#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2k3u n SER 32 N 0.00 0.00 0.00 6.41 2.88 -1.26 -5.18 113.62 116.47 2k3u n SER 32 Ca 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.54 2k3u n SER 32 Cb 0.00 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.46 2k3u n SER 32 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 2k3u n GLY 33 N 0.00 -2.71 3.54 0.46 0.00 -1.26 -5.07 105.19 100.15 2k3u n GLY 33 Ca 0.00 -2.02 -0.26 0.00 0.00 0.00 0.00 46.02 43.74 2k3u n GLY 33 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2k3u s LEU 34 N 0.00 2.72 0.83 0.99 1.43 -1.26 -5.13 118.68 118.27 2k3u s LEU 34 Ca 0.00 -1.19 -0.15 0.00 -1.03 0.00 0.00 54.13 51.75 2k3u s LEU 34 Cb 0.00 -1.00 -0.04 0.00 0.03 0.00 0.00 46.19 45.19 2k3u s LEU 34 CO 0.00 -0.20 0.23 -2.65 0.23 0.00 0.00 176.35 173.96 2k3u n PRO 35 N -0.78 0.02 -0.20 1.29 -0.02 -1.26 -5.00 135.00 129.05 2k3u n PRO 35 Ca -0.05 0.04 0.00 0.00 -2.02 0.00 0.00 63.50 61.47 2k3u n PRO 35 Cb 0.63 -1.66 0.00 0.00 -0.02 0.00 0.00 33.50 32.46 2k3u n PRO 35 CO 0.00 0.00 0.00 -2.37 1.98 0.00 0.00 175.50 175.11 2k3u n THR 36 N -2.78 0.00 -3.75 3.45 5.66 -1.26 -5.10 114.28 110.50 2k3u n THR 36 Ca 0.07 0.00 -0.35 0.00 -3.05 0.00 0.00 64.05 60.72 2k3u n THR 36 Cb 0.52 0.45 -0.05 0.00 -1.55 0.00 0.00 70.33 69.70 2k3u n THR 36 CO 0.00 0.00 0.00 0.42 -3.05 0.00 0.00 175.07 172.44 2k3u s THR 37 N 0.00 5.29 0.33 1.09 -4.23 -1.26 -1.07 115.64 115.79 2k3u s THR 37 Ca 0.00 0.19 0.07 0.00 -1.18 0.00 0.00 61.69 60.77 2k3u s THR 37 Cb 0.00 -3.57 0.09 0.00 1.34 0.00 0.00 72.50 70.36 2k3u s THR 37 CO 0.00 0.37 1.79 0.25 -0.54 0.00 0.00 174.62 176.49 2k3u h LEU 38 N 4.01 0.29 -0.77 4.79 5.85 -1.61 -3.15 115.31 124.72 2k3u h LEU 38 Ca -0.50 -0.09 0.04 0.00 0.84 0.00 0.00 57.88 58.17 2k3u h LEU 38 Cb 1.20 -0.08 -0.05 0.00 0.37 0.00 0.00 40.66 42.10 2k3u h LEU 38 CO 0.66 0.56 0.48 1.23 -0.34 0.00 0.00 178.44 181.03 2k3u h GLY 39 N 1.01 1.14 1.49 3.75 0.00 -1.32 0.17 103.07 109.30 2k3u h GLY 39 Ca 0.04 -0.36 -0.08 0.00 0.00 0.00 0.00 47.33 46.93 2k3u h GLY 39 CO 0.04 0.27 -0.12 0.50 0.00 0.00 0.00 176.54 177.24 2k3u h LYS 40 N 0.91 0.61 -0.33 4.80 1.79 -1.77 -2.02 116.57 120.56 2k3u h LYS 40 Ca 0.32 -0.19 -0.15 0.00 -2.18 0.00 0.00 60.65 58.46 2k3u h LYS 40 Cb 0.08 -0.06 -0.00 0.00 -1.58 0.00 0.00 32.23 30.67 2k3u h LYS 40 CO -0.14 0.72 -0.38 1.25 -1.08 0.00 0.00 179.45 179.82 2k3u h LEU 41 N 0.56 0.90 -0.83 2.94 6.46 -1.37 -2.26 115.31 121.72 2k3u h LEU 41 Ca 0.10 -0.48 0.03 0.00 -0.12 0.00 0.00 57.88 57.41 2k3u h LEU 41 Cb 0.53 -0.25 -0.05 0.00 -0.73 0.00 0.00 40.66 40.16 2k3u h LEU 41 CO 0.03 1.20 0.53 -0.78 -0.62 0.00 0.00 178.44 178.81 2k3u h ASP 42 N 0.62 0.89 -0.76 1.25 1.82 -0.56 0.15 116.42 119.82 2k3u h ASP 42 Ca 0.05 -0.01 -0.01 0.00 -0.39 0.00 0.00 57.03 56.67 2k3u h ASP 42 Cb 0.97 -0.20 -0.04 0.00 0.68 0.00 0.00 39.33 40.74 2k3u h ASP 42 CO 0.09 0.62 0.45 -0.08 -1.61 0.00 0.00 179.24 178.71 2k3u h GLU 43 N 1.04 1.04 -0.29 0.28 4.81 -1.33 -0.54 114.58 119.60 2k3u h GLU 43 Ca 0.33 -0.10 -0.03 0.00 -0.13 0.00 0.00 59.36 59.43 2k3u h GLU 43 Cb -0.01 -0.22 -0.01 0.00 0.63 0.00 0.00 28.75 29.14 2k3u h GLU 43 CO -0.11 0.74 0.08 -0.09 -0.73 0.00 0.00 179.01 178.91 2k3u h ARG 44 N 1.05 0.46 -0.42 1.92 9.65 -0.72 -1.50 114.38 124.82 2k3u h ARG 44 Ca 0.27 -0.11 -0.07 0.00 -1.10 0.00 0.00 59.98 58.97 2k3u h ARG 44 Cb -0.02 -0.06 -0.02 0.00 -1.39 0.00 0.00 29.97 28.47 2k3u h ARG 44 CO -0.05 0.53 -0.04 -0.07 2.80 0.00 0.00 179.97 183.14 2k3u h LEU 45 N 0.31 0.68 -1.27 3.80 3.38 -0.52 0.14 115.31 121.84 2k3u h LEU 45 Ca 0.09 -0.17 -0.07 0.00 0.09 0.00 0.00 57.88 57.82 2k3u h LEU 45 Cb 0.27 -0.18 -0.01 0.00 0.09 0.00 0.00 40.66 40.83 2k3u h LEU 45 CO -0.00 0.78 -0.26 0.03 0.09 0.00 0.00 178.44 179.08 2k3u h ARG 46 N 0.66 0.17 -0.06 1.13 3.08 -1.04 -1.44 114.38 116.89 2k3u h ARG 46 Ca 0.13 -0.05 -0.01 0.00 0.07 0.00 0.00 59.98 60.11 2k3u h ARG 46 Cb 0.47 -0.02 -0.00 0.00 0.08 0.00 0.00 29.97 30.50 2k3u h ARG 46 CO 0.02 0.42 -0.01 -0.91 -1.07 0.00 0.00 179.97 178.42 2k3u h ASN 47 N 0.16 0.11 -0.76 7.04 2.35 -0.47 -3.24 115.58 120.77 2k3u h ASN 47 Ca 0.03 -0.37 0.15 0.00 -0.55 0.00 0.00 56.30 55.56 2k3u h ASN 47 Cb 0.54 -0.03 -0.05 0.00 0.05 0.00 0.00 38.32 38.83 2k3u h ASN 47 CO 0.04 0.45 0.51 1.88 -1.65 0.00 0.00 177.43 178.66 2k3u h TYR 48 N -0.23 0.50 -0.01 1.19 0.05 -0.25 0.05 116.97 118.27 2k3u h TYR 48 Ca 0.01 0.01 -0.00 0.00 0.05 0.00 0.00 58.73 58.81 2k3u h TYR 48 Cb 0.40 -0.16 -0.00 0.00 1.01 0.00 0.00 36.73 37.98 2k3u h TYR 48 CO 0.05 0.19 0.00 -0.07 -1.05 0.00 0.00 178.16 177.28 2k3u h LEU 49 N 0.43 0.01 -0.29 3.88 3.38 -1.34 -0.47 115.31 120.92 2k3u h LEU 49 Ca 0.37 -0.25 -0.10 0.00 0.09 0.00 0.00 57.88 57.99 2k3u h LEU 49 Cb 0.84 -0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.58 2k3u h LEU 49 CO -0.12 0.27 -0.21 0.11 0.09 0.00 0.00 178.44 178.57 2k3u h LYS 50 N -0.24 0.65 0.00 1.13 1.57 -1.37 -0.40 116.57 117.91 2k3u h LYS 50 Ca 0.00 -0.31 -0.00 0.00 -1.87 0.00 0.00 60.65 58.46 2k3u h LYS 50 Cb 0.26 -0.00 -0.00 0.00 0.08 0.00 0.00 32.23 32.56 2k3u h LYS 50 CO 0.00 0.91 -0.02 0.87 -0.57 0.00 0.00 179.45 180.64 2k3u h LYS 51 N 0.39 0.00 0.00 3.15 1.79 -1.11 -3.38 116.57 117.42 2k3u h LYS 51 Ca 0.06 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.53 2k3u h LYS 51 Cb 0.75 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.40 2k3u h LYS 51 CO 0.06 0.02 -0.36 0.41 -1.08 0.00 0.00 179.45 178.49 2k3u n GLY 52 N -1.40 0.58 3.50 3.86 0.00 -0.18 -5.05 105.19 106.50 2k3u n GLY 52 Ca -0.03 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.75 2k3u n GLY 52 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 2k3u s THR 53 N -1.22 2.57 0.14 2.61 -4.23 -0.19 -5.01 115.64 110.32 2k3u s THR 53 Ca 0.00 -2.33 -0.11 0.00 -1.18 0.00 0.00 61.69 58.07 2k3u s THR 53 Cb 0.00 -2.40 -0.04 0.00 1.34 0.00 0.00 72.50 71.40 2k3u s THR 53 CO 0.00 -0.38 1.48 0.11 -0.54 0.00 0.00 174.62 175.30 2k3u h LYS 54 N 2.20 0.96 -1.55 3.99 1.57 -1.90 -3.43 116.57 118.40 2k3u h LYS 54 Ca -0.41 -0.49 -0.24 0.00 -1.87 0.00 0.00 60.65 57.64 2k3u h LYS 54 Cb 1.26 0.01 -0.26 0.00 0.08 0.00 0.00 32.23 33.32 2k3u h LYS 54 CO 0.61 1.15 -0.59 1.21 -0.57 0.00 0.00 179.45 181.26 2k3u s ASN 55 N -6.83 0.02 0.64 0.86 2.47 -1.26 -5.04 114.94 105.80 2k3u s ASN 55 Ca -0.11 -1.25 0.43 0.00 0.42 0.00 0.00 52.86 52.35 2k3u s ASN 55 Cb 0.11 1.15 2.34 0.00 -1.45 0.00 0.00 41.25 43.41 2k3u s ASN 55 CO 0.88 -0.22 2.32 0.77 -3.72 0.00 0.00 177.10 177.13 2k3u h SER 56 N 7.03 0.00 0.10 -4.21 4.64 -1.82 -3.25 113.55 116.03 2k3u h SER 56 Ca 0.05 0.00 -0.00 0.00 -0.47 0.00 0.00 61.79 61.37 2k3u h SER 56 Cb 1.11 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 63.20 2k3u h SER 56 CO 0.16 0.00 -0.01 0.00 -0.87 0.00 0.00 176.83 176.10 2k3u h ALA 57 N 2.00 1.21 0.00 5.18 0.00 -1.97 -2.44 119.26 123.24 2k3u h ALA 57 Ca 0.00 -0.01 -0.05 0.00 0.00 0.00 0.00 54.91 54.85 2k3u h ALA 57 Cb 0.00 -0.00 -0.01 0.00 0.00 0.00 0.00 17.79 17.78 2k3u h ALA 57 CO 0.00 0.02 -0.25 -0.56 0.00 0.00 0.00 179.25 178.46 2k3u h GLN 58 N 0.00 0.00 -6.97 0.00 3.07 -1.98 -3.45 115.11 105.78 2k3u h GLN 58 Ca -0.00 0.00 -0.48 0.00 0.09 0.00 0.00 58.65 58.26 2k3u h GLN 58 Cb 0.06 0.00 0.01 0.00 0.08 0.00 0.00 27.48 27.64 2k3u h GLN 58 CO 0.00 0.25 0.40 -0.06 0.09 0.00 0.00 178.83 179.51 2k3u s PHE 59 N -3.45 3.30 0.00 0.06 0.08 -0.92 -1.43 117.98 115.63 2k3u s PHE 59 Ca 0.02 1.65 0.00 0.00 0.12 0.00 0.00 56.93 58.72 2k3u s PHE 59 Cb 0.09 -3.08 0.00 0.00 -0.57 0.00 0.00 43.02 39.46 2k3u s PHE 59 CO 0.66 -0.51 0.00 -0.85 -0.10 0.00 0.00 175.22 174.42 2k3u n GLU 60 N -0.09 2.44 -3.99 0.44 0.28 -0.09 -4.67 120.64 114.95 2k3u n GLU 60 Ca 0.05 0.00 -0.10 0.00 -0.16 0.00 0.00 57.16 56.95 2k3u n GLU 60 Cb 0.50 -0.79 -0.04 0.00 1.43 0.00 0.00 31.44 32.54 2k3u n GLU 60 CO 0.00 0.00 0.00 -1.59 -0.16 0.00 0.00 177.13 175.38 2k3u s LYS 61 N -1.32 1.69 0.05 3.44 -2.85 -1.21 -0.63 119.74 118.92 2k3u s LYS 61 Ca 0.00 -1.35 -0.00 0.00 -1.00 0.00 0.00 55.97 53.62 2k3u s LYS 61 Cb 0.00 0.49 -0.04 0.00 -2.06 0.00 0.00 37.83 36.22 2k3u s LYS 61 CO 0.00 -0.71 -0.04 0.00 0.10 0.00 0.00 175.35 174.70 2k3u s MET 62 N -3.69 0.59 -0.01 1.78 0.23 0.02 -1.77 119.30 116.45 2k3u s MET 62 Ca 0.23 -1.10 0.02 0.00 -1.03 0.00 0.00 55.69 53.81 2k3u s MET 62 Cb -0.01 0.08 0.00 0.00 -1.53 0.00 0.00 34.83 33.37 2k3u s MET 62 CO 0.11 -0.07 -0.05 0.08 -2.03 0.00 0.00 175.02 173.06 2k3u s VAL 63 N -3.23 0.42 -0.05 5.16 1.01 0.26 -0.92 120.40 123.06 2k3u s VAL 63 Ca 0.02 -0.20 0.04 0.00 0.00 0.00 0.00 61.98 61.84 2k3u s VAL 63 Cb 0.03 -0.38 -0.00 0.00 0.00 0.00 0.00 36.38 36.03 2k3u s VAL 63 CO -0.07 0.13 -0.16 -0.63 0.00 0.00 0.00 175.10 174.38 2k3u s ILE 64 N 0.06 1.35 -0.06 2.22 1.01 0.05 -0.62 121.20 125.21 2k3u s ILE 64 Ca -0.00 -0.66 0.05 0.00 0.00 0.00 0.00 60.65 60.04 2k3u s ILE 64 Cb -0.04 -1.17 -0.01 0.00 0.01 0.00 0.00 42.46 41.25 2k3u s ILE 64 CO -0.00 0.39 -0.22 -0.76 0.00 0.00 0.00 174.94 174.35 2k3u s LEU 65 N 0.15 2.01 0.37 2.97 1.43 -0.15 -1.45 118.68 124.01 2k3u s LEU 65 Ca -0.06 -0.46 0.04 0.00 -1.03 0.00 0.00 54.13 52.62 2k3u s LEU 65 Cb -0.12 -1.22 -0.04 0.00 0.03 0.00 0.00 46.19 44.83 2k3u s LEU 65 CO 0.02 0.20 0.09 0.42 0.23 0.00 0.00 176.35 177.31 2k3u s THR 66 N -0.04 0.93 1.15 5.49 -4.23 -0.94 -2.05 115.64 115.94 2k3u s THR 66 Ca -0.05 -2.00 -0.17 0.00 -1.18 0.00 0.00 61.69 58.29 2k3u s THR 66 Cb -0.13 -2.57 0.16 0.00 1.34 0.00 0.00 72.50 71.30 2k3u s THR 66 CO 0.03 0.00 0.24 -0.62 -0.54 0.00 0.00 174.62 173.74 2k3u n GLU 67 N -0.81 -1.90 -2.76 3.99 1.02 -0.98 -3.70 120.64 115.49 2k3u n GLU 67 Ca -0.05 -0.54 -0.17 0.00 -0.02 0.00 0.00 57.16 56.38 2k3u n GLU 67 Cb 0.66 -1.81 0.00 0.00 -0.02 0.00 0.00 31.44 30.27 2k3u n GLU 67 CO 0.00 0.00 0.00 0.09 1.18 0.00 0.00 177.13 178.40 2k3u n ASN 68 N -2.52 -4.33 -2.88 1.62 3.02 -0.62 -2.70 115.26 106.84 2k3u n ASN 68 Ca 0.01 -0.04 -0.17 0.00 -0.03 0.00 0.00 54.58 54.35 2k3u n ASN 68 Cb 0.60 -3.62 -0.00 0.00 -0.61 0.00 0.00 39.78 36.15 2k3u n ASN 68 CO 0.00 0.00 0.00 0.29 -2.62 0.00 0.00 177.26 174.93 2k3u n LYS 69 N -3.24 -2.87 -2.12 3.52 5.02 -0.01 -4.93 118.16 113.53 2k3u n LYS 69 Ca -0.12 0.50 -0.37 0.00 -2.02 0.00 0.00 58.31 56.31 2k3u n LYS 69 Cb 0.60 -5.15 0.01 0.00 -0.02 0.00 0.00 35.03 30.47 2k3u n LYS 69 CO 0.00 0.00 0.00 0.20 -0.52 0.00 0.00 177.40 177.08 2k3u s GLY 70 N -2.36 2.77 -0.17 0.72 0.00 -1.10 -4.93 107.32 102.26 2k3u s GLY 70 Ca 0.19 1.01 -0.08 0.00 0.00 0.00 0.00 44.72 45.84 2k3u s GLY 70 CO 0.23 1.45 0.39 -0.47 0.00 0.00 0.00 173.10 174.71 2k3u s TYR 71 N -1.54 -0.61 -0.08 1.90 6.14 -1.26 -2.21 117.35 119.70 2k3u s TYR 71 Ca 0.69 1.27 -0.03 0.00 0.64 0.00 0.00 57.07 59.64 2k3u s TYR 71 Cb -0.31 0.24 0.04 0.00 0.42 0.00 0.00 41.96 42.36 2k3u s TYR 71 CO 0.36 -0.36 0.15 0.71 0.64 0.00 0.00 175.55 177.05 2k3u s TYR 72 N 1.64 -0.16 -0.07 4.97 1.51 -0.53 -4.99 117.35 119.73 2k3u s TYR 72 Ca -0.08 0.56 -0.14 0.00 -1.01 0.00 0.00 57.07 56.41 2k3u s TYR 72 Cb -0.09 -0.24 -0.05 0.00 -0.11 0.00 0.00 41.96 41.46 2k3u s TYR 72 CO -0.12 -0.25 0.35 -0.08 -1.11 0.00 0.00 175.55 174.34 2k3u s THR 73 N 2.08 5.18 -0.06 -0.71 -1.32 -1.26 -0.77 115.64 118.78 2k3u s THR 73 Ca 0.01 0.70 -0.03 0.00 -1.21 0.00 0.00 61.69 61.16 2k3u s THR 73 Cb -0.12 -3.66 0.04 0.00 -1.51 0.00 0.00 72.50 67.25 2k3u s THR 73 CO -0.06 0.51 0.13 -0.69 -2.21 0.00 0.00 174.62 172.31 2k3u s VAL 74 N -0.53 -0.10 0.24 5.08 1.01 -0.09 -5.00 120.40 121.00 2k3u s VAL 74 Ca 0.21 0.23 -0.21 0.00 0.00 0.00 0.00 61.98 62.21 2k3u s VAL 74 Cb -0.15 -0.23 -0.08 0.00 0.00 0.00 0.00 36.38 35.92 2k3u s VAL 74 CO 0.09 0.10 0.76 -0.31 0.00 0.00 0.00 175.10 175.75 2k3u s TYR 75 N 1.43 3.67 -0.11 5.22 2.02 -1.26 -0.80 117.35 127.52 2k3u s TYR 75 Ca -0.06 1.47 0.13 0.00 -0.37 0.00 0.00 57.07 58.24 2k3u s TYR 75 Cb -0.12 -2.68 -0.20 0.00 -0.40 0.00 0.00 41.96 38.56 2k3u s TYR 75 CO -0.05 0.32 0.33 1.28 -1.57 0.00 0.00 175.55 175.86 2k3u n LEU 76 N 0.74 0.09 0.00 -1.29 4.77 0.20 -4.36 117.00 117.16 2k3u n LEU 76 Ca -0.02 -0.08 0.10 0.00 -0.03 0.00 0.00 56.01 55.99 2k3u n LEU 76 Cb 0.51 0.00 0.61 0.00 -2.33 0.00 0.00 43.42 42.21 2k3u n LEU 76 CO 0.43 0.02 0.81 0.59 -1.33 0.00 0.00 177.39 177.91 2k3u n ASN 77 N -1.87 0.00 -3.79 -1.43 3.02 -1.22 -4.86 115.26 105.11 2k3u n ASN 77 Ca -0.02 -0.61 -0.11 0.00 -0.03 0.00 0.00 54.58 53.82 2k3u n ASN 77 Cb 0.33 -0.02 -0.07 0.00 -0.61 0.00 0.00 39.78 39.41 2k3u n ASN 77 CO 0.00 0.00 0.00 0.42 -2.62 0.00 0.00 177.26 175.06 2k3u s THR 78 N -2.04 0.10 0.61 3.41 -4.23 -1.26 -5.15 115.64 107.08 2k3u s THR 78 Ca 0.30 -0.83 -0.19 0.00 -1.18 0.00 0.00 61.69 59.80 2k3u s THR 78 Cb 0.14 -1.03 -0.03 0.00 1.34 0.00 0.00 72.50 72.93 2k3u s THR 78 CO 0.24 -0.46 1.26 -2.65 -0.54 0.00 0.00 174.62 172.48 2k3u n PRO 79 N 0.42 1.23 -3.40 3.99 -0.02 -1.26 -4.91 135.00 131.05 2k3u n PRO 79 Ca -0.18 0.47 -0.31 0.00 -2.02 0.00 0.00 63.50 61.47 2k3u n PRO 79 Cb 0.60 -2.49 -0.05 0.00 -0.02 0.00 0.00 33.50 31.55 2k3u n PRO 79 CO 0.00 0.00 0.00 -0.48 1.98 0.00 0.00 175.50 177.00 2k3u s LEU 80 N -3.74 4.14 0.57 2.45 2.34 -1.26 -5.02 118.68 118.15 2k3u s LEU 80 Ca 0.79 0.84 -0.20 0.00 0.06 0.00 0.00 54.13 55.62 2k3u s LEU 80 Cb -0.40 -3.62 -0.04 0.00 -0.56 0.00 0.00 46.19 41.57 2k3u s LEU 80 CO 0.44 -0.10 1.26 0.00 -1.06 0.00 0.00 176.35 176.89 2k3u s ALA 81 N -1.89 2.67 0.41 1.48 0.00 -1.26 -4.76 121.76 118.42 2k3u s ALA 81 Ca 0.46 1.14 0.11 0.00 0.00 0.00 0.00 51.96 53.66 2k3u s ALA 81 Cb -0.11 -3.49 0.93 0.00 0.00 0.00 0.00 23.12 20.44 2k3u s ALA 81 CO 0.24 -1.22 1.98 1.49 0.00 0.00 0.00 175.76 178.25 2k3u h GLU 82 N 1.19 0.50 0.00 0.00 4.81 -1.99 -0.25 114.58 118.85 2k3u h GLU 82 Ca -0.51 -0.03 -0.00 0.00 -0.13 0.00 0.00 59.36 58.69 2k3u h GLU 82 Cb 1.30 -0.11 -0.00 0.00 0.63 0.00 0.00 28.75 30.56 2k3u h GLU 82 CO 0.56 0.33 -0.01 -0.44 -0.73 0.00 0.00 179.01 178.73 2k3u h ASP 83 N 0.52 0.00 0.55 1.04 3.32 -1.97 -1.58 116.42 118.29 2k3u h ASP 83 Ca 0.27 0.00 -0.26 0.00 0.02 0.00 0.00 57.03 57.07 2k3u h ASP 83 Cb 0.40 0.00 -0.04 0.00 0.22 0.00 0.00 39.33 39.90 2k3u h ASP 83 CO -0.08 0.01 -1.63 0.54 -1.72 0.00 0.00 179.24 176.36 2k3u n ARG 84 N -4.50 0.63 -0.06 3.56 1.74 -0.19 -2.73 116.66 115.11 2k3u n ARG 84 Ca -0.03 0.28 0.01 0.00 -0.77 0.00 0.00 57.85 57.34 2k3u n ARG 84 Cb 0.10 -1.80 0.31 0.00 -1.02 0.00 0.00 32.46 30.05 2k3u n ARG 84 CO 0.00 0.00 0.00 0.87 -1.52 0.00 0.00 177.63 176.98 2k3u h LYS 85 N 0.00 0.67 -0.13 5.56 1.57 -0.55 -3.27 116.57 120.42 2k3u h LYS 85 Ca -0.25 -0.08 0.00 0.00 -1.87 0.00 0.00 60.65 58.44 2k3u h LYS 85 Cb 1.90 -0.13 0.00 0.00 0.08 0.00 0.00 32.23 34.08 2k3u h LYS 85 CO 0.07 0.54 0.00 0.09 -0.57 0.00 0.00 179.45 179.58 2k3u n ASN 86 N -4.37 2.69 -4.77 0.86 3.02 -0.67 -1.51 115.26 110.51 2k3u n ASN 86 Ca 0.04 -1.79 -0.40 0.00 -0.03 0.00 0.00 54.58 52.39 2k3u n ASN 86 Cb 0.14 -0.08 -0.02 0.00 -0.61 0.00 0.00 39.78 39.21 2k3u n ASN 86 CO 0.00 0.00 0.00 0.54 -2.62 0.00 0.00 177.26 175.18 2k3u s VAL 87 N -1.39 2.79 -0.30 2.41 0.11 -1.10 -4.88 120.40 118.03 2k3u s VAL 87 Ca 0.24 0.76 -0.29 0.00 -2.93 0.00 0.00 61.98 59.76 2k3u s VAL 87 Cb 0.16 -3.47 0.01 0.00 -1.53 0.00 0.00 36.38 31.55 2k3u s VAL 87 CO 0.23 0.16 1.11 -1.61 -3.33 0.00 0.00 175.10 171.66 2k3u s GLU 88 N -1.92 4.07 0.30 1.54 0.41 -1.26 -2.30 118.70 119.54 2k3u s GLU 88 Ca 0.51 1.15 -0.30 0.00 -0.41 0.00 0.00 54.97 55.92 2k3u s GLU 88 Cb -0.38 -3.75 -0.11 0.00 -1.78 0.00 0.00 34.13 28.11 2k3u s GLU 88 CO 0.50 -0.90 1.58 -0.51 -0.49 0.00 0.00 175.26 175.44 2k3u s LEU 89 N 3.70 4.34 0.48 1.80 1.43 -0.23 -4.93 118.68 125.28 2k3u s LEU 89 Ca 0.47 2.96 0.22 0.00 -1.03 0.00 0.00 54.13 56.76 2k3u s LEU 89 Cb -0.13 -3.64 1.23 0.00 0.03 0.00 0.00 46.19 43.68 2k3u s LEU 89 CO 0.16 -0.91 2.01 -0.07 0.23 0.00 0.00 176.35 177.76 2k3u h LEU 90 N 4.66 0.00 0.00 1.79 3.38 -1.90 -3.47 115.31 119.77 2k3u h LEU 90 Ca -0.47 0.00 0.05 0.00 0.09 0.00 0.00 57.88 57.54 2k3u h LEU 90 Cb 1.22 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.96 2k3u h LEU 90 CO 0.78 0.17 0.16 0.61 0.09 0.00 0.00 178.44 180.25 2k3u n GLY 91 N -0.71 1.00 3.77 0.83 0.00 -1.24 -4.51 105.19 104.32 2k3u n GLY 91 Ca -0.02 -0.95 -0.34 0.00 0.00 0.00 0.00 46.02 44.71 2k3u n GLY 91 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 2k3u s LYS 92 N -2.01 3.02 -0.78 1.61 2.47 -1.26 -4.60 119.74 118.20 2k3u s LYS 92 Ca 0.06 1.48 -0.13 0.00 -1.56 0.00 0.00 55.97 55.82 2k3u s LYS 92 Cb -0.01 -1.97 -0.10 0.00 -1.46 0.00 0.00 37.83 34.29 2k3u s LYS 92 CO 0.01 -1.09 1.95 -0.12 0.16 0.00 0.00 175.35 176.27 2k3u n MET 93 N -1.97 1.66 -0.20 4.03 0.00 -0.50 -2.32 117.12 117.82 2k3u n MET 93 Ca 0.11 -1.56 -0.00 0.00 0.00 0.00 0.00 57.70 56.25 2k3u n MET 93 Cb 0.52 -2.63 0.07 0.00 0.00 0.00 0.00 33.22 31.18 2k3u n MET 93 CO 0.00 0.00 0.00 -0.92 0.00 0.00 0.00 175.97 175.05 2k3u h TYR 94 N 7.18 -0.24 -2.41 1.12 5.03 -1.08 -3.00 116.97 123.57 2k3u h TYR 94 Ca 0.43 0.05 0.02 0.00 2.58 0.00 0.00 58.73 61.81 2k3u h TYR 94 Cb 0.38 0.20 -0.16 0.00 1.55 0.00 0.00 36.73 38.70 2k3u h TYR 94 CO 1.63 -0.24 0.33 0.21 -1.32 0.00 0.00 178.16 178.78 2k3u s LYS 95 N -6.20 1.02 0.03 1.82 2.20 -0.87 -1.70 119.74 116.04 2k3u s LYS 95 Ca -0.14 -0.19 0.01 0.00 -0.36 0.00 0.00 55.97 55.29 2k3u s LYS 95 Cb 0.19 0.47 -0.02 0.00 -1.51 0.00 0.00 37.83 36.96 2k3u s LYS 95 CO 0.73 -0.41 -0.05 0.99 -0.36 0.00 0.00 175.35 176.26 2k3u s THR 96 N -2.71 0.30 0.02 3.43 2.01 -0.05 -0.97 115.64 117.66 2k3u s THR 96 Ca -0.01 -1.07 0.04 0.00 0.31 0.00 0.00 61.69 60.96 2k3u s THR 96 Cb -0.01 -0.53 -0.01 0.00 0.01 0.00 0.00 72.50 71.96 2k3u s THR 96 CO -0.05 -0.50 -0.11 -0.31 -0.69 0.00 0.00 174.62 172.96 2k3u s TYR 97 N -1.67 0.95 0.00 4.92 1.51 0.20 -1.22 117.35 122.05 2k3u s TYR 97 Ca -0.11 -0.28 0.02 0.00 -1.01 0.00 0.00 57.07 55.69 2k3u s TYR 97 Cb -0.08 -0.59 -0.01 0.00 -0.11 0.00 0.00 41.96 41.17 2k3u s TYR 97 CO -0.01 -0.00 -0.06 -0.06 -1.11 0.00 0.00 175.55 174.31 2k3u s PHE 98 N -0.62 0.50 -0.04 2.71 0.40 0.10 -0.57 117.98 120.46 2k3u s PHE 98 Ca 0.01 -0.14 0.02 0.00 -0.60 0.00 0.00 56.93 56.22 2k3u s PHE 98 Cb -0.06 -0.32 0.01 0.00 0.51 0.00 0.00 43.02 43.16 2k3u s PHE 98 CO 0.00 -0.02 -0.08 -0.06 0.70 0.00 0.00 175.22 175.77 2k3u s PHE 99 N -0.27 1.01 0.71 0.36 0.40 -0.73 -2.45 117.98 117.01 2k3u s PHE 99 Ca 0.01 -0.31 -0.10 0.00 -0.60 0.00 0.00 56.93 55.93 2k3u s PHE 99 Cb -0.03 -0.78 0.04 0.00 0.51 0.00 0.00 43.02 42.75 2k3u s PHE 99 CO -0.00 -0.19 1.08 0.15 0.70 0.00 0.00 175.22 176.96 2k3u s LYS 100 N 0.63 2.56 -0.77 0.44 3.01 -1.26 -0.92 119.74 123.42 2k3u s LYS 100 Ca -0.10 0.20 -0.28 0.00 -1.01 0.00 0.00 55.97 54.78 2k3u s LYS 100 Cb -0.13 -2.06 -0.18 0.00 -1.01 0.00 0.00 37.83 34.44 2k3u s LYS 100 CO 0.01 -1.15 2.20 0.36 0.51 0.00 0.00 175.35 177.29 2k3u n LYS 101 N -3.01 0.00 -0.61 1.68 2.85 -0.51 -1.23 118.16 117.33 2k3u n LYS 101 Ca 0.07 0.00 0.00 0.00 -1.05 0.00 0.00 58.31 57.33 2k3u n LYS 101 Cb 0.59 -1.27 0.00 0.00 -0.65 0.00 0.00 35.03 33.70 2k3u n LYS 101 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 177.40 177.76 2k3u n GLY 102 N 5.64 0.76 3.91 2.58 0.00 -1.26 -5.07 105.19 111.75 2k3u n GLY 102 Ca 0.54 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 46.29 2k3u n GLY 102 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2k3u s GLU 103 N -0.39 3.33 -0.00 1.61 0.41 -0.37 -5.04 118.70 118.25 2k3u s GLU 103 Ca 0.00 0.17 0.15 0.00 -0.41 0.00 0.00 54.97 54.88 2k3u s GLU 103 Cb 0.00 -2.32 0.24 0.00 -1.78 0.00 0.00 34.13 30.28 2k3u s GLU 103 CO 0.00 -0.40 1.10 0.43 -0.49 0.00 0.00 175.26 175.89 2k3u n SER 104 N -2.41 0.58 -3.82 -0.19 7.64 -1.26 -4.83 113.62 109.33 2k3u n SER 104 Ca 0.02 -2.01 -0.12 0.00 1.01 0.00 0.00 58.87 57.77 2k3u n SER 104 Cb 0.56 -0.26 -0.12 0.00 -1.01 0.00 0.00 64.21 63.38 2k3u n SER 104 CO 0.00 0.00 0.00 -0.75 -3.01 0.00 0.00 175.04 171.28 2k3u s LYS 105 N -0.03 0.22 0.65 1.43 2.20 -1.26 -5.17 119.74 117.79 2k3u s LYS 105 Ca 0.19 0.18 -0.15 0.00 -0.36 0.00 0.00 55.97 55.83 2k3u s LYS 105 Cb 0.22 0.10 -0.01 0.00 -1.51 0.00 0.00 37.83 36.64 2k3u s LYS 105 CO -0.10 -0.03 1.10 -1.54 -0.36 0.00 0.00 175.35 174.42 2k3u s SER 106 N -0.04 5.23 0.00 1.43 1.04 -1.26 -4.78 113.70 115.31 2k3u s SER 106 Ca -0.01 1.95 0.00 0.00 0.48 0.00 0.00 55.95 58.36 2k3u s SER 106 Cb -0.02 -2.54 0.00 0.00 0.10 0.00 0.00 66.02 63.56 2k3u s SER 106 CO 0.00 -1.55 0.04 -1.54 0.98 0.00 0.00 173.24 171.18 2k3u n SER 107 N -2.40 0.08 -4.08 7.02 3.41 -1.02 -4.99 113.62 111.64 2k3u n SER 107 Ca 0.10 -0.43 -0.21 0.00 -0.26 0.00 0.00 58.87 58.07 2k3u n SER 107 Cb 0.52 0.63 -0.15 0.00 -0.26 0.00 0.00 64.21 64.96 2k3u n SER 107 CO 0.00 0.00 0.00 -0.47 -0.16 0.00 0.00 175.04 174.41 2k3u s TYR 108 N -0.63 1.10 0.04 7.33 5.04 -1.23 -5.05 117.35 123.95 2k3u s TYR 108 Ca 0.00 -0.22 -0.13 0.00 -2.44 0.00 0.00 57.07 54.27 2k3u s TYR 108 Cb 0.00 -0.70 0.02 0.00 0.35 0.00 0.00 41.96 41.63 2k3u s TYR 108 CO 0.00 -0.01 0.30 0.14 -1.34 0.00 0.00 175.55 174.63 2k3u s VAL 109 N -0.36 0.08 -0.09 3.14 -7.23 -1.26 -0.72 120.40 113.97 2k3u s VAL 109 Ca 0.04 -0.69 -0.05 0.00 -1.81 0.00 0.00 61.98 59.47 2k3u s VAL 109 Cb -0.05 -0.94 0.04 0.00 0.56 0.00 0.00 36.38 35.99 2k3u s VAL 109 CO -0.00 -0.38 0.21 -0.63 -0.31 0.00 0.00 175.10 173.99 2k3u s ILE 110 N -2.57 -0.03 -0.11 -0.62 1.01 -0.36 -5.00 121.20 113.52 2k3u s ILE 110 Ca -0.05 0.11 -0.05 0.00 0.00 0.00 0.00 60.65 60.66 2k3u s ILE 110 Cb -0.01 -0.33 -0.04 0.00 0.01 0.00 0.00 42.46 42.10 2k3u s ILE 110 CO -0.03 0.05 0.08 0.20 0.00 0.00 0.00 174.94 175.24 2k3u s ASN 111 N 0.93 5.92 0.32 3.58 0.01 -1.26 -0.87 114.94 123.56 2k3u s ASN 111 Ca -0.07 0.32 -0.02 0.00 -0.71 0.00 0.00 52.86 52.38 2k3u s ASN 111 Cb -0.08 -1.85 0.01 0.00 0.41 0.00 0.00 41.25 39.74 2k3u s ASN 111 CO -0.06 0.37 0.46 0.61 -1.51 0.00 0.00 177.10 176.98 2k3u n GLY 112 N 2.20 2.12 3.72 0.66 0.00 -0.69 -4.97 105.19 108.24 2k3u n GLY 112 Ca -0.19 -1.57 -0.42 0.00 0.00 0.00 0.00 46.02 43.84 2k3u n GLY 112 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2k3u s PRO 113 N -2.68 4.25 0.00 1.61 0.04 -1.14 -4.17 135.00 132.92 2k3u s PRO 113 Ca 0.26 2.28 0.00 0.00 0.04 0.00 0.00 61.00 63.57 2k3u s PRO 113 Cb -0.01 -3.16 0.00 0.00 0.04 0.00 0.00 34.50 31.36 2k3u s PRO 113 CO 0.18 -0.52 0.00 0.41 0.04 0.00 0.00 177.00 177.12 2k3u n GLY 114 N 3.29 0.32 4.54 0.56 0.00 -1.26 -1.41 105.19 111.23 2k3u n GLY 114 Ca 0.11 -0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.13 2k3u n GLY 114 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 2k3u n LYS 115 N 0.00 0.00 -3.51 1.61 0.00 -1.26 -4.81 118.16 110.19 2k3u n LYS 115 Ca 0.00 0.00 -0.09 0.00 0.00 0.00 0.00 58.31 58.22 2k3u n LYS 115 Cb 0.00 -0.86 -0.02 0.00 0.00 0.00 0.00 35.03 34.15 2k3u n LYS 115 CO 0.00 0.00 0.00 -0.08 0.00 0.00 0.00 177.40 177.32 2k3u s THR 116 N 0.00 0.00 0.15 3.15 -1.32 -1.26 -5.03 115.64 111.34 2k3u s THR 116 Ca 0.00 -0.10 0.01 0.00 -1.21 0.00 0.00 61.69 60.39 2k3u s THR 116 Cb 0.00 -1.13 -0.16 0.00 -1.51 0.00 0.00 72.50 69.70 2k3u s THR 116 CO 0.00 0.00 1.36 0.78 -2.21 0.00 0.00 174.62 174.55 2k3u h ASN 117 N 2.00 0.30 -0.62 8.08 4.21 -1.88 -3.32 115.58 124.36 2k3u h ASN 117 Ca -0.26 -0.25 -0.46 0.00 1.21 0.00 0.00 56.30 56.54 2k3u h ASN 117 Cb 1.26 -0.09 -0.11 0.00 -1.12 0.00 0.00 38.32 38.26 2k3u h ASN 117 CO 0.32 1.06 0.86 -0.62 -1.29 0.00 0.00 177.43 177.76 2k3u n GLU 118 N -3.66 2.77 -1.33 0.81 1.02 -1.26 -0.83 120.64 118.16 2k3u n GLU 118 Ca -0.04 -2.07 0.00 0.00 -0.02 0.00 0.00 57.16 55.02 2k3u n GLU 118 Cb 0.82 -2.25 0.00 0.00 -0.02 0.00 0.00 31.44 29.99 2k3u n GLU 118 CO 0.00 0.00 0.00 2.48 1.18 0.00 0.00 177.13 180.79 2k3u n TYR 119 N 1.84 -2.32 -1.88 -0.32 0.18 -1.26 -4.97 117.16 108.43 2k3u n TYR 119 Ca 0.53 1.26 0.00 0.00 1.88 0.00 0.00 57.90 61.56 2k3u n TYR 119 Cb 0.58 -1.96 0.00 0.00 -0.38 0.00 0.00 39.34 37.59 2k3u n TYR 119 CO 0.00 0.00 0.00 0.00 -2.08 0.00 0.00 176.86 174.78 2k3u n ALA 120 N -2.16 1.78 -1.28 -3.48 0.00 -1.26 -4.90 120.51 109.20 2k3u n ALA 120 Ca 0.00 -0.49 0.00 0.00 0.00 0.00 0.00 53.44 52.95 2k3u n ALA 120 Cb 0.23 -0.21 0.00 0.00 0.00 0.00 0.00 19.45 19.46 2k3u n ALA 120 CO 0.00 0.00 0.00 0.98 0.00 0.00 0.00 177.50 178.48