#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 5.23 -0.21 1.61 0.01 -1.26 -5.08 113.70 114.00 1x4j s SER 2 Ca 0.00 -0.75 -0.16 0.00 1.31 0.00 0.00 55.95 56.35 1x4j s SER 2 Cb 0.00 0.06 -0.08 0.00 0.21 0.00 0.00 66.02 66.20 1x4j s SER 2 CO 0.00 -1.19 -0.32 -0.24 0.41 0.00 0.00 173.24 171.90 1x4j n SER 3 N -2.13 1.94 0.00 2.44 2.88 -1.26 -5.09 113.62 112.40 1x4j n SER 3 Ca 0.13 0.35 0.00 0.00 -1.33 0.00 0.00 58.87 58.03 1x4j n SER 3 Cb 0.61 -0.78 0.00 0.00 -0.75 0.00 0.00 64.21 63.29 1x4j n SER 3 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1x4j n GLY 4 N 1.40 1.30 3.46 0.46 0.00 -1.26 -5.18 105.19 105.37 1x4j n GLY 4 Ca -0.28 -0.10 -0.14 0.00 0.00 0.00 0.00 46.02 45.50 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 0.00 -0.58 0.64 1.61 1.04 -1.26 -5.17 113.70 109.98 1x4j s SER 5 Ca 0.00 1.13 -0.04 0.00 0.48 0.00 0.00 55.95 57.52 1x4j s SER 5 Cb 0.00 1.14 0.05 0.00 0.10 0.00 0.00 66.02 67.31 1x4j s SER 5 CO 0.00 -0.19 0.92 -0.94 0.98 0.00 0.00 173.24 174.01 1x4j s SER 6 N 0.31 5.03 0.00 7.02 1.04 -1.26 -4.86 113.70 120.97 1x4j s SER 6 Ca -0.00 0.30 0.00 0.00 0.48 0.00 0.00 55.95 56.73 1x4j s SER 6 Cb -0.04 -1.06 0.00 0.00 0.10 0.00 0.00 66.02 65.02 1x4j s SER 6 CO 0.01 -1.40 0.00 0.61 0.98 0.00 0.00 173.24 173.43 1x4j n GLY 7 N -2.69 0.29 3.31 7.32 0.00 -1.26 -5.11 105.19 107.04 1x4j n GLY 7 Ca 0.08 -0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.88 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 1.21 0.78 1.61 -1.52 -1.26 -5.12 119.66 115.36 1x4j s GLN 8 Ca 0.00 -1.34 -0.15 0.00 -1.95 0.00 0.00 55.36 51.92 1x4j s GLN 8 Cb 0.00 -1.27 -0.03 0.00 -0.22 0.00 0.00 33.01 31.49 1x4j s GLN 8 CO 0.00 0.26 0.41 1.28 -0.25 0.00 0.00 175.29 176.99 1x4j n LEU 9 N 0.47 0.08 -4.67 2.90 4.77 -1.26 -4.86 117.00 114.43 1x4j n LEU 9 Ca -0.15 0.51 -0.42 0.00 -0.03 0.00 0.00 56.01 55.92 1x4j n LEU 9 Cb 0.56 -1.18 -0.03 0.00 -2.33 0.00 0.00 43.42 40.45 1x4j n LEU 9 CO 0.28 -3.44 1.22 -2.16 -1.33 0.00 0.00 177.39 171.95 1x4j s PRO 10 N -2.87 4.23 -0.21 3.23 0.04 -1.26 -5.01 135.00 133.16 1x4j s PRO 10 Ca 0.62 2.02 -0.11 0.00 0.04 0.00 0.00 61.00 63.57 1x4j s PRO 10 Cb -0.31 -3.75 -0.05 0.00 0.04 0.00 0.00 34.50 30.43 1x4j s PRO 10 CO 0.62 -0.70 0.16 -1.12 0.04 0.00 0.00 177.00 175.99 1x4j s SER 11 N 2.44 6.21 -0.08 6.66 0.01 -1.26 -4.34 113.70 123.34 1x4j s SER 11 Ca 0.66 0.24 -0.30 0.00 1.31 0.00 0.00 55.95 57.86 1x4j s SER 11 Cb -0.31 -2.11 0.07 0.00 0.21 0.00 0.00 66.02 63.89 1x4j s SER 11 CO 0.26 0.14 0.69 -0.72 0.41 0.00 0.00 173.24 174.01 1x4j s TYR 12 N 0.55 -0.68 0.01 2.43 -0.85 -1.22 -5.02 117.35 112.57 1x4j s TYR 12 Ca 0.09 1.24 -0.21 0.00 -0.52 0.00 0.00 57.07 57.67 1x4j s TYR 12 Cb -0.12 0.39 -0.05 0.00 0.38 0.00 0.00 41.96 42.56 1x4j s TYR 12 CO 0.00 -0.58 0.61 1.03 -1.52 0.00 0.00 175.55 175.10 1x4j s ARG 13 N -0.96 4.33 0.46 -3.49 0.52 -1.26 -1.67 118.95 116.88 1x4j s ARG 13 Ca -0.09 0.77 -0.22 0.00 -0.52 0.00 0.00 55.73 55.66 1x4j s ARG 13 Cb -0.01 -3.34 -0.10 0.00 0.52 0.00 0.00 34.95 32.03 1x4j s ARG 13 CO 0.09 0.38 0.86 0.34 0.02 0.00 0.00 175.30 176.98 1x4j n PHE 14 N 2.67 0.59 -4.00 -0.53 -0.00 -1.12 -4.90 117.46 110.17 1x4j n PHE 14 Ca -0.07 0.54 -0.30 0.00 -0.00 0.00 0.00 57.45 57.62 1x4j n PHE 14 Cb 0.51 -2.14 -0.16 0.00 -0.00 0.00 0.00 39.48 37.69 1x4j n PHE 14 CO 0.00 0.00 0.00 1.21 -0.00 0.00 0.00 176.76 177.97 1x4j s ASN 15 N -0.90 3.22 0.39 -2.13 2.47 -1.26 -4.39 114.94 112.35 1x4j s ASN 15 Ca 0.66 -0.79 0.28 0.00 0.42 0.00 0.00 52.86 53.43 1x4j s ASN 15 Cb -0.54 -1.22 1.18 0.00 -1.45 0.00 0.00 41.25 39.22 1x4j s ASN 15 CO 0.55 -0.12 1.84 1.55 -3.72 0.00 0.00 177.10 177.20 1x4j h PRO 16 N 7.99 0.00 0.11 0.43 0.13 -1.94 -3.11 132.00 135.62 1x4j h PRO 16 Ca -0.30 0.00 -0.16 0.00 -0.87 0.00 0.00 66.00 64.66 1x4j h PRO 16 Cb 1.11 0.00 0.01 0.00 0.13 0.00 0.00 31.00 32.25 1x4j h PRO 16 CO 0.49 0.00 -0.74 -0.91 -0.23 0.00 0.00 178.00 176.61 1x4j h ASN 17 N 0.00 0.36 -2.78 1.44 4.21 -1.97 -3.46 115.58 113.38 1x4j h ASN 17 Ca 0.00 -0.94 -0.07 0.00 1.21 0.00 0.00 56.30 56.50 1x4j h ASN 17 Cb 0.42 -0.12 -0.25 0.00 -1.12 0.00 0.00 38.32 37.25 1x4j h ASN 17 CO 0.00 1.35 -0.26 0.20 -1.29 0.00 0.00 177.43 177.43 1x4j s ASN 18 N -6.84 -0.55 0.50 5.81 0.01 -1.17 -5.17 114.94 107.52 1x4j s ASN 18 Ca -0.16 1.10 0.03 0.00 -0.71 0.00 0.00 52.86 53.13 1x4j s ASN 18 Cb 0.01 1.25 -0.01 0.00 0.41 0.00 0.00 41.25 42.91 1x4j s ASN 18 CO 0.79 -0.22 0.10 -2.28 -1.51 0.00 0.00 177.10 173.99 1x4j s HIS 19 N 2.06 1.97 -0.21 2.20 2.46 -1.25 -4.48 115.29 118.04 1x4j s HIS 19 Ca -0.06 -0.86 -0.17 0.00 0.47 0.00 0.00 55.06 54.43 1x4j s HIS 19 Cb -0.10 -1.73 -0.13 0.00 -0.13 0.00 0.00 32.58 30.49 1x4j s HIS 19 CO -0.15 0.11 -0.04 0.00 -2.47 0.00 0.00 174.74 172.19 1x4j n GLN 20 N -1.33 0.55 -2.59 2.88 10.64 -1.26 -4.99 117.38 121.28 1x4j n GLN 20 Ca -0.12 0.47 -0.22 0.00 -1.83 0.00 0.00 57.00 55.29 1x4j n GLN 20 Cb 0.66 -1.65 0.06 0.00 -0.86 0.00 0.00 30.24 28.45 1x4j n GLN 20 CO 0.00 0.00 0.00 -1.12 -1.83 0.00 0.00 177.06 174.11 1x4j s SER 21 N -6.70 4.94 -0.19 2.61 0.01 -1.26 -5.05 113.70 108.06 1x4j s SER 21 Ca -0.28 -0.10 -0.08 0.00 1.31 0.00 0.00 55.95 56.80 1x4j s SER 21 Cb 0.07 -0.60 -0.21 0.00 0.21 0.00 0.00 66.02 65.49 1x4j s SER 21 CO 0.48 -1.41 0.10 -1.84 0.41 0.00 0.00 173.24 170.98 1x4j n GLU 22 N -2.54 0.68 -3.93 12.44 0.28 -1.26 -4.88 120.64 121.43 1x4j n GLU 22 Ca 0.10 0.29 -0.35 0.00 -0.16 0.00 0.00 57.16 57.03 1x4j n GLU 22 Cb 0.60 -1.64 -0.13 0.00 1.43 0.00 0.00 31.44 31.70 1x4j n GLU 22 CO 0.00 0.00 0.00 1.14 -0.16 0.00 0.00 177.13 178.11 1x4j s GLN 23 N -2.51 3.53 -0.31 3.44 1.03 -1.26 -5.07 119.66 118.52 1x4j s GLN 23 Ca -0.29 -0.55 0.02 0.00 0.04 0.00 0.00 55.36 54.58 1x4j s GLN 23 Cb 0.08 -3.12 0.09 0.00 0.03 0.00 0.00 33.01 30.10 1x4j s GLN 23 CO 0.66 -0.12 0.05 0.95 -2.54 0.00 0.00 175.29 174.29 1x4j s THR 24 N 1.35 1.60 -0.02 3.63 -4.23 -1.26 -4.80 115.64 111.92 1x4j s THR 24 Ca 0.04 -1.76 -0.03 0.00 -1.18 0.00 0.00 61.69 58.76 1x4j s THR 24 Cb -0.15 -2.13 0.00 0.00 1.34 0.00 0.00 72.50 71.57 1x4j s THR 24 CO 0.00 -0.53 0.07 -0.22 -0.54 0.00 0.00 174.62 173.41 1x4j s LEU 25 N 1.27 1.77 -0.52 4.79 0.20 -1.26 -4.32 118.68 120.60 1x4j s LEU 25 Ca 0.07 -0.01 -0.22 0.00 0.69 0.00 0.00 54.13 54.67 1x4j s LEU 25 Cb -0.18 0.30 0.05 0.00 -0.43 0.00 0.00 46.19 45.92 1x4j s LEU 25 CO -0.14 -0.12 0.77 0.00 -0.29 0.00 0.00 176.35 176.57 1x4j h VAL 27 N 5.94 0.26 0.41 0.00 3.04 -1.88 1.19 116.25 125.20 1x4j h VAL 27 Ca -0.27 -0.28 -0.02 0.00 -1.01 0.00 0.00 66.70 65.12 1x4j h VAL 27 Cb 1.09 1.22 0.00 0.00 -2.01 0.00 0.00 31.29 31.58 1x4j h VAL 27 CO 1.02 0.04 -0.20 0.58 -1.01 0.00 0.00 177.57 178.00 1x4j h VAL 28 N 0.00 0.00 -0.65 1.51 2.07 -1.93 -3.31 116.25 113.95 1x4j h VAL 28 Ca -0.00 -0.15 0.00 0.00 0.82 0.00 0.00 66.70 67.37 1x4j h VAL 28 Cb 0.21 0.00 0.00 0.00 -1.52 0.00 0.00 31.29 29.98 1x4j h VAL 28 CO 0.01 0.00 0.00 0.00 0.02 0.00 0.00 177.57 177.60 1x4j n MET 30 N 1.18 -0.63 -4.07 0.00 0.00 0.41 -4.93 117.12 109.07 1x4j n MET 30 Ca 0.25 0.06 -0.13 0.00 0.00 0.00 0.00 57.70 57.88 1x4j n MET 30 Cb 0.82 -2.90 -0.11 0.00 0.00 0.00 0.00 33.22 31.03 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 -1.68 6.92 0.67 0.00 -1.08 -1.26 -1.66 116.67 118.57 1x4j s ASP 32 Ca -0.08 1.06 -0.17 0.00 -0.52 0.00 0.00 52.55 52.84 1x4j s ASP 32 Cb -0.09 -2.52 -0.09 0.00 -1.46 0.00 0.00 42.92 38.77 1x4j s ASP 32 CO 0.00 -0.77 0.23 0.49 0.52 0.00 0.00 175.17 175.64 1x4j n PHE 33 N 6.59 -1.76 -1.17 -5.34 3.72 -1.26 -4.97 117.46 113.28 1x4j n PHE 33 Ca 0.10 0.35 -0.16 0.00 -0.05 0.00 0.00 57.45 57.70 1x4j n PHE 33 Cb 0.47 -1.82 0.12 0.00 -0.94 0.00 0.00 39.48 37.31 1x4j n PHE 33 CO 0.00 0.00 0.00 0.39 -0.05 0.00 0.00 176.76 177.10 1x4j n GLU 34 N 0.28 -1.35 0.02 -1.08 -0.58 -1.26 -5.00 120.64 111.68 1x4j n GLU 34 Ca 0.09 -1.01 0.08 0.00 -0.42 0.00 0.00 57.16 55.90 1x4j n GLU 34 Cb 0.49 -0.78 -0.11 0.00 -0.57 0.00 0.00 31.44 30.47 1x4j n GLU 34 CO 0.00 0.00 0.00 -1.13 -0.48 0.00 0.00 177.13 175.52 1x4j n SER 35 N -3.69 0.37 -3.24 1.62 3.41 -1.26 -4.58 113.62 106.25 1x4j n SER 35 Ca 0.08 0.15 -0.24 0.00 -0.26 0.00 0.00 58.87 58.60 1x4j n SER 35 Cb 0.31 1.19 -0.07 0.00 -0.26 0.00 0.00 64.21 65.38 1x4j n SER 35 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 175.04 175.42 1x4j n ARG 36 N -2.51 1.32 -3.74 4.33 3.00 -1.26 -4.35 116.66 113.45 1x4j n ARG 36 Ca -0.06 -3.68 -0.13 0.00 -0.01 0.00 0.00 57.85 53.96 1x4j n ARG 36 Cb 0.65 -1.58 -0.10 0.00 0.00 0.00 0.00 32.46 31.44 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 -1.75 0.50 0.06 5.56 -0.21 -1.26 -5.01 119.66 117.54 1x4j s GLN 37 Ca 0.37 0.41 -0.31 0.00 0.02 0.00 0.00 55.36 55.86 1x4j s GLN 37 Cb 0.19 0.24 -0.07 0.00 1.00 0.00 0.00 33.01 34.36 1x4j s GLN 37 CO -0.08 -0.08 1.53 -1.17 -2.12 0.00 0.00 175.29 173.37 1x4j s LEU 38 N -0.08 4.35 0.09 2.90 2.96 -1.26 -2.78 118.68 124.85 1x4j s LEU 38 Ca -0.03 2.35 0.07 0.00 -0.22 0.00 0.00 54.13 56.31 1x4j s LEU 38 Cb -0.03 -3.57 -0.03 0.00 0.50 0.00 0.00 46.19 43.06 1x4j s LEU 38 CO 0.01 -0.80 -0.19 -0.76 -1.32 0.00 0.00 176.35 173.30 1x4j s LEU 39 N 2.26 2.28 -0.20 -0.68 1.43 -0.67 -3.31 118.68 119.80 1x4j s LEU 39 Ca 0.69 -0.65 -0.03 0.00 -1.03 0.00 0.00 54.13 53.11 1x4j s LEU 39 Cb -0.37 -0.77 -0.01 0.00 0.03 0.00 0.00 46.19 45.07 1x4j s LEU 39 CO 0.30 0.02 -0.05 -0.13 0.23 0.00 0.00 176.35 176.72 1x4j s ARG 40 N -1.78 3.44 -0.30 1.70 0.52 -0.88 -3.46 118.95 118.20 1x4j s ARG 40 Ca 0.04 -0.61 -0.14 0.00 -0.52 0.00 0.00 55.73 54.50 1x4j s ARG 40 Cb -0.10 -2.95 -0.03 0.00 0.52 0.00 0.00 34.95 32.39 1x4j s ARG 40 CO 0.03 -0.06 0.32 0.08 0.02 0.00 0.00 175.30 175.69 1x4j s VAL 41 N 1.13 5.21 0.88 3.52 1.01 -1.26 -1.20 120.40 129.68 1x4j s VAL 41 Ca 0.02 0.26 -0.11 0.00 0.00 0.00 0.00 61.98 62.14 1x4j s VAL 41 Cb -0.15 -3.69 0.13 0.00 0.00 0.00 0.00 36.38 32.67 1x4j s VAL 41 CO -0.01 0.09 1.17 -0.76 0.00 0.00 0.00 175.10 175.60 1x4j s LEU 42 N 1.96 2.95 0.00 3.92 1.43 0.23 -4.78 118.68 124.39 1x4j s LEU 42 Ca 0.11 2.27 0.06 0.00 -1.03 0.00 0.00 54.13 55.55 1x4j s LEU 42 Cb -0.16 -4.58 0.39 0.00 0.03 0.00 0.00 46.19 41.87 1x4j s LEU 42 CO 0.11 -2.98 0.84 -0.81 0.23 0.00 0.00 176.35 173.74 1x4j n PRO 43 N -3.92 0.49 -0.55 1.29 -0.04 -1.26 -2.32 135.00 128.69 1x4j n PRO 43 Ca 0.13 0.00 0.03 0.00 -0.04 0.00 0.00 63.50 63.62 1x4j n PRO 43 Cb 0.51 -1.21 0.21 0.00 -0.04 0.00 0.00 33.50 32.98 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 -0.96 -2.84 -3.90 0.00 4.13 -0.98 -5.03 115.26 105.69 1x4j n ASN 45 Ca 0.25 -0.55 -0.18 0.00 1.68 0.00 0.00 54.58 55.77 1x4j n ASN 45 Cb 0.90 -4.54 -0.16 0.00 -1.54 0.00 0.00 39.78 34.44 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 0.61 0.20 3.10 3.76 -1.23 -4.98 115.29 113.43 1x4j s HIS 46 Ca 0.08 -0.14 -0.16 0.00 -0.15 0.00 0.00 55.06 54.69 1x4j s HIS 46 Cb -0.01 -0.54 -0.08 0.00 1.11 0.00 0.00 32.58 33.07 1x4j s HIS 46 CO 0.64 -0.13 0.63 -1.21 -0.85 0.00 0.00 174.74 173.82 1x4j s GLU 47 N 0.68 4.07 0.36 1.40 8.01 -1.26 0.77 118.70 132.72 1x4j s GLU 47 Ca -0.08 0.63 -0.05 0.00 0.01 0.00 0.00 54.97 55.48 1x4j s GLU 47 Cb -0.12 -2.83 0.01 0.00 -4.31 0.00 0.00 34.13 26.89 1x4j s GLU 47 CO -0.00 0.40 0.54 -0.06 0.01 0.00 0.00 175.26 176.15 1x4j s PHE 48 N -1.57 0.87 -0.22 1.61 0.08 -0.34 -4.47 117.98 113.93 1x4j s PHE 48 Ca 0.42 -1.20 -0.12 0.00 0.12 0.00 0.00 56.93 56.16 1x4j s PHE 48 Cb -0.15 0.11 -0.05 0.00 -0.57 0.00 0.00 43.02 42.37 1x4j s PHE 48 CO 0.20 -1.24 0.22 -1.01 -0.10 0.00 0.00 175.22 173.30 1x4j s HIS 49 N -2.87 3.35 0.56 0.36 3.76 -1.26 -2.07 115.29 117.11 1x4j s HIS 49 Ca 0.27 0.35 0.40 0.00 -0.15 0.00 0.00 55.06 55.93 1x4j s HIS 49 Cb -0.01 -2.33 1.55 0.00 1.11 0.00 0.00 32.58 32.90 1x4j s HIS 49 CO 0.19 0.07 1.69 0.00 -0.85 0.00 0.00 174.74 175.84 1x4j h ALA 50 N 7.37 3.30 0.00 -1.40 0.00 -1.86 -0.19 119.26 126.47 1x4j h ALA 50 Ca -0.38 -0.05 -0.10 0.00 0.00 0.00 0.00 54.91 54.38 1x4j h ALA 50 Cb 1.17 0.10 -0.01 0.00 0.00 0.00 0.00 17.79 19.04 1x4j h ALA 50 CO 0.69 -1.77 -0.68 1.57 0.00 0.00 0.00 179.25 179.05 1x4j h LYS 51 N 0.00 0.00 0.00 0.00 2.10 -1.92 -3.29 116.57 113.45 1x4j h LYS 51 Ca 0.66 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 59.31 1x4j h LYS 51 Cb 2.76 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 34.09 1x4j h LYS 51 CO -0.01 0.59 0.00 0.00 -2.00 0.00 0.00 179.45 178.03 1x4j n VAL 53 N -1.89 -0.41 -0.16 0.00 3.14 -0.24 0.29 118.33 119.06 1x4j n VAL 53 Ca 0.00 2.15 -0.05 0.00 -2.96 0.00 0.00 64.34 63.48 1x4j n VAL 53 Cb 0.00 -3.10 0.02 0.00 -1.06 0.00 0.00 33.84 29.70 1x4j n VAL 53 CO 0.00 0.00 0.00 -0.78 -6.46 0.00 0.00 176.83 169.59 1x4j h ASP 54 N 0.00 -0.85 -0.53 6.55 3.58 -1.57 0.18 116.42 123.79 1x4j h ASP 54 Ca 0.56 0.19 -0.07 0.00 0.42 0.00 0.00 57.03 58.12 1x4j h ASP 54 Cb 1.09 0.45 -0.02 0.00 1.72 0.00 0.00 39.33 42.56 1x4j h ASP 54 CO -0.93 -0.26 0.04 0.50 -2.88 0.00 0.00 179.24 175.71 1x4j h LYS 55 N -0.14 0.90 0.51 0.28 3.64 0.34 -3.19 116.57 118.91 1x4j h LYS 55 Ca 0.22 -0.27 -0.02 0.00 -1.27 0.00 0.00 60.65 59.32 1x4j h LYS 55 Cb 0.49 -0.09 -0.01 0.00 -0.41 0.00 0.00 32.23 32.21 1x4j h LYS 55 CO -0.57 0.90 -0.39 2.35 -2.27 0.00 0.00 179.45 179.47 1x4j h TRP 56 N 0.78 -1.06 -1.38 1.91 2.91 0.28 -1.66 115.95 117.74 1x4j h TRP 56 Ca 0.16 -0.00 0.40 0.00 1.13 0.00 0.00 58.89 60.58 1x4j h TRP 56 Cb 0.47 0.40 -0.06 0.00 -0.51 0.00 0.00 29.16 29.46 1x4j h TRP 56 CO 0.03 -0.55 1.20 -0.07 -1.03 0.00 0.00 178.44 178.03 1x4j h LEU 57 N -0.86 0.00 -0.32 0.65 3.38 -0.74 1.14 115.31 118.55 1x4j h LEU 57 Ca -0.07 0.00 -0.06 0.00 0.09 0.00 0.00 57.88 57.84 1x4j h LEU 57 Cb 0.72 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.46 1x4j h LEU 57 CO 0.02 0.00 -0.03 0.50 0.09 0.00 0.00 178.44 179.01 1x4j h LYS 58 N 0.00 0.59 0.13 1.13 3.64 -1.28 -3.26 116.57 117.52 1x4j h LYS 58 Ca 0.66 -0.21 -0.26 0.00 -1.27 0.00 0.00 60.65 59.57 1x4j h LYS 58 Cb 3.05 -0.04 0.01 0.00 -0.41 0.00 0.00 32.23 34.83 1x4j h LYS 58 CO -0.01 0.75 -1.29 0.00 -2.27 0.00 0.00 179.45 176.62 1x4j h ALA 59 N 0.83 0.09 -3.32 5.00 0.00 0.12 -3.45 119.26 118.53 1x4j h ALA 59 Ca 0.09 -0.99 -0.55 0.00 0.00 0.00 0.00 54.91 53.46 1x4j h ALA 59 Cb 0.50 0.37 -0.38 0.00 0.00 0.00 0.00 17.79 18.28 1x4j h ALA 59 CO 0.02 0.72 -0.79 -0.80 0.00 0.00 0.00 179.25 178.40 1x4j s ASN 60 N -7.06 2.80 0.00 0.00 0.01 0.68 -5.01 114.94 106.36 1x4j s ASN 60 Ca -0.18 -0.65 -0.04 0.00 -0.71 0.00 0.00 52.86 51.29 1x4j s ASN 60 Cb 0.04 -0.90 -0.16 0.00 0.41 0.00 0.00 41.25 40.64 1x4j s ASN 60 CO 0.80 -0.19 2.79 -1.14 -1.51 0.00 0.00 177.10 177.85 1x4j n ARG 61 N 4.88 1.48 -2.77 -0.60 0.63 -1.23 -3.53 116.66 115.53 1x4j n ARG 61 Ca -0.12 -0.59 -0.07 0.00 -0.92 0.00 0.00 57.85 56.15 1x4j n ARG 61 Cb 0.48 -1.64 -0.01 0.00 0.45 0.00 0.00 32.46 31.74 1x4j n ARG 61 CO 0.00 0.00 0.00 0.25 -2.51 0.00 0.00 177.63 175.37 1x4j n THR 62 N 2.20 0.00 -3.16 5.15 -2.24 -1.26 -4.07 114.28 110.90 1x4j n THR 62 Ca 0.25 -0.86 -0.40 0.00 -2.27 0.00 0.00 64.05 60.77 1x4j n THR 62 Cb 0.70 0.56 -0.06 0.00 -2.10 0.00 0.00 70.33 69.43 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 4.90 0.49 0.00 0.00 -0.04 -1.26 0.10 135.00 139.19 1x4j n PRO 64 Ca -0.03 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.43 1x4j n PRO 64 Cb 0.50 -1.23 0.00 0.00 -0.04 0.00 0.00 33.50 32.73 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 -0.73 0.00 0.75 0.52 5.41 -1.26 -4.81 119.36 119.24 1x4j n ILE 65 Ca 0.05 0.15 0.12 0.00 1.00 0.00 0.00 62.75 64.08 1x4j n ILE 65 Cb 0.03 -1.09 0.22 0.00 -0.71 0.00 0.00 39.64 38.09 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 1.21 -1.17 0.00 0.00 3.00 0.11 -4.80 116.66 115.01 1x4j n ARG 67 Ca 0.17 0.08 0.00 0.00 -0.01 0.00 0.00 57.85 58.09 1x4j n ARG 67 Cb 0.55 -3.56 0.00 0.00 0.00 0.00 0.00 32.46 29.45 1x4j n ARG 67 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.63 177.63 1x4j n ALA 68 N -2.92 -0.14 -3.65 7.54 0.00 -1.26 -4.70 120.51 115.38 1x4j n ALA 68 Ca 0.07 0.00 -0.02 0.00 0.00 0.00 0.00 53.44 53.49 1x4j n ALA 68 Cb 0.35 0.00 -0.07 0.00 0.00 0.00 0.00 19.45 19.73 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 -2.53 -0.15 -0.27 0.00 2.15 -1.26 -4.90 116.67 109.71 1x4j s ASP 69 Ca 0.00 0.26 0.15 0.00 0.43 0.00 0.00 52.55 53.39 1x4j s ASP 69 Cb 0.00 0.53 0.48 0.00 -0.30 0.00 0.00 42.92 43.64 1x4j s ASP 69 CO 0.00 -0.04 1.16 -0.24 -0.17 0.00 0.00 175.17 175.87 1x4j n SER 70 N 2.23 3.29 -3.62 -0.34 2.88 -1.26 -4.66 113.62 112.14 1x4j n SER 70 Ca -0.13 -2.96 -0.16 0.00 -1.33 0.00 0.00 58.87 54.29 1x4j n SER 70 Cb 0.57 -0.41 -0.07 0.00 -0.75 0.00 0.00 64.21 63.55 1x4j n SER 70 CO 0.00 0.00 0.00 -0.83 -1.23 0.00 0.00 175.04 172.98 1x4j s GLY 71 N -3.65 -0.43 -0.02 0.46 0.00 -1.26 -4.85 107.32 97.57 1x4j s GLY 71 Ca 0.40 1.07 -0.25 0.00 0.00 0.00 0.00 44.72 45.93 1x4j s GLY 71 CO -0.00 0.78 1.28 -0.56 0.00 0.00 0.00 173.10 174.59 1x4j h PRO 72 N 3.60 0.04 -6.13 2.90 0.13 -1.99 -3.46 132.00 127.08 1x4j h PRO 72 Ca -0.28 -0.02 -0.55 0.00 -0.87 0.00 0.00 66.00 64.28 1x4j h PRO 72 Cb 1.16 0.00 -0.09 0.00 0.13 0.00 0.00 31.00 32.20 1x4j h PRO 72 CO 0.35 0.51 -0.59 -1.12 -0.23 0.00 0.00 178.00 176.93 1x4j s SER 73 N -5.74 4.60 -0.02 1.44 0.01 -1.26 -5.06 113.70 107.68 1x4j s SER 73 Ca -0.16 -0.73 -0.23 0.00 1.31 0.00 0.00 55.95 56.14 1x4j s SER 73 Cb 0.02 -0.77 -0.20 0.00 0.21 0.00 0.00 66.02 65.27 1x4j s SER 73 CO 0.68 -0.17 1.15 0.28 0.41 0.00 0.00 173.24 175.60 1x4j h SER 74 N 1.71 0.26 0.00 2.44 0.02 -2.05 -3.51 113.55 112.42 1x4j h SER 74 Ca -0.44 -0.65 0.00 0.00 -0.84 0.00 0.00 61.79 59.86 1x4j h SER 74 Cb 1.25 -0.08 0.00 0.00 0.14 0.00 0.00 62.40 63.71 1x4j h SER 74 CO 0.62 0.87 0.00 0.61 -1.14 0.00 0.00 176.83 177.80