#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 0.92 -0.98 3.17 3.57 -1.90 -3.33 116.94 118.39 2khj h PHE 2 Ca 0.00 0.03 0.25 0.00 3.53 0.00 0.00 57.97 61.78 2khj h PHE 2 Cb 0.00 -0.28 -0.07 0.00 2.79 0.00 0.00 35.95 38.39 2khj h PHE 2 CO 0.00 0.27 0.66 -0.97 -2.23 0.00 0.00 178.31 176.04 2khj h ASN 3 N 0.72 0.31 0.01 0.41 -0.00 -1.97 -0.73 115.58 114.32 2khj h ASN 3 Ca 0.51 0.04 -0.00 0.00 -0.00 0.00 0.00 56.30 56.86 2khj h ASN 3 Cb 0.84 -0.01 0.00 0.00 -0.00 0.00 0.00 38.32 39.16 2khj h ASN 3 CO -0.28 0.09 -0.01 0.78 -0.00 0.00 0.00 177.43 178.01 2khj h ASN 4 N 0.29 -0.02 -0.61 1.15 4.21 -1.91 -3.42 115.58 115.27 2khj h ASN 4 Ca 0.52 -0.71 0.10 0.00 1.21 0.00 0.00 56.30 57.41 2khj h ASN 4 Cb 1.50 0.00 -0.04 0.00 -1.12 0.00 0.00 38.32 38.67 2khj h ASN 4 CO -0.17 0.82 0.41 -0.25 -1.29 0.00 0.00 177.43 176.95 2khj h TRP 5 N -0.96 0.47 -1.00 1.19 7.01 -1.33 -3.30 115.95 118.03 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 0.72 -0.15 -0.05 0.00 -2.10 0.00 0.00 29.16 27.58 2khj h TRP 5 CO 0.20 0.22 0.70 -0.24 -2.79 0.00 0.00 178.44 176.53 2khj h VAL 6 N 0.44 0.52 -0.21 2.65 3.04 -1.44 0.41 116.25 121.67 2khj h VAL 6 Ca 0.28 -0.04 -0.17 0.00 -1.01 0.00 0.00 66.70 65.77 2khj h VAL 6 Cb 0.53 0.40 -0.00 0.00 -2.01 0.00 0.00 31.29 30.20 2khj h VAL 6 CO -0.08 0.02 -0.55 0.00 -1.01 0.00 0.00 177.57 175.95 2khj h ALA 7 N 1.53 0.64 0.04 3.17 0.00 -1.87 -3.38 119.26 119.40 2khj h ALA 7 Ca 0.50 -0.51 -0.38 0.00 0.00 0.00 0.00 54.91 54.51 2khj h ALA 7 Cb 1.76 -0.08 -0.05 0.00 0.00 0.00 0.00 17.79 19.42 2khj h ALA 7 CO -0.07 0.69 -2.28 -0.11 0.00 0.00 0.00 179.25 177.47 2khj n LEU 8 N -3.97 2.63 -4.73 0.00 7.94 0.04 -5.05 117.00 113.86 2khj n LEU 8 Ca -0.03 0.01 -0.35 0.00 -1.11 0.00 0.00 56.01 54.52 2khj n LEU 8 Cb 0.61 -0.87 -0.08 0.00 0.53 0.00 0.00 43.42 43.61 2khj n LEU 8 CO 0.48 0.87 -0.27 0.21 -1.11 0.00 0.00 177.39 177.56 2khj s ASN 9 N -6.63 5.51 0.16 1.96 2.47 0.12 -5.13 114.94 113.40 2khj s ASN 9 Ca -0.28 0.20 0.05 0.00 0.42 0.00 0.00 52.86 53.25 2khj s ASN 9 Cb 0.08 -1.60 -0.04 0.00 -1.45 0.00 0.00 41.25 38.24 2khj s ASN 9 CO 0.68 0.37 0.13 -0.54 -3.72 0.00 0.00 177.10 174.02 2khj s LYS 10 N -1.06 2.90 0.37 0.43 -0.14 -1.26 -4.57 119.74 116.40 2khj s LYS 10 Ca 0.15 -0.86 -0.26 0.00 -1.36 0.00 0.00 55.97 53.65 2khj s LYS 10 Cb -0.12 -2.65 -0.09 0.00 -1.68 0.00 0.00 37.83 33.29 2khj s LYS 10 CO 0.05 0.49 1.09 0.15 -0.76 0.00 0.00 175.35 176.36 2khj s LYS 11 N -3.07 4.26 0.00 1.68 1.02 -1.26 -3.95 119.74 118.43 2khj s LYS 11 Ca 0.31 1.66 0.00 0.00 0.02 0.00 0.00 55.97 57.96 2khj s LYS 11 Cb -0.10 -2.74 0.00 0.00 -0.52 0.00 0.00 37.83 34.47 2khj s LYS 11 CO 0.23 -0.09 0.00 0.41 -0.92 0.00 0.00 175.35 174.98 2khj n GLY 12 N 0.64 0.44 3.97 -3.33 0.00 0.20 -5.00 105.19 102.11 2khj n GLY 12 Ca 0.03 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 4.03 -0.08 4.61 0.00 -1.25 -4.87 121.76 122.19 2khj s ALA 13 Ca 0.00 -1.29 0.02 0.00 0.00 0.00 0.00 51.96 50.70 2khj s ALA 13 Cb 0.00 -1.88 -0.02 0.00 0.00 0.00 0.00 23.12 21.22 2khj s ALA 13 CO 0.00 -0.19 -0.15 0.96 0.00 0.00 0.00 175.76 176.38 2khj s ILE 14 N -2.34 2.93 0.03 0.00 -4.36 -1.26 0.19 121.20 116.39 2khj s ILE 14 Ca 0.46 -0.74 0.04 0.00 -0.26 0.00 0.00 60.65 60.15 2khj s ILE 14 Cb -0.10 -2.17 -0.02 0.00 1.25 0.00 0.00 42.46 41.42 2khj s ILE 14 CO 0.34 0.56 -0.12 -0.69 0.24 0.00 0.00 174.94 175.27 2khj s VAL 15 N -0.23 0.94 -0.19 8.37 1.01 -0.24 -4.91 120.40 125.15 2khj s VAL 15 Ca 0.01 -0.85 -0.07 0.00 0.00 0.00 0.00 61.98 61.07 2khj s VAL 15 Cb -0.13 -0.85 -0.04 0.00 0.00 0.00 0.00 36.38 35.36 2khj s VAL 15 CO 0.03 0.01 0.05 0.28 0.00 0.00 0.00 175.10 175.47 2khj s THR 16 N -0.75 4.60 0.15 3.92 -1.32 -1.26 -0.87 115.64 120.11 2khj s THR 16 Ca 0.01 -0.10 -0.07 0.00 -1.21 0.00 0.00 61.69 60.32 2khj s THR 16 Cb -0.07 -3.08 -0.01 0.00 -1.51 0.00 0.00 72.50 67.82 2khj s THR 16 CO 0.01 0.44 0.23 -0.83 -2.21 0.00 0.00 174.62 172.25 2khj s GLY 17 N 0.63 0.53 -0.14 6.08 0.00 -0.16 -4.93 107.32 109.33 2khj s GLY 17 Ca 0.03 -0.97 -0.03 0.00 0.00 0.00 0.00 44.72 43.75 2khj s GLY 17 CO 0.02 -0.94 -0.05 -1.59 0.00 0.00 0.00 173.10 170.53 2khj s LYS 18 N -3.97 3.49 0.13 2.90 -2.85 -1.17 -1.38 119.74 116.89 2khj s LYS 18 Ca 0.17 -0.54 -0.31 0.00 -1.00 0.00 0.00 55.97 54.29 2khj s LYS 18 Cb 0.04 -2.83 -0.09 0.00 -2.06 0.00 0.00 37.83 32.89 2khj s LYS 18 CO -0.01 0.31 1.53 0.54 0.10 0.00 0.00 175.35 177.82 2khj s VAL 19 N 0.16 2.93 0.00 1.79 0.11 -0.22 0.29 120.40 125.47 2khj s VAL 19 Ca -0.02 0.61 0.00 0.00 -2.93 0.00 0.00 61.98 59.64 2khj s VAL 19 Cb -0.14 -3.39 0.00 0.00 -1.53 0.00 0.00 36.38 31.32 2khj s VAL 19 CO 0.03 0.04 0.00 0.41 -3.33 0.00 0.00 175.10 172.25 2khj n THR 20 N 4.14 0.00 -3.56 5.04 -1.04 -0.63 0.61 114.28 118.84 2khj n THR 20 Ca 0.14 0.00 -0.14 0.00 -2.04 0.00 0.00 64.05 62.00 2khj n THR 20 Cb 0.40 -0.18 -0.05 0.00 -1.82 0.00 0.00 70.33 68.68 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 -1.33 -1.40 0.07 2.41 0.00 -1.19 -4.98 121.76 115.35 2khj s ALA 21 Ca 0.00 0.67 0.08 0.00 0.00 0.00 0.00 51.96 52.71 2khj s ALA 21 Cb 0.00 0.38 -0.04 0.00 0.00 0.00 0.00 23.12 23.46 2khj s ALA 21 CO 0.00 -0.51 -0.19 0.14 0.00 0.00 0.00 175.76 175.21 2khj s VAL 22 N -2.39 2.77 0.40 0.00 -7.23 -1.26 -0.72 120.40 111.97 2khj s VAL 22 Ca -0.06 -1.34 0.08 0.00 -1.81 0.00 0.00 61.98 58.85 2khj s VAL 22 Cb -0.01 -2.21 -0.02 0.00 0.56 0.00 0.00 36.38 34.71 2khj s VAL 22 CO -0.01 0.24 0.38 -1.81 -0.31 0.00 0.00 175.10 173.58 2khj s ASP 23 N -1.73 5.18 0.25 4.85 1.01 -0.03 -4.94 116.67 121.26 2khj s ASP 23 Ca 0.16 -0.65 -0.03 0.00 0.71 0.00 0.00 52.55 52.74 2khj s ASP 23 Cb -0.10 -0.68 0.46 0.00 1.01 0.00 0.00 42.92 43.60 2khj s ASP 23 CO 0.07 -0.59 1.77 0.00 0.21 0.00 0.00 175.17 176.63 2khj h ALA 24 N 1.04 1.17 -0.05 5.23 0.00 -2.02 -1.43 119.26 123.20 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 1.26 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 19.03 2khj h ALA 24 CO 0.56 -0.06 0.00 0.36 0.00 0.00 0.00 179.25 180.11 2khj n LYS 25 N -4.86 1.28 -4.44 0.00 2.85 -1.26 -5.08 118.16 106.65 2khj n LYS 25 Ca 0.15 -1.49 -0.22 0.00 -1.05 0.00 0.00 58.31 55.70 2khj n LYS 25 Cb 0.37 -1.30 -0.10 0.00 -0.65 0.00 0.00 35.03 33.35 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 -1.28 1.81 0.00 2.58 0.00 -0.54 -4.42 107.32 105.47 2khj s GLY 26 Ca 0.19 -1.87 -0.02 0.00 0.00 0.00 0.00 44.72 43.02 2khj s GLY 26 CO 0.20 -1.88 0.03 0.00 0.00 0.00 0.00 173.10 171.45 2khj s ALA 27 N -2.85 -0.04 -0.14 3.20 0.00 -0.24 -0.85 121.76 120.83 2khj s ALA 27 Ca 0.28 -0.20 -0.03 0.00 0.00 0.00 0.00 51.96 52.02 2khj s ALA 27 Cb 0.01 0.04 -0.02 0.00 0.00 0.00 0.00 23.12 23.15 2khj s ALA 27 CO 0.12 -0.10 -0.06 0.95 0.00 0.00 0.00 175.76 176.67 2khj s THR 28 N -0.77 3.67 -0.16 0.00 -4.23 0.10 -0.55 115.64 113.70 2khj s THR 28 Ca -0.08 -0.44 -0.07 0.00 -1.18 0.00 0.00 61.69 59.91 2khj s THR 28 Cb -0.05 -2.59 -0.04 0.00 1.34 0.00 0.00 72.50 71.16 2khj s THR 28 CO -0.00 0.51 0.09 0.54 -0.54 0.00 0.00 174.62 175.21 2khj s VAL 29 N 0.30 5.04 -0.22 2.29 0.11 -1.02 -1.61 120.40 125.30 2khj s VAL 29 Ca -0.05 0.05 -0.25 0.00 -2.93 0.00 0.00 61.98 58.79 2khj s VAL 29 Cb -0.14 -3.25 -0.01 0.00 -1.53 0.00 0.00 36.38 31.45 2khj s VAL 29 CO 0.04 0.50 0.86 -0.70 -3.33 0.00 0.00 175.10 172.47 2khj s GLU 30 N -0.04 4.23 -0.00 1.54 2.12 0.15 -0.89 118.70 125.81 2khj s GLU 30 Ca 0.08 1.02 0.05 0.00 0.36 0.00 0.00 54.97 56.48 2khj s GLU 30 Cb -0.12 -3.62 -0.05 0.00 0.26 0.00 0.00 34.13 30.60 2khj s GLU 30 CO 0.01 -0.47 0.20 -0.11 -0.54 0.00 0.00 175.26 174.34 2khj n LEU 31 N 5.78 0.22 0.00 2.70 -0.00 -1.23 -3.02 117.00 121.45 2khj n LEU 31 Ca 0.06 -0.49 0.00 0.00 -0.00 0.00 0.00 56.01 55.58 2khj n LEU 31 Cb 0.48 0.00 0.00 0.00 -0.00 0.00 0.00 43.42 43.90 2khj n LEU 31 CO 0.48 0.05 0.00 0.00 -0.00 0.00 0.00 177.39 177.93 2khj n ALA 32 N -1.12 0.00 -0.90 1.96 0.00 -1.21 -4.59 120.51 114.65 2khj n ALA 32 Ca 0.01 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.45 2khj n ALA 32 Cb 0.07 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.52 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 -1.66 -2.17 0.00 0.00 2.03 -1.26 0.37 116.55 113.86 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 -0.36 0.00 0.00 -0.72 0.00 0.00 41.12 40.04 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 -2.72 0.80 3.88 0.27 0.00 -1.26 -4.76 105.19 101.40 2khj n GLY 34 Ca 0.00 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.67 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 -2.14 5.42 0.18 1.61 1.01 -1.24 -5.08 120.40 120.15 2khj s VAL 35 Ca 0.00 -0.00 0.09 0.00 0.00 0.00 0.00 61.98 62.06 2khj s VAL 35 Cb 0.00 -3.45 -0.04 0.00 0.00 0.00 0.00 36.38 32.89 2khj s VAL 35 CO 0.00 0.47 -0.08 -1.61 0.00 0.00 0.00 175.10 173.88 2khj s GLU 36 N -1.50 2.12 0.00 2.72 2.02 -1.26 -3.33 118.70 119.47 2khj s GLU 36 Ca 0.21 -1.24 0.00 0.00 0.02 0.00 0.00 54.97 53.97 2khj s GLU 36 Cb -0.12 -2.19 0.00 0.00 0.10 0.00 0.00 34.13 31.91 2khj s GLU 36 CO 0.12 0.44 0.00 0.41 0.02 0.00 0.00 175.26 176.24 2khj n GLY 37 N 0.02 2.06 3.69 -1.39 0.00 -0.07 -4.59 105.19 104.93 2khj n GLY 37 Ca -0.11 -2.07 -0.35 0.00 0.00 0.00 0.00 46.02 43.49 2khj n GLY 37 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 2khj s TYR 38 N 1.58 3.21 -0.04 1.61 5.04 -1.17 -2.42 117.35 125.17 2khj s TYR 38 Ca 0.00 0.19 0.02 0.00 -2.44 0.00 0.00 57.07 54.83 2khj s TYR 38 Cb 0.00 -1.85 0.01 0.00 0.35 0.00 0.00 41.96 40.48 2khj s TYR 38 CO 0.00 0.43 -0.07 -1.17 -1.34 0.00 0.00 175.55 173.41 2khj s LEU 39 N -0.68 1.55 0.51 6.97 1.98 0.29 -3.35 118.68 125.94 2khj s LEU 39 Ca 0.11 -0.16 -0.13 0.00 -2.89 0.00 0.00 54.13 51.06 2khj s LEU 39 Cb -0.12 -0.51 -0.06 0.00 0.66 0.00 0.00 46.19 46.16 2khj s LEU 39 CO 0.02 0.00 0.93 -0.13 -1.89 0.00 0.00 176.35 175.28 2khj s ARG 40 N 0.60 3.81 0.59 1.98 0.52 -1.26 -1.08 118.95 124.11 2khj s ARG 40 Ca -0.09 0.74 0.29 0.00 -0.52 0.00 0.00 55.73 56.15 2khj s ARG 40 Cb -0.12 -2.20 1.48 0.00 0.52 0.00 0.00 34.95 34.63 2khj s ARG 40 CO 0.01 -0.27 1.90 0.00 0.02 0.00 0.00 175.30 176.95 2khj h ALA 41 N 0.70 2.11 -0.07 2.13 0.00 -1.89 -0.81 119.26 121.43 2khj h ALA 41 Ca -0.46 -0.01 -0.14 0.00 0.00 0.00 0.00 54.91 54.29 2khj h ALA 41 Cb 1.19 0.03 -0.01 0.00 0.00 0.00 0.00 17.79 19.00 2khj h ALA 41 CO 0.62 -0.69 -0.58 0.66 0.00 0.00 0.00 179.25 179.27 2khj h SER 42 N 0.00 0.24 0.00 0.00 4.64 -1.81 -3.48 113.55 113.13 2khj h SER 42 Ca 0.20 -0.13 0.00 0.00 -0.47 0.00 0.00 61.79 61.39 2khj h SER 42 Cb 1.14 -0.07 0.00 0.00 -0.31 0.00 0.00 62.40 63.16 2khj h SER 42 CO -0.00 0.76 0.00 -0.62 -0.87 0.00 0.00 176.83 176.10 2khj n GLU 43 N -3.89 0.00 -2.78 4.77 1.02 -0.31 -2.79 120.64 116.66 2khj n GLU 43 Ca -0.02 0.00 -0.09 0.00 -0.02 0.00 0.00 57.16 57.03 2khj n GLU 43 Cb 0.60 0.00 0.04 0.00 -0.02 0.00 0.00 31.44 32.06 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 0.01 -1.06 -1.85 0.62 0.00 -1.26 -4.83 120.51 112.15 2khj n ALA 44 Ca 0.00 -1.57 0.00 0.00 0.00 0.00 0.00 53.44 51.87 2khj n ALA 44 Cb 0.00 -1.28 0.00 0.00 0.00 0.00 0.00 19.45 18.17 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 1.52 0.00 0.01 0.00 3.41 -1.12 -4.32 113.62 113.12 2khj n SER 45 Ca 0.10 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.71 2khj n SER 45 Cb 0.63 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.58 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 0.00 0.00 -1.55 4.33 0.63 -1.26 -4.85 116.66 113.96 2khj n ARG 46 Ca 0.00 0.00 -0.29 0.00 -0.92 0.00 0.00 57.85 56.64 2khj n ARG 46 Cb 0.00 0.00 -0.05 0.00 0.45 0.00 0.00 32.46 32.86 2khj n ARG 46 CO 0.00 0.00 0.00 -0.25 -2.51 0.00 0.00 177.63 174.87 2khj n ASP 47 N -2.44 6.69 0.00 6.15 8.00 -1.26 -4.95 116.55 128.73 2khj n ASP 47 Ca 0.00 -3.16 0.00 0.00 0.71 0.00 0.00 54.79 52.34 2khj n ASP 47 Cb 0.00 -1.26 0.00 0.00 -0.02 0.00 0.00 41.12 39.84 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 1.10 0.00 -0.02 -1.24 5.12 -1.26 -3.99 116.66 116.38 2khj n ARG 48 Ca 0.51 0.00 -0.00 0.00 -1.93 0.00 0.00 57.85 56.43 2khj n ARG 48 Cb 0.52 0.00 -0.00 0.00 -1.16 0.00 0.00 32.46 31.82 2khj n ARG 48 CO 0.00 0.00 0.00 -0.24 -1.93 0.00 0.00 177.63 175.46 2khj h VAL 49 N 0.00 0.00 -3.31 1.55 3.04 -1.92 -3.42 116.25 112.18 2khj h VAL 49 Ca 0.00 -0.30 -0.67 0.00 -1.01 0.00 0.00 66.70 64.72 2khj h VAL 49 Cb 0.00 0.00 -0.30 0.00 -2.01 0.00 0.00 31.29 28.98 2khj h VAL 49 CO 0.00 0.00 -0.82 -1.61 -1.01 0.00 0.00 177.57 174.13 2khj s GLU 50 N -1.20 3.21 0.00 4.17 2.02 -1.26 -4.60 118.70 121.05 2khj s GLU 50 Ca -0.01 -0.78 0.00 0.00 0.02 0.00 0.00 54.97 54.21 2khj s GLU 50 Cb 0.00 -2.50 0.00 0.00 0.10 0.00 0.00 34.13 31.73 2khj s GLU 50 CO 0.01 0.15 0.00 -3.47 0.02 0.00 0.00 175.26 171.98 2khj n ASP 51 N 3.65 0.00 0.03 -0.19 2.03 -1.26 -4.57 116.55 116.23 2khj n ASP 51 Ca -0.19 0.00 0.01 0.00 0.52 0.00 0.00 54.79 55.14 2khj n ASP 51 Cb 0.53 0.00 0.07 0.00 -0.72 0.00 0.00 41.12 40.99 2khj n ASP 51 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 2khj n ALA 52 N -3.00 0.73 0.26 -1.67 0.00 -1.26 -4.39 120.51 111.17 2khj n ALA 52 Ca 0.00 0.02 0.15 0.00 0.00 0.00 0.00 53.44 53.62 2khj n ALA 52 Cb 0.00 -0.76 0.86 0.00 0.00 0.00 0.00 19.45 19.56 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 0.55 0.00 0.00 2.02 -1.86 0.45 112.91 114.07 2khj h THR 53 Ca 0.00 0.00 -0.01 0.00 0.77 0.00 0.00 66.41 67.17 2khj h THR 53 Cb 0.30 0.94 -0.00 0.00 -1.74 0.00 0.00 68.15 67.65 2khj h THR 53 CO 0.00 0.00 -0.06 0.25 0.37 0.00 0.00 175.52 176.08 2khj h LEU 54 N 0.00 0.00 -3.07 2.58 7.12 -1.97 -3.31 115.31 116.65 2khj h LEU 54 Ca 0.03 0.00 0.00 0.00 0.13 0.00 0.00 57.88 58.04 2khj h LEU 54 Cb 0.17 0.00 0.00 0.00 -0.53 0.00 0.00 40.66 40.30 2khj h LEU 54 CO -0.00 0.06 0.00 0.55 -0.13 0.00 0.00 178.44 178.92 2khj n VAL 55 N -3.13 1.86 -4.35 1.05 3.14 0.15 -4.92 118.33 112.13 2khj n VAL 55 Ca 0.03 -1.92 -0.21 0.00 -2.96 0.00 0.00 64.34 59.27 2khj n VAL 55 Cb 0.48 -0.11 -0.16 0.00 -1.06 0.00 0.00 33.84 32.99 2khj n VAL 55 CO 0.00 0.00 0.00 -1.48 -6.46 0.00 0.00 176.83 168.89 2khj s LEU 56 N -2.53 1.60 0.30 6.55 0.05 -0.78 -5.08 118.68 118.79 2khj s LEU 56 Ca 0.31 -0.19 0.09 0.00 0.05 0.00 0.00 54.13 54.39 2khj s LEU 56 Cb 0.26 -0.57 -0.04 0.00 -2.05 0.00 0.00 46.19 43.79 2khj s LEU 56 CO 0.05 0.02 0.10 -0.94 -0.55 0.00 0.00 176.35 175.03 2khj s SER 57 N 0.55 4.75 -0.18 1.48 1.04 -1.26 -4.87 113.70 115.21 2khj s SER 57 Ca -0.09 -0.66 -0.40 0.00 0.48 0.00 0.00 55.95 55.28 2khj s SER 57 Cb -0.12 -0.85 -0.17 0.00 0.10 0.00 0.00 66.02 64.98 2khj s SER 57 CO 0.01 -0.17 1.56 0.55 0.98 0.00 0.00 173.24 176.17 2khj n VAL 58 N -1.07 0.16 -0.12 5.02 3.14 -1.26 -1.96 118.33 122.24 2khj n VAL 58 Ca -0.05 -0.03 0.00 0.00 -2.96 0.00 0.00 64.34 61.31 2khj n VAL 58 Cb 0.60 -0.92 0.00 0.00 -1.06 0.00 0.00 33.84 32.46 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 3.48 0.58 3.72 7.55 0.00 0.20 -4.95 105.19 115.77 2khj n GLY 59 Ca 0.24 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.86 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 -2.77 7.10 0.08 1.61 2.15 -0.83 -4.66 116.67 119.35 2khj s ASP 60 Ca 0.00 1.33 0.03 0.00 0.43 0.00 0.00 52.55 54.34 2khj s ASP 60 Cb 0.00 -2.46 -0.04 0.00 -0.30 0.00 0.00 42.92 40.12 2khj s ASP 60 CO 0.00 -0.13 0.08 -1.83 -0.17 0.00 0.00 175.17 173.12 2khj s GLU 61 N 0.75 2.91 0.08 4.34 -1.05 -1.26 -1.05 118.70 123.42 2khj s GLU 61 Ca 0.41 -0.67 0.01 0.00 -0.15 0.00 0.00 54.97 54.57 2khj s GLU 61 Cb -0.19 -2.75 -0.04 0.00 -0.44 0.00 0.00 34.13 30.72 2khj s GLU 61 CO 0.21 0.57 -0.06 0.54 0.95 0.00 0.00 175.26 177.47 2khj s VAL 62 N -1.39 0.55 -0.24 1.83 0.11 -0.48 -4.92 120.40 115.87 2khj s VAL 62 Ca 0.29 -1.80 -0.15 0.00 -2.93 0.00 0.00 61.98 57.39 2khj s VAL 62 Cb -0.12 -1.51 -0.04 0.00 -1.53 0.00 0.00 36.38 33.18 2khj s VAL 62 CO 0.22 -0.85 0.38 -1.83 -3.33 0.00 0.00 175.10 169.69 2khj s GLU 63 N -3.58 4.09 0.30 1.54 -1.05 -1.26 -0.99 118.70 117.74 2khj s GLU 63 Ca 0.08 0.11 0.03 0.00 -0.15 0.00 0.00 54.97 55.04 2khj s GLU 63 Cb 0.04 -3.60 -0.06 0.00 -0.44 0.00 0.00 34.13 30.07 2khj s GLU 63 CO -0.05 -0.17 0.07 0.00 0.95 0.00 0.00 175.26 176.05 2khj s ALA 64 N 1.73 2.13 -0.13 -0.84 0.00 -0.05 -3.24 121.76 121.35 2khj s ALA 64 Ca 0.17 -1.98 -0.09 0.00 0.00 0.00 0.00 51.96 50.05 2khj s ALA 64 Cb -0.15 0.77 -0.04 0.00 0.00 0.00 0.00 23.12 23.69 2khj s ALA 64 CO 0.09 -0.35 0.18 0.21 0.00 0.00 0.00 175.76 175.88 2khj s LYS 65 N -3.93 3.76 -0.52 0.00 2.47 0.66 -1.08 119.74 121.11 2khj s LYS 65 Ca 0.36 -0.08 -0.18 0.00 -1.56 0.00 0.00 55.97 54.51 2khj s LYS 65 Cb 0.08 -3.28 0.08 0.00 -1.46 0.00 0.00 37.83 33.25 2khj s LYS 65 CO 0.15 0.59 0.57 0.12 0.16 0.00 0.00 175.35 176.93 2khj s PHE 66 N -0.52 3.11 -0.12 4.03 2.19 0.13 -2.18 117.98 124.63 2khj s PHE 66 Ca 0.14 -0.81 -0.10 0.00 0.33 0.00 0.00 56.93 56.49 2khj s PHE 66 Cb -0.12 -3.56 -0.05 0.00 -1.31 0.00 0.00 43.02 37.97 2khj s PHE 66 CO 0.03 -1.02 -0.22 -2.37 1.83 0.00 0.00 175.22 173.47 2khj n THR 67 N 5.45 1.22 -3.92 0.12 5.66 -1.04 0.59 114.28 122.35 2khj n THR 67 Ca -0.10 0.03 -0.10 0.00 -3.05 0.00 0.00 64.05 60.84 2khj n THR 67 Cb 0.44 -1.93 -0.06 0.00 -1.55 0.00 0.00 70.33 67.22 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 -4.89 0.38 0.01 1.09 0.00 -1.22 -4.66 107.32 98.04 2khj s GLY 68 Ca -0.21 -0.77 0.07 0.00 0.00 0.00 0.00 44.72 43.80 2khj s GLY 68 CO 0.29 -0.74 -0.21 0.54 0.00 0.00 0.00 173.10 172.98 2khj s VAL 69 N -3.95 1.64 -0.15 1.40 0.11 -1.26 -0.58 120.40 117.61 2khj s VAL 69 Ca 0.16 -1.03 -0.18 0.00 -2.93 0.00 0.00 61.98 58.00 2khj s VAL 69 Cb 0.03 -1.39 -0.04 0.00 -1.53 0.00 0.00 36.38 33.44 2khj s VAL 69 CO -0.01 0.34 0.47 -1.81 -3.33 0.00 0.00 175.10 170.76 2khj s ASP 70 N -0.81 6.61 0.53 3.54 1.01 0.25 -4.97 116.67 122.84 2khj s ASP 70 Ca 0.08 0.73 0.32 0.00 0.71 0.00 0.00 52.55 54.39 2khj s ASP 70 Cb -0.08 -2.27 1.27 0.00 1.01 0.00 0.00 42.92 42.85 2khj s ASP 70 CO 0.00 -0.04 1.95 0.08 0.21 0.00 0.00 175.17 177.37 2khj h ARG 71 N 6.96 0.00 -0.26 8.23 -0.00 -1.97 -1.95 114.38 125.38 2khj h ARG 71 Ca -0.39 0.00 -0.18 0.00 -0.00 0.00 0.00 59.98 59.41 2khj h ARG 71 Cb 1.17 0.00 0.00 0.00 -0.00 0.00 0.00 29.97 31.14 2khj h ARG 71 CO 0.75 0.03 -0.53 -0.22 -0.00 0.00 0.00 179.97 180.00 2khj h LYS 72 N 0.00 0.83 0.00 0.08 1.63 -1.95 -3.33 116.57 113.83 2khj h LYS 72 Ca -0.00 -0.54 0.00 0.00 -0.85 0.00 0.00 60.65 59.26 2khj h LYS 72 Cb 0.56 0.07 0.00 0.00 -0.60 0.00 0.00 32.23 32.26 2khj h LYS 72 CO 0.00 1.17 -0.93 -1.71 -3.45 0.00 0.00 179.45 174.53 2khj n ASN 73 N -4.05 0.98 -3.05 4.20 4.05 -1.24 -5.01 115.26 111.14 2khj n ASN 73 Ca -0.05 -0.58 -0.16 0.00 0.45 0.00 0.00 54.58 54.24 2khj n ASN 73 Cb 0.62 1.19 0.07 0.00 1.23 0.00 0.00 39.78 42.89 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 -1.51 -5.94 -4.24 1.20 5.12 -0.74 -5.04 116.66 105.51 2khj n ARG 74 Ca 0.01 0.70 -0.13 0.00 -1.93 0.00 0.00 57.85 56.50 2khj n ARG 74 Cb 0.26 -5.32 -0.10 0.00 -1.16 0.00 0.00 32.46 26.14 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 -3.29 1.34 -0.02 7.54 0.00 -1.17 -3.88 121.76 122.29 2khj s ALA 75 Ca 0.18 -1.54 -0.12 0.00 0.00 0.00 0.00 51.96 50.48 2khj s ALA 75 Cb -0.08 0.35 -0.05 0.00 0.00 0.00 0.00 23.12 23.34 2khj s ALA 75 CO 0.61 -0.25 0.34 0.96 0.00 0.00 0.00 175.76 177.42 2khj s ILE 76 N -3.56 5.17 -0.14 0.00 -4.36 -1.26 -0.58 121.20 116.47 2khj s ILE 76 Ca 0.20 0.60 -0.02 0.00 -0.26 0.00 0.00 60.65 61.18 2khj s ILE 76 Cb 0.05 -3.62 -0.02 0.00 1.25 0.00 0.00 42.46 40.12 2khj s ILE 76 CO 0.02 0.54 -0.09 -0.44 0.24 0.00 0.00 174.94 175.21 2khj s SER 77 N -1.19 4.40 0.04 4.36 0.01 0.26 -3.04 113.70 118.53 2khj s SER 77 Ca 0.23 -0.22 0.06 0.00 1.31 0.00 0.00 55.95 57.33 2khj s SER 77 Cb -0.15 -1.64 -0.02 0.00 0.21 0.00 0.00 66.02 64.41 2khj s SER 77 CO 0.12 0.18 -0.18 -0.76 0.41 0.00 0.00 173.24 173.02 2khj s LEU 78 N 0.26 2.16 -0.22 2.44 1.43 -1.21 -2.50 118.68 121.04 2khj s LEU 78 Ca -0.06 -0.48 -0.06 0.00 -1.03 0.00 0.00 54.13 52.49 2khj s LEU 78 Cb -0.15 -0.80 -0.03 0.00 0.03 0.00 0.00 46.19 45.24 2khj s LEU 78 CO 0.04 0.10 0.04 -0.55 0.23 0.00 0.00 176.35 176.22 2khj s SER 79 N -1.13 5.10 0.51 2.29 0.15 -0.92 -4.01 113.70 115.68 2khj s SER 79 Ca 0.05 -0.16 0.16 0.00 0.70 0.00 0.00 55.95 56.70 2khj s SER 79 Cb -0.08 -1.89 0.86 0.00 -1.71 0.00 0.00 66.02 63.20 2khj s SER 79 CO 0.01 0.03 1.42 -0.37 1.20 0.00 0.00 173.24 175.54 2khj h VAL 80 N 5.38 0.00 0.18 4.45 -1.51 -1.87 0.19 116.25 123.07 2khj h VAL 80 Ca -0.37 0.00 -0.27 0.00 -1.23 0.00 0.00 66.70 64.83 2khj h VAL 80 Cb 1.18 0.35 0.02 0.00 -2.13 0.00 0.00 31.29 30.71 2khj h VAL 80 CO 0.61 0.00 -1.25 0.03 -1.23 0.00 0.00 177.57 175.73 2khj h ARG 81 N 0.00 0.39 0.00 5.19 2.47 -1.90 -3.36 114.38 117.17 2khj h ARG 81 Ca 0.00 -0.67 0.00 0.00 -1.26 0.00 0.00 59.98 58.05 2khj h ARG 81 Cb 0.95 0.25 0.00 0.00 -1.65 0.00 0.00 29.97 29.52 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 -2.76 0.00 -2.12 0.04 0.00 -1.20 -4.79 120.51 109.69 2khj n ALA 82 Ca -0.18 0.00 -0.08 0.00 0.00 0.00 0.00 53.44 53.18 2khj n ALA 82 Cb 0.96 -0.03 -0.10 0.00 0.00 0.00 0.00 19.45 20.28 2khj n ALA 82 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 177.50 175.91 2khj s LYS 83 N -0.58 0.71 0.62 0.00 -2.85 -1.26 -4.82 119.74 111.57 2khj s LYS 83 Ca 0.00 -1.28 -0.09 0.00 -1.00 0.00 0.00 55.97 53.60 2khj s LYS 83 Cb 0.00 0.13 -0.01 0.00 -2.06 0.00 0.00 37.83 35.89 2khj s LYS 83 CO 0.00 -0.12 0.98 -0.51 0.10 0.00 0.00 175.35 175.80 2khj s ASP 84 N -2.97 5.76 0.00 0.03 1.01 -1.26 -4.87 116.67 114.37 2khj s ASP 84 Ca 0.11 1.03 0.00 0.00 0.71 0.00 0.00 52.55 54.40 2khj s ASP 84 Cb 0.07 -2.01 0.00 0.00 1.01 0.00 0.00 42.92 41.99 2khj s ASP 84 CO -0.07 -1.05 0.00 -0.62 0.21 0.00 0.00 175.17 173.64 2khj n GLU 85 N -2.72 2.71 -0.34 8.23 1.02 -0.64 -4.96 120.64 123.95 2khj n GLU 85 Ca 0.05 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.19 2khj n GLU 85 Cb 0.56 0.00 0.00 0.00 -0.02 0.00 0.00 31.44 31.98 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 -3.00 1.67 -1.68 0.62 0.00 -1.26 -4.71 120.51 112.16 2khj n ALA 86 Ca 0.00 -0.73 0.00 0.00 0.00 0.00 0.00 53.44 52.71 2khj n ALA 86 Cb 0.00 -0.29 0.00 0.00 0.00 0.00 0.00 19.45 19.16 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 0.00 0.00 0.00 0.00 2.03 -1.26 -5.08 116.55 112.24 2khj n ASP 87 Ca 0.00 -1.34 0.00 0.00 0.52 0.00 0.00 54.79 53.97 2khj n ASP 87 Cb 0.62 -0.07 0.00 0.00 -0.72 0.00 0.00 41.12 40.95 2khj n ASP 87 CO 0.00 0.00 0.00 1.21 -1.92 0.00 0.00 177.20 176.49 2khj n GLU 88 N 0.00 0.00 0.00 -0.67 2.13 -1.26 -5.28 120.64 115.56 2khj n GLU 88 Ca 0.00 0.00 0.00 0.00 0.66 0.00 0.00 57.16 57.82 2khj n GLU 88 Cb 0.57 0.00 0.00 0.00 0.27 0.00 0.00 31.44 32.28 2khj n GLU 88 CO 0.00 0.00 0.00 1.63 -0.41 0.00 0.00 177.13 178.35