#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1x4j s SER 2 N 0.00 -0.40 0.47 1.61 0.01 -1.26 -5.15 113.70 108.99 1x4j s SER 2 Ca 0.00 0.57 -0.24 0.00 1.31 0.00 0.00 55.95 57.58 1x4j s SER 2 Cb 0.00 0.63 -0.07 0.00 0.21 0.00 0.00 66.02 66.79 1x4j s SER 2 CO 0.00 -0.35 1.41 -0.44 0.41 0.00 0.00 173.24 174.27 1x4j s SER 3 N -0.60 5.76 -0.34 2.44 0.01 -1.26 -4.94 113.70 114.76 1x4j s SER 3 Ca -0.07 2.87 0.04 0.00 1.31 0.00 0.00 55.95 60.10 1x4j s SER 3 Cb -0.03 -2.65 0.22 0.00 0.21 0.00 0.00 66.02 63.76 1x4j s SER 3 CO 0.04 -1.25 1.21 0.61 0.41 0.00 0.00 173.24 174.26 1x4j n GLY 4 N 0.61 -0.55 3.61 3.44 0.00 -1.26 -5.12 105.19 105.93 1x4j n GLY 4 Ca 0.06 0.25 -0.43 0.00 0.00 0.00 0.00 46.02 45.90 1x4j n GLY 4 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1x4j s SER 5 N -0.43 6.00 0.08 1.61 1.04 -1.26 -4.89 113.70 115.84 1x4j s SER 5 Ca 0.13 1.55 -0.33 0.00 0.48 0.00 0.00 55.95 57.78 1x4j s SER 5 Cb 0.20 -2.53 -0.17 0.00 0.10 0.00 0.00 66.02 63.63 1x4j s SER 5 CO -0.09 -1.58 1.62 -1.28 0.98 0.00 0.00 173.24 172.89 1x4j h SER 6 N 12.45 -0.85 0.00 7.02 0.87 -2.02 -3.48 113.55 127.54 1x4j h SER 6 Ca -0.36 0.04 0.00 0.00 -1.23 0.00 0.00 61.79 60.25 1x4j h SER 6 Cb 1.18 0.24 0.00 0.00 -0.44 0.00 0.00 62.40 63.38 1x4j h SER 6 CO 1.01 -0.55 0.00 0.61 -0.53 0.00 0.00 176.83 177.37 1x4j n GLY 7 N -1.48 4.21 3.71 5.77 0.00 -1.26 -5.10 105.19 111.04 1x4j n GLY 7 Ca -0.13 -0.88 -0.38 0.00 0.00 0.00 0.00 46.02 44.64 1x4j n GLY 7 CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 1x4j s GLN 8 N 0.00 4.29 0.58 1.61 1.03 -1.26 -5.07 119.66 120.84 1x4j s GLN 8 Ca 0.00 0.32 -0.17 0.00 0.04 0.00 0.00 55.36 55.55 1x4j s GLN 8 Cb 0.00 -3.45 -0.04 0.00 0.03 0.00 0.00 33.01 29.54 1x4j s GLN 8 CO 0.00 0.14 1.07 -0.51 -2.54 0.00 0.00 175.29 173.45 1x4j s LEU 9 N 0.73 3.58 0.29 2.60 1.43 -1.26 -5.00 118.68 121.05 1x4j s LEU 9 Ca 0.22 1.92 -0.29 0.00 -1.03 0.00 0.00 54.13 54.95 1x4j s LEU 9 Cb -0.14 -4.55 -0.10 0.00 0.03 0.00 0.00 46.19 41.43 1x4j s LEU 9 CO 0.08 -1.18 1.24 -2.16 0.23 0.00 0.00 176.35 174.56 1x4j s PRO 10 N -3.80 4.45 -0.17 1.29 0.04 -1.26 -5.03 135.00 130.52 1x4j s PRO 10 Ca 0.66 2.06 0.00 0.00 0.04 0.00 0.00 61.00 63.76 1x4j s PRO 10 Cb -0.18 -3.13 0.00 0.00 0.04 0.00 0.00 34.50 31.23 1x4j s PRO 10 CO 0.33 -0.08 -0.16 -1.12 0.04 0.00 0.00 177.00 176.01 1x4j s SER 11 N -0.44 3.50 -0.13 6.66 0.01 -1.26 -4.26 113.70 117.79 1x4j s SER 11 Ca 0.49 -0.53 -0.28 0.00 1.31 0.00 0.00 55.95 56.94 1x4j s SER 11 Cb -0.37 -1.54 0.07 0.00 0.21 0.00 0.00 66.02 64.39 1x4j s SER 11 CO 0.46 0.05 0.67 -0.72 0.41 0.00 0.00 173.24 174.11 1x4j s TYR 12 N 1.01 -0.68 -0.02 2.43 -0.85 -1.25 -5.04 117.35 112.96 1x4j s TYR 12 Ca -0.02 1.38 -0.22 0.00 -0.52 0.00 0.00 57.07 57.69 1x4j s TYR 12 Cb -0.15 0.34 -0.05 0.00 0.38 0.00 0.00 41.96 42.49 1x4j s TYR 12 CO -0.04 -0.51 0.66 1.03 -1.52 0.00 0.00 175.55 175.18 1x4j s ARG 13 N -0.60 4.40 0.69 -3.49 0.52 -1.26 -2.62 118.95 116.58 1x4j s ARG 13 Ca -0.07 0.85 -0.17 0.00 -0.52 0.00 0.00 55.73 55.82 1x4j s ARG 13 Cb -0.02 -3.38 -0.06 0.00 0.52 0.00 0.00 34.95 32.01 1x4j s ARG 13 CO 0.06 0.25 0.44 0.34 0.02 0.00 0.00 175.30 176.41 1x4j n PHE 14 N 3.10 -1.05 -3.88 -0.53 -0.00 -1.19 -4.93 117.46 108.98 1x4j n PHE 14 Ca -0.04 0.36 -0.30 0.00 -0.00 0.00 0.00 57.45 57.47 1x4j n PHE 14 Cb 0.51 -1.89 -0.15 0.00 -0.00 0.00 0.00 39.48 37.94 1x4j n PHE 14 CO 0.00 0.00 0.00 -0.80 -0.00 0.00 0.00 176.76 175.96 1x4j s ASN 15 N -1.37 3.98 0.34 -2.13 0.01 -1.26 -4.56 114.94 109.96 1x4j s ASN 15 Ca 0.65 -1.45 0.13 0.00 -0.71 0.00 0.00 52.86 51.48 1x4j s ASN 15 Cb -0.37 -1.13 0.60 0.00 0.41 0.00 0.00 41.25 40.76 1x4j s ASN 15 CO 0.59 -0.32 1.74 1.55 -1.51 0.00 0.00 177.10 179.15 1x4j h PRO 16 N 7.95 0.00 -0.38 -0.60 0.13 -1.94 -3.17 132.00 133.99 1x4j h PRO 16 Ca -0.14 0.00 0.05 0.00 -0.87 0.00 0.00 66.00 65.04 1x4j h PRO 16 Cb 1.05 0.00 -0.05 0.00 0.13 0.00 0.00 31.00 32.13 1x4j h PRO 16 CO 0.44 0.46 0.10 -0.97 -0.23 0.00 0.00 178.00 177.80 1x4j h ASN 17 N 0.00 0.07 -0.57 1.44 -1.24 -1.96 -3.43 115.58 109.89 1x4j h ASN 17 Ca -0.00 0.05 0.21 0.00 0.71 0.00 0.00 56.30 57.26 1x4j h ASN 17 Cb 0.84 0.06 -0.22 0.00 0.73 0.00 0.00 38.32 39.73 1x4j h ASN 17 CO 0.06 0.08 0.14 0.21 -1.29 0.00 0.00 177.43 176.62 1x4j s ASN 18 N -5.33 -0.57 0.41 1.15 3.84 -1.20 -5.18 114.94 108.06 1x4j s ASN 18 Ca -0.13 0.48 0.07 0.00 0.21 0.00 0.00 52.86 53.49 1x4j s ASN 18 Cb 0.13 1.53 -0.06 0.00 -0.55 0.00 0.00 41.25 42.29 1x4j s ASN 18 CO 0.71 -0.11 0.10 -2.28 -2.79 0.00 0.00 177.10 172.74 1x4j s HIS 19 N 2.76 2.54 -0.00 0.43 2.46 -1.23 -4.86 115.29 117.40 1x4j s HIS 19 Ca 0.01 -0.63 -0.23 0.00 0.47 0.00 0.00 55.06 54.67 1x4j s HIS 19 Cb -0.09 -1.87 -0.13 0.00 -0.13 0.00 0.00 32.58 30.35 1x4j s HIS 19 CO -0.14 0.30 0.98 0.37 -2.47 0.00 0.00 174.74 173.78 1x4j h GLN 20 N 1.57 -0.77 -6.53 2.88 5.75 -2.03 -3.45 115.11 112.54 1x4j h GLN 20 Ca -0.43 0.05 -0.70 0.00 -0.15 0.00 0.00 58.65 57.42 1x4j h GLN 20 Cb 1.25 0.17 -0.29 0.00 1.07 0.00 0.00 27.48 29.68 1x4j h GLN 20 CO 0.75 -0.49 -0.87 -1.54 -2.65 0.00 0.00 178.83 174.03 1x4j s SER 21 N -4.65 3.20 -0.04 -0.69 1.04 -1.26 -5.01 113.70 106.30 1x4j s SER 21 Ca -0.12 -0.43 0.10 0.00 0.48 0.00 0.00 55.95 55.98 1x4j s SER 21 Cb 0.01 -0.44 0.37 0.00 0.10 0.00 0.00 66.02 66.06 1x4j s SER 21 CO 0.38 0.32 1.24 -1.84 0.98 0.00 0.00 173.24 174.32 1x4j n GLU 22 N 2.45 2.29 -1.62 4.02 0.28 -1.26 -4.30 120.64 122.50 1x4j n GLU 22 Ca -0.16 -1.48 -0.36 0.00 -0.16 0.00 0.00 57.16 55.00 1x4j n GLU 22 Cb 0.51 -1.51 0.04 0.00 1.43 0.00 0.00 31.44 31.92 1x4j n GLU 22 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 177.13 176.97 1x4j n GLN 23 N 0.53 2.64 -2.73 3.44 10.64 -1.26 -4.93 117.38 125.70 1x4j n GLN 23 Ca 0.13 -3.20 -0.42 0.00 -1.83 0.00 0.00 57.00 51.68 1x4j n GLN 23 Cb 0.47 -2.22 -0.04 0.00 -0.86 0.00 0.00 30.24 27.59 1x4j n GLN 23 CO 0.00 0.00 0.00 0.95 -1.83 0.00 0.00 177.06 176.18 1x4j s THR 24 N -4.53 4.11 -0.01 -0.39 -4.23 -1.26 -4.83 115.64 104.51 1x4j s THR 24 Ca 0.56 0.07 -0.04 0.00 -1.18 0.00 0.00 61.69 61.10 1x4j s THR 24 Cb 0.44 -4.75 -0.00 0.00 1.34 0.00 0.00 72.50 69.54 1x4j s THR 24 CO -0.24 -1.54 0.09 -0.22 -0.54 0.00 0.00 174.62 172.17 1x4j s LEU 25 N 4.67 1.74 -0.55 4.79 0.20 -1.26 -4.31 118.68 123.96 1x4j s LEU 25 Ca 0.29 -0.16 -0.15 0.00 0.69 0.00 0.00 54.13 54.80 1x4j s LEU 25 Cb -0.13 0.44 0.13 0.00 -0.43 0.00 0.00 46.19 46.21 1x4j s LEU 25 CO 0.14 -0.25 0.50 0.00 -0.29 0.00 0.00 176.35 176.45 1x4j h VAL 27 N 5.85 0.22 0.29 0.00 3.04 -1.87 0.96 116.25 124.74 1x4j h VAL 27 Ca -0.27 0.00 -0.01 0.00 -1.01 0.00 0.00 66.70 65.41 1x4j h VAL 27 Cb 1.09 0.97 0.00 0.00 -2.01 0.00 0.00 31.29 31.34 1x4j h VAL 27 CO 1.01 0.00 -0.14 0.58 -1.01 0.00 0.00 177.57 178.01 1x4j h VAL 28 N 0.00 0.00 -0.58 1.51 2.07 -1.91 -3.29 116.25 114.05 1x4j h VAL 28 Ca 0.01 -0.11 0.00 0.00 0.82 0.00 0.00 66.70 67.42 1x4j h VAL 28 Cb 0.08 0.00 0.00 0.00 -1.52 0.00 0.00 31.29 29.85 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 0.93 -0.92 -3.92 0.00 0.00 0.33 -4.92 117.12 108.62 1x4j n MET 30 Ca 0.24 0.08 -0.11 0.00 0.00 0.00 0.00 57.70 57.92 1x4j n MET 30 Cb 0.89 -3.37 -0.13 0.00 0.00 0.00 0.00 33.22 30.61 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 -0.60 7.08 1.10 0.00 2.15 -1.26 -1.72 116.67 123.41 1x4j s ASP 32 Ca -0.07 1.71 -0.21 0.00 0.43 0.00 0.00 52.55 54.42 1x4j s ASP 32 Cb -0.04 -2.55 0.04 0.00 -0.30 0.00 0.00 42.92 40.07 1x4j s ASP 32 CO -0.00 -0.59 -0.33 0.49 -0.17 0.00 0.00 175.17 174.57 1x4j n PHE 33 N 5.44 -1.39 -2.27 -5.34 3.72 -1.26 -4.98 117.46 111.38 1x4j n PHE 33 Ca 0.11 0.25 -0.26 0.00 -0.05 0.00 0.00 57.45 57.50 1x4j n PHE 33 Cb 0.46 -1.52 0.13 0.00 -0.94 0.00 0.00 39.48 37.61 1x4j n PHE 33 CO 0.00 0.00 0.00 -2.00 -0.05 0.00 0.00 176.76 174.71 1x4j s GLU 34 N -3.14 1.38 0.16 -1.08 2.56 -1.26 -5.01 118.70 112.32 1x4j s GLU 34 Ca 0.52 -0.69 0.12 0.00 0.00 0.00 0.00 54.97 54.92 1x4j s GLU 34 Cb -0.07 -2.12 -0.09 0.00 2.00 0.00 0.00 34.13 33.86 1x4j s GLU 34 CO 0.66 -1.77 1.22 0.77 -0.56 0.00 0.00 175.26 175.58 1x4j h SER 35 N -0.96 0.00 -2.05 -1.70 0.02 -1.94 -3.39 113.55 103.53 1x4j h SER 35 Ca -0.41 0.00 -0.57 0.00 -0.84 0.00 0.00 61.79 59.97 1x4j h SER 35 Cb 1.26 0.00 -0.40 0.00 0.14 0.00 0.00 62.40 63.41 1x4j h SER 35 CO 0.43 0.73 -0.98 -2.11 -1.14 0.00 0.00 176.83 173.76 1x4j n ARG 36 N -3.20 1.19 -3.87 3.45 0.00 -1.26 -4.35 116.66 108.61 1x4j n ARG 36 Ca -0.02 -3.60 -0.11 0.00 -0.00 0.00 0.00 57.85 54.12 1x4j n ARG 36 Cb 0.85 -1.49 -0.09 0.00 -0.00 0.00 0.00 32.46 31.73 1x4j n ARG 36 CO 0.00 0.00 0.00 -0.65 0.00 0.00 0.00 177.63 176.98 1x4j s GLN 37 N -1.55 0.57 -0.08 2.89 -1.52 -1.26 -5.00 119.66 113.71 1x4j s GLN 37 Ca 0.36 -0.53 -0.30 0.00 -1.95 0.00 0.00 55.36 52.95 1x4j s GLN 37 Cb 0.17 0.23 -0.04 0.00 -0.22 0.00 0.00 33.01 33.15 1x4j s GLN 37 CO -0.08 -0.15 1.38 -1.17 -0.25 0.00 0.00 175.29 175.02 1x4j s LEU 38 N -1.73 4.26 -0.01 2.90 2.96 -1.26 -3.15 118.68 122.64 1x4j s LEU 38 Ca -0.10 1.95 0.05 0.00 -0.22 0.00 0.00 54.13 55.81 1x4j s LEU 38 Cb -0.04 -3.55 -0.01 0.00 0.50 0.00 0.00 46.19 43.09 1x4j s LEU 38 CO -0.01 -0.77 -0.16 -0.76 -1.32 0.00 0.00 176.35 173.33 1x4j s LEU 39 N 3.17 2.02 -0.17 -0.68 1.43 -1.08 -3.21 118.68 120.16 1x4j s LEU 39 Ca 0.62 -0.30 -0.07 0.00 -1.03 0.00 0.00 54.13 53.35 1x4j s LEU 39 Cb -0.27 -0.85 -0.04 0.00 0.03 0.00 0.00 46.19 45.06 1x4j s LEU 39 CO 0.22 0.20 0.06 -0.13 0.23 0.00 0.00 176.35 176.93 1x4j s ARG 40 N -0.35 3.88 -0.29 1.70 0.52 0.46 -3.81 118.95 121.07 1x4j s ARG 40 Ca 0.06 -0.33 -0.09 0.00 -0.52 0.00 0.00 55.73 54.85 1x4j s ARG 40 Cb -0.07 -3.19 -0.02 0.00 0.52 0.00 0.00 34.95 32.20 1x4j s ARG 40 CO -0.00 0.34 0.13 0.08 0.02 0.00 0.00 175.30 175.86 1x4j s VAL 41 N 0.18 4.58 0.86 3.52 1.01 -1.26 0.22 120.40 129.51 1x4j s VAL 41 Ca 0.05 -0.27 -0.12 0.00 0.00 0.00 0.00 61.98 61.64 1x4j s VAL 41 Cb -0.12 -3.25 0.11 0.00 0.00 0.00 0.00 36.38 33.12 1x4j s VAL 41 CO 0.00 0.18 1.18 -0.76 0.00 0.00 0.00 175.10 175.71 1x4j s LEU 42 N 1.63 3.01 0.00 3.92 1.43 0.23 -4.71 118.68 124.19 1x4j s LEU 42 Ca 0.05 2.30 0.10 0.00 -1.03 0.00 0.00 54.13 55.56 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 0.06 -2.89 1.03 -0.81 0.23 0.00 0.00 176.35 173.97 1x4j n PRO 43 N -3.72 0.49 -0.37 1.29 -0.04 -1.26 -2.09 135.00 129.30 1x4j n PRO 43 Ca 0.13 0.00 0.09 0.00 -0.04 0.00 0.00 63.50 63.68 1x4j n PRO 43 Cb 0.51 -1.31 0.27 0.00 -0.04 0.00 0.00 33.50 32.93 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 1.00 -2.63 -4.04 0.00 5.15 -0.89 -5.06 115.26 108.79 1x4j n ASN 45 Ca 0.20 -0.15 -0.20 0.00 -0.60 0.00 0.00 54.58 53.84 1x4j n ASN 45 Cb 0.64 -1.70 -0.15 0.00 -0.53 0.00 0.00 39.78 38.03 1x4j n ASN 45 CO 0.00 0.00 0.00 -1.00 1.40 0.00 0.00 177.26 177.66 1x4j s HIS 46 N -3.09 0.92 0.09 1.20 3.76 -1.23 -4.98 115.29 111.96 1x4j s HIS 46 Ca 0.08 -0.18 -0.13 0.00 -0.15 0.00 0.00 55.06 54.69 1x4j s HIS 46 Cb -0.04 -0.60 -0.06 0.00 1.11 0.00 0.00 32.58 32.99 1x4j s HIS 46 CO 0.19 -0.02 0.46 -1.21 -0.85 0.00 0.00 174.74 173.31 1x4j s GLU 47 N -0.21 3.88 0.25 1.40 2.02 -1.26 0.75 118.70 125.53 1x4j s GLU 47 Ca 0.03 0.35 -0.11 0.00 0.02 0.00 0.00 54.97 55.26 1x4j s GLU 47 Cb -0.04 -3.02 -0.01 0.00 0.10 0.00 0.00 34.13 31.16 1x4j s GLU 47 CO -0.00 0.56 0.44 -0.06 0.02 0.00 0.00 175.26 176.21 1x4j s PHE 48 N -1.36 0.50 -0.13 1.61 0.08 0.13 -4.53 117.98 114.29 1x4j s PHE 48 Ca 0.33 -0.84 -0.23 0.00 0.12 0.00 0.00 56.93 56.30 1x4j s PHE 48 Cb -0.15 0.09 -0.03 0.00 -0.57 0.00 0.00 43.02 42.36 1x4j s PHE 48 CO 0.18 -0.97 0.73 -1.01 -0.10 0.00 0.00 175.22 174.05 1x4j s HIS 49 N -3.96 3.48 0.55 0.36 3.76 -1.26 -0.40 115.29 117.82 1x4j s HIS 49 Ca 0.25 1.18 0.38 0.00 -0.15 0.00 0.00 55.06 56.72 1x4j s HIS 49 Cb 0.00 -2.87 1.55 0.00 1.11 0.00 0.00 32.58 32.36 1x4j s HIS 49 CO 0.10 -0.08 1.74 0.00 -0.85 0.00 0.00 174.74 175.65 1x4j h ALA 50 N 7.11 3.19 0.00 -1.40 0.00 -1.86 0.00 119.26 126.30 1x4j h ALA 50 Ca -0.35 -0.04 -0.07 0.00 0.00 0.00 0.00 54.91 54.44 1x4j h ALA 50 Cb 1.16 0.10 -0.01 0.00 0.00 0.00 0.00 17.79 19.04 1x4j h ALA 50 CO 0.78 -1.61 -0.64 1.57 0.00 0.00 0.00 179.25 179.35 1x4j h LYS 51 N 0.00 0.00 0.01 0.00 2.10 -1.91 -3.30 116.57 113.46 1x4j h LYS 51 Ca 0.60 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 59.26 1x4j h LYS 51 Cb 2.52 0.00 -0.01 0.00 -0.90 0.00 0.00 32.23 33.83 1x4j h LYS 51 CO -0.01 0.41 -0.12 0.00 -2.00 0.00 0.00 179.45 177.73 1x4j h VAL 53 N -0.16 0.27 0.58 0.00 3.04 -1.28 0.12 116.25 118.83 1x4j h VAL 53 Ca 0.00 -0.03 -0.03 0.00 -1.01 0.00 0.00 66.70 65.64 1x4j h VAL 53 Cb 0.17 0.19 0.01 0.00 -2.01 0.00 0.00 31.29 29.64 1x4j h VAL 53 CO -0.08 0.01 -0.28 -0.78 -1.01 0.00 0.00 177.57 175.44 1x4j h ASP 54 N 0.08 -0.66 -0.57 3.17 1.82 -1.21 -0.14 116.42 118.91 1x4j h ASP 54 Ca 0.71 0.01 -0.07 0.00 -0.39 0.00 0.00 57.03 57.28 1x4j h ASP 54 Cb 2.57 0.17 -0.02 0.00 0.68 0.00 0.00 39.33 42.73 1x4j h ASP 54 CO -0.13 -0.45 0.07 0.11 -1.61 0.00 0.00 179.24 177.23 1x4j h LYS 55 N -0.82 0.96 0.48 0.28 1.57 -0.29 -3.14 116.57 115.61 1x4j h LYS 55 Ca -0.08 -0.27 -0.02 0.00 -1.87 0.00 0.00 60.65 58.41 1x4j h LYS 55 Cb 0.62 -0.11 -0.01 0.00 0.08 0.00 0.00 32.23 32.81 1x4j h LYS 55 CO 0.13 0.93 -0.35 2.35 -0.57 0.00 0.00 179.45 181.94 1x4j h TRP 56 N 0.85 -0.95 -1.63 -1.35 2.91 -1.02 -1.87 115.95 112.89 1x4j h TRP 56 Ca 0.17 -0.00 0.47 0.00 1.13 0.00 0.00 58.89 60.66 1x4j h TRP 56 Cb 0.45 0.35 -0.07 0.00 -0.51 0.00 0.00 29.16 29.38 1x4j h TRP 56 CO 0.03 -0.50 1.24 -0.07 -1.03 0.00 0.00 178.44 178.11 1x4j h LEU 57 N -0.79 0.00 -0.48 0.65 3.38 -1.06 1.17 115.31 118.18 1x4j h LEU 57 Ca -0.06 0.00 -0.07 0.00 0.09 0.00 0.00 57.88 57.84 1x4j h LEU 57 Cb 0.65 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.39 1x4j h LEU 57 CO 0.03 0.00 0.04 0.50 0.09 0.00 0.00 178.44 179.10 1x4j h LYS 58 N 0.00 0.83 0.08 1.13 3.64 -1.29 -3.28 116.57 117.67 1x4j h LYS 58 Ca 0.77 -0.24 -0.17 0.00 -1.27 0.00 0.00 60.65 59.74 1x4j h LYS 58 Cb 3.24 -0.08 0.00 0.00 -0.41 0.00 0.00 32.23 34.98 1x4j h LYS 58 CO -0.01 0.85 -0.85 0.00 -2.27 0.00 0.00 179.45 177.17 1x4j h ALA 59 N 0.94 0.06 -3.17 5.00 0.00 0.14 -3.45 119.26 118.79 1x4j h ALA 59 Ca 0.14 -0.84 -0.55 0.00 0.00 0.00 0.00 54.91 53.66 1x4j h ALA 59 Cb 0.45 0.28 -0.37 0.00 0.00 0.00 0.00 17.79 18.16 1x4j h ALA 59 CO 0.02 0.46 -0.81 -0.80 0.00 0.00 0.00 179.25 178.12 1x4j s ASN 60 N -6.78 2.31 -0.03 0.00 0.01 0.32 -5.01 114.94 105.75 1x4j s ASN 60 Ca -0.19 -0.35 -0.00 0.00 -0.71 0.00 0.00 52.86 51.61 1x4j s ASN 60 Cb 0.02 -0.93 0.02 0.00 0.41 0.00 0.00 41.25 40.77 1x4j s ASN 60 CO 0.74 -0.10 1.99 -2.11 -1.51 0.00 0.00 177.10 176.12 1x4j n ARG 61 N 4.88 1.08 -4.08 -0.60 -4.01 -1.24 -3.62 116.66 109.07 1x4j n ARG 61 Ca -0.14 -0.16 -0.10 0.00 -1.04 0.00 0.00 57.85 56.41 1x4j n ARG 61 Cb 0.50 -1.06 -0.09 0.00 -3.04 0.00 0.00 32.46 28.77 1x4j n ARG 61 CO 0.00 0.00 0.00 0.95 -3.04 0.00 0.00 177.63 175.54 1x4j s THR 62 N -0.23 0.07 -0.05 8.89 -4.23 -1.26 -3.98 115.64 114.84 1x4j s THR 62 Ca 0.03 -1.72 -0.30 0.00 -1.18 0.00 0.00 61.69 58.52 1x4j s THR 62 Cb 0.02 -2.05 -0.03 0.00 1.34 0.00 0.00 72.50 71.78 1x4j s THR 62 CO -0.00 -0.31 1.22 0.00 -0.54 0.00 0.00 174.62 174.99 1x4j n PRO 64 N 5.25 0.49 0.02 0.00 -0.04 -1.26 -0.16 135.00 139.30 1x4j n PRO 64 Ca 0.11 0.00 -0.00 0.00 -0.04 0.00 0.00 63.50 63.57 1x4j n PRO 64 Cb 0.46 -1.02 -0.00 0.00 -0.04 0.00 0.00 33.50 32.89 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 -0.42 0.43 -0.96 0.52 5.41 -1.26 -4.83 119.36 118.24 1x4j n ILE 65 Ca 0.00 0.14 0.08 0.00 1.00 0.00 0.00 62.75 63.97 1x4j n ILE 65 Cb 0.01 -1.21 0.33 0.00 -0.71 0.00 0.00 39.64 38.07 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 0.04 -1.94 -2.86 0.00 3.00 0.77 -4.79 116.66 110.88 1x4j n ARG 67 Ca 0.25 0.03 -0.42 0.00 -0.01 0.00 0.00 57.85 57.69 1x4j n ARG 67 Cb 1.06 -3.23 -0.04 0.00 0.00 0.00 0.00 32.46 30.24 1x4j n ARG 67 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.63 177.63 1x4j s ALA 68 N -1.76 3.45 -0.28 7.54 0.00 -1.26 -4.58 121.76 124.88 1x4j s ALA 68 Ca 0.17 -0.46 -0.39 0.00 0.00 0.00 0.00 51.96 51.28 1x4j s ALA 68 Cb -0.10 -3.46 -0.18 0.00 0.00 0.00 0.00 23.12 19.38 1x4j s ALA 68 CO 0.21 -1.48 1.24 -3.47 0.00 0.00 0.00 175.76 172.26 1x4j n ASP 69 N 6.57 0.66 0.00 0.00 2.03 -1.26 -3.47 116.55 121.09 1x4j n ASP 69 Ca 0.06 1.04 -0.20 0.00 0.52 0.00 0.00 54.79 56.21 1x4j n ASP 69 Cb 0.48 -0.79 -0.14 0.00 -0.72 0.00 0.00 41.12 39.95 1x4j n ASP 69 CO 0.00 0.00 0.00 0.77 -1.92 0.00 0.00 177.20 176.05 1x4j h SER 70 N 3.76 0.33 0.00 1.67 4.64 -1.92 -3.48 113.55 118.55 1x4j h SER 70 Ca -0.41 -0.86 0.00 0.00 -0.47 0.00 0.00 61.79 60.04 1x4j h SER 70 Cb 1.23 -0.11 0.00 0.00 -0.31 0.00 0.00 62.40 63.21 1x4j h SER 70 CO 0.76 1.49 0.00 0.61 -0.87 0.00 0.00 176.83 178.82 1x4j n GLY 71 N 1.68 3.47 3.60 -0.77 0.00 -1.26 -4.83 105.19 107.08 1x4j n GLY 71 Ca -0.21 -0.29 -0.43 0.00 0.00 0.00 0.00 46.02 45.09 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 -1.33 3.47 0.32 1.61 0.04 -1.26 -4.95 135.00 132.91 1x4j s PRO 72 Ca 0.00 1.37 -0.13 0.00 0.04 0.00 0.00 61.00 62.28 1x4j s PRO 72 Cb 0.00 -4.13 0.02 0.00 0.04 0.00 0.00 34.50 30.43 1x4j s PRO 72 CO 0.00 -1.69 0.62 -1.54 0.04 0.00 0.00 177.00 174.43 1x4j s SER 73 N 5.28 0.15 -0.14 6.66 1.04 -1.26 -5.10 113.70 120.33 1x4j s SER 73 Ca 0.74 -1.07 -0.14 0.00 0.48 0.00 0.00 55.95 55.96 1x4j s SER 73 Cb -0.21 0.72 -0.05 0.00 0.10 0.00 0.00 66.02 66.57 1x4j s SER 73 CO 0.33 -1.39 -0.28 -0.24 0.98 0.00 0.00 173.24 172.64 1x4j n SER 74 N -0.97 1.74 0.00 7.02 2.88 -1.26 -5.11 113.62 117.92 1x4j n SER 74 Ca -0.04 0.29 0.00 0.00 -1.33 0.00 0.00 58.87 57.79 1x4j n SER 74 Cb 0.61 -0.66 0.00 0.00 -0.75 0.00 0.00 64.21 63.41 1x4j n SER 74 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42