#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1x4j n SER 2 N 0.00 5.38 -3.64 1.61 7.64 -1.26 -4.94 113.62 118.42 1x4j n SER 2 Ca 0.00 -3.75 -0.28 0.00 1.01 0.00 0.00 58.87 55.85 1x4j n SER 2 Cb 0.00 -0.47 -0.16 0.00 -1.01 0.00 0.00 64.21 62.57 1x4j n SER 2 CO 0.00 0.00 0.00 -0.55 -3.01 0.00 0.00 175.04 171.48 1x4j s SER 3 N -3.26 3.00 0.00 6.43 0.15 -1.26 -4.89 113.70 113.87 1x4j s SER 3 Ca 0.53 -0.97 0.00 0.00 0.70 0.00 0.00 55.95 56.21 1x4j s SER 3 Cb 0.42 -0.43 0.00 0.00 -1.71 0.00 0.00 66.02 64.30 1x4j s SER 3 CO -0.02 -0.37 0.00 0.61 1.20 0.00 0.00 173.24 174.66 1x4j n GLY 4 N 5.17 0.70 0.10 9.45 0.00 -1.26 -5.07 105.19 114.27 1x4j n GLY 4 Ca -0.07 -0.41 -0.16 0.00 0.00 0.00 0.00 46.02 45.39 1x4j n GLY 4 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 1x4j n SER 5 N 0.00 1.88 -4.77 1.61 2.88 -1.26 -4.92 113.62 109.05 1x4j n SER 5 Ca 0.00 0.45 -0.35 0.00 -1.33 0.00 0.00 58.87 57.64 1x4j n SER 5 Cb 0.00 -0.86 0.01 0.00 -0.75 0.00 0.00 64.21 62.61 1x4j n SER 5 CO 0.00 0.00 0.00 -0.55 -1.23 0.00 0.00 175.04 173.26 1x4j s SER 6 N -6.46 5.58 0.00 -3.46 0.15 -1.26 -3.76 113.70 104.49 1x4j s SER 6 Ca -0.27 2.23 0.00 0.00 0.70 0.00 0.00 55.95 58.61 1x4j s SER 6 Cb 0.06 -2.59 0.00 0.00 -1.71 0.00 0.00 66.02 61.79 1x4j s SER 6 CO 0.42 -1.32 0.00 0.61 1.20 0.00 0.00 173.24 174.16 1x4j n GLY 7 N 0.25 3.04 3.05 9.45 0.00 -1.26 -5.04 105.19 114.68 1x4j n GLY 7 Ca 0.12 -1.00 -0.15 0.00 0.00 0.00 0.00 46.02 44.99 1x4j n GLY 7 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1x4j s GLN 8 N 0.00 0.57 0.75 1.61 -0.21 -1.25 -5.14 119.66 116.00 1x4j s GLN 8 Ca 0.00 -0.61 -0.15 0.00 0.02 0.00 0.00 55.36 54.62 1x4j s GLN 8 Cb 0.00 -0.44 0.04 0.00 1.00 0.00 0.00 33.01 33.61 1x4j s GLN 8 CO 0.00 0.10 1.16 1.28 -2.12 0.00 0.00 175.29 175.71 1x4j n LEU 9 N 1.93 4.51 -4.73 2.90 4.77 -1.26 -4.93 117.00 120.19 1x4j n LEU 9 Ca -0.19 0.66 -0.42 0.00 -0.03 0.00 0.00 56.01 56.03 1x4j n LEU 9 Cb 0.56 -1.49 -0.03 0.00 -2.33 0.00 0.00 43.42 40.12 1x4j n LEU 9 CO 0.22 -1.65 1.01 -2.16 -1.33 0.00 0.00 177.39 173.48 1x4j s PRO 10 N -3.75 4.37 -0.20 3.23 0.04 -1.26 -5.02 135.00 132.40 1x4j s PRO 10 Ca 0.75 2.04 -0.10 0.00 0.04 0.00 0.00 61.00 63.73 1x4j s PRO 10 Cb -0.32 -3.23 -0.05 0.00 0.04 0.00 0.00 34.50 30.94 1x4j s PRO 10 CO 0.48 -0.32 0.14 -1.54 0.04 0.00 0.00 177.00 175.80 1x4j s SER 11 N 0.68 6.21 -0.14 6.66 1.04 -1.26 -4.63 113.70 122.27 1x4j s SER 11 Ca 0.60 0.23 -0.22 0.00 0.48 0.00 0.00 55.95 57.04 1x4j s SER 11 Cb -0.36 -2.09 0.05 0.00 0.10 0.00 0.00 66.02 63.72 1x4j s SER 11 CO 0.34 0.17 0.56 -0.72 0.98 0.00 0.00 173.24 174.58 1x4j s TYR 12 N 0.39 -0.56 -0.23 5.02 1.13 -1.26 -5.10 117.35 116.74 1x4j s TYR 12 Ca 0.08 1.21 -0.19 0.00 -1.41 0.00 0.00 57.07 56.76 1x4j s TYR 12 Cb -0.11 0.25 -0.03 0.00 -1.10 0.00 0.00 41.96 40.97 1x4j s TYR 12 CO -0.02 -0.40 0.58 1.03 -2.51 0.00 0.00 175.55 174.23 1x4j s ARG 13 N -0.38 4.14 0.25 -3.49 0.52 -1.26 -3.61 118.95 115.12 1x4j s ARG 13 Ca -0.05 0.48 -0.29 0.00 -0.52 0.00 0.00 55.73 55.35 1x4j s ARG 13 Cb -0.03 -3.61 -0.15 0.00 0.52 0.00 0.00 34.95 31.68 1x4j s ARG 13 CO 0.04 -0.29 0.91 0.34 0.02 0.00 0.00 175.30 176.31 1x4j n PHE 14 N 5.30 0.85 -3.95 -0.53 -0.00 -1.21 -4.85 117.46 113.05 1x4j n PHE 14 Ca -0.03 0.77 -0.29 0.00 -0.00 0.00 0.00 57.45 57.91 1x4j n PHE 14 Cb 0.50 -2.18 -0.17 0.00 -0.00 0.00 0.00 39.48 37.63 1x4j n PHE 14 CO 0.00 0.00 0.00 1.21 -0.00 0.00 0.00 176.76 177.97 1x4j s ASN 15 N -0.61 2.66 0.00 -2.13 3.04 -1.26 -3.33 114.94 113.31 1x4j s ASN 15 Ca 0.61 -0.52 0.11 0.00 0.04 0.00 0.00 52.86 53.10 1x4j s ASN 15 Cb -0.77 -1.03 0.64 0.00 -1.54 0.00 0.00 41.25 38.55 1x4j s ASN 15 CO 0.58 -0.11 1.08 -0.81 -3.04 0.00 0.00 177.10 174.80 1x4j n PRO 16 N 4.83 0.49 -0.13 0.43 -0.04 -1.26 -2.82 135.00 136.50 1x4j n PRO 16 Ca -0.14 0.00 -0.23 0.00 -0.04 0.00 0.00 63.50 63.09 1x4j n PRO 16 Cb 0.49 -1.35 -0.11 0.00 -0.04 0.00 0.00 33.50 32.50 1x4j n PRO 16 CO 0.00 0.00 0.00 -1.71 -0.04 0.00 0.00 175.50 173.75 1x4j n ASN 17 N -0.85 1.98 -4.08 3.54 4.05 -1.26 -5.03 115.26 113.61 1x4j n ASN 17 Ca 0.08 0.07 -0.09 0.00 0.45 0.00 0.00 54.58 55.09 1x4j n ASN 17 Cb 0.04 -0.57 -0.10 0.00 1.23 0.00 0.00 39.78 40.37 1x4j n ASN 17 CO 0.00 0.00 0.00 0.20 -3.05 0.00 0.00 177.26 174.41 1x4j s ASN 18 N -6.87 0.63 -0.03 1.20 -0.87 -1.13 -5.17 114.94 102.71 1x4j s ASN 18 Ca -0.35 -0.81 -0.19 0.00 -1.57 0.00 0.00 52.86 49.94 1x4j s ASN 18 Cb 0.11 0.13 0.04 0.00 -0.02 0.00 0.00 41.25 41.50 1x4j s ASN 18 CO 0.53 -0.43 0.41 -2.28 -2.57 0.00 0.00 177.10 172.76 1x4j s HIS 19 N -2.85 -0.32 0.03 2.20 2.46 -1.26 -4.21 115.29 111.34 1x4j s HIS 19 Ca -0.00 0.52 -0.23 0.00 0.47 0.00 0.00 55.06 55.82 1x4j s HIS 19 Cb 0.00 0.18 -0.16 0.00 -0.13 0.00 0.00 32.58 32.47 1x4j s HIS 19 CO -0.05 -0.44 1.39 0.37 -2.47 0.00 0.00 174.74 173.54 1x4j h GLN 20 N 3.69 0.17 -6.65 2.88 4.15 -2.01 -3.45 115.11 113.89 1x4j h GLN 20 Ca -0.29 -0.07 -0.47 0.00 0.77 0.00 0.00 58.65 58.59 1x4j h GLN 20 Cb 1.17 -0.01 0.03 0.00 0.21 0.00 0.00 27.48 28.88 1x4j h GLN 20 CO 0.39 0.51 -0.11 -1.12 -1.93 0.00 0.00 178.83 176.57 1x4j s SER 21 N -5.78 5.16 -0.16 -0.69 0.01 -1.26 -5.06 113.70 105.92 1x4j s SER 21 Ca -0.15 -0.67 -0.18 0.00 1.31 0.00 0.00 55.95 56.26 1x4j s SER 21 Cb 0.04 0.00 -0.23 0.00 0.21 0.00 0.00 66.02 66.04 1x4j s SER 21 CO 0.70 -1.25 0.37 1.05 0.41 0.00 0.00 173.24 174.52 1x4j h GLU 22 N 0.21 0.11 -5.10 12.44 -0.00 -2.00 -3.45 114.58 116.78 1x4j h GLU 22 Ca -0.33 -0.19 -0.64 0.00 -0.00 0.00 0.00 59.36 58.20 1x4j h GLU 22 Cb 1.28 0.07 -0.23 0.00 -0.00 0.00 0.00 28.75 29.88 1x4j h GLU 22 CO 0.42 1.09 -0.65 1.14 -0.00 0.00 0.00 179.01 181.01 1x4j s GLN 23 N -2.42 3.63 -0.31 1.06 1.03 -1.26 -5.07 119.66 116.32 1x4j s GLN 23 Ca -0.25 -0.51 0.02 0.00 0.04 0.00 0.00 55.36 54.66 1x4j s GLN 23 Cb 0.05 -3.12 0.09 0.00 0.03 0.00 0.00 33.01 30.07 1x4j s GLN 23 CO 0.68 -0.01 0.04 -0.08 -2.54 0.00 0.00 175.29 173.38 1x4j s THR 24 N 1.07 1.76 0.03 3.63 -1.32 -1.26 -4.86 115.64 114.69 1x4j s THR 24 Ca 0.02 -1.90 -0.03 0.00 -1.21 0.00 0.00 61.69 58.57 1x4j s THR 24 Cb -0.14 -2.26 -0.02 0.00 -1.51 0.00 0.00 72.50 68.57 1x4j s THR 24 CO 0.02 -0.54 0.05 -0.22 -2.21 0.00 0.00 174.62 171.72 1x4j s LEU 25 N 1.18 1.99 -0.50 9.08 0.20 -1.26 -4.43 118.68 124.94 1x4j s LEU 25 Ca 0.08 -0.52 -0.17 0.00 0.69 0.00 0.00 54.13 54.21 1x4j s LEU 25 Cb -0.18 0.40 0.08 0.00 -0.43 0.00 0.00 46.19 46.06 1x4j s LEU 25 CO -0.13 -0.43 0.48 0.00 -0.29 0.00 0.00 176.35 175.99 1x4j h VAL 27 N 5.81 0.65 0.31 0.00 3.04 -1.88 1.08 116.25 125.25 1x4j h VAL 27 Ca -0.29 -0.11 -0.02 0.00 -1.01 0.00 0.00 66.70 65.28 1x4j h VAL 27 Cb 1.10 1.07 0.00 0.00 -2.01 0.00 0.00 31.29 31.45 1x4j h VAL 27 CO 0.94 0.03 -0.15 0.58 -1.01 0.00 0.00 177.57 177.95 1x4j h VAL 28 N 0.00 0.00 -0.57 1.51 2.07 -1.93 -3.25 116.25 114.08 1x4j h VAL 28 Ca -0.00 -0.04 0.00 0.00 0.82 0.00 0.00 66.70 67.48 1x4j h VAL 28 Cb 0.06 0.00 0.00 0.00 -1.52 0.00 0.00 31.29 29.83 1x4j h VAL 28 CO 0.00 0.00 0.00 0.00 0.02 0.00 0.00 177.57 177.59 1x4j n MET 30 N 0.91 -0.85 -3.97 0.00 0.00 0.37 -4.91 117.12 108.68 1x4j n MET 30 Ca 0.23 0.05 -0.09 0.00 0.00 0.00 0.00 57.70 57.89 1x4j n MET 30 Cb 0.86 -2.70 -0.11 0.00 0.00 0.00 0.00 33.22 31.27 1x4j n MET 30 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 175.97 175.97 1x4j s ASP 32 N -1.55 7.28 0.08 0.00 2.15 -1.26 -1.83 116.67 121.53 1x4j s ASP 32 Ca -0.14 2.21 -0.31 0.00 0.43 0.00 0.00 52.55 54.75 1x4j s ASP 32 Cb -0.08 -2.62 -0.07 0.00 -0.30 0.00 0.00 42.92 39.85 1x4j s ASP 32 CO -0.01 -0.13 1.32 -0.36 -0.17 0.00 0.00 175.17 175.82 1x4j s PHE 33 N -1.20 3.27 0.49 -5.34 0.08 -1.26 -4.96 117.98 109.07 1x4j s PHE 33 Ca 0.45 1.07 -0.18 0.00 0.12 0.00 0.00 56.93 58.38 1x4j s PHE 33 Cb -0.30 -3.58 -0.08 0.00 -0.57 0.00 0.00 43.02 38.48 1x4j s PHE 33 CO 0.39 -1.98 0.99 -2.00 -0.10 0.00 0.00 175.22 172.52 1x4j s GLU 34 N 1.23 3.94 0.63 0.44 2.56 -1.26 -5.02 118.70 121.22 1x4j s GLU 34 Ca 0.62 1.08 -0.18 0.00 0.00 0.00 0.00 54.97 56.50 1x4j s GLU 34 Cb -0.33 -2.13 -0.02 0.00 2.00 0.00 0.00 34.13 33.65 1x4j s GLU 34 CO 0.29 -0.28 1.20 -1.54 -0.56 0.00 0.00 175.26 174.37 1x4j s SER 35 N -2.63 4.97 -1.08 -1.70 1.04 -1.26 -3.72 113.70 109.32 1x4j s SER 35 Ca 0.61 2.34 -0.03 0.00 0.48 0.00 0.00 55.95 59.35 1x4j s SER 35 Cb -0.11 -2.59 -0.03 0.00 0.10 0.00 0.00 66.02 63.38 1x4j s SER 35 CO 0.25 -1.74 0.92 0.54 0.98 0.00 0.00 173.24 174.19 1x4j n ARG 36 N -1.92 -4.26 -3.78 4.02 1.74 -1.21 -5.00 116.66 106.25 1x4j n ARG 36 Ca 0.13 0.82 -0.13 0.00 -0.77 0.00 0.00 57.85 57.91 1x4j n ARG 36 Cb 0.50 -5.70 -0.12 0.00 -1.02 0.00 0.00 32.46 26.12 1x4j n ARG 36 CO 0.00 0.00 0.00 -0.65 -1.52 0.00 0.00 177.63 175.46 1x4j s GLN 37 N -4.82 0.22 -0.18 5.56 -1.52 -1.24 -4.99 119.66 112.68 1x4j s GLN 37 Ca 0.22 0.34 -0.29 0.00 -1.95 0.00 0.00 55.36 53.67 1x4j s GLN 37 Cb -0.03 0.05 -0.03 0.00 -0.22 0.00 0.00 33.01 32.78 1x4j s GLN 37 CO 0.71 -0.06 1.56 -1.17 -0.25 0.00 0.00 175.29 176.07 1x4j s LEU 38 N 0.41 4.02 0.29 2.90 2.96 -1.26 -3.36 118.68 124.64 1x4j s LEU 38 Ca -0.03 1.73 0.11 0.00 -0.22 0.00 0.00 54.13 55.73 1x4j s LEU 38 Cb -0.04 -3.53 -0.05 0.00 0.50 0.00 0.00 46.19 43.06 1x4j s LEU 38 CO -0.02 -1.12 -0.18 -0.76 -1.32 0.00 0.00 176.35 172.95 1x4j s LEU 39 N 4.71 2.61 -0.12 -0.68 1.43 -1.24 -2.76 118.68 122.63 1x4j s LEU 39 Ca 0.69 -1.06 0.01 0.00 -1.03 0.00 0.00 54.13 52.73 1x4j s LEU 39 Cb -0.26 -1.07 0.02 0.00 0.03 0.00 0.00 46.19 44.92 1x4j s LEU 39 CO 0.27 -0.01 -0.12 -0.13 0.23 0.00 0.00 176.35 176.59 1x4j s ARG 40 N -3.53 1.97 -0.29 1.70 1.81 0.22 -4.35 118.95 116.48 1x4j s ARG 40 Ca 0.30 -0.44 -0.14 0.00 -1.72 0.00 0.00 55.73 53.73 1x4j s ARG 40 Cb -0.04 -1.82 -0.03 0.00 -0.45 0.00 0.00 34.95 32.61 1x4j s ARG 40 CO 0.15 -0.19 0.34 0.08 -0.68 0.00 0.00 175.30 175.00 1x4j s VAL 41 N 1.38 5.20 0.84 3.52 1.01 -1.26 -1.07 120.40 130.02 1x4j s VAL 41 Ca 0.01 0.39 -0.12 0.00 0.00 0.00 0.00 61.98 62.26 1x4j s VAL 41 Cb -0.13 -3.69 0.10 0.00 0.00 0.00 0.00 36.38 32.66 1x4j s VAL 41 CO -0.07 0.12 1.19 -0.76 0.00 0.00 0.00 175.10 175.58 1x4j s LEU 42 N 2.01 3.04 0.00 3.92 1.43 0.20 -4.85 118.68 124.43 1x4j s LEU 42 Ca 0.13 2.30 0.10 0.00 -1.03 0.00 0.00 54.13 55.63 1x4j s LEU 42 Cb -0.16 -4.58 0.58 0.00 0.03 0.00 0.00 46.19 42.06 1x4j s LEU 42 CO 0.11 -2.82 1.02 -0.81 0.23 0.00 0.00 176.35 174.08 1x4j n PRO 43 N -3.63 0.49 -0.38 1.29 -0.04 -1.26 -2.08 135.00 129.39 1x4j n PRO 43 Ca 0.13 0.00 0.08 0.00 -0.04 0.00 0.00 63.50 63.67 1x4j n PRO 43 Cb 0.51 -1.31 0.26 0.00 -0.04 0.00 0.00 33.50 32.92 1x4j n PRO 43 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1x4j n ASN 45 N 0.78 -2.55 -4.07 0.00 3.02 -0.88 -5.06 115.26 106.50 1x4j n ASN 45 Ca 0.20 -0.17 -0.20 0.00 -0.03 0.00 0.00 54.58 54.37 1x4j n ASN 45 Cb 0.67 -1.86 -0.15 0.00 -0.61 0.00 0.00 39.78 37.83 1x4j n ASN 45 CO 0.00 0.00 0.00 -1.00 -2.62 0.00 0.00 177.26 173.64 1x4j s HIS 46 N -3.10 1.01 0.04 3.10 3.76 -1.23 -4.98 115.29 113.89 1x4j s HIS 46 Ca 0.07 -0.21 -0.13 0.00 -0.15 0.00 0.00 55.06 54.65 1x4j s HIS 46 Cb -0.03 -0.64 -0.06 0.00 1.11 0.00 0.00 32.58 32.96 1x4j s HIS 46 CO 0.22 -0.01 0.41 -1.21 -0.85 0.00 0.00 174.74 173.30 1x4j s GLU 47 N -0.36 3.85 0.19 1.40 8.01 -1.26 0.59 118.70 131.11 1x4j s GLU 47 Ca 0.04 0.31 -0.11 0.00 0.01 0.00 0.00 54.97 55.22 1x4j s GLU 47 Cb -0.05 -3.10 0.00 0.00 -4.31 0.00 0.00 34.13 26.67 1x4j s GLU 47 CO -0.00 0.62 0.37 -0.06 0.01 0.00 0.00 175.26 176.20 1x4j s PHE 48 N -1.25 0.28 -0.01 1.61 0.08 -0.24 -4.50 117.98 113.96 1x4j s PHE 48 Ca 0.29 -0.64 -0.25 0.00 0.12 0.00 0.00 56.93 56.45 1x4j s PHE 48 Cb -0.15 0.08 -0.04 0.00 -0.57 0.00 0.00 43.02 42.34 1x4j s PHE 48 CO 0.16 -0.81 0.77 -1.01 -0.10 0.00 0.00 175.22 174.22 1x4j s HIS 49 N -3.96 3.65 0.58 0.36 3.76 -1.26 -0.61 115.29 117.82 1x4j s HIS 49 Ca 0.17 1.40 0.30 0.00 -0.15 0.00 0.00 55.06 56.78 1x4j s HIS 49 Cb 0.02 -2.86 1.41 0.00 1.11 0.00 0.00 32.58 32.26 1x4j s HIS 49 CO 0.01 0.15 1.78 0.00 -0.85 0.00 0.00 174.74 175.83 1x4j h ALA 50 N 6.32 2.53 0.00 -1.40 0.00 -1.80 -1.19 119.26 123.73 1x4j h ALA 50 Ca -0.42 -0.03 -0.15 0.00 0.00 0.00 0.00 54.91 54.32 1x4j h ALA 50 Cb 1.20 0.05 -0.02 0.00 0.00 0.00 0.00 17.79 19.03 1x4j h ALA 50 CO 0.73 -1.06 -1.00 0.36 0.00 0.00 0.00 179.25 178.29 1x4j n LYS 51 N -3.75 0.52 0.00 0.00 2.85 -1.26 -3.79 118.16 112.72 1x4j n LYS 51 Ca 0.15 0.55 0.00 0.00 -1.05 0.00 0.00 58.31 57.96 1x4j n LYS 51 Cb 0.94 -1.72 0.00 0.00 -0.65 0.00 0.00 35.03 33.60 1x4j n LYS 51 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 177.40 177.35 1x4j h VAL 53 N 0.00 0.09 -0.54 0.00 3.04 -1.50 0.58 116.25 117.91 1x4j h VAL 53 Ca 0.00 -0.02 0.10 0.00 -1.01 0.00 0.00 66.70 65.77 1x4j h VAL 53 Cb 0.00 0.02 -0.08 0.00 -2.01 0.00 0.00 31.29 29.22 1x4j h VAL 53 CO 0.00 0.01 0.09 -0.78 -1.01 0.00 0.00 177.57 175.89 1x4j h ASP 54 N 0.06 -0.04 0.05 3.17 3.58 -1.51 0.27 116.42 122.01 1x4j h ASP 54 Ca 0.66 0.10 -0.00 0.00 0.42 0.00 0.00 57.03 58.21 1x4j h ASP 54 Cb 1.48 0.15 0.00 0.00 1.72 0.00 0.00 39.33 42.68 1x4j h ASP 54 CO -0.81 0.00 -0.02 0.50 -2.88 0.00 0.00 179.24 176.02 1x4j h LYS 55 N 0.22 -0.06 0.24 0.28 3.64 0.93 -3.15 116.57 118.67 1x4j h LYS 55 Ca 0.28 0.00 0.01 0.00 -1.27 0.00 0.00 60.65 59.67 1x4j h LYS 55 Cb 0.40 0.01 -0.04 0.00 -0.41 0.00 0.00 32.23 32.20 1x4j h LYS 55 CO -0.38 0.40 -0.50 2.35 -2.27 0.00 0.00 179.45 179.05 1x4j h TRP 56 N -0.56 -1.42 -1.00 1.91 2.91 -0.72 -1.50 115.95 115.58 1x4j h TRP 56 Ca -0.01 0.03 0.37 0.00 1.13 0.00 0.00 58.89 60.41 1x4j h TRP 56 Cb 0.50 0.59 -0.17 0.00 -0.51 0.00 0.00 29.16 29.57 1x4j h TRP 56 CO 0.09 -0.61 0.51 -0.07 -1.03 0.00 0.00 178.44 177.33 1x4j h LEU 57 N -0.81 0.34 -0.58 0.65 3.38 -0.54 0.83 115.31 118.57 1x4j h LEU 57 Ca -0.02 0.23 0.07 0.00 0.09 0.00 0.00 57.88 58.25 1x4j h LEU 57 Cb 0.78 0.23 -0.06 0.00 0.09 0.00 0.00 40.66 41.71 1x4j h LEU 57 CO -0.21 -0.32 0.27 0.50 0.09 0.00 0.00 178.44 178.77 1x4j h LYS 58 N 0.12 0.49 0.04 1.13 3.64 -1.23 -2.94 116.57 117.83 1x4j h LYS 58 Ca 0.79 -0.03 -0.10 0.00 -1.27 0.00 0.00 60.65 60.04 1x4j h LYS 58 Cb 1.95 -0.11 0.01 0.00 -0.41 0.00 0.00 32.23 33.67 1x4j h LYS 58 CO -0.72 0.32 -0.40 0.00 -2.27 0.00 0.00 179.45 176.39 1x4j h ALA 59 N 1.35 -0.01 -3.25 5.00 0.00 0.60 -3.45 119.26 119.51 1x4j h ALA 59 Ca 0.27 -0.55 -0.49 0.00 0.00 0.00 0.00 54.91 54.14 1x4j h ALA 59 Cb 0.24 0.04 -0.38 0.00 0.00 0.00 0.00 17.79 17.69 1x4j h ALA 59 CO -0.22 0.18 -0.78 -0.80 0.00 0.00 0.00 179.25 177.63 1x4j s ASN 60 N -6.53 2.09 0.00 0.00 0.01 0.72 -5.02 114.94 106.20 1x4j s ASN 60 Ca -0.16 -0.32 -0.05 0.00 -0.71 0.00 0.00 52.86 51.62 1x4j s ASN 60 Cb 0.00 -0.63 -0.24 0.00 0.41 0.00 0.00 41.25 40.79 1x4j s ASN 60 CO 0.77 -0.19 3.34 -2.11 -1.51 0.00 0.00 177.10 177.40 1x4j n ARG 61 N 5.04 1.82 -4.03 -0.60 1.85 -1.16 -3.62 116.66 115.96 1x4j n ARG 61 Ca -0.09 -0.90 -0.10 0.00 -1.00 0.00 0.00 57.85 55.76 1x4j n ARG 61 Cb 0.49 -1.95 -0.06 0.00 -1.05 0.00 0.00 32.46 29.89 1x4j n ARG 61 CO 0.00 0.00 0.00 0.95 -0.01 0.00 0.00 177.63 178.57 1x4j s THR 62 N 1.17 0.00 -0.21 8.89 -4.23 -1.26 -3.78 115.64 116.22 1x4j s THR 62 Ca 0.61 -1.51 -0.28 0.00 -1.18 0.00 0.00 61.69 59.33 1x4j s THR 62 Cb 0.29 -2.24 0.00 0.00 1.34 0.00 0.00 72.50 71.89 1x4j s THR 62 CO 0.00 -0.01 0.99 0.00 -0.54 0.00 0.00 174.62 175.06 1x4j n PRO 64 N 5.98 0.49 0.00 0.00 -0.04 -1.26 0.11 135.00 140.28 1x4j n PRO 64 Ca 0.10 0.00 -0.02 0.00 -0.04 0.00 0.00 63.50 63.54 1x4j n PRO 64 Cb 0.47 -1.10 -0.01 0.00 -0.04 0.00 0.00 33.50 32.83 1x4j n PRO 64 CO 0.00 0.00 0.00 -0.89 -0.04 0.00 0.00 175.50 174.57 1x4j n ILE 65 N -0.60 1.00 -1.16 0.52 5.41 -1.26 -4.79 119.36 118.48 1x4j n ILE 65 Ca 0.02 0.28 0.02 0.00 1.00 0.00 0.00 62.75 64.07 1x4j n ILE 65 Cb 0.01 -1.68 0.24 0.00 -0.71 0.00 0.00 39.64 37.50 1x4j n ILE 65 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 1x4j n ARG 67 N -0.69 -2.27 -2.64 0.00 1.85 0.12 -4.78 116.66 108.25 1x4j n ARG 67 Ca 0.29 0.00 -0.43 0.00 -1.00 0.00 0.00 57.85 56.71 1x4j n ARG 67 Cb 1.03 -3.80 -0.03 0.00 -1.05 0.00 0.00 32.46 28.61 1x4j n ARG 67 CO 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 177.63 177.62 1x4j s ALA 68 N -1.52 3.10 0.07 2.89 0.00 -1.25 -4.57 121.76 120.48 1x4j s ALA 68 Ca 0.00 -0.70 -0.37 0.00 0.00 0.00 0.00 51.96 50.89 1x4j s ALA 68 Cb 0.00 -3.91 -0.17 0.00 0.00 0.00 0.00 23.12 19.04 1x4j s ALA 68 CO 0.00 -2.40 1.32 -3.47 0.00 0.00 0.00 175.76 171.21 1x4j n ASP 69 N 7.97 1.48 -1.65 0.00 -0.08 -1.26 -2.81 116.55 120.20 1x4j n ASP 69 Ca 0.09 1.12 -0.04 0.00 -1.51 0.00 0.00 54.79 54.46 1x4j n ASP 69 Cb 0.49 -1.16 -0.04 0.00 2.34 0.00 0.00 41.12 42.75 1x4j n ASP 69 CO 0.00 0.00 0.00 -0.24 0.12 0.00 0.00 177.20 177.08 1x4j n SER 70 N 2.45 5.38 0.00 1.67 2.88 -1.25 -4.92 113.62 119.83 1x4j n SER 70 Ca 0.19 -2.46 0.00 0.00 -1.33 0.00 0.00 58.87 55.27 1x4j n SER 70 Cb 0.18 -1.20 0.00 0.00 -0.75 0.00 0.00 64.21 62.44 1x4j n SER 70 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1x4j n GLY 71 N 1.70 1.72 3.55 0.46 0.00 -1.26 -4.02 105.19 107.34 1x4j n GLY 71 Ca 0.12 0.62 -0.39 0.00 0.00 0.00 0.00 46.02 46.38 1x4j n GLY 71 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1x4j s PRO 72 N 0.00 2.64 0.00 1.61 0.04 -1.26 -4.95 135.00 133.08 1x4j s PRO 72 Ca 0.00 0.63 0.00 0.00 0.04 0.00 0.00 61.00 61.67 1x4j s PRO 72 Cb 0.00 -4.39 -0.00 0.00 0.04 0.00 0.00 34.50 30.15 1x4j s PRO 72 CO 0.00 -2.72 -0.01 0.45 0.04 0.00 0.00 177.00 174.75 1x4j s SER 73 N 8.09 0.16 0.28 6.66 0.15 -1.26 -5.16 113.70 122.62 1x4j s SER 73 Ca 0.68 -0.07 -0.19 0.00 0.70 0.00 0.00 55.95 57.07 1x4j s SER 73 Cb -0.13 -0.01 0.02 0.00 -1.71 0.00 0.00 66.02 64.19 1x4j s SER 73 CO 0.21 -0.01 0.67 -0.94 1.20 0.00 0.00 173.24 174.36 1x4j s SER 74 N -0.16 -0.19 0.00 5.45 1.04 -1.26 -5.09 113.70 113.49 1x4j s SER 74 Ca -0.01 -0.73 0.00 0.00 0.48 0.00 0.00 55.95 55.69 1x4j s SER 74 Cb -0.01 0.71 0.00 0.00 0.10 0.00 0.00 66.02 66.81 1x4j s SER 74 CO -0.00 -1.33 0.00 0.61 0.98 0.00 0.00 173.24 173.50