#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 5.13 0.45 1.61 0.01 -1.26 -5.03 113.70 114.61 1x4j s SER 2 Ca 0.00 0.26 -0.24 0.00 1.31 0.00 0.00 55.95 57.28 1x4j s SER 2 Cb 0.00 -1.07 -0.09 0.00 0.21 0.00 0.00 66.02 65.06 1x4j s SER 2 CO 0.00 -1.31 1.15 -0.24 0.41 0.00 0.00 173.24 173.25 1x4j n SER 3 N -2.60 1.91 -3.18 2.44 2.88 -1.26 -4.96 113.62 108.85 1x4j n SER 3 Ca 0.07 1.04 -0.09 0.00 -1.33 0.00 0.00 58.87 58.57 1x4j n SER 3 Cb 0.60 -1.44 0.09 0.00 -0.75 0.00 0.00 64.21 62.70 1x4j n SER 3 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1x4j n GLY 4 N 0.99 -2.52 3.05 0.46 0.00 -1.26 -4.98 105.19 100.94 1x4j n GLY 4 Ca 0.09 -0.82 -0.32 0.00 0.00 0.00 0.00 46.02 44.97 1x4j n GLY 4 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1x4j s SER 5 N -1.97 4.44 -0.50 1.61 0.15 -1.26 -5.04 113.70 111.13 1x4j s SER 5 Ca 0.19 -1.48 0.04 0.00 0.70 0.00 0.00 55.95 55.40 1x4j s SER 5 Cb -0.03 -1.53 0.16 0.00 -1.71 0.00 0.00 66.02 62.91 1x4j s SER 5 CO 0.16 -0.22 0.36 -0.44 1.20 0.00 0.00 173.24 174.30 1x4j s SER 6 N 1.10 2.98 0.00 5.45 0.01 -1.26 -5.00 113.70 116.98 1x4j s SER 6 Ca -0.06 -3.15 0.00 0.00 1.31 0.00 0.00 55.95 54.05 1x4j s SER 6 Cb -0.20 -0.91 0.00 0.00 0.21 0.00 0.00 66.02 65.12 1x4j s SER 6 CO -0.06 -0.17 0.00 0.61 0.41 0.00 0.00 173.24 174.03 1x4j n GLY 7 N 2.81 0.54 4.00 3.44 0.00 -1.26 -5.17 105.19 109.56 1x4j n GLY 7 Ca 0.21 0.38 -0.21 0.00 0.00 0.00 0.00 46.02 46.41 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 1.50 2.33 0.34 1.61 -1.52 -1.26 -5.12 119.66 117.55 1x4j s GLN 8 Ca 0.00 -1.70 -0.09 0.00 -1.95 0.00 0.00 55.36 51.62 1x4j s GLN 8 Cb 0.00 -2.53 -0.07 0.00 -0.22 0.00 0.00 33.01 30.19 1x4j s GLN 8 CO 0.00 -0.76 0.68 -0.51 -0.25 0.00 0.00 175.29 174.45 1x4j s LEU 9 N -4.55 3.96 0.25 2.90 1.43 -1.26 -5.05 118.68 116.36 1x4j s LEU 9 Ca 0.55 1.01 -0.30 0.00 -1.03 0.00 0.00 54.13 54.37 1x4j s LEU 9 Cb -0.05 -3.85 -0.09 0.00 0.03 0.00 0.00 46.19 42.22 1x4j s LEU 9 CO 0.35 -0.28 1.27 -2.16 0.23 0.00 0.00 176.35 175.75 1x4j s PRO 10 N -3.53 4.43 -0.14 1.29 0.04 -1.26 -5.03 135.00 130.81 1x4j s PRO 10 Ca 0.49 2.05 -0.06 0.00 0.04 0.00 0.00 61.00 63.52 1x4j s PRO 10 Cb -0.10 -3.16 -0.04 0.00 0.04 0.00 0.00 34.50 31.24 1x4j s PRO 10 CO 0.28 -0.14 0.10 -1.12 0.04 0.00 0.00 177.00 176.15 1x4j s SER 11 N -0.13 6.00 -0.02 6.66 0.01 -1.26 -4.54 113.70 120.42 1x4j s SER 11 Ca 0.52 0.30 -0.29 0.00 1.31 0.00 0.00 55.95 57.79 1x4j s SER 11 Cb -0.36 -1.94 0.07 0.00 0.21 0.00 0.00 66.02 64.00 1x4j s SER 11 CO 0.43 0.33 0.65 -0.72 0.41 0.00 0.00 173.24 174.34 1x4j s TYR 12 N -0.56 -0.62 0.30 2.43 1.13 -1.26 -5.04 117.35 113.72 1x4j s TYR 12 Ca 0.12 1.00 -0.11 0.00 -1.41 0.00 0.00 57.07 56.66 1x4j s TYR 12 Cb -0.12 0.41 -0.07 0.00 -1.10 0.00 0.00 41.96 41.08 1x4j s TYR 12 CO 0.02 -0.63 0.65 1.03 -2.51 0.00 0.00 175.55 174.11 1x4j s ARG 13 N -1.49 3.85 0.21 -3.49 0.52 -1.26 -3.06 118.95 114.22 1x4j s ARG 13 Ca -0.10 0.42 -0.30 0.00 -0.52 0.00 0.00 55.73 55.23 1x4j s ARG 13 Cb -0.00 -2.53 -0.08 0.00 0.52 0.00 0.00 34.95 32.85 1x4j s ARG 13 CO 0.07 0.19 1.19 0.12 0.02 0.00 0.00 175.30 176.90 1x4j s PHE 14 N -1.99 3.42 -0.31 -0.53 5.36 -1.22 -4.90 117.98 117.81 1x4j s PHE 14 Ca 0.50 1.46 -0.00 0.00 -0.96 0.00 0.00 56.93 57.93 1x4j s PHE 14 Cb -0.11 -3.43 0.10 0.00 -0.34 0.00 0.00 43.02 39.24 1x4j s PHE 14 CO 0.22 -1.17 0.08 -0.80 -1.46 0.00 0.00 175.22 172.10 1x4j s ASN 15 N -0.05 4.10 0.00 6.13 -0.87 -1.26 -3.54 114.94 119.46 1x4j s ASN 15 Ca 0.51 -1.67 0.00 0.00 -1.57 0.00 0.00 52.86 50.13 1x4j s ASN 15 Cb -0.33 -0.99 0.01 0.00 -0.02 0.00 0.00 41.25 39.91 1x4j s ASN 15 CO 0.38 -0.40 0.49 -0.81 -2.57 0.00 0.00 177.10 174.20 1x4j n PRO 16 N 4.75 0.49 -0.02 -0.60 -0.04 -1.26 -1.36 135.00 136.96 1x4j n PRO 16 Ca -0.02 0.00 -0.03 0.00 -0.04 0.00 0.00 63.50 63.42 1x4j n PRO 16 Cb 0.42 -1.00 -0.01 0.00 -0.04 0.00 0.00 33.50 32.87 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 -0.50 2.75 -0.05 3.54 3.02 -1.26 -4.82 115.26 117.94 1x4j n ASN 17 Ca 0.00 -0.00 -0.18 0.00 -0.03 0.00 0.00 54.58 54.37 1x4j n ASN 17 Cb 0.00 -0.07 -0.13 0.00 -0.61 0.00 0.00 39.78 38.97 1x4j n ASN 17 CO 0.00 0.00 0.00 0.78 -2.62 0.00 0.00 177.26 175.42 1x4j h ASN 18 N -0.04 0.11 -0.68 6.41 2.35 -1.95 -3.46 115.58 118.33 1x4j h ASN 18 Ca -0.08 -0.86 -0.57 0.00 -0.55 0.00 0.00 56.30 54.24 1x4j h ASN 18 Cb 1.11 -0.04 0.02 0.00 0.05 0.00 0.00 38.32 39.46 1x4j h ASN 18 CO -0.02 1.24 0.29 1.41 -1.65 0.00 0.00 177.43 178.70 1x4j n HIS 19 N -4.42 0.88 -0.05 1.19 8.25 -0.47 -4.86 115.22 115.75 1x4j n HIS 19 Ca -0.17 0.75 -0.19 0.00 -0.26 0.00 0.00 57.72 57.85 1x4j n HIS 19 Cb 0.63 -1.47 -0.13 0.00 1.12 0.00 0.00 29.99 30.13 1x4j n HIS 19 CO 0.00 0.00 0.00 -0.56 0.64 0.00 0.00 176.34 176.42 1x4j h GLN 20 N 2.83 0.09 -7.26 -0.41 3.07 -1.90 -3.47 115.11 108.05 1x4j h GLN 20 Ca -0.32 -0.15 -0.50 0.00 0.09 0.00 0.00 58.65 57.77 1x4j h GLN 20 Cb 0.95 0.06 0.08 0.00 0.08 0.00 0.00 27.48 28.64 1x4j h GLN 20 CO 0.57 1.07 0.37 0.45 0.09 0.00 0.00 178.83 181.39 1x4j s SER 21 N -6.66 5.62 -0.06 0.06 0.15 -1.26 -4.98 113.70 106.57 1x4j s SER 21 Ca -0.21 1.72 0.08 0.00 0.70 0.00 0.00 55.95 58.24 1x4j s SER 21 Cb 0.02 -2.51 0.13 0.00 -1.71 0.00 0.00 66.02 61.94 1x4j s SER 21 CO 0.69 -1.28 1.03 -1.84 1.20 0.00 0.00 173.24 173.05 1x4j n GLU 22 N -2.52 1.84 -0.36 5.44 0.28 -1.26 -4.62 120.64 119.43 1x4j n GLU 22 Ca 0.08 -1.86 0.08 0.00 -0.16 0.00 0.00 57.16 55.30 1x4j n GLU 22 Cb 0.53 -1.15 0.24 0.00 1.43 0.00 0.00 31.44 32.49 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 -0.84 3.08 -2.19 3.44 -0.00 -1.26 -4.94 117.38 114.67 1x4j n GLN 23 Ca 0.07 -2.50 -0.39 0.00 -0.00 0.00 0.00 57.00 54.18 1x4j n GLN 23 Cb 0.47 -1.59 -0.03 0.00 -0.00 0.00 0.00 30.24 29.09 1x4j n GLN 23 CO 0.00 0.00 0.00 -0.08 0.00 0.00 0.00 177.06 176.98 1x4j s THR 24 N -1.75 3.48 -0.01 -0.39 -1.32 -1.26 -4.95 115.64 109.45 1x4j s THR 24 Ca 0.36 0.30 -0.05 0.00 -1.21 0.00 0.00 61.69 61.09 1x4j s THR 24 Cb 0.24 -4.22 0.00 0.00 -1.51 0.00 0.00 72.50 67.01 1x4j s THR 24 CO 0.16 -1.15 0.10 -0.22 -2.21 0.00 0.00 174.62 171.29 1x4j s LEU 25 N 7.95 1.69 -0.99 9.08 0.20 -1.26 -4.32 118.68 131.03 1x4j s LEU 25 Ca 0.58 -0.11 -0.23 0.00 0.69 0.00 0.00 54.13 55.06 1x4j s LEU 25 Cb -0.12 0.46 0.04 0.00 -0.43 0.00 0.00 46.19 46.15 1x4j s LEU 25 CO 0.20 -0.24 1.46 0.00 -0.29 0.00 0.00 176.35 177.48 1x4j h VAL 27 N 6.76 0.29 0.23 0.00 3.04 -1.87 0.93 116.25 125.63 1x4j h VAL 27 Ca 0.16 0.00 -0.01 0.00 -1.01 0.00 0.00 66.70 65.83 1x4j h VAL 27 Cb 1.01 0.47 0.00 0.00 -2.01 0.00 0.00 31.29 30.76 1x4j h VAL 27 CO 1.41 0.00 -0.11 0.58 -1.01 0.00 0.00 177.57 178.44 1x4j h VAL 28 N 0.00 0.00 -0.57 1.51 2.07 -1.91 -3.25 116.25 114.10 1x4j h VAL 28 Ca 0.32 -0.02 -0.05 0.00 0.82 0.00 0.00 66.70 67.77 1x4j h VAL 28 Cb 1.67 0.00 -0.03 0.00 -1.52 0.00 0.00 31.29 31.42 1x4j h VAL 28 CO -0.00 0.00 0.06 0.00 0.02 0.00 0.00 177.57 177.64 1x4j n MET 30 N 0.43 -0.70 -4.24 0.00 0.00 0.32 -4.91 117.12 108.01 1x4j n MET 30 Ca 0.28 -0.02 -0.18 0.00 0.00 0.00 0.00 57.70 57.79 1x4j n MET 30 Cb 1.17 -2.02 -0.13 0.00 0.00 0.00 0.00 33.22 32.24 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 -1.11 6.49 0.13 0.00 1.11 -1.26 -0.95 116.67 121.08 1x4j s ASP 32 Ca -0.01 0.19 -0.19 0.00 0.18 0.00 0.00 52.55 52.72 1x4j s ASP 32 Cb -0.08 -2.55 -0.11 0.00 1.07 0.00 0.00 42.92 41.25 1x4j s ASP 32 CO 0.01 -1.42 0.36 0.49 1.18 0.00 0.00 175.17 175.78 1x4j n PHE 33 N 8.28 -0.30 -3.92 4.23 3.72 -1.26 -4.92 117.46 123.29 1x4j n PHE 33 Ca 0.09 0.65 -0.32 0.00 -0.05 0.00 0.00 57.45 57.83 1x4j n PHE 33 Cb 0.49 -1.31 -0.04 0.00 -0.94 0.00 0.00 39.48 37.68 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 -0.65 3.42 1.00 -1.08 0.41 -1.26 -5.07 118.70 115.47 1x4j s GLU 34 Ca 0.43 -0.42 -0.13 0.00 -0.41 0.00 0.00 54.97 54.44 1x4j s GLU 34 Cb -0.63 -3.04 0.10 0.00 -1.78 0.00 0.00 34.13 28.78 1x4j s GLU 34 CO 0.37 0.62 0.58 -1.13 -0.49 0.00 0.00 175.26 175.22 1x4j n SER 35 N 0.45 -1.52 -3.96 -0.19 3.41 -1.26 -3.34 113.62 107.20 1x4j n SER 35 Ca -0.06 0.22 -0.30 0.00 -0.26 0.00 0.00 58.87 58.47 1x4j n SER 35 Cb 0.51 -1.24 -0.01 0.00 -0.26 0.00 0.00 64.21 63.22 1x4j n SER 35 CO 0.00 0.00 0.00 -2.11 -0.16 0.00 0.00 175.04 172.77 1x4j n ARG 36 N -2.72 -2.09 -3.76 4.33 1.85 -1.23 -4.84 116.66 108.18 1x4j n ARG 36 Ca 0.07 0.33 -0.13 0.00 -1.00 0.00 0.00 57.85 57.11 1x4j n ARG 36 Cb 0.55 -4.04 -0.14 0.00 -1.05 0.00 0.00 32.46 27.78 1x4j n ARG 36 CO 0.00 0.00 0.00 -0.65 -0.01 0.00 0.00 177.63 176.97 1x4j s GLN 37 N -6.66 0.11 0.05 2.89 -1.52 -1.21 -4.94 119.66 108.38 1x4j s GLN 37 Ca 0.17 0.33 -0.31 0.00 -1.95 0.00 0.00 55.36 53.61 1x4j s GLN 37 Cb -0.07 -0.12 -0.07 0.00 -0.22 0.00 0.00 33.01 32.52 1x4j s GLN 37 CO 0.91 -0.13 1.51 -1.17 -0.25 0.00 0.00 175.29 176.15 1x4j s LEU 38 N 0.93 4.35 0.09 2.90 2.96 -1.26 -3.38 118.68 125.26 1x4j s LEU 38 Ca -0.07 2.32 0.07 0.00 -0.22 0.00 0.00 54.13 56.23 1x4j s LEU 38 Cb -0.09 -3.57 -0.03 0.00 0.50 0.00 0.00 46.19 43.00 1x4j s LEU 38 CO -0.05 -0.78 -0.19 -0.76 -1.32 0.00 0.00 176.35 173.25 1x4j s LEU 39 N 2.24 2.28 -0.20 -0.68 1.43 -1.17 -2.89 118.68 119.69 1x4j s LEU 39 Ca 0.68 -0.65 -0.03 0.00 -1.03 0.00 0.00 54.13 53.10 1x4j s LEU 39 Cb -0.36 -0.78 -0.01 0.00 0.03 0.00 0.00 46.19 45.07 1x4j s LEU 39 CO 0.29 0.03 -0.07 -0.13 0.23 0.00 0.00 176.35 176.70 1x4j s ARG 40 N -1.80 3.35 -0.34 1.70 1.81 -0.15 -4.19 118.95 119.32 1x4j s ARG 40 Ca 0.04 -0.65 -0.18 0.00 -1.72 0.00 0.00 55.73 53.22 1x4j s ARG 40 Cb -0.10 -2.90 -0.01 0.00 -0.45 0.00 0.00 34.95 31.50 1x4j s ARG 40 CO 0.03 -0.12 0.50 0.08 -0.68 0.00 0.00 175.30 175.12 1x4j s VAL 41 N 1.24 5.03 0.84 3.52 1.01 -1.26 -1.26 120.40 129.52 1x4j s VAL 41 Ca 0.03 0.39 -0.12 0.00 0.00 0.00 0.00 61.98 62.28 1x4j s VAL 41 Cb -0.14 -3.93 0.10 0.00 0.00 0.00 0.00 36.38 32.40 1x4j s VAL 41 CO -0.03 -0.17 1.16 -0.76 0.00 0.00 0.00 175.10 175.30 1x4j s LEU 42 N 2.36 3.02 0.00 3.92 1.43 0.14 -4.85 118.68 124.69 1x4j s LEU 42 Ca 0.18 2.20 0.05 0.00 -1.03 0.00 0.00 54.13 55.53 1x4j s LEU 42 Cb -0.16 -4.57 0.28 0.00 0.03 0.00 0.00 46.19 41.78 1x4j s LEU 42 CO 0.13 -2.72 0.74 -0.81 0.23 0.00 0.00 176.35 173.92 1x4j n PRO 43 N -3.68 0.48 -0.19 1.29 -0.04 -1.26 -1.95 135.00 129.65 1x4j n PRO 43 Ca 0.12 0.00 0.06 0.00 -0.04 0.00 0.00 63.50 63.64 1x4j n PRO 43 Cb 0.52 -1.15 0.15 0.00 -0.04 0.00 0.00 33.50 32.98 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 0.29 -2.42 -3.87 0.00 4.05 -0.82 -5.07 115.26 107.42 1x4j n ASN 45 Ca 0.12 -0.19 -0.13 0.00 0.45 0.00 0.00 54.58 54.83 1x4j n ASN 45 Cb 0.47 -1.84 -0.14 0.00 1.23 0.00 0.00 39.78 39.49 1x4j n ASN 45 CO 0.00 0.00 0.00 -1.00 -3.05 0.00 0.00 177.26 173.21 1x4j s HIS 46 N -3.11 0.11 0.15 1.20 3.76 -1.24 -4.97 115.29 111.19 1x4j s HIS 46 Ca 0.04 0.00 -0.12 0.00 -0.15 0.00 0.00 55.06 54.83 1x4j s HIS 46 Cb -0.01 -0.11 -0.07 0.00 1.11 0.00 0.00 32.58 33.50 1x4j s HIS 46 CO 0.21 -0.02 0.52 -1.21 -0.85 0.00 0.00 174.74 173.39 1x4j s GLU 47 N 0.19 3.90 0.28 1.40 8.01 -1.26 0.25 118.70 131.47 1x4j s GLU 47 Ca -0.02 0.38 -0.10 0.00 0.01 0.00 0.00 54.97 55.24 1x4j s GLU 47 Cb -0.03 -2.88 0.00 0.00 -4.31 0.00 0.00 34.13 26.91 1x4j s GLU 47 CO -0.01 0.46 0.49 -0.06 0.01 0.00 0.00 175.26 176.16 1x4j s PHE 48 N -1.53 0.53 -0.33 1.61 0.08 -0.39 -4.54 117.98 113.42 1x4j s PHE 48 Ca 0.39 -0.89 -0.21 0.00 0.12 0.00 0.00 56.93 56.35 1x4j s PHE 48 Cb -0.14 0.16 -0.00 0.00 -0.57 0.00 0.00 43.02 42.47 1x4j s PHE 48 CO 0.19 -1.07 0.65 -1.01 -0.10 0.00 0.00 175.22 173.89 1x4j s HIS 49 N -3.65 3.17 0.47 0.36 3.76 -1.26 -0.98 115.29 117.17 1x4j s HIS 49 Ca 0.24 0.49 0.40 0.00 -0.15 0.00 0.00 55.06 56.03 1x4j s HIS 49 Cb -0.01 -3.11 1.36 0.00 1.11 0.00 0.00 32.58 31.93 1x4j s HIS 49 CO 0.12 -0.57 1.28 0.00 -0.85 0.00 0.00 174.74 174.72 1x4j n ALA 50 N 6.02 1.49 -0.08 -1.40 0.00 -1.14 0.12 120.51 125.52 1x4j n ALA 50 Ca -0.00 0.51 -0.19 0.00 0.00 0.00 0.00 53.44 53.75 1x4j n ALA 50 Cb 0.49 -0.89 -0.12 0.00 0.00 0.00 0.00 19.45 18.92 1x4j n ALA 50 CO 0.00 0.00 0.00 1.57 0.00 0.00 0.00 177.50 179.07 1x4j h LYS 51 N 0.00 0.03 0.00 0.00 2.10 -1.91 -3.32 116.57 113.47 1x4j h LYS 51 Ca 0.74 -0.05 0.00 0.00 -2.00 0.00 0.00 60.65 59.33 1x4j h LYS 51 Cb 3.09 0.02 0.00 0.00 -0.90 0.00 0.00 32.23 34.44 1x4j h LYS 51 CO -0.01 1.03 0.00 0.00 -2.00 0.00 0.00 179.45 178.47 1x4j n VAL 53 N -1.72 -0.28 -0.01 0.00 3.14 -0.37 0.18 118.33 119.26 1x4j n VAL 53 Ca 0.00 1.57 -0.11 0.00 -2.96 0.00 0.00 64.34 62.84 1x4j n VAL 53 Cb 0.00 -2.57 -0.05 0.00 -1.06 0.00 0.00 33.84 30.16 1x4j n VAL 53 CO 0.00 0.00 0.00 -0.78 -6.46 0.00 0.00 176.83 169.59 1x4j h ASP 54 N 0.00 0.13 -0.41 6.55 3.58 -1.61 0.14 116.42 124.79 1x4j h ASP 54 Ca 0.70 -0.05 -0.07 0.00 0.42 0.00 0.00 57.03 58.04 1x4j h ASP 54 Cb 2.04 -0.03 -0.01 0.00 1.72 0.00 0.00 39.33 43.04 1x4j h ASP 54 CO -0.52 0.14 -0.01 0.50 -2.88 0.00 0.00 179.24 176.47 1x4j h LYS 55 N 0.11 0.74 0.91 0.28 3.64 0.22 -2.89 116.57 119.58 1x4j h LYS 55 Ca 0.04 -0.24 -0.04 0.00 -1.27 0.00 0.00 60.65 59.14 1x4j h LYS 55 Cb 0.03 -0.06 0.01 0.00 -0.41 0.00 0.00 32.23 31.79 1x4j h LYS 55 CO -0.01 0.82 -0.44 2.35 -2.27 0.00 0.00 179.45 179.91 1x4j h TRP 56 N 0.57 -1.13 -1.27 1.91 2.91 -1.02 -2.69 115.95 115.22 1x4j h TRP 56 Ca 0.12 -0.03 0.38 0.00 1.13 0.00 0.00 58.89 60.49 1x4j h TRP 56 Cb 0.49 0.37 -0.10 0.00 -0.51 0.00 0.00 29.16 29.42 1x4j h TRP 56 CO 0.04 -0.70 0.85 -0.07 -1.03 0.00 0.00 178.44 177.53 1x4j h LEU 57 N -1.29 0.24 -0.80 0.65 3.38 -0.78 0.90 115.31 117.61 1x4j h LEU 57 Ca -0.12 0.08 -0.05 0.00 0.09 0.00 0.00 57.88 57.88 1x4j h LEU 57 Cb 0.94 0.06 -0.04 0.00 0.09 0.00 0.00 40.66 41.71 1x4j h LEU 57 CO 0.20 -0.05 0.32 0.11 0.09 0.00 0.00 178.44 179.11 1x4j h LYS 58 N 0.16 1.19 0.06 1.13 1.57 -1.26 -3.22 116.57 116.20 1x4j h LYS 58 Ca 0.72 -0.22 -0.14 0.00 -1.87 0.00 0.00 60.65 59.14 1x4j h LYS 58 Cb 2.30 -0.19 -0.00 0.00 0.08 0.00 0.00 32.23 34.42 1x4j h LYS 58 CO -0.27 0.97 -0.67 0.00 -0.57 0.00 0.00 179.45 178.90 1x4j h ALA 59 N 1.17 0.05 -3.37 3.86 0.00 0.77 -3.46 119.26 118.28 1x4j h ALA 59 Ca 0.27 -0.77 -0.51 0.00 0.00 0.00 0.00 54.91 53.90 1x4j h ALA 59 Cb 0.22 0.23 -0.34 0.00 0.00 0.00 0.00 17.79 17.90 1x4j h ALA 59 CO -0.02 0.36 -0.81 -0.80 0.00 0.00 0.00 179.25 177.98 1x4j s ASN 60 N -6.67 1.78 -0.07 0.00 0.01 0.94 -5.01 114.94 105.92 1x4j s ASN 60 Ca -0.19 -0.28 0.00 0.00 -0.71 0.00 0.00 52.86 51.68 1x4j s ASN 60 Cb 0.01 -0.79 0.07 0.00 0.41 0.00 0.00 41.25 40.94 1x4j s ASN 60 CO 0.73 -0.01 1.60 0.54 -1.51 0.00 0.00 177.10 178.45 1x4j n ARG 61 N 4.09 1.18 -4.37 -0.60 5.12 -1.24 -3.60 116.66 117.24 1x4j n ARG 61 Ca -0.21 -0.38 -0.20 0.00 -1.93 0.00 0.00 57.85 55.14 1x4j n ARG 61 Cb 0.51 -1.15 -0.09 0.00 -1.16 0.00 0.00 32.46 30.57 1x4j n ARG 61 CO 0.00 0.00 0.00 0.95 -1.93 0.00 0.00 177.63 176.65 1x4j s THR 62 N -0.49 0.45 -0.16 0.55 -4.23 -1.26 -2.82 115.64 107.68 1x4j s THR 62 Ca 0.07 -2.00 -0.21 0.00 -1.18 0.00 0.00 61.69 58.38 1x4j s THR 62 Cb 0.06 -2.51 -0.03 0.00 1.34 0.00 0.00 72.50 71.36 1x4j s THR 62 CO 0.01 0.00 0.61 0.00 -0.54 0.00 0.00 174.62 174.70 1x4j n PRO 64 N 4.54 0.49 0.02 0.00 -0.04 -1.26 0.63 135.00 139.38 1x4j n PRO 64 Ca -0.02 0.00 -0.02 0.00 -0.04 0.00 0.00 63.50 63.42 1x4j n PRO 64 Cb 0.50 -1.03 -0.01 0.00 -0.04 0.00 0.00 33.50 32.93 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 -0.53 0.98 -1.08 0.52 5.41 -1.26 -4.82 119.36 118.59 1x4j n ILE 65 Ca 0.01 0.27 0.08 0.00 1.00 0.00 0.00 62.75 64.11 1x4j n ILE 65 Cb 0.00 -1.64 0.22 0.00 -0.71 0.00 0.00 39.64 37.51 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 -0.88 -2.12 -2.67 0.00 3.00 0.20 -4.81 116.66 109.39 1x4j n ARG 67 Ca 0.21 0.00 -0.42 0.00 -0.01 0.00 0.00 57.85 57.63 1x4j n ARG 67 Cb 0.82 -3.94 -0.03 0.00 0.00 0.00 0.00 32.46 29.31 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 3.20 -0.07 7.54 0.00 -1.26 -4.44 121.76 125.24 1x4j s ALA 68 Ca 0.00 0.59 -0.36 0.00 0.00 0.00 0.00 51.96 52.19 1x4j s ALA 68 Cb 0.00 -3.35 -0.13 0.00 0.00 0.00 0.00 23.12 19.63 1x4j s ALA 68 CO 0.00 -0.25 1.75 -3.47 0.00 0.00 0.00 175.76 173.79 1x4j n ASP 69 N 3.85 2.98 -1.94 0.00 2.03 -1.26 -1.63 116.55 120.57 1x4j n ASP 69 Ca 0.06 1.03 -0.13 0.00 0.52 0.00 0.00 54.79 56.27 1x4j n ASP 69 Cb 0.50 -1.31 -0.06 0.00 -0.72 0.00 0.00 41.12 39.53 1x4j n ASP 69 CO 0.00 0.00 0.00 -1.20 -1.92 0.00 0.00 177.20 174.08 1x4j n SER 70 N 5.41 5.75 0.00 1.67 7.64 -1.13 -4.92 113.62 128.05 1x4j n SER 70 Ca 0.22 -2.72 0.00 0.00 1.01 0.00 0.00 58.87 57.38 1x4j n SER 70 Cb 0.25 -1.24 0.00 0.00 -1.01 0.00 0.00 64.21 62.21 1x4j n SER 70 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1x4j n GLY 71 N 1.49 -0.12 3.37 0.23 0.00 -1.26 -4.88 105.19 104.03 1x4j n GLY 71 Ca 0.30 -1.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.04 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 -3.08 -2.99 1.61 -0.04 -1.26 -4.96 135.00 124.27 1x4j n PRO 72 Ca 0.00 -1.68 -0.44 0.00 -0.04 0.00 0.00 63.50 61.34 1x4j n PRO 72 Cb 0.00 -1.58 -0.04 0.00 -0.04 0.00 0.00 33.50 31.84 1x4j n PRO 72 CO 0.00 0.00 0.00 -1.12 -0.04 0.00 0.00 175.50 174.34 1x4j s SER 73 N -4.34 6.29 -0.11 3.54 0.01 -1.26 -5.01 113.70 112.82 1x4j s SER 73 Ca 0.68 -1.44 0.02 0.00 1.31 0.00 0.00 55.95 56.52 1x4j s SER 73 Cb -0.07 -2.36 0.01 0.00 0.21 0.00 0.00 66.02 63.82 1x4j s SER 73 CO 0.52 -1.20 -0.17 -0.44 0.41 0.00 0.00 173.24 172.36 1x4j s SER 74 N 3.59 2.61 0.00 2.44 0.01 -1.26 -5.25 113.70 115.83 1x4j s SER 74 Ca 0.20 -0.47 0.00 0.00 1.31 0.00 0.00 55.95 56.98 1x4j s SER 74 Cb -0.17 -1.18 0.00 0.00 0.21 0.00 0.00 66.02 64.88 1x4j s SER 74 CO 0.04 0.04 0.00 0.61 0.41 0.00 0.00 173.24 174.34