#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 0.00 -1.09 3.17 3.04 -1.87 -3.33 116.94 116.87 2khj h PHE 2 Ca 0.00 0.00 0.31 0.00 3.98 0.00 0.00 57.97 62.26 2khj h PHE 2 Cb 0.00 0.00 -0.06 0.00 2.56 0.00 0.00 35.95 38.45 2khj h PHE 2 CO 0.00 0.02 0.76 -0.97 -2.02 0.00 0.00 178.31 176.11 2khj h ASN 3 N 0.00 0.11 0.01 0.41 -0.00 -1.97 0.73 115.58 114.87 2khj h ASN 3 Ca -0.00 0.02 -0.00 0.00 -0.00 0.00 0.00 56.30 56.32 2khj h ASN 3 Cb 0.05 0.00 0.00 0.00 -0.00 0.00 0.00 38.32 38.37 2khj h ASN 3 CO 0.00 0.02 -0.00 0.78 -0.00 0.00 0.00 177.43 178.23 2khj h ASN 4 N 0.10 -0.01 -0.79 1.15 4.21 -1.93 -3.42 115.58 114.89 2khj h ASN 4 Ca 0.54 -0.82 0.19 0.00 1.21 0.00 0.00 56.30 57.43 2khj h ASN 4 Cb 1.95 0.00 -0.05 0.00 -1.12 0.00 0.00 38.32 39.11 2khj h ASN 4 CO -0.08 0.85 0.55 -0.25 -1.29 0.00 0.00 177.43 177.21 2khj h TRP 5 N -0.91 0.29 -1.00 1.19 7.01 -1.02 -3.28 115.95 118.22 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 0.83 -0.09 -0.05 0.00 -2.10 0.00 0.00 29.16 27.75 2khj h TRP 5 CO 0.22 0.09 0.71 0.28 -2.79 0.00 0.00 178.44 176.95 2khj h VAL 6 N 0.23 0.51 -0.27 2.65 2.07 -1.69 0.44 116.25 120.18 2khj h VAL 6 Ca 0.39 -0.02 -0.13 0.00 0.82 0.00 0.00 66.70 67.76 2khj h VAL 6 Cb 1.20 0.44 -0.01 0.00 -1.52 0.00 0.00 31.29 31.40 2khj h VAL 6 CO -0.09 0.01 -0.38 0.00 0.02 0.00 0.00 177.57 177.13 2khj h ALA 7 N 1.51 0.83 0.04 1.67 0.00 -1.89 -3.37 119.26 118.06 2khj h ALA 7 Ca 0.49 -0.43 -0.38 0.00 0.00 0.00 0.00 54.91 54.59 2khj h ALA 7 Cb 1.84 -0.11 -0.05 0.00 0.00 0.00 0.00 17.79 19.47 2khj h ALA 7 CO -0.04 0.64 -2.28 -0.11 0.00 0.00 0.00 179.25 177.46 2khj n LEU 8 N -4.04 2.67 -4.62 0.00 7.94 0.65 -5.07 117.00 114.53 2khj n LEU 8 Ca -0.01 0.01 -0.28 0.00 -1.11 0.00 0.00 56.01 54.61 2khj n LEU 8 Cb 0.51 -0.89 -0.09 0.00 0.53 0.00 0.00 43.42 43.48 2khj n LEU 8 CO 0.45 0.87 -0.38 0.21 -1.11 0.00 0.00 177.39 177.44 2khj s ASN 9 N -6.65 4.55 -0.12 1.96 3.84 0.12 -5.14 114.94 113.50 2khj s ASN 9 Ca -0.29 -0.41 -0.03 0.00 0.21 0.00 0.00 52.86 52.34 2khj s ASN 9 Cb 0.08 -0.90 -0.03 0.00 -0.55 0.00 0.00 41.25 39.84 2khj s ASN 9 CO 0.68 0.13 0.00 -1.59 -2.79 0.00 0.00 177.10 173.53 2khj s LYS 10 N -2.61 3.34 0.38 0.43 -2.85 -1.26 -4.57 119.74 112.60 2khj s LYS 10 Ca 0.25 -0.42 -0.25 0.00 -1.00 0.00 0.00 55.97 54.55 2khj s LYS 10 Cb -0.10 -2.90 -0.09 0.00 -2.06 0.00 0.00 37.83 32.68 2khj s LYS 10 CO 0.16 0.51 1.07 0.15 0.10 0.00 0.00 175.35 177.34 2khj s LYS 11 N -0.35 4.21 0.00 1.78 1.02 -1.26 -4.08 119.74 121.06 2khj s LYS 11 Ca 0.07 1.58 0.00 0.00 0.02 0.00 0.00 55.97 57.64 2khj s LYS 11 Cb -0.12 -2.64 0.00 0.00 -0.52 0.00 0.00 37.83 34.55 2khj s LYS 11 CO 0.02 -0.11 0.00 0.41 -0.92 0.00 0.00 175.35 174.75 2khj n GLY 12 N 0.49 0.30 3.86 -3.33 0.00 -0.41 -5.05 105.19 101.05 2khj n GLY 12 Ca 0.04 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.85 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 3.81 -0.07 4.61 0.00 -1.26 -4.82 121.76 122.04 2khj s ALA 13 Ca 0.00 -1.57 0.04 0.00 0.00 0.00 0.00 51.96 50.43 2khj s ALA 13 Cb 0.00 -1.26 -0.02 0.00 0.00 0.00 0.00 23.12 21.84 2khj s ALA 13 CO 0.00 0.07 -0.19 0.96 0.00 0.00 0.00 175.76 176.61 2khj s ILE 14 N -2.24 2.64 0.10 0.00 -4.36 -1.26 0.05 121.20 116.13 2khj s ILE 14 Ca 0.39 -0.85 0.02 0.00 -0.26 0.00 0.00 60.65 59.94 2khj s ILE 14 Cb -0.07 -2.02 -0.04 0.00 1.25 0.00 0.00 42.46 41.58 2khj s ILE 14 CO 0.27 0.57 -0.06 0.68 0.24 0.00 0.00 174.94 176.63 2khj s VAL 15 N -0.27 0.69 -0.20 8.37 -7.23 -0.00 -4.89 120.40 116.86 2khj s VAL 15 Ca 0.01 -1.94 -0.12 0.00 -1.81 0.00 0.00 61.98 58.12 2khj s VAL 15 Cb -0.13 -1.69 -0.05 0.00 0.56 0.00 0.00 36.38 35.07 2khj s VAL 15 CO 0.03 -0.86 0.22 0.28 -0.31 0.00 0.00 175.10 174.45 2khj s THR 16 N -3.63 5.34 0.21 5.32 -1.32 -1.26 -0.85 115.64 119.45 2khj s THR 16 Ca 0.12 0.35 0.02 0.00 -1.21 0.00 0.00 61.69 60.97 2khj s THR 16 Cb 0.05 -3.56 -0.05 0.00 -1.51 0.00 0.00 72.50 67.44 2khj s THR 16 CO -0.05 0.37 0.03 -0.83 -2.21 0.00 0.00 174.62 171.94 2khj s GLY 17 N 0.70 1.42 -0.00 6.08 0.00 -0.10 -4.86 107.32 110.56 2khj s GLY 17 Ca 0.12 -1.70 0.06 0.00 0.00 0.00 0.00 44.72 43.20 2khj s GLY 17 CO 0.03 -1.56 -0.18 -1.59 0.00 0.00 0.00 173.10 169.80 2khj s LYS 18 N -3.95 2.24 0.19 2.90 -2.85 0.72 -0.48 119.74 118.52 2khj s LYS 18 Ca 0.29 -0.86 -0.31 0.00 -1.00 0.00 0.00 55.97 54.09 2khj s LYS 18 Cb 0.07 -2.24 -0.10 0.00 -2.06 0.00 0.00 37.83 33.50 2khj s LYS 18 CO 0.08 0.58 1.49 0.08 0.10 0.00 0.00 175.35 177.67 2khj s VAL 19 N -0.81 2.75 0.00 1.79 1.01 -0.92 0.51 120.40 124.74 2khj s VAL 19 Ca 0.13 0.57 0.00 0.00 0.00 0.00 0.00 61.98 62.68 2khj s VAL 19 Cb -0.10 -3.37 0.00 0.00 0.00 0.00 0.00 36.38 32.91 2khj s VAL 19 CO 0.03 0.06 0.00 0.41 0.00 0.00 0.00 175.10 175.60 2khj n THR 20 N 3.31 0.00 -3.69 3.92 -1.04 -1.13 0.57 114.28 116.21 2khj n THR 20 Ca 0.11 0.00 -0.15 0.00 -2.04 0.00 0.00 64.05 61.97 2khj n THR 20 Cb 0.40 -0.22 -0.08 0.00 -1.82 0.00 0.00 70.33 68.61 2khj n THR 20 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 2khj s ALA 21 N -1.51 -1.07 0.08 2.41 0.00 -1.20 -4.99 121.76 115.49 2khj s ALA 21 Ca 0.00 0.66 0.09 0.00 0.00 0.00 0.00 51.96 52.71 2khj s ALA 21 Cb 0.00 -0.01 -0.04 0.00 0.00 0.00 0.00 23.12 23.08 2khj s ALA 21 CO 0.00 -0.29 -0.21 0.14 0.00 0.00 0.00 175.76 175.40 2khj s VAL 22 N -1.16 2.57 0.40 0.00 -7.23 -1.26 -0.74 120.40 112.97 2khj s VAL 22 Ca -0.12 -1.43 0.08 0.00 -1.81 0.00 0.00 61.98 58.70 2khj s VAL 22 Cb -0.04 -2.11 -0.02 0.00 0.56 0.00 0.00 36.38 34.78 2khj s VAL 22 CO 0.05 0.23 0.39 -1.81 -0.31 0.00 0.00 175.10 173.65 2khj s ASP 23 N -1.71 5.20 0.36 4.85 1.01 0.04 -4.94 116.67 121.48 2khj s ASP 23 Ca 0.15 -0.64 0.03 0.00 0.71 0.00 0.00 52.55 52.80 2khj s ASP 23 Cb -0.10 -0.68 0.67 0.00 1.01 0.00 0.00 42.92 43.81 2khj s ASP 23 CO 0.06 -0.60 2.00 0.00 0.21 0.00 0.00 175.17 176.85 2khj h ALA 24 N 1.02 1.59 -0.02 5.23 0.00 -2.03 -1.69 119.26 123.35 2khj h ALA 24 Ca -0.42 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.45 2khj h ALA 24 Cb 1.27 -0.24 0.00 0.00 0.00 0.00 0.00 17.79 18.82 2khj h ALA 24 CO 0.56 0.37 -0.01 1.17 0.00 0.00 0.00 179.25 181.34 2khj n LYS 25 N -4.45 1.26 -4.32 0.00 4.81 -1.26 -5.08 118.16 109.12 2khj n LYS 25 Ca 0.07 -1.45 -0.17 0.00 -0.87 0.00 0.00 58.31 55.89 2khj n LYS 25 Cb 0.08 -1.31 -0.10 0.00 0.02 0.00 0.00 35.03 33.72 2khj n LYS 25 CO 0.00 0.00 0.00 0.20 1.17 0.00 0.00 177.40 178.77 2khj s GLY 26 N -1.36 1.33 -0.03 3.14 0.00 -0.64 -4.39 107.32 105.38 2khj s GLY 26 Ca 0.19 -1.62 -0.01 0.00 0.00 0.00 0.00 44.72 43.28 2khj s GLY 26 CO 0.21 -1.71 0.06 0.00 0.00 0.00 0.00 173.10 171.66 2khj s ALA 27 N -3.09 -0.05 -0.24 3.20 0.00 -0.43 -0.78 121.76 120.38 2khj s ALA 27 Ca 0.21 0.38 -0.10 0.00 0.00 0.00 0.00 51.96 52.45 2khj s ALA 27 Cb 0.01 -0.28 -0.05 0.00 0.00 0.00 0.00 23.12 22.80 2khj s ALA 27 CO 0.05 -0.11 0.15 0.99 0.00 0.00 0.00 175.76 176.84 2khj s THR 28 N 0.93 5.24 -0.04 0.00 2.01 0.08 -1.24 115.64 122.62 2khj s THR 28 Ca -0.08 0.14 0.01 0.00 0.31 0.00 0.00 61.69 62.07 2khj s THR 28 Cb -0.10 -3.44 -0.03 0.00 0.01 0.00 0.00 72.50 68.93 2khj s THR 28 CO -0.03 0.35 -0.03 0.54 -0.69 0.00 0.00 174.62 174.76 2khj s VAL 29 N 1.05 3.96 -0.13 3.82 0.11 -1.19 -2.85 120.40 125.17 2khj s VAL 29 Ca 0.07 -0.53 -0.20 0.00 -2.93 0.00 0.00 61.98 58.39 2khj s VAL 29 Cb -0.14 -2.69 -0.04 0.00 -1.53 0.00 0.00 36.38 31.99 2khj s VAL 29 CO 0.04 0.49 0.58 -0.70 -3.33 0.00 0.00 175.10 172.18 2khj s GLU 30 N -1.18 4.32 0.00 1.54 2.12 0.18 -1.77 118.70 123.91 2khj s GLU 30 Ca 0.16 0.60 0.14 0.00 0.36 0.00 0.00 54.97 56.23 2khj s GLU 30 Cb -0.11 -3.49 0.12 0.00 0.26 0.00 0.00 34.13 30.91 2khj s GLU 30 CO 0.06 0.00 0.95 1.28 -0.54 0.00 0.00 175.26 177.00 2khj n LEU 31 N 4.16 2.17 -1.03 2.70 7.99 0.87 -0.20 117.00 133.68 2khj n LEU 31 Ca -0.04 -1.04 0.09 0.00 -0.01 0.00 0.00 56.01 55.01 2khj n LEU 31 Cb 0.51 -0.01 -0.05 0.00 -0.11 0.00 0.00 43.42 43.76 2khj n LEU 31 CO 0.44 0.41 -0.42 0.00 -1.51 0.00 0.00 177.39 176.31 2khj n ALA 32 N 0.77 -2.34 -1.05 -1.18 0.00 -1.02 -4.71 120.51 110.98 2khj n ALA 32 Ca 0.08 0.57 -0.02 0.00 0.00 0.00 0.00 53.44 54.08 2khj n ALA 32 Cb 0.35 -1.12 -0.01 0.00 0.00 0.00 0.00 19.45 18.67 2khj n ALA 32 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 2khj n ASP 33 N -3.27 -3.97 0.00 0.00 8.00 -1.26 -2.55 116.55 113.51 2khj n ASP 33 Ca -0.05 0.05 0.00 0.00 0.71 0.00 0.00 54.79 55.50 2khj n ASP 33 Cb 0.44 -1.63 0.00 0.00 -0.02 0.00 0.00 41.12 39.91 2khj n ASP 33 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 2khj n GLY 34 N -1.78 1.15 3.73 0.44 0.00 -1.26 -5.03 105.19 102.43 2khj n GLY 34 Ca -0.02 -0.23 -0.35 0.00 0.00 0.00 0.00 46.02 45.42 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 -2.00 4.77 0.13 1.61 1.01 -1.06 -3.80 120.40 121.08 2khj s VAL 35 Ca 0.00 -0.06 0.07 0.00 0.00 0.00 0.00 61.98 61.99 2khj s VAL 35 Cb 0.00 -3.07 -0.04 0.00 0.00 0.00 0.00 36.38 33.27 2khj s VAL 35 CO 0.00 0.57 -0.16 -1.61 0.00 0.00 0.00 175.10 173.91 2khj s GLU 36 N -0.61 1.10 0.00 2.72 2.02 -1.26 -0.09 118.70 122.58 2khj s GLU 36 Ca 0.11 -1.28 0.00 0.00 0.02 0.00 0.00 54.97 53.82 2khj s GLU 36 Cb -0.12 -1.06 0.00 0.00 0.10 0.00 0.00 34.13 33.05 2khj s GLU 36 CO 0.02 0.21 0.00 0.41 0.02 0.00 0.00 175.26 175.92 2khj n GLY 37 N 0.51 4.62 3.69 -1.39 0.00 -0.73 -4.71 105.19 107.18 2khj n GLY 37 Ca -0.15 -1.21 -0.35 0.00 0.00 0.00 0.00 46.02 44.31 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 -1.34 3.19 -0.03 1.61 2.02 -1.24 -3.14 117.35 118.42 2khj s TYR 38 Ca 0.00 0.19 0.02 0.00 -0.37 0.00 0.00 57.07 56.91 2khj s TYR 38 Cb 0.00 -1.82 0.01 0.00 -0.40 0.00 0.00 41.96 39.75 2khj s TYR 38 CO 0.00 0.45 -0.06 -1.17 -1.57 0.00 0.00 175.55 173.20 2khj s LEU 39 N -0.79 1.61 0.54 -1.29 1.98 -0.37 -3.39 118.68 116.97 2khj s LEU 39 Ca 0.12 -0.14 -0.15 0.00 -2.89 0.00 0.00 54.13 51.07 2khj s LEU 39 Cb -0.12 -0.46 -0.07 0.00 0.66 0.00 0.00 46.19 46.21 2khj s LEU 39 CO 0.02 0.01 0.99 -0.13 -1.89 0.00 0.00 176.35 175.35 2khj s ARG 40 N 0.48 3.84 0.61 1.98 0.52 -1.26 -1.31 118.95 123.81 2khj s ARG 40 Ca -0.07 0.87 0.28 0.00 -0.52 0.00 0.00 55.73 56.30 2khj s ARG 40 Cb -0.10 -2.13 1.49 0.00 0.52 0.00 0.00 34.95 34.72 2khj s ARG 40 CO 0.00 -0.34 1.88 0.00 0.02 0.00 0.00 175.30 176.87 2khj h ALA 41 N 0.58 1.94 0.00 2.13 0.00 -1.85 -1.92 119.26 120.14 2khj h ALA 41 Ca -0.46 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.44 2khj h ALA 41 Cb 1.19 0.02 0.00 0.00 0.00 0.00 0.00 17.79 19.00 2khj h ALA 41 CO 0.62 -0.61 0.00 0.66 0.00 0.00 0.00 179.25 179.91 2khj h SER 42 N 0.00 0.00 0.00 0.00 4.64 -1.97 -3.48 113.55 112.74 2khj h SER 42 Ca 0.15 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.47 2khj h SER 42 Cb 1.05 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.14 2khj h SER 42 CO -0.00 0.00 0.00 1.21 -0.87 0.00 0.00 176.83 177.17 2khj n GLU 43 N -3.04 0.00 0.00 4.77 2.13 -0.73 -4.58 120.64 119.20 2khj n GLU 43 Ca 0.02 0.00 0.00 0.00 0.66 0.00 0.00 57.16 57.84 2khj n GLU 43 Cb 0.39 0.00 0.00 0.00 0.27 0.00 0.00 31.44 32.10 2khj n GLU 43 CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72 2khj n ALA 44 N 0.00 0.00 -1.00 4.31 0.00 -1.26 -4.83 120.51 117.73 2khj n ALA 44 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 2khj n ALA 44 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.45 2khj n ALA 44 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.50 176.37 2khj n SER 45 N 0.00 0.00 0.05 0.00 3.41 -1.26 -3.14 113.62 112.68 2khj n SER 45 Ca 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.61 2khj n SER 45 Cb 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 63.95 2khj n SER 45 CO 0.00 0.00 0.00 -1.14 -0.16 0.00 0.00 175.04 173.74 2khj n ARG 46 N -0.23 0.00 0.02 4.33 3.00 -1.26 -1.88 116.66 120.65 2khj n ARG 46 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 57.85 57.85 2khj n ARG 46 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 32.46 32.46 2khj n ARG 46 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.63 174.16 2khj n ASP 47 N -2.67 0.03 -0.22 6.15 2.03 -1.26 -4.90 116.55 115.70 2khj n ASP 47 Ca 0.00 0.07 0.00 0.00 0.52 0.00 0.00 54.79 55.38 2khj n ASP 47 Cb 0.00 0.04 0.00 0.00 -0.72 0.00 0.00 41.12 40.44 2khj n ASP 47 CO 0.00 0.00 0.00 0.54 -1.92 0.00 0.00 177.20 175.82 2khj n ARG 48 N -2.66 3.41 0.00 -0.67 1.74 -1.26 -4.86 116.66 112.36 2khj n ARG 48 Ca 0.00 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 57.08 2khj n ARG 48 Cb 0.00 0.00 0.00 0.00 -1.02 0.00 0.00 32.46 31.44 2khj n ARG 48 CO 0.00 0.00 0.00 1.33 -1.52 0.00 0.00 177.63 177.44 2khj n VAL 49 N 0.00 0.00 -4.71 1.55 0.24 -1.26 -4.66 118.33 109.50 2khj n VAL 49 Ca 0.00 0.00 -0.33 0.00 -2.04 0.00 0.00 64.34 61.97 2khj n VAL 49 Cb 0.00 -0.23 -0.15 0.00 -1.47 0.00 0.00 33.84 31.98 2khj n VAL 49 CO 0.00 0.00 0.00 -1.83 -2.14 0.00 0.00 176.83 172.86 2khj s GLU 50 N 0.00 3.22 0.00 7.34 1.03 -1.26 -4.90 118.70 124.14 2khj s GLU 50 Ca 0.00 -0.76 0.00 0.00 0.03 0.00 0.00 54.97 54.24 2khj s GLU 50 Cb 0.00 -2.57 0.00 0.00 -0.80 0.00 0.00 34.13 30.76 2khj s GLU 50 CO 0.00 0.09 0.00 -0.25 -1.33 0.00 0.00 175.26 173.77 2khj n ASP 51 N 3.84 0.00 0.09 0.83 8.00 -1.26 -4.88 116.55 123.16 2khj n ASP 51 Ca -0.19 0.00 0.03 0.00 0.71 0.00 0.00 54.79 55.34 2khj n ASP 51 Cb 0.52 0.00 0.14 0.00 -0.02 0.00 0.00 41.12 41.76 2khj n ASP 51 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 2khj n ALA 52 N -3.00 0.43 0.27 2.24 0.00 -0.78 -3.64 120.51 116.03 2khj n ALA 52 Ca 0.00 0.05 0.12 0.00 0.00 0.00 0.00 53.44 53.61 2khj n ALA 52 Cb 0.00 -0.50 0.76 0.00 0.00 0.00 0.00 19.45 19.71 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 0.72 0.00 0.00 2.02 -1.81 -1.24 112.91 112.60 2khj h THR 53 Ca 0.00 -0.22 0.00 0.00 0.77 0.00 0.00 66.41 66.96 2khj h THR 53 Cb 0.74 1.13 0.00 0.00 -1.74 0.00 0.00 68.15 68.28 2khj h THR 53 CO 0.00 0.06 -0.12 0.17 0.37 0.00 0.00 175.52 176.00 2khj h LEU 54 N 0.00 0.00 -3.16 2.58 8.10 -1.90 -3.36 115.31 117.57 2khj h LEU 54 Ca -0.00 -0.00 0.00 0.00 0.11 0.00 0.00 57.88 57.99 2khj h LEU 54 Cb 0.13 0.00 0.00 0.00 -0.44 0.00 0.00 40.66 40.35 2khj h LEU 54 CO 0.01 0.00 0.00 0.55 -4.11 0.00 0.00 178.44 174.89 2khj n VAL 55 N -3.05 2.05 -4.48 0.15 3.14 -0.51 -4.89 118.33 110.75 2khj n VAL 55 Ca 0.04 -1.88 -0.23 0.00 -2.96 0.00 0.00 64.34 59.30 2khj n VAL 55 Cb 0.53 -0.17 -0.16 0.00 -1.06 0.00 0.00 33.84 32.98 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 -2.64 1.59 0.32 6.55 1.43 -0.96 -5.06 118.68 119.91 2khj s LEU 56 Ca 0.37 -0.25 0.09 0.00 -1.03 0.00 0.00 54.13 53.30 2khj s LEU 56 Cb 0.30 -0.72 -0.04 0.00 0.03 0.00 0.00 46.19 45.75 2khj s LEU 56 CO 0.08 0.02 0.08 -0.55 0.23 0.00 0.00 176.35 176.21 2khj s SER 57 N 0.67 4.57 0.03 2.29 0.15 -1.26 -4.93 113.70 115.22 2khj s SER 57 Ca -0.13 -0.77 -0.33 0.00 0.70 0.00 0.00 55.95 55.42 2khj s SER 57 Cb -0.15 -0.73 -0.11 0.00 -1.71 0.00 0.00 66.02 63.31 2khj s SER 57 CO 0.03 -0.21 1.83 0.55 1.20 0.00 0.00 173.24 176.63 2khj n VAL 58 N -1.05 0.44 -0.44 4.45 3.14 -1.26 -1.10 118.33 122.52 2khj n VAL 58 Ca -0.04 -0.08 0.00 0.00 -2.96 0.00 0.00 64.34 61.26 2khj n VAL 58 Cb 0.61 -1.94 0.00 0.00 -1.06 0.00 0.00 33.84 31.45 2khj n VAL 58 CO 0.00 0.00 0.00 0.61 -6.46 0.00 0.00 176.83 170.98 2khj n GLY 59 N 4.19 1.13 3.89 7.55 0.00 0.19 -4.93 105.19 117.21 2khj n GLY 59 Ca 0.20 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.87 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 -3.07 6.38 -0.05 1.61 2.15 -0.25 -4.77 116.67 118.67 2khj s ASP 60 Ca 0.00 0.42 -0.04 0.00 0.43 0.00 0.00 52.55 53.36 2khj s ASP 60 Cb 0.00 -2.04 -0.04 0.00 -0.30 0.00 0.00 42.92 40.54 2khj s ASP 60 CO 0.00 0.34 0.16 -1.61 -0.17 0.00 0.00 175.17 173.89 2khj s GLU 61 N -1.45 3.41 0.10 4.34 2.02 -1.26 -2.16 118.70 123.70 2khj s GLU 61 Ca 0.21 -0.27 0.10 0.00 0.02 0.00 0.00 54.97 55.03 2khj s GLU 61 Cb -0.12 -3.11 -0.04 0.00 0.10 0.00 0.00 34.13 30.96 2khj s GLU 61 CO 0.11 0.71 -0.25 0.08 0.02 0.00 0.00 175.26 175.93 2khj s VAL 62 N -1.21 2.37 -0.28 2.63 1.01 0.36 -4.91 120.40 120.37 2khj s VAL 62 Ca 0.23 -1.57 -0.16 0.00 0.00 0.00 0.00 61.98 60.49 2khj s VAL 62 Cb -0.12 -2.02 -0.03 0.00 0.00 0.00 0.00 36.38 34.21 2khj s VAL 62 CO 0.13 0.19 0.40 -1.61 0.00 0.00 0.00 175.10 174.22 2khj s GLU 63 N -1.79 3.98 0.16 2.72 2.02 -1.26 -0.92 118.70 123.60 2khj s GLU 63 Ca 0.14 0.05 0.05 0.00 0.02 0.00 0.00 54.97 55.23 2khj s GLU 63 Cb -0.10 -3.67 -0.05 0.00 0.10 0.00 0.00 34.13 30.41 2khj s GLU 63 CO 0.05 -0.32 -0.09 0.00 0.02 0.00 0.00 175.26 174.92 2khj s ALA 64 N 2.12 1.53 -0.15 5.21 0.00 -0.03 -2.82 121.76 127.63 2khj s ALA 64 Ca 0.16 -1.53 -0.08 0.00 0.00 0.00 0.00 51.96 50.51 2khj s ALA 64 Cb -0.16 0.09 -0.04 0.00 0.00 0.00 0.00 23.12 23.00 2khj s ALA 64 CO 0.10 -0.10 0.13 0.21 0.00 0.00 0.00 175.76 176.10 2khj s LYS 65 N -3.75 3.71 -0.51 0.00 2.20 0.69 -0.82 119.74 121.25 2khj s LYS 65 Ca 0.18 -0.17 -0.19 0.00 -0.36 0.00 0.00 55.97 55.43 2khj s LYS 65 Cb 0.03 -3.27 0.06 0.00 -1.51 0.00 0.00 37.83 33.14 2khj s LYS 65 CO 0.02 0.60 0.63 -0.06 -0.36 0.00 0.00 175.35 176.18 2khj s PHE 66 N -0.50 3.04 -0.20 4.03 0.08 0.11 -2.15 117.98 122.39 2khj s PHE 66 Ca 0.12 -0.56 -0.14 0.00 0.12 0.00 0.00 56.93 56.47 2khj s PHE 66 Cb -0.12 -3.57 -0.20 0.00 -0.57 0.00 0.00 43.02 38.56 2khj s PHE 66 CO 0.02 -1.05 0.13 0.25 -0.10 0.00 0.00 175.22 174.47 2khj n THR 67 N 5.62 1.61 -3.85 0.64 -2.24 -1.00 -1.29 114.28 113.77 2khj n THR 67 Ca -0.07 -0.32 0.02 0.00 -2.27 0.00 0.00 64.05 61.41 2khj n THR 67 Cb 0.45 -1.87 0.01 0.00 -2.10 0.00 0.00 70.33 66.82 2khj n THR 67 CO 0.00 0.00 0.00 -0.83 -0.57 0.00 0.00 175.07 173.67 2khj s GLY 68 N -5.32 -0.23 0.02 3.38 0.00 -1.22 -4.85 107.32 99.10 2khj s GLY 68 Ca -0.29 0.27 0.07 0.00 0.00 0.00 0.00 44.72 44.77 2khj s GLY 68 CO 0.63 3.51 -0.20 0.54 0.00 0.00 0.00 173.10 177.58 2khj s VAL 69 N -2.16 1.57 -0.14 1.40 0.11 -1.26 -0.76 120.40 119.16 2khj s VAL 69 Ca 0.24 -1.01 -0.24 0.00 -2.93 0.00 0.00 61.98 58.04 2khj s VAL 69 Cb 0.02 -1.34 -0.02 0.00 -1.53 0.00 0.00 36.38 33.50 2khj s VAL 69 CO -0.02 0.30 0.75 -1.81 -3.33 0.00 0.00 175.10 171.00 2khj s ASP 70 N -0.83 6.91 0.31 3.54 1.01 0.36 -4.95 116.67 123.02 2khj s ASP 70 Ca 0.07 1.11 0.11 0.00 0.71 0.00 0.00 52.55 54.56 2khj s ASP 70 Cb -0.08 -2.42 0.47 0.00 1.01 0.00 0.00 42.92 41.90 2khj s ASP 70 CO 0.01 -0.29 1.68 0.08 0.21 0.00 0.00 175.17 176.86 2khj h ARG 71 N 7.19 0.00 -0.24 8.23 0.11 -1.97 -1.53 114.38 126.17 2khj h ARG 71 Ca -0.33 0.00 -0.19 0.00 0.10 0.00 0.00 59.98 59.56 2khj h ARG 71 Cb 1.15 0.00 0.00 0.00 1.11 0.00 0.00 29.97 32.24 2khj h ARG 71 CO 0.80 0.54 -0.58 0.87 0.10 0.00 0.00 179.97 181.70 2khj h LYS 72 N 0.00 0.82 0.00 0.08 1.57 -1.97 -3.31 116.57 113.75 2khj h LYS 72 Ca -0.01 -0.56 0.00 0.00 -1.87 0.00 0.00 60.65 58.22 2khj h LYS 72 Cb 0.96 0.08 0.00 0.00 0.08 0.00 0.00 32.23 33.35 2khj h LYS 72 CO 0.07 1.18 -0.89 -1.71 -0.57 0.00 0.00 179.45 177.54 2khj n ASN 73 N -4.03 0.92 -2.60 0.86 4.05 -1.25 -5.06 115.26 108.15 2khj n ASN 73 Ca -0.05 -0.62 -0.10 0.00 0.45 0.00 0.00 54.58 54.25 2khj n ASN 73 Cb 0.64 1.16 0.05 0.00 1.23 0.00 0.00 39.78 42.86 2khj n ASN 73 CO 0.00 0.00 0.00 0.54 -3.05 0.00 0.00 177.26 174.75 2khj n ARG 74 N -1.48 -3.04 -4.26 1.20 1.74 -0.58 -5.05 116.66 105.19 2khj n ARG 74 Ca 0.01 0.55 -0.14 0.00 -0.77 0.00 0.00 57.85 57.51 2khj n ARG 74 Cb 0.25 -4.51 -0.10 0.00 -1.02 0.00 0.00 32.46 27.07 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 -3.24 1.46 -0.04 7.54 0.00 -1.18 -3.99 121.76 122.31 2khj s ALA 75 Ca 0.13 -1.58 -0.13 0.00 0.00 0.00 0.00 51.96 50.38 2khj s ALA 75 Cb -0.02 0.33 -0.05 0.00 0.00 0.00 0.00 23.12 23.38 2khj s ALA 75 CO 0.47 -0.22 0.36 0.96 0.00 0.00 0.00 175.76 177.33 2khj s ILE 76 N -3.49 5.14 -0.12 0.00 -5.25 -1.26 -0.49 121.20 115.73 2khj s ILE 76 Ca 0.21 0.72 -0.00 0.00 -0.99 0.00 0.00 60.65 60.59 2khj s ILE 76 Cb 0.05 -3.66 -0.02 0.00 2.95 0.00 0.00 42.46 41.78 2khj s ILE 76 CO 0.03 0.56 -0.12 -0.44 -1.79 0.00 0.00 174.94 173.18 2khj s SER 77 N -0.87 4.11 0.07 4.36 0.01 0.06 -3.66 113.70 117.77 2khj s SER 77 Ca 0.22 -0.29 0.09 0.00 1.31 0.00 0.00 55.95 57.28 2khj s SER 77 Cb -0.16 -1.55 -0.03 0.00 0.21 0.00 0.00 66.02 64.49 2khj s SER 77 CO 0.11 0.19 -0.23 -0.76 0.41 0.00 0.00 173.24 172.95 2khj s LEU 78 N 0.23 2.22 -0.11 2.44 1.02 -1.22 -2.37 118.68 120.88 2khj s LEU 78 Ca -0.08 -0.61 -0.03 0.00 0.02 0.00 0.00 54.13 53.43 2khj s LEU 78 Cb -0.15 -1.08 -0.03 0.00 0.02 0.00 0.00 46.19 44.94 2khj s LEU 78 CO 0.05 0.17 0.01 -0.44 0.02 0.00 0.00 176.35 176.16 2khj s SER 79 N -1.47 5.24 0.42 2.29 0.01 -0.92 -4.02 113.70 115.24 2khj s SER 79 Ca 0.09 0.09 0.13 0.00 1.31 0.00 0.00 55.95 57.58 2khj s SER 79 Cb -0.10 -1.62 0.71 0.00 0.21 0.00 0.00 66.02 65.23 2khj s SER 79 CO 0.03 0.31 1.30 -0.37 0.41 0.00 0.00 173.24 174.92 2khj h VAL 80 N 4.45 0.00 -0.33 3.43 -1.51 -1.87 0.20 116.25 120.61 2khj h VAL 80 Ca -0.45 0.00 -0.10 0.00 -1.23 0.00 0.00 66.70 64.92 2khj h VAL 80 Cb 1.19 0.29 -0.01 0.00 -2.13 0.00 0.00 31.29 30.63 2khj h VAL 80 CO 0.58 0.00 -0.20 0.03 -1.23 0.00 0.00 177.57 176.76 2khj h ARG 81 N 0.00 0.71 0.00 5.19 3.08 -1.90 -3.38 114.38 118.09 2khj h ARG 81 Ca 0.00 -0.33 0.00 0.00 0.07 0.00 0.00 59.98 59.72 2khj h ARG 81 Cb 0.87 -0.01 0.00 0.00 0.08 0.00 0.00 29.97 30.91 2khj h ARG 81 CO 0.00 0.94 0.00 0.00 -1.07 0.00 0.00 179.97 179.84 2khj n ALA 82 N -2.47 0.00 0.00 0.04 0.00 -1.13 -4.36 120.51 112.59 2khj n ALA 82 Ca -0.03 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.41 2khj n ALA 82 Cb 0.42 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.87 2khj n ALA 82 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 177.50 178.67 2khj n LYS 83 N 0.00 0.00 -3.59 0.00 4.81 -1.26 -4.87 118.16 113.26 2khj n LYS 83 Ca 0.00 0.00 -0.12 0.00 -0.87 0.00 0.00 58.31 57.32 2khj n LYS 83 Cb 0.00 0.00 -0.03 0.00 0.02 0.00 0.00 35.03 35.02 2khj n LYS 83 CO 0.00 0.00 0.00 -0.40 1.17 0.00 0.00 177.40 178.17 2khj n ASP 84 N 0.00 -1.16 -0.46 3.14 5.68 -1.26 -5.08 116.55 117.42 2khj n ASP 84 Ca 0.00 -2.59 0.14 0.00 -0.50 0.00 0.00 54.79 51.84 2khj n ASP 84 Cb 0.00 2.15 0.54 0.00 -1.14 0.00 0.00 41.12 42.68 2khj n ASP 84 CO 0.00 0.00 0.00 -0.62 -1.33 0.00 0.00 177.20 175.25 2khj n GLU 85 N -0.48 1.64 -1.74 0.11 1.02 -1.26 -4.68 120.64 115.24 2khj n GLU 85 Ca 0.00 -0.92 -0.40 0.00 -0.02 0.00 0.00 57.16 55.82 2khj n GLU 85 Cb 0.49 -1.48 -0.01 0.00 -0.02 0.00 0.00 31.44 30.42 2khj n GLU 85 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 2khj n ALA 86 N 0.12 6.80 -1.90 0.62 0.00 -1.26 -3.99 120.51 120.90 2khj n ALA 86 Ca 0.19 -3.88 0.00 0.00 0.00 0.00 0.00 53.44 49.76 2khj n ALA 86 Cb 0.34 -3.12 0.00 0.00 0.00 0.00 0.00 19.45 16.68 2khj n ALA 86 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 177.50 177.10 2khj n ASP 87 N 3.18 0.00 -2.73 0.00 5.75 -1.26 -4.91 116.55 116.58 2khj n ASP 87 Ca 0.65 -1.47 -0.08 0.00 -0.01 0.00 0.00 54.79 53.87 2khj n ASP 87 Cb 0.27 -0.09 0.10 0.00 -1.03 0.00 0.00 41.12 40.36 2khj n ASP 87 CO 0.00 0.00 0.00 1.21 -0.11 0.00 0.00 177.20 178.30 2khj n GLU 88 N 0.00 1.11 0.00 0.11 2.13 -1.26 -5.26 120.64 117.47 2khj n GLU 88 Ca 0.00 -1.98 0.00 0.00 0.66 0.00 0.00 57.16 55.84 2khj n GLU 88 Cb 0.59 -0.60 0.00 0.00 0.27 0.00 0.00 31.44 31.71 2khj n GLU 88 CO 0.00 0.00 0.00 0.36 -0.41 0.00 0.00 177.13 177.08