#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2bs6 s SER 2 N 0.00 0.97 1.02 4.04 1.04 -1.26 -5.14 113.70 114.37 2bs6 s SER 2 Ca 0.00 -1.17 -0.12 0.00 0.48 0.00 0.00 55.95 55.14 2bs6 s SER 2 Cb 0.00 0.16 0.20 0.00 0.10 0.00 0.00 66.02 66.49 2bs6 s SER 2 CO 0.00 -0.61 1.08 0.68 0.98 0.00 0.00 173.24 175.38 2bs6 s VAL 3 N -3.76 2.18 -0.07 5.02 -7.23 -1.26 -5.02 120.40 110.26 2bs6 s VAL 3 Ca 0.23 0.06 0.01 0.00 -1.81 0.00 0.00 61.98 60.47 2bs6 s VAL 3 Cb 0.06 -2.20 0.02 0.00 0.56 0.00 0.00 36.38 34.83 2bs6 s VAL 3 CO 0.03 -0.08 -0.09 -1.58 -0.31 0.00 0.00 175.10 173.07 2bs6 s GLN 4 N -4.63 1.46 0.33 4.82 -0.44 -0.72 -4.99 119.66 115.49 2bs6 s GLN 4 Ca 0.67 -0.30 0.09 0.00 -2.50 0.00 0.00 55.36 53.32 2bs6 s GLN 4 Cb -0.23 -1.33 -0.05 0.00 -1.64 0.00 0.00 33.01 29.76 2bs6 s GLN 4 CO 0.61 -0.07 -0.03 0.95 0.50 0.00 0.00 175.29 177.24 2bs6 s THR 5 N 0.99 2.60 -0.00 -0.34 -4.23 -1.26 -0.36 115.64 113.04 2bs6 s THR 5 Ca -0.09 -2.06 -0.08 0.00 -1.18 0.00 0.00 61.69 58.28 2bs6 s THR 5 Cb -0.15 -2.72 0.00 0.00 1.34 0.00 0.00 72.50 70.98 2bs6 s THR 5 CO 0.00 -0.23 0.16 0.00 -0.54 0.00 0.00 174.62 174.00 2bs6 s ALA 6 N -2.52 -0.38 0.02 3.99 0.00 -0.39 -4.98 121.76 117.51 2bs6 s ALA 6 Ca 0.34 -0.05 -0.02 0.00 0.00 0.00 0.00 51.96 52.23 2bs6 s ALA 6 Cb -0.01 0.08 -0.01 0.00 0.00 0.00 0.00 23.12 23.18 2bs6 s ALA 6 CO 0.18 -0.21 0.01 0.00 0.00 0.00 0.00 175.76 175.75 2bs6 s ALA 7 N -1.29 0.01 0.05 0.00 0.00 -1.26 -0.53 121.76 118.74 2bs6 s ALA 7 Ca -0.14 -0.46 -0.04 0.00 0.00 0.00 0.00 51.96 51.32 2bs6 s ALA 7 Cb -0.07 0.13 -0.02 0.00 0.00 0.00 0.00 23.12 23.16 2bs6 s ALA 7 CO 0.02 -0.17 0.05 -0.08 0.00 0.00 0.00 175.76 175.58 2bs6 s THR 8 N -1.40 0.17 0.06 0.00 -1.32 -0.54 -4.88 115.64 107.73 2bs6 s THR 8 Ca -0.15 -1.40 -0.14 0.00 -1.21 0.00 0.00 61.69 58.79 2bs6 s THR 8 Cb -0.09 -1.20 0.02 0.00 -1.51 0.00 0.00 72.50 69.72 2bs6 s THR 8 CO -0.00 -0.77 0.31 -0.94 -2.21 0.00 0.00 174.62 171.01 2bs6 s SER 9 N -2.56 -0.13 0.09 8.08 1.04 -1.26 -0.87 113.70 118.10 2bs6 s SER 9 Ca 0.01 -0.24 -0.11 0.00 0.48 0.00 0.00 55.95 56.09 2bs6 s SER 9 Cb 0.03 0.38 0.01 0.00 0.10 0.00 0.00 66.02 66.54 2bs6 s SER 9 CO -0.08 -0.67 0.24 -1.66 0.98 0.00 0.00 173.24 172.06 2bs6 s TRP 10 N -2.87 0.05 0.00 5.02 -2.14 -0.21 -4.99 118.94 113.80 2bs6 s TRP 10 Ca -0.03 -0.44 0.00 0.00 2.66 0.00 0.00 56.10 58.29 2bs6 s TRP 10 Cb 0.00 0.02 0.00 0.00 -3.10 0.00 0.00 33.47 30.40 2bs6 s TRP 10 CO -0.05 -0.58 0.00 0.41 -2.66 0.00 0.00 176.95 174.07 2bs6 n GLY 11 N -0.06 -0.26 0.15 3.67 0.00 -1.26 -1.67 105.19 105.76 2bs6 n GLY 11 Ca -0.16 -1.03 0.02 0.00 0.00 0.00 0.00 46.02 44.85 2bs6 n GLY 11 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 2bs6 n THR 12 N -0.38 0.13 0.08 2.61 -2.24 -1.26 -4.70 114.28 108.53 2bs6 n THR 12 Ca 0.00 -0.57 -0.12 0.00 -2.27 0.00 0.00 64.05 61.09 2bs6 n THR 12 Cb 0.00 1.00 -0.06 0.00 -2.10 0.00 0.00 70.33 69.17 2bs6 n THR 12 CO 0.00 0.00 0.00 0.58 -0.57 0.00 0.00 175.07 175.08 2bs6 h VAL 13 N 0.71 0.76 -5.82 2.28 2.07 -1.98 -3.48 116.25 110.80 2bs6 h VAL 13 Ca 0.00 0.00 -0.43 0.00 0.82 0.00 0.00 66.70 67.09 2bs6 h VAL 13 Cb 0.21 0.76 0.05 0.00 -1.52 0.00 0.00 31.29 30.79 2bs6 h VAL 13 CO 0.00 0.00 0.03 -0.81 0.02 0.00 0.00 177.57 176.81 2bs6 n PRO 14 N -5.22 0.28 -3.71 1.57 -0.04 -1.26 -4.91 135.00 121.71 2bs6 n PRO 14 Ca -0.07 -2.65 -0.36 0.00 -0.04 0.00 0.00 63.50 60.38 2bs6 n PRO 14 Cb 0.14 -0.42 -0.06 0.00 -0.04 0.00 0.00 33.50 33.12 2bs6 n PRO 14 CO 0.00 0.00 0.00 -1.12 -0.04 0.00 0.00 175.50 174.34 2bs6 s SER 15 N -4.50 6.56 -0.01 3.54 0.01 -0.67 -3.99 113.70 114.63 2bs6 s SER 15 Ca 0.58 0.66 0.03 0.00 1.31 0.00 0.00 55.95 58.52 2bs6 s SER 15 Cb -0.04 -2.13 -0.00 0.00 0.21 0.00 0.00 66.02 64.06 2bs6 s SER 15 CO 0.38 0.30 -0.09 -0.63 0.41 0.00 0.00 173.24 173.60 2bs6 s ILE 16 N -1.19 0.77 -0.09 1.44 1.01 -0.12 -1.05 121.20 121.97 2bs6 s ILE 16 Ca 0.24 -0.40 0.03 0.00 0.00 0.00 0.00 60.65 60.52 2bs6 s ILE 16 Cb -0.14 -0.65 0.01 0.00 0.01 0.00 0.00 42.46 41.69 2bs6 s ILE 16 CO 0.13 0.22 -0.19 -0.13 0.00 0.00 0.00 174.94 174.97 2bs6 s ARG 17 N -0.12 2.48 -0.18 2.79 1.81 -0.05 -1.31 118.95 124.37 2bs6 s ARG 17 Ca 0.02 -0.68 0.01 0.00 -1.72 0.00 0.00 55.73 53.35 2bs6 s ARG 17 Cb -0.05 -1.93 0.02 0.00 -0.45 0.00 0.00 34.95 32.53 2bs6 s ARG 17 CO -0.00 0.11 -0.18 0.08 -0.68 0.00 0.00 175.30 174.62 2bs6 s VAL 18 N 0.50 2.21 -0.16 3.52 1.01 -0.06 -1.47 120.40 125.95 2bs6 s VAL 18 Ca -0.17 -0.89 -0.08 0.00 0.00 0.00 0.00 61.98 60.85 2bs6 s VAL 18 Cb -0.17 -1.93 -0.04 0.00 0.00 0.00 0.00 36.38 34.23 2bs6 s VAL 18 CO 0.06 0.53 0.10 -0.31 0.00 0.00 0.00 175.10 175.48 2bs6 s TYR 19 N 1.26 3.38 -0.14 5.22 2.02 0.31 -0.61 117.35 128.78 2bs6 s TYR 19 Ca 0.04 0.28 0.00 0.00 -0.37 0.00 0.00 57.07 57.01 2bs6 s TYR 19 Cb -0.13 -2.05 0.02 0.00 -0.40 0.00 0.00 41.96 39.40 2bs6 s TYR 19 CO -0.11 0.37 -0.12 0.99 -1.57 0.00 0.00 175.55 175.11 2bs6 s THR 20 N -0.07 1.41 -0.20 -0.71 2.01 -0.09 -1.26 115.64 116.73 2bs6 s THR 20 Ca 0.08 -0.54 -0.22 0.00 0.31 0.00 0.00 61.69 61.32 2bs6 s THR 20 Cb -0.12 -1.35 -0.02 0.00 0.01 0.00 0.00 72.50 71.02 2bs6 s THR 20 CO 0.00 0.42 0.70 0.00 -0.69 0.00 0.00 174.62 175.06 2bs6 s ALA 21 N 1.55 3.55 -0.23 7.40 0.00 0.51 -1.51 121.76 133.04 2bs6 s ALA 21 Ca 0.05 -0.19 -0.03 0.00 0.00 0.00 0.00 51.96 51.79 2bs6 s ALA 21 Cb -0.13 -3.08 0.12 0.00 0.00 0.00 0.00 23.12 20.04 2bs6 s ALA 21 CO -0.10 -0.64 0.33 1.21 0.00 0.00 0.00 175.76 176.56 2bs6 s ASN 22 N 1.22 0.64 -1.30 0.00 2.47 -0.08 -1.75 114.94 116.13 2bs6 s ASN 22 Ca 0.32 0.05 -0.06 0.00 0.42 0.00 0.00 52.86 53.59 2bs6 s ASN 22 Cb -0.16 0.87 0.01 0.00 -1.45 0.00 0.00 41.25 40.52 2bs6 s ASN 22 CO 0.10 -0.31 1.11 -3.20 -3.72 0.00 0.00 177.10 171.09 2bs6 n ASN 23 N 5.35 -4.77 0.00 -4.21 5.15 -1.26 -1.94 115.26 113.58 2bs6 n ASN 23 Ca -0.04 -0.57 0.00 0.00 -0.60 0.00 0.00 54.58 53.36 2bs6 n ASN 23 Cb 0.50 -5.05 0.00 0.00 -0.53 0.00 0.00 39.78 34.70 2bs6 n ASN 23 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 2bs6 n GLY 24 N -1.69 0.45 3.15 8.20 0.00 -1.25 -5.02 105.19 109.02 2bs6 n GLY 24 Ca -0.10 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.65 2bs6 n GLY 24 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 2bs6 s LYS 25 N -0.40 1.90 -0.20 1.61 2.20 -0.82 -0.43 119.74 123.60 2bs6 s LYS 25 Ca 0.00 -0.64 -0.06 0.00 -0.36 0.00 0.00 55.97 54.91 2bs6 s LYS 25 Cb 0.00 -1.63 -0.03 0.00 -1.51 0.00 0.00 37.83 34.66 2bs6 s LYS 25 CO 0.00 0.25 0.03 0.42 -0.36 0.00 0.00 175.35 175.69 2bs6 s ILE 26 N 0.04 4.25 0.44 5.43 1.01 0.22 -0.91 121.20 131.68 2bs6 s ILE 26 Ca -0.04 -0.22 0.04 0.00 0.00 0.00 0.00 60.65 60.43 2bs6 s ILE 26 Cb -0.12 -2.92 -0.04 0.00 0.01 0.00 0.00 42.46 39.38 2bs6 s ILE 26 CO 0.03 0.43 0.03 0.42 0.00 0.00 0.00 174.94 175.84 2bs6 s THR 27 N 0.86 1.38 -0.02 2.92 -4.23 -0.57 -1.92 115.64 114.07 2bs6 s THR 27 Ca 0.02 -2.00 0.01 0.00 -1.18 0.00 0.00 61.69 58.54 2bs6 s THR 27 Cb -0.14 -2.55 0.02 0.00 1.34 0.00 0.00 72.50 71.16 2bs6 s THR 27 CO 0.02 0.00 -0.01 -0.70 -0.54 0.00 0.00 174.62 173.39 2bs6 s GLU 28 N -3.80 0.32 0.01 3.99 2.12 -1.22 -0.91 118.70 119.21 2bs6 s GLU 28 Ca 0.22 -0.00 0.06 0.00 0.36 0.00 0.00 54.97 55.61 2bs6 s GLU 28 Cb 0.06 -0.42 -0.03 0.00 0.26 0.00 0.00 34.13 34.00 2bs6 s GLU 28 CO 0.11 -0.06 -0.17 1.03 -0.54 0.00 0.00 175.26 175.63 2bs6 s ARG 29 N 0.62 2.21 0.00 4.30 1.81 0.22 -0.90 118.95 127.22 2bs6 s ARG 29 Ca -0.06 -0.89 0.03 0.00 -1.72 0.00 0.00 55.73 53.09 2bs6 s ARG 29 Cb -0.09 -2.24 -0.01 0.00 -0.45 0.00 0.00 34.95 32.16 2bs6 s ARG 29 CO -0.01 0.57 -0.10 0.00 -0.68 0.00 0.00 175.30 175.07 2bs6 s TRP 31 N -0.41 1.11 -0.14 0.00 -0.11 -0.43 -1.04 118.94 117.93 2bs6 s TRP 31 Ca 0.02 -0.45 0.15 0.00 1.22 0.00 0.00 56.10 57.04 2bs6 s TRP 31 Cb -0.05 -0.98 0.32 0.00 -1.50 0.00 0.00 33.47 31.26 2bs6 s TRP 31 CO -0.00 -0.37 1.16 -0.25 -4.62 0.00 0.00 176.95 172.87 2bs6 n ASP 32 N 4.68 1.87 0.00 5.86 8.00 -1.26 -0.94 116.55 134.75 2bs6 n ASP 32 Ca -0.15 -3.23 0.00 0.00 0.71 0.00 0.00 54.79 52.12 2bs6 n ASP 32 Cb 0.50 -0.44 0.00 0.00 -0.02 0.00 0.00 41.12 41.16 2bs6 n ASP 32 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 2bs6 n GLY 33 N -1.11 0.61 2.73 0.44 0.00 -1.26 -4.86 105.19 101.74 2bs6 n GLY 33 Ca 0.15 0.00 -0.04 0.00 0.00 0.00 0.00 46.02 46.13 2bs6 n GLY 33 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 2bs6 n LYS 34 N -1.32 1.38 0.00 1.61 4.81 -1.26 -5.11 118.16 118.27 2bs6 n LYS 34 Ca 0.00 -2.67 0.00 0.00 -0.87 0.00 0.00 58.31 54.77 2bs6 n LYS 34 Cb 0.00 -0.81 0.00 0.00 0.02 0.00 0.00 35.03 34.24 2bs6 n LYS 34 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 2bs6 n GLY 35 N -0.62 2.74 3.73 3.14 0.00 -1.26 -5.03 105.19 107.89 2bs6 n GLY 35 Ca 0.01 -1.82 -0.39 0.00 0.00 0.00 0.00 46.02 43.82 2bs6 n GLY 35 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 2bs6 s TRP 36 N -2.37 3.60 0.10 1.61 0.52 -1.26 -4.23 118.94 116.93 2bs6 s TRP 36 Ca 0.00 1.20 0.02 0.00 0.02 0.00 0.00 56.10 57.34 2bs6 s TRP 36 Cb 0.00 -2.72 -0.04 0.00 -1.15 0.00 0.00 33.47 29.56 2bs6 s TRP 36 CO 0.00 0.18 -0.06 1.52 0.02 0.00 0.00 176.95 178.60 2bs6 s TYR 37 N 0.47 0.92 -0.08 -1.98 -0.85 -0.20 -4.93 117.35 110.69 2bs6 s TYR 37 Ca 0.34 -0.91 -0.30 0.00 -0.52 0.00 0.00 57.07 55.68 2bs6 s TYR 37 Cb -0.18 -0.53 -0.02 0.00 0.38 0.00 0.00 41.96 41.62 2bs6 s TYR 37 CO 0.17 -0.14 1.02 0.99 -1.52 0.00 0.00 175.55 176.07 2bs6 s THR 38 N -3.61 4.76 0.76 -3.49 2.01 -1.26 -0.23 115.64 114.57 2bs6 s THR 38 Ca 0.13 2.01 -0.09 0.00 0.31 0.00 0.00 61.69 64.05 2bs6 s THR 38 Cb 0.05 -4.29 0.08 0.00 0.01 0.00 0.00 72.50 68.35 2bs6 s THR 38 CO -0.04 0.04 1.09 -0.83 -0.69 0.00 0.00 174.62 174.18 2bs6 s GLY 39 N 1.10 1.67 0.46 4.40 0.00 -0.08 -4.91 107.32 109.97 2bs6 s GLY 39 Ca 0.50 -0.92 0.25 0.00 0.00 0.00 0.00 44.72 44.55 2bs6 s GLY 39 CO 0.20 -0.45 1.90 0.00 0.00 0.00 0.00 173.10 174.76 2bs6 h ALA 40 N -0.82 1.10 -2.16 3.20 0.00 -1.96 -3.44 119.26 115.19 2bs6 h ALA 40 Ca -0.44 -0.19 -0.56 0.00 0.00 0.00 0.00 54.91 53.72 2bs6 h ALA 40 Cb 1.31 -0.03 -0.03 0.00 0.00 0.00 0.00 17.79 19.04 2bs6 h ALA 40 CO 0.59 0.26 1.03 0.12 0.00 0.00 0.00 179.25 181.24 2bs6 s PHE 41 N -3.82 2.34 -0.26 0.00 5.36 -1.26 -4.96 117.98 115.38 2bs6 s PHE 41 Ca -0.01 0.58 -0.02 0.00 -0.96 0.00 0.00 56.93 56.53 2bs6 s PHE 41 Cb 0.11 -3.79 0.13 0.00 -0.34 0.00 0.00 43.02 39.13 2bs6 s PHE 41 CO 0.62 -2.81 0.30 1.21 -1.46 0.00 0.00 175.22 173.09 2bs6 s ASN 42 N 3.03 1.19 0.05 6.13 3.84 -1.26 -3.40 114.94 124.52 2bs6 s ASN 42 Ca 0.66 -0.37 -0.10 0.00 0.21 0.00 0.00 52.86 53.25 2bs6 s ASN 42 Cb -0.27 0.65 0.01 0.00 -0.55 0.00 0.00 41.25 41.09 2bs6 s ASN 42 CO 0.24 -0.35 0.22 -1.61 -2.79 0.00 0.00 177.10 172.81 2bs6 s GLU 43 N 2.41 0.73 0.41 0.43 0.41 -0.81 -5.00 118.70 117.28 2bs6 s GLU 43 Ca 0.09 -0.64 -0.25 0.00 -0.41 0.00 0.00 54.97 53.77 2bs6 s GLU 43 Cb -0.15 0.31 -0.08 0.00 -1.78 0.00 0.00 34.13 32.43 2bs6 s GLU 43 CO -0.23 -0.22 1.16 -1.25 -0.49 0.00 0.00 175.26 174.23 2bs6 s PRO 44 N -2.70 4.00 0.00 0.39 0.05 -1.26 -0.61 135.00 134.87 2bs6 s PRO 44 Ca -0.04 1.81 0.00 0.00 0.05 0.00 0.00 61.00 62.82 2bs6 s PRO 44 Cb -0.00 -2.62 0.00 0.00 0.05 0.00 0.00 34.50 31.93 2bs6 s PRO 44 CO -0.05 -0.36 0.00 0.41 0.05 0.00 0.00 177.00 177.06 2bs6 n GLY 45 N 0.58 1.98 0.04 0.56 0.00 0.43 -4.73 105.19 104.05 2bs6 n GLY 45 Ca 0.05 -0.18 0.11 0.00 0.00 0.00 0.00 46.02 46.00 2bs6 n GLY 45 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 2bs6 n ASP 46 N 0.00 0.62 -3.81 1.61 8.00 0.95 -2.82 116.55 121.10 2bs6 n ASP 46 Ca 0.00 -0.15 -0.12 0.00 0.71 0.00 0.00 54.79 55.23 2bs6 n ASP 46 Cb 0.00 0.74 -0.11 0.00 -0.02 0.00 0.00 41.12 41.73 2bs6 n ASP 46 CO 0.00 0.00 0.00 0.21 -0.39 0.00 0.00 177.20 177.02 2bs6 s ASN 47 N -4.03 -0.17 -0.01 -2.24 3.84 -0.73 -4.88 114.94 106.73 2bs6 s ASN 47 Ca 0.03 0.26 0.00 0.00 0.21 0.00 0.00 52.86 53.37 2bs6 s ASN 47 Cb 0.14 0.38 0.00 0.00 -0.55 0.00 0.00 41.25 41.23 2bs6 s ASN 47 CO 0.79 -0.18 -0.01 0.54 -2.79 0.00 0.00 177.10 175.45 2bs6 s VAL 48 N -0.37 0.11 0.22 -5.21 0.11 -1.26 -0.63 120.40 113.37 2bs6 s VAL 48 Ca -0.05 -0.02 0.02 0.00 -2.93 0.00 0.00 61.98 59.00 2bs6 s VAL 48 Cb -0.03 -0.12 -0.05 0.00 -1.53 0.00 0.00 36.38 34.64 2bs6 s VAL 48 CO 0.01 0.05 0.04 -0.94 -3.33 0.00 0.00 175.10 170.93 2bs6 s SER 49 N 0.19 1.34 -0.04 3.54 1.04 -0.72 -4.58 113.70 114.47 2bs6 s SER 49 Ca -0.02 -1.26 -0.14 0.00 0.48 0.00 0.00 55.95 55.01 2bs6 s SER 49 Cb -0.03 0.11 0.03 0.00 0.10 0.00 0.00 66.02 66.22 2bs6 s SER 49 CO -0.01 -0.62 0.32 0.54 0.98 0.00 0.00 173.24 174.46 2bs6 s VAL 50 N -3.64 0.05 0.09 5.02 0.11 -1.26 -0.87 120.40 119.89 2bs6 s VAL 50 Ca 0.30 -0.38 -0.05 0.00 -2.93 0.00 0.00 61.98 58.93 2bs6 s VAL 50 Cb 0.07 -0.59 -0.02 0.00 -1.53 0.00 0.00 36.38 34.30 2bs6 s VAL 50 CO 0.09 -0.21 0.10 0.28 -3.33 0.00 0.00 175.10 172.03 2bs6 s THR 51 N -1.03 0.15 0.06 5.04 -1.32 -0.42 -4.90 115.64 113.23 2bs6 s THR 51 Ca -0.11 -1.55 -0.18 0.00 -1.21 0.00 0.00 61.69 58.64 2bs6 s THR 51 Cb -0.05 -1.59 0.04 0.00 -1.51 0.00 0.00 72.50 69.40 2bs6 s THR 51 CO 0.04 -0.69 0.42 -0.94 -2.21 0.00 0.00 174.62 171.23 2bs6 s SER 52 N -2.93 -0.29 0.01 8.08 1.04 -1.26 -0.84 113.70 117.51 2bs6 s SER 52 Ca 0.10 -0.05 -0.10 0.00 0.48 0.00 0.00 55.95 56.39 2bs6 s SER 52 Cb 0.06 0.44 0.01 0.00 0.10 0.00 0.00 66.02 66.63 2bs6 s SER 52 CO -0.07 -0.71 0.19 -1.66 0.98 0.00 0.00 173.24 171.98 2bs6 s TRP 53 N -2.74 -0.01 -0.05 5.02 -2.14 -0.39 -5.00 118.94 113.63 2bs6 s TRP 53 Ca -0.04 -0.06 -0.12 0.00 2.66 0.00 0.00 56.10 58.55 2bs6 s TRP 53 Cb -0.00 -0.01 -0.05 0.00 -3.10 0.00 0.00 33.47 30.31 2bs6 s TRP 53 CO -0.04 -0.34 0.31 -0.51 -2.66 0.00 0.00 176.95 173.71 2bs6 s LEU 54 N -1.51 4.44 -0.31 -4.66 1.43 -1.26 -0.66 118.68 116.15 2bs6 s LEU 54 Ca -0.13 0.78 0.01 0.00 -1.03 0.00 0.00 54.13 53.77 2bs6 s LEU 54 Cb -0.06 -2.40 0.08 0.00 0.03 0.00 0.00 46.19 43.84 2bs6 s LEU 54 CO 0.01 0.34 0.00 -0.69 0.23 0.00 0.00 176.35 176.25 2bs6 s VAL 55 N -0.99 2.53 0.00 -1.59 1.01 -0.46 -4.99 120.40 115.91 2bs6 s VAL 55 Ca 0.20 -1.84 0.00 0.00 0.00 0.00 0.00 61.98 60.34 2bs6 s VAL 55 Cb -0.15 -2.62 0.00 0.00 0.00 0.00 0.00 36.38 33.61 2bs6 s VAL 55 CO 0.10 -0.30 0.00 0.61 0.00 0.00 0.00 175.10 175.51 2bs6 n GLY 56 N 4.44 4.11 1.09 4.51 0.00 -1.26 -1.22 105.19 116.87 2bs6 n GLY 56 Ca -0.07 0.06 0.12 0.00 0.00 0.00 0.00 46.02 46.13 2bs6 n GLY 56 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 2bs6 n SER 57 N 7.64 3.34 -4.64 1.61 3.41 -1.26 -4.93 113.62 118.80 2bs6 n SER 57 Ca 0.00 -1.98 -0.41 0.00 -0.26 0.00 0.00 58.87 56.22 2bs6 n SER 57 Cb 0.00 -0.20 -0.05 0.00 -0.26 0.00 0.00 64.21 63.70 2bs6 n SER 57 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2bs6 s ALA 58 N -1.54 3.63 0.15 7.33 0.00 -0.35 -5.04 121.76 125.94 2bs6 s ALA 58 Ca 0.36 -0.25 -0.24 0.00 0.00 0.00 0.00 51.96 51.82 2bs6 s ALA 58 Cb 0.22 -3.18 -0.08 0.00 0.00 0.00 0.00 23.12 20.08 2bs6 s ALA 58 CO 0.30 -0.88 0.75 -1.50 0.00 0.00 0.00 175.76 174.44 2bs6 s ILE 59 N 2.70 4.42 -0.09 0.00 1.10 -1.26 -1.36 121.20 126.71 2bs6 s ILE 59 Ca 0.31 1.64 0.04 0.00 -0.51 0.00 0.00 60.65 62.13 2bs6 s ILE 59 Cb -0.15 -4.11 0.00 0.00 0.15 0.00 0.00 42.46 38.35 2bs6 s ILE 59 CO 0.08 0.53 -0.22 -1.00 -2.11 0.00 0.00 174.94 172.22 2bs6 s HIS 60 N -1.13 2.35 -0.02 3.50 3.76 0.17 -4.36 115.29 119.55 2bs6 s HIS 60 Ca 0.35 -0.93 0.07 0.00 -0.15 0.00 0.00 55.06 54.39 2bs6 s HIS 60 Cb -0.23 -1.58 -0.02 0.00 1.11 0.00 0.00 32.58 31.86 2bs6 s HIS 60 CO 0.25 -0.38 -0.22 0.42 -0.85 0.00 0.00 174.74 173.96 2bs6 s ILE 61 N 0.36 1.74 -0.13 0.60 1.01 -0.49 -1.26 121.20 123.04 2bs6 s ILE 61 Ca -0.17 -0.94 0.01 0.00 0.00 0.00 0.00 60.65 59.55 2bs6 s ILE 61 Cb -0.17 -1.45 0.02 0.00 0.01 0.00 0.00 42.46 40.86 2bs6 s ILE 61 CO 0.08 0.49 -0.16 -0.13 0.00 0.00 0.00 174.94 175.22 2bs6 s ARG 62 N -0.46 2.43 -0.15 2.79 1.81 -0.02 -1.28 118.95 124.07 2bs6 s ARG 62 Ca 0.07 -0.62 -0.02 0.00 -1.72 0.00 0.00 55.73 53.44 2bs6 s ARG 62 Cb -0.09 -2.10 -0.02 0.00 -0.45 0.00 0.00 34.95 32.29 2bs6 s ARG 62 CO -0.00 -0.13 -0.08 0.08 -0.68 0.00 0.00 175.30 174.49 2bs6 s VAL 63 N 1.15 3.45 -0.36 3.52 1.01 -0.29 -1.30 120.40 127.58 2bs6 s VAL 63 Ca -0.02 -0.51 -0.08 0.00 0.00 0.00 0.00 61.98 61.37 2bs6 s VAL 63 Cb -0.14 -2.49 0.05 0.00 0.00 0.00 0.00 36.38 33.80 2bs6 s VAL 63 CO -0.06 0.51 0.16 -0.31 0.00 0.00 0.00 175.10 175.40 2bs6 s TYR 64 N 0.41 3.28 -0.20 5.22 2.02 -0.05 -0.70 117.35 127.33 2bs6 s TYR 64 Ca -0.07 -1.40 -0.05 0.00 -0.37 0.00 0.00 57.07 55.19 2bs6 s TYR 64 Cb -0.15 -2.48 -0.02 0.00 -0.40 0.00 0.00 41.96 38.91 2bs6 s TYR 64 CO 0.04 -0.75 -0.00 0.00 -1.57 0.00 0.00 175.55 173.27 2bs6 s ALA 65 N 1.43 3.00 -0.03 3.71 0.00 0.34 -1.76 121.76 128.44 2bs6 s ALA 65 Ca 0.00 -1.02 0.07 0.00 0.00 0.00 0.00 51.96 51.02 2bs6 s ALA 65 Cb -0.20 -1.77 -0.02 0.00 0.00 0.00 0.00 23.12 21.13 2bs6 s ALA 65 CO 0.03 -0.20 -0.25 -1.12 0.00 0.00 0.00 175.76 174.22 2bs6 s SER 66 N 1.08 2.99 -0.04 0.00 0.01 0.20 -0.35 113.70 117.59 2bs6 s SER 66 Ca 0.02 -0.47 0.01 0.00 1.31 0.00 0.00 55.95 56.82 2bs6 s SER 66 Cb -0.14 -0.47 0.02 0.00 0.21 0.00 0.00 66.02 65.64 2bs6 s SER 66 CO 0.01 0.29 -0.04 -0.89 0.41 0.00 0.00 173.24 173.03 2bs6 s THR 67 N -0.47 0.48 0.00 1.44 2.01 -0.59 -0.03 115.64 118.48 2bs6 s THR 67 Ca 0.06 -0.09 0.00 0.00 0.31 0.00 0.00 61.69 61.97 2bs6 s THR 67 Cb -0.11 -0.52 0.00 0.00 0.01 0.00 0.00 72.50 71.88 2bs6 s THR 67 CO 0.00 0.22 0.00 0.61 -0.69 0.00 0.00 174.62 174.76 2bs6 n GLY 68 N 4.11 3.51 1.19 4.40 0.00 -1.26 -0.87 105.19 116.27 2bs6 n GLY 68 Ca -0.24 -0.11 0.10 0.00 0.00 0.00 0.00 46.02 45.77 2bs6 n GLY 68 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 2bs6 n THR 69 N 0.00 1.17 -3.47 2.61 -2.24 -1.26 -4.94 114.28 106.15 2bs6 n THR 69 Ca 0.00 -1.06 -0.38 0.00 -2.27 0.00 0.00 64.05 60.34 2bs6 n THR 69 Cb 0.00 0.42 -0.09 0.00 -2.10 0.00 0.00 70.33 68.55 2bs6 n THR 69 CO 0.00 0.00 0.00 -0.89 -0.57 0.00 0.00 175.07 173.61 2bs6 s THR 70 N -1.19 5.23 -0.16 4.28 2.01 -0.05 -4.82 115.64 120.94 2bs6 s THR 70 Ca 0.42 0.45 -0.01 0.00 0.31 0.00 0.00 61.69 62.87 2bs6 s THR 70 Cb 0.23 -3.64 -0.01 0.00 0.01 0.00 0.00 72.50 69.10 2bs6 s THR 70 CO 0.27 0.21 -0.13 -0.89 -0.69 0.00 0.00 174.62 173.39 2bs6 s THR 71 N 1.78 2.88 -0.13 -0.82 2.01 -1.26 -1.55 115.64 118.54 2bs6 s THR 71 Ca 0.13 -0.70 -0.02 0.00 0.31 0.00 0.00 61.69 61.42 2bs6 s THR 71 Cb -0.15 -2.23 -0.02 0.00 0.01 0.00 0.00 72.50 70.10 2bs6 s THR 71 CO 0.09 0.50 -0.08 -0.89 -0.69 0.00 0.00 174.62 173.56 2bs6 s THR 72 N 0.84 3.55 -0.24 -0.82 2.01 0.52 -4.36 115.64 117.14 2bs6 s THR 72 Ca -0.04 -0.49 -0.14 0.00 0.31 0.00 0.00 61.69 61.33 2bs6 s THR 72 Cb -0.15 -2.51 -0.04 0.00 0.01 0.00 0.00 72.50 69.80 2bs6 s THR 72 CO 0.00 0.52 0.32 -0.70 -0.69 0.00 0.00 174.62 174.07 2bs6 s GLU 73 N 0.15 4.07 -0.10 4.92 2.12 -1.26 -0.51 118.70 128.09 2bs6 s GLU 73 Ca -0.04 -0.00 -0.01 0.00 0.36 0.00 0.00 54.97 55.28 2bs6 s GLU 73 Cb -0.14 -3.59 -0.03 0.00 0.26 0.00 0.00 34.13 30.63 2bs6 s GLU 73 CO 0.04 -0.12 -0.06 -1.58 -0.54 0.00 0.00 175.26 173.00 2bs6 s TRP 74 N 1.58 2.96 -0.11 5.30 0.52 0.13 -1.32 118.94 127.99 2bs6 s TRP 74 Ca 0.14 -0.15 0.04 0.00 0.02 0.00 0.00 56.10 56.15 2bs6 s TRP 74 Cb -0.15 -1.81 0.00 0.00 -1.15 0.00 0.00 33.47 30.36 2bs6 s TRP 74 CO 0.08 0.16 -0.24 0.00 0.02 0.00 0.00 176.95 176.97 2bs6 s TRP 76 N 0.40 2.82 -0.02 0.00 -0.11 -0.40 -0.92 118.94 120.71 2bs6 s TRP 76 Ca -0.17 -0.67 0.12 0.00 1.22 0.00 0.00 56.10 56.60 2bs6 s TRP 76 Cb -0.18 -1.86 0.21 0.00 -1.50 0.00 0.00 33.47 30.14 2bs6 s TRP 76 CO 0.08 -0.24 1.09 0.41 -4.62 0.00 0.00 176.95 173.67 2bs6 n GLY 77 N 3.61 1.29 0.00 5.86 0.00 -1.26 -1.39 105.19 113.30 2bs6 n GLY 77 Ca -0.18 -0.49 0.00 0.00 0.00 0.00 0.00 46.02 45.35 2bs6 n GLY 77 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2bs6 n GLY 78 N 0.02 1.20 2.67 -0.02 0.00 -1.26 -4.96 105.19 102.84 2bs6 n GLY 78 Ca 0.05 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 45.98 2bs6 n GLY 78 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 2bs6 n ASN 79 N 0.00 1.14 0.00 1.61 5.15 -1.26 -5.10 115.26 116.80 2bs6 n ASN 79 Ca 0.00 -2.67 0.00 0.00 -0.60 0.00 0.00 54.58 51.31 2bs6 n ASN 79 Cb 0.00 -0.39 0.00 0.00 -0.53 0.00 0.00 39.78 38.86 2bs6 n ASN 79 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 2bs6 n GLY 80 N -0.12 1.44 3.77 8.20 0.00 -1.26 -4.98 105.19 112.24 2bs6 n GLY 80 Ca 0.08 -1.88 -0.38 0.00 0.00 0.00 0.00 46.02 43.84 2bs6 n GLY 80 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 2bs6 s TRP 81 N -2.66 3.61 0.02 1.61 0.52 -1.26 -4.05 118.94 116.74 2bs6 s TRP 81 Ca 0.00 0.93 0.03 0.00 0.02 0.00 0.00 56.10 57.07 2bs6 s TRP 81 Cb 0.00 -2.43 -0.01 0.00 -1.15 0.00 0.00 33.47 29.88 2bs6 s TRP 81 CO 0.00 0.39 -0.08 0.95 0.02 0.00 0.00 176.95 178.22 2bs6 s THR 82 N -0.17 0.65 -0.02 2.01 -4.23 -0.09 -4.92 115.64 108.86 2bs6 s THR 82 Ca 0.24 -0.67 -0.27 0.00 -1.18 0.00 0.00 61.69 59.82 2bs6 s THR 82 Cb -0.16 -0.61 -0.04 0.00 1.34 0.00 0.00 72.50 73.04 2bs6 s THR 82 CO 0.11 -0.04 0.85 -0.75 -0.54 0.00 0.00 174.62 174.25 2bs6 s LYS 83 N -0.79 4.51 0.85 3.99 2.20 -1.26 -0.72 119.74 128.52 2bs6 s LYS 83 Ca -0.01 1.17 -0.08 0.00 -0.36 0.00 0.00 55.97 56.68 2bs6 s LYS 83 Cb -0.06 -3.44 0.17 0.00 -1.51 0.00 0.00 37.83 32.99 2bs6 s LYS 83 CO 0.00 0.04 1.17 -1.54 -0.36 0.00 0.00 175.35 174.66 2bs6 s SER 84 N 0.78 3.67 0.00 1.43 1.04 -0.44 -4.96 113.70 115.22 2bs6 s SER 84 Ca 0.45 -0.08 0.17 0.00 0.48 0.00 0.00 55.95 56.97 2bs6 s SER 84 Cb -0.20 -0.10 0.97 0.00 0.10 0.00 0.00 66.02 66.80 2bs6 s SER 84 CO 0.24 -2.34 1.63 0.00 0.98 0.00 0.00 173.24 173.75 2bs6 n ALA 85 N -3.32 2.59 -1.51 5.32 0.00 -1.26 -4.70 120.51 117.62 2bs6 n ALA 85 Ca 0.16 -0.15 -0.49 0.00 0.00 0.00 0.00 53.44 52.95 2bs6 n ALA 85 Cb 0.60 -1.25 -0.04 0.00 0.00 0.00 0.00 19.45 18.76 2bs6 n ALA 85 CO 0.00 0.00 0.00 0.98 0.00 0.00 0.00 177.50 178.48 2bs6 n TYR 86 N -0.64 0.60 -4.00 0.00 9.36 -1.26 -5.01 117.16 116.22 2bs6 n TYR 86 Ca 0.13 0.84 -0.11 0.00 3.32 0.00 0.00 57.90 62.08 2bs6 n TYR 86 Cb 0.09 -2.14 -0.12 0.00 -0.63 0.00 0.00 39.34 36.54 2bs6 n TYR 86 CO 0.00 0.00 0.00 0.95 0.22 0.00 0.00 176.86 178.03 2bs6 s THR 87 N -0.60 0.24 0.37 2.97 -4.23 -1.26 -4.62 115.64 108.51 2bs6 s THR 87 Ca 0.70 -0.81 -0.22 0.00 -1.18 0.00 0.00 61.69 60.19 2bs6 s THR 87 Cb -0.91 -0.33 -0.10 0.00 1.34 0.00 0.00 72.50 72.49 2bs6 s THR 87 CO 0.56 -0.37 0.91 0.00 -0.54 0.00 0.00 174.62 175.18 2bs6 s ALA 88 N -1.18 3.15 0.00 3.99 0.00 -1.26 -5.04 121.76 121.42 2bs6 s ALA 88 Ca -0.11 0.39 0.00 0.00 0.00 0.00 0.00 51.96 52.23 2bs6 s ALA 88 Cb -0.08 -3.10 0.00 0.00 0.00 0.00 0.00 23.12 19.94 2bs6 s ALA 88 CO -0.00 0.18 0.00 0.25 0.00 0.00 0.00 175.76 176.18