#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 4.09 0.07 1.61 0.15 -1.26 -5.10 113.70 113.27 1x4j s SER 2 Ca 0.00 -1.13 -0.15 0.00 0.70 0.00 0.00 55.95 55.37 1x4j s SER 2 Cb 0.00 -1.55 0.03 0.00 -1.71 0.00 0.00 66.02 62.79 1x4j s SER 2 CO 0.00 -0.13 0.35 -0.44 1.20 0.00 0.00 173.24 174.22 1x4j s SER 3 N 1.19 -0.18 -0.46 5.45 0.01 -1.26 -5.10 113.70 113.35 1x4j s SER 3 Ca -0.04 -0.22 0.06 0.00 1.31 0.00 0.00 55.95 57.06 1x4j s SER 3 Cb -0.18 0.41 0.30 0.00 0.21 0.00 0.00 66.02 66.76 1x4j s SER 3 CO -0.07 -0.71 1.08 0.61 0.41 0.00 0.00 173.24 174.56 1x4j n GLY 4 N 0.25 0.32 3.68 3.44 0.00 -1.26 -5.12 105.19 106.49 1x4j n GLY 4 Ca -0.17 0.11 -0.43 0.00 0.00 0.00 0.00 46.02 45.53 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 -1.30 7.05 -0.36 1.61 0.01 -1.26 -5.00 113.70 114.45 1x4j s SER 5 Ca 0.24 1.70 -0.20 0.00 1.31 0.00 0.00 55.95 59.01 1x4j s SER 5 Cb 0.27 -2.55 0.00 0.00 0.21 0.00 0.00 66.02 63.96 1x4j s SER 5 CO -0.11 -0.63 0.59 -0.44 0.41 0.00 0.00 173.24 173.06 1x4j s SER 6 N 1.56 6.38 0.00 2.44 0.01 -1.26 -4.11 113.70 118.72 1x4j s SER 6 Ca 0.53 0.07 0.00 0.00 1.31 0.00 0.00 55.95 57.86 1x4j s SER 6 Cb -0.22 -2.30 0.00 0.00 0.21 0.00 0.00 66.02 63.71 1x4j s SER 6 CO 0.18 -0.56 0.00 0.61 0.41 0.00 0.00 173.24 173.88 1x4j n GLY 7 N 4.72 3.13 3.30 3.44 0.00 -1.26 -5.03 105.19 113.49 1x4j n GLY 7 Ca -0.03 -1.10 -0.45 0.00 0.00 0.00 0.00 46.02 44.44 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 3.11 0.75 1.61 -0.21 -1.26 -5.06 119.66 118.60 1x4j s GLN 8 Ca 0.00 -1.99 -0.16 0.00 0.02 0.00 0.00 55.36 53.23 1x4j s GLN 8 Cb 0.00 -4.28 -0.01 0.00 1.00 0.00 0.00 33.01 29.72 1x4j s GLN 8 CO 0.00 -1.30 0.65 1.28 -2.12 0.00 0.00 175.29 173.80 1x4j n LEU 9 N 4.73 1.49 -4.74 2.90 4.77 -1.26 -4.81 117.00 120.08 1x4j n LEU 9 Ca -0.04 0.58 -0.41 0.00 -0.03 0.00 0.00 56.01 56.11 1x4j n LEU 9 Cb 0.42 -1.27 -0.03 0.00 -2.33 0.00 0.00 43.42 40.21 1x4j n LEU 9 CO 0.45 -2.86 0.98 -2.16 -1.33 0.00 0.00 177.39 172.47 1x4j s PRO 10 N -3.04 4.40 -0.10 3.23 0.04 -1.26 -5.01 135.00 133.26 1x4j s PRO 10 Ca 0.67 2.04 -0.20 0.00 0.04 0.00 0.00 61.00 63.55 1x4j s PRO 10 Cb -0.33 -3.19 -0.04 0.00 0.04 0.00 0.00 34.50 30.98 1x4j s PRO 10 CO 0.57 -0.23 0.55 -1.54 0.04 0.00 0.00 177.00 176.39 1x4j s SER 11 N 0.28 6.79 0.04 6.66 1.04 -1.26 -4.71 113.70 122.54 1x4j s SER 11 Ca 0.56 0.95 -0.26 0.00 0.48 0.00 0.00 55.95 57.67 1x4j s SER 11 Cb -0.36 -2.33 0.06 0.00 0.10 0.00 0.00 66.02 63.49 1x4j s SER 11 CO 0.39 -0.04 0.61 -0.72 0.98 0.00 0.00 173.24 174.46 1x4j s TYR 12 N 0.66 -0.56 -0.20 5.02 1.13 -1.26 -5.08 117.35 117.06 1x4j s TYR 12 Ca 0.30 0.71 -0.07 0.00 -1.41 0.00 0.00 57.07 56.59 1x4j s TYR 12 Cb -0.16 0.43 -0.04 0.00 -1.10 0.00 0.00 41.96 41.10 1x4j s TYR 12 CO 0.13 -0.69 0.06 0.50 -2.51 0.00 0.00 175.55 173.04 1x4j s ARG 13 N -2.30 3.85 0.36 -3.49 3.52 -1.26 -2.54 118.95 117.08 1x4j s ARG 13 Ca -0.06 -0.40 -0.25 0.00 -0.13 0.00 0.00 55.73 54.89 1x4j s ARG 13 Cb -0.01 -3.22 -0.13 0.00 -1.56 0.00 0.00 34.95 30.03 1x4j s ARG 13 CO -0.00 0.13 0.69 0.34 -0.81 0.00 0.00 175.30 175.65 1x4j n PHE 14 N 3.95 0.07 -3.74 5.12 -0.00 -0.65 -4.83 117.46 117.38 1x4j n PHE 14 Ca -0.16 0.68 -0.22 0.00 -0.00 0.00 0.00 57.45 57.74 1x4j n PHE 14 Cb 0.52 -2.07 -0.18 0.00 -0.00 0.00 0.00 39.48 37.76 1x4j n PHE 14 CO 0.00 0.00 0.00 0.54 -0.00 0.00 0.00 176.76 177.30 1x4j s ASN 15 N -0.84 1.53 0.00 -2.13 2.20 -1.26 -3.25 114.94 111.19 1x4j s ASN 15 Ca 0.62 -0.08 0.08 0.00 -0.94 0.00 0.00 52.86 52.54 1x4j s ASN 15 Cb -0.67 -0.37 0.47 0.00 -2.00 0.00 0.00 41.25 38.68 1x4j s ASN 15 CO 0.58 -0.21 0.92 -0.81 -2.94 0.00 0.00 177.10 174.64 1x4j n PRO 16 N 5.18 0.49 -0.12 3.55 -0.04 -1.26 -3.15 135.00 139.66 1x4j n PRO 16 Ca -0.06 0.00 -0.21 0.00 -0.04 0.00 0.00 63.50 63.19 1x4j n PRO 16 Cb 0.50 -1.25 -0.07 0.00 -0.04 0.00 0.00 33.50 32.64 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 -0.75 1.90 -3.84 3.54 3.02 -1.26 -5.02 115.26 112.85 1x4j n ASN 17 Ca 0.06 0.33 -0.14 0.00 -0.03 0.00 0.00 54.58 54.80 1x4j n ASN 17 Cb 0.03 -0.77 -0.15 0.00 -0.61 0.00 0.00 39.78 38.28 1x4j n ASN 17 CO 0.00 0.00 0.00 0.20 -2.62 0.00 0.00 177.26 174.84 1x4j s ASN 18 N -6.81 0.15 0.29 6.41 -0.87 -1.19 -5.16 114.94 107.76 1x4j s ASN 18 Ca -0.34 -0.00 0.04 0.00 -1.57 0.00 0.00 52.86 50.98 1x4j s ASN 18 Cb 0.10 -0.06 -0.04 0.00 -0.02 0.00 0.00 41.25 41.23 1x4j s ASN 18 CO 0.45 -0.05 0.19 -2.28 -2.57 0.00 0.00 177.10 172.85 1x4j s HIS 19 N 0.47 1.54 0.04 2.20 2.46 -1.26 -4.42 115.29 116.32 1x4j s HIS 19 Ca -0.04 -1.48 -0.24 0.00 0.47 0.00 0.00 55.06 53.78 1x4j s HIS 19 Cb -0.06 -0.74 -0.13 0.00 -0.13 0.00 0.00 32.58 31.52 1x4j s HIS 19 CO -0.01 -0.67 1.32 0.37 -2.47 0.00 0.00 174.74 173.28 1x4j h GLN 20 N 2.28 -0.82 -6.05 2.88 4.15 -1.97 -3.46 115.11 112.13 1x4j h GLN 20 Ca -0.31 0.06 -0.57 0.00 0.77 0.00 0.00 58.65 58.60 1x4j h GLN 20 Cb 1.24 0.19 -0.04 0.00 0.21 0.00 0.00 27.48 29.08 1x4j h GLN 20 CO 0.47 -0.54 -0.27 0.45 -1.93 0.00 0.00 178.83 177.00 1x4j s SER 21 N -3.32 4.71 0.28 -0.69 0.15 -1.26 -5.03 113.70 108.54 1x4j s SER 21 Ca -0.12 -1.17 0.18 0.00 0.70 0.00 0.00 55.95 55.54 1x4j s SER 21 Cb 0.01 0.37 0.10 0.00 -1.71 0.00 0.00 66.02 64.79 1x4j s SER 21 CO 0.37 -1.13 1.35 1.05 1.20 0.00 0.00 173.24 176.09 1x4j h GLU 22 N 0.67 0.00 -5.12 5.44 4.11 -2.04 -3.44 114.58 114.21 1x4j h GLU 22 Ca -0.36 0.00 -0.65 0.00 0.07 0.00 0.00 59.36 58.42 1x4j h GLU 22 Cb 1.30 0.00 -0.25 0.00 0.50 0.00 0.00 28.75 30.30 1x4j h GLU 22 CO 0.55 0.27 -0.69 1.14 0.07 0.00 0.00 179.01 180.34 1x4j s GLN 23 N -3.08 3.53 -0.32 1.06 1.03 -1.26 -5.07 119.66 115.55 1x4j s GLN 23 Ca 0.03 -0.57 0.02 0.00 0.04 0.00 0.00 55.36 54.88 1x4j s GLN 23 Cb 0.07 -3.00 0.10 0.00 0.03 0.00 0.00 33.01 30.21 1x4j s GLN 23 CO 0.74 -0.01 0.06 0.95 -2.54 0.00 0.00 175.29 174.49 1x4j s THR 24 N 1.02 1.62 -0.01 3.63 -4.23 -1.26 -4.94 115.64 111.46 1x4j s THR 24 Ca 0.01 -1.84 -0.04 0.00 -1.18 0.00 0.00 61.69 58.63 1x4j s THR 24 Cb -0.15 -2.17 0.00 0.00 1.34 0.00 0.00 72.50 71.52 1x4j s THR 24 CO 0.01 -0.58 0.09 -0.22 -0.54 0.00 0.00 174.62 173.38 1x4j s LEU 25 N 1.25 1.69 -0.64 4.79 0.20 -1.26 -4.27 118.68 120.43 1x4j s LEU 25 Ca 0.09 -0.08 -0.18 0.00 0.69 0.00 0.00 54.13 54.65 1x4j s LEU 25 Cb -0.18 0.44 0.12 0.00 -0.43 0.00 0.00 46.19 46.14 1x4j s LEU 25 CO -0.15 -0.22 0.73 0.00 -0.29 0.00 0.00 176.35 176.42 1x4j h VAL 27 N 5.79 0.70 0.38 0.00 3.04 -1.87 2.05 116.25 126.34 1x4j h VAL 27 Ca -0.21 -0.10 -0.01 0.00 -1.01 0.00 0.00 66.70 65.37 1x4j h VAL 27 Cb 1.08 0.40 -0.01 0.00 -2.01 0.00 0.00 31.29 30.75 1x4j h VAL 27 CO 1.06 0.05 -0.28 0.58 -1.01 0.00 0.00 177.57 177.97 1x4j h VAL 28 N 0.28 0.00 -0.56 1.51 2.07 -1.90 -3.18 116.25 114.47 1x4j h VAL 28 Ca 0.40 0.00 -0.18 0.00 0.82 0.00 0.00 66.70 67.74 1x4j h VAL 28 Cb 1.13 0.00 -0.10 0.00 -1.52 0.00 0.00 31.29 30.79 1x4j h VAL 28 CO -0.10 0.00 0.16 0.00 0.02 0.00 0.00 177.57 177.64 1x4j n MET 30 N -0.49 -0.90 -4.48 0.00 0.00 0.69 -4.87 117.12 107.07 1x4j n MET 30 Ca 0.36 0.07 -0.22 0.00 0.00 0.00 0.00 57.70 57.91 1x4j n MET 30 Cb 1.22 -2.47 -0.16 0.00 0.00 0.00 0.00 33.22 31.81 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 0.35 6.86 0.60 0.00 -4.77 -1.26 -1.56 116.67 116.89 1x4j s ASP 32 Ca -0.07 2.27 -0.19 0.00 -3.30 0.00 0.00 52.55 51.26 1x4j s ASP 32 Cb -0.11 -2.58 -0.03 0.00 -1.09 0.00 0.00 42.92 39.10 1x4j s ASP 32 CO 0.01 -0.64 1.24 0.49 0.70 0.00 0.00 175.17 176.98 1x4j n PHE 33 N 4.06 1.82 -4.02 2.11 3.72 -1.26 -4.94 117.46 118.95 1x4j n PHE 33 Ca 0.11 0.43 -0.22 0.00 -0.05 0.00 0.00 57.45 57.73 1x4j n PHE 33 Cb 0.43 -2.27 -0.04 0.00 -0.94 0.00 0.00 39.48 36.65 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 -3.06 2.84 0.71 -1.08 -6.30 -1.26 -5.06 118.70 105.48 1x4j s GLU 34 Ca 0.77 -1.14 -0.15 0.00 -2.50 0.00 0.00 54.97 51.95 1x4j s GLU 34 Cb -0.40 -2.52 0.03 0.00 0.00 0.00 0.00 34.13 31.23 1x4j s GLU 34 CO 0.45 0.30 1.15 0.45 0.02 0.00 0.00 175.26 177.63 1x4j s SER 35 N -3.89 4.58 -1.14 -1.70 0.15 -1.26 -3.71 113.70 106.74 1x4j s SER 35 Ca 0.35 2.16 -0.00 0.00 0.70 0.00 0.00 55.95 59.16 1x4j s SER 35 Cb -0.07 -2.57 0.00 0.00 -1.71 0.00 0.00 66.02 61.67 1x4j s SER 35 CO 0.25 -1.99 0.95 0.54 1.20 0.00 0.00 173.24 174.19 1x4j n ARG 36 N -2.66 -6.31 -3.72 5.44 1.74 -1.20 -4.96 116.66 104.98 1x4j n ARG 36 Ca 0.12 0.80 -0.12 0.00 -0.77 0.00 0.00 57.85 57.88 1x4j n ARG 36 Cb 0.51 -5.68 -0.12 0.00 -1.02 0.00 0.00 32.46 26.14 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 -5.32 0.26 0.02 5.56 -0.21 -1.24 -4.96 119.66 113.76 1x4j s GLN 37 Ca 0.02 0.58 -0.30 0.00 0.02 0.00 0.00 55.36 55.68 1x4j s GLN 37 Cb -0.01 -0.08 -0.06 0.00 1.00 0.00 0.00 33.01 33.86 1x4j s GLN 37 CO 0.69 -0.15 1.39 -1.17 -2.12 0.00 0.00 175.29 173.93 1x4j s LEU 38 N 1.22 4.33 0.14 2.90 1.98 -1.26 -1.64 118.68 126.35 1x4j s LEU 38 Ca -0.09 2.14 0.10 0.00 -2.89 0.00 0.00 54.13 53.39 1x4j s LEU 38 Cb -0.09 -3.57 -0.04 0.00 0.66 0.00 0.00 46.19 43.15 1x4j s LEU 38 CO -0.09 -0.70 -0.22 -0.76 -1.89 0.00 0.00 176.35 172.69 1x4j s LEU 39 N 2.12 2.37 -0.20 -0.68 1.43 -1.05 -3.04 118.68 119.63 1x4j s LEU 39 Ca 0.64 -0.78 -0.03 0.00 -1.03 0.00 0.00 54.13 52.93 1x4j s LEU 39 Cb -0.32 -1.00 -0.01 0.00 0.03 0.00 0.00 46.19 44.89 1x4j s LEU 39 CO 0.27 0.07 -0.08 -0.13 0.23 0.00 0.00 176.35 176.72 1x4j s ARG 40 N -2.32 3.35 -0.20 1.70 1.81 -0.06 -4.38 118.95 118.84 1x4j s ARG 40 Ca 0.13 -0.65 -0.13 0.00 -1.72 0.00 0.00 55.73 53.35 1x4j s ARG 40 Cb -0.08 -2.89 -0.04 0.00 -0.45 0.00 0.00 34.95 31.48 1x4j s ARG 40 CO 0.06 -0.11 0.28 0.08 -0.68 0.00 0.00 175.30 174.94 1x4j s VAL 41 N 1.21 5.29 0.69 3.52 1.01 -1.26 -1.22 120.40 129.65 1x4j s VAL 41 Ca 0.02 0.48 -0.12 0.00 0.00 0.00 0.00 61.98 62.36 1x4j s VAL 41 Cb -0.14 -3.62 0.01 0.00 0.00 0.00 0.00 36.38 32.63 1x4j s VAL 41 CO -0.03 0.33 1.07 -0.76 0.00 0.00 0.00 175.10 175.72 1x4j s LEU 42 N 0.92 3.20 0.00 3.92 1.43 0.14 -4.86 118.68 123.43 1x4j s LEU 42 Ca 0.14 1.76 0.06 0.00 -1.03 0.00 0.00 54.13 55.06 1x4j s LEU 42 Cb -0.14 -4.52 0.35 0.00 0.03 0.00 0.00 46.19 41.92 1x4j s LEU 42 CO 0.05 -1.58 0.81 -0.81 0.23 0.00 0.00 176.35 175.05 1x4j n PRO 43 N -2.95 0.49 -0.24 1.29 -0.04 -1.26 -1.99 135.00 130.30 1x4j n PRO 43 Ca 0.08 0.00 0.06 0.00 -0.04 0.00 0.00 63.50 63.61 1x4j n PRO 43 Cb 0.53 -1.19 0.18 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 0.36 -2.65 -3.83 0.00 3.02 -0.84 -5.07 115.26 106.25 1x4j n ASN 45 Ca 0.14 -0.21 -0.13 0.00 -0.03 0.00 0.00 54.58 54.35 1x4j n ASN 45 Cb 0.53 -1.99 -0.15 0.00 -0.61 0.00 0.00 39.78 37.56 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 -3.12 0.00 0.10 3.10 3.76 -1.24 -4.97 115.29 112.93 1x4j s HIS 46 Ca 0.06 0.06 -0.11 0.00 -0.15 0.00 0.00 55.06 54.93 1x4j s HIS 46 Cb -0.01 -0.08 -0.06 0.00 1.11 0.00 0.00 32.58 33.54 1x4j s HIS 46 CO 0.24 -0.04 0.44 -1.21 -0.85 0.00 0.00 174.74 173.32 1x4j s GLU 47 N 0.40 3.82 0.23 1.40 2.02 -1.26 0.27 118.70 125.56 1x4j s GLU 47 Ca -0.03 0.26 -0.12 0.00 0.02 0.00 0.00 54.97 55.10 1x4j s GLU 47 Cb -0.05 -2.97 -0.01 0.00 0.10 0.00 0.00 34.13 31.21 1x4j s GLU 47 CO -0.01 0.53 0.42 -0.06 0.02 0.00 0.00 175.26 176.16 1x4j s PHE 48 N -1.43 0.40 -0.23 1.61 0.08 -0.36 -4.65 117.98 113.40 1x4j s PHE 48 Ca 0.35 -0.75 -0.25 0.00 0.12 0.00 0.00 56.93 56.40 1x4j s PHE 48 Cb -0.14 0.10 -0.01 0.00 -0.57 0.00 0.00 43.02 42.40 1x4j s PHE 48 CO 0.19 -0.91 0.83 -1.01 -0.10 0.00 0.00 175.22 174.22 1x4j s HIS 49 N -4.01 3.34 0.52 0.36 3.76 -1.26 -0.89 115.29 117.11 1x4j s HIS 49 Ca 0.22 1.17 0.47 0.00 -0.15 0.00 0.00 55.06 56.76 1x4j s HIS 49 Cb 0.01 -3.05 1.66 0.00 1.11 0.00 0.00 32.58 32.31 1x4j s HIS 49 CO 0.07 -0.37 1.52 0.00 -0.85 0.00 0.00 174.74 175.11 1x4j n ALA 50 N 5.84 1.77 -0.08 -1.40 0.00 -1.17 -0.01 120.51 125.47 1x4j n ALA 50 Ca 0.05 0.67 -0.14 0.00 0.00 0.00 0.00 53.44 54.03 1x4j n ALA 50 Cb 0.48 -1.10 -0.09 0.00 0.00 0.00 0.00 19.45 18.74 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 0.00 0.06 0.00 2.10 -1.91 -3.31 116.57 113.52 1x4j h LYS 51 Ca 0.91 0.00 -0.00 0.00 -2.00 0.00 0.00 60.65 59.56 1x4j h LYS 51 Cb 3.55 0.00 -0.00 0.00 -0.90 0.00 0.00 32.23 34.88 1x4j h LYS 51 CO -0.08 0.70 -0.07 0.00 -2.00 0.00 0.00 179.45 178.00 1x4j h VAL 53 N -0.14 0.10 -0.32 0.00 3.04 -1.24 1.32 116.25 119.01 1x4j h VAL 53 Ca -0.01 0.00 -0.18 0.00 -1.01 0.00 0.00 66.70 65.51 1x4j h VAL 53 Cb 0.12 0.13 -0.00 0.00 -2.01 0.00 0.00 31.29 29.53 1x4j h VAL 53 CO -0.01 0.00 -0.48 -0.78 -1.01 0.00 0.00 177.57 175.28 1x4j h ASP 54 N 0.00 0.98 0.41 3.17 3.58 -1.37 -1.94 116.42 121.25 1x4j h ASP 54 Ca 0.61 -0.51 -0.20 0.00 0.42 0.00 0.00 57.03 57.36 1x4j h ASP 54 Cb 2.91 -0.28 -0.01 0.00 1.72 0.00 0.00 39.33 43.67 1x4j h ASP 54 CO -0.01 1.30 -0.84 0.50 -2.88 0.00 0.00 179.24 177.32 1x4j h LYS 55 N 0.70 0.31 0.44 0.28 3.64 0.22 -3.16 116.57 119.00 1x4j h LYS 55 Ca 0.03 -0.30 -0.02 0.00 -1.27 0.00 0.00 60.65 59.09 1x4j h LYS 55 Cb 1.09 0.08 0.00 0.00 -0.41 0.00 0.00 32.23 32.99 1x4j h LYS 55 CO 0.11 0.99 -0.21 2.35 -2.27 0.00 0.00 179.45 180.41 1x4j h TRP 56 N 0.19 -0.55 -0.97 1.91 2.91 -1.23 -3.09 115.95 115.12 1x4j h TRP 56 Ca -0.05 -0.01 0.32 0.00 1.13 0.00 0.00 58.89 60.28 1x4j h TRP 56 Cb 1.44 0.18 -0.16 0.00 -0.51 0.00 0.00 29.16 30.11 1x4j h TRP 56 CO 0.04 -0.34 0.36 -0.07 -1.03 0.00 0.00 178.44 177.40 1x4j h LEU 57 N -0.84 0.12 -0.73 0.65 3.38 -1.40 0.78 115.31 117.28 1x4j h LEU 57 Ca -0.06 0.23 0.09 0.00 0.09 0.00 0.00 57.88 58.23 1x4j h LEU 57 Cb 0.45 0.28 -0.07 0.00 0.09 0.00 0.00 40.66 41.41 1x4j h LEU 57 CO 0.10 -0.27 0.37 0.11 0.09 0.00 0.00 178.44 178.84 1x4j h LYS 58 N 0.14 0.61 0.05 1.13 1.57 -1.55 -2.83 116.57 115.68 1x4j h LYS 58 Ca 0.69 -0.04 -0.08 0.00 -1.87 0.00 0.00 60.65 59.35 1x4j h LYS 58 Cb 1.60 -0.14 0.01 0.00 0.08 0.00 0.00 32.23 33.79 1x4j h LYS 58 CO -0.73 0.40 -0.36 0.00 -0.57 0.00 0.00 179.45 178.19 1x4j h ALA 59 N 1.44 -0.02 -3.29 3.86 0.00 0.45 -3.45 119.26 118.25 1x4j h ALA 59 Ca 0.36 -0.56 -0.43 0.00 0.00 0.00 0.00 54.91 54.28 1x4j h ALA 59 Cb 0.37 0.04 -0.37 0.00 0.00 0.00 0.00 17.79 17.83 1x4j h ALA 59 CO -0.27 0.16 -0.77 -0.80 0.00 0.00 0.00 179.25 177.58 1x4j s ASN 60 N -6.51 1.43 -0.09 0.00 0.01 0.87 -5.03 114.94 105.63 1x4j s ASN 60 Ca -0.16 -0.08 -0.05 0.00 -0.71 0.00 0.00 52.86 51.86 1x4j s ASN 60 Cb -0.00 -0.42 -0.20 0.00 0.41 0.00 0.00 41.25 41.03 1x4j s ASN 60 CO 0.76 -0.17 2.95 -2.11 -1.51 0.00 0.00 177.10 177.01 1x4j n ARG 61 N 4.97 1.67 -4.12 -0.60 1.85 -1.18 -3.57 116.66 115.67 1x4j n ARG 61 Ca -0.10 -0.86 -0.13 0.00 -1.00 0.00 0.00 57.85 55.75 1x4j n ARG 61 Cb 0.50 -1.94 -0.06 0.00 -1.05 0.00 0.00 32.46 29.90 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 1.51 0.00 -0.14 8.89 -4.23 -1.26 -3.78 115.64 116.63 1x4j s THR 62 Ca 0.53 -1.70 -0.23 0.00 -1.18 0.00 0.00 61.69 59.10 1x4j s THR 62 Cb 0.25 -2.49 -0.03 0.00 1.34 0.00 0.00 72.50 71.57 1x4j s THR 62 CO -0.00 0.00 0.73 0.00 -0.54 0.00 0.00 174.62 174.81 1x4j n PRO 64 N 4.66 0.49 0.00 0.00 -0.04 -1.26 -0.51 135.00 138.34 1x4j n PRO 64 Ca 0.01 0.00 -0.00 0.00 -0.04 0.00 0.00 63.50 63.47 1x4j n PRO 64 Cb 0.50 -1.01 -0.00 0.00 -0.04 0.00 0.00 33.50 32.95 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 -0.51 0.03 -1.00 0.52 5.41 -1.26 -4.82 119.36 117.72 1x4j n ILE 65 Ca 0.00 0.05 0.00 0.00 1.00 0.00 0.00 62.75 63.80 1x4j n ILE 65 Cb 0.00 -1.06 0.34 0.00 -0.71 0.00 0.00 39.64 38.22 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 0.08 -2.20 -2.57 0.00 1.85 0.34 -4.78 116.66 109.38 1x4j n ARG 67 Ca 0.34 0.00 -0.42 0.00 -1.00 0.00 0.00 57.85 56.77 1x4j n ARG 67 Cb 1.28 -3.80 -0.02 0.00 -1.05 0.00 0.00 32.46 28.86 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 -1.49 2.98 -0.41 2.89 0.00 -1.26 -4.50 121.76 119.97 1x4j s ALA 68 Ca 0.00 -0.84 -0.41 0.00 0.00 0.00 0.00 51.96 50.71 1x4j s ALA 68 Cb 0.00 -4.05 -0.16 0.00 0.00 0.00 0.00 23.12 18.91 1x4j s ALA 68 CO 0.00 -2.70 2.04 -3.47 0.00 0.00 0.00 175.76 171.63 1x4j n ASP 69 N 8.54 1.57 -0.03 0.00 2.03 -1.26 -3.03 116.55 124.37 1x4j n ASP 69 Ca 0.08 0.70 -0.09 0.00 0.52 0.00 0.00 54.79 56.01 1x4j n ASP 69 Cb 0.49 -1.07 -0.03 0.00 -0.72 0.00 0.00 41.12 39.79 1x4j n ASP 69 CO 0.00 0.00 0.00 -1.28 -1.92 0.00 0.00 177.20 174.00 1x4j h SER 70 N 9.51 -0.26 0.00 1.67 0.87 -1.88 -3.48 113.55 119.98 1x4j h SER 70 Ca -0.26 0.07 0.00 0.00 -1.23 0.00 0.00 61.79 60.37 1x4j h SER 70 Cb 1.36 0.15 0.00 0.00 -0.44 0.00 0.00 62.40 63.47 1x4j h SER 70 CO 1.03 -0.10 0.00 0.61 -0.53 0.00 0.00 176.83 177.84 1x4j n GLY 71 N -1.22 1.29 3.62 5.77 0.00 -1.26 -4.88 105.19 108.50 1x4j n GLY 71 Ca -0.02 -0.62 -0.30 0.00 0.00 0.00 0.00 46.02 45.08 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 -0.03 -0.75 -0.15 1.61 0.04 -1.26 -4.93 135.00 129.52 1x4j s PRO 72 Ca 0.00 0.10 0.00 0.00 0.04 0.00 0.00 61.00 61.14 1x4j s PRO 72 Cb 0.00 -1.64 0.03 0.00 0.04 0.00 0.00 34.50 32.93 1x4j s PRO 72 CO 0.00 -3.43 -0.10 -1.54 0.04 0.00 0.00 177.00 171.96 1x4j s SER 73 N -3.77 2.65 -0.57 6.66 1.04 -1.26 -5.09 113.70 113.37 1x4j s SER 73 Ca 0.69 -0.51 -0.08 0.00 0.48 0.00 0.00 55.95 56.53 1x4j s SER 73 Cb -0.12 -1.05 0.15 0.00 0.10 0.00 0.00 66.02 65.09 1x4j s SER 73 CO 0.56 -0.10 0.43 -0.94 0.98 0.00 0.00 173.24 174.17 1x4j s SER 74 N 1.56 5.74 0.00 7.02 1.04 -1.26 -5.25 113.70 122.55 1x4j s SER 74 Ca 0.04 -2.29 0.09 0.00 0.48 0.00 0.00 55.95 54.27 1x4j s SER 74 Cb -0.13 -2.00 0.55 0.00 0.10 0.00 0.00 66.02 64.54 1x4j s SER 74 CO -0.09 -0.58 1.00 0.61 0.98 0.00 0.00 173.24 175.15