#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2bt9 s SER 2 N 0.00 4.71 0.96 4.04 0.01 -1.26 -5.10 113.70 117.06 2bt9 s SER 2 Ca 0.00 -0.23 -0.11 0.00 1.31 0.00 0.00 55.95 56.92 2bt9 s SER 2 Cb 0.00 -1.05 0.17 0.00 0.21 0.00 0.00 66.02 65.34 2bt9 s SER 2 CO 0.00 0.21 1.09 0.68 0.41 0.00 0.00 173.24 175.63 2bt9 s VAL 3 N -1.18 2.40 -0.05 3.43 -7.23 -1.26 -5.05 120.40 111.46 2bt9 s VAL 3 Ca 0.22 0.13 0.03 0.00 -1.81 0.00 0.00 61.98 60.55 2bt9 s VAL 3 Cb -0.11 -2.43 0.01 0.00 0.56 0.00 0.00 36.38 34.41 2bt9 s VAL 3 CO 0.13 -0.17 -0.13 -1.58 -0.31 0.00 0.00 175.10 173.05 2bt9 s GLN 4 N -4.77 1.57 0.28 4.82 -0.44 -0.99 -4.99 119.66 115.14 2bt9 s GLN 4 Ca 0.65 -0.44 0.08 0.00 -2.50 0.00 0.00 55.36 53.15 2bt9 s GLN 4 Cb -0.20 -1.34 -0.06 0.00 -1.64 0.00 0.00 33.01 29.77 2bt9 s GLN 4 CO 0.59 0.10 -0.10 0.95 0.50 0.00 0.00 175.29 177.33 2bt9 s THR 5 N 0.41 1.86 -0.00 -0.34 -4.23 -1.26 -0.50 115.64 111.58 2bt9 s THR 5 Ca -0.10 -2.19 -0.02 0.00 -1.18 0.00 0.00 61.69 58.20 2bt9 s THR 5 Cb -0.13 -2.39 -0.01 0.00 1.34 0.00 0.00 72.50 71.31 2bt9 s THR 5 CO 0.03 -0.35 0.04 0.00 -0.54 0.00 0.00 174.62 173.79 2bt9 s ALA 6 N -2.87 -0.07 0.03 3.99 0.00 -0.27 -4.95 121.76 117.62 2bt9 s ALA 6 Ca 0.29 -0.18 0.02 0.00 0.00 0.00 0.00 51.96 52.09 2bt9 s ALA 6 Cb 0.02 0.04 -0.02 0.00 0.00 0.00 0.00 23.12 23.15 2bt9 s ALA 6 CO 0.12 -0.11 -0.07 0.00 0.00 0.00 0.00 175.76 175.71 2bt9 s ALA 7 N -0.78 0.49 0.08 0.00 0.00 -1.26 -0.41 121.76 119.89 2bt9 s ALA 7 Ca -0.09 -0.64 -0.06 0.00 0.00 0.00 0.00 51.96 51.18 2bt9 s ALA 7 Cb -0.05 0.03 -0.02 0.00 0.00 0.00 0.00 23.12 23.08 2bt9 s ALA 7 CO -0.00 -0.01 0.11 -0.08 0.00 0.00 0.00 175.76 175.78 2bt9 s THR 8 N -1.13 0.16 0.13 0.00 -1.32 -0.47 -4.88 115.64 108.13 2bt9 s THR 8 Ca -0.08 -1.45 -0.15 0.00 -1.21 0.00 0.00 61.69 58.79 2bt9 s THR 8 Cb -0.08 -1.48 0.03 0.00 -1.51 0.00 0.00 72.50 69.45 2bt9 s THR 8 CO 0.00 -0.73 0.39 -0.94 -2.21 0.00 0.00 174.62 171.13 2bt9 s SER 9 N -2.90 -0.18 0.07 8.08 1.04 -1.26 -1.03 113.70 117.52 2bt9 s SER 9 Ca 0.08 -0.41 -0.18 0.00 0.48 0.00 0.00 55.95 55.92 2bt9 s SER 9 Cb 0.06 0.47 0.04 0.00 0.10 0.00 0.00 66.02 66.69 2bt9 s SER 9 CO -0.09 -0.87 0.41 -1.66 0.98 0.00 0.00 173.24 172.01 2bt9 s TRP 10 N -3.83 -0.25 0.00 5.02 -2.14 -0.40 -4.98 118.94 112.35 2bt9 s TRP 10 Ca 0.05 0.13 0.00 0.00 2.66 0.00 0.00 56.10 58.93 2bt9 s TRP 10 Cb 0.02 0.23 0.00 0.00 -3.10 0.00 0.00 33.47 30.62 2bt9 s TRP 10 CO -0.10 -0.61 0.00 0.41 -2.66 0.00 0.00 176.95 173.99 2bt9 n GLY 11 N 0.27 -0.27 0.00 3.67 0.00 -1.26 -1.74 105.19 105.86 2bt9 n GLY 11 Ca -0.18 -1.00 0.07 0.00 0.00 0.00 0.00 46.02 44.91 2bt9 n GLY 11 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 2bt9 n THR 12 N -0.63 0.00 -0.08 2.61 -2.24 -1.26 -4.63 114.28 108.06 2bt9 n THR 12 Ca 0.00 -0.15 -0.08 0.00 -2.27 0.00 0.00 64.05 61.55 2bt9 n THR 12 Cb 0.00 0.95 -0.01 0.00 -2.10 0.00 0.00 70.33 69.17 2bt9 n THR 12 CO 0.00 0.00 0.00 0.58 -0.57 0.00 0.00 175.07 175.08 2bt9 h VAL 13 N 0.00 0.97 -2.32 2.28 2.07 -1.98 -3.48 116.25 113.80 2bt9 h VAL 13 Ca 0.00 -0.10 -0.46 0.00 0.82 0.00 0.00 66.70 66.96 2bt9 h VAL 13 Cb 0.38 0.67 0.08 0.00 -1.52 0.00 0.00 31.29 30.90 2bt9 h VAL 13 CO 0.00 0.05 0.11 -2.16 0.02 0.00 0.00 177.57 175.59 2bt9 s PRO 14 N -6.17 1.72 0.09 1.57 0.04 -1.26 -4.92 135.00 126.08 2bt9 s PRO 14 Ca -0.13 -1.02 -0.17 0.00 0.04 0.00 0.00 61.00 59.72 2bt9 s PRO 14 Cb 0.10 -2.32 -0.07 0.00 0.04 0.00 0.00 34.50 32.26 2bt9 s PRO 14 CO 0.70 -1.42 0.55 -1.12 0.04 0.00 0.00 177.00 175.75 2bt9 s SER 15 N -4.71 6.95 0.01 6.66 0.01 -0.71 -4.21 113.70 117.70 2bt9 s SER 15 Ca 0.66 1.17 0.04 0.00 1.31 0.00 0.00 55.95 59.13 2bt9 s SER 15 Cb -0.06 -2.32 -0.01 0.00 0.21 0.00 0.00 66.02 63.83 2bt9 s SER 15 CO 0.44 0.21 -0.14 -0.63 0.41 0.00 0.00 173.24 173.54 2bt9 s ILE 16 N -1.25 1.08 -0.06 1.44 1.01 -0.06 -1.28 121.20 122.09 2bt9 s ILE 16 Ca 0.32 -0.73 0.02 0.00 0.00 0.00 0.00 60.65 60.26 2bt9 s ILE 16 Cb -0.17 -0.93 0.01 0.00 0.01 0.00 0.00 42.46 41.38 2bt9 s ILE 16 CO 0.18 0.19 -0.13 -0.13 0.00 0.00 0.00 174.94 175.06 2bt9 s ARG 17 N -0.62 1.73 -0.15 2.79 1.81 -0.19 -1.32 118.95 122.99 2bt9 s ARG 17 Ca 0.04 -0.43 0.01 0.00 -1.72 0.00 0.00 55.73 53.63 2bt9 s ARG 17 Cb -0.06 -1.43 0.02 0.00 -0.45 0.00 0.00 34.95 33.03 2bt9 s ARG 17 CO 0.00 0.04 -0.19 0.08 -0.68 0.00 0.00 175.30 174.55 2bt9 s VAL 18 N 0.62 1.90 -0.14 3.52 1.01 -0.07 -1.37 120.40 125.87 2bt9 s VAL 18 Ca -0.14 -0.86 -0.05 0.00 0.00 0.00 0.00 61.98 60.93 2bt9 s VAL 18 Cb -0.16 -1.72 -0.04 0.00 0.00 0.00 0.00 36.38 34.47 2bt9 s VAL 18 CO 0.04 0.52 0.05 -0.31 0.00 0.00 0.00 175.10 175.39 2bt9 s TYR 19 N 1.14 3.26 -0.11 5.22 2.02 0.46 -0.98 117.35 128.35 2bt9 s TYR 19 Ca -0.00 0.15 0.02 0.00 -0.37 0.00 0.00 57.07 56.86 2bt9 s TYR 19 Cb -0.14 -1.96 0.01 0.00 -0.40 0.00 0.00 41.96 39.48 2bt9 s TYR 19 CO -0.08 0.33 -0.15 0.99 -1.57 0.00 0.00 175.55 175.07 2bt9 s THR 20 N -0.24 1.50 -0.27 -0.71 2.01 -0.14 -1.11 115.64 116.68 2bt9 s THR 20 Ca 0.07 -0.65 -0.18 0.00 0.31 0.00 0.00 61.69 61.24 2bt9 s THR 20 Cb -0.12 -1.37 -0.02 0.00 0.01 0.00 0.00 72.50 71.00 2bt9 s THR 20 CO 0.02 0.44 0.54 0.00 -0.69 0.00 0.00 174.62 174.93 2bt9 s ALA 21 N 0.95 3.58 -0.12 7.40 0.00 0.34 -1.66 121.76 132.24 2bt9 s ALA 21 Ca -0.07 -0.63 -0.04 0.00 0.00 0.00 0.00 51.96 51.22 2bt9 s ALA 21 Cb -0.15 -2.94 0.06 0.00 0.00 0.00 0.00 23.12 20.09 2bt9 s ALA 21 CO -0.01 -0.83 0.22 1.21 0.00 0.00 0.00 175.76 176.35 2bt9 s ASN 22 N 1.57 0.68 -1.50 0.00 2.47 0.04 -2.33 114.94 115.86 2bt9 s ASN 22 Ca 0.22 0.36 -0.09 0.00 0.42 0.00 0.00 52.86 53.77 2bt9 s ASN 22 Cb -0.15 0.49 0.07 0.00 -1.45 0.00 0.00 41.25 40.20 2bt9 s ASN 22 CO 0.10 -0.26 0.77 -3.20 -3.72 0.00 0.00 177.10 170.79 2bt9 n ASN 23 N 5.34 -2.80 0.00 -4.21 5.15 -1.26 -1.77 115.26 115.71 2bt9 n ASN 23 Ca -0.05 -0.88 0.00 0.00 -0.60 0.00 0.00 54.58 53.04 2bt9 n ASN 23 Cb 0.50 -3.51 0.00 0.00 -0.53 0.00 0.00 39.78 36.24 2bt9 n ASN 23 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 2bt9 n GLY 24 N -1.67 0.83 3.20 8.20 0.00 -1.25 -5.02 105.19 109.47 2bt9 n GLY 24 Ca -0.10 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.66 2bt9 n GLY 24 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2bt9 s LYS 25 N -0.11 1.63 -0.17 1.61 1.02 -0.73 -0.85 119.74 122.14 2bt9 s LYS 25 Ca 0.00 -0.70 -0.04 0.00 0.02 0.00 0.00 55.97 55.26 2bt9 s LYS 25 Cb 0.00 -1.55 -0.02 0.00 -0.52 0.00 0.00 37.83 35.74 2bt9 s LYS 25 CO 0.00 0.41 -0.04 0.42 -0.92 0.00 0.00 175.35 175.22 2bt9 s ILE 26 N -0.41 3.75 0.39 2.17 1.01 0.45 -0.78 121.20 127.78 2bt9 s ILE 26 Ca 0.06 -0.40 0.05 0.00 0.00 0.00 0.00 60.65 60.37 2bt9 s ILE 26 Cb -0.08 -2.65 -0.07 0.00 0.01 0.00 0.00 42.46 39.67 2bt9 s ILE 26 CO -0.00 0.48 0.03 0.42 0.00 0.00 0.00 174.94 175.86 2bt9 s THR 27 N 0.61 1.63 -0.02 2.92 -4.23 -0.66 -2.06 115.64 113.83 2bt9 s THR 27 Ca -0.03 -2.00 0.01 0.00 -1.18 0.00 0.00 61.69 58.50 2bt9 s THR 27 Cb -0.14 -2.83 0.01 0.00 1.34 0.00 0.00 72.50 70.87 2bt9 s THR 27 CO 0.02 0.00 -0.04 -0.70 -0.54 0.00 0.00 174.62 173.36 2bt9 s GLU 28 N -3.78 0.58 0.07 3.99 2.12 -1.23 -0.96 118.70 119.50 2bt9 s GLU 28 Ca 0.32 -0.13 0.10 0.00 0.36 0.00 0.00 54.97 55.62 2bt9 s GLU 28 Cb 0.09 -0.61 -0.03 0.00 0.26 0.00 0.00 34.13 33.84 2bt9 s GLU 28 CO 0.16 0.01 -0.25 1.03 -0.54 0.00 0.00 175.26 175.66 2bt9 s ARG 29 N 0.44 1.71 0.00 4.30 1.81 -0.16 -0.65 118.95 126.40 2bt9 s ARG 29 Ca -0.05 -1.17 0.02 0.00 -1.72 0.00 0.00 55.73 52.81 2bt9 s ARG 29 Cb -0.09 -1.99 -0.01 0.00 -0.45 0.00 0.00 34.95 32.42 2bt9 s ARG 29 CO -0.00 0.49 -0.07 0.00 -0.68 0.00 0.00 175.30 175.04 2bt9 s TRP 31 N -0.33 1.41 -0.09 0.00 -0.11 -0.44 -0.97 118.94 118.42 2bt9 s TRP 31 Ca 0.01 -0.56 0.13 0.00 1.22 0.00 0.00 56.10 56.89 2bt9 s TRP 31 Cb -0.04 -1.08 0.20 0.00 -1.50 0.00 0.00 33.47 31.06 2bt9 s TRP 31 CO -0.00 -0.33 1.10 -0.25 -4.62 0.00 0.00 176.95 172.86 2bt9 n ASP 32 N 4.10 1.51 0.00 5.86 8.00 -1.26 -0.88 116.55 133.87 2bt9 n ASP 32 Ca -0.21 -2.74 0.00 0.00 0.71 0.00 0.00 54.79 52.55 2bt9 n ASP 32 Cb 0.51 -0.36 0.00 0.00 -0.02 0.00 0.00 41.12 41.26 2bt9 n ASP 32 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 2bt9 n GLY 33 N -0.90 1.40 0.07 0.44 0.00 -1.26 -4.88 105.19 100.06 2bt9 n GLY 33 Ca 0.11 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.13 2bt9 n GLY 33 CO 0.00 0.00 0.00 0.58 0.00 0.00 0.00 173.32 173.90 2bt9 n LYS 34 N -0.35 0.22 0.00 1.61 2.85 -1.26 -5.11 118.16 116.12 2bt9 n LYS 34 Ca 0.00 -0.66 0.00 0.00 -1.05 0.00 0.00 58.31 56.60 2bt9 n LYS 34 Cb 0.00 -0.55 0.00 0.00 -0.65 0.00 0.00 35.03 33.83 2bt9 n LYS 34 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 177.40 177.76 2bt9 n GLY 35 N -0.05 4.04 3.81 2.58 0.00 -1.26 -5.12 105.19 109.19 2bt9 n GLY 35 Ca 0.00 -1.12 -0.37 0.00 0.00 0.00 0.00 46.02 44.53 2bt9 n GLY 35 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 2bt9 s TRP 36 N -2.00 3.71 0.13 1.61 0.52 -1.26 -4.26 118.94 117.39 2bt9 s TRP 36 Ca 0.00 1.37 -0.03 0.00 0.02 0.00 0.00 56.10 57.46 2bt9 s TRP 36 Cb 0.00 -2.60 -0.03 0.00 -1.15 0.00 0.00 33.47 29.69 2bt9 s TRP 36 CO 0.00 0.41 0.12 1.52 0.02 0.00 0.00 176.95 179.02 2bt9 s TYR 37 N -1.40 0.68 -0.10 -1.98 -0.85 -0.14 -4.94 117.35 108.62 2bt9 s TYR 37 Ca 0.39 -1.07 -0.22 0.00 -0.52 0.00 0.00 57.07 55.66 2bt9 s TYR 37 Cb -0.18 -0.34 -0.04 0.00 0.38 0.00 0.00 41.96 41.78 2bt9 s TYR 37 CO 0.21 -0.57 0.63 0.99 -1.52 0.00 0.00 175.55 175.29 2bt9 s THR 38 N -4.01 5.09 0.76 -3.49 2.01 -1.26 -0.42 115.64 114.32 2bt9 s THR 38 Ca 0.20 1.27 -0.07 0.00 0.31 0.00 0.00 61.69 63.40 2bt9 s THR 38 Cb 0.06 -3.96 0.11 0.00 0.01 0.00 0.00 72.50 68.72 2bt9 s THR 38 CO -0.00 0.26 1.07 -0.83 -0.69 0.00 0.00 174.62 174.42 2bt9 s GLY 39 N 0.79 1.74 0.46 4.40 0.00 0.18 -4.92 107.32 109.95 2bt9 s GLY 39 Ca 0.33 -1.23 0.25 0.00 0.00 0.00 0.00 44.72 44.07 2bt9 s GLY 39 CO 0.15 -0.70 1.85 0.00 0.00 0.00 0.00 173.10 174.40 2bt9 h ALA 40 N -0.78 1.03 -2.42 3.20 0.00 -1.97 -3.43 119.26 114.89 2bt9 h ALA 40 Ca -0.42 -0.18 -0.54 0.00 0.00 0.00 0.00 54.91 53.77 2bt9 h ALA 40 Cb 1.28 -0.03 0.01 0.00 0.00 0.00 0.00 17.79 19.05 2bt9 h ALA 40 CO 0.49 0.24 0.81 0.12 0.00 0.00 0.00 179.25 180.91 2bt9 s PHE 41 N -3.67 2.94 -0.28 0.00 5.36 -1.26 -4.96 117.98 116.10 2bt9 s PHE 41 Ca 0.00 0.84 0.02 0.00 -0.96 0.00 0.00 56.93 56.84 2bt9 s PHE 41 Cb 0.10 -3.67 0.17 0.00 -0.34 0.00 0.00 43.02 39.28 2bt9 s PHE 41 CO 0.62 -2.46 0.48 1.21 -1.46 0.00 0.00 175.22 173.61 2bt9 s ASN 42 N 1.71 -0.41 0.05 6.13 3.84 -1.26 -3.49 114.94 121.51 2bt9 s ASN 42 Ca 0.64 -0.00 -0.07 0.00 0.21 0.00 0.00 52.86 53.64 2bt9 s ASN 42 Cb -0.33 1.49 -0.01 0.00 -0.55 0.00 0.00 41.25 41.85 2bt9 s ASN 42 CO 0.28 -0.32 0.13 -1.61 -2.79 0.00 0.00 177.10 172.79 2bt9 s GLU 43 N 2.66 0.67 0.50 0.43 0.41 -0.87 -4.99 118.70 117.51 2bt9 s GLU 43 Ca 0.11 -0.81 -0.22 0.00 -0.41 0.00 0.00 54.97 53.63 2bt9 s GLU 43 Cb -0.12 0.27 -0.06 0.00 -1.78 0.00 0.00 34.13 32.43 2bt9 s GLU 43 CO -0.26 -0.18 1.26 -2.14 -0.49 0.00 0.00 175.26 173.44 2bt9 s PRO 44 N -3.01 3.49 0.00 0.39 0.02 -1.26 -0.41 135.00 134.22 2bt9 s PRO 44 Ca -0.02 1.99 0.00 0.00 0.02 0.00 0.00 61.00 63.00 2bt9 s PRO 44 Cb 0.01 -2.35 0.00 0.00 0.02 0.00 0.00 34.50 32.18 2bt9 s PRO 44 CO -0.06 -0.84 0.00 0.41 -0.33 0.00 0.00 177.00 176.18 2bt9 n GLY 45 N 0.58 2.20 0.01 0.52 0.00 -0.03 -4.69 105.19 103.79 2bt9 n GLY 45 Ca 0.08 -0.30 0.11 0.00 0.00 0.00 0.00 46.02 45.91 2bt9 n GLY 45 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 2bt9 n ASP 46 N 0.00 0.66 -3.81 1.61 8.00 0.44 -2.58 116.55 120.86 2bt9 n ASP 46 Ca 0.00 -0.55 -0.12 0.00 0.71 0.00 0.00 54.79 54.82 2bt9 n ASP 46 Cb 0.00 1.13 -0.11 0.00 -0.02 0.00 0.00 41.12 42.13 2bt9 n ASP 46 CO 0.00 0.00 0.00 0.21 -0.39 0.00 0.00 177.20 177.02 2bt9 s ASN 47 N -3.55 -0.14 0.01 -2.24 3.84 -0.93 -4.89 114.94 107.03 2bt9 s ASN 47 Ca 0.04 0.19 0.01 0.00 0.21 0.00 0.00 52.86 53.30 2bt9 s ASN 47 Cb 0.15 0.36 -0.01 0.00 -0.55 0.00 0.00 41.25 41.20 2bt9 s ASN 47 CO 0.85 -0.23 -0.03 0.54 -2.79 0.00 0.00 177.10 175.45 2bt9 s VAL 48 N -0.57 0.23 0.18 -5.21 0.11 -1.26 -0.91 120.40 112.97 2bt9 s VAL 48 Ca -0.07 -0.32 0.02 0.00 -2.93 0.00 0.00 61.98 58.69 2bt9 s VAL 48 Cb -0.04 -0.24 -0.05 0.00 -1.53 0.00 0.00 36.38 34.53 2bt9 s VAL 48 CO 0.01 -0.06 -0.01 -0.94 -3.33 0.00 0.00 175.10 170.77 2bt9 s SER 49 N -0.40 1.40 0.01 3.54 1.04 -0.65 -4.53 113.70 114.12 2bt9 s SER 49 Ca -0.02 -1.16 -0.13 0.00 0.48 0.00 0.00 55.95 55.12 2bt9 s SER 49 Cb -0.03 0.08 0.02 0.00 0.10 0.00 0.00 66.02 66.19 2bt9 s SER 49 CO -0.00 -0.53 0.27 0.54 0.98 0.00 0.00 173.24 174.50 2bt9 s VAL 50 N -3.57 0.08 0.07 5.02 0.11 -1.26 -0.68 120.40 120.16 2bt9 s VAL 50 Ca 0.24 -0.63 -0.06 0.00 -2.93 0.00 0.00 61.98 58.61 2bt9 s VAL 50 Cb 0.06 -0.75 -0.02 0.00 -1.53 0.00 0.00 36.38 34.14 2bt9 s VAL 50 CO 0.04 -0.34 0.10 0.28 -3.33 0.00 0.00 175.10 171.85 2bt9 s THR 51 N -1.91 0.17 0.12 5.04 -1.32 -0.53 -4.90 115.64 112.31 2bt9 s THR 51 Ca -0.10 -1.37 -0.14 0.00 -1.21 0.00 0.00 61.69 58.87 2bt9 s THR 51 Cb -0.03 -1.32 0.02 0.00 -1.51 0.00 0.00 72.50 69.66 2bt9 s THR 51 CO 0.00 -0.76 0.35 -0.94 -2.21 0.00 0.00 174.62 171.06 2bt9 s SER 52 N -2.75 -0.13 0.05 8.08 1.04 -1.26 -0.82 113.70 117.91 2bt9 s SER 52 Ca 0.04 -0.44 -0.14 0.00 0.48 0.00 0.00 55.95 55.89 2bt9 s SER 52 Cb 0.05 0.44 0.02 0.00 0.10 0.00 0.00 66.02 66.63 2bt9 s SER 52 CO -0.10 -0.83 0.30 -1.66 0.98 0.00 0.00 173.24 171.94 2bt9 s TRP 53 N -3.83 -0.10 -0.02 5.02 -2.14 -0.26 -5.00 118.94 112.62 2bt9 s TRP 53 Ca 0.04 -0.06 -0.05 0.00 2.66 0.00 0.00 56.10 58.70 2bt9 s TRP 53 Cb 0.03 0.10 -0.04 0.00 -3.10 0.00 0.00 33.47 30.45 2bt9 s TRP 53 CO -0.11 -0.51 0.21 -0.51 -2.66 0.00 0.00 176.95 173.37 2bt9 s LEU 54 N -2.13 4.37 -0.33 -4.66 1.43 -1.26 -0.91 118.68 115.20 2bt9 s LEU 54 Ca -0.04 0.46 0.03 0.00 -1.03 0.00 0.00 54.13 53.54 2bt9 s LEU 54 Cb -0.00 -2.55 0.09 0.00 0.03 0.00 0.00 46.19 43.76 2bt9 s LEU 54 CO -0.04 0.28 0.03 -0.69 0.23 0.00 0.00 176.35 176.16 2bt9 s VAL 55 N -1.26 2.41 0.00 -1.59 1.01 -0.25 -4.97 120.40 115.75 2bt9 s VAL 55 Ca 0.25 -2.08 0.00 0.00 0.00 0.00 0.00 61.98 60.15 2bt9 s VAL 55 Cb -0.13 -2.66 0.00 0.00 0.00 0.00 0.00 36.38 33.59 2bt9 s VAL 55 CO 0.15 -0.44 0.00 0.61 0.00 0.00 0.00 175.10 175.42 2bt9 n GLY 56 N 4.36 3.38 0.89 4.51 0.00 -1.26 -1.64 105.19 115.43 2bt9 n GLY 56 Ca -0.02 -0.12 0.12 0.00 0.00 0.00 0.00 46.02 46.00 2bt9 n GLY 56 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 2bt9 n SER 57 N 6.67 2.76 -4.65 1.61 3.41 -1.26 -4.92 113.62 117.24 2bt9 n SER 57 Ca 0.00 -1.90 -0.41 0.00 -0.26 0.00 0.00 58.87 56.30 2bt9 n SER 57 Cb 0.00 -0.05 -0.05 0.00 -0.26 0.00 0.00 64.21 63.85 2bt9 n SER 57 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2bt9 s ALA 58 N -1.89 3.59 0.22 7.33 0.00 -0.65 -5.04 121.76 125.32 2bt9 s ALA 58 Ca 0.32 -0.15 -0.26 0.00 0.00 0.00 0.00 51.96 51.87 2bt9 s ALA 58 Cb 0.21 -3.18 -0.09 0.00 0.00 0.00 0.00 23.12 20.06 2bt9 s ALA 58 CO 0.31 -0.77 0.85 -1.50 0.00 0.00 0.00 175.76 174.65 2bt9 s ILE 59 N 2.44 4.28 -0.11 0.00 1.10 -1.26 -1.09 121.20 126.55 2bt9 s ILE 59 Ca 0.33 1.79 0.01 0.00 -0.51 0.00 0.00 60.65 62.28 2bt9 s ILE 59 Cb -0.16 -4.14 0.02 0.00 0.15 0.00 0.00 42.46 38.33 2bt9 s ILE 59 CO 0.09 0.41 -0.13 -1.00 -2.11 0.00 0.00 174.94 172.21 2bt9 s HIS 60 N -1.29 1.81 -0.02 3.50 3.76 -0.09 -4.00 115.29 118.96 2bt9 s HIS 60 Ca 0.41 -0.86 0.07 0.00 -0.15 0.00 0.00 55.06 54.53 2bt9 s HIS 60 Cb -0.22 -1.34 -0.02 0.00 1.11 0.00 0.00 32.58 32.11 2bt9 s HIS 60 CO 0.27 -0.47 -0.24 0.42 -0.85 0.00 0.00 174.74 173.86 2bt9 s ILE 61 N 1.14 1.92 -0.14 0.60 1.01 0.10 -1.10 121.20 124.73 2bt9 s ILE 61 Ca -0.04 -1.03 0.01 0.00 0.00 0.00 0.00 60.65 59.58 2bt9 s ILE 61 Cb -0.14 -1.60 0.02 0.00 0.01 0.00 0.00 42.46 40.75 2bt9 s ILE 61 CO -0.03 0.54 -0.14 -0.13 0.00 0.00 0.00 174.94 175.18 2bt9 s ARG 62 N -0.52 2.23 -0.16 2.79 1.81 -0.00 -1.23 118.95 123.87 2bt9 s ARG 62 Ca 0.08 -0.54 -0.04 0.00 -1.72 0.00 0.00 55.73 53.51 2bt9 s ARG 62 Cb -0.10 -2.02 -0.03 0.00 -0.45 0.00 0.00 34.95 32.36 2bt9 s ARG 62 CO -0.00 -0.19 -0.04 0.08 -0.68 0.00 0.00 175.30 174.47 2bt9 s VAL 63 N 1.36 3.85 -0.35 3.52 1.01 -0.31 -1.45 120.40 128.03 2bt9 s VAL 63 Ca 0.02 -0.37 -0.07 0.00 0.00 0.00 0.00 61.98 61.55 2bt9 s VAL 63 Cb -0.13 -2.69 0.04 0.00 0.00 0.00 0.00 36.38 33.59 2bt9 s VAL 63 CO -0.08 0.49 0.13 -0.31 0.00 0.00 0.00 175.10 175.33 2bt9 s TYR 64 N 0.46 3.26 -0.21 5.22 2.02 0.14 -0.40 117.35 127.83 2bt9 s TYR 64 Ca -0.04 -1.34 -0.06 0.00 -0.37 0.00 0.00 57.07 55.26 2bt9 s TYR 64 Cb -0.14 -2.33 -0.03 0.00 -0.40 0.00 0.00 41.96 39.05 2bt9 s TYR 64 CO 0.03 -0.72 0.04 0.00 -1.57 0.00 0.00 175.55 173.33 2bt9 s ALA 65 N 1.43 3.17 -0.01 3.71 0.00 0.08 -1.63 121.76 128.51 2bt9 s ALA 65 Ca -0.01 -0.98 0.08 0.00 0.00 0.00 0.00 51.96 51.05 2bt9 s ALA 65 Cb -0.20 -1.92 -0.02 0.00 0.00 0.00 0.00 23.12 20.98 2bt9 s ALA 65 CO 0.04 -0.18 -0.25 -1.12 0.00 0.00 0.00 175.76 174.25 2bt9 s SER 66 N 1.06 2.89 -0.05 0.00 0.01 -0.08 -0.28 113.70 117.24 2bt9 s SER 66 Ca 0.03 -0.46 0.01 0.00 1.31 0.00 0.00 55.95 56.84 2bt9 s SER 66 Cb -0.14 -0.31 0.02 0.00 0.21 0.00 0.00 66.02 65.80 2bt9 s SER 66 CO 0.03 0.29 -0.04 -0.89 0.41 0.00 0.00 173.24 173.04 2bt9 s THR 67 N -0.60 0.58 0.00 1.44 2.01 -0.56 -0.42 115.64 118.09 2bt9 s THR 67 Ca 0.10 -0.12 0.00 0.00 0.31 0.00 0.00 61.69 61.98 2bt9 s THR 67 Cb -0.09 -0.62 0.00 0.00 0.01 0.00 0.00 72.50 71.79 2bt9 s THR 67 CO -0.01 0.25 0.00 0.61 -0.69 0.00 0.00 174.62 174.78 2bt9 n GLY 68 N 4.28 3.52 1.29 4.40 0.00 -1.26 -1.24 105.19 116.18 2bt9 n GLY 68 Ca -0.21 -0.03 0.11 0.00 0.00 0.00 0.00 46.02 45.90 2bt9 n GLY 68 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 2bt9 n THR 69 N 0.00 1.00 -3.66 2.61 -2.24 -1.26 -4.92 114.28 105.81 2bt9 n THR 69 Ca 0.00 -1.00 -0.38 0.00 -2.27 0.00 0.00 64.05 60.40 2bt9 n THR 69 Cb 0.00 0.50 -0.12 0.00 -2.10 0.00 0.00 70.33 68.61 2bt9 n THR 69 CO 0.00 0.00 0.00 -0.89 -0.57 0.00 0.00 175.07 173.61 2bt9 s THR 70 N -1.00 4.79 -0.19 4.28 2.01 -0.37 -4.53 115.64 120.63 2bt9 s THR 70 Ca 0.47 -0.12 -0.05 0.00 0.31 0.00 0.00 61.69 62.29 2bt9 s THR 70 Cb 0.24 -3.32 -0.03 0.00 0.01 0.00 0.00 72.50 69.41 2bt9 s THR 70 CO 0.32 0.22 -0.01 -0.89 -0.69 0.00 0.00 174.62 173.57 2bt9 s THR 71 N 1.67 3.96 -0.14 -0.82 2.01 -1.26 -1.49 115.64 119.57 2bt9 s THR 71 Ca 0.06 -0.32 -0.02 0.00 0.31 0.00 0.00 61.69 61.72 2bt9 s THR 71 Cb -0.16 -2.78 -0.03 0.00 0.01 0.00 0.00 72.50 69.55 2bt9 s THR 71 CO 0.07 0.45 -0.06 -0.89 -0.69 0.00 0.00 174.62 173.50 2bt9 s THR 72 N 0.81 3.74 -0.05 -0.82 2.01 0.62 -4.78 115.64 117.16 2bt9 s THR 72 Ca 0.00 -0.42 -0.16 0.00 0.31 0.00 0.00 61.69 61.42 2bt9 s THR 72 Cb -0.14 -2.61 -0.05 0.00 0.01 0.00 0.00 72.50 69.71 2bt9 s THR 72 CO 0.02 0.52 0.43 -0.70 -0.69 0.00 0.00 174.62 174.20 2bt9 s GLU 73 N 0.18 4.13 -0.04 4.92 2.12 -1.26 -0.74 118.70 128.00 2bt9 s GLU 73 Ca -0.03 0.42 0.06 0.00 0.36 0.00 0.00 54.97 55.78 2bt9 s GLU 73 Cb -0.14 -3.32 -0.02 0.00 0.26 0.00 0.00 34.13 30.91 2bt9 s GLU 73 CO 0.03 0.45 -0.23 -1.58 -0.54 0.00 0.00 175.26 173.39 2bt9 s TRP 74 N -0.30 2.46 -0.10 5.30 0.52 0.46 -0.37 118.94 126.91 2bt9 s TRP 74 Ca 0.24 -0.44 0.04 0.00 0.02 0.00 0.00 56.10 55.96 2bt9 s TRP 74 Cb -0.16 -1.56 -0.00 0.00 -1.15 0.00 0.00 33.47 30.60 2bt9 s TRP 74 CO 0.12 -0.03 -0.24 0.00 0.02 0.00 0.00 176.95 176.82 2bt9 s TRP 76 N 0.30 2.87 -0.09 0.00 -0.11 -0.37 -1.37 118.94 120.18 2bt9 s TRP 76 Ca -0.18 -0.99 0.14 0.00 1.22 0.00 0.00 56.10 56.29 2bt9 s TRP 76 Cb -0.18 -1.99 0.27 0.00 -1.50 0.00 0.00 33.47 30.08 2bt9 s TRP 76 CO 0.08 -0.50 1.13 -0.25 -4.62 0.00 0.00 176.95 172.80 2bt9 n ASP 77 N 4.37 1.37 0.00 5.86 8.00 -1.26 -0.72 116.55 134.16 2bt9 n ASP 77 Ca -0.19 -2.81 0.00 0.00 0.71 0.00 0.00 54.79 52.50 2bt9 n ASP 77 Cb 0.51 -0.37 0.00 0.00 -0.02 0.00 0.00 41.12 41.24 2bt9 n ASP 77 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 2bt9 n GLY 78 N -0.66 0.66 2.48 0.44 0.00 -1.26 -4.95 105.19 101.91 2bt9 n GLY 78 Ca 0.11 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 46.00 2bt9 n GLY 78 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 2bt9 n ASN 79 N 0.00 0.13 0.00 1.61 6.94 -1.26 -5.13 115.26 117.55 2bt9 n ASN 79 Ca 0.00 -2.97 0.00 0.00 -0.02 0.00 0.00 54.58 51.59 2bt9 n ASN 79 Cb 0.00 0.04 0.00 0.00 -2.36 0.00 0.00 39.78 37.46 2bt9 n ASN 79 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 2bt9 n GLY 80 N 0.08 0.62 3.76 4.83 0.00 -1.26 -4.98 105.19 108.24 2bt9 n GLY 80 Ca 0.14 -1.79 -0.39 0.00 0.00 0.00 0.00 46.02 43.98 2bt9 n GLY 80 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 2bt9 s TRP 81 N -2.69 3.65 0.04 1.61 0.52 -1.26 -4.22 118.94 116.59 2bt9 s TRP 81 Ca 0.00 1.12 0.00 0.00 0.02 0.00 0.00 56.10 57.25 2bt9 s TRP 81 Cb 0.00 -2.57 -0.03 0.00 -1.15 0.00 0.00 33.47 29.72 2bt9 s TRP 81 CO 0.00 0.34 -0.04 0.95 0.02 0.00 0.00 176.95 178.22 2bt9 s THR 82 N -0.11 0.28 0.25 2.01 -4.23 -0.47 -4.93 115.64 108.44 2bt9 s THR 82 Ca 0.29 -1.25 -0.30 0.00 -1.18 0.00 0.00 61.69 59.26 2bt9 s THR 82 Cb -0.17 -0.76 -0.09 0.00 1.34 0.00 0.00 72.50 72.81 2bt9 s THR 82 CO 0.15 -0.63 1.17 -0.75 -0.54 0.00 0.00 174.62 174.03 2bt9 s LYS 83 N -2.28 4.54 0.58 3.99 2.20 -1.26 -0.21 119.74 127.29 2bt9 s LYS 83 Ca -0.07 1.90 0.04 0.00 -0.36 0.00 0.00 55.97 57.48 2bt9 s LYS 83 Cb -0.04 -3.19 0.06 0.00 -1.51 0.00 0.00 37.83 33.15 2bt9 s LYS 83 CO -0.03 0.04 0.80 0.20 -0.36 0.00 0.00 175.35 175.99 2bt9 s GLY 84 N -0.45 1.81 0.10 5.54 0.00 0.49 -4.85 107.32 109.97 2bt9 s GLY 84 Ca 0.48 -1.66 0.23 0.00 0.00 0.00 0.00 44.72 43.78 2bt9 s GLY 84 CO 0.41 -1.28 1.73 0.00 0.00 0.00 0.00 173.10 173.96 2bt9 n ALA 85 N -2.36 2.01 -1.63 3.20 0.00 -1.26 -4.67 120.51 115.79 2bt9 n ALA 85 Ca 0.11 -0.03 -0.46 0.00 0.00 0.00 0.00 53.44 53.07 2bt9 n ALA 85 Cb 0.60 -1.39 -0.02 0.00 0.00 0.00 0.00 19.45 18.64 2bt9 n ALA 85 CO 0.00 0.00 0.00 0.98 0.00 0.00 0.00 177.50 178.48 2bt9 n TYR 86 N -1.81 1.72 -4.13 0.00 9.36 -1.26 -5.00 117.16 116.04 2bt9 n TYR 86 Ca 0.05 0.58 -0.09 0.00 3.32 0.00 0.00 57.90 61.76 2bt9 n TYR 86 Cb 0.29 -2.35 -0.10 0.00 -0.63 0.00 0.00 39.34 36.55 2bt9 n TYR 86 CO 0.00 0.00 0.00 0.95 0.22 0.00 0.00 176.86 178.03 2bt9 s THR 87 N -0.47 0.27 0.07 2.97 -4.23 -1.26 -4.63 115.64 108.36 2bt9 s THR 87 Ca 0.65 -1.86 -0.10 0.00 -1.18 0.00 0.00 61.69 59.20 2bt9 s THR 87 Cb -0.71 -1.73 0.00 0.00 1.34 0.00 0.00 72.50 71.41 2bt9 s THR 87 CO 0.54 -0.80 0.21 -0.94 -0.54 0.00 0.00 174.62 173.09 2bt9 s SER 88 N -2.99 0.06 -0.77 3.99 1.04 -1.26 -5.09 113.70 108.68 2bt9 s SER 88 Ca 0.14 -0.51 0.03 0.00 0.48 0.00 0.00 55.95 56.08 2bt9 s SER 88 Cb 0.07 0.33 0.25 0.00 0.10 0.00 0.00 66.02 66.78 2bt9 s SER 88 CO -0.05 -0.67 0.88 0.41 0.98 0.00 0.00 173.24 174.79 2bt9 n THR 89 N 0.21 3.00 1.98 2.02 -1.04 -1.26 -4.98 114.28 114.22 2bt9 n THR 89 Ca -0.17 -5.33 0.16 0.00 -2.04 0.00 0.00 64.05 56.67 2bt9 n THR 89 Cb 0.61 -2.14 0.94 0.00 -1.82 0.00 0.00 70.33 67.92 2bt9 n THR 89 CO 0.00 0.00 0.00 0.59 -0.64 0.00 0.00 175.07 175.02