#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1smx n ASN 40 N 0.00 5.80 -3.65 0.00 5.15 -1.26 -4.87 115.26 116.43 1smx n ASN 40 Ca 0.00 -3.22 -0.12 0.00 -0.60 0.00 0.00 54.58 50.64 1smx n ASN 40 Cb 0.00 -1.40 -0.08 0.00 -0.53 0.00 0.00 39.78 37.77 1smx n ASN 40 CO 0.00 0.00 0.00 -0.51 1.40 0.00 0.00 177.26 178.15 1smx s ILE 41 N -0.78 -0.00 0.03 -1.44 2.07 -1.26 -4.59 121.20 115.23 1smx s ILE 41 Ca 0.39 0.01 -0.04 0.00 -1.41 0.00 0.00 60.65 59.60 1smx s ILE 41 Cb 0.10 -0.90 -0.02 0.00 0.13 0.00 0.00 42.46 41.77 1smx s ILE 41 CO 0.02 0.00 0.05 -0.31 -1.91 0.00 0.00 174.94 172.79 1smx s TYR 42 N 0.72 0.23 -0.33 3.50 1.51 0.11 -5.01 117.35 118.09 1smx s TYR 42 Ca -0.03 -0.52 -0.15 0.00 -1.01 0.00 0.00 57.07 55.36 1smx s TYR 42 Cb -0.05 -0.17 -0.02 0.00 -0.11 0.00 0.00 41.96 41.61 1smx s TYR 42 CO -0.05 -0.30 0.36 0.21 -1.11 0.00 0.00 175.55 174.66 1smx s LYS 43 N -2.23 3.62 0.05 -0.62 2.20 -1.26 -1.17 119.74 120.34 1smx s LYS 43 Ca -0.08 -0.37 0.05 0.00 -0.36 0.00 0.00 55.97 55.21 1smx s LYS 43 Cb -0.04 -3.79 -0.04 0.00 -1.51 0.00 0.00 37.83 32.46 1smx s LYS 43 CO -0.03 -0.50 -0.08 0.20 -0.36 0.00 0.00 175.35 174.59 1smx s GLY 44 N 1.73 1.78 -0.13 5.54 0.00 0.11 -4.61 107.32 111.73 1smx s GLY 44 Ca 0.12 -1.12 -0.04 0.00 0.00 0.00 0.00 44.72 43.68 1smx s GLY 44 CO 0.12 -1.04 0.00 1.25 0.00 0.00 0.00 173.10 173.43 1smx s LYS 45 N -1.80 3.46 -0.09 2.90 2.20 0.07 -0.54 119.74 125.93 1smx s LYS 45 Ca 0.20 -0.43 -0.30 0.00 -0.36 0.00 0.00 55.97 55.08 1smx s LYS 45 Cb -0.11 -2.93 -0.03 0.00 -1.51 0.00 0.00 37.83 33.25 1smx s LYS 45 CO 0.11 0.44 1.23 0.42 -0.36 0.00 0.00 175.35 177.18 1smx s ILE 46 N -0.15 4.26 -0.24 5.43 -1.09 -0.35 -1.00 121.20 128.07 1smx s ILE 46 Ca 0.05 1.56 0.06 0.00 -2.23 0.00 0.00 60.65 60.08 1smx s ILE 46 Cb -0.13 -4.01 -0.18 0.00 -1.58 0.00 0.00 42.46 36.57 1smx s ILE 46 CO 0.02 -0.05 -0.15 0.35 -1.23 0.00 0.00 174.94 173.88 1smx n THR 47 N 4.89 1.41 -3.73 2.92 -2.24 -0.16 -0.88 114.28 116.50 1smx n THR 47 Ca 0.12 -0.62 -0.13 0.00 -2.27 0.00 0.00 64.05 61.16 1smx n THR 47 Cb 0.46 -1.17 -0.10 0.00 -2.10 0.00 0.00 70.33 67.42 1smx n THR 47 CO 0.00 0.00 0.00 -0.60 -0.57 0.00 0.00 175.07 173.90 1smx s ARG 48 N -2.49 0.46 -0.14 -0.78 3.52 -1.22 -4.88 118.95 113.42 1smx s ARG 48 Ca -0.28 0.60 -0.02 0.00 -0.13 0.00 0.00 55.73 55.90 1smx s ARG 48 Cb 0.08 0.19 -0.03 0.00 -1.56 0.00 0.00 34.95 33.63 1smx s ARG 48 CO 0.63 -0.07 -0.06 0.42 -0.81 0.00 0.00 175.30 175.41 1smx s ILE 49 N 0.43 3.73 -0.43 4.11 1.01 -1.26 -0.01 121.20 128.77 1smx s ILE 49 Ca -0.02 -0.43 0.04 0.00 0.00 0.00 0.00 60.65 60.24 1smx s ILE 49 Cb -0.04 -2.61 0.12 0.00 0.01 0.00 0.00 42.46 39.94 1smx s ILE 49 CO -0.02 0.52 0.17 -0.70 0.00 0.00 0.00 174.94 174.90 1smx s GLU 50 N 0.17 1.64 0.44 2.79 2.56 0.06 -4.99 118.70 121.37 1smx s GLU 50 Ca -0.03 -2.18 0.14 0.00 0.00 0.00 0.00 54.97 52.89 1smx s GLU 50 Cb -0.14 -3.10 1.04 0.00 2.00 0.00 0.00 34.13 33.93 1smx s GLU 50 CO 0.03 -1.04 2.00 -1.35 -0.56 0.00 0.00 175.26 174.35 1smx h PRO 51 N 7.05 0.37 0.00 4.30 0.11 -1.97 -1.90 132.00 139.96 1smx h PRO 51 Ca -0.06 -0.02 -0.00 0.00 0.11 0.00 0.00 66.00 66.02 1smx h PRO 51 Cb 0.95 -0.08 -0.00 0.00 0.11 0.00 0.00 31.00 31.98 1smx h PRO 51 CO 0.59 0.24 -0.02 0.66 -0.21 0.00 0.00 178.00 179.27 1smx h SER 52 N 0.38 0.00 -0.01 -2.05 4.64 -1.94 -2.35 113.55 112.22 1smx h SER 52 Ca 0.24 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.56 1smx h SER 52 Cb 0.44 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.53 1smx h SER 52 CO -0.06 0.02 -0.14 0.18 -0.87 0.00 0.00 176.83 175.96 1smx n LEU 53 N -3.14 1.92 -4.02 5.97 4.77 -0.82 -5.00 117.00 116.67 1smx n LEU 53 Ca -0.01 -0.89 -0.35 0.00 -0.03 0.00 0.00 56.01 54.74 1smx n LEU 53 Cb 0.25 0.00 -0.01 0.00 -2.33 0.00 0.00 43.42 41.32 1smx n LEU 53 CO 0.26 0.35 -0.24 -0.62 -1.33 0.00 0.00 177.39 175.81 1smx n GLU 54 N 0.39 -1.39 -3.75 3.23 -0.58 -0.78 -4.85 120.64 112.91 1smx n GLU 54 Ca 0.08 0.24 -0.10 0.00 -0.42 0.00 0.00 57.16 56.96 1smx n GLU 54 Cb 0.34 -3.62 -0.05 0.00 -0.57 0.00 0.00 31.44 27.55 1smx n GLU 54 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 1smx s ALA 55 N -3.83 -0.77 0.10 0.62 0.00 -1.10 -1.18 121.76 115.60 1smx s ALA 55 Ca 0.25 -0.30 0.08 0.00 0.00 0.00 0.00 51.96 52.00 1smx s ALA 55 Cb -0.12 0.81 -0.03 0.00 0.00 0.00 0.00 23.12 23.78 1smx s ALA 55 CO 0.93 -0.74 -0.21 0.00 0.00 0.00 0.00 175.76 175.75 1smx s ALA 56 N -3.87 1.81 0.01 0.00 0.00 -0.01 -0.76 121.76 118.94 1smx s ALA 56 Ca 0.09 -1.25 -0.12 0.00 0.00 0.00 0.00 51.96 50.69 1smx s ALA 56 Cb 0.00 -0.25 -0.05 0.00 0.00 0.00 0.00 23.12 22.82 1smx s ALA 56 CO -0.05 0.36 0.36 -0.06 0.00 0.00 0.00 175.76 176.38 1smx s PHE 57 N -1.16 3.65 -0.08 0.00 0.08 0.99 -0.80 117.98 120.66 1smx s PHE 57 Ca 0.06 0.84 0.00 0.00 0.12 0.00 0.00 56.93 57.96 1smx s PHE 57 Cb -0.10 -2.18 0.02 0.00 -0.57 0.00 0.00 43.02 40.19 1smx s PHE 57 CO 0.04 0.61 -0.07 0.08 -0.10 0.00 0.00 175.22 175.79 1smx s VAL 58 N -1.20 0.84 -0.53 -0.44 1.01 -0.26 -0.99 120.40 118.83 1smx s VAL 58 Ca 0.26 -0.23 -0.25 0.00 0.00 0.00 0.00 61.98 61.77 1smx s VAL 58 Cb -0.15 -0.85 0.04 0.00 0.00 0.00 0.00 36.38 35.41 1smx s VAL 58 CO 0.14 0.32 0.95 -0.62 0.00 0.00 0.00 175.10 175.88 1smx s ASP 59 N 1.33 6.38 -0.03 3.32 -1.08 -0.17 0.17 116.67 126.59 1smx s ASP 59 Ca -0.03 -0.23 0.12 0.00 -0.52 0.00 0.00 52.55 51.89 1smx s ASP 59 Cb -0.14 -2.44 0.35 0.00 -1.46 0.00 0.00 42.92 39.23 1smx s ASP 59 CO -0.03 -1.19 1.28 0.00 0.52 0.00 0.00 175.17 175.75 1smx n TYR 60 N 7.43 0.55 0.00 -5.34 4.11 -1.26 -0.75 117.16 121.89 1smx n TYR 60 Ca 0.03 -0.57 0.00 0.00 -0.00 0.00 0.00 57.90 57.36 1smx n TYR 60 Cb 0.48 -0.08 0.00 0.00 -0.00 0.00 0.00 39.34 39.73 1smx n TYR 60 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.86 177.27 1smx n GLY 61 N 0.31 0.77 3.92 -7.48 0.00 -1.26 -4.80 105.19 96.64 1smx n GLY 61 Ca 0.13 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.89 1smx n GLY 61 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1smx s ALA 62 N -2.00 3.47 0.04 4.61 0.00 -1.26 -5.02 121.76 121.59 1smx s ALA 62 Ca 0.00 -0.68 -0.20 0.00 0.00 0.00 0.00 51.96 51.07 1smx s ALA 62 Cb 0.00 -2.47 -0.14 0.00 0.00 0.00 0.00 23.12 20.51 1smx s ALA 62 CO 0.00 -0.42 1.36 0.93 0.00 0.00 0.00 175.76 177.62 1smx h GLU 63 N 0.22 0.35 -6.23 0.00 5.08 -2.00 -3.40 114.58 108.60 1smx h GLU 63 Ca -0.47 -0.18 -0.55 0.00 -1.00 0.00 0.00 59.36 57.16 1smx h GLU 63 Cb 1.23 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 30.46 1smx h GLU 63 CO 0.61 0.72 1.02 1.03 -1.00 0.00 0.00 179.01 181.39 1smx s ARG 64 N -4.36 4.20 0.49 2.33 0.52 -1.26 -5.00 118.95 115.88 1smx s ARG 64 Ca -0.14 2.00 -0.24 0.00 -0.52 0.00 0.00 55.73 56.84 1smx s ARG 64 Cb 0.05 -3.89 -0.07 0.00 0.52 0.00 0.00 34.95 31.56 1smx s ARG 64 CO 0.75 -0.79 1.38 -1.01 0.02 0.00 0.00 175.30 175.65 1smx s HIS 65 N 3.79 2.42 0.62 -0.53 3.76 -1.26 -4.80 115.29 119.28 1smx s HIS 65 Ca 0.67 1.33 -0.09 0.00 -0.15 0.00 0.00 55.06 56.82 1smx s HIS 65 Cb -0.29 -3.83 -0.02 0.00 1.11 0.00 0.00 32.58 29.55 1smx s HIS 65 CO 0.24 -2.81 0.99 0.20 -0.85 0.00 0.00 174.74 172.51 1smx s GLY 66 N -0.76 1.61 -0.22 -2.22 0.00 0.13 -4.24 107.32 101.62 1smx s GLY 66 Ca 0.66 -0.33 -0.04 0.00 0.00 0.00 0.00 44.72 45.00 1smx s GLY 66 CO 0.51 -0.05 -0.03 -0.12 0.00 0.00 0.00 173.10 173.41 1smx s PHE 67 N -3.13 2.97 -0.35 1.90 5.36 -0.09 -1.10 117.98 123.54 1smx s PHE 67 Ca 0.54 -0.84 0.03 0.00 -0.96 0.00 0.00 56.93 55.71 1smx s PHE 67 Cb -0.11 -2.11 0.10 0.00 -0.34 0.00 0.00 43.02 40.56 1smx s PHE 67 CO 0.50 -0.50 0.08 -1.17 -1.46 0.00 0.00 175.22 172.68 1smx s LEU 68 N 1.43 4.26 0.65 6.12 2.96 0.02 -0.94 118.68 133.17 1smx s LEU 68 Ca 0.05 -2.16 -0.14 0.00 -0.22 0.00 0.00 54.13 51.67 1smx s LEU 68 Cb -0.14 -1.49 -0.01 0.00 0.50 0.00 0.00 46.19 45.05 1smx s LEU 68 CO -0.02 -0.37 1.06 -2.16 -1.32 0.00 0.00 176.35 173.54 1smx s PRO 69 N 0.90 3.07 0.31 0.98 0.04 -1.26 -0.83 135.00 138.21 1smx s PRO 69 Ca 0.11 1.13 0.02 0.00 0.04 0.00 0.00 61.00 62.31 1smx s PRO 69 Cb -0.19 -2.00 0.59 0.00 0.04 0.00 0.00 34.50 32.93 1smx s PRO 69 CO -0.10 -1.01 1.90 1.25 0.04 0.00 0.00 177.00 179.08 1smx h LEU 70 N -0.10 0.86 -2.75 -3.56 5.85 -1.48 -0.48 115.31 113.65 1smx h LEU 70 Ca -0.46 0.02 0.00 0.00 0.84 0.00 0.00 57.88 58.28 1smx h LEU 70 Cb 1.22 -0.16 -0.00 0.00 0.37 0.00 0.00 40.66 42.09 1smx h LEU 70 CO 0.56 0.52 0.02 0.07 -0.34 0.00 0.00 178.44 179.27 1smx h LYS 71 N 0.96 0.00 -0.66 1.25 2.10 -1.92 -2.04 116.57 116.25 1smx h LYS 71 Ca 0.41 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 59.06 1smx h LYS 71 Cb 0.32 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.65 1smx h LYS 71 CO -0.17 0.00 0.00 0.39 -2.00 0.00 0.00 179.45 177.67 1smx n GLU 72 N -3.40 2.86 -3.57 0.07 -0.58 -0.19 -4.90 120.64 110.94 1smx n GLU 72 Ca -0.03 -2.46 -0.39 0.00 -0.42 0.00 0.00 57.16 53.87 1smx n GLU 72 Cb 0.09 -1.63 -0.11 0.00 -0.57 0.00 0.00 31.44 29.23 1smx n GLU 72 CO 0.00 0.00 0.00 0.42 -0.48 0.00 0.00 177.13 177.07 1smx s ILE 73 N -1.36 5.25 0.61 -3.67 1.01 -0.77 -1.52 121.20 120.75 1smx s ILE 73 Ca 0.45 -0.03 -0.18 0.00 0.00 0.00 0.00 60.65 60.89 1smx s ILE 73 Cb 0.25 -3.60 -0.03 0.00 0.01 0.00 0.00 42.46 39.10 1smx s ILE 73 CO 0.27 0.13 1.19 0.00 0.00 0.00 0.00 174.94 176.54 1smx s ALA 74 N 1.73 2.50 0.20 9.38 0.00 -1.26 -4.92 121.76 129.39 1smx s ALA 74 Ca 0.06 0.94 0.35 0.00 0.00 0.00 0.00 51.96 53.31 1smx s ALA 74 Cb -0.17 -3.44 1.72 0.00 0.00 0.00 0.00 23.12 21.23 1smx s ALA 74 CO 0.10 -1.22 2.05 0.07 0.00 0.00 0.00 175.76 176.77 1smx h ARG 75 N 0.72 0.00 0.00 0.00 0.11 -1.98 -1.49 114.38 111.74 1smx h ARG 75 Ca -0.50 0.00 -0.00 0.00 0.10 0.00 0.00 59.98 59.58 1smx h ARG 75 Cb 1.29 0.00 -0.00 0.00 1.11 0.00 0.00 29.97 32.37 1smx h ARG 75 CO 0.55 0.00 -0.00 0.93 0.10 0.00 0.00 179.97 181.54 1smx h GLU 76 N 0.00 0.00 -0.00 0.08 3.07 -2.03 -0.66 114.58 115.04 1smx h GLU 76 Ca 0.00 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 58.86 1smx h GLU 76 Cb 0.19 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.10 1smx h GLU 76 CO 0.00 0.00 -0.48 0.66 -1.40 0.00 0.00 179.01 177.79 1smx n TYR 77 N -3.58 0.00 -2.27 4.33 4.01 -0.56 -4.97 117.16 114.12 1smx n TYR 77 Ca -0.03 0.00 -0.33 0.00 -0.16 0.00 0.00 57.90 57.38 1smx n TYR 77 Cb 0.08 -0.24 -0.01 0.00 -0.31 0.00 0.00 39.34 38.85 1smx n TYR 77 CO 0.00 0.00 0.00 -0.06 -0.46 0.00 0.00 176.86 176.34 1smx s PHE 78 N -2.97 3.02 0.34 -0.72 0.40 -0.26 -4.79 117.98 113.00 1smx s PHE 78 Ca 0.12 1.53 -0.27 0.00 -0.60 0.00 0.00 56.93 57.71 1smx s PHE 78 Cb 0.18 -3.02 -0.09 0.00 0.51 0.00 0.00 43.02 40.60 1smx s PHE 78 CO 0.69 -0.95 1.10 -1.25 0.70 0.00 0.00 175.22 175.50 1smx s PRO 79 N -3.73 4.40 0.00 0.24 0.04 -1.26 -5.07 135.00 129.62 1smx s PRO 79 Ca 0.65 1.72 0.00 0.00 0.04 0.00 0.00 61.00 63.41 1smx s PRO 79 Cb -0.16 -2.91 0.00 0.00 0.04 0.00 0.00 34.50 31.48 1smx s PRO 79 CO 0.29 0.02 0.00 0.00 0.04 0.00 0.00 177.00 177.35 1smx n ALA 80 N 0.62 0.00 -1.73 8.56 0.00 -1.26 -5.14 120.51 121.56 1smx n ALA 80 Ca 0.02 0.00 -0.18 0.00 0.00 0.00 0.00 53.44 53.28 1smx n ALA 80 Cb 0.46 0.00 -0.07 0.00 0.00 0.00 0.00 19.45 19.85 1smx n ALA 80 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 177.50 178.00 1smx s ARG 87 N 0.00 1.86 0.62 0.00 6.06 -1.26 -5.29 118.95 120.94 1smx s ARG 87 Ca 0.00 0.09 -0.19 0.00 -2.50 0.00 0.00 55.73 53.13 1smx s ARG 87 Cb 0.00 -4.91 -0.02 0.00 0.06 0.00 0.00 34.95 30.08 1smx s ARG 87 CO 0.00 -4.25 1.29 -2.14 -2.50 0.00 0.00 175.30 167.70 1smx s PRO 88 N 8.20 2.75 0.51 5.12 0.02 -1.26 -5.05 135.00 145.29 1smx s PRO 88 Ca 0.84 2.04 0.04 0.00 0.02 0.00 0.00 61.00 63.94 1smx s PRO 88 Cb -0.10 -1.93 0.03 0.00 0.02 0.00 0.00 34.50 32.52 1smx s PRO 88 CO 0.07 -1.44 0.71 -0.80 -0.33 0.00 0.00 177.00 175.21 1smx s ASN 89 N -1.36 5.37 0.34 2.53 0.01 -1.26 -4.99 114.94 115.58 1smx s ASN 89 Ca 0.80 -0.18 0.04 0.00 -0.71 0.00 0.00 52.86 52.80 1smx s ASN 89 Cb -0.36 -0.75 0.65 0.00 0.41 0.00 0.00 41.25 41.20 1smx s ASN 89 CO 0.39 -1.04 1.94 -0.29 -1.51 0.00 0.00 177.10 176.59 1smx h ILE 90 N 0.25 1.03 -0.28 0.60 6.09 -1.93 -1.02 117.51 122.25 1smx h ILE 90 Ca -0.41 -0.30 -0.01 0.00 -1.37 0.00 0.00 64.86 62.77 1smx h ILE 90 Cb 1.29 0.09 -0.01 0.00 0.47 0.00 0.00 36.82 38.66 1smx h ILE 90 CO 0.49 0.16 0.12 0.50 -3.07 0.00 0.00 178.15 176.35 1smx h LYS 91 N 0.87 0.38 0.00 2.19 3.64 -1.95 -1.39 116.57 120.31 1smx h LYS 91 Ca 0.35 -0.04 -0.10 0.00 -1.27 0.00 0.00 60.65 59.59 1smx h LYS 91 Cb 0.25 -0.08 -0.01 0.00 -0.41 0.00 0.00 32.23 31.97 1smx h LYS 91 CO -0.12 0.31 -0.49 -0.44 -2.27 0.00 0.00 179.45 176.43 1smx h ASP 92 N 0.39 0.00 0.00 4.20 3.32 -1.57 -3.38 116.42 119.37 1smx h ASP 92 Ca 0.10 0.00 -0.20 0.00 0.02 0.00 0.00 57.03 56.95 1smx h ASP 92 Cb 0.06 0.00 -0.03 0.00 0.22 0.00 0.00 39.33 39.58 1smx h ASP 92 CO -0.01 0.49 -1.15 0.58 -1.72 0.00 0.00 179.24 177.43 1smx h VAL 93 N 0.00 0.84 -2.15 -1.35 2.07 -1.05 -3.41 116.25 111.20 1smx h VAL 93 Ca -0.00 -2.06 -0.52 0.00 0.82 0.00 0.00 66.70 64.93 1smx h VAL 93 Cb 1.13 2.02 -0.06 0.00 -1.52 0.00 0.00 31.29 32.85 1smx h VAL 93 CO 0.06 0.28 -0.55 -0.76 0.02 0.00 0.00 177.57 176.63 1smx s LEU 94 N -7.92 3.59 0.02 2.57 1.43 -0.66 -4.63 118.68 113.07 1smx s LEU 94 Ca -0.27 -0.42 0.00 0.00 -1.03 0.00 0.00 54.13 52.41 1smx s LEU 94 Cb 0.05 -2.12 -0.02 0.00 0.03 0.00 0.00 46.19 44.14 1smx s LEU 94 CO 0.55 -0.07 -0.03 0.00 0.23 0.00 0.00 176.35 177.04 1smx s ARG 95 N -3.81 0.26 0.41 1.70 1.70 -1.26 -4.70 118.95 113.25 1smx s ARG 95 Ca 0.33 -0.48 -0.26 0.00 -0.47 0.00 0.00 55.73 54.85 1smx s ARG 95 Cb -0.07 0.05 -0.10 0.00 -0.57 0.00 0.00 34.95 34.27 1smx s ARG 95 CO 0.24 -0.03 1.36 0.39 -1.08 0.00 0.00 175.30 176.18 1smx n GLU 96 N 1.92 2.18 0.00 3.89 1.02 -1.26 -2.63 120.64 125.76 1smx n GLU 96 Ca -0.21 0.77 0.00 0.00 -0.02 0.00 0.00 57.16 57.70 1smx n GLU 96 Cb 0.56 -2.50 0.00 0.00 -0.02 0.00 0.00 31.44 29.48 1smx n GLU 96 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1smx n GLY 97 N 0.67 3.25 3.79 0.62 0.00 -0.06 -4.96 105.19 108.50 1smx n GLY 97 Ca 0.05 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.72 1smx n GLY 97 CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 1smx s GLN 98 N -0.55 3.84 -0.02 1.61 -2.07 -1.08 -4.65 119.66 116.74 1smx s GLN 98 Ca 0.00 1.49 -0.02 0.00 -1.82 0.00 0.00 55.36 55.02 1smx s GLN 98 Cb 0.00 -2.25 -0.04 0.00 -1.09 0.00 0.00 33.01 29.63 1smx s GLN 98 CO 0.00 -0.42 0.12 -1.21 -1.32 0.00 0.00 175.29 172.46 1smx s GLU 99 N -2.96 3.22 0.05 9.60 2.02 -1.26 -1.21 118.70 128.17 1smx s GLU 99 Ca 0.65 -0.40 0.04 0.00 0.02 0.00 0.00 54.97 55.28 1smx s GLU 99 Cb -0.21 -2.97 -0.02 0.00 0.10 0.00 0.00 34.13 31.03 1smx s GLU 99 CO 0.25 0.67 -0.11 0.14 0.02 0.00 0.00 175.26 176.23 1smx s VAL 100 N -1.22 0.83 -0.23 2.63 -7.23 0.30 -4.96 120.40 110.52 1smx s VAL 100 Ca 0.23 -1.09 -0.17 0.00 -1.81 0.00 0.00 61.98 59.14 1smx s VAL 100 Cb -0.12 -0.82 -0.03 0.00 0.56 0.00 0.00 36.38 35.97 1smx s VAL 100 CO 0.14 -0.23 0.47 -0.63 -0.31 0.00 0.00 175.10 174.54 1smx s ILE 101 N -1.18 5.13 0.09 -0.62 1.01 -1.26 0.05 121.20 124.43 1smx s ILE 101 Ca -0.05 0.81 0.04 0.00 0.00 0.00 0.00 60.65 61.46 1smx s ILE 101 Cb -0.09 -3.79 -0.03 0.00 0.01 0.00 0.00 42.46 38.56 1smx s ILE 101 CO 0.01 0.17 -0.11 0.68 0.00 0.00 0.00 174.94 175.69 1smx s VAL 102 N 1.81 0.99 0.22 2.92 -7.23 -0.31 -4.29 120.40 114.50 1smx s VAL 102 Ca 0.21 -1.56 0.10 0.00 -1.81 0.00 0.00 61.98 58.92 1smx s VAL 102 Cb -0.15 -1.28 -0.05 0.00 0.56 0.00 0.00 36.38 35.46 1smx s VAL 102 CO 0.09 -0.48 -0.19 0.00 -0.31 0.00 0.00 175.10 174.21 1smx s GLN 103 N -2.53 1.48 -0.20 4.82 -2.07 -0.42 -0.71 119.66 120.04 1smx s GLN 103 Ca 0.04 -1.61 -0.28 0.00 -1.82 0.00 0.00 55.36 51.69 1smx s GLN 103 Cb -0.05 -1.54 0.00 0.00 -1.09 0.00 0.00 33.01 30.33 1smx s GLN 103 CO 0.01 0.30 0.98 0.42 -1.32 0.00 0.00 175.29 175.67 1smx s ILE 104 N -2.36 4.74 -0.10 3.63 1.01 -1.26 -1.60 121.20 125.27 1smx s ILE 104 Ca 0.23 1.92 0.06 0.00 0.00 0.00 0.00 60.65 62.87 1smx s ILE 104 Cb -0.05 -4.26 -0.24 0.00 0.01 0.00 0.00 42.46 37.92 1smx s ILE 104 CO 0.10 -0.11 0.45 0.47 0.00 0.00 0.00 174.94 175.86 1smx n ASP 105 N 5.90 1.25 -3.84 3.58 10.43 0.76 -4.87 116.55 129.76 1smx n ASP 105 Ca 0.10 0.27 -0.19 0.00 2.57 0.00 0.00 54.79 57.54 1smx n ASP 105 Cb 0.47 -0.23 -0.16 0.00 1.84 0.00 0.00 41.12 43.03 1smx n ASP 105 CO 0.00 0.00 0.00 -0.54 -1.07 0.00 0.00 177.20 175.59 1smx s LYS 106 N -2.57 0.53 0.93 -1.24 1.02 -1.04 -4.98 119.74 112.39 1smx s LYS 106 Ca -0.13 0.01 -0.11 0.00 0.02 0.00 0.00 55.97 55.76 1smx s LYS 106 Cb 0.07 -0.67 0.15 0.00 -0.52 0.00 0.00 37.83 36.86 1smx s LYS 106 CO 0.79 -0.13 1.09 -1.21 -0.92 0.00 0.00 175.35 174.97 1smx s GLU 107 N 1.09 0.95 0.21 1.68 0.41 -1.26 -1.25 118.70 120.53 1smx s GLU 107 Ca -0.09 0.97 -0.32 0.00 -0.41 0.00 0.00 54.97 55.13 1smx s GLU 107 Cb -0.14 -1.76 -0.14 0.00 -1.78 0.00 0.00 34.13 30.31 1smx s GLU 107 CO -0.01 -2.50 1.40 0.39 -0.49 0.00 0.00 175.26 174.05 1smx n GLU 108 N -4.08 1.88 -3.63 1.61 1.02 -1.26 -4.61 120.64 111.57 1smx n GLU 108 Ca 0.07 0.67 -0.14 0.00 -0.02 0.00 0.00 57.16 57.74 1smx n GLU 108 Cb 0.54 -2.32 -0.07 0.00 -0.02 0.00 0.00 31.44 29.57 1smx n GLU 108 CO 0.00 0.00 0.00 -0.98 1.18 0.00 0.00 177.13 177.33 1smx s ARG 109 N -0.13 0.83 4.75 3.49 1.70 -1.10 -4.99 118.95 123.51 1smx s ARG 109 Ca 0.72 0.91 0.00 0.00 -0.47 0.00 0.00 55.73 56.89 1smx s ARG 109 Cb -0.70 0.40 0.00 0.00 -0.57 0.00 0.00 34.95 34.08 1smx s ARG 109 CO 0.48 -0.11 0.00 0.41 -1.08 0.00 0.00 175.30 174.99 1smx n GLY 110 N 2.56 3.29 1.30 3.88 0.00 -1.26 -0.75 105.19 114.21 1smx n GLY 110 Ca -0.14 0.05 0.11 0.00 0.00 0.00 0.00 46.02 46.04 1smx n GLY 110 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 1smx n ASN 111 N 4.40 3.88 -4.82 1.61 6.94 -1.26 -5.01 115.26 121.00 1smx n ASN 111 Ca 0.00 -2.00 -0.37 0.00 -0.02 0.00 0.00 54.58 52.18 1smx n ASN 111 Cb 0.00 -0.47 -0.06 0.00 -2.36 0.00 0.00 39.78 36.89 1smx n ASN 111 CO 0.00 0.00 0.00 -0.54 -1.03 0.00 0.00 177.26 175.69 1smx s LYS 112 N -1.00 3.87 1.02 -3.83 1.02 0.07 -5.09 119.74 115.80 1smx s LYS 112 Ca 0.47 0.23 -0.12 0.00 0.02 0.00 0.00 55.97 56.57 1smx s LYS 112 Cb 0.24 -3.25 0.20 0.00 -0.52 0.00 0.00 37.83 34.50 1smx s LYS 112 CO 0.32 0.62 1.07 0.20 -0.92 0.00 0.00 175.35 176.64 1smx s GLY 113 N -0.75 1.58 0.38 -3.33 0.00 -1.26 -2.70 107.32 101.25 1smx s GLY 113 Ca 0.20 -0.11 -0.28 0.00 0.00 0.00 0.00 44.72 44.53 1smx s GLY 113 CO 0.09 0.49 1.47 0.00 0.00 0.00 0.00 173.10 175.15 1smx s ALA 114 N -2.75 3.55 -0.23 3.20 0.00 -1.26 -4.61 121.76 119.66 1smx s ALA 114 Ca 0.66 1.54 -0.27 0.00 0.00 0.00 0.00 51.96 53.88 1smx s ALA 114 Cb -0.21 -3.60 0.00 0.00 0.00 0.00 0.00 23.12 19.32 1smx s ALA 114 CO 0.60 -1.03 0.97 0.00 0.00 0.00 0.00 175.76 176.30 1smx s ALA 115 N -1.13 3.66 0.24 0.00 0.00 -0.38 -0.91 121.76 123.24 1smx s ALA 115 Ca 0.53 0.09 0.07 0.00 0.00 0.00 0.00 51.96 52.64 1smx s ALA 115 Cb -0.46 -3.45 -0.04 0.00 0.00 0.00 0.00 23.12 19.18 1smx s ALA 115 CO 0.62 -0.98 0.18 -0.51 0.00 0.00 0.00 175.76 175.07 1smx s LEU 116 N 3.00 3.77 0.03 0.00 1.43 -0.12 -0.17 118.68 126.62 1smx s LEU 116 Ca 0.41 -0.26 -0.03 0.00 -1.03 0.00 0.00 54.13 53.22 1smx s LEU 116 Cb -0.15 -2.31 -0.02 0.00 0.03 0.00 0.00 46.19 43.73 1smx s LEU 116 CO 0.07 -0.02 0.03 0.28 0.23 0.00 0.00 176.35 176.93 1smx s THR 117 N -2.10 0.14 -2.20 5.49 -1.32 -0.63 -4.55 115.64 110.46 1smx s THR 117 Ca 0.33 -1.12 0.25 0.00 -1.21 0.00 0.00 61.69 59.94 1smx s THR 117 Cb -0.08 -0.72 0.22 0.00 -1.51 0.00 0.00 72.50 70.42 1smx s THR 117 CO 0.24 -0.62 1.40 0.35 -2.21 0.00 0.00 174.62 173.79 1smx n THR 118 N 1.04 0.00 -2.84 5.08 -2.24 -0.58 -1.30 114.28 113.45 1smx n THR 118 Ca -0.20 -0.26 -0.43 0.00 -2.27 0.00 0.00 64.05 60.89 1smx n THR 118 Cb 0.57 0.87 -0.02 0.00 -2.10 0.00 0.00 70.33 69.65 1smx n THR 118 CO 0.00 0.00 0.00 -0.36 -0.57 0.00 0.00 175.07 174.14 1smx s PHE 119 N -2.31 3.00 0.13 4.78 0.08 -1.26 -4.79 117.98 117.61 1smx s PHE 119 Ca 0.26 -1.30 -0.29 0.00 0.12 0.00 0.00 56.93 55.72 1smx s PHE 119 Cb 0.19 -4.39 -0.07 0.00 -0.57 0.00 0.00 43.02 38.19 1smx s PHE 119 CO 0.46 -1.59 0.91 0.42 -0.10 0.00 0.00 175.22 175.32 1smx s ILE 120 N 3.18 4.43 -0.35 0.64 -1.09 -1.26 -4.94 121.20 121.81 1smx s ILE 120 Ca 0.37 1.98 -0.29 0.00 -2.23 0.00 0.00 60.65 60.47 1smx s ILE 120 Cb -0.03 -4.28 0.02 0.00 -1.58 0.00 0.00 42.46 36.59 1smx s ILE 120 CO -0.09 0.38 1.08 -0.44 -1.23 0.00 0.00 174.94 174.64 1smx s SER 121 N -0.36 6.86 -0.15 3.58 0.01 -1.26 -5.02 113.70 117.37 1smx s SER 121 Ca 0.43 0.91 0.00 0.00 1.31 0.00 0.00 55.95 58.61 1smx s SER 121 Cb -0.23 -2.54 0.03 0.00 0.21 0.00 0.00 66.02 63.48 1smx s SER 121 CO 0.29 -0.95 -0.11 -0.76 0.41 0.00 0.00 173.24 172.12 1smx s LEU 122 N 3.78 1.61 0.43 2.44 1.43 -1.26 -5.13 118.68 121.98 1smx s LEU 122 Ca 0.45 -0.50 -0.25 0.00 -1.03 0.00 0.00 54.13 52.80 1smx s LEU 122 Cb -0.11 -1.07 -0.10 0.00 0.03 0.00 0.00 46.19 44.95 1smx s LEU 122 CO 0.19 -0.10 1.19 0.00 0.23 0.00 0.00 176.35 177.85 1smx n ALA 123 N 4.82 0.92 -0.81 4.21 0.00 -1.26 -3.34 120.51 125.05 1smx n ALA 123 Ca -0.15 0.24 0.00 0.00 0.00 0.00 0.00 53.44 53.53 1smx n ALA 123 Cb 0.49 -2.21 0.00 0.00 0.00 0.00 0.00 19.45 17.74 1smx n ALA 123 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1smx n GLY 124 N 0.94 0.91 0.00 0.00 0.00 -1.26 -5.32 105.19 100.46 1smx n GLY 124 Ca 0.08 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.10 1smx n GLY 124 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76