#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 6.82 -0.09 1.61 0.01 -1.26 -5.09 113.70 115.71 1x4j s SER 2 Ca 0.00 1.32 -0.07 0.00 1.31 0.00 0.00 55.95 58.51 1x4j s SER 2 Cb 0.00 -2.39 0.03 0.00 0.21 0.00 0.00 66.02 63.87 1x4j s SER 2 CO 0.00 -0.18 0.24 -0.55 0.41 0.00 0.00 173.24 173.16 1x4j s SER 3 N -2.18 -0.25 -0.59 2.44 0.15 -1.26 -5.05 113.70 106.96 1x4j s SER 3 Ca 0.53 0.48 0.01 0.00 0.70 0.00 0.00 55.95 57.67 1x4j s SER 3 Cb -0.11 0.46 0.43 0.00 -1.71 0.00 0.00 66.02 65.09 1x4j s SER 3 CO 0.18 -0.10 1.75 0.61 1.20 0.00 0.00 173.24 176.88 1x4j n GLY 4 N 3.23 5.95 3.38 9.45 0.00 -1.26 -4.90 105.19 121.04 1x4j n GLY 4 Ca -0.15 -2.47 -0.45 0.00 0.00 0.00 0.00 46.02 42.94 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 -2.26 6.87 0.12 1.61 1.04 -1.26 -5.02 113.70 114.80 1x4j s SER 5 Ca 0.58 -2.71 0.03 0.00 0.48 0.00 0.00 55.95 54.33 1x4j s SER 5 Cb 0.46 -2.29 -0.04 0.00 0.10 0.00 0.00 66.02 64.26 1x4j s SER 5 CO -0.10 -0.68 0.17 -0.44 0.98 0.00 0.00 173.24 173.17 1x4j s SER 6 N 2.50 5.82 0.00 7.02 0.01 -1.26 -4.89 113.70 122.90 1x4j s SER 6 Ca 0.27 0.02 0.00 0.00 1.31 0.00 0.00 55.95 57.56 1x4j s SER 6 Cb -0.08 -1.63 0.00 0.00 0.21 0.00 0.00 66.02 64.52 1x4j s SER 6 CO -0.08 0.11 0.00 0.61 0.41 0.00 0.00 173.24 174.29 1x4j n GLY 7 N -0.10 -1.02 3.30 3.44 0.00 -1.26 -5.13 105.19 104.43 1x4j n GLY 7 Ca -0.08 0.35 -0.27 0.00 0.00 0.00 0.00 46.02 46.02 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 1.42 0.72 1.61 -1.52 -1.26 -4.42 119.66 116.21 1x4j s GLN 8 Ca 0.00 -1.09 -0.16 0.00 -1.95 0.00 0.00 55.36 52.16 1x4j s GLN 8 Cb 0.00 -1.64 0.01 0.00 -0.22 0.00 0.00 33.01 31.16 1x4j s GLN 8 CO 0.00 0.41 1.04 1.28 -0.25 0.00 0.00 175.29 177.77 1x4j n LEU 9 N 1.52 3.96 -4.76 2.90 4.77 -1.26 -4.93 117.00 119.21 1x4j n LEU 9 Ca -0.18 0.68 -0.41 0.00 -0.03 0.00 0.00 56.01 56.08 1x4j n LEU 9 Cb 0.53 -1.44 -0.03 0.00 -2.33 0.00 0.00 43.42 40.15 1x4j n LEU 9 CO 0.23 -1.85 0.93 -2.16 -1.33 0.00 0.00 177.39 173.21 1x4j s PRO 10 N -3.41 4.44 -0.07 3.23 0.04 -1.26 -5.04 135.00 132.94 1x4j s PRO 10 Ca 0.75 2.05 0.04 0.00 0.04 0.00 0.00 61.00 63.88 1x4j s PRO 10 Cb -0.35 -3.14 -0.02 0.00 0.04 0.00 0.00 34.50 31.04 1x4j s PRO 10 CO 0.49 -0.10 -0.19 -1.54 0.04 0.00 0.00 177.00 175.70 1x4j s SER 11 N -0.33 3.56 -0.14 6.66 1.04 -1.26 -4.22 113.70 119.01 1x4j s SER 11 Ca 0.50 -0.37 -0.27 0.00 0.48 0.00 0.00 55.95 56.29 1x4j s SER 11 Cb -0.37 -0.95 0.07 0.00 0.10 0.00 0.00 66.02 64.87 1x4j s SER 11 CO 0.45 0.27 0.67 -0.72 0.98 0.00 0.00 173.24 174.89 1x4j s TYR 12 N -0.29 -0.68 0.09 5.02 -0.85 -1.25 -5.05 117.35 114.33 1x4j s TYR 12 Ca 0.01 1.41 -0.21 0.00 -0.52 0.00 0.00 57.07 57.76 1x4j s TYR 12 Cb -0.13 0.33 -0.07 0.00 0.38 0.00 0.00 41.96 42.48 1x4j s TYR 12 CO 0.03 -0.50 0.63 1.03 -1.52 0.00 0.00 175.55 175.22 1x4j s ARG 13 N -0.52 4.32 0.01 -3.49 0.52 -1.26 -3.47 118.95 115.06 1x4j s ARG 13 Ca -0.06 0.86 -0.30 0.00 -0.52 0.00 0.00 55.73 55.70 1x4j s ARG 13 Cb -0.02 -3.26 -0.08 0.00 0.52 0.00 0.00 34.95 32.11 1x4j s ARG 13 CO 0.06 0.58 1.80 0.12 0.02 0.00 0.00 175.30 177.88 1x4j s PHE 14 N -0.98 1.73 -0.52 -0.53 2.19 -1.25 -4.91 117.98 113.70 1x4j s PHE 14 Ca 0.31 -0.10 -0.17 0.00 0.33 0.00 0.00 56.93 57.31 1x4j s PHE 14 Cb -0.20 -4.08 0.09 0.00 -1.31 0.00 0.00 43.02 37.52 1x4j s PHE 14 CO 0.21 -4.68 0.54 -0.80 1.83 0.00 0.00 175.22 172.31 1x4j s ASN 15 N 3.67 6.18 0.00 6.13 0.01 -1.26 -3.68 114.94 125.99 1x4j s ASN 15 Ca 0.81 -1.40 0.10 0.00 -0.71 0.00 0.00 52.86 51.66 1x4j s ASN 15 Cb -0.39 -2.24 0.60 0.00 0.41 0.00 0.00 41.25 39.63 1x4j s ASN 15 CO 0.36 -0.86 1.04 -0.81 -1.51 0.00 0.00 177.10 175.32 1x4j n PRO 16 N 5.65 0.49 -0.06 -0.60 -0.04 -1.26 -2.94 135.00 136.25 1x4j n PRO 16 Ca -0.11 0.00 -0.20 0.00 -0.04 0.00 0.00 63.50 63.15 1x4j n PRO 16 Cb 0.43 -1.32 -0.13 0.00 -0.04 0.00 0.00 33.50 32.44 1x4j n PRO 16 CO 0.00 0.00 0.00 -0.91 -0.04 0.00 0.00 175.50 174.55 1x4j h ASN 17 N 0.00 0.14 -1.05 3.54 2.35 -2.02 -3.48 115.58 115.05 1x4j h ASN 17 Ca 0.00 -0.73 0.20 0.00 -0.55 0.00 0.00 56.30 55.22 1x4j h ASN 17 Cb 0.00 -0.04 -0.27 0.00 0.05 0.00 0.00 38.32 38.06 1x4j h ASN 17 CO 0.00 1.45 0.41 0.21 -1.65 0.00 0.00 177.43 177.86 1x4j s ASN 18 N -6.80 -0.34 0.44 5.81 3.84 -1.15 -5.18 114.94 111.56 1x4j s ASN 18 Ca -0.24 0.48 0.07 0.00 0.21 0.00 0.00 52.86 53.38 1x4j s ASN 18 Cb 0.04 1.33 -0.02 0.00 -0.55 0.00 0.00 41.25 42.04 1x4j s ASN 18 CO 0.67 -0.07 0.28 -2.28 -2.79 0.00 0.00 177.10 172.92 1x4j s HIS 19 N 2.00 2.45 0.09 0.43 5.65 -1.26 -4.87 115.29 119.78 1x4j s HIS 19 Ca -0.03 -0.61 -0.02 0.00 0.25 0.00 0.00 55.06 54.65 1x4j s HIS 19 Cb -0.04 -2.02 -0.25 0.00 -1.18 0.00 0.00 32.58 29.09 1x4j s HIS 19 CO -0.16 -0.03 1.18 -0.56 -0.65 0.00 0.00 174.74 174.52 1x4j h GLN 20 N 1.17 0.22 -5.13 2.88 3.07 -2.03 -3.47 115.11 111.83 1x4j h GLN 20 Ca -0.41 -0.37 -0.60 0.00 0.09 0.00 0.00 58.65 57.36 1x4j h GLN 20 Cb 1.27 0.13 -0.13 0.00 0.08 0.00 0.00 27.48 28.83 1x4j h GLN 20 CO 0.64 1.16 -0.52 -1.54 0.09 0.00 0.00 178.83 178.66 1x4j s SER 21 N -7.06 3.30 0.00 0.06 1.04 -1.26 -5.06 113.70 104.72 1x4j s SER 21 Ca -0.03 -1.64 0.00 0.00 0.48 0.00 0.00 55.95 54.76 1x4j s SER 21 Cb 0.08 0.45 0.00 0.00 0.10 0.00 0.00 66.02 66.65 1x4j s SER 21 CO 0.87 -0.87 0.74 -1.84 0.98 0.00 0.00 173.24 173.11 1x4j n GLU 22 N -1.03 1.46 -1.50 4.02 0.28 -1.26 -4.78 120.64 117.82 1x4j n GLU 22 Ca -0.11 -0.98 -0.34 0.00 -0.16 0.00 0.00 57.16 55.57 1x4j n GLU 22 Cb 0.66 -0.76 0.07 0.00 1.43 0.00 0.00 31.44 32.83 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 -0.25 2.84 -2.73 3.44 10.64 -1.26 -4.94 117.38 125.12 1x4j n GLN 23 Ca 0.00 -3.46 -0.42 0.00 -1.83 0.00 0.00 57.00 51.29 1x4j n GLN 23 Cb 0.36 -2.29 -0.03 0.00 -0.86 0.00 0.00 30.24 27.41 1x4j n GLN 23 CO 0.00 0.00 0.00 0.95 -1.83 0.00 0.00 177.06 176.18 1x4j s THR 24 N -4.83 4.08 -0.01 -0.39 -4.23 -1.26 -4.87 115.64 104.12 1x4j s THR 24 Ca 0.62 -0.02 -0.05 0.00 -1.18 0.00 0.00 61.69 61.05 1x4j s THR 24 Cb 0.49 -4.77 0.00 0.00 1.34 0.00 0.00 72.50 69.56 1x4j s THR 24 CO -0.04 -1.60 0.11 -0.22 -0.54 0.00 0.00 174.62 172.33 1x4j s LEU 25 N 4.73 1.62 -0.56 4.79 0.20 -1.26 -4.39 118.68 123.81 1x4j s LEU 25 Ca 0.28 -0.07 -0.16 0.00 0.69 0.00 0.00 54.13 54.87 1x4j s LEU 25 Cb -0.13 0.52 0.13 0.00 -0.43 0.00 0.00 46.19 46.28 1x4j s LEU 25 CO 0.13 -0.24 0.53 0.00 -0.29 0.00 0.00 176.35 176.47 1x4j h VAL 27 N 5.82 0.85 0.13 0.00 3.04 -1.87 1.51 116.25 125.74 1x4j h VAL 27 Ca -0.27 -0.16 0.00 0.00 -1.01 0.00 0.00 66.70 65.27 1x4j h VAL 27 Cb 1.10 0.36 -0.02 0.00 -2.01 0.00 0.00 31.29 30.71 1x4j h VAL 27 CO 1.02 0.08 -0.29 0.58 -1.01 0.00 0.00 177.57 177.96 1x4j h VAL 28 N 0.45 0.00 -0.48 1.51 2.07 -1.91 -2.99 116.25 114.90 1x4j h VAL 28 Ca 0.33 0.00 -0.03 0.00 0.82 0.00 0.00 66.70 67.82 1x4j h VAL 28 Cb 0.68 0.00 -0.02 0.00 -1.52 0.00 0.00 31.29 30.43 1x4j h VAL 28 CO -0.11 0.00 0.03 0.00 0.02 0.00 0.00 177.57 177.51 1x4j n MET 30 N 0.11 -0.70 -3.88 0.00 0.00 0.51 -4.91 117.12 108.25 1x4j n MET 30 Ca 0.27 -0.03 -0.11 0.00 0.00 0.00 0.00 57.70 57.84 1x4j n MET 30 Cb 1.12 -2.01 -0.11 0.00 0.00 0.00 0.00 33.22 32.22 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 -0.89 7.31 0.36 0.00 2.15 -1.26 -1.24 116.67 123.09 1x4j s ASP 32 Ca -0.10 1.98 -0.29 0.00 0.43 0.00 0.00 52.55 54.58 1x4j s ASP 32 Cb -0.06 -2.60 -0.11 0.00 -0.30 0.00 0.00 42.92 39.86 1x4j s ASP 32 CO 0.01 -0.21 1.52 -0.36 -0.17 0.00 0.00 175.17 175.96 1x4j s PHE 33 N 0.03 2.61 0.81 -5.34 0.08 -1.26 -4.96 117.98 109.95 1x4j s PHE 33 Ca 0.50 1.06 -0.07 0.00 0.12 0.00 0.00 56.93 58.53 1x4j s PHE 33 Cb -0.27 -4.05 0.15 0.00 -0.57 0.00 0.00 43.02 38.27 1x4j s PHE 33 CO 0.33 -3.20 1.12 -1.21 -0.10 0.00 0.00 175.22 172.15 1x4j s GLU 34 N -1.70 1.35 0.31 0.44 0.41 -1.26 -5.06 118.70 113.18 1x4j s GLU 34 Ca 0.56 -0.74 -0.21 0.00 -0.41 0.00 0.00 54.97 54.16 1x4j s GLU 34 Cb -0.47 -2.13 -0.09 0.00 -1.78 0.00 0.00 34.13 29.66 1x4j s GLU 34 CO 0.60 -1.79 0.84 -1.12 -0.49 0.00 0.00 175.26 173.30 1x4j s SER 35 N -4.77 7.07 -1.19 -0.19 0.01 -1.26 -4.00 113.70 109.37 1x4j s SER 35 Ca 0.68 1.57 -0.04 0.00 1.31 0.00 0.00 55.95 59.48 1x4j s SER 35 Cb -0.05 -2.48 0.00 0.00 0.21 0.00 0.00 66.02 63.70 1x4j s SER 35 CO 0.48 -0.12 1.01 0.54 0.41 0.00 0.00 173.24 175.56 1x4j n ARG 36 N 0.20 -6.77 -4.30 12.44 3.00 -1.24 -4.96 116.66 115.03 1x4j n ARG 36 Ca 0.02 0.79 -0.19 0.00 -0.01 0.00 0.00 57.85 58.46 1x4j n ARG 36 Cb 0.52 -5.66 -0.15 0.00 0.00 0.00 0.00 32.46 27.17 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 -5.70 0.75 -0.04 5.56 -1.52 -1.26 -4.99 119.66 112.46 1x4j s GLN 37 Ca 0.25 -0.26 -0.30 0.00 -1.95 0.00 0.00 55.36 53.10 1x4j s GLN 37 Cb -0.11 -0.72 -0.06 0.00 -0.22 0.00 0.00 33.01 31.90 1x4j s GLN 37 CO 0.68 0.11 1.71 -1.17 -0.25 0.00 0.00 175.29 176.38 1x4j s LEU 38 N 0.09 4.32 0.05 2.90 2.96 -1.26 -3.92 118.68 123.82 1x4j s LEU 38 Ca -0.01 2.29 0.09 0.00 -0.22 0.00 0.00 54.13 56.28 1x4j s LEU 38 Cb -0.06 -3.53 -0.03 0.00 0.50 0.00 0.00 46.19 43.06 1x4j s LEU 38 CO -0.00 -0.96 -0.25 -0.76 -1.32 0.00 0.00 176.35 173.06 1x4j s LEU 39 N 4.17 2.25 -0.17 -0.68 1.43 -1.23 -2.56 118.68 121.90 1x4j s LEU 39 Ca 0.76 -0.58 0.01 0.00 -1.03 0.00 0.00 54.13 53.29 1x4j s LEU 39 Cb -0.35 -1.32 0.01 0.00 0.03 0.00 0.00 46.19 44.57 1x4j s LEU 39 CO 0.32 0.25 -0.19 -0.13 0.23 0.00 0.00 176.35 176.83 1x4j s ARG 40 N -1.35 3.04 -0.32 1.70 1.81 -0.02 -3.95 118.95 119.87 1x4j s ARG 40 Ca 0.12 -0.82 -0.14 0.00 -1.72 0.00 0.00 55.73 53.18 1x4j s ARG 40 Cb -0.10 -2.57 -0.03 0.00 -0.45 0.00 0.00 34.95 31.81 1x4j s ARG 40 CO 0.03 -0.14 0.29 0.08 -0.68 0.00 0.00 175.30 174.88 1x4j s VAL 41 N 1.13 5.23 0.88 3.52 1.01 -1.26 -0.36 120.40 130.55 1x4j s VAL 41 Ca 0.01 0.07 -0.11 0.00 0.00 0.00 0.00 61.98 61.95 1x4j s VAL 41 Cb -0.14 -3.71 0.12 0.00 0.00 0.00 0.00 36.38 32.65 1x4j s VAL 41 CO -0.08 0.04 1.11 0.18 0.00 0.00 0.00 175.10 176.35 1x4j n LEU 42 N 5.23 3.46 0.00 3.92 4.77 0.28 -4.71 117.00 129.96 1x4j n LEU 42 Ca -0.11 0.47 0.03 0.00 -0.03 0.00 0.00 56.01 56.38 1x4j n LEU 42 Cb 0.50 -1.47 0.18 0.00 -2.33 0.00 0.00 43.42 40.31 1x4j n LEU 42 CO 0.37 -2.10 0.41 -0.81 -1.33 0.00 0.00 177.39 173.93 1x4j n PRO 43 N -3.72 0.49 -0.62 3.23 -0.04 -1.26 -2.39 135.00 130.69 1x4j n PRO 43 Ca 0.12 0.00 0.02 0.00 -0.04 0.00 0.00 63.50 63.60 1x4j n PRO 43 Cb 0.51 -1.20 0.23 0.00 -0.04 0.00 0.00 33.50 33.00 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 -0.82 -2.60 -3.84 0.00 4.13 -1.00 -5.03 115.26 106.10 1x4j n ASN 45 Ca 0.28 -0.55 -0.16 0.00 1.68 0.00 0.00 54.58 55.83 1x4j n ASN 45 Cb 0.98 -4.55 -0.16 0.00 -1.54 0.00 0.00 39.78 34.52 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 -3.32 0.27 0.17 3.10 3.76 -1.23 -4.98 115.29 113.06 1x4j s HIS 46 Ca 0.06 0.00 -0.16 0.00 -0.15 0.00 0.00 55.06 54.80 1x4j s HIS 46 Cb -0.01 -0.33 -0.07 0.00 1.11 0.00 0.00 32.58 33.28 1x4j s HIS 46 CO 0.64 -0.09 0.62 -1.21 -0.85 0.00 0.00 174.74 173.84 1x4j s GLU 47 N 0.76 4.08 0.30 1.40 2.02 -1.26 0.10 118.70 126.10 1x4j s GLU 47 Ca -0.07 0.63 -0.08 0.00 0.02 0.00 0.00 54.97 55.47 1x4j s GLU 47 Cb -0.11 -2.91 0.00 0.00 0.10 0.00 0.00 34.13 31.22 1x4j s GLU 47 CO -0.01 0.45 0.49 -0.06 0.02 0.00 0.00 175.26 176.15 1x4j s PHE 48 N -1.49 0.69 -0.32 1.61 0.08 0.51 -4.55 117.98 114.51 1x4j s PHE 48 Ca 0.40 -1.02 -0.20 0.00 0.12 0.00 0.00 56.93 56.23 1x4j s PHE 48 Cb -0.16 0.10 -0.01 0.00 -0.57 0.00 0.00 43.02 42.39 1x4j s PHE 48 CO 0.20 -1.10 0.61 -1.01 -0.10 0.00 0.00 175.22 173.81 1x4j s HIS 49 N -3.41 3.19 0.61 0.36 3.76 -1.26 -0.84 115.29 117.71 1x4j s HIS 49 Ca 0.26 0.46 0.23 0.00 -0.15 0.00 0.00 55.06 55.87 1x4j s HIS 49 Cb -0.01 -3.01 0.82 0.00 1.11 0.00 0.00 32.58 31.49 1x4j s HIS 49 CO 0.15 -0.52 1.29 0.00 -0.85 0.00 0.00 174.74 174.80 1x4j h ALA 50 N 8.30 2.82 0.02 -1.40 0.00 -1.77 0.57 119.26 127.79 1x4j h ALA 50 Ca -0.27 -0.03 -0.28 0.00 0.00 0.00 0.00 54.91 54.33 1x4j h ALA 50 Cb 1.12 0.07 -0.04 0.00 0.00 0.00 0.00 17.79 18.94 1x4j h ALA 50 CO 0.80 -1.62 -1.53 0.36 0.00 0.00 0.00 179.25 177.26 1x4j n LYS 51 N -3.16 0.59 0.00 0.00 2.85 -1.26 -3.84 118.16 113.34 1x4j n LYS 51 Ca 0.20 0.49 0.00 0.00 -1.05 0.00 0.00 58.31 57.95 1x4j n LYS 51 Cb 1.43 -1.71 0.00 0.00 -0.65 0.00 0.00 35.03 34.10 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 0.00 0.17 -0.25 0.00 3.04 -1.42 0.36 116.25 118.16 1x4j h VAL 53 Ca 0.00 -0.02 0.05 0.00 -1.01 0.00 0.00 66.70 65.72 1x4j h VAL 53 Cb 0.00 0.11 -0.05 0.00 -2.01 0.00 0.00 31.29 29.34 1x4j h VAL 53 CO 0.00 0.01 -0.05 -0.78 -1.01 0.00 0.00 177.57 175.74 1x4j h ASP 54 N 0.06 -0.21 0.39 3.17 1.82 -1.60 -1.73 116.42 118.31 1x4j h ASP 54 Ca 0.79 0.07 -0.02 0.00 -0.39 0.00 0.00 57.03 57.48 1x4j h ASP 54 Cb 2.84 0.15 0.00 0.00 0.68 0.00 0.00 39.33 43.00 1x4j h ASP 54 CO -0.19 -0.07 -0.19 0.11 -1.61 0.00 0.00 179.24 177.29 1x4j h LYS 55 N 0.01 -0.51 -0.78 0.28 6.56 -0.20 -3.20 116.57 118.74 1x4j h LYS 55 Ca 0.12 0.03 0.17 0.00 -1.06 0.00 0.00 60.65 59.91 1x4j h LYS 55 Cb 0.18 0.12 -0.15 0.00 -0.57 0.00 0.00 32.23 31.81 1x4j h LYS 55 CO -0.25 -0.34 -0.14 1.87 -2.06 0.00 0.00 179.45 178.53 1x4j n TRP 56 N -4.75 0.33 -0.31 -1.35 -0.00 -0.94 0.24 117.44 110.67 1x4j n TRP 56 Ca -0.07 0.94 0.03 0.00 -0.00 0.00 0.00 57.50 58.41 1x4j n TRP 56 Cb 0.21 -0.98 0.17 0.00 -0.00 0.00 0.00 31.31 30.71 1x4j n TRP 56 CO 0.00 0.00 0.00 -0.07 -0.00 0.00 0.00 177.69 177.62 1x4j h LEU 57 N 0.00 0.77 -1.49 5.87 3.38 -1.38 0.26 115.31 122.73 1x4j h LEU 57 Ca 0.40 0.04 0.18 0.00 0.09 0.00 0.00 57.88 58.58 1x4j h LEU 57 Cb 0.66 -0.12 -0.06 0.00 0.09 0.00 0.00 40.66 41.23 1x4j h LEU 57 CO -0.78 0.45 0.57 0.07 0.09 0.00 0.00 178.44 178.84 1x4j h LYS 58 N 0.89 0.44 0.04 1.13 2.10 0.32 -2.59 116.57 118.90 1x4j h LYS 58 Ca 0.41 -0.03 -0.23 0.00 -2.00 0.00 0.00 60.65 58.80 1x4j h LYS 58 Cb 0.32 -0.10 -0.02 0.00 -0.90 0.00 0.00 32.23 31.53 1x4j h LYS 58 CO -0.23 0.29 -1.26 0.00 -2.00 0.00 0.00 179.45 176.25 1x4j h ALA 59 N 1.62 0.24 -3.24 0.07 0.00 -0.93 -3.46 119.26 113.56 1x4j h ALA 59 Ca 0.44 -1.14 -0.47 0.00 0.00 0.00 0.00 54.91 53.74 1x4j h ALA 59 Cb 1.01 0.61 -0.38 0.00 0.00 0.00 0.00 17.79 19.04 1x4j h ALA 59 CO -0.17 0.74 -0.78 -0.80 0.00 0.00 0.00 179.25 178.24 1x4j s ASN 60 N -6.85 1.76 0.00 0.00 0.01 0.76 -5.02 114.94 105.60 1x4j s ASN 60 Ca -0.25 -0.16 -0.04 0.00 -0.71 0.00 0.00 52.86 51.70 1x4j s ASN 60 Cb 0.05 -0.57 -0.16 0.00 0.41 0.00 0.00 41.25 40.97 1x4j s ASN 60 CO 0.66 -0.16 2.75 -1.14 -1.51 0.00 0.00 177.10 177.69 1x4j n ARG 61 N 5.04 1.46 -3.86 -0.60 3.00 -1.21 -3.73 116.66 116.76 1x4j n ARG 61 Ca -0.09 -0.60 -0.16 0.00 -0.00 0.00 0.00 57.85 57.00 1x4j n ARG 61 Cb 0.50 -1.66 -0.06 0.00 0.00 0.00 0.00 32.46 31.23 1x4j n ARG 61 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.63 177.88 1x4j n THR 62 N 2.26 0.00 -3.32 5.15 -2.24 -1.26 -3.86 114.28 111.01 1x4j n THR 62 Ca 0.26 -2.01 -0.38 0.00 -2.27 0.00 0.00 64.05 59.65 1x4j n THR 62 Cb 0.68 1.02 -0.06 0.00 -2.10 0.00 0.00 70.33 69.87 1x4j n THR 62 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1x4j n PRO 64 N 4.13 0.49 0.02 0.00 -0.04 -1.26 0.33 135.00 138.66 1x4j n PRO 64 Ca -0.07 0.00 -0.00 0.00 -0.04 0.00 0.00 63.50 63.39 1x4j n PRO 64 Cb 0.51 -1.03 -0.00 0.00 -0.04 0.00 0.00 33.50 32.94 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 0.46 0.12 0.52 5.41 -1.26 -4.83 119.36 119.24 1x4j n ILE 65 Ca 0.01 0.16 0.10 0.00 1.00 0.00 0.00 62.75 64.02 1x4j n ILE 65 Cb 0.00 -1.25 0.21 0.00 -0.71 0.00 0.00 39.64 37.89 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 1.29 -0.82 0.00 0.00 1.85 0.15 -4.80 116.66 114.33 1x4j n ARG 67 Ca 0.18 0.09 0.00 0.00 -1.00 0.00 0.00 57.85 57.12 1x4j n ARG 67 Cb 0.55 -3.16 0.00 0.00 -1.05 0.00 0.00 32.46 28.80 1x4j n ARG 67 CO 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 177.63 177.62 1x4j n ALA 68 N -3.00 0.00 -3.61 2.89 0.00 -1.26 -4.67 120.51 110.86 1x4j n ALA 68 Ca 0.05 -0.01 -0.05 0.00 0.00 0.00 0.00 53.44 53.44 1x4j n ALA 68 Cb 0.33 0.00 -0.03 0.00 0.00 0.00 0.00 19.45 19.75 1x4j n ALA 68 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 1x4j s ASP 69 N -2.22 -0.14 0.00 0.00 -1.08 -1.26 -4.82 116.67 107.15 1x4j s ASP 69 Ca 0.00 0.07 0.00 0.00 -0.52 0.00 0.00 52.55 52.10 1x4j s ASP 69 Cb 0.00 0.13 0.00 0.00 -1.46 0.00 0.00 42.92 41.59 1x4j s ASP 69 CO 0.00 -0.18 0.00 -1.54 0.52 0.00 0.00 175.17 173.97 1x4j n SER 70 N 0.21 2.43 0.00 -0.34 3.41 -1.25 -4.58 113.62 113.49 1x4j n SER 70 Ca -0.01 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.60 1x4j n SER 70 Cb 0.58 0.14 0.00 0.00 -0.26 0.00 0.00 64.21 64.68 1x4j n SER 70 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1x4j n GLY 71 N 2.17 -0.22 3.55 5.00 0.00 -1.26 -4.79 105.19 109.64 1x4j n GLY 71 Ca 0.00 -1.37 -0.34 0.00 0.00 0.00 0.00 46.02 44.31 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 -5.38 2.60 0.14 1.61 0.04 -1.26 -4.95 135.00 127.80 1x4j s PRO 72 Ca 0.00 0.25 -0.31 0.00 0.04 0.00 0.00 61.00 60.98 1x4j s PRO 72 Cb 0.00 -4.66 -0.10 0.00 0.04 0.00 0.00 34.50 29.78 1x4j s PRO 72 CO 0.00 -2.99 1.68 0.45 0.04 0.00 0.00 177.00 176.18 1x4j s SER 73 N 8.08 6.51 -0.62 6.66 0.15 -1.26 -4.95 113.70 128.27 1x4j s SER 73 Ca 0.68 2.67 -0.18 0.00 0.70 0.00 0.00 55.95 59.82 1x4j s SER 73 Cb -0.10 -2.58 0.12 0.00 -1.71 0.00 0.00 66.02 61.75 1x4j s SER 73 CO 0.12 -0.91 0.70 -0.94 1.20 0.00 0.00 173.24 173.40 1x4j s SER 74 N 1.84 6.25 0.00 5.45 1.04 -1.26 -5.17 113.70 121.85 1x4j s SER 74 Ca 0.75 -1.62 0.00 0.00 0.48 0.00 0.00 55.95 55.56 1x4j s SER 74 Cb -0.45 -2.28 0.00 0.00 0.10 0.00 0.00 66.02 63.39 1x4j s SER 74 CO 0.33 -1.03 0.00 0.61 0.98 0.00 0.00 173.24 174.13