175.91 3fa9 n ASP 127 N 9.71 4.28 -4.35 -2.24 5.75 -1.26 -4.93 116.55 123.52 3fa9 n ASP 127 Ca 0.00 -2.23 -0.33 0.00 -0.01 0.00 0.00 54.79 52.22 3fa9 n ASP 127 Cb 0.00 -0.52 -0.15 0.00 -1.03 0.00 0.00 41.12 39.43 3fa9 n ASP 127 CO 0.00 0.00 0.00 -0.69 -0.11 0.00 0.00 177.20 176.40 3fa9 s VAL 128 N -1.43 2.97 -0.10 2.12 1.01 -0.68 -5.11 120.40 119.18 3fa9 s VAL 128 Ca 0.48 -0.68 0.04 0.00 0.00 0.00 0.00 61.98 61.82 3fa9 s VAL 128 Cb 0.28 -2.25 -0.01 0.00 0.00 0.00 0.00 36.38 34.41 3fa9 s VAL 128 CO 0.28 0.52 -0.22 -0.69 0.00 0.00 0.00 175.10 174.99 3fa9 s VAL 129 N 0.46 2.28 -0.10 2.92 1.01 -1.26 -1.25 120.40 124.45 3fa9 s VAL 129 Ca -0.10 -0.95 -0.00 0.00 0.00 0.00 0.00 61.98 60.93 3fa9 s VAL 129 Cb -0.16 -1.88 -0.03 0.00 0.00 0.00 0.00 36.38 34.32 3fa9 s VAL 129 CO 0.05 0.56 -0.08 0.00 0.00 0.00 0.00 175.10 175.62 3fa9 s THR 131 N -0.35 1.94 0.08 0.00 2.01 -0.75 -0.45 115.64 118.12 3fa9 s THR 131 Ca 0.05 -0.98 0.08 0.00 0.31 0.00 0.00 61.69 61.15 3fa9 s THR 131 Cb -0.12 -1.67 -0.03 0.00 0.01 0.00 0.00 72.50 70.69 3fa9 s THR 131 CO 0.02 0.54 -0.22 -0.54 -0.69 0.00 0.00 174.62 173.73 3fa9 s LYS 132 N 0.13 1.29 -0.03 4.92 1.02 0.91 -0.12 119.74 127.85 3fa9 s LYS 132 Ca -0.11 -1.09 0.03 0.00 0.02 0.00 0.00 55.97 54.82 3fa9 s LYS 132 Cb -0.16 -1.51 -0.00 0.00 -0.52 0.00 0.00 37.83 35.64 3fa9 s LYS 132 CO 0.06 0.37 -0.12 0.08 -0.92 0.00 0.00 175.35 174.81 3fa9 s VAL 133 N -1.00 1.02 0.20 3.17 1.01 0.02 -0.49 120.40 124.34 3fa9 s VAL 133 Ca 0.08 -0.51 0.08 0.00 0.00 0.00 0.00 61.98 61.63 3fa9 s VAL 133 Cb -0.10 -0.88 -0.04 0.00 0.00 0.00 0.00 36.38 35.36 3fa9 s VAL 133 CO 0.03 0.30 -0.16 -0.36 0.00 0.00 0.00 175.10 174.91 3fa9 s PHE 134 N 0.02 1.80 0.14 5.22 0.40 -0.17 0.27 117.98 125.67 3fa9 s PHE 134 Ca -0.01 -0.51 0.03 0.00 -0.60 0.00 0.00 56.93 55.84 3fa9 s PHE 134 Cb -0.08 -0.85 -0.04 0.00 0.51 0.00 0.00 43.02 42.55 3fa9 s PHE 134 CO 0.01 0.38 -0.07 0.14 0.70 0.00 0.00 175.22 176.37 3fa9 s VAL 135 N -2.58 0.99 0.31 -0.44 -7.23 -0.56 -0.84 120.40 110.04 3fa9 s VAL 135 Ca 0.20 -2.02 -0.27 0.00 -1.81 0.00 0.00 61.98 58.08 3fa9 s VAL 135 Cb -0.03 -1.88 -0.10 0.00 0.56 0.00 0.00 36.38 34.93 3fa9 s VAL 135 CO 0.07 -0.71 0.97 -0.13 -0.31 0.00 0.00 175.10 175.00 3fa9 s ARG 136 N -3.80 4.60 0.00 4.82 0.52 -1.26 -0.69 118.95 123.14 3fa9 s ARG 136 Ca 0.17 1.45 0.29 0.00 -0.52 0.00 0.00 55.73 57.12 3fa9 s ARG 136 Cb 0.04 -2.93 1.74 0.00 0.52 0.00 0.00 34.95 34.32 3fa9 s ARG 136 CO 0.00 0.27 2.08 -1.91 0.02 0.00 0.00 175.30 175.76