#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 -0.80 0.48 6.43 3.84 -1.26 -5.16 114.94 118.46 1t23 s ASN 2 Ca 0.00 1.46 -0.19 0.00 0.21 0.00 0.00 52.86 54.34 1t23 s ASN 2 Cb 0.00 1.44 -0.09 0.00 -0.55 0.00 0.00 41.25 42.04 1t23 s ASN 2 CO 0.00 -0.24 0.98 0.42 -2.79 0.00 0.00 177.10 175.46 1t23 s THR 3 N 0.75 4.36 -0.10 -5.21 -4.23 -1.26 -4.81 115.64 105.13 1t23 s THR 3 Ca -0.03 1.32 -0.25 0.00 -1.18 0.00 0.00 61.69 61.54 1t23 s THR 3 Cb -0.05 -3.62 -0.03 0.00 1.34 0.00 0.00 72.50 70.14 1t23 s THR 3 CO -0.05 -0.46 0.81 -0.13 -0.54 0.00 0.00 174.62 174.24 1t23 s ARG 4 N -3.58 4.40 0.22 3.99 3.00 0.11 -4.57 118.95 122.52 1t23 s ARG 4 Ca 0.61 1.04 -0.30 0.00 0.00 0.00 0.00 55.73 57.08 1t23 s ARG 4 Cb -0.10 -3.51 -0.09 0.00 0.00 0.00 0.00 34.95 31.25 1t23 s ARG 4 CO 0.22 -0.13 1.12 1.21 0.00 0.00 0.00 175.30 177.72 1t23 s ASN 5 N 1.00 7.23 0.01 0.23 2.47 -1.26 0.34 114.94 124.95 1t23 s ASN 5 Ca 0.40 2.20 -0.08 0.00 0.42 0.00 0.00 52.86 55.81 1t23 s ASN 5 Cb -0.18 -2.61 0.00 0.00 -1.45 0.00 0.00 41.25 37.01 1t23 s ASN 5 CO 0.17 -0.22 0.15 -0.36 -3.72 0.00 0.00 177.10 173.12 1t23 s PHE 6 N -0.61 0.05 0.04 0.43 0.08 0.11 -4.62 117.98 113.47 1t23 s PHE 6 Ca 0.48 -0.18 0.05 0.00 0.12 0.00 0.00 56.93 57.39 1t23 s PHE 6 Cb -0.31 -0.05 -0.04 0.00 -0.57 0.00 0.00 43.02 42.05 1t23 s PHE 6 CO 0.38 -0.32 -0.07 0.14 -0.10 0.00 0.00 175.22 175.26 1t23 s VAL 7 N -1.67 3.61 -0.09 -0.44 -7.23 0.77 -3.02 120.40 112.33 1t23 s VAL 7 Ca -0.13 -0.94 -0.17 0.00 -1.81 0.00 0.00 61.98 58.93 1t23 s VAL 7 Cb -0.06 -2.62 0.04 0.00 0.56 0.00 0.00 36.38 34.30 1t23 s VAL 7 CO 0.00 0.28 0.43 -0.76 -0.31 0.00 0.00 175.10 174.74 1t23 s LEU 8 N -1.75 0.38 -0.39 1.32 1.02 0.12 -3.94 118.68 115.45 1t23 s LEU 8 Ca 0.19 0.57 0.01 0.00 0.02 0.00 0.00 54.13 54.92 1t23 s LEU 8 Cb -0.11 1.56 0.13 0.00 0.02 0.00 0.00 46.19 47.79 1t23 s LEU 8 CO 0.11 -0.33 0.21 -0.60 0.02 0.00 0.00 176.35 175.76 1t23 s ARG 9 N -0.54 0.90 0.00 1.70 3.52 0.82 -3.27 118.95 122.08 1t23 s ARG 9 Ca -0.07 -1.58 0.00 0.00 -0.13 0.00 0.00 55.73 53.95 1t23 s ARG 9 Cb -0.03 -1.87 0.00 0.00 -1.56 0.00 0.00 34.95 31.49 1t23 s ARG 9 CO 0.03 -1.15 0.00 -3.47 -0.81 0.00 0.00 175.30 169.90 1t23 n ASP 10 N 3.96 0.00 -2.00 -2.12 2.03 0.18 0.35 116.55 118.94 1t23 n ASP 10 Ca 0.08 0.00 -0.06 0.00 0.52 0.00 0.00 54.79 55.33 1t23 n ASP 10 Cb 0.37 0.00 0.03 0.00 -0.72 0.00 0.00 41.12 40.80 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 -2.14 -0.86 -0.67 1.02 0.82 -2.91 120.64 115.89 1t23 n GLU 11 Ca 0.00 0.33 0.00 0.00 -0.02 0.00 0.00 57.16 57.47 1t23 n GLU 11 Cb 0.00 -3.65 0.00 0.00 -0.02 0.00 0.00 31.44 27.77 1t23 n GLU 11 CO 0.00 0.00 0.00 -0.25 1.18 0.00 0.00 177.13 178.06 1t23 n ASP 12 N -1.92 -4.01 0.00 1.62 8.00 -0.25 -4.83 116.55 115.16 1t23 n ASP 12 Ca -0.09 0.00 0.00 0.00 0.71 0.00 0.00 54.79 55.41 1t23 n ASP 12 Cb 0.56 -3.01 0.00 0.00 -0.02 0.00 0.00 41.12 38.65 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 -0.10 0.12 0.41 0.44 0.00 -1.15 -4.65 105.19 100.25 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 -1.58 0.00 -3.57 1.61 5.03 1.07 -4.10 115.26 113.72 1t23 n ASN 14 Ca 0.00 0.00 -0.10 0.00 0.87 0.00 0.00 54.58 55.35 1t23 n ASN 14 Cb 0.00 0.00 -0.05 0.00 -1.02 0.00 0.00 39.78 38.71 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 -0.32 0.58 -0.30 3.52 2.02 -0.86 -2.01 118.70 121.34 1t23 s GLU 15 Ca 0.00 0.08 -0.12 0.00 0.02 0.00 0.00 54.97 54.95 1t23 s GLU 15 Cb 0.00 0.27 -0.04 0.00 0.10 0.00 0.00 34.13 34.47 1t23 s GLU 15 CO 0.00 -0.19 0.24 -3.38 0.02 0.00 0.00 175.26 171.95 1t23 s HIS 16 N -1.36 3.22 0.00 1.61 -3.43 -1.19 0.29 115.29 114.43 1t23 s HIS 16 Ca -0.00 0.09 0.00 0.00 -0.80 0.00 0.00 55.06 54.34 1t23 s HIS 16 Cb -0.01 -2.45 0.00 0.00 -1.43 0.00 0.00 32.58 28.69 1t23 s HIS 16 CO -0.00 -0.23 0.00 0.41 -2.00 0.00 0.00 174.74 172.92 1t23 n GLY 17 N 5.00 1.53 2.52 -1.38 0.00 -1.20 -3.67 105.19 107.99 1t23 n GLY 17 Ca -0.12 0.23 -0.29 0.00 0.00 0.00 0.00 46.02 45.84 1t23 n GLY 17 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1t23 s VAL 18 N -0.21 0.62 0.02 1.61 1.01 -1.26 -0.70 120.40 121.49 1t23 s VAL 18 Ca 0.00 -2.28 -0.06 0.00 0.00 0.00 0.00 61.98 59.64 1t23 s VAL 18 Cb 0.00 -1.44 0.02 0.00 0.00 0.00 0.00 36.38 34.96 1t23 s VAL 18 CO 0.00 -1.04 0.26 2.22 0.00 0.00 0.00 175.10 176.55 1t23 n PHE 19 N 3.50 -0.49 -4.15 5.22 1.16 -1.17 -5.03 117.46 116.50 1t23 n PHE 19 Ca 0.16 -0.23 -0.23 0.00 -1.87 0.00 0.00 57.45 55.28 1t23 n PHE 19 Cb 0.39 0.11 -0.05 0.00 -1.61 0.00 0.00 39.48 38.32 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 -2.30 4.20 -0.05 1.97 -4.23 -1.26 -0.72 115.64 113.26 1t23 s THR 20 Ca 0.06 -1.44 0.02 0.00 -1.18 0.00 0.00 61.69 59.15 1t23 s THR 20 Cb -0.00 -3.23 0.01 0.00 1.34 0.00 0.00 72.50 70.62 1t23 s THR 20 CO 0.01 -0.28 -0.10 -0.83 -0.54 0.00 0.00 174.62 172.87 1t23 s GLY 21 N -3.58 0.66 0.12 3.99 0.00 0.15 -4.77 107.32 103.90 1t23 s GLY 21 Ca 0.32 -0.31 -0.20 0.00 0.00 0.00 0.00 44.72 44.53 1t23 s GLY 21 CO 0.23 0.16 1.74 1.70 0.00 0.00 0.00 173.10 176.93 1t23 h LYS 22 N 6.91 0.28 -4.89 2.90 3.64 -1.87 0.31 116.57 123.85 1t23 h LYS 22 Ca -0.33 -0.03 -0.67 0.00 -1.27 0.00 0.00 60.65 58.35 1t23 h LYS 22 Cb 1.18 -0.06 -0.33 0.00 -0.41 0.00 0.00 32.23 32.61 1t23 h LYS 22 CO 0.48 0.23 -0.75 -0.65 -2.27 0.00 0.00 179.45 176.49 1t23 s GLN 23 N -6.01 2.73 0.29 1.90 -1.52 -1.26 -4.58 119.66 111.21 1t23 s GLN 23 Ca -0.13 -1.05 0.01 0.00 -1.95 0.00 0.00 55.36 52.24 1t23 s GLN 23 Cb 0.08 -2.99 0.44 0.00 -0.22 0.00 0.00 33.01 30.32 1t23 s GLN 23 CO 0.70 -0.44 1.80 -1.00 -0.25 0.00 0.00 175.29 176.09 1t23 h PRO 24 N 7.99 0.67 0.00 2.91 0.13 -1.96 -0.01 132.00 141.72 1t23 h PRO 24 Ca -0.30 -0.17 0.00 0.00 -0.87 0.00 0.00 66.00 64.66 1t23 h PRO 24 Cb 1.10 -0.08 0.00 0.00 0.13 0.00 0.00 31.00 32.14 1t23 h PRO 24 CO 0.56 0.70 -0.11 0.00 -0.23 0.00 0.00 178.00 178.92 1t23 h ARG 25 N 0.63 0.00 -0.87 0.86 3.08 -1.94 -3.08 114.38 113.05 1t23 h ARG 25 Ca 0.12 0.00 0.13 0.00 0.07 0.00 0.00 59.98 60.30 1t23 h ARG 25 Cb 0.43 0.00 -0.09 0.00 0.08 0.00 0.00 29.97 30.39 1t23 h ARG 25 CO 0.02 0.00 0.49 0.37 -1.07 0.00 0.00 179.97 179.78 1t23 h GLN 26 N -0.71 0.72 0.00 0.04 4.15 -1.38 0.14 115.11 118.07 1t23 h GLN 26 Ca 0.00 -0.04 0.00 0.00 0.77 0.00 0.00 58.65 59.38 1t23 h GLN 26 Cb 0.11 -0.16 0.00 0.00 0.21 0.00 0.00 27.48 27.64 1t23 h GLN 26 CO 0.00 0.47 0.00 0.00 -1.93 0.00 0.00 178.83 177.37 1t23 h ALA 27 N 1.53 1.00 0.16 3.38 0.00 -1.17 -3.24 119.26 120.91 1t23 h ALA 27 Ca 0.45 0.00 -0.01 0.00 0.00 0.00 0.00 54.91 55.36 1t23 h ALA 27 Cb 0.55 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.34 1t23 h ALA 27 CO -0.31 0.00 -0.08 0.00 0.00 0.00 0.00 179.25 178.86 1t23 h ALA 28 N 2.31 -0.21 0.04 0.00 0.00 -0.61 0.57 119.26 121.36 1t23 h ALA 28 Ca 0.00 -0.12 -0.00 0.00 0.00 0.00 0.00 54.91 54.79 1t23 h ALA 28 Cb 0.57 0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.44 1t23 h ALA 28 CO 0.00 -0.53 -0.02 -0.07 0.00 0.00 0.00 179.25 178.63 1t23 h LEU 29 N -0.39 -0.05 -0.55 0.00 -0.00 -1.59 -3.04 115.31 109.68 1t23 h LEU 29 Ca -0.02 -0.09 -0.14 0.00 -0.00 0.00 0.00 57.88 57.63 1t23 h LEU 29 Cb 0.31 0.01 -0.01 0.00 -0.00 0.00 0.00 40.66 40.97 1t23 h LEU 29 CO 0.04 0.06 -0.37 0.11 -0.00 0.00 0.00 178.44 178.27 1t23 h LYS 30 N -0.15 0.76 -0.61 1.13 1.57 -1.58 -3.25 116.57 114.43 1t23 h LYS 30 Ca -0.01 -0.38 0.00 0.00 -1.87 0.00 0.00 60.65 58.39 1t23 h LYS 30 Cb 0.13 0.00 -0.03 0.00 0.08 0.00 0.00 32.23 32.42 1t23 h LYS 30 CO 0.01 1.00 0.39 0.00 -0.57 0.00 0.00 179.45 180.28 1t23 h ALA 31 N 0.95 0.78 -0.24 3.86 0.00 0.19 -2.38 119.26 122.42 1t23 h ALA 31 Ca 0.06 -0.06 -0.05 0.00 0.00 0.00 0.00 54.91 54.85 1t23 h ALA 31 Cb 0.92 -0.25 -0.01 0.00 0.00 0.00 0.00 17.79 18.45 1t23 h ALA 31 CO 0.08 0.24 -0.09 0.00 0.00 0.00 0.00 179.25 179.48 1t23 h ALA 32 N 1.20 1.40 -0.91 0.00 0.00 -1.60 -0.89 119.26 118.46 1t23 h ALA 32 Ca 0.22 -0.22 0.24 0.00 0.00 0.00 0.00 54.91 55.15 1t23 h ALA 32 Cb -0.05 -0.12 -0.16 0.00 0.00 0.00 0.00 17.79 17.46 1t23 h ALA 32 CO -0.04 0.41 0.07 -0.97 0.00 0.00 0.00 179.25 178.72 1t23 h ASN 33 N 0.37 -0.35 0.00 0.00 -1.24 -1.46 -3.23 115.58 109.67 1t23 h ASN 33 Ca 0.07 0.24 0.00 0.00 0.71 0.00 0.00 56.30 57.33 1t23 h ASN 33 Cb 0.39 0.41 0.00 0.00 0.73 0.00 0.00 38.32 39.85 1t23 h ASN 33 CO 0.02 -0.28 0.00 0.54 -1.29 0.00 0.00 177.43 176.42 1t23 n ARG 34 N -5.40 0.00 0.00 6.67 1.74 -1.01 -4.91 116.66 113.75 1t23 n ARG 34 Ca 0.21 0.08 0.03 0.00 -0.77 0.00 0.00 57.85 57.39 1t23 n ARG 34 Cb 0.68 -0.47 0.02 0.00 -1.02 0.00 0.00 32.46 31.67 1t23 n ARG 34 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1t23 n GLY 35 N 1.86 -0.85 0.07 -0.13 0.00 -0.76 -4.68 105.19 100.71 1t23 n GLY 35 Ca 0.00 -0.15 0.15 0.00 0.00 0.00 0.00 46.02 46.03 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 0.19 0.26 -3.57 1.61 2.88 -0.41 -3.64 113.62 110.93 1t23 n SER 36 Ca 0.03 -0.77 -0.01 0.00 -1.33 0.00 0.00 58.87 56.79 1t23 n SER 36 Cb 0.12 -0.08 -0.04 0.00 -0.75 0.00 0.00 64.21 63.46 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 -2.23 -0.53 0.26 0.46 0.00 -1.24 -3.16 107.32 100.89 1t23 s GLY 37 Ca 0.39 2.60 0.26 0.00 0.00 0.00 0.00 44.72 47.96 1t23 s GLY 37 CO 0.41 3.07 1.75 -0.84 0.00 0.00 0.00 173.10 177.50 1t23 h THR 38 N 5.76 0.00 0.00 0.90 2.02 -1.81 -3.46 112.91 116.32 1t23 h THR 38 Ca -0.18 -0.50 0.00 0.00 0.77 0.00 0.00 66.41 66.50 1t23 h THR 38 Cb 1.11 1.45 0.00 0.00 -1.74 0.00 0.00 68.15 68.97 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 -2.40 0.00 0.27 6.66 4.81 -1.26 -4.15 118.16 122.09 1t23 n LYS 39 Ca 0.05 0.00 0.18 0.00 -0.87 0.00 0.00 58.31 57.66 1t23 n LYS 39 Cb 0.40 0.00 0.81 0.00 0.02 0.00 0.00 35.03 36.26 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 0.00 3.14 0.00 -1.99 -3.34 119.26 118.07 1t23 h ALA 40 Ca 0.00 0.00 -0.22 0.00 0.00 0.00 0.00 54.91 54.69 1t23 h ALA 40 Cb 0.00 0.00 -0.14 0.00 0.00 0.00 0.00 17.79 17.65 1t23 h ALA 40 CO 0.00 0.00 -0.46 -1.71 0.00 0.00 0.00 179.25 177.08 1t23 n ASN 41 N -2.91 -2.72 -3.92 0.00 4.05 -1.26 -4.91 115.26 103.59 1t23 n ASN 41 Ca -0.00 -3.38 -0.22 0.00 0.45 0.00 0.00 54.58 51.43 1t23 n ASN 41 Cb 0.21 1.84 -0.04 0.00 1.23 0.00 0.00 39.78 43.02 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 1.30 1.09 -1.33 1.20 -0.04 -1.26 0.28 135.00 136.24 1t23 n PRO 42 Ca 0.08 -2.59 0.00 0.00 -0.04 0.00 0.00 63.50 60.95 1t23 n PRO 42 Cb 0.65 0.62 0.00 0.00 -0.04 0.00 0.00 33.50 34.73 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 -1.35 0.00 -4.84 3.54 2.03 -0.85 -3.10 116.55 111.98 1t23 n ASP 43 Ca -0.12 -0.95 -0.37 0.00 0.52 0.00 0.00 54.79 53.87 1t23 n ASP 43 Cb 0.45 0.00 -0.06 0.00 -0.72 0.00 0.00 41.12 40.80 1t23 n ASP 43 CO 0.00 0.00 0.00 0.27 -1.92 0.00 0.00 177.20 175.55 1t23 s ILE 44 N -2.60 4.92 -0.22 5.18 -5.25 -1.22 -3.16 121.20 118.85 1t23 s ILE 44 Ca 0.00 0.85 -0.27 0.00 -0.99 0.00 0.00 60.65 60.25 1t23 s ILE 44 Cb 0.00 -3.75 0.08 0.00 2.95 0.00 0.00 42.46 41.74 1t23 s ILE 44 CO 0.00 0.41 0.77 -0.51 -1.79 0.00 0.00 174.94 173.82 1t23 s ILE 45 N -1.28 0.00 -0.78 8.37 1.10 -0.67 -4.25 121.20 123.70 1t23 s ILE 45 Ca 0.31 0.00 -0.22 0.00 -0.51 0.00 0.00 60.65 60.23 1t23 s ILE 45 Cb -0.16 -1.00 0.08 0.00 0.15 0.00 0.00 42.46 41.53 1t23 s ILE 45 CO 0.17 0.00 1.08 -0.13 -2.11 0.00 0.00 174.94 173.96 1t23 s ARG 46 N -0.06 3.30 -0.66 3.50 0.52 -1.26 -2.65 118.95 121.64 1t23 s ARG 46 Ca -0.02 -1.07 -0.26 0.00 -0.52 0.00 0.00 55.73 53.86 1t23 s ARG 46 Cb -0.04 -4.53 -0.08 0.00 0.52 0.00 0.00 34.95 30.83 1t23 s ARG 46 CO 0.02 -1.87 2.25 -0.51 0.02 0.00 0.00 175.30 175.21 1t23 s LEU 47 N 3.91 3.19 0.00 2.53 1.02 0.64 -4.68 118.68 125.28 1t23 s LEU 47 Ca 0.28 0.41 0.02 0.00 0.02 0.00 0.00 54.13 54.87 1t23 s LEU 47 Cb -0.11 -2.53 0.02 0.00 0.02 0.00 0.00 46.19 43.59 1t23 s LEU 47 CO 0.03 -3.07 0.20 -2.11 0.02 0.00 0.00 176.35 171.42 1t23 n ARG 48 N 8.97 1.00 -3.61 1.70 1.85 -1.25 0.64 116.66 125.97 1t23 n ARG 48 Ca 0.37 -0.96 -0.15 0.00 -1.00 0.00 0.00 57.85 56.11 1t23 n ARG 48 Cb 0.50 -0.01 -0.07 0.00 -1.05 0.00 0.00 32.46 31.83 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 -2.75 0.88 -0.08 2.89 -6.30 -0.48 -0.16 118.70 112.71 1t23 s GLU 49 Ca 0.15 0.75 -0.10 0.00 -2.50 0.00 0.00 54.97 53.28 1t23 s GLU 49 Cb -0.01 0.43 -0.05 0.00 0.00 0.00 0.00 34.13 34.50 1t23 s GLU 49 CO 0.10 -0.16 0.24 0.50 0.02 0.00 0.00 175.26 175.95 1t23 s ARG 50 N -0.10 3.64 0.00 4.30 6.06 -1.26 -4.41 118.95 127.18 1t23 s ARG 50 Ca -0.03 0.06 0.00 0.00 -2.50 0.00 0.00 55.73 53.26 1t23 s ARG 50 Cb -0.03 -3.21 0.00 0.00 0.06 0.00 0.00 34.95 31.77 1t23 s ARG 50 CO 0.04 0.73 0.00 0.41 -2.50 0.00 0.00 175.30 173.98 1t23 n GLY 51 N 1.98 3.06 2.15 8.12 0.00 -1.26 -5.04 105.19 114.21 1t23 n GLY 51 Ca -0.18 -0.86 -0.17 0.00 0.00 0.00 0.00 46.02 44.81 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 -3.21 2.61 -2.24 -1.26 -5.07 114.28 105.10 1t23 n THR 52 Ca 0.00 -1.33 -0.45 0.00 -2.27 0.00 0.00 64.05 59.99 1t23 n THR 52 Cb 0.00 0.04 -0.05 0.00 -2.10 0.00 0.00 70.33 68.23 1t23 n THR 52 CO 0.00 0.00 0.00 -0.54 -0.57 0.00 0.00 175.07 173.96 1t23 s LYS 53 N -3.18 3.07 -0.30 -0.78 -0.14 -1.26 -4.79 119.74 112.36 1t23 s LYS 53 Ca 0.08 -1.59 -0.00 0.00 -1.36 0.00 0.00 55.97 53.09 1t23 s LYS 53 Cb -0.01 -4.31 0.13 0.00 -1.68 0.00 0.00 37.83 31.97 1t23 s LYS 53 CO 0.05 -1.43 0.29 0.15 -0.76 0.00 0.00 175.35 173.65 1t23 s LYS 54 N 2.00 0.35 -0.30 1.68 1.02 -1.26 0.41 119.74 123.65 1t23 s LYS 54 Ca 0.08 -0.28 -0.03 0.00 0.02 0.00 0.00 55.97 55.77 1t23 s LYS 54 Cb -0.25 -0.73 0.10 0.00 -0.52 0.00 0.00 37.83 36.43 1t23 s LYS 54 CO 0.03 -1.05 0.12 0.08 -0.92 0.00 0.00 175.35 173.61 1t23 s VAL 55 N 2.21 0.28 0.00 3.17 1.01 0.14 -1.38 120.40 125.83 1t23 s VAL 55 Ca 0.10 -0.98 -0.17 0.00 0.00 0.00 0.00 61.98 60.93 1t23 s VAL 55 Cb -0.14 -1.23 -0.06 0.00 0.00 0.00 0.00 36.38 34.95 1t23 s VAL 55 CO -0.30 -0.70 0.48 -2.28 0.00 0.00 0.00 175.10 172.30 1t23 s HIS 56 N 1.92 3.72 -0.36 5.22 5.04 0.21 -0.10 115.29 130.94 1t23 s HIS 56 Ca 0.09 1.07 -0.02 0.00 -1.54 0.00 0.00 55.06 54.67 1t23 s HIS 56 Cb -0.16 -2.41 0.08 0.00 0.04 0.00 0.00 32.58 30.13 1t23 s HIS 56 CO -0.32 0.53 0.10 0.08 -2.34 0.00 0.00 174.74 172.79 1t23 s VAL 57 N -0.76 3.05 0.30 0.89 1.01 -1.25 0.23 120.40 123.87 1t23 s VAL 57 Ca 0.26 -1.82 -0.03 0.00 0.00 0.00 0.00 61.98 60.39 1t23 s VAL 57 Cb -0.17 -2.97 -0.01 0.00 0.00 0.00 0.00 36.38 33.23 1t23 s VAL 57 CO 0.15 -0.44 0.40 -0.36 0.00 0.00 0.00 175.10 174.85 1t23 s PHE 58 N 1.16 1.02 -0.07 5.22 0.08 -1.09 0.15 117.98 124.45 1t23 s PHE 58 Ca 0.03 -1.24 0.02 0.00 0.12 0.00 0.00 56.93 55.86 1t23 s PHE 58 Cb -0.21 -0.18 0.02 0.00 -0.57 0.00 0.00 43.02 42.08 1t23 s PHE 58 CO -0.03 -1.00 -0.10 0.15 -0.10 0.00 0.00 175.22 174.14 1t23 s LYS 59 N -3.46 1.49 -0.27 0.44 1.02 -0.78 -1.67 119.74 116.51 1t23 s LYS 59 Ca 0.31 -0.32 -0.02 0.00 0.02 0.00 0.00 55.97 55.96 1t23 s LYS 59 Cb 0.01 -1.32 0.03 0.00 -0.52 0.00 0.00 37.83 36.03 1t23 s LYS 59 CO 0.18 -0.05 -0.02 0.00 -0.92 0.00 0.00 175.35 174.54 1t23 s ALA 60 N 0.90 2.78 0.00 5.17 0.00 -1.19 -1.81 121.76 127.61 1t23 s ALA 60 Ca -0.10 -1.57 0.00 0.00 0.00 0.00 0.00 51.96 50.29 1t23 s ALA 60 Cb -0.15 -1.83 0.00 0.00 0.00 0.00 0.00 23.12 21.14 1t23 s ALA 60 CO 0.01 -0.99 0.00 0.91 0.00 0.00 0.00 175.76 175.69 1t23 n TRP 61 N 4.68 0.00 -3.93 0.00 8.01 -0.54 -4.11 117.44 121.54 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 0.46 0.00 -0.14 0.00 -2.01 0.00 0.00 31.31 29.62 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 -1.53 1.98 0.15 -0.99 2.36 -1.26 0.13 119.74 120.58 1t23 s LYS 62 Ca 0.00 -2.66 -0.25 0.00 -2.55 0.00 0.00 55.97 50.51 1t23 s LYS 62 Cb 0.00 -3.26 0.06 0.00 -1.05 0.00 0.00 37.83 33.58 1t23 s LYS 62 CO 0.00 -1.13 0.92 -1.21 1.55 0.00 0.00 175.35 175.48 1t23 s GLU 63 N -0.37 1.22 -0.62 4.03 2.02 0.67 -4.81 118.70 120.84 1t23 s GLU 63 Ca 0.18 -0.65 -0.27 0.00 0.02 0.00 0.00 54.97 54.25 1t23 s GLU 63 Cb -0.24 0.43 -0.01 0.00 0.10 0.00 0.00 34.13 34.42 1t23 s GLU 63 CO -0.02 -0.56 1.69 -1.50 0.02 0.00 0.00 175.26 174.89 1t23 s ILE 64 N -3.35 3.49 0.00 -1.63 2.07 -1.25 -2.13 121.20 118.39 1t23 s ILE 64 Ca 0.11 0.32 0.00 0.00 -1.41 0.00 0.00 60.65 59.67 1t23 s ILE 64 Cb -0.02 -4.18 0.00 0.00 0.13 0.00 0.00 42.46 38.39 1t23 s ILE 64 CO 0.01 -1.11 0.00 1.33 -1.91 0.00 0.00 174.94 173.27 1t23 n VAL 65 N 7.01 0.00 -5.19 4.00 0.24 -0.77 -4.79 118.33 118.83 1t23 n VAL 65 Ca 0.16 0.00 -0.32 0.00 -2.04 0.00 0.00 64.34 62.14 1t23 n VAL 65 Cb 0.51 -1.41 -0.17 0.00 -1.47 0.00 0.00 33.84 31.30 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 3.03 -0.55 -1.34 2.15 0.65 -1.77 116.67 117.83 1t23 s ASP 66 Ca 0.00 -0.55 -0.26 0.00 0.43 0.00 0.00 52.55 52.17 1t23 s ASP 66 Cb 0.00 -1.36 -0.04 0.00 -0.30 0.00 0.00 42.92 41.22 1t23 s ASP 66 CO 0.00 0.16 2.09 0.00 -0.17 0.00 0.00 175.17 177.25 1t23 s ALA 67 N 0.34 1.97 0.80 3.66 0.00 -0.57 -4.25 121.76 123.71 1t23 s ALA 67 Ca -0.18 -0.33 0.00 0.00 0.00 0.00 0.00 51.96 51.45 1t23 s ALA 67 Cb -0.18 -4.31 0.00 0.00 0.00 0.00 0.00 23.12 18.63 1t23 s ALA 67 CO 0.09 -4.08 0.00 -0.35 0.00 0.00 0.00 175.76 171.41 1t23 n PRO 68 N 9.09 0.98 -0.87 0.00 -0.04 -1.26 -4.65 135.00 138.25 1t23 n PRO 68 Ca 0.27 0.00 -0.31 0.00 -0.04 0.00 0.00 63.50 63.42 1t23 n PRO 68 Cb 0.53 0.00 -0.04 0.00 -0.04 0.00 0.00 33.50 33.95 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 -0.35 1.62 0.00 0.54 4.76 -1.26 -4.30 118.16 119.17 1t23 n LYS 69 Ca 0.00 -1.55 0.11 0.00 -2.87 0.00 0.00 58.31 53.99 1t23 n LYS 69 Cb 0.00 -2.63 -0.07 0.00 -1.84 0.00 0.00 35.03 30.49 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 5.90 0.71 -4.08 4.39 3.02 -1.26 -4.97 115.26 118.97 1t23 n ASN 70 Ca 0.44 -0.61 -0.29 0.00 -0.03 0.00 0.00 54.58 54.09 1t23 n ASN 70 Cb 0.26 1.06 -0.04 0.00 -0.61 0.00 0.00 39.78 40.44 1t23 n ASN 70 CO 0.00 0.00 0.00 -2.11 -2.62 0.00 0.00 177.26 172.53 1t23 n ARG 71 N -1.72 -2.15 -3.48 3.52 0.00 -1.26 -1.56 116.66 110.00 1t23 n ARG 71 Ca 0.02 0.27 -0.42 0.00 -0.00 0.00 0.00 57.85 57.73 1t23 n ARG 71 Cb 0.39 -4.04 -0.10 0.00 -0.00 0.00 0.00 32.46 28.71 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 -6.88 3.17 0.44 2.89 0.04 -1.26 -4.61 135.00 128.78 1t23 s PRO 72 Ca 0.05 -0.88 0.23 0.00 0.04 0.00 0.00 61.00 60.45 1t23 s PRO 72 Cb -0.02 -3.92 0.36 0.00 0.04 0.00 0.00 34.50 30.96 1t23 s PRO 72 CO 0.93 -0.64 1.62 0.00 0.04 0.00 0.00 177.00 178.95 1t23 h ALA 73 N 8.58 1.00 0.18 8.56 0.00 -1.96 -3.30 119.26 132.32 1t23 h ALA 73 Ca -0.29 0.00 -0.32 0.00 0.00 0.00 0.00 54.91 54.31 1t23 h ALA 73 Cb 1.13 0.00 0.02 0.00 0.00 0.00 0.00 17.79 18.94 1t23 h ALA 73 CO 0.69 0.00 -1.49 -1.49 0.00 0.00 0.00 179.25 176.97 1t23 h TRP 74 N 0.00 0.70 -1.56 0.00 4.06 -1.97 -3.47 115.95 113.71 1t23 h TRP 74 Ca 0.00 -0.51 0.11 0.00 2.06 0.00 0.00 58.89 60.55 1t23 h TRP 74 Cb 0.99 -0.03 -0.27 0.00 -1.00 0.00 0.00 29.16 28.85 1t23 h TRP 74 CO 0.00 1.47 0.38 1.41 -3.56 0.00 0.00 178.44 178.14 1t23 s MET 75 N -2.61 0.40 0.82 0.49 1.75 -1.24 -5.18 119.30 113.73 1t23 s MET 75 Ca -0.09 0.67 -0.05 0.00 -1.25 0.00 0.00 55.69 54.97 1t23 s MET 75 Cb 0.06 0.09 0.17 0.00 2.84 0.00 0.00 34.83 37.99 1t23 s MET 75 CO 0.89 -0.08 1.13 -1.25 -0.65 0.00 0.00 175.02 175.06 1t23 s PRO 76 N 1.27 1.15 0.00 4.11 0.04 -1.26 -4.66 135.00 135.65 1t23 s PRO 76 Ca -0.08 -1.03 0.11 0.00 0.04 0.00 0.00 61.00 60.04 1t23 s PRO 76 Cb -0.04 -2.17 0.35 0.00 0.04 0.00 0.00 34.50 32.69 1t23 s PRO 76 CO -0.14 -1.89 1.28 -1.91 0.04 0.00 0.00 177.00 174.38 1t23 n GLU 77 N -3.20 1.74 -3.10 4.56 2.13 -1.26 -4.57 120.64 116.94 1t23 n GLU 77 Ca 0.17 -1.15 -0.45 0.00 0.66 0.00 0.00 57.16 56.40 1t23 n GLU 77 Cb 0.60 -1.27 -0.01 0.00 0.27 0.00 0.00 31.44 31.04 1t23 n GLU 77 CO 0.00 0.00 0.00 0.21 -0.41 0.00 0.00 177.13 176.93 1t23 s LYS 78 N -1.60 4.01 -0.23 5.31 2.47 -1.25 -0.26 119.74 128.19 1t23 s LYS 78 Ca 0.23 -2.65 -0.37 0.00 -1.56 0.00 0.00 55.97 51.62 1t23 s LYS 78 Cb 0.12 -4.83 0.16 0.00 -1.46 0.00 0.00 37.83 31.82 1t23 s LYS 78 CO 0.16 -1.56 1.41 -1.50 0.16 0.00 0.00 175.35 174.02 1t23 s ILE 79 N 0.74 0.00 -0.50 5.43 2.07 -0.73 -4.76 121.20 123.45 1t23 s ILE 79 Ca 0.35 -0.00 -0.28 0.00 -1.41 0.00 0.00 60.65 59.31 1t23 s ILE 79 Cb -0.06 -1.32 -0.01 0.00 0.13 0.00 0.00 42.46 41.20 1t23 s ILE 79 CO -0.05 0.00 1.65 -0.44 -1.91 0.00 0.00 174.94 174.19 1t23 s SER 80 N -2.33 5.83 0.00 4.50 0.01 -1.26 -1.85 113.70 118.60 1t23 s SER 80 Ca 0.13 0.63 0.00 0.00 1.31 0.00 0.00 55.95 58.02 1t23 s SER 80 Cb 0.02 -2.53 0.00 0.00 0.21 0.00 0.00 66.02 63.71 1t23 s SER 80 CO -0.04 -1.88 0.00 2.29 0.41 0.00 0.00 173.24 174.02 1t23 n LYS 81 N 8.69 0.00 -2.49 12.44 2.85 -0.91 -4.79 118.16 133.97 1t23 n LYS 81 Ca 0.18 0.00 -0.42 0.00 -1.05 0.00 0.00 58.31 57.02 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 1.51 4.44 0.78 -1.58 0.04 -1.25 0.24 135.00 139.18 1t23 s PRO 82 Ca 0.00 1.68 -0.13 0.00 0.04 0.00 0.00 61.00 62.59 1t23 s PRO 82 Cb 0.00 -3.41 0.07 0.00 0.04 0.00 0.00 34.50 31.19 1t23 s PRO 82 CO 0.00 -0.26 1.15 -0.06 0.04 0.00 0.00 177.00 177.87 1t23 s PHE 83 N 1.29 2.14 -0.33 0.56 0.08 0.34 -4.68 117.98 117.39 1t23 s PHE 83 Ca 0.57 1.64 0.03 0.00 0.12 0.00 0.00 56.93 59.29 1t23 s PHE 83 Cb -0.27 -3.29 0.16 0.00 -0.57 0.00 0.00 43.02 39.05 1t23 s PHE 83 CO 0.27 -2.33 0.43 0.08 -0.10 0.00 0.00 175.22 173.58 1t23 s VAL 84 N -2.43 -0.60 0.07 -0.44 1.01 -1.15 -1.47 120.40 115.39 1t23 s VAL 84 Ca 0.68 -0.46 -0.31 0.00 0.00 0.00 0.00 61.98 61.90 1t23 s VAL 84 Cb -0.23 -0.75 -0.06 0.00 0.00 0.00 0.00 36.38 35.34 1t23 s VAL 84 CO 0.50 -0.33 1.20 -0.54 0.00 0.00 0.00 175.10 175.94 1t23 s LYS 85 N 2.11 4.43 -0.77 2.72 3.01 -0.75 -4.72 119.74 125.77 1t23 s LYS 85 Ca 0.13 1.78 -0.15 0.00 -1.01 0.00 0.00 55.97 56.72 1t23 s LYS 85 Cb -0.12 -3.34 0.19 0.00 -1.01 0.00 0.00 37.83 33.55 1t23 s LYS 85 CO -0.19 -0.26 0.73 -1.59 0.51 0.00 0.00 175.35 174.56 1t23 s LYS 86 N 1.02 3.47 0.30 1.68 0.00 -1.26 -1.87 119.74 123.08 1t23 s LYS 86 Ca 0.59 -2.26 -0.10 0.00 0.00 0.00 0.00 55.97 54.20 1t23 s LYS 86 Cb -0.30 -4.42 -0.07 0.00 0.00 0.00 0.00 37.83 33.04 1t23 s LYS 86 CO 0.29 -1.33 0.65 -1.21 0.00 0.00 0.00 175.35 173.75 1t23 s GLU 87 N 0.62 3.82 -0.15 1.78 2.02 0.39 -4.96 118.70 122.21 1t23 s GLU 87 Ca 0.16 0.37 -0.33 0.00 0.02 0.00 0.00 54.97 55.18 1t23 s GLU 87 Cb -0.14 -2.53 -0.10 0.00 0.10 0.00 0.00 34.13 31.45 1t23 s GLU 87 CO -0.06 0.18 2.00 -2.13 0.02 0.00 0.00 175.26 175.26 1t23 n ARG 88 N -0.61 1.99 -2.97 1.61 3.00 -1.26 -3.75 116.66 114.67 1t23 n ARG 88 Ca 0.01 0.68 -0.39 0.00 -0.00 0.00 0.00 57.85 58.15 1t23 n ARG 88 Cb 0.53 -2.73 -0.06 0.00 0.00 0.00 0.00 32.46 30.20 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 5.36 4.36 0.04 5.15 1.01 -1.26 -4.30 121.20 131.56 1t23 s ILE 89 Ca 0.97 1.70 0.09 0.00 0.00 0.00 0.00 60.65 63.40 1t23 s ILE 89 Cb -0.65 -4.12 -0.03 0.00 0.01 0.00 0.00 42.46 37.67 1t23 s ILE 89 CO 0.48 0.48 -0.25 -0.70 0.00 0.00 0.00 174.94 174.96 1t23 s GLU 90 N -1.25 1.71 0.35 2.79 2.12 0.85 -4.95 118.70 120.31 1t23 s GLU 90 Ca 0.37 -1.05 -0.18 0.00 0.36 0.00 0.00 54.97 54.47 1t23 s GLU 90 Cb -0.23 -1.86 0.04 0.00 0.26 0.00 0.00 34.13 32.35 1t23 s GLU 90 CO 0.26 0.48 0.76 -1.59 -0.54 0.00 0.00 175.26 174.64 1t23 s LYS 91 N -1.17 2.07 0.98 4.30 0.00 -1.26 0.26 119.74 124.93 1t23 s LYS 91 Ca 0.11 -1.28 -0.17 0.00 0.00 0.00 0.00 55.97 54.63 1t23 s LYS 91 Cb -0.10 0.62 0.24 0.00 0.00 0.00 0.00 37.83 38.59 1t23 s LYS 91 CO 0.02 -0.96 1.05 1.47 0.00 0.00 0.00 175.35 176.92 1t23 n LEU 92 N -0.50 0.00 0.00 2.77 -0.00 1.38 -4.84 117.00 115.81 1t23 n LEU 92 Ca -0.07 -1.13 0.00 0.00 -0.00 0.00 0.00 56.01 54.81 1t23 n LEU 92 Cb 0.60 -0.89 0.00 0.00 -0.00 0.00 0.00 43.42 43.13 1t23 n LEU 92 CO 0.22 -1.72 0.16 -0.62 -0.00 0.00 0.00 177.39 175.43