#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 -1.14 -4.78 1.61 2.88 -1.26 -4.98 113.62 105.96 1x4j n SER 2 Ca 0.00 0.13 -0.38 0.00 -1.33 0.00 0.00 58.87 57.29 1x4j n SER 2 Cb 0.00 -1.29 -0.06 0.00 -0.75 0.00 0.00 64.21 62.11 1x4j n SER 2 CO 0.00 0.00 0.00 -0.94 -1.23 0.00 0.00 175.04 172.87 1x4j s SER 3 N -2.35 6.71 -0.16 -3.46 1.04 -1.26 -5.08 113.70 109.14 1x4j s SER 3 Ca 0.64 0.84 -0.12 0.00 0.48 0.00 0.00 55.95 57.80 1x4j s SER 3 Cb -0.22 -2.25 0.05 0.00 0.10 0.00 0.00 66.02 63.70 1x4j s SER 3 CO 0.63 0.17 0.42 -0.83 0.98 0.00 0.00 173.24 174.61 1x4j s GLY 4 N -0.22 -0.32 0.50 7.32 0.00 -1.26 -5.14 107.32 108.20 1x4j s GLY 4 Ca 0.23 1.38 -0.20 0.00 0.00 0.00 0.00 44.72 46.14 1x4j s GLY 4 CO 0.11 1.40 0.47 -1.26 0.00 0.00 0.00 173.10 173.82 1x4j n SER 5 N 3.65 -1.21 -3.82 1.64 2.88 -1.26 -5.00 113.62 110.49 1x4j n SER 5 Ca -0.19 0.80 -0.17 0.00 -1.33 0.00 0.00 58.87 57.99 1x4j n SER 5 Cb 0.56 -1.12 -0.09 0.00 -0.75 0.00 0.00 64.21 62.81 1x4j n SER 5 CO 0.00 0.00 0.00 -0.44 -1.23 0.00 0.00 175.04 173.37 1x4j s SER 6 N -1.05 1.17 0.00 -3.46 0.01 -1.26 -5.12 113.70 104.00 1x4j s SER 6 Ca 0.65 -1.58 0.00 0.00 1.31 0.00 0.00 55.95 56.33 1x4j s SER 6 Cb -0.52 0.45 0.00 0.00 0.21 0.00 0.00 66.02 66.16 1x4j s SER 6 CO 0.57 -0.94 0.35 0.61 0.41 0.00 0.00 173.24 174.24 1x4j n GLY 7 N -0.50 -0.97 3.67 3.44 0.00 -1.26 -4.75 105.19 104.82 1x4j n GLY 7 Ca 0.04 0.00 -0.59 0.00 0.00 0.00 0.00 46.02 45.47 1x4j n GLY 7 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 1x4j n GLN 8 N -0.99 0.78 -1.26 1.61 6.02 -1.26 -4.81 117.38 117.48 1x4j n GLN 8 Ca 0.00 0.29 -0.39 0.00 -0.01 0.00 0.00 57.00 56.89 1x4j n GLN 8 Cb 0.00 -1.90 0.01 0.00 1.02 0.00 0.00 30.24 29.37 1x4j n GLN 8 CO 0.00 0.00 0.00 1.28 -1.01 0.00 0.00 177.06 177.33 1x4j n LEU 9 N 4.12 -3.43 -4.67 1.08 4.77 -1.26 -4.80 117.00 112.81 1x4j n LEU 9 Ca 0.25 0.65 -0.42 0.00 -0.03 0.00 0.00 56.01 56.46 1x4j n LEU 9 Cb 0.09 -0.87 -0.03 0.00 -2.33 0.00 0.00 43.42 40.29 1x4j n LEU 9 CO 0.77 -4.70 1.25 -2.16 -1.33 0.00 0.00 177.39 171.22 1x4j s PRO 10 N -1.10 4.21 -0.08 3.23 0.04 -1.26 -5.00 135.00 135.04 1x4j s PRO 10 Ca 0.57 2.02 -0.16 0.00 0.04 0.00 0.00 61.00 63.47 1x4j s PRO 10 Cb -0.49 -3.83 -0.05 0.00 0.04 0.00 0.00 34.50 30.17 1x4j s PRO 10 CO 0.66 -0.75 0.40 -1.54 0.04 0.00 0.00 177.00 175.80 1x4j s SER 11 N 2.67 6.66 0.04 6.66 1.04 -1.26 -4.51 113.70 125.00 1x4j s SER 11 Ca 0.67 0.79 -0.20 0.00 0.48 0.00 0.00 55.95 57.69 1x4j s SER 11 Cb -0.30 -2.24 0.04 0.00 0.10 0.00 0.00 66.02 63.62 1x4j s SER 11 CO 0.25 0.15 0.45 -0.72 0.98 0.00 0.00 173.24 174.35 1x4j s TYR 12 N -0.07 -0.33 -0.08 5.02 -0.85 -1.26 -5.05 117.35 114.74 1x4j s TYR 12 Ca 0.23 0.35 -0.23 0.00 -0.52 0.00 0.00 57.07 56.90 1x4j s TYR 12 Cb -0.15 0.26 -0.04 0.00 0.38 0.00 0.00 41.96 42.41 1x4j s TYR 12 CO 0.10 -0.58 0.66 1.03 -1.52 0.00 0.00 175.55 175.24 1x4j s ARG 13 N -2.33 4.41 0.45 -3.49 0.52 -1.26 -3.30 118.95 113.95 1x4j s ARG 13 Ca -0.06 0.80 -0.25 0.00 -0.52 0.00 0.00 55.73 55.71 1x4j s ARG 13 Cb -0.01 -3.45 -0.09 0.00 0.52 0.00 0.00 34.95 31.92 1x4j s ARG 13 CO -0.01 0.07 1.31 0.34 0.02 0.00 0.00 175.30 177.03 1x4j n PHE 14 N 3.81 2.26 -4.09 -0.53 -0.00 -1.16 -4.81 117.46 112.94 1x4j n PHE 14 Ca -0.02 0.47 -0.28 0.00 -0.00 0.00 0.00 57.45 57.62 1x4j n PHE 14 Cb 0.51 -2.39 -0.17 0.00 -0.00 0.00 0.00 39.48 37.44 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 -0.59 2.41 0.00 -2.13 0.01 -1.26 -2.65 114.94 110.73 1x4j s ASN 15 Ca 0.63 -0.40 0.12 0.00 -0.71 0.00 0.00 52.86 52.50 1x4j s ASN 15 Cb -0.48 -1.02 0.74 0.00 0.41 0.00 0.00 41.25 40.90 1x4j s ASN 15 CO 0.56 -0.06 1.17 -0.81 -1.51 0.00 0.00 177.10 176.45 1x4j n PRO 16 N 4.68 0.49 -0.07 -0.60 -0.04 -1.26 -3.18 135.00 135.02 1x4j n PRO 16 Ca -0.16 0.00 -0.14 0.00 -0.04 0.00 0.00 63.50 63.16 1x4j n PRO 16 Cb 0.50 -1.40 -0.05 0.00 -0.04 0.00 0.00 33.50 32.52 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 -0.90 0.94 -3.69 3.54 5.15 -1.26 -4.99 115.26 114.04 1x4j n ASN 17 Ca 0.09 0.16 -0.27 0.00 -0.60 0.00 0.00 54.58 53.96 1x4j n ASN 17 Cb 0.04 -0.38 -0.17 0.00 -0.53 0.00 0.00 39.78 38.74 1x4j n ASN 17 CO 0.00 0.00 0.00 0.21 1.40 0.00 0.00 177.26 178.87 1x4j s ASN 18 N -6.16 2.59 0.31 1.20 3.84 -1.19 -5.14 114.94 110.39 1x4j s ASN 18 Ca -0.18 -0.68 0.10 0.00 0.21 0.00 0.00 52.86 52.31 1x4j s ASN 18 Cb 0.07 -0.46 -0.05 0.00 -0.55 0.00 0.00 41.25 40.26 1x4j s ASN 18 CO 0.23 -0.31 -0.07 -2.28 -2.79 0.00 0.00 177.10 171.87 1x4j s HIS 19 N 1.97 2.47 0.00 0.43 2.46 -1.25 -4.35 115.29 117.01 1x4j s HIS 19 Ca 0.01 -0.38 0.00 0.00 0.47 0.00 0.00 55.06 55.15 1x4j s HIS 19 Cb -0.16 -1.27 0.00 0.00 -0.13 0.00 0.00 32.58 31.02 1x4j s HIS 19 CO -0.08 0.59 0.94 0.94 -2.47 0.00 0.00 174.74 174.66 1x4j n GLN 20 N -0.81 0.00 -3.70 2.88 -0.06 -1.26 -4.79 117.38 109.64 1x4j n GLN 20 Ca -0.05 0.53 -0.20 0.00 -2.00 0.00 0.00 57.00 55.29 1x4j n GLN 20 Cb 0.61 -1.44 -0.01 0.00 -4.06 0.00 0.00 30.24 25.34 1x4j n GLN 20 CO 0.00 0.00 0.00 -1.12 -0.20 0.00 0.00 177.06 175.74 1x4j s SER 21 N -2.19 6.13 0.00 1.69 0.01 -1.26 -5.06 113.70 113.02 1x4j s SER 21 Ca 0.00 -0.07 -0.14 0.00 1.31 0.00 0.00 55.95 57.04 1x4j s SER 21 Cb 0.00 -1.52 -0.08 0.00 0.21 0.00 0.00 66.02 64.63 1x4j s SER 21 CO 0.00 -0.26 0.89 -0.33 0.41 0.00 0.00 173.24 173.94 1x4j h GLU 22 N 1.02 -0.50 -5.93 12.44 5.08 -2.02 -3.42 114.58 121.26 1x4j h GLU 22 Ca -0.49 0.03 -0.59 0.00 -1.00 0.00 0.00 59.36 57.32 1x4j h GLU 22 Cb 1.24 0.11 -0.07 0.00 0.50 0.00 0.00 28.75 30.53 1x4j h GLU 22 CO 0.57 -0.33 0.60 1.14 -1.00 0.00 0.00 179.01 179.98 1x4j s GLN 23 N -3.57 4.23 -0.31 2.33 1.03 -1.26 -5.01 119.66 117.09 1x4j s GLN 23 Ca -0.08 1.13 0.01 0.00 0.04 0.00 0.00 55.36 56.46 1x4j s GLN 23 Cb 0.01 -3.64 0.09 0.00 0.03 0.00 0.00 33.01 29.50 1x4j s GLN 23 CO 0.23 -0.55 0.05 0.95 -2.54 0.00 0.00 175.29 173.43 1x4j s THR 24 N 2.92 1.52 -0.03 3.63 -4.23 -1.26 -4.85 115.64 113.33 1x4j s THR 24 Ca 0.39 -1.72 -0.02 0.00 -1.18 0.00 0.00 61.69 59.16 1x4j s THR 24 Cb -0.15 -2.07 0.02 0.00 1.34 0.00 0.00 72.50 71.63 1x4j s THR 24 CO 0.07 -0.54 0.09 -0.22 -0.54 0.00 0.00 174.62 173.48 1x4j s LEU 25 N 1.31 1.46 -0.74 4.79 0.20 -1.26 -4.21 118.68 120.22 1x4j s LEU 25 Ca 0.07 0.17 -0.25 0.00 0.69 0.00 0.00 54.13 54.82 1x4j s LEU 25 Cb -0.18 0.25 0.05 0.00 -0.43 0.00 0.00 46.19 45.88 1x4j s LEU 25 CO -0.15 -0.06 1.17 0.00 -0.29 0.00 0.00 176.35 177.02 1x4j h VAL 27 N 6.06 0.82 0.18 0.00 3.04 -1.88 2.01 116.25 126.49 1x4j h VAL 27 Ca -0.22 -0.13 -0.01 0.00 -1.01 0.00 0.00 66.70 65.33 1x4j h VAL 27 Cb 1.05 0.41 -0.01 0.00 -2.01 0.00 0.00 31.29 30.74 1x4j h VAL 27 CO 1.25 0.07 -0.18 0.58 -1.01 0.00 0.00 177.57 178.27 1x4j h VAL 28 N 0.38 0.00 -0.56 1.51 2.07 -1.93 -3.20 116.25 114.53 1x4j h VAL 28 Ca 0.33 0.00 -0.24 0.00 0.82 0.00 0.00 66.70 67.61 1x4j h VAL 28 Cb 0.76 0.00 -0.14 0.00 -1.52 0.00 0.00 31.29 30.39 1x4j h VAL 28 CO -0.09 0.00 0.17 0.00 0.02 0.00 0.00 177.57 177.66 1x4j n MET 30 N -0.87 -0.96 -4.61 0.00 0.00 0.68 -4.87 117.12 106.48 1x4j n MET 30 Ca 0.39 0.06 -0.33 0.00 0.00 0.00 0.00 57.70 57.81 1x4j n MET 30 Cb 1.23 -2.21 -0.14 0.00 0.00 0.00 0.00 33.22 32.09 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 0.53 6.24 0.40 0.00 1.47 -1.26 -0.81 116.67 123.24 1x4j s ASP 32 Ca -0.08 -1.19 -0.14 0.00 1.18 0.00 0.00 52.55 52.33 1x4j s ASP 32 Cb -0.15 -2.40 -0.11 0.00 -0.34 0.00 0.00 42.92 39.91 1x4j s ASP 32 CO 0.04 -1.36 -0.13 0.49 0.68 0.00 0.00 175.17 174.89 1x4j n PHE 33 N 7.41 -2.30 0.00 2.11 3.72 -1.26 -4.96 117.46 122.17 1x4j n PHE 33 Ca -0.00 0.32 0.00 0.00 -0.05 0.00 0.00 57.45 57.72 1x4j n PHE 33 Cb 0.46 -1.26 0.00 0.00 -0.94 0.00 0.00 39.48 37.73 1x4j n PHE 33 CO 0.00 0.00 0.00 -1.91 -0.05 0.00 0.00 176.76 174.80 1x4j n GLU 34 N 1.19 0.00 -3.63 -1.08 2.13 -1.26 -5.07 120.64 112.92 1x4j n GLU 34 Ca 0.06 0.00 -0.04 0.00 0.66 0.00 0.00 57.16 57.84 1x4j n GLU 34 Cb 0.36 -0.21 -0.04 0.00 0.27 0.00 0.00 31.44 31.82 1x4j n GLU 34 CO 0.00 0.00 0.00 -1.54 -0.41 0.00 0.00 177.13 175.18 1x4j s SER 35 N -3.26 -0.10 -1.37 4.31 1.04 -1.26 -4.42 113.70 108.62 1x4j s SER 35 Ca 0.00 0.10 -0.09 0.00 0.48 0.00 0.00 55.95 56.44 1x4j s SER 35 Cb 0.00 0.09 0.02 0.00 0.10 0.00 0.00 66.02 66.23 1x4j s SER 35 CO 0.00 -0.11 1.13 0.54 0.98 0.00 0.00 173.24 175.79 1x4j n ARG 36 N 0.48 -7.44 -4.64 4.02 1.74 -1.08 -4.92 116.66 104.82 1x4j n ARG 36 Ca -0.02 0.79 -0.24 0.00 -0.77 0.00 0.00 57.85 57.61 1x4j n ARG 36 Cb 0.59 -5.81 -0.16 0.00 -1.02 0.00 0.00 32.46 26.05 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 -6.28 1.56 -0.09 5.56 -0.21 -1.26 -4.92 119.66 114.01 1x4j s GLN 37 Ca 0.54 -0.46 -0.30 0.00 0.02 0.00 0.00 55.36 55.16 1x4j s GLN 37 Cb -0.24 -1.34 -0.05 0.00 1.00 0.00 0.00 33.01 32.38 1x4j s GLN 37 CO 0.75 0.13 1.61 -1.17 -2.12 0.00 0.00 175.29 174.49 1x4j s LEU 38 N 0.30 4.25 0.03 2.90 1.98 -1.26 -3.00 118.68 123.89 1x4j s LEU 38 Ca -0.08 2.10 0.05 0.00 -2.89 0.00 0.00 54.13 53.31 1x4j s LEU 38 Cb -0.12 -3.53 -0.02 0.00 0.66 0.00 0.00 46.19 43.17 1x4j s LEU 38 CO 0.02 -0.96 -0.15 -0.76 -1.89 0.00 0.00 176.35 172.62 1x4j s LEU 39 N 4.16 2.15 -0.20 -0.68 1.43 -1.21 -2.75 118.68 121.59 1x4j s LEU 39 Ca 0.71 -0.44 -0.03 0.00 -1.03 0.00 0.00 54.13 53.35 1x4j s LEU 39 Cb -0.31 -0.66 -0.01 0.00 0.03 0.00 0.00 46.19 45.25 1x4j s LEU 39 CO 0.28 0.06 -0.07 -0.13 0.23 0.00 0.00 176.35 176.72 1x4j s ARG 40 N -1.04 3.36 -0.29 1.70 0.52 -0.55 -4.00 118.95 118.65 1x4j s ARG 40 Ca 0.03 -0.65 -0.19 0.00 -0.52 0.00 0.00 55.73 54.40 1x4j s ARG 40 Cb -0.08 -2.91 -0.02 0.00 0.52 0.00 0.00 34.95 32.47 1x4j s ARG 40 CO 0.01 -0.12 0.58 0.08 0.02 0.00 0.00 175.30 175.87 1x4j s VAL 41 N 1.24 4.99 0.85 3.52 1.01 -1.26 -1.63 120.40 129.12 1x4j s VAL 41 Ca 0.03 0.83 -0.12 0.00 0.00 0.00 0.00 61.98 62.72 1x4j s VAL 41 Cb -0.14 -3.93 0.11 0.00 0.00 0.00 0.00 36.38 32.41 1x4j s VAL 41 CO -0.03 -0.06 1.17 -0.76 0.00 0.00 0.00 175.10 175.42 1x4j s LEU 42 N 2.48 3.01 0.00 3.92 1.43 0.22 -4.83 118.68 124.90 1x4j s LEU 42 Ca 0.23 2.24 0.10 0.00 -1.03 0.00 0.00 54.13 55.68 1x4j s LEU 42 Cb -0.15 -4.57 0.63 0.00 0.03 0.00 0.00 46.19 42.12 1x4j s LEU 42 CO 0.11 -2.80 1.06 -0.81 0.23 0.00 0.00 176.35 174.14 1x4j n PRO 43 N -3.72 0.49 -0.38 1.29 -0.04 -1.26 -2.06 135.00 129.32 1x4j n PRO 43 Ca 0.12 0.00 0.08 0.00 -0.04 0.00 0.00 63.50 63.66 1x4j n PRO 43 Cb 0.51 -1.33 0.24 0.00 -0.04 0.00 0.00 33.50 32.88 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 0.32 -2.88 -3.85 0.00 5.15 -0.87 -5.07 115.26 108.06 1x4j n ASN 45 Ca 0.19 -0.28 -0.12 0.00 -0.60 0.00 0.00 54.58 53.76 1x4j n ASN 45 Cb 0.71 -2.46 -0.14 0.00 -0.53 0.00 0.00 39.78 37.36 1x4j n ASN 45 CO 0.00 0.00 0.00 -1.00 1.40 0.00 0.00 177.26 177.66 1x4j s HIS 46 N -3.16 -0.02 0.10 1.20 3.76 -1.24 -4.97 115.29 110.96 1x4j s HIS 46 Ca 0.09 0.09 -0.12 0.00 -0.15 0.00 0.00 55.06 54.96 1x4j s HIS 46 Cb -0.01 -0.03 -0.06 0.00 1.11 0.00 0.00 32.58 33.59 1x4j s HIS 46 CO 0.31 -0.03 0.47 -1.21 -0.85 0.00 0.00 174.74 173.43 1x4j s GLU 47 N 0.19 3.88 0.34 1.40 8.01 -1.26 0.72 118.70 131.98 1x4j s GLU 47 Ca -0.01 0.35 -0.06 0.00 0.01 0.00 0.00 54.97 55.26 1x4j s GLU 47 Cb -0.02 -3.00 0.01 0.00 -4.31 0.00 0.00 34.13 26.81 1x4j s GLU 47 CO -0.01 0.54 0.53 -0.06 0.01 0.00 0.00 175.26 176.27 1x4j s PHE 48 N -1.39 0.84 -0.24 1.61 0.08 -0.65 -4.49 117.98 113.74 1x4j s PHE 48 Ca 0.34 -1.16 -0.15 0.00 0.12 0.00 0.00 56.93 56.08 1x4j s PHE 48 Cb -0.15 0.10 -0.04 0.00 -0.57 0.00 0.00 43.02 42.37 1x4j s PHE 48 CO 0.18 -1.20 0.38 -1.01 -0.10 0.00 0.00 175.22 173.47 1x4j s HIS 49 N -3.01 3.30 0.60 0.36 3.76 -1.26 -1.48 115.29 117.55 1x4j s HIS 49 Ca 0.27 0.50 0.30 0.00 -0.15 0.00 0.00 55.06 55.98 1x4j s HIS 49 Cb -0.01 -2.55 1.18 0.00 1.11 0.00 0.00 32.58 32.31 1x4j s HIS 49 CO 0.18 -0.13 1.50 0.00 -0.85 0.00 0.00 174.74 175.44 1x4j h ALA 50 N 7.81 2.87 0.00 -1.40 0.00 -1.81 0.16 119.26 126.90 1x4j h ALA 50 Ca -0.33 -0.03 -0.22 0.00 0.00 0.00 0.00 54.91 54.33 1x4j h ALA 50 Cb 1.16 0.07 -0.03 0.00 0.00 0.00 0.00 17.79 18.99 1x4j h ALA 50 CO 0.68 -1.55 -1.23 0.36 0.00 0.00 0.00 179.25 177.51 1x4j n LYS 51 N -3.47 0.55 0.02 0.00 2.85 -1.26 -3.59 118.16 113.26 1x4j n LYS 51 Ca 0.22 0.56 -0.01 0.00 -1.05 0.00 0.00 58.31 58.03 1x4j n LYS 51 Cb 1.35 -1.74 -0.01 0.00 -0.65 0.00 0.00 35.03 33.99 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 -0.06 0.39 -0.69 0.00 3.04 -1.32 0.34 116.25 117.95 1x4j h VAL 53 Ca -0.01 -0.14 0.10 0.00 -1.01 0.00 0.00 66.70 65.65 1x4j h VAL 53 Cb 0.05 -0.05 -0.08 0.00 -2.01 0.00 0.00 31.29 29.20 1x4j h VAL 53 CO 0.00 0.07 0.32 -0.78 -1.01 0.00 0.00 177.57 176.17 1x4j h ASP 54 N 0.41 0.38 -0.01 3.17 1.82 -1.57 0.11 116.42 120.73 1x4j h ASP 54 Ca 0.68 0.07 -0.15 0.00 -0.39 0.00 0.00 57.03 57.24 1x4j h ASP 54 Cb 1.44 0.02 0.01 0.00 0.68 0.00 0.00 39.33 41.47 1x4j h ASP 54 CO -0.56 0.21 -0.58 0.50 -1.61 0.00 0.00 179.24 177.20 1x4j h LYS 55 N 0.53 0.41 0.15 0.28 3.64 0.15 -3.29 116.57 118.45 1x4j h LYS 55 Ca 0.35 -0.43 0.02 0.00 -1.27 0.00 0.00 60.65 59.32 1x4j h LYS 55 Cb 0.41 0.12 -0.04 0.00 -0.41 0.00 0.00 32.23 32.31 1x4j h LYS 55 CO -0.30 1.09 -0.33 2.35 -2.27 0.00 0.00 179.45 179.99 1x4j h TRP 56 N -0.09 -0.90 -1.25 1.91 2.91 -0.53 -1.22 115.95 116.78 1x4j h TRP 56 Ca -0.07 0.02 0.37 0.00 1.13 0.00 0.00 58.89 60.34 1x4j h TRP 56 Cb 1.28 0.37 -0.10 0.00 -0.51 0.00 0.00 29.16 30.20 1x4j h TRP 56 CO 0.14 -0.44 0.83 -0.07 -1.03 0.00 0.00 178.44 177.88 1x4j h LEU 57 N -0.57 0.26 -0.80 0.65 3.38 -0.86 0.78 115.31 118.14 1x4j h LEU 57 Ca 0.02 0.09 -0.02 0.00 0.09 0.00 0.00 57.88 58.06 1x4j h LEU 57 Cb 0.59 0.06 -0.04 0.00 0.09 0.00 0.00 40.66 41.36 1x4j h LEU 57 CO -0.17 -0.05 0.43 0.50 0.09 0.00 0.00 178.44 179.23 1x4j h LYS 58 N 0.17 1.12 0.08 1.13 3.64 -1.29 -3.17 116.57 118.24 1x4j h LYS 58 Ca 0.71 -0.14 -0.12 0.00 -1.27 0.00 0.00 60.65 59.83 1x4j h LYS 58 Cb 2.25 -0.22 0.01 0.00 -0.41 0.00 0.00 32.23 33.87 1x4j h LYS 58 CO -0.28 0.83 -0.57 0.00 -2.27 0.00 0.00 179.45 177.16 1x4j h ALA 59 N 1.22 -0.02 -3.34 5.00 0.00 0.50 -3.46 119.26 119.18 1x4j h ALA 59 Ca 0.28 -0.68 -0.47 0.00 0.00 0.00 0.00 54.91 54.04 1x4j h ALA 59 Cb 0.05 0.12 -0.35 0.00 0.00 0.00 0.00 17.79 17.61 1x4j h ALA 59 CO -0.04 0.28 -0.79 -0.80 0.00 0.00 0.00 179.25 177.90 1x4j s ASN 60 N -6.68 1.60 -0.08 0.00 0.01 0.53 -5.02 114.94 105.31 1x4j s ASN 60 Ca -0.17 -0.21 -0.00 0.00 -0.71 0.00 0.00 52.86 51.77 1x4j s ASN 60 Cb -0.00 -0.65 0.06 0.00 0.41 0.00 0.00 41.25 41.07 1x4j s ASN 60 CO 0.76 -0.07 1.87 -2.11 -1.51 0.00 0.00 177.10 176.03 1x4j n ARG 61 N 4.43 1.20 -4.25 -0.60 0.00 -1.23 -3.66 116.66 112.55 1x4j n ARG 61 Ca -0.18 -0.39 -0.16 0.00 -0.00 0.00 0.00 57.85 57.12 1x4j n ARG 61 Cb 0.51 -1.15 -0.09 0.00 -0.00 0.00 0.00 32.46 31.72 1x4j n ARG 61 CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 177.63 178.58 1x4j s THR 62 N -0.55 0.01 -0.18 8.89 -4.23 -1.26 -3.71 115.64 114.61 1x4j s THR 62 Ca 0.08 -2.00 -0.23 0.00 -1.18 0.00 0.00 61.69 58.36 1x4j s THR 62 Cb 0.06 -2.50 -0.02 0.00 1.34 0.00 0.00 72.50 71.38 1x4j s THR 62 CO 0.00 0.00 0.71 0.00 -0.54 0.00 0.00 174.62 174.79 1x4j n PRO 64 N 5.06 0.49 -0.00 0.00 -0.04 -1.26 -0.20 135.00 139.05 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 0.49 -1.17 -0.00 0.00 -0.04 0.00 0.00 33.50 32.78 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 -0.67 0.46 -1.01 0.52 5.41 -1.26 -4.77 119.36 118.04 1x4j n ILE 65 Ca 0.04 0.24 0.01 0.00 1.00 0.00 0.00 62.75 64.04 1x4j n ILE 65 Cb 0.02 -1.44 0.33 0.00 -0.71 0.00 0.00 39.64 37.84 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 0.02 -1.96 -0.86 0.00 5.12 0.72 -4.86 116.66 114.83 1x4j n ARG 67 Ca 0.33 0.09 -0.24 0.00 -1.93 0.00 0.00 57.85 56.10 1x4j n ARG 67 Cb 1.23 -4.36 0.20 0.00 -1.16 0.00 0.00 32.46 28.37 1x4j n ARG 67 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70 1x4j n ALA 68 N -1.63 -2.67 -3.54 7.54 0.00 -1.25 -4.52 120.51 114.44 1x4j n ALA 68 Ca -0.02 -1.30 -0.35 0.00 0.00 0.00 0.00 53.44 51.77 1x4j n ALA 68 Cb 0.28 -0.09 -0.14 0.00 0.00 0.00 0.00 19.45 19.50 1x4j n ALA 68 CO 0.00 0.00 0.00 0.16 0.00 0.00 0.00 177.50 177.66 1x4j s ASP 69 N -3.89 4.36 -0.06 0.00 1.47 -1.26 -0.93 116.67 116.36 1x4j s ASP 69 Ca 0.57 -0.56 -0.16 0.00 1.18 0.00 0.00 52.55 53.57 1x4j s ASP 69 Cb -0.05 -1.73 -0.30 0.00 -0.34 0.00 0.00 42.92 40.50 1x4j s ASP 69 CO 0.43 -0.07 0.72 0.28 0.68 0.00 0.00 175.17 177.21 1x4j h SER 70 N 8.10 0.51 0.00 2.11 0.02 -1.89 -3.47 113.55 118.93 1x4j h SER 70 Ca -0.38 -0.90 0.00 0.00 -0.84 0.00 0.00 61.79 59.67 1x4j h SER 70 Cb 1.14 -0.17 0.00 0.00 0.14 0.00 0.00 62.40 63.52 1x4j h SER 70 CO 0.60 1.61 0.00 0.61 -1.14 0.00 0.00 176.83 178.51 1x4j n GLY 71 N 1.74 -0.64 0.11 -3.77 0.00 -1.26 -4.87 105.19 96.51 1x4j n GLY 71 Ca -0.21 -0.80 -0.13 0.00 0.00 0.00 0.00 46.02 44.88 1x4j n GLY 71 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1x4j h PRO 72 N 0.00 0.26 -6.97 1.61 0.13 -1.98 -3.47 132.00 121.59 1x4j h PRO 72 Ca 0.00 -0.14 -0.58 0.00 -0.87 0.00 0.00 66.00 64.41 1x4j h PRO 72 Cb 0.00 0.01 -0.17 0.00 0.13 0.00 0.00 31.00 30.97 1x4j h PRO 72 CO 0.00 0.67 -0.92 0.43 -0.23 0.00 0.00 178.00 177.96 1x4j n SER 73 N -4.64 0.06 -4.10 1.44 7.64 -1.26 -4.89 113.62 107.88 1x4j n SER 73 Ca -0.07 -1.21 -0.36 0.00 1.01 0.00 0.00 58.87 58.25 1x4j n SER 73 Cb 0.33 -1.49 -0.11 0.00 -1.01 0.00 0.00 64.21 61.93 1x4j n SER 73 CO 0.00 0.00 0.00 -0.94 -3.01 0.00 0.00 175.04 171.09 1x4j s SER 74 N -4.18 5.21 0.00 6.43 1.04 -1.26 -4.87 113.70 116.07 1x4j s SER 74 Ca 0.08 -2.37 0.00 0.00 0.48 0.00 0.00 55.95 54.14 1x4j s SER 74 Cb -0.05 -1.83 0.00 0.00 0.10 0.00 0.00 66.02 64.24 1x4j s SER 74 CO 0.93 -0.47 0.00 0.61 0.98 0.00 0.00 173.24 175.30