#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 3.77 0.11 -3.46 4.22 -1.26 -5.13 114.94 113.19 1t23 s ASN 2 Ca 0.00 -0.45 -0.17 0.00 -2.14 0.00 0.00 52.86 50.10 1t23 s ASN 2 Cb 0.00 -0.58 0.04 0.00 1.28 0.00 0.00 41.25 41.99 1t23 s ASN 2 CO 0.00 0.25 0.42 -0.89 -2.04 0.00 0.00 177.10 174.83 1t23 s THR 3 N -0.94 0.06 -0.21 0.54 2.01 -1.26 -4.83 115.64 111.00 1t23 s THR 3 Ca 0.15 -0.52 -0.13 0.00 0.31 0.00 0.00 61.69 61.50 1t23 s THR 3 Cb -0.10 -1.12 -0.05 0.00 0.01 0.00 0.00 72.50 71.24 1t23 s THR 3 CO 0.06 -0.29 0.25 -0.13 -0.69 0.00 0.00 174.62 173.82 1t23 s ARG 4 N -3.52 4.14 -0.17 4.92 3.00 -1.17 -4.85 118.95 121.30 1t23 s ARG 4 Ca 0.01 -0.07 -0.29 0.00 0.00 0.00 0.00 55.73 55.38 1t23 s ARG 4 Cb 0.01 -3.51 -0.01 0.00 0.00 0.00 0.00 34.95 31.44 1t23 s ARG 4 CO -0.10 0.07 1.11 1.21 0.00 0.00 0.00 175.30 177.59 1t23 s ASN 5 N 0.92 7.08 0.38 0.23 3.04 -1.26 -0.00 114.94 125.32 1t23 s ASN 5 Ca 0.12 1.54 0.08 0.00 0.04 0.00 0.00 52.86 54.64 1t23 s ASN 5 Cb -0.14 -2.54 -0.03 0.00 -1.54 0.00 0.00 41.25 37.00 1t23 s ASN 5 CO 0.05 -0.65 0.25 -0.36 -3.04 0.00 0.00 177.10 173.35 1t23 s PHE 6 N 2.97 2.73 -0.02 0.43 0.08 0.15 0.11 117.98 124.42 1t23 s PHE 6 Ca 0.49 -0.44 0.00 0.00 0.12 0.00 0.00 56.93 57.10 1t23 s PHE 6 Cb -0.18 -1.89 0.03 0.00 -0.57 0.00 0.00 43.02 40.41 1t23 s PHE 6 CO 0.12 0.14 0.03 0.14 -0.10 0.00 0.00 175.22 175.55 1t23 s VAL 7 N -2.45 -0.03 0.04 -0.44 -7.23 0.13 -3.43 120.40 106.98 1t23 s VAL 7 Ca 0.42 0.21 -0.27 0.00 -1.81 0.00 0.00 61.98 60.52 1t23 s VAL 7 Cb -0.02 -0.11 0.09 0.00 0.56 0.00 0.00 36.38 36.91 1t23 s VAL 7 CO 0.25 0.10 0.80 -1.48 -0.31 0.00 0.00 175.10 174.46 1t23 s LEU 8 N 1.09 -0.43 -0.11 1.32 2.34 -0.23 -3.66 118.68 119.00 1t23 s LEU 8 Ca -0.09 0.03 -0.04 0.00 0.06 0.00 0.00 54.13 54.09 1t23 s LEU 8 Cb -0.13 2.20 0.05 0.00 -0.56 0.00 0.00 46.19 47.74 1t23 s LEU 8 CO -0.03 -0.71 0.08 -0.60 -1.06 0.00 0.00 176.35 174.03 1t23 s ARG 9 N -3.20 -0.01 0.00 1.48 3.52 0.55 -1.91 118.95 119.38 1t23 s ARG 9 Ca 0.03 0.15 0.00 0.00 -0.13 0.00 0.00 55.73 55.79 1t23 s ARG 9 Cb -0.01 -1.17 0.00 0.00 -1.56 0.00 0.00 34.95 32.21 1t23 s ARG 9 CO -0.09 -0.50 0.00 -3.47 -0.81 0.00 0.00 175.30 170.42 1t23 n ASP 10 N 5.29 0.00 -2.01 -2.12 2.03 -0.87 0.30 116.55 119.18 1t23 n ASP 10 Ca -0.05 0.00 -0.07 0.00 0.52 0.00 0.00 54.79 55.19 1t23 n ASP 10 Cb 0.49 0.00 0.04 0.00 -0.72 0.00 0.00 41.12 40.93 1t23 n ASP 10 CO 0.00 0.00 0.00 -0.62 -1.92 0.00 0.00 177.20 174.66 1t23 n GLU 11 N 0.00 -2.52 -0.79 -0.67 4.71 0.85 -2.70 120.64 119.51 1t23 n GLU 11 Ca 0.00 0.35 0.00 0.00 -0.01 0.00 0.00 57.16 57.50 1t23 n GLU 11 Cb 0.00 -3.81 0.00 0.00 -1.01 0.00 0.00 31.44 26.62 1t23 n GLU 11 CO 0.00 0.00 0.00 -0.25 0.09 0.00 0.00 177.13 176.97 1t23 n ASP 12 N -1.90 -3.79 0.00 1.62 8.00 -0.61 -4.82 116.55 115.06 1t23 n ASP 12 Ca -0.11 0.00 0.00 0.00 0.71 0.00 0.00 54.79 55.39 1t23 n ASP 12 Cb 0.57 -3.04 0.00 0.00 -0.02 0.00 0.00 41.12 38.63 1t23 n ASP 12 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1t23 n GLY 13 N -0.00 0.27 0.00 0.44 0.00 -1.10 -4.72 105.19 100.08 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 -1.38 0.00 -3.64 1.61 4.13 0.89 -4.49 115.26 112.39 1t23 n ASN 14 Ca 0.00 0.00 -0.02 0.00 1.68 0.00 0.00 54.58 56.24 1t23 n ASN 14 Cb 0.00 0.00 -0.06 0.00 -1.54 0.00 0.00 39.78 38.18 1t23 n ASN 14 CO 0.00 0.00 0.00 -1.61 0.28 0.00 0.00 177.26 175.93 1t23 s GLU 15 N 0.00 0.35 -0.20 3.52 2.02 -0.18 -2.74 118.70 121.47 1t23 s GLU 15 Ca 0.00 0.61 -0.28 0.00 0.02 0.00 0.00 54.97 55.32 1t23 s GLU 15 Cb 0.00 0.08 0.00 0.00 0.10 0.00 0.00 34.13 34.31 1t23 s GLU 15 CO 0.00 -0.07 0.98 -3.38 0.02 0.00 0.00 175.26 172.80 1t23 s HIS 16 N 1.33 3.38 -0.30 1.61 -3.43 -1.23 0.20 115.29 116.86 1t23 s HIS 16 Ca -0.09 1.42 -0.18 0.00 -0.80 0.00 0.00 55.06 55.41 1t23 s HIS 16 Cb -0.04 -3.19 0.19 0.00 -1.43 0.00 0.00 32.58 28.12 1t23 s HIS 16 CO -0.14 -0.39 1.22 0.20 -2.00 0.00 0.00 174.74 173.62 1t23 s GLY 17 N 1.20 0.28 -0.40 -1.38 0.00 -0.80 -3.56 107.32 102.65 1t23 s GLY 17 Ca 0.43 3.58 0.02 0.00 0.00 0.00 0.00 44.72 48.75 1t23 s GLY 17 CO 0.09 3.18 0.27 0.14 0.00 0.00 0.00 173.10 176.78 1t23 s VAL 18 N 1.84 0.54 0.00 1.40 1.01 -1.26 -1.07 120.40 122.87 1t23 s VAL 18 Ca -0.02 -2.26 -0.06 0.00 0.00 0.00 0.00 61.98 59.64 1t23 s VAL 18 Cb -0.02 -1.39 0.02 0.00 0.00 0.00 0.00 36.38 34.99 1t23 s VAL 18 CO -0.15 -1.05 0.26 2.22 0.00 0.00 0.00 175.10 176.38 1t23 n PHE 19 N 3.49 -0.30 -4.14 5.22 1.16 -1.22 -5.03 117.46 116.64 1t23 n PHE 19 Ca 0.17 -0.17 -0.27 0.00 -1.87 0.00 0.00 57.45 55.31 1t23 n PHE 19 Cb 0.40 0.08 -0.07 0.00 -1.61 0.00 0.00 39.48 38.28 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 -2.18 4.06 -0.03 1.97 -4.23 -1.26 0.33 115.64 114.29 1t23 s THR 20 Ca 0.06 -1.21 0.01 0.00 -1.18 0.00 0.00 61.69 59.37 1t23 s THR 20 Cb -0.00 -3.03 0.02 0.00 1.34 0.00 0.00 72.50 70.83 1t23 s THR 20 CO 0.00 -0.06 -0.03 -0.83 -0.54 0.00 0.00 174.62 173.16 1t23 s GLY 21 N -2.86 0.34 0.12 3.99 0.00 0.10 -4.83 107.32 104.18 1t23 s GLY 21 Ca 0.28 0.00 -0.22 0.00 0.00 0.00 0.00 44.72 44.79 1t23 s GLY 21 CO 0.20 0.38 1.69 1.70 0.00 0.00 0.00 173.10 177.08 1t23 h LYS 22 N 7.00 -0.09 -4.59 2.90 1.63 -1.88 -3.09 116.57 118.44 1t23 h LYS 22 Ca -0.39 0.01 -0.56 0.00 -0.85 0.00 0.00 60.65 58.86 1t23 h LYS 22 Cb 1.15 0.02 -0.35 0.00 -0.60 0.00 0.00 32.23 32.45 1t23 h LYS 22 CO 0.48 -0.06 -0.82 -0.65 -3.45 0.00 0.00 179.45 174.94 1t23 s GLN 23 N -6.18 1.99 0.56 1.90 -1.52 -1.26 -4.68 119.66 110.47 1t23 s GLN 23 Ca -0.14 -0.47 0.35 0.00 -1.95 0.00 0.00 55.36 53.16 1t23 s GLN 23 Cb 0.09 -1.75 1.58 0.00 -0.22 0.00 0.00 33.01 32.71 1t23 s GLN 23 CO 0.68 -0.10 2.05 -1.00 -0.25 0.00 0.00 175.29 176.67 1t23 h PRO 24 N 7.54 0.00 0.00 2.91 0.13 -1.96 -2.37 132.00 138.24 1t23 h PRO 24 Ca -0.32 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.81 1t23 h PRO 24 Cb 1.16 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.29 1t23 h PRO 24 CO 0.47 0.00 -0.03 0.00 -0.23 0.00 0.00 178.00 178.22 1t23 h ARG 25 N 0.00 0.00 -0.79 0.86 3.08 -1.95 -3.14 114.38 112.43 1t23 h ARG 25 Ca 0.00 0.00 0.03 0.00 0.07 0.00 0.00 59.98 60.08 1t23 h ARG 25 Cb 0.39 0.00 -0.04 0.00 0.08 0.00 0.00 29.97 30.39 1t23 h ARG 25 CO 0.00 0.00 0.52 -0.56 -1.07 0.00 0.00 179.97 178.86 1t23 h GLN 26 N -0.20 0.95 0.00 0.04 3.07 -1.56 -0.57 115.11 116.84 1t23 h GLN 26 Ca 0.00 -0.06 -0.03 0.00 0.09 0.00 0.00 58.65 58.65 1t23 h GLN 26 Cb 0.03 -0.22 -0.00 0.00 0.08 0.00 0.00 27.48 27.37 1t23 h GLN 26 CO 0.00 0.63 -0.14 0.00 0.09 0.00 0.00 178.83 179.41 1t23 h ALA 27 N 1.54 1.05 0.72 0.06 0.00 -1.62 -3.25 119.26 117.76 1t23 h ALA 27 Ca 0.31 -0.13 -0.03 0.00 0.00 0.00 0.00 54.91 55.06 1t23 h ALA 27 Cb 0.03 -0.02 -0.00 0.00 0.00 0.00 0.00 17.79 17.79 1t23 h ALA 27 CO -0.09 0.18 -0.41 0.00 0.00 0.00 0.00 179.25 178.93 1t23 h ALA 28 N 1.86 -1.07 -0.16 0.00 0.00 -1.04 0.58 119.26 119.42 1t23 h ALA 28 Ca -0.00 -0.22 0.04 0.00 0.00 0.00 0.00 54.91 54.72 1t23 h ALA 28 Cb 0.61 0.48 -0.03 0.00 0.00 0.00 0.00 17.79 18.85 1t23 h ALA 28 CO 0.02 -1.11 -0.06 1.37 0.00 0.00 0.00 179.25 179.47 1t23 h LEU 29 N -1.05 -0.21 -0.54 0.00 8.10 -1.61 -2.32 115.31 117.69 1t23 h LEU 29 Ca -0.09 0.06 -0.15 0.00 0.11 0.00 0.00 57.88 57.81 1t23 h LEU 29 Cb 0.83 0.12 -0.01 0.00 -0.44 0.00 0.00 40.66 41.17 1t23 h LEU 29 CO 0.12 -0.08 -0.41 0.50 -4.11 0.00 0.00 178.44 174.46 1t23 h LYS 30 N -0.03 0.73 -0.43 0.17 1.63 -1.60 -3.21 116.57 113.83 1t23 h LYS 30 Ca 0.09 -0.38 -0.01 0.00 -0.85 0.00 0.00 60.65 59.49 1t23 h LYS 30 Cb 0.16 0.01 -0.02 0.00 -0.60 0.00 0.00 32.23 31.78 1t23 h LYS 30 CO -0.19 1.00 0.22 0.00 -3.45 0.00 0.00 179.45 177.04 1t23 h ALA 31 N 0.94 0.56 -0.39 5.00 0.00 0.44 -2.51 119.26 123.31 1t23 h ALA 31 Ca 0.05 -0.10 -0.03 0.00 0.00 0.00 0.00 54.91 54.83 1t23 h ALA 31 Cb 0.96 -0.17 -0.02 0.00 0.00 0.00 0.00 17.79 18.56 1t23 h ALA 31 CO 0.09 0.10 0.12 0.00 0.00 0.00 0.00 179.25 179.56 1t23 h ALA 32 N 1.07 1.49 -0.96 0.00 0.00 -1.49 0.23 119.26 119.58 1t23 h ALA 32 Ca 0.15 -0.14 0.23 0.00 0.00 0.00 0.00 54.91 55.16 1t23 h ALA 32 Cb 0.09 -0.16 -0.18 0.00 0.00 0.00 0.00 17.79 17.53 1t23 h ALA 32 CO -0.02 0.39 -0.09 -0.97 0.00 0.00 0.00 179.25 178.56 1t23 h ASN 33 N 0.55 -0.65 0.00 0.00 -1.24 -1.44 -3.23 115.58 109.57 1t23 h ASN 33 Ca 0.13 0.28 0.00 0.00 0.71 0.00 0.00 56.30 57.42 1t23 h ASN 33 Cb 0.17 0.53 0.00 0.00 0.73 0.00 0.00 38.32 39.75 1t23 h ASN 33 CO -0.01 -0.33 0.00 -1.14 -1.29 0.00 0.00 177.43 174.66 1t23 n ARG 34 N -5.53 0.00 0.00 6.67 3.00 -0.92 -4.91 116.66 114.96 1t23 n ARG 34 Ca 0.19 0.06 0.03 0.00 -0.00 0.00 0.00 57.85 58.13 1t23 n ARG 34 Cb 0.62 -0.46 0.02 0.00 0.00 0.00 0.00 32.46 32.64 1t23 n ARG 34 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.63 178.04 1t23 n GLY 35 N 1.79 -0.66 0.24 5.14 0.00 -0.59 -4.66 105.19 106.45 1t23 n GLY 35 Ca 0.00 -0.19 0.14 0.00 0.00 0.00 0.00 46.02 45.98 1t23 n GLY 35 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 1t23 n SER 36 N 0.18 0.80 -3.57 1.61 2.88 -0.03 -4.10 113.62 111.39 1t23 n SER 36 Ca 0.03 -1.07 -0.00 0.00 -1.33 0.00 0.00 58.87 56.50 1t23 n SER 36 Cb 0.16 -0.01 -0.04 0.00 -0.75 0.00 0.00 64.21 63.57 1t23 n SER 36 CO 0.00 0.00 0.00 -0.83 -1.23 0.00 0.00 175.04 172.98 1t23 s GLY 37 N -2.17 -0.61 0.22 0.46 0.00 -1.23 -3.52 107.32 100.47 1t23 s GLY 37 Ca 0.37 2.50 0.26 0.00 0.00 0.00 0.00 44.72 47.84 1t23 s GLY 37 CO 0.40 3.13 1.71 -0.84 0.00 0.00 0.00 173.10 177.49 1t23 h THR 38 N 5.88 0.00 0.00 0.90 2.02 -1.79 -3.46 112.91 116.46 1t23 h THR 38 Ca -0.18 -0.52 0.00 0.00 0.77 0.00 0.00 66.41 66.48 1t23 h THR 38 Cb 1.11 1.47 0.00 0.00 -1.74 0.00 0.00 68.15 68.98 1t23 h THR 38 CO 0.10 0.00 0.00 1.17 0.37 0.00 0.00 175.52 177.16 1t23 n LYS 39 N -2.31 0.00 0.24 6.66 4.81 -1.26 -4.01 118.16 122.30 1t23 n LYS 39 Ca 0.05 0.00 0.16 0.00 -0.87 0.00 0.00 58.31 57.66 1t23 n LYS 39 Cb 0.44 0.00 0.75 0.00 0.02 0.00 0.00 35.03 36.24 1t23 n LYS 39 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 1t23 h ALA 40 N 0.00 1.00 -0.10 3.14 0.00 -1.99 -3.34 119.26 117.98 1t23 h ALA 40 Ca 0.00 0.00 -0.24 0.00 0.00 0.00 0.00 54.91 54.67 1t23 h ALA 40 Cb 0.00 0.00 -0.15 0.00 0.00 0.00 0.00 17.79 17.64 1t23 h ALA 40 CO 0.00 0.00 -0.51 -1.71 0.00 0.00 0.00 179.25 177.03 1t23 n ASN 41 N -2.77 -2.64 -3.22 0.00 4.05 -1.26 -4.90 115.26 104.53 1t23 n ASN 41 Ca -0.00 -3.37 -0.15 0.00 0.45 0.00 0.00 54.58 51.51 1t23 n ASN 41 Cb 0.20 1.74 -0.03 0.00 1.23 0.00 0.00 39.78 42.92 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 1.35 1.42 -2.05 1.20 -0.04 -1.25 0.29 135.00 135.92 1t23 n PRO 42 Ca 0.09 -1.67 -0.01 0.00 -0.04 0.00 0.00 63.50 61.87 1t23 n PRO 42 Cb 0.64 0.42 0.01 0.00 -0.04 0.00 0.00 33.50 34.53 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 -1.21 -0.54 -4.03 3.54 -0.08 -1.11 -3.01 116.55 110.12 1t23 n ASP 43 Ca -0.09 -1.31 -0.28 0.00 -1.51 0.00 0.00 54.79 51.60 1t23 n ASP 43 Cb 0.29 0.88 -0.17 0.00 2.34 0.00 0.00 41.12 44.46 1t23 n ASP 43 CO 0.00 0.00 0.00 -0.51 0.12 0.00 0.00 177.20 176.81 1t23 s ILE 44 N -2.50 1.41 0.25 5.18 1.10 -1.18 -3.18 121.20 122.28 1t23 s ILE 44 Ca 0.06 -0.58 -0.08 0.00 -0.51 0.00 0.00 60.65 59.54 1t23 s ILE 44 Cb -0.01 -1.31 0.03 0.00 0.15 0.00 0.00 42.46 41.32 1t23 s ILE 44 CO 0.02 0.43 0.47 2.30 -2.11 0.00 0.00 174.94 176.05 1t23 n ILE 45 N 4.35 0.00 -2.77 2.00 -6.64 -1.22 -4.90 119.36 110.18 1t23 n ILE 45 Ca -0.18 -0.77 -0.43 0.00 -1.77 0.00 0.00 62.75 59.60 1t23 n ILE 45 Cb 0.51 0.66 -0.03 0.00 -1.44 0.00 0.00 39.64 39.34 1t23 n ILE 45 CO 0.00 0.00 0.00 -0.13 -1.77 0.00 0.00 176.55 174.65 1t23 s ARG 46 N -2.17 3.39 -0.82 6.28 0.52 -1.26 -3.50 118.95 121.38 1t23 s ARG 46 Ca 0.12 -1.11 -0.25 0.00 -0.52 0.00 0.00 55.73 53.97 1t23 s ARG 46 Cb -0.03 -4.70 -0.01 0.00 0.52 0.00 0.00 34.95 30.74 1t23 s ARG 46 CO 0.09 -1.94 1.71 -1.17 0.02 0.00 0.00 175.30 174.01 1t23 s LEU 47 N 4.07 3.27 0.00 2.53 0.20 0.41 -4.67 118.68 124.49 1t23 s LEU 47 Ca 0.33 -0.52 -0.10 0.00 0.69 0.00 0.00 54.13 54.53 1t23 s LEU 47 Cb -0.08 -2.55 0.15 0.00 -0.43 0.00 0.00 46.19 43.28 1t23 s LEU 47 CO 0.00 -2.24 0.89 -2.11 -0.29 0.00 0.00 176.35 172.60 1t23 n ARG 48 N 9.04 -0.76 -4.15 1.98 1.85 -1.24 0.54 116.66 123.92 1t23 n ARG 48 Ca 0.27 -1.48 -0.10 0.00 -1.00 0.00 0.00 57.85 55.54 1t23 n ARG 48 Cb 0.50 -0.88 -0.10 0.00 -1.05 0.00 0.00 32.46 30.92 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 -4.91 0.81 0.15 2.89 2.12 -1.01 -0.70 118.70 118.05 1t23 s GLU 49 Ca 0.51 -1.34 0.03 0.00 0.36 0.00 0.00 54.97 54.54 1t23 s GLU 49 Cb -0.02 0.02 -0.04 0.00 0.26 0.00 0.00 34.13 34.35 1t23 s GLU 49 CO 0.36 -0.11 0.21 1.03 -0.54 0.00 0.00 175.26 176.21 1t23 s ARG 50 N -3.91 3.20 0.00 4.30 0.52 0.12 -4.35 118.95 118.83 1t23 s ARG 50 Ca 0.14 -0.70 0.00 0.00 -0.52 0.00 0.00 55.73 54.65 1t23 s ARG 50 Cb 0.07 -2.83 0.00 0.00 0.52 0.00 0.00 34.95 32.71 1t23 s ARG 50 CO -0.04 0.51 0.00 0.41 0.02 0.00 0.00 175.30 176.20 1t23 n GLY 51 N -0.39 2.11 0.19 -3.53 0.00 -1.26 -4.53 105.19 97.77 1t23 n GLY 51 Ca -0.07 -0.66 -0.01 0.00 0.00 0.00 0.00 46.02 45.28 1t23 n GLY 51 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1t23 n THR 52 N 0.00 0.00 -3.51 2.61 -2.24 -1.26 -4.98 114.28 104.90 1t23 n THR 52 Ca 0.00 -0.09 -0.42 0.00 -2.27 0.00 0.00 64.05 61.27 1t23 n THR 52 Cb 0.00 -1.06 -0.06 0.00 -2.10 0.00 0.00 70.33 67.12 1t23 n THR 52 CO 0.00 0.00 0.00 -0.75 -0.57 0.00 0.00 175.07 173.75 1t23 s LYS 53 N -2.21 3.08 0.10 -0.78 2.20 -1.21 -4.79 119.74 116.13 1t23 s LYS 53 Ca 0.03 -2.43 0.08 0.00 -0.36 0.00 0.00 55.97 53.29 1t23 s LYS 53 Cb -0.00 -4.10 -0.04 0.00 -1.51 0.00 0.00 37.83 32.18 1t23 s LYS 53 CO 0.02 -1.24 -0.14 0.21 -0.36 0.00 0.00 175.35 173.85 1t23 s LYS 54 N 0.18 2.00 -0.34 4.03 2.20 -1.26 0.15 119.74 126.69 1t23 s LYS 54 Ca 0.16 -1.08 0.02 0.00 -0.36 0.00 0.00 55.97 54.72 1t23 s LYS 54 Cb -0.16 -2.22 0.15 0.00 -1.51 0.00 0.00 37.83 34.09 1t23 s LYS 54 CO -0.06 0.50 0.38 0.08 -0.36 0.00 0.00 175.35 175.89 1t23 s VAL 55 N -1.16 -0.44 -0.12 4.02 1.01 0.20 -2.41 120.40 121.51 1t23 s VAL 55 Ca 0.19 -0.70 -0.29 0.00 0.00 0.00 0.00 61.98 61.18 1t23 s VAL 55 Cb -0.11 -0.76 -0.01 0.00 0.00 0.00 0.00 36.38 35.50 1t23 s VAL 55 CO 0.11 -0.47 1.01 -2.28 0.00 0.00 0.00 175.10 173.48 1t23 s HIS 56 N 1.86 3.49 -0.38 5.22 5.04 0.19 0.21 115.29 130.93 1t23 s HIS 56 Ca 0.14 1.58 -0.07 0.00 -1.54 0.00 0.00 55.06 55.17 1t23 s HIS 56 Cb -0.14 -3.20 0.07 0.00 0.04 0.00 0.00 32.58 29.35 1t23 s HIS 56 CO -0.15 -0.27 0.17 0.08 -2.34 0.00 0.00 174.74 172.23 1t23 s VAL 57 N 2.12 3.82 0.21 0.89 1.01 -1.25 0.15 120.40 127.36 1t23 s VAL 57 Ca 0.48 -1.39 -0.11 0.00 0.00 0.00 0.00 61.98 60.95 1t23 s VAL 57 Cb -0.18 -3.30 -0.00 0.00 0.00 0.00 0.00 36.38 32.89 1t23 s VAL 57 CO 0.17 -0.38 0.39 -0.36 0.00 0.00 0.00 175.10 174.92 1t23 s PHE 58 N 1.36 0.37 -0.18 5.22 0.08 -1.23 0.17 117.98 123.77 1t23 s PHE 58 Ca 0.01 -0.72 0.01 0.00 0.12 0.00 0.00 56.93 56.35 1t23 s PHE 58 Cb -0.21 0.08 0.02 0.00 -0.57 0.00 0.00 43.02 42.34 1t23 s PHE 58 CO 0.01 -0.87 -0.18 0.15 -0.10 0.00 0.00 175.22 174.24 1t23 s LYS 59 N -3.99 2.74 -0.39 0.44 1.02 -0.63 -3.42 119.74 115.51 1t23 s LYS 59 Ca 0.20 -0.81 -0.09 0.00 0.02 0.00 0.00 55.97 55.29 1t23 s LYS 59 Cb 0.01 -2.49 0.06 0.00 -0.52 0.00 0.00 37.83 34.89 1t23 s LYS 59 CO 0.05 -0.25 0.21 0.00 -0.92 0.00 0.00 175.35 174.44 1t23 s ALA 60 N 1.32 3.24 0.00 5.17 0.00 -1.19 -1.80 121.76 128.50 1t23 s ALA 60 Ca 0.04 -1.95 0.00 0.00 0.00 0.00 0.00 51.96 50.05 1t23 s ALA 60 Cb -0.14 -2.56 0.00 0.00 0.00 0.00 0.00 23.12 20.43 1t23 s ALA 60 CO -0.12 -1.52 0.00 0.91 0.00 0.00 0.00 175.76 175.04 1t23 n TRP 61 N 4.92 0.00 -3.85 0.00 8.01 -0.60 -4.11 117.44 121.80 1t23 n TRP 61 Ca -0.11 0.00 -0.29 0.00 -1.31 0.00 0.00 57.50 55.79 1t23 n TRP 61 Cb 0.44 0.00 -0.13 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 -0.84 1.92 0.27 -0.99 2.20 -1.26 0.13 119.74 121.16 1t23 s LYS 62 Ca 0.00 -2.68 -0.21 0.00 -0.36 0.00 0.00 55.97 52.72 1t23 s LYS 62 Cb 0.00 -3.03 0.03 0.00 -1.51 0.00 0.00 37.83 33.32 1t23 s LYS 62 CO 0.00 -1.19 0.77 -1.21 -0.36 0.00 0.00 175.35 173.36 1t23 s GLU 63 N -0.48 1.74 -0.78 4.03 8.01 0.56 -4.82 118.70 126.97 1t23 s GLU 63 Ca 0.20 -0.99 -0.26 0.00 0.01 0.00 0.00 54.97 53.94 1t23 s GLU 63 Cb -0.18 0.58 0.02 0.00 -4.31 0.00 0.00 34.13 30.24 1t23 s GLU 63 CO -0.06 -0.80 1.40 -1.50 0.01 0.00 0.00 175.26 174.31 1t23 s ILE 64 N -3.61 3.70 0.00 -1.63 2.07 -1.26 -1.84 121.20 118.64 1t23 s ILE 64 Ca 0.12 0.17 0.00 0.00 -1.41 0.00 0.00 60.65 59.53 1t23 s ILE 64 Cb -0.05 -4.80 0.00 0.00 0.13 0.00 0.00 42.46 37.74 1t23 s ILE 64 CO 0.07 -1.73 0.00 1.33 -1.91 0.00 0.00 174.94 172.69 1t23 n VAL 65 N 6.61 0.00 -5.23 4.00 0.24 -0.81 -4.78 118.33 118.35 1t23 n VAL 65 Ca 0.11 0.00 -0.32 0.00 -2.04 0.00 0.00 64.34 62.09 1t23 n VAL 65 Cb 0.50 -1.51 -0.16 0.00 -1.47 0.00 0.00 33.84 31.19 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 -1.00 3.13 -0.53 -1.34 -1.08 0.21 -1.44 116.67 114.61 1t23 s ASP 66 Ca 0.00 -0.51 -0.27 0.00 -0.52 0.00 0.00 52.55 51.25 1t23 s ASP 66 Cb 0.00 -1.02 -0.04 0.00 -1.46 0.00 0.00 42.92 40.40 1t23 s ASP 66 CO 0.00 0.22 2.05 0.00 0.52 0.00 0.00 175.17 177.97 1t23 s ALA 67 N -0.03 2.07 0.65 3.66 0.00 -0.67 -4.24 121.76 123.21 1t23 s ALA 67 Ca -0.08 -0.29 0.00 0.00 0.00 0.00 0.00 51.96 51.60 1t23 s ALA 67 Cb -0.15 -4.28 0.00 0.00 0.00 0.00 0.00 23.12 18.69 1t23 s ALA 67 CO 0.05 -3.93 0.00 -0.35 0.00 0.00 0.00 175.76 171.53 1t23 n PRO 68 N 9.04 0.80 -0.71 0.00 -0.04 -1.26 -4.65 135.00 138.17 1t23 n PRO 68 Ca 0.26 0.00 -0.23 0.00 -0.04 0.00 0.00 63.50 63.49 1t23 n PRO 68 Cb 0.52 0.00 -0.02 0.00 -0.04 0.00 0.00 33.50 33.96 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 -0.67 1.67 0.00 0.54 4.76 -1.26 -4.24 118.16 118.97 1t23 n LYS 69 Ca 0.00 -1.39 0.09 0.00 -2.87 0.00 0.00 58.31 54.14 1t23 n LYS 69 Cb 0.00 -2.48 -0.10 0.00 -1.84 0.00 0.00 35.03 30.62 1t23 n LYS 69 CO 0.00 0.00 0.00 0.09 -1.37 0.00 0.00 177.40 176.12 1t23 n ASN 70 N 5.00 1.04 -3.69 4.39 4.13 -1.26 -5.00 115.26 119.87 1t23 n ASN 70 Ca 0.40 -1.02 -0.24 0.00 1.68 0.00 0.00 54.58 55.40 1t23 n ASN 70 Cb 0.17 0.94 0.05 0.00 -1.54 0.00 0.00 39.78 39.40 1t23 n ASN 70 CO 0.00 0.00 0.00 -2.11 0.28 0.00 0.00 177.26 175.43 1t23 n ARG 71 N -1.28 -6.29 -3.09 3.52 0.00 -1.26 -2.23 116.66 106.02 1t23 n ARG 71 Ca 0.04 0.71 -0.45 0.00 -0.00 0.00 0.00 57.85 58.16 1t23 n ARG 71 Cb 0.32 -5.60 -0.04 0.00 -0.00 0.00 0.00 32.46 27.14 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 -6.17 3.11 0.37 2.89 0.04 -1.26 -4.67 135.00 129.31 1t23 s PRO 72 Ca 0.38 -1.35 0.24 0.00 0.04 0.00 0.00 61.00 60.30 1t23 s PRO 72 Cb -0.18 -4.31 0.50 0.00 0.04 0.00 0.00 34.50 30.55 1t23 s PRO 72 CO 0.78 -1.57 1.67 0.00 0.04 0.00 0.00 177.00 177.91 1t23 h ALA 73 N 9.14 1.00 0.20 8.56 0.00 -1.96 -3.28 119.26 132.92 1t23 h ALA 73 Ca -0.25 0.00 -0.31 0.00 0.00 0.00 0.00 54.91 54.35 1t23 h ALA 73 Cb 1.08 0.00 0.02 0.00 0.00 0.00 0.00 17.79 18.89 1t23 h ALA 73 CO 1.10 0.00 -1.40 -1.49 0.00 0.00 0.00 179.25 177.46 1t23 h TRP 74 N 0.00 0.77 -1.33 0.00 6.55 -1.97 -3.46 115.95 116.50 1t23 h TRP 74 Ca 0.00 -0.56 0.14 0.00 0.95 0.00 0.00 58.89 59.42 1t23 h TRP 74 Cb 0.91 -0.03 -0.24 0.00 -0.86 0.00 0.00 29.16 28.94 1t23 h TRP 74 CO 0.00 1.45 0.19 1.41 -1.05 0.00 0.00 178.44 180.44 1t23 s MET 75 N -2.62 0.38 0.94 0.49 1.75 -1.24 -5.18 119.30 113.82 1t23 s MET 75 Ca -0.07 0.87 -0.14 0.00 -1.25 0.00 0.00 55.69 55.09 1t23 s MET 75 Cb 0.05 0.43 0.21 0.00 2.84 0.00 0.00 34.83 38.36 1t23 s MET 75 CO 0.92 -0.12 1.28 -0.35 -0.65 0.00 0.00 175.02 176.10 1t23 n PRO 76 N 4.76 -1.12 -0.26 4.11 -0.04 -1.25 -4.73 135.00 136.47 1t23 n PRO 76 Ca -0.12 -2.16 0.07 0.00 -0.04 0.00 0.00 63.50 61.25 1t23 n PRO 76 Cb 0.53 -1.26 0.21 0.00 -0.04 0.00 0.00 33.50 32.94 1t23 n PRO 76 CO 0.00 0.00 0.00 0.39 -0.04 0.00 0.00 175.50 175.85 1t23 n GLU 77 N -3.67 2.19 -3.05 0.54 1.02 -1.26 -4.63 120.64 111.78 1t23 n GLU 77 Ca 0.17 -1.67 -0.44 0.00 -0.02 0.00 0.00 57.16 55.19 1t23 n GLU 77 Cb 0.58 -1.42 -0.01 0.00 -0.02 0.00 0.00 31.44 30.58 1t23 n GLU 77 CO 0.00 0.00 0.00 0.21 1.18 0.00 0.00 177.13 178.52 1t23 s LYS 78 N -1.46 3.98 -0.20 3.49 2.36 -1.25 -0.62 119.74 126.04 1t23 s LYS 78 Ca 0.31 -2.54 -0.36 0.00 -2.55 0.00 0.00 55.97 50.83 1t23 s LYS 78 Cb 0.17 -4.89 0.14 0.00 -1.05 0.00 0.00 37.83 32.20 1t23 s LYS 78 CO 0.20 -1.63 1.28 -1.50 1.55 0.00 0.00 175.35 175.25 1t23 s ILE 79 N 1.12 0.00 -0.55 5.43 1.10 -0.52 -4.76 121.20 123.02 1t23 s ILE 79 Ca 0.37 -0.02 -0.28 0.00 -0.51 0.00 0.00 60.65 60.20 1t23 s ILE 79 Cb -0.05 -1.16 0.01 0.00 0.15 0.00 0.00 42.46 41.41 1t23 s ILE 79 CO -0.04 0.00 1.49 -0.94 -2.11 0.00 0.00 174.94 173.34 1t23 s SER 80 N -2.25 6.03 0.00 4.50 1.04 -1.26 -1.93 113.70 119.82 1t23 s SER 80 Ca 0.11 0.37 0.00 0.00 0.48 0.00 0.00 55.95 56.91 1t23 s SER 80 Cb 0.00 -2.54 0.00 0.00 0.10 0.00 0.00 66.02 63.58 1t23 s SER 80 CO -0.04 -1.77 0.00 2.29 0.98 0.00 0.00 173.24 174.70 1t23 n LYS 81 N 8.69 0.00 -2.44 4.02 2.85 -0.77 -4.80 118.16 125.72 1t23 n LYS 81 Ca 0.14 0.00 -0.42 0.00 -1.05 0.00 0.00 58.31 56.98 1t23 n LYS 81 Cb 0.49 0.00 -0.03 0.00 -0.65 0.00 0.00 35.03 34.84 1t23 n LYS 81 CO 0.00 0.00 0.00 -1.25 -0.05 0.00 0.00 177.40 176.10 1t23 s PRO 82 N 1.74 4.39 0.85 -1.58 0.04 -1.25 0.21 135.00 139.40 1t23 s PRO 82 Ca 0.00 1.72 -0.10 0.00 0.04 0.00 0.00 61.00 62.66 1t23 s PRO 82 Cb 0.00 -3.47 0.10 0.00 0.04 0.00 0.00 34.50 31.17 1t23 s PRO 82 CO 0.00 -0.36 1.12 -0.06 0.04 0.00 0.00 177.00 177.74 1t23 s PHE 83 N 1.72 2.09 -0.37 0.56 0.08 0.34 -4.69 117.98 117.72 1t23 s PHE 83 Ca 0.57 1.66 0.05 0.00 0.12 0.00 0.00 56.93 59.34 1t23 s PHE 83 Cb -0.27 -3.19 0.17 0.00 -0.57 0.00 0.00 43.02 39.16 1t23 s PHE 83 CO 0.25 -2.32 0.50 0.08 -0.10 0.00 0.00 175.22 173.63 1t23 s VAL 84 N -2.78 -0.71 -0.14 -0.44 1.01 -1.05 -1.55 120.40 114.73 1t23 s VAL 84 Ca 0.64 -0.39 -0.29 0.00 0.00 0.00 0.00 61.98 61.94 1t23 s VAL 84 Cb -0.20 -0.49 -0.01 0.00 0.00 0.00 0.00 36.38 35.68 1t23 s VAL 84 CO 0.57 -0.25 1.14 -0.75 0.00 0.00 0.00 175.10 175.81 1t23 s LYS 85 N 1.91 4.31 -0.91 2.72 2.20 -0.74 -4.70 119.74 124.52 1t23 s LYS 85 Ca 0.15 1.53 -0.21 0.00 -0.36 0.00 0.00 55.97 57.07 1t23 s LYS 85 Cb -0.10 -3.64 0.09 0.00 -1.51 0.00 0.00 37.83 32.67 1t23 s LYS 85 CO -0.11 -0.55 1.23 -1.59 -0.36 0.00 0.00 175.35 173.97 1t23 s LYS 86 N 2.81 3.49 0.35 4.03 0.00 -1.26 -1.60 119.74 127.56 1t23 s LYS 86 Ca 0.51 -1.29 -0.09 0.00 0.00 0.00 0.00 55.97 55.10 1t23 s LYS 86 Cb -0.20 -4.92 -0.06 0.00 0.00 0.00 0.00 37.83 32.65 1t23 s LYS 86 CO 0.15 -1.96 0.68 -1.21 0.00 0.00 0.00 175.35 173.00 1t23 s GLU 87 N 3.92 3.75 -0.29 1.78 0.41 0.45 -4.95 118.70 123.76 1t23 s GLU 87 Ca 0.36 0.32 -0.34 0.00 -0.41 0.00 0.00 54.97 54.90 1t23 s GLU 87 Cb -0.05 -2.50 -0.10 0.00 -1.78 0.00 0.00 34.13 29.70 1t23 s GLU 87 CO -0.05 0.09 2.16 -2.13 -0.49 0.00 0.00 175.26 174.84 1t23 n ARG 88 N -1.01 1.38 -2.95 1.61 3.00 -1.26 -3.74 116.66 113.69 1t23 n ARG 88 Ca 0.01 0.39 -0.40 0.00 -0.00 0.00 0.00 57.85 57.85 1t23 n ARG 88 Cb 0.54 -2.65 -0.04 0.00 0.00 0.00 0.00 32.46 30.30 1t23 n ARG 88 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.63 178.05 1t23 s ILE 89 N 7.20 4.89 0.11 5.15 1.01 -1.26 -4.22 121.20 134.08 1t23 s ILE 89 Ca 1.06 1.64 0.02 0.00 0.00 0.00 0.00 60.65 63.37 1t23 s ILE 89 Cb -0.72 -4.13 -0.04 0.00 0.01 0.00 0.00 42.46 37.58 1t23 s ILE 89 CO 0.46 0.28 0.20 -0.70 0.00 0.00 0.00 174.94 175.18 1t23 s GLU 90 N 0.51 3.26 -0.34 2.79 2.12 0.13 -4.92 118.70 122.25 1t23 s GLU 90 Ca 0.41 -0.60 0.03 0.00 0.36 0.00 0.00 54.97 55.17 1t23 s GLU 90 Cb -0.19 -2.90 0.19 0.00 0.26 0.00 0.00 34.13 31.48 1t23 s GLU 90 CO 0.22 0.56 0.71 -1.59 -0.54 0.00 0.00 175.26 174.62 1t23 s LYS 91 N -2.81 0.56 -0.30 4.30 -2.85 -1.24 0.62 119.74 118.03 1t23 s LYS 91 Ca 0.33 0.13 -0.15 0.00 -1.00 0.00 0.00 55.97 55.28 1t23 s LYS 91 Cb -0.12 0.15 0.16 0.00 -2.06 0.00 0.00 37.83 35.96 1t23 s LYS 91 CO 0.26 -0.91 0.99 -0.48 0.10 0.00 0.00 175.35 175.32 1t23 s LEU 92 N 2.39 -0.53 0.00 2.77 0.05 0.40 -4.92 118.68 118.83 1t23 s LEU 92 Ca 0.15 0.78 0.32 0.00 0.05 0.00 0.00 54.13 55.42 1t23 s LEU 92 Cb -0.05 1.67 1.84 0.00 -2.05 0.00 0.00 46.19 47.60 1t23 s LEU 92 CO -0.17 -0.11 2.19 1.21 -0.55 0.00 0.00 176.35 178.91