#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 3.85 0.93 4.04 3.84 -1.26 -5.14 114.94 121.20 1t23 s ASN 2 Ca 0.00 -0.97 -0.15 0.00 0.21 0.00 0.00 52.86 51.96 1t23 s ASN 2 Cb 0.00 -0.44 0.16 0.00 -0.55 0.00 0.00 41.25 40.43 1t23 s ASN 2 CO 0.00 -0.02 1.26 0.28 -2.79 0.00 0.00 177.10 175.83 1t23 s THR 3 N -2.48 1.98 -0.05 -5.21 -1.32 -1.26 -4.91 115.64 102.39 1t23 s THR 3 Ca 0.31 0.00 -0.00 0.00 -1.21 0.00 0.00 61.69 60.79 1t23 s THR 3 Cb -0.04 -2.95 0.03 0.00 -1.51 0.00 0.00 72.50 68.02 1t23 s THR 3 CO 0.17 0.00 -0.00 -0.13 -2.21 0.00 0.00 174.62 172.44 1t23 s ARG 4 N -5.73 0.48 0.35 7.08 1.81 -1.23 -4.94 118.95 116.77 1t23 s ARG 4 Ca 0.69 0.07 -0.26 0.00 -1.72 0.00 0.00 55.73 54.52 1t23 s ARG 4 Cb -0.07 -0.71 -0.09 0.00 -0.45 0.00 0.00 34.95 33.63 1t23 s ARG 4 CO 0.52 -0.19 1.02 1.21 -0.68 0.00 0.00 175.30 177.18 1t23 s ASN 5 N 1.38 7.05 0.21 0.23 2.47 -1.26 -0.32 114.94 124.70 1t23 s ASN 5 Ca -0.04 1.99 -0.01 0.00 0.42 0.00 0.00 52.86 55.21 1t23 s ASN 5 Cb -0.13 -2.59 -0.04 0.00 -1.45 0.00 0.00 41.25 37.04 1t23 s ASN 5 CO -0.02 -0.28 0.16 -0.36 -3.72 0.00 0.00 177.10 172.88 1t23 s PHE 6 N -1.57 1.14 -0.02 0.43 0.08 0.70 -4.89 117.98 113.85 1t23 s PHE 6 Ca 0.53 -1.35 0.00 0.00 0.12 0.00 0.00 56.93 56.23 1t23 s PHE 6 Cb -0.22 -0.52 0.03 0.00 -0.57 0.00 0.00 43.02 41.74 1t23 s PHE 6 CO 0.28 -0.68 0.01 0.14 -0.10 0.00 0.00 175.22 174.88 1t23 s VAL 7 N -4.11 0.06 0.13 -0.44 -7.23 -1.26 -3.36 120.40 104.18 1t23 s VAL 7 Ca 0.38 0.14 -0.11 0.00 -1.81 0.00 0.00 61.98 60.58 1t23 s VAL 7 Cb 0.06 -0.17 0.01 0.00 0.56 0.00 0.00 36.38 36.84 1t23 s VAL 7 CO 0.13 0.11 0.29 -1.48 -0.31 0.00 0.00 175.10 173.84 1t23 s LEU 8 N 0.98 0.95 -0.30 1.32 2.34 -1.16 -4.09 118.68 118.72 1t23 s LEU 8 Ca -0.09 -0.62 -0.02 0.00 0.06 0.00 0.00 54.13 53.45 1t23 s LEU 8 Cb -0.13 1.36 0.12 0.00 -0.56 0.00 0.00 46.19 46.98 1t23 s LEU 8 CO -0.02 -0.83 0.20 -0.60 -1.06 0.00 0.00 176.35 174.04 1t23 s ARG 9 N -3.88 0.27 0.00 1.48 6.06 0.32 -3.65 118.95 119.54 1t23 s ARG 9 Ca 0.08 -0.45 0.00 0.00 -2.50 0.00 0.00 55.73 52.87 1t23 s ARG 9 Cb 0.03 -0.98 0.00 0.00 0.06 0.00 0.00 34.95 34.06 1t23 s ARG 9 CO -0.07 -1.04 0.00 -3.47 -2.50 0.00 0.00 175.30 168.22 1t23 n ASP 10 N 5.18 0.00 -2.20 -2.12 2.03 -0.04 0.31 116.55 119.71 1t23 n ASP 10 Ca -0.03 0.00 -0.07 0.00 0.52 0.00 0.00 54.79 55.21 1t23 n ASP 10 Cb 0.43 0.00 0.04 0.00 -0.72 0.00 0.00 41.12 40.87 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 -1.91 -0.72 -0.67 4.71 0.65 -2.59 120.64 120.12 1t23 n GLU 11 Ca 0.00 0.39 0.00 0.00 -0.01 0.00 0.00 57.16 57.54 1t23 n GLU 11 Cb 0.00 -3.71 0.00 0.00 -1.01 0.00 0.00 31.44 26.72 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 -2.13 -0.62 0.00 1.62 9.92 -0.49 -4.83 116.55 120.02 1t23 n ASP 12 Ca -0.08 0.00 0.00 0.00 -0.53 0.00 0.00 54.79 54.18 1t23 n ASP 12 Cb 0.56 -1.72 0.00 0.00 -0.64 0.00 0.00 41.12 39.32 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 -1.80 -0.03 0.00 0.44 0.00 -1.07 -4.64 105.19 98.09 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 -1.53 0.00 -3.64 1.61 3.02 0.91 -3.45 115.26 112.18 1t23 n ASN 14 Ca 0.00 0.00 -0.09 0.00 -0.03 0.00 0.00 54.58 54.46 1t23 n ASN 14 Cb 0.00 0.00 -0.07 0.00 -0.61 0.00 0.00 39.78 39.10 1t23 n ASN 14 CO 0.00 0.00 0.00 -0.70 -2.62 0.00 0.00 177.26 173.94 1t23 s GLU 15 N 0.00 0.48 -0.22 3.52 2.12 -1.12 -2.85 118.70 120.64 1t23 s GLU 15 Ca 0.00 0.58 -0.05 0.00 0.36 0.00 0.00 54.97 55.86 1t23 s GLU 15 Cb 0.00 0.23 -0.02 0.00 0.26 0.00 0.00 34.13 34.61 1t23 s GLU 15 CO 0.00 -0.06 -0.00 -3.38 -0.54 0.00 0.00 175.26 171.28 1t23 s HIS 16 N 0.24 3.01 -0.30 5.30 -3.43 -0.11 0.12 115.29 120.12 1t23 s HIS 16 Ca 0.03 -0.69 -0.16 0.00 -0.80 0.00 0.00 55.06 53.44 1t23 s HIS 16 Cb -0.05 -2.14 0.22 0.00 -1.43 0.00 0.00 32.58 29.18 1t23 s HIS 16 CO -0.07 -0.43 1.29 0.20 -2.00 0.00 0.00 174.74 173.73 1t23 s GLY 17 N 1.42 0.69 -0.42 -1.38 0.00 -1.24 -3.01 107.32 103.38 1t23 s GLY 17 Ca 0.05 3.91 0.03 0.00 0.00 0.00 0.00 44.72 48.71 1t23 s GLY 17 CO -0.00 2.81 0.17 -1.34 0.00 0.00 0.00 173.10 174.74 1t23 s VAL 18 N 1.05 1.99 0.00 1.40 -7.23 -1.26 -2.99 120.40 113.36 1t23 s VAL 18 Ca -0.08 -2.59 0.00 0.00 -1.81 0.00 0.00 61.98 57.50 1t23 s VAL 18 Cb -0.02 -2.43 0.00 0.00 0.56 0.00 0.00 36.38 34.49 1t23 s VAL 18 CO -0.09 -0.74 0.00 2.22 -0.31 0.00 0.00 175.10 176.17 1t23 n PHE 19 N 3.79 -0.20 -4.06 2.82 1.16 -1.21 -5.02 117.46 114.74 1t23 n PHE 19 Ca 0.04 0.00 -0.30 0.00 -1.87 0.00 0.00 57.45 55.33 1t23 n PHE 19 Cb 0.37 0.00 -0.06 0.00 -1.61 0.00 0.00 39.48 38.18 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 -2.21 4.51 -0.07 1.97 -4.23 -1.26 -0.21 115.64 114.14 1t23 s THR 20 Ca 0.00 -0.81 0.02 0.00 -1.18 0.00 0.00 61.69 59.71 1t23 s THR 20 Cb 0.00 -3.19 0.02 0.00 1.34 0.00 0.00 72.50 70.67 1t23 s THR 20 CO 0.00 0.10 -0.10 -0.83 -0.54 0.00 0.00 174.62 173.25 1t23 s GLY 21 N -2.48 0.72 0.07 3.99 0.00 0.57 -4.80 107.32 105.40 1t23 s GLY 21 Ca 0.29 -0.35 -0.27 0.00 0.00 0.00 0.00 44.72 44.39 1t23 s GLY 21 CO 0.22 0.28 1.64 0.50 0.00 0.00 0.00 173.10 175.75 1t23 h LYS 22 N 7.18 -0.36 -4.24 2.90 1.57 -1.91 -3.25 116.57 118.46 1t23 h LYS 22 Ca -0.32 0.02 -0.73 0.00 -1.87 0.00 0.00 60.65 57.75 1t23 h LYS 22 Cb 1.17 0.08 -0.29 0.00 0.08 0.00 0.00 32.23 33.27 1t23 h LYS 22 CO 0.46 -0.21 -0.37 -0.65 -0.57 0.00 0.00 179.45 178.12 1t23 s GLN 23 N -5.95 2.54 0.53 3.15 1.11 -1.26 -4.80 119.66 114.98 1t23 s GLN 23 Ca -0.15 -1.82 0.19 0.00 0.01 0.00 0.00 55.36 53.59 1t23 s GLN 23 Cb 0.05 -3.96 1.37 0.00 -1.01 0.00 0.00 33.01 29.46 1t23 s GLN 23 CO 0.64 -1.21 2.16 -1.00 0.01 0.00 0.00 175.29 175.89 1t23 h PRO 24 N 8.40 0.00 0.00 2.91 0.13 -1.96 0.65 132.00 142.12 1t23 h PRO 24 Ca -0.20 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.93 1t23 h PRO 24 Cb 1.07 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.20 1t23 h PRO 24 CO 0.86 0.00 -0.20 0.00 -0.23 0.00 0.00 178.00 178.43 1t23 h ARG 25 N 0.00 0.00 -0.45 0.86 3.08 -1.92 -3.12 114.38 112.83 1t23 h ARG 25 Ca 0.01 0.00 -0.07 0.00 0.07 0.00 0.00 59.98 60.00 1t23 h ARG 25 Cb 0.05 0.00 -0.02 0.00 0.08 0.00 0.00 29.97 30.08 1t23 h ARG 25 CO -0.00 0.00 0.03 0.37 -1.07 0.00 0.00 179.97 179.30 1t23 h GLN 26 N -0.88 0.78 0.00 0.04 -0.00 -1.39 -2.68 115.11 110.97 1t23 h GLN 26 Ca 0.00 -0.24 0.00 0.00 -0.00 0.00 0.00 58.65 58.41 1t23 h GLN 26 Cb 0.20 -0.08 0.00 0.00 0.00 0.00 0.00 27.48 27.61 1t23 h GLN 26 CO 0.00 0.83 0.00 0.00 0.00 0.00 0.00 178.83 179.66 1t23 h ALA 27 N 0.93 1.00 0.29 3.38 0.00 0.09 -3.23 119.26 121.72 1t23 h ALA 27 Ca 0.13 0.00 -0.01 0.00 0.00 0.00 0.00 54.91 55.03 1t23 h ALA 27 Cb 0.46 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.25 1t23 h ALA 27 CO 0.02 0.00 -0.14 0.00 0.00 0.00 0.00 179.25 179.13 1t23 h ALA 28 N 2.17 -0.40 0.58 0.00 0.00 -1.41 0.50 119.26 120.71 1t23 h ALA 28 Ca 0.00 -0.11 -0.03 0.00 0.00 0.00 0.00 54.91 54.78 1t23 h ALA 28 Cb 0.57 0.15 0.01 0.00 0.00 0.00 0.00 17.79 18.52 1t23 h ALA 28 CO 0.00 -0.70 -0.28 -0.07 0.00 0.00 0.00 179.25 178.21 1t23 h LEU 29 N -0.45 -0.66 -0.83 0.00 -0.00 -1.62 -2.80 115.31 108.95 1t23 h LEU 29 Ca -0.04 -0.03 0.20 0.00 -0.00 0.00 0.00 57.88 58.00 1t23 h LEU 29 Cb 0.34 0.17 -0.12 0.00 -0.00 0.00 0.00 40.66 41.05 1t23 h LEU 29 CO 0.07 -0.35 0.29 0.11 -0.00 0.00 0.00 178.44 178.55 1t23 h LYS 30 N -0.95 0.32 -0.78 1.13 6.56 -1.57 -0.94 116.57 120.35 1t23 h LYS 30 Ca -0.08 -0.02 0.10 0.00 -1.06 0.00 0.00 60.65 59.59 1t23 h LYS 30 Cb 0.65 -0.07 -0.07 0.00 -0.57 0.00 0.00 32.23 32.16 1t23 h LYS 30 CO 0.13 0.21 0.42 0.00 -2.06 0.00 0.00 179.45 178.15 1t23 h ALA 31 N 1.68 1.10 0.00 3.86 0.00 0.27 -1.29 119.26 124.87 1t23 h ALA 31 Ca 0.50 0.04 -0.11 0.00 0.00 0.00 0.00 54.91 55.34 1t23 h ALA 31 Cb 0.92 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 18.60 1t23 h ALA 31 CO -0.54 0.03 -0.53 0.00 0.00 0.00 0.00 179.25 178.21 1t23 h ALA 32 N 1.45 0.95 -0.98 0.00 0.00 -0.96 -1.93 119.26 117.78 1t23 h ALA 32 Ca 0.38 -0.48 0.26 0.00 0.00 0.00 0.00 54.91 55.07 1t23 h ALA 32 Cb 0.38 -0.08 -0.18 0.00 0.00 0.00 0.00 17.79 17.90 1t23 h ALA 32 CO -0.26 0.66 -0.01 -1.71 0.00 0.00 0.00 179.25 177.93 1t23 n ASN 33 N -3.66 -0.14 0.00 0.00 5.15 -0.48 -3.09 115.26 113.04 1t23 n ASN 33 Ca -0.01 1.67 0.00 0.00 -0.60 0.00 0.00 54.58 55.64 1t23 n ASN 33 Cb 0.59 -0.60 0.00 0.00 -0.53 0.00 0.00 39.78 39.24 1t23 n ASN 33 CO 0.00 0.00 0.00 0.54 1.40 0.00 0.00 177.26 179.20 1t23 n ARG 34 N -5.48 0.00 0.00 1.20 5.12 -1.20 -4.86 116.66 111.44 1t23 n ARG 34 Ca 0.22 0.07 0.03 0.00 -1.93 0.00 0.00 57.85 56.24 1t23 n ARG 34 Cb 0.73 -0.39 -0.00 0.00 -1.16 0.00 0.00 32.46 31.63 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 2.02 -0.18 0.03 -0.13 0.00 -1.16 -4.62 105.19 101.16 1t23 n GLY 35 Ca 0.00 -0.20 0.14 0.00 0.00 0.00 0.00 46.02 45.96 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 -0.36 0.19 -3.59 1.61 7.64 -0.74 -3.88 113.62 114.49 1t23 n SER 36 Ca 0.03 -0.10 -0.23 0.00 1.01 0.00 0.00 58.87 59.58 1t23 n SER 36 Cb 0.14 -0.23 -0.16 0.00 -1.01 0.00 0.00 64.21 62.96 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 -2.71 0.23 0.54 0.23 0.00 -1.18 -0.93 107.32 103.50 1t23 s GLY 37 Ca 0.23 -0.06 0.33 0.00 0.00 0.00 0.00 44.72 45.21 1t23 s GLY 37 CO 0.51 1.79 2.01 -0.84 0.00 0.00 0.00 173.10 176.57 1t23 h THR 38 N 6.39 0.12 0.00 0.90 2.02 -1.78 -3.42 112.91 117.15 1t23 h THR 38 Ca -0.15 -0.56 0.00 0.00 0.77 0.00 0.00 66.41 66.47 1t23 h THR 38 Cb 1.15 1.49 0.00 0.00 -1.74 0.00 0.00 68.15 69.04 1t23 h THR 38 CO 0.26 0.04 0.00 1.17 0.37 0.00 0.00 175.52 177.36 1t23 n LYS 39 N -3.17 0.00 0.18 6.66 4.81 -1.26 -3.80 118.16 121.57 1t23 n LYS 39 Ca -0.00 0.00 0.04 0.00 -0.87 0.00 0.00 58.31 57.48 1t23 n LYS 39 Cb 0.30 0.00 0.32 0.00 0.02 0.00 0.00 35.03 35.67 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 1.10 -1.81 3.14 0.00 -1.97 -3.32 119.26 116.39 1t23 h ALA 40 Ca 0.00 -0.39 -0.52 0.00 0.00 0.00 0.00 54.91 54.00 1t23 h ALA 40 Cb 0.00 -0.07 -0.36 0.00 0.00 0.00 0.00 17.79 17.36 1t23 h ALA 40 CO 0.00 0.53 -1.02 0.09 0.00 0.00 0.00 179.25 178.85 1t23 n ASN 41 N -3.74 -0.28 -4.75 0.00 4.13 -1.25 -4.97 115.26 104.40 1t23 n ASN 41 Ca -0.01 -2.73 -0.24 0.00 1.68 0.00 0.00 54.58 53.28 1t23 n ASN 41 Cb 0.50 -0.33 -0.07 0.00 -1.54 0.00 0.00 39.78 38.34 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 -0.82 2.27 0.00 3.52 0.04 -1.25 -0.25 135.00 138.51 1t23 s PRO 42 Ca 0.34 -1.78 0.00 0.00 0.04 0.00 0.00 61.00 59.60 1t23 s PRO 42 Cb 0.16 -2.04 0.00 0.00 0.04 0.00 0.00 34.50 32.66 1t23 s PRO 42 CO -0.13 -0.10 0.00 -3.47 0.04 0.00 0.00 177.00 173.33 1t23 n ASP 43 N -1.26 0.00 -4.67 6.66 2.03 -1.22 -3.43 116.55 114.66 1t23 n ASP 43 Ca -0.01 -0.75 -0.41 0.00 0.52 0.00 0.00 54.79 54.14 1t23 n ASP 43 Cb 0.64 0.00 -0.04 0.00 -0.72 0.00 0.00 41.12 41.00 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 -2.61 4.87 -0.27 5.18 -0.00 -1.22 -2.77 121.20 124.38 1t23 s ILE 44 Ca 0.00 1.66 -0.07 0.00 -0.00 0.00 0.00 60.65 62.24 1t23 s ILE 44 Cb 0.00 -4.15 -0.01 0.00 -0.00 0.00 0.00 42.46 38.30 1t23 s ILE 44 CO 0.00 0.02 0.06 -0.51 -0.00 0.00 0.00 174.94 174.51 1t23 s ILE 45 N 2.18 4.00 -1.00 8.37 1.10 0.44 -3.77 121.20 132.52 1t23 s ILE 45 Ca 0.39 -0.47 -0.19 0.00 -0.51 0.00 0.00 60.65 59.87 1t23 s ILE 45 Cb -0.17 -2.95 0.12 0.00 0.15 0.00 0.00 42.46 39.61 1t23 s ILE 45 CO 0.12 0.23 1.25 -0.13 -2.11 0.00 0.00 174.94 174.30 1t23 s ARG 46 N 1.54 3.69 -0.89 3.50 0.52 -1.26 -2.17 118.95 123.88 1t23 s ARG 46 Ca 0.04 -1.80 -0.25 0.00 -0.52 0.00 0.00 55.73 53.21 1t23 s ARG 46 Cb -0.16 -5.03 0.03 0.00 0.52 0.00 0.00 34.95 30.32 1t23 s ARG 46 CO 0.02 -1.86 1.42 -1.17 0.02 0.00 0.00 175.30 173.73 1t23 s LEU 47 N 2.92 3.34 0.36 2.53 0.20 0.24 -4.81 118.68 123.46 1t23 s LEU 47 Ca 0.37 -0.94 0.05 0.00 0.69 0.00 0.00 54.13 54.30 1t23 s LEU 47 Cb -0.03 -2.56 -0.03 0.00 -0.43 0.00 0.00 46.19 43.13 1t23 s LEU 47 CO -0.07 -1.73 0.21 0.00 -0.29 0.00 0.00 176.35 174.46 1t23 s ARG 48 N 5.46 1.81 -0.27 1.98 1.04 -1.26 0.81 118.95 128.52 1t23 s ARG 48 Ca 0.43 -2.07 -0.07 0.00 -1.04 0.00 0.00 55.73 52.98 1t23 s ARG 48 Cb -0.04 -0.06 0.13 0.00 -2.04 0.00 0.00 34.95 32.94 1t23 s ARG 48 CO 0.02 -0.57 0.56 -2.00 -0.04 0.00 0.00 175.30 173.26 1t23 s GLU 49 N -3.59 0.49 0.96 3.89 2.12 0.16 -4.20 118.70 118.54 1t23 s GLU 49 Ca 0.33 1.20 -0.14 0.00 0.36 0.00 0.00 54.97 56.72 1t23 s GLU 49 Cb 0.03 0.57 0.17 0.00 0.26 0.00 0.00 34.13 35.16 1t23 s GLU 49 CO 0.22 -0.32 1.17 -0.98 -0.54 0.00 0.00 175.26 174.80 1t23 s ARG 50 N 2.79 0.71 0.00 4.30 1.70 -1.26 -3.76 118.95 123.42 1t23 s ARG 50 Ca 0.01 0.11 0.00 0.00 -0.47 0.00 0.00 55.73 55.38 1t23 s ARG 50 Cb -0.13 -1.81 0.00 0.00 -0.57 0.00 0.00 34.95 32.45 1t23 s ARG 50 CO -0.17 -2.46 0.00 0.41 -1.08 0.00 0.00 175.30 172.00 1t23 n GLY 51 N -2.31 2.22 2.78 3.88 0.00 -1.26 -4.91 105.19 105.59 1t23 n GLY 51 Ca 0.09 -0.38 -0.20 0.00 0.00 0.00 0.00 46.02 45.53 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 -2.92 2.61 -2.24 -1.26 -5.05 114.28 105.42 1t23 n THR 52 Ca 0.00 -1.63 -0.44 0.00 -2.27 0.00 0.00 64.05 59.71 1t23 n THR 52 Cb 0.00 -0.07 -0.04 0.00 -2.10 0.00 0.00 70.33 68.13 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 -3.61 3.24 -0.22 -0.78 -0.14 -1.26 -4.84 119.74 112.14 1t23 s LYS 53 Ca 0.19 -1.20 -0.04 0.00 -1.36 0.00 0.00 55.97 53.57 1t23 s LYS 53 Cb -0.02 -4.44 0.10 0.00 -1.68 0.00 0.00 37.83 31.80 1t23 s LYS 53 CO 0.12 -1.76 0.26 0.15 -0.76 0.00 0.00 175.35 173.37 1t23 s LYS 54 N 3.41 0.23 -0.03 1.68 1.02 -1.25 0.37 119.74 125.17 1t23 s LYS 54 Ca 0.23 0.26 -0.22 0.00 0.02 0.00 0.00 55.97 56.27 1t23 s LYS 54 Cb -0.15 -1.02 0.04 0.00 -0.52 0.00 0.00 37.83 36.19 1t23 s LYS 54 CO 0.04 -0.67 0.47 0.08 -0.92 0.00 0.00 175.35 174.35 1t23 s VAL 55 N 2.38 0.03 -0.29 3.17 1.01 0.21 0.40 120.40 127.30 1t23 s VAL 55 Ca 0.08 -0.26 -0.12 0.00 0.00 0.00 0.00 61.98 61.68 1t23 s VAL 55 Cb -0.16 -0.78 0.12 0.00 0.00 0.00 0.00 36.38 35.57 1t23 s VAL 55 CO -0.14 -0.14 0.69 -2.28 0.00 0.00 0.00 175.10 173.22 1t23 s HIS 56 N -1.23 -1.22 -0.40 5.22 5.04 0.24 0.01 115.29 122.94 1t23 s HIS 56 Ca -0.12 2.19 -0.03 0.00 -1.54 0.00 0.00 55.06 55.57 1t23 s HIS 56 Cb -0.03 0.73 0.11 0.00 0.04 0.00 0.00 32.58 33.43 1t23 s HIS 56 CO 0.07 -0.61 0.19 0.08 -2.34 0.00 0.00 174.74 172.13 1t23 s VAL 57 N 2.53 3.25 0.34 0.89 1.01 -0.46 0.83 120.40 128.80 1t23 s VAL 57 Ca -0.07 -2.03 0.02 0.00 0.00 0.00 0.00 61.98 59.90 1t23 s VAL 57 Cb -0.10 -3.22 -0.01 0.00 0.00 0.00 0.00 36.38 33.05 1t23 s VAL 57 CO -0.19 -0.66 0.39 -0.36 0.00 0.00 0.00 175.10 174.28 1t23 s PHE 58 N 1.14 1.35 -0.03 5.22 0.08 -0.92 0.17 117.98 124.98 1t23 s PHE 58 Ca 0.08 -1.45 0.02 0.00 0.12 0.00 0.00 56.93 55.70 1t23 s PHE 58 Cb -0.23 -0.34 0.01 0.00 -0.57 0.00 0.00 43.02 41.89 1t23 s PHE 58 CO -0.04 -1.03 -0.09 0.15 -0.10 0.00 0.00 175.22 174.11 1t23 s LYS 59 N -3.21 1.09 -0.25 0.44 1.02 -0.71 0.17 119.74 118.29 1t23 s LYS 59 Ca 0.35 -0.32 0.02 0.00 0.02 0.00 0.00 55.97 56.04 1t23 s LYS 59 Cb 0.01 -0.99 0.06 0.00 -0.52 0.00 0.00 37.83 36.39 1t23 s LYS 59 CO 0.23 0.09 -0.07 0.00 -0.92 0.00 0.00 175.35 174.69 1t23 s ALA 60 N 0.30 2.20 0.00 5.17 0.00 -1.12 -2.07 121.76 126.24 1t23 s ALA 60 Ca -0.05 -1.53 0.00 0.00 0.00 0.00 0.00 51.96 50.38 1t23 s ALA 60 Cb -0.10 -1.50 0.00 0.00 0.00 0.00 0.00 23.12 21.52 1t23 s ALA 60 CO 0.01 -1.21 0.00 0.91 0.00 0.00 0.00 175.76 175.47 1t23 n TRP 61 N 4.58 0.00 -3.83 0.00 8.01 -0.25 -3.40 117.44 122.55 1t23 n TRP 61 Ca -0.12 0.00 -0.29 0.00 -1.31 0.00 0.00 57.50 55.77 1t23 n TRP 61 Cb 0.43 0.00 -0.13 0.00 -2.01 0.00 0.00 31.31 29.60 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 0.08 1.72 0.16 -0.99 2.36 -1.26 -0.62 119.74 121.19 1t23 s LYS 62 Ca 0.00 -2.44 -0.25 0.00 -2.55 0.00 0.00 55.97 50.73 1t23 s LYS 62 Cb 0.00 -2.88 0.07 0.00 -1.05 0.00 0.00 37.83 33.97 1t23 s LYS 62 CO 0.00 -1.16 0.99 -1.21 1.55 0.00 0.00 175.35 175.52 1t23 s GLU 63 N -0.16 1.20 -0.69 4.03 2.02 0.91 -4.78 118.70 121.23 1t23 s GLU 63 Ca 0.19 -0.69 -0.26 0.00 0.02 0.00 0.00 54.97 54.22 1t23 s GLU 63 Cb -0.22 0.39 -0.01 0.00 0.10 0.00 0.00 34.13 34.39 1t23 s GLU 63 CO -0.02 -0.55 1.73 0.42 0.02 0.00 0.00 175.26 176.85 1t23 s ILE 64 N -3.04 3.47 0.00 -1.63 1.01 -1.25 -1.73 121.20 118.02 1t23 s ILE 64 Ca 0.14 0.14 0.00 0.00 0.00 0.00 0.00 60.65 60.93 1t23 s ILE 64 Cb -0.01 -4.21 0.00 0.00 0.01 0.00 0.00 42.46 38.25 1t23 s ILE 64 CO 0.03 -1.17 0.00 1.33 0.00 0.00 0.00 174.94 175.13 1t23 n VAL 65 N 7.10 0.00 -5.27 2.92 0.24 -0.93 -4.83 118.33 117.55 1t23 n VAL 65 Ca 0.19 0.00 -0.31 0.00 -2.04 0.00 0.00 64.34 62.18 1t23 n VAL 65 Cb 0.51 -1.29 -0.16 0.00 -1.47 0.00 0.00 33.84 31.43 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 3.04 -0.58 -1.34 2.15 -0.01 -1.89 116.67 117.04 1t23 s ASP 66 Ca 0.00 -0.49 -0.27 0.00 0.43 0.00 0.00 52.55 52.22 1t23 s ASP 66 Cb 0.00 -0.66 -0.03 0.00 -0.30 0.00 0.00 42.92 41.93 1t23 s ASP 66 CO 0.00 0.27 1.91 0.00 -0.17 0.00 0.00 175.17 177.18 1t23 s ALA 67 N -0.31 2.15 0.57 3.66 0.00 -0.48 -4.31 121.76 123.05 1t23 s ALA 67 Ca 0.01 -0.53 0.00 0.00 0.00 0.00 0.00 51.96 51.44 1t23 s ALA 67 Cb -0.12 -4.29 0.00 0.00 0.00 0.00 0.00 23.12 18.70 1t23 s ALA 67 CO 0.02 -3.88 0.00 -0.35 0.00 0.00 0.00 175.76 171.55 1t23 n PRO 68 N 9.12 2.82 -0.61 0.00 -0.04 -1.26 -4.66 135.00 140.38 1t23 n PRO 68 Ca 0.22 0.00 -0.20 0.00 -0.04 0.00 0.00 63.50 63.48 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 0.00 1.43 -0.00 0.54 4.01 -1.26 -4.19 118.16 118.69 1t23 n LYS 69 Ca 0.00 -1.26 0.11 0.00 -0.51 0.00 0.00 58.31 56.64 1t23 n LYS 69 Cb 0.00 -2.41 -0.13 0.00 -0.51 0.00 0.00 35.03 31.98 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 5.01 0.52 -3.84 4.39 5.03 -1.26 -4.95 115.26 120.16 1t23 n ASN 70 Ca 0.35 -0.49 -0.26 0.00 0.87 0.00 0.00 54.58 55.04 1t23 n ASN 70 Cb 0.15 1.45 0.01 0.00 -1.02 0.00 0.00 39.78 40.36 1t23 n ASN 70 CO 0.00 0.00 0.00 0.54 -1.83 0.00 0.00 177.26 175.97 1t23 n ARG 71 N -1.88 -3.05 -3.38 3.52 3.00 -1.26 -2.17 116.66 111.44 1t23 n ARG 71 Ca 0.00 0.46 -0.44 0.00 -0.01 0.00 0.00 57.85 57.86 1t23 n ARG 71 Cb 0.45 -4.54 -0.09 0.00 0.00 0.00 0.00 32.46 28.29 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 -6.30 3.01 0.03 5.56 0.04 -1.26 -4.65 135.00 131.44 1t23 s PRO 72 Ca 0.13 -1.06 0.07 0.00 0.04 0.00 0.00 61.00 60.17 1t23 s PRO 72 Cb -0.05 -4.04 -0.23 0.00 0.04 0.00 0.00 34.50 30.22 1t23 s PRO 72 CO 0.87 -0.91 0.95 0.00 0.04 0.00 0.00 177.00 177.95 1t23 h ALA 73 N 8.73 0.49 0.06 8.56 0.00 -1.99 -3.35 119.26 131.76 1t23 h ALA 73 Ca -0.27 -1.17 -0.27 0.00 0.00 0.00 0.00 54.91 53.20 1t23 h ALA 73 Cb 1.11 0.18 -0.02 0.00 0.00 0.00 0.00 17.79 19.06 1t23 h ALA 73 CO 0.81 1.35 -1.36 -1.49 0.00 0.00 0.00 179.25 178.57 1t23 h TRP 74 N 0.02 0.22 -0.60 0.00 4.06 -2.01 -3.45 115.95 114.18 1t23 h TRP 74 Ca -0.17 -0.16 0.16 0.00 2.06 0.00 0.00 58.89 60.79 1t23 h TRP 74 Cb 1.92 -0.01 -0.21 0.00 -1.00 0.00 0.00 29.16 29.86 1t23 h TRP 74 CO 0.01 1.17 -0.08 -1.64 -3.56 0.00 0.00 178.44 174.34 1t23 s MET 75 N -2.65 0.34 1.00 0.49 -1.94 -1.26 -5.17 119.30 110.12 1t23 s MET 75 Ca -0.04 0.52 -0.17 0.00 -1.71 0.00 0.00 55.69 54.28 1t23 s MET 75 Cb 0.08 0.28 0.23 0.00 2.01 0.00 0.00 34.83 37.43 1t23 s MET 75 CO 0.84 -0.46 1.34 -0.35 -0.01 0.00 0.00 175.02 176.38 1t23 n PRO 76 N 5.39 -1.40 -0.70 2.03 -0.04 -1.25 -4.78 135.00 134.25 1t23 n PRO 76 Ca -0.01 -2.07 0.06 0.00 -0.04 0.00 0.00 63.50 61.44 1t23 n PRO 76 Cb 0.54 -1.40 0.33 0.00 -0.04 0.00 0.00 33.50 32.93 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 -3.90 4.04 -2.76 0.54 -0.58 -1.26 -4.61 120.64 112.11 1t23 n GLU 77 Ca 0.17 -2.57 -0.43 0.00 -0.42 0.00 0.00 57.16 53.90 1t23 n GLU 77 Cb 0.59 -2.07 0.00 0.00 -0.57 0.00 0.00 31.44 29.39 1t23 n GLU 77 CO 0.00 0.00 0.00 1.17 -0.48 0.00 0.00 177.13 177.82 1t23 n LYS 78 N 0.61 3.50 -3.62 3.49 4.81 -1.26 -0.83 118.16 124.86 1t23 n LYS 78 Ca 0.23 -3.79 0.04 0.00 -0.87 0.00 0.00 58.31 53.92 1t23 n LYS 78 Cb 0.98 -2.96 0.00 0.00 0.02 0.00 0.00 35.03 33.07 1t23 n LYS 78 CO 0.00 0.00 0.00 -1.50 1.17 0.00 0.00 177.40 177.07 1t23 s ILE 79 N 0.88 0.00 -0.36 3.15 2.07 -0.79 -4.78 121.20 121.37 1t23 s ILE 79 Ca 0.41 -0.00 -0.29 0.00 -1.41 0.00 0.00 60.65 59.36 1t23 s ILE 79 Cb 0.01 -2.15 -0.01 0.00 0.13 0.00 0.00 42.46 40.45 1t23 s ILE 79 CO 0.00 0.00 1.61 -0.55 -1.91 0.00 0.00 174.94 174.09 1t23 s SER 80 N -3.15 6.13 0.00 4.50 0.15 -1.26 -2.18 113.70 117.89 1t23 s SER 80 Ca 0.18 1.11 0.00 0.00 0.70 0.00 0.00 55.95 57.94 1t23 s SER 80 Cb 0.07 -2.53 0.00 0.00 -1.71 0.00 0.00 66.02 61.85 1t23 s SER 80 CO -0.06 -1.55 0.00 0.29 1.20 0.00 0.00 173.24 173.12 1t23 n LYS 81 N 8.21 0.00 -2.81 5.44 5.02 -0.71 -4.81 118.16 128.50 1t23 n LYS 81 Ca 0.20 0.00 -0.41 0.00 -2.02 0.00 0.00 58.31 56.07 1t23 n LYS 81 Cb 0.47 0.00 -0.04 0.00 -0.02 0.00 0.00 35.03 35.44 1t23 n LYS 81 CO 0.00 0.00 0.00 -1.25 -0.52 0.00 0.00 177.40 175.63 1t23 s PRO 82 N 1.55 4.54 0.69 1.97 0.04 -1.25 0.31 135.00 142.85 1t23 s PRO 82 Ca 0.00 1.27 -0.16 0.00 0.04 0.00 0.00 61.00 62.14 1t23 s PRO 82 Cb 0.00 -3.44 0.01 0.00 0.04 0.00 0.00 34.50 31.11 1t23 s PRO 82 CO 0.00 0.02 1.23 -0.06 0.04 0.00 0.00 177.00 178.23 1t23 s PHE 83 N 0.81 2.10 -0.32 0.56 0.08 0.21 -4.62 117.98 116.80 1t23 s PHE 83 Ca 0.47 1.56 0.01 0.00 0.12 0.00 0.00 56.93 59.08 1t23 s PHE 83 Cb -0.20 -3.54 0.14 0.00 -0.57 0.00 0.00 43.02 38.85 1t23 s PHE 83 CO 0.25 -2.66 0.32 0.14 -0.10 0.00 0.00 175.22 173.17 1t23 s VAL 84 N -1.76 -0.36 0.04 -0.44 -7.23 -1.20 -1.09 120.40 108.37 1t23 s VAL 84 Ca 0.77 -0.68 -0.30 0.00 -1.81 0.00 0.00 61.98 59.96 1t23 s VAL 84 Cb -0.32 -0.90 -0.05 0.00 0.56 0.00 0.00 36.38 35.67 1t23 s VAL 84 CO 0.42 -0.52 1.19 -0.54 -0.31 0.00 0.00 175.10 175.34 1t23 s LYS 85 N 2.04 4.42 -0.84 4.82 3.01 -0.88 -4.73 119.74 127.59 1t23 s LYS 85 Ca 0.12 1.74 -0.11 0.00 -1.01 0.00 0.00 55.97 56.71 1t23 s LYS 85 Cb -0.15 -3.39 0.22 0.00 -1.01 0.00 0.00 37.83 33.51 1t23 s LYS 85 CO -0.23 -0.28 0.76 -1.59 0.51 0.00 0.00 175.35 174.52 1t23 s LYS 86 N 1.24 3.50 0.42 1.68 0.00 -1.26 -1.74 119.74 123.58 1t23 s LYS 86 Ca 0.58 -2.63 -0.01 0.00 0.00 0.00 0.00 55.97 53.91 1t23 s LYS 86 Cb -0.28 -4.30 -0.02 0.00 0.00 0.00 0.00 37.83 33.22 1t23 s LYS 86 CO 0.28 -1.26 0.66 -1.21 0.00 0.00 0.00 175.35 173.82 1t23 s GLU 87 N -0.17 3.34 0.66 1.78 8.01 0.44 -4.99 118.70 127.78 1t23 s GLU 87 Ca 0.20 -0.23 -0.17 0.00 0.01 0.00 0.00 54.97 54.78 1t23 s GLU 87 Cb -0.12 -2.54 -0.04 0.00 -4.31 0.00 0.00 34.13 27.12 1t23 s GLU 87 CO -0.08 -0.11 0.75 0.54 0.01 0.00 0.00 175.26 176.36 1t23 n ARG 88 N -2.04 0.55 -4.26 1.61 5.12 -1.26 -3.73 116.66 112.66 1t23 n ARG 88 Ca -0.01 0.23 -0.16 0.00 -1.93 0.00 0.00 57.85 55.98 1t23 n ARG 88 Cb 0.56 -1.98 -0.10 0.00 -1.16 0.00 0.00 32.46 29.78 1t23 n ARG 88 CO 0.00 0.00 0.00 0.42 -1.93 0.00 0.00 177.63 176.12 1t23 s ILE 89 N -1.74 1.28 -0.02 0.55 1.01 -1.26 -1.36 121.20 119.67 1t23 s ILE 89 Ca 0.71 -1.97 -0.09 0.00 0.00 0.00 0.00 60.65 59.31 1t23 s ILE 89 Cb -0.39 -1.76 0.01 0.00 0.01 0.00 0.00 42.46 40.33 1t23 s ILE 89 CO 0.52 -0.63 0.19 -1.61 0.00 0.00 0.00 174.94 173.41 1t23 s GLU 90 N -3.39 0.48 -0.06 2.79 0.41 0.10 -4.91 118.70 114.13 1t23 s GLU 90 Ca 0.15 -0.23 -0.13 0.00 -0.41 0.00 0.00 54.97 54.34 1t23 s GLU 90 Cb -0.00 0.21 0.03 0.00 -1.78 0.00 0.00 34.13 32.58 1t23 s GLU 90 CO 0.02 -0.11 0.31 0.21 -0.49 0.00 0.00 175.26 175.19 1t23 s LYS 91 N -1.11 0.54 0.96 1.61 2.36 -1.26 0.63 119.74 123.48 1t23 s LYS 91 Ca -0.12 0.06 -0.16 0.00 -2.55 0.00 0.00 55.97 53.20 1t23 s LYS 91 Cb -0.06 0.25 0.23 0.00 -1.05 0.00 0.00 37.83 37.20 1t23 s LYS 91 CO 0.02 -0.12 0.95 1.47 1.55 0.00 0.00 175.35 179.22 1t23 n LEU 92 N 1.96 0.00 0.00 5.43 -0.00 1.19 -4.85 117.00 120.73 1t23 n LEU 92 Ca -0.18 -1.02 0.06 0.00 -0.00 0.00 0.00 56.01 54.87 1t23 n LEU 92 Cb 0.57 -0.83 0.35 0.00 -0.00 0.00 0.00 43.42 43.51 1t23 n LEU 92 CO 0.19 -1.79 0.57 1.21 -0.00 0.00 0.00 177.39 177.57