#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3lb5 n ALA 4 N 0.00 0.23 -1.80 1.69 0.00 -1.26 -5.12 120.51 114.25 3lb5 n ALA 4 Ca 0.00 -1.03 -0.41 0.00 0.00 0.00 0.00 53.44 52.00 3lb5 n ALA 4 Cb 0.00 0.62 -0.02 0.00 0.00 0.00 0.00 19.45 20.05 3lb5 n ALA 4 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 177.50 177.03 3lb5 s TYR 5 N -2.05 2.99 -0.27 0.00 5.04 -1.26 -5.01 117.35 116.79 3lb5 s TYR 5 Ca 0.05 1.30 -0.03 0.00 -2.44 0.00 0.00 57.07 55.94 3lb5 s TYR 5 Cb 0.00 -3.75 0.03 0.00 0.35 0.00 0.00 41.96 38.59 3lb5 s TYR 5 CO 0.03 -2.17 -0.02 0.34 -1.34 0.00 0.00 175.55 172.39 3lb5 s ASP 6 N -0.24 4.58 0.00 4.32 2.15 -1.26 -4.97 116.67 121.25 3lb5 s ASP 6 Ca 0.52 -0.90 0.00 0.00 0.43 0.00 0.00 52.55 52.59 3lb5 s ASP 6 Cb -0.41 -1.72 0.00 0.00 -0.30 0.00 0.00 42.92 40.49 3lb5 s ASP 6 CO 0.52 -0.16 0.88 0.59 -0.17 0.00 0.00 175.17 176.83 3lb5 n ASN 7 N 4.70 0.00 -0.58 -0.34 3.02 -1.26 -1.88 115.26 118.92 3lb5 n ASN 7 Ca -0.15 0.39 0.07 0.00 -0.03 0.00 0.00 54.58 54.85 3lb5 n ASN 7 Cb 0.47 -0.39 0.08 0.00 -0.61 0.00 0.00 39.78 39.33 3lb5 n ASN 7 CO 0.00 0.00 0.00 0.59 -2.62 0.00 0.00 177.26 175.23 3lb5 n ASN 8 N -1.38 2.31 -4.69 6.41 3.02 -1.26 -4.54 115.26 115.12 3lb5 n ASN 8 Ca 0.00 -1.64 -0.34 0.00 -0.03 0.00 0.00 54.58 52.57 3lb5 n ASN 8 Cb 0.01 -0.05 0.13 0.00 -0.61 0.00 0.00 39.78 39.26 3lb5 n ASN 8 CO 0.00 0.00 0.00 -0.46 -2.62 0.00 0.00 177.26 174.18 3lb5 n ASN 9 N 0.75 1.10 -0.17 6.41 0.23 -0.79 -4.72 115.26 118.06 3lb5 n ASN 9 Ca 0.09 0.60 0.09 0.00 -0.53 0.00 0.00 54.58 54.83 3lb5 n ASN 9 Cb 0.36 -1.51 0.39 0.00 -2.08 0.00 0.00 39.78 36.94 3lb5 n ASN 9 CO 0.00 0.00 0.00 -0.29 -0.93 0.00 0.00 177.26 176.04 3lb5 h ILE 10 N -0.82 0.96 0.02 1.53 2.10 -1.95 -1.20 117.51 118.15 3lb5 h ILE 10 Ca -0.47 -0.23 -0.22 0.00 1.08 0.00 0.00 64.86 65.03 3lb5 h ILE 10 Cb 1.30 0.24 -0.00 0.00 -1.09 0.00 0.00 36.82 37.27 3lb5 h ILE 10 CO 0.46 0.12 -0.95 -0.26 -1.08 0.00 0.00 178.15 176.44 3lb5 h PHE 11 N 0.66 0.48 -0.89 2.19 0.04 -1.97 0.12 116.94 117.56 3lb5 h PHE 11 Ca 0.33 -0.27 0.04 0.00 2.80 0.00 0.00 57.97 60.87 3lb5 h PHE 11 Cb 0.42 -0.05 -0.06 0.00 2.20 0.00 0.00 35.95 38.46 3lb5 h PHE 11 CO -0.00 1.10 0.57 0.00 -0.60 0.00 0.00 178.31 179.38 3lb5 h ALA 12 N 0.81 1.19 -0.46 2.45 0.00 -1.64 -0.50 119.26 121.10 3lb5 h ALA 12 Ca -0.07 -0.03 -0.13 0.00 0.00 0.00 0.00 54.91 54.68 3lb5 h ALA 12 Cb 1.60 -0.29 -0.01 0.00 0.00 0.00 0.00 17.79 19.08 3lb5 h ALA 12 CO 0.16 0.40 -0.22 0.87 0.00 0.00 0.00 179.25 180.46 3lb5 h LYS 13 N 1.09 0.95 -0.15 0.00 1.57 -1.01 -2.66 116.57 116.36 3lb5 h LYS 13 Ca 0.36 -0.40 0.02 0.00 -1.87 0.00 0.00 60.65 58.77 3lb5 h LYS 13 Cb 0.05 -0.03 -0.02 0.00 0.08 0.00 0.00 32.23 32.30 3lb5 h LYS 13 CO -0.13 1.06 0.00 1.25 -0.57 0.00 0.00 179.45 181.06 3lb5 h LEU 14 N 0.82 -0.05 -0.92 2.94 6.46 -0.52 0.27 115.31 124.30 3lb5 h LEU 14 Ca 0.11 0.03 0.19 0.00 -0.12 0.00 0.00 57.88 58.09 3lb5 h LEU 14 Cb 0.78 0.05 -0.11 0.00 -0.73 0.00 0.00 40.66 40.66 3lb5 h LEU 14 CO 0.06 -0.00 0.49 0.40 -0.62 0.00 0.00 178.44 178.77 3lb5 h ILE 15 N 0.05 0.64 -0.27 4.05 2.04 -0.99 0.41 117.51 123.45 3lb5 h ILE 15 Ca 0.07 -0.21 0.00 0.00 1.00 0.00 0.00 64.86 65.72 3lb5 h ILE 15 Cb 0.08 -0.02 0.00 0.00 -0.74 0.00 0.00 36.82 36.14 3lb5 h ILE 15 CO -0.11 0.11 0.00 0.54 0.00 0.00 0.00 178.15 178.69 3lb5 n ARG 16 N -4.89 1.93 -2.83 2.37 1.74 -0.90 -4.91 116.66 109.17 3lb5 n ARG 16 Ca 0.21 -1.10 -0.21 0.00 -0.77 0.00 0.00 57.85 55.99 3lb5 n ARG 16 Cb 0.56 -1.40 0.01 0.00 -1.02 0.00 0.00 32.46 30.62 3lb5 n ARG 16 CO 0.00 0.00 0.00 0.09 -1.52 0.00 0.00 177.63 176.20 3lb5 n ASN 17 N 0.32 -5.34 -0.10 0.55 3.02 0.13 -4.87 115.26 108.96 3lb5 n ASN 17 Ca 0.10 -0.16 0.12 0.00 -0.03 0.00 0.00 54.58 54.61 3lb5 n ASN 17 Cb 0.36 -4.39 0.18 0.00 -0.61 0.00 0.00 39.78 35.32 3lb5 n ASN 17 CO 0.00 0.00 0.00 -0.62 -2.62 0.00 0.00 177.26 174.02 3lb5 n GLU 18 N -3.54 0.31 -4.10 3.52 1.02 0.03 -4.84 120.64 113.04 3lb5 n GLU 18 Ca -0.14 -0.21 -0.10 0.00 -0.02 0.00 0.00 57.16 56.69 3lb5 n GLU 18 Cb 0.62 -1.50 -0.10 0.00 -0.02 0.00 0.00 31.44 30.44 3lb5 n GLU 18 CO 0.00 0.00 0.00 0.96 1.18 0.00 0.00 177.13 179.27 3lb5 s ILE 19 N -2.83 0.48 0.61 -3.67 -4.36 -1.25 -4.97 121.20 105.21 3lb5 s ILE 19 Ca 0.14 -1.58 -0.15 0.00 -0.26 0.00 0.00 60.65 58.80 3lb5 s ILE 19 Cb 0.18 -1.22 -0.03 0.00 1.25 0.00 0.00 42.46 42.64 3lb5 s ILE 19 CO 0.68 -0.74 1.07 -2.16 0.24 0.00 0.00 174.94 174.03 3lb5 s PRO 20 N -3.03 3.20 0.04 0.37 0.04 -1.26 -4.75 135.00 129.61 3lb5 s PRO 20 Ca 0.02 1.22 -0.13 0.00 0.04 0.00 0.00 61.00 62.15 3lb5 s PRO 20 Cb 0.00 -2.02 0.02 0.00 0.04 0.00 0.00 34.50 32.54 3lb5 s PRO 20 CO -0.04 -0.91 0.28 -1.54 0.04 0.00 0.00 177.00 174.83 3lb5 s SER 21 N -2.83 -0.09 -0.37 6.66 1.04 -1.26 -5.01 113.70 111.84 3lb5 s SER 21 Ca 0.64 -0.21 -0.06 0.00 0.48 0.00 0.00 55.95 56.79 3lb5 s SER 21 Cb -0.17 0.34 0.07 0.00 0.10 0.00 0.00 66.02 66.36 3lb5 s SER 21 CO 0.39 -0.59 0.16 -0.69 0.98 0.00 0.00 173.24 173.49 3lb5 s VAL 22 N -2.45 3.69 -0.11 5.02 1.01 -1.26 -5.05 120.40 121.25 3lb5 s VAL 22 Ca -0.06 -1.44 -0.04 0.00 0.00 0.00 0.00 61.98 60.44 3lb5 s VAL 22 Cb -0.01 -3.24 -0.04 0.00 0.00 0.00 0.00 36.38 33.09 3lb5 s VAL 22 CO -0.03 -0.37 0.07 -0.13 0.00 0.00 0.00 175.10 174.63 3lb5 s ARG 23 N 1.33 3.25 -0.13 2.72 0.52 -1.26 -0.46 118.95 124.91 3lb5 s ARG 23 Ca 0.01 -0.28 -0.22 0.00 -0.52 0.00 0.00 55.73 54.72 3lb5 s ARG 23 Cb -0.21 -2.99 -0.20 0.00 0.52 0.00 0.00 34.95 32.06 3lb5 s ARG 23 CO 0.01 0.71 0.58 0.28 0.02 0.00 0.00 175.30 176.89 3lb5 h VAL 24 N 4.13 1.37 -2.72 3.52 2.07 -0.92 -3.48 116.25 120.22 3lb5 h VAL 24 Ca -0.52 -2.04 0.10 0.00 0.82 0.00 0.00 66.70 65.06 3lb5 h VAL 24 Cb 1.21 2.60 -0.05 0.00 -1.52 0.00 0.00 31.29 33.52 3lb5 h VAL 24 CO 0.57 0.46 0.36 -0.72 0.02 0.00 0.00 177.57 178.26 3lb5 s TYR 25 N -2.08 -0.10 0.13 1.57 -0.85 -1.21 -4.74 117.35 110.06 3lb5 s TYR 25 Ca -0.15 -0.34 -0.17 0.00 -0.52 0.00 0.00 57.07 55.89 3lb5 s TYR 25 Cb -0.02 0.71 0.04 0.00 0.38 0.00 0.00 41.96 43.06 3lb5 s TYR 25 CO 0.54 -1.12 0.42 -1.83 -1.52 0.00 0.00 175.55 172.04 3lb5 s GLU 26 N -3.28 1.09 0.00 -3.49 -1.05 -1.26 -1.48 118.70 109.23 3lb5 s GLU 26 Ca 0.13 -0.67 0.00 0.00 -0.15 0.00 0.00 54.97 54.28 3lb5 s GLU 26 Cb -0.04 0.48 0.00 0.00 -0.44 0.00 0.00 34.13 34.13 3lb5 s GLU 26 CO 0.06 -0.43 0.00 -0.40 0.95 0.00 0.00 175.26 175.44 3lb5 n ASP 27 N -0.22 0.00 0.28 0.83 5.68 -0.72 -4.99 116.55 117.41 3lb5 n ASP 27 Ca -0.16 -0.34 0.19 0.00 -0.50 0.00 0.00 54.79 53.98 3lb5 n ASP 27 Cb 0.64 0.00 0.89 0.00 -1.14 0.00 0.00 41.12 41.51 3lb5 n ASP 27 CO 0.00 0.00 0.00 0.44 -1.33 0.00 0.00 177.20 176.31 3lb5 h ASP 28 N 0.00 0.00 0.00 -1.12 5.19 -2.04 -3.21 116.42 115.24 3lb5 h ASP 28 Ca 0.00 0.00 -0.38 0.00 -0.62 0.00 0.00 57.03 56.03 3lb5 h ASP 28 Cb 0.00 0.00 -0.07 0.00 0.18 0.00 0.00 39.33 39.44 3lb5 h ASP 28 CO 0.00 0.00 -2.43 0.47 -3.12 0.00 0.00 179.24 174.16 3lb5 n ASP 29 N -2.94 1.27 -4.15 6.45 8.00 -1.26 -4.79 116.55 119.14 3lb5 n ASP 29 Ca -0.01 -0.09 -0.10 0.00 0.71 0.00 0.00 54.79 55.30 3lb5 n ASP 29 Cb 0.17 0.11 -0.10 0.00 -0.02 0.00 0.00 41.12 41.29 3lb5 n ASP 29 CO 0.00 0.00 0.00 0.68 -0.39 0.00 0.00 177.20 177.49 3lb5 s VAL 30 N -2.50 0.08 -0.05 2.53 -7.23 -1.22 -0.67 120.40 111.34 3lb5 s VAL 30 Ca -0.25 -1.90 0.00 0.00 -1.81 0.00 0.00 61.98 58.01 3lb5 s VAL 30 Cb 0.08 -2.14 0.02 0.00 0.56 0.00 0.00 36.38 34.90 3lb5 s VAL 30 CO 0.68 -0.35 -0.02 -0.63 -0.31 0.00 0.00 175.10 174.47 3lb5 s ILE 31 N -4.07 0.44 -0.18 -0.62 1.01 -0.63 -1.76 121.20 115.38 3lb5 s ILE 31 Ca 0.27 -0.02 -0.08 0.00 0.00 0.00 0.00 60.65 60.82 3lb5 s ILE 31 Cb 0.07 -0.52 -0.04 0.00 0.01 0.00 0.00 42.46 41.98 3lb5 s ILE 31 CO 0.04 0.23 0.09 0.00 0.00 0.00 0.00 174.94 175.30 3lb5 s ALA 32 N 1.28 3.55 0.09 9.38 0.00 -0.55 -1.74 121.76 133.78 3lb5 s ALA 32 Ca -0.05 -0.72 -0.09 0.00 0.00 0.00 0.00 51.96 51.10 3lb5 s ALA 32 Cb -0.13 -2.02 0.00 0.00 0.00 0.00 0.00 23.12 20.96 3lb5 s ALA 32 CO -0.02 0.20 0.20 -0.59 0.00 0.00 0.00 175.76 175.55 3lb5 s PHE 33 N 0.27 0.13 0.13 0.00 -0.12 -0.72 -0.23 117.98 117.45 3lb5 s PHE 33 Ca 0.06 -0.56 -0.30 0.00 -0.05 0.00 0.00 56.93 56.08 3lb5 s PHE 33 Cb -0.12 -0.04 -0.07 0.00 -0.63 0.00 0.00 43.02 42.16 3lb5 s PHE 33 CO -0.01 -0.55 1.11 -1.64 -0.05 0.00 0.00 175.22 174.08 3lb5 s MET 34 N -3.86 4.56 0.03 1.99 -1.94 0.39 -0.90 119.30 119.57 3lb5 s MET 34 Ca 0.05 1.69 -0.30 0.00 -1.71 0.00 0.00 55.69 55.42 3lb5 s MET 34 Cb 0.05 -3.31 -0.06 0.00 2.01 0.00 0.00 34.83 33.52 3lb5 s MET 34 CO -0.11 -0.01 1.33 0.34 -0.01 0.00 0.00 175.02 176.56 3lb5 s ASP 35 N 0.27 6.92 0.07 3.03 -1.08 -0.92 -4.76 116.67 120.20 3lb5 s ASP 35 Ca 0.52 2.10 0.22 0.00 -0.52 0.00 0.00 52.55 54.87 3lb5 s ASP 35 Cb -0.28 -2.57 0.90 0.00 -1.46 0.00 0.00 42.92 39.51 3lb5 s ASP 35 CO 0.33 -0.63 1.69 2.30 0.52 0.00 0.00 175.17 179.38 3lb5 n ILE 36 N 4.33 0.60 -3.21 4.11 -5.35 -1.26 -3.48 119.36 115.09 3lb5 n ILE 36 Ca 0.12 0.10 -0.26 0.00 -0.27 0.00 0.00 62.75 62.43 3lb5 n ILE 36 Cb 0.44 -0.81 -0.06 0.00 -1.74 0.00 0.00 39.64 37.47 3lb5 n ILE 36 CO 0.00 0.00 0.00 0.23 -1.76 0.00 0.00 176.55 175.02 3lb5 n MET 37 N -1.72 2.41 -2.03 6.28 2.81 -1.26 -2.56 117.12 121.05 3lb5 n MET 37 Ca 0.05 -4.45 -0.41 0.00 -1.81 0.00 0.00 57.70 51.07 3lb5 n MET 37 Cb 0.27 -2.08 -0.02 0.00 -0.71 0.00 0.00 33.22 30.68 3lb5 n MET 37 CO 0.00 0.00 0.00 -1.25 1.51 0.00 0.00 175.97 176.23 3lb5 s PRO 38 N -2.65 4.28 0.19 0.03 0.04 -1.23 -4.89 135.00 130.78 3lb5 s PRO 38 Ca 0.42 2.29 0.26 0.00 0.04 0.00 0.00 61.00 64.01 3lb5 s PRO 38 Cb 0.21 -3.10 0.88 0.00 0.04 0.00 0.00 34.50 32.54 3lb5 s PRO 38 CO -0.07 -0.37 1.77 1.04 0.04 0.00 0.00 177.00 179.41 3lb5 n GLN 39 N 1.93 0.22 -3.56 4.56 6.02 -1.26 -4.85 117.38 120.43 3lb5 n GLN 39 Ca 0.05 0.23 -0.13 0.00 -0.01 0.00 0.00 57.00 57.14 3lb5 n GLN 39 Cb 0.41 -1.78 -0.05 0.00 1.02 0.00 0.00 30.24 29.83 3lb5 n GLN 39 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 3lb5 s ALA 40 N -3.13 -1.87 0.15 -1.58 0.00 -1.26 -4.70 121.76 109.37 3lb5 s ALA 40 Ca 0.10 1.49 -0.32 0.00 0.00 0.00 0.00 51.96 53.22 3lb5 s ALA 40 Cb 0.12 -0.44 -0.12 0.00 0.00 0.00 0.00 23.12 22.68 3lb5 s ALA 40 CO 0.54 -0.33 1.75 -2.30 0.00 0.00 0.00 175.76 175.42 3lb5 n PRO 41 N 0.83 2.61 -0.16 0.00 -0.02 -1.26 -2.00 135.00 135.00 3lb5 n PRO 41 Ca -0.14 0.95 0.00 0.00 -2.02 0.00 0.00 63.50 62.29 3lb5 n PRO 41 Cb 0.57 -2.80 0.00 0.00 -0.02 0.00 0.00 33.50 31.26 3lb5 n PRO 41 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3lb5 n GLY 42 N 3.98 0.66 3.62 -1.23 0.00 -1.26 -4.73 105.19 106.22 3lb5 n GLY 42 Ca 0.17 0.00 -0.48 0.00 0.00 0.00 0.00 46.02 45.71 3lb5 n GLY 42 CO 0.00 0.00 0.00 1.57 0.00 0.00 0.00 173.32 174.89 3lb5 n HIS 43 N -2.04 2.12 -4.38 1.61 -0.00 -0.85 -4.77 115.22 106.91 3lb5 n HIS 43 Ca 0.00 0.04 -0.28 0.00 -0.00 0.00 0.00 57.72 57.48 3lb5 n HIS 43 Cb 0.00 -2.64 -0.13 0.00 -0.00 0.00 0.00 29.99 27.22 3lb5 n HIS 43 CO 0.00 0.00 0.00 0.99 -0.00 0.00 0.00 176.34 177.33 3lb5 s THR 44 N 5.45 2.21 0.03 3.57 2.01 -0.54 -2.17 115.64 126.20 3lb5 s THR 44 Ca 0.98 -1.76 0.08 0.00 0.31 0.00 0.00 61.69 61.29 3lb5 s THR 44 Cb -0.68 -1.96 -0.03 0.00 0.01 0.00 0.00 72.50 69.84 3lb5 s THR 44 CO 0.49 0.06 -0.21 -0.76 -0.69 0.00 0.00 174.62 173.50 3lb5 s LEU 45 N -2.09 2.43 -0.12 4.42 1.43 -0.08 -0.62 118.68 124.04 3lb5 s LEU 45 Ca 0.14 -0.46 0.03 0.00 -1.03 0.00 0.00 54.13 52.80 3lb5 s LEU 45 Cb -0.10 -1.43 0.00 0.00 0.03 0.00 0.00 46.19 44.70 3lb5 s LEU 45 CO 0.06 0.27 -0.23 -0.69 0.23 0.00 0.00 176.35 176.00 3lb5 s VAL 46 N -0.84 2.12 0.10 -1.59 1.01 -0.06 -1.75 120.40 119.38 3lb5 s VAL 46 Ca 0.13 -0.98 0.07 0.00 0.00 0.00 0.00 61.98 61.20 3lb5 s VAL 46 Cb -0.10 -1.82 -0.03 0.00 0.00 0.00 0.00 36.38 34.42 3lb5 s VAL 46 CO 0.03 0.55 -0.18 0.27 0.00 0.00 0.00 175.10 175.77 3lb5 s ILE 47 N 0.52 1.54 0.39 2.22 -4.36 -0.71 -1.14 121.20 119.67 3lb5 s ILE 47 Ca -0.14 -1.54 -0.24 0.00 -0.26 0.00 0.00 60.65 58.48 3lb5 s ILE 47 Cb -0.17 -1.46 -0.10 0.00 1.25 0.00 0.00 42.46 41.98 3lb5 s ILE 47 CO 0.05 -0.16 0.99 -2.16 0.24 0.00 0.00 174.94 173.90 3lb5 s PRO 48 N -2.02 4.29 0.26 0.37 0.04 -1.26 -1.61 135.00 135.07 3lb5 s PRO 48 Ca 0.05 1.33 0.06 0.00 0.04 0.00 0.00 61.00 62.48 3lb5 s PRO 48 Cb -0.09 -2.49 0.32 0.00 0.04 0.00 0.00 34.50 32.28 3lb5 s PRO 48 CO 0.04 0.00 1.61 0.87 0.04 0.00 0.00 177.00 179.56 3lb5 h LYS 49 N 2.47 0.21 -7.01 4.56 1.57 -1.20 -3.44 116.57 113.73 3lb5 h LYS 49 Ca -0.48 -0.13 -0.45 0.00 -1.87 0.00 0.00 60.65 57.72 3lb5 h LYS 49 Cb 1.20 0.01 -0.02 0.00 0.08 0.00 0.00 32.23 33.50 3lb5 h LYS 49 CO 0.63 0.71 0.33 0.15 -0.57 0.00 0.00 179.45 180.70 3lb5 s LYS 50 N -3.85 4.30 -0.20 3.15 1.02 -1.26 -5.01 119.74 117.89 3lb5 s LYS 50 Ca -0.04 1.15 -0.18 0.00 0.02 0.00 0.00 55.97 56.93 3lb5 s LYS 50 Cb 0.12 -2.33 -0.03 0.00 -0.52 0.00 0.00 37.83 35.07 3lb5 s LYS 50 CO 0.79 0.05 0.50 0.20 -0.92 0.00 0.00 175.35 175.96 3lb5 s GLY 51 N -2.05 2.09 0.03 -3.33 0.00 -1.26 -5.00 107.32 97.79 3lb5 s GLY 51 Ca 0.59 -0.42 0.01 0.00 0.00 0.00 0.00 44.72 44.90 3lb5 s GLY 51 CO 0.16 1.02 -0.05 -0.56 0.00 0.00 0.00 173.10 173.67 3lb5 s SER 52 N 1.12 0.51 0.11 1.64 0.01 -1.26 -4.92 113.70 110.91 3lb5 s SER 52 Ca 0.23 -0.45 -0.18 0.00 1.31 0.00 0.00 55.95 56.86 3lb5 s SER 52 Cb -0.15 0.05 -0.06 0.00 0.21 0.00 0.00 66.02 66.07 3lb5 s SER 52 CO 0.09 -0.21 1.64 0.03 0.41 0.00 0.00 173.24 175.20 3lb5 h ARG 53 N 4.80 0.42 0.00 12.44 3.08 -1.90 -0.68 114.38 132.54 3lb5 h ARG 53 Ca -0.33 -0.08 0.00 0.00 0.07 0.00 0.00 59.98 59.64 3lb5 h ARG 53 Cb 1.21 -0.07 0.00 0.00 0.08 0.00 0.00 29.97 31.19 3lb5 h ARG 53 CO 0.42 0.46 0.00 0.27 -1.07 0.00 0.00 179.97 180.05 3lb5 n ASN 54 N -4.75 0.00 0.09 7.04 0.23 -1.26 -2.41 115.26 114.20 3lb5 n ASN 54 Ca -0.02 0.00 -0.05 0.00 -0.53 0.00 0.00 54.58 53.97 3lb5 n ASN 54 Cb 0.14 0.00 0.11 0.00 -2.08 0.00 0.00 39.78 37.95 3lb5 n ASN 54 CO 0.00 0.00 0.00 0.25 -0.93 0.00 0.00 177.26 176.58 3lb5 h LEU 55 N 0.00 0.25 -0.84 -4.53 5.85 -1.93 -3.21 115.31 110.90 3lb5 h LEU 55 Ca 0.00 -0.15 -0.09 0.00 0.84 0.00 0.00 57.88 58.48 3lb5 h LEU 55 Cb 0.00 -0.07 -0.02 0.00 0.37 0.00 0.00 40.66 40.94 3lb5 h LEU 55 CO 0.00 0.82 -0.08 -0.07 -0.34 0.00 0.00 178.44 178.77 3lb5 h LEU 56 N 0.16 0.76 -2.28 2.25 3.38 -1.98 -2.81 115.31 114.79 3lb5 h LEU 56 Ca -0.01 -0.22 0.00 0.00 0.09 0.00 0.00 57.88 57.74 3lb5 h LEU 56 Cb 1.15 -0.21 0.00 0.00 0.09 0.00 0.00 40.66 41.70 3lb5 h LEU 56 CO 0.10 0.88 0.00 -0.90 0.09 0.00 0.00 178.44 178.61 3lb5 n ASP 57 N -4.18 3.16 -4.73 -0.43 5.75 -1.26 -5.02 116.55 109.85 3lb5 n ASP 57 Ca 0.02 -1.92 -0.42 0.00 -0.01 0.00 0.00 54.79 52.46 3lb5 n ASP 57 Cb 0.35 -0.21 -0.03 0.00 -1.03 0.00 0.00 41.12 40.21 3lb5 n ASP 57 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 3lb5 s ALA 58 N -1.33 3.74 -0.59 2.12 0.00 -1.06 -4.85 121.76 119.79 3lb5 s ALA 58 Ca 0.32 1.41 -0.33 0.00 0.00 0.00 0.00 51.96 53.36 3lb5 s ALA 58 Cb 0.19 -3.61 -0.14 0.00 0.00 0.00 0.00 23.12 19.55 3lb5 s ALA 58 CO 0.27 -0.82 2.38 -3.47 0.00 0.00 0.00 175.76 174.12 3lb5 n ASP 59 N 3.11 1.46 -0.29 0.00 2.03 -1.26 -4.78 116.55 116.82 3lb5 n ASP 59 Ca 0.11 0.18 0.09 0.00 0.52 0.00 0.00 54.79 55.69 3lb5 n ASP 59 Cb 0.39 -1.19 0.32 0.00 -0.72 0.00 0.00 41.12 39.92 3lb5 n ASP 59 CO 0.00 0.00 0.00 0.74 -1.92 0.00 0.00 177.20 176.02 3lb5 h THR 60 N 7.48 0.91 -0.04 5.18 2.02 -1.96 0.32 112.91 126.83 3lb5 h THR 60 Ca -0.18 -0.28 0.01 0.00 0.77 0.00 0.00 66.41 66.73 3lb5 h THR 60 Cb 1.32 0.01 -0.02 0.00 -1.74 0.00 0.00 68.15 67.72 3lb5 h THR 60 CO 1.17 0.15 -0.20 -0.08 0.37 0.00 0.00 175.52 176.93 3lb5 h GLU 61 N 0.83 -0.22 0.00 6.66 4.81 -2.02 -2.90 114.58 121.74 3lb5 h GLU 61 Ca 0.44 0.01 0.00 0.00 -0.13 0.00 0.00 59.36 59.68 3lb5 h GLU 61 Cb 0.53 0.05 0.00 0.00 0.63 0.00 0.00 28.75 29.96 3lb5 h GLU 61 CO -0.20 -0.14 0.00 2.41 -0.73 0.00 0.00 179.01 180.35 3lb5 n THR 62 N -3.61 1.07 0.29 0.32 -1.04 -0.02 -1.06 114.28 110.23 3lb5 n THR 62 Ca -0.02 0.48 0.13 0.00 -2.04 0.00 0.00 64.05 62.60 3lb5 n THR 62 Cb 0.14 -1.43 0.84 0.00 -1.82 0.00 0.00 70.33 68.07 3lb5 n THR 62 CO 0.00 0.00 0.00 -0.07 -0.64 0.00 0.00 175.07 174.36 3lb5 h LEU 63 N 0.00 0.00 0.42 -4.42 3.38 -1.01 -2.49 115.31 111.19 3lb5 h LEU 63 Ca 0.00 0.00 -0.02 0.00 0.09 0.00 0.00 57.88 57.95 3lb5 h LEU 63 Cb 0.16 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.91 3lb5 h LEU 63 CO 0.00 0.01 -0.20 -0.26 0.09 0.00 0.00 178.44 178.08 3lb5 h PHE 64 N 0.00 -0.52 -0.02 1.13 0.04 -1.22 0.01 116.94 116.35 3lb5 h PHE 64 Ca -0.00 -0.01 -0.03 0.00 2.80 0.00 0.00 57.97 60.73 3lb5 h PHE 64 Cb 0.02 0.17 -0.01 0.00 2.20 0.00 0.00 35.95 38.34 3lb5 h PHE 64 CO 0.00 -0.20 -0.14 -1.00 -0.60 0.00 0.00 178.31 176.37 3lb5 h PRO 65 N -0.96 0.02 0.22 1.51 0.13 -1.76 -1.33 132.00 129.83 3lb5 h PRO 65 Ca -0.06 -0.00 -0.01 0.00 -0.87 0.00 0.00 66.00 65.06 3lb5 h PRO 65 Cb 0.56 -0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.69 3lb5 h PRO 65 CO 0.10 0.16 -0.10 0.28 -0.23 0.00 0.00 178.00 178.20 3lb5 h VAL 66 N 0.02 0.81 -0.32 1.56 2.07 -1.34 -1.71 116.25 117.33 3lb5 h VAL 66 Ca 0.00 -0.10 -0.11 0.00 0.82 0.00 0.00 66.70 67.31 3lb5 h VAL 66 Cb 0.26 0.87 -0.01 0.00 -1.52 0.00 0.00 31.29 30.89 3lb5 h VAL 66 CO 0.02 0.02 -0.23 -0.29 0.02 0.00 0.00 177.57 177.11 3lb5 h ILE 67 N -0.34 1.27 -0.66 4.57 6.09 -0.68 -0.55 117.51 127.21 3lb5 h ILE 67 Ca -0.03 -1.30 0.10 0.00 -1.37 0.00 0.00 64.86 62.26 3lb5 h ILE 67 Cb 0.26 1.27 -0.08 0.00 0.47 0.00 0.00 36.82 38.75 3lb5 h ILE 67 CO 0.05 0.43 0.27 0.50 -3.07 0.00 0.00 178.15 176.32 3lb5 h LYS 68 N 0.56 0.44 -0.12 2.19 3.64 -1.24 -1.52 116.57 120.52 3lb5 h LYS 68 Ca 0.08 -0.03 -0.19 0.00 -1.27 0.00 0.00 60.65 59.24 3lb5 h LYS 68 Cb 0.70 -0.10 -0.00 0.00 -0.41 0.00 0.00 32.23 32.42 3lb5 h LYS 68 CO 0.05 0.29 -0.70 0.00 -2.27 0.00 0.00 179.45 176.83 3lb5 h ALA 69 N 1.44 0.55 -0.60 5.00 0.00 -0.63 -1.33 119.26 123.69 3lb5 h ALA 69 Ca 0.33 -0.58 0.00 0.00 0.00 0.00 0.00 54.91 54.66 3lb5 h ALA 69 Cb 0.42 -0.06 -0.03 0.00 0.00 0.00 0.00 17.79 18.12 3lb5 h ALA 69 CO -0.31 0.73 0.38 0.28 0.00 0.00 0.00 179.25 180.33 3lb5 h VAL 70 N 0.38 1.16 -0.35 0.00 2.07 -0.88 0.63 116.25 119.27 3lb5 h VAL 70 Ca -0.03 -0.32 -0.02 0.00 0.82 0.00 0.00 66.70 67.15 3lb5 h VAL 70 Cb 1.28 0.30 -0.02 0.00 -1.52 0.00 0.00 31.29 31.34 3lb5 h VAL 70 CO 0.13 0.16 0.14 -0.61 0.02 0.00 0.00 177.57 177.41 3lb5 h GLN 71 N 0.81 0.52 -0.82 1.57 4.15 -1.07 0.25 115.11 120.52 3lb5 h GLN 71 Ca 0.22 -0.09 0.03 0.00 0.77 0.00 0.00 58.65 59.58 3lb5 h GLN 71 Cb -0.07 -0.08 -0.05 0.00 0.21 0.00 0.00 27.48 27.49 3lb5 h GLN 71 CO -0.04 0.51 0.53 0.87 -1.93 0.00 0.00 178.83 178.76 3lb5 h LYS 72 N 0.41 1.00 -0.16 1.69 1.57 -0.90 -1.57 116.57 118.60 3lb5 h LYS 72 Ca 0.12 -0.06 -0.10 0.00 -1.87 0.00 0.00 60.65 58.74 3lb5 h LYS 72 Cb 0.19 -0.22 -0.00 0.00 0.08 0.00 0.00 32.23 32.27 3lb5 h LYS 72 CO -0.01 0.66 -0.27 0.82 -0.57 0.00 0.00 179.45 180.08 3lb5 h ILE 73 N 1.03 1.35 -0.50 1.86 1.08 -0.71 -2.02 117.51 119.59 3lb5 h ILE 73 Ca 0.33 -1.51 0.10 0.00 -0.39 0.00 0.00 64.86 63.39 3lb5 h ILE 73 Cb 0.01 1.94 -0.08 0.00 -3.07 0.00 0.00 36.82 35.62 3lb5 h ILE 73 CO -0.12 0.45 0.01 0.00 -0.69 0.00 0.00 178.15 177.80 3lb5 h ALA 74 N 0.58 0.48 -0.47 1.87 0.00 -0.30 0.17 119.26 121.59 3lb5 h ALA 74 Ca 0.01 0.15 -0.05 0.00 0.00 0.00 0.00 54.91 55.02 3lb5 h ALA 74 Cb 0.85 0.25 -0.02 0.00 0.00 0.00 0.00 17.79 18.88 3lb5 h ALA 74 CO 0.06 -0.38 0.09 0.87 0.00 0.00 0.00 179.25 179.88 3lb5 h LYS 75 N 0.12 0.77 -0.13 0.00 1.57 -1.27 -1.49 116.57 116.14 3lb5 h LYS 75 Ca 0.25 -0.20 -0.23 0.00 -1.87 0.00 0.00 60.65 58.60 3lb5 h LYS 75 Cb 0.38 -0.09 0.01 0.00 0.08 0.00 0.00 32.23 32.61 3lb5 h LYS 75 CO -0.42 0.78 -0.82 0.00 -0.57 0.00 0.00 179.45 178.42 3lb5 h ALA 76 N 0.96 0.29 -0.32 3.86 0.00 -1.05 -1.13 119.26 121.87 3lb5 h ALA 76 Ca 0.14 -0.62 -0.00 0.00 0.00 0.00 0.00 54.91 54.44 3lb5 h ALA 76 Cb 0.37 -0.01 -0.02 0.00 0.00 0.00 0.00 17.79 18.14 3lb5 h ALA 76 CO 0.01 0.69 0.20 0.28 0.00 0.00 0.00 179.25 180.43 3lb5 h VAL 77 N 0.51 1.10 -0.20 0.00 2.07 -0.70 0.13 116.25 119.17 3lb5 h VAL 77 Ca -0.06 -0.23 0.03 0.00 0.82 0.00 0.00 66.70 67.26 3lb5 h VAL 77 Cb 1.45 0.67 -0.03 0.00 -1.52 0.00 0.00 31.29 31.86 3lb5 h VAL 77 CO 0.17 0.10 0.03 0.50 0.02 0.00 0.00 177.57 178.39 3lb5 h LYS 78 N 0.42 0.10 -0.17 1.57 3.64 -1.09 -1.85 116.57 119.20 3lb5 h LYS 78 Ca 0.12 -0.01 -0.01 0.00 -1.27 0.00 0.00 60.65 59.48 3lb5 h LYS 78 Cb -0.01 -0.02 -0.01 0.00 -0.41 0.00 0.00 32.23 31.78 3lb5 h LYS 78 CO -0.02 0.07 0.06 -0.22 -2.27 0.00 0.00 179.45 177.06 3lb5 h LYS 79 N 0.10 0.26 -0.69 1.90 3.64 -1.09 0.05 116.57 120.74 3lb5 h LYS 79 Ca 0.09 -0.05 -0.00 0.00 -1.27 0.00 0.00 60.65 59.42 3lb5 h LYS 79 Cb 0.10 -0.04 -0.03 0.00 -0.41 0.00 0.00 32.23 31.84 3lb5 h LYS 79 CO -0.13 0.37 0.43 0.00 -2.27 0.00 0.00 179.45 177.84 3lb5 h ALA 80 N 0.88 1.45 -0.26 5.00 0.00 -0.56 -2.62 119.26 123.15 3lb5 h ALA 80 Ca 0.05 -0.07 0.00 0.00 0.00 0.00 0.00 54.91 54.89 3lb5 h ALA 80 Cb 0.21 -0.28 0.00 0.00 0.00 0.00 0.00 17.79 17.72 3lb5 h ALA 80 CO -0.00 0.49 0.00 1.19 0.00 0.00 0.00 179.25 180.92 3lb5 n PHE 81 N -4.41 0.33 -4.10 0.00 3.72 -0.71 -4.96 117.46 107.34 3lb5 n PHE 81 Ca 0.07 -0.21 -0.33 0.00 -0.05 0.00 0.00 57.45 56.94 3lb5 n PHE 81 Cb 0.06 -0.00 -0.04 0.00 -0.94 0.00 0.00 39.48 38.56 3lb5 n PHE 81 CO 0.00 0.00 0.00 1.04 -0.05 0.00 0.00 176.76 177.75 3lb5 n GLN 82 N 1.13 -1.49 -3.00 -1.08 1.13 -0.13 -4.90 117.38 109.05 3lb5 n GLN 82 Ca 0.15 0.21 -0.35 0.00 -1.94 0.00 0.00 57.00 55.07 3lb5 n GLN 82 Cb 0.51 -3.67 -0.06 0.00 0.11 0.00 0.00 30.24 27.12 3lb5 n GLN 82 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 3lb5 s ALA 83 N -3.99 3.29 0.23 -1.58 0.00 -0.40 -4.98 121.76 114.33 3lb5 s ALA 83 Ca 0.16 0.24 0.06 0.00 0.00 0.00 0.00 51.96 52.42 3lb5 s ALA 83 Cb -0.08 -2.93 0.23 0.00 0.00 0.00 0.00 23.12 20.34 3lb5 s ALA 83 CO 0.95 0.27 1.54 -0.44 0.00 0.00 0.00 175.76 178.08 3lb5 h ASP 84 N 2.83 0.16 -5.35 0.00 3.32 -1.60 -3.47 116.42 112.32 3lb5 h ASP 84 Ca -0.48 -0.10 -0.19 0.00 0.02 0.00 0.00 57.03 56.28 3lb5 h ASP 84 Cb 1.19 -0.05 -0.05 0.00 0.22 0.00 0.00 39.33 40.64 3lb5 h ASP 84 CO 0.65 0.78 -0.02 -0.83 -1.72 0.00 0.00 179.24 178.09 3lb5 s GLY 85 N -4.42 1.13 -0.04 2.75 0.00 -0.77 -4.98 107.32 100.98 3lb5 s GLY 85 Ca -0.03 -1.27 -0.02 0.00 0.00 0.00 0.00 44.72 43.41 3lb5 s GLY 85 CO 0.79 -0.76 0.08 -0.42 0.00 0.00 0.00 173.10 172.79 3lb5 s ILE 86 N -2.74 -0.09 -0.21 0.90 -1.09 -1.26 -1.03 121.20 115.69 3lb5 s ILE 86 Ca 0.25 0.26 -0.06 0.00 -2.23 0.00 0.00 60.65 58.87 3lb5 s ILE 86 Cb -0.02 -0.17 -0.03 0.00 -1.58 0.00 0.00 42.46 40.66 3lb5 s ILE 86 CO 0.18 0.11 0.04 -0.89 -1.23 0.00 0.00 174.94 173.14 3lb5 s THR 87 N 1.44 4.27 -0.15 2.92 2.01 -0.05 -4.95 115.64 121.13 3lb5 s THR 87 Ca -0.05 -0.20 -0.04 0.00 0.31 0.00 0.00 61.69 61.70 3lb5 s THR 87 Cb -0.12 -2.95 -0.03 0.00 0.01 0.00 0.00 72.50 69.41 3lb5 s THR 87 CO -0.04 0.41 -0.02 -0.69 -0.69 0.00 0.00 174.62 173.59 3lb5 s VAL 88 N 0.99 4.10 0.04 3.82 1.01 -1.26 -0.86 120.40 128.24 3lb5 s VAL 88 Ca 0.03 -0.29 0.02 0.00 0.00 0.00 0.00 61.98 61.74 3lb5 s VAL 88 Cb -0.14 -2.80 -0.02 0.00 0.00 0.00 0.00 36.38 33.42 3lb5 s VAL 88 CO 0.02 0.50 -0.08 -0.04 0.00 0.00 0.00 175.10 175.50 3lb5 s MET 89 N 0.24 0.54 -0.13 2.72 -1.94 -0.88 -4.97 119.30 114.88 3lb5 s MET 89 Ca -0.01 -0.68 -0.07 0.00 -1.71 0.00 0.00 55.69 53.22 3lb5 s MET 89 Cb -0.14 -0.36 0.05 0.00 2.01 0.00 0.00 34.83 36.39 3lb5 s MET 89 CO 0.02 0.07 0.30 -1.14 -0.01 0.00 0.00 175.02 174.27 3lb5 s GLN 90 N -1.35 0.28 -0.03 2.03 -0.44 -1.26 -0.05 119.66 118.83 3lb5 s GLN 90 Ca -0.07 0.61 0.07 0.00 -2.50 0.00 0.00 55.36 53.47 3lb5 s GLN 90 Cb -0.09 -0.07 -0.02 0.00 -1.64 0.00 0.00 33.01 31.20 3lb5 s GLN 90 CO 0.00 -0.15 -0.24 -0.06 0.50 0.00 0.00 175.29 175.34 3lb5 s PHE 91 N 1.24 2.23 -0.22 1.67 0.08 -1.26 -5.09 117.98 116.63 3lb5 s PHE 91 Ca -0.09 -0.51 0.02 0.00 0.12 0.00 0.00 56.93 56.46 3lb5 s PHE 91 Cb -0.09 -1.45 0.05 0.00 -0.57 0.00 0.00 43.02 40.96 3lb5 s PHE 91 CO -0.09 -0.10 -0.11 -0.80 -0.10 0.00 0.00 175.22 174.01 3lb5 s ASN 92 N -0.40 3.82 0.11 1.36 0.01 -1.26 -4.70 114.94 113.86 3lb5 s ASN 92 Ca 0.04 -1.09 0.00 0.00 -0.71 0.00 0.00 52.86 51.10 3lb5 s ASN 92 Cb -0.11 -1.37 0.00 0.00 0.41 0.00 0.00 41.25 40.18 3lb5 s ASN 92 CO 0.01 -0.16 0.00 -0.62 -1.51 0.00 0.00 177.10 174.82 3lb5 n GLU 93 N 4.58 -0.68 -0.36 -0.60 -0.58 -1.26 -4.17 120.64 117.57 3lb5 n GLU 93 Ca -0.15 0.51 -0.00 0.00 -0.42 0.00 0.00 57.16 57.10 3lb5 n GLU 93 Cb 0.45 -0.81 0.14 0.00 -0.57 0.00 0.00 31.44 30.65 3lb5 n GLU 93 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 3lb5 h ALA 94 N -0.30 1.34 0.00 0.62 0.00 -1.94 -1.37 119.26 117.60 3lb5 h ALA 94 Ca -0.02 -0.05 -0.00 0.00 0.00 0.00 0.00 54.91 54.84 3lb5 h ALA 94 Cb 0.30 -0.37 -0.00 0.00 0.00 0.00 0.00 17.79 17.72 3lb5 h ALA 94 CO 0.01 0.58 -0.01 0.00 0.00 0.00 0.00 179.25 179.84 3lb5 h ALA 95 N 1.41 1.26 -0.69 0.00 0.00 -1.90 0.26 119.26 119.59 3lb5 h ALA 95 Ca 0.38 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.28 3lb5 h ALA 95 Cb -0.06 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.73 3lb5 h ALA 95 CO -0.11 0.01 0.00 0.45 0.00 0.00 0.00 179.25 179.60 3lb5 n SER 96 N -3.46 3.92 -1.71 0.00 2.88 -0.65 -4.96 113.62 109.64 3lb5 n SER 96 Ca -0.03 -2.04 -0.16 0.00 -1.33 0.00 0.00 58.87 55.31 3lb5 n SER 96 Cb 0.09 -0.47 -0.02 0.00 -0.75 0.00 0.00 64.21 63.05 3lb5 n SER 96 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 3lb5 n GLN 97 N 1.50 -1.26 -2.15 -1.46 -0.00 0.90 -4.67 117.38 110.23 3lb5 n GLN 97 Ca 0.23 0.86 -0.42 0.00 -0.00 0.00 0.00 57.00 57.67 3lb5 n GLN 97 Cb 0.63 -5.21 -0.03 0.00 -0.00 0.00 0.00 30.24 25.63 3lb5 n GLN 97 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 177.06 175.92 3lb5 s GLN 98 N -4.47 4.26 -0.04 2.61 0.74 -0.61 -4.86 119.66 117.28 3lb5 s GLN 98 Ca 0.00 2.06 0.05 0.00 0.05 0.00 0.00 55.36 57.51 3lb5 s GLN 98 Cb 0.00 -3.60 -0.07 0.00 1.10 0.00 0.00 33.01 30.44 3lb5 s GLN 98 CO 0.00 -0.63 0.04 0.25 -0.55 0.00 0.00 175.29 174.40 3lb5 n THR 99 N 4.73 0.28 -3.60 -0.34 -2.24 -1.26 -4.07 114.28 107.78 3lb5 n THR 99 Ca 0.14 -0.20 -0.40 0.00 -2.27 0.00 0.00 64.05 61.32 3lb5 n THR 99 Cb 0.43 -0.64 -0.11 0.00 -2.10 0.00 0.00 70.33 67.91 3lb5 n THR 99 CO 0.00 0.00 0.00 -0.69 -0.57 0.00 0.00 175.07 173.81 3lb5 s VAL 100 N -2.17 4.78 -0.92 2.28 1.01 -1.26 -5.01 120.40 119.10 3lb5 s VAL 100 Ca -0.02 -0.51 -0.07 0.00 0.00 0.00 0.00 61.98 61.37 3lb5 s VAL 100 Cb 0.02 -3.51 -0.08 0.00 0.00 0.00 0.00 36.38 32.81 3lb5 s VAL 100 CO 0.21 -0.05 3.02 -1.22 0.00 0.00 0.00 175.10 177.06 3lb5 n TYR 101 N 5.02 1.63 -4.03 5.22 4.01 -1.26 -4.72 117.16 123.03 3lb5 n TYR 101 Ca -0.13 -2.41 -0.16 0.00 -0.16 0.00 0.00 57.90 55.04 3lb5 n TYR 101 Cb 0.48 -1.95 -0.15 0.00 -0.31 0.00 0.00 39.34 37.42 3lb5 n TYR 101 CO 0.00 0.00 0.00 -1.58 -0.46 0.00 0.00 176.86 174.82 3lb5 s HIS 102 N 0.61 0.34 -0.03 -0.72 2.46 -1.01 -4.29 115.29 112.65 3lb5 s HIS 102 Ca 0.64 -0.05 -0.34 0.00 0.47 0.00 0.00 55.06 55.78 3lb5 s HIS 102 Cb 0.25 -0.29 -0.12 0.00 -0.13 0.00 0.00 32.58 32.28 3lb5 s HIS 102 CO -0.07 -0.05 1.80 -0.11 -2.47 0.00 0.00 174.74 173.83 3lb5 n LEU 103 N 3.41 3.32 -3.82 8.88 7.94 -0.26 -4.80 117.00 131.67 3lb5 n LEU 103 Ca -0.18 1.00 -0.13 0.00 -1.11 0.00 0.00 56.01 55.60 3lb5 n LEU 103 Cb 0.56 -1.38 -0.14 0.00 0.53 0.00 0.00 43.42 42.99 3lb5 n LEU 103 CO 0.25 -0.13 -0.28 -1.38 -1.11 0.00 0.00 177.39 174.74 3lb5 s HIS 104 N 3.26 -0.08 -0.13 1.96 -3.43 -1.26 -4.20 115.29 111.41 3lb5 s HIS 104 Ca 0.89 0.24 -0.06 0.00 -0.80 0.00 0.00 55.06 55.33 3lb5 s HIS 104 Cb -0.70 -0.01 -0.04 0.00 -1.43 0.00 0.00 32.58 30.40 3lb5 s HIS 104 CO 0.49 -0.06 0.09 -0.06 -2.00 0.00 0.00 174.74 173.19 3lb5 s PHE 105 N 0.31 3.41 -0.00 0.38 0.08 -0.29 -4.47 117.98 117.40 3lb5 s PHE 105 Ca -0.02 0.35 -0.20 0.00 0.12 0.00 0.00 56.93 57.18 3lb5 s PHE 105 Cb -0.03 -1.94 -0.05 0.00 -0.57 0.00 0.00 43.02 40.42 3lb5 s PHE 105 CO -0.01 0.54 0.58 -1.01 -0.10 0.00 0.00 175.22 175.22 3lb5 s HIS 106 N -0.64 3.69 -0.26 0.36 3.76 0.93 -0.88 115.29 122.24 3lb5 s HIS 106 Ca 0.12 1.19 0.02 0.00 -0.15 0.00 0.00 55.06 56.24 3lb5 s HIS 106 Cb -0.12 -2.58 0.06 0.00 1.11 0.00 0.00 32.58 31.05 3lb5 s HIS 106 CO 0.02 0.38 -0.08 0.42 -0.85 0.00 0.00 174.74 174.63 3lb5 s ILE 107 N -0.29 1.98 -0.19 0.60 1.09 0.21 -2.07 121.20 122.53 3lb5 s ILE 107 Ca 0.30 -1.57 0.01 0.00 -1.10 0.00 0.00 60.65 58.30 3lb5 s ILE 107 Cb -0.18 -2.17 0.03 0.00 -1.06 0.00 0.00 42.46 39.08 3lb5 s ILE 107 CO 0.17 -0.10 -0.17 -0.63 -0.10 0.00 0.00 174.94 174.10 3lb5 s ILE 108 N 1.17 2.03 0.41 2.92 1.01 -0.04 -1.46 121.20 127.25 3lb5 s ILE 108 Ca -0.06 -1.06 -0.24 0.00 0.00 0.00 0.00 60.65 59.28 3lb5 s ILE 108 Cb -0.20 -1.91 -0.08 0.00 0.01 0.00 0.00 42.46 40.28 3lb5 s ILE 108 CO -0.06 0.41 1.13 -2.16 0.00 0.00 0.00 174.94 174.25 3lb5 s PRO 109 N 1.27 4.03 0.05 2.79 0.04 -1.26 -0.87 135.00 141.04 3lb5 s PRO 109 Ca 0.02 1.71 0.08 0.00 0.04 0.00 0.00 61.00 62.85 3lb5 s PRO 109 Cb -0.15 -2.57 -0.03 0.00 0.04 0.00 0.00 34.50 31.80 3lb5 s PRO 109 CO -0.11 -0.31 -0.23 1.03 0.04 0.00 0.00 177.00 177.43 3lb5 s ARG 110 N -2.45 1.53 -0.03 4.56 1.81 -0.19 -4.82 118.95 119.36 3lb5 s ARG 110 Ca 0.59 -1.01 0.07 0.00 -1.72 0.00 0.00 55.73 53.66 3lb5 s ARG 110 Cb -0.27 -1.67 -0.02 0.00 -0.45 0.00 0.00 34.95 32.54 3lb5 s ARG 110 CO 0.34 0.43 -0.23 -1.64 -0.68 0.00 0.00 175.30 173.51 3lb5 s MET 111 N -1.22 2.00 -0.30 3.54 -1.94 -1.26 -1.46 119.30 118.66 3lb5 s MET 111 Ca 0.09 -0.84 -0.44 0.00 -1.71 0.00 0.00 55.69 52.79 3lb5 s MET 111 Cb -0.09 -1.88 -0.20 0.00 2.01 0.00 0.00 34.83 34.67 3lb5 s MET 111 CO 0.02 0.48 1.41 -0.85 -0.01 0.00 0.00 175.02 176.07 3lb5 n GLU 112 N 2.60 0.07 -0.49 2.03 0.00 -1.26 -1.26 120.64 122.33 3lb5 n GLU 112 Ca -0.16 0.03 0.00 0.00 0.00 0.00 0.00 57.16 57.03 3lb5 n GLU 112 Cb 0.52 -1.54 0.00 0.00 0.00 0.00 0.00 31.44 30.42 3lb5 n GLU 112 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.13 177.54 3lb5 n GLY 113 N 3.10 1.88 3.46 -1.84 0.00 -1.26 -5.00 105.19 105.53 3lb5 n GLY 113 Ca 0.27 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.88 3lb5 n GLY 113 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3lb5 s ILE 114 N -3.45 4.98 0.76 -0.61 -1.09 -0.39 -5.08 121.20 116.33 3lb5 s ILE 114 Ca 0.00 -0.53 -0.11 0.00 -2.23 0.00 0.00 60.65 57.78 3lb5 s ILE 114 Cb 0.00 -3.67 0.05 0.00 -1.58 0.00 0.00 42.46 37.26 3lb5 s ILE 114 CO 0.00 -0.13 1.08 -1.83 -1.23 0.00 0.00 174.94 172.83 3lb5 s GLU 115 N 1.65 2.35 0.49 2.79 -1.05 -1.26 -4.59 118.70 119.09 3lb5 s GLU 115 Ca 0.05 0.87 -0.04 0.00 -0.15 0.00 0.00 54.97 55.70 3lb5 s GLU 115 Cb -0.18 -1.93 -0.02 0.00 -0.44 0.00 0.00 34.13 31.56 3lb5 s GLU 115 CO 0.09 -1.49 0.77 -0.51 0.95 0.00 0.00 175.26 175.06 3lb5 s LEU 116 N -5.76 3.57 -0.37 1.83 1.43 -1.26 -5.07 118.68 113.05 3lb5 s LEU 116 Ca 0.60 0.71 0.03 0.00 -1.03 0.00 0.00 54.13 54.44 3lb5 s LEU 116 Cb -0.15 -3.61 0.15 0.00 0.03 0.00 0.00 46.19 42.61 3lb5 s LEU 116 CO 0.55 -0.69 0.36 -0.89 0.23 0.00 0.00 176.35 175.91 3lb5 s THR 117 N -2.73 -0.28 -0.43 5.49 2.01 -1.26 -5.22 115.64 113.23 3lb5 s THR 117 Ca 0.48 -1.08 -0.26 0.00 0.31 0.00 0.00 61.69 61.14 3lb5 s THR 117 Cb -0.10 -0.72 0.02 0.00 0.01 0.00 0.00 72.50 71.71 3lb5 s THR 117 CO 0.43 -0.63 0.97 -2.84 -0.69 0.00 0.00 174.62 171.86 3lb5 s PRO 118 N 1.38 3.70 -0.79 4.92 0.02 -1.26 -4.93 135.00 138.04 3lb5 s PRO 118 Ca 0.17 0.43 0.02 0.00 0.02 0.00 0.00 61.00 61.64 3lb5 s PRO 118 Cb -0.16 -3.87 0.23 0.00 0.02 0.00 0.00 34.50 30.72 3lb5 s PRO 118 CO -0.03 -1.14 0.80 -1.71 -0.33 0.00 0.00 177.00 174.59 3lb5 n ASN 121 N 7.15 4.08 -4.42 2.53 5.15 -1.26 -5.17 115.26 123.33 3lb5 n ASN 121 Ca 0.08 -3.30 -0.34 0.00 -0.60 0.00 0.00 54.58 50.41 3lb5 n ASN 121 Cb 0.48 -0.88 -0.13 0.00 -0.53 0.00 0.00 39.78 38.73 3lb5 n ASN 121 CO 0.00 0.00 0.00 -0.51 1.40 0.00 0.00 177.26 178.15 3lb5 s ILE 122 N -1.99 3.66 -0.22 -1.44 2.07 -1.26 -5.10 121.20 116.91 3lb5 s ILE 122 Ca 0.32 -0.42 -0.01 0.00 -1.41 0.00 0.00 60.65 59.13 3lb5 s ILE 122 Cb 0.03 -2.62 0.02 0.00 0.13 0.00 0.00 42.46 40.02 3lb5 s ILE 122 CO -0.07 0.46 -0.11 -0.63 -1.91 0.00 0.00 174.94 172.68 3lb5 s ILE 123 N 0.81 2.61 -0.21 2.00 1.01 -1.26 -4.26 121.20 121.89 3lb5 s ILE 123 Ca -0.01 -0.95 -0.08 0.00 0.00 0.00 0.00 60.65 59.60 3lb5 s ILE 123 Cb -0.15 -2.24 -0.04 0.00 0.01 0.00 0.00 42.46 40.04 3lb5 s ILE 123 CO 0.02 0.34 0.10 -0.89 0.00 0.00 0.00 174.94 174.51 3lb5 s THR 124 N 1.32 4.92 0.65 2.92 2.01 -1.06 -5.07 115.64 121.33 3lb5 s THR 124 Ca 0.02 0.02 -0.11 0.00 0.31 0.00 0.00 61.69 61.93 3lb5 s THR 124 Cb -0.15 -3.26 -0.02 0.00 0.01 0.00 0.00 72.50 69.08 3lb5 s THR 124 CO -0.07 0.40 1.04 -2.16 -0.69 0.00 0.00 174.62 173.14 3lb5 s PRO 125 N 0.79 3.34 0.28 4.92 0.04 -1.26 -4.83 135.00 138.29 3lb5 s PRO 125 Ca 0.05 0.81 0.02 0.00 0.04 0.00 0.00 61.00 61.93 3lb5 s PRO 125 Cb -0.13 -2.05 0.65 0.00 0.04 0.00 0.00 34.50 33.02 3lb5 s PRO 125 CO 0.02 -0.77 1.74 1.15 0.04 0.00 0.00 177.00 179.18 3lb5 h THR 126 N -0.47 0.63 -0.75 1.26 2.02 -1.98 -2.23 112.91 111.39 3lb5 h THR 126 Ca -0.44 -0.19 0.05 0.00 0.77 0.00 0.00 66.41 66.59 3lb5 h THR 126 Cb 1.20 0.01 -0.05 0.00 -1.74 0.00 0.00 68.15 67.57 3lb5 h THR 126 CO 0.60 0.10 0.45 -0.33 0.37 0.00 0.00 175.52 176.72 3lb5 h GLU 127 N 0.57 0.83 0.13 6.66 3.07 -1.99 0.40 114.58 124.24 3lb5 h GLU 127 Ca 0.53 -0.05 -0.30 0.00 -0.50 0.00 0.00 59.36 59.04 3lb5 h GLU 127 Cb 0.87 -0.19 0.03 0.00 -0.84 0.00 0.00 28.75 28.62 3lb5 h GLU 127 CO -0.43 0.55 -1.26 0.82 -1.40 0.00 0.00 179.01 177.29 3lb5 h ILE 128 N 0.85 1.30 -0.70 3.13 2.04 -1.81 -2.43 117.51 119.89 3lb5 h ILE 128 Ca 0.32 -2.52 -0.01 0.00 1.00 0.00 0.00 64.86 63.64 3lb5 h ILE 128 Cb 0.12 2.73 -0.03 0.00 -0.74 0.00 0.00 36.82 38.89 3lb5 h ILE 128 CO -0.15 0.76 0.40 -0.07 0.00 0.00 0.00 178.15 179.09 3lb5 h LEU 129 N 0.25 0.87 -0.80 1.44 3.38 -1.11 -1.88 115.31 117.46 3lb5 h LEU 129 Ca -0.19 -0.08 -0.00 0.00 0.09 0.00 0.00 57.88 57.70 3lb5 h LEU 129 Cb 1.93 -0.22 -0.04 0.00 0.09 0.00 0.00 40.66 42.42 3lb5 h LEU 129 CO 0.24 0.70 0.50 -0.08 0.09 0.00 0.00 178.44 179.89 3lb5 h GLU 130 N 0.97 1.07 -0.16 1.13 4.57 -0.22 0.42 114.58 122.36 3lb5 h GLU 130 Ca 0.25 -0.09 0.01 0.00 -1.18 0.00 0.00 59.36 58.35 3lb5 h GLU 130 Cb 0.01 -0.23 -0.01 0.00 -0.16 0.00 0.00 28.75 28.36 3lb5 h GLU 130 CO -0.04 0.74 0.09 0.93 -1.18 0.00 0.00 179.01 179.55 3lb5 h GLU 131 N 1.09 0.18 -0.46 1.92 4.39 -1.04 -1.37 114.58 119.30 3lb5 h GLU 131 Ca 0.29 -0.01 -0.09 0.00 0.34 0.00 0.00 59.36 59.89 3lb5 h GLU 131 Cb -0.07 -0.04 -0.02 0.00 -0.10 0.00 0.00 28.75 28.52 3lb5 h GLU 131 CO -0.06 0.12 -0.07 -0.91 -1.16 0.00 0.00 179.01 176.94 3lb5 h ASN 132 N 0.19 0.78 -0.63 1.42 2.35 -1.08 -2.45 115.58 116.16 3lb5 h ASN 132 Ca 0.06 -0.22 -0.06 0.00 -0.55 0.00 0.00 56.30 55.53 3lb5 h ASN 132 Cb -0.00 -0.21 -0.03 0.00 0.05 0.00 0.00 38.32 38.13 3lb5 h ASN 132 CO -0.03 0.89 0.16 0.00 -1.65 0.00 0.00 177.43 176.80 3lb5 h ALA 133 N 1.19 1.04 -0.86 -0.83 0.00 -0.67 -1.91 119.26 117.22 3lb5 h ALA 133 Ca 0.13 -0.24 -0.02 0.00 0.00 0.00 0.00 54.91 54.78 3lb5 h ALA 133 Cb 0.54 -0.26 -0.04 0.00 0.00 0.00 0.00 17.79 18.04 3lb5 h ALA 133 CO 0.03 0.63 0.45 0.87 0.00 0.00 0.00 179.25 181.23 3lb5 h LYS 134 N 0.99 1.21 -0.30 0.00 1.57 -0.87 0.13 116.57 119.30 3lb5 h LYS 134 Ca 0.21 -0.16 -0.01 0.00 -1.87 0.00 0.00 60.65 58.82 3lb5 h LYS 134 Cb 0.35 -0.23 -0.01 0.00 0.08 0.00 0.00 32.23 32.42 3lb5 h LYS 134 CO 0.00 0.91 0.15 0.87 -0.57 0.00 0.00 179.45 180.81 3lb5 h LYS 135 N 1.21 0.43 -0.50 3.15 1.57 -1.15 0.65 116.57 121.93 3lb5 h LYS 135 Ca 0.30 -0.06 -0.05 0.00 -1.87 0.00 0.00 60.65 58.97 3lb5 h LYS 135 Cb 0.07 -0.08 -0.02 0.00 0.08 0.00 0.00 32.23 32.28 3lb5 h LYS 135 CO -0.04 0.40 0.13 0.82 -0.57 0.00 0.00 179.45 180.19 3lb5 h ILE 136 N 0.35 1.24 -0.62 1.86 2.04 -1.12 -2.50 117.51 118.75 3lb5 h ILE 136 Ca 0.10 -0.82 0.03 0.00 1.00 0.00 0.00 64.86 65.17 3lb5 h ILE 136 Cb 0.11 0.82 -0.04 0.00 -0.74 0.00 0.00 36.82 36.96 3lb5 h ILE 136 CO -0.01 0.30 0.38 0.03 0.00 0.00 0.00 178.15 178.84 3lb5 h ARG 137 N 0.68 0.72 0.00 2.37 3.08 -0.48 -1.42 114.38 119.33 3lb5 h ARG 137 Ca 0.16 -0.04 -0.01 0.00 0.07 0.00 0.00 59.98 60.15 3lb5 h ARG 137 Cb 0.31 -0.16 -0.00 0.00 0.08 0.00 0.00 29.97 30.20 3lb5 h ARG 137 CO -0.00 0.47 -0.06 0.00 -1.07 0.00 0.00 179.97 179.32 3lb5 h ALA 138 N 1.28 1.47 -0.00 0.04 0.00 -0.71 -2.64 119.26 118.69 3lb5 h ALA 138 Ca 0.25 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 55.11 3lb5 h ALA 138 Cb 0.04 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.82 3lb5 h ALA 138 CO -0.11 0.07 -0.34 0.00 0.00 0.00 0.00 179.25 178.87 3lb5 n ALA 139 N -2.33 3.23 0.57 0.00 0.00 -0.55 -5.09 120.51 116.33 3lb5 n ALA 139 Ca -0.03 -0.34 0.05 0.00 0.00 0.00 0.00 53.44 53.12 3lb5 n ALA 139 Cb 0.15 -1.17 0.27 0.00 0.00 0.00 0.00 19.45 18.70 3lb5 n ALA 139 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78