#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 -1.08 3.17 3.04 -1.85 -3.33 116.94 116.89 2khj h PHE 2 Ca 0.00 0.00 0.29 0.00 3.98 0.00 0.00 57.97 62.24 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 0.72 -0.91 -2.02 0.00 0.00 178.31 176.10 2khj h ASN 3 N 0.00 0.29 0.64 0.41 4.21 -1.97 0.46 115.58 119.62 2khj h ASN 3 Ca 0.33 0.06 -0.22 0.00 1.21 0.00 0.00 56.30 57.68 2khj h ASN 3 Cb 1.45 0.01 -0.01 0.00 -1.12 0.00 0.00 38.32 38.65 2khj h ASN 3 CO -0.00 0.05 -0.99 0.78 -1.29 0.00 0.00 177.43 175.97 2khj h ASN 4 N 0.25 0.28 0.40 5.81 4.21 -1.93 -3.41 115.58 121.20 2khj h ASN 4 Ca 0.58 -0.26 -0.17 0.00 1.21 0.00 0.00 56.30 57.67 2khj h ASN 4 Cb 1.76 -0.09 -0.01 0.00 -1.12 0.00 0.00 38.32 38.86 2khj h ASN 4 CO -0.20 1.11 -0.69 -0.25 -1.29 0.00 0.00 177.43 176.11 2khj h TRP 5 N 0.09 0.35 -1.02 1.19 7.01 -0.27 -3.37 115.95 119.93 2khj h TRP 5 Ca -0.06 -0.15 0.29 0.00 2.11 0.00 0.00 58.89 61.07 2khj h TRP 5 Cb 1.67 -0.05 -0.05 0.00 -2.10 0.00 0.00 29.16 28.63 2khj h TRP 5 CO 0.04 0.87 0.72 0.28 -2.79 0.00 0.00 178.44 177.56 2khj h VAL 6 N 0.18 0.50 0.07 2.65 2.07 -1.66 0.86 116.25 120.92 2khj h VAL 6 Ca -0.02 -0.02 -0.25 0.00 0.82 0.00 0.00 66.70 67.23 2khj h VAL 6 Cb 1.24 0.43 0.00 0.00 -1.52 0.00 0.00 31.29 31.45 2khj h VAL 6 CO 0.11 0.01 -1.09 0.00 0.02 0.00 0.00 177.57 176.62 2khj h ALA 7 N 1.51 0.24 0.05 1.67 0.00 -1.91 -3.39 119.26 117.43 2khj h ALA 7 Ca 0.50 -0.80 -0.37 0.00 0.00 0.00 0.00 54.91 54.23 2khj h ALA 7 Cb 1.87 -0.01 -0.05 0.00 0.00 0.00 0.00 17.79 19.60 2khj h ALA 7 CO -0.04 0.91 -2.22 1.28 0.00 0.00 0.00 179.25 179.18 2khj n LEU 8 N -3.62 2.45 -4.09 0.00 7.99 0.25 -4.99 117.00 114.98 2khj n LEU 8 Ca -0.07 0.06 -0.28 0.00 -0.01 0.00 0.00 56.01 55.70 2khj n LEU 8 Cb 0.93 -0.81 -0.17 0.00 -0.11 0.00 0.00 43.42 43.27 2khj n LEU 8 CO 0.52 0.83 -0.51 0.21 -1.51 0.00 0.00 177.39 176.94 2khj s ASN 9 N -6.63 2.45 0.18 -1.43 3.04 0.28 -5.13 114.94 107.70 2khj s ASN 9 Ca -0.26 -0.43 0.05 0.00 0.04 0.00 0.00 52.86 52.26 2khj s ASN 9 Cb 0.08 -1.11 -0.04 0.00 -1.54 0.00 0.00 41.25 38.64 2khj s ASN 9 CO 0.71 0.06 0.19 -1.59 -3.04 0.00 0.00 177.10 173.43 2khj s LYS 10 N 0.74 3.05 0.42 0.43 0.00 -1.26 -4.03 119.74 119.09 2khj s LYS 10 Ca -0.12 -0.84 -0.24 0.00 0.00 0.00 0.00 55.97 54.78 2khj s LYS 10 Cb -0.16 -2.71 -0.08 0.00 0.00 0.00 0.00 37.83 34.87 2khj s LYS 10 CO 0.02 0.47 1.11 0.15 0.00 0.00 0.00 175.35 177.11 2khj s LYS 11 N -3.32 3.99 0.00 1.78 1.02 -1.26 -4.16 119.74 117.79 2khj s LYS 11 Ca 0.32 1.67 0.00 0.00 0.02 0.00 0.00 55.97 57.98 2khj s LYS 11 Cb -0.10 -2.51 0.00 0.00 -0.52 0.00 0.00 37.83 34.70 2khj s LYS 11 CO 0.25 -0.33 0.00 0.41 -0.92 0.00 0.00 175.35 174.76 2khj n GLY 12 N 0.43 0.53 3.97 -3.33 0.00 0.23 -4.99 105.19 102.03 2khj n GLY 12 Ca 0.06 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.87 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 3.95 -0.11 4.61 0.00 -1.20 -4.83 121.76 122.18 2khj s ALA 13 Ca 0.00 -1.31 -0.01 0.00 0.00 0.00 0.00 51.96 50.63 2khj s ALA 13 Cb 0.00 -2.02 -0.03 0.00 0.00 0.00 0.00 23.12 21.07 2khj s ALA 13 CO 0.00 -0.59 -0.05 0.42 0.00 0.00 0.00 175.76 175.53 2khj s ILE 14 N -2.65 3.79 0.02 0.00 -1.09 -1.26 0.55 121.20 120.56 2khj s ILE 14 Ca 0.55 -0.42 0.02 0.00 -2.23 0.00 0.00 60.65 58.56 2khj s ILE 14 Cb -0.10 -2.60 -0.02 0.00 -1.58 0.00 0.00 42.46 38.16 2khj s ILE 14 CO 0.37 0.55 -0.07 0.68 -1.23 0.00 0.00 174.94 175.25 2khj s VAL 15 N -0.28 0.50 -0.21 2.92 -7.23 -0.04 -4.91 120.40 111.15 2khj s VAL 15 Ca 0.04 -0.73 -0.09 0.00 -1.81 0.00 0.00 61.98 59.39 2khj s VAL 15 Cb -0.13 -0.51 -0.05 0.00 0.56 0.00 0.00 36.38 36.26 2khj s VAL 15 CO 0.02 -0.17 0.12 0.42 -0.31 0.00 0.00 175.10 175.18 2khj s THR 16 N -0.86 5.19 0.09 5.32 -4.23 -1.26 -0.97 115.64 118.92 2khj s THR 16 Ca -0.05 0.11 0.00 0.00 -1.18 0.00 0.00 61.69 60.58 2khj s THR 16 Cb -0.07 -3.38 -0.04 0.00 1.34 0.00 0.00 72.50 70.36 2khj s THR 16 CO 0.00 0.42 -0.03 -0.83 -0.54 0.00 0.00 174.62 173.64 2khj s GLY 17 N 0.58 0.69 -0.06 3.99 0.00 -0.06 -4.69 107.32 107.76 2khj s GLY 17 Ca 0.06 -1.32 0.03 0.00 0.00 0.00 0.00 44.72 43.50 2khj s GLY 17 CO 0.00 -1.39 -0.14 -1.59 0.00 0.00 0.00 173.10 169.98 2khj s LYS 18 N -3.90 2.58 0.13 2.90 -2.85 0.82 -0.96 119.74 118.45 2khj s LYS 18 Ca 0.12 -0.70 -0.31 0.00 -1.00 0.00 0.00 55.97 54.08 2khj s LYS 18 Cb 0.07 -2.40 -0.09 0.00 -2.06 0.00 0.00 37.83 33.35 2khj s LYS 18 CO -0.06 0.59 1.57 0.08 0.10 0.00 0.00 175.35 177.63 2khj s VAL 19 N -0.63 2.85 0.00 1.79 1.01 -0.82 0.65 120.40 125.25 2khj s VAL 19 Ca 0.09 0.53 0.00 0.00 0.00 0.00 0.00 61.98 62.60 2khj s VAL 19 Cb -0.11 -3.34 0.00 0.00 0.00 0.00 0.00 36.38 32.93 2khj s VAL 19 CO 0.01 0.03 0.00 0.35 0.00 0.00 0.00 175.10 175.49 2khj n THR 20 N 4.21 0.00 -3.57 3.92 -2.24 -1.01 0.59 114.28 116.18 2khj n THR 20 Ca 0.14 0.00 -0.17 0.00 -2.27 0.00 0.00 64.05 61.76 2khj n THR 20 Cb 0.40 -0.83 -0.06 0.00 -2.10 0.00 0.00 70.33 67.73 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 -1.88 -1.52 0.09 6.98 0.00 -1.21 -4.97 121.76 119.25 2khj s ALA 21 Ca 0.00 1.03 0.10 0.00 0.00 0.00 0.00 51.96 53.09 2khj s ALA 21 Cb 0.00 0.06 -0.03 0.00 0.00 0.00 0.00 23.12 23.15 2khj s ALA 21 CO 0.00 -0.36 -0.26 0.14 0.00 0.00 0.00 175.76 175.27 2khj s VAL 22 N -1.37 2.24 0.41 0.00 -7.23 -1.26 -0.74 120.40 112.46 2khj s VAL 22 Ca -0.11 -1.57 0.08 0.00 -1.81 0.00 0.00 61.98 58.57 2khj s VAL 22 Cb -0.01 -1.94 -0.02 0.00 0.56 0.00 0.00 36.38 34.97 2khj s VAL 22 CO 0.07 0.22 0.41 -1.81 -0.31 0.00 0.00 175.10 173.68 2khj s ASP 23 N -1.68 5.17 0.24 4.85 1.01 0.15 -4.94 116.67 121.48 2khj s ASP 23 Ca 0.13 -0.68 -0.04 0.00 0.71 0.00 0.00 52.55 52.67 2khj s ASP 23 Cb -0.10 -0.60 0.45 0.00 1.01 0.00 0.00 42.92 43.67 2khj s ASP 23 CO 0.04 -0.66 1.74 0.00 0.21 0.00 0.00 175.17 176.50 2khj h ALA 24 N 0.97 1.07 -0.02 5.23 0.00 -2.03 -1.42 119.26 123.06 2khj h ALA 24 Ca -0.41 0.10 0.00 0.00 0.00 0.00 0.00 54.91 54.60 2khj h ALA 24 Cb 1.27 0.05 0.00 0.00 0.00 0.00 0.00 17.79 19.11 2khj h ALA 24 CO 0.55 -0.17 -0.01 0.36 0.00 0.00 0.00 179.25 179.98 2khj n LYS 25 N -4.96 1.20 -4.25 0.00 2.85 -1.26 -4.89 118.16 106.84 2khj n LYS 25 Ca 0.14 -1.42 -0.26 0.00 -1.05 0.00 0.00 58.31 55.73 2khj n LYS 25 Cb 0.39 -1.30 -0.08 0.00 -0.65 0.00 0.00 35.03 33.39 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 -1.32 1.71 -0.02 2.58 0.00 -0.53 -2.20 107.32 107.53 2khj s GLY 26 Ca 0.18 -1.47 0.00 0.00 0.00 0.00 0.00 44.72 43.44 2khj s GLY 26 CO 0.20 -1.49 0.02 0.00 0.00 0.00 0.00 173.10 171.83 2khj s ALA 27 N -1.85 0.06 -0.33 3.20 0.00 -0.99 -0.67 121.76 121.17 2khj s ALA 27 Ca 0.27 0.24 -0.12 0.00 0.00 0.00 0.00 51.96 52.36 2khj s ALA 27 Cb -0.08 -0.20 -0.01 0.00 0.00 0.00 0.00 23.12 22.83 2khj s ALA 27 CO 0.18 -0.09 0.21 0.99 0.00 0.00 0.00 175.76 177.05 2khj s THR 28 N 0.85 5.01 -0.11 0.00 2.01 0.09 -2.29 115.64 121.19 2khj s THR 28 Ca -0.07 -0.34 -0.05 0.00 0.31 0.00 0.00 61.69 61.54 2khj s THR 28 Cb -0.10 -3.59 -0.04 0.00 0.01 0.00 0.00 72.50 68.78 2khj s THR 28 CO -0.02 -0.01 0.07 0.54 -0.69 0.00 0.00 174.62 174.51 2khj s VAL 29 N 1.67 4.91 -0.16 3.82 0.11 -1.16 -2.41 120.40 127.18 2khj s VAL 29 Ca 0.05 -0.02 -0.19 0.00 -2.93 0.00 0.00 61.98 58.89 2khj s VAL 29 Cb -0.17 -3.11 -0.03 0.00 -1.53 0.00 0.00 36.38 31.53 2khj s VAL 29 CO 0.09 0.60 0.55 -0.70 -3.33 0.00 0.00 175.10 172.31 2khj s GLU 30 N -0.87 4.26 0.00 1.54 2.12 0.21 -1.53 118.70 124.44 2khj s GLU 30 Ca 0.13 0.51 0.16 0.00 0.36 0.00 0.00 54.97 56.14 2khj s GLU 30 Cb -0.12 -3.52 -0.16 0.00 0.26 0.00 0.00 34.13 30.59 2khj s GLU 30 CO 0.03 -0.06 0.70 1.28 -0.54 0.00 0.00 175.26 176.67 2khj n LEU 31 N 4.43 0.84 -0.31 2.70 7.99 0.80 -0.12 117.00 133.32 2khj n LEU 31 Ca -0.04 -0.52 0.00 0.00 -0.01 0.00 0.00 56.01 55.44 2khj n LEU 31 Cb 0.51 0.00 -0.00 0.00 -0.11 0.00 0.00 43.42 43.81 2khj n LEU 31 CO 0.43 0.20 -0.10 0.00 -1.51 0.00 0.00 177.39 176.41 2khj n ALA 32 N -1.28 -0.79 -1.01 -1.18 0.00 -1.02 -4.80 120.51 110.44 2khj n ALA 32 Ca 0.03 0.11 -0.00 0.00 0.00 0.00 0.00 53.44 53.58 2khj n ALA 32 Cb 0.26 -0.64 -0.00 0.00 0.00 0.00 0.00 19.45 19.07 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 -1.83 -3.36 0.00 0.00 2.03 -1.26 -3.36 116.55 108.76 2khj n ASP 33 Ca -0.00 0.01 0.00 0.00 0.52 0.00 0.00 54.79 55.32 2khj n ASP 33 Cb 0.10 -0.89 0.00 0.00 -0.72 0.00 0.00 41.12 39.61 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 -2.53 1.00 3.64 0.27 0.00 -1.26 -5.05 105.19 101.27 2khj n GLY 34 Ca -0.00 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.70 2khj n GLY 34 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2khj s VAL 35 N -2.00 3.88 0.14 1.61 0.11 -1.21 -3.95 120.40 118.98 2khj s VAL 35 Ca 0.00 -0.79 0.07 0.00 -2.93 0.00 0.00 61.98 58.33 2khj s VAL 35 Cb 0.00 -2.75 -0.04 0.00 -1.53 0.00 0.00 36.38 32.06 2khj s VAL 35 CO 0.00 0.31 -0.16 -1.61 -3.33 0.00 0.00 175.10 170.31 2khj s GLU 36 N -1.71 1.14 0.00 1.54 2.02 -1.26 -0.14 118.70 120.28 2khj s GLU 36 Ca 0.20 -1.31 0.00 0.00 0.02 0.00 0.00 54.97 53.88 2khj s GLU 36 Cb -0.11 -1.11 0.00 0.00 0.10 0.00 0.00 34.13 33.00 2khj s GLU 36 CO 0.11 0.22 0.00 0.41 0.02 0.00 0.00 175.26 176.02 2khj n GLY 37 N 0.45 3.93 3.66 -1.39 0.00 -0.58 -4.70 105.19 106.55 2khj n GLY 37 Ca -0.15 -0.75 -0.35 0.00 0.00 0.00 0.00 46.02 44.78 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 -0.90 3.13 -0.14 1.61 2.02 -1.23 -3.00 117.35 118.84 2khj s TYR 38 Ca 0.00 0.15 0.00 0.00 -0.37 0.00 0.00 57.07 56.85 2khj s TYR 38 Cb 0.00 -1.80 0.02 0.00 -0.40 0.00 0.00 41.96 39.79 2khj s TYR 38 CO 0.00 0.42 -0.13 -1.17 -1.57 0.00 0.00 175.55 173.11 2khj s LEU 39 N -0.78 1.61 0.11 -1.29 0.20 -0.97 -3.74 118.68 113.82 2khj s LEU 39 Ca 0.12 -0.47 -0.29 0.00 0.69 0.00 0.00 54.13 54.18 2khj s LEU 39 Cb -0.11 -1.11 -0.06 0.00 -0.43 0.00 0.00 46.19 44.47 2khj s LEU 39 CO 0.02 -0.08 0.92 -0.13 -0.29 0.00 0.00 176.35 176.79 2khj s ARG 40 N 1.53 4.67 0.07 1.98 3.00 -1.26 -2.34 118.95 126.60 2khj s ARG 40 Ca 0.05 1.37 -0.19 0.00 0.00 0.00 0.00 55.73 56.95 2khj s ARG 40 Cb -0.13 -3.36 -0.10 0.00 0.00 0.00 0.00 34.95 31.36 2khj s ARG 40 CO -0.10 0.27 1.48 0.00 0.00 0.00 0.00 175.30 176.95 2khj h ALA 41 N 5.42 0.29 0.00 2.13 0.00 -1.77 -3.10 119.26 122.24 2khj h ALA 41 Ca -0.43 -0.24 0.00 0.00 0.00 0.00 0.00 54.91 54.24 2khj h ALA 41 Cb 1.21 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.92 2khj h ALA 41 CO 0.71 0.05 0.01 0.77 0.00 0.00 0.00 179.25 180.79 2khj h SER 42 N 0.14 0.00 -0.52 0.00 0.02 -1.82 0.50 113.55 111.88 2khj h SER 42 Ca 0.06 0.00 -0.25 0.00 -0.84 0.00 0.00 61.79 60.76 2khj h SER 42 Cb 0.46 0.00 -0.15 0.00 0.14 0.00 0.00 62.40 62.85 2khj h SER 42 CO 0.02 0.00 0.12 -0.62 -1.14 0.00 0.00 176.83 175.21 2khj n GLU 43 N -2.88 2.15 0.19 3.45 -0.58 -1.17 -4.61 120.64 117.19 2khj n GLU 43 Ca -0.03 -3.11 0.00 0.00 -0.42 0.00 0.00 57.16 53.60 2khj n GLU 43 Cb 0.07 -1.93 0.00 0.00 -0.57 0.00 0.00 31.44 29.01 2khj n GLU 43 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 2khj n ALA 44 N -1.02 0.33 -0.04 0.62 0.00 -0.85 -4.70 120.51 114.85 2khj n ALA 44 Ca 0.39 0.00 -0.06 0.00 0.00 0.00 0.00 53.44 53.76 2khj n ALA 44 Cb 1.20 0.00 -0.03 0.00 0.00 0.00 0.00 19.45 20.62 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 -3.28 1.98 0.00 0.00 3.41 0.41 -0.41 113.62 115.72 2khj n SER 45 Ca 0.00 0.03 0.00 0.00 -0.26 0.00 0.00 58.87 58.64 2khj n SER 45 Cb 0.00 -0.17 0.00 0.00 -0.26 0.00 0.00 64.21 63.78 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 -3.02 0.00 0.00 4.33 3.00 0.15 -1.05 116.66 120.06 2khj n ARG 46 Ca -0.14 0.00 0.00 0.00 -0.00 0.00 0.00 57.85 57.71 2khj n ARG 46 Cb 0.62 0.00 0.00 0.00 0.00 0.00 0.00 32.46 33.08 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 -0.31 1.00 0.00 6.15 2.03 -1.26 -4.64 116.55 119.52 2khj n ASP 47 Ca 0.00 -1.15 0.00 0.00 0.52 0.00 0.00 54.79 54.16 2khj n ASP 47 Cb 0.00 0.00 0.00 0.00 -0.72 0.00 0.00 41.12 40.40 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 -0.08 0.35 -3.19 -0.67 1.74 -1.26 -5.08 116.66 108.47 2khj n ARG 48 Ca 0.00 -0.60 -0.04 0.00 -0.77 0.00 0.00 57.85 56.44 2khj n ARG 48 Cb 0.08 -0.78 0.02 0.00 -1.02 0.00 0.00 32.46 30.76 2khj n ARG 48 CO 0.00 0.00 0.00 1.55 -1.52 0.00 0.00 177.63 177.66 2khj n VAL 49 N -0.11 0.00 -4.58 1.55 3.14 -1.26 -5.16 118.33 111.89 2khj n VAL 49 Ca 0.00 -0.54 -0.33 0.00 -2.96 0.00 0.00 64.34 60.51 2khj n VAL 49 Cb 0.21 0.64 -0.13 0.00 -1.06 0.00 0.00 33.84 33.50 2khj n VAL 49 CO 0.00 0.00 0.00 -1.61 -6.46 0.00 0.00 176.83 168.76 2khj s GLU 50 N -2.05 3.44 0.00 1.45 2.02 -1.25 -4.37 118.70 117.94 2khj s GLU 50 Ca 0.15 -0.59 0.00 0.00 0.02 0.00 0.00 54.97 54.55 2khj s GLU 50 Cb -0.03 -2.76 0.00 0.00 0.10 0.00 0.00 34.13 31.44 2khj s GLU 50 CO 0.06 0.28 0.00 -0.25 0.02 0.00 0.00 175.26 175.37 2khj n ASP 51 N 3.37 0.00 0.00 -0.19 8.00 -0.22 -4.89 116.55 122.62 2khj n ASP 51 Ca -0.18 0.00 0.00 0.00 0.71 0.00 0.00 54.79 55.32 2khj n ASP 51 Cb 0.53 0.00 0.00 0.00 -0.02 0.00 0.00 41.12 41.63 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 0.81 0.23 2.24 0.00 0.45 -4.39 120.51 116.86 2khj n ALA 52 Ca 0.00 0.00 0.11 0.00 0.00 0.00 0.00 53.44 53.55 2khj n ALA 52 Cb 0.00 -0.80 0.70 0.00 0.00 0.00 0.00 19.45 19.35 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 0.87 0.00 0.00 2.02 -1.86 0.12 112.91 114.07 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 0.20 0.96 -0.00 0.00 -1.74 0.00 0.00 68.15 67.57 2khj h THR 53 CO 0.00 0.00 -0.10 -0.07 0.37 0.00 0.00 175.52 175.72 2khj h LEU 54 N 0.00 0.00 -3.20 2.58 3.38 -1.98 -3.32 115.31 112.77 2khj h LEU 54 Ca 0.03 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.00 2khj h LEU 54 Cb 0.14 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.89 2khj h LEU 54 CO -0.00 0.07 0.00 1.33 0.09 0.00 0.00 178.44 179.93 2khj n VAL 55 N -3.10 2.03 -4.41 1.22 0.24 0.35 -4.83 118.33 109.84 2khj n VAL 55 Ca 0.04 -1.62 -0.22 0.00 -2.04 0.00 0.00 64.34 60.50 2khj n VAL 55 Cb 0.56 -0.07 -0.16 0.00 -1.47 0.00 0.00 33.84 32.69 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 -2.38 1.58 0.28 1.34 1.43 -0.79 -5.07 118.68 115.07 2khj s LEU 56 Ca 0.40 -0.22 0.09 0.00 -1.03 0.00 0.00 54.13 53.37 2khj s LEU 56 Cb 0.30 -0.64 -0.04 0.00 0.03 0.00 0.00 46.19 45.84 2khj s LEU 56 CO 0.12 0.02 0.03 -0.55 0.23 0.00 0.00 176.35 176.19 2khj s SER 57 N 0.61 4.61 -0.04 2.29 0.15 -1.26 -4.88 113.70 115.18 2khj s SER 57 Ca -0.11 -0.65 -0.30 0.00 0.70 0.00 0.00 55.95 55.59 2khj s SER 57 Cb -0.14 -0.85 -0.04 0.00 -1.71 0.00 0.00 66.02 63.28 2khj s SER 57 CO 0.02 -0.05 1.24 -0.69 1.20 0.00 0.00 173.24 174.96 2khj s VAL 58 N -2.33 4.14 0.00 4.45 1.01 -1.26 -2.73 120.40 123.67 2khj s VAL 58 Ca 0.32 1.47 0.00 0.00 0.00 0.00 0.00 61.98 63.78 2khj s VAL 58 Cb -0.06 -3.95 0.00 0.00 0.00 0.00 0.00 36.38 32.37 2khj s VAL 58 CO 0.21 0.00 0.00 0.61 0.00 0.00 0.00 175.10 175.92 2khj n GLY 59 N 3.42 0.96 3.80 4.51 0.00 0.20 -4.94 105.19 113.14 2khj n GLY 59 Ca 0.11 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.77 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 -3.00 6.48 0.11 1.61 2.15 -1.11 -4.76 116.67 118.16 2khj s ASP 60 Ca 0.00 0.57 0.06 0.00 0.43 0.00 0.00 52.55 53.61 2khj s ASP 60 Cb 0.00 -2.15 -0.04 0.00 -0.30 0.00 0.00 42.92 40.43 2khj s ASP 60 CO 0.00 0.25 -0.02 -1.83 -0.17 0.00 0.00 175.17 173.40 2khj s GLU 61 N -0.34 2.43 0.06 4.34 -1.05 -1.26 -1.94 118.70 120.94 2khj s GLU 61 Ca 0.17 -0.93 -0.01 0.00 -0.15 0.00 0.00 54.97 54.05 2khj s GLU 61 Cb -0.13 -2.46 -0.04 0.00 -0.44 0.00 0.00 34.13 31.06 2khj s GLU 61 CO 0.05 0.52 -0.02 0.14 0.95 0.00 0.00 175.26 176.90 2khj s VAL 62 N -1.38 0.26 -0.22 1.83 -7.23 -0.14 -4.93 120.40 108.60 2khj s VAL 62 Ca 0.25 -1.83 -0.15 0.00 -1.81 0.00 0.00 61.98 58.44 2khj s VAL 62 Cb -0.11 -1.60 -0.04 0.00 0.56 0.00 0.00 36.38 35.19 2khj s VAL 62 CO 0.17 -0.93 0.37 -1.83 -0.31 0.00 0.00 175.10 172.58 2khj s GLU 63 N -3.92 4.13 0.27 4.82 1.03 -1.26 -0.89 118.70 122.88 2khj s GLU 63 Ca 0.09 0.12 0.03 0.00 0.03 0.00 0.00 54.97 55.25 2khj s GLU 63 Cb 0.08 -3.56 -0.06 0.00 -0.80 0.00 0.00 34.13 29.79 2khj s GLU 63 CO -0.08 -0.07 0.04 0.00 -1.33 0.00 0.00 175.26 173.82 2khj s ALA 64 N 1.42 2.01 -0.22 -0.84 0.00 -0.14 -3.34 121.76 120.65 2khj s ALA 64 Ca 0.17 -1.90 -0.10 0.00 0.00 0.00 0.00 51.96 50.12 2khj s ALA 64 Cb -0.15 0.68 -0.05 0.00 0.00 0.00 0.00 23.12 23.60 2khj s ALA 64 CO 0.08 -0.32 0.15 0.21 0.00 0.00 0.00 175.76 175.88 2khj s LYS 65 N -3.91 4.13 -0.51 0.00 2.20 0.70 -0.86 119.74 121.48 2khj s LYS 65 Ca 0.34 -0.23 -0.18 0.00 -0.36 0.00 0.00 55.97 55.53 2khj s LYS 65 Cb 0.07 -3.48 0.07 0.00 -1.51 0.00 0.00 37.83 32.98 2khj s LYS 65 CO 0.12 0.17 0.58 0.12 -0.36 0.00 0.00 175.35 175.99 2khj s PHE 66 N 0.73 3.09 -0.11 4.03 5.36 0.19 -2.13 117.98 129.14 2khj s PHE 66 Ca 0.08 -0.73 -0.05 0.00 -0.96 0.00 0.00 56.93 55.27 2khj s PHE 66 Cb -0.12 -3.55 -0.05 0.00 -0.34 0.00 0.00 43.02 38.96 2khj s PHE 66 CO 0.02 -1.02 -0.13 -2.37 -1.46 0.00 0.00 175.22 170.25 2khj n THR 67 N 5.50 0.58 -3.65 0.12 5.66 -1.02 0.75 114.28 122.22 2khj n THR 67 Ca -0.09 -0.15 -0.12 0.00 -3.05 0.00 0.00 64.05 60.64 2khj n THR 67 Cb 0.44 -1.60 -0.06 0.00 -1.55 0.00 0.00 70.33 67.57 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 -5.18 -0.29 0.01 1.09 0.00 -1.19 -4.52 107.32 97.24 2khj s GLY 68 Ca -0.15 0.21 0.07 0.00 0.00 0.00 0.00 44.72 44.85 2khj s GLY 68 CO 0.19 -0.05 -0.21 0.54 0.00 0.00 0.00 173.10 173.56 2khj s VAL 69 N -2.93 2.51 -0.16 1.40 0.11 -1.26 -0.63 120.40 119.43 2khj s VAL 69 Ca -0.02 -1.11 -0.17 0.00 -2.93 0.00 0.00 61.98 57.75 2khj s VAL 69 Cb 0.00 -1.98 -0.04 0.00 -1.53 0.00 0.00 36.38 32.84 2khj s VAL 69 CO -0.06 0.47 0.45 1.51 -3.33 0.00 0.00 175.10 174.14 2khj s ASP 70 N -1.02 6.57 0.29 3.54 -4.77 0.61 -4.95 116.67 116.93 2khj s ASP 70 Ca 0.12 0.67 0.08 0.00 -3.30 0.00 0.00 52.55 50.12 2khj s ASP 70 Cb -0.10 -2.26 0.42 0.00 -1.09 0.00 0.00 42.92 39.88 2khj s ASP 70 CO 0.02 -0.05 1.67 0.08 0.70 0.00 0.00 175.17 177.58 2khj h ARG 71 N 7.06 0.16 -0.61 2.11 0.11 -1.96 -1.52 114.38 119.73 2khj h ARG 71 Ca -0.38 -0.09 -0.07 0.00 0.10 0.00 0.00 59.98 59.54 2khj h ARG 71 Cb 1.17 0.01 -0.02 0.00 1.11 0.00 0.00 29.97 32.23 2khj h ARG 71 CO 0.74 0.62 0.10 0.87 0.10 0.00 0.00 179.97 182.41 2khj h LYS 72 N 0.13 1.00 0.00 0.08 1.57 -1.97 -3.23 116.57 114.15 2khj h LYS 72 Ca 0.00 -0.27 0.00 0.00 -1.87 0.00 0.00 60.65 58.52 2khj h LYS 72 Cb 0.92 -0.12 0.00 0.00 0.08 0.00 0.00 32.23 33.11 2khj h LYS 72 CO 0.07 0.94 -0.93 -1.71 -0.57 0.00 0.00 179.45 177.25 2khj n ASN 73 N -4.30 1.02 -3.12 0.86 4.05 -1.25 -5.05 115.26 107.48 2khj n ASN 73 Ca 0.03 -0.56 -0.14 0.00 0.45 0.00 0.00 54.58 54.36 2khj n ASN 73 Cb 0.28 1.19 0.07 0.00 1.23 0.00 0.00 39.78 42.55 2khj n ASN 73 CO 0.00 0.00 0.00 -1.14 -3.05 0.00 0.00 177.26 173.07 2khj n ARG 74 N -1.52 -4.52 -4.28 1.20 0.63 -0.58 -5.05 116.66 102.56 2khj n ARG 74 Ca 0.01 0.76 -0.15 0.00 -0.92 0.00 0.00 57.85 57.55 2khj n ARG 74 Cb 0.25 -5.45 -0.10 0.00 0.45 0.00 0.00 32.46 27.61 2khj n ARG 74 CO 0.00 0.00 0.00 0.00 -2.51 0.00 0.00 177.63 175.12 2khj s ALA 75 N -3.33 1.56 -0.07 5.13 0.00 -1.16 -3.98 121.76 119.90 2khj s ALA 75 Ca 0.14 -1.61 -0.12 0.00 0.00 0.00 0.00 51.96 50.38 2khj s ALA 75 Cb -0.02 0.30 -0.05 0.00 0.00 0.00 0.00 23.12 23.35 2khj s ALA 75 CO 0.65 -0.20 0.29 0.96 0.00 0.00 0.00 175.76 177.47 2khj s ILE 76 N -3.43 5.25 -0.16 0.00 -5.25 -1.26 -0.29 121.20 116.07 2khj s ILE 76 Ca 0.22 0.56 -0.04 0.00 -0.99 0.00 0.00 60.65 60.41 2khj s ILE 76 Cb 0.04 -3.59 -0.03 0.00 2.95 0.00 0.00 42.46 41.84 2khj s ILE 76 CO 0.04 0.56 -0.04 -0.94 -1.79 0.00 0.00 174.94 172.77 2khj s SER 77 N -0.82 4.75 0.05 4.36 1.04 0.19 -3.55 113.70 119.73 2khj s SER 77 Ca 0.19 -0.14 0.05 0.00 0.48 0.00 0.00 55.95 56.53 2khj s SER 77 Cb -0.14 -1.77 -0.02 0.00 0.10 0.00 0.00 66.02 64.18 2khj s SER 77 CO 0.08 0.17 -0.14 -0.76 0.98 0.00 0.00 173.24 173.57 2khj s LEU 78 N 0.38 2.19 -0.11 2.42 1.43 -1.25 -2.44 118.68 121.31 2khj s LEU 78 Ca -0.04 -0.49 -0.02 0.00 -1.03 0.00 0.00 54.13 52.54 2khj s LEU 78 Cb -0.14 -0.56 -0.03 0.00 0.03 0.00 0.00 46.19 45.48 2khj s LEU 78 CO 0.03 0.00 -0.01 -0.44 0.23 0.00 0.00 176.35 176.16 2khj s SER 79 N -1.26 5.11 0.47 2.29 0.01 -0.91 -4.11 113.70 115.30 2khj s SER 79 Ca 0.00 0.06 0.15 0.00 1.31 0.00 0.00 55.95 57.47 2khj s SER 79 Cb -0.08 -1.55 0.81 0.00 0.21 0.00 0.00 66.02 65.40 2khj s SER 79 CO 0.01 0.31 1.38 0.58 0.41 0.00 0.00 173.24 175.93 2khj h VAL 80 N 4.45 0.00 0.00 3.43 2.07 -1.84 0.20 116.25 124.56 2khj h VAL 80 Ca -0.45 0.00 -0.07 0.00 0.82 0.00 0.00 66.70 67.00 2khj h VAL 80 Cb 1.19 0.33 -0.01 0.00 -1.52 0.00 0.00 31.29 31.28 2khj h VAL 80 CO 0.57 0.00 -0.45 0.03 0.02 0.00 0.00 177.57 177.75 2khj h ARG 81 N 0.00 0.00 0.00 1.57 2.47 -1.84 -3.38 114.38 113.19 2khj h ARG 81 Ca 0.00 0.00 0.00 0.00 -1.26 0.00 0.00 59.98 58.72 2khj h ARG 81 Cb 0.91 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 29.23 2khj h ARG 81 CO 0.00 0.31 0.00 0.00 0.56 0.00 0.00 179.97 180.84 2khj n ALA 82 N -2.20 0.00 -1.58 0.04 0.00 -1.21 -1.49 120.51 114.08 2khj n ALA 82 Ca 0.02 0.00 0.05 0.00 0.00 0.00 0.00 53.44 53.50 2khj n ALA 82 Cb 0.67 0.00 0.06 0.00 0.00 0.00 0.00 19.45 20.19 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 0.00 0.59 -2.52 0.00 2.85 -1.26 -4.35 118.16 113.47 2khj n LYS 83 Ca 0.00 -1.72 -0.06 0.00 -1.05 0.00 0.00 58.31 55.48 2khj n LYS 83 Cb 0.00 -0.96 0.03 0.00 -0.65 0.00 0.00 35.03 33.45 2khj n LYS 83 CO 0.00 0.00 0.00 -0.25 -0.05 0.00 0.00 177.40 177.10 2khj n ASP 84 N -0.66 -2.22 0.00 -5.58 8.00 -0.55 -4.86 116.55 110.67 2khj n ASP 84 Ca 0.07 -0.19 0.00 0.00 0.71 0.00 0.00 54.79 55.38 2khj n ASP 84 Cb 0.67 -1.97 0.00 0.00 -0.02 0.00 0.00 41.12 39.80 2khj n ASP 84 CO 0.00 0.00 0.00 -0.62 -0.39 0.00 0.00 177.20 176.19 2khj n GLU 85 N -1.99 0.00 -3.18 -1.24 1.02 -1.19 -3.99 120.64 110.06 2khj n GLU 85 Ca -0.08 0.00 -0.21 0.00 -0.02 0.00 0.00 57.16 56.86 2khj n GLU 85 Cb 0.55 0.00 -0.05 0.00 -0.02 0.00 0.00 31.44 31.92 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 11.38 2.15 -2.43 0.62 0.00 -1.26 -4.86 120.51 126.12 2khj n ALA 86 Ca 0.00 -3.37 0.02 0.00 0.00 0.00 0.00 53.44 50.09 2khj n ALA 86 Cb 0.00 -0.88 0.05 0.00 0.00 0.00 0.00 19.45 18.62 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 0.82 1.41 0.00 0.00 5.68 -1.26 -4.73 116.55 118.47 2khj n ASP 87 Ca 0.23 -2.35 0.00 0.00 -0.50 0.00 0.00 54.79 52.17 2khj n ASP 87 Cb 0.60 -0.37 0.00 0.00 -1.14 0.00 0.00 41.12 40.21 2khj n ASP 87 CO 0.00 0.00 0.00 1.21 -1.33 0.00 0.00 177.20 177.08 2khj n GLU 88 N -0.01 0.02 0.00 0.11 4.07 -1.26 -5.15 120.64 118.41 2khj n GLU 88 Ca 0.10 0.00 0.00 0.00 -0.06 0.00 0.00 57.16 57.20 2khj n GLU 88 Cb 1.00 -0.44 0.00 0.00 -0.06 0.00 0.00 31.44 31.95 2khj n GLU 88 CO 0.00 0.00 0.00 0.36 -0.06 0.00 0.00 177.13 177.43