#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 -1.03 1.12 -0.00 -1.87 -3.23 116.94 111.93 2khj h PHE 2 Ca 0.00 0.00 0.28 0.00 -0.00 0.00 0.00 57.97 58.25 2khj h PHE 2 Cb 0.00 0.00 -0.07 0.00 -0.00 0.00 0.00 35.95 35.88 2khj h PHE 2 CO 0.00 0.28 0.70 -2.95 -0.00 0.00 0.00 178.31 176.34 2khj h ASN 3 N 0.00 0.23 0.02 -0.68 7.08 -1.98 0.28 115.58 120.55 2khj h ASN 3 Ca -0.00 0.04 -0.00 0.00 -3.08 0.00 0.00 56.30 53.25 2khj h ASN 3 Cb 0.52 0.00 0.00 0.00 -2.08 0.00 0.00 38.32 36.76 2khj h ASN 3 CO 0.04 0.06 -0.01 0.78 -2.08 0.00 0.00 177.43 176.21 2khj h ASN 4 N 0.21 -0.03 -0.65 6.14 4.21 -1.91 -3.41 115.58 120.14 2khj h ASN 4 Ca 0.53 -0.64 0.12 0.00 1.21 0.00 0.00 56.30 57.52 2khj h ASN 4 Cb 1.70 0.01 -0.04 0.00 -1.12 0.00 0.00 38.32 38.86 2khj h ASN 4 CO -0.14 0.76 0.43 -0.25 -1.29 0.00 0.00 177.43 176.94 2khj h TRP 5 N -0.95 0.41 -1.01 1.19 7.01 -1.21 -3.29 115.95 118.10 2khj h TRP 5 Ca -0.00 0.01 0.29 0.00 2.11 0.00 0.00 58.89 61.30 2khj h TRP 5 Cb 0.67 -0.13 -0.05 0.00 -2.10 0.00 0.00 29.16 27.55 2khj h TRP 5 CO 0.17 0.18 0.72 -0.24 -2.79 0.00 0.00 178.44 176.49 2khj h VAL 6 N 0.38 0.50 0.00 2.65 3.04 -0.74 0.43 116.25 122.50 2khj h VAL 6 Ca 0.31 -0.02 -0.02 0.00 -1.01 0.00 0.00 66.70 65.96 2khj h VAL 6 Cb 0.69 0.45 -0.00 0.00 -2.01 0.00 0.00 31.29 30.41 2khj h VAL 6 CO -0.08 0.01 -0.08 0.00 -1.01 0.00 0.00 177.57 176.40 2khj h ALA 7 N 1.51 0.99 0.06 3.17 0.00 -1.85 -3.36 119.26 119.77 2khj h ALA 7 Ca 0.49 -0.07 -0.38 0.00 0.00 0.00 0.00 54.91 54.95 2khj h ALA 7 Cb 1.88 -0.01 -0.05 0.00 0.00 0.00 0.00 17.79 19.61 2khj h ALA 7 CO -0.04 0.10 -2.25 1.28 0.00 0.00 0.00 179.25 178.34 2khj n LEU 8 N -3.17 2.76 -4.28 0.00 4.77 0.13 -5.06 117.00 112.15 2khj n LEU 8 Ca 0.01 0.03 -0.19 0.00 -0.03 0.00 0.00 56.01 55.83 2khj n LEU 8 Cb 0.41 -0.98 -0.11 0.00 -2.33 0.00 0.00 43.42 40.41 2khj n LEU 8 CO 0.31 0.89 -0.46 0.54 -1.33 0.00 0.00 177.39 177.34 2khj s ASN 9 N -6.74 2.28 0.01 -1.43 6.03 -1.17 -5.17 114.94 108.75 2khj s ASN 9 Ca -0.29 -0.87 0.01 0.00 -1.03 0.00 0.00 52.86 50.69 2khj s ASN 9 Cb 0.08 -0.10 -0.04 0.00 -3.03 0.00 0.00 41.25 38.16 2khj s ASN 9 CO 0.68 -0.13 0.04 -1.59 -2.03 0.00 0.00 177.10 174.08 2khj s LYS 10 N -2.91 2.90 0.42 3.55 0.00 -1.26 -4.71 119.74 117.72 2khj s LYS 10 Ca 0.13 -0.58 -0.24 0.00 0.00 0.00 0.00 55.97 55.29 2khj s LYS 10 Cb -0.04 -2.75 -0.08 0.00 0.00 0.00 0.00 37.83 34.96 2khj s LYS 10 CO 0.04 0.62 1.11 0.15 0.00 0.00 0.00 175.35 177.28 2khj s LYS 11 N -1.77 4.01 0.00 1.78 1.02 -1.26 -4.08 119.74 119.44 2khj s LYS 11 Ca 0.22 1.66 0.00 0.00 0.02 0.00 0.00 55.97 57.88 2khj s LYS 11 Cb -0.12 -2.52 0.00 0.00 -0.52 0.00 0.00 37.83 34.67 2khj s LYS 11 CO 0.14 -0.31 0.00 0.41 -0.92 0.00 0.00 175.35 174.66 2khj n GLY 12 N 0.44 0.54 3.77 -3.33 0.00 0.28 -4.94 105.19 101.95 2khj n GLY 12 Ca 0.06 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.71 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 3.70 -0.03 4.61 0.00 -1.23 -4.85 121.76 121.95 2khj s ALA 13 Ca 0.00 -0.55 -0.20 0.00 0.00 0.00 0.00 51.96 51.21 2khj s ALA 13 Cb 0.00 -2.23 -0.05 0.00 0.00 0.00 0.00 23.12 20.84 2khj s ALA 13 CO 0.00 0.26 0.56 0.42 0.00 0.00 0.00 175.76 177.00 2khj s ILE 14 N -0.03 4.99 0.01 0.00 -1.09 -1.26 -1.97 121.20 121.84 2khj s ILE 14 Ca 0.14 1.16 -0.03 0.00 -2.23 0.00 0.00 60.65 59.69 2khj s ILE 14 Cb -0.12 -3.90 -0.01 0.00 -1.58 0.00 0.00 42.46 36.85 2khj s ILE 14 CO 0.03 0.40 0.04 -0.69 -1.23 0.00 0.00 174.94 173.49 2khj s VAL 15 N -0.01 0.10 -0.15 2.92 1.01 -0.15 -4.94 120.40 119.18 2khj s VAL 15 Ca 0.30 -0.80 -0.03 0.00 0.00 0.00 0.00 61.98 61.45 2khj s VAL 15 Cb -0.17 -0.33 -0.02 0.00 0.00 0.00 0.00 36.38 35.85 2khj s VAL 15 CO 0.15 -0.44 -0.06 0.28 0.00 0.00 0.00 175.10 175.04 2khj s THR 16 N -1.40 3.73 0.35 3.92 -1.32 -1.26 -0.87 115.64 118.78 2khj s THR 16 Ca -0.15 -0.42 0.04 0.00 -1.21 0.00 0.00 61.69 59.95 2khj s THR 16 Cb -0.09 -2.62 -0.06 0.00 -1.51 0.00 0.00 72.50 68.22 2khj s THR 16 CO 0.00 0.50 0.05 -0.83 -2.21 0.00 0.00 174.62 172.13 2khj s GLY 17 N 0.36 2.20 0.00 6.08 0.00 -0.29 -4.84 107.32 110.85 2khj s GLY 17 Ca -0.05 -2.03 0.03 0.00 0.00 0.00 0.00 44.72 42.66 2khj s GLY 17 CO 0.03 -1.88 -0.06 -1.59 0.00 0.00 0.00 173.10 169.60 2khj s LYS 18 N -3.85 2.56 -0.15 2.90 -2.85 0.88 -0.86 119.74 118.37 2khj s LYS 18 Ca 0.35 -0.72 -0.25 0.00 -1.00 0.00 0.00 55.97 54.35 2khj s LYS 18 Cb 0.09 -2.51 -0.02 0.00 -2.06 0.00 0.00 37.83 33.33 2khj s LYS 18 CO 0.16 0.60 0.81 0.08 0.10 0.00 0.00 175.35 177.10 2khj s VAL 19 N -1.01 4.90 -0.01 1.79 1.01 -0.01 0.54 120.40 127.61 2khj s VAL 19 Ca 0.17 1.61 0.00 0.00 0.00 0.00 0.00 61.98 63.76 2khj s VAL 19 Cb -0.11 -4.12 -0.01 0.00 0.00 0.00 0.00 36.38 32.13 2khj s VAL 19 CO 0.08 0.06 -0.00 0.35 0.00 0.00 0.00 175.10 175.58 2khj n THR 20 N 4.60 0.07 -3.58 3.92 -2.24 -0.89 0.26 114.28 116.42 2khj n THR 20 Ca 0.04 -0.03 -0.11 0.00 -2.27 0.00 0.00 64.05 61.67 2khj n THR 20 Cb 0.49 -0.74 -0.05 0.00 -2.10 0.00 0.00 70.33 67.93 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 -2.03 -1.93 0.07 6.98 0.00 -1.24 -4.93 121.76 118.69 2khj s ALA 21 Ca -0.01 1.60 0.08 0.00 0.00 0.00 0.00 51.96 53.64 2khj s ALA 21 Cb 0.00 -0.75 -0.03 0.00 0.00 0.00 0.00 23.12 22.34 2khj s ALA 21 CO 0.04 -0.30 -0.21 0.14 0.00 0.00 0.00 175.76 175.42 2khj s VAL 22 N -0.96 2.62 0.40 0.00 -7.23 -1.26 -0.68 120.40 113.29 2khj s VAL 22 Ca -0.02 -1.37 0.08 0.00 -1.81 0.00 0.00 61.98 58.86 2khj s VAL 22 Cb -0.01 -2.12 -0.02 0.00 0.56 0.00 0.00 36.38 34.79 2khj s VAL 22 CO 0.01 0.25 0.39 -1.81 -0.31 0.00 0.00 175.10 173.64 2khj s ASP 23 N -1.65 5.17 0.28 4.85 1.01 -0.12 -4.92 116.67 121.28 2khj s ASP 23 Ca 0.15 -0.66 0.01 0.00 0.71 0.00 0.00 52.55 52.75 2khj s ASP 23 Cb -0.10 -0.65 0.56 0.00 1.01 0.00 0.00 42.92 43.74 2khj s ASP 23 CO 0.06 -0.62 1.80 0.00 0.21 0.00 0.00 175.17 176.62 2khj h ALA 24 N 1.01 1.43 -0.02 5.23 0.00 -2.02 -1.03 119.26 123.87 2khj h ALA 24 Ca -0.42 0.05 0.00 0.00 0.00 0.00 0.00 54.91 54.54 2khj h ALA 24 Cb 1.27 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 18.93 2khj h ALA 24 CO 0.56 0.07 0.00 0.36 0.00 0.00 0.00 179.25 180.24 2khj n LYS 25 N -4.73 1.22 -4.46 0.00 2.85 -1.26 -5.08 118.16 106.70 2khj n LYS 25 Ca 0.19 -1.46 -0.23 0.00 -1.05 0.00 0.00 58.31 55.76 2khj n LYS 25 Cb 0.41 -1.31 -0.10 0.00 -0.65 0.00 0.00 35.03 33.38 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 1.89 -0.03 2.58 0.00 -0.39 -3.59 107.32 106.45 2khj s GLY 26 Ca 0.19 -1.91 -0.01 0.00 0.00 0.00 0.00 44.72 42.98 2khj s GLY 26 CO 0.20 -1.92 0.07 0.00 0.00 0.00 0.00 173.10 171.45 2khj s ALA 27 N -2.76 -0.07 -0.17 3.20 0.00 -0.77 -0.95 121.76 120.25 2khj s ALA 27 Ca 0.29 0.39 -0.05 0.00 0.00 0.00 0.00 51.96 52.59 2khj s ALA 27 Cb 0.00 -0.28 -0.03 0.00 0.00 0.00 0.00 23.12 22.81 2khj s ALA 27 CO 0.13 -0.11 0.01 0.99 0.00 0.00 0.00 175.76 176.79 2khj s THR 28 N 0.90 4.28 0.01 0.00 2.01 0.14 -0.46 115.64 122.52 2khj s THR 28 Ca -0.07 -0.22 0.05 0.00 0.31 0.00 0.00 61.69 61.77 2khj s THR 28 Cb -0.10 -2.91 -0.03 0.00 0.01 0.00 0.00 72.50 69.47 2khj s THR 28 CO -0.03 0.47 -0.14 0.54 -0.69 0.00 0.00 174.62 174.77 2khj s VAL 29 N 0.47 3.09 -0.28 3.82 0.11 -1.21 -2.09 120.40 124.31 2khj s VAL 29 Ca -0.00 -0.98 -0.09 0.00 -2.93 0.00 0.00 61.98 57.97 2khj s VAL 29 Cb -0.14 -2.30 -0.02 0.00 -1.53 0.00 0.00 36.38 32.39 2khj s VAL 29 CO 0.02 0.40 0.13 -0.70 -3.33 0.00 0.00 175.10 171.62 2khj s GLU 30 N -1.31 3.58 0.28 1.54 2.12 0.19 -1.98 118.70 123.11 2khj s GLU 30 Ca 0.15 -0.55 0.22 0.00 0.36 0.00 0.00 54.97 55.15 2khj s GLU 30 Cb -0.11 -3.51 0.11 0.00 0.26 0.00 0.00 34.13 30.88 2khj s GLU 30 CO 0.05 -0.29 1.23 -0.07 -0.54 0.00 0.00 175.26 175.65 2khj h LEU 31 N 8.32 0.00 0.00 2.70 3.38 -1.29 0.25 115.31 128.67 2khj h LEU 31 Ca -0.35 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.62 2khj h LEU 31 Cb 1.17 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.92 2khj h LEU 31 CO 0.59 0.06 0.00 0.00 0.09 0.00 0.00 178.44 179.18 2khj n ALA 32 N -2.17 0.00 -0.95 1.53 0.00 -1.04 -4.82 120.51 113.06 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 0.57 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.02 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 -2.27 -2.74 0.00 0.00 2.03 -1.26 -2.48 116.55 109.82 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 -1.22 0.00 0.00 -0.72 0.00 0.00 41.12 39.18 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 -1.85 1.13 3.70 0.27 0.00 -1.26 -5.02 105.19 102.17 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 -2.00 4.88 0.13 1.61 1.01 -1.04 -3.69 120.40 121.31 2khj s VAL 35 Ca 0.00 -0.01 0.07 0.00 0.00 0.00 0.00 61.98 62.04 2khj s VAL 35 Cb 0.00 -3.16 -0.04 0.00 0.00 0.00 0.00 36.38 33.18 2khj s VAL 35 CO 0.00 0.52 -0.16 -1.61 0.00 0.00 0.00 175.10 173.85 2khj s GLU 36 N -0.18 1.10 0.00 2.72 2.02 -1.26 -0.85 118.70 122.25 2khj s GLU 36 Ca 0.08 -1.28 0.00 0.00 0.02 0.00 0.00 54.97 53.79 2khj s GLU 36 Cb -0.12 -1.07 0.00 0.00 0.10 0.00 0.00 34.13 33.04 2khj s GLU 36 CO 0.01 0.22 0.00 0.41 0.02 0.00 0.00 175.26 175.92 2khj n GLY 37 N 0.53 3.13 3.68 -1.39 0.00 -0.84 -4.74 105.19 105.56 2khj n GLY 37 Ca -0.15 -0.58 -0.35 0.00 0.00 0.00 0.00 46.02 44.94 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 -1.84 3.17 -0.10 1.61 5.04 -1.26 -3.29 117.35 120.69 2khj s TYR 38 Ca 0.00 0.18 0.02 0.00 -2.44 0.00 0.00 57.07 54.83 2khj s TYR 38 Cb 0.00 -1.81 0.01 0.00 0.35 0.00 0.00 41.96 40.51 2khj s TYR 38 CO 0.00 0.44 -0.16 -1.17 -1.34 0.00 0.00 175.55 173.32 2khj s LEU 39 N -0.77 1.79 0.11 6.97 1.98 0.39 -4.63 118.68 124.52 2khj s LEU 39 Ca 0.12 -0.43 -0.30 0.00 -2.89 0.00 0.00 54.13 50.64 2khj s LEU 39 Cb -0.12 -1.10 -0.06 0.00 0.66 0.00 0.00 46.19 45.57 2khj s LEU 39 CO 0.02 0.05 0.94 -0.13 -1.89 0.00 0.00 176.35 175.34 2khj s ARG 40 N 0.79 4.69 0.26 1.98 3.00 -1.26 -1.84 118.95 126.57 2khj s ARG 40 Ca -0.11 1.42 0.08 0.00 0.00 0.00 0.00 55.73 57.13 2khj s ARG 40 Cb -0.16 -3.37 0.33 0.00 0.00 0.00 0.00 34.95 31.75 2khj s ARG 40 CO 0.02 0.24 1.60 0.00 0.00 0.00 0.00 175.30 177.16 2khj h ALA 41 N 5.47 0.94 0.14 2.13 0.00 -1.87 -3.17 119.26 122.90 2khj h ALA 41 Ca -0.43 -0.55 -0.29 0.00 0.00 0.00 0.00 54.91 53.64 2khj h ALA 41 Cb 1.21 -0.09 0.02 0.00 0.00 0.00 0.00 17.79 18.93 2khj h ALA 41 CO 0.71 0.75 -1.26 0.66 0.00 0.00 0.00 179.25 180.12 2khj h SER 42 N 0.06 0.66 1.44 0.00 4.64 -1.93 -0.27 113.55 118.14 2khj h SER 42 Ca -0.01 -0.65 -0.08 0.00 -0.47 0.00 0.00 61.79 60.59 2khj h SER 42 Cb 1.09 -0.21 -0.01 0.00 -0.31 0.00 0.00 62.40 62.96 2khj h SER 42 CO 0.08 1.49 -0.57 -0.33 -0.87 0.00 0.00 176.83 176.63 2khj h GLU 43 N 0.17 0.00 -3.20 4.77 4.39 -1.98 -3.39 114.58 115.33 2khj h GLU 43 Ca -0.17 0.00 -0.70 0.00 0.34 0.00 0.00 59.36 58.84 2khj h GLU 43 Cb 1.95 0.00 -0.36 0.00 -0.10 0.00 0.00 28.75 30.23 2khj h GLU 43 CO 0.22 0.29 -0.12 0.00 -1.16 0.00 0.00 179.01 178.24 2khj n ALA 44 N -2.22 3.86 -1.71 3.43 0.00 -1.20 -4.89 120.51 117.78 2khj n ALA 44 Ca 0.00 -4.62 0.00 0.00 0.00 0.00 0.00 53.44 48.83 2khj n ALA 44 Cb 0.68 -1.62 0.00 0.00 0.00 0.00 0.00 19.45 18.51 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 2.12 0.00 -0.26 0.00 3.41 -1.26 -2.91 113.62 114.72 2khj n SER 45 Ca 0.22 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.83 2khj n SER 45 Cb 0.37 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.32 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 0.00 4.33 0.63 -1.26 -4.91 116.66 115.45 2khj n ARG 46 Ca 0.00 0.00 0.00 0.00 -0.92 0.00 0.00 57.85 56.93 2khj n ARG 46 Cb 0.00 -1.40 0.00 0.00 0.45 0.00 0.00 32.46 31.51 2khj n ARG 46 CO 0.00 0.00 0.00 -0.40 -2.51 0.00 0.00 177.63 174.72 2khj n ASP 47 N 0.83 0.00 0.00 6.15 5.68 -1.26 -5.17 116.55 122.78 2khj n ASP 47 Ca 0.00 0.00 0.00 0.00 -0.50 0.00 0.00 54.79 54.29 2khj n ASP 47 Cb 0.27 0.00 0.00 0.00 -1.14 0.00 0.00 41.12 40.25 2khj n ASP 47 CO 0.00 0.00 0.00 -1.14 -1.33 0.00 0.00 177.20 174.73 2khj n ARG 48 N 0.00 0.00 -0.36 0.11 0.63 -1.26 -5.06 116.66 110.73 2khj n ARG 48 Ca 0.00 0.00 0.10 0.00 -0.92 0.00 0.00 57.85 57.03 2khj n ARG 48 Cb 0.00 0.00 0.29 0.00 0.45 0.00 0.00 32.46 33.20 2khj n ARG 48 CO 0.00 0.00 0.00 0.28 -2.51 0.00 0.00 177.63 175.40 2khj h VAL 49 N 0.00 0.80 -3.34 5.15 2.07 -2.05 -3.32 116.25 115.56 2khj h VAL 49 Ca 0.00 -0.30 -0.65 0.00 0.82 0.00 0.00 66.70 66.57 2khj h VAL 49 Cb 0.00 -0.14 -0.23 0.00 -1.52 0.00 0.00 31.29 29.39 2khj h VAL 49 CO 0.00 0.16 -0.71 -1.61 0.02 0.00 0.00 177.57 175.43 2khj s GLU 50 N -5.90 3.49 0.00 1.57 8.01 -1.26 -5.06 118.70 119.55 2khj s GLU 50 Ca -0.12 -0.58 0.00 0.00 0.01 0.00 0.00 54.97 54.28 2khj s GLU 50 Cb 0.24 -2.78 0.00 0.00 -4.31 0.00 0.00 34.13 27.28 2khj s GLU 50 CO 0.81 0.27 0.00 -0.40 0.01 0.00 0.00 175.26 175.94 2khj n ASP 51 N 3.42 0.00 0.10 -0.19 5.68 -1.25 -4.55 116.55 119.76 2khj n ASP 51 Ca -0.18 0.00 0.04 0.00 -0.50 0.00 0.00 54.79 54.15 2khj n ASP 51 Cb 0.53 0.00 0.22 0.00 -1.14 0.00 0.00 41.12 40.72 2khj n ASP 51 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 2khj n ALA 52 N -3.00 0.59 0.16 2.12 0.00 -0.11 -1.98 120.51 118.29 2khj n ALA 52 Ca 0.00 0.07 0.03 0.00 0.00 0.00 0.00 53.44 53.55 2khj n ALA 52 Cb 0.00 -0.69 0.17 0.00 0.00 0.00 0.00 19.45 18.93 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 0.95 0.19 0.00 2.02 -1.85 -2.76 112.91 111.46 2khj h THR 53 Ca 0.00 -1.97 -0.27 0.00 0.77 0.00 0.00 66.41 64.95 2khj h THR 53 Cb 0.55 2.21 0.03 0.00 -1.74 0.00 0.00 68.15 69.19 2khj h THR 53 CO 0.00 0.47 -1.19 0.25 0.37 0.00 0.00 175.52 175.42 2khj h LEU 54 N 0.00 0.64 -3.07 2.58 6.46 -1.64 -3.40 115.31 116.88 2khj h LEU 54 Ca -0.00 -0.93 0.00 0.00 -0.12 0.00 0.00 57.88 56.82 2khj h LEU 54 Cb 1.17 -0.21 0.00 0.00 -0.73 0.00 0.00 40.66 40.89 2khj h LEU 54 CO 0.06 1.57 0.00 1.33 -0.62 0.00 0.00 178.44 180.78 2khj n VAL 55 N -3.91 1.71 -4.39 1.05 0.24 -1.25 -4.93 118.33 106.84 2khj n VAL 55 Ca -0.16 -1.68 -0.21 0.00 -2.04 0.00 0.00 64.34 60.24 2khj n VAL 55 Cb 0.96 0.02 -0.16 0.00 -1.47 0.00 0.00 33.84 33.20 2khj n VAL 55 CO 0.00 0.00 0.00 -0.76 -2.14 0.00 0.00 176.83 173.93 2khj s LEU 56 N -2.19 1.64 0.26 1.34 1.43 -1.04 -5.08 118.68 115.04 2khj s LEU 56 Ca 0.28 -0.20 0.07 0.00 -1.03 0.00 0.00 54.13 53.25 2khj s LEU 56 Cb 0.22 -0.60 -0.03 0.00 0.03 0.00 0.00 46.19 45.81 2khj s LEU 56 CO 0.07 0.03 0.25 -0.44 0.23 0.00 0.00 176.35 176.49 2khj s SER 57 N 0.49 5.71 -0.12 2.29 0.01 -1.26 -4.77 113.70 116.05 2khj s SER 57 Ca -0.08 -0.19 -0.29 0.00 1.31 0.00 0.00 55.95 56.69 2khj s SER 57 Cb -0.12 -1.48 -0.02 0.00 0.21 0.00 0.00 66.02 64.61 2khj s SER 57 CO 0.01 -0.08 1.27 0.54 0.41 0.00 0.00 173.24 175.40 2khj s VAL 58 N -2.11 4.21 0.00 3.43 0.11 -1.26 -2.59 120.40 122.18 2khj s VAL 58 Ca 0.34 1.49 0.00 0.00 -2.93 0.00 0.00 61.98 60.88 2khj s VAL 58 Cb -0.08 -3.96 0.00 0.00 -1.53 0.00 0.00 36.38 30.81 2khj s VAL 58 CO 0.26 -0.09 0.00 0.61 -3.33 0.00 0.00 175.10 172.55 2khj n GLY 59 N 3.58 0.57 3.77 6.54 0.00 0.14 -4.99 105.19 114.79 2khj n GLY 59 Ca 0.13 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.78 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 6.52 0.11 1.61 2.15 -1.07 -4.82 116.67 119.01 2khj s ASP 60 Ca 0.00 0.62 -0.05 0.00 0.43 0.00 0.00 52.55 53.55 2khj s ASP 60 Cb 0.00 -2.19 -0.05 0.00 -0.30 0.00 0.00 42.92 40.38 2khj s ASP 60 CO 0.00 0.18 0.34 -1.61 -0.17 0.00 0.00 175.17 173.91 2khj s GLU 61 N -0.01 3.60 0.05 4.34 2.02 -1.26 -0.83 118.70 126.61 2khj s GLU 61 Ca 0.18 -0.11 -0.00 0.00 0.02 0.00 0.00 54.97 55.06 2khj s GLU 61 Cb -0.14 -2.91 -0.04 0.00 0.10 0.00 0.00 34.13 31.14 2khj s GLU 61 CO 0.06 0.51 -0.04 0.14 0.02 0.00 0.00 175.26 175.96 2khj s VAL 62 N -1.58 0.27 -0.19 2.63 -7.23 -0.03 -4.98 120.40 109.29 2khj s VAL 62 Ca 0.38 -1.69 -0.07 0.00 -1.81 0.00 0.00 61.98 58.80 2khj s VAL 62 Cb -0.12 -1.35 -0.04 0.00 0.56 0.00 0.00 36.38 35.43 2khj s VAL 62 CO 0.24 -0.90 0.05 -1.61 -0.31 0.00 0.00 175.10 172.56 2khj s GLU 63 N -3.52 3.86 0.20 4.82 8.01 -1.26 -1.13 118.70 129.68 2khj s GLU 63 Ca 0.04 -0.40 -0.00 0.00 0.01 0.00 0.00 54.97 54.62 2khj s GLU 63 Cb 0.05 -3.19 -0.04 0.00 -4.31 0.00 0.00 34.13 26.64 2khj s GLU 63 CO -0.08 0.18 0.09 0.00 0.01 0.00 0.00 175.26 175.45 2khj s ALA 64 N 0.62 1.27 -0.31 5.21 0.00 -0.05 -4.11 121.76 124.39 2khj s ALA 64 Ca 0.02 -1.68 -0.11 0.00 0.00 0.00 0.00 51.96 50.19 2khj s ALA 64 Cb -0.13 1.06 -0.03 0.00 0.00 0.00 0.00 23.12 24.02 2khj s ALA 64 CO 0.02 -0.49 0.20 0.21 0.00 0.00 0.00 175.76 175.69 2khj s LYS 65 N -4.07 3.66 -0.50 0.00 2.20 0.54 -0.97 119.74 120.60 2khj s LYS 65 Ca 0.33 -0.52 -0.17 0.00 -0.36 0.00 0.00 55.97 55.25 2khj s LYS 65 Cb 0.07 -3.69 0.07 0.00 -1.51 0.00 0.00 37.83 32.77 2khj s LYS 65 CO 0.09 -0.33 0.52 0.12 -0.36 0.00 0.00 175.35 175.39 2khj s PHE 66 N 1.72 3.15 0.00 4.03 5.36 -0.83 -2.00 117.98 129.39 2khj s PHE 66 Ca 0.06 -0.78 0.00 0.00 -0.96 0.00 0.00 56.93 55.26 2khj s PHE 66 Cb -0.17 -3.41 0.00 0.00 -0.34 0.00 0.00 43.02 39.11 2khj s PHE 66 CO 0.10 -0.94 0.00 0.25 -1.46 0.00 0.00 175.22 173.17 2khj n THR 67 N 5.40 0.00 -4.27 0.12 -2.24 -1.04 0.99 114.28 113.25 2khj n THR 67 Ca -0.10 0.00 -0.15 0.00 -2.27 0.00 0.00 64.05 61.53 2khj n THR 67 Cb 0.44 -0.69 -0.10 0.00 -2.10 0.00 0.00 70.33 67.88 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 -4.34 1.26 0.01 3.38 0.00 -0.59 -4.59 107.32 102.44 2khj s GLY 68 Ca 0.00 -1.60 0.05 0.00 0.00 0.00 0.00 44.72 43.17 2khj s GLY 68 CO 0.00 -1.60 -0.17 0.54 0.00 0.00 0.00 173.10 171.88 2khj s VAL 69 N -3.45 1.32 -0.14 1.40 0.11 -1.26 0.46 120.40 118.83 2khj s VAL 69 Ca 0.22 -0.83 -0.21 0.00 -2.93 0.00 0.00 61.98 58.23 2khj s VAL 69 Cb 0.05 -1.12 -0.03 0.00 -1.53 0.00 0.00 36.38 33.74 2khj s VAL 69 CO 0.04 0.28 0.61 -1.81 -3.33 0.00 0.00 175.10 170.88 2khj s ASP 70 N -0.64 6.77 0.37 3.54 1.11 -0.36 -4.94 116.67 122.51 2khj s ASP 70 Ca 0.06 0.92 0.27 0.00 0.18 0.00 0.00 52.55 53.98 2khj s ASP 70 Cb -0.07 -2.35 1.13 0.00 1.07 0.00 0.00 42.92 42.70 2khj s ASP 70 CO 0.00 -0.16 1.82 0.08 1.18 0.00 0.00 175.17 178.09 2khj h ARG 71 N 7.09 0.00 0.17 8.23 0.11 -1.97 -0.43 114.38 127.58 2khj h ARG 71 Ca -0.37 0.00 -0.31 0.00 0.10 0.00 0.00 59.98 59.41 2khj h ARG 71 Cb 1.17 0.00 0.01 0.00 1.11 0.00 0.00 29.97 32.26 2khj h ARG 71 CO 0.76 0.00 -1.41 0.87 0.10 0.00 0.00 179.97 180.29 2khj h LYS 72 N 0.00 0.36 0.00 0.08 1.57 -1.97 -3.37 116.57 113.24 2khj h LYS 72 Ca 0.00 -0.62 0.00 0.00 -1.87 0.00 0.00 60.65 58.16 2khj h LYS 72 Cb 0.42 0.23 0.00 0.00 0.08 0.00 0.00 32.23 32.96 2khj h LYS 72 CO 0.00 1.28 -1.20 0.09 -0.57 0.00 0.00 179.45 179.05 2khj n ASN 73 N -3.58 1.00 -3.82 0.86 4.13 -1.15 -5.02 115.26 107.68 2khj n ASN 73 Ca -0.14 -0.47 -0.27 0.00 1.68 0.00 0.00 54.58 55.38 2khj n ASN 73 Cb 1.06 1.34 0.04 0.00 -1.54 0.00 0.00 39.78 40.68 2khj n ASN 73 CO 0.00 0.00 0.00 0.54 0.28 0.00 0.00 177.26 178.08 2khj n ARG 74 N -1.69 -5.76 -4.26 3.52 5.12 -0.18 -5.01 116.66 108.40 2khj n ARG 74 Ca 0.00 0.64 -0.14 0.00 -1.93 0.00 0.00 57.85 56.42 2khj n ARG 74 Cb 0.33 -5.49 -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 -3.38 1.46 -0.02 7.54 0.00 -1.23 -3.94 121.76 122.19 2khj s ALA 75 Ca 0.50 -1.61 -0.15 0.00 0.00 0.00 0.00 51.96 50.70 2khj s ALA 75 Cb -0.24 0.44 -0.05 0.00 0.00 0.00 0.00 23.12 23.26 2khj s ALA 75 CO 0.81 -0.27 0.41 0.96 0.00 0.00 0.00 175.76 177.68 2khj s ILE 76 N -3.55 5.05 -0.24 0.00 -5.25 -1.26 -1.23 121.20 114.72 2khj s ILE 76 Ca 0.23 0.85 -0.03 0.00 -0.99 0.00 0.00 60.65 60.72 2khj s ILE 76 Cb 0.05 -3.72 0.01 0.00 2.95 0.00 0.00 42.46 41.75 2khj s ILE 76 CO 0.04 0.54 -0.04 -0.44 -1.79 0.00 0.00 174.94 173.25 2khj s SER 77 N -0.82 4.36 -0.07 4.36 0.01 0.17 -4.29 113.70 117.41 2khj s SER 77 Ca 0.24 -0.69 -0.04 0.00 1.31 0.00 0.00 55.95 56.76 2khj s SER 77 Cb -0.16 -1.71 0.03 0.00 0.21 0.00 0.00 66.02 64.39 2khj s SER 77 CO 0.13 -0.10 0.17 -1.48 0.41 0.00 0.00 173.24 172.37 2khj s LEU 78 N 1.39 0.92 0.01 2.44 -0.00 -1.26 -1.54 118.68 120.64 2khj s LEU 78 Ca 0.02 0.36 0.02 0.00 -0.00 0.00 0.00 54.13 54.53 2khj s LEU 78 Cb -0.16 0.52 -0.04 0.00 -0.00 0.00 0.00 46.19 46.51 2khj s LEU 78 CO -0.04 -0.12 0.01 -0.44 -0.00 0.00 0.00 176.35 175.77 2khj s SER 79 N 0.75 5.16 0.33 1.48 0.01 -0.85 -4.50 113.70 116.08 2khj s SER 79 Ca -0.05 -0.01 0.10 0.00 1.31 0.00 0.00 55.95 57.30 2khj s SER 79 Cb -0.07 -1.35 0.53 0.00 0.21 0.00 0.00 66.02 65.34 2khj s SER 79 CO -0.04 0.27 1.16 0.52 0.41 0.00 0.00 173.24 175.56 2khj n VAL 80 N 1.31 0.45 0.16 3.43 0.31 -1.26 -0.34 118.33 122.39 2khj n VAL 80 Ca -0.14 0.74 0.05 0.00 -0.01 0.00 0.00 64.34 64.99 2khj n VAL 80 Cb 0.53 -1.74 0.06 0.00 -0.91 0.00 0.00 33.84 31.77 2khj n VAL 80 CO 0.00 0.00 0.00 -0.09 -1.32 0.00 0.00 176.83 175.42 2khj h ARG 81 N 0.00 0.00 0.00 5.55 9.65 -1.90 -3.40 114.38 124.28 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 0.33 0.00 0.00 2.80 0.00 0.00 179.97 183.10 2khj n ALA 82 N -2.20 0.00 -3.31 2.80 0.00 -1.26 -4.64 120.51 111.90 2khj n ALA 82 Ca 0.02 0.00 -0.08 0.00 0.00 0.00 0.00 53.44 53.38 2khj n ALA 82 Cb 0.68 0.00 -0.06 0.00 0.00 0.00 0.00 19.45 20.06 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 0.40 4.42 0.00 2.47 -1.26 -4.83 119.74 120.95 2khj s LYS 83 Ca 0.00 0.29 0.00 0.00 -1.56 0.00 0.00 55.97 54.70 2khj s LYS 83 Cb 0.00 -0.31 0.00 0.00 -1.46 0.00 0.00 37.83 36.06 2khj s LYS 83 CO 0.00 -0.91 0.00 -0.25 0.16 0.00 0.00 175.35 174.35 2khj n ASP 84 N 5.36 0.00 -3.65 1.43 8.00 -1.26 -4.56 116.55 121.87 2khj n ASP 84 Ca -0.01 0.00 -0.05 0.00 0.71 0.00 0.00 54.79 55.44 2khj n ASP 84 Cb 0.50 0.00 -0.06 0.00 -0.02 0.00 0.00 41.12 41.53 2khj n ASP 84 CO 0.00 0.00 0.00 -1.83 -0.39 0.00 0.00 177.20 174.98 2khj s GLU 85 N 0.00 0.61 -0.18 -1.24 -1.05 -1.26 -4.96 118.70 110.62 2khj s GLU 85 Ca 0.00 1.27 -0.35 0.00 -0.15 0.00 0.00 54.97 55.73 2khj s GLU 85 Cb 0.00 0.41 0.15 0.00 -0.44 0.00 0.00 34.13 34.25 2khj s GLU 85 CO 0.00 -0.18 1.39 0.00 0.95 0.00 0.00 175.26 177.42 2khj s ALA 86 N 2.15 -2.32 0.00 -0.84 0.00 -1.26 -5.03 121.76 114.46 2khj s ALA 86 Ca -0.08 1.42 0.00 0.00 0.00 0.00 0.00 51.96 53.30 2khj s ALA 86 Cb -0.08 -0.07 0.00 0.00 0.00 0.00 0.00 23.12 22.97 2khj s ALA 86 CO -0.19 -0.79 0.00 -0.25 0.00 0.00 0.00 175.76 174.53 2khj n ASP 87 N -0.25 0.00 -0.67 0.00 8.00 -1.26 -4.80 116.55 117.57 2khj n ASP 87 Ca -0.02 0.00 0.12 0.00 0.71 0.00 0.00 54.79 55.60 2khj n ASP 87 Cb 0.60 0.00 0.22 0.00 -0.02 0.00 0.00 41.12 41.92 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 -0.97 1.78 0.00 -1.24 2.13 -1.26 -4.89 120.64 116.20 2khj n GLU 88 Ca 0.00 -1.35 0.00 0.00 0.66 0.00 0.00 57.16 56.47 2khj n GLU 88 Cb 0.00 -1.47 0.00 0.00 0.27 0.00 0.00 31.44 30.24 2khj n GLU 88 CO 0.00 0.00 0.00 0.36 -0.41 0.00 0.00 177.13 177.08