#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1lx5 s ALA 37 N 0.00 1.33 0.16 -1.58 0.00 -1.26 0.24 121.76 120.64 1lx5 s ALA 37 Ca 0.00 0.27 -0.30 0.00 0.00 0.00 0.00 51.96 51.93 1lx5 s ALA 37 Cb 0.00 -3.33 -0.08 0.00 0.00 0.00 0.00 23.12 19.71 1lx5 s ALA 37 CO 0.00 -2.65 1.31 0.00 0.00 0.00 0.00 175.76 174.42 1lx5 s LYS 39 N 0.38 0.98 0.29 0.00 1.02 0.02 -4.91 119.74 117.52 1lx5 s LYS 39 Ca 0.59 -0.66 -0.20 0.00 0.02 0.00 0.00 55.97 55.72 1lx5 s LYS 39 Cb -0.35 0.43 -0.09 0.00 -0.52 0.00 0.00 37.83 37.29 1lx5 s LYS 39 CO 0.35 -0.36 0.80 0.21 -0.92 0.00 0.00 175.35 175.43 1lx5 s LYS 40 N -3.43 4.25 0.10 1.68 2.20 -1.26 -2.26 119.74 121.02 1lx5 s LYS 40 Ca 0.01 0.94 0.03 0.00 -0.36 0.00 0.00 55.97 56.59 1lx5 s LYS 40 Cb 0.02 -2.67 -0.04 0.00 -1.51 0.00 0.00 37.83 33.63 1lx5 s LYS 40 CO -0.09 0.26 -0.09 -1.01 -0.36 0.00 0.00 175.35 174.06 1lx5 s HIS 41 N -1.74 1.01 0.51 4.03 3.76 0.64 -4.96 115.29 118.56 1lx5 s HIS 41 Ca 0.50 -0.76 -0.18 0.00 -0.15 0.00 0.00 55.06 54.46 1lx5 s HIS 41 Cb -0.14 -0.56 -0.07 0.00 1.11 0.00 0.00 32.58 32.91 1lx5 s HIS 41 CO 0.20 -0.04 1.02 -1.21 -0.85 0.00 0.00 174.74 173.85 1lx5 s GLU 42 N -3.30 3.75 -0.30 1.40 2.02 -1.26 -2.19 118.70 118.81 1lx5 s GLU 42 Ca 0.09 1.22 -0.12 0.00 0.02 0.00 0.00 54.97 56.18 1lx5 s GLU 42 Cb 0.01 -2.10 0.16 0.00 0.10 0.00 0.00 34.13 32.30 1lx5 s GLU 42 CO -0.02 -0.45 0.86 -1.17 0.02 0.00 0.00 175.26 174.50 1lx5 s LEU 43 N -3.82 -0.81 -0.27 1.80 0.20 -1.26 -4.78 118.68 109.74 1lx5 s LEU 43 Ca 0.64 0.99 -0.12 0.00 0.69 0.00 0.00 54.13 56.33 1lx5 s LEU 43 Cb -0.14 1.88 -0.05 0.00 -0.43 0.00 0.00 46.19 47.45 1lx5 s LEU 43 CO 0.25 -0.15 0.25 -0.47 -0.29 0.00 0.00 176.35 175.94 1lx5 s TYR 44 N 2.66 3.25 0.25 5.38 5.04 -1.26 -1.46 117.35 131.22 1lx5 s TYR 44 Ca -0.01 0.24 -0.13 0.00 -2.44 0.00 0.00 57.07 54.73 1lx5 s TYR 44 Cb -0.09 -2.43 -0.08 0.00 0.35 0.00 0.00 41.96 39.71 1lx5 s TYR 44 CO -0.18 -0.14 0.63 0.08 -1.34 0.00 0.00 175.55 174.60 1lx5 s VAL 45 N 1.74 4.81 -0.22 3.14 1.01 0.40 -4.85 120.40 126.43 1lx5 s VAL 45 Ca 0.10 0.73 0.02 0.00 0.00 0.00 0.00 61.98 62.83 1lx5 s VAL 45 Cb -0.16 -3.64 0.04 0.00 0.00 0.00 0.00 36.38 32.62 1lx5 s VAL 45 CO 0.10 -0.06 -0.15 -0.55 0.00 0.00 0.00 175.10 174.44 1lx5 s SER 46 N -2.21 3.77 0.46 3.32 0.15 -1.26 0.06 113.70 117.99 1lx5 s SER 46 Ca 0.48 -1.02 0.17 0.00 0.70 0.00 0.00 55.95 56.28 1lx5 s SER 46 Cb -0.12 -1.49 1.13 0.00 -1.71 0.00 0.00 66.02 63.82 1lx5 s SER 46 CO 0.20 -0.10 1.98 -0.26 1.20 0.00 0.00 173.24 176.26 1lx5 h PHE 47 N 7.86 0.32 0.00 3.44 0.04 -1.41 0.44 116.94 127.64 1lx5 h PHE 47 Ca -0.32 0.01 0.00 0.00 2.80 0.00 0.00 57.97 60.46 1lx5 h PHE 47 Cb 1.09 -0.10 0.00 0.00 2.20 0.00 0.00 35.95 39.13 1lx5 h PHE 47 CO 0.55 0.15 0.00 0.54 -0.60 0.00 0.00 178.31 178.95 1lx5 n ARG 48 N -4.45 0.00 -0.38 1.51 1.74 -1.25 -0.39 116.66 113.44 1lx5 n ARG 48 Ca 0.10 0.54 0.30 0.00 -0.77 0.00 0.00 57.85 58.01 1lx5 n ARG 48 Cb 0.43 -1.24 0.59 0.00 -1.02 0.00 0.00 32.46 31.22 1lx5 n ARG 48 CO 0.00 0.00 0.00 -0.44 -1.52 0.00 0.00 177.63 175.67 1lx5 h ASP 49 N 0.00 0.32 0.73 0.55 3.32 -1.57 2.17 116.42 121.94 1lx5 h ASP 49 Ca 0.00 0.10 0.00 0.00 0.02 0.00 0.00 57.03 57.15 1lx5 h ASP 49 Cb 0.00 0.06 0.00 0.00 0.22 0.00 0.00 39.33 39.61 1lx5 h ASP 49 CO 0.00 -0.04 0.00 -0.07 -1.72 0.00 0.00 179.24 177.41 1lx5 h LEU 50 N 0.22 0.00 0.00 1.55 3.38 0.65 -3.45 115.31 117.67 1lx5 h LEU 50 Ca 0.70 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.67 1lx5 h LEU 50 Cb 2.06 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.81 1lx5 h LEU 50 CO -0.33 0.00 0.00 0.61 0.09 0.00 0.00 178.44 178.81 1lx5 n GLY 51 N -0.08 2.77 0.51 0.83 0.00 0.73 -4.95 105.19 105.00 1lx5 n GLY 51 Ca 0.02 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.04 1lx5 n GLY 51 CO 0.00 0.00 0.00 0.79 0.00 0.00 0.00 173.32 174.11 1lx5 n TRP 52 N -1.53 0.11 0.19 1.61 8.01 0.48 -4.40 117.44 121.90 1lx5 n TRP 52 Ca 0.00 -0.04 0.07 0.00 -1.31 0.00 0.00 57.50 56.22 1lx5 n TRP 52 Cb 0.00 -0.11 0.57 0.00 -2.01 0.00 0.00 31.31 29.76 1lx5 n TRP 52 CO 0.00 0.00 0.00 -0.56 -1.01 0.00 0.00 177.69 176.12 1lx5 h GLN 53 N 0.22 0.14 -0.00 -0.99 -0.00 -1.71 -2.24 115.11 110.53 1lx5 h GLN 53 Ca 0.00 -0.01 0.00 0.00 -0.00 0.00 0.00 58.65 58.64 1lx5 h GLN 53 Cb 0.51 -0.03 0.00 0.00 -0.00 0.00 0.00 27.48 27.96 1lx5 h GLN 53 CO 0.02 0.12 -0.01 -0.40 -0.00 0.00 0.00 178.83 178.56 1lx5 n ASP 54 N -4.50 0.04 -0.04 0.06 3.85 -1.26 -3.96 116.55 110.73 1lx5 n ASP 54 Ca -0.01 -0.20 -0.04 0.00 -0.71 0.00 0.00 54.79 53.82 1lx5 n ASP 54 Cb 0.10 -0.26 -0.05 0.00 -1.35 0.00 0.00 41.12 39.56 1lx5 n ASP 54 CO 0.00 0.00 0.00 0.79 -1.01 0.00 0.00 177.20 176.98 1lx5 n TRP 55 N -1.25 0.00 -3.04 2.11 5.03 -0.86 -4.89 117.44 114.54 1lx5 n TRP 55 Ca 0.15 0.00 -0.39 0.00 3.03 0.00 0.00 57.50 60.29 1lx5 n TRP 55 Cb 0.24 -0.33 -0.06 0.00 -1.03 0.00 0.00 31.31 30.13 1lx5 n TRP 55 CO 0.00 0.00 0.00 0.42 -0.03 0.00 0.00 177.69 178.08 1lx5 s ILE 56 N -2.17 4.45 -0.11 -0.99 1.01 -1.14 -1.44 121.20 120.82 1lx5 s ILE 56 Ca -0.07 1.58 0.20 0.00 0.00 0.00 0.00 60.65 62.36 1lx5 s ILE 56 Cb 0.02 -4.07 -0.29 0.00 0.01 0.00 0.00 42.46 38.13 1lx5 s ILE 56 CO 0.24 0.50 0.29 -0.38 0.00 0.00 0.00 174.94 175.60 1lx5 n ILE 57 N 1.54 0.67 -3.61 2.92 5.41 0.68 -4.91 119.36 122.06 1lx5 n ILE 57 Ca -0.06 -0.67 -0.08 0.00 1.00 0.00 0.00 62.75 62.93 1lx5 n ILE 57 Cb 0.49 -0.23 -0.06 0.00 -0.71 0.00 0.00 39.64 39.14 1lx5 n ILE 57 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 1lx5 s ALA 58 N -3.03 -2.00 0.78 -1.39 0.00 -0.84 -4.80 121.76 110.49 1lx5 s ALA 58 Ca -0.09 1.72 -0.05 0.00 0.00 0.00 0.00 51.96 53.54 1lx5 s ALA 58 Cb 0.10 -1.13 0.12 0.00 0.00 0.00 0.00 23.12 22.22 1lx5 s ALA 58 CO 0.87 -0.26 0.79 -0.35 0.00 0.00 0.00 175.76 176.81 1lx5 n PRO 59 N 1.16 -0.30 0.20 0.00 -0.04 -1.26 -0.16 135.00 134.60 1lx5 n PRO 59 Ca -0.09 -1.71 0.12 0.00 -0.04 0.00 0.00 63.50 61.78 1lx5 n PRO 59 Cb 0.57 -0.66 0.18 0.00 -0.04 0.00 0.00 33.50 33.55 1lx5 n PRO 59 CO 0.00 0.00 0.00 0.93 -0.04 0.00 0.00 175.50 176.39 1lx5 h GLU 60 N 0.00 0.00 0.00 0.54 5.08 -1.95 -3.46 114.58 114.78 1lx5 h GLU 60 Ca -0.26 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.10 1lx5 h GLU 60 Cb 0.84 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.09 1lx5 h GLU 60 CO 0.23 0.00 0.00 0.41 -1.00 0.00 0.00 179.01 178.65 1lx5 n GLY 61 N 1.12 0.88 3.23 -3.84 0.00 -1.26 -1.01 105.19 104.31 1lx5 n GLY 61 Ca 0.04 -0.90 -0.09 0.00 0.00 0.00 0.00 46.02 45.07 1lx5 n GLY 61 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 1lx5 s TYR 62 N -2.00 0.36 -0.59 1.61 1.13 0.11 -4.93 117.35 113.03 1lx5 s TYR 62 Ca 0.00 -0.77 -0.28 0.00 -1.41 0.00 0.00 57.07 54.61 1lx5 s TYR 62 Cb 0.00 -0.14 0.03 0.00 -1.10 0.00 0.00 41.96 40.75 1lx5 s TYR 62 CO 0.00 -0.58 1.18 0.00 -2.51 0.00 0.00 175.55 173.64 1lx5 s ALA 63 N -3.92 2.99 -0.27 9.51 0.00 -1.26 -0.45 121.76 128.36 1lx5 s ALA 63 Ca 0.11 -0.89 -0.11 0.00 0.00 0.00 0.00 51.96 51.08 1lx5 s ALA 63 Cb 0.05 -4.03 -0.12 0.00 0.00 0.00 0.00 23.12 19.01 1lx5 s ALA 63 CO -0.06 -2.69 -0.32 0.00 0.00 0.00 0.00 175.76 172.69 1lx5 n ALA 64 N 8.45 1.30 -0.33 0.00 0.00 -0.58 -4.74 120.51 124.62 1lx5 n ALA 64 Ca 0.08 -1.07 0.04 0.00 0.00 0.00 0.00 53.44 52.49 1lx5 n ALA 64 Cb 0.49 0.11 -0.01 0.00 0.00 0.00 0.00 19.45 20.04 1lx5 n ALA 64 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.50 178.16 1lx5 n TYR 65 N -4.02 -0.82 -3.64 0.00 4.01 -0.53 -2.18 117.16 109.98 1lx5 n TYR 65 Ca -0.51 0.41 -0.02 0.00 -0.16 0.00 0.00 57.90 57.61 1lx5 n TYR 65 Cb 0.89 -0.74 -0.03 0.00 -0.31 0.00 0.00 39.34 39.15 1lx5 n TYR 65 CO 0.00 0.00 0.00 1.52 -0.46 0.00 0.00 176.86 177.92 1lx5 s TYR 66 N -1.30 -0.02 0.30 -0.72 1.13 -0.93 -4.74 117.35 111.08 1lx5 s TYR 66 Ca 0.00 0.02 0.04 0.00 -1.41 0.00 0.00 57.07 55.72 1lx5 s TYR 66 Cb 0.00 0.50 -0.03 0.00 -1.10 0.00 0.00 41.96 41.33 1lx5 s TYR 66 CO 0.00 -0.02 0.46 0.00 -2.51 0.00 0.00 175.55 173.48 1lx5 n GLU 68 N -1.61 0.00 0.00 0.00 2.13 -0.96 -4.91 120.64 115.29 1lx5 n GLU 68 Ca -0.05 0.00 0.00 0.00 0.66 0.00 0.00 57.16 57.77 1lx5 n GLU 68 Cb 0.57 0.00 0.00 0.00 0.27 0.00 0.00 31.44 32.28 1lx5 n GLU 68 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 1lx5 n GLY 69 N -0.20 4.25 3.86 8.31 0.00 -1.26 -0.80 105.19 119.34 1lx5 n GLY 69 Ca 0.00 -1.46 -0.31 0.00 0.00 0.00 0.00 46.02 44.25 1lx5 n GLY 69 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1lx5 s GLU 70 N -2.88 3.55 -0.57 1.61 2.12 0.65 -4.26 118.70 118.93 1lx5 s GLU 70 Ca 0.00 0.83 0.06 0.00 0.36 0.00 0.00 54.97 56.22 1lx5 s GLU 70 Cb 0.00 -2.07 0.22 0.00 0.26 0.00 0.00 34.13 32.54 1lx5 s GLU 70 CO 0.00 -0.61 0.60 0.00 -0.54 0.00 0.00 175.26 174.71 1lx5 s ALA 72 N -1.69 3.57 0.01 0.00 0.00 -1.26 -4.69 121.76 117.70 1lx5 s ALA 72 Ca 0.35 -2.00 -0.35 0.00 0.00 0.00 0.00 51.96 49.96 1lx5 s ALA 72 Cb 0.10 -0.24 -0.18 0.00 0.00 0.00 0.00 23.12 22.80 1lx5 s ALA 72 CO -0.09 -0.16 0.93 1.97 0.00 0.00 0.00 175.76 178.41 1lx5 n PHE 73 N -1.21 0.53 -3.31 0.00 -1.74 -1.26 -1.63 117.46 108.84 1lx5 n PHE 73 Ca -0.03 0.93 -0.39 0.00 -0.56 0.00 0.00 57.45 57.40 1lx5 n PHE 73 Cb 0.65 -1.84 -0.08 0.00 1.52 0.00 0.00 39.48 39.73 1lx5 n PHE 73 CO 0.00 0.00 0.00 -1.25 -0.56 0.00 0.00 176.76 174.95 1lx5 s PRO 74 N -0.03 4.11 -0.40 3.97 0.04 -1.26 -5.01 135.00 136.42 1lx5 s PRO 74 Ca 0.80 0.25 -0.29 0.00 0.04 0.00 0.00 61.00 61.80 1lx5 s PRO 74 Cb -1.11 -3.60 0.00 0.00 0.04 0.00 0.00 34.50 29.83 1lx5 s PRO 74 CO 0.50 -0.20 1.50 -1.17 0.04 0.00 0.00 177.00 177.67 1lx5 s LEU 75 N 1.83 3.55 0.00 -3.56 2.96 -0.65 -4.97 118.68 117.85 1lx5 s LEU 75 Ca 0.20 0.90 0.00 0.00 -0.22 0.00 0.00 54.13 55.01 1lx5 s LEU 75 Cb -0.15 -3.51 0.00 0.00 0.50 0.00 0.00 46.19 43.03 1lx5 s LEU 75 CO 0.09 -1.52 0.00 -0.46 -1.32 0.00 0.00 176.35 173.14 1lx5 n ASN 76 N 9.21 0.00 -3.79 3.68 2.04 -1.26 -4.99 115.26 120.14 1lx5 n ASN 76 Ca 0.18 -0.44 -0.29 0.00 -0.44 0.00 0.00 54.58 53.60 1lx5 n ASN 76 Cb 0.48 0.00 0.26 0.00 -2.53 0.00 0.00 39.78 37.99 1lx5 n ASN 76 CO 0.00 0.00 0.00 -1.54 -0.44 0.00 0.00 177.26 175.28 1lx5 n SER 77 N -1.31 -3.13 -2.65 0.53 3.41 -1.26 -3.56 113.62 105.65 1lx5 n SER 77 Ca 0.00 -0.54 -0.18 0.00 -0.26 0.00 0.00 58.87 57.89 1lx5 n SER 77 Cb 0.00 -1.06 0.00 0.00 -0.26 0.00 0.00 64.21 62.89 1lx5 n SER 77 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1lx5 n TYR 78 N -5.34 -1.44 -0.89 7.33 4.19 -1.26 -4.62 117.16 115.14 1lx5 n TYR 78 Ca 0.08 0.15 0.00 0.00 3.31 0.00 0.00 57.90 61.44 1lx5 n TYR 78 Cb 0.56 -3.42 0.00 0.00 0.49 0.00 0.00 39.34 36.97 1lx5 n TYR 78 CO 0.00 0.00 0.00 -1.33 0.91 0.00 0.00 176.86 176.44 1lx5 n MET 79 N -3.20 0.14 -3.75 2.98 0.00 -1.23 -4.97 117.12 107.09 1lx5 n MET 79 Ca -0.15 -0.37 -0.12 0.00 0.00 0.00 0.00 57.70 57.06 1lx5 n MET 79 Cb 0.63 -0.56 0.00 0.00 0.00 0.00 0.00 33.22 33.29 1lx5 n MET 79 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 175.97 176.06 1lx5 n ASN 80 N -0.03 -0.92 -4.90 7.83 3.02 -1.26 0.94 115.26 119.94 1lx5 n ASN 80 Ca 0.00 -0.33 -0.29 0.00 -0.03 0.00 0.00 54.58 53.93 1lx5 n ASN 80 Cb 0.36 -0.40 -0.03 0.00 -0.61 0.00 0.00 39.78 39.11 1lx5 n ASN 80 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1lx5 s ALA 81 N -4.52 3.51 0.27 5.41 0.00 -1.26 -3.07 121.76 122.10 1lx5 s ALA 81 Ca 0.12 -0.46 -0.02 0.00 0.00 0.00 0.00 51.96 51.59 1lx5 s ALA 81 Cb -0.06 -2.45 -0.04 0.00 0.00 0.00 0.00 23.12 20.56 1lx5 s ALA 81 CO 0.25 0.08 0.49 0.95 0.00 0.00 0.00 175.76 177.53 1lx5 s THR 82 N -2.26 5.11 0.25 0.00 -4.23 -1.16 -4.93 115.64 108.42 1lx5 s THR 82 Ca 0.46 -0.19 -0.04 0.00 -1.18 0.00 0.00 61.69 60.74 1lx5 s THR 82 Cb -0.10 -3.75 0.22 0.00 1.34 0.00 0.00 72.50 70.20 1lx5 s THR 82 CO 0.32 -0.31 1.73 0.78 -0.54 0.00 0.00 174.62 176.60 1lx5 h ASN 83 N 1.64 0.27 -0.41 3.99 2.35 -1.99 2.26 115.58 123.70 1lx5 h ASN 83 Ca -0.48 0.11 0.12 0.00 -0.55 0.00 0.00 56.30 55.50 1lx5 h ASN 83 Cb 1.19 0.09 -0.02 0.00 0.05 0.00 0.00 38.32 39.64 1lx5 h ASN 83 CO 0.66 0.10 0.50 -0.74 -1.65 0.00 0.00 177.43 176.30 1lx5 h HIS 84 N 0.44 0.00 0.00 1.19 2.76 -1.97 0.93 115.15 118.49 1lx5 h HIS 84 Ca 0.42 0.00 -0.23 0.00 -2.20 0.00 0.00 60.37 58.36 1lx5 h HIS 84 Cb 0.64 0.00 -0.04 0.00 1.55 0.00 0.00 27.41 29.56 1lx5 h HIS 84 CO -0.17 0.00 -1.22 0.00 -1.30 0.00 0.00 177.93 175.24 1lx5 h ALA 85 N 1.38 0.54 0.15 5.26 0.00 0.34 -2.73 119.26 124.19 1lx5 h ALA 85 Ca 0.19 -1.05 -0.30 0.00 0.00 0.00 0.00 54.91 53.75 1lx5 h ALA 85 Cb 1.20 0.09 0.03 0.00 0.00 0.00 0.00 17.79 19.10 1lx5 h ALA 85 CO -0.00 1.29 -1.25 0.82 0.00 0.00 0.00 179.25 180.11 1lx5 h ILE 86 N 0.00 1.30 0.40 0.00 2.04 0.19 0.13 117.51 121.57 1lx5 h ILE 86 Ca -0.11 -2.50 -0.02 0.00 1.00 0.00 0.00 64.86 63.23 1lx5 h ILE 86 Cb 1.81 2.81 0.00 0.00 -0.74 0.00 0.00 36.82 40.70 1lx5 h ILE 86 CO 0.10 0.75 -0.19 0.58 0.00 0.00 0.00 178.15 179.40 1lx5 h VAL 87 N 0.18 0.61 -0.96 1.67 2.07 -1.24 0.85 116.25 119.44 1lx5 h VAL 87 Ca -0.20 -0.02 0.01 0.00 0.82 0.00 0.00 66.70 67.31 1lx5 h VAL 87 Cb 1.94 0.62 -0.05 0.00 -1.52 0.00 0.00 31.29 32.28 1lx5 h VAL 87 CO 0.24 0.00 0.63 -0.61 0.02 0.00 0.00 177.57 177.86 1lx5 h GLN 88 N -0.55 1.25 -0.40 1.57 4.15 -1.46 0.50 115.11 120.17 1lx5 h GLN 88 Ca -0.05 -0.08 0.07 0.00 0.77 0.00 0.00 58.65 59.36 1lx5 h GLN 88 Cb 0.42 -0.28 -0.09 0.00 0.21 0.00 0.00 27.48 27.74 1lx5 h GLN 88 CO 0.09 0.83 -0.42 1.15 -1.93 0.00 0.00 178.83 178.55 1lx5 h THR 89 N 1.29 0.12 -0.46 2.39 2.02 -0.33 0.09 112.91 118.04 1lx5 h THR 89 Ca 0.35 0.00 -0.09 0.00 0.77 0.00 0.00 66.41 67.44 1lx5 h THR 89 Cb -0.14 0.12 -0.02 0.00 -1.74 0.00 0.00 68.15 66.37 1lx5 h THR 89 CO -0.08 0.00 -0.07 -0.07 0.37 0.00 0.00 175.52 175.67 1lx5 h LEU 90 N -0.32 0.79 -0.12 2.58 -0.00 0.20 -2.07 115.31 116.37 1lx5 h LEU 90 Ca 0.14 -0.22 0.05 0.00 -0.00 0.00 0.00 57.88 57.84 1lx5 h LEU 90 Cb 0.58 -0.21 -0.06 0.00 -0.00 0.00 0.00 40.66 40.97 1lx5 h LEU 90 CO -0.57 0.90 -0.32 0.58 -0.00 0.00 0.00 178.44 179.03 1lx5 h VAL 91 N 0.74 0.29 -1.00 1.22 2.07 0.05 0.16 116.25 119.77 1lx5 h VAL 91 Ca 0.13 0.00 0.12 0.00 0.82 0.00 0.00 66.70 67.77 1lx5 h VAL 91 Cb 0.55 0.29 -0.14 0.00 -1.52 0.00 0.00 31.29 30.47 1lx5 h VAL 91 CO 0.03 0.00 -0.49 1.57 0.02 0.00 0.00 177.57 178.71 1lx5 n HIS 92 N -5.41 -0.20 0.21 1.57 -0.00 -0.00 -1.87 115.22 109.52 1lx5 n HIS 92 Ca -0.03 1.24 0.15 0.00 -0.00 0.00 0.00 57.72 59.08 1lx5 n HIS 92 Cb 0.33 -0.73 0.79 0.00 -0.00 0.00 0.00 29.99 30.38 1lx5 n HIS 92 CO 0.00 0.00 0.00 0.35 -0.00 0.00 0.00 176.34 176.69 1lx5 h PHE 93 N 0.00 0.00 0.00 1.57 3.04 -0.15 1.38 116.94 122.78 1lx5 h PHE 93 Ca 0.26 0.00 0.00 0.00 3.98 0.00 0.00 57.97 62.21 1lx5 h PHE 93 Cb 0.50 0.00 0.00 0.00 2.56 0.00 0.00 35.95 39.01 1lx5 h PHE 93 CO -0.95 0.00 0.00 -0.89 -2.02 0.00 0.00 178.31 174.45 1lx5 n ILE 94 N -4.04 0.00 -3.37 1.41 5.41 -0.73 -4.70 119.36 113.33 1lx5 n ILE 94 Ca 0.01 0.00 -0.45 0.00 1.00 0.00 0.00 62.75 63.31 1lx5 n ILE 94 Cb 0.27 -0.05 -0.01 0.00 -0.71 0.00 0.00 39.64 39.14 1lx5 n ILE 94 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 176.55 176.76 1lx5 s ASN 95 N -1.00 6.99 0.00 4.38 3.84 -0.78 -4.75 114.94 123.62 1lx5 s ASN 95 Ca 0.00 -3.34 0.00 0.00 0.21 0.00 0.00 52.86 49.73 1lx5 s ASN 95 Cb 0.00 -2.17 0.00 0.00 -0.55 0.00 0.00 41.25 38.53 1lx5 s ASN 95 CO 0.00 -0.36 0.68 -0.81 -2.79 0.00 0.00 177.10 173.82 1lx5 n PRO 96 N 3.04 0.00 0.14 0.43 -0.04 0.47 0.33 135.00 139.37 1lx5 n PRO 96 Ca 0.20 0.23 0.12 0.00 -0.04 0.00 0.00 63.50 64.02 1lx5 n PRO 96 Cb 0.41 -1.59 0.23 0.00 -0.04 0.00 0.00 33.50 32.52 1lx5 n PRO 96 CO 0.00 0.00 0.00 0.93 -0.04 0.00 0.00 175.50 176.39 1lx5 h GLU 97 N 0.00 0.00 0.00 0.54 4.39 -1.85 -3.43 114.58 114.23 1lx5 h GLU 97 Ca 0.00 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.70 1lx5 h GLU 97 Cb 0.18 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.83 1lx5 h GLU 97 CO 0.00 0.00 0.00 2.41 -1.16 0.00 0.00 179.01 180.26 1lx5 n THR 98 N -2.59 0.00 -3.66 1.13 -1.04 0.99 -4.96 114.28 104.16 1lx5 n THR 98 Ca 0.04 0.00 -0.32 0.00 -2.04 0.00 0.00 64.05 61.73 1lx5 n THR 98 Cb 0.48 -0.41 -0.05 0.00 -1.82 0.00 0.00 70.33 68.54 1lx5 n THR 98 CO 0.00 0.00 0.00 0.54 -0.64 0.00 0.00 175.07 174.97 1lx5 s VAL 99 N 0.00 5.16 1.04 12.58 0.11 -1.26 -5.10 120.40 132.93 1lx5 s VAL 99 Ca 0.00 0.10 -0.15 0.00 -2.93 0.00 0.00 61.98 59.00 1lx5 s VAL 99 Cb 0.00 -3.62 0.21 0.00 -1.53 0.00 0.00 36.38 31.44 1lx5 s VAL 99 CO 0.00 0.08 1.15 -2.16 -3.33 0.00 0.00 175.10 170.83 1lx5 s PRO 100 N -2.54 0.07 0.52 1.54 0.04 -1.26 -4.48 135.00 128.88 1lx5 s PRO 100 Ca 0.40 0.10 -0.19 0.00 0.04 0.00 0.00 61.00 61.34 1lx5 s PRO 100 Cb -0.12 -1.73 -0.07 0.00 0.04 0.00 0.00 34.50 32.61 1lx5 s PRO 100 CO 0.23 -2.89 1.07 0.15 0.04 0.00 0.00 177.00 175.61 1lx5 s LYS 101 N -5.35 3.60 0.94 4.56 1.02 -1.26 -4.80 119.74 118.45 1lx5 s LYS 101 Ca 0.68 1.42 -0.11 0.00 0.02 0.00 0.00 55.97 57.99 1lx5 s LYS 101 Cb -0.12 -2.06 0.12 0.00 -0.52 0.00 0.00 37.83 35.25 1lx5 s LYS 101 CO 0.55 -0.61 0.93 -2.30 -0.92 0.00 0.00 175.35 173.01 1lx5 n PRO 102 N -1.19 -0.51 -4.44 -1.68 -0.02 -1.26 -5.01 135.00 120.89 1lx5 n PRO 102 Ca 0.10 -0.09 -0.32 0.00 -2.02 0.00 0.00 63.50 61.17 1lx5 n PRO 102 Cb 0.52 -2.23 -0.10 0.00 -0.02 0.00 0.00 33.50 31.67 1lx5 n PRO 102 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1lx5 s ALA 105 N 1.50 -1.92 0.63 0.00 0.00 -0.95 -4.51 121.76 116.51 1lx5 s ALA 105 Ca 0.55 1.33 -0.19 0.00 0.00 0.00 0.00 51.96 53.66 1lx5 s ALA 105 Cb -0.25 -0.07 -0.02 0.00 0.00 0.00 0.00 23.12 22.79 1lx5 s ALA 105 CO 0.26 -0.55 1.30 -2.14 0.00 0.00 0.00 175.76 174.63 1lx5 s PRO 106 N -2.36 2.67 0.00 0.00 0.02 -1.26 -1.65 135.00 132.42 1lx5 s PRO 106 Ca 0.04 2.09 0.00 0.00 0.02 0.00 0.00 61.00 63.15 1lx5 s PRO 106 Cb -0.01 -1.92 0.00 0.00 0.02 0.00 0.00 34.50 32.60 1lx5 s PRO 106 CO -0.05 -1.52 0.26 0.25 -0.33 0.00 0.00 177.00 175.61 1lx5 n THR 107 N -1.75 0.00 -3.53 0.99 -2.24 -0.20 -4.78 114.28 102.77 1lx5 n THR 107 Ca 0.15 -0.31 0.00 0.00 -2.27 0.00 0.00 64.05 61.62 1lx5 n THR 107 Cb 0.48 1.32 -0.03 0.00 -2.10 0.00 0.00 70.33 69.99 1lx5 n THR 107 CO 0.00 0.00 0.00 -1.58 -0.57 0.00 0.00 175.07 172.92 1lx5 s GLN 108 N -0.10 0.55 0.04 -0.78 0.74 -1.06 -4.94 119.66 114.12 1lx5 s GLN 108 Ca 0.00 1.31 0.05 0.00 0.05 0.00 0.00 55.36 56.77 1lx5 s GLN 108 Cb 0.00 0.78 -0.02 0.00 1.10 0.00 0.00 33.01 34.87 1lx5 s GLN 108 CO 0.00 -0.28 -0.16 -0.51 -0.55 0.00 0.00 175.29 173.80 1lx5 s LEU 109 N 2.86 2.16 0.22 3.68 1.43 -1.25 0.33 118.68 128.11 1lx5 s LEU 109 Ca -0.00 -0.45 0.08 0.00 -1.03 0.00 0.00 54.13 52.72 1lx5 s LEU 109 Cb -0.12 -0.70 -0.04 0.00 0.03 0.00 0.00 46.19 45.36 1lx5 s LEU 109 CO -0.19 0.07 0.05 0.20 0.23 0.00 0.00 176.35 176.71 1lx5 s ASN 110 N -1.08 4.92 0.44 2.29 -0.87 0.24 -4.64 114.94 116.25 1lx5 s ASN 110 Ca 0.03 -0.42 -0.03 0.00 -1.57 0.00 0.00 52.86 50.87 1lx5 s ASN 110 Cb -0.08 -1.08 -0.03 0.00 -0.02 0.00 0.00 41.25 40.04 1lx5 s ASN 110 CO 0.01 0.03 0.71 0.00 -2.57 0.00 0.00 177.10 175.28 1lx5 s ALA 111 N -2.01 3.51 0.40 0.60 0.00 -1.26 -0.18 121.76 122.82 1lx5 s ALA 111 Ca 0.30 -0.66 0.04 0.00 0.00 0.00 0.00 51.96 51.63 1lx5 s ALA 111 Cb -0.08 -2.42 -0.04 0.00 0.00 0.00 0.00 23.12 20.58 1lx5 s ALA 111 CO 0.21 -0.26 0.07 0.96 0.00 0.00 0.00 175.76 176.73 1lx5 s ILE 112 N -2.61 1.07 0.10 0.00 -4.36 -0.72 -4.84 121.20 109.84 1lx5 s ILE 112 Ca 0.45 -2.00 0.02 0.00 -0.26 0.00 0.00 60.65 58.86 1lx5 s ILE 112 Cb -0.10 -2.55 -0.04 0.00 1.25 0.00 0.00 42.46 41.02 1lx5 s ILE 112 CO 0.42 0.00 0.18 -0.44 0.24 0.00 0.00 174.94 175.33 1lx5 s SER 113 N -3.62 6.01 0.10 4.36 0.01 -1.26 -0.61 113.70 118.68 1lx5 s SER 113 Ca 0.26 0.12 -0.01 0.00 1.31 0.00 0.00 55.95 57.63 1lx5 s SER 113 Cb 0.05 -1.75 -0.04 0.00 0.21 0.00 0.00 66.02 64.50 1lx5 s SER 113 CO 0.13 0.14 0.03 0.68 0.41 0.00 0.00 173.24 174.63 1lx5 s VAL 114 N -1.55 0.14 -0.16 3.43 -7.23 -0.51 -4.40 120.40 110.13 1lx5 s VAL 114 Ca 0.33 -1.88 -0.00 0.00 -1.81 0.00 0.00 61.98 58.62 1lx5 s VAL 114 Cb -0.12 -1.87 0.04 0.00 0.56 0.00 0.00 36.38 34.99 1lx5 s VAL 114 CO 0.26 -0.64 -0.08 -0.22 -0.31 0.00 0.00 175.10 174.11 1lx5 s LEU 115 N -3.01 1.65 0.26 1.32 2.96 0.77 -1.24 118.68 121.40 1lx5 s LEU 115 Ca 0.18 -0.60 0.02 0.00 -0.22 0.00 0.00 54.13 53.51 1lx5 s LEU 115 Cb 0.08 -0.99 -0.04 0.00 0.50 0.00 0.00 46.19 45.74 1lx5 s LEU 115 CO -0.02 -0.15 0.17 -0.72 -1.32 0.00 0.00 176.35 174.32 1lx5 s TYR 116 N 1.59 1.45 0.19 5.38 1.13 0.13 0.25 117.35 127.46 1lx5 s TYR 116 Ca 0.02 -1.44 -0.03 0.00 -1.41 0.00 0.00 57.07 54.21 1lx5 s TYR 116 Cb -0.14 -0.70 -0.05 0.00 -1.10 0.00 0.00 41.96 39.97 1lx5 s TYR 116 CO -0.08 -0.65 0.41 -0.06 -2.51 0.00 0.00 175.55 172.65 1lx5 s PHE 117 N -3.81 3.48 0.34 -3.49 0.08 -0.52 -0.07 117.98 113.99 1lx5 s PHE 117 Ca 0.39 0.48 0.07 0.00 0.12 0.00 0.00 56.93 57.99 1lx5 s PHE 117 Cb 0.05 -1.96 -0.02 0.00 -0.57 0.00 0.00 43.02 40.53 1lx5 s PHE 117 CO 0.18 0.37 0.38 0.16 -0.10 0.00 0.00 175.22 176.20 1lx5 s ASP 118 N -2.84 5.57 0.26 1.36 -4.77 -0.47 -4.88 116.67 110.90 1lx5 s ASP 118 Ca 0.40 -0.38 0.02 0.00 -3.30 0.00 0.00 52.55 49.30 1lx5 s ASP 118 Cb -0.11 -1.05 0.65 0.00 -1.09 0.00 0.00 42.92 41.31 1lx5 s ASP 118 CO 0.27 -0.41 1.29 0.47 0.70 0.00 0.00 175.17 177.49 1lx5 n ASP 119 N -1.51 -0.08 -0.25 2.11 8.00 -1.26 0.26 116.55 123.82 1lx5 n ASP 119 Ca -0.01 1.40 0.06 0.00 0.71 0.00 0.00 54.79 56.95 1lx5 n ASP 119 Cb 0.59 -0.51 0.25 0.00 -0.02 0.00 0.00 41.12 41.43 1lx5 n ASP 119 CO 0.00 0.00 0.00 -1.20 -0.39 0.00 0.00 177.20 175.61 1lx5 n SER 120 N -5.16 0.74 -1.22 -2.24 7.64 -1.26 -4.87 113.62 107.24 1lx5 n SER 120 Ca 0.20 -1.79 -0.13 0.00 1.01 0.00 0.00 58.87 58.15 1lx5 n SER 120 Cb 0.65 -0.07 -0.04 0.00 -1.01 0.00 0.00 64.21 63.74 1lx5 n SER 120 CO 0.00 0.00 0.00 -0.24 -3.01 0.00 0.00 175.04 171.79 1lx5 n SER 121 N -0.19 -4.42 -4.82 6.43 2.88 0.74 -4.96 113.62 109.29 1lx5 n SER 121 Ca 0.09 0.19 -0.33 0.00 -1.33 0.00 0.00 58.87 57.49 1lx5 n SER 121 Cb 0.15 -3.30 -0.07 0.00 -0.75 0.00 0.00 64.21 60.24 1lx5 n SER 121 CO 0.00 0.00 0.00 0.20 -1.23 0.00 0.00 175.04 174.01 1lx5 s ASN 122 N -2.67 6.93 0.11 -3.46 0.01 -1.25 -4.73 114.94 109.87 1lx5 s ASN 122 Ca 0.00 1.70 -0.28 0.00 -0.71 0.00 0.00 52.86 53.57 1lx5 s ASN 122 Cb 0.00 -2.54 -0.06 0.00 0.41 0.00 0.00 41.25 39.06 1lx5 s ASN 122 CO 0.00 -0.36 0.87 -0.69 -1.51 0.00 0.00 177.10 175.41 1lx5 s VAL 123 N -2.17 4.51 0.00 1.60 1.01 -1.26 -1.37 120.40 122.73 1lx5 s VAL 123 Ca 0.62 1.89 0.01 0.00 0.00 0.00 0.00 61.98 64.50 1lx5 s VAL 123 Cb -0.09 -4.24 -0.01 0.00 0.00 0.00 0.00 36.38 32.05 1lx5 s VAL 123 CO 0.13 0.38 -0.03 -0.51 0.00 0.00 0.00 175.10 175.07 1lx5 s ILE 124 N -0.29 0.23 -0.06 2.22 2.07 0.90 -4.95 121.20 121.31 1lx5 s ILE 124 Ca 0.42 -0.29 0.06 0.00 -1.41 0.00 0.00 60.65 59.43 1lx5 s ILE 124 Cb -0.23 -0.23 -0.01 0.00 0.13 0.00 0.00 42.46 42.12 1lx5 s ILE 124 CO 0.27 -0.05 -0.25 -0.22 -1.91 0.00 0.00 174.94 172.79 1lx5 s LEU 125 N -0.36 2.06 -0.08 8.50 2.96 -1.26 0.23 118.68 130.73 1lx5 s LEU 125 Ca -0.02 -0.51 -0.22 0.00 -0.22 0.00 0.00 54.13 53.16 1lx5 s LEU 125 Cb -0.03 -1.36 0.05 0.00 0.50 0.00 0.00 46.19 45.35 1lx5 s LEU 125 CO -0.00 0.23 0.50 -0.75 -1.32 0.00 0.00 176.35 175.01 1lx5 s LYS 126 N -0.07 0.79 -0.12 1.98 2.20 -0.37 -4.99 119.74 119.15 1lx5 s LYS 126 Ca -0.06 0.23 -0.05 0.00 -0.36 0.00 0.00 55.97 55.73 1lx5 s LYS 126 Cb -0.14 0.37 -0.04 0.00 -1.51 0.00 0.00 37.83 36.51 1lx5 s LYS 126 CO 0.04 -0.20 0.05 -1.59 -0.36 0.00 0.00 175.35 173.29 1lx5 s LYS 127 N -0.83 3.40 -0.25 4.03 -2.85 -1.26 -1.42 119.74 120.56 1lx5 s LYS 127 Ca -0.09 -0.33 -0.10 0.00 -1.00 0.00 0.00 55.97 54.45 1lx5 s LYS 127 Cb -0.03 -3.01 -0.04 0.00 -2.06 0.00 0.00 37.83 32.69 1lx5 s LYS 127 CO 0.05 0.58 0.14 0.71 0.10 0.00 0.00 175.35 176.93 1lx5 s TYR 128 N -0.50 3.22 0.58 1.78 4.12 0.22 -4.91 117.35 121.85 1lx5 s TYR 128 Ca 0.10 0.03 -0.18 0.00 0.02 0.00 0.00 57.07 57.03 1lx5 s TYR 128 Cb -0.12 -2.28 -0.04 0.00 -1.52 0.00 0.00 41.96 38.00 1lx5 s TYR 128 CO 0.02 -0.10 1.14 0.50 0.02 0.00 0.00 175.55 177.13 1lx5 s ARG 129 N 1.37 3.17 -1.17 -0.62 3.52 -1.26 -1.75 118.95 122.21 1lx5 s ARG 129 Ca 0.07 1.61 -0.26 0.00 -0.13 0.00 0.00 55.73 57.01 1lx5 s ARG 129 Cb -0.15 -1.98 0.01 0.00 -1.56 0.00 0.00 34.95 31.28 1lx5 s ARG 129 CO 0.06 -1.00 0.74 0.09 -0.81 0.00 0.00 175.30 174.39 1lx5 n ASN 130 N -1.57 -4.77 -0.00 -2.12 3.02 -1.24 -4.85 115.26 103.72 1lx5 n ASN 130 Ca 0.12 -1.13 0.03 0.00 -0.03 0.00 0.00 54.58 53.56 1lx5 n ASN 130 Cb 0.51 -2.69 -0.04 0.00 -0.61 0.00 0.00 39.78 36.95 1lx5 n ASN 130 CO 0.00 0.00 0.00 0.23 -2.62 0.00 0.00 177.26 174.87 1lx5 n MET 131 N -4.54 2.98 -5.03 3.52 2.81 0.37 -4.89 117.12 112.34 1lx5 n MET 131 Ca -0.10 -0.02 -0.28 0.00 -1.81 0.00 0.00 57.70 55.49 1lx5 n MET 131 Cb 0.58 -0.92 -0.16 0.00 -0.71 0.00 0.00 33.22 32.01 1lx5 n MET 131 CO 0.00 0.00 0.00 0.08 1.51 0.00 0.00 175.97 177.56 1lx5 s VAL 132 N -1.89 1.67 -0.25 2.03 1.01 0.74 -4.73 120.40 118.97 1lx5 s VAL 132 Ca 0.00 -0.89 -0.19 0.00 0.00 0.00 0.00 61.98 60.90 1lx5 s VAL 132 Cb 0.04 -1.39 -0.02 0.00 0.00 0.00 0.00 36.38 35.00 1lx5 s VAL 132 CO 0.22 0.47 0.58 -0.69 0.00 0.00 0.00 175.10 175.68 1lx5 s VAL 133 N -0.40 5.03 -0.13 2.92 1.01 -0.92 0.80 120.40 128.71 1lx5 s VAL 133 Ca 0.06 1.02 -0.02 0.00 0.00 0.00 0.00 61.98 63.03 1lx5 s VAL 133 Cb -0.09 -3.89 -0.25 0.00 0.00 0.00 0.00 36.38 32.16 1lx5 s VAL 133 CO -0.00 0.06 0.33 -1.14 0.00 0.00 0.00 175.10 174.35 1lx5 n ARG 134 N 5.57 0.73 -3.63 2.72 0.63 1.00 -4.90 116.66 118.79 1lx5 n ARG 134 Ca -0.02 0.25 -0.15 0.00 -0.92 0.00 0.00 57.85 57.01 1lx5 n ARG 134 Cb 0.49 -1.69 -0.07 0.00 0.45 0.00 0.00 32.46 31.64 1lx5 n ARG 134 CO 0.00 0.00 0.00 0.00 -2.51 0.00 0.00 177.63 175.12 1lx5 s ALA 135 N -2.56 -1.24 0.46 5.13 0.00 -0.74 -4.99 121.76 117.83 1lx5 s ALA 135 Ca -0.21 0.67 0.07 0.00 0.00 0.00 0.00 51.96 52.49 1lx5 s ALA 135 Cb 0.07 0.19 -0.00 0.00 0.00 0.00 0.00 23.12 23.38 1lx5 s ALA 135 CO 0.76 -0.39 0.40 0.00 0.00 0.00 0.00 175.76 176.53 1lx5 n GLY 137 N -1.63 0.30 3.75 0.00 0.00 -0.66 -4.57 105.19 102.39 1lx5 n GLY 137 Ca 0.03 -0.97 -0.37 0.00 0.00 0.00 0.00 46.02 44.71 1lx5 n GLY 137 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32