#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 3.41 -1.26 -5.00 113.62 117.18 2k3u n SER 32 Ca 0.00 -0.30 0.00 0.00 -0.26 0.00 0.00 58.87 58.31 2k3u n SER 32 Cb 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 63.95 2k3u n SER 32 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2k3u n GLY 33 N 0.00 0.96 3.29 5.00 0.00 -1.26 -5.13 105.19 108.05 2k3u n GLY 33 Ca 0.00 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 45.93 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 1.18 0.99 0.99 1.43 -1.26 -5.17 118.68 116.83 2k3u s LEU 34 Ca 0.00 -0.91 -0.11 0.00 -1.03 0.00 0.00 54.13 52.07 2k3u s LEU 34 Cb 0.00 1.00 0.16 0.00 0.03 0.00 0.00 46.19 47.37 2k3u s LEU 34 CO 0.00 -0.84 0.94 -0.81 0.23 0.00 0.00 176.35 175.87 2k3u n PRO 35 N -0.17 -0.88 -0.00 1.29 -0.04 -1.26 -4.20 135.00 129.74 2k3u n PRO 35 Ca -0.08 -0.21 0.02 0.00 -0.04 0.00 0.00 63.50 63.19 2k3u n PRO 35 Cb 0.63 -2.21 -0.02 0.00 -0.04 0.00 0.00 33.50 31.85 2k3u n PRO 35 CO 0.00 0.00 0.00 -2.37 -0.04 0.00 0.00 175.50 173.09 2k3u n THR 36 N -4.30 0.00 -2.91 0.52 5.66 -1.26 -4.73 114.28 107.26 2k3u n THR 36 Ca 0.09 -0.26 -0.40 0.00 -3.05 0.00 0.00 64.05 60.42 2k3u n THR 36 Cb 0.53 0.73 -0.04 0.00 -1.55 0.00 0.00 70.33 70.00 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 -1.75 4.87 0.32 1.09 -4.23 -1.26 -0.85 115.64 113.83 2k3u s THR 37 Ca 0.00 1.71 0.06 0.00 -1.18 0.00 0.00 61.69 62.29 2k3u s THR 37 Cb 0.02 -4.16 0.31 0.00 1.34 0.00 0.00 72.50 70.01 2k3u s THR 37 CO 0.14 0.26 1.83 0.25 -0.54 0.00 0.00 174.62 176.56 2k3u h LEU 38 N 6.38 0.77 -0.83 4.79 6.46 -1.38 -1.13 115.31 130.38 2k3u h LEU 38 Ca -0.42 0.06 0.13 0.00 -0.12 0.00 0.00 57.88 57.53 2k3u h LEU 38 Cb 1.21 -0.09 -0.09 0.00 -0.73 0.00 0.00 40.66 40.96 2k3u h LEU 38 CO 0.74 0.36 0.43 1.23 -0.62 0.00 0.00 178.44 180.57 2k3u h GLY 39 N 0.80 1.32 1.06 3.75 0.00 -1.42 0.98 103.07 109.56 2k3u h GLY 39 Ca 0.51 -0.26 -0.16 0.00 0.00 0.00 0.00 47.33 47.42 2k3u h GLY 39 CO -0.27 0.00 -0.45 0.50 0.00 0.00 0.00 176.54 176.32 2k3u h LYS 40 N 0.64 0.79 -0.63 4.80 1.57 -1.46 -2.50 116.57 119.79 2k3u h LYS 40 Ca 0.44 -0.48 -0.03 0.00 -1.87 0.00 0.00 60.65 58.70 2k3u h LYS 40 Cb 0.57 0.05 -0.03 0.00 0.08 0.00 0.00 32.23 32.90 2k3u h LYS 40 CO -0.33 1.11 0.26 1.25 -0.57 0.00 0.00 179.45 181.17 2k3u h LEU 41 N 0.55 0.87 -1.07 2.94 5.85 -1.01 -1.90 115.31 121.54 2k3u h LEU 41 Ca 0.02 -0.16 0.02 0.00 0.84 0.00 0.00 57.88 58.60 2k3u h LEU 41 Cb 1.05 -0.22 -0.05 0.00 0.37 0.00 0.00 40.66 41.80 2k3u h LEU 41 CO 0.10 0.79 0.63 -0.78 -0.34 0.00 0.00 178.44 178.84 2k3u h ASP 42 N 0.89 1.07 -0.27 1.25 3.58 -0.82 0.23 116.42 122.34 2k3u h ASP 42 Ca 0.21 -0.02 -0.01 0.00 0.42 0.00 0.00 57.03 57.63 2k3u h ASP 42 Cb 0.19 -0.26 -0.01 0.00 1.72 0.00 0.00 39.33 40.97 2k3u h ASP 42 CO -0.02 0.76 0.14 -0.08 -2.88 0.00 0.00 179.24 177.15 2k3u h GLU 43 N 1.25 0.39 -0.75 0.28 4.81 -1.22 -1.07 114.58 118.26 2k3u h GLU 43 Ca 0.36 -0.05 -0.02 0.00 -0.13 0.00 0.00 59.36 59.52 2k3u h GLU 43 Cb -0.08 -0.07 -0.04 0.00 0.63 0.00 0.00 28.75 29.19 2k3u h GLU 43 CO -0.09 0.36 0.40 0.00 -0.73 0.00 0.00 179.01 178.95 2k3u h ARG 44 N 0.31 1.06 -0.23 1.92 3.08 -0.85 -1.06 114.38 118.60 2k3u h ARG 44 Ca 0.09 -0.13 -0.12 0.00 0.07 0.00 0.00 59.98 59.89 2k3u h ARG 44 Cb 0.10 -0.20 -0.01 0.00 0.08 0.00 0.00 29.97 29.94 2k3u h ARG 44 CO -0.01 0.80 -0.36 -0.07 -1.07 0.00 0.00 179.97 179.26 2k3u h LEU 45 N 1.04 0.54 -0.94 3.04 3.38 -0.36 0.25 115.31 122.27 2k3u h LEU 45 Ca 0.26 -0.22 -0.11 0.00 0.09 0.00 0.00 57.88 57.90 2k3u h LEU 45 Cb 0.06 -0.15 -0.01 0.00 0.09 0.00 0.00 40.66 40.65 2k3u h LEU 45 CO -0.04 0.85 -0.48 0.03 0.09 0.00 0.00 178.44 178.90 2k3u h ARG 46 N 0.43 0.12 -0.16 1.13 3.08 -1.09 -1.77 114.38 116.12 2k3u h ARG 46 Ca 0.05 -0.07 -0.02 0.00 0.07 0.00 0.00 59.98 60.01 2k3u h ARG 46 Cb 0.83 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.88 2k3u h ARG 46 CO 0.07 0.58 0.04 -0.91 -1.07 0.00 0.00 179.97 178.68 2k3u h ASN 47 N 0.10 0.25 -0.64 7.04 2.35 -0.63 -3.06 115.58 120.99 2k3u h ASN 47 Ca 0.00 -0.23 0.13 0.00 -0.55 0.00 0.00 56.30 55.65 2k3u h ASN 47 Cb 0.88 -0.06 -0.04 0.00 0.05 0.00 0.00 38.32 39.15 2k3u h ASN 47 CO 0.07 0.41 0.43 1.88 -1.65 0.00 0.00 177.43 178.58 2k3u h TYR 48 N 0.07 0.33 0.07 1.19 0.05 -0.19 0.82 116.97 119.30 2k3u h TYR 48 Ca 0.05 0.01 -0.00 0.00 0.05 0.00 0.00 58.73 58.84 2k3u h TYR 48 Cb 0.27 -0.10 0.00 0.00 1.01 0.00 0.00 36.73 37.90 2k3u h TYR 48 CO 0.01 0.14 -0.04 -0.07 -1.05 0.00 0.00 178.16 177.15 2k3u h LEU 49 N 0.29 -0.08 -0.46 3.88 3.38 -1.28 -0.75 115.31 120.28 2k3u h LEU 49 Ca 0.31 -0.26 -0.11 0.00 0.09 0.00 0.00 57.88 57.91 2k3u h LEU 49 Cb 0.80 0.02 -0.01 0.00 0.09 0.00 0.00 40.66 41.56 2k3u h LEU 49 CO -0.07 0.21 -0.15 0.11 0.09 0.00 0.00 178.44 178.63 2k3u h LYS 50 N -0.39 0.91 0.00 1.13 1.57 -1.25 -0.54 116.57 118.00 2k3u h LYS 50 Ca -0.01 -0.37 -0.04 0.00 -1.87 0.00 0.00 60.65 58.37 2k3u h LYS 50 Cb 0.33 -0.04 -0.01 0.00 0.08 0.00 0.00 32.23 32.60 2k3u h LYS 50 CO 0.02 1.02 -0.18 0.87 -0.57 0.00 0.00 179.45 180.61 2k3u h LYS 51 N 0.75 0.00 0.00 3.15 1.79 -0.96 -3.38 116.57 117.91 2k3u h LYS 51 Ca 0.11 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.58 2k3u h LYS 51 Cb 0.71 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.36 2k3u h LYS 51 CO 0.05 0.18 0.00 0.41 -1.08 0.00 0.00 179.45 179.01 2k3u n GLY 52 N -0.90 0.83 3.44 3.86 0.00 -0.29 -5.04 105.19 107.09 2k3u n GLY 52 Ca -0.02 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 -0.69 2.38 0.26 2.61 -4.23 -0.23 -5.00 115.64 110.74 2k3u s THR 53 Ca 0.00 -2.27 0.01 0.00 -1.18 0.00 0.00 61.69 58.25 2k3u s THR 53 Cb 0.00 -2.22 0.03 0.00 1.34 0.00 0.00 72.50 71.66 2k3u s THR 53 CO 0.00 -0.32 1.66 0.11 -0.54 0.00 0.00 174.62 175.53 2k3u h LYS 54 N 2.60 0.49 -2.49 3.99 1.57 -1.91 -3.43 116.57 117.40 2k3u h LYS 54 Ca -0.42 -0.22 -0.23 0.00 -1.87 0.00 0.00 60.65 57.92 2k3u h LYS 54 Cb 1.24 -0.01 -0.33 0.00 0.08 0.00 0.00 32.23 33.21 2k3u h LYS 54 CO 0.56 0.76 -0.54 1.21 -0.57 0.00 0.00 179.45 180.87 2k3u s ASN 55 N -6.83 0.67 0.35 0.86 2.47 -1.26 -5.03 114.94 106.16 2k3u s ASN 55 Ca -0.07 0.23 0.26 0.00 0.42 0.00 0.00 52.86 53.70 2k3u s ASN 55 Cb 0.13 0.72 0.79 0.00 -1.45 0.00 0.00 41.25 41.44 2k3u s ASN 55 CO 0.80 -0.29 1.75 0.77 -3.72 0.00 0.00 177.10 176.42 2k3u h SER 56 N 8.27 0.00 0.00 -4.21 4.64 -1.82 -3.37 113.55 117.05 2k3u h SER 56 Ca -0.17 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.15 2k3u h SER 56 Cb 1.14 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.23 2k3u h SER 56 CO 0.22 0.00 0.00 0.00 -0.87 0.00 0.00 176.83 176.18 2k3u n ALA 57 N -1.93 2.25 0.56 5.18 0.00 -1.26 -2.95 120.51 122.36 2k3u n ALA 57 Ca 0.04 -0.05 0.07 0.00 0.00 0.00 0.00 53.44 53.49 2k3u n ALA 57 Cb 0.40 -1.12 -0.08 0.00 0.00 0.00 0.00 19.45 18.65 2k3u n ALA 57 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2k3u n GLN 58 N -0.67 2.21 -3.19 0.00 10.64 -1.26 -5.03 117.38 120.08 2k3u n GLN 58 Ca 0.06 -0.02 -0.36 0.00 -1.83 0.00 0.00 57.00 54.85 2k3u n GLN 58 Cb 0.03 -1.17 -0.06 0.00 -0.86 0.00 0.00 30.24 28.18 2k3u n GLN 58 CO 0.00 0.00 0.00 -0.06 -1.83 0.00 0.00 177.06 175.17 2k3u s PHE 59 N -2.38 3.66 0.00 2.61 0.08 -1.15 -1.26 117.98 119.53 2k3u s PHE 59 Ca 0.04 1.28 0.00 0.00 0.12 0.00 0.00 56.93 58.37 2k3u s PHE 59 Cb 0.10 -2.53 0.00 0.00 -0.57 0.00 0.00 43.02 40.02 2k3u s PHE 59 CO 0.56 0.39 0.00 -1.91 -0.10 0.00 0.00 175.22 174.17 2k3u n GLU 60 N 0.87 2.88 -3.99 0.44 2.13 -0.14 -4.56 120.64 118.27 2k3u n GLU 60 Ca -0.04 0.00 -0.09 0.00 0.66 0.00 0.00 57.16 57.68 2k3u n GLU 60 Cb 0.51 -0.89 -0.05 0.00 0.27 0.00 0.00 31.44 31.29 2k3u n GLU 60 CO 0.00 0.00 0.00 -1.59 -0.41 0.00 0.00 177.13 175.13 2k3u s LYS 61 N -1.75 1.63 0.08 5.31 -2.85 -1.18 -0.18 119.74 120.79 2k3u s LYS 61 Ca 0.00 -1.30 -0.07 0.00 -1.00 0.00 0.00 55.97 53.60 2k3u s LYS 61 Cb 0.00 0.48 -0.01 0.00 -2.06 0.00 0.00 37.83 36.24 2k3u s LYS 61 CO 0.00 -0.68 0.14 0.00 0.10 0.00 0.00 175.35 174.91 2k3u s MET 62 N -3.84 0.79 -0.10 1.78 0.23 -0.21 -1.77 119.30 116.18 2k3u s MET 62 Ca 0.22 -1.01 -0.08 0.00 -1.03 0.00 0.00 55.69 53.80 2k3u s MET 62 Cb -0.01 0.31 0.03 0.00 -1.53 0.00 0.00 34.83 33.63 2k3u s MET 62 CO 0.10 -0.23 0.25 0.54 -2.03 0.00 0.00 175.02 173.65 2k3u s VAL 63 N -3.83 -0.01 -0.08 5.16 0.11 -0.38 -0.93 120.40 120.45 2k3u s VAL 63 Ca 0.05 0.03 0.03 0.00 -2.93 0.00 0.00 61.98 59.16 2k3u s VAL 63 Cb 0.05 -0.36 0.01 0.00 -1.53 0.00 0.00 36.38 34.55 2k3u s VAL 63 CO -0.11 0.01 -0.15 -0.63 -3.33 0.00 0.00 175.10 170.89 2k3u s ILE 64 N 0.39 1.40 -0.09 7.04 1.01 0.17 -0.95 121.20 130.17 2k3u s ILE 64 Ca -0.02 -0.63 0.04 0.00 0.00 0.00 0.00 60.65 60.04 2k3u s ILE 64 Cb -0.04 -1.26 0.00 0.00 0.01 0.00 0.00 42.46 41.18 2k3u s ILE 64 CO -0.02 0.42 -0.22 -0.76 0.00 0.00 0.00 174.94 174.36 2k3u s LEU 65 N 0.62 2.02 0.45 2.97 1.43 0.15 -1.89 118.68 124.43 2k3u s LEU 65 Ca -0.15 -0.51 0.04 0.00 -1.03 0.00 0.00 54.13 52.48 2k3u s LEU 65 Cb -0.16 -1.31 -0.04 0.00 0.03 0.00 0.00 46.19 44.71 2k3u s LEU 65 CO 0.04 0.15 0.02 0.42 0.23 0.00 0.00 176.35 177.21 2k3u s THR 66 N 0.33 1.39 1.10 5.49 -4.23 -0.88 -1.84 115.64 117.00 2k3u s THR 66 Ca -0.16 -2.00 -0.16 0.00 -1.18 0.00 0.00 61.69 58.19 2k3u s THR 66 Cb -0.17 -2.51 0.14 0.00 1.34 0.00 0.00 72.50 71.30 2k3u s THR 66 CO 0.08 0.00 0.35 -0.62 -0.54 0.00 0.00 174.62 173.89 2k3u n GLU 67 N -1.09 -1.53 -2.11 3.99 1.02 -0.18 -3.45 120.64 117.29 2k3u n GLU 67 Ca -0.12 -0.42 -0.19 0.00 -0.02 0.00 0.00 57.16 56.41 2k3u n GLU 67 Cb 0.67 -1.86 -0.04 0.00 -0.02 0.00 0.00 31.44 30.19 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 -2.48 -5.41 -3.59 1.62 3.02 -0.56 -3.04 115.26 104.82 2k3u n ASN 68 Ca 0.03 0.18 -0.24 0.00 -0.03 0.00 0.00 54.58 54.52 2k3u n ASN 68 Cb 0.58 -4.62 -0.03 0.00 -0.61 0.00 0.00 39.78 35.10 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 -2.73 -2.22 -1.86 3.52 5.02 -0.23 -4.87 118.16 114.79 2k3u n LYS 69 Ca -0.22 0.20 -0.40 0.00 -2.02 0.00 0.00 58.31 55.88 2k3u n LYS 69 Cb 0.66 -4.80 0.01 0.00 -0.02 0.00 0.00 35.03 30.88 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 -2.73 2.91 -0.04 0.72 0.00 -1.17 -4.89 107.32 102.13 2k3u s GLY 70 Ca 0.46 1.39 -0.01 0.00 0.00 0.00 0.00 44.72 46.56 2k3u s GLY 70 CO 0.57 1.99 0.08 -0.47 0.00 0.00 0.00 173.10 175.27 2k3u s TYR 71 N -1.23 -0.06 -0.12 1.90 6.14 -1.26 -2.07 117.35 120.65 2k3u s TYR 71 Ca 0.61 0.28 -0.06 0.00 0.64 0.00 0.00 57.07 58.54 2k3u s TYR 71 Cb -0.42 -0.15 0.05 0.00 0.42 0.00 0.00 41.96 41.86 2k3u s TYR 71 CO 0.53 -0.12 0.29 0.71 0.64 0.00 0.00 175.55 177.60 2k3u s TYR 72 N 1.04 -0.40 -0.05 4.97 1.51 -0.79 -4.99 117.35 118.62 2k3u s TYR 72 Ca -0.08 0.92 0.00 0.00 -1.01 0.00 0.00 57.07 56.89 2k3u s TYR 72 Cb -0.11 0.11 -0.03 0.00 -0.11 0.00 0.00 41.96 41.81 2k3u s TYR 72 CO -0.04 -0.26 -0.03 0.99 -1.11 0.00 0.00 175.55 175.10 2k3u s THR 73 N 1.29 4.04 -0.07 -0.71 2.01 -1.26 -0.65 115.64 120.29 2k3u s THR 73 Ca -0.09 -0.44 -0.03 0.00 0.31 0.00 0.00 61.69 61.44 2k3u s THR 73 Cb -0.10 -2.71 0.04 0.00 0.01 0.00 0.00 72.50 69.74 2k3u s THR 73 CO -0.10 0.54 0.14 -0.69 -0.69 0.00 0.00 174.62 173.82 2k3u s VAL 74 N -0.91 -0.16 0.44 3.82 1.01 -0.10 -4.99 120.40 119.50 2k3u s VAL 74 Ca 0.15 0.29 -0.22 0.00 0.00 0.00 0.00 61.98 62.20 2k3u s VAL 74 Cb -0.11 -0.25 -0.09 0.00 0.00 0.00 0.00 36.38 35.93 2k3u s VAL 74 CO 0.04 0.12 1.05 -0.31 0.00 0.00 0.00 175.10 176.00 2k3u s TYR 75 N 1.83 3.12 -0.60 5.22 1.51 -1.26 -1.04 117.35 126.13 2k3u s TYR 75 Ca -0.02 1.61 0.14 0.00 -1.01 0.00 0.00 57.07 57.79 2k3u s TYR 75 Cb -0.12 -3.11 -0.15 0.00 -0.11 0.00 0.00 41.96 38.47 2k3u s TYR 75 CO -0.05 -0.76 0.56 1.28 -1.11 0.00 0.00 175.55 175.47 2k3u n LEU 76 N -0.52 0.59 0.18 -1.29 4.77 0.74 -4.21 117.00 117.26 2k3u n LEU 76 Ca 0.07 -0.46 0.12 0.00 -0.03 0.00 0.00 56.01 55.71 2k3u n LEU 76 Cb 0.51 0.00 0.64 0.00 -2.33 0.00 0.00 43.42 42.24 2k3u n LEU 76 CO 0.42 0.15 0.86 0.78 -1.33 0.00 0.00 177.39 178.27 2k3u h ASN 77 N 0.00 0.00 -5.15 -1.43 2.35 -1.78 -3.45 115.58 106.12 2k3u h ASN 77 Ca 0.00 0.00 -0.09 0.00 -0.55 0.00 0.00 56.30 55.66 2k3u h ASN 77 Cb 0.35 0.00 -0.14 0.00 0.05 0.00 0.00 38.32 38.58 2k3u h ASN 77 CO 0.00 0.00 -0.36 0.42 -1.65 0.00 0.00 177.43 175.84 2k3u s THR 78 N -3.59 0.14 0.83 2.81 -4.23 -1.26 -5.17 115.64 105.17 2k3u s THR 78 Ca -0.02 -1.14 -0.13 0.00 -1.18 0.00 0.00 61.69 59.22 2k3u s THR 78 Cb 0.07 -1.31 0.09 0.00 1.34 0.00 0.00 72.50 72.70 2k3u s THR 78 CO 0.22 -0.63 1.19 -2.84 -0.54 0.00 0.00 174.62 172.02 2k3u s PRO 79 N -3.77 1.54 0.56 3.99 0.02 -1.26 -4.84 135.00 131.24 2k3u s PRO 79 Ca 0.04 1.69 -0.20 0.00 0.02 0.00 0.00 61.00 62.55 2k3u s PRO 79 Cb 0.04 -1.77 -0.05 0.00 0.02 0.00 0.00 34.50 32.74 2k3u s PRO 79 CO -0.11 -2.27 1.19 -0.48 -0.33 0.00 0.00 177.00 175.00 2k3u s LEU 80 N -5.89 3.74 0.66 -5.54 2.34 -1.26 -4.97 118.68 107.76 2k3u s LEU 80 Ca 0.71 2.33 -0.17 0.00 0.06 0.00 0.00 54.13 57.06 2k3u s LEU 80 Cb -0.27 -4.54 -0.00 0.00 -0.56 0.00 0.00 46.19 40.82 2k3u s LEU 80 CO 0.52 -1.39 1.27 0.00 -1.06 0.00 0.00 176.35 175.68 2k3u s ALA 81 N -1.63 2.33 0.63 1.48 0.00 -1.26 -4.84 121.76 118.47 2k3u s ALA 81 Ca 0.74 1.12 0.36 0.00 0.00 0.00 0.00 51.96 54.18 2k3u s ALA 81 Cb -0.29 -3.53 2.07 0.00 0.00 0.00 0.00 23.12 21.38 2k3u s ALA 81 CO 0.32 -1.62 2.29 1.05 0.00 0.00 0.00 175.76 177.79 2k3u h GLU 82 N 0.39 0.00 0.00 0.00 4.11 -2.00 -0.41 114.58 116.66 2k3u h GLU 82 Ca -0.50 0.00 -0.00 0.00 0.07 0.00 0.00 59.36 58.93 2k3u h GLU 82 Cb 1.32 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 30.57 2k3u h GLU 82 CO 0.52 0.00 -0.00 -0.44 0.07 0.00 0.00 179.01 179.16 2k3u h ASP 83 N 0.00 0.00 0.00 3.06 3.32 -2.04 -3.17 116.42 117.59 2k3u h ASP 83 Ca 0.01 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.06 2k3u h ASP 83 Cb 0.06 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.61 2k3u h ASP 83 CO -0.00 0.00 -0.35 0.54 -1.72 0.00 0.00 179.24 177.71 2k3u n ARG 84 N -3.14 4.71 0.29 3.56 1.74 -0.19 -4.65 116.66 118.99 2k3u n ARG 84 Ca -0.03 -0.00 0.17 0.00 -0.77 0.00 0.00 57.85 57.22 2k3u n ARG 84 Cb 0.10 -0.71 0.89 0.00 -1.02 0.00 0.00 32.46 31.72 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 0.00 0.00 5.56 1.57 -1.46 -2.85 116.57 119.39 2k3u h LYS 85 Ca 0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 2k3u h LYS 85 Cb 0.06 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.37 2k3u h LYS 85 CO 0.00 0.05 0.00 0.09 -0.57 0.00 0.00 179.45 179.02 2k3u n ASN 86 N -3.41 0.30 -4.75 0.86 4.13 -1.26 -3.04 115.26 108.09 2k3u n ASN 86 Ca -0.02 -1.07 -0.41 0.00 1.68 0.00 0.00 54.58 54.77 2k3u n ASN 86 Cb 0.18 0.00 -0.04 0.00 -1.54 0.00 0.00 39.78 38.38 2k3u n ASN 86 CO 0.00 0.00 0.00 0.54 0.28 0.00 0.00 177.26 178.08 2k3u s VAL 87 N -0.07 3.77 -0.10 2.41 0.11 -1.22 -4.81 120.40 120.49 2k3u s VAL 87 Ca 0.00 1.64 -0.26 0.00 -2.93 0.00 0.00 61.98 60.43 2k3u s VAL 87 Cb 0.00 -4.05 -0.02 0.00 -1.53 0.00 0.00 36.38 30.78 2k3u s VAL 87 CO 0.00 0.34 0.84 -1.61 -3.33 0.00 0.00 175.10 171.34 2k3u s GLU 88 N -0.86 4.41 0.32 1.54 2.02 -1.26 -1.44 118.70 123.43 2k3u s GLU 88 Ca 0.46 1.10 -0.29 0.00 0.02 0.00 0.00 54.97 56.27 2k3u s GLU 88 Cb -0.30 -3.51 -0.10 0.00 0.10 0.00 0.00 34.13 30.32 2k3u s GLU 88 CO 0.37 -0.16 1.40 -0.51 0.02 0.00 0.00 175.26 176.38 2k3u s LEU 89 N 1.51 4.38 0.59 1.80 1.43 -0.03 -4.96 118.68 123.41 2k3u s LEU 89 Ca 0.42 2.79 0.36 0.00 -1.03 0.00 0.00 54.13 56.67 2k3u s LEU 89 Cb -0.18 -3.65 1.86 0.00 0.03 0.00 0.00 46.19 44.25 2k3u s LEU 89 CO 0.18 -0.68 2.19 -0.07 0.23 0.00 0.00 176.35 178.20 2k3u h LEU 90 N 3.72 0.00 0.00 1.79 3.38 -1.91 -3.47 115.31 118.82 2k3u h LEU 90 Ca -0.49 0.00 0.14 0.00 0.09 0.00 0.00 57.88 57.62 2k3u h LEU 90 Cb 1.23 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 41.95 2k3u h LEU 90 CO 0.68 0.04 0.42 0.61 0.09 0.00 0.00 178.44 180.28 2k3u n GLY 91 N -0.75 0.67 3.74 0.83 0.00 -1.24 -4.57 105.19 103.88 2k3u n GLY 91 Ca -0.02 -1.00 -0.41 0.00 0.00 0.00 0.00 46.02 44.59 2k3u n GLY 91 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 2k3u n LYS 92 N -0.46 2.34 -1.90 1.61 4.81 -1.26 -4.50 118.16 118.80 2k3u n LYS 92 Ca 0.01 0.82 -0.42 0.00 -0.87 0.00 0.00 58.31 57.85 2k3u n LYS 92 Cb 0.33 -2.55 -0.03 0.00 0.02 0.00 0.00 35.03 32.80 2k3u n LYS 92 CO 0.00 0.00 0.00 1.41 1.17 0.00 0.00 177.40 179.98 2k3u s MET 93 N -2.17 4.20 -0.10 1.64 -2.45 -1.26 -1.01 119.30 118.15 2k3u s MET 93 Ca 0.57 2.41 0.02 0.00 -1.25 0.00 0.00 55.69 57.44 2k3u s MET 93 Cb -0.49 -3.13 -0.07 0.00 1.25 0.00 0.00 34.83 32.39 2k3u s MET 93 CO 0.61 -0.61 -0.07 0.98 1.05 0.00 0.00 175.02 176.97 2k3u n TYR 94 N 3.70 0.00 -3.53 4.11 9.36 -0.77 -1.17 117.16 128.86 2k3u n TYR 94 Ca 0.13 0.00 -0.15 0.00 3.32 0.00 0.00 57.90 61.20 2k3u n TYR 94 Cb 0.38 -0.41 -0.05 0.00 -0.63 0.00 0.00 39.34 38.63 2k3u n TYR 94 CO 0.00 0.00 0.00 0.21 0.22 0.00 0.00 176.86 177.29 2k3u s LYS 95 N -2.21 1.08 0.03 2.98 2.20 -0.78 -0.71 119.74 122.34 2k3u s LYS 95 Ca -0.13 -0.06 0.03 0.00 -0.36 0.00 0.00 55.97 55.45 2k3u s LYS 95 Cb 0.03 0.50 -0.02 0.00 -1.51 0.00 0.00 37.83 36.84 2k3u s LYS 95 CO 0.26 -0.38 -0.08 0.99 -0.36 0.00 0.00 175.35 175.77 2k3u s THR 96 N -2.11 0.61 -0.03 3.43 2.01 0.17 -0.67 115.64 119.05 2k3u s THR 96 Ca -0.07 -0.88 0.04 0.00 0.31 0.00 0.00 61.69 61.09 2k3u s THR 96 Cb -0.01 -0.62 -0.01 0.00 0.01 0.00 0.00 72.50 71.87 2k3u s THR 96 CO 0.01 -0.21 -0.15 -0.31 -0.69 0.00 0.00 174.62 173.27 2k3u s TYR 97 N -1.02 1.44 0.01 4.92 1.51 -0.13 -1.42 117.35 122.67 2k3u s TYR 97 Ca -0.05 -0.34 0.04 0.00 -1.01 0.00 0.00 57.07 55.70 2k3u s TYR 97 Cb -0.08 -0.96 -0.01 0.00 -0.11 0.00 0.00 41.96 40.80 2k3u s TYR 97 CO 0.00 -0.09 -0.12 -0.06 -1.11 0.00 0.00 175.55 174.18 2k3u s PHE 98 N -0.13 1.04 -0.08 2.71 0.40 0.27 -1.24 117.98 120.94 2k3u s PHE 98 Ca 0.01 -0.27 0.00 0.00 -0.60 0.00 0.00 56.93 56.07 2k3u s PHE 98 Cb -0.08 -0.64 0.02 0.00 0.51 0.00 0.00 43.02 42.83 2k3u s PHE 98 CO 0.01 -0.00 -0.06 -0.06 0.70 0.00 0.00 175.22 175.80 2k3u s PHE 99 N -0.56 1.14 1.04 0.36 0.40 -0.73 -1.08 117.98 118.54 2k3u s PHE 99 Ca 0.02 -0.46 -0.12 0.00 -0.60 0.00 0.00 56.93 55.77 2k3u s PHE 99 Cb -0.06 -0.98 0.21 0.00 0.51 0.00 0.00 43.02 42.70 2k3u s PHE 99 CO 0.00 -0.35 1.07 0.15 0.70 0.00 0.00 175.22 176.79 2k3u s LYS 100 N 1.37 0.11 -0.42 0.44 3.01 -1.26 -0.97 119.74 122.02 2k3u s LYS 100 Ca -0.03 0.85 -0.38 0.00 -1.01 0.00 0.00 55.97 55.41 2k3u s LYS 100 Cb -0.14 -1.67 -0.16 0.00 -1.01 0.00 0.00 37.83 34.85 2k3u s LYS 100 CO -0.03 -3.04 1.72 0.36 0.51 0.00 0.00 175.35 174.87 2k3u n LYS 101 N -4.44 0.00 -0.85 1.68 2.85 -0.39 -1.04 118.16 115.97 2k3u n LYS 101 Ca 0.05 0.00 0.00 0.00 -1.05 0.00 0.00 58.31 57.31 2k3u n LYS 101 Cb 0.55 -1.27 0.00 0.00 -0.65 0.00 0.00 35.03 33.66 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 5.73 1.19 3.79 2.58 0.00 -1.26 -5.04 105.19 112.18 2k3u n GLY 102 Ca 0.42 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 46.09 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 -0.04 3.85 0.00 1.61 2.02 -0.21 -4.98 118.70 120.96 2k3u s GLU 103 Ca 0.00 1.51 0.00 0.00 0.02 0.00 0.00 54.97 56.50 2k3u s GLU 103 Cb 0.00 -2.27 0.00 0.00 0.10 0.00 0.00 34.13 31.96 2k3u s GLU 103 CO 0.00 -0.41 0.53 -1.13 0.02 0.00 0.00 175.26 174.27 2k3u n SER 104 N -0.65 0.94 -3.75 -0.19 3.41 -1.26 -4.86 113.62 107.26 2k3u n SER 104 Ca 0.08 -1.25 -0.20 0.00 -0.26 0.00 0.00 58.87 57.24 2k3u n SER 104 Cb 0.51 0.00 -0.17 0.00 -0.26 0.00 0.00 64.21 64.28 2k3u n SER 104 CO 0.00 0.00 0.00 -0.75 -0.16 0.00 0.00 175.04 174.13 2k3u s LYS 105 N -0.25 0.26 0.90 4.33 2.20 -1.26 -5.15 119.74 120.77 2k3u s LYS 105 Ca 0.00 0.19 -0.13 0.00 -0.36 0.00 0.00 55.97 55.67 2k3u s LYS 105 Cb 0.00 -0.64 0.06 0.00 -1.51 0.00 0.00 37.83 35.74 2k3u s LYS 105 CO 0.00 -0.25 0.67 -1.13 -0.36 0.00 0.00 175.35 174.28 2k3u n SER 106 N 4.84 -1.11 0.00 1.43 3.41 -1.26 -4.93 113.62 115.99 2k3u n SER 106 Ca -0.13 0.41 0.00 0.00 -0.26 0.00 0.00 58.87 58.89 2k3u n SER 106 Cb 0.50 -1.30 0.00 0.00 -0.26 0.00 0.00 64.21 63.15 2k3u n SER 106 CO 0.00 0.00 0.00 -0.24 -0.16 0.00 0.00 175.04 174.64 2k3u n SER 107 N -2.03 2.90 -4.03 4.04 2.88 -0.24 -4.98 113.62 112.15 2k3u n SER 107 Ca 0.09 -0.10 -0.18 0.00 -1.33 0.00 0.00 58.87 57.36 2k3u n SER 107 Cb 0.52 0.77 -0.14 0.00 -0.75 0.00 0.00 64.21 64.61 2k3u n SER 107 CO 0.00 0.00 0.00 -0.47 -1.23 0.00 0.00 175.04 173.34 2k3u s TYR 108 N -1.35 0.81 0.03 0.66 5.04 -1.15 -5.03 117.35 116.36 2k3u s TYR 108 Ca 0.00 -0.20 -0.09 0.00 -2.44 0.00 0.00 57.07 54.34 2k3u s TYR 108 Cb 0.00 -0.51 0.00 0.00 0.35 0.00 0.00 41.96 41.80 2k3u s TYR 108 CO 0.00 -0.01 0.18 0.14 -1.34 0.00 0.00 175.55 174.52 2k3u s VAL 109 N -0.39 0.10 -0.10 3.14 -7.23 -1.26 -0.57 120.40 114.09 2k3u s VAL 109 Ca 0.02 -0.84 -0.04 0.00 -1.81 0.00 0.00 61.98 59.31 2k3u s VAL 109 Cb -0.04 -0.78 0.05 0.00 0.56 0.00 0.00 36.38 36.16 2k3u s VAL 109 CO -0.00 -0.46 0.22 -0.63 -0.31 0.00 0.00 175.10 173.92 2k3u s ILE 110 N -2.22 -0.15 0.42 -0.62 1.01 -0.51 -5.00 121.20 114.14 2k3u s ILE 110 Ca -0.08 0.21 -0.00 0.00 0.00 0.00 0.00 60.65 60.78 2k3u s ILE 110 Cb -0.03 -0.35 -0.01 0.00 0.01 0.00 0.00 42.46 42.07 2k3u s ILE 110 CO -0.02 0.09 0.65 0.20 0.00 0.00 0.00 174.94 175.85 2k3u s ASN 111 N 1.63 5.99 0.19 3.58 0.01 -1.26 -0.66 114.94 124.43 2k3u s ASN 111 Ca -0.05 0.38 -0.09 0.00 -0.71 0.00 0.00 52.86 52.38 2k3u s ASN 111 Cb -0.11 -1.73 -0.01 0.00 0.41 0.00 0.00 41.25 39.81 2k3u s ASN 111 CO -0.08 -0.58 0.33 -0.83 -1.51 0.00 0.00 177.10 174.43 2k3u s GLY 112 N -4.16 0.60 -0.08 0.66 0.00 0.11 -4.86 107.32 99.59 2k3u s GLY 112 Ca 0.46 -0.96 0.00 0.00 0.00 0.00 0.00 44.72 44.22 2k3u s GLY 112 CO 0.38 -0.82 1.70 -1.55 0.00 0.00 0.00 173.10 172.80 2k3u n PRO 113 N -0.28 1.20 0.05 2.90 -0.04 -0.83 -3.92 135.00 134.07 2k3u n PRO 113 Ca -0.05 -0.41 0.12 0.00 -0.04 0.00 0.00 63.50 63.13 2k3u n PRO 113 Cb 0.63 -1.16 0.10 0.00 -0.04 0.00 0.00 33.50 33.03 2k3u n PRO 113 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 2k3u n GLY 114 N 0.88 -1.32 3.96 0.55 0.00 -0.32 -4.89 105.19 104.06 2k3u n GLY 114 Ca 0.08 -0.32 0.00 0.00 0.00 0.00 0.00 46.02 45.78 2k3u n GLY 114 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 2k3u n LYS 115 N -2.05 0.00 -3.60 1.61 5.02 -1.25 -4.75 118.16 113.15 2k3u n LYS 115 Ca 0.03 0.00 -0.04 0.00 -2.02 0.00 0.00 58.31 56.27 2k3u n LYS 115 Cb 0.44 -3.01 -0.02 0.00 -0.02 0.00 0.00 35.03 32.42 2k3u n LYS 115 CO 0.00 0.00 0.00 -0.08 -0.52 0.00 0.00 177.40 176.80 2k3u s THR 116 N -0.69 0.00 -0.40 -0.18 -1.32 -1.26 -5.01 115.64 106.78 2k3u s THR 116 Ca 0.00 -0.01 0.23 0.00 -1.21 0.00 0.00 61.69 60.70 2k3u s THR 116 Cb 0.00 -1.05 0.26 0.00 -1.51 0.00 0.00 72.50 70.21 2k3u s THR 116 CO 0.00 0.00 1.49 0.78 -2.21 0.00 0.00 174.62 174.68 2k3u h ASN 117 N 2.00 0.00 -0.61 8.08 4.21 -1.86 -3.33 115.58 124.08 2k3u h ASN 117 Ca -0.10 -0.00 -0.54 0.00 1.21 0.00 0.00 56.30 56.87 2k3u h ASN 117 Cb 1.17 0.00 -0.05 0.00 -1.12 0.00 0.00 38.32 38.31 2k3u h ASN 117 CO 0.23 0.00 1.82 -0.62 -1.29 0.00 0.00 177.43 177.57 2k3u n GLU 118 N -3.00 2.46 -3.09 0.81 1.02 -1.26 -1.06 120.64 116.52 2k3u n GLU 118 Ca 0.03 -2.85 -0.18 0.00 -0.02 0.00 0.00 57.16 54.15 2k3u n GLU 118 Cb 0.53 -3.55 -0.01 0.00 -0.02 0.00 0.00 31.44 28.39 2k3u n GLU 118 CO 0.00 0.00 0.00 0.66 1.18 0.00 0.00 177.13 178.97 2k3u n TYR 119 N 10.60 -1.69 -4.11 -0.32 4.01 -1.26 -2.36 117.16 122.02 2k3u n TYR 119 Ca 0.48 0.30 -0.30 0.00 -0.16 0.00 0.00 57.90 58.21 2k3u n TYR 119 Cb 0.46 -2.48 -0.04 0.00 -0.31 0.00 0.00 39.34 36.97 2k3u n TYR 119 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 2k3u n ALA 120 N -3.08 -1.73 -1.23 -0.72 0.00 -1.26 -4.83 120.51 107.67 2k3u n ALA 120 Ca -0.03 -0.20 0.00 0.00 0.00 0.00 0.00 53.44 53.21 2k3u n ALA 120 Cb 0.54 -2.12 0.00 0.00 0.00 0.00 0.00 19.45 17.87 2k3u n ALA 120 CO 0.00 0.00 0.00 0.98 0.00 0.00 0.00 177.50 178.48