#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 -1.05 3.17 3.04 -1.85 -3.27 116.94 116.97 2khj h PHE 2 Ca 0.00 0.00 0.28 0.00 3.98 0.00 0.00 57.97 62.23 2khj h PHE 2 Cb 0.00 0.00 -0.08 0.00 2.56 0.00 0.00 35.95 38.43 2khj h PHE 2 CO 0.00 0.00 0.71 -0.97 -2.02 0.00 0.00 178.31 176.03 2khj h ASN 3 N 0.00 0.30 0.52 0.41 -0.00 -1.99 0.22 115.58 115.04 2khj h ASN 3 Ca 0.42 0.05 -0.23 0.00 -0.00 0.00 0.00 56.30 56.55 2khj h ASN 3 Cb 1.81 0.01 -0.00 0.00 -0.00 0.00 0.00 38.32 40.14 2khj h ASN 3 CO -0.00 0.06 -1.01 -1.13 -0.00 0.00 0.00 177.43 175.35 2khj h ASN 4 N 0.26 0.40 0.35 1.15 -0.00 -1.93 -3.40 115.58 112.41 2khj h ASN 4 Ca 0.57 -0.35 -0.17 0.00 -0.00 0.00 0.00 56.30 56.35 2khj h ASN 4 Cb 1.69 -0.12 -0.01 0.00 -0.00 0.00 0.00 38.32 39.88 2khj h ASN 4 CO -0.20 1.19 -0.69 -0.25 -0.00 0.00 0.00 177.43 177.48 2khj h TRP 5 N 0.14 0.40 -0.95 0.67 7.01 -0.76 -3.38 115.95 119.10 2khj h TRP 5 Ca -0.08 -0.17 0.26 0.00 2.11 0.00 0.00 58.89 61.01 2khj h TRP 5 Cb 1.67 -0.06 -0.05 0.00 -2.10 0.00 0.00 29.16 28.62 2khj h TRP 5 CO 0.05 0.90 0.67 0.28 -2.79 0.00 0.00 178.44 177.54 2khj h VAL 6 N 0.21 0.55 -0.08 2.65 2.07 -1.54 0.83 116.25 120.93 2khj h VAL 6 Ca -0.02 -0.03 -0.21 0.00 0.82 0.00 0.00 66.70 67.26 2khj h VAL 6 Cb 1.24 0.46 0.00 0.00 -1.52 0.00 0.00 31.29 31.47 2khj h VAL 6 CO 0.11 0.02 -0.82 0.00 0.02 0.00 0.00 177.57 176.90 2khj h ALA 7 N 1.55 0.42 0.05 1.67 0.00 -1.91 -3.38 119.26 117.67 2khj h ALA 7 Ca 0.46 -0.64 -0.38 0.00 0.00 0.00 0.00 54.91 54.36 2khj h ALA 7 Cb 1.70 -0.03 -0.05 0.00 0.00 0.00 0.00 17.79 19.41 2khj h ALA 7 CO -0.05 0.75 -2.26 1.28 0.00 0.00 0.00 179.25 178.96 2khj n LEU 8 N -3.85 2.76 -4.02 0.00 7.99 0.20 -4.97 117.00 115.11 2khj n LEU 8 Ca -0.06 0.02 -0.27 0.00 -0.01 0.00 0.00 56.01 55.69 2khj n LEU 8 Cb 0.76 -0.96 -0.17 0.00 -0.11 0.00 0.00 43.42 42.94 2khj n LEU 8 CO 0.51 0.89 -0.48 0.21 -1.51 0.00 0.00 177.39 177.01 2khj s ASN 9 N -6.72 2.20 0.08 -1.43 3.84 0.26 -5.14 114.94 108.03 2khj s ASN 9 Ca -0.29 -0.37 -0.14 0.00 0.21 0.00 0.00 52.86 52.27 2khj s ASN 9 Cb 0.08 -0.97 -0.06 0.00 -0.55 0.00 0.00 41.25 39.75 2khj s ASN 9 CO 0.68 -0.01 0.48 -1.59 -2.79 0.00 0.00 177.10 173.87 2khj s LYS 10 N 1.04 3.94 0.38 0.43 0.00 -1.26 -3.43 119.74 120.83 2khj s LYS 10 Ca -0.07 0.43 -0.26 0.00 0.00 0.00 0.00 55.97 56.08 2khj s LYS 10 Cb -0.15 -3.07 -0.09 0.00 0.00 0.00 0.00 37.83 34.52 2khj s LYS 10 CO -0.01 0.58 1.11 0.21 0.00 0.00 0.00 175.35 177.24 2khj s LYS 11 N -1.57 4.21 0.00 1.78 2.20 -1.26 -4.03 119.74 121.07 2khj s LYS 11 Ca 0.31 1.72 0.00 0.00 -0.36 0.00 0.00 55.97 57.64 2khj s LYS 11 Cb -0.16 -2.73 0.00 0.00 -1.51 0.00 0.00 37.83 33.43 2khj s LYS 11 CO 0.17 -0.15 0.00 0.41 -0.36 0.00 0.00 175.35 175.42 2khj n GLY 12 N 0.64 0.38 1.37 5.54 0.00 -0.34 -5.06 105.19 107.72 2khj n GLY 12 Ca 0.03 0.00 -0.08 0.00 0.00 0.00 0.00 46.02 45.98 2khj n GLY 12 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2khj n ALA 13 N -1.81 0.39 -2.66 4.61 0.00 -1.25 -4.81 120.51 114.97 2khj n ALA 13 Ca 0.00 -0.75 -0.33 0.00 0.00 0.00 0.00 53.44 52.36 2khj n ALA 13 Cb 0.00 0.24 -0.13 0.00 0.00 0.00 0.00 19.45 19.56 2khj n ALA 13 CO 0.00 0.00 0.00 0.96 0.00 0.00 0.00 177.50 178.46 2khj s ILE 14 N -0.49 3.36 0.02 0.00 -0.00 -1.26 0.51 121.20 123.34 2khj s ILE 14 Ca 0.18 -0.60 0.02 0.00 -0.00 0.00 0.00 60.65 60.26 2khj s ILE 14 Cb -0.01 -2.37 -0.02 0.00 -0.00 0.00 0.00 42.46 40.06 2khj s ILE 14 CO 0.12 0.57 -0.07 0.68 -0.00 0.00 0.00 174.94 176.23 2khj s VAL 15 N -0.47 0.55 -0.17 8.37 -7.23 0.06 -4.92 120.40 116.60 2khj s VAL 15 Ca 0.06 -0.72 -0.14 0.00 -1.81 0.00 0.00 61.98 59.37 2khj s VAL 15 Cb -0.12 -0.55 -0.04 0.00 0.56 0.00 0.00 36.38 36.23 2khj s VAL 15 CO 0.02 -0.13 0.32 0.42 -0.31 0.00 0.00 175.10 175.42 2khj s THR 16 N -0.80 5.28 0.20 5.32 -4.23 -1.26 -1.03 115.64 119.11 2khj s THR 16 Ca -0.04 0.59 -0.09 0.00 -1.18 0.00 0.00 61.69 60.97 2khj s THR 16 Cb -0.06 -3.66 -0.01 0.00 1.34 0.00 0.00 72.50 70.11 2khj s THR 16 CO 0.00 0.36 0.34 -0.83 -0.54 0.00 0.00 174.62 173.94 2khj s GLY 17 N 0.61 0.60 0.00 3.99 0.00 -0.97 -4.62 107.32 106.94 2khj s GLY 17 Ca 0.17 -0.96 0.08 0.00 0.00 0.00 0.00 44.72 44.01 2khj s GLY 17 CO 0.05 -0.82 -0.26 -1.59 0.00 0.00 0.00 173.10 170.49 2khj s LYS 18 N -4.01 1.95 0.06 2.90 -2.85 0.80 -1.76 119.74 116.84 2khj s LYS 18 Ca 0.21 -0.98 -0.31 0.00 -1.00 0.00 0.00 55.97 53.90 2khj s LYS 18 Cb 0.02 -1.97 -0.07 0.00 -2.06 0.00 0.00 37.83 33.75 2khj s LYS 18 CO 0.04 0.53 1.42 0.08 0.10 0.00 0.00 175.35 177.52 2khj s VAL 19 N -0.67 3.44 0.00 1.79 1.01 -0.30 0.66 120.40 126.33 2khj s VAL 19 Ca 0.10 0.95 0.00 0.00 0.00 0.00 0.00 61.98 63.04 2khj s VAL 19 Cb -0.10 -3.61 0.00 0.00 0.00 0.00 0.00 36.38 32.67 2khj s VAL 19 CO 0.00 0.04 0.07 1.07 0.00 0.00 0.00 175.10 176.27 2khj n THR 20 N 4.31 0.00 -3.56 3.92 5.66 -0.68 0.14 114.28 124.07 2khj n THR 20 Ca 0.13 -0.27 -0.09 0.00 -3.05 0.00 0.00 64.05 60.77 2khj n THR 20 Cb 0.43 1.12 -0.04 0.00 -1.55 0.00 0.00 70.33 70.29 2khj n THR 20 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 2khj s ALA 21 N -0.40 -1.93 -0.02 1.79 0.00 -1.18 -5.02 121.76 115.00 2khj s ALA 21 Ca 0.00 1.43 0.06 0.00 0.00 0.00 0.00 51.96 53.45 2khj s ALA 21 Cb 0.00 -0.31 -0.02 0.00 0.00 0.00 0.00 23.12 22.78 2khj s ALA 21 CO 0.00 -0.47 -0.20 0.14 0.00 0.00 0.00 175.76 175.23 2khj s VAL 22 N -1.93 2.58 0.40 0.00 -7.23 -1.26 -0.93 120.40 112.03 2khj s VAL 22 Ca 0.03 -0.99 0.08 0.00 -1.81 0.00 0.00 61.98 59.28 2khj s VAL 22 Cb -0.01 -1.98 -0.02 0.00 0.56 0.00 0.00 36.38 34.93 2khj s VAL 22 CO -0.03 0.53 0.37 -1.81 -0.31 0.00 0.00 175.10 173.85 2khj s ASP 23 N -0.84 5.16 0.28 4.85 1.01 -0.06 -4.92 116.67 122.16 2khj s ASP 23 Ca 0.11 -0.66 -0.02 0.00 0.71 0.00 0.00 52.55 52.70 2khj s ASP 23 Cb -0.10 -0.68 0.43 0.00 1.01 0.00 0.00 42.92 43.58 2khj s ASP 23 CO 0.01 -0.58 1.92 0.00 0.21 0.00 0.00 175.17 176.72 2khj h ALA 24 N 1.06 1.42 -0.05 5.23 0.00 -2.02 -1.77 119.26 123.13 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 1.26 -0.32 0.00 0.00 0.00 0.00 0.00 17.79 18.74 2khj h ALA 24 CO 0.57 0.47 0.00 0.36 0.00 0.00 0.00 179.25 180.65 2khj n LYS 25 N -4.46 1.36 -4.46 0.00 2.85 -1.26 -5.08 118.16 107.12 2khj n LYS 25 Ca 0.13 -1.53 -0.22 0.00 -1.05 0.00 0.00 58.31 55.65 2khj n LYS 25 Cb 0.13 -1.32 -0.11 0.00 -0.65 0.00 0.00 35.03 33.08 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 -1.33 2.08 -0.03 2.58 0.00 -0.67 -3.89 107.32 106.06 2khj s GLY 26 Ca 0.20 -2.06 -0.01 0.00 0.00 0.00 0.00 44.72 42.85 2khj s GLY 26 CO 0.21 -1.84 0.06 0.00 0.00 0.00 0.00 173.10 171.53 2khj s ALA 27 N -3.23 -0.04 -0.24 3.20 0.00 -0.88 -0.88 121.76 119.68 2khj s ALA 27 Ca 0.36 0.40 -0.07 0.00 0.00 0.00 0.00 51.96 52.64 2khj s ALA 27 Cb 0.08 -0.29 -0.03 0.00 0.00 0.00 0.00 23.12 22.88 2khj s ALA 27 CO 0.15 -0.11 0.07 0.95 0.00 0.00 0.00 175.76 176.82 2khj s THR 28 N 1.00 4.35 -0.08 0.00 -4.23 -0.10 -0.79 115.64 115.78 2khj s THR 28 Ca -0.08 -0.16 -0.01 0.00 -1.18 0.00 0.00 61.69 60.26 2khj s THR 28 Cb -0.11 -3.03 -0.03 0.00 1.34 0.00 0.00 72.50 70.67 2khj s THR 28 CO -0.04 0.35 -0.03 0.54 -0.54 0.00 0.00 174.62 174.91 2khj s VAL 29 N 1.52 4.08 -0.33 2.29 0.11 -1.04 -1.69 120.40 125.33 2khj s VAL 29 Ca 0.06 -0.34 -0.14 0.00 -2.93 0.00 0.00 61.98 58.63 2khj s VAL 29 Cb -0.15 -2.70 -0.02 0.00 -1.53 0.00 0.00 36.38 31.99 2khj s VAL 29 CO 0.04 0.60 0.31 -0.70 -3.33 0.00 0.00 175.10 172.01 2khj s GLU 30 N -0.85 3.59 0.01 1.54 2.12 0.21 -1.13 118.70 124.18 2khj s GLU 30 Ca 0.13 -0.47 0.15 0.00 0.36 0.00 0.00 54.97 55.14 2khj s GLU 30 Cb -0.11 -3.79 -0.18 0.00 0.26 0.00 0.00 34.13 30.31 2khj s GLU 30 CO 0.02 -0.46 0.72 1.28 -0.54 0.00 0.00 175.26 176.28 2khj n LEU 31 N 5.25 0.82 0.00 2.70 4.77 -0.78 -0.14 117.00 129.62 2khj n LEU 31 Ca -0.11 0.37 0.00 0.00 -0.03 0.00 0.00 56.01 56.25 2khj n LEU 31 Cb 0.50 0.13 0.00 0.00 -2.33 0.00 0.00 43.42 41.72 2khj n LEU 31 CO 0.38 0.26 0.00 0.00 -1.33 0.00 0.00 177.39 176.70 2khj n ALA 32 N -2.47 0.00 -0.89 -1.18 0.00 -1.04 -4.81 120.51 110.11 2khj n ALA 32 Ca -0.14 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.30 2khj n ALA 32 Cb 0.94 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.39 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 -0.85 -1.52 0.00 0.00 2.03 -1.26 -1.53 116.55 113.42 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 -1.10 0.00 0.00 -0.72 0.00 0.00 41.12 39.30 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 -1.87 0.86 3.80 0.27 0.00 -1.26 -5.05 105.19 101.95 2khj n GLY 34 Ca 0.00 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.66 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 -2.04 5.15 0.13 1.61 -7.23 -0.58 -4.12 120.40 113.32 2khj s VAL 35 Ca 0.00 0.08 0.07 0.00 -1.81 0.00 0.00 61.98 60.32 2khj s VAL 35 Cb 0.00 -3.24 -0.04 0.00 0.56 0.00 0.00 36.38 33.66 2khj s VAL 35 CO 0.00 0.59 -0.16 -1.61 -0.31 0.00 0.00 175.10 173.61 2khj s GLU 36 N -0.76 1.11 0.00 4.82 2.02 -1.26 -1.87 118.70 122.75 2khj s GLU 36 Ca 0.13 -1.29 0.00 0.00 0.02 0.00 0.00 54.97 53.83 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 0.03 0.21 0.00 0.41 0.02 0.00 0.00 175.26 175.93 2khj n GLY 37 N 0.49 3.82 3.72 -1.39 0.00 -0.29 -4.71 105.19 106.82 2khj n GLY 37 Ca -0.15 -1.04 -0.35 0.00 0.00 0.00 0.00 46.02 44.48 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 -2.46 3.25 -0.04 1.61 5.04 -1.25 -2.50 117.35 121.00 2khj s TYR 38 Ca 0.00 0.24 0.02 0.00 -2.44 0.00 0.00 57.07 54.90 2khj s TYR 38 Cb 0.00 -1.84 0.01 0.00 0.35 0.00 0.00 41.96 40.48 2khj s TYR 38 CO 0.00 0.50 -0.09 -1.17 -1.34 0.00 0.00 175.55 173.45 2khj s LEU 39 N -0.81 1.64 0.28 6.97 1.98 0.03 -3.11 118.68 125.65 2khj s LEU 39 Ca 0.13 -0.21 -0.28 0.00 -2.89 0.00 0.00 54.13 50.87 2khj s LEU 39 Cb -0.12 -0.61 -0.09 0.00 0.66 0.00 0.00 46.19 46.03 2khj s LEU 39 CO 0.03 0.03 0.96 -0.13 -1.89 0.00 0.00 176.35 175.34 2khj s ARG 40 N 0.50 4.72 0.62 1.98 0.52 -1.26 -2.08 118.95 123.95 2khj s ARG 40 Ca -0.09 1.45 0.28 0.00 -0.52 0.00 0.00 55.73 56.86 2khj s ARG 40 Cb -0.12 -3.07 1.46 0.00 0.52 0.00 0.00 34.95 33.73 2khj s ARG 40 CO 0.01 0.39 1.85 0.00 0.02 0.00 0.00 175.30 177.58 2khj h ALA 41 N 3.71 1.94 0.00 2.13 0.00 -1.86 0.09 119.26 125.27 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 1.20 0.02 0.00 0.00 0.00 0.00 0.00 17.79 19.01 2khj h ALA 41 CO 0.67 -0.64 0.00 1.03 0.00 0.00 0.00 179.25 180.30 2khj h SER 42 N 0.00 0.00 -6.89 0.00 0.87 -1.94 -3.49 113.55 102.11 2khj h SER 42 Ca 0.15 0.00 -0.45 0.00 -1.23 0.00 0.00 61.79 60.26 2khj h SER 42 Cb 1.11 0.00 -0.07 0.00 -0.44 0.00 0.00 62.40 63.00 2khj h SER 42 CO -0.00 0.00 -0.73 -0.62 -0.53 0.00 0.00 176.83 174.95 2khj n GLU 43 N -3.05 -0.62 0.00 2.24 1.02 0.02 -2.54 120.64 117.71 2khj n GLU 43 Ca 0.02 -0.04 0.00 0.00 -0.02 0.00 0.00 57.16 57.11 2khj n GLU 43 Cb 0.37 -1.93 0.00 0.00 -0.02 0.00 0.00 31.44 29.86 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 0.00 0.00 0.62 0.00 -1.26 -4.83 120.51 111.19 2khj n ALA 44 Ca -0.14 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.30 2khj n ALA 44 Cb 0.45 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.90 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 3.75 0.00 -3.82 0.00 3.41 -1.05 -5.07 113.62 110.83 2khj n SER 45 Ca 0.00 0.00 -0.12 0.00 -0.26 0.00 0.00 58.87 58.49 2khj n SER 45 Cb 0.00 0.00 -0.12 0.00 -0.26 0.00 0.00 64.21 63.83 2khj n SER 45 CO 0.00 0.00 0.00 -0.60 -0.16 0.00 0.00 175.04 174.28 2khj s ARG 46 N -1.80 0.25 -1.48 4.33 6.06 -1.26 -4.89 118.95 120.17 2khj s ARG 46 Ca 0.00 0.17 -0.09 0.00 -2.50 0.00 0.00 55.73 53.30 2khj s ARG 46 Cb 0.00 0.12 0.02 0.00 0.06 0.00 0.00 34.95 35.15 2khj s ARG 46 CO 0.00 -0.04 2.55 -0.25 -2.50 0.00 0.00 175.30 175.06 2khj n ASP 47 N 2.77 7.28 -0.28 -2.12 8.00 -1.26 -4.31 116.55 126.63 2khj n ASP 47 Ca -0.14 -2.84 0.00 0.00 0.71 0.00 0.00 54.79 52.52 2khj n ASP 47 Cb 0.58 -1.51 0.00 0.00 -0.02 0.00 0.00 41.12 40.17 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 3.55 0.15 0.16 -1.24 1.74 -1.26 -5.06 116.66 114.70 2khj n ARG 48 Ca 0.65 0.00 0.05 0.00 -0.77 0.00 0.00 57.85 57.78 2khj n ARG 48 Cb 0.28 0.00 0.06 0.00 -1.02 0.00 0.00 32.46 31.78 2khj n ARG 48 CO 0.00 0.00 0.00 -0.24 -1.52 0.00 0.00 177.63 175.87 2khj h VAL 49 N 0.27 0.59 -3.35 1.55 3.04 -2.08 -3.41 116.25 112.87 2khj h VAL 49 Ca 0.00 -1.85 -0.67 0.00 -1.01 0.00 0.00 66.70 63.17 2khj h VAL 49 Cb 0.00 2.27 -0.29 0.00 -2.01 0.00 0.00 31.29 31.26 2khj h VAL 49 CO 0.00 0.34 -0.81 -1.83 -1.01 0.00 0.00 177.57 174.25 2khj s GLU 50 N -3.03 3.22 0.00 4.17 4.04 -1.26 -5.03 118.70 120.81 2khj s GLU 50 Ca 0.04 -0.77 0.00 0.00 0.04 0.00 0.00 54.97 54.28 2khj s GLU 50 Cb 0.07 -2.48 0.00 0.00 0.02 0.00 0.00 34.13 31.74 2khj s GLU 50 CO 0.73 0.21 0.00 -0.25 -1.84 0.00 0.00 175.26 174.11 2khj n ASP 51 N 3.49 0.00 0.12 0.83 9.92 -1.26 -4.74 116.55 124.91 2khj n ASP 51 Ca -0.18 0.00 0.06 0.00 -0.53 0.00 0.00 54.79 54.13 2khj n ASP 51 Cb 0.53 0.00 0.31 0.00 -0.64 0.00 0.00 41.12 41.32 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 0.71 0.09 2.24 0.00 -1.26 -2.78 120.51 116.51 2khj n ALA 52 Ca 0.00 0.11 -0.18 0.00 0.00 0.00 0.00 53.44 53.37 2khj n ALA 52 Cb 0.00 -0.86 -0.10 0.00 0.00 0.00 0.00 19.45 18.49 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 1.37 0.19 0.00 1.35 -1.87 -0.94 112.91 113.01 2khj h THR 53 Ca 0.00 -2.59 -0.31 0.00 -0.55 0.00 0.00 66.41 62.96 2khj h THR 53 Cb 0.42 2.65 0.02 0.00 -1.73 0.00 0.00 68.15 69.52 2khj h THR 53 CO 0.00 0.77 -1.49 0.25 -0.25 0.00 0.00 175.52 174.80 2khj h LEU 54 N 0.22 0.63 -3.13 3.87 7.12 -1.83 -3.42 115.31 118.77 2khj h LEU 54 Ca -0.14 -0.92 0.00 0.00 0.13 0.00 0.00 57.88 56.95 2khj h LEU 54 Cb 1.82 -0.21 0.00 0.00 -0.53 0.00 0.00 40.66 41.74 2khj h LEU 54 CO 0.21 1.69 0.00 0.55 -0.13 0.00 0.00 178.44 180.75 2khj n VAL 55 N -3.76 1.87 -4.30 1.05 3.14 -1.12 -4.89 118.33 110.32 2khj n VAL 55 Ca -0.21 -1.68 -0.20 0.00 -2.96 0.00 0.00 64.34 59.29 2khj n VAL 55 Cb 1.02 -0.04 -0.16 0.00 -1.06 0.00 0.00 33.84 33.61 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 -2.31 1.65 0.27 6.55 1.02 -0.36 -4.89 118.68 120.61 2khj s LEU 56 Ca 0.34 -0.16 0.09 0.00 0.02 0.00 0.00 54.13 54.42 2khj s LEU 56 Cb 0.26 -0.50 -0.04 0.00 0.02 0.00 0.00 46.19 45.93 2khj s LEU 56 CO 0.09 0.02 0.05 -0.44 0.02 0.00 0.00 176.35 176.10 2khj s SER 57 N 0.43 4.74 -0.11 2.29 0.01 -1.26 -4.74 113.70 115.06 2khj s SER 57 Ca -0.06 -0.59 -0.30 0.00 1.31 0.00 0.00 55.95 56.31 2khj s SER 57 Cb -0.10 -0.94 -0.02 0.00 0.21 0.00 0.00 66.02 65.17 2khj s SER 57 CO 0.01 -0.04 1.23 0.54 0.41 0.00 0.00 173.24 175.38 2khj s VAL 58 N -2.30 4.28 0.00 3.43 0.11 -1.26 -2.60 120.40 122.05 2khj s VAL 58 Ca 0.32 1.57 0.00 0.00 -2.93 0.00 0.00 61.98 60.95 2khj s VAL 58 Cb -0.06 -4.01 0.00 0.00 -1.53 0.00 0.00 36.38 30.77 2khj s VAL 58 CO 0.21 -0.07 0.00 0.61 -3.33 0.00 0.00 175.10 172.52 2khj n GLY 59 N 3.49 0.55 3.71 6.54 0.00 0.12 -4.97 105.19 114.63 2khj n GLY 59 Ca 0.12 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.81 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 -2.16 5.29 0.17 1.61 2.15 -1.07 -4.86 116.67 117.81 2khj s ASP 60 Ca 0.00 0.06 0.08 0.00 0.43 0.00 0.00 52.55 53.12 2khj s ASP 60 Cb 0.00 -1.44 -0.04 0.00 -0.30 0.00 0.00 42.92 41.14 2khj s ASP 60 CO 0.00 0.30 -0.05 -1.83 -0.17 0.00 0.00 175.17 173.42 2khj s GLU 61 N -1.47 2.25 0.03 4.34 -1.05 -1.26 -1.15 118.70 120.38 2khj s GLU 61 Ca 0.19 -1.15 -0.01 0.00 -0.15 0.00 0.00 54.97 53.85 2khj s GLU 61 Cb -0.12 -2.28 -0.02 0.00 -0.44 0.00 0.00 34.13 31.27 2khj s GLU 61 CO 0.10 0.46 -0.02 0.08 0.95 0.00 0.00 175.26 176.82 2khj s VAL 62 N -1.65 0.14 -0.13 1.83 1.01 -0.72 -5.00 120.40 115.87 2khj s VAL 62 Ca 0.26 -1.15 -0.14 0.00 0.00 0.00 0.00 61.98 60.94 2khj s VAL 62 Cb -0.09 -0.63 -0.05 0.00 0.00 0.00 0.00 36.38 35.61 2khj s VAL 62 CO 0.17 -0.64 0.32 -0.70 0.00 0.00 0.00 175.10 174.25 2khj s GLU 63 N -2.16 4.16 0.29 2.72 2.12 -1.26 -2.28 118.70 122.29 2khj s GLU 63 Ca -0.09 0.16 0.03 0.00 0.36 0.00 0.00 54.97 55.42 2khj s GLU 63 Cb -0.05 -3.38 -0.06 0.00 0.26 0.00 0.00 34.13 30.90 2khj s GLU 63 CO -0.03 0.33 0.06 0.00 -0.54 0.00 0.00 175.26 175.07 2khj s ALA 64 N 0.18 2.04 -0.09 6.30 0.00 -0.20 -1.97 121.76 128.02 2khj s ALA 64 Ca 0.18 -1.94 -0.08 0.00 0.00 0.00 0.00 51.96 50.12 2khj s ALA 64 Cb -0.14 0.78 -0.04 0.00 0.00 0.00 0.00 23.12 23.72 2khj s ALA 64 CO 0.06 -0.36 0.18 0.21 0.00 0.00 0.00 175.76 175.85 2khj s LYS 65 N -3.94 3.51 -0.54 0.00 2.47 0.75 -0.76 119.74 121.22 2khj s LYS 65 Ca 0.36 -0.07 -0.18 0.00 -1.56 0.00 0.00 55.97 54.51 2khj s LYS 65 Cb 0.08 -3.18 0.09 0.00 -1.46 0.00 0.00 37.83 33.36 2khj s LYS 65 CO 0.14 0.76 0.61 0.12 0.16 0.00 0.00 175.35 177.14 2khj s PHE 66 N -1.07 3.08 -0.11 4.03 2.19 0.18 -2.03 117.98 124.24 2khj s PHE 66 Ca 0.18 -0.85 -0.08 0.00 0.33 0.00 0.00 56.93 56.50 2khj s PHE 66 Cb -0.13 -3.72 -0.03 0.00 -1.31 0.00 0.00 43.02 37.84 2khj s PHE 66 CO 0.07 -1.11 -0.16 0.25 1.83 0.00 0.00 175.22 176.10 2khj n THR 67 N 5.49 1.12 -3.58 0.12 -2.24 -0.97 -1.19 114.28 113.03 2khj n THR 67 Ca -0.09 0.27 -0.16 0.00 -2.27 0.00 0.00 64.05 61.79 2khj n THR 67 Cb 0.43 -2.20 -0.07 0.00 -2.10 0.00 0.00 70.33 66.40 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 -3.95 -0.49 0.01 3.38 0.00 -1.21 -4.73 107.32 100.33 2khj s GLY 68 Ca -0.13 1.23 0.08 0.00 0.00 0.00 0.00 44.72 45.90 2khj s GLY 68 CO 0.19 0.92 -0.23 -1.34 0.00 0.00 0.00 173.10 172.64 2khj s VAL 69 N -0.96 1.87 -0.19 1.40 -7.23 -1.26 -1.85 120.40 112.19 2khj s VAL 69 Ca -0.10 -1.14 -0.13 0.00 -1.81 0.00 0.00 61.98 58.81 2khj s VAL 69 Cb -0.02 -1.58 -0.05 0.00 0.56 0.00 0.00 36.38 35.29 2khj s VAL 69 CO 0.07 0.41 0.25 1.51 -0.31 0.00 0.00 175.10 177.04 2khj s ASP 70 N -0.86 6.33 0.54 4.85 -4.77 0.37 -4.96 116.67 118.17 2khj s ASP 70 Ca 0.09 0.38 0.32 0.00 -3.30 0.00 0.00 52.55 50.05 2khj s ASP 70 Cb -0.09 -2.16 1.27 0.00 -1.09 0.00 0.00 42.92 40.85 2khj s ASP 70 CO 0.00 0.09 1.95 0.03 0.70 0.00 0.00 175.17 177.94 2khj h ARG 71 N 6.91 0.00 0.23 2.11 2.47 -1.97 -1.32 114.38 122.81 2khj h ARG 71 Ca -0.40 0.00 -0.32 0.00 -1.26 0.00 0.00 59.98 58.00 2khj h ARG 71 Cb 1.16 0.00 0.03 0.00 -1.65 0.00 0.00 29.97 29.51 2khj h ARG 71 CO 0.74 0.01 -1.46 0.87 0.56 0.00 0.00 179.97 180.68 2khj h LYS 72 N 0.00 0.48 0.00 0.04 1.79 -1.97 -3.37 116.57 113.54 2khj h LYS 72 Ca -0.00 -0.82 0.00 0.00 -2.18 0.00 0.00 60.65 57.65 2khj h LYS 72 Cb 0.56 0.31 0.00 0.00 -1.58 0.00 0.00 32.23 31.52 2khj h LYS 72 CO 0.00 1.39 -0.90 -1.71 -1.08 0.00 0.00 179.45 177.16 2khj n ASN 73 N -3.75 0.92 -3.10 0.86 4.05 -1.25 -5.04 115.26 107.96 2khj n ASN 73 Ca -0.18 -0.62 -0.15 0.00 0.45 0.00 0.00 54.58 54.07 2khj n ASN 73 Cb 1.06 1.16 0.08 0.00 1.23 0.00 0.00 39.78 43.31 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 -1.49 -5.81 -4.23 1.20 5.12 -0.51 -5.05 116.66 105.89 2khj n ARG 74 Ca 0.01 0.73 -0.13 0.00 -1.93 0.00 0.00 57.85 56.53 2khj n ARG 74 Cb 0.25 -5.41 -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 -3.31 1.30 -0.07 7.54 0.00 -1.17 -3.96 121.76 122.10 2khj s ALA 75 Ca 0.04 -1.54 -0.13 0.00 0.00 0.00 0.00 51.96 50.33 2khj s ALA 75 Cb -0.02 0.41 -0.05 0.00 0.00 0.00 0.00 23.12 23.46 2khj s ALA 75 CO 0.63 -0.27 0.32 0.96 0.00 0.00 0.00 175.76 177.40 2khj s ILE 76 N -3.60 5.21 -0.19 0.00 -5.25 -1.26 -0.48 121.20 115.63 2khj s ILE 76 Ca 0.21 0.64 -0.02 0.00 -0.99 0.00 0.00 60.65 60.48 2khj s ILE 76 Cb 0.05 -3.63 -0.01 0.00 2.95 0.00 0.00 42.46 41.83 2khj s ILE 76 CO 0.02 0.54 -0.10 -0.44 -1.79 0.00 0.00 174.94 173.17 2khj s SER 77 N -0.66 4.01 0.02 4.36 0.01 -0.77 -3.81 113.70 116.85 2khj s SER 77 Ca 0.20 -0.42 0.05 0.00 1.31 0.00 0.00 55.95 57.10 2khj s SER 77 Cb -0.15 -1.65 -0.03 0.00 0.21 0.00 0.00 66.02 64.40 2khj s SER 77 CO 0.09 0.04 -0.13 -0.76 0.41 0.00 0.00 173.24 172.90 2khj s LEU 78 N 1.09 2.87 0.01 2.44 2.01 -1.18 -2.29 118.68 123.64 2khj s LEU 78 Ca 0.00 -0.29 0.02 0.00 0.01 0.00 0.00 54.13 53.87 2khj s LEU 78 Cb -0.15 -1.67 -0.04 0.00 0.01 0.00 0.00 46.19 44.35 2khj s LEU 78 CO -0.02 0.27 0.01 -0.55 1.01 0.00 0.00 176.35 177.07 2khj s SER 79 N -1.43 5.17 0.35 2.29 0.15 -0.86 -4.05 113.70 115.31 2khj s SER 79 Ca 0.16 -0.01 0.11 0.00 0.70 0.00 0.00 55.95 56.90 2khj s SER 79 Cb -0.11 -1.35 0.58 0.00 -1.71 0.00 0.00 66.02 63.43 2khj s SER 79 CO 0.06 0.27 1.20 -0.37 1.20 0.00 0.00 173.24 175.60 2khj h VAL 80 N 3.41 0.00 -0.02 4.45 -1.51 -1.87 0.21 116.25 120.93 2khj h VAL 80 Ca -0.49 0.00 0.01 0.00 -1.23 0.00 0.00 66.70 64.99 2khj h VAL 80 Cb 1.17 0.24 -0.00 0.00 -2.13 0.00 0.00 31.29 30.57 2khj h VAL 80 CO 0.58 0.00 0.06 -0.09 -1.23 0.00 0.00 177.57 176.89 2khj h ARG 81 N 0.00 0.00 0.00 5.19 9.65 -1.88 -3.40 114.38 123.94 2khj h ARG 81 Ca 0.00 0.00 0.00 0.00 -1.10 0.00 0.00 59.98 58.88 2khj h ARG 81 Cb 0.83 0.00 0.00 0.00 -1.39 0.00 0.00 29.97 29.41 2khj h ARG 81 CO 0.00 0.00 0.00 0.00 2.80 0.00 0.00 179.97 182.77 2khj n ALA 82 N -2.14 0.00 0.00 2.80 0.00 -0.83 -4.10 120.51 116.23 2khj n ALA 82 Ca -0.02 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.42 2khj n ALA 82 Cb 0.13 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.58 2khj n ALA 82 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 2khj n LYS 83 N 0.00 0.00 0.02 0.00 5.02 -1.26 -4.82 118.16 117.12 2khj n LYS 83 Ca 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.29 2khj n LYS 83 Cb 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 35.03 35.01 2khj n LYS 83 CO 0.00 0.00 0.00 -3.47 -0.52 0.00 0.00 177.40 173.41 2khj n ASP 84 N 0.00 -0.40 -1.47 4.39 2.03 -1.26 -4.98 116.55 114.87 2khj n ASP 84 Ca 0.00 0.39 -0.03 0.00 0.52 0.00 0.00 54.79 55.67 2khj n ASP 84 Cb 0.00 0.69 0.00 0.00 -0.72 0.00 0.00 41.12 41.09 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 -2.75 0.25 -3.96 -0.67 0.28 -1.26 -5.20 120.64 107.33 2khj n GLU 85 Ca 0.00 -0.60 -0.09 0.00 -0.16 0.00 0.00 57.16 56.31 2khj n GLU 85 Cb 0.00 0.69 -0.10 0.00 1.43 0.00 0.00 31.44 33.47 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 -1.45 0.07 0.00 -1.84 0.00 -1.26 -4.88 121.76 112.40 2khj s ALA 86 Ca 0.05 -0.68 0.00 0.00 0.00 0.00 0.00 51.96 51.33 2khj s ALA 86 Cb -0.01 0.24 0.00 0.00 0.00 0.00 0.00 23.12 23.35 2khj s ALA 86 CO 0.04 -0.31 0.00 -0.25 0.00 0.00 0.00 175.76 175.24 2khj n ASP 87 N 0.77 0.00 -0.80 0.00 8.00 -1.26 -4.84 116.55 118.42 2khj n ASP 87 Ca -0.19 0.00 0.10 0.00 0.71 0.00 0.00 54.79 55.41 2khj n ASP 87 Cb 0.58 0.00 0.08 0.00 -0.02 0.00 0.00 41.12 41.77 2khj n ASP 87 CO 0.00 0.00 0.00 -0.62 -0.39 0.00 0.00 177.20 176.19 2khj n GLU 88 N -1.41 1.84 0.00 -1.24 -0.58 -1.26 -5.33 120.64 112.65 2khj n GLU 88 Ca 0.00 -1.69 0.00 0.00 -0.42 0.00 0.00 57.16 55.05 2khj n GLU 88 Cb 0.00 -1.39 0.00 0.00 -0.57 0.00 0.00 31.44 29.48 2khj n GLU 88 CO 0.00 0.00 0.00 0.36 -0.48 0.00 0.00 177.13 177.01