#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 -0.19 -0.08 6.43 3.84 -1.26 -5.18 114.94 118.50 1t23 s ASN 2 Ca 0.00 -0.28 -0.20 0.00 0.21 0.00 0.00 52.86 52.59 1t23 s ASN 2 Cb 0.00 0.44 0.04 0.00 -0.55 0.00 0.00 41.25 41.18 1t23 s ASN 2 CO 0.00 -0.78 0.47 0.28 -2.79 0.00 0.00 177.10 174.28 1t23 s THR 3 N -3.44 0.02 -0.16 -5.21 -1.32 -1.26 -4.33 115.64 99.94 1t23 s THR 3 Ca 0.01 -0.19 0.00 0.00 -1.21 0.00 0.00 61.69 60.30 1t23 s THR 3 Cb 0.01 -0.75 0.00 0.00 -1.51 0.00 0.00 72.50 70.26 1t23 s THR 3 CO -0.09 -0.11 -0.16 -0.13 -2.21 0.00 0.00 174.62 171.92 1t23 s ARG 4 N -0.79 3.18 0.20 7.08 1.81 0.13 -4.83 118.95 125.72 1t23 s ARG 4 Ca -0.09 -0.76 -0.30 0.00 -1.72 0.00 0.00 55.73 52.86 1t23 s ARG 4 Cb -0.03 -2.62 -0.08 0.00 -0.45 0.00 0.00 34.95 31.77 1t23 s ARG 4 CO 0.05 -0.02 1.19 1.21 -0.68 0.00 0.00 175.30 177.05 1t23 s ASN 5 N 0.90 7.09 0.16 0.23 3.84 -1.26 0.36 114.94 126.26 1t23 s ASN 5 Ca -0.04 2.27 -0.03 0.00 0.21 0.00 0.00 52.86 55.26 1t23 s ASN 5 Cb -0.15 -2.61 -0.03 0.00 -0.55 0.00 0.00 41.25 37.91 1t23 s ASN 5 CO -0.02 -0.36 0.15 -0.36 -2.79 0.00 0.00 177.10 173.72 1t23 s PHE 6 N -0.23 0.82 -0.03 0.43 0.08 0.25 -4.91 117.98 114.38 1t23 s PHE 6 Ca 0.52 -1.15 0.01 0.00 0.12 0.00 0.00 56.93 56.43 1t23 s PHE 6 Cb -0.33 -0.38 0.02 0.00 -0.57 0.00 0.00 43.02 41.76 1t23 s PHE 6 CO 0.38 -0.62 -0.02 0.14 -0.10 0.00 0.00 175.22 175.00 1t23 s VAL 7 N -4.06 0.31 0.18 -0.44 -7.23 -1.26 -3.19 120.40 104.71 1t23 s VAL 7 Ca 0.26 -0.02 -0.22 0.00 -1.81 0.00 0.00 61.98 60.19 1t23 s VAL 7 Cb 0.06 -0.35 0.06 0.00 0.56 0.00 0.00 36.38 36.70 1t23 s VAL 7 CO 0.04 0.16 0.59 -1.48 -0.31 0.00 0.00 175.10 174.11 1t23 s LEU 8 N 0.77 -0.38 -0.21 1.32 2.34 -0.89 -4.12 118.68 117.50 1t23 s LEU 8 Ca -0.08 -0.16 -0.04 0.00 0.06 0.00 0.00 54.13 53.90 1t23 s LEU 8 Cb -0.12 2.51 0.11 0.00 -0.56 0.00 0.00 46.19 48.13 1t23 s LEU 8 CO -0.01 -1.03 0.32 -0.60 -1.06 0.00 0.00 176.35 173.97 1t23 s ARG 9 N -3.79 0.27 0.00 1.48 6.06 0.53 -2.55 118.95 120.95 1t23 s ARG 9 Ca 0.03 0.51 0.00 0.00 -2.50 0.00 0.00 55.73 53.78 1t23 s ARG 9 Cb -0.02 -0.56 0.00 0.00 0.06 0.00 0.00 34.95 34.44 1t23 s ARG 9 CO -0.09 -0.55 0.00 -3.47 -2.50 0.00 0.00 175.30 168.69 1t23 n ASP 10 N 5.35 0.00 -2.08 -2.12 -0.08 -0.70 0.23 116.55 117.15 1t23 n ASP 10 Ca -0.05 0.00 -0.06 0.00 -1.51 0.00 0.00 54.79 53.17 1t23 n ASP 10 Cb 0.50 0.00 0.03 0.00 2.34 0.00 0.00 41.12 43.99 1t23 n ASP 10 CO 0.00 0.00 0.00 -0.62 0.12 0.00 0.00 177.20 176.70 1t23 n GLU 11 N 0.00 -1.22 -0.41 -0.67 1.02 -0.24 -2.93 120.64 116.18 1t23 n GLU 11 Ca 0.00 0.32 0.00 0.00 -0.02 0.00 0.00 57.16 57.46 1t23 n GLU 11 Cb 0.00 -3.26 0.00 0.00 -0.02 0.00 0.00 31.44 28.16 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 -2.05 0.00 0.00 1.62 8.00 -0.25 -4.88 116.55 118.99 1t23 n ASP 12 Ca -0.05 0.00 0.00 0.00 0.71 0.00 0.00 54.79 55.45 1t23 n ASP 12 Cb 0.55 -0.58 0.00 0.00 -0.02 0.00 0.00 41.12 41.07 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 -2.00 0.61 0.80 0.44 0.00 -1.15 -4.80 105.19 99.10 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 -0.68 0.00 -3.62 1.61 5.03 0.62 -4.19 115.26 114.03 1t23 n ASN 14 Ca 0.00 0.00 -0.04 0.00 0.87 0.00 0.00 54.58 55.41 1t23 n ASN 14 Cb 0.00 0.00 -0.06 0.00 -1.02 0.00 0.00 39.78 38.70 1t23 n ASN 14 CO 0.00 0.00 0.00 -0.70 -1.83 0.00 0.00 177.26 174.73 1t23 s GLU 15 N -0.55 0.52 -0.24 3.52 2.12 -0.94 -2.96 118.70 120.16 1t23 s GLU 15 Ca 0.00 0.97 -0.11 0.00 0.36 0.00 0.00 54.97 56.18 1t23 s GLU 15 Cb 0.00 0.22 -0.05 0.00 0.26 0.00 0.00 34.13 34.57 1t23 s GLU 15 CO 0.00 -0.12 0.19 -3.38 -0.54 0.00 0.00 175.26 171.41 1t23 s HIS 16 N 1.74 3.31 -0.30 5.30 -3.43 -0.85 0.20 115.29 121.26 1t23 s HIS 16 Ca -0.08 0.26 -0.20 0.00 -0.80 0.00 0.00 55.06 54.23 1t23 s HIS 16 Cb -0.05 -2.31 0.20 0.00 -1.43 0.00 0.00 32.58 28.98 1t23 s HIS 16 CO -0.18 0.03 1.33 0.20 -2.00 0.00 0.00 174.74 174.12 1t23 s GLY 17 N 1.14 0.48 -0.40 -1.38 0.00 -1.06 -1.90 107.32 104.20 1t23 s GLY 17 Ca 0.09 3.66 0.01 0.00 0.00 0.00 0.00 44.72 48.48 1t23 s GLY 17 CO 0.06 2.38 0.21 0.14 0.00 0.00 0.00 173.10 175.89 1t23 s VAL 18 N 0.59 0.98 0.00 1.40 1.01 -1.26 -2.10 120.40 121.02 1t23 s VAL 18 Ca -0.01 -2.18 -0.02 0.00 0.00 0.00 0.00 61.98 59.77 1t23 s VAL 18 Cb -0.04 -1.70 0.01 0.00 0.00 0.00 0.00 36.38 34.65 1t23 s VAL 18 CO -0.12 -0.90 0.08 2.22 0.00 0.00 0.00 175.10 176.38 1t23 n PHE 19 N 3.84 -0.28 -4.07 5.22 1.16 -1.19 -5.03 117.46 117.10 1t23 n PHE 19 Ca 0.08 -0.06 -0.29 0.00 -1.87 0.00 0.00 57.45 55.32 1t23 n PHE 19 Cb 0.36 0.03 -0.06 0.00 -1.61 0.00 0.00 39.48 38.19 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 -2.24 4.43 0.01 1.97 -4.23 -1.26 -0.58 115.64 113.73 1t23 s THR 20 Ca 0.02 -0.90 0.04 0.00 -1.18 0.00 0.00 61.69 59.68 1t23 s THR 20 Cb -0.00 -3.17 -0.01 0.00 1.34 0.00 0.00 72.50 70.65 1t23 s THR 20 CO 0.00 0.06 -0.14 -0.83 -0.54 0.00 0.00 174.62 173.17 1t23 s GLY 21 N -2.59 0.72 -0.03 3.99 0.00 0.16 -4.74 107.32 104.83 1t23 s GLY 21 Ca 0.29 -0.68 -0.13 0.00 0.00 0.00 0.00 44.72 44.20 1t23 s GLY 21 CO 0.22 -0.60 0.62 0.50 0.00 0.00 0.00 173.10 173.84 1t23 h LYS 22 N 5.48 -0.46 -4.72 2.90 1.57 -1.86 0.36 116.57 119.84 1t23 h LYS 22 Ca -0.36 0.03 -0.68 0.00 -1.87 0.00 0.00 60.65 57.78 1t23 h LYS 22 Cb 1.17 0.10 -0.19 0.00 0.08 0.00 0.00 32.23 33.40 1t23 h LYS 22 CO 0.47 -0.31 -0.48 -0.65 -0.57 0.00 0.00 179.45 177.92 1t23 s GLN 23 N -3.15 3.50 0.42 3.15 1.11 -1.26 -4.58 119.66 118.84 1t23 s GLN 23 Ca -0.07 -0.64 0.09 0.00 0.01 0.00 0.00 55.36 54.75 1t23 s GLN 23 Cb 0.01 -3.81 0.90 0.00 -1.01 0.00 0.00 33.01 29.10 1t23 s GLN 23 CO 0.21 -0.45 2.02 -1.00 0.01 0.00 0.00 175.29 176.08 1t23 h PRO 24 N 8.49 0.33 0.00 2.91 0.13 -1.96 0.14 132.00 142.03 1t23 h PRO 24 Ca -0.31 -0.04 0.00 0.00 -0.87 0.00 0.00 66.00 64.78 1t23 h PRO 24 Cb 1.16 -0.06 0.00 0.00 0.13 0.00 0.00 31.00 32.22 1t23 h PRO 24 CO 0.63 0.31 -0.09 0.00 -0.23 0.00 0.00 178.00 178.62 1t23 h ARG 25 N 0.33 0.00 -0.97 0.86 3.08 -1.96 -2.97 114.38 112.75 1t23 h ARG 25 Ca 0.08 0.00 0.06 0.00 0.07 0.00 0.00 59.98 60.20 1t23 h ARG 25 Cb 0.12 0.00 -0.06 0.00 0.08 0.00 0.00 29.97 30.10 1t23 h ARG 25 CO -0.01 0.00 0.63 0.37 -1.07 0.00 0.00 179.97 179.89 1t23 h GLN 26 N -0.53 1.10 0.00 0.04 4.15 -1.80 0.82 115.11 118.89 1t23 h GLN 26 Ca 0.00 -0.07 0.00 0.00 0.77 0.00 0.00 58.65 59.35 1t23 h GLN 26 Cb 0.09 -0.25 0.00 0.00 0.21 0.00 0.00 27.48 27.53 1t23 h GLN 26 CO 0.00 0.73 0.00 0.00 -1.93 0.00 0.00 178.83 177.63 1t23 h ALA 27 N 1.47 1.00 0.73 3.38 0.00 -0.91 -3.18 119.26 121.76 1t23 h ALA 27 Ca 0.42 0.00 -0.03 0.00 0.00 0.00 0.00 54.91 55.30 1t23 h ALA 27 Cb 0.17 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 17.95 1t23 h ALA 27 CO -0.16 0.00 -0.50 0.00 0.00 0.00 0.00 179.25 178.59 1t23 h ALA 28 N 2.26 -1.25 -0.35 0.00 0.00 -0.66 0.41 119.26 119.67 1t23 h ALA 28 Ca 0.00 -0.24 -0.01 0.00 0.00 0.00 0.00 54.91 54.66 1t23 h ALA 28 Cb 0.60 0.65 -0.02 0.00 0.00 0.00 0.00 17.79 19.02 1t23 h ALA 28 CO 0.00 -1.23 0.18 1.37 0.00 0.00 0.00 179.25 179.57 1t23 h LEU 29 N -1.17 0.44 -0.62 0.00 -0.00 -1.63 -1.92 115.31 110.42 1t23 h LEU 29 Ca -0.10 -0.11 0.13 0.00 -0.00 0.00 0.00 57.88 57.80 1t23 h LEU 29 Cb 0.96 -0.11 -0.10 0.00 -0.00 0.00 0.00 40.66 41.40 1t23 h LEU 29 CO 0.07 0.43 0.01 0.11 -0.00 0.00 0.00 178.44 179.05 1t23 h LYS 30 N 0.43 0.12 -0.04 0.17 1.79 -1.48 0.14 116.57 117.71 1t23 h LYS 30 Ca 0.12 -0.01 -0.00 0.00 -2.18 0.00 0.00 60.65 58.58 1t23 h LYS 30 Cb 0.09 -0.03 -0.00 0.00 -1.58 0.00 0.00 32.23 30.71 1t23 h LYS 30 CO -0.02 0.08 0.02 0.00 -1.08 0.00 0.00 179.45 178.45 1t23 h ALA 31 N 1.56 0.05 -0.58 3.86 0.00 0.20 -2.52 119.26 121.83 1t23 h ALA 31 Ca 0.32 -0.06 0.03 0.00 0.00 0.00 0.00 54.91 55.20 1t23 h ALA 31 Cb 0.52 -0.01 -0.03 0.00 0.00 0.00 0.00 17.79 18.27 1t23 h ALA 31 CO -0.52 -0.40 0.38 0.00 0.00 0.00 0.00 179.25 178.71 1t23 h ALA 32 N 0.91 1.67 -0.94 0.00 0.00 -0.56 -2.23 119.26 118.11 1t23 h ALA 32 Ca 0.01 -0.03 0.22 0.00 0.00 0.00 0.00 54.91 55.11 1t23 h ALA 32 Cb 0.11 -0.20 -0.18 0.00 0.00 0.00 0.00 17.79 17.52 1t23 h ALA 32 CO -0.00 0.27 -0.12 -1.71 0.00 0.00 0.00 179.25 177.69 1t23 n ASN 33 N -4.46 -0.23 0.00 0.00 2.85 0.43 -3.19 115.26 110.65 1t23 n ASN 33 Ca 0.06 1.62 0.00 0.00 -0.11 0.00 0.00 54.58 56.15 1t23 n ASN 33 Cb 0.11 -0.53 0.00 0.00 1.24 0.00 0.00 39.78 40.60 1t23 n ASN 33 CO 0.00 0.00 0.00 0.54 -2.11 0.00 0.00 177.26 175.69 1t23 n ARG 34 N -5.48 0.00 0.00 1.20 5.12 -0.92 -4.90 116.66 111.68 1t23 n ARG 34 Ca 0.18 0.09 0.02 0.00 -1.93 0.00 0.00 57.85 56.21 1t23 n ARG 34 Cb 0.59 -0.43 0.00 0.00 -1.16 0.00 0.00 32.46 31.46 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 2.11 -0.58 0.07 -0.13 0.00 -1.09 -4.68 105.19 100.88 1t23 n GLY 35 Ca 0.00 -0.10 0.15 0.00 0.00 0.00 0.00 46.02 46.07 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 -0.19 0.25 -3.47 1.61 7.64 -0.80 -3.56 113.62 115.10 1t23 n SER 36 Ca 0.02 -0.52 -0.17 0.00 1.01 0.00 0.00 58.87 59.21 1t23 n SER 36 Cb 0.07 -0.14 -0.12 0.00 -1.01 0.00 0.00 64.21 63.02 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 -2.41 -0.05 0.39 0.23 0.00 -1.19 -2.00 107.32 102.28 1t23 s GLY 37 Ca 0.32 0.31 0.21 0.00 0.00 0.00 0.00 44.72 45.56 1t23 s GLY 37 CO 0.45 2.24 1.64 -0.84 0.00 0.00 0.00 173.10 176.59 1t23 h THR 38 N 6.29 0.51 0.00 0.90 2.02 -1.72 -3.43 112.91 117.49 1t23 h THR 38 Ca -0.17 -1.47 0.00 0.00 0.77 0.00 0.00 66.41 65.54 1t23 h THR 38 Cb 1.15 2.05 0.00 0.00 -1.74 0.00 0.00 68.15 69.61 1t23 h THR 38 CO 0.28 0.26 0.00 1.17 0.37 0.00 0.00 175.52 177.60 1t23 n LYS 39 N -3.24 0.00 0.21 6.66 0.00 -1.26 -3.76 118.16 116.77 1t23 n LYS 39 Ca 0.02 0.00 0.05 0.00 0.00 0.00 0.00 58.31 58.38 1t23 n LYS 39 Cb 0.56 0.00 0.47 0.00 0.00 0.00 0.00 35.03 36.06 1t23 n LYS 39 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40 1t23 h ALA 40 N 0.00 1.49 -2.01 3.14 0.00 -1.97 -3.25 119.26 116.64 1t23 h ALA 40 Ca 0.00 -0.23 -0.56 0.00 0.00 0.00 0.00 54.91 54.12 1t23 h ALA 40 Cb 0.00 -0.04 -0.38 0.00 0.00 0.00 0.00 17.79 17.37 1t23 h ALA 40 CO 0.00 0.32 -1.07 0.09 0.00 0.00 0.00 179.25 178.59 1t23 n ASN 41 N -4.10 -0.05 -4.78 0.00 4.13 -1.25 -4.96 115.26 104.26 1t23 n ASN 41 Ca -0.02 -2.65 -0.23 0.00 1.68 0.00 0.00 54.58 53.37 1t23 n ASN 41 Cb 0.32 -0.55 -0.06 0.00 -1.54 0.00 0.00 39.78 37.95 1t23 n ASN 41 CO 0.00 0.00 0.00 -2.16 0.28 0.00 0.00 177.26 175.38 1t23 s PRO 42 N -0.89 2.40 0.02 3.52 0.04 -1.23 -1.08 135.00 137.78 1t23 s PRO 42 Ca 0.35 -1.60 -0.01 0.00 0.04 0.00 0.00 61.00 59.77 1t23 s PRO 42 Cb 0.15 -2.19 0.00 0.00 0.04 0.00 0.00 34.50 32.50 1t23 s PRO 42 CO -0.13 -0.02 0.06 -3.47 0.04 0.00 0.00 177.00 173.48 1t23 n ASP 43 N -1.28 -0.13 -4.78 6.66 -0.08 -1.18 -4.18 116.55 111.59 1t23 n ASP 43 Ca -0.01 -1.08 -0.37 0.00 -1.51 0.00 0.00 54.79 51.82 1t23 n ASP 43 Cb 0.62 0.21 -0.06 0.00 2.34 0.00 0.00 41.12 44.22 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 -2.71 5.17 -0.10 5.18 -0.00 -1.16 -2.67 121.20 124.92 1t23 s ILE 44 Ca 0.01 0.76 0.04 0.00 -0.00 0.00 0.00 60.65 61.46 1t23 s ILE 44 Cb -0.00 -3.71 0.00 0.00 -0.00 0.00 0.00 42.46 38.75 1t23 s ILE 44 CO 0.01 0.46 -0.24 -0.51 -0.00 0.00 0.00 174.94 174.65 1t23 s ILE 45 N -0.17 2.05 -1.07 8.37 1.10 0.26 -4.08 121.20 127.67 1t23 s ILE 45 Ca 0.22 -1.02 -0.15 0.00 -0.51 0.00 0.00 60.65 59.20 1t23 s ILE 45 Cb -0.15 -1.78 0.18 0.00 0.15 0.00 0.00 42.46 40.87 1t23 s ILE 45 CO 0.09 0.56 1.22 -0.13 -2.11 0.00 0.00 174.94 174.57 1t23 s ARG 46 N 0.35 3.91 -0.85 3.50 0.52 -1.26 -1.88 118.95 123.24 1t23 s ARG 46 Ca -0.19 -2.42 -0.25 0.00 -0.52 0.00 0.00 55.73 52.36 1t23 s ARG 46 Cb -0.18 -4.87 0.01 0.00 0.52 0.00 0.00 34.95 30.43 1t23 s ARG 46 CO 0.09 -1.64 1.58 -1.17 0.02 0.00 0.00 175.30 174.18 1t23 s LEU 47 N 1.33 3.30 0.30 2.53 0.20 0.29 -4.84 118.68 121.80 1t23 s LEU 47 Ca 0.35 -0.71 0.05 0.00 0.69 0.00 0.00 54.13 54.51 1t23 s LEU 47 Cb -0.05 -2.56 -0.03 0.00 -0.43 0.00 0.00 46.19 43.12 1t23 s LEU 47 CO -0.05 -2.02 0.24 0.00 -0.29 0.00 0.00 176.35 174.23 1t23 s ARG 48 N 5.98 1.62 0.22 1.98 1.70 -1.26 0.20 118.95 129.40 1t23 s ARG 48 Ca 0.52 -1.93 -0.01 0.00 -0.47 0.00 0.00 55.73 53.84 1t23 s ARG 48 Cb -0.06 0.29 0.00 0.00 -0.57 0.00 0.00 34.95 34.62 1t23 s ARG 48 CO 0.04 -0.58 0.30 -1.91 -1.08 0.00 0.00 175.30 172.07 1t23 n GLU 49 N -0.54 0.43 -4.70 3.89 0.00 0.25 -4.43 120.64 115.53 1t23 n GLU 49 Ca 0.06 -1.82 -0.31 0.00 0.00 0.00 0.00 57.16 55.09 1t23 n GLU 49 Cb 0.63 1.73 -0.07 0.00 0.00 0.00 0.00 31.44 33.72 1t23 n GLU 49 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.13 178.16 1t23 s ARG 50 N -2.54 2.15 0.00 5.31 1.81 -1.26 -4.44 118.95 119.98 1t23 s ARG 50 Ca 0.19 -2.38 0.00 0.00 -1.72 0.00 0.00 55.73 51.82 1t23 s ARG 50 Cb -0.00 -1.22 0.00 0.00 -0.45 0.00 0.00 34.95 33.28 1t23 s ARG 50 CO 0.14 -0.44 0.00 0.41 -0.68 0.00 0.00 175.30 174.72 1t23 n GLY 51 N -1.20 1.10 3.91 -3.53 0.00 -1.26 -4.78 105.19 99.43 1t23 n GLY 51 Ca -0.17 0.07 -0.28 0.00 0.00 0.00 0.00 46.02 45.64 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 0.00 2.26 -1.00 2.61 -4.23 -1.26 -4.95 115.64 109.06 1t23 s THR 52 Ca 0.00 -0.07 -0.21 0.00 -1.18 0.00 0.00 61.69 60.23 1t23 s THR 52 Cb 0.00 -3.05 0.08 0.00 1.34 0.00 0.00 72.50 70.87 1t23 s THR 52 CO 0.00 -0.06 1.35 -0.54 -0.54 0.00 0.00 174.62 174.84 1t23 s LYS 53 N -5.42 3.61 -0.31 3.99 1.02 -1.26 -4.86 119.74 116.51 1t23 s LYS 53 Ca 0.61 -1.37 0.01 0.00 0.02 0.00 0.00 55.97 55.24 1t23 s LYS 53 Cb -0.11 -5.22 0.10 0.00 -0.52 0.00 0.00 37.83 32.08 1t23 s LYS 53 CO 0.47 -2.07 0.07 0.21 -0.92 0.00 0.00 175.35 173.12 1t23 s LYS 54 N 4.19 1.00 -0.17 1.68 2.20 -1.24 0.33 119.74 127.73 1t23 s LYS 54 Ca 0.42 -1.31 -0.09 0.00 -0.36 0.00 0.00 55.97 54.63 1t23 s LYS 54 Cb -0.01 -2.41 0.06 0.00 -1.51 0.00 0.00 37.83 33.96 1t23 s LYS 54 CO -0.09 -0.95 0.39 0.08 -0.36 0.00 0.00 175.35 174.43 1t23 s VAL 55 N 1.38 -0.08 -0.20 4.02 1.01 0.40 0.86 120.40 127.78 1t23 s VAL 55 Ca 0.09 0.11 -0.04 0.00 0.00 0.00 0.00 61.98 62.14 1t23 s VAL 55 Cb -0.18 -0.59 0.10 0.00 0.00 0.00 0.00 36.38 35.71 1t23 s VAL 55 CO -0.19 0.04 0.25 -2.28 0.00 0.00 0.00 175.10 172.93 1t23 s HIS 56 N 1.50 -0.37 -0.48 5.22 5.04 0.54 0.13 115.29 126.87 1t23 s HIS 56 Ca -0.09 0.36 -0.10 0.00 -1.54 0.00 0.00 55.06 53.69 1t23 s HIS 56 Cb -0.09 -0.28 0.12 0.00 0.04 0.00 0.00 32.58 32.37 1t23 s HIS 56 CO -0.12 -0.61 0.37 0.08 -2.34 0.00 0.00 174.74 172.12 1t23 s VAL 57 N 2.37 4.36 0.38 0.89 1.01 0.27 0.10 120.40 129.78 1t23 s VAL 57 Ca 0.08 -1.75 0.06 0.00 0.00 0.00 0.00 61.98 60.36 1t23 s VAL 57 Cb -0.15 -3.86 -0.02 0.00 0.00 0.00 0.00 36.38 32.34 1t23 s VAL 57 CO -0.12 -0.79 0.21 -0.36 0.00 0.00 0.00 175.10 174.04 1t23 s PHE 58 N 1.39 1.78 -0.03 5.22 0.08 -0.78 0.19 117.98 125.83 1t23 s PHE 58 Ca 0.05 -1.51 0.02 0.00 0.12 0.00 0.00 56.93 55.62 1t23 s PHE 58 Cb -0.27 -0.94 0.01 0.00 -0.57 0.00 0.00 43.02 41.25 1t23 s PHE 58 CO -0.00 -0.61 -0.08 0.15 -0.10 0.00 0.00 175.22 174.58 1t23 s LYS 59 N -3.54 0.88 -0.24 0.44 1.02 -0.54 0.89 119.74 118.65 1t23 s LYS 59 Ca 0.31 -0.25 0.02 0.00 0.02 0.00 0.00 55.97 56.07 1t23 s LYS 59 Cb 0.02 -0.83 0.06 0.00 -0.52 0.00 0.00 37.83 36.55 1t23 s LYS 59 CO 0.21 0.07 -0.09 0.00 -0.92 0.00 0.00 175.35 174.63 1t23 s ALA 60 N 0.30 2.23 0.00 5.17 0.00 -1.09 -1.77 121.76 126.60 1t23 s ALA 60 Ca -0.04 -1.49 0.00 0.00 0.00 0.00 0.00 51.96 50.43 1t23 s ALA 60 Cb -0.09 -1.46 0.00 0.00 0.00 0.00 0.00 23.12 21.57 1t23 s ALA 60 CO 0.00 -1.09 0.00 0.91 0.00 0.00 0.00 175.76 175.58 1t23 n TRP 61 N 4.57 0.00 -3.91 0.00 8.01 0.21 -3.46 117.44 122.86 1t23 n TRP 61 Ca -0.14 0.00 -0.30 0.00 -1.31 0.00 0.00 57.50 55.75 1t23 n TRP 61 Cb 0.44 0.00 -0.14 0.00 -2.01 0.00 0.00 31.31 29.60 1t23 n TRP 61 CO 0.00 0.00 0.00 0.15 -1.01 0.00 0.00 177.69 176.83 1t23 s LYS 62 N -0.52 1.71 0.02 -0.99 -0.14 -1.26 0.72 119.74 119.28 1t23 s LYS 62 Ca 0.00 -2.32 -0.29 0.00 -1.36 0.00 0.00 55.97 52.00 1t23 s LYS 62 Cb 0.00 -3.07 0.11 0.00 -1.68 0.00 0.00 37.83 33.19 1t23 s LYS 62 CO 0.00 -1.08 1.21 -2.00 -0.76 0.00 0.00 175.35 172.72 1t23 s GLU 63 N 0.12 0.58 -0.58 1.68 2.56 0.74 -4.73 118.70 119.06 1t23 s GLU 63 Ca 0.16 -0.32 -0.27 0.00 0.00 0.00 0.00 54.97 54.54 1t23 s GLU 63 Cb -0.24 0.20 -0.01 0.00 2.00 0.00 0.00 34.13 36.08 1t23 s GLU 63 CO -0.02 -0.26 1.72 0.42 -0.56 0.00 0.00 175.26 176.55 1t23 s ILE 64 N -2.62 3.48 0.00 -3.70 1.01 -1.25 -2.18 121.20 115.94 1t23 s ILE 64 Ca 0.14 0.34 0.00 0.00 0.00 0.00 0.00 60.65 61.13 1t23 s ILE 64 Cb 0.03 -4.09 0.00 0.00 0.01 0.00 0.00 42.46 38.42 1t23 s ILE 64 CO -0.03 -0.98 0.00 1.33 0.00 0.00 0.00 174.94 175.26 1t23 n VAL 65 N 7.10 0.00 -4.98 2.92 0.24 -0.75 -4.82 118.33 118.04 1t23 n VAL 65 Ca 0.18 0.00 -0.32 0.00 -2.04 0.00 0.00 64.34 62.15 1t23 n VAL 65 Cb 0.51 -0.90 -0.15 0.00 -1.47 0.00 0.00 33.84 31.83 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 -0.96 3.70 -0.72 -1.34 -1.08 0.28 -0.78 116.67 115.77 1t23 s ASP 66 Ca 0.00 -0.35 -0.26 0.00 -0.52 0.00 0.00 52.55 51.42 1t23 s ASP 66 Cb 0.00 -1.15 -0.01 0.00 -1.46 0.00 0.00 42.92 40.30 1t23 s ASP 66 CO 0.00 0.24 1.74 0.00 0.52 0.00 0.00 175.17 177.67 1t23 s ALA 67 N -0.13 2.23 -0.06 3.66 0.00 -0.29 -4.23 121.76 122.93 1t23 s ALA 67 Ca -0.02 -1.05 -0.30 0.00 0.00 0.00 0.00 51.96 50.59 1t23 s ALA 67 Cb -0.14 -4.36 -0.04 0.00 0.00 0.00 0.00 23.12 18.59 1t23 s ALA 67 CO 0.04 -3.93 1.31 -1.25 0.00 0.00 0.00 175.76 171.93 1t23 s PRO 68 N 6.65 4.29 -1.47 0.00 0.04 -1.26 -3.03 135.00 140.23 1t23 s PRO 68 Ca 0.60 1.80 -0.11 0.00 0.04 0.00 0.00 61.00 63.32 1t23 s PRO 68 Cb -0.10 -3.63 0.07 0.00 0.04 0.00 0.00 34.50 30.88 1t23 s PRO 68 CO 0.14 -0.57 0.78 1.63 0.04 0.00 0.00 177.00 179.02 1t23 n LYS 69 N 5.66 -4.83 0.00 4.56 4.01 -1.26 -4.75 118.16 121.55 1t23 n LYS 69 Ca 0.13 0.61 0.00 0.00 -0.51 0.00 0.00 58.31 58.54 1t23 n LYS 69 Cb 0.45 -5.45 0.00 0.00 -0.51 0.00 0.00 35.03 29.52 1t23 n LYS 69 CO 0.00 0.00 0.00 0.09 -1.11 0.00 0.00 177.40 176.38 1t23 n ASN 70 N -2.62 0.00 -3.77 4.39 3.02 -1.17 -4.69 115.26 110.42 1t23 n ASN 70 Ca 0.00 0.00 -0.28 0.00 -0.03 0.00 0.00 54.58 54.27 1t23 n ASN 70 Cb 0.54 0.00 -0.06 0.00 -0.61 0.00 0.00 39.78 39.65 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 0.00 -0.86 -3.68 3.52 1.85 -1.26 -4.54 116.66 111.69 1t23 n ARG 71 Ca 0.00 0.09 -0.38 0.00 -1.00 0.00 0.00 57.85 56.55 1t23 n ARG 71 Cb 0.00 -3.10 -0.12 0.00 -1.05 0.00 0.00 32.46 28.19 1t23 n ARG 71 CO 0.00 0.00 0.00 -1.25 -0.01 0.00 0.00 177.63 176.37 1t23 s PRO 72 N -5.84 3.12 -0.07 2.89 0.04 -1.26 -4.68 135.00 129.20 1t23 s PRO 72 Ca 0.36 -0.86 -0.09 0.00 0.04 0.00 0.00 61.00 60.45 1t23 s PRO 72 Cb -0.21 -3.53 -0.29 0.00 0.04 0.00 0.00 34.50 30.51 1t23 s PRO 72 CO 0.74 -0.49 0.59 0.00 0.04 0.00 0.00 177.00 177.89 1t23 h ALA 73 N 8.32 0.26 0.11 8.56 0.00 -1.97 -3.38 119.26 131.16 1t23 h ALA 73 Ca -0.30 -1.22 -0.35 0.00 0.00 0.00 0.00 54.91 53.04 1t23 h ALA 73 Cb 1.13 0.52 -0.02 0.00 0.00 0.00 0.00 17.79 19.42 1t23 h ALA 73 CO 0.62 1.13 -1.92 -1.49 0.00 0.00 0.00 179.25 177.59 1t23 h TRP 74 N 0.09 0.42 -1.02 0.00 4.06 -1.97 -3.49 115.95 114.04 1t23 h TRP 74 Ca -0.36 -0.31 0.23 0.00 2.06 0.00 0.00 58.89 60.52 1t23 h TRP 74 Cb 2.08 -0.02 -0.30 0.00 -1.00 0.00 0.00 29.16 29.92 1t23 h TRP 74 CO 0.09 1.64 0.96 1.41 -3.56 0.00 0.00 178.44 178.98 1t23 s MET 75 N -2.57 0.02 0.61 0.49 1.75 -1.26 -5.18 119.30 113.16 1t23 s MET 75 Ca -0.18 0.01 0.03 0.00 -1.25 0.00 0.00 55.69 54.29 1t23 s MET 75 Cb 0.07 0.01 0.08 0.00 2.84 0.00 0.00 34.83 37.83 1t23 s MET 75 CO 0.79 -0.01 0.85 -1.25 -0.65 0.00 0.00 175.02 174.75 1t23 s PRO 76 N -0.60 2.17 -0.11 4.11 0.04 -1.26 -4.62 135.00 134.73 1t23 s PRO 76 Ca 0.09 -1.11 0.13 0.00 0.04 0.00 0.00 61.00 60.15 1t23 s PRO 76 Cb -0.03 -2.48 0.58 0.00 0.04 0.00 0.00 34.50 32.62 1t23 s PRO 76 CO -0.12 -1.00 1.44 0.39 0.04 0.00 0.00 177.00 177.76 1t23 n GLU 77 N -2.48 3.34 -3.27 4.56 1.02 -1.26 -4.64 120.64 117.91 1t23 n GLU 77 Ca 0.12 -2.28 -0.45 0.00 -0.02 0.00 0.00 57.16 54.54 1t23 n GLU 77 Cb 0.60 -1.84 -0.00 0.00 -0.02 0.00 0.00 31.44 30.19 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 -1.91 4.15 0.00 3.49 2.36 -1.25 -0.56 119.74 126.02 1t23 s LYS 78 Ca 0.40 -3.07 0.00 0.00 -2.55 0.00 0.00 55.97 50.76 1t23 s LYS 78 Cb 0.27 -4.63 0.00 0.00 -1.05 0.00 0.00 37.83 32.42 1t23 s LYS 78 CO 0.18 -1.33 0.00 1.51 1.55 0.00 0.00 175.35 177.26 1t23 n ILE 79 N 3.09 0.00 -2.14 5.43 0.13 0.04 -4.74 119.36 121.17 1t23 n ILE 79 Ca 0.25 0.00 -0.43 0.00 -1.10 0.00 0.00 62.75 61.47 1t23 n ILE 79 Cb 0.40 0.00 -0.02 0.00 -0.84 0.00 0.00 39.64 39.18 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 6.06 0.00 9.51 0.01 -1.26 -1.80 113.70 126.22 1t23 s SER 80 Ca 0.00 1.10 0.00 0.00 1.31 0.00 0.00 55.95 58.36 1t23 s SER 80 Cb 0.00 -2.53 0.00 0.00 0.21 0.00 0.00 66.02 63.70 1t23 s SER 80 CO 0.00 -1.61 0.00 1.17 0.41 0.00 0.00 173.24 173.21 1t23 n LYS 81 N 8.31 0.00 -2.43 12.44 4.81 -0.93 -4.81 118.16 135.54 1t23 n LYS 81 Ca 0.20 0.00 -0.42 0.00 -0.87 0.00 0.00 58.31 57.22 1t23 n LYS 81 Cb 0.47 0.00 -0.03 0.00 0.02 0.00 0.00 35.03 35.49 1t23 n LYS 81 CO 0.00 0.00 0.00 -1.25 1.17 0.00 0.00 177.40 177.32 1t23 s PRO 82 N 1.31 4.38 0.69 1.64 0.04 -1.25 0.26 135.00 142.08 1t23 s PRO 82 Ca 0.00 1.73 -0.17 0.00 0.04 0.00 0.00 61.00 62.60 1t23 s PRO 82 Cb 0.00 -3.47 0.01 0.00 0.04 0.00 0.00 34.50 31.07 1t23 s PRO 82 CO 0.00 -0.37 1.19 1.19 0.04 0.00 0.00 177.00 179.05 1t23 n PHE 83 N 4.68 1.49 -3.35 0.56 3.72 0.22 -4.61 117.46 120.18 1t23 n PHE 83 Ca 0.10 0.41 -0.14 0.00 -0.05 0.00 0.00 57.45 57.78 1t23 n PHE 83 Cb 0.46 -2.19 -0.07 0.00 -0.94 0.00 0.00 39.48 36.74 1t23 n PHE 83 CO 0.00 0.00 0.00 0.54 -0.05 0.00 0.00 176.76 177.25 1t23 s VAL 84 N -1.61 -0.47 -0.24 -4.37 0.11 -1.19 -0.62 120.40 112.01 1t23 s VAL 84 Ca 0.79 -0.61 -0.29 0.00 -2.93 0.00 0.00 61.98 58.94 1t23 s VAL 84 Cb -0.36 -0.80 0.00 0.00 -1.53 0.00 0.00 36.38 33.69 1t23 s VAL 84 CO 0.44 -0.44 1.12 -0.54 -3.33 0.00 0.00 175.10 172.36 1t23 s LYS 85 N 2.00 4.19 -0.84 1.54 -0.14 -0.73 -4.73 119.74 121.04 1t23 s LYS 85 Ca 0.13 1.37 -0.22 0.00 -1.36 0.00 0.00 55.97 55.89 1t23 s LYS 85 Cb -0.13 -3.71 0.08 0.00 -1.68 0.00 0.00 37.83 32.39 1t23 s LYS 85 CO -0.19 -0.73 1.17 -1.59 -0.76 0.00 0.00 175.35 173.25 1t23 s LYS 86 N 3.43 3.39 0.56 1.68 0.00 -1.26 -1.46 119.74 126.07 1t23 s LYS 86 Ca 0.48 -1.14 0.09 0.00 0.00 0.00 0.00 55.97 55.40 1t23 s LYS 86 Cb -0.16 -4.71 0.08 0.00 0.00 0.00 0.00 37.83 33.03 1t23 s LYS 86 CO 0.11 -1.93 0.77 -1.21 0.00 0.00 0.00 175.35 173.08 1t23 s GLU 87 N 4.02 2.36 0.11 1.78 0.41 0.51 -4.98 118.70 122.91 1t23 s GLU 87 Ca 0.33 -1.53 -0.35 0.00 -0.41 0.00 0.00 54.97 53.00 1t23 s GLU 87 Cb -0.08 -2.65 -0.18 0.00 -1.78 0.00 0.00 34.13 29.45 1t23 s GLU 87 CO -0.00 -0.79 1.04 0.54 -0.49 0.00 0.00 175.26 175.55 1t23 n ARG 88 N -2.21 0.56 -3.68 1.61 1.74 -1.25 -3.85 116.66 109.57 1t23 n ARG 88 Ca 0.14 0.20 -0.21 0.00 -0.77 0.00 0.00 57.85 57.21 1t23 n ARG 88 Cb 0.61 -1.63 -0.18 0.00 -1.02 0.00 0.00 32.46 30.24 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 -0.19 -0.02 -0.20 0.55 1.01 -1.26 0.95 121.20 122.03 1t23 s ILE 89 Ca 0.79 0.32 -0.03 0.00 0.00 0.00 0.00 60.65 61.73 1t23 s ILE 89 Cb -1.02 -0.26 0.07 0.00 0.01 0.00 0.00 42.46 41.26 1t23 s ILE 89 CO 0.54 0.15 0.06 -1.61 0.00 0.00 0.00 174.94 174.07 1t23 s GLU 90 N 2.13 0.52 0.12 2.79 8.01 0.35 -4.92 118.70 127.70 1t23 s GLU 90 Ca 0.05 -0.41 0.08 0.00 0.01 0.00 0.00 54.97 54.70 1t23 s GLU 90 Cb -0.12 -2.00 -0.04 0.00 -4.31 0.00 0.00 34.13 27.66 1t23 s GLU 90 CO -0.04 -0.69 -0.13 -1.59 0.01 0.00 0.00 175.26 172.82 1t23 s LYS 91 N 1.91 1.98 1.32 1.61 0.00 -1.25 -0.45 119.74 124.85 1t23 s LYS 91 Ca 0.01 -1.11 -0.21 0.00 0.00 0.00 0.00 55.97 54.65 1t23 s LYS 91 Cb -0.17 -2.21 0.33 0.00 0.00 0.00 0.00 37.83 35.78 1t23 s LYS 91 CO -0.11 0.49 1.02 -0.48 0.00 0.00 0.00 175.35 176.27 1t23 s LEU 92 N -2.25 -0.26 0.00 2.77 0.05 1.01 -4.90 118.68 115.10 1t23 s LEU 92 Ca 0.20 0.73 0.00 0.00 0.05 0.00 0.00 54.13 55.11 1t23 s LEU 92 Cb -0.11 -2.29 0.00 0.00 -2.05 0.00 0.00 46.19 41.75 1t23 s LEU 92 CO 0.12 -4.81 0.27 1.21 -0.55 0.00 0.00 176.35 172.60