#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 0.49 -0.46 3.17 3.57 -1.86 -0.79 116.94 121.06 2khj h PHE 2 Ca 0.00 0.02 0.09 0.00 3.53 0.00 0.00 57.97 61.61 2khj h PHE 2 Cb 0.00 -0.14 -0.09 0.00 2.79 0.00 0.00 35.95 38.51 2khj h PHE 2 CO 0.00 0.07 -0.11 -2.95 -2.23 0.00 0.00 178.31 173.09 2khj h ASN 3 N 0.31 -0.42 0.00 0.41 -1.07 -1.84 -1.38 115.58 111.60 2khj h ASN 3 Ca 0.55 0.14 -0.00 0.00 0.07 0.00 0.00 56.30 57.05 2khj h ASN 3 Cb 1.54 0.28 -0.00 0.00 -2.07 0.00 0.00 38.32 38.07 2khj h ASN 3 CO -0.21 -0.15 -0.00 -1.13 0.07 0.00 0.00 177.43 176.01 2khj h ASN 4 N 0.01 0.00 -0.79 6.14 -1.24 -1.87 -3.43 115.58 114.40 2khj h ASN 4 Ca 0.22 -0.73 0.20 0.00 0.71 0.00 0.00 56.30 56.71 2khj h ASN 4 Cb 0.34 0.00 -0.04 0.00 0.73 0.00 0.00 38.32 39.34 2khj h ASN 4 CO -0.47 0.86 0.55 -0.25 -1.29 0.00 0.00 177.43 176.83 2khj h TRP 5 N -1.00 0.23 -1.01 0.67 7.01 -1.08 -3.15 115.95 117.62 2khj h TRP 5 Ca -0.00 0.01 0.28 0.00 2.11 0.00 0.00 58.89 61.29 2khj h TRP 5 Cb 0.73 -0.07 -0.05 0.00 -2.10 0.00 0.00 29.16 27.67 2khj h TRP 5 CO 0.20 0.07 0.71 -0.24 -2.79 0.00 0.00 178.44 176.39 2khj h VAL 6 N 0.18 0.51 -0.01 2.65 3.04 -1.50 0.21 116.25 121.32 2khj h VAL 6 Ca 0.39 -0.03 -0.13 0.00 -1.01 0.00 0.00 66.70 65.92 2khj h VAL 6 Cb 1.27 0.43 -0.02 0.00 -2.01 0.00 0.00 31.29 30.96 2khj h VAL 6 CO -0.07 0.01 -0.62 0.00 -1.01 0.00 0.00 177.57 175.88 2khj h ALA 7 N 1.52 0.95 0.05 3.17 0.00 -1.83 -3.36 119.26 119.74 2khj h ALA 7 Ca 0.50 -0.56 -0.38 0.00 0.00 0.00 0.00 54.91 54.46 2khj h ALA 7 Cb 1.83 -0.10 -0.05 0.00 0.00 0.00 0.00 17.79 19.48 2khj h ALA 7 CO -0.05 0.76 -2.30 -0.11 0.00 0.00 0.00 179.25 177.55 2khj n LEU 8 N -3.82 2.80 -4.84 0.00 7.94 0.10 -5.05 117.00 114.14 2khj n LEU 8 Ca -0.01 -0.01 -0.33 0.00 -1.11 0.00 0.00 56.01 54.54 2khj n LEU 8 Cb 0.62 -0.96 -0.06 0.00 0.53 0.00 0.00 43.42 43.55 2khj n LEU 8 CO 0.43 0.90 -0.21 0.21 -1.11 0.00 0.00 177.39 177.61 2khj s ASN 9 N -6.69 5.99 0.16 1.96 3.84 0.50 -5.12 114.94 115.58 2khj s ASN 9 Ca -0.30 0.25 0.05 0.00 0.21 0.00 0.00 52.86 53.07 2khj s ASN 9 Cb 0.08 -1.80 -0.04 0.00 -0.55 0.00 0.00 41.25 38.94 2khj s ASN 9 CO 0.67 0.28 0.10 -0.54 -2.79 0.00 0.00 177.10 174.82 2khj s LYS 10 N -1.77 2.78 -0.03 0.43 -0.14 -1.26 -4.65 119.74 115.11 2khj s LYS 10 Ca 0.24 -0.92 -0.30 0.00 -1.36 0.00 0.00 55.97 53.63 2khj s LYS 10 Cb -0.12 -2.58 -0.04 0.00 -1.68 0.00 0.00 37.83 33.40 2khj s LYS 10 CO 0.15 0.48 1.27 0.15 -0.76 0.00 0.00 175.35 176.64 2khj s LYS 11 N -3.03 4.33 0.00 1.68 1.02 -1.26 -2.29 119.74 120.19 2khj s LYS 11 Ca 0.30 1.78 0.00 0.00 0.02 0.00 0.00 55.97 58.07 2khj s LYS 11 Cb -0.10 -3.55 0.00 0.00 -0.52 0.00 0.00 37.83 33.66 2khj s LYS 11 CO 0.22 -0.48 0.00 0.41 -0.92 0.00 0.00 175.35 174.58 2khj n GLY 12 N 3.45 0.54 3.92 -3.33 0.00 0.20 -4.97 105.19 105.00 2khj n GLY 12 Ca 0.12 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.88 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 3.50 -0.07 4.61 0.00 -0.97 -4.83 121.76 122.00 2khj s ALA 13 Ca 0.00 -0.70 0.04 0.00 0.00 0.00 0.00 51.96 51.30 2khj s ALA 13 Cb 0.00 -2.42 -0.02 0.00 0.00 0.00 0.00 23.12 20.68 2khj s ALA 13 CO 0.00 -0.35 -0.19 0.96 0.00 0.00 0.00 175.76 176.18 2khj s ILE 14 N -2.66 2.62 0.02 0.00 -4.36 -1.26 0.47 121.20 116.03 2khj s ILE 14 Ca 0.47 -0.86 -0.04 0.00 -0.26 0.00 0.00 60.65 59.97 2khj s ILE 14 Cb -0.10 -2.02 -0.01 0.00 1.25 0.00 0.00 42.46 41.58 2khj s ILE 14 CO 0.42 0.57 0.05 0.68 0.24 0.00 0.00 174.94 176.90 2khj s VAL 15 N -0.21 0.11 -0.19 8.37 -7.23 -0.00 -4.92 120.40 116.34 2khj s VAL 15 Ca -0.01 -0.93 -0.15 0.00 -1.81 0.00 0.00 61.98 59.09 2khj s VAL 15 Cb -0.13 -0.53 -0.04 0.00 0.56 0.00 0.00 36.38 36.23 2khj s VAL 15 CO 0.03 -0.51 0.34 0.42 -0.31 0.00 0.00 175.10 175.07 2khj s THR 16 N -1.83 5.26 0.14 5.32 -4.23 -1.26 -0.90 115.64 118.14 2khj s THR 16 Ca -0.12 0.60 0.11 0.00 -1.18 0.00 0.00 61.69 61.10 2khj s THR 16 Cb -0.06 -3.67 -0.04 0.00 1.34 0.00 0.00 72.50 70.07 2khj s THR 16 CO -0.01 0.32 -0.25 -0.83 -0.54 0.00 0.00 174.62 173.30 2khj s GLY 17 N 0.81 1.54 -0.14 3.99 0.00 -0.15 -4.86 107.32 108.52 2khj s GLY 17 Ca 0.17 -1.47 -0.02 0.00 0.00 0.00 0.00 44.72 43.40 2khj s GLY 17 CO 0.06 -1.47 -0.07 -1.59 0.00 0.00 0.00 173.10 170.03 2khj s LYS 18 N -2.21 3.56 0.14 2.90 -2.85 -0.81 -1.34 119.74 119.13 2khj s LYS 18 Ca 0.14 -0.58 -0.31 0.00 -1.00 0.00 0.00 55.97 54.22 2khj s LYS 18 Cb -0.09 -2.81 -0.10 0.00 -2.06 0.00 0.00 37.83 32.78 2khj s LYS 18 CO 0.07 0.24 1.60 0.08 0.10 0.00 0.00 175.35 177.43 2khj s VAL 19 N 0.34 2.74 0.08 1.79 1.01 -0.54 0.62 120.40 126.44 2khj s VAL 19 Ca -0.07 0.45 0.00 0.00 0.00 0.00 0.00 61.98 62.36 2khj s VAL 19 Cb -0.15 -3.29 0.00 0.00 0.00 0.00 0.00 36.38 32.95 2khj s VAL 19 CO 0.04 0.02 0.00 0.35 0.00 0.00 0.00 175.10 175.51 2khj n THR 20 N 4.21 0.26 -4.05 3.92 -2.24 -0.95 0.75 114.28 116.18 2khj n THR 20 Ca 0.15 0.09 -0.17 0.00 -2.27 0.00 0.00 64.05 61.84 2khj n THR 20 Cb 0.39 -1.03 -0.15 0.00 -2.10 0.00 0.00 70.33 67.44 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 -2.00 0.39 -0.01 6.98 0.00 -1.19 -4.97 121.76 120.96 2khj s ALA 21 Ca 0.00 -0.01 0.07 0.00 0.00 0.00 0.00 51.96 52.02 2khj s ALA 21 Cb 0.00 -0.24 -0.02 0.00 0.00 0.00 0.00 23.12 22.86 2khj s ALA 21 CO 0.00 0.01 -0.22 0.54 0.00 0.00 0.00 175.76 176.08 2khj s VAL 22 N 0.53 2.37 0.41 0.00 0.11 -1.26 -0.77 120.40 121.79 2khj s VAL 22 Ca -0.06 -1.06 0.08 0.00 -2.93 0.00 0.00 61.98 58.01 2khj s VAL 22 Cb -0.09 -1.88 -0.02 0.00 -1.53 0.00 0.00 36.38 32.86 2khj s VAL 22 CO -0.01 0.53 0.39 -1.81 -3.33 0.00 0.00 175.10 170.88 2khj s ASP 23 N -0.80 5.16 0.23 3.54 1.11 0.29 -4.96 116.67 121.25 2khj s ASP 23 Ca 0.11 -0.67 -0.06 0.00 0.18 0.00 0.00 52.55 52.11 2khj s ASP 23 Cb -0.10 -0.64 0.36 0.00 1.07 0.00 0.00 42.92 43.61 2khj s ASP 23 CO 0.00 -0.63 1.77 0.00 1.18 0.00 0.00 175.17 177.50 2khj h ALA 24 N 1.01 0.99 -0.02 5.23 0.00 -2.04 -2.22 119.26 122.22 2khj h ALA 24 Ca -0.42 0.07 0.00 0.00 0.00 0.00 0.00 54.91 54.56 2khj h ALA 24 Cb 1.27 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 19.04 2khj h ALA 24 CO 0.56 -0.08 -0.01 0.36 0.00 0.00 0.00 179.25 180.08 2khj n LYS 25 N -4.89 1.11 -4.47 0.00 2.85 -1.26 -4.98 118.16 106.52 2khj n LYS 25 Ca 0.12 -1.38 -0.32 0.00 -1.05 0.00 0.00 58.31 55.68 2khj n LYS 25 Cb 0.30 -1.29 -0.11 0.00 -0.65 0.00 0.00 35.03 33.29 2khj n LYS 25 CO 0.00 0.00 0.00 0.20 -0.05 0.00 0.00 177.40 177.55 2khj s GLY 26 N -1.27 1.73 -0.04 2.58 0.00 -0.83 -2.24 107.32 107.24 2khj s GLY 26 Ca 0.17 -1.07 -0.03 0.00 0.00 0.00 0.00 44.72 43.79 2khj s GLY 26 CO 0.19 -0.95 0.11 0.00 0.00 0.00 0.00 173.10 172.45 2khj s ALA 27 N -1.01 -0.23 -0.28 3.20 0.00 -0.64 -0.54 121.76 122.25 2khj s ALA 27 Ca 0.17 0.39 -0.10 0.00 0.00 0.00 0.00 51.96 52.42 2khj s ALA 27 Cb -0.11 -0.24 -0.03 0.00 0.00 0.00 0.00 23.12 22.73 2khj s ALA 27 CO 0.08 -0.08 0.16 0.99 0.00 0.00 0.00 175.76 176.91 2khj s THR 28 N 0.42 4.90 -0.03 0.00 2.01 0.05 -1.52 115.64 121.46 2khj s THR 28 Ca -0.03 -0.08 -0.03 0.00 0.31 0.00 0.00 61.69 61.86 2khj s THR 28 Cb -0.04 -3.38 -0.04 0.00 0.01 0.00 0.00 72.50 69.05 2khj s THR 28 CO -0.02 0.21 0.13 0.68 -0.69 0.00 0.00 174.62 174.93 2khj s VAL 29 N 1.69 5.16 -0.14 3.82 -7.23 -0.67 -2.23 120.40 120.79 2khj s VAL 29 Ca 0.06 -0.18 -0.23 0.00 -1.81 0.00 0.00 61.98 59.82 2khj s VAL 29 Cb -0.16 -3.36 -0.03 0.00 0.56 0.00 0.00 36.38 33.40 2khj s VAL 29 CO 0.08 0.40 0.70 -0.70 -0.31 0.00 0.00 175.10 175.26 2khj s GLU 30 N -1.67 4.32 -0.09 4.82 2.56 0.20 -0.93 118.70 127.91 2khj s GLU 30 Ca 0.23 0.80 0.07 0.00 0.00 0.00 0.00 54.97 56.07 2khj s GLU 30 Cb -0.12 -3.52 -0.11 0.00 2.00 0.00 0.00 34.13 32.38 2khj s GLU 30 CO 0.14 -0.13 0.01 1.28 -0.56 0.00 0.00 175.26 176.00 2khj n LEU 31 N 4.57 0.38 0.00 2.70 7.99 -1.25 -1.92 117.00 129.47 2khj n LEU 31 Ca -0.00 -0.01 0.00 0.00 -0.01 0.00 0.00 56.01 55.99 2khj n LEU 31 Cb 0.50 0.14 0.00 0.00 -0.11 0.00 0.00 43.42 43.96 2khj n LEU 31 CO 0.46 0.29 0.00 0.00 -1.51 0.00 0.00 177.39 176.63 2khj n ALA 32 N -2.40 0.00 -0.78 -1.18 0.00 -1.20 -4.81 120.51 110.13 2khj n ALA 32 Ca -0.16 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.28 2khj n ALA 32 Cb 0.79 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.24 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 -0.36 -2.33 0.00 0.00 2.03 -1.26 0.88 116.55 115.50 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 0.00 -0.39 0.00 0.00 -0.72 0.00 0.00 41.12 40.01 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 -2.78 1.74 3.85 0.27 0.00 -1.26 -4.62 105.19 102.39 2khj n GLY 34 Ca 0.00 -0.08 -0.36 0.00 0.00 0.00 0.00 46.02 45.57 2khj n GLY 34 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 2khj s VAL 35 N -1.81 5.00 0.20 1.61 -7.23 -1.26 -5.05 120.40 111.86 2khj s VAL 35 Ca 0.00 0.71 0.10 0.00 -1.81 0.00 0.00 61.98 60.98 2khj s VAL 35 Cb 0.00 -3.70 -0.04 0.00 0.56 0.00 0.00 36.38 33.19 2khj s VAL 35 CO 0.00 0.39 -0.15 -1.61 -0.31 0.00 0.00 175.10 173.43 2khj s GLU 36 N -1.59 1.86 0.00 4.82 2.02 -1.26 -3.26 118.70 121.29 2khj s GLU 36 Ca 0.31 -1.41 0.00 0.00 0.02 0.00 0.00 54.97 53.89 2khj s GLU 36 Cb -0.15 -2.02 0.00 0.00 0.10 0.00 0.00 34.13 32.06 2khj s GLU 36 CO 0.17 0.41 0.00 0.41 0.02 0.00 0.00 175.26 176.27 2khj n GLY 37 N 0.00 6.47 3.52 -1.39 0.00 -0.11 -4.48 105.19 109.21 2khj n GLY 37 Ca -0.11 -2.06 -0.33 0.00 0.00 0.00 0.00 46.02 43.52 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 0.84 2.83 -0.17 1.61 1.51 -1.25 -1.67 117.35 121.05 2khj s TYR 38 Ca 0.00 -0.10 -0.01 0.00 -1.01 0.00 0.00 57.07 55.96 2khj s TYR 38 Cb 0.00 -1.69 0.04 0.00 -0.11 0.00 0.00 41.96 40.20 2khj s TYR 38 CO 0.00 0.23 -0.04 -1.17 -1.11 0.00 0.00 175.55 173.46 2khj s LEU 39 N -0.68 1.54 0.11 -1.29 0.20 -0.58 -3.74 118.68 114.24 2khj s LEU 39 Ca 0.10 -0.67 -0.28 0.00 0.69 0.00 0.00 54.13 53.97 2khj s LEU 39 Cb -0.11 -0.85 -0.06 0.00 -0.43 0.00 0.00 46.19 44.73 2khj s LEU 39 CO 0.01 -0.20 0.90 -0.13 -0.29 0.00 0.00 176.35 176.64 2khj s ARG 40 N 1.67 4.66 0.41 1.98 3.00 -1.26 -1.62 118.95 127.79 2khj s ARG 40 Ca 0.00 1.34 0.21 0.00 0.00 0.00 0.00 55.73 57.28 2khj s ARG 40 Cb -0.15 -3.36 0.87 0.00 0.00 0.00 0.00 34.95 32.31 2khj s ARG 40 CO -0.07 0.29 1.82 0.00 0.00 0.00 0.00 175.30 177.34 2khj h ALA 41 N 5.36 1.10 0.00 2.13 0.00 -1.78 -2.11 119.26 123.96 2khj h ALA 41 Ca -0.44 -0.27 0.00 0.00 0.00 0.00 0.00 54.91 54.20 2khj h ALA 41 Cb 1.21 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.95 2khj h ALA 41 CO 0.71 0.37 0.00 0.77 0.00 0.00 0.00 179.25 181.10 2khj h SER 42 N 0.00 0.00 0.00 0.00 0.02 -1.95 -3.31 113.55 108.31 2khj h SER 42 Ca -0.00 0.00 -0.18 0.00 -0.84 0.00 0.00 61.79 60.77 2khj h SER 42 Cb 0.74 0.00 -0.03 0.00 0.14 0.00 0.00 62.40 63.24 2khj h SER 42 CO 0.04 0.00 -1.68 -0.62 -1.14 0.00 0.00 176.83 173.42 2khj n GLU 43 N -2.89 0.70 -2.39 3.45 1.02 -1.12 -4.95 120.64 114.44 2khj n GLU 43 Ca 0.01 0.06 -0.39 0.00 -0.02 0.00 0.00 57.16 56.81 2khj n GLU 43 Cb 0.26 -1.24 -0.03 0.00 -0.02 0.00 0.00 31.44 30.41 2khj n GLU 43 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 2khj s ALA 44 N -2.24 2.50 0.00 0.62 0.00 -0.81 -4.67 121.76 117.17 2khj s ALA 44 Ca -0.14 -1.46 0.00 0.00 0.00 0.00 0.00 51.96 50.36 2khj s ALA 44 Cb 0.04 -4.37 0.00 0.00 0.00 0.00 0.00 23.12 18.79 2khj s ALA 44 CO 0.30 -3.66 0.00 0.43 0.00 0.00 0.00 175.76 172.83 2khj n SER 45 N 10.44 0.00 -2.78 0.00 7.64 -1.26 -2.19 113.62 125.47 2khj n SER 45 Ca 0.18 0.00 -0.10 0.00 1.01 0.00 0.00 58.87 59.96 2khj n SER 45 Cb 0.50 0.00 0.07 0.00 -1.01 0.00 0.00 64.21 63.77 2khj n SER 45 CO 0.00 0.00 0.00 -1.14 -3.01 0.00 0.00 175.04 170.89 2khj n ARG 46 N 0.00 1.08 0.00 1.43 3.00 -1.26 -4.65 116.66 116.26 2khj n ARG 46 Ca 0.00 -2.26 0.00 0.00 -0.00 0.00 0.00 57.85 55.59 2khj n ARG 46 Cb 0.00 -0.85 0.00 0.00 0.00 0.00 0.00 32.46 31.61 2khj n ARG 46 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.63 177.38 2khj n ASP 47 N 0.00 0.00 0.00 6.15 8.00 -1.26 -5.03 116.55 124.41 2khj n ASP 47 Ca 0.06 0.00 0.00 0.00 0.71 0.00 0.00 54.79 55.56 2khj n ASP 47 Cb 0.75 0.00 0.00 0.00 -0.02 0.00 0.00 41.12 41.85 2khj n ASP 47 CO 0.00 0.00 0.00 0.54 -0.39 0.00 0.00 177.20 177.35 2khj n ARG 48 N -0.39 0.00 0.00 -1.24 5.12 -1.26 -4.64 116.66 114.25 2khj n ARG 48 Ca 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 57.85 55.92 2khj n ARG 48 Cb 0.00 0.00 0.00 0.00 -1.16 0.00 0.00 32.46 31.30 2khj n ARG 48 CO 0.00 0.00 0.00 0.28 -1.93 0.00 0.00 177.63 175.98 2khj n VAL 49 N 0.00 0.00 -4.61 1.55 0.31 -1.26 -5.07 118.33 109.24 2khj n VAL 49 Ca 0.00 0.00 -0.33 0.00 -0.01 0.00 0.00 64.34 64.00 2khj n VAL 49 Cb 0.00 -0.07 -0.14 0.00 -0.91 0.00 0.00 33.84 32.72 2khj n VAL 49 CO 0.00 0.00 0.00 -1.83 -1.32 0.00 0.00 176.83 173.68 2khj s GLU 50 N 0.45 3.44 0.00 5.55 -1.05 -1.26 -4.92 118.70 120.91 2khj s GLU 50 Ca 0.00 -0.65 0.00 0.00 -0.15 0.00 0.00 54.97 54.17 2khj s GLU 50 Cb 0.00 -2.72 0.00 0.00 -0.44 0.00 0.00 34.13 30.97 2khj s GLU 50 CO 0.00 0.18 0.00 -0.25 0.95 0.00 0.00 175.26 176.14 2khj n ASP 51 N 3.65 0.00 0.12 0.83 9.92 -1.26 -4.72 116.55 125.08 2khj n ASP 51 Ca -0.18 0.00 0.03 0.00 -0.53 0.00 0.00 54.79 54.11 2khj n ASP 51 Cb 0.52 0.00 0.15 0.00 -0.64 0.00 0.00 41.12 41.16 2khj n ASP 51 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 2khj n ALA 52 N -3.00 0.36 0.10 2.24 0.00 -1.26 -0.21 120.51 118.74 2khj n ALA 52 Ca 0.00 0.05 -0.22 0.00 0.00 0.00 0.00 53.44 53.27 2khj n ALA 52 Cb 0.00 -0.43 -0.13 0.00 0.00 0.00 0.00 19.45 18.89 2khj n ALA 52 CO 0.00 0.00 0.00 1.15 0.00 0.00 0.00 177.50 178.65 2khj h THR 53 N 0.00 1.30 0.19 0.00 2.02 -1.73 -2.15 112.91 112.54 2khj h THR 53 Ca 0.00 -2.54 -0.28 0.00 0.77 0.00 0.00 66.41 64.35 2khj h THR 53 Cb 0.88 2.77 0.02 0.00 -1.74 0.00 0.00 68.15 70.09 2khj h THR 53 CO 0.00 0.77 -1.29 0.25 0.37 0.00 0.00 175.52 175.62 2khj h LEU 54 N 0.24 0.63 -3.13 2.58 5.85 -1.39 -3.40 115.31 116.68 2khj h LEU 54 Ca -0.20 -0.92 0.00 0.00 0.84 0.00 0.00 57.88 57.60 2khj h LEU 54 Cb 1.96 -0.20 0.00 0.00 0.37 0.00 0.00 40.66 42.79 2khj h LEU 54 CO 0.24 1.61 0.00 0.55 -0.34 0.00 0.00 178.44 180.50 2khj n VAL 55 N -3.87 1.92 -4.41 1.05 3.14 0.70 -4.89 118.33 111.98 2khj n VAL 55 Ca -0.18 -1.74 -0.21 0.00 -2.96 0.00 0.00 64.34 59.25 2khj n VAL 55 Cb 0.98 -0.07 -0.16 0.00 -1.06 0.00 0.00 33.84 33.53 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 -2.40 1.69 0.39 6.55 1.02 -0.81 -4.76 118.68 120.36 2khj s LEU 56 Ca 0.35 -0.20 0.00 0.00 0.02 0.00 0.00 54.13 54.29 2khj s LEU 56 Cb 0.27 -0.60 -0.02 0.00 0.02 0.00 0.00 46.19 45.86 2khj s LEU 56 CO 0.09 0.04 0.61 -0.94 0.02 0.00 0.00 176.35 176.16 2khj s SER 57 N 0.40 6.13 0.16 2.29 1.04 -1.26 -4.73 113.70 117.73 2khj s SER 57 Ca -0.07 0.42 -0.32 0.00 0.48 0.00 0.00 55.95 56.45 2khj s SER 57 Cb -0.11 -1.86 -0.12 0.00 0.10 0.00 0.00 66.02 64.02 2khj s SER 57 CO 0.01 -0.45 1.72 0.52 0.98 0.00 0.00 173.24 176.02 2khj n VAL 58 N -1.92 0.12 -0.28 5.02 0.31 -1.26 -2.83 118.33 117.49 2khj n VAL 58 Ca -0.02 -0.02 0.00 0.00 -0.01 0.00 0.00 64.34 64.29 2khj n VAL 58 Cb 0.57 -1.89 0.00 0.00 -0.91 0.00 0.00 33.84 31.60 2khj n VAL 58 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 2khj n GLY 59 N 3.91 1.13 3.86 2.92 0.00 0.23 -4.92 105.19 112.32 2khj n GLY 59 Ca 0.17 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.82 2khj n GLY 59 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 2khj s ASP 60 N -3.02 6.57 0.09 1.61 2.15 -1.13 -4.67 116.67 118.27 2khj s ASP 60 Ca 0.00 0.68 0.05 0.00 0.43 0.00 0.00 52.55 53.71 2khj s ASP 60 Cb 0.00 -2.15 -0.04 0.00 -0.30 0.00 0.00 42.92 40.43 2khj s ASP 60 CO 0.00 0.37 -0.00 -1.83 -0.17 0.00 0.00 175.17 173.54 2khj s GLU 61 N -1.08 2.53 0.04 4.34 -1.05 -1.26 -1.46 118.70 120.76 2khj s GLU 61 Ca 0.19 -0.85 -0.00 0.00 -0.15 0.00 0.00 54.97 54.16 2khj s GLU 61 Cb -0.14 -2.53 -0.03 0.00 -0.44 0.00 0.00 34.13 30.99 2khj s GLU 61 CO 0.08 0.54 -0.03 0.14 0.95 0.00 0.00 175.26 176.94 2khj s VAL 62 N -1.31 0.23 -0.20 1.83 -7.23 -0.45 -4.93 120.40 108.33 2khj s VAL 62 Ca 0.26 -1.48 -0.15 0.00 -1.81 0.00 0.00 61.98 58.80 2khj s VAL 62 Cb -0.12 -1.06 -0.04 0.00 0.56 0.00 0.00 36.38 35.73 2khj s VAL 62 CO 0.18 -0.79 0.37 -1.83 -0.31 0.00 0.00 175.10 172.72 2khj s GLU 63 N -2.97 4.18 0.30 4.82 -1.05 -1.26 -0.98 118.70 121.74 2khj s GLU 63 Ca -0.01 0.17 0.03 0.00 -0.15 0.00 0.00 54.97 55.00 2khj s GLU 63 Cb 0.01 -3.52 -0.05 0.00 -0.44 0.00 0.00 34.13 30.12 2khj s GLU 63 CO -0.06 -0.00 0.09 0.00 0.95 0.00 0.00 175.26 176.24 2khj s ALA 64 N 1.19 2.07 -0.14 -0.84 0.00 -0.07 -3.59 121.76 120.38 2khj s ALA 64 Ca 0.18 -1.88 -0.09 0.00 0.00 0.00 0.00 51.96 50.17 2khj s ALA 64 Cb -0.14 0.89 -0.05 0.00 0.00 0.00 0.00 23.12 23.82 2khj s ALA 64 CO 0.07 -0.40 0.17 0.21 0.00 0.00 0.00 175.76 175.82 2khj s LYS 65 N -3.94 3.80 -0.50 0.00 2.20 0.46 -0.82 119.74 120.94 2khj s LYS 65 Ca 0.36 -0.09 -0.18 0.00 -0.36 0.00 0.00 55.97 55.70 2khj s LYS 65 Cb 0.07 -3.29 0.06 0.00 -1.51 0.00 0.00 37.83 33.17 2khj s LYS 65 CO 0.15 0.56 0.57 0.12 -0.36 0.00 0.00 175.35 176.39 2khj s PHE 66 N -0.43 3.10 0.00 4.03 2.19 0.18 -2.15 117.98 124.90 2khj s PHE 66 Ca 0.14 -0.64 0.00 0.00 0.33 0.00 0.00 56.93 56.75 2khj s PHE 66 Cb -0.12 -3.45 0.00 0.00 -1.31 0.00 0.00 43.02 38.14 2khj s PHE 66 CO 0.03 -0.98 0.55 -2.37 1.83 0.00 0.00 175.22 174.28 2khj n THR 67 N 5.51 0.00 -3.64 0.12 5.66 -1.07 0.62 114.28 121.48 2khj n THR 67 Ca -0.08 0.00 -0.08 0.00 -3.05 0.00 0.00 64.05 60.84 2khj n THR 67 Cb 0.45 0.35 -0.07 0.00 -1.55 0.00 0.00 70.33 69.51 2khj n THR 67 CO 0.00 0.00 0.00 -0.83 -3.05 0.00 0.00 175.07 171.19 2khj s GLY 68 N -0.30 -0.23 0.02 1.09 0.00 -1.14 -4.95 107.32 101.82 2khj s GLY 68 Ca 0.00 2.67 0.05 0.00 0.00 0.00 0.00 44.72 47.45 2khj s GLY 68 CO 0.00 2.08 -0.16 0.54 0.00 0.00 0.00 173.10 175.56 2khj s VAL 69 N 0.70 1.25 -0.19 1.40 0.11 -1.26 0.65 120.40 123.06 2khj s VAL 69 Ca -0.02 -0.91 -0.15 0.00 -2.93 0.00 0.00 61.98 57.97 2khj s VAL 69 Cb -0.05 -1.09 -0.04 0.00 -1.53 0.00 0.00 36.38 33.67 2khj s VAL 69 CO -0.09 0.16 0.36 -1.81 -3.33 0.00 0.00 175.10 170.39 2khj s ASP 70 N -0.87 6.42 0.41 3.54 1.01 -0.16 -4.98 116.67 122.04 2khj s ASP 70 Ca 0.04 0.50 0.20 0.00 0.71 0.00 0.00 52.55 54.00 2khj s ASP 70 Cb -0.07 -2.21 0.83 0.00 1.01 0.00 0.00 42.92 42.48 2khj s ASP 70 CO 0.01 -0.02 1.81 0.08 0.21 0.00 0.00 175.17 177.25 2khj h ARG 71 N 7.18 0.00 0.04 8.23 0.11 -1.99 -2.57 114.38 125.39 2khj h ARG 71 Ca -0.38 0.00 -0.24 0.00 0.10 0.00 0.00 59.98 59.46 2khj h ARG 71 Cb 1.16 0.00 -0.02 0.00 1.11 0.00 0.00 29.97 32.22 2khj h ARG 71 CO 0.72 0.31 -1.17 -0.22 0.10 0.00 0.00 179.97 179.71 2khj h LYS 72 N 0.00 0.09 0.00 0.08 1.63 -1.96 -3.36 116.57 113.05 2khj h LYS 72 Ca -0.00 -0.15 0.00 0.00 -0.85 0.00 0.00 60.65 59.65 2khj h LYS 72 Cb 0.77 0.05 0.00 0.00 -0.60 0.00 0.00 32.23 32.45 2khj h LYS 72 CO 0.04 1.01 -1.43 0.09 -3.45 0.00 0.00 179.45 175.72 2khj n ASN 73 N -3.37 0.55 -3.60 4.20 3.02 -1.21 -5.00 115.26 109.85 2khj n ASN 73 Ca -0.05 -0.51 -0.24 0.00 -0.03 0.00 0.00 54.58 53.75 2khj n ASN 73 Cb 0.98 1.41 0.08 0.00 -0.61 0.00 0.00 39.78 41.64 2khj n ASN 73 CO 0.00 0.00 0.00 0.54 -2.62 0.00 0.00 177.26 175.18 2khj n ARG 74 N -1.86 -7.97 -4.20 3.52 1.74 -0.97 -5.00 116.66 101.93 2khj n ARG 74 Ca 0.00 0.83 -0.12 0.00 -0.77 0.00 0.00 57.85 57.80 2khj n ARG 74 Cb 0.44 -5.89 -0.10 0.00 -1.02 0.00 0.00 32.46 25.89 2khj n ARG 74 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 2khj s ALA 75 N -3.32 1.13 -0.04 7.54 0.00 -1.22 -2.29 121.76 123.56 2khj s ALA 75 Ca 0.58 -1.46 -0.09 0.00 0.00 0.00 0.00 51.96 50.98 2khj s ALA 75 Cb -0.25 0.38 -0.05 0.00 0.00 0.00 0.00 23.12 23.20 2khj s ALA 75 CO 0.73 -0.29 0.27 0.96 0.00 0.00 0.00 175.76 177.43 2khj s ILE 76 N -3.67 5.28 -0.09 0.00 -5.25 -1.26 -0.98 121.20 115.21 2khj s ILE 76 Ca 0.18 0.41 -0.00 0.00 -0.99 0.00 0.00 60.65 60.25 2khj s ILE 76 Cb 0.06 -3.56 -0.03 0.00 2.95 0.00 0.00 42.46 41.88 2khj s ILE 76 CO -0.01 0.52 -0.07 -0.44 -1.79 0.00 0.00 174.94 173.15 2khj s SER 77 N -1.27 4.60 0.05 4.36 0.01 0.21 -3.83 113.70 117.82 2khj s SER 77 Ca 0.22 -0.08 0.05 0.00 1.31 0.00 0.00 55.95 57.45 2khj s SER 77 Cb -0.14 -1.35 -0.02 0.00 0.21 0.00 0.00 66.02 64.72 2khj s SER 77 CO 0.11 0.30 -0.15 -0.76 0.41 0.00 0.00 173.24 173.15 2khj s LEU 78 N -0.41 2.20 -0.23 2.44 1.43 -1.25 -2.60 118.68 120.27 2khj s LEU 78 Ca 0.06 -0.51 -0.07 0.00 -1.03 0.00 0.00 54.13 52.58 2khj s LEU 78 Cb -0.12 -0.61 -0.03 0.00 0.03 0.00 0.00 46.19 45.46 2khj s LEU 78 CO 0.02 0.01 0.05 -0.94 0.23 0.00 0.00 176.35 175.73 2khj s SER 79 N -1.32 5.10 0.50 2.29 1.04 -0.91 -4.12 113.70 116.28 2khj s SER 79 Ca 0.01 -0.18 0.17 0.00 0.48 0.00 0.00 55.95 56.44 2khj s SER 79 Cb -0.09 -1.90 0.94 0.00 0.10 0.00 0.00 66.02 65.07 2khj s SER 79 CO 0.02 0.01 1.47 0.58 0.98 0.00 0.00 173.24 176.30 2khj h VAL 80 N 5.44 0.00 0.10 5.02 2.07 -1.87 0.13 116.25 127.14 2khj h VAL 80 Ca -0.38 0.00 -0.28 0.00 0.82 0.00 0.00 66.70 66.86 2khj h VAL 80 Cb 1.17 0.38 -0.01 0.00 -1.52 0.00 0.00 31.29 31.32 2khj h VAL 80 CO 0.60 0.00 -1.36 -0.09 0.02 0.00 0.00 177.57 176.74 2khj h ARG 81 N 0.00 0.21 0.00 1.57 2.43 -1.91 -3.37 114.38 113.31 2khj h ARG 81 Ca 0.00 -0.36 0.00 0.00 -0.81 0.00 0.00 59.98 58.81 2khj h ARG 81 Cb 0.87 0.14 0.00 0.00 -0.42 0.00 0.00 29.97 30.56 2khj h ARG 81 CO 0.00 1.11 0.00 0.00 -1.51 0.00 0.00 179.97 179.57 2khj n ALA 82 N -2.57 0.00 -3.58 2.80 0.00 -1.24 -4.88 120.51 111.04 2khj n ALA 82 Ca -0.11 0.00 -0.07 0.00 0.00 0.00 0.00 53.44 53.26 2khj n ALA 82 Cb 1.02 0.00 -0.02 0.00 0.00 0.00 0.00 19.45 20.46 2khj n ALA 82 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 177.50 177.71 2khj s LYS 83 N 0.00 0.91 -0.72 0.00 2.20 -1.26 -4.22 119.74 116.64 2khj s LYS 83 Ca 0.00 -0.40 0.04 0.00 -0.36 0.00 0.00 55.97 55.25 2khj s LYS 83 Cb 0.00 0.37 0.24 0.00 -1.51 0.00 0.00 37.83 36.94 2khj s LYS 83 CO 0.00 -0.40 0.81 -3.47 -0.36 0.00 0.00 175.35 171.92 2khj n ASP 84 N -0.31 4.02 -2.18 1.43 2.03 -1.26 -4.76 116.55 115.52 2khj n ASP 84 Ca -0.08 -3.40 -0.25 0.00 0.52 0.00 0.00 54.79 51.58 2khj n ASP 84 Cb 0.61 -0.78 0.01 0.00 -0.72 0.00 0.00 41.12 40.25 2khj n ASP 84 CO 0.00 0.00 0.00 -1.84 -1.92 0.00 0.00 177.20 173.44 2khj n GLU 85 N 1.13 3.54 -1.83 -0.67 0.28 -1.26 -4.89 120.64 116.94 2khj n GLU 85 Ca 0.28 -4.27 -0.01 0.00 -0.16 0.00 0.00 57.16 53.00 2khj n GLU 85 Cb 0.39 -2.27 0.01 0.00 1.43 0.00 0.00 31.44 31.00 2khj n GLU 85 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 177.13 176.97 2khj n ALA 86 N -0.64 -0.41 -0.12 -1.84 0.00 -1.26 -5.03 120.51 111.21 2khj n ALA 86 Ca 0.43 0.00 -0.16 0.00 0.00 0.00 0.00 53.44 53.71 2khj n ALA 86 Cb 0.86 -0.76 -0.13 0.00 0.00 0.00 0.00 19.45 19.42 2khj n ALA 86 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.50 174.03 2khj n ASP 87 N -1.40 1.49 -2.49 0.00 2.03 -1.26 -4.69 116.55 110.23 2khj n ASP 87 Ca -0.01 -0.10 0.00 0.00 0.52 0.00 0.00 54.79 55.20 2khj n ASP 87 Cb 0.51 -0.05 0.05 0.00 -0.72 0.00 0.00 41.12 40.91 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 -3.13 1.28 0.00 -0.67 1.02 -1.26 -5.04 120.64 112.84 2khj n GLU 88 Ca -0.43 -2.76 0.00 0.00 -0.02 0.00 0.00 57.16 53.95 2khj n GLU 88 Cb 1.03 -0.90 0.00 0.00 -0.02 0.00 0.00 31.44 31.55 2khj n GLU 88 CO 0.00 0.00 0.00 0.36 1.18 0.00 0.00 177.13 178.67