#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 5.62 -3.17 1.61 7.64 -1.26 -4.61 113.62 119.45 1x4j n SER 2 Ca 0.00 -2.59 0.05 0.00 1.01 0.00 0.00 58.87 57.33 1x4j n SER 2 Cb 0.00 -1.17 -0.02 0.00 -1.01 0.00 0.00 64.21 62.02 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 1.55 -0.59 0.00 6.43 0.15 -1.26 -5.15 113.70 114.83 1x4j s SER 3 Ca 0.20 0.41 0.00 0.00 0.70 0.00 0.00 55.95 57.26 1x4j s SER 3 Cb 0.12 1.51 0.00 0.00 -1.71 0.00 0.00 66.02 65.94 1x4j s SER 3 CO -0.01 -0.11 0.00 0.61 1.20 0.00 0.00 173.24 174.93 1x4j n GLY 4 N 5.41 0.32 3.89 9.45 0.00 -1.26 -5.04 105.19 117.96 1x4j n GLY 4 Ca -0.06 -1.45 -0.32 0.00 0.00 0.00 0.00 46.02 44.19 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 -0.77 6.52 0.32 1.61 0.15 -1.26 -4.97 113.70 115.29 1x4j s SER 5 Ca 0.00 0.66 0.07 0.00 0.70 0.00 0.00 55.95 57.37 1x4j s SER 5 Cb 0.00 -2.12 0.89 0.00 -1.71 0.00 0.00 66.02 63.08 1x4j s SER 5 CO 0.00 0.03 1.61 -1.28 1.20 0.00 0.00 173.24 174.80 1x4j h SER 6 N 2.78 -0.05 0.00 5.45 0.87 -1.97 -3.45 113.55 117.18 1x4j h SER 6 Ca -0.46 0.24 0.00 0.00 -1.23 0.00 0.00 61.79 60.34 1x4j h SER 6 Cb 1.17 0.33 0.00 0.00 -0.44 0.00 0.00 62.40 63.45 1x4j h SER 6 CO 0.72 -0.28 0.00 0.61 -0.53 0.00 0.00 176.83 177.35 1x4j n GLY 7 N -1.39 1.41 3.92 5.77 0.00 -1.26 -4.95 105.19 108.70 1x4j n GLY 7 Ca 0.26 -0.57 -0.21 0.00 0.00 0.00 0.00 46.02 45.50 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 2.50 0.43 1.61 -1.52 -1.26 -5.12 119.66 116.30 1x4j s GLN 8 Ca 0.00 -1.59 -0.13 0.00 -1.95 0.00 0.00 55.36 51.70 1x4j s GLN 8 Cb 0.00 -2.43 -0.07 0.00 -0.22 0.00 0.00 33.01 30.29 1x4j s GLN 8 CO 0.00 -0.37 0.83 -0.51 -0.25 0.00 0.00 175.29 175.00 1x4j s LEU 9 N -4.26 3.79 0.37 2.90 1.43 -1.26 -5.04 118.68 116.61 1x4j s LEU 9 Ca 0.49 1.29 -0.26 0.00 -1.03 0.00 0.00 54.13 54.61 1x4j s LEU 9 Cb -0.04 -4.18 -0.09 0.00 0.03 0.00 0.00 46.19 41.91 1x4j s LEU 9 CO 0.29 -0.44 1.20 -2.16 0.23 0.00 0.00 176.35 175.48 1x4j s PRO 10 N -3.81 4.16 -0.11 1.29 0.04 -1.26 -5.04 135.00 130.27 1x4j s PRO 10 Ca 0.54 1.94 -0.00 0.00 0.04 0.00 0.00 61.00 63.52 1x4j s PRO 10 Cb -0.10 -2.81 -0.02 0.00 0.04 0.00 0.00 34.50 31.60 1x4j s PRO 10 CO 0.30 -0.25 -0.10 -1.54 0.04 0.00 0.00 177.00 175.45 1x4j s SER 11 N -0.94 4.36 0.07 6.66 1.04 -1.26 -4.66 113.70 118.96 1x4j s SER 11 Ca 0.54 -0.18 -0.24 0.00 0.48 0.00 0.00 55.95 56.54 1x4j s SER 11 Cb -0.33 -1.42 0.06 0.00 0.10 0.00 0.00 66.02 64.43 1x4j s SER 11 CO 0.43 0.24 0.59 -0.72 0.98 0.00 0.00 173.24 174.75 1x4j s TYR 12 N -0.10 -0.52 -0.24 5.02 1.13 -1.26 -5.10 117.35 116.27 1x4j s TYR 12 Ca -0.00 0.54 -0.10 0.00 -1.41 0.00 0.00 57.07 56.10 1x4j s TYR 12 Cb -0.13 0.44 -0.05 0.00 -1.10 0.00 0.00 41.96 41.12 1x4j s TYR 12 CO 0.03 -0.72 0.16 1.03 -2.51 0.00 0.00 175.55 173.54 1x4j s ARG 13 N -2.74 4.05 0.12 -3.49 0.52 -1.26 -3.70 118.95 112.45 1x4j s ARG 13 Ca -0.04 -0.28 -0.34 0.00 -0.52 0.00 0.00 55.73 54.55 1x4j s ARG 13 Cb -0.01 -3.55 -0.14 0.00 0.52 0.00 0.00 34.95 31.78 1x4j s ARG 13 CO -0.04 0.03 1.58 0.34 0.02 0.00 0.00 175.30 177.23 1x4j n PHE 14 N 4.39 2.18 -4.02 -0.53 -0.00 -1.24 -4.85 117.46 113.38 1x4j n PHE 14 Ca -0.15 0.29 -0.35 0.00 -0.00 0.00 0.00 57.45 57.25 1x4j n PHE 14 Cb 0.52 -2.53 -0.14 0.00 -0.00 0.00 0.00 39.48 37.34 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 1.18 4.42 0.00 -2.13 -0.87 -1.26 -3.29 114.94 112.99 1x4j s ASN 15 Ca 0.81 -0.34 0.11 0.00 -1.57 0.00 0.00 52.86 51.88 1x4j s ASN 15 Cb -0.72 -1.75 0.67 0.00 -0.02 0.00 0.00 41.25 39.43 1x4j s ASN 15 CO 0.41 0.02 1.10 -0.81 -2.57 0.00 0.00 177.10 175.25 1x4j n PRO 16 N 4.56 0.49 -0.05 -0.60 -0.04 -1.26 -3.31 135.00 134.78 1x4j n PRO 16 Ca -0.18 0.00 -0.04 0.00 -0.04 0.00 0.00 63.50 63.25 1x4j n PRO 16 Cb 0.51 -1.36 -0.03 0.00 -0.04 0.00 0.00 33.50 32.58 1x4j n PRO 16 CO 0.00 0.00 0.00 -0.97 -0.04 0.00 0.00 175.50 174.49 1x4j h ASN 17 N 0.00 -0.02 -3.62 3.54 -1.24 -2.01 -3.48 115.58 108.75 1x4j h ASN 17 Ca 0.00 -0.23 -0.06 0.00 0.71 0.00 0.00 56.30 56.73 1x4j h ASN 17 Cb 0.00 0.00 -0.23 0.00 0.73 0.00 0.00 38.32 38.83 1x4j h ASN 17 CO 0.00 0.59 -0.05 0.21 -1.29 0.00 0.00 177.43 176.90 1x4j s ASN 18 N -5.68 -0.69 0.43 1.15 3.84 -1.21 -5.18 114.94 107.61 1x4j s ASN 18 Ca -0.05 1.23 0.03 0.00 0.21 0.00 0.00 52.86 54.29 1x4j s ASN 18 Cb -0.01 1.20 -0.02 0.00 -0.55 0.00 0.00 41.25 41.86 1x4j s ASN 18 CO 0.17 -0.21 0.09 -2.28 -2.79 0.00 0.00 177.10 172.07 1x4j s HIS 19 N 0.79 1.84 -0.02 0.43 2.46 -1.26 -4.76 115.29 114.77 1x4j s HIS 19 Ca -0.04 -1.16 0.12 0.00 0.47 0.00 0.00 55.06 54.45 1x4j s HIS 19 Cb -0.05 -1.31 -0.23 0.00 -0.13 0.00 0.00 32.58 30.86 1x4j s HIS 19 CO -0.06 -0.11 0.75 -0.56 -2.47 0.00 0.00 174.74 172.29 1x4j h GLN 20 N 1.69 0.00 -5.19 2.88 3.07 -2.02 -3.48 115.11 112.06 1x4j h GLN 20 Ca -0.38 -0.01 -0.67 0.00 0.09 0.00 0.00 58.65 57.68 1x4j h GLN 20 Cb 1.28 0.00 -0.13 0.00 0.08 0.00 0.00 27.48 28.71 1x4j h GLN 20 CO 0.63 0.57 -0.52 -1.12 0.09 0.00 0.00 178.83 178.49 1x4j s SER 21 N -6.19 4.02 0.00 0.06 0.01 -1.26 -5.07 113.70 105.27 1x4j s SER 21 Ca -0.04 -1.66 0.00 0.00 1.31 0.00 0.00 55.95 55.56 1x4j s SER 21 Cb 0.08 0.52 0.00 0.00 0.21 0.00 0.00 66.02 66.83 1x4j s SER 21 CO 0.82 -0.86 0.00 -1.84 0.41 0.00 0.00 173.24 171.78 1x4j n GLU 22 N -1.23 2.78 -0.68 12.44 0.28 -1.26 -4.72 120.64 128.25 1x4j n GLU 22 Ca -0.18 0.00 -0.10 0.00 -0.16 0.00 0.00 57.16 56.72 1x4j n GLU 22 Cb 0.67 -0.93 0.03 0.00 1.43 0.00 0.00 31.44 32.64 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 -1.90 1.51 -1.85 3.44 -0.00 -1.26 -4.89 117.38 112.42 1x4j n GLN 23 Ca 0.00 -1.03 -0.38 0.00 -0.00 0.00 0.00 57.00 55.59 1x4j n GLN 23 Cb 0.43 -1.40 -0.03 0.00 -0.00 0.00 0.00 30.24 29.24 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 -1.42 3.23 0.04 -0.39 -4.23 -1.26 -4.92 115.64 106.68 1x4j s THR 24 Ca 0.20 0.15 -0.04 0.00 -1.18 0.00 0.00 61.69 60.82 1x4j s THR 24 Cb 0.16 -3.55 -0.02 0.00 1.34 0.00 0.00 72.50 70.43 1x4j s THR 24 CO 0.01 -0.51 0.06 -0.22 -0.54 0.00 0.00 174.62 173.41 1x4j s LEU 25 N 10.02 1.97 -0.89 4.79 0.20 -1.26 -4.30 118.68 129.21 1x4j s LEU 25 Ca 0.80 -0.65 -0.15 0.00 0.69 0.00 0.00 54.13 54.82 1x4j s LEU 25 Cb -0.16 0.50 0.19 0.00 -0.43 0.00 0.00 46.19 46.29 1x4j s LEU 25 CO 0.24 -0.53 0.93 0.00 -0.29 0.00 0.00 176.35 176.70 1x4j h VAL 27 N 5.07 0.37 0.19 0.00 3.04 -1.84 1.33 116.25 124.41 1x4j h VAL 27 Ca 0.14 -0.05 -0.01 0.00 -1.01 0.00 0.00 66.70 65.77 1x4j h VAL 27 Cb 1.02 0.21 -0.00 0.00 -2.01 0.00 0.00 31.29 30.50 1x4j h VAL 27 CO 0.90 0.03 -0.15 0.58 -1.01 0.00 0.00 177.57 177.92 1x4j h VAL 28 N 0.15 0.00 -0.73 1.51 2.07 -1.90 -3.14 116.25 114.22 1x4j h VAL 28 Ca 0.65 0.00 -0.20 0.00 0.82 0.00 0.00 66.70 67.97 1x4j h VAL 28 Cb 2.17 0.00 -0.12 0.00 -1.52 0.00 0.00 31.29 31.83 1x4j h VAL 28 CO -0.18 0.00 0.25 0.00 0.02 0.00 0.00 177.57 177.66 1x4j n MET 30 N -0.08 -0.93 -4.02 0.00 0.00 0.45 -4.90 117.12 107.65 1x4j n MET 30 Ca 0.40 0.08 -0.12 0.00 0.00 0.00 0.00 57.70 58.05 1x4j n MET 30 Cb 1.38 -2.94 -0.12 0.00 0.00 0.00 0.00 33.22 31.54 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 -0.90 4.15 -0.18 0.00 -4.77 -1.26 0.74 116.67 114.45 1x4j s ASP 32 Ca -0.07 1.28 -0.16 0.00 -3.30 0.00 0.00 52.55 50.30 1x4j s ASP 32 Cb -0.06 -1.98 -0.04 0.00 -1.09 0.00 0.00 42.92 39.74 1x4j s ASP 32 CO -0.00 -2.18 0.38 -0.36 0.70 0.00 0.00 175.17 173.70 1x4j s PHE 33 N -3.14 3.41 0.90 2.11 0.08 -1.26 -4.80 117.98 115.29 1x4j s PHE 33 Ca 0.62 0.64 -0.14 0.00 0.12 0.00 0.00 56.93 58.16 1x4j s PHE 33 Cb -0.15 -2.48 0.15 0.00 -0.57 0.00 0.00 43.02 39.97 1x4j s PHE 33 CO 0.55 0.07 1.25 -1.21 -0.10 0.00 0.00 175.22 175.78 1x4j s GLU 34 N 1.02 1.18 0.38 0.44 2.02 -1.26 -5.05 118.70 117.43 1x4j s GLU 34 Ca 0.19 -0.15 -0.20 0.00 0.02 0.00 0.00 54.97 54.83 1x4j s GLU 34 Cb -0.14 -1.88 -0.10 0.00 0.10 0.00 0.00 34.13 32.10 1x4j s GLU 34 CO 0.07 -2.09 0.89 -1.54 0.02 0.00 0.00 175.26 172.61 1x4j s SER 35 N -4.69 6.96 -1.18 -0.19 1.04 -1.26 -4.05 113.70 110.32 1x4j s SER 35 Ca 0.68 1.60 -0.01 0.00 0.48 0.00 0.00 55.95 58.71 1x4j s SER 35 Cb -0.08 -2.50 0.00 0.00 0.10 0.00 0.00 66.02 63.54 1x4j s SER 35 CO 0.51 -0.27 0.99 0.54 0.98 0.00 0.00 173.24 176.00 1x4j n ARG 36 N -0.35 -6.57 -4.08 4.02 3.00 -1.21 -5.00 116.66 106.47 1x4j n ARG 36 Ca 0.05 0.83 -0.15 0.00 -0.01 0.00 0.00 57.85 58.57 1x4j n ARG 36 Cb 0.53 -5.80 -0.15 0.00 0.00 0.00 0.00 32.46 27.05 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 -5.39 0.34 -0.10 5.56 -1.52 -1.26 -5.01 119.66 112.29 1x4j s GLN 37 Ca 0.03 -0.13 -0.29 0.00 -1.95 0.00 0.00 55.36 53.02 1x4j s GLN 37 Cb -0.01 -0.34 -0.04 0.00 -0.22 0.00 0.00 33.01 32.39 1x4j s GLN 37 CO 0.71 0.07 1.48 -1.17 -0.25 0.00 0.00 175.29 176.13 1x4j s LEU 38 N 0.02 4.26 0.31 2.90 2.96 -1.26 -3.73 118.68 124.14 1x4j s LEU 38 Ca 0.00 1.99 0.09 0.00 -0.22 0.00 0.00 54.13 55.99 1x4j s LEU 38 Cb -0.03 -3.54 -0.06 0.00 0.50 0.00 0.00 46.19 43.06 1x4j s LEU 38 CO -0.00 -0.85 -0.09 -0.76 -1.32 0.00 0.00 176.35 173.33 1x4j s LEU 39 N 3.76 2.62 -0.10 -0.68 1.43 -1.24 -2.98 118.68 121.49 1x4j s LEU 39 Ca 0.65 -1.17 0.01 0.00 -1.03 0.00 0.00 54.13 52.58 1x4j s LEU 39 Cb -0.28 -0.87 0.02 0.00 0.03 0.00 0.00 46.19 45.09 1x4j s LEU 39 CO 0.23 -0.23 -0.10 -0.13 0.23 0.00 0.00 176.35 176.35 1x4j s ARG 40 N -3.64 1.69 -0.34 1.70 1.81 -0.48 -4.48 118.95 115.21 1x4j s ARG 40 Ca 0.31 -0.36 -0.16 0.00 -1.72 0.00 0.00 55.73 53.81 1x4j s ARG 40 Cb 0.02 -1.57 -0.01 0.00 -0.45 0.00 0.00 34.95 32.94 1x4j s ARG 40 CO 0.14 -0.14 0.38 0.08 -0.68 0.00 0.00 175.30 175.09 1x4j s VAL 41 N 1.23 5.15 0.84 3.52 1.01 -1.26 -0.86 120.40 130.03 1x4j s VAL 41 Ca -0.03 0.10 -0.11 0.00 0.00 0.00 0.00 61.98 61.93 1x4j s VAL 41 Cb -0.14 -3.84 0.10 0.00 0.00 0.00 0.00 36.38 32.51 1x4j s VAL 41 CO -0.03 -0.10 1.15 -0.76 0.00 0.00 0.00 175.10 175.35 1x4j s LEU 42 N 2.07 2.99 0.00 3.92 1.43 0.20 -4.86 118.68 124.43 1x4j s LEU 42 Ca 0.13 2.15 0.04 0.00 -1.03 0.00 0.00 54.13 55.42 1x4j s LEU 42 Cb -0.16 -4.56 0.23 0.00 0.03 0.00 0.00 46.19 41.72 1x4j s LEU 42 CO 0.12 -2.70 0.70 -0.81 0.23 0.00 0.00 176.35 173.89 1x4j n PRO 43 N -3.75 0.49 -0.20 1.29 -0.04 -1.26 -1.97 135.00 129.56 1x4j n PRO 43 Ca 0.12 0.00 0.06 0.00 -0.04 0.00 0.00 63.50 63.63 1x4j n PRO 43 Cb 0.52 -1.12 0.15 0.00 -0.04 0.00 0.00 33.50 33.01 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 0.08 -2.23 -3.96 0.00 4.13 -0.83 -5.06 115.26 107.38 1x4j n ASN 45 Ca 0.12 -0.20 -0.18 0.00 1.68 0.00 0.00 54.58 56.00 1x4j n ASN 45 Cb 0.50 -2.03 -0.15 0.00 -1.54 0.00 0.00 39.78 36.56 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 -3.12 0.63 0.14 3.10 3.76 -1.24 -4.97 115.29 113.59 1x4j s HIS 46 Ca 0.03 -0.13 -0.10 0.00 -0.15 0.00 0.00 55.06 54.70 1x4j s HIS 46 Cb -0.01 -0.45 -0.06 0.00 1.11 0.00 0.00 32.58 33.16 1x4j s HIS 46 CO 0.24 -0.05 0.47 -1.21 -0.85 0.00 0.00 174.74 173.34 1x4j s GLU 47 N 0.11 3.81 0.33 1.40 2.02 -1.26 0.59 118.70 125.69 1x4j s GLU 47 Ca -0.01 0.25 -0.07 0.00 0.02 0.00 0.00 54.97 55.17 1x4j s GLU 47 Cb -0.06 -2.89 0.01 0.00 0.10 0.00 0.00 34.13 31.30 1x4j s GLU 47 CO -0.00 0.48 0.53 -0.06 0.02 0.00 0.00 175.26 176.22 1x4j s PHE 48 N -1.53 0.77 -0.35 1.61 0.08 -0.04 -4.62 117.98 113.90 1x4j s PHE 48 Ca 0.38 -1.10 -0.19 0.00 0.12 0.00 0.00 56.93 56.15 1x4j s PHE 48 Cb -0.13 0.12 -0.00 0.00 -0.57 0.00 0.00 43.02 42.43 1x4j s PHE 48 CO 0.20 -1.18 0.54 -1.01 -0.10 0.00 0.00 175.22 173.67 1x4j s HIS 49 N -3.13 3.18 0.55 0.36 3.76 -1.26 -1.38 115.29 117.37 1x4j s HIS 49 Ca 0.26 0.24 0.46 0.00 -0.15 0.00 0.00 55.06 55.88 1x4j s HIS 49 Cb -0.01 -2.96 1.59 0.00 1.11 0.00 0.00 32.58 32.31 1x4j s HIS 49 CO 0.16 -0.54 1.49 0.00 -0.85 0.00 0.00 174.74 175.00 1x4j n ALA 50 N 5.79 1.74 -0.05 -1.40 0.00 -1.16 0.88 120.51 126.31 1x4j n ALA 50 Ca -0.04 0.60 -0.19 0.00 0.00 0.00 0.00 53.44 53.81 1x4j n ALA 50 Cb 0.49 -1.04 -0.13 0.00 0.00 0.00 0.00 19.45 18.77 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 0.09 0.09 0.00 2.10 -1.91 -3.24 116.57 113.70 1x4j h LYS 51 Ca 0.86 -0.15 -0.00 0.00 -2.00 0.00 0.00 60.65 59.36 1x4j h LYS 51 Cb 3.60 0.06 0.00 0.00 -0.90 0.00 0.00 32.23 34.98 1x4j h LYS 51 CO -0.01 1.07 -0.04 0.00 -2.00 0.00 0.00 179.45 178.47 1x4j h VAL 53 N -0.14 0.14 -0.44 0.00 3.04 -1.17 0.54 116.25 118.23 1x4j h VAL 53 Ca -0.01 -0.05 0.07 0.00 -1.01 0.00 0.00 66.70 65.69 1x4j h VAL 53 Cb 0.09 -0.02 -0.06 0.00 -2.01 0.00 0.00 31.29 29.30 1x4j h VAL 53 CO 0.02 0.03 0.10 -0.78 -1.01 0.00 0.00 177.57 175.93 1x4j h ASP 54 N 0.15 0.04 -0.04 3.17 3.58 -1.57 0.23 116.42 121.99 1x4j h ASP 54 Ca 0.80 0.07 -0.01 0.00 0.42 0.00 0.00 57.03 58.30 1x4j h ASP 54 Cb 2.03 0.09 -0.00 0.00 1.72 0.00 0.00 39.33 43.17 1x4j h ASP 54 CO -0.66 0.06 -0.03 0.11 -2.88 0.00 0.00 179.24 175.84 1x4j h LYS 55 N 0.24 0.09 0.48 0.28 1.57 0.23 -3.07 116.57 116.39 1x4j h LYS 55 Ca 0.21 -0.04 -0.01 0.00 -1.87 0.00 0.00 60.65 58.94 1x4j h LYS 55 Cb 0.26 -0.00 -0.02 0.00 0.08 0.00 0.00 32.23 32.54 1x4j h LYS 55 CO -0.27 0.50 -0.50 2.35 -0.57 0.00 0.00 179.45 180.96 1x4j h TRP 56 N -0.32 -1.39 -0.99 -1.35 2.91 -0.97 -2.05 115.95 111.79 1x4j h TRP 56 Ca 0.01 0.01 0.35 0.00 1.13 0.00 0.00 58.89 60.39 1x4j h TRP 56 Cb 0.48 0.55 -0.16 0.00 -0.51 0.00 0.00 29.16 29.51 1x4j h TRP 56 CO 0.08 -0.66 0.51 -0.07 -1.03 0.00 0.00 178.44 177.26 1x4j h LEU 57 N -0.99 0.36 -0.57 0.65 3.38 -0.62 0.70 115.31 118.23 1x4j h LEU 57 Ca -0.06 0.22 0.06 0.00 0.09 0.00 0.00 57.88 58.19 1x4j h LEU 57 Cb 0.86 0.21 -0.05 0.00 0.09 0.00 0.00 40.66 41.77 1x4j h LEU 57 CO -0.08 -0.26 0.28 0.50 0.09 0.00 0.00 178.44 178.98 1x4j h LYS 58 N 0.18 0.52 -0.02 1.13 3.64 -1.27 -2.90 116.57 117.85 1x4j h LYS 58 Ca 0.76 -0.03 -0.08 0.00 -1.27 0.00 0.00 60.65 60.03 1x4j h LYS 58 Cb 1.83 -0.12 0.01 0.00 -0.41 0.00 0.00 32.23 33.54 1x4j h LYS 58 CO -0.68 0.34 -0.28 0.00 -2.27 0.00 0.00 179.45 176.55 1x4j h ALA 59 N 1.33 0.06 -3.38 5.00 0.00 0.44 -3.45 119.26 119.26 1x4j h ALA 59 Ca 0.26 -0.46 -0.42 0.00 0.00 0.00 0.00 54.91 54.30 1x4j h ALA 59 Cb 0.20 0.01 -0.36 0.00 0.00 0.00 0.00 17.79 17.65 1x4j h ALA 59 CO -0.20 0.12 -0.77 -0.80 0.00 0.00 0.00 179.25 177.60 1x4j s ASN 60 N -6.34 1.19 -0.01 0.00 0.01 0.36 -5.03 114.94 105.12 1x4j s ASN 60 Ca -0.15 -0.11 -0.03 0.00 -0.71 0.00 0.00 52.86 51.86 1x4j s ASN 60 Cb 0.02 -0.45 -0.12 0.00 0.41 0.00 0.00 41.25 41.11 1x4j s ASN 60 CO 0.75 -0.11 2.75 -2.11 -1.51 0.00 0.00 177.10 176.88 1x4j n ARG 61 N 4.48 1.50 -4.12 -0.60 1.85 -1.20 -3.66 116.66 114.91 1x4j n ARG 61 Ca -0.18 -0.53 -0.10 0.00 -1.00 0.00 0.00 57.85 56.04 1x4j n ARG 61 Cb 0.50 -1.49 -0.09 0.00 -1.05 0.00 0.00 32.46 30.33 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 0.37 0.10 -0.06 8.89 -4.23 -1.26 -3.04 115.64 116.40 1x4j s THR 62 Ca 0.32 -1.82 -0.30 0.00 -1.18 0.00 0.00 61.69 58.71 1x4j s THR 62 Cb 0.16 -2.01 -0.02 0.00 1.34 0.00 0.00 72.50 71.97 1x4j s THR 62 CO -0.00 -0.44 1.08 0.00 -0.54 0.00 0.00 174.62 174.72 1x4j n PRO 64 N 4.86 0.49 0.02 0.00 -0.04 -1.26 0.17 135.00 139.24 1x4j n PRO 64 Ca 0.09 0.00 -0.01 0.00 -0.04 0.00 0.00 63.50 63.54 1x4j n PRO 64 Cb 0.48 -1.00 -0.00 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 -0.49 0.93 -1.04 0.52 5.41 -1.26 -4.82 119.36 118.60 1x4j n ILE 65 Ca 0.00 0.29 0.06 0.00 1.00 0.00 0.00 62.75 64.11 1x4j n ILE 65 Cb 0.00 -1.51 0.26 0.00 -0.71 0.00 0.00 39.64 37.68 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 -0.51 -0.88 -2.91 0.00 3.00 0.13 -4.79 116.66 110.70 1x4j n ARG 67 Ca 0.24 0.08 -0.43 0.00 -0.01 0.00 0.00 57.85 57.73 1x4j n ARG 67 Cb 0.95 -2.86 -0.05 0.00 0.00 0.00 0.00 32.46 30.50 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 -2.32 3.27 -0.33 7.54 0.00 -1.26 -4.62 121.76 124.03 1x4j s ALA 68 Ca 0.49 -0.92 -0.37 0.00 0.00 0.00 0.00 51.96 51.16 1x4j s ALA 68 Cb -0.29 -3.54 -0.16 0.00 0.00 0.00 0.00 23.12 19.14 1x4j s ALA 68 CO 0.60 -1.97 1.22 -3.47 0.00 0.00 0.00 175.76 172.14 1x4j n ASP 69 N 6.89 0.81 -0.18 0.00 2.03 -1.26 -3.50 116.55 121.33 1x4j n ASP 69 Ca 0.04 0.96 -0.10 0.00 0.52 0.00 0.00 54.79 56.21 1x4j n ASP 69 Cb 0.48 -0.72 0.02 0.00 -0.72 0.00 0.00 41.12 40.19 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 1.02 -4.34 1.67 4.64 -1.89 -3.48 113.55 114.94 1x4j h SER 70 Ca -0.37 -0.34 0.31 0.00 -0.47 0.00 0.00 61.79 60.92 1x4j h SER 70 Cb 1.12 -0.28 -0.19 0.00 -0.31 0.00 0.00 62.40 62.74 1x4j h SER 70 CO 0.75 1.13 0.91 -0.83 -0.87 0.00 0.00 176.83 177.91 1x4j s GLY 71 N -3.67 -0.27 0.00 -0.77 0.00 -1.26 -4.86 107.32 96.49 1x4j s GLY 71 Ca -0.11 1.66 0.16 0.00 0.00 0.00 0.00 44.72 46.42 1x4j s GLY 71 CO 0.86 0.54 1.36 -1.55 0.00 0.00 0.00 173.10 174.31 1x4j n PRO 72 N -0.10 0.44 -3.94 2.90 -0.04 -1.26 -4.74 135.00 128.26 1x4j n PRO 72 Ca 0.02 0.02 -0.22 0.00 -0.04 0.00 0.00 63.50 63.29 1x4j n PRO 72 Cb 0.58 -1.50 -0.04 0.00 -0.04 0.00 0.00 33.50 32.50 1x4j n PRO 72 CO 0.00 0.00 0.00 -1.54 -0.04 0.00 0.00 175.50 173.92 1x4j s SER 73 N -2.09 5.31 -0.25 3.54 1.04 -1.26 -5.06 113.70 114.93 1x4j s SER 73 Ca 0.22 -0.43 -0.10 0.00 0.48 0.00 0.00 55.95 56.12 1x4j s SER 73 Cb 0.11 -1.10 -0.16 0.00 0.10 0.00 0.00 66.02 64.97 1x4j s SER 73 CO 0.19 -0.24 -0.19 -1.20 0.98 0.00 0.00 173.24 172.79 1x4j n SER 74 N -1.28 1.97 0.00 7.02 7.64 -1.26 -5.02 113.62 122.68 1x4j n SER 74 Ca -0.04 0.20 0.00 0.00 1.01 0.00 0.00 58.87 60.04 1x4j n SER 74 Cb 0.59 -0.73 0.00 0.00 -1.01 0.00 0.00 64.21 63.07 1x4j n SER 74 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64