#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 4.94 0.47 1.61 0.15 -1.26 -5.10 113.70 114.51 1x4j s SER 2 Ca 0.00 -0.80 0.05 0.00 0.70 0.00 0.00 55.95 55.90 1x4j s SER 2 Cb 0.00 -1.82 0.02 0.00 -1.71 0.00 0.00 66.02 62.51 1x4j s SER 2 CO 0.00 -0.19 0.66 -0.94 1.20 0.00 0.00 173.24 173.97 1x4j s SER 3 N 1.44 5.52 -0.43 5.45 1.04 -1.26 -5.00 113.70 120.46 1x4j s SER 3 Ca 0.01 -0.20 -0.27 0.00 0.48 0.00 0.00 55.95 55.97 1x4j s SER 3 Cb -0.17 -0.82 -0.04 0.00 0.10 0.00 0.00 66.02 65.09 1x4j s SER 3 CO 0.01 -0.90 2.08 -0.83 0.98 0.00 0.00 173.24 174.58 1x4j s GLY 4 N -4.37 0.20 -0.46 7.32 0.00 -1.26 -4.93 107.32 103.83 1x4j s GLY 4 Ca 0.55 0.04 -0.16 0.00 0.00 0.00 0.00 44.72 45.15 1x4j s GLY 4 CO 0.35 3.68 0.40 -1.35 0.00 0.00 0.00 173.10 176.18 1x4j s SER 5 N 8.90 6.15 -0.06 1.64 1.04 -1.26 -5.02 113.70 125.09 1x4j s SER 5 Ca 0.86 -1.11 -0.33 0.00 0.48 0.00 0.00 55.95 55.85 1x4j s SER 5 Cb -0.20 -2.19 -0.16 0.00 0.10 0.00 0.00 66.02 63.56 1x4j s SER 5 CO 0.28 -0.62 0.94 -1.20 0.98 0.00 0.00 173.24 173.62 1x4j n SER 6 N 5.34 0.15 0.00 7.02 7.64 -1.26 -4.64 113.62 127.88 1x4j n SER 6 Ca -0.11 0.95 0.00 0.00 1.01 0.00 0.00 58.87 60.72 1x4j n SER 6 Cb 0.45 -0.74 0.00 0.00 -1.01 0.00 0.00 64.21 62.91 1x4j n SER 6 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1x4j n GLY 7 N 1.54 0.14 3.54 0.23 0.00 -1.26 -5.10 105.19 104.27 1x4j n GLY 7 Ca 0.18 -0.07 -0.41 0.00 0.00 0.00 0.00 46.02 45.71 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 -0.99 3.48 0.67 1.61 -0.21 -1.26 -5.06 119.66 117.90 1x4j s GLN 8 Ca 0.00 -0.41 -0.16 0.00 0.02 0.00 0.00 55.36 54.82 1x4j s GLN 8 Cb 0.00 -3.84 0.01 0.00 1.00 0.00 0.00 33.01 30.18 1x4j s GLN 8 CO 0.00 -0.63 1.15 -0.51 -2.12 0.00 0.00 175.29 173.18 1x4j s LEU 9 N 2.17 3.41 0.11 2.90 1.43 -1.26 -4.96 118.68 122.47 1x4j s LEU 9 Ca 0.14 2.15 -0.31 0.00 -1.03 0.00 0.00 54.13 55.08 1x4j s LEU 9 Cb -0.16 -4.57 -0.08 0.00 0.03 0.00 0.00 46.19 41.41 1x4j s LEU 9 CO 0.13 -1.81 1.36 -2.16 0.23 0.00 0.00 176.35 174.09 1x4j s PRO 10 N -3.93 4.34 -0.25 1.29 0.04 -1.26 -5.01 135.00 130.21 1x4j s PRO 10 Ca 0.70 2.03 -0.08 0.00 0.04 0.00 0.00 61.00 63.70 1x4j s PRO 10 Cb -0.24 -3.26 -0.03 0.00 0.04 0.00 0.00 34.50 31.01 1x4j s PRO 10 CO 0.41 -0.41 0.08 -1.54 0.04 0.00 0.00 177.00 175.59 1x4j s SER 11 N 1.08 5.26 0.07 6.66 1.04 -1.26 -4.53 113.70 122.02 1x4j s SER 11 Ca 0.64 -0.17 -0.10 0.00 0.48 0.00 0.00 55.95 56.79 1x4j s SER 11 Cb -0.36 -1.95 0.01 0.00 0.10 0.00 0.00 66.02 63.82 1x4j s SER 11 CO 0.30 -0.03 0.23 -0.72 0.98 0.00 0.00 173.24 174.00 1x4j s TYR 12 N 1.59 0.05 -0.11 5.02 -0.85 -1.26 -5.07 117.35 116.73 1x4j s TYR 12 Ca 0.06 -0.36 -0.16 0.00 -0.52 0.00 0.00 57.07 56.09 1x4j s TYR 12 Cb -0.15 0.00 -0.05 0.00 0.38 0.00 0.00 41.96 42.14 1x4j s TYR 12 CO 0.05 -0.52 0.41 1.03 -1.52 0.00 0.00 175.55 175.00 1x4j s ARG 13 N -3.24 4.23 0.32 -3.49 3.00 -1.26 -3.52 118.95 114.99 1x4j s ARG 13 Ca 0.00 0.34 -0.29 0.00 0.00 0.00 0.00 55.73 55.78 1x4j s ARG 13 Cb 0.02 -3.39 -0.12 0.00 0.00 0.00 0.00 34.95 31.46 1x4j s ARG 13 CO -0.08 0.29 1.40 0.34 0.00 0.00 0.00 175.30 177.25 1x4j n PHE 14 N 3.28 2.49 -3.75 -0.53 -0.00 -1.24 -4.82 117.46 112.89 1x4j n PHE 14 Ca -0.10 0.46 -0.38 0.00 -0.00 0.00 0.00 57.45 57.44 1x4j n PHE 14 Cb 0.52 -2.48 -0.12 0.00 -0.00 0.00 0.00 39.48 37.40 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 5.21 0.00 -2.13 -0.87 -1.26 -3.70 114.94 112.15 1x4j s ASN 15 Ca 0.59 -0.80 0.12 0.00 -1.57 0.00 0.00 52.86 51.20 1x4j s ASN 15 Cb -0.55 -1.89 0.71 0.00 -0.02 0.00 0.00 41.25 39.50 1x4j s ASN 15 CO 0.58 -0.23 1.14 -0.81 -2.57 0.00 0.00 177.10 175.22 1x4j n PRO 16 N 4.87 0.49 0.02 -0.60 -0.04 -1.26 -2.37 135.00 136.10 1x4j n PRO 16 Ca -0.14 0.00 -0.02 0.00 -0.04 0.00 0.00 63.50 63.30 1x4j n PRO 16 Cb 0.47 -1.38 -0.01 0.00 -0.04 0.00 0.00 33.50 32.54 1x4j n PRO 16 CO 0.00 0.00 0.00 -1.71 -0.04 0.00 0.00 175.50 173.75 1x4j n ASN 17 N -0.88 1.18 0.09 3.54 5.15 -1.26 -4.81 115.26 118.27 1x4j n ASN 17 Ca 0.09 0.16 -0.12 0.00 -0.60 0.00 0.00 54.58 54.12 1x4j n ASN 17 Cb 0.04 -0.39 -0.05 0.00 -0.53 0.00 0.00 39.78 38.85 1x4j n ASN 17 CO 0.00 0.00 0.00 0.78 1.40 0.00 0.00 177.26 179.44 1x4j h ASN 18 N -0.19 -0.64 -0.20 1.20 4.21 -1.99 -3.42 115.58 114.56 1x4j h ASN 18 Ca -0.01 0.08 -0.68 0.00 1.21 0.00 0.00 56.30 56.90 1x4j h ASN 18 Cb 0.29 0.25 -0.02 0.00 -1.12 0.00 0.00 38.32 37.71 1x4j h ASN 18 CO -0.01 -0.30 1.00 1.41 -1.29 0.00 0.00 177.43 178.25 1x4j n HIS 19 N -5.35 1.11 0.08 1.19 8.25 -1.00 -4.84 115.22 114.67 1x4j n HIS 19 Ca -0.06 0.73 -0.04 0.00 -0.26 0.00 0.00 57.72 58.09 1x4j n HIS 19 Cb 0.26 -1.95 -0.02 0.00 1.12 0.00 0.00 29.99 29.40 1x4j n HIS 19 CO 0.00 0.00 0.00 0.37 0.64 0.00 0.00 176.34 177.35 1x4j h GLN 20 N 6.91 -0.28 -7.45 -0.41 4.15 -1.91 -3.47 115.11 112.65 1x4j h GLN 20 Ca -0.15 0.02 -0.48 0.00 0.77 0.00 0.00 58.65 58.81 1x4j h GLN 20 Cb 1.20 0.06 0.12 0.00 0.21 0.00 0.00 27.48 29.07 1x4j h GLN 20 CO 0.91 -0.19 0.33 -1.54 -1.93 0.00 0.00 178.83 176.41 1x4j s SER 21 N -4.86 4.17 0.00 -0.69 1.04 -1.26 -5.00 113.70 107.11 1x4j s SER 21 Ca -0.04 1.15 0.00 0.00 0.48 0.00 0.00 55.95 57.54 1x4j s SER 21 Cb 0.00 -1.82 0.00 0.00 0.10 0.00 0.00 66.02 64.30 1x4j s SER 21 CO 0.13 -2.15 0.60 -1.84 0.98 0.00 0.00 173.24 170.95 1x4j n GLU 22 N -3.53 -0.02 0.01 4.02 0.28 -1.26 -4.62 120.64 115.53 1x4j n GLU 22 Ca 0.07 -0.72 0.09 0.00 -0.16 0.00 0.00 57.16 56.44 1x4j n GLU 22 Cb 0.58 -0.98 0.40 0.00 1.43 0.00 0.00 31.44 32.87 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 -0.12 0.02 -1.98 3.44 -0.00 -1.26 -4.65 117.38 112.83 1x4j n GLN 23 Ca 0.00 0.21 -0.38 0.00 -0.00 0.00 0.00 57.00 56.83 1x4j n GLN 23 Cb 0.07 -1.54 -0.03 0.00 -0.00 0.00 0.00 30.24 28.74 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 -3.03 3.31 -0.00 -0.39 -1.32 -1.26 -4.93 115.64 108.02 1x4j s THR 24 Ca 0.08 0.17 -0.04 0.00 -1.21 0.00 0.00 61.69 60.69 1x4j s THR 24 Cb 0.12 -3.83 -0.00 0.00 -1.51 0.00 0.00 72.50 67.27 1x4j s THR 24 CO 0.35 -0.80 0.08 -0.22 -2.21 0.00 0.00 174.62 171.81 1x4j s LEU 25 N 9.47 1.76 -0.65 9.08 0.20 -1.26 -4.37 118.68 132.92 1x4j s LEU 25 Ca 0.71 -0.21 -0.26 0.00 0.69 0.00 0.00 54.13 55.06 1x4j s LEU 25 Cb -0.13 0.44 -0.02 0.00 -0.43 0.00 0.00 46.19 46.05 1x4j s LEU 25 CO 0.21 -0.28 1.85 0.00 -0.29 0.00 0.00 176.35 177.84 1x4j h VAL 27 N 6.91 0.32 0.36 0.00 3.04 -1.86 0.68 116.25 125.69 1x4j h VAL 27 Ca -0.22 0.00 -0.02 0.00 -1.01 0.00 0.00 66.70 65.45 1x4j h VAL 27 Cb 1.14 0.95 0.00 0.00 -2.01 0.00 0.00 31.29 31.38 1x4j h VAL 27 CO 1.22 0.00 -0.17 0.58 -1.01 0.00 0.00 177.57 178.19 1x4j h VAL 28 N 0.00 0.00 -0.57 1.51 2.07 -1.91 -3.28 116.25 114.07 1x4j h VAL 28 Ca 0.02 -0.10 -0.03 0.00 0.82 0.00 0.00 66.70 67.40 1x4j h VAL 28 Cb 0.13 0.00 -0.02 0.00 -1.52 0.00 0.00 31.29 29.88 1x4j h VAL 28 CO -0.00 0.00 0.04 0.00 0.02 0.00 0.00 177.57 177.63 1x4j n MET 30 N 0.49 -1.99 -4.75 0.00 0.00 0.24 -4.86 117.12 106.24 1x4j n MET 30 Ca 0.28 0.05 -0.32 0.00 0.00 0.00 0.00 57.70 57.71 1x4j n MET 30 Cb 1.18 -3.98 -0.12 0.00 0.00 0.00 0.00 33.22 30.30 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 1.95 -3.22 -4.34 0.00 8.00 -1.26 -1.42 116.55 116.26 1x4j n ASP 32 Ca -0.16 -0.54 -0.41 0.00 0.71 0.00 0.00 54.79 54.39 1x4j n ASP 32 Cb 0.52 -1.02 -0.11 0.00 -0.02 0.00 0.00 41.12 40.50 1x4j n ASP 32 CO 0.00 0.00 0.00 -0.36 -0.39 0.00 0.00 177.20 176.45 1x4j s PHE 33 N -2.19 3.27 1.27 1.24 0.08 -1.26 -4.60 117.98 115.79 1x4j s PHE 33 Ca 0.61 -1.15 -0.18 0.00 0.12 0.00 0.00 56.93 56.32 1x4j s PHE 33 Cb -0.14 -2.64 0.31 0.00 -0.57 0.00 0.00 43.02 39.98 1x4j s PHE 33 CO 0.56 -0.73 1.01 -1.21 -0.10 0.00 0.00 175.22 174.75 1x4j s GLU 34 N 1.52 -1.76 0.62 0.44 8.01 -1.26 -4.95 118.70 121.30 1x4j s GLU 34 Ca 0.02 0.29 -0.03 0.00 0.01 0.00 0.00 54.97 55.27 1x4j s GLU 34 Cb -0.21 -1.50 0.04 0.00 -4.31 0.00 0.00 34.13 28.15 1x4j s GLU 34 CO 0.05 -4.15 0.88 -1.12 0.01 0.00 0.00 175.26 170.94 1x4j s SER 35 N -3.18 5.12 -0.96 -0.19 0.01 -1.26 -4.37 113.70 108.85 1x4j s SER 35 Ca 0.69 0.24 -0.08 0.00 1.31 0.00 0.00 55.95 58.11 1x4j s SER 35 Cb -0.16 -1.05 0.01 0.00 0.21 0.00 0.00 66.02 65.03 1x4j s SER 35 CO 0.59 -1.32 0.15 -2.11 0.41 0.00 0.00 173.24 170.97 1x4j n ARG 36 N -2.60 -0.80 -4.58 12.44 -4.01 -1.24 -4.90 116.66 110.97 1x4j n ARG 36 Ca 0.07 -0.01 -0.22 0.00 -1.04 0.00 0.00 57.85 56.66 1x4j n ARG 36 Cb 0.60 -2.03 -0.15 0.00 -3.04 0.00 0.00 32.46 27.84 1x4j n ARG 36 CO 0.00 0.00 0.00 -0.65 -3.04 0.00 0.00 177.63 173.94 1x4j s GLN 37 N -6.19 1.08 -0.56 2.89 -1.52 -1.26 -5.00 119.66 109.09 1x4j s GLN 37 Ca 0.11 -0.46 -0.27 0.00 -1.95 0.00 0.00 55.36 52.79 1x4j s GLN 37 Cb -0.06 -1.03 -0.00 0.00 -0.22 0.00 0.00 33.01 31.70 1x4j s GLN 37 CO 0.66 0.26 1.59 -1.17 -0.25 0.00 0.00 175.29 176.39 1x4j s LEU 38 N -0.25 3.36 0.06 2.90 2.96 -1.26 -3.69 118.68 122.75 1x4j s LEU 38 Ca 0.04 0.36 0.07 0.00 -0.22 0.00 0.00 54.13 54.38 1x4j s LEU 38 Cb -0.06 -2.90 -0.04 0.00 0.50 0.00 0.00 46.19 43.70 1x4j s LEU 38 CO -0.00 -1.94 -0.14 -0.76 -1.32 0.00 0.00 176.35 172.19 1x4j s LEU 39 N 7.10 2.81 -0.24 -0.68 1.43 -1.23 -2.81 118.68 125.07 1x4j s LEU 39 Ca 0.59 -0.39 -0.08 0.00 -1.03 0.00 0.00 54.13 53.22 1x4j s LEU 39 Cb -0.13 -1.64 -0.04 0.00 0.03 0.00 0.00 46.19 44.42 1x4j s LEU 39 CO 0.24 0.23 0.09 -0.13 0.23 0.00 0.00 176.35 177.01 1x4j s ARG 40 N -1.71 3.78 -0.46 1.70 1.81 0.19 -4.25 118.95 120.02 1x4j s ARG 40 Ca 0.17 -0.42 -0.19 0.00 -1.72 0.00 0.00 55.73 53.58 1x4j s ARG 40 Cb -0.11 -3.37 0.04 0.00 -0.45 0.00 0.00 34.95 31.06 1x4j s ARG 40 CO 0.08 -0.09 0.55 0.08 -0.68 0.00 0.00 175.30 175.24 1x4j s VAL 41 N 1.38 4.96 0.89 3.52 1.01 -1.26 -0.47 120.40 130.44 1x4j s VAL 41 Ca 0.06 -0.32 -0.13 0.00 0.00 0.00 0.00 61.98 61.59 1x4j s VAL 41 Cb -0.15 -4.17 0.06 0.00 0.00 0.00 0.00 36.38 32.12 1x4j s VAL 41 CO 0.05 -0.60 0.71 0.18 0.00 0.00 0.00 175.10 175.43 1x4j n LEU 42 N 5.94 1.40 0.00 3.92 4.77 0.24 -4.82 117.00 128.44 1x4j n LEU 42 Ca -0.06 0.42 0.04 0.00 -0.03 0.00 0.00 56.01 56.38 1x4j n LEU 42 Cb 0.47 -1.31 0.24 0.00 -2.33 0.00 0.00 43.42 40.48 1x4j n LEU 42 CO 0.51 -2.95 0.46 -0.81 -1.33 0.00 0.00 177.39 173.27 1x4j n PRO 43 N -2.39 0.49 -0.59 3.23 -0.04 -1.26 -2.33 135.00 132.10 1x4j n PRO 43 Ca 0.09 0.00 0.03 0.00 -0.04 0.00 0.00 63.50 63.59 1x4j n PRO 43 Cb 0.52 -1.25 0.24 0.00 -0.04 0.00 0.00 33.50 32.97 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 -0.71 -2.50 -3.98 0.00 4.13 -0.98 -5.03 115.26 106.18 1x4j n ASN 45 Ca 0.27 -0.51 -0.18 0.00 1.68 0.00 0.00 54.58 55.83 1x4j n ASN 45 Cb 0.98 -4.37 -0.15 0.00 -1.54 0.00 0.00 39.78 34.70 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 -3.30 0.74 0.11 3.10 3.76 -1.23 -4.98 115.29 113.49 1x4j s HIS 46 Ca 0.06 -0.16 -0.13 0.00 -0.15 0.00 0.00 55.06 54.69 1x4j s HIS 46 Cb -0.03 -0.52 -0.06 0.00 1.11 0.00 0.00 32.58 33.07 1x4j s HIS 46 CO 0.61 -0.06 0.48 -1.21 -0.85 0.00 0.00 174.74 173.72 1x4j s GLU 47 N 0.10 3.89 0.19 1.40 2.02 -1.26 0.79 118.70 125.83 1x4j s GLU 47 Ca -0.01 0.37 -0.13 0.00 0.02 0.00 0.00 54.97 55.22 1x4j s GLU 47 Cb -0.06 -2.97 0.00 0.00 0.10 0.00 0.00 34.13 31.20 1x4j s GLU 47 CO -0.00 0.52 0.40 -0.06 0.02 0.00 0.00 175.26 176.14 1x4j s PHE 48 N -1.42 0.22 -0.18 1.61 0.08 0.39 -4.54 117.98 114.13 1x4j s PHE 48 Ca 0.35 -0.57 -0.23 0.00 0.12 0.00 0.00 56.93 56.60 1x4j s PHE 48 Cb -0.15 0.14 -0.02 0.00 -0.57 0.00 0.00 43.02 42.42 1x4j s PHE 48 CO 0.18 -0.84 0.71 -1.01 -0.10 0.00 0.00 175.22 174.17 1x4j s HIS 49 N -3.95 3.40 0.56 0.36 3.76 -1.26 0.55 115.29 118.72 1x4j s HIS 49 Ca 0.15 1.07 0.41 0.00 -0.15 0.00 0.00 55.06 56.55 1x4j s HIS 49 Cb 0.01 -2.88 1.56 0.00 1.11 0.00 0.00 32.58 32.38 1x4j s HIS 49 CO 0.01 -0.19 1.65 0.00 -0.85 0.00 0.00 174.74 175.36 1x4j h ALA 50 N 7.39 3.40 0.00 -1.40 0.00 -1.83 0.18 119.26 127.00 1x4j h ALA 50 Ca -0.31 -0.05 -0.14 0.00 0.00 0.00 0.00 54.91 54.41 1x4j h ALA 50 Cb 1.14 0.11 -0.02 0.00 0.00 0.00 0.00 17.79 19.02 1x4j h ALA 50 CO 0.80 -1.91 -0.76 1.57 0.00 0.00 0.00 179.25 178.96 1x4j h LYS 51 N 0.00 0.00 0.01 0.00 2.10 -1.91 -3.30 116.57 113.46 1x4j h LYS 51 Ca 0.71 0.00 -0.00 0.00 -2.00 0.00 0.00 60.65 59.36 1x4j h LYS 51 Cb 2.98 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 34.31 1x4j h LYS 51 CO -0.01 0.94 -0.00 0.00 -2.00 0.00 0.00 179.45 178.38 1x4j n VAL 53 N -2.03 -0.35 -0.08 0.00 3.14 0.19 0.13 118.33 119.33 1x4j n VAL 53 Ca -0.00 1.84 -0.08 0.00 -2.96 0.00 0.00 64.34 63.14 1x4j n VAL 53 Cb 0.00 -2.99 -0.01 0.00 -1.06 0.00 0.00 33.84 29.79 1x4j n VAL 53 CO 0.00 0.00 0.00 0.44 -6.46 0.00 0.00 176.83 170.81 1x4j h ASP 54 N 0.00 0.20 -0.65 6.55 5.19 -1.60 0.16 116.42 126.26 1x4j h ASP 54 Ca 0.80 0.02 -0.06 0.00 -0.62 0.00 0.00 57.03 57.16 1x4j h ASP 54 Cb 2.22 -0.02 -0.03 0.00 0.18 0.00 0.00 39.33 41.69 1x4j h ASP 54 CO -0.65 0.15 0.16 0.50 -3.12 0.00 0.00 179.24 176.28 1x4j h LYS 55 N 0.29 1.04 0.36 3.56 3.64 0.14 -2.72 116.57 122.89 1x4j h LYS 55 Ca 0.12 -0.25 -0.02 0.00 -1.27 0.00 0.00 60.65 59.24 1x4j h LYS 55 Cb 0.05 -0.14 0.00 0.00 -0.41 0.00 0.00 32.23 31.74 1x4j h LYS 55 CO -0.10 0.94 -0.17 2.35 -2.27 0.00 0.00 179.45 180.20 1x4j h TRP 56 N 0.97 -0.45 -1.59 1.91 2.91 -0.92 -2.97 115.95 115.81 1x4j h TRP 56 Ca 0.21 -0.01 0.48 0.00 1.13 0.00 0.00 58.89 60.70 1x4j h TRP 56 Cb 0.36 0.15 -0.10 0.00 -0.51 0.00 0.00 29.16 29.06 1x4j h TRP 56 CO 0.03 -0.28 1.10 -0.07 -1.03 0.00 0.00 178.44 178.18 1x4j h LEU 57 N -0.61 0.11 -0.58 0.65 3.38 -0.76 1.31 115.31 118.82 1x4j h LEU 57 Ca -0.05 0.06 -0.06 0.00 0.09 0.00 0.00 57.88 57.92 1x4j h LEU 57 Cb 0.37 0.06 -0.02 0.00 0.09 0.00 0.00 40.66 41.16 1x4j h LEU 57 CO 0.08 -0.09 0.11 0.11 0.09 0.00 0.00 178.44 178.75 1x4j h LYS 58 N 0.04 0.94 0.08 1.13 1.57 -1.35 -3.26 116.57 115.72 1x4j h LYS 58 Ca 0.84 -0.24 -0.15 0.00 -1.87 0.00 0.00 60.65 59.23 1x4j h LYS 58 Cb 3.06 -0.12 0.00 0.00 0.08 0.00 0.00 32.23 35.26 1x4j h LYS 58 CO -0.20 0.89 -0.72 0.00 -0.57 0.00 0.00 179.45 178.85 1x4j h ALA 59 N 1.01 0.03 -3.27 3.86 0.00 0.17 -3.45 119.26 117.60 1x4j h ALA 59 Ca 0.18 -0.76 -0.50 0.00 0.00 0.00 0.00 54.91 53.82 1x4j h ALA 59 Cb 0.39 0.21 -0.36 0.00 0.00 0.00 0.00 17.79 18.03 1x4j h ALA 59 CO 0.01 0.38 -0.80 -0.80 0.00 0.00 0.00 179.25 178.04 1x4j s ASN 60 N -6.74 1.91 0.00 0.00 0.01 0.77 -5.02 114.94 105.87 1x4j s ASN 60 Ca -0.18 -0.26 -0.04 0.00 -0.71 0.00 0.00 52.86 51.66 1x4j s ASN 60 Cb 0.01 -0.76 -0.19 0.00 0.41 0.00 0.00 41.25 40.71 1x4j s ASN 60 CO 0.75 -0.08 3.05 0.54 -1.51 0.00 0.00 177.10 179.84 1x4j n ARG 61 N 4.60 1.64 -4.10 -0.60 1.74 -1.24 -3.58 116.66 115.13 1x4j n ARG 61 Ca -0.16 -0.71 -0.13 0.00 -0.77 0.00 0.00 57.85 56.09 1x4j n ARG 61 Cb 0.50 -1.74 -0.06 0.00 -1.02 0.00 0.00 32.46 30.15 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 0.88 0.00 -0.16 0.55 -4.23 -1.26 -3.70 115.64 107.71 1x4j s THR 62 Ca 0.47 -1.67 -0.23 0.00 -1.18 0.00 0.00 61.69 59.09 1x4j s THR 62 Cb 0.23 -2.47 -0.02 0.00 1.34 0.00 0.00 72.50 71.58 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 4.90 0.49 0.02 0.00 -0.04 -1.26 0.12 135.00 139.23 1x4j n PRO 64 Ca 0.01 0.00 -0.01 0.00 -0.04 0.00 0.00 63.50 63.46 1x4j n PRO 64 Cb 0.50 -1.04 -0.00 0.00 -0.04 0.00 0.00 33.50 32.92 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 1.06 -1.11 0.52 5.41 -1.26 -4.81 119.36 118.63 1x4j n ILE 65 Ca 0.01 0.31 0.03 0.00 1.00 0.00 0.00 62.75 64.10 1x4j n ILE 65 Cb 0.00 -1.61 0.26 0.00 -0.71 0.00 0.00 39.64 37.58 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 -0.58 -2.56 -3.01 0.00 5.12 0.12 -4.81 116.66 110.94 1x4j n ARG 67 Ca 0.28 0.00 -0.41 0.00 -1.93 0.00 0.00 57.85 55.79 1x4j n ARG 67 Cb 1.02 -3.59 -0.05 0.00 -1.16 0.00 0.00 32.46 28.68 1x4j n ARG 67 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70 1x4j s ALA 68 N -1.58 3.55 0.19 7.54 0.00 -1.25 -4.55 121.76 125.65 1x4j s ALA 68 Ca 0.00 -0.16 -0.32 0.00 0.00 0.00 0.00 51.96 51.49 1x4j s ALA 68 Cb 0.00 -3.10 -0.16 0.00 0.00 0.00 0.00 23.12 19.87 1x4j s ALA 68 CO 0.00 -0.64 1.10 -3.47 0.00 0.00 0.00 175.76 172.75 1x4j n ASP 69 N 5.24 1.15 0.04 0.00 -0.08 -1.26 -2.17 116.55 119.47 1x4j n ASP 69 Ca 0.01 1.15 -0.22 0.00 -1.51 0.00 0.00 54.79 54.22 1x4j n ASP 69 Cb 0.49 -1.20 -0.14 0.00 2.34 0.00 0.00 41.12 42.60 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 3.01 0.53 0.00 1.67 0.87 -1.89 -3.47 113.55 114.27 1x4j h SER 70 Ca -0.42 -0.94 0.00 0.00 -1.23 0.00 0.00 61.79 59.20 1x4j h SER 70 Cb 1.35 -0.17 0.00 0.00 -0.44 0.00 0.00 62.40 63.14 1x4j h SER 70 CO 0.68 1.80 0.00 0.61 -0.53 0.00 0.00 176.83 179.39 1x4j n GLY 71 N 1.90 2.41 0.00 5.77 0.00 -1.26 -4.84 105.19 109.17 1x4j n GLY 71 Ca -0.27 0.31 0.06 0.00 0.00 0.00 0.00 46.02 46.12 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 -1.29 1.61 -0.04 -1.26 -4.87 135.00 129.64 1x4j n PRO 72 Ca 0.00 0.00 -0.50 0.00 -0.04 0.00 0.00 63.50 62.96 1x4j n PRO 72 Cb 0.00 -1.41 -0.08 0.00 -0.04 0.00 0.00 33.50 31.98 1x4j n PRO 72 CO 0.00 0.00 0.00 0.43 -0.04 0.00 0.00 175.50 175.89 1x4j n SER 73 N -0.91 0.89 -0.06 3.54 7.64 -1.26 -4.78 113.62 118.68 1x4j n SER 73 Ca 0.10 0.87 0.02 0.00 1.01 0.00 0.00 58.87 60.86 1x4j n SER 73 Cb 0.04 -0.66 0.33 0.00 -1.01 0.00 0.00 64.21 62.92 1x4j n SER 73 CO 0.00 0.00 0.00 0.77 -3.01 0.00 0.00 175.04 172.80 1x4j h SER 74 N 3.85 0.60 0.00 6.43 4.64 -2.06 -3.55 113.55 123.45 1x4j h SER 74 Ca -0.32 -0.04 0.00 0.00 -0.47 0.00 0.00 61.79 60.96 1x4j h SER 74 Cb 1.02 -0.15 0.00 0.00 -0.31 0.00 0.00 62.40 62.96 1x4j h SER 74 CO 0.73 0.50 0.00 0.61 -0.87 0.00 0.00 176.83 177.80