#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 0.11 -1.08 3.17 3.04 -1.84 -3.31 116.94 117.04 2khj h PHE 2 Ca 0.00 0.00 0.30 0.00 3.98 0.00 0.00 57.97 62.25 2khj h PHE 2 Cb 0.00 -0.03 -0.06 0.00 2.56 0.00 0.00 35.95 38.42 2khj h PHE 2 CO 0.00 0.02 0.75 -2.95 -2.02 0.00 0.00 178.31 174.11 2khj h ASN 3 N 0.08 0.15 0.66 0.41 -0.00 -1.98 0.40 115.58 115.29 2khj h ASN 3 Ca 0.45 0.03 -0.23 0.00 -0.00 0.00 0.00 56.30 56.55 2khj h ASN 3 Cb 1.66 0.00 -0.01 0.00 -0.00 0.00 0.00 38.32 39.97 2khj h ASN 3 CO -0.05 0.03 -1.03 0.78 -0.00 0.00 0.00 177.43 177.16 2khj h ASN 4 N 0.13 0.29 0.14 6.14 4.21 -1.91 -3.41 115.58 121.17 2khj h ASN 4 Ca 0.54 -0.27 -0.11 0.00 1.21 0.00 0.00 56.30 57.67 2khj h ASN 4 Cb 1.89 -0.09 -0.01 0.00 -1.12 0.00 0.00 38.32 38.99 2khj h ASN 4 CO -0.10 1.15 -0.40 -0.25 -1.29 0.00 0.00 177.43 176.53 2khj h TRP 5 N 0.09 0.41 -1.00 1.19 7.01 -0.39 -3.37 115.95 119.88 2khj h TRP 5 Ca -0.07 -0.11 0.28 0.00 2.11 0.00 0.00 58.89 61.09 2khj h TRP 5 Cb 1.72 -0.09 -0.06 0.00 -2.10 0.00 0.00 29.16 28.64 2khj h TRP 5 CO 0.04 0.70 0.70 0.28 -2.79 0.00 0.00 178.44 177.37 2khj h VAL 6 N 0.29 0.52 -0.09 2.65 2.07 -1.52 0.81 116.25 120.98 2khj h VAL 6 Ca 0.03 -0.05 -0.21 0.00 0.82 0.00 0.00 66.70 67.29 2khj h VAL 6 Cb 0.84 0.37 0.00 0.00 -1.52 0.00 0.00 31.29 30.98 2khj h VAL 6 CO 0.07 0.03 -0.80 0.00 0.02 0.00 0.00 177.57 176.89 2khj h ALA 7 N 1.54 0.43 0.05 1.67 0.00 -1.92 -3.37 119.26 117.66 2khj h ALA 7 Ca 0.50 -0.62 -0.38 0.00 0.00 0.00 0.00 54.91 54.41 2khj h ALA 7 Cb 1.74 -0.03 -0.05 0.00 0.00 0.00 0.00 17.79 19.45 2khj h ALA 7 CO -0.09 0.73 -2.27 1.28 0.00 0.00 0.00 179.25 178.90 2khj n LEU 8 N -3.86 2.79 -3.98 0.00 4.77 0.22 -4.94 117.00 111.99 2khj n LEU 8 Ca -0.06 0.02 -0.27 0.00 -0.03 0.00 0.00 56.01 55.68 2khj n LEU 8 Cb 0.75 -0.99 -0.17 0.00 -2.33 0.00 0.00 43.42 40.68 2khj n LEU 8 CO 0.51 0.88 -0.46 0.21 -1.33 0.00 0.00 177.39 177.20 2khj s ASN 9 N -6.76 2.12 0.20 -1.43 3.04 0.26 -5.14 114.94 107.22 2khj s ASN 9 Ca -0.30 -0.34 0.06 0.00 0.04 0.00 0.00 52.86 52.33 2khj s ASN 9 Cb 0.08 -0.91 -0.04 0.00 -1.54 0.00 0.00 41.25 38.85 2khj s ASN 9 CO 0.66 -0.03 0.11 -1.59 -3.04 0.00 0.00 177.10 173.21 2khj s LYS 10 N 1.18 2.76 0.49 0.43 0.00 -1.26 -3.24 119.74 120.11 2khj s LYS 10 Ca -0.04 -1.01 -0.23 0.00 0.00 0.00 0.00 55.97 54.69 2khj s LYS 10 Cb -0.14 -2.53 -0.08 0.00 0.00 0.00 0.00 37.83 35.08 2khj s LYS 10 CO -0.03 0.45 1.17 1.63 0.00 0.00 0.00 175.35 178.57 2khj n LYS 11 N -0.57 1.52 0.00 1.78 5.02 -1.26 -4.14 118.16 120.51 2khj n LYS 11 Ca -0.08 0.55 0.00 0.00 -2.02 0.00 0.00 58.31 56.76 2khj n LYS 11 Cb 0.56 -2.31 0.00 0.00 -0.02 0.00 0.00 35.03 33.26 2khj n LYS 11 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 2khj n GLY 12 N 0.98 0.56 3.92 0.72 0.00 0.15 -5.02 105.19 106.50 2khj n GLY 12 Ca 0.10 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.90 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 4.30 -0.13 4.61 0.00 -1.23 -4.86 121.76 122.45 2khj s ALA 13 Ca 0.00 -1.75 -0.04 0.00 0.00 0.00 0.00 51.96 50.17 2khj s ALA 13 Cb 0.00 -1.06 -0.03 0.00 0.00 0.00 0.00 23.12 22.03 2khj s ALA 13 CO 0.00 -0.39 0.02 0.42 0.00 0.00 0.00 175.76 175.81 2khj s ILE 14 N -2.58 4.44 0.03 0.00 1.09 -1.26 0.29 121.20 123.21 2khj s ILE 14 Ca 0.47 -0.18 0.03 0.00 -1.10 0.00 0.00 60.65 59.87 2khj s ILE 14 Cb -0.04 -2.93 -0.02 0.00 -1.06 0.00 0.00 42.46 38.41 2khj s ILE 14 CO 0.28 0.54 -0.09 0.68 -0.10 0.00 0.00 174.94 176.26 2khj s VAL 15 N -0.25 0.66 -0.20 2.92 -7.23 0.05 -4.92 120.40 111.43 2khj s VAL 15 Ca 0.06 -0.77 -0.10 0.00 -1.81 0.00 0.00 61.98 59.36 2khj s VAL 15 Cb -0.12 -0.63 -0.05 0.00 0.56 0.00 0.00 36.38 36.13 2khj s VAL 15 CO 0.02 -0.10 0.15 0.42 -0.31 0.00 0.00 175.10 175.27 2khj s THR 16 N -0.81 5.39 0.34 5.32 -4.23 -1.26 -1.08 115.64 119.31 2khj s THR 16 Ca -0.03 0.22 -0.06 0.00 -1.18 0.00 0.00 61.69 60.65 2khj s THR 16 Cb -0.07 -3.49 0.01 0.00 1.34 0.00 0.00 72.50 70.29 2khj s THR 16 CO 0.00 0.42 0.51 -0.83 -0.54 0.00 0.00 174.62 174.19 2khj s GLY 17 N 0.44 1.22 0.12 3.99 0.00 -0.90 -4.67 107.32 107.52 2khj s GLY 17 Ca 0.09 -1.34 0.09 0.00 0.00 0.00 0.00 44.72 43.56 2khj s GLY 17 CO -0.01 -0.87 -0.22 -1.59 0.00 0.00 0.00 173.10 170.42 2khj s LYS 18 N -3.09 1.21 0.06 2.90 0.00 0.13 -0.97 119.74 119.99 2khj s LYS 18 Ca 0.28 -1.25 -0.31 0.00 0.00 0.00 0.00 55.97 54.69 2khj s LYS 18 Cb -0.01 -1.50 -0.06 0.00 0.00 0.00 0.00 37.83 36.27 2khj s LYS 18 CO 0.18 0.34 1.20 0.08 0.00 0.00 0.00 175.35 177.15 2khj s VAL 19 N -1.28 4.03 0.00 1.79 1.01 0.14 0.21 120.40 126.30 2khj s VAL 19 Ca 0.10 1.46 0.00 0.00 0.00 0.00 0.00 61.98 63.54 2khj s VAL 19 Cb -0.09 -3.94 0.00 0.00 0.00 0.00 0.00 36.38 32.35 2khj s VAL 19 CO 0.05 0.11 0.00 1.07 0.00 0.00 0.00 175.10 176.34 2khj n THR 20 N 3.92 0.00 -3.53 3.92 5.66 -1.01 -0.02 114.28 123.22 2khj n THR 20 Ca 0.09 -0.01 -0.11 0.00 -3.05 0.00 0.00 64.05 60.97 2khj n THR 20 Cb 0.46 0.56 -0.04 0.00 -1.55 0.00 0.00 70.33 69.77 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 -0.06 -1.84 -0.00 1.79 0.00 -1.19 -5.01 121.76 115.45 2khj s ALA 21 Ca 0.00 1.24 0.07 0.00 0.00 0.00 0.00 51.96 53.26 2khj s ALA 21 Cb 0.00 -0.03 -0.03 0.00 0.00 0.00 0.00 23.12 23.07 2khj s ALA 21 CO 0.00 -0.51 -0.20 0.14 0.00 0.00 0.00 175.76 175.19 2khj s VAL 22 N -2.15 2.57 0.41 0.00 -7.23 -1.26 -0.67 120.40 112.07 2khj s VAL 22 Ca 0.00 -1.07 0.08 0.00 -1.81 0.00 0.00 61.98 59.18 2khj s VAL 22 Cb -0.01 -2.00 -0.02 0.00 0.56 0.00 0.00 36.38 34.91 2khj s VAL 22 CO -0.03 0.48 0.38 -1.81 -0.31 0.00 0.00 175.10 173.82 2khj s ASP 23 N -0.98 5.11 0.23 4.85 1.01 0.08 -4.91 116.67 122.05 2khj s ASP 23 Ca 0.12 -0.70 -0.07 0.00 0.71 0.00 0.00 52.55 52.60 2khj s ASP 23 Cb -0.10 -0.61 0.28 0.00 1.01 0.00 0.00 42.92 43.49 2khj s ASP 23 CO 0.02 -0.64 1.84 0.00 0.21 0.00 0.00 175.17 176.60 2khj h ALA 24 N 1.02 1.04 -0.03 5.23 0.00 -2.02 -2.17 119.26 122.33 2khj h ALA 24 Ca -0.42 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.49 2khj h ALA 24 Cb 1.27 -0.20 0.00 0.00 0.00 0.00 0.00 17.79 18.86 2khj h ALA 24 CO 0.57 0.20 0.00 1.17 0.00 0.00 0.00 179.25 181.19 2khj n LYS 25 N -4.68 1.24 -4.43 0.00 3.00 -1.26 -5.07 118.16 106.97 2khj n LYS 25 Ca 0.10 -1.47 -0.24 0.00 -0.00 0.00 0.00 58.31 56.70 2khj n LYS 25 Cb 0.16 -1.31 -0.09 0.00 0.00 0.00 0.00 35.03 33.79 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 -1.32 1.92 -0.03 3.14 0.00 -0.82 -2.72 107.32 107.49 2khj s GLY 26 Ca 0.19 -1.88 0.01 0.00 0.00 0.00 0.00 44.72 43.04 2khj s GLY 26 CO 0.20 -1.92 -0.04 0.00 0.00 0.00 0.00 173.10 171.34 2khj s ALA 27 N -2.49 0.54 -0.25 3.20 0.00 -0.90 -0.74 121.76 121.12 2khj s ALA 27 Ca 0.31 -0.02 -0.08 0.00 0.00 0.00 0.00 51.96 52.17 2khj s ALA 27 Cb -0.03 -0.34 -0.04 0.00 0.00 0.00 0.00 23.12 22.71 2khj s ALA 27 CO 0.17 0.00 0.10 0.99 0.00 0.00 0.00 175.76 177.02 2khj s THR 28 N 0.75 4.67 -0.09 0.00 2.01 0.15 -1.54 115.64 121.59 2khj s THR 28 Ca -0.09 -0.05 -0.02 0.00 0.31 0.00 0.00 61.69 61.84 2khj s THR 28 Cb -0.12 -3.19 -0.03 0.00 0.01 0.00 0.00 72.50 69.17 2khj s THR 28 CO -0.00 0.33 0.01 0.54 -0.69 0.00 0.00 174.62 174.81 2khj s VAL 29 N 1.45 4.35 -0.19 3.82 0.11 -1.16 -2.40 120.40 126.38 2khj s VAL 29 Ca 0.06 -0.23 -0.16 0.00 -2.93 0.00 0.00 61.98 58.72 2khj s VAL 29 Cb -0.15 -2.83 -0.04 0.00 -1.53 0.00 0.00 36.38 31.83 2khj s VAL 29 CO 0.05 0.60 0.38 -0.70 -3.33 0.00 0.00 175.10 172.10 2khj s GLU 30 N -0.83 4.20 0.00 1.54 2.12 0.13 -1.85 118.70 124.02 2khj s GLU 30 Ca 0.13 0.19 0.16 0.00 0.36 0.00 0.00 54.97 55.81 2khj s GLU 30 Cb -0.11 -3.51 0.07 0.00 0.26 0.00 0.00 34.13 30.84 2khj s GLU 30 CO 0.02 0.03 0.94 1.28 -0.54 0.00 0.00 175.26 177.00 2khj n LEU 31 N 4.22 2.03 -0.39 2.70 4.77 0.88 -0.69 117.00 130.51 2khj n LEU 31 Ca -0.09 -0.90 0.05 0.00 -0.03 0.00 0.00 56.01 55.04 2khj n LEU 31 Cb 0.51 0.00 -0.02 0.00 -2.33 0.00 0.00 43.42 41.58 2khj n LEU 31 CO 0.40 0.37 -0.16 0.00 -1.33 0.00 0.00 177.39 176.67 2khj n ALA 32 N 0.46 -1.03 -0.96 -1.18 0.00 -1.00 -4.73 120.51 112.08 2khj n ALA 32 Ca 0.08 0.24 0.00 0.00 0.00 0.00 0.00 53.44 53.76 2khj n ALA 32 Cb 0.37 -0.42 0.00 0.00 0.00 0.00 0.00 19.45 19.40 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 -2.72 -3.69 0.00 0.00 2.03 -1.26 -1.25 116.55 109.66 2khj n ASP 33 Ca -0.02 0.00 0.00 0.00 0.52 0.00 0.00 54.79 55.29 2khj n ASP 33 Cb 0.19 -1.87 0.00 0.00 -0.72 0.00 0.00 41.12 38.72 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 -1.18 1.02 3.84 0.27 0.00 -1.26 -5.04 105.19 102.84 2khj n GLY 34 Ca 0.00 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.65 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 4.98 0.14 1.61 1.01 -0.38 -3.89 120.40 121.87 2khj s VAL 35 Ca 0.00 0.82 0.07 0.00 0.00 0.00 0.00 61.98 62.87 2khj s VAL 35 Cb 0.00 -3.73 -0.04 0.00 0.00 0.00 0.00 36.38 32.61 2khj s VAL 35 CO 0.00 0.48 -0.15 -1.61 0.00 0.00 0.00 175.10 173.82 2khj s GLU 36 N -1.35 1.12 0.00 2.72 2.02 -1.26 -0.09 118.70 121.87 2khj s GLU 36 Ca 0.28 -1.32 0.00 0.00 0.02 0.00 0.00 54.97 53.95 2khj s GLU 36 Cb -0.16 -1.05 0.00 0.00 0.10 0.00 0.00 34.13 33.01 2khj s GLU 36 CO 0.16 0.20 0.00 0.41 0.02 0.00 0.00 175.26 176.05 2khj n GLY 37 N 0.39 3.59 3.69 -1.39 0.00 -0.77 -4.63 105.19 106.08 2khj n GLY 37 Ca -0.14 -0.68 -0.35 0.00 0.00 0.00 0.00 46.02 44.85 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 -1.41 3.18 -0.16 1.61 1.51 -1.23 -2.98 117.35 117.87 2khj s TYR 38 Ca 0.00 0.21 0.01 0.00 -1.01 0.00 0.00 57.07 56.28 2khj s TYR 38 Cb 0.00 -1.79 0.02 0.00 -0.11 0.00 0.00 41.96 40.08 2khj s TYR 38 CO 0.00 0.48 -0.17 -1.17 -1.11 0.00 0.00 175.55 173.59 2khj s LEU 39 N -0.90 1.87 0.12 -1.29 0.20 -0.59 -3.66 118.68 114.42 2khj s LEU 39 Ca 0.13 -0.55 -0.29 0.00 0.69 0.00 0.00 54.13 54.11 2khj s LEU 39 Cb -0.11 -1.31 -0.06 0.00 -0.43 0.00 0.00 46.19 44.28 2khj s LEU 39 CO 0.03 -0.03 0.93 -0.13 -0.29 0.00 0.00 176.35 176.85 2khj s ARG 40 N 1.40 4.68 0.37 1.98 1.81 -1.26 -2.12 118.95 125.81 2khj s ARG 40 Ca 0.05 1.40 0.19 0.00 -1.72 0.00 0.00 55.73 55.65 2khj s ARG 40 Cb -0.13 -3.36 0.62 0.00 -0.45 0.00 0.00 34.95 31.63 2khj s ARG 40 CO -0.12 0.26 1.70 0.00 -0.68 0.00 0.00 175.30 176.46 2khj h ALA 41 N 5.43 0.94 0.00 2.13 0.00 -1.85 -1.82 119.26 124.09 2khj h ALA 41 Ca -0.43 -0.34 0.00 0.00 0.00 0.00 0.00 54.91 54.14 2khj h ALA 41 Cb 1.21 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.94 2khj h ALA 41 CO 0.71 0.46 0.00 1.03 0.00 0.00 0.00 179.25 181.45 2khj h SER 42 N 0.00 0.00 0.00 0.00 0.87 -1.91 -2.46 113.55 110.04 2khj h SER 42 Ca -0.00 0.00 -0.20 0.00 -1.23 0.00 0.00 61.79 60.36 2khj h SER 42 Cb 0.95 0.00 -0.04 0.00 -0.44 0.00 0.00 62.40 62.88 2khj h SER 42 CO 0.05 0.00 -1.76 1.21 -0.53 0.00 0.00 176.83 175.80 2khj n GLU 43 N -2.92 1.42 -0.00 2.24 2.13 -1.19 -4.76 120.64 117.55 2khj n GLU 43 Ca 0.02 0.03 0.10 0.00 0.66 0.00 0.00 57.16 57.98 2khj n GLU 43 Cb 0.38 -1.28 -0.13 0.00 0.27 0.00 0.00 31.44 30.68 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 -2.62 4.10 -2.73 4.31 0.00 -0.69 -5.00 120.51 117.88 2khj n ALA 44 Ca -0.20 -0.57 -0.35 0.00 0.00 0.00 0.00 53.44 52.31 2khj n ALA 44 Cb 0.81 -0.77 -0.05 0.00 0.00 0.00 0.00 19.45 19.44 2khj n ALA 44 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.50 175.96 2khj s SER 45 N -3.51 6.53 -0.26 0.00 1.04 -0.93 -4.79 113.70 111.78 2khj s SER 45 Ca 0.03 0.61 -0.04 0.00 0.48 0.00 0.00 55.95 57.03 2khj s SER 45 Cb 0.15 -2.11 0.01 0.00 0.10 0.00 0.00 66.02 64.17 2khj s SER 45 CO 0.88 0.27 -0.01 -0.13 0.98 0.00 0.00 173.24 175.23 2khj s ARG 46 N -1.64 3.07 -0.68 4.02 0.52 -1.26 -4.92 118.95 118.06 2khj s ARG 46 Ca 0.26 -0.84 -0.23 0.00 -0.52 0.00 0.00 55.73 54.41 2khj s ARG 46 Cb -0.13 -3.11 0.07 0.00 0.52 0.00 0.00 34.95 32.29 2khj s ARG 46 CO 0.15 -0.36 1.00 -0.51 0.02 0.00 0.00 175.30 175.60 2khj s ASP 47 N 1.42 6.19 -0.50 0.23 1.01 -1.26 -4.08 116.67 119.67 2khj s ASP 47 Ca 0.02 -0.98 0.07 0.00 0.71 0.00 0.00 52.55 52.37 2khj s ASP 47 Cb -0.16 -2.43 0.19 0.00 1.01 0.00 0.00 42.92 41.53 2khj s ASP 47 CO -0.02 -1.47 0.68 -1.14 0.21 0.00 0.00 175.17 173.44 2khj n ARG 48 N 7.83 0.50 0.00 8.23 3.00 -1.26 -4.97 116.66 129.99 2khj n ARG 48 Ca -0.02 -2.19 0.00 0.00 -0.00 0.00 0.00 57.85 55.64 2khj n ARG 48 Cb 0.46 -1.50 0.00 0.00 0.00 0.00 0.00 32.46 31.42 2khj n ARG 48 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.63 177.91 2khj n VAL 49 N 2.86 0.00 -3.71 5.15 0.31 -1.26 -4.79 118.33 116.90 2khj n VAL 49 Ca 0.19 0.00 -0.31 0.00 -0.01 0.00 0.00 64.34 64.21 2khj n VAL 49 Cb 0.55 0.00 -0.04 0.00 -0.91 0.00 0.00 33.84 33.44 2khj n VAL 49 CO 0.00 0.00 0.00 -1.61 -1.32 0.00 0.00 176.83 173.90 2khj s GLU 50 N 0.00 3.59 0.00 5.55 0.41 -1.26 -5.06 118.70 121.92 2khj s GLU 50 Ca 0.00 -0.15 0.00 0.00 -0.41 0.00 0.00 54.97 54.41 2khj s GLU 50 Cb 0.00 -2.87 0.00 0.00 -1.78 0.00 0.00 34.13 29.48 2khj s GLU 50 CO 0.00 0.48 0.00 -0.25 -0.49 0.00 0.00 175.26 175.00 2khj n ASP 51 N 0.06 0.00 0.11 -0.19 9.92 -1.26 -4.27 116.55 120.92 2khj n ASP 51 Ca -0.03 0.00 0.05 0.00 -0.53 0.00 0.00 54.79 54.28 2khj n ASP 51 Cb 0.52 0.00 0.28 0.00 -0.64 0.00 0.00 41.12 41.27 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 0.74 0.21 2.24 0.00 -1.26 -0.99 120.51 118.45 2khj n ALA 52 Ca 0.00 0.09 0.08 0.00 0.00 0.00 0.00 53.44 53.62 2khj n ALA 52 Cb 0.00 -0.87 0.42 0.00 0.00 0.00 0.00 19.45 19.00 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 0.70 0.18 0.00 1.35 -1.88 -2.39 112.91 110.87 2khj h THR 53 Ca 0.00 -1.25 -0.24 0.00 -0.55 0.00 0.00 66.41 64.37 2khj h THR 53 Cb 0.36 1.80 0.03 0.00 -1.73 0.00 0.00 68.15 68.61 2khj h THR 53 CO 0.00 0.28 -1.08 0.25 -0.25 0.00 0.00 175.52 174.72 2khj h LEU 54 N 0.00 0.59 -2.44 3.87 5.85 -1.34 -3.41 115.31 118.44 2khj h LEU 54 Ca -0.00 -0.94 0.00 0.00 0.84 0.00 0.00 57.88 57.78 2khj h LEU 54 Cb 0.78 -0.19 0.00 0.00 0.37 0.00 0.00 40.66 41.62 2khj h LEU 54 CO 0.04 1.52 -0.13 0.55 -0.34 0.00 0.00 178.44 180.07 2khj n VAL 55 N -3.98 0.92 -4.36 1.05 3.14 -1.25 -4.92 118.33 108.93 2khj n VAL 55 Ca -0.16 -1.06 -0.21 0.00 -2.96 0.00 0.00 64.34 59.96 2khj n VAL 55 Cb 0.92 0.30 -0.16 0.00 -1.06 0.00 0.00 33.84 33.85 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 -1.28 1.67 -0.09 6.55 2.01 -0.90 -5.06 118.68 121.59 2khj s LEU 56 Ca 0.12 -0.19 -0.01 0.00 0.01 0.00 0.00 54.13 54.06 2khj s LEU 56 Cb 0.10 -0.56 -0.03 0.00 0.01 0.00 0.00 46.19 45.72 2khj s LEU 56 CO 0.01 0.03 -0.04 -0.94 1.01 0.00 0.00 176.35 176.43 2khj s SER 57 N 0.41 4.90 -0.10 2.29 1.04 -1.26 -4.25 113.70 116.73 2khj s SER 57 Ca -0.07 0.03 -0.30 0.00 0.48 0.00 0.00 55.95 56.10 2khj s SER 57 Cb -0.11 -1.36 -0.03 0.00 0.10 0.00 0.00 66.02 64.62 2khj s SER 57 CO 0.01 0.34 1.25 0.54 0.98 0.00 0.00 173.24 176.36 2khj s VAL 58 N -0.69 4.22 0.00 5.02 0.11 -1.26 -2.21 120.40 125.59 2khj s VAL 58 Ca 0.11 1.52 0.00 0.00 -2.93 0.00 0.00 61.98 60.67 2khj s VAL 58 Cb -0.12 -3.98 0.00 0.00 -1.53 0.00 0.00 36.38 30.76 2khj s VAL 58 CO 0.02 -0.06 0.00 0.61 -3.33 0.00 0.00 175.10 172.33 2khj n GLY 59 N 3.51 0.56 3.66 6.54 0.00 0.97 -4.98 105.19 115.45 2khj n GLY 59 Ca 0.13 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.84 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 -2.13 4.85 0.28 1.61 2.15 -0.94 -4.85 116.67 117.64 2khj s ASP 60 Ca 0.00 -0.23 -0.04 0.00 0.43 0.00 0.00 52.55 52.71 2khj s ASP 60 Cb 0.00 -1.10 -0.05 0.00 -0.30 0.00 0.00 42.92 41.47 2khj s ASP 60 CO 0.00 0.18 0.53 -1.61 -0.17 0.00 0.00 175.17 174.10 2khj s GLU 61 N -2.27 3.61 0.14 4.34 2.02 -1.26 -0.69 118.70 124.60 2khj s GLU 61 Ca 0.24 -0.05 0.02 0.00 0.02 0.00 0.00 54.97 55.21 2khj s GLU 61 Cb -0.12 -2.67 -0.04 0.00 0.10 0.00 0.00 34.13 31.40 2khj s GLU 61 CO 0.17 0.24 -0.04 0.14 0.02 0.00 0.00 175.26 175.78 2khj s VAL 62 N -2.06 0.81 -0.20 2.63 -7.23 -0.14 -4.96 120.40 109.24 2khj s VAL 62 Ca 0.43 -1.99 -0.01 0.00 -1.81 0.00 0.00 61.98 58.61 2khj s VAL 62 Cb -0.11 -1.92 0.01 0.00 0.56 0.00 0.00 36.38 34.92 2khj s VAL 62 CO 0.30 -0.66 -0.13 -1.61 -0.31 0.00 0.00 175.10 172.69 2khj s GLU 63 N -3.85 3.10 0.28 4.82 2.02 -1.26 -2.11 118.70 121.70 2khj s GLU 63 Ca 0.18 -0.78 0.03 0.00 0.02 0.00 0.00 54.97 54.43 2khj s GLU 63 Cb 0.05 -2.77 -0.06 0.00 0.10 0.00 0.00 34.13 31.45 2khj s GLU 63 CO 0.00 -0.23 0.04 0.00 0.02 0.00 0.00 175.26 175.10 2khj s ALA 64 N 1.36 2.08 -0.19 5.21 0.00 -0.24 -2.32 121.76 127.65 2khj s ALA 64 Ca 0.05 -1.93 -0.11 0.00 0.00 0.00 0.00 51.96 49.97 2khj s ALA 64 Cb -0.14 0.66 -0.05 0.00 0.00 0.00 0.00 23.12 23.59 2khj s ALA 64 CO -0.09 -0.31 0.16 0.21 0.00 0.00 0.00 175.76 175.73 2khj s LYS 65 N -3.90 4.18 -0.52 0.00 2.47 0.62 -0.77 119.74 121.81 2khj s LYS 65 Ca 0.34 -0.16 -0.18 0.00 -1.56 0.00 0.00 55.97 54.40 2khj s LYS 65 Cb 0.07 -3.41 0.08 0.00 -1.46 0.00 0.00 37.83 33.11 2khj s LYS 65 CO 0.13 0.30 0.59 0.12 0.16 0.00 0.00 175.35 176.66 2khj s PHE 66 N 0.34 3.09 -0.02 4.03 2.19 0.14 -2.06 117.98 125.69 2khj s PHE 66 Ca 0.10 -0.77 -0.02 0.00 0.33 0.00 0.00 56.93 56.57 2khj s PHE 66 Cb -0.11 -3.60 -0.01 0.00 -1.31 0.00 0.00 43.02 37.99 2khj s PHE 66 CO -0.01 -1.05 -0.03 0.25 1.83 0.00 0.00 175.22 176.21 2khj n THR 67 N 5.49 0.15 -3.83 0.12 -2.24 -1.04 0.34 114.28 113.27 2khj n THR 67 Ca -0.09 0.46 -0.07 0.00 -2.27 0.00 0.00 64.05 62.08 2khj n THR 67 Cb 0.44 -1.59 0.00 0.00 -2.10 0.00 0.00 70.33 67.08 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 -3.13 0.11 -0.00 3.38 0.00 -1.22 -4.39 107.32 102.07 2khj s GLY 68 Ca -0.03 -0.48 0.06 0.00 0.00 0.00 0.00 44.72 44.28 2khj s GLY 68 CO 0.04 -0.04 -0.19 0.54 0.00 0.00 0.00 173.10 173.45 2khj s VAL 69 N -3.07 1.49 -0.21 1.40 0.11 -1.26 -0.72 120.40 118.15 2khj s VAL 69 Ca 0.14 -0.89 -0.10 0.00 -2.93 0.00 0.00 61.98 58.20 2khj s VAL 69 Cb -0.05 -1.26 -0.05 0.00 -1.53 0.00 0.00 36.38 33.49 2khj s VAL 69 CO 0.09 0.35 0.12 -1.81 -3.33 0.00 0.00 175.10 170.52 2khj s ASP 70 N -0.62 6.03 0.54 3.54 1.01 -1.16 -4.98 116.67 121.03 2khj s ASP 70 Ca 0.07 0.14 0.33 0.00 0.71 0.00 0.00 52.55 53.81 2khj s ASP 70 Cb -0.08 -2.06 1.51 0.00 1.01 0.00 0.00 42.92 43.30 2khj s ASP 70 CO -0.00 0.13 1.85 0.08 0.21 0.00 0.00 175.17 177.44 2khj h ARG 71 N 7.02 0.00 0.00 8.23 -0.00 -1.97 -1.98 114.38 125.68 2khj h ARG 71 Ca -0.39 0.00 -0.05 0.00 -0.00 0.00 0.00 59.98 59.54 2khj h ARG 71 Cb 1.16 0.00 -0.01 0.00 -0.00 0.00 0.00 29.97 31.12 2khj h ARG 71 CO 0.71 0.00 -0.26 1.57 -0.00 0.00 0.00 179.97 181.99 2khj h LYS 72 N 0.00 0.00 0.00 0.08 2.10 -1.96 -3.17 116.57 113.62 2khj h LYS 72 Ca 0.47 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 59.12 2khj h LYS 72 Cb 1.92 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 33.25 2khj h LYS 72 CO -0.00 0.26 -1.32 0.09 -2.00 0.00 0.00 179.45 176.47 2khj n ASN 73 N -3.41 0.78 -2.64 7.07 3.02 -0.75 -4.97 115.26 114.36 2khj n ASN 73 Ca 0.00 -0.50 -0.12 0.00 -0.03 0.00 0.00 54.58 53.93 2khj n ASN 73 Cb 0.45 1.40 -0.01 0.00 -0.61 0.00 0.00 39.78 41.01 2khj n ASN 73 CO 0.00 0.00 0.00 -2.11 -2.62 0.00 0.00 177.26 172.53 2khj n ARG 74 N -1.76 -2.59 -4.21 3.52 1.85 -1.16 -4.93 116.66 107.38 2khj n ARG 74 Ca 0.00 0.44 -0.12 0.00 -1.00 0.00 0.00 57.85 57.17 2khj n ARG 74 Cb 0.38 -5.03 -0.10 0.00 -1.05 0.00 0.00 32.46 26.66 2khj n ARG 74 CO 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 177.63 177.62 2khj s ALA 75 N -2.54 1.19 -0.05 2.89 0.00 -1.25 -3.66 121.76 118.33 2khj s ALA 75 Ca 0.08 -1.47 -0.12 0.00 0.00 0.00 0.00 51.96 50.45 2khj s ALA 75 Cb -0.04 0.31 -0.05 0.00 0.00 0.00 0.00 23.12 23.34 2khj s ALA 75 CO 0.10 -0.26 0.32 0.96 0.00 0.00 0.00 175.76 176.88 2khj s ILE 76 N -3.61 5.20 -0.12 0.00 -4.36 -1.26 -2.98 121.20 114.07 2khj s ILE 76 Ca 0.18 0.62 -0.01 0.00 -0.26 0.00 0.00 60.65 61.18 2khj s ILE 76 Cb 0.05 -3.61 -0.03 0.00 1.25 0.00 0.00 42.46 40.13 2khj s ILE 76 CO -0.00 0.58 -0.07 -0.44 0.24 0.00 0.00 174.94 175.25 2khj s SER 77 N -0.97 4.60 0.05 4.36 0.01 0.11 -3.53 113.70 118.33 2khj s SER 77 Ca 0.21 -0.12 0.06 0.00 1.31 0.00 0.00 55.95 57.40 2khj s SER 77 Cb -0.15 -1.52 -0.02 0.00 0.21 0.00 0.00 66.02 64.53 2khj s SER 77 CO 0.10 0.24 -0.17 -0.76 0.41 0.00 0.00 173.24 173.06 2khj s LEU 78 N -0.08 2.18 -0.19 2.44 1.43 -1.24 -2.49 118.68 120.73 2khj s LEU 78 Ca 0.01 -0.50 -0.06 0.00 -1.03 0.00 0.00 54.13 52.55 2khj s LEU 78 Cb -0.13 -0.73 -0.03 0.00 0.03 0.00 0.00 46.19 45.33 2khj s LEU 78 CO 0.03 0.07 0.02 -0.94 0.23 0.00 0.00 176.35 175.75 2khj s SER 79 N -1.23 5.09 0.47 2.29 1.04 -0.87 -4.10 113.70 116.38 2khj s SER 79 Ca 0.04 -0.10 0.13 0.00 0.48 0.00 0.00 55.95 56.49 2khj s SER 79 Cb -0.08 -1.87 0.68 0.00 0.10 0.00 0.00 66.02 64.85 2khj s SER 79 CO 0.02 0.11 1.30 0.58 0.98 0.00 0.00 173.24 176.22 2khj h VAL 80 N 5.20 0.00 0.17 5.02 2.07 -1.85 0.18 116.25 127.03 2khj h VAL 80 Ca -0.35 0.00 -0.23 0.00 0.82 0.00 0.00 66.70 66.94 2khj h VAL 80 Cb 1.18 0.28 0.02 0.00 -1.52 0.00 0.00 31.29 31.25 2khj h VAL 80 CO 0.64 0.00 -1.03 -0.09 0.02 0.00 0.00 177.57 177.11 2khj h ARG 81 N 0.00 0.36 0.00 1.57 9.65 -1.84 -3.37 114.38 120.75 2khj h ARG 81 Ca 0.00 -0.61 0.00 0.00 -1.10 0.00 0.00 59.98 58.27 2khj h ARG 81 Cb 1.03 0.23 0.00 0.00 -1.39 0.00 0.00 29.97 29.84 2khj h ARG 81 CO 0.00 1.29 0.00 0.00 2.80 0.00 0.00 179.97 184.06 2khj n ALA 82 N -2.70 0.00 -2.60 2.80 0.00 -0.98 -4.86 120.51 112.16 2khj n ALA 82 Ca -0.15 0.00 -0.04 0.00 0.00 0.00 0.00 53.44 53.25 2khj n ALA 82 Cb 0.90 0.00 0.05 0.00 0.00 0.00 0.00 19.45 20.40 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 -2.00 1.89 0.00 0.00 2.85 -1.26 -4.88 118.16 114.76 2khj n LYS 83 Ca 0.00 -3.46 0.00 0.00 -1.05 0.00 0.00 58.31 53.80 2khj n LYS 83 Cb 0.00 -1.55 0.00 0.00 -0.65 0.00 0.00 35.03 32.83 2khj n LYS 83 CO 0.00 0.00 0.00 -3.47 -0.05 0.00 0.00 177.40 173.88 2khj n ASP 84 N -0.51 0.00 0.00 -5.58 2.03 -1.26 -4.40 116.55 106.83 2khj n ASP 84 Ca 0.15 0.00 0.00 0.00 0.52 0.00 0.00 54.79 55.46 2khj n ASP 84 Cb 0.87 0.00 0.00 0.00 -0.72 0.00 0.00 41.12 41.27 2khj n ASP 84 CO 0.00 0.00 0.00 -0.62 -1.92 0.00 0.00 177.20 174.66 2khj n GLU 85 N 0.00 0.00 -0.79 -0.67 -0.58 -1.26 -4.72 120.64 112.61 2khj n GLU 85 Ca 0.00 0.00 0.00 0.00 -0.42 0.00 0.00 57.16 56.74 2khj n GLU 85 Cb 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 31.44 30.87 2khj n GLU 85 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 2khj n ALA 86 N -1.40 0.00 0.60 0.62 0.00 -1.26 -4.90 120.51 114.16 2khj n ALA 86 Ca 0.00 0.00 0.12 0.00 0.00 0.00 0.00 53.44 53.56 2khj n ALA 86 Cb 0.00 0.00 0.25 0.00 0.00 0.00 0.00 19.45 19.70 2khj n ALA 86 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 2khj n ASP 87 N 0.00 2.97 0.00 0.00 8.00 -1.26 -4.92 116.55 121.33 2khj n ASP 87 Ca 0.00 -1.92 0.00 0.00 0.71 0.00 0.00 54.79 53.58 2khj n ASP 87 Cb 0.00 -0.20 0.00 0.00 -0.02 0.00 0.00 41.12 40.90 2khj n ASP 87 CO 0.00 0.00 0.00 1.21 -0.39 0.00 0.00 177.20 178.02 2khj n GLU 88 N 1.18 0.00 0.00 -1.24 2.13 -1.26 -5.30 120.64 116.15 2khj n GLU 88 Ca 0.18 0.00 0.00 0.00 0.66 0.00 0.00 57.16 58.00 2khj n GLU 88 Cb 0.53 0.00 0.00 0.00 0.27 0.00 0.00 31.44 32.24 2khj n GLU 88 CO 0.00 0.00 0.00 1.63 -0.41 0.00 0.00 177.13 178.35