#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3g1j h ASP 4 N 0.00 0.00 1.25 0.55 3.58 -2.01 -2.08 116.42 117.71 3g1j h ASP 4 Ca 0.00 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.45 3g1j h ASP 4 Cb 0.00 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.05 3g1j h ASP 4 CO 0.00 0.26 0.00 0.00 -2.88 0.00 0.00 179.24 176.62 3g1j n TYR 5 N -3.92 0.81 -3.34 0.28 0.18 -1.26 -4.75 117.16 105.16 3g1j n TYR 5 Ca -0.02 0.26 -0.30 0.00 1.88 0.00 0.00 57.90 59.72 3g1j n TYR 5 Cb 0.34 -0.91 -0.04 0.00 -0.38 0.00 0.00 39.34 38.34 3g1j n TYR 5 CO 0.00 0.00 0.00 -0.51 -2.08 0.00 0.00 176.86 174.27 3g1j s LEU 6 N -4.37 4.09 -0.05 -3.48 1.43 -0.78 -4.98 118.68 110.53 3g1j s LEU 6 Ca 0.09 0.81 -0.30 0.00 -1.03 0.00 0.00 54.13 53.71 3g1j s LEU 6 Cb 0.12 -3.61 -0.03 0.00 0.03 0.00 0.00 46.19 42.70 3g1j s LEU 6 CO 0.54 -0.16 1.21 -1.58 0.23 0.00 0.00 176.35 176.59 3g1j s GLN 7 N -3.28 4.35 0.35 1.70 0.74 -0.16 -4.79 119.66 118.57 3g1j s GLN 7 Ca 0.46 1.69 0.19 0.00 0.05 0.00 0.00 55.36 57.74 3g1j s GLN 7 Cb -0.11 -3.55 0.44 0.00 1.10 0.00 0.00 33.01 30.89 3g1j s GLN 7 CO 0.27 -0.45 1.62 0.66 -0.55 0.00 0.00 175.29 176.84 3g1j h SER 8 N 7.46 0.00 -4.31 6.67 4.64 -1.88 -1.31 113.55 124.81 3g1j h SER 8 Ca -0.35 0.00 -0.61 0.00 -0.47 0.00 0.00 61.79 60.36 3g1j h SER 8 Cb 1.16 0.00 -0.27 0.00 -0.31 0.00 0.00 62.40 62.99 3g1j h SER 8 CO 0.88 0.38 -0.85 -1.61 -0.87 0.00 0.00 176.83 174.75 3g1j s GLU 9 N -3.29 1.53 -0.26 4.77 2.02 -1.26 -0.77 118.70 121.44 3g1j s GLU 9 Ca 0.02 -0.95 -0.01 0.00 0.02 0.00 0.00 54.97 54.05 3g1j s GLU 9 Cb 0.09 -1.63 0.13 0.00 0.10 0.00 0.00 34.13 32.82 3g1j s GLU 9 CO 0.70 0.42 0.31 -0.47 0.02 0.00 0.00 175.26 176.24 3g1j s TYR 10 N -0.75 -0.56 0.00 1.61 5.04 -0.22 -4.89 117.35 117.57 3g1j s TYR 10 Ca 0.08 0.16 0.00 0.00 -2.44 0.00 0.00 57.07 54.88 3g1j s TYR 10 Cb -0.09 -0.31 0.00 0.00 0.35 0.00 0.00 41.96 41.91 3g1j s TYR 10 CO 0.01 -0.83 0.00 0.41 -1.34 0.00 0.00 175.55 173.81 3g1j n GLY 11 N 5.33 3.55 0.26 8.97 0.00 -1.26 -1.66 105.19 120.38 3g1j n GLY 11 Ca -0.03 -0.10 0.15 0.00 0.00 0.00 0.00 46.02 46.05 3g1j n GLY 11 CO 0.00 0.00 0.00 -0.24 0.00 0.00 0.00 173.32 173.08 3g1j h VAL 12 N 0.00 0.10 -3.12 1.61 3.04 -1.98 -3.44 116.25 112.46 3g1j h VAL 12 Ca 0.00 -0.67 -0.55 0.00 -1.01 0.00 0.00 66.70 64.47 3g1j h VAL 12 Cb 0.00 1.60 -0.03 0.00 -2.01 0.00 0.00 31.29 30.86 3g1j h VAL 12 CO 0.00 0.04 0.68 -0.76 -1.01 0.00 0.00 177.57 176.52 3g1j s LEU 13 N -6.30 4.27 -0.10 3.16 1.43 -0.66 -4.99 118.68 115.49 3g1j s LEU 13 Ca 0.02 1.74 0.02 0.00 -1.03 0.00 0.00 54.13 54.87 3g1j s LEU 13 Cb 0.09 -3.56 0.01 0.00 0.03 0.00 0.00 46.19 42.77 3g1j s LEU 13 CO 0.57 -0.56 -0.14 -0.75 0.23 0.00 0.00 176.35 175.70 3g1j s LYS 14 N 2.22 2.05 0.22 1.70 2.47 -1.26 -1.06 119.74 126.08 3g1j s LYS 14 Ca 0.54 -0.51 -0.31 0.00 -1.56 0.00 0.00 55.97 54.13 3g1j s LYS 14 Cb -0.23 -1.75 -0.14 0.00 -1.46 0.00 0.00 37.83 34.25 3g1j s LYS 14 CO 0.21 -0.05 1.24 0.00 0.16 0.00 0.00 175.35 176.91 3g1j n ALA 15 N 4.13 0.12 0.00 3.13 0.00 0.05 -1.88 120.51 126.07 3g1j n ALA 15 Ca -0.19 0.43 0.00 0.00 0.00 0.00 0.00 53.44 53.67 3g1j n ALA 15 Cb 0.51 -2.13 0.00 0.00 0.00 0.00 0.00 19.45 17.83 3g1j n ALA 15 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3g1j n GLY 16 N 1.92 2.38 3.87 0.00 0.00 0.55 -4.99 105.19 108.91 3g1j n GLY 16 Ca 0.13 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.81 3g1j n GLY 16 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 3g1j s GLN 17 N -0.50 3.81 -0.01 1.61 -1.52 -0.79 -4.84 119.66 117.42 3g1j s GLN 17 Ca 0.00 0.25 -0.15 0.00 -1.95 0.00 0.00 55.36 53.51 3g1j s GLN 17 Cb 0.00 -2.89 -0.06 0.00 -0.22 0.00 0.00 33.01 29.84 3g1j s GLN 17 CO 0.00 0.48 0.41 0.00 -0.25 0.00 0.00 175.29 175.93 3g1j s TYR 19 N -0.89 1.66 -0.10 0.00 2.02 -1.26 -0.22 117.35 118.56 3g1j s TYR 19 Ca 0.24 -0.42 -0.01 0.00 -0.37 0.00 0.00 57.07 56.50 3g1j s TYR 19 Cb -0.16 -0.92 -0.03 0.00 -0.40 0.00 0.00 41.96 40.44 3g1j s TYR 19 CO 0.13 0.16 -0.04 0.21 -1.57 0.00 0.00 175.55 174.44 3g1j s LYS 20 N -1.79 3.06 -0.01 -0.62 2.20 -0.16 -4.25 119.74 118.17 3g1j s LYS 20 Ca 0.05 -0.49 -0.30 0.00 -0.36 0.00 0.00 55.97 54.86 3g1j s LYS 20 Cb -0.10 -2.74 -0.05 0.00 -1.51 0.00 0.00 37.83 33.43 3g1j s LYS 20 CO 0.04 0.57 1.32 0.08 -0.36 0.00 0.00 175.35 177.00 3g1j s VAL 21 N -0.54 3.89 -0.70 4.02 1.01 0.46 -1.28 120.40 127.26 3g1j s VAL 21 Ca 0.09 1.27 0.08 0.00 0.00 0.00 0.00 61.98 63.41 3g1j s VAL 21 Cb -0.12 -3.81 0.00 0.00 0.00 0.00 0.00 36.38 32.45 3g1j s VAL 21 CO 0.02 0.01 0.55 1.33 0.00 0.00 0.00 175.10 177.01 3g1j n VAL 22 N 4.56 0.00 -3.66 2.92 0.24 0.57 -0.63 118.33 122.33 3g1j n VAL 22 Ca 0.12 -0.43 -0.23 0.00 -2.04 0.00 0.00 64.34 61.76 3g1j n VAL 22 Cb 0.45 1.09 -0.17 0.00 -1.47 0.00 0.00 33.84 33.73 3g1j n VAL 22 CO 0.00 0.00 0.00 -0.60 -2.14 0.00 0.00 176.83 174.09 3g1j s ARG 23 N -1.11 0.08 0.35 7.34 3.52 -1.23 -4.92 118.95 122.98 3g1j s ARG 23 Ca 0.06 0.14 -0.28 0.00 -0.13 0.00 0.00 55.73 55.52 3g1j s ARG 23 Cb 0.06 -1.14 -0.12 0.00 -1.56 0.00 0.00 34.95 32.19 3g1j s ARG 23 CO 0.18 -0.47 1.37 0.43 -0.81 0.00 0.00 175.30 176.00 3g1j n SER 24 N 5.26 3.15 -3.73 -2.12 7.64 -1.26 -4.72 113.62 117.84 3g1j n SER 24 Ca -0.05 1.21 -0.10 0.00 1.01 0.00 0.00 58.87 60.94 3g1j n SER 24 Cb 0.49 -1.53 -0.05 0.00 -1.01 0.00 0.00 64.21 62.11 3g1j n SER 24 CO 0.00 0.00 0.00 0.72 -3.01 0.00 0.00 175.04 172.75 3g1j s PHE 25 N -1.03 -0.05 -0.11 1.43 -0.71 -0.52 -4.96 117.98 112.03 3g1j s PHE 25 Ca 0.55 -0.30 -0.04 0.00 -1.04 0.00 0.00 56.93 56.11 3g1j s PHE 25 Cb -0.54 0.19 -0.04 0.00 -1.21 0.00 0.00 43.02 41.43 3g1j s PHE 25 CO 0.62 -0.72 0.06 1.03 -1.34 0.00 0.00 175.22 174.87 3g1j s ARG 26 N -3.85 3.24 0.30 1.99 1.81 -1.26 -0.82 118.95 120.37 3g1j s ARG 26 Ca 0.06 -0.30 0.01 0.00 -1.72 0.00 0.00 55.73 53.78 3g1j s ARG 26 Cb 0.02 -2.98 0.06 0.00 -0.45 0.00 0.00 34.95 31.60 3g1j s ARG 26 CO -0.09 0.69 0.41 -0.40 -0.68 0.00 0.00 175.30 175.23 3g1j n ASP 27 N 2.22 0.70 0.25 0.23 5.75 -0.61 -4.94 116.55 120.15 3g1j n ASP 27 Ca -0.19 -1.56 0.11 0.00 -0.01 0.00 0.00 54.79 53.14 3g1j n ASP 27 Cb 0.54 -0.25 0.67 0.00 -1.03 0.00 0.00 41.12 41.05 3g1j n ASP 27 CO 0.00 0.00 0.00 0.22 -0.11 0.00 0.00 177.20 177.31 3g1j h TYR 28 N -0.31 0.00 -0.46 2.11 5.03 -1.96 -1.17 116.97 120.21 3g1j h TYR 28 Ca -0.14 0.00 0.00 0.00 2.58 0.00 0.00 58.73 61.17 3g1j h TYR 28 Cb 0.54 0.00 0.00 0.00 1.55 0.00 0.00 36.73 38.82 3g1j h TYR 28 CO 0.00 0.14 0.00 0.54 -1.32 0.00 0.00 178.16 177.52 3g1j n ARG 29 N -3.75 3.76 -1.12 1.82 1.74 -1.26 -4.91 116.66 112.94 3g1j n ARG 29 Ca -0.02 -2.37 -0.04 0.00 -0.77 0.00 0.00 57.85 54.65 3g1j n ARG 29 Cb 0.25 -2.00 -0.02 0.00 -1.02 0.00 0.00 32.46 29.68 3g1j n ARG 29 CO 0.00 0.00 0.00 0.09 -1.52 0.00 0.00 177.63 176.20 3g1j n ASN 30 N 0.58 -4.63 -4.71 0.55 5.03 -0.44 -4.98 115.26 106.66 3g1j n ASN 30 Ca 0.21 0.10 -0.42 0.00 0.87 0.00 0.00 54.58 55.34 3g1j n ASN 30 Cb 0.91 -2.49 -0.03 0.00 -1.02 0.00 0.00 39.78 37.15 3g1j n ASN 30 CO 0.00 0.00 0.00 -0.63 -1.83 0.00 0.00 177.26 174.80 3g1j s ILE 31 N -1.77 4.15 -0.20 2.41 -1.09 -1.26 -4.77 121.20 118.67 3g1j s ILE 31 Ca 0.00 1.53 -0.22 0.00 -2.23 0.00 0.00 60.65 59.73 3g1j s ILE 31 Cb 0.00 -3.98 -0.02 0.00 -1.58 0.00 0.00 42.46 36.88 3g1j s ILE 31 CO 0.00 0.09 0.69 0.21 -1.23 0.00 0.00 174.94 174.70 3g1j s ASN 32 N 1.16 6.74 -0.31 3.58 3.04 -1.26 -1.57 114.94 126.31 3g1j s ASN 32 Ca 0.58 0.90 -0.09 0.00 0.04 0.00 0.00 52.86 54.29 3g1j s ASN 32 Cb -0.28 -2.37 0.00 0.00 -1.54 0.00 0.00 41.25 37.06 3g1j s ASN 32 CO 0.28 -0.33 0.13 -0.31 -3.04 0.00 0.00 177.10 173.83 3g1j s TYR 33 N 2.09 3.17 0.17 0.43 2.02 0.00 -4.99 117.35 120.24 3g1j s TYR 33 Ca 0.31 -0.75 -0.23 0.00 -0.37 0.00 0.00 57.07 56.03 3g1j s TYR 33 Cb -0.16 -2.32 -0.08 0.00 -0.40 0.00 0.00 41.96 39.00 3g1j s TYR 33 CO 0.10 -0.51 0.73 -1.21 -1.57 0.00 0.00 175.55 173.09 3g1j s GLU 34 N 1.57 4.42 0.07 -0.62 0.41 -1.26 -1.44 118.70 121.85 3g1j s GLU 34 Ca 0.04 1.01 -0.35 0.00 -0.41 0.00 0.00 54.97 55.26 3g1j s GLU 34 Cb -0.17 -3.13 -0.15 0.00 -1.78 0.00 0.00 34.13 28.90 3g1j s GLU 34 CO 0.05 0.52 1.54 -2.13 -0.49 0.00 0.00 175.26 174.75 3g1j n ARG 35 N 1.32 1.74 0.00 1.61 0.63 -1.26 -1.58 116.66 119.12 3g1j n ARG 35 Ca -0.05 0.63 0.00 0.00 -0.92 0.00 0.00 57.85 57.51 3g1j n ARG 35 Cb 0.50 -2.36 0.00 0.00 0.45 0.00 0.00 32.46 31.05 3g1j n ARG 35 CO 0.00 0.00 0.00 0.41 -2.51 0.00 0.00 177.63 175.53 3g1j n GLY 36 N 3.28 2.53 3.74 5.14 0.00 0.20 -4.98 105.19 115.09 3g1j n GLY 36 Ca 0.19 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.79 3g1j n GLY 36 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 3g1j s ASP 37 N -1.51 6.65 0.22 1.61 1.11 -0.61 -4.73 116.67 119.42 3g1j s ASP 37 Ca 0.00 2.64 0.10 0.00 0.18 0.00 0.00 52.55 55.47 3g1j s ASP 37 Cb 0.00 -2.62 -0.04 0.00 1.07 0.00 0.00 42.92 41.33 3g1j s ASP 37 CO 0.00 -0.71 -0.11 -0.69 1.18 0.00 0.00 175.17 174.84 3g1j s VAL 38 N 0.21 3.03 -0.09 -1.27 1.01 -1.26 -0.40 120.40 121.63 3g1j s VAL 38 Ca 0.61 -1.90 0.00 0.00 0.00 0.00 0.00 61.98 60.69 3g1j s VAL 38 Cb -0.42 -2.54 0.02 0.00 0.00 0.00 0.00 36.38 33.44 3g1j s VAL 38 CO 0.41 -0.23 -0.07 -0.60 0.00 0.00 0.00 175.10 174.61 3g1j s ARG 40 N -3.14 1.34 0.18 2.72 3.52 -0.67 -4.78 118.95 118.11 3g1j s ARG 40 Ca 0.27 -0.22 -0.30 0.00 -0.13 0.00 0.00 55.73 55.35 3g1j s ARG 40 Cb -0.07 -1.35 -0.08 0.00 -1.56 0.00 0.00 34.95 31.89 3g1j s ARG 40 CO 0.16 -0.17 1.24 0.12 -0.81 0.00 0.00 175.30 175.84 3g1j s PHE 41 N 1.37 3.37 -0.13 5.12 5.36 -0.20 -0.57 117.98 132.29 3g1j s PHE 41 Ca -0.02 1.33 0.11 0.00 -0.96 0.00 0.00 56.93 57.39 3g1j s PHE 41 Cb -0.14 -3.49 -0.15 0.00 -0.34 0.00 0.00 43.02 38.90 3g1j s PHE 41 CO -0.04 -1.47 0.03 1.28 -1.46 0.00 0.00 175.22 173.57 3g1j n LEU 42 N 2.72 0.20 0.00 6.12 4.77 0.23 -0.33 117.00 130.71 3g1j n LEU 42 Ca 0.06 -0.01 0.00 0.00 -0.03 0.00 0.00 56.01 56.03 3g1j n LEU 42 Cb 0.44 0.25 0.00 0.00 -2.33 0.00 0.00 43.42 41.79 3g1j n LEU 42 CO 0.56 0.35 0.00 0.61 -1.33 0.00 0.00 177.39 177.58 3g1j n GLY 43 N 2.25 2.04 3.38 -0.72 0.00 -1.20 -4.78 105.19 106.16 3g1j n GLY 43 Ca -0.21 -1.64 -0.20 0.00 0.00 0.00 0.00 46.02 43.98 3g1j n GLY 43 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3g1j s SER 44 N 0.00 2.55 -0.05 1.61 1.04 -0.49 -1.22 113.70 117.13 3g1j s SER 44 Ca 0.00 -1.13 -0.06 0.00 0.48 0.00 0.00 55.95 55.23 3g1j s SER 44 Cb 0.00 -0.13 0.01 0.00 0.10 0.00 0.00 66.02 66.00 3g1j s SER 44 CO 0.00 -0.31 0.17 0.21 0.98 0.00 0.00 173.24 174.29 3g1j s ASN 45 N -3.38 -0.14 -0.10 7.02 2.47 -0.53 -0.99 114.94 119.28 3g1j s ASN 45 Ca 0.27 0.25 0.04 0.00 0.42 0.00 0.00 52.86 53.84 3g1j s ASN 45 Cb 0.03 0.33 -0.00 0.00 -1.45 0.00 0.00 41.25 40.15 3g1j s ASN 45 CO 0.09 -0.11 -0.23 0.12 -3.72 0.00 0.00 177.10 173.25 3g1j s PHE 46 N -0.16 2.58 -0.43 0.43 5.36 -1.26 -0.27 117.98 124.23 3g1j s PHE 46 Ca -0.03 -1.05 -0.09 0.00 -0.96 0.00 0.00 56.93 54.81 3g1j s PHE 46 Cb -0.02 -1.72 0.09 0.00 -0.34 0.00 0.00 43.02 41.02 3g1j s PHE 46 CO 0.00 -0.42 0.27 0.08 -1.46 0.00 0.00 175.22 173.70 3g1j s VAL 47 N 0.37 4.20 0.23 3.12 1.01 0.10 -4.97 120.40 124.46 3g1j s VAL 47 Ca -0.18 -1.49 -0.08 0.00 0.00 0.00 0.00 61.98 60.23 3g1j s VAL 47 Cb -0.18 -3.61 0.20 0.00 0.00 0.00 0.00 36.38 32.78 3g1j s VAL 47 CO 0.08 -0.56 1.89 -0.65 0.00 0.00 0.00 175.10 175.86 3g1j h PRO 48 N 8.41 1.07 -0.28 2.72 0.11 -1.96 -1.11 132.00 140.96 3g1j h PRO 48 Ca -0.22 -0.06 -0.02 0.00 0.11 0.00 0.00 66.00 65.80 3g1j h PRO 48 Cb 1.08 -0.24 -0.01 0.00 0.11 0.00 0.00 31.00 31.93 3g1j h PRO 48 CO 0.78 0.71 0.09 -0.92 -0.21 0.00 0.00 178.00 178.45 3g1j h TYR 49 N 1.11 0.39 -0.02 0.65 3.20 -1.98 -2.45 116.97 117.86 3g1j h TYR 49 Ca 0.32 -0.01 0.00 0.00 3.14 0.00 0.00 58.73 62.18 3g1j h TYR 49 Cb -0.07 -0.12 0.00 0.00 1.54 0.00 0.00 36.73 38.08 3g1j h TYR 49 CO -0.02 0.33 -0.14 0.39 -1.64 0.00 0.00 178.16 177.08 3g1j n GLU 50 N -4.40 1.78 -3.55 1.82 1.02 -1.00 -4.95 120.64 111.36 3g1j n GLU 50 Ca 0.01 -1.49 -0.26 0.00 -0.02 0.00 0.00 57.16 55.40 3g1j n GLU 50 Cb 0.14 -1.41 0.01 0.00 -0.02 0.00 0.00 31.44 30.17 3g1j n GLU 50 CO 0.00 0.00 0.00 0.43 1.18 0.00 0.00 177.13 178.74 3g1j n SER 51 N 0.78 -4.36 -4.43 1.62 7.64 -0.52 -4.74 113.62 109.62 3g1j n SER 51 Ca 0.11 -0.54 -0.44 0.00 1.01 0.00 0.00 58.87 59.01 3g1j n SER 51 Cb 0.50 -3.55 -0.06 0.00 -1.01 0.00 0.00 64.21 60.09 3g1j n SER 51 CO 0.00 0.00 0.00 -0.83 -3.01 0.00 0.00 175.04 171.20 3g1j s GLY 52 N -2.94 1.85 -0.35 0.23 0.00 -0.61 -0.36 107.32 105.13 3g1j s GLY 52 Ca 0.50 -1.88 -0.14 0.00 0.00 0.00 0.00 44.72 43.20 3g1j s GLY 52 CO 0.61 1.36 0.28 -2.27 0.00 0.00 0.00 173.10 173.09 3g1j s LEU 53 N 2.36 4.61 -0.25 0.66 2.96 0.37 -0.72 118.68 128.66 3g1j s LEU 53 Ca 0.12 -0.47 -0.13 0.00 -0.22 0.00 0.00 54.13 53.42 3g1j s LEU 53 Cb -0.21 -2.19 -0.04 0.00 0.50 0.00 0.00 46.19 44.25 3g1j s LEU 53 CO 0.10 -0.30 0.29 -0.44 -1.32 0.00 0.00 176.35 174.69 3g1j s SER 54 N 1.72 6.21 -0.35 3.68 0.01 0.63 -0.38 113.70 125.21 3g1j s SER 54 Ca 0.07 0.23 -0.11 0.00 1.31 0.00 0.00 55.95 57.45 3g1j s SER 54 Cb -0.17 -2.17 0.01 0.00 0.21 0.00 0.00 66.02 63.90 3g1j s SER 54 CO 0.11 -0.08 0.20 -0.76 0.41 0.00 0.00 173.24 173.11 3g1j s LEU 55 N 1.65 4.54 -0.13 2.44 1.43 -0.01 -1.46 118.68 127.14 3g1j s LEU 55 Ca 0.12 -0.80 -0.19 0.00 -1.03 0.00 0.00 54.13 52.23 3g1j s LEU 55 Cb -0.15 -2.03 -0.04 0.00 0.03 0.00 0.00 46.19 44.00 3g1j s LEU 55 CO 0.09 -0.32 0.52 -0.36 0.23 0.00 0.00 176.35 176.51 3g1j s PHE 56 N 1.59 3.48 0.19 0.29 0.08 -0.36 -0.67 117.98 122.59 3g1j s PHE 56 Ca 0.03 0.91 0.07 0.00 0.12 0.00 0.00 56.93 58.06 3g1j s PHE 56 Cb -0.18 -2.62 -0.05 0.00 -0.57 0.00 0.00 43.02 39.60 3g1j s PHE 56 CO 0.07 0.08 -0.14 -0.06 -0.10 0.00 0.00 175.22 175.08 3g1j s PHE 57 N 0.92 1.61 -0.22 0.36 0.08 -0.35 -0.60 117.98 119.78 3g1j s PHE 57 Ca 0.27 -0.60 -0.09 0.00 0.12 0.00 0.00 56.93 56.63 3g1j s PHE 57 Cb -0.15 -0.76 -0.04 0.00 -0.57 0.00 0.00 43.02 41.49 3g1j s PHE 57 CO 0.11 0.29 0.11 0.34 -0.10 0.00 0.00 175.22 175.97 3g1j s ASP 58 N -3.20 5.73 -0.19 1.36 2.15 0.26 0.55 116.67 123.33 3g1j s ASP 58 Ca 0.20 0.03 0.01 0.00 0.43 0.00 0.00 52.55 53.22 3g1j s ASP 58 Cb -0.01 -2.02 0.04 0.00 -0.30 0.00 0.00 42.92 40.63 3g1j s ASP 58 CO 0.05 0.08 -0.13 -0.75 -0.17 0.00 0.00 175.17 174.25 3g1j s LYS 59 N 0.93 2.32 -1.53 4.34 2.20 -0.31 -1.67 119.74 126.02 3g1j s LYS 59 Ca 0.05 -0.84 -0.09 0.00 -0.36 0.00 0.00 55.97 54.74 3g1j s LYS 59 Cb -0.13 -2.44 0.07 0.00 -1.51 0.00 0.00 37.83 33.82 3g1j s LYS 59 CO 0.03 -0.36 0.67 0.09 -0.36 0.00 0.00 175.35 175.42 3g1j n ASN 60 N 4.66 -2.22 0.00 1.43 3.02 -1.26 -2.25 115.26 118.64 3g1j n ASN 60 Ca -0.16 -0.95 0.00 0.00 -0.03 0.00 0.00 54.58 53.43 3g1j n ASN 60 Cb 0.47 -3.17 0.00 0.00 -0.61 0.00 0.00 39.78 36.47 3g1j n ASN 60 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 3g1j n GLY 61 N -1.70 1.07 3.22 7.41 0.00 -1.26 -5.04 105.19 108.88 3g1j n GLY 61 Ca -0.11 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.62 3g1j n GLY 61 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3g1j s SER 62 N -2.80 2.58 0.08 1.61 1.04 -0.95 -5.11 113.70 110.15 3g1j s SER 62 Ca 0.00 -0.41 -0.31 0.00 0.48 0.00 0.00 55.95 55.71 3g1j s SER 62 Cb 0.00 -0.50 -0.07 0.00 0.10 0.00 0.00 66.02 65.56 3g1j s SER 62 CO 0.00 0.23 1.28 -0.70 0.98 0.00 0.00 173.24 175.03 3g1j s GLU 63 N -0.29 4.39 -0.03 4.02 2.12 -1.26 -1.16 118.70 126.48 3g1j s GLU 63 Ca 0.02 1.90 0.03 0.00 0.36 0.00 0.00 54.97 57.28 3g1j s GLU 63 Cb -0.10 -3.31 -0.03 0.00 0.26 0.00 0.00 34.13 30.95 3g1j s GLU 63 CO 0.01 -0.33 -0.11 1.03 -0.54 0.00 0.00 175.26 175.32 3g1j s ARG 64 N 1.08 2.53 -0.42 4.30 1.81 0.19 -4.95 118.95 123.49 3g1j s ARG 64 Ca 0.61 -0.70 -0.11 0.00 -1.72 0.00 0.00 55.73 53.81 3g1j s ARG 64 Cb -0.32 -2.44 0.06 0.00 -0.45 0.00 0.00 34.95 31.80 3g1j s ARG 64 CO 0.30 0.62 0.28 -1.14 -0.68 0.00 0.00 175.30 174.67 3g1j s GLN 65 N -0.98 2.75 0.59 3.54 0.74 -1.26 -1.22 119.66 123.82 3g1j s GLN 65 Ca 0.13 -1.33 -0.06 0.00 0.05 0.00 0.00 55.36 54.16 3g1j s GLN 65 Cb -0.11 -3.85 0.13 0.00 1.10 0.00 0.00 33.01 30.28 3g1j s GLN 65 CO 0.03 -0.90 0.80 -0.89 -0.55 0.00 0.00 175.29 173.78 3g1j n ILE 66 N 5.01 0.00 0.00 -2.34 5.41 0.16 -4.92 119.36 122.68 3g1j n ILE 66 Ca -0.11 -0.88 0.00 0.00 1.00 0.00 0.00 62.75 62.76 3g1j n ILE 66 Cb 0.44 -1.35 0.00 0.00 -0.71 0.00 0.00 39.64 38.02 3g1j n ILE 66 CO 0.00 0.00 0.00 0.18 0.00 0.00 0.00 176.55 176.73 3g1j n LEU 68 N 0.00 0.00 -4.61 1.39 4.77 0.48 -0.83 117.00 118.20 3g1j n LEU 68 Ca 0.11 0.00 -0.43 0.00 -0.03 0.00 0.00 56.01 55.67 3g1j n LEU 68 Cb 0.40 0.00 -0.03 0.00 -2.33 0.00 0.00 43.42 41.46 3g1j n LEU 68 CO 0.28 0.00 0.83 0.00 -1.33 0.00 0.00 177.39 177.17 3g1j n VAL 70 N 6.12 3.76 -3.92 0.00 0.31 0.51 -1.11 118.33 123.99 3g1j n VAL 70 Ca 0.08 -3.51 -0.10 0.00 -0.01 0.00 0.00 64.34 60.80 3g1j n VAL 70 Cb 0.48 -2.52 -0.10 0.00 -0.91 0.00 0.00 33.84 30.79 3g1j n VAL 70 CO 0.00 0.00 0.00 -0.13 -1.32 0.00 0.00 176.83 175.38 3g1j s ARG 71 N 2.39 0.48 0.42 5.55 0.52 -1.26 -4.96 118.95 122.10 3g1j s ARG 71 Ca 0.45 -0.60 0.14 0.00 -0.52 0.00 0.00 55.73 55.20 3g1j s ARG 71 Cb 0.12 0.19 1.00 0.00 0.52 0.00 0.00 34.95 36.78 3g1j s ARG 71 CO -0.05 -0.11 1.96 -1.35 0.02 0.00 0.00 175.30 175.76 3g1j h PRO 72 N 4.11 0.44 0.00 3.54 0.11 -1.97 -0.01 132.00 138.22 3g1j h PRO 72 Ca -0.32 -0.03 -0.03 0.00 0.11 0.00 0.00 66.00 65.74 3g1j h PRO 72 Cb 1.19 -0.10 -0.00 0.00 0.11 0.00 0.00 31.00 32.20 3g1j h PRO 72 CO 0.45 0.29 -0.14 1.49 -0.21 0.00 0.00 178.00 179.88 3g1j h GLU 73 N 0.45 0.00 0.00 1.05 4.81 -1.97 -3.44 114.58 115.48 3g1j h GLU 73 Ca 0.31 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.54 3g1j h GLU 73 Cb 0.62 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.00 3g1j h GLU 73 CO -0.10 0.14 0.00 1.19 -0.73 0.00 0.00 179.01 179.51 3g1j n PHE 74 N -4.30 0.00 -3.81 0.92 3.72 -0.03 -5.15 117.46 108.81 3g1j n PHE 74 Ca -0.03 0.00 -0.35 0.00 -0.05 0.00 0.00 57.45 57.03 3g1j n PHE 74 Cb 0.21 0.00 -0.12 0.00 -0.94 0.00 0.00 39.48 38.64 3g1j n PHE 74 CO 0.00 0.00 0.00 -0.65 -0.05 0.00 0.00 176.76 176.06 3g1j s GLN 75 N 1.77 2.16 0.00 -1.08 1.11 -0.27 -4.89 119.66 118.46 3g1j s GLN 75 Ca 0.00 -2.25 0.00 0.00 0.01 0.00 0.00 55.36 53.12 3g1j s GLN 75 Cb 0.00 -3.55 0.00 0.00 -1.01 0.00 0.00 33.01 28.45 3g1j s GLN 75 CO 0.00 -1.10 0.00 -1.91 0.01 0.00 0.00 175.29 172.29 3g1j n GLU 77 N 3.85 0.00 0.10 2.91 4.07 -1.26 -1.19 120.64 129.11 3g1j n GLU 77 Ca 0.04 0.00 -0.13 0.00 -0.06 0.00 0.00 57.16 57.01 3g1j n GLU 77 Cb 0.38 0.00 -0.08 0.00 -0.06 0.00 0.00 31.44 31.68 3g1j n GLU 77 CO 0.00 0.00 0.00 0.82 -0.06 0.00 0.00 177.13 177.89 3g1j h ILE 78 N 0.00 0.93 -0.73 6.31 2.04 -1.90 -2.80 117.51 121.36 3g1j h ILE 78 Ca 0.00 -0.66 0.10 0.00 1.00 0.00 0.00 64.86 65.31 3g1j h ILE 78 Cb 0.00 1.31 -0.05 0.00 -0.74 0.00 0.00 36.82 37.34 3g1j h ILE 78 CO 0.00 0.15 0.48 0.00 0.00 0.00 0.00 178.15 178.78 3g1j h ALA 79 N 0.15 1.89 -0.01 1.87 0.00 -1.56 -2.31 119.26 119.30 3g1j h ALA 79 Ca -0.03 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.88 3g1j h ALA 79 Cb 0.43 -0.13 0.00 0.00 0.00 0.00 0.00 17.79 18.10 3g1j h ALA 79 CO 0.04 -0.05 -0.18 0.72 0.00 0.00 0.00 179.25 179.78 3g1j n HIS 80 N -4.49 0.00 -2.82 0.00 8.25 -1.21 -4.33 115.22 110.61 3g1j n HIS 80 Ca 0.12 0.00 -0.11 0.00 -0.26 0.00 0.00 57.72 57.47 3g1j n HIS 80 Cb 0.37 -0.10 0.04 0.00 1.12 0.00 0.00 29.99 31.42 3g1j n HIS 80 CO 0.00 0.00 0.00 0.72 0.64 0.00 0.00 176.34 177.70 3g1j n HIS 81 N -0.48 -0.39 0.24 4.41 8.25 -0.89 -4.98 115.22 121.38 3g1j n HIS 81 Ca 0.14 -2.81 0.09 0.00 -0.26 0.00 0.00 57.72 54.87 3g1j n HIS 81 Cb 0.34 0.28 0.61 0.00 1.12 0.00 0.00 29.99 32.34 3g1j n HIS 81 CO 0.00 0.00 0.00 -0.07 0.64 0.00 0.00 176.34 176.91 3g1j h LEU 82 N 2.81 0.00 0.00 2.41 3.38 -1.71 -0.84 115.31 121.36 3g1j h LEU 82 Ca -0.08 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.89 3g1j h LEU 82 Cb 1.13 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.88 3g1j h LEU 82 CO 0.34 0.16 0.00 -0.90 0.09 0.00 0.00 178.44 178.12 3g1j n ASP 83 N -4.01 0.00 0.09 -0.43 5.75 -1.26 -0.59 116.55 116.09 3g1j n ASP 83 Ca -0.02 0.25 0.13 0.00 -0.01 0.00 0.00 54.79 55.14 3g1j n ASP 83 Cb 0.24 -0.39 0.41 0.00 -1.03 0.00 0.00 41.12 40.35 3g1j n ASP 83 CO 0.00 0.00 0.00 -1.20 -0.11 0.00 0.00 177.20 175.89 3g1j n SER 84 N -1.39 0.71 -0.01 -1.12 7.64 -0.32 -4.30 113.62 114.83 3g1j n SER 84 Ca 0.07 0.53 -0.00 0.00 1.01 0.00 0.00 58.87 60.47 3g1j n SER 84 Cb 0.19 -0.68 -0.01 0.00 -1.01 0.00 0.00 64.21 62.69 3g1j n SER 84 CO 0.00 0.00 0.00 -1.22 -3.01 0.00 0.00 175.04 170.81 3g1j n TYR 85 N -2.16 0.00 -4.63 1.43 4.01 -0.42 -3.86 117.16 111.54 3g1j n TYR 85 Ca 0.06 0.00 -0.24 0.00 -0.16 0.00 0.00 57.90 57.55 3g1j n TYR 85 Cb 0.42 -0.07 -0.16 0.00 -0.31 0.00 0.00 39.34 39.21 3g1j n TYR 85 CO 0.00 0.00 0.00 -0.06 -0.46 0.00 0.00 176.86 176.34 3g1j s PHE 86 N -2.06 1.45 -0.07 -0.72 0.08 0.24 -0.31 117.98 116.59 3g1j s PHE 86 Ca -0.01 -0.48 0.04 0.00 0.12 0.00 0.00 56.93 56.61 3g1j s PHE 86 Cb 0.01 -1.03 -0.00 0.00 -0.57 0.00 0.00 43.02 41.42 3g1j s PHE 86 CO 0.07 -0.22 -0.21 0.00 -0.10 0.00 0.00 175.22 174.77 3g1j n LYS 88 N 3.32 1.85 -0.29 0.00 4.81 -1.26 -0.99 118.16 125.60 3g1j n LYS 88 Ca -0.19 0.67 0.00 0.00 -0.87 0.00 0.00 58.31 57.92 3g1j n LYS 88 Cb 0.52 -2.40 0.00 0.00 0.02 0.00 0.00 35.03 33.17 3g1j n LYS 88 CO 0.00 0.00 0.00 1.28 1.17 0.00 0.00 177.40 179.85