#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1x4j h SER 2 N 0.00 -0.28 0.05 1.61 0.02 -2.03 -3.41 113.55 109.51 1x4j h SER 2 Ca 0.00 -0.01 -0.33 0.00 -0.84 0.00 0.00 61.79 60.61 1x4j h SER 2 Cb 0.00 0.07 -0.04 0.00 0.14 0.00 0.00 62.40 62.58 1x4j h SER 2 CO 0.00 0.18 -1.81 -1.20 -1.14 0.00 0.00 176.83 172.86 1x4j n SER 3 N -5.00 1.98 0.00 3.07 7.64 -1.26 -5.10 113.62 114.95 1x4j n SER 3 Ca -0.04 0.28 0.00 0.00 1.01 0.00 0.00 58.87 60.12 1x4j n SER 3 Cb 0.14 -0.86 0.00 0.00 -1.01 0.00 0.00 64.21 62.48 1x4j n SER 3 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1x4j n GLY 4 N 1.69 -0.65 3.56 0.23 0.00 -1.26 -5.06 105.19 103.69 1x4j n GLY 4 Ca -0.36 -0.01 -0.27 0.00 0.00 0.00 0.00 46.02 45.37 1x4j n GLY 4 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1x4j s SER 5 N -4.00 4.81 -0.14 1.61 0.01 -1.26 -4.52 113.70 110.21 1x4j s SER 5 Ca 0.00 -0.13 -0.27 0.00 1.31 0.00 0.00 55.95 56.86 1x4j s SER 5 Cb 0.00 -2.55 -0.24 0.00 0.21 0.00 0.00 66.02 63.44 1x4j s SER 5 CO 0.00 -2.95 0.70 0.28 0.41 0.00 0.00 173.24 171.68 1x4j h SER 6 N 13.18 0.00 0.00 2.44 0.02 -2.00 -3.47 113.55 123.72 1x4j h SER 6 Ca -0.03 -0.92 0.00 0.00 -0.84 0.00 0.00 61.79 60.00 1x4j h SER 6 Cb 1.06 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.60 1x4j h SER 6 CO 1.16 1.00 0.00 0.61 -1.14 0.00 0.00 176.83 178.46 1x4j n GLY 7 N 1.61 -0.58 4.43 -3.77 0.00 -1.26 -4.52 105.19 101.10 1x4j n GLY 7 Ca -0.11 -1.23 -0.39 0.00 0.00 0.00 0.00 46.02 44.30 1x4j n GLY 7 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 1x4j n GLN 8 N 0.00 -1.19 -1.43 1.61 1.13 -1.26 -4.82 117.38 111.42 1x4j n GLN 8 Ca 0.00 0.17 -0.37 0.00 -1.94 0.00 0.00 57.00 54.86 1x4j n GLN 8 Cb 0.00 -4.51 0.06 0.00 0.11 0.00 0.00 30.24 25.90 1x4j n GLN 8 CO 0.00 0.00 0.00 1.28 -1.44 0.00 0.00 177.06 176.90 1x4j n LEU 9 N -4.24 1.73 -4.67 1.08 4.77 -1.26 -4.87 117.00 109.54 1x4j n LEU 9 Ca -0.00 0.70 -0.42 0.00 -0.03 0.00 0.00 56.01 56.25 1x4j n LEU 9 Cb 0.52 -1.26 -0.03 0.00 -2.33 0.00 0.00 43.42 40.33 1x4j n LEU 9 CO 0.92 -2.71 1.24 -2.16 -1.33 0.00 0.00 177.39 173.35 1x4j s PRO 10 N -2.56 4.22 -0.15 3.23 0.04 -1.26 -5.01 135.00 133.51 1x4j s PRO 10 Ca 0.70 2.02 -0.10 0.00 0.04 0.00 0.00 61.00 63.66 1x4j s PRO 10 Cb -0.40 -3.81 -0.05 0.00 0.04 0.00 0.00 34.50 30.28 1x4j s PRO 10 CO 0.53 -0.74 0.18 -1.12 0.04 0.00 0.00 177.00 175.89 1x4j s SER 11 N 2.61 6.35 0.09 6.66 0.01 -1.26 -4.67 113.70 123.48 1x4j s SER 11 Ca 0.67 0.41 -0.20 0.00 1.31 0.00 0.00 55.95 58.13 1x4j s SER 11 Cb -0.30 -2.11 0.05 0.00 0.21 0.00 0.00 66.02 63.86 1x4j s SER 11 CO 0.25 0.25 0.48 -0.72 0.41 0.00 0.00 173.24 173.91 1x4j s TYR 12 N -0.15 -0.36 -0.21 2.43 -0.85 -1.26 -5.08 117.35 111.87 1x4j s TYR 12 Ca 0.13 0.23 -0.23 0.00 -0.52 0.00 0.00 57.07 56.68 1x4j s TYR 12 Cb -0.12 0.34 -0.02 0.00 0.38 0.00 0.00 41.96 42.54 1x4j s TYR 12 CO 0.02 -0.69 0.72 1.03 -1.52 0.00 0.00 175.55 175.11 1x4j s ARG 13 N -3.14 4.21 0.24 -3.49 0.52 -1.26 -3.31 118.95 112.71 1x4j s ARG 13 Ca -0.01 0.77 -0.31 0.00 -0.52 0.00 0.00 55.73 55.66 1x4j s ARG 13 Cb 0.00 -3.61 -0.14 0.00 0.52 0.00 0.00 34.95 31.73 1x4j s ARG 13 CO -0.07 -0.36 1.27 0.34 0.02 0.00 0.00 175.30 176.50 1x4j n PHE 14 N 5.43 1.80 -3.74 -0.53 -0.00 -0.46 -4.77 117.46 115.19 1x4j n PHE 14 Ca 0.02 0.55 -0.16 0.00 -0.00 0.00 0.00 57.45 57.86 1x4j n PHE 14 Cb 0.49 -2.37 -0.16 0.00 -0.00 0.00 0.00 39.48 37.43 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 0.03 0.34 0.00 -2.13 0.01 -1.26 -0.76 114.94 111.17 1x4j s ASN 15 Ca 0.67 0.10 0.07 0.00 -0.71 0.00 0.00 52.86 52.99 1x4j s ASN 15 Cb -0.71 -0.04 0.44 0.00 0.41 0.00 0.00 41.25 41.36 1x4j s ASN 15 CO 0.53 -0.17 0.90 -0.81 -1.51 0.00 0.00 177.10 176.04 1x4j n PRO 16 N 4.51 0.49 -0.15 -0.60 -0.04 -1.26 -1.88 135.00 136.08 1x4j n PRO 16 Ca -0.21 0.00 0.04 0.00 -0.04 0.00 0.00 63.50 63.29 1x4j n PRO 16 Cb 0.50 -1.24 0.06 0.00 -0.04 0.00 0.00 33.50 32.78 1x4j n PRO 16 CO 0.00 0.00 0.00 0.09 -0.04 0.00 0.00 175.50 175.55 1x4j n ASN 17 N -0.74 1.40 0.04 3.54 4.13 -1.26 -4.88 115.26 117.50 1x4j n ASN 17 Ca 0.06 -2.31 0.00 0.00 1.68 0.00 0.00 54.58 54.01 1x4j n ASN 17 Cb 0.03 -0.22 0.00 0.00 -1.54 0.00 0.00 39.78 38.04 1x4j n ASN 17 CO 0.00 0.00 0.00 0.59 0.28 0.00 0.00 177.26 178.13 1x4j n ASN 18 N -0.69 0.18 -2.70 6.41 5.03 -0.79 -5.08 115.26 117.62 1x4j n ASN 18 Ca 0.06 0.14 -0.31 0.00 0.87 0.00 0.00 54.58 55.35 1x4j n ASN 18 Cb 0.55 0.03 -0.03 0.00 -1.02 0.00 0.00 39.78 39.31 1x4j n ASN 18 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.26 175.43 1x4j n HIS 19 N -2.93 -0.12 -0.00 3.10 1.44 -1.09 -4.88 115.22 110.74 1x4j n HIS 19 Ca 0.00 0.61 -0.22 0.00 -2.01 0.00 0.00 57.72 56.10 1x4j n HIS 19 Cb 0.00 -1.21 -0.14 0.00 0.12 0.00 0.00 29.99 28.76 1x4j n HIS 19 CO 0.00 0.00 0.00 -0.56 -2.81 0.00 0.00 176.34 172.97 1x4j h GLN 20 N 0.93 0.25 -7.41 -1.40 3.07 -1.98 -3.48 115.11 105.09 1x4j h GLN 20 Ca -0.21 -0.42 -0.45 0.00 0.09 0.00 0.00 58.65 57.66 1x4j h GLN 20 Cb 0.88 0.16 0.15 0.00 0.08 0.00 0.00 27.48 28.74 1x4j h GLN 20 CO 0.36 1.20 0.22 -1.12 0.09 0.00 0.00 178.83 179.58 1x4j s SER 21 N -7.05 2.79 0.00 0.06 0.01 -1.26 -5.01 113.70 103.25 1x4j s SER 21 Ca -0.22 1.07 0.00 0.00 1.31 0.00 0.00 55.95 58.11 1x4j s SER 21 Cb 0.06 -1.70 0.00 0.00 0.21 0.00 0.00 66.02 64.59 1x4j s SER 21 CO 0.76 -3.01 0.00 -1.84 0.41 0.00 0.00 173.24 169.55 1x4j n GLU 22 N -4.08 2.07 -0.40 12.44 0.28 -1.26 -4.71 120.64 124.98 1x4j n GLU 22 Ca 0.06 0.00 -0.05 0.00 -0.16 0.00 0.00 57.16 57.01 1x4j n GLU 22 Cb 0.58 -0.83 0.09 0.00 1.43 0.00 0.00 31.44 32.71 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 -1.04 1.72 -1.92 3.44 -0.00 -1.26 -4.87 117.38 113.45 1x4j n GLN 23 Ca 0.00 -1.07 -0.38 0.00 -0.00 0.00 0.00 57.00 55.55 1x4j n GLN 23 Cb 0.03 -1.52 -0.03 0.00 -0.00 0.00 0.00 30.24 28.72 1x4j n GLN 23 CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 177.06 178.01 1x4j s THR 24 N -1.29 3.27 0.01 -0.39 -4.23 -1.26 -4.93 115.64 106.82 1x4j s THR 24 Ca 0.20 0.17 -0.05 0.00 -1.18 0.00 0.00 61.69 60.82 1x4j s THR 24 Cb 0.16 -3.70 -0.01 0.00 1.34 0.00 0.00 72.50 70.30 1x4j s THR 24 CO 0.04 -0.67 0.09 -0.22 -0.54 0.00 0.00 174.62 173.33 1x4j s LEU 25 N 9.72 1.76 -0.82 4.79 0.20 -1.26 -4.35 118.68 128.73 1x4j s LEU 25 Ca 0.75 -0.33 -0.21 0.00 0.69 0.00 0.00 54.13 55.04 1x4j s LEU 25 Cb -0.14 0.52 0.10 0.00 -0.43 0.00 0.00 46.19 46.23 1x4j s LEU 25 CO 0.23 -0.37 1.07 0.00 -0.29 0.00 0.00 176.35 176.99 1x4j h VAL 27 N 5.96 0.00 0.35 0.00 3.04 -1.86 0.69 116.25 124.44 1x4j h VAL 27 Ca -0.04 0.00 -0.02 0.00 -1.01 0.00 0.00 66.70 65.64 1x4j h VAL 27 Cb 1.04 0.69 0.00 0.00 -2.01 0.00 0.00 31.29 31.02 1x4j h VAL 27 CO 1.16 0.00 -0.17 0.58 -1.01 0.00 0.00 177.57 178.13 1x4j h VAL 28 N 0.00 0.00 -0.60 1.51 2.07 -1.91 -3.32 116.25 114.00 1x4j h VAL 28 Ca 0.00 -0.26 -0.08 0.00 0.82 0.00 0.00 66.70 67.17 1x4j h VAL 28 Cb 0.45 0.00 -0.05 0.00 -1.52 0.00 0.00 31.29 30.17 1x4j h VAL 28 CO 0.00 0.00 0.10 0.00 0.02 0.00 0.00 177.57 177.69 1x4j n MET 30 N 0.17 -0.67 -4.05 0.00 0.00 0.24 -4.91 117.12 107.89 1x4j n MET 30 Ca 0.32 -0.01 -0.09 0.00 0.00 0.00 0.00 57.70 57.92 1x4j n MET 30 Cb 1.24 -2.19 -0.11 0.00 0.00 0.00 0.00 33.22 32.16 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 -2.14 6.98 0.26 0.00 -4.77 -1.26 -0.42 116.67 115.31 1x4j s ASP 32 Ca -0.04 1.17 -0.31 0.00 -3.30 0.00 0.00 52.55 50.07 1x4j s ASP 32 Cb -0.02 -2.40 -0.12 0.00 -1.09 0.00 0.00 42.92 39.29 1x4j s ASP 32 CO -0.04 -0.08 1.62 0.49 0.70 0.00 0.00 175.17 177.85 1x4j n PHE 33 N 3.64 2.75 -3.00 2.11 3.72 -1.26 -4.97 117.46 120.46 1x4j n PHE 33 Ca -0.02 0.21 -0.34 0.00 -0.05 0.00 0.00 57.45 57.25 1x4j n PHE 33 Cb 0.51 -2.61 -0.06 0.00 -0.94 0.00 0.00 39.48 36.38 1x4j n PHE 33 CO 0.00 0.00 0.00 -1.21 -0.05 0.00 0.00 176.76 175.50 1x4j s GLU 34 N 0.04 4.19 0.58 -1.08 0.41 -1.26 -5.03 118.70 116.56 1x4j s GLU 34 Ca 0.68 0.92 -0.20 0.00 -0.41 0.00 0.00 54.97 55.95 1x4j s GLU 34 Cb -0.52 -2.49 -0.04 0.00 -1.78 0.00 0.00 34.13 29.31 1x4j s GLU 34 CO 0.43 0.16 1.34 -1.54 -0.49 0.00 0.00 175.26 175.17 1x4j s SER 35 N -2.05 5.03 -1.01 -0.19 1.04 -1.26 -3.40 113.70 111.86 1x4j s SER 35 Ca 0.54 2.73 -0.01 0.00 0.48 0.00 0.00 55.95 59.68 1x4j s SER 35 Cb -0.12 -2.63 -0.02 0.00 0.10 0.00 0.00 66.02 63.35 1x4j s SER 35 CO 0.18 -1.73 0.85 0.54 0.98 0.00 0.00 173.24 174.06 1x4j n ARG 36 N -1.33 -4.74 -3.80 4.02 1.74 0.06 -4.97 116.66 107.64 1x4j n ARG 36 Ca 0.12 0.74 -0.13 0.00 -0.77 0.00 0.00 57.85 57.82 1x4j n ARG 36 Cb 0.46 -5.38 -0.13 0.00 -1.02 0.00 0.00 32.46 26.39 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 -4.92 0.14 0.04 5.56 -1.52 -1.22 -4.89 119.66 112.84 1x4j s GLN 37 Ca 0.11 0.26 -0.30 0.00 -1.95 0.00 0.00 55.36 53.47 1x4j s GLN 37 Cb -0.01 -0.01 -0.07 0.00 -0.22 0.00 0.00 33.01 32.70 1x4j s GLN 37 CO 0.64 -0.07 1.46 -1.17 -0.25 0.00 0.00 175.29 175.90 1x4j s LEU 38 N 0.47 4.34 0.34 2.90 1.98 -1.26 -1.36 118.68 126.08 1x4j s LEU 38 Ca -0.03 2.25 0.04 0.00 -2.89 0.00 0.00 54.13 53.49 1x4j s LEU 38 Cb -0.05 -3.57 -0.06 0.00 0.66 0.00 0.00 46.19 43.18 1x4j s LEU 38 CO -0.02 -0.75 0.06 -0.76 -1.89 0.00 0.00 176.35 172.99 1x4j s LEU 39 N 2.23 2.17 -0.12 -0.68 1.43 -1.21 -3.49 118.68 119.02 1x4j s LEU 39 Ca 0.66 -1.41 0.00 0.00 -1.03 0.00 0.00 54.13 52.36 1x4j s LEU 39 Cb -0.34 -0.37 0.02 0.00 0.03 0.00 0.00 46.19 45.53 1x4j s LEU 39 CO 0.29 -0.64 -0.11 -0.13 0.23 0.00 0.00 176.35 175.99 1x4j s ARG 40 N -3.88 1.88 -0.45 1.70 1.81 -0.37 -4.41 118.95 115.24 1x4j s ARG 40 Ca 0.35 -0.41 -0.18 0.00 -1.72 0.00 0.00 55.73 53.77 1x4j s ARG 40 Cb 0.08 -1.77 0.03 0.00 -0.45 0.00 0.00 34.95 32.85 1x4j s ARG 40 CO 0.15 -0.19 0.53 0.08 -0.68 0.00 0.00 175.30 175.19 1x4j s VAL 41 N 1.41 4.98 0.90 3.52 1.01 -1.26 -0.88 120.40 130.09 1x4j s VAL 41 Ca 0.01 -0.31 -0.12 0.00 0.00 0.00 0.00 61.98 61.56 1x4j s VAL 41 Cb -0.13 -4.14 0.08 0.00 0.00 0.00 0.00 36.38 32.18 1x4j s VAL 41 CO -0.07 -0.56 0.81 0.18 0.00 0.00 0.00 175.10 175.46 1x4j n LEU 42 N 5.87 1.85 0.00 3.92 4.77 0.24 -4.82 117.00 128.83 1x4j n LEU 42 Ca -0.06 0.42 0.01 0.00 -0.03 0.00 0.00 56.01 56.35 1x4j n LEU 42 Cb 0.47 -1.35 0.07 0.00 -2.33 0.00 0.00 43.42 40.27 1x4j n LEU 42 CO 0.50 -2.77 0.31 -0.81 -1.33 0.00 0.00 177.39 173.28 1x4j n PRO 43 N -2.83 0.49 -0.25 3.23 -0.04 -1.26 -2.17 135.00 132.16 1x4j n PRO 43 Ca 0.10 0.00 0.09 0.00 -0.04 0.00 0.00 63.50 63.64 1x4j n PRO 43 Cb 0.52 -1.07 0.18 0.00 -0.04 0.00 0.00 33.50 33.09 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 -1.15 -2.68 -3.86 0.00 4.13 -0.92 -5.04 115.26 105.74 1x4j n ASN 45 Ca 0.19 -0.48 -0.17 0.00 1.68 0.00 0.00 54.58 55.80 1x4j n ASN 45 Cb 0.73 -3.98 -0.16 0.00 -1.54 0.00 0.00 39.78 34.83 1x4j n ASN 45 CO 0.00 0.00 0.00 -1.00 0.28 0.00 0.00 177.26 176.54 1x4j s HIS 46 N -3.27 0.40 0.20 3.10 3.76 -1.24 -4.97 115.29 113.27 1x4j s HIS 46 Ca 0.06 -0.05 -0.13 0.00 -0.15 0.00 0.00 55.06 54.79 1x4j s HIS 46 Cb -0.01 -0.41 -0.07 0.00 1.11 0.00 0.00 32.58 33.20 1x4j s HIS 46 CO 0.55 -0.11 0.59 -1.21 -0.85 0.00 0.00 174.74 173.71 1x4j s GLU 47 N 0.72 3.95 0.28 1.40 8.01 -1.26 0.81 118.70 132.61 1x4j s GLU 47 Ca -0.08 0.48 -0.10 0.00 0.01 0.00 0.00 54.97 55.28 1x4j s GLU 47 Cb -0.11 -2.77 0.00 0.00 -4.31 0.00 0.00 34.13 26.94 1x4j s GLU 47 CO -0.01 0.38 0.49 -0.06 0.01 0.00 0.00 175.26 176.07 1x4j s PHE 48 N -1.65 0.57 -0.27 1.61 0.08 -0.06 -4.50 117.98 113.76 1x4j s PHE 48 Ca 0.43 -0.92 -0.21 0.00 0.12 0.00 0.00 56.93 56.36 1x4j s PHE 48 Cb -0.13 0.14 -0.01 0.00 -0.57 0.00 0.00 43.02 42.44 1x4j s PHE 48 CO 0.20 -1.07 0.65 -1.01 -0.10 0.00 0.00 175.22 173.89 1x4j s HIS 49 N -3.60 3.26 0.57 0.36 3.76 -1.26 -1.24 115.29 117.14 1x4j s HIS 49 Ca 0.25 0.78 0.41 0.00 -0.15 0.00 0.00 55.06 56.35 1x4j s HIS 49 Cb -0.01 -2.91 1.51 0.00 1.11 0.00 0.00 32.58 32.28 1x4j s HIS 49 CO 0.13 -0.38 1.60 0.00 -0.85 0.00 0.00 174.74 175.23 1x4j h ALA 50 N 7.97 3.40 0.03 -1.40 0.00 -1.84 0.36 119.26 127.78 1x4j h ALA 50 Ca -0.26 -0.05 -0.17 0.00 0.00 0.00 0.00 54.91 54.42 1x4j h ALA 50 Cb 1.12 0.11 -0.02 0.00 0.00 0.00 0.00 17.79 19.00 1x4j h ALA 50 CO 0.79 -1.95 -0.92 1.57 0.00 0.00 0.00 179.25 178.75 1x4j h LYS 51 N 0.00 0.07 0.09 0.00 2.10 -1.91 -3.28 116.57 113.63 1x4j h LYS 51 Ca 0.71 -0.11 -0.00 0.00 -2.00 0.00 0.00 60.65 59.24 1x4j h LYS 51 Cb 3.06 0.04 0.00 0.00 -0.90 0.00 0.00 32.23 34.43 1x4j h LYS 51 CO -0.01 1.05 -0.04 0.00 -2.00 0.00 0.00 179.45 178.46 1x4j h VAL 53 N -0.12 0.04 -0.08 0.00 3.04 -1.14 0.59 116.25 118.58 1x4j h VAL 53 Ca -0.01 -0.01 0.03 0.00 -1.01 0.00 0.00 66.70 65.69 1x4j h VAL 53 Cb 0.09 -0.00 -0.03 0.00 -2.01 0.00 0.00 31.29 29.34 1x4j h VAL 53 CO 0.02 0.01 -0.08 -0.78 -1.01 0.00 0.00 177.57 175.73 1x4j h ASP 54 N 0.04 -0.25 -0.18 3.17 3.58 -1.59 0.25 116.42 121.44 1x4j h ASP 54 Ca 0.85 0.05 -0.05 0.00 0.42 0.00 0.00 57.03 58.30 1x4j h ASP 54 Cb 2.46 0.12 -0.00 0.00 1.72 0.00 0.00 39.33 43.62 1x4j h ASP 54 CO -0.61 -0.11 -0.09 0.11 -2.88 0.00 0.00 179.24 175.66 1x4j h LYS 55 N -0.10 0.37 0.40 0.28 1.57 0.34 -3.13 116.57 116.30 1x4j h LYS 55 Ca 0.06 -0.16 -0.01 0.00 -1.87 0.00 0.00 60.65 58.67 1x4j h LYS 55 Cb 0.19 -0.01 -0.02 0.00 0.08 0.00 0.00 32.23 32.47 1x4j h LYS 55 CO -0.14 0.68 -0.37 2.35 -0.57 0.00 0.00 179.45 181.39 1x4j h TRP 56 N 0.06 -1.01 -1.23 -1.35 2.91 -0.94 -1.85 115.95 112.53 1x4j h TRP 56 Ca 0.04 0.00 0.38 0.00 1.13 0.00 0.00 58.89 60.44 1x4j h TRP 56 Cb 0.57 0.39 -0.11 0.00 -0.51 0.00 0.00 29.16 29.50 1x4j h TRP 56 CO 0.06 -0.53 0.80 -0.07 -1.03 0.00 0.00 178.44 177.68 1x4j h LEU 57 N -0.79 0.30 -0.62 0.65 3.38 -0.57 0.71 115.31 118.37 1x4j h LEU 57 Ca -0.03 0.11 -0.00 0.00 0.09 0.00 0.00 57.88 58.04 1x4j h LEU 57 Cb 0.70 0.08 -0.03 0.00 0.09 0.00 0.00 40.66 41.50 1x4j h LEU 57 CO -0.05 -0.08 0.37 0.50 0.09 0.00 0.00 178.44 179.26 1x4j h LYS 58 N 0.18 0.84 0.04 1.13 3.64 -1.28 -3.16 116.57 117.97 1x4j h LYS 58 Ca 0.74 -0.08 -0.09 0.00 -1.27 0.00 0.00 60.65 59.95 1x4j h LYS 58 Cb 2.22 -0.17 0.01 0.00 -0.41 0.00 0.00 32.23 33.88 1x4j h LYS 58 CO -0.36 0.61 -0.37 0.00 -2.27 0.00 0.00 179.45 177.06 1x4j h ALA 59 N 1.18 -0.01 -3.32 5.00 0.00 0.37 -3.45 119.26 119.03 1x4j h ALA 59 Ca 0.22 -0.55 -0.50 0.00 0.00 0.00 0.00 54.91 54.08 1x4j h ALA 59 Cb -0.01 0.04 -0.35 0.00 0.00 0.00 0.00 17.79 17.46 1x4j h ALA 59 CO -0.04 0.16 -0.80 -0.80 0.00 0.00 0.00 179.25 177.77 1x4j s ASN 60 N -6.51 1.78 -0.09 0.00 0.01 0.59 -5.01 114.94 105.72 1x4j s ASN 60 Ca -0.16 -0.26 0.01 0.00 -0.71 0.00 0.00 52.86 51.74 1x4j s ASN 60 Cb -0.00 -0.74 0.12 0.00 0.41 0.00 0.00 41.25 41.03 1x4j s ASN 60 CO 0.76 -0.05 1.26 0.54 -1.51 0.00 0.00 177.10 178.10 1x4j n ARG 61 N 4.38 1.24 -4.29 -0.60 1.74 -1.23 -3.65 116.66 114.25 1x4j n ARG 61 Ca -0.18 -0.55 -0.16 0.00 -0.77 0.00 0.00 57.85 56.19 1x4j n ARG 61 Cb 0.51 -1.22 -0.10 0.00 -1.02 0.00 0.00 32.46 30.63 1x4j n ARG 61 CO 0.00 0.00 0.00 0.95 -1.52 0.00 0.00 177.63 177.06 1x4j s THR 62 N -0.63 0.92 -0.05 0.55 -4.23 -1.26 -2.74 115.64 108.19 1x4j s THR 62 Ca 0.11 -2.02 -0.30 0.00 -1.18 0.00 0.00 61.69 58.30 1x4j s THR 62 Cb 0.09 -2.23 -0.04 0.00 1.34 0.00 0.00 72.50 71.66 1x4j s THR 62 CO 0.02 -0.40 1.23 0.00 -0.54 0.00 0.00 174.62 174.93 1x4j n PRO 64 N 5.28 0.49 0.01 0.00 -0.04 -1.26 0.02 135.00 139.51 1x4j n PRO 64 Ca 0.11 0.00 -0.01 0.00 -0.04 0.00 0.00 63.50 63.56 1x4j n PRO 64 Cb 0.46 -1.06 -0.00 0.00 -0.04 0.00 0.00 33.50 32.86 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 -0.56 0.73 -1.10 0.52 5.41 -1.26 -4.82 119.36 118.29 1x4j n ILE 65 Ca 0.01 0.25 0.03 0.00 1.00 0.00 0.00 62.75 64.04 1x4j n ILE 65 Cb 0.01 -1.46 0.26 0.00 -0.71 0.00 0.00 39.64 37.73 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 -0.54 -2.12 -2.32 0.00 3.00 0.10 -4.76 116.66 110.03 1x4j n ARG 67 Ca 0.28 0.00 -0.38 0.00 -0.01 0.00 0.00 57.85 57.74 1x4j n ARG 67 Cb 1.04 -3.94 -0.03 0.00 0.00 0.00 0.00 32.46 29.52 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 -1.49 2.41 -0.38 7.54 0.00 -1.26 -4.47 121.76 124.11 1x4j s ALA 68 Ca 0.00 -1.32 -0.34 0.00 0.00 0.00 0.00 51.96 50.30 1x4j s ALA 68 Cb 0.00 -4.36 -0.15 0.00 0.00 0.00 0.00 23.12 18.61 1x4j s ALA 68 CO 0.00 -3.75 1.50 -3.47 0.00 0.00 0.00 175.76 170.03 1x4j n ASP 69 N 10.99 0.68 -0.01 0.00 -0.08 -1.26 -3.32 116.55 123.56 1x4j n ASP 69 Ca 0.19 0.64 -0.09 0.00 -1.51 0.00 0.00 54.79 54.01 1x4j n ASP 69 Cb 0.50 -0.68 -0.04 0.00 2.34 0.00 0.00 41.12 43.24 1x4j n ASP 69 CO 0.00 0.00 0.00 -1.28 0.12 0.00 0.00 177.20 176.04 1x4j h SER 70 N 5.87 -0.21 0.00 1.67 0.87 -1.84 -3.45 113.55 116.46 1x4j h SER 70 Ca -0.16 0.05 0.00 0.00 -1.23 0.00 0.00 61.79 60.45 1x4j h SER 70 Cb 1.07 0.12 0.00 0.00 -0.44 0.00 0.00 62.40 63.14 1x4j h SER 70 CO 0.80 -0.08 0.00 0.61 -0.53 0.00 0.00 176.83 177.63 1x4j n GLY 71 N -1.20 0.30 0.00 5.77 0.00 -1.26 -4.87 105.19 103.94 1x4j n GLY 71 Ca -0.04 0.69 0.06 0.00 0.00 0.00 0.00 46.02 46.73 1x4j n GLY 71 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1x4j n PRO 72 N 0.00 0.49 -0.87 1.61 -0.04 -1.26 -4.86 135.00 130.08 1x4j n PRO 72 Ca 0.00 0.00 -0.34 0.00 -0.04 0.00 0.00 63.50 63.12 1x4j n PRO 72 Cb 0.00 -1.39 0.09 0.00 -0.04 0.00 0.00 33.50 32.16 1x4j n PRO 72 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 1x4j n SER 73 N -0.89 -3.52 -4.55 3.54 2.88 -1.26 -4.80 113.62 105.01 1x4j n SER 73 Ca 0.09 0.24 -0.40 0.00 -1.33 0.00 0.00 58.87 57.47 1x4j n SER 73 Cb 0.04 -1.01 -0.03 0.00 -0.75 0.00 0.00 64.21 62.46 1x4j n SER 73 CO 0.00 0.00 0.00 -0.94 -1.23 0.00 0.00 175.04 172.87 1x4j s SER 74 N -1.61 6.11 0.00 -3.46 1.04 -1.26 -5.20 113.70 109.31 1x4j s SER 74 Ca 0.50 -0.68 0.00 0.00 0.48 0.00 0.00 55.95 56.25 1x4j s SER 74 Cb -0.18 -2.56 0.00 0.00 0.10 0.00 0.00 66.02 63.38 1x4j s SER 74 CO 0.73 -1.85 0.00 0.61 0.98 0.00 0.00 173.24 173.71