#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1t23 s ASN 2 N 0.00 3.18 0.26 4.04 3.84 -1.26 -5.11 114.94 119.89 1t23 s ASN 2 Ca 0.00 -0.81 -0.21 0.00 0.21 0.00 0.00 52.86 52.05 1t23 s ASN 2 Cb 0.00 -1.10 0.05 0.00 -0.55 0.00 0.00 41.25 39.65 1t23 s ASN 2 CO 0.00 -0.17 0.84 0.28 -2.79 0.00 0.00 177.10 175.27 1t23 s THR 3 N 1.50 0.00 -0.17 -5.21 -1.32 -1.26 -4.57 115.64 104.60 1t23 s THR 3 Ca -0.01 -0.86 0.01 0.00 -1.21 0.00 0.00 61.69 59.62 1t23 s THR 3 Cb -0.16 -2.33 0.02 0.00 -1.51 0.00 0.00 72.50 68.52 1t23 s THR 3 CO -0.08 0.00 -0.17 -0.13 -2.21 0.00 0.00 174.62 172.03 1t23 s ARG 4 N -3.12 2.67 0.30 7.08 1.81 0.94 -4.86 118.95 123.77 1t23 s ARG 4 Ca 0.14 -0.73 -0.29 0.00 -1.72 0.00 0.00 55.73 53.13 1t23 s ARG 4 Cb -0.04 -2.39 -0.09 0.00 -0.45 0.00 0.00 34.95 31.98 1t23 s ARG 4 CO 0.07 -0.24 1.09 1.21 -0.68 0.00 0.00 175.30 176.75 1t23 s ASN 5 N 1.37 7.20 0.23 0.23 3.84 -1.26 0.40 114.94 126.95 1t23 s ASN 5 Ca 0.04 2.23 -0.14 0.00 0.21 0.00 0.00 52.86 55.21 1t23 s ASN 5 Cb -0.13 -2.62 0.00 0.00 -0.55 0.00 0.00 41.25 37.95 1t23 s ASN 5 CO -0.12 -0.19 0.48 -0.36 -2.79 0.00 0.00 177.10 174.12 1t23 s PHE 6 N -1.23 0.23 -0.12 0.43 0.08 0.11 -4.86 117.98 112.62 1t23 s PHE 6 Ca 0.46 -0.60 -0.13 0.00 0.12 0.00 0.00 56.93 56.78 1t23 s PHE 6 Cb -0.30 0.23 0.03 0.00 -0.57 0.00 0.00 43.02 42.41 1t23 s PHE 6 CO 0.39 -0.96 0.36 0.54 -0.10 0.00 0.00 175.22 175.45 1t23 s VAL 7 N -3.98 0.01 0.20 -0.44 0.11 -1.24 -2.03 120.40 113.03 1t23 s VAL 7 Ca 0.18 -0.07 -0.09 0.00 -2.93 0.00 0.00 61.98 59.07 1t23 s VAL 7 Cb -0.01 -0.54 -0.01 0.00 -1.53 0.00 0.00 36.38 34.30 1t23 s VAL 7 CO 0.05 -0.04 0.34 -0.76 -3.33 0.00 0.00 175.10 171.36 1t23 s LEU 8 N -0.04 0.73 -0.34 2.54 1.02 0.17 -4.26 118.68 118.51 1t23 s LEU 8 Ca -0.02 -0.96 -0.01 0.00 0.02 0.00 0.00 54.13 53.16 1t23 s LEU 8 Cb -0.03 1.30 0.12 0.00 0.02 0.00 0.00 46.19 47.59 1t23 s LEU 8 CO 0.01 -0.98 0.16 0.00 0.02 0.00 0.00 176.35 175.57 1t23 s ARG 9 N -4.01 0.60 0.00 1.70 1.70 0.82 -3.63 118.95 116.13 1t23 s ARG 9 Ca 0.22 -1.14 0.00 0.00 -0.47 0.00 0.00 55.73 54.34 1t23 s ARG 9 Cb 0.02 -1.60 0.00 0.00 -0.57 0.00 0.00 34.95 32.81 1t23 s ARG 9 CO 0.05 -1.09 0.00 -3.47 -1.08 0.00 0.00 175.30 169.71 1t23 n ASP 10 N 4.51 0.00 -1.88 -2.89 2.03 0.15 0.26 116.55 118.73 1t23 n ASP 10 Ca 0.03 0.00 -0.05 0.00 0.52 0.00 0.00 54.79 55.28 1t23 n ASP 10 Cb 0.39 0.00 0.03 0.00 -0.72 0.00 0.00 41.12 40.82 1t23 n ASP 10 CO 0.00 0.00 0.00 1.21 -1.92 0.00 0.00 177.20 176.49 1t23 n GLU 11 N 0.00 -1.62 -0.76 -0.67 4.07 0.25 -2.79 120.64 119.12 1t23 n GLU 11 Ca 0.00 0.28 0.00 0.00 -0.06 0.00 0.00 57.16 57.38 1t23 n GLU 11 Cb 0.00 -3.34 0.00 0.00 -0.06 0.00 0.00 31.44 28.04 1t23 n GLU 11 CO 0.00 0.00 0.00 -0.25 -0.06 0.00 0.00 177.13 176.82 1t23 n ASP 12 N -1.82 -2.14 0.00 4.31 9.92 0.20 -4.83 116.55 122.19 1t23 n ASP 12 Ca -0.07 0.00 0.00 0.00 -0.53 0.00 0.00 54.79 54.19 1t23 n ASP 12 Cb 0.55 -2.36 0.00 0.00 -0.64 0.00 0.00 41.12 38.67 1t23 n ASP 12 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 1t23 n GLY 13 N -1.13 0.29 0.40 0.44 0.00 -1.12 -4.69 105.19 99.39 1t23 n GLY 13 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 1t23 n GLY 13 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1t23 n ASN 14 N -1.41 0.00 -3.57 1.61 5.03 0.71 -4.25 115.26 113.38 1t23 n ASN 14 Ca 0.00 0.00 -0.07 0.00 0.87 0.00 0.00 54.58 55.38 1t23 n ASN 14 Cb 0.00 0.00 -0.03 0.00 -1.02 0.00 0.00 39.78 38.73 1t23 n ASN 14 CO 0.00 0.00 0.00 -1.61 -1.83 0.00 0.00 177.26 173.82 1t23 s GLU 15 N -0.30 0.51 -0.18 3.52 2.02 -0.87 -2.31 118.70 121.10 1t23 s GLU 15 Ca 0.00 -0.04 0.01 0.00 0.02 0.00 0.00 54.97 54.96 1t23 s GLU 15 Cb 0.00 0.24 0.02 0.00 0.10 0.00 0.00 34.13 34.49 1t23 s GLU 15 CO 0.00 -0.19 -0.19 -3.38 0.02 0.00 0.00 175.26 171.51 1t23 s HIS 16 N -1.90 2.78 -0.30 1.61 -3.43 -0.91 0.29 115.29 113.43 1t23 s HIS 16 Ca 0.04 -1.60 -0.16 0.00 -0.80 0.00 0.00 55.06 52.54 1t23 s HIS 16 Cb -0.01 -1.92 0.19 0.00 -1.43 0.00 0.00 32.58 29.41 1t23 s HIS 16 CO -0.04 -0.79 1.19 0.20 -2.00 0.00 0.00 174.74 173.31 1t23 s GLY 17 N 1.27 0.43 -0.38 -1.38 0.00 -1.24 -2.76 107.32 103.26 1t23 s GLY 17 Ca 0.04 3.65 0.00 0.00 0.00 0.00 0.00 44.72 48.42 1t23 s GLY 17 CO -0.12 2.83 0.20 0.14 0.00 0.00 0.00 173.10 176.15 1t23 s VAL 18 N 1.29 0.73 0.01 1.40 1.01 -1.26 -0.66 120.40 122.91 1t23 s VAL 18 Ca -0.07 -1.93 -0.09 0.00 0.00 0.00 0.00 61.98 59.89 1t23 s VAL 18 Cb -0.02 -1.53 0.03 0.00 0.00 0.00 0.00 36.38 34.86 1t23 s VAL 18 CO -0.12 -0.89 0.41 2.22 0.00 0.00 0.00 175.10 176.72 1t23 n PHE 19 N 4.04 -0.35 -4.04 5.22 1.16 -0.86 -4.99 117.46 117.65 1t23 n PHE 19 Ca 0.07 -0.27 -0.35 0.00 -1.87 0.00 0.00 57.45 55.03 1t23 n PHE 19 Cb 0.37 0.13 -0.11 0.00 -1.61 0.00 0.00 39.48 38.25 1t23 n PHE 19 CO 0.00 0.00 0.00 0.95 -1.87 0.00 0.00 176.76 175.84 1t23 s THR 20 N -2.17 4.36 -0.17 1.97 -4.23 -1.26 0.04 115.64 114.20 1t23 s THR 20 Ca 0.10 -0.18 -0.12 0.00 -1.18 0.00 0.00 61.69 60.31 1t23 s THR 20 Cb -0.00 -2.98 -0.05 0.00 1.34 0.00 0.00 72.50 70.81 1t23 s THR 20 CO 0.00 0.43 0.23 -0.83 -0.54 0.00 0.00 174.62 173.91 1t23 s GLY 21 N 0.79 2.16 0.27 3.99 0.00 0.16 -4.63 107.32 110.06 1t23 s GLY 21 Ca 0.02 -0.54 -0.04 0.00 0.00 0.00 0.00 44.72 44.16 1t23 s GLY 21 CO 0.02 0.26 1.94 0.50 0.00 0.00 0.00 173.10 175.82 1t23 h LYS 22 N 6.48 1.19 -4.55 2.90 1.57 -1.87 0.27 116.57 122.57 1t23 h LYS 22 Ca -0.42 -0.07 -0.55 0.00 -1.87 0.00 0.00 60.65 57.74 1t23 h LYS 22 Cb 1.17 -0.27 -0.35 0.00 0.08 0.00 0.00 32.23 32.86 1t23 h LYS 22 CO 0.74 0.79 -0.82 -0.65 -0.57 0.00 0.00 179.45 178.94 1t23 s GLN 23 N -6.02 1.88 0.20 3.15 -0.21 -1.26 -4.60 119.66 112.80 1t23 s GLN 23 Ca -0.12 -0.44 -0.09 0.00 0.02 0.00 0.00 55.36 54.73 1t23 s GLN 23 Cb 0.18 -1.66 0.14 0.00 1.00 0.00 0.00 33.01 32.67 1t23 s GLN 23 CO 0.81 -0.09 1.77 -1.00 -2.12 0.00 0.00 175.29 174.66 1t23 h PRO 24 N 7.49 1.11 0.00 2.91 0.13 -1.96 -1.36 132.00 140.32 1t23 h PRO 24 Ca -0.31 -0.19 0.00 0.00 -0.87 0.00 0.00 66.00 64.63 1t23 h PRO 24 Cb 1.17 -0.18 0.00 0.00 0.13 0.00 0.00 31.00 32.11 1t23 h PRO 24 CO 0.47 0.90 -0.33 -0.09 -0.23 0.00 0.00 178.00 178.72 1t23 h ARG 25 N 1.07 0.00 -0.93 0.86 2.43 -1.96 -2.96 114.38 112.90 1t23 h ARG 25 Ca 0.25 0.00 0.09 0.00 -0.81 0.00 0.00 59.98 59.51 1t23 h ARG 25 Cb 0.19 0.00 -0.07 0.00 -0.42 0.00 0.00 29.97 29.67 1t23 h ARG 25 CO -0.02 0.00 0.58 0.37 -1.51 0.00 0.00 179.97 179.38 1t23 h GLN 26 N -0.88 0.95 0.00 0.20 4.15 -1.59 0.15 115.11 118.09 1t23 h GLN 26 Ca 0.00 -0.06 0.00 0.00 0.77 0.00 0.00 58.65 59.36 1t23 h GLN 26 Cb 0.33 -0.21 0.00 0.00 0.21 0.00 0.00 27.48 27.80 1t23 h GLN 26 CO 0.00 0.63 0.00 0.00 -1.93 0.00 0.00 178.83 177.53 1t23 h ALA 27 N 1.48 1.00 0.68 3.38 0.00 -1.45 -3.29 119.26 121.06 1t23 h ALA 27 Ca 0.44 0.00 -0.03 0.00 0.00 0.00 0.00 54.91 55.31 1t23 h ALA 27 Cb 0.33 0.00 0.01 0.00 0.00 0.00 0.00 17.79 18.13 1t23 h ALA 27 CO -0.23 0.00 -0.33 0.00 0.00 0.00 0.00 179.25 178.70 1t23 h ALA 28 N 2.11 -0.91 -0.60 0.00 0.00 -0.78 0.51 119.26 119.58 1t23 h ALA 28 Ca 0.00 -0.22 0.03 0.00 0.00 0.00 0.00 54.91 54.73 1t23 h ALA 28 Cb 0.94 0.35 -0.04 0.00 0.00 0.00 0.00 17.79 19.04 1t23 h ALA 28 CO 0.00 -0.94 0.36 1.37 0.00 0.00 0.00 179.25 180.04 1t23 h LEU 29 N -1.05 0.58 -0.62 0.00 8.10 -1.62 -2.46 115.31 118.24 1t23 h LEU 29 Ca -0.09 0.01 -0.14 0.00 0.11 0.00 0.00 57.88 57.76 1t23 h LEU 29 Cb 0.73 -0.12 -0.01 0.00 -0.44 0.00 0.00 40.66 40.83 1t23 h LEU 29 CO 0.15 0.40 -0.49 0.50 -4.11 0.00 0.00 178.44 174.90 1t23 h LYS 30 N 0.71 0.50 -0.84 0.17 3.64 -1.61 -3.26 116.57 115.88 1t23 h LYS 30 Ca 0.25 -0.29 0.07 0.00 -1.27 0.00 0.00 60.65 59.41 1t23 h LYS 30 Cb 0.05 0.02 -0.06 0.00 -0.41 0.00 0.00 32.23 31.82 1t23 h LYS 30 CO -0.11 0.88 0.51 0.00 -2.27 0.00 0.00 179.45 178.46 1t23 h ALA 31 N 1.07 1.17 0.00 5.00 0.00 0.51 -1.90 119.26 125.11 1t23 h ALA 31 Ca 0.02 0.00 -0.14 0.00 0.00 0.00 0.00 54.91 54.80 1t23 h ALA 31 Cb 1.00 -0.20 -0.02 0.00 0.00 0.00 0.00 17.79 18.57 1t23 h ALA 31 CO 0.09 0.22 -0.65 0.00 0.00 0.00 0.00 179.25 178.91 1t23 h ALA 32 N 1.42 0.93 -0.95 0.00 0.00 -1.59 -2.03 119.26 117.03 1t23 h ALA 32 Ca 0.38 -0.59 0.25 0.00 0.00 0.00 0.00 54.91 54.95 1t23 h ALA 32 Cb 0.23 -0.10 -0.18 0.00 0.00 0.00 0.00 17.79 17.74 1t23 h ALA 32 CO -0.19 0.81 0.01 -0.97 0.00 0.00 0.00 179.25 178.90 1t23 h ASN 33 N 0.00 -0.48 0.00 0.00 -0.73 -1.38 -3.23 115.58 109.76 1t23 h ASN 33 Ca -0.01 0.27 0.00 0.00 1.87 0.00 0.00 56.30 58.43 1t23 h ASN 33 Cb 1.15 0.47 0.00 0.00 0.27 0.00 0.00 38.32 40.21 1t23 h ASN 33 CO 0.08 -0.32 0.00 0.54 -0.37 0.00 0.00 177.43 177.36 1t23 n ARG 34 N -5.47 0.00 0.00 6.67 5.12 -1.20 -4.91 116.66 116.87 1t23 n ARG 34 Ca 0.21 0.10 0.02 0.00 -1.93 0.00 0.00 57.85 56.25 1t23 n ARG 34 Cb 0.70 -0.45 0.00 0.00 -1.16 0.00 0.00 32.46 31.55 1t23 n ARG 34 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 1t23 n GLY 35 N 2.05 -0.36 0.00 -0.13 0.00 -1.17 -4.65 105.19 100.92 1t23 n GLY 35 Ca 0.00 -0.13 0.14 0.00 0.00 0.00 0.00 46.02 46.03 1t23 n GLY 35 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1t23 n SER 36 N -0.27 0.00 -3.57 1.61 7.64 -0.77 -3.81 113.62 114.44 1t23 n SER 36 Ca 0.02 -0.33 -0.06 0.00 1.01 0.00 0.00 58.87 59.51 1t23 n SER 36 Cb 0.10 -0.21 -0.07 0.00 -1.01 0.00 0.00 64.21 63.01 1t23 n SER 36 CO 0.00 0.00 0.00 -0.83 -3.01 0.00 0.00 175.04 171.20 1t23 s GLY 37 N -2.43 -0.50 0.40 0.23 0.00 -1.23 -2.14 107.32 101.66 1t23 s GLY 37 Ca 0.32 1.62 0.29 0.00 0.00 0.00 0.00 44.72 46.95 1t23 s GLY 37 CO 0.42 2.66 1.86 -0.84 0.00 0.00 0.00 173.10 177.20 1t23 h THR 38 N 6.12 0.00 0.00 0.90 2.02 -1.80 -3.46 112.91 116.70 1t23 h THR 38 Ca -0.17 -0.32 0.00 0.00 0.77 0.00 0.00 66.41 66.69 1t23 h THR 38 Cb 1.12 1.16 0.00 0.00 -1.74 0.00 0.00 68.15 68.68 1t23 h THR 38 CO 0.15 0.00 0.00 0.29 0.37 0.00 0.00 175.52 176.33 1t23 n LYS 39 N -2.63 0.00 0.27 6.66 5.02 -1.26 -3.76 118.16 122.46 1t23 n LYS 39 Ca 0.01 0.00 0.17 0.00 -2.02 0.00 0.00 58.31 56.46 1t23 n LYS 39 Cb 0.24 0.00 0.61 0.00 -0.02 0.00 0.00 35.03 35.86 1t23 n LYS 39 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1t23 h ALA 40 N 0.00 1.00 -1.03 7.82 0.00 -1.98 -3.34 119.26 121.73 1t23 h ALA 40 Ca 0.00 -0.00 -0.38 0.00 0.00 0.00 0.00 54.91 54.53 1t23 h ALA 40 Cb 0.00 -0.00 -0.27 0.00 0.00 0.00 0.00 17.79 17.52 1t23 h ALA 40 CO 0.00 0.00 -0.82 -1.71 0.00 0.00 0.00 179.25 176.72 1t23 n ASN 41 N -3.09 -1.03 -3.31 0.00 4.05 -1.25 -4.95 115.26 105.68 1t23 n ASN 41 Ca 0.01 -3.16 -0.15 0.00 0.45 0.00 0.00 54.58 51.73 1t23 n ASN 41 Cb 0.34 0.59 -0.02 0.00 1.23 0.00 0.00 39.78 41.91 1t23 n ASN 41 CO 0.00 0.00 0.00 -0.81 -3.05 0.00 0.00 177.26 173.40 1t23 n PRO 42 N 0.95 1.32 -1.12 1.20 -0.04 -1.26 0.84 135.00 136.90 1t23 n PRO 42 Ca 0.15 -1.75 0.00 0.00 -0.04 0.00 0.00 63.50 61.86 1t23 n PRO 42 Cb 0.63 0.39 0.00 0.00 -0.04 0.00 0.00 33.50 34.48 1t23 n PRO 42 CO 0.00 0.00 0.00 -3.47 -0.04 0.00 0.00 175.50 171.99 1t23 n ASP 43 N -1.38 0.00 -4.90 3.54 -0.08 -0.98 -3.11 116.55 109.65 1t23 n ASP 43 Ca -0.08 -0.82 -0.32 0.00 -1.51 0.00 0.00 54.79 52.07 1t23 n ASP 43 Cb 0.31 0.00 -0.05 0.00 2.34 0.00 0.00 41.12 43.72 1t23 n ASP 43 CO 0.00 0.00 0.00 0.27 0.12 0.00 0.00 177.20 177.59 1t23 s ILE 44 N -2.64 5.18 -0.20 5.18 -5.25 -1.17 -3.28 121.20 119.02 1t23 s ILE 44 Ca 0.00 0.02 -0.27 0.00 -0.99 0.00 0.00 60.65 59.41 1t23 s ILE 44 Cb 0.00 -3.62 0.09 0.00 2.95 0.00 0.00 42.46 41.88 1t23 s ILE 44 CO 0.00 0.07 0.82 -0.51 -1.79 0.00 0.00 174.94 173.53 1t23 s ILE 45 N -1.63 0.00 -0.81 8.37 1.10 -0.85 -4.21 121.20 123.18 1t23 s ILE 45 Ca 0.40 0.00 -0.23 0.00 -0.51 0.00 0.00 60.65 60.31 1t23 s ILE 45 Cb -0.12 -1.00 0.07 0.00 0.15 0.00 0.00 42.46 41.56 1t23 s ILE 45 CO 0.24 0.00 1.16 -0.13 -2.11 0.00 0.00 174.94 174.10 1t23 s ARG 46 N -0.28 3.34 -0.77 3.50 0.52 -1.26 -2.90 118.95 121.10 1t23 s ARG 46 Ca -0.02 -1.00 -0.25 0.00 -0.52 0.00 0.00 55.73 53.93 1t23 s ARG 46 Cb -0.03 -4.61 -0.03 0.00 0.52 0.00 0.00 34.95 30.80 1t23 s ARG 46 CO 0.02 -1.95 1.89 -1.17 0.02 0.00 0.00 175.30 174.11 1t23 s LEU 47 N 4.22 3.23 0.00 2.53 0.20 0.70 -4.78 118.68 124.78 1t23 s LEU 47 Ca 0.32 -0.21 0.03 0.00 0.69 0.00 0.00 54.13 54.95 1t23 s LEU 47 Cb -0.09 -2.55 -0.01 0.00 -0.43 0.00 0.00 46.19 43.11 1t23 s LEU 47 CO 0.02 -2.53 0.10 -2.11 -0.29 0.00 0.00 176.35 171.54 1t23 n ARG 48 N 9.02 0.72 -3.60 1.98 1.85 -1.26 0.93 116.66 126.30 1t23 n ARG 48 Ca 0.30 -2.68 -0.10 0.00 -1.00 0.00 0.00 57.85 54.37 1t23 n ARG 48 Cb 0.49 1.35 -0.10 0.00 -1.05 0.00 0.00 32.46 33.15 1t23 n ARG 48 CO 0.00 0.00 0.00 -2.00 -0.01 0.00 0.00 177.63 175.62 1t23 s GLU 49 N -3.22 0.27 0.53 2.89 -6.30 -0.37 -3.71 118.70 108.78 1t23 s GLU 49 Ca 0.14 0.82 -0.18 0.00 -2.50 0.00 0.00 54.97 53.25 1t23 s GLU 49 Cb 0.01 0.01 -0.06 0.00 0.00 0.00 0.00 34.13 34.08 1t23 s GLU 49 CO 0.10 -0.35 1.04 1.03 0.02 0.00 0.00 175.26 177.10 1t23 s ARG 50 N 2.53 3.61 0.00 4.30 3.00 -1.26 -3.61 118.95 127.52 1t23 s ARG 50 Ca 0.02 1.27 0.00 0.00 0.00 0.00 0.00 55.73 57.02 1t23 s ARG 50 Cb -0.13 -2.07 0.00 0.00 0.00 0.00 0.00 34.95 32.75 1t23 s ARG 50 CO -0.12 -0.58 0.00 0.41 0.00 0.00 0.00 175.30 175.01 1t23 n GLY 51 N -0.65 2.34 3.44 -3.53 0.00 -1.26 -5.02 105.19 100.51 1t23 n GLY 51 Ca 0.09 -0.23 -0.15 0.00 0.00 0.00 0.00 46.02 45.74 1t23 n GLY 51 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1t23 s THR 52 N -1.93 0.00 -0.89 2.61 -4.23 -1.24 -5.07 115.64 104.89 1t23 s THR 52 Ca 0.00 -1.68 -0.24 0.00 -1.18 0.00 0.00 61.69 58.58 1t23 s THR 52 Cb 0.00 -2.56 0.01 0.00 1.34 0.00 0.00 72.50 71.29 1t23 s THR 52 CO 0.00 0.00 1.64 -0.54 -0.54 0.00 0.00 174.62 175.18 1t23 s LYS 53 N -3.33 3.07 -0.12 3.99 1.02 -1.26 -3.48 119.74 119.63 1t23 s LYS 53 Ca 0.32 -0.52 -0.04 0.00 0.02 0.00 0.00 55.97 55.76 1t23 s LYS 53 Cb 0.01 -4.98 0.06 0.00 -0.52 0.00 0.00 37.83 32.39 1t23 s LYS 53 CO 0.19 -2.66 0.13 0.15 -0.92 0.00 0.00 175.35 172.24 1t23 s LYS 54 N 6.01 0.04 -0.16 1.68 1.02 0.34 -3.30 119.74 125.37 1t23 s LYS 54 Ca 0.55 0.26 -0.21 0.00 0.02 0.00 0.00 55.97 56.59 1t23 s LYS 54 Cb -0.05 -0.96 0.05 0.00 -0.52 0.00 0.00 37.83 36.35 1t23 s LYS 54 CO 0.00 -0.48 0.56 0.08 -0.92 0.00 0.00 175.35 174.58 1t23 s VAL 55 N 2.23 0.01 -0.28 3.17 1.01 -0.57 -1.24 120.40 124.73 1t23 s VAL 55 Ca 0.04 -0.05 -0.16 0.00 0.00 0.00 0.00 61.98 61.80 1t23 s VAL 55 Cb -0.14 -0.81 0.10 0.00 0.00 0.00 0.00 36.38 35.54 1t23 s VAL 55 CO -0.07 -0.03 0.77 -2.28 0.00 0.00 0.00 175.10 173.49 1t23 s HIS 56 N -0.14 -0.92 -0.22 5.22 5.04 0.26 -1.68 115.29 122.84 1t23 s HIS 56 Ca -0.03 1.84 0.01 0.00 -1.54 0.00 0.00 55.06 55.34 1t23 s HIS 56 Cb -0.03 0.55 0.03 0.00 0.04 0.00 0.00 32.58 33.17 1t23 s HIS 56 CO 0.03 -0.46 -0.13 0.08 -2.34 0.00 0.00 174.74 171.92 1t23 s VAL 57 N 1.57 2.37 0.25 0.89 1.01 -0.71 0.25 120.40 126.03 1t23 s VAL 57 Ca -0.10 -1.14 -0.05 0.00 0.00 0.00 0.00 61.98 60.69 1t23 s VAL 57 Cb -0.05 -2.17 0.02 0.00 0.00 0.00 0.00 36.38 34.18 1t23 s VAL 57 CO -0.18 0.28 0.42 0.49 0.00 0.00 0.00 175.10 176.11 1t23 n PHE 58 N 4.59 -1.49 -4.00 5.22 3.72 -1.14 0.13 117.46 124.49 1t23 n PHE 58 Ca -0.18 -1.45 -0.16 0.00 -0.05 0.00 0.00 57.45 55.61 1t23 n PHE 58 Cb 0.47 0.49 -0.15 0.00 -0.94 0.00 0.00 39.48 39.35 1t23 n PHE 58 CO 0.00 0.00 0.00 0.15 -0.05 0.00 0.00 176.76 176.86 1t23 s LYS 59 N -2.33 0.33 -0.26 -1.08 1.02 -0.72 -2.00 119.74 114.70 1t23 s LYS 59 Ca 0.16 -0.02 0.00 0.00 0.02 0.00 0.00 55.97 56.13 1t23 s LYS 59 Cb -0.02 -0.42 0.04 0.00 -0.52 0.00 0.00 37.83 36.92 1t23 s LYS 59 CO 0.11 -0.05 -0.07 0.00 -0.92 0.00 0.00 175.35 174.42 1t23 s ALA 60 N 0.56 2.65 0.00 5.17 0.00 -1.21 -1.70 121.76 127.24 1t23 s ALA 60 Ca -0.06 -1.61 0.00 0.00 0.00 0.00 0.00 51.96 50.29 1t23 s ALA 60 Cb -0.09 -1.67 0.00 0.00 0.00 0.00 0.00 23.12 21.36 1t23 s ALA 60 CO -0.01 -1.01 0.00 0.91 0.00 0.00 0.00 175.76 175.65 1t23 n TRP 61 N 4.58 0.00 -3.87 0.00 8.01 -0.84 -4.18 117.44 121.14 1t23 n TRP 61 Ca -0.15 0.00 -0.30 0.00 -1.31 0.00 0.00 57.50 55.74 1t23 n TRP 61 Cb 0.45 0.00 -0.14 0.00 -2.01 0.00 0.00 31.31 29.61 1t23 n TRP 61 CO 0.00 0.00 0.00 0.21 -1.01 0.00 0.00 177.69 176.89 1t23 s LYS 62 N -0.65 1.64 0.08 -0.99 2.47 -1.26 0.19 119.74 121.22 1t23 s LYS 62 Ca 0.00 -2.28 -0.06 0.00 -1.56 0.00 0.00 55.97 52.08 1t23 s LYS 62 Cb 0.00 -2.92 0.02 0.00 -1.46 0.00 0.00 37.83 33.47 1t23 s LYS 62 CO 0.00 -1.10 0.29 0.39 0.16 0.00 0.00 175.35 175.08 1t23 n GLU 63 N 3.44 0.25 -3.12 4.03 1.02 0.44 -4.81 120.64 121.90 1t23 n GLU 63 Ca 0.06 -0.53 -0.45 0.00 -0.02 0.00 0.00 57.16 56.22 1t23 n GLU 63 Cb 0.34 0.70 -0.04 0.00 -0.02 0.00 0.00 31.44 32.42 1t23 n GLU 63 CO 0.00 0.00 0.00 -1.50 1.18 0.00 0.00 177.13 176.81 1t23 s ILE 64 N -2.53 4.87 0.00 -3.67 2.07 -1.26 0.00 121.20 120.69 1t23 s ILE 64 Ca 0.06 -1.14 0.00 0.00 -1.41 0.00 0.00 60.65 58.16 1t23 s ILE 64 Cb -0.01 -4.51 0.00 0.00 0.13 0.00 0.00 42.46 38.07 1t23 s ILE 64 CO 0.02 -1.14 0.00 1.33 -1.91 0.00 0.00 174.94 173.24 1t23 n VAL 65 N 5.43 0.00 -4.54 4.00 0.24 -1.04 -4.83 118.33 117.59 1t23 n VAL 65 Ca -0.06 0.00 -0.31 0.00 -2.04 0.00 0.00 64.34 61.93 1t23 n VAL 65 Cb 0.43 -0.82 -0.12 0.00 -1.47 0.00 0.00 33.84 31.87 1t23 n VAL 65 CO 0.00 0.00 0.00 -0.62 -2.14 0.00 0.00 176.83 174.07 1t23 s ASP 66 N -0.95 4.12 -0.53 -1.34 -1.08 -0.78 -1.24 116.67 114.87 1t23 s ASP 66 Ca 0.00 -0.34 -0.27 0.00 -0.52 0.00 0.00 52.55 51.42 1t23 s ASP 66 Cb 0.00 -0.77 -0.04 0.00 -1.46 0.00 0.00 42.92 40.65 1t23 s ASP 66 CO 0.00 0.25 2.04 0.00 0.52 0.00 0.00 175.17 177.98 1t23 s ALA 67 N -0.99 2.09 -0.84 3.66 0.00 -0.79 -4.24 121.76 120.65 1t23 s ALA 67 Ca 0.16 -0.30 -0.13 0.00 0.00 0.00 0.00 51.96 51.70 1t23 s ALA 67 Cb -0.11 -4.28 -0.10 0.00 0.00 0.00 0.00 23.12 18.64 1t23 s ALA 67 CO 0.07 -3.91 2.01 -0.35 0.00 0.00 0.00 175.76 173.57 1t23 n PRO 68 N 9.04 1.79 -4.05 0.00 -0.04 -1.26 -4.28 135.00 136.21 1t23 n PRO 68 Ca 0.26 -1.62 -0.32 0.00 -0.04 0.00 0.00 63.50 61.78 1t23 n PRO 68 Cb 0.52 -2.66 0.00 0.00 -0.04 0.00 0.00 33.50 31.33 1t23 n PRO 68 CO 0.00 0.00 0.00 1.63 -0.04 0.00 0.00 175.50 177.09 1t23 n LYS 69 N 5.47 -4.38 0.30 0.54 4.76 -1.26 -4.77 118.16 118.83 1t23 n LYS 69 Ca 0.46 0.49 0.16 0.00 -2.87 0.00 0.00 58.31 56.55 1t23 n LYS 69 Cb 0.25 -5.26 0.83 0.00 -1.84 0.00 0.00 35.03 29.01 1t23 n LYS 69 CO 0.00 0.00 0.00 -0.91 -1.37 0.00 0.00 177.40 175.12 1t23 h ASN 70 N -1.82 0.00 -6.48 4.39 -0.26 -1.92 -3.46 115.58 106.04 1t23 h ASN 70 Ca -0.59 0.00 -0.50 0.00 -0.56 0.00 0.00 56.30 54.65 1t23 h ASN 70 Cb 1.38 0.00 -0.09 0.00 -1.06 0.00 0.00 38.32 38.55 1t23 h ASN 70 CO 0.72 0.00 -0.82 -2.11 -1.06 0.00 0.00 177.43 174.16 1t23 n ARG 71 N -2.76 -4.17 -3.81 0.81 0.00 -1.26 -2.27 116.66 103.20 1t23 n ARG 71 Ca -0.02 0.48 -0.36 0.00 -0.00 0.00 0.00 57.85 57.95 1t23 n ARG 71 Cb 0.27 -5.12 -0.07 0.00 -0.00 0.00 0.00 32.46 27.54 1t23 n ARG 71 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.63 176.38 1t23 s PRO 72 N -6.65 3.80 0.08 2.89 0.04 -1.26 -4.73 135.00 129.17 1t23 s PRO 72 Ca 0.48 -0.18 0.12 0.00 0.04 0.00 0.00 61.00 61.47 1t23 s PRO 72 Cb -0.25 -3.30 -0.17 0.00 0.04 0.00 0.00 34.50 30.82 1t23 s PRO 72 CO 0.88 0.54 1.01 0.00 0.04 0.00 0.00 177.00 179.47 1t23 h ALA 73 N 5.81 0.60 0.12 8.56 0.00 -1.97 -3.36 119.26 129.01 1t23 h ALA 73 Ca -0.48 -1.03 -0.31 0.00 0.00 0.00 0.00 54.91 53.09 1t23 h ALA 73 Cb 1.19 0.15 -0.01 0.00 0.00 0.00 0.00 17.79 19.12 1t23 h ALA 73 CO 0.67 1.22 -1.56 -1.49 0.00 0.00 0.00 179.25 178.08 1t23 h TRP 74 N 0.00 0.45 -1.25 0.00 4.06 -1.98 -3.48 115.95 113.76 1t23 h TRP 74 Ca -0.13 -0.33 0.17 0.00 2.06 0.00 0.00 58.89 60.65 1t23 h TRP 74 Cb 1.77 -0.02 -0.31 0.00 -1.00 0.00 0.00 29.16 29.60 1t23 h TRP 74 CO 0.00 1.40 0.64 1.41 -3.56 0.00 0.00 178.44 178.32 1t23 s MET 75 N -2.61 0.18 0.60 0.49 -2.45 -1.26 -5.18 119.30 109.07 1t23 s MET 75 Ca -0.10 0.29 0.01 0.00 -1.25 0.00 0.00 55.69 54.65 1t23 s MET 75 Cb 0.07 0.05 0.12 0.00 1.25 0.00 0.00 34.83 36.31 1t23 s MET 75 CO 0.85 -0.03 0.82 -0.35 1.05 0.00 0.00 175.02 177.36 1t23 n PRO 76 N 3.00 0.10 -0.11 4.11 -0.04 -1.26 -4.65 135.00 136.15 1t23 n PRO 76 Ca -0.16 -2.35 0.05 0.00 -0.04 0.00 0.00 63.50 60.99 1t23 n PRO 76 Cb 0.57 -0.51 0.15 0.00 -0.04 0.00 0.00 33.50 33.66 1t23 n PRO 76 CO 0.00 0.00 0.00 -1.91 -0.04 0.00 0.00 175.50 173.55 1t23 n GLU 77 N -2.49 1.52 -2.88 0.54 2.13 -1.26 -4.58 120.64 113.62 1t23 n GLU 77 Ca 0.14 -0.81 -0.44 0.00 0.66 0.00 0.00 57.16 56.72 1t23 n GLU 77 Cb 0.50 -1.20 -0.01 0.00 0.27 0.00 0.00 31.44 31.00 1t23 n GLU 77 CO 0.00 0.00 0.00 -1.59 -0.41 0.00 0.00 177.13 175.13 1t23 s LYS 78 N -1.72 3.98 0.00 5.31 -2.85 -1.25 -1.87 119.74 121.34 1t23 s LYS 78 Ca 0.17 -2.32 0.00 0.00 -1.00 0.00 0.00 55.97 52.83 1t23 s LYS 78 Cb 0.09 -5.11 0.00 0.00 -2.06 0.00 0.00 37.83 30.75 1t23 s LYS 78 CO 0.12 -1.85 0.00 1.51 0.10 0.00 0.00 175.35 175.24 1t23 n ILE 79 N 5.08 0.00 -2.47 3.79 0.13 -0.37 -4.78 119.36 120.74 1t23 n ILE 79 Ca 0.36 0.00 -0.42 0.00 -1.10 0.00 0.00 62.75 61.59 1t23 n ILE 79 Cb 0.45 0.00 -0.02 0.00 -0.84 0.00 0.00 39.64 39.22 1t23 n ILE 79 CO 0.00 0.00 0.00 -0.44 2.80 0.00 0.00 176.55 178.91 1t23 s SER 80 N 0.00 6.34 0.00 9.51 0.01 -1.26 -2.51 113.70 125.79 1t23 s SER 80 Ca 0.00 0.37 0.00 0.00 1.31 0.00 0.00 55.95 57.63 1t23 s SER 80 Cb 0.00 -2.55 0.00 0.00 0.21 0.00 0.00 66.02 63.68 1t23 s SER 80 CO 0.00 -1.52 0.00 2.29 0.41 0.00 0.00 173.24 174.42 1t23 n LYS 81 N 8.36 0.00 -2.27 12.44 -0.00 0.10 -4.83 118.16 131.95 1t23 n LYS 81 Ca 0.12 0.00 -0.42 0.00 -0.00 0.00 0.00 58.31 58.01 1t23 n LYS 81 Cb 0.49 0.00 -0.03 0.00 -0.00 0.00 0.00 35.03 35.49 1t23 n LYS 81 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.40 176.15 1t23 s PRO 82 N 1.71 4.27 0.92 -1.58 0.04 -1.25 0.17 135.00 139.28 1t23 s PRO 82 Ca 0.00 1.89 -0.10 0.00 0.04 0.00 0.00 61.00 62.82 1t23 s PRO 82 Cb 0.00 -3.65 0.15 0.00 0.04 0.00 0.00 34.50 31.04 1t23 s PRO 82 CO 0.00 -0.61 1.13 -0.06 0.04 0.00 0.00 177.00 177.50 1t23 s PHE 83 N 2.75 1.71 -0.34 0.56 0.08 0.50 -4.70 117.98 118.55 1t23 s PHE 83 Ca 0.62 1.70 0.05 0.00 0.12 0.00 0.00 56.93 59.42 1t23 s PHE 83 Cb -0.29 -3.28 0.17 0.00 -0.57 0.00 0.00 43.02 39.05 1t23 s PHE 83 CO 0.24 -2.79 0.51 0.08 -0.10 0.00 0.00 175.22 173.16 1t23 s VAL 84 N -2.67 -0.78 0.17 -0.44 1.01 -1.16 -1.99 120.40 114.55 1t23 s VAL 84 Ca 0.66 -0.26 -0.30 0.00 0.00 0.00 0.00 61.98 62.08 1t23 s VAL 84 Cb -0.22 -0.66 -0.08 0.00 0.00 0.00 0.00 36.38 35.42 1t23 s VAL 84 CO 0.58 -0.19 1.26 -0.75 0.00 0.00 0.00 175.10 176.01 1t23 s LYS 85 N 2.23 4.43 -0.74 2.72 2.47 -0.69 -4.69 119.74 125.47 1t23 s LYS 85 Ca 0.13 1.96 -0.13 0.00 -1.56 0.00 0.00 55.97 56.37 1t23 s LYS 85 Cb -0.10 -3.23 0.19 0.00 -1.46 0.00 0.00 37.83 33.23 1t23 s LYS 85 CO -0.18 -0.20 0.66 0.15 0.16 0.00 0.00 175.35 175.93 1t23 s LYS 86 N 0.04 3.31 0.43 4.03 3.01 -1.26 -1.75 119.74 127.54 1t23 s LYS 86 Ca 0.56 -2.31 0.00 0.00 -1.01 0.00 0.00 55.97 53.21 1t23 s LYS 86 Cb -0.34 -4.29 -0.01 0.00 -1.01 0.00 0.00 37.83 32.17 1t23 s LYS 86 CO 0.36 -1.28 0.65 -1.21 0.51 0.00 0.00 175.35 174.38 1t23 s GLU 87 N 0.44 3.15 0.52 1.68 8.01 0.36 -4.97 118.70 127.88 1t23 s GLU 87 Ca 0.15 -0.46 -0.21 0.00 0.01 0.00 0.00 54.97 54.45 1t23 s GLU 87 Cb -0.16 -2.58 -0.07 0.00 -4.31 0.00 0.00 34.13 27.01 1t23 s GLU 87 CO -0.06 -0.19 1.04 0.54 0.01 0.00 0.00 175.26 176.61 1t23 n ARG 88 N -2.02 1.24 -4.23 1.61 1.74 -1.26 -3.77 116.66 109.97 1t23 n ARG 88 Ca 0.00 0.46 -0.20 0.00 -0.77 0.00 0.00 57.85 57.34 1t23 n ARG 88 Cb 0.57 -2.18 -0.12 0.00 -1.02 0.00 0.00 32.46 29.71 1t23 n ARG 88 CO 0.00 0.00 0.00 0.42 -1.52 0.00 0.00 177.63 176.53 1t23 s ILE 89 N -1.38 1.31 0.16 0.55 1.01 -1.26 -1.74 121.20 119.85 1t23 s ILE 89 Ca 0.69 -1.35 -0.09 0.00 0.00 0.00 0.00 60.65 59.90 1t23 s ILE 89 Cb -0.47 -1.22 0.03 0.00 0.01 0.00 0.00 42.46 40.81 1t23 s ILE 89 CO 0.52 -0.14 0.46 1.21 0.00 0.00 0.00 174.94 176.98 1t23 n GLU 90 N 1.29 0.49 -3.81 2.79 0.00 -0.68 -4.94 120.64 115.78 1t23 n GLU 90 Ca -0.20 -1.00 -0.35 0.00 0.00 0.00 0.00 57.16 55.60 1t23 n GLU 90 Cb 0.54 1.28 -0.12 0.00 0.00 0.00 0.00 31.44 33.15 1t23 n GLU 90 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.13 177.28 1t23 s LYS 91 N -2.04 2.05 0.10 5.31 1.02 -1.26 -1.51 119.74 123.41 1t23 s LYS 91 Ca 0.10 -2.04 -0.16 0.00 0.02 0.00 0.00 55.97 53.88 1t23 s LYS 91 Cb -0.02 -3.55 0.06 0.00 -0.52 0.00 0.00 37.83 33.80 1t23 s LYS 91 CO 0.05 -1.08 0.77 1.47 -0.92 0.00 0.00 175.35 175.63 1t23 n LEU 92 N 4.19 0.00 -0.51 3.17 -0.00 -1.21 -4.49 117.00 118.15 1t23 n LEU 92 Ca 0.01 -0.86 0.14 0.00 -0.00 0.00 0.00 56.01 55.30 1t23 n LEU 92 Cb 0.40 1.83 0.50 0.00 -0.00 0.00 0.00 43.42 46.14 1t23 n LEU 92 CO 0.32 -0.29 0.85 -0.62 -0.00 0.00 0.00 177.39 177.65