#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2bs5 s SER 2 N 0.00 3.95 0.87 4.04 0.15 -1.26 -5.13 113.70 116.32 2bs5 s SER 2 Ca 0.00 -0.99 -0.11 0.00 0.70 0.00 0.00 55.95 55.55 2bs5 s SER 2 Cb 0.00 -0.47 0.11 0.00 -1.71 0.00 0.00 66.02 63.96 2bs5 s SER 2 CO 0.00 -0.09 1.09 0.68 1.20 0.00 0.00 173.24 176.12 2bs5 s VAL 3 N -2.50 2.79 -0.07 4.45 -7.23 -1.26 -5.04 120.40 111.54 2bs5 s VAL 3 Ca 0.32 0.26 0.02 0.00 -1.81 0.00 0.00 61.98 60.77 2bs5 s VAL 3 Cb -0.02 -2.73 0.01 0.00 0.56 0.00 0.00 36.38 34.20 2bs5 s VAL 3 CO 0.17 -0.33 -0.13 -1.58 -0.31 0.00 0.00 175.10 172.92 2bs5 s GLN 4 N -4.92 1.75 0.30 4.82 -0.44 -1.01 -5.01 119.66 115.16 2bs5 s GLN 4 Ca 0.63 -0.43 0.10 0.00 -2.50 0.00 0.00 55.36 53.16 2bs5 s GLN 4 Cb -0.18 -1.44 -0.06 0.00 -1.64 0.00 0.00 33.01 29.69 2bs5 s GLN 4 CO 0.57 0.04 -0.14 0.95 0.50 0.00 0.00 175.29 177.20 2bs5 s THR 5 N 0.64 2.29 -0.08 -0.34 -4.23 -1.26 -0.71 115.64 111.95 2bs5 s THR 5 Ca -0.15 -2.29 -0.07 0.00 -1.18 0.00 0.00 61.69 57.99 2bs5 s THR 5 Cb -0.16 -2.45 0.02 0.00 1.34 0.00 0.00 72.50 71.25 2bs5 s THR 5 CO 0.04 -0.32 0.22 0.00 -0.54 0.00 0.00 174.62 174.02 2bs5 s ALA 6 N -2.60 -0.53 0.06 3.99 0.00 -0.86 -4.96 121.76 116.86 2bs5 s ALA 6 Ca 0.31 0.61 0.02 0.00 0.00 0.00 0.00 51.96 52.90 2bs5 s ALA 6 Cb -0.01 -0.35 -0.03 0.00 0.00 0.00 0.00 23.12 22.73 2bs5 s ALA 6 CO 0.15 -0.10 -0.08 0.00 0.00 0.00 0.00 175.76 175.73 2bs5 s ALA 7 N 0.12 0.73 0.13 0.00 0.00 -1.26 -1.22 121.76 120.26 2bs5 s ALA 7 Ca -0.00 -0.97 -0.14 0.00 0.00 0.00 0.00 51.96 50.84 2bs5 s ALA 7 Cb -0.02 0.08 0.02 0.00 0.00 0.00 0.00 23.12 23.21 2bs5 s ALA 7 CO 0.00 -0.09 0.37 -0.08 0.00 0.00 0.00 175.76 175.96 2bs5 s THR 8 N -2.15 0.08 0.07 0.00 -1.32 -0.89 -4.85 115.64 106.57 2bs5 s THR 8 Ca -0.02 -0.77 -0.23 0.00 -1.21 0.00 0.00 61.69 59.46 2bs5 s THR 8 Cb -0.05 -1.31 0.06 0.00 -1.51 0.00 0.00 72.50 69.69 2bs5 s THR 8 CO -0.01 -0.34 0.54 -0.94 -2.21 0.00 0.00 174.62 171.65 2bs5 s SER 9 N -2.84 -0.47 0.06 8.08 1.04 -1.26 -1.33 113.70 116.99 2bs5 s SER 9 Ca 0.05 0.14 -0.16 0.00 0.48 0.00 0.00 55.95 56.47 2bs5 s SER 9 Cb 0.02 0.52 0.03 0.00 0.10 0.00 0.00 66.02 66.69 2bs5 s SER 9 CO -0.10 -0.77 0.36 -1.66 0.98 0.00 0.00 173.24 172.05 2bs5 s TRP 10 N -2.73 -0.17 0.02 5.02 -2.14 -0.31 -4.99 118.94 113.63 2bs5 s TRP 10 Ca -0.04 0.02 0.00 0.00 2.66 0.00 0.00 56.10 58.75 2bs5 s TRP 10 Cb -0.00 0.17 0.00 0.00 -3.10 0.00 0.00 33.47 30.53 2bs5 s TRP 10 CO -0.04 -0.57 0.00 0.41 -2.66 0.00 0.00 176.95 174.09 2bs5 n GLY 11 N 0.36 -1.88 0.08 3.67 0.00 -1.26 -1.30 105.19 104.86 2bs5 n GLY 11 Ca -0.18 -1.34 -0.08 0.00 0.00 0.00 0.00 46.02 44.42 2bs5 n GLY 11 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 2bs5 n THR 12 N -0.74 1.60 -0.02 2.61 -2.24 -1.26 -4.37 114.28 109.87 2bs5 n THR 12 Ca 0.00 -0.79 -0.14 0.00 -2.27 0.00 0.00 64.05 60.85 2bs5 n THR 12 Cb 0.03 -1.04 -0.08 0.00 -2.10 0.00 0.00 70.33 67.14 2bs5 n THR 12 CO 0.00 0.00 0.00 0.58 -0.57 0.00 0.00 175.07 175.08 2bs5 h VAL 13 N 0.00 0.05 -2.71 2.28 2.07 -1.98 -3.48 116.25 112.49 2bs5 h VAL 13 Ca -0.28 0.00 -0.45 0.00 0.82 0.00 0.00 66.70 66.79 2bs5 h VAL 13 Cb 2.00 0.05 0.06 0.00 -1.52 0.00 0.00 31.29 31.89 2bs5 h VAL 13 CO 0.08 0.00 0.06 -2.16 0.02 0.00 0.00 177.57 175.57 2bs5 s PRO 14 N -5.78 2.24 0.09 1.57 0.04 -1.26 -4.93 135.00 126.98 2bs5 s PRO 14 Ca -0.15 -0.74 -0.17 0.00 0.04 0.00 0.00 61.00 59.97 2bs5 s PRO 14 Cb 0.08 -2.38 -0.07 0.00 0.04 0.00 0.00 34.50 32.18 2bs5 s PRO 14 CO 0.62 -1.02 0.54 -1.12 0.04 0.00 0.00 177.00 176.07 2bs5 s SER 15 N -4.52 6.95 0.03 6.66 0.01 -0.42 -4.23 113.70 118.18 2bs5 s SER 15 Ca 0.60 1.16 0.04 0.00 1.31 0.00 0.00 55.95 59.07 2bs5 s SER 15 Cb -0.09 -2.32 -0.02 0.00 0.21 0.00 0.00 66.02 63.80 2bs5 s SER 15 CO 0.41 0.23 -0.13 -0.63 0.41 0.00 0.00 173.24 173.53 2bs5 s ILE 16 N -1.22 1.04 -0.02 1.44 1.01 -0.45 -1.17 121.20 121.82 2bs5 s ILE 16 Ca 0.31 -0.87 0.06 0.00 0.00 0.00 0.00 60.65 60.15 2bs5 s ILE 16 Cb -0.18 -0.93 -0.01 0.00 0.01 0.00 0.00 42.46 41.35 2bs5 s ILE 16 CO 0.18 0.06 -0.19 -0.13 0.00 0.00 0.00 174.94 174.86 2bs5 s ARG 17 N -0.92 1.69 -0.15 2.79 1.81 -0.44 -1.28 118.95 122.45 2bs5 s ARG 17 Ca 0.02 -0.69 -0.01 0.00 -1.72 0.00 0.00 55.73 53.33 2bs5 s ARG 17 Cb -0.07 -1.57 0.04 0.00 -0.45 0.00 0.00 34.95 32.90 2bs5 s ARG 17 CO 0.01 0.37 -0.01 0.08 -0.68 0.00 0.00 175.30 175.07 2bs5 s VAL 18 N -0.31 0.72 -0.13 3.52 1.01 -0.51 -2.10 120.40 122.60 2bs5 s VAL 18 Ca 0.04 -0.40 -0.06 0.00 0.00 0.00 0.00 61.98 61.56 2bs5 s VAL 18 Cb -0.09 -1.00 -0.04 0.00 0.00 0.00 0.00 36.38 35.25 2bs5 s VAL 18 CO 0.00 0.06 0.09 -0.31 0.00 0.00 0.00 175.10 174.94 2bs5 s TYR 19 N 1.80 3.40 -0.14 5.22 2.02 -0.36 -1.27 117.35 128.02 2bs5 s TYR 19 Ca 0.01 0.34 -0.00 0.00 -0.37 0.00 0.00 57.07 57.05 2bs5 s TYR 19 Cb -0.15 -1.95 0.03 0.00 -0.40 0.00 0.00 41.96 39.49 2bs5 s TYR 19 CO -0.07 0.51 -0.06 0.99 -1.57 0.00 0.00 175.55 175.35 2bs5 s THR 20 N -0.58 1.08 -0.27 -0.71 2.01 -0.39 -2.02 115.64 114.76 2bs5 s THR 20 Ca 0.12 -0.49 -0.24 0.00 0.31 0.00 0.00 61.69 61.38 2bs5 s THR 20 Cb -0.12 -1.19 -0.00 0.00 0.01 0.00 0.00 72.50 71.20 2bs5 s THR 20 CO 0.02 0.22 0.83 0.00 -0.69 0.00 0.00 174.62 175.01 2bs5 s ALA 21 N 1.66 3.60 -0.15 7.40 0.00 0.12 -1.43 121.76 132.96 2bs5 s ALA 21 Ca 0.02 -0.23 -0.06 0.00 0.00 0.00 0.00 51.96 51.70 2bs5 s ALA 21 Cb -0.14 -3.31 0.07 0.00 0.00 0.00 0.00 23.12 19.73 2bs5 s ALA 21 CO -0.08 -1.05 0.32 1.21 0.00 0.00 0.00 175.76 176.16 2bs5 s ASN 22 N 1.45 -0.02 -1.42 0.00 2.47 0.06 -2.41 114.94 115.08 2bs5 s ASN 22 Ca 0.35 0.73 -0.01 0.00 0.42 0.00 0.00 52.86 54.35 2bs5 s ASN 22 Cb -0.15 0.85 0.00 0.00 -1.45 0.00 0.00 41.25 40.50 2bs5 s ASN 22 CO 0.10 -0.22 0.37 -3.20 -3.72 0.00 0.00 177.10 170.43 2bs5 n ASN 23 N 5.06 -0.26 0.00 -4.21 5.15 -1.26 -1.77 115.26 117.96 2bs5 n ASN 23 Ca -0.12 -1.04 0.00 0.00 -0.60 0.00 0.00 54.58 52.82 2bs5 n ASN 23 Cb 0.51 -2.86 0.00 0.00 -0.53 0.00 0.00 39.78 36.89 2bs5 n ASN 23 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 2bs5 n GLY 24 N -2.06 0.78 3.14 8.20 0.00 -1.26 -5.02 105.19 108.99 2bs5 n GLY 24 Ca -0.31 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.48 2bs5 n GLY 24 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 2bs5 s LYS 25 N -0.13 1.27 -0.19 1.61 2.20 -0.73 -0.52 119.74 123.25 2bs5 s LYS 25 Ca 0.00 -0.60 -0.03 0.00 -0.36 0.00 0.00 55.97 54.98 2bs5 s LYS 25 Cb 0.00 -1.24 -0.01 0.00 -1.51 0.00 0.00 37.83 35.07 2bs5 s LYS 25 CO 0.00 0.34 -0.06 0.42 -0.36 0.00 0.00 175.35 175.68 2bs5 s ILE 26 N -0.42 3.34 0.47 5.43 1.01 0.07 -0.76 121.20 130.33 2bs5 s ILE 26 Ca 0.06 -0.52 0.04 0.00 0.00 0.00 0.00 60.65 60.23 2bs5 s ILE 26 Cb -0.06 -2.49 -0.04 0.00 0.01 0.00 0.00 42.46 39.88 2bs5 s ILE 26 CO -0.00 0.45 0.03 0.42 0.00 0.00 0.00 174.94 175.84 2bs5 s THR 27 N 1.13 1.56 -0.01 2.92 -4.23 -0.51 -2.61 115.64 113.88 2bs5 s THR 27 Ca 0.01 -1.96 0.01 0.00 -1.18 0.00 0.00 61.69 58.58 2bs5 s THR 27 Cb -0.15 -2.52 0.01 0.00 1.34 0.00 0.00 72.50 71.18 2bs5 s THR 27 CO -0.01 0.00 -0.03 -0.70 -0.54 0.00 0.00 174.62 173.33 2bs5 s GLU 28 N -3.84 0.41 -0.03 3.99 2.12 -1.23 -1.26 118.70 118.87 2bs5 s GLU 28 Ca 0.20 -0.10 0.07 0.00 0.36 0.00 0.00 54.97 55.49 2bs5 s GLU 28 Cb 0.05 -0.44 -0.02 0.00 0.26 0.00 0.00 34.13 33.98 2bs5 s GLU 28 CO 0.10 0.02 -0.24 1.03 -0.54 0.00 0.00 175.26 175.64 2bs5 s ARG 29 N 0.27 2.07 0.03 4.30 1.81 -0.39 -1.20 118.95 125.84 2bs5 s ARG 29 Ca -0.03 -0.85 0.06 0.00 -1.72 0.00 0.00 55.73 53.20 2bs5 s ARG 29 Cb -0.06 -1.92 -0.02 0.00 -0.45 0.00 0.00 34.95 32.50 2bs5 s ARG 29 CO -0.00 0.46 -0.18 0.00 -0.68 0.00 0.00 175.30 174.90 2bs5 s TRP 31 N -0.69 1.88 -0.18 0.00 -0.11 -0.41 -0.95 118.94 118.49 2bs5 s TRP 31 Ca 0.05 -0.86 0.13 0.00 1.22 0.00 0.00 56.10 56.65 2bs5 s TRP 31 Cb -0.08 -1.36 0.38 0.00 -1.50 0.00 0.00 33.47 30.91 2bs5 s TRP 31 CO 0.01 -0.45 1.20 -0.25 -4.62 0.00 0.00 176.95 172.84 2bs5 n ASP 32 N 4.16 1.78 0.00 5.86 8.00 -1.26 -1.35 116.55 133.74 2bs5 n ASP 32 Ca -0.19 -3.58 0.00 0.00 0.71 0.00 0.00 54.79 51.73 2bs5 n ASP 32 Cb 0.51 -0.49 0.00 0.00 -0.02 0.00 0.00 41.12 41.12 2bs5 n ASP 32 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 2bs5 n GLY 33 N -1.07 0.51 2.36 0.44 0.00 -1.26 -4.90 105.19 101.26 2bs5 n GLY 33 Ca 0.17 0.00 0.01 0.00 0.00 0.00 0.00 46.02 46.20 2bs5 n GLY 33 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 2bs5 n LYS 34 N -2.00 1.12 0.00 1.61 4.76 -1.26 -5.10 118.16 117.28 2bs5 n LYS 34 Ca 0.00 -2.81 0.00 0.00 -2.87 0.00 0.00 58.31 52.63 2bs5 n LYS 34 Cb 0.00 -0.91 0.00 0.00 -1.84 0.00 0.00 35.03 32.28 2bs5 n LYS 34 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 2bs5 n GLY 35 N -0.31 2.84 3.76 0.72 0.00 -1.26 -5.02 105.19 105.92 2bs5 n GLY 35 Ca 0.04 -1.66 -0.40 0.00 0.00 0.00 0.00 46.02 44.00 2bs5 n GLY 35 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 2bs5 s TRP 36 N -1.55 3.39 0.07 1.61 0.52 -1.26 -4.38 118.94 117.35 2bs5 s TRP 36 Ca 0.00 1.62 -0.07 0.00 0.02 0.00 0.00 56.10 57.67 2bs5 s TRP 36 Cb 0.00 -3.38 -0.01 0.00 -1.15 0.00 0.00 33.47 28.93 2bs5 s TRP 36 CO 0.00 -0.93 0.13 1.52 0.02 0.00 0.00 176.95 177.69 2bs5 s TYR 37 N -1.21 0.23 -0.24 -1.98 -0.85 -0.12 -4.95 117.35 108.23 2bs5 s TYR 37 Ca 0.47 -0.66 -0.21 0.00 -0.52 0.00 0.00 57.07 56.15 2bs5 s TYR 37 Cb -0.33 -0.14 -0.02 0.00 0.38 0.00 0.00 41.96 41.85 2bs5 s TYR 37 CO 0.43 -0.48 0.67 0.99 -1.52 0.00 0.00 175.55 175.64 2bs5 s THR 38 N -3.62 4.96 0.76 -3.49 2.01 -1.26 0.46 115.64 115.46 2bs5 s THR 38 Ca 0.03 1.23 -0.05 0.00 0.31 0.00 0.00 61.69 63.21 2bs5 s THR 38 Cb 0.04 -3.97 0.13 0.00 0.01 0.00 0.00 72.50 68.71 2bs5 s THR 38 CO -0.09 0.02 1.06 -0.83 -0.69 0.00 0.00 174.62 174.09 2bs5 s GLY 39 N 1.40 1.76 0.52 4.40 0.00 -0.34 -4.94 107.32 110.12 2bs5 s GLY 39 Ca 0.28 -1.48 0.31 0.00 0.00 0.00 0.00 44.72 43.83 2bs5 s GLY 39 CO 0.09 -0.90 1.94 0.00 0.00 0.00 0.00 173.10 174.22 2bs5 h ALA 40 N -0.76 1.02 -2.33 3.20 0.00 -1.96 -3.44 119.26 114.99 2bs5 h ALA 40 Ca -0.40 -0.06 -0.55 0.00 0.00 0.00 0.00 54.91 53.91 2bs5 h ALA 40 Cb 1.27 -0.01 -0.01 0.00 0.00 0.00 0.00 17.79 19.04 2bs5 h ALA 40 CO 0.43 0.09 0.90 0.12 0.00 0.00 0.00 179.25 180.78 2bs5 s PHE 41 N -3.68 2.67 -0.34 0.00 5.36 -1.26 -4.97 117.98 115.76 2bs5 s PHE 41 Ca 0.01 0.70 0.05 0.00 -0.96 0.00 0.00 56.93 56.73 2bs5 s PHE 41 Cb 0.09 -3.71 0.17 0.00 -0.34 0.00 0.00 43.02 39.24 2bs5 s PHE 41 CO 0.57 -2.69 0.50 1.21 -1.46 0.00 0.00 175.22 173.35 2bs5 s ASN 42 N 2.19 -0.42 0.04 6.13 3.84 -1.26 -3.53 114.94 121.94 2bs5 s ASN 42 Ca 0.65 -0.61 -0.02 0.00 0.21 0.00 0.00 52.86 53.09 2bs5 s ASN 42 Cb -0.31 1.43 -0.03 0.00 -0.55 0.00 0.00 41.25 41.80 2bs5 s ASN 42 CO 0.26 -0.27 0.01 -1.61 -2.79 0.00 0.00 177.10 172.69 2bs5 s GLU 43 N 2.20 0.56 0.53 0.43 0.41 -1.07 -5.01 118.70 116.75 2bs5 s GLU 43 Ca 0.13 -0.99 -0.21 0.00 -0.41 0.00 0.00 54.97 53.49 2bs5 s GLU 43 Cb -0.10 0.20 -0.05 0.00 -1.78 0.00 0.00 34.13 32.40 2bs5 s GLU 43 CO -0.18 -0.11 1.23 -1.25 -0.49 0.00 0.00 175.26 174.46 2bs5 s PRO 44 N -3.15 3.31 0.00 0.39 0.04 -1.26 -0.75 135.00 133.58 2bs5 s PRO 44 Ca -0.00 1.92 0.00 0.00 0.04 0.00 0.00 61.00 62.96 2bs5 s PRO 44 Cb 0.02 -2.19 0.00 0.00 0.04 0.00 0.00 34.50 32.37 2bs5 s PRO 44 CO -0.07 -0.96 0.00 0.41 0.04 0.00 0.00 177.00 176.42 2bs5 n GLY 45 N 0.54 2.50 0.07 0.56 0.00 0.32 -4.71 105.19 104.46 2bs5 n GLY 45 Ca 0.10 -0.23 -0.01 0.00 0.00 0.00 0.00 46.02 45.89 2bs5 n GLY 45 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 2bs5 n ASP 46 N 0.00 0.32 -4.22 1.61 8.00 0.42 -2.58 116.55 120.09 2bs5 n ASP 46 Ca 0.00 0.14 -0.21 0.00 0.71 0.00 0.00 54.79 55.43 2bs5 n ASP 46 Cb 0.00 0.95 -0.12 0.00 -0.02 0.00 0.00 41.12 41.93 2bs5 n ASP 46 CO 0.00 0.00 0.00 0.21 -0.39 0.00 0.00 177.20 177.02 2bs5 s ASN 47 N -5.34 2.06 -0.02 -2.24 3.84 -0.81 -4.83 114.94 107.61 2bs5 s ASN 47 Ca -0.07 -0.66 -0.01 0.00 0.21 0.00 0.00 52.86 52.33 2bs5 s ASN 47 Cb 0.09 -0.09 0.00 0.00 -0.55 0.00 0.00 41.25 40.71 2bs5 s ASN 47 CO 0.84 -0.03 0.04 0.54 -2.79 0.00 0.00 177.10 175.71 2bs5 s VAL 48 N -1.30 -0.00 0.14 -5.21 0.11 -1.26 -1.41 120.40 111.48 2bs5 s VAL 48 Ca 0.02 0.00 -0.00 0.00 -2.93 0.00 0.00 61.98 59.07 2bs5 s VAL 48 Cb -0.10 -0.07 -0.04 0.00 -1.53 0.00 0.00 36.38 34.64 2bs5 s VAL 48 CO 0.03 0.00 0.04 -0.94 -3.33 0.00 0.00 175.10 170.90 2bs5 s SER 49 N 0.03 0.56 -0.00 3.54 1.04 -0.27 -4.60 113.70 114.00 2bs5 s SER 49 Ca -0.00 -1.20 -0.18 0.00 0.48 0.00 0.00 55.95 55.05 2bs5 s SER 49 Cb -0.00 0.25 0.03 0.00 0.10 0.00 0.00 66.02 66.39 2bs5 s SER 49 CO 0.00 -0.69 0.39 0.54 0.98 0.00 0.00 173.24 174.46 2bs5 s VAL 50 N -3.94 0.05 0.14 5.02 0.11 -1.26 -0.46 120.40 120.06 2bs5 s VAL 50 Ca 0.24 -0.42 -0.08 0.00 -2.93 0.00 0.00 61.98 58.79 2bs5 s VAL 50 Cb 0.07 -0.78 -0.01 0.00 -1.53 0.00 0.00 36.38 34.13 2bs5 s VAL 50 CO 0.02 -0.23 0.24 0.28 -3.33 0.00 0.00 175.10 172.09 2bs5 s THR 51 N -1.68 0.09 0.10 5.04 -1.32 -0.72 -4.87 115.64 112.27 2bs5 s THR 51 Ca -0.11 -1.37 -0.21 0.00 -1.21 0.00 0.00 61.69 58.79 2bs5 s THR 51 Cb -0.03 -1.72 0.05 0.00 -1.51 0.00 0.00 72.50 69.29 2bs5 s THR 51 CO 0.03 -0.40 0.52 -0.94 -2.21 0.00 0.00 174.62 171.62 2bs5 s SER 52 N -2.95 -0.43 0.04 8.08 1.04 -1.26 -0.86 113.70 117.36 2bs5 s SER 52 Ca 0.14 0.01 -0.17 0.00 0.48 0.00 0.00 55.95 56.42 2bs5 s SER 52 Cb 0.04 0.52 0.03 0.00 0.10 0.00 0.00 66.02 66.71 2bs5 s SER 52 CO -0.03 -0.82 0.37 -1.66 0.98 0.00 0.00 173.24 172.08 2bs5 s TRP 53 N -3.14 -0.21 -0.11 5.02 -2.14 0.24 -5.01 118.94 113.61 2bs5 s TRP 53 Ca -0.02 0.13 -0.03 0.00 2.66 0.00 0.00 56.10 58.84 2bs5 s TRP 53 Cb -0.00 0.17 -0.03 0.00 -3.10 0.00 0.00 33.47 30.51 2bs5 s TRP 53 CO -0.07 -0.55 0.03 -0.51 -2.66 0.00 0.00 176.95 173.19 2bs5 s LEU 54 N -2.02 3.73 -0.33 -4.66 1.43 -1.26 -0.49 118.68 115.07 2bs5 s LEU 54 Ca -0.05 0.18 0.04 0.00 -1.03 0.00 0.00 54.13 53.26 2bs5 s LEU 54 Cb -0.01 -1.88 0.09 0.00 0.03 0.00 0.00 46.19 44.43 2bs5 s LEU 54 CO -0.03 0.35 0.03 -0.69 0.23 0.00 0.00 176.35 176.24 2bs5 s VAL 55 N -0.70 2.30 0.00 -1.59 1.01 0.41 -4.98 120.40 116.85 2bs5 s VAL 55 Ca 0.11 -2.24 0.00 0.00 0.00 0.00 0.00 61.98 59.86 2bs5 s VAL 55 Cb -0.12 -2.65 0.00 0.00 0.00 0.00 0.00 36.38 33.61 2bs5 s VAL 55 CO 0.02 -0.52 0.00 0.61 0.00 0.00 0.00 175.10 175.21 2bs5 n GLY 56 N 4.29 3.34 0.58 4.51 0.00 -1.26 -1.24 105.19 115.40 2bs5 n GLY 56 Ca 0.01 -0.13 0.13 0.00 0.00 0.00 0.00 46.02 46.03 2bs5 n GLY 56 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 2bs5 n SER 57 N 6.27 1.81 -4.71 1.61 3.41 -1.26 -4.93 113.62 115.82 2bs5 n SER 57 Ca 0.00 -1.61 -0.40 0.00 -0.26 0.00 0.00 58.87 56.60 2bs5 n SER 57 Cb 0.00 -0.01 -0.05 0.00 -0.26 0.00 0.00 64.21 63.90 2bs5 n SER 57 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2bs5 s ALA 58 N -1.98 3.35 -0.09 7.33 0.00 -0.37 -5.06 121.76 124.93 2bs5 s ALA 58 Ca 0.36 0.13 -0.16 0.00 0.00 0.00 0.00 51.96 52.28 2bs5 s ALA 58 Cb 0.21 -3.01 -0.05 0.00 0.00 0.00 0.00 23.12 20.27 2bs5 s ALA 58 CO 0.32 -0.19 0.42 -1.50 0.00 0.00 0.00 175.76 174.81 2bs5 s ILE 59 N 1.02 5.17 -0.18 0.00 1.10 -1.26 -0.45 121.20 126.59 2bs5 s ILE 59 Ca 0.38 0.85 -0.01 0.00 -0.51 0.00 0.00 60.65 61.36 2bs5 s ILE 59 Cb -0.18 -3.75 0.00 0.00 0.15 0.00 0.00 42.46 38.68 2bs5 s ILE 59 CO 0.18 0.41 -0.12 -1.00 -2.11 0.00 0.00 174.94 172.29 2bs5 s HIS 60 N 0.14 2.85 -0.02 3.50 3.76 0.36 -4.23 115.29 121.65 2bs5 s HIS 60 Ca 0.23 -1.12 0.05 0.00 -0.15 0.00 0.00 55.06 54.08 2bs5 s HIS 60 Cb -0.15 -1.97 -0.03 0.00 1.11 0.00 0.00 32.58 31.54 2bs5 s HIS 60 CO 0.10 -0.56 -0.17 0.42 -0.85 0.00 0.00 174.74 173.68 2bs5 s ILE 61 N 1.13 2.85 -0.11 0.60 1.01 -0.73 -0.59 121.20 125.36 2bs5 s ILE 61 Ca 0.01 -0.92 0.02 0.00 0.00 0.00 0.00 60.65 59.76 2bs5 s ILE 61 Cb -0.14 -2.13 0.01 0.00 0.01 0.00 0.00 42.46 40.21 2bs5 s ILE 61 CO -0.04 0.51 -0.17 -0.13 0.00 0.00 0.00 174.94 175.11 2bs5 s ARG 62 N -0.94 2.43 -0.17 2.79 1.81 -0.04 -1.13 118.95 123.69 2bs5 s ARG 62 Ca 0.12 -0.65 -0.01 0.00 -1.72 0.00 0.00 55.73 53.48 2bs5 s ARG 62 Cb -0.10 -1.99 -0.00 0.00 -0.45 0.00 0.00 34.95 32.40 2bs5 s ARG 62 CO 0.02 -0.00 -0.13 0.08 -0.68 0.00 0.00 175.30 174.58 2bs5 s VAL 63 N 0.81 2.78 -0.35 3.52 1.01 -0.28 -1.76 120.40 126.13 2bs5 s VAL 63 Ca -0.10 -0.72 -0.13 0.00 0.00 0.00 0.00 61.98 61.04 2bs5 s VAL 63 Cb -0.16 -2.20 -0.01 0.00 0.00 0.00 0.00 36.38 34.02 2bs5 s VAL 63 CO 0.01 0.50 0.23 -0.31 0.00 0.00 0.00 175.10 175.53 2bs5 s TYR 64 N 1.03 3.22 -0.14 5.22 2.02 0.39 -0.68 117.35 128.40 2bs5 s TYR 64 Ca -0.01 -0.38 -0.02 0.00 -0.37 0.00 0.00 57.07 56.29 2bs5 s TYR 64 Cb -0.15 -2.47 -0.02 0.00 -0.40 0.00 0.00 41.96 38.92 2bs5 s TYR 64 CO -0.03 -0.43 -0.08 0.00 -1.57 0.00 0.00 175.55 173.44 2bs5 s ALA 65 N 1.69 2.82 -0.06 3.71 0.00 -0.11 -1.11 121.76 128.69 2bs5 s ALA 65 Ca 0.05 -0.85 0.05 0.00 0.00 0.00 0.00 51.96 51.21 2bs5 s ALA 65 Cb -0.18 -1.38 -0.00 0.00 0.00 0.00 0.00 23.12 21.56 2bs5 s ALA 65 CO 0.09 0.25 -0.21 -1.12 0.00 0.00 0.00 175.76 174.77 2bs5 s SER 66 N 0.31 2.66 -0.11 0.00 0.01 -0.50 -1.36 113.70 114.72 2bs5 s SER 66 Ca -0.07 -0.45 0.00 0.00 1.31 0.00 0.00 55.95 56.74 2bs5 s SER 66 Cb -0.15 -0.87 0.02 0.00 0.21 0.00 0.00 66.02 65.23 2bs5 s SER 66 CO 0.04 0.18 -0.10 -0.89 0.41 0.00 0.00 173.24 172.88 2bs5 s THR 67 N 0.07 1.19 0.00 1.44 2.01 -0.71 -0.43 115.64 119.21 2bs5 s THR 67 Ca -0.08 -0.42 0.00 0.00 0.31 0.00 0.00 61.69 61.50 2bs5 s THR 67 Cb -0.14 -1.15 0.00 0.00 0.01 0.00 0.00 72.50 71.22 2bs5 s THR 67 CO 0.04 0.39 0.00 0.61 -0.69 0.00 0.00 174.62 174.97 2bs5 n GLY 68 N 4.60 3.96 1.24 4.40 0.00 -1.26 -1.69 105.19 116.44 2bs5 n GLY 68 Ca -0.16 0.04 0.11 0.00 0.00 0.00 0.00 46.02 46.01 2bs5 n GLY 68 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 2bs5 n THR 69 N 0.00 0.82 -3.89 2.61 -2.24 -1.26 -4.93 114.28 105.38 2bs5 n THR 69 Ca 0.00 -0.88 -0.36 0.00 -2.27 0.00 0.00 64.05 60.54 2bs5 n THR 69 Cb 0.00 0.58 -0.12 0.00 -2.10 0.00 0.00 70.33 68.69 2bs5 n THR 69 CO 0.00 0.00 0.00 -0.89 -0.57 0.00 0.00 175.07 173.61 2bs5 s THR 70 N -1.18 4.16 -0.14 4.28 2.01 -0.68 -4.36 115.64 119.73 2bs5 s THR 70 Ca 0.45 -0.23 -0.04 0.00 0.31 0.00 0.00 61.69 62.17 2bs5 s THR 70 Cb 0.24 -2.92 -0.03 0.00 0.01 0.00 0.00 72.50 69.80 2bs5 s THR 70 CO 0.32 0.38 0.00 -0.89 -0.69 0.00 0.00 174.62 173.74 2bs5 s THR 71 N 1.30 4.26 -0.11 -0.82 2.01 -1.26 -1.73 115.64 119.29 2bs5 s THR 71 Ca 0.04 -0.24 0.03 0.00 0.31 0.00 0.00 61.69 61.84 2bs5 s THR 71 Cb -0.15 -2.86 0.01 0.00 0.01 0.00 0.00 72.50 69.51 2bs5 s THR 71 CO 0.02 0.51 -0.20 -0.89 -0.69 0.00 0.00 174.62 173.38 2bs5 s THR 72 N 0.03 1.82 0.06 -0.82 2.01 -0.46 -4.80 115.64 113.48 2bs5 s THR 72 Ca 0.02 -0.86 -0.24 0.00 0.31 0.00 0.00 61.69 60.92 2bs5 s THR 72 Cb -0.13 -1.61 -0.06 0.00 0.01 0.00 0.00 72.50 70.72 2bs5 s THR 72 CO 0.02 0.51 0.74 -0.70 -0.69 0.00 0.00 174.62 174.49 2bs5 s GLU 73 N 0.64 4.47 -0.07 4.92 2.12 -1.26 -0.93 118.70 128.60 2bs5 s GLU 73 Ca -0.13 1.02 0.05 0.00 0.36 0.00 0.00 54.97 56.28 2bs5 s GLU 73 Cb -0.16 -3.34 -0.01 0.00 0.26 0.00 0.00 34.13 30.88 2bs5 s GLU 73 CO 0.03 0.36 -0.22 -1.58 -0.54 0.00 0.00 175.26 173.31 2bs5 s TRP 74 N -0.32 2.52 -0.19 5.30 0.52 0.14 -0.43 118.94 126.47 2bs5 s TRP 74 Ca 0.37 -0.66 0.01 0.00 0.02 0.00 0.00 56.10 55.83 2bs5 s TRP 74 Cb -0.21 -1.64 0.02 0.00 -1.15 0.00 0.00 33.47 30.50 2bs5 s TRP 74 CO 0.23 -0.17 -0.17 0.00 0.02 0.00 0.00 176.95 176.85 2bs5 s TRP 76 N 1.29 3.32 -0.06 0.00 -0.11 -0.29 -1.64 118.94 121.46 2bs5 s TRP 76 Ca 0.04 0.25 0.12 0.00 1.22 0.00 0.00 56.10 57.73 2bs5 s TRP 76 Cb -0.14 -2.28 0.22 0.00 -1.50 0.00 0.00 33.47 29.77 2bs5 s TRP 76 CO -0.11 0.07 1.10 -0.25 -4.62 0.00 0.00 176.95 173.14 2bs5 n ASP 77 N 4.27 1.01 0.00 5.86 8.00 -1.26 -1.77 116.55 132.67 2bs5 n ASP 77 Ca -0.15 -2.51 0.00 0.00 0.71 0.00 0.00 54.79 52.84 2bs5 n ASP 77 Cb 0.52 -0.32 0.00 0.00 -0.02 0.00 0.00 41.12 41.30 2bs5 n ASP 77 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 2bs5 n GLY 78 N -0.37 1.08 0.38 0.44 0.00 -1.26 -4.93 105.19 100.53 2bs5 n GLY 78 Ca 0.08 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.10 2bs5 n GLY 78 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 2bs5 n ASN 79 N 0.00 1.87 -3.69 1.61 4.13 -1.26 -5.14 115.26 112.78 2bs5 n ASN 79 Ca 0.00 0.00 0.02 0.00 1.68 0.00 0.00 54.58 56.28 2bs5 n ASN 79 Cb 0.00 0.00 0.01 0.00 -1.54 0.00 0.00 39.78 38.25 2bs5 n ASN 79 CO 0.00 0.00 0.00 -0.83 0.28 0.00 0.00 177.26 176.71 2bs5 s GLY 80 N -4.03 -0.23 -0.17 7.41 0.00 -1.26 -5.14 107.32 103.91 2bs5 s GLY 80 Ca 0.00 0.28 -0.22 0.00 0.00 0.00 0.00 44.72 44.77 2bs5 s GLY 80 CO 0.00 2.92 0.68 -0.98 0.00 0.00 0.00 173.10 175.73 2bs5 s TRP 81 N -2.22 3.42 0.16 1.90 0.52 -1.26 -4.03 118.94 117.44 2bs5 s TRP 81 Ca 0.22 1.06 0.08 0.00 0.02 0.00 0.00 56.10 57.48 2bs5 s TRP 81 Cb 0.02 -2.84 -0.04 0.00 -1.15 0.00 0.00 33.47 29.45 2bs5 s TRP 81 CO -0.01 -0.13 -0.17 0.95 0.02 0.00 0.00 176.95 177.60 2bs5 s THR 82 N 1.73 1.71 -0.06 2.01 -4.23 -0.65 -4.89 115.64 111.26 2bs5 s THR 82 Ca 0.32 -1.92 -0.26 0.00 -1.18 0.00 0.00 61.69 58.65 2bs5 s THR 82 Cb -0.16 -1.81 -0.03 0.00 1.34 0.00 0.00 72.50 71.84 2bs5 s THR 82 CO 0.12 -0.37 0.84 -0.75 -0.54 0.00 0.00 174.62 173.92 2bs5 s LYS 83 N -2.88 4.45 0.64 3.99 2.20 -1.26 0.43 119.74 127.32 2bs5 s LYS 83 Ca 0.15 1.12 -0.02 0.00 -0.36 0.00 0.00 55.97 56.86 2bs5 s LYS 83 Cb -0.05 -3.48 0.06 0.00 -1.51 0.00 0.00 37.83 32.86 2bs5 s LYS 83 CO 0.06 -0.06 0.91 0.20 -0.36 0.00 0.00 175.35 176.10 2bs5 s GLY 84 N 0.95 1.77 0.61 5.54 0.00 0.42 -4.91 107.32 111.69 2bs5 s GLY 84 Ca 0.43 -1.27 0.35 0.00 0.00 0.00 0.00 44.72 44.24 2bs5 s GLY 84 CO 0.21 -0.87 2.27 0.00 0.00 0.00 0.00 173.10 174.70 2bs5 h ALA 85 N -0.31 1.30 -1.31 3.20 0.00 -1.96 -3.43 119.26 116.74 2bs5 h ALA 85 Ca -0.42 -0.01 -0.74 0.00 0.00 0.00 0.00 54.91 53.74 2bs5 h ALA 85 Cb 1.30 -0.00 0.05 0.00 0.00 0.00 0.00 17.79 19.14 2bs5 h ALA 85 CO 0.52 0.02 0.22 0.98 0.00 0.00 0.00 179.25 180.99 2bs5 n TYR 86 N -3.53 1.01 -4.08 0.00 9.36 -1.26 -5.00 117.16 113.66 2bs5 n TYR 86 Ca -0.03 0.87 -0.11 0.00 3.32 0.00 0.00 57.90 61.96 2bs5 n TYR 86 Cb 0.10 -2.20 -0.11 0.00 -0.63 0.00 0.00 39.34 36.51 2bs5 n TYR 86 CO 0.00 0.00 0.00 0.95 0.22 0.00 0.00 176.86 178.03 2bs5 s THR 87 N 0.18 0.45 0.15 2.97 -4.23 -1.26 -4.66 115.64 109.24 2bs5 s THR 87 Ca 0.87 -1.38 -0.11 0.00 -1.18 0.00 0.00 61.69 59.89 2bs5 s THR 87 Cb -1.12 -0.96 0.00 0.00 1.34 0.00 0.00 72.50 71.76 2bs5 s THR 87 CO 0.53 -0.63 0.32 0.00 -0.54 0.00 0.00 174.62 174.30 2bs5 s ALA 88 N -2.37 -0.31 -0.58 3.99 0.00 -1.26 -5.12 121.76 116.11 2bs5 s ALA 88 Ca -0.03 -0.62 0.03 0.00 0.00 0.00 0.00 51.96 51.34 2bs5 s ALA 88 Cb -0.03 0.76 0.14 0.00 0.00 0.00 0.00 23.12 24.00 2bs5 s ALA 88 CO -0.03 -0.65 0.34 0.99 0.00 0.00 0.00 175.76 176.42 2bs5 s THR 89 N -3.91 2.86 -2.59 0.00 2.01 -1.26 -4.98 115.64 107.77 2bs5 s THR 89 Ca 0.12 -3.46 0.21 0.00 0.31 0.00 0.00 61.69 58.86 2bs5 s THR 89 Cb 0.03 -2.94 0.16 0.00 0.01 0.00 0.00 72.50 69.76 2bs5 s THR 89 CO -0.04 -0.86 1.16 0.59 -0.69 0.00 0.00 174.62 174.78