#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2khj h PHE 2 N 0.00 0.10 -1.05 3.17 -0.00 -1.84 -3.38 116.94 113.94 2khj h PHE 2 Ca 0.00 -0.02 0.29 0.00 -0.00 0.00 0.00 57.97 58.24 2khj h PHE 2 Cb 0.00 -0.03 -0.06 0.00 -0.00 0.00 0.00 35.95 35.86 2khj h PHE 2 CO 0.00 0.40 0.73 -0.97 -0.00 0.00 0.00 178.31 178.47 2khj h ASN 3 N 0.08 0.19 0.00 -0.68 -0.00 -1.97 0.79 115.58 113.99 2khj h ASN 3 Ca 0.01 0.03 -0.00 0.00 -0.00 0.00 0.00 56.30 56.34 2khj h ASN 3 Cb 0.61 0.00 0.00 0.00 -0.00 0.00 0.00 38.32 38.93 2khj h ASN 3 CO 0.04 0.04 -0.00 0.78 -0.00 0.00 0.00 177.43 178.29 2khj h ASN 4 N 0.17 -0.00 -0.77 1.15 4.21 -1.95 -3.42 115.58 114.96 2khj h ASN 4 Ca 0.54 -0.86 0.20 0.00 1.21 0.00 0.00 56.30 57.39 2khj h ASN 4 Cb 1.81 0.00 -0.04 0.00 -1.12 0.00 0.00 38.32 38.97 2khj h ASN 4 CO -0.12 0.87 0.54 -0.25 -1.29 0.00 0.00 177.43 177.17 2khj h TRP 5 N -0.89 0.21 -1.09 1.19 7.01 -1.02 -3.31 115.95 118.03 2khj h TRP 5 Ca -0.00 0.01 0.32 0.00 2.11 0.00 0.00 58.89 61.32 2khj h TRP 5 Cb 0.86 -0.06 -0.05 0.00 -2.10 0.00 0.00 29.16 27.81 2khj h TRP 5 CO 0.23 0.06 0.78 0.28 -2.79 0.00 0.00 178.44 177.01 2khj h VAL 6 N 0.16 0.46 -0.09 2.65 2.07 -1.79 0.18 116.25 119.89 2khj h VAL 6 Ca 0.38 -0.01 -0.06 0.00 0.82 0.00 0.00 66.70 67.83 2khj h VAL 6 Cb 1.24 0.43 -0.01 0.00 -1.52 0.00 0.00 31.29 31.44 2khj h VAL 6 CO -0.06 0.00 -0.20 0.00 0.02 0.00 0.00 177.57 177.33 2khj h ALA 7 N 1.46 1.50 0.05 1.67 0.00 -1.91 -3.38 119.26 118.65 2khj h ALA 7 Ca 0.53 -0.23 -0.38 0.00 0.00 0.00 0.00 54.91 54.82 2khj h ALA 7 Cb 2.06 -0.07 -0.05 0.00 0.00 0.00 0.00 17.79 19.74 2khj h ALA 7 CO -0.02 0.36 -2.27 -0.11 0.00 0.00 0.00 179.25 177.21 2khj n LEU 8 N -4.24 2.79 -4.31 0.00 7.94 0.64 -5.07 117.00 114.76 2khj n LEU 8 Ca -0.01 0.02 -0.18 0.00 -1.11 0.00 0.00 56.01 54.73 2khj n LEU 8 Cb 0.30 -0.99 -0.10 0.00 0.53 0.00 0.00 43.42 43.15 2khj n LEU 8 CO 0.38 0.88 -0.45 0.21 -1.11 0.00 0.00 177.39 177.31 2khj s ASN 9 N -6.76 2.36 0.03 1.96 3.84 -1.19 -5.16 114.94 110.01 2khj s ASN 9 Ca -0.30 -0.95 0.00 0.00 0.21 0.00 0.00 52.86 51.82 2khj s ASN 9 Cb 0.08 -0.11 -0.04 0.00 -0.55 0.00 0.00 41.25 40.64 2khj s ASN 9 CO 0.66 -0.16 0.12 -0.54 -2.79 0.00 0.00 177.10 174.39 2khj s LYS 10 N -3.31 3.14 -0.01 0.43 3.01 -1.26 -4.74 119.74 117.00 2khj s LYS 10 Ca 0.18 -0.51 -0.30 0.00 -1.01 0.00 0.00 55.97 54.33 2khj s LYS 10 Cb -0.02 -2.89 -0.05 0.00 -1.01 0.00 0.00 37.83 33.86 2khj s LYS 10 CO 0.05 0.62 1.28 0.15 0.51 0.00 0.00 175.35 177.96 2khj s LYS 11 N -2.07 4.34 0.00 1.68 1.02 -1.26 -2.49 119.74 120.95 2khj s LYS 11 Ca 0.27 1.80 0.00 0.00 0.02 0.00 0.00 55.97 58.07 2khj s LYS 11 Cb -0.12 -3.52 0.00 0.00 -0.52 0.00 0.00 37.83 33.66 2khj s LYS 11 CO 0.19 -0.47 0.00 0.41 -0.92 0.00 0.00 175.35 174.57 2khj n GLY 12 N 3.45 0.52 3.98 -3.33 0.00 0.28 -4.97 105.19 105.11 2khj n GLY 12 Ca 0.11 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 45.93 2khj n GLY 12 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2khj s ALA 13 N -2.00 4.11 -0.06 4.61 0.00 -1.04 -4.86 121.76 122.52 2khj s ALA 13 Ca 0.00 -1.36 0.04 0.00 0.00 0.00 0.00 51.96 50.65 2khj s ALA 13 Cb 0.00 -1.79 -0.02 0.00 0.00 0.00 0.00 23.12 21.31 2khj s ALA 13 CO 0.00 -0.12 -0.19 0.96 0.00 0.00 0.00 175.76 176.41 2khj s ILE 14 N -2.27 2.61 0.18 0.00 -0.00 -1.26 0.71 121.20 121.17 2khj s ILE 14 Ca 0.46 -0.87 0.01 0.00 -0.00 0.00 0.00 60.65 60.25 2khj s ILE 14 Cb -0.10 -2.00 -0.05 0.00 -0.00 0.00 0.00 42.46 40.32 2khj s ILE 14 CO 0.33 0.57 0.03 0.68 -0.00 0.00 0.00 174.94 176.55 2khj s VAL 15 N -0.33 0.51 -0.16 8.37 -7.23 -0.42 -4.95 120.40 116.19 2khj s VAL 15 Ca 0.02 -1.97 -0.02 0.00 -1.81 0.00 0.00 61.98 58.20 2khj s VAL 15 Cb -0.13 -2.21 -0.02 0.00 0.56 0.00 0.00 36.38 34.59 2khj s VAL 15 CO 0.02 -0.37 -0.07 0.42 -0.31 0.00 0.00 175.10 174.79 2khj s THR 16 N -3.77 3.47 0.29 5.32 -4.23 -1.26 -0.85 115.64 114.61 2khj s THR 16 Ca 0.27 -0.50 0.08 0.00 -1.18 0.00 0.00 61.69 60.36 2khj s THR 16 Cb 0.07 -2.51 -0.06 0.00 1.34 0.00 0.00 72.50 71.34 2khj s THR 16 CO 0.05 0.49 -0.08 -0.83 -0.54 0.00 0.00 174.62 173.72 2khj s GLY 17 N 0.57 1.92 -0.07 3.99 0.00 -0.09 -4.83 107.32 108.80 2khj s GLY 17 Ca -0.05 -1.94 0.04 0.00 0.00 0.00 0.00 44.72 42.77 2khj s GLY 17 CO 0.03 -1.90 -0.20 -1.59 0.00 0.00 0.00 173.10 169.44 2khj s LYS 18 N -3.68 2.66 0.17 2.90 -2.85 0.47 -1.10 119.74 118.31 2khj s LYS 18 Ca 0.30 -0.81 -0.31 0.00 -1.00 0.00 0.00 55.97 54.15 2khj s LYS 18 Cb 0.03 -2.30 -0.09 0.00 -2.06 0.00 0.00 37.83 33.41 2khj s LYS 18 CO 0.13 0.43 1.45 0.54 0.10 0.00 0.00 175.35 178.00 2khj s VAL 19 N -0.25 2.94 0.00 1.79 0.11 -0.53 0.68 120.40 125.14 2khj s VAL 19 Ca -0.00 0.70 0.00 0.00 -2.93 0.00 0.00 61.98 59.75 2khj s VAL 19 Cb -0.13 -3.45 0.00 0.00 -1.53 0.00 0.00 36.38 31.27 2khj s VAL 19 CO 0.03 0.07 0.00 0.35 -3.33 0.00 0.00 175.10 172.22 2khj n THR 20 N 3.50 0.00 -3.63 5.04 -2.24 -0.37 0.28 114.28 116.85 2khj n THR 20 Ca 0.11 0.00 -0.12 0.00 -2.27 0.00 0.00 64.05 61.77 2khj n THR 20 Cb 0.41 -0.69 -0.07 0.00 -2.10 0.00 0.00 70.33 67.87 2khj n THR 20 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2khj s ALA 21 N -1.80 -1.85 0.07 6.98 0.00 -1.23 -4.99 121.76 118.95 2khj s ALA 21 Ca 0.00 2.01 0.08 0.00 0.00 0.00 0.00 51.96 54.05 2khj s ALA 21 Cb 0.00 -1.28 -0.03 0.00 0.00 0.00 0.00 23.12 21.81 2khj s ALA 21 CO 0.00 -0.31 -0.20 0.14 0.00 0.00 0.00 175.76 175.39 2khj s VAL 22 N 0.42 2.65 0.42 0.00 -7.23 -1.26 -0.56 120.40 114.83 2khj s VAL 22 Ca 0.00 -1.37 0.08 0.00 -1.81 0.00 0.00 61.98 58.88 2khj s VAL 22 Cb -0.05 -2.14 -0.02 0.00 0.56 0.00 0.00 36.38 34.73 2khj s VAL 22 CO -0.03 0.24 0.40 -1.81 -0.31 0.00 0.00 175.10 173.60 2khj s ASP 23 N -1.68 5.12 0.23 4.85 1.01 0.03 -4.93 116.67 121.30 2khj s ASP 23 Ca 0.15 -0.70 -0.07 0.00 0.71 0.00 0.00 52.55 52.64 2khj s ASP 23 Cb -0.10 -0.59 0.41 0.00 1.01 0.00 0.00 42.92 43.65 2khj s ASP 23 CO 0.06 -0.66 1.68 0.00 0.21 0.00 0.00 175.17 176.46 2khj h ALA 24 N 0.99 0.84 -0.03 5.23 0.00 -2.01 -1.75 119.26 122.53 2khj h ALA 24 Ca -0.41 0.18 0.00 0.00 0.00 0.00 0.00 54.91 54.68 2khj h ALA 24 Cb 1.27 0.27 0.00 0.00 0.00 0.00 0.00 17.79 19.32 2khj h ALA 24 CO 0.56 -0.36 0.00 0.36 0.00 0.00 0.00 179.25 179.81 2khj n LYS 25 N -5.20 1.15 -4.09 0.00 0.00 -1.26 -4.93 118.16 103.82 2khj n LYS 25 Ca 0.13 -1.43 -0.29 0.00 -0.00 0.00 0.00 58.31 56.72 2khj n LYS 25 Cb 0.43 -1.29 -0.07 0.00 -0.00 0.00 0.00 35.03 34.10 2khj n LYS 25 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.40 177.60 2khj s GLY 26 N -1.27 1.88 -0.04 2.58 0.00 -0.66 -2.47 107.32 107.35 2khj s GLY 26 Ca 0.18 -1.13 -0.03 0.00 0.00 0.00 0.00 44.72 43.74 2khj s GLY 26 CO 0.19 -1.12 0.09 0.00 0.00 0.00 0.00 173.10 172.27 2khj s ALA 27 N -1.50 -0.21 -0.15 3.20 0.00 -0.64 -0.79 121.76 121.67 2khj s ALA 27 Ca 0.29 0.33 -0.03 0.00 0.00 0.00 0.00 51.96 52.54 2khj s ALA 27 Cb -0.11 -0.20 -0.03 0.00 0.00 0.00 0.00 23.12 22.78 2khj s ALA 27 CO 0.21 -0.07 -0.04 0.99 0.00 0.00 0.00 175.76 176.85 2khj s THR 28 N 0.31 3.84 -0.07 0.00 2.01 0.27 -0.45 115.64 121.56 2khj s THR 28 Ca -0.02 -0.38 0.03 0.00 0.31 0.00 0.00 61.69 61.63 2khj s THR 28 Cb -0.03 -2.68 -0.02 0.00 0.01 0.00 0.00 72.50 69.78 2khj s THR 28 CO -0.01 0.50 -0.14 0.54 -0.69 0.00 0.00 174.62 174.82 2khj s VAL 29 N 0.32 3.08 -0.20 3.82 0.11 -1.21 -1.24 120.40 125.10 2khj s VAL 29 Ca -0.04 -0.70 -0.17 0.00 -2.93 0.00 0.00 61.98 58.13 2khj s VAL 29 Cb -0.14 -2.23 -0.03 0.00 -1.53 0.00 0.00 36.38 32.45 2khj s VAL 29 CO 0.03 0.58 0.47 -0.70 -3.33 0.00 0.00 175.10 172.15 2khj s GLU 30 N -0.49 4.19 0.00 1.54 -6.30 0.21 -1.82 118.70 116.03 2khj s GLU 30 Ca 0.06 0.34 0.19 0.00 -2.50 0.00 0.00 54.97 53.07 2khj s GLU 30 Cb -0.12 -3.55 0.08 0.00 0.00 0.00 0.00 34.13 30.54 2khj s GLU 30 CO 0.02 -0.10 1.04 1.28 0.02 0.00 0.00 175.26 177.52 2khj n LEU 31 N 4.64 2.23 -0.42 2.70 7.99 0.10 -0.40 117.00 133.85 2khj n LEU 31 Ca -0.06 -0.88 0.00 0.00 -0.01 0.00 0.00 56.01 55.06 2khj n LEU 31 Cb 0.51 0.00 0.00 0.00 -0.11 0.00 0.00 43.42 43.82 2khj n LEU 31 CO 0.41 0.40 -0.12 0.00 -1.51 0.00 0.00 177.39 176.57 2khj n ALA 32 N 0.52 -1.58 -0.47 -1.18 0.00 -1.20 -4.79 120.51 111.82 2khj n ALA 32 Ca 0.10 0.12 0.00 0.00 0.00 0.00 0.00 53.44 53.66 2khj n ALA 32 Cb 0.45 -0.74 0.00 0.00 0.00 0.00 0.00 19.45 19.16 2khj n ALA 32 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.50 174.03 2khj n ASP 33 N -1.02 -1.34 -0.09 0.00 2.03 -1.26 -3.81 116.55 111.06 2khj n ASP 33 Ca 0.00 0.00 0.00 0.00 0.52 0.00 0.00 54.79 55.31 2khj n ASP 33 Cb 0.01 -0.22 0.00 0.00 -0.72 0.00 0.00 41.12 40.18 2khj n ASP 33 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 2khj n GLY 34 N -2.45 1.20 3.61 0.27 0.00 -1.26 -5.05 105.19 101.51 2khj n GLY 34 Ca 0.00 -0.28 -0.32 0.00 0.00 0.00 0.00 46.02 45.43 2khj n GLY 34 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2khj s VAL 35 N -2.18 3.70 0.14 1.61 1.01 -1.25 -4.09 120.40 119.34 2khj s VAL 35 Ca 0.00 -0.85 0.07 0.00 0.00 0.00 0.00 61.98 61.20 2khj s VAL 35 Cb 0.00 -2.65 -0.04 0.00 0.00 0.00 0.00 36.38 33.69 2khj s VAL 35 CO 0.00 0.32 -0.16 -1.61 0.00 0.00 0.00 175.10 173.65 2khj s GLU 36 N -1.65 1.13 0.00 2.72 2.02 -1.26 0.01 118.70 121.67 2khj s GLU 36 Ca 0.19 -1.31 0.00 0.00 0.02 0.00 0.00 54.97 53.87 2khj s GLU 36 Cb -0.11 -1.07 0.00 0.00 0.10 0.00 0.00 34.13 33.04 2khj s GLU 36 CO 0.10 0.21 0.00 0.41 0.02 0.00 0.00 175.26 176.00 2khj n GLY 37 N 0.42 3.73 3.55 -1.39 0.00 -0.76 -4.50 105.19 106.25 2khj n GLY 37 Ca -0.14 -0.67 -0.34 0.00 0.00 0.00 0.00 46.02 44.87 2khj n GLY 37 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 2khj s TYR 38 N -1.05 2.90 -0.30 1.61 2.02 -1.26 -3.31 117.35 117.95 2khj s TYR 38 Ca 0.00 -0.06 -0.02 0.00 -0.37 0.00 0.00 57.07 56.62 2khj s TYR 38 Cb 0.00 -1.72 0.05 0.00 -0.40 0.00 0.00 41.96 39.89 2khj s TYR 38 CO 0.00 0.25 0.00 -1.17 -1.57 0.00 0.00 175.55 173.07 2khj s LEU 39 N -0.65 3.91 0.10 -1.29 0.20 0.41 -4.41 118.68 116.95 2khj s LEU 39 Ca 0.10 -1.26 -0.29 0.00 0.69 0.00 0.00 54.13 53.37 2khj s LEU 39 Cb -0.11 -1.72 -0.06 0.00 -0.43 0.00 0.00 46.19 43.87 2khj s LEU 39 CO 0.02 -0.26 0.90 -0.13 -0.29 0.00 0.00 176.35 176.59 2khj s ARG 40 N 1.26 4.65 0.17 1.98 3.00 -1.26 -1.63 118.95 127.13 2khj s ARG 40 Ca -0.05 1.35 -0.07 0.00 0.00 0.00 0.00 55.73 56.95 2khj s ARG 40 Cb -0.20 -3.36 0.05 0.00 0.00 0.00 0.00 34.95 31.44 2khj s ARG 40 CO -0.01 0.26 1.52 0.00 0.00 0.00 0.00 175.30 177.07 2khj h ALA 41 N 5.46 0.68 0.00 2.13 0.00 -1.70 -2.67 119.26 123.15 2khj h ALA 41 Ca -0.43 -0.45 0.00 0.00 0.00 0.00 0.00 54.91 54.02 2khj h ALA 41 Cb 1.21 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 18.88 2khj h ALA 41 CO 0.71 0.67 0.00 0.77 0.00 0.00 0.00 179.25 181.40 2khj h SER 42 N 0.65 0.00 0.00 0.00 0.02 -1.83 -2.29 113.55 110.10 2khj h SER 42 Ca 0.05 0.00 -0.35 0.00 -0.84 0.00 0.00 61.79 60.66 2khj h SER 42 Cb 0.96 0.00 -0.05 0.00 0.14 0.00 0.00 62.40 63.44 2khj h SER 42 CO 0.09 0.00 -2.17 -0.62 -1.14 0.00 0.00 176.83 172.99 2khj n GLU 43 N -3.05 0.45 -0.19 3.45 1.02 -1.18 -4.89 120.64 116.25 2khj n GLU 43 Ca -0.02 0.19 0.01 0.00 -0.02 0.00 0.00 57.16 57.32 2khj n GLU 43 Cb 0.14 -1.26 0.01 0.00 -0.02 0.00 0.00 31.44 30.31 2khj n GLU 43 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 2khj n ALA 44 N -3.85 1.55 -2.83 0.62 0.00 -1.01 -4.98 120.51 110.00 2khj n ALA 44 Ca -0.41 -0.88 -0.08 0.00 0.00 0.00 0.00 53.44 52.08 2khj n ALA 44 Cb 0.80 -0.21 0.01 0.00 0.00 0.00 0.00 19.45 20.05 2khj n ALA 44 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.50 177.93 2khj n SER 45 N -0.15 -2.94 -3.43 0.00 7.64 -0.87 -5.00 113.62 108.87 2khj n SER 45 Ca 0.01 -2.97 -0.16 0.00 1.01 0.00 0.00 58.87 56.76 2khj n SER 45 Cb 0.56 1.50 -0.11 0.00 -1.01 0.00 0.00 64.21 65.15 2khj n SER 45 CO 0.00 0.00 0.00 -0.13 -3.01 0.00 0.00 175.04 171.90 2khj s ARG 46 N 0.68 0.26 -0.20 1.43 1.81 -1.19 -4.33 118.95 117.42 2khj s ARG 46 Ca 0.31 0.15 0.08 0.00 -1.72 0.00 0.00 55.73 54.55 2khj s ARG 46 Cb 0.07 -0.89 -0.18 0.00 -0.45 0.00 0.00 34.95 33.50 2khj s ARG 46 CO -0.12 -0.77 -0.08 -0.40 -0.68 0.00 0.00 175.30 173.24 2khj n ASP 47 N 5.32 1.59 0.00 0.23 5.68 -0.92 -5.01 116.55 123.43 2khj n ASP 47 Ca -0.04 -0.07 0.00 0.00 -0.50 0.00 0.00 54.79 54.18 2khj n ASP 47 Cb 0.49 0.21 0.00 0.00 -1.14 0.00 0.00 41.12 40.68 2khj n ASP 47 CO 0.00 0.00 0.00 -2.11 -1.33 0.00 0.00 177.20 173.76 2khj n ARG 48 N -2.93 0.00 -0.01 0.11 1.85 -1.26 -4.95 116.66 109.47 2khj n ARG 48 Ca -0.34 0.00 0.13 0.00 -1.00 0.00 0.00 57.85 56.64 2khj n ARG 48 Cb 0.98 0.00 0.68 0.00 -1.05 0.00 0.00 32.46 33.08 2khj n ARG 48 CO 0.00 0.00 0.00 1.55 -0.01 0.00 0.00 177.63 179.17 2khj n VAL 49 N 0.00 0.03 -4.88 8.89 3.14 -1.26 -4.66 118.33 119.59 2khj n VAL 49 Ca 0.00 -0.09 -0.33 0.00 -2.96 0.00 0.00 64.34 60.96 2khj n VAL 49 Cb 0.00 -0.14 -0.15 0.00 -1.06 0.00 0.00 33.84 32.50 2khj n VAL 49 CO 0.00 0.00 0.00 -1.61 -6.46 0.00 0.00 176.83 168.76 2khj s GLU 50 N -1.97 3.18 0.00 1.45 2.02 -1.26 -5.03 118.70 117.08 2khj s GLU 50 Ca 0.38 -0.72 0.00 0.00 0.02 0.00 0.00 54.97 54.65 2khj s GLU 50 Cb 0.19 -2.53 0.00 0.00 0.10 0.00 0.00 34.13 31.89 2khj s GLU 50 CO 0.31 0.28 0.00 -0.40 0.02 0.00 0.00 175.26 175.46 2khj n ASP 51 N 3.32 0.00 0.11 -0.19 5.75 -1.26 -2.17 116.55 122.10 2khj n ASP 51 Ca -0.18 0.00 0.06 0.00 -0.01 0.00 0.00 54.79 54.66 2khj n ASP 51 Cb 0.53 0.00 0.32 0.00 -1.03 0.00 0.00 41.12 40.94 2khj n ASP 51 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 2khj n ALA 52 N -3.00 0.86 0.08 2.12 0.00 -1.26 -2.95 120.51 116.35 2khj n ALA 52 Ca 0.00 0.11 -0.16 0.00 0.00 0.00 0.00 53.44 53.39 2khj n ALA 52 Cb 0.00 -1.00 -0.08 0.00 0.00 0.00 0.00 19.45 18.36 2khj n ALA 52 CO 0.00 0.00 0.00 1.79 0.00 0.00 0.00 177.50 179.29 2khj h THR 53 N 0.00 1.39 0.20 0.00 1.35 -1.88 -1.75 112.91 112.23 2khj h THR 53 Ca 0.00 -2.54 -0.31 0.00 -0.55 0.00 0.00 66.41 63.01 2khj h THR 53 Cb 0.22 2.56 0.02 0.00 -1.73 0.00 0.00 68.15 69.22 2khj h THR 53 CO 0.00 0.76 -1.47 0.25 -0.25 0.00 0.00 175.52 174.81 2khj h LEU 54 N 0.23 0.67 -3.01 3.87 6.46 -1.82 -3.42 115.31 118.29 2khj h LEU 54 Ca -0.11 -0.92 0.00 0.00 -0.12 0.00 0.00 57.88 56.72 2khj h LEU 54 Cb 1.72 -0.22 0.00 0.00 -0.73 0.00 0.00 40.66 41.43 2khj h LEU 54 CO 0.19 1.69 0.00 0.55 -0.62 0.00 0.00 178.44 180.24 2khj n VAL 55 N -3.76 1.60 -4.25 1.05 3.14 -1.17 -4.94 118.33 110.00 2khj n VAL 55 Ca -0.20 -1.83 -0.19 0.00 -2.96 0.00 0.00 64.34 59.15 2khj n VAL 55 Cb 1.03 0.01 -0.16 0.00 -1.06 0.00 0.00 33.84 33.67 2khj n VAL 55 CO 0.00 0.00 0.00 -0.76 -6.46 0.00 0.00 176.83 169.61 2khj s LEU 56 N -2.25 1.65 -0.11 6.55 1.02 -0.66 -4.92 118.68 119.97 2khj s LEU 56 Ca 0.22 -0.14 -0.09 0.00 0.02 0.00 0.00 54.13 54.14 2khj s LEU 56 Cb 0.19 -0.45 -0.04 0.00 0.02 0.00 0.00 46.19 45.91 2khj s LEU 56 CO 0.02 0.02 0.20 -0.44 0.02 0.00 0.00 176.35 176.17 2khj s SER 57 N 0.40 6.46 0.13 2.29 0.01 -1.26 -4.65 113.70 117.08 2khj s SER 57 Ca -0.06 0.54 -0.31 0.00 1.31 0.00 0.00 55.95 57.44 2khj s SER 57 Cb -0.10 -2.11 -0.10 0.00 0.21 0.00 0.00 66.02 63.92 2khj s SER 57 CO 0.00 0.36 1.82 -0.69 0.41 0.00 0.00 173.24 175.14 2khj s VAL 58 N -0.84 2.49 0.00 3.43 1.01 -1.26 -2.42 120.40 122.81 2khj s VAL 58 Ca 0.16 0.05 0.00 0.00 0.00 0.00 0.00 61.98 62.19 2khj s VAL 58 Cb -0.13 -3.03 0.00 0.00 0.00 0.00 0.00 36.38 33.22 2khj s VAL 58 CO 0.05 0.00 0.00 0.61 0.00 0.00 0.00 175.10 175.76 2khj n GLY 59 N 4.21 0.59 3.71 4.51 0.00 0.14 -4.96 105.19 113.39 2khj n GLY 59 Ca 0.18 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.80 2khj n GLY 59 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 2khj s ASP 60 N -2.78 6.99 0.20 1.61 1.11 -1.02 -4.60 116.67 118.19 2khj s ASP 60 Ca 0.00 1.19 -0.02 0.00 0.18 0.00 0.00 52.55 53.90 2khj s ASP 60 Cb 0.00 -2.42 -0.05 0.00 1.07 0.00 0.00 42.92 41.53 2khj s ASP 60 CO 0.00 -0.13 0.42 -1.61 1.18 0.00 0.00 175.17 175.03 2khj s GLU 61 N 0.86 3.56 0.09 8.23 2.02 -1.26 -1.45 118.70 130.75 2khj s GLU 61 Ca 0.38 -0.22 -0.01 0.00 0.02 0.00 0.00 54.97 55.13 2khj s GLU 61 Cb -0.18 -2.81 -0.04 0.00 0.10 0.00 0.00 34.13 31.21 2khj s GLU 61 CO 0.18 0.38 0.00 0.14 0.02 0.00 0.00 175.26 175.98 2khj s VAL 62 N -1.86 0.21 -0.12 2.63 -7.23 -0.26 -4.97 120.40 108.80 2khj s VAL 62 Ca 0.40 -1.86 -0.15 0.00 -1.81 0.00 0.00 61.98 58.57 2khj s VAL 62 Cb -0.11 -1.74 -0.05 0.00 0.56 0.00 0.00 36.38 35.04 2khj s VAL 62 CO 0.28 -0.78 0.35 -1.61 -0.31 0.00 0.00 175.10 173.03 2khj s GLU 63 N -3.97 4.15 0.24 4.82 2.02 -1.26 -0.91 118.70 123.79 2khj s GLU 63 Ca 0.14 0.23 0.01 0.00 0.02 0.00 0.00 54.97 55.37 2khj s GLU 63 Cb 0.08 -3.37 -0.05 0.00 0.10 0.00 0.00 34.13 30.89 2khj s GLU 63 CO -0.05 0.35 0.08 0.00 0.02 0.00 0.00 175.26 175.66 2khj s ALA 64 N 0.09 1.63 -0.18 5.21 0.00 -0.03 -3.94 121.76 124.53 2khj s ALA 64 Ca 0.20 -1.81 -0.09 0.00 0.00 0.00 0.00 51.96 50.26 2khj s ALA 64 Cb -0.14 0.97 -0.05 0.00 0.00 0.00 0.00 23.12 23.90 2khj s ALA 64 CO 0.07 -0.44 0.11 0.21 0.00 0.00 0.00 175.76 175.71 2khj s LYS 65 N -4.02 4.02 -0.50 0.00 2.20 0.60 -1.31 119.74 120.73 2khj s LYS 65 Ca 0.35 -0.25 -0.18 0.00 -0.36 0.00 0.00 55.97 55.53 2khj s LYS 65 Cb 0.07 -3.32 0.07 0.00 -1.51 0.00 0.00 37.83 33.15 2khj s LYS 65 CO 0.12 0.35 0.54 0.12 -0.36 0.00 0.00 175.35 176.12 2khj s PHE 66 N 0.19 3.13 -0.15 4.03 5.36 0.22 -1.73 117.98 129.02 2khj s PHE 66 Ca 0.07 -0.73 -0.08 0.00 -0.96 0.00 0.00 56.93 55.23 2khj s PHE 66 Cb -0.12 -3.43 -0.06 0.00 -0.34 0.00 0.00 43.02 39.07 2khj s PHE 66 CO -0.01 -0.96 -0.20 2.41 -1.46 0.00 0.00 175.22 175.01 2khj n THR 67 N 5.44 0.87 -3.81 0.12 -1.04 -0.95 0.98 114.28 115.90 2khj n THR 67 Ca -0.09 -0.19 -0.04 0.00 -2.04 0.00 0.00 64.05 61.68 2khj n THR 67 Cb 0.44 -1.72 0.00 0.00 -1.82 0.00 0.00 70.33 67.23 2khj n THR 67 CO 0.00 0.00 0.00 -0.83 -0.64 0.00 0.00 175.07 173.60 2khj s GLY 68 N -5.25 -0.03 0.01 3.41 0.00 -0.66 -4.44 107.32 100.35 2khj s GLY 68 Ca -0.21 -0.17 0.06 0.00 0.00 0.00 0.00 44.72 44.40 2khj s GLY 68 CO 0.27 0.73 -0.18 0.54 0.00 0.00 0.00 173.10 174.46 2khj s VAL 69 N -2.85 1.45 -0.17 1.40 0.11 -1.26 -0.09 120.40 118.99 2khj s VAL 69 Ca 0.16 -0.91 -0.15 0.00 -2.93 0.00 0.00 61.98 58.15 2khj s VAL 69 Cb -0.03 -1.23 -0.04 0.00 -1.53 0.00 0.00 36.38 33.55 2khj s VAL 69 CO 0.05 0.31 0.35 -1.81 -3.33 0.00 0.00 175.10 170.67 2khj s ASP 70 N -0.70 6.46 0.51 3.54 1.01 -0.14 -4.97 116.67 122.37 2khj s ASP 70 Ca 0.06 0.54 0.30 0.00 0.71 0.00 0.00 52.55 54.16 2khj s ASP 70 Cb -0.07 -2.21 1.21 0.00 1.01 0.00 0.00 42.92 42.85 2khj s ASP 70 CO 0.00 0.02 1.93 0.03 0.21 0.00 0.00 175.17 177.36 2khj h ARG 71 N 6.97 0.00 0.14 8.23 3.08 -1.98 -1.18 114.38 129.64 2khj h ARG 71 Ca -0.39 0.00 -0.29 0.00 0.07 0.00 0.00 59.98 59.37 2khj h ARG 71 Cb 1.17 0.00 0.01 0.00 0.08 0.00 0.00 29.97 31.22 2khj h ARG 71 CO 0.74 0.10 -1.34 0.87 -1.07 0.00 0.00 179.97 179.27 2khj h LYS 72 N 0.00 0.30 0.00 0.04 1.57 -1.97 -3.37 116.57 113.14 2khj h LYS 72 Ca -0.00 -0.50 0.00 0.00 -1.87 0.00 0.00 60.65 58.27 2khj h LYS 72 Cb 0.59 0.19 0.00 0.00 0.08 0.00 0.00 32.23 33.08 2khj h LYS 72 CO 0.01 1.22 -1.18 0.09 -0.57 0.00 0.00 179.45 179.02 2khj n ASN 73 N -3.53 0.98 -3.84 0.86 4.13 -1.19 -5.02 115.26 107.65 2khj n ASN 73 Ca -0.11 -0.49 -0.28 0.00 1.68 0.00 0.00 54.58 55.38 2khj n ASN 73 Cb 1.04 1.33 0.03 0.00 -1.54 0.00 0.00 39.78 40.64 2khj n ASN 73 CO 0.00 0.00 0.00 0.54 0.28 0.00 0.00 177.26 178.08 2khj n ARG 74 N -1.68 -5.71 -4.25 3.52 5.12 -0.45 -5.01 116.66 108.20 2khj n ARG 74 Ca 0.00 0.63 -0.14 0.00 -1.93 0.00 0.00 57.85 56.41 2khj n ARG 74 Cb 0.32 -5.48 -0.10 0.00 -1.16 0.00 0.00 32.46 26.04 2khj n ARG 74 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70 2khj s ALA 75 N -3.38 1.41 -0.02 7.54 0.00 -1.22 -4.26 121.76 121.83 2khj s ALA 75 Ca 0.52 -1.64 -0.14 0.00 0.00 0.00 0.00 51.96 50.70 2khj s ALA 75 Cb -0.26 0.67 -0.05 0.00 0.00 0.00 0.00 23.12 23.48 2khj s ALA 75 CO 0.81 -0.36 0.38 0.96 0.00 0.00 0.00 175.76 177.56 2khj s ILE 76 N -3.70 5.08 -0.27 0.00 -4.36 -1.26 -0.97 121.20 115.72 2khj s ILE 76 Ca 0.27 0.78 -0.05 0.00 -0.26 0.00 0.00 60.65 61.39 2khj s ILE 76 Cb 0.06 -3.69 0.01 0.00 1.25 0.00 0.00 42.46 40.10 2khj s ILE 76 CO 0.06 0.57 0.02 -0.44 0.24 0.00 0.00 174.94 175.39 2khj s SER 77 N -0.97 4.76 0.00 4.36 0.01 0.87 -4.32 113.70 118.41 2khj s SER 77 Ca 0.23 -0.70 0.01 0.00 1.31 0.00 0.00 55.95 56.80 2khj s SER 77 Cb -0.16 -1.79 -0.00 0.00 0.21 0.00 0.00 66.02 64.27 2khj s SER 77 CO 0.12 -0.14 -0.02 -1.48 0.41 0.00 0.00 173.24 172.13 2khj s LEU 78 N 1.45 2.02 -0.01 2.44 0.05 -1.26 -1.65 118.68 121.71 2khj s LEU 78 Ca 0.02 -0.08 0.00 0.00 0.05 0.00 0.00 54.13 54.13 2khj s LEU 78 Cb -0.17 -0.10 -0.04 0.00 -2.05 0.00 0.00 46.19 43.84 2khj s LEU 78 CO -0.00 0.00 0.03 -0.44 -0.55 0.00 0.00 176.35 175.39 2khj s SER 79 N -0.16 5.36 0.36 1.48 0.01 -0.71 -4.16 113.70 115.88 2khj s SER 79 Ca -0.00 0.07 0.14 0.00 1.31 0.00 0.00 55.95 57.46 2khj s SER 79 Cb -0.02 -1.47 0.74 0.00 0.21 0.00 0.00 66.02 65.48 2khj s SER 79 CO -0.00 0.29 1.31 0.58 0.41 0.00 0.00 173.24 175.83 2khj h VAL 80 N 3.46 0.00 0.19 3.43 2.07 -1.86 0.17 116.25 123.71 2khj h VAL 80 Ca -0.49 0.00 -0.27 0.00 0.82 0.00 0.00 66.70 66.76 2khj h VAL 80 Cb 1.18 0.30 0.02 0.00 -1.52 0.00 0.00 31.29 31.28 2khj h VAL 80 CO 0.59 0.00 -1.21 0.03 0.02 0.00 0.00 177.57 177.00 2khj h ARG 81 N 0.00 0.40 0.00 1.57 2.47 -1.89 -3.39 114.38 113.53 2khj h ARG 81 Ca 0.00 -0.68 0.00 0.00 -1.26 0.00 0.00 59.98 58.04 2khj h ARG 81 Cb 0.68 0.25 0.00 0.00 -1.65 0.00 0.00 29.97 29.25 2khj h ARG 81 CO 0.00 1.32 0.00 0.00 0.56 0.00 0.00 179.97 181.85 2khj n ALA 82 N -2.74 0.00 -3.00 0.04 0.00 -1.26 -4.67 120.51 108.89 2khj n ALA 82 Ca -0.17 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.27 2khj n ALA 82 Cb 0.96 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.41 2khj n ALA 82 CO 0.00 0.00 0.00 0.36 0.00 0.00 0.00 177.50 177.86 2khj n LYS 83 N 0.00 1.83 0.00 0.00 2.85 -1.26 -4.76 118.16 116.82 2khj n LYS 83 Ca 0.00 0.00 0.00 0.00 -1.05 0.00 0.00 58.31 57.26 2khj n LYS 83 Cb 0.00 0.00 0.00 0.00 -0.65 0.00 0.00 35.03 34.38 2khj n LYS 83 CO 0.00 0.00 0.00 -0.40 -0.05 0.00 0.00 177.40 176.95 2khj n ASP 84 N 0.00 0.07 -2.28 -5.58 5.68 -1.26 -5.07 116.55 108.11 2khj n ASP 84 Ca 0.00 0.00 -0.08 0.00 -0.50 0.00 0.00 54.79 54.21 2khj n ASP 84 Cb 0.00 0.00 0.00 0.00 -1.14 0.00 0.00 41.12 39.98 2khj n ASP 84 CO 0.00 0.00 0.00 -1.84 -1.33 0.00 0.00 177.20 174.03 2khj n GLU 85 N 0.00 0.66 -5.11 0.11 0.28 -1.26 -5.17 120.64 110.15 2khj n GLU 85 Ca 0.00 -1.69 -0.30 0.00 -0.16 0.00 0.00 57.16 55.01 2khj n GLU 85 Cb 0.00 1.88 -0.17 0.00 1.43 0.00 0.00 31.44 34.59 2khj n GLU 85 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 177.13 176.97 2khj s ALA 86 N -2.01 1.99 0.00 -1.84 0.00 -1.26 -4.81 121.76 113.84 2khj s ALA 86 Ca 0.15 -0.88 0.00 0.00 0.00 0.00 0.00 51.96 51.23 2khj s ALA 86 Cb -0.02 -0.73 0.00 0.00 0.00 0.00 0.00 23.12 22.37 2khj s ALA 86 CO 0.11 0.28 0.00 -3.47 0.00 0.00 0.00 175.76 172.68 2khj n ASP 87 N 3.45 0.00 -3.36 0.00 2.03 -1.26 -5.00 116.55 112.41 2khj n ASP 87 Ca -0.19 0.00 -0.26 0.00 0.52 0.00 0.00 54.79 54.86 2khj n ASP 87 Cb 0.53 0.09 -0.09 0.00 -0.72 0.00 0.00 41.12 40.93 2khj n ASP 87 CO 0.00 0.00 0.00 -0.62 -1.92 0.00 0.00 177.20 174.66 2khj n GLU 88 N -1.67 0.85 0.00 -0.67 1.02 -1.26 -5.38 120.64 113.53 2khj n GLU 88 Ca 0.00 -3.51 0.00 0.00 -0.02 0.00 0.00 57.16 53.63 2khj n GLU 88 Cb 0.00 -1.62 0.00 0.00 -0.02 0.00 0.00 31.44 29.80 2khj n GLU 88 CO 0.00 0.00 0.00 1.63 1.18 0.00 0.00 177.13 179.94