#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 0.46 -4.21 1.61 7.64 -1.26 -5.02 113.62 112.85 1x4j n SER 2 Ca 0.00 0.07 -0.35 0.00 1.01 0.00 0.00 58.87 59.60 1x4j n SER 2 Cb 0.00 -0.18 -0.03 0.00 -1.01 0.00 0.00 64.21 62.99 1x4j n SER 2 CO 0.00 0.00 0.00 -1.20 -3.01 0.00 0.00 175.04 170.83 1x4j n SER 3 N -3.28 -2.82 -1.12 6.43 7.64 -1.26 -4.49 113.62 114.71 1x4j n SER 3 Ca -0.09 -1.02 0.09 0.00 1.01 0.00 0.00 58.87 58.85 1x4j n SER 3 Cb 0.51 -2.73 -0.05 0.00 -1.01 0.00 0.00 64.21 60.93 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 -1.49 -3.41 3.66 0.23 0.00 -1.26 -4.73 105.19 98.20 1x4j n GLY 4 Ca 0.02 -1.08 -0.42 0.00 0.00 0.00 0.00 46.02 44.54 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 -5.88 6.69 0.12 1.61 1.04 -1.26 -4.99 113.70 111.03 1x4j s SER 5 Ca 0.00 2.20 0.00 0.00 0.48 0.00 0.00 55.95 58.64 1x4j s SER 5 Cb 0.00 -2.54 -0.04 0.00 0.10 0.00 0.00 66.02 63.54 1x4j s SER 5 CO 0.00 -0.91 -0.00 -0.94 0.98 0.00 0.00 173.24 172.37 1x4j s SER 6 N 3.20 0.79 -0.99 7.02 1.04 -1.26 -5.10 113.70 118.40 1x4j s SER 6 Ca 0.72 -1.12 -0.15 0.00 0.48 0.00 0.00 55.95 55.89 1x4j s SER 6 Cb -0.33 0.18 0.19 0.00 0.10 0.00 0.00 66.02 66.16 1x4j s SER 6 CO 0.29 -0.60 1.09 -0.83 0.98 0.00 0.00 173.24 174.17 1x4j s GLY 7 N -3.06 2.44 -0.30 7.32 0.00 -1.26 -5.00 107.32 107.46 1x4j s GLY 7 Ca 0.18 -3.22 -0.44 0.00 0.00 0.00 0.00 44.72 41.24 1x4j s GLY 7 CO -0.01 1.70 1.38 0.61 0.00 0.00 0.00 173.10 176.78 1x4j n GLN 8 N 5.03 0.00 -1.21 2.90 0.00 -1.26 -4.80 117.38 118.04 1x4j n GLN 8 Ca 0.24 0.00 -0.37 0.00 0.00 0.00 0.00 57.00 56.87 1x4j n GLN 8 Cb 0.46 -1.48 0.04 0.00 0.00 0.00 0.00 30.24 29.26 1x4j n GLN 8 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.06 178.34 1x4j n LEU 9 N 3.00 -1.91 -4.65 2.61 4.77 -1.26 -4.82 117.00 114.74 1x4j n LEU 9 Ca 0.26 0.54 -0.43 0.00 -0.03 0.00 0.00 56.01 56.36 1x4j n LEU 9 Cb -0.01 -1.01 -0.03 0.00 -2.33 0.00 0.00 43.42 40.05 1x4j n LEU 9 CO 0.78 -4.20 1.29 -2.16 -1.33 0.00 0.00 177.39 171.77 1x4j s PRO 10 N -2.02 4.11 -0.14 3.23 0.04 -1.26 -5.00 135.00 133.96 1x4j s PRO 10 Ca 0.58 1.93 -0.18 0.00 0.04 0.00 0.00 61.00 63.38 1x4j s PRO 10 Cb -0.37 -3.94 -0.04 0.00 0.04 0.00 0.00 34.50 30.19 1x4j s PRO 10 CO 0.65 -0.90 0.46 -1.54 0.04 0.00 0.00 177.00 175.70 1x4j s SER 11 N 3.15 6.62 -0.07 6.66 1.04 -1.26 -4.59 113.70 125.24 1x4j s SER 11 Ca 0.68 0.73 -0.30 0.00 0.48 0.00 0.00 55.95 57.54 1x4j s SER 11 Cb -0.28 -2.27 0.07 0.00 0.10 0.00 0.00 66.02 63.64 1x4j s SER 11 CO 0.25 -0.02 0.68 -0.72 0.98 0.00 0.00 173.24 174.41 1x4j s TYR 12 N 0.82 -0.67 -0.06 5.02 1.13 -1.25 -5.04 117.35 117.30 1x4j s TYR 12 Ca 0.24 1.19 -0.23 0.00 -1.41 0.00 0.00 57.07 56.86 1x4j s TYR 12 Cb -0.15 0.39 -0.04 0.00 -1.10 0.00 0.00 41.96 41.07 1x4j s TYR 12 CO 0.09 -0.59 0.68 1.03 -2.51 0.00 0.00 175.55 174.26 1x4j s ARG 13 N -1.04 4.43 0.88 -3.49 0.52 -1.26 -2.78 118.95 116.20 1x4j s ARG 13 Ca -0.10 0.85 -0.15 0.00 -0.52 0.00 0.00 55.73 55.81 1x4j s ARG 13 Cb -0.01 -3.44 -0.04 0.00 0.52 0.00 0.00 34.95 31.99 1x4j s ARG 13 CO 0.09 0.10 0.10 0.34 0.02 0.00 0.00 175.30 175.95 1x4j n PHE 14 N 3.67 -2.33 -3.74 -0.53 7.35 -1.24 -4.95 117.46 115.68 1x4j n PHE 14 Ca -0.02 0.21 -0.20 0.00 -0.76 0.00 0.00 57.45 56.67 1x4j n PHE 14 Cb 0.51 -1.72 -0.18 0.00 0.35 0.00 0.00 39.48 38.45 1x4j n PHE 14 CO 0.00 0.00 0.00 1.21 -0.76 0.00 0.00 176.76 177.21 1x4j s ASN 15 N -1.57 1.17 0.09 -2.13 2.47 -1.26 -4.19 114.94 109.53 1x4j s ASN 15 Ca 0.55 0.01 0.17 0.00 0.42 0.00 0.00 52.86 54.01 1x4j s ASN 15 Cb -0.25 -0.25 0.74 0.00 -1.45 0.00 0.00 41.25 40.03 1x4j s ASN 15 CO 0.69 -0.21 1.55 -0.81 -3.72 0.00 0.00 177.10 174.60 1x4j n PRO 16 N 5.06 0.07 0.06 0.43 -0.04 -1.26 -2.54 135.00 136.78 1x4j n PRO 16 Ca -0.08 0.32 -0.13 0.00 -0.04 0.00 0.00 63.50 63.57 1x4j n PRO 16 Cb 0.50 -1.63 -0.14 0.00 -0.04 0.00 0.00 33.50 32.19 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 0.24 -4.27 3.54 -1.24 -2.02 -3.48 115.58 108.35 1x4j h ASN 17 Ca 0.00 -0.31 0.06 0.00 0.71 0.00 0.00 56.30 56.76 1x4j h ASN 17 Cb 0.28 -0.08 -0.22 0.00 0.73 0.00 0.00 38.32 39.03 1x4j h ASN 17 CO 0.00 1.25 0.49 0.21 -1.29 0.00 0.00 177.43 178.09 1x4j s ASN 18 N -6.82 -0.42 0.19 1.15 2.47 -1.05 -5.19 114.94 105.27 1x4j s ASN 18 Ca -0.05 0.45 -0.14 0.00 0.42 0.00 0.00 52.86 53.54 1x4j s ASN 18 Cb 0.08 0.34 0.01 0.00 -1.45 0.00 0.00 41.25 40.23 1x4j s ASN 18 CO 0.85 -0.39 0.44 -1.38 -3.72 0.00 0.00 177.10 172.89 1x4j s HIS 19 N -1.14 0.08 -0.02 0.43 -3.43 -1.26 -4.18 115.29 105.76 1x4j s HIS 19 Ca -0.03 -0.43 -0.21 0.00 -0.80 0.00 0.00 55.06 53.59 1x4j s HIS 19 Cb -0.00 0.23 -0.13 0.00 -1.43 0.00 0.00 32.58 31.24 1x4j s HIS 19 CO 0.03 -0.85 0.91 -0.56 -2.00 0.00 0.00 174.74 172.27 1x4j h GLN 20 N 2.32 -0.49 -5.06 -0.38 3.07 -2.03 -3.43 115.11 109.12 1x4j h GLN 20 Ca -0.30 0.03 -0.64 0.00 0.09 0.00 0.00 58.65 57.83 1x4j h GLN 20 Cb 1.25 0.11 -0.23 0.00 0.08 0.00 0.00 27.48 28.69 1x4j h GLN 20 CO 0.41 -0.19 -0.65 -1.12 0.09 0.00 0.00 178.83 177.37 1x4j s SER 21 N -5.02 4.96 0.35 0.06 0.01 -1.26 -4.99 113.70 107.82 1x4j s SER 21 Ca -0.12 -0.20 0.03 0.00 1.31 0.00 0.00 55.95 56.97 1x4j s SER 21 Cb 0.01 -1.86 0.63 0.00 0.21 0.00 0.00 66.02 65.01 1x4j s SER 21 CO 0.40 0.03 1.97 1.05 0.41 0.00 0.00 173.24 177.11 1x4j h GLU 22 N 7.75 0.75 -1.55 12.44 4.11 -2.03 -2.26 114.58 133.78 1x4j h GLU 22 Ca -0.37 -0.07 -0.23 0.00 0.07 0.00 0.00 59.36 58.75 1x4j h GLU 22 Cb 1.17 -0.15 -0.10 0.00 0.50 0.00 0.00 28.75 30.17 1x4j h GLU 22 CO 0.60 0.55 0.30 0.00 0.07 0.00 0.00 179.01 180.54 1x4j n GLN 23 N -4.40 1.58 -1.87 1.06 -0.00 -1.26 -4.90 117.38 107.59 1x4j n GLN 23 Ca 0.05 -1.16 -0.38 0.00 -0.00 0.00 0.00 57.00 55.51 1x4j n GLN 23 Cb 0.10 -1.45 -0.03 0.00 -0.00 0.00 0.00 30.24 28.85 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 -1.64 3.23 -0.03 -0.39 -1.32 -0.85 -4.92 115.64 109.71 1x4j s THR 24 Ca 0.23 0.13 -0.05 0.00 -1.21 0.00 0.00 61.69 60.79 1x4j s THR 24 Cb 0.18 -3.62 0.01 0.00 -1.51 0.00 0.00 72.50 67.56 1x4j s THR 24 CO 0.00 -0.60 0.13 -0.22 -2.21 0.00 0.00 174.62 171.73 1x4j s LEU 25 N 10.18 1.52 -0.45 9.08 0.20 -1.26 -4.50 118.68 133.45 1x4j s LEU 25 Ca 0.78 0.11 -0.27 0.00 0.69 0.00 0.00 54.13 55.44 1x4j s LEU 25 Cb -0.14 0.52 0.03 0.00 -0.43 0.00 0.00 46.19 46.17 1x4j s LEU 25 CO 0.22 -0.15 1.02 0.00 -0.29 0.00 0.00 176.35 177.15 1x4j h VAL 27 N 6.09 0.00 0.29 0.00 3.04 -1.91 0.36 116.25 124.12 1x4j h VAL 27 Ca -0.23 -0.56 -0.01 0.00 -1.01 0.00 0.00 66.70 64.89 1x4j h VAL 27 Cb 1.07 1.52 0.00 0.00 -2.01 0.00 0.00 31.29 31.87 1x4j h VAL 27 CO 1.06 0.00 -0.14 0.58 -1.01 0.00 0.00 177.57 178.06 1x4j h VAL 28 N 0.00 0.00 -0.04 1.51 2.07 -1.92 -3.32 116.25 114.56 1x4j h VAL 28 Ca 0.00 -0.18 0.00 0.00 0.82 0.00 0.00 66.70 67.34 1x4j h VAL 28 Cb 0.59 0.00 0.00 0.00 -1.52 0.00 0.00 31.29 30.36 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 0.52 -4.15 -3.89 0.00 0.00 0.12 -4.96 117.12 104.75 1x4j n MET 30 Ca 0.18 0.48 -0.14 0.00 0.00 0.00 0.00 57.70 58.22 1x4j n MET 30 Cb 0.42 -5.05 -0.15 0.00 0.00 0.00 0.00 33.22 28.44 1x4j n MET 30 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 175.97 175.97 1x4j n ASP 32 N 3.58 -3.22 -3.01 0.00 2.03 -1.26 -3.47 116.55 111.20 1x4j n ASP 32 Ca -0.20 0.34 -0.12 0.00 0.52 0.00 0.00 54.79 55.33 1x4j n ASP 32 Cb 0.55 -1.06 0.07 0.00 -0.72 0.00 0.00 41.12 39.97 1x4j n ASP 32 CO 0.00 0.00 0.00 0.49 -1.92 0.00 0.00 177.20 175.77 1x4j n PHE 33 N -3.00 -3.60 -4.31 -0.67 3.72 -1.26 -4.85 117.46 103.49 1x4j n PHE 33 Ca 0.05 -0.66 -0.18 0.00 -0.05 0.00 0.00 57.45 56.60 1x4j n PHE 33 Cb 0.53 -0.40 -0.14 0.00 -0.94 0.00 0.00 39.48 38.53 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 -3.98 0.70 0.52 -1.08 0.41 -1.26 -5.02 118.70 108.98 1x4j s GLU 34 Ca 0.32 -0.41 0.29 0.00 -0.41 0.00 0.00 54.97 54.76 1x4j s GLU 34 Cb -0.01 -0.66 1.38 0.00 -1.78 0.00 0.00 34.13 33.06 1x4j s GLU 34 CO 0.22 0.17 2.02 0.66 -0.49 0.00 0.00 175.26 177.84 1x4j h SER 35 N 5.64 0.00 -0.89 -0.19 4.64 -1.94 -2.72 113.55 118.10 1x4j h SER 35 Ca -0.32 0.00 -0.61 0.00 -0.47 0.00 0.00 61.79 60.39 1x4j h SER 35 Cb 1.18 0.00 -0.34 0.00 -0.31 0.00 0.00 62.40 62.94 1x4j h SER 35 CO 0.48 0.12 0.21 0.54 -0.87 0.00 0.00 176.83 177.31 1x4j n ARG 36 N -3.43 3.00 -3.77 4.77 5.12 -1.26 -3.87 116.66 117.21 1x4j n ARG 36 Ca -0.01 -3.61 -0.13 0.00 -1.93 0.00 0.00 57.85 52.17 1x4j n ARG 36 Cb 0.29 -2.27 -0.13 0.00 -1.16 0.00 0.00 32.46 29.18 1x4j n ARG 36 CO 0.00 0.00 0.00 -0.65 -1.93 0.00 0.00 177.63 175.05 1x4j s GLN 37 N -3.71 0.15 0.04 5.56 -1.52 -1.03 -5.07 119.66 114.08 1x4j s GLN 37 Ca 0.59 0.35 -0.31 0.00 -1.95 0.00 0.00 55.36 54.04 1x4j s GLN 37 Cb 0.47 -0.07 -0.07 0.00 -0.22 0.00 0.00 33.01 33.12 1x4j s GLN 37 CO 0.01 -0.11 1.44 -1.17 -0.25 0.00 0.00 175.29 175.21 1x4j s LEU 38 N 0.79 4.34 0.16 2.90 2.96 -1.26 -3.67 118.68 124.90 1x4j s LEU 38 Ca -0.06 2.23 0.11 0.00 -0.22 0.00 0.00 54.13 56.19 1x4j s LEU 38 Cb -0.07 -3.57 -0.04 0.00 0.50 0.00 0.00 46.19 43.01 1x4j s LEU 38 CO -0.04 -0.73 -0.24 -0.76 -1.32 0.00 0.00 176.35 173.26 1x4j s LEU 39 N 2.09 2.38 -0.18 -0.68 1.43 -1.12 -2.77 118.68 119.84 1x4j s LEU 39 Ca 0.66 -0.81 0.00 0.00 -1.03 0.00 0.00 54.13 52.95 1x4j s LEU 39 Cb -0.34 -1.14 0.01 0.00 0.03 0.00 0.00 46.19 44.75 1x4j s LEU 39 CO 0.28 0.13 -0.17 -0.13 0.23 0.00 0.00 176.35 176.69 1x4j s ARG 40 N -2.40 3.11 -0.26 1.70 1.81 -0.35 -3.97 118.95 118.59 1x4j s ARG 40 Ca 0.17 -0.78 -0.18 0.00 -1.72 0.00 0.00 55.73 53.22 1x4j s ARG 40 Cb -0.09 -2.64 -0.03 0.00 -0.45 0.00 0.00 34.95 31.75 1x4j s ARG 40 CO 0.08 -0.13 0.51 0.08 -0.68 0.00 0.00 175.30 175.15 1x4j s VAL 41 N 1.16 5.08 0.84 3.52 1.01 -1.26 -1.60 120.40 129.14 1x4j s VAL 41 Ca 0.01 0.86 -0.11 0.00 0.00 0.00 0.00 61.98 62.74 1x4j s VAL 41 Cb -0.14 -3.82 0.10 0.00 0.00 0.00 0.00 36.38 32.52 1x4j s VAL 41 CO -0.07 0.09 1.15 -0.76 0.00 0.00 0.00 175.10 175.50 1x4j s LEU 42 N 2.30 3.00 0.00 3.92 1.43 0.16 -4.86 118.68 124.62 1x4j s LEU 42 Ca 0.21 2.13 0.06 0.00 -1.03 0.00 0.00 54.13 55.50 1x4j s LEU 42 Cb -0.16 -4.56 0.34 0.00 0.03 0.00 0.00 46.19 41.84 1x4j s LEU 42 CO 0.09 -2.65 0.80 -0.81 0.23 0.00 0.00 176.35 174.01 1x4j n PRO 43 N -3.72 0.49 -0.50 1.29 -0.04 -1.26 -2.29 135.00 128.97 1x4j n PRO 43 Ca 0.11 0.00 0.05 0.00 -0.04 0.00 0.00 63.50 63.62 1x4j n PRO 43 Cb 0.52 -1.18 0.23 0.00 -0.04 0.00 0.00 33.50 33.02 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 -0.83 -3.54 -3.88 0.00 3.02 -0.97 -5.04 115.26 104.03 1x4j n ASN 45 Ca 0.24 -0.55 -0.14 0.00 -0.03 0.00 0.00 54.58 54.10 1x4j n ASN 45 Cb 0.90 -4.45 -0.15 0.00 -0.61 0.00 0.00 39.78 35.47 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 -3.31 0.18 0.10 3.10 3.76 -1.24 -4.98 115.29 112.90 1x4j s HIS 46 Ca 0.15 -0.01 -0.14 0.00 -0.15 0.00 0.00 55.06 54.90 1x4j s HIS 46 Cb -0.02 -0.17 -0.06 0.00 1.11 0.00 0.00 32.58 33.44 1x4j s HIS 46 CO 0.62 -0.03 0.50 -1.21 -0.85 0.00 0.00 174.74 173.77 1x4j s GLU 47 N 0.22 3.95 0.29 1.40 8.01 -1.26 0.36 118.70 131.67 1x4j s GLU 47 Ca -0.02 0.45 -0.09 0.00 0.01 0.00 0.00 54.97 55.32 1x4j s GLU 47 Cb -0.04 -3.02 0.00 0.00 -4.31 0.00 0.00 34.13 26.76 1x4j s GLU 47 CO -0.01 0.55 0.49 -0.06 0.01 0.00 0.00 175.26 176.24 1x4j s PHE 48 N -1.35 0.60 -0.10 1.61 0.08 -0.63 -4.44 117.98 113.75 1x4j s PHE 48 Ca 0.34 -0.94 -0.17 0.00 0.12 0.00 0.00 56.93 56.28 1x4j s PHE 48 Cb -0.16 0.13 -0.05 0.00 -0.57 0.00 0.00 43.02 42.37 1x4j s PHE 48 CO 0.18 -1.07 0.44 -1.01 -0.10 0.00 0.00 175.22 173.66 1x4j s HIS 49 N -3.57 3.55 0.60 0.36 3.76 -1.26 -1.21 115.29 117.52 1x4j s HIS 49 Ca 0.25 0.88 0.28 0.00 -0.15 0.00 0.00 55.06 56.32 1x4j s HIS 49 Cb -0.01 -2.47 1.39 0.00 1.11 0.00 0.00 32.58 32.60 1x4j s HIS 49 CO 0.13 0.27 1.79 0.00 -0.85 0.00 0.00 174.74 176.08 1x4j h ALA 50 N 6.31 2.24 0.03 -1.40 0.00 -1.82 -0.08 119.26 124.54 1x4j h ALA 50 Ca -0.43 -0.02 -0.29 0.00 0.00 0.00 0.00 54.91 54.17 1x4j h ALA 50 Cb 1.18 0.04 -0.04 0.00 0.00 0.00 0.00 17.79 18.98 1x4j h ALA 50 CO 0.73 -0.86 -1.59 0.36 0.00 0.00 0.00 179.25 177.88 1x4j n LYS 51 N -3.56 0.61 0.05 0.00 2.85 -1.26 -3.78 118.16 113.07 1x4j n LYS 51 Ca 0.10 0.47 -0.02 0.00 -1.05 0.00 0.00 58.31 57.81 1x4j n LYS 51 Cb 0.80 -1.71 -0.01 0.00 -0.65 0.00 0.00 35.03 33.46 1x4j n LYS 51 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 177.40 177.35 1x4j h VAL 53 N -0.12 0.25 -0.15 0.00 3.04 -1.32 0.29 116.25 118.23 1x4j h VAL 53 Ca -0.01 -0.09 0.04 0.00 -1.01 0.00 0.00 66.70 65.63 1x4j h VAL 53 Cb 0.10 -0.03 -0.04 0.00 -2.01 0.00 0.00 31.29 29.31 1x4j h VAL 53 CO 0.02 0.05 -0.08 -0.78 -1.01 0.00 0.00 177.57 175.76 1x4j h ASP 54 N 0.25 -0.27 -0.40 3.17 3.58 -1.60 0.30 116.42 121.45 1x4j h ASP 54 Ca 0.75 0.06 -0.12 0.00 0.42 0.00 0.00 57.03 58.15 1x4j h ASP 54 Cb 1.87 0.15 -0.01 0.00 1.72 0.00 0.00 39.33 43.05 1x4j h ASP 54 CO -0.58 -0.11 -0.19 0.50 -2.88 0.00 0.00 179.24 175.98 1x4j h LYS 55 N -0.07 0.89 0.59 0.28 3.11 -0.02 -3.03 116.57 118.32 1x4j h LYS 55 Ca 0.09 -0.36 -0.03 0.00 -2.81 0.00 0.00 60.65 57.54 1x4j h LYS 55 Cb 0.20 -0.04 0.01 0.00 -1.00 0.00 0.00 32.23 31.39 1x4j h LYS 55 CO -0.20 1.01 -0.28 2.35 -2.81 0.00 0.00 179.45 179.51 1x4j h TRP 56 N 0.78 -0.73 -1.58 1.91 2.91 -0.61 -2.83 115.95 115.80 1x4j h TRP 56 Ca 0.11 -0.02 0.47 0.00 1.13 0.00 0.00 58.89 60.58 1x4j h TRP 56 Cb 0.74 0.24 -0.08 0.00 -0.51 0.00 0.00 29.16 29.55 1x4j h TRP 56 CO 0.04 -0.46 1.11 -0.07 -1.03 0.00 0.00 178.44 178.04 1x4j h LEU 57 N -0.91 0.07 -0.48 0.65 3.38 -0.46 1.13 115.31 118.69 1x4j h LEU 57 Ca -0.08 0.03 -0.09 0.00 0.09 0.00 0.00 57.88 57.84 1x4j h LEU 57 Cb 0.61 0.03 -0.02 0.00 0.09 0.00 0.00 40.66 41.37 1x4j h LEU 57 CO 0.13 -0.03 -0.03 0.11 0.09 0.00 0.00 178.44 178.70 1x4j h LYS 58 N 0.03 0.87 0.08 1.13 1.57 -1.38 -3.29 116.57 115.59 1x4j h LYS 58 Ca 0.79 -0.29 -0.14 0.00 -1.87 0.00 0.00 60.65 59.14 1x4j h LYS 58 Cb 3.00 -0.07 0.01 0.00 0.08 0.00 0.00 32.23 35.25 1x4j h LYS 58 CO -0.10 0.93 -0.65 0.00 -0.57 0.00 0.00 179.45 179.05 1x4j h ALA 59 N 0.91 -0.00 -3.40 3.86 0.00 0.13 -3.46 119.26 117.30 1x4j h ALA 59 Ca 0.13 -0.72 -0.48 0.00 0.00 0.00 0.00 54.91 53.84 1x4j h ALA 59 Cb 0.56 0.16 -0.34 0.00 0.00 0.00 0.00 17.79 18.17 1x4j h ALA 59 CO 0.03 0.33 -0.80 -0.80 0.00 0.00 0.00 179.25 178.01 1x4j s ASN 60 N -6.72 1.58 -0.08 0.00 0.01 0.89 -5.02 114.94 105.60 1x4j s ASN 60 Ca -0.17 -0.25 0.00 0.00 -0.71 0.00 0.00 52.86 51.73 1x4j s ASN 60 Cb 0.00 -0.71 0.08 0.00 0.41 0.00 0.00 41.25 41.03 1x4j s ASN 60 CO 0.76 -0.01 1.62 -1.14 -1.51 0.00 0.00 177.10 176.82 1x4j n ARG 61 N 4.02 1.22 -4.38 -0.60 0.63 -1.25 -3.52 116.66 112.79 1x4j n ARG 61 Ca -0.22 -0.46 -0.21 0.00 -0.92 0.00 0.00 57.85 56.04 1x4j n ARG 61 Cb 0.51 -1.18 -0.09 0.00 0.45 0.00 0.00 32.46 32.15 1x4j n ARG 61 CO 0.00 0.00 0.00 0.95 -2.51 0.00 0.00 177.63 176.07 1x4j s THR 62 N -0.61 0.34 -0.14 5.15 -4.23 -1.26 -1.85 115.64 113.04 1x4j s THR 62 Ca 0.09 -2.00 -0.20 0.00 -1.18 0.00 0.00 61.69 58.40 1x4j s THR 62 Cb 0.07 -2.46 -0.04 0.00 1.34 0.00 0.00 72.50 71.42 1x4j s THR 62 CO 0.01 0.00 0.57 0.00 -0.54 0.00 0.00 174.62 174.65 1x4j n PRO 64 N 4.20 0.49 0.02 0.00 -0.04 -1.26 -0.04 135.00 138.37 1x4j n PRO 64 Ca -0.04 0.00 -0.01 0.00 -0.04 0.00 0.00 63.50 63.41 1x4j n PRO 64 Cb 0.51 -1.04 -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 -0.54 0.90 -1.12 0.52 5.41 -1.26 -4.81 119.36 118.46 1x4j n ILE 65 Ca 0.01 0.28 0.01 0.00 1.00 0.00 0.00 62.75 64.05 1x4j n ILE 65 Cb 0.00 -1.50 0.26 0.00 -0.71 0.00 0.00 39.64 37.70 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 -0.53 -2.15 -2.46 0.00 1.74 0.94 -4.81 116.66 109.40 1x4j n ARG 67 Ca 0.31 0.00 -0.42 0.00 -0.77 0.00 0.00 57.85 56.97 1x4j n ARG 67 Cb 1.10 -3.97 -0.03 0.00 -1.02 0.00 0.00 32.46 28.54 1x4j n ARG 67 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1x4j s ALA 68 N -1.51 3.37 -0.01 7.54 0.00 -1.25 -4.45 121.76 125.45 1x4j s ALA 68 Ca 0.00 0.82 -0.30 0.00 0.00 0.00 0.00 51.96 52.48 1x4j s ALA 68 Cb 0.00 -3.42 -0.08 0.00 0.00 0.00 0.00 23.12 19.62 1x4j s ALA 68 CO 0.00 -0.39 2.02 0.34 0.00 0.00 0.00 175.76 177.73 1x4j s ASP 69 N 0.89 6.26 -0.06 0.00 2.15 -1.26 -0.50 116.67 124.15 1x4j s ASP 69 Ca 0.57 2.54 -0.02 0.00 0.43 0.00 0.00 52.55 56.06 1x4j s ASP 69 Cb -0.29 -2.53 -0.07 0.00 -0.30 0.00 0.00 42.92 39.74 1x4j s ASP 69 CO 0.30 -1.22 2.61 -1.54 -0.17 0.00 0.00 175.17 175.15 1x4j n SER 70 N 8.30 5.49 -3.68 -0.34 3.41 -0.77 -4.74 113.62 121.29 1x4j n SER 70 Ca 0.22 -2.55 -0.11 0.00 -0.26 0.00 0.00 58.87 56.17 1x4j n SER 70 Cb 0.42 -1.23 -0.12 0.00 -0.26 0.00 0.00 64.21 63.02 1x4j n SER 70 CO 0.00 0.00 0.00 -0.83 -0.16 0.00 0.00 175.04 174.05 1x4j s GLY 71 N 1.72 -0.23 0.42 5.00 0.00 -1.26 -4.97 107.32 107.98 1x4j s GLY 71 Ca 0.30 1.23 0.29 0.00 0.00 0.00 0.00 44.72 46.54 1x4j s GLY 71 CO -0.01 1.90 1.86 -0.56 0.00 0.00 0.00 173.10 176.29 1x4j h PRO 72 N 7.81 0.00 -5.08 2.90 0.13 -2.02 -3.45 132.00 132.29 1x4j h PRO 72 Ca -0.24 0.00 -0.58 0.00 -0.87 0.00 0.00 66.00 64.31 1x4j h PRO 72 Cb 1.13 0.00 -0.13 0.00 0.13 0.00 0.00 31.00 32.13 1x4j h PRO 72 CO 0.21 0.00 -0.52 -1.54 -0.23 0.00 0.00 178.00 175.92 1x4j s SER 73 N -4.99 3.03 -0.02 1.44 1.04 -1.26 -5.16 113.70 107.78 1x4j s SER 73 Ca 0.02 -1.66 0.01 0.00 0.48 0.00 0.00 55.95 54.81 1x4j s SER 73 Cb 0.09 0.47 -0.03 0.00 0.10 0.00 0.00 66.02 66.65 1x4j s SER 73 CO 0.47 -0.90 -0.03 -0.44 0.98 0.00 0.00 173.24 173.32 1x4j s SER 74 N -3.65 4.90 0.00 7.02 0.01 -1.26 -5.09 113.70 115.62 1x4j s SER 74 Ca 0.21 -0.03 0.00 0.00 1.31 0.00 0.00 55.95 57.44 1x4j s SER 74 Cb 0.03 -1.25 0.00 0.00 0.21 0.00 0.00 66.02 65.01 1x4j s SER 74 CO 0.13 0.31 0.00 0.61 0.41 0.00 0.00 173.24 174.69