#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 -2.56 1.20 2.88 -1.26 -4.98 113.62 108.90 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 -1.31 3.66 0.46 0.00 -1.26 -4.98 105.19 101.76 2k3u n GLY 33 Ca 0.00 -1.59 -0.42 0.00 0.00 0.00 0.00 46.02 44.00 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 4.29 0.63 0.99 1.43 -1.26 -5.03 118.68 119.73 2k3u s LEU 34 Ca 0.00 2.17 -0.08 0.00 -1.03 0.00 0.00 54.13 55.19 2k3u s LEU 34 Cb 0.00 -3.53 0.00 0.00 0.03 0.00 0.00 46.19 42.69 2k3u s LEU 34 CO 0.00 -0.94 0.98 -2.16 0.23 0.00 0.00 176.35 174.47 2k3u s PRO 35 N 4.04 2.99 0.00 1.29 0.04 -1.26 -5.03 135.00 137.08 2k3u s PRO 35 Ca 0.72 0.25 0.00 0.00 0.04 0.00 0.00 61.00 62.02 2k3u s PRO 35 Cb -0.32 -2.16 0.00 0.00 0.04 0.00 0.00 34.50 32.05 2k3u s PRO 35 CO 0.29 -0.79 0.20 -2.37 0.04 0.00 0.00 177.00 174.37 2k3u n THR 36 N -2.74 0.00 -4.47 1.26 5.66 -1.26 -4.93 114.28 107.80 2k3u n THR 36 Ca 0.05 0.00 -0.20 0.00 -3.05 0.00 0.00 64.05 60.85 2k3u n THR 36 Cb 0.57 0.96 -0.15 0.00 -1.55 0.00 0.00 70.33 70.16 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 0.88 0.27 1.09 -4.23 -1.26 -0.93 115.64 111.46 2k3u s THR 37 Ca 0.00 -0.51 -0.03 0.00 -1.18 0.00 0.00 61.69 59.97 2k3u s THR 37 Cb 0.00 -0.75 0.27 0.00 1.34 0.00 0.00 72.50 73.36 2k3u s THR 37 CO 0.00 0.22 1.91 0.25 -0.54 0.00 0.00 174.62 176.46 2k3u h LEU 38 N 5.79 1.05 -0.31 4.79 6.46 -1.43 -3.05 115.31 128.61 2k3u h LEU 38 Ca -0.33 -0.01 0.01 0.00 -0.12 0.00 0.00 57.88 57.44 2k3u h LEU 38 Cb 1.17 -0.23 -0.02 0.00 -0.73 0.00 0.00 40.66 40.85 2k3u h LEU 38 CO 0.49 0.70 0.18 1.23 -0.62 0.00 0.00 178.44 180.42 2k3u h GLY 39 N 1.21 0.43 1.04 3.75 0.00 -1.49 0.13 103.07 108.13 2k3u h GLY 39 Ca 0.40 -0.14 -0.03 0.00 0.00 0.00 0.00 47.33 47.56 2k3u h GLY 39 CO -0.13 0.12 0.42 0.50 0.00 0.00 0.00 176.54 177.46 2k3u h LYS 40 N 0.37 1.23 -0.08 4.80 1.57 -1.75 -1.74 116.57 120.97 2k3u h LYS 40 Ca 0.12 -0.17 -0.01 0.00 -1.87 0.00 0.00 60.65 58.72 2k3u h LYS 40 Cb -0.00 -0.22 -0.00 0.00 0.08 0.00 0.00 32.23 32.08 2k3u h LYS 40 CO -0.05 0.93 0.02 1.25 -0.57 0.00 0.00 179.45 181.03 2k3u h LEU 41 N 1.22 0.13 -0.83 2.94 5.85 -1.39 -2.75 115.31 120.46 2k3u h LEU 41 Ca 0.30 -0.22 0.06 0.00 0.84 0.00 0.00 57.88 58.85 2k3u h LEU 41 Cb 0.10 -0.03 -0.06 0.00 0.37 0.00 0.00 40.66 41.04 2k3u h LEU 41 CO -0.04 0.32 0.51 -0.78 -0.34 0.00 0.00 178.44 178.11 2k3u h ASP 42 N -0.07 0.80 0.07 1.25 1.82 -0.49 0.20 116.42 119.99 2k3u h ASP 42 Ca 0.03 0.02 -0.08 0.00 -0.39 0.00 0.00 57.03 56.60 2k3u h ASP 42 Cb 0.24 -0.15 -0.01 0.00 0.68 0.00 0.00 39.33 40.09 2k3u h ASP 42 CO 0.00 0.51 -0.25 -0.08 -1.61 0.00 0.00 179.24 177.81 2k3u h GLU 43 N 0.93 0.30 0.04 0.28 4.81 -1.35 -0.81 114.58 118.79 2k3u h GLU 43 Ca 0.36 -0.10 -0.00 0.00 -0.13 0.00 0.00 59.36 59.49 2k3u h GLU 43 Cb 0.17 -0.02 0.00 0.00 0.63 0.00 0.00 28.75 29.53 2k3u h GLU 43 CO -0.17 0.54 -0.02 -0.09 -0.73 0.00 0.00 179.01 178.54 2k3u h ARG 44 N 0.27 -0.05 -0.80 1.92 2.43 -1.02 -3.17 114.38 113.97 2k3u h ARG 44 Ca 0.04 0.00 -0.01 0.00 -0.81 0.00 0.00 59.98 59.21 2k3u h ARG 44 Cb 0.60 0.01 -0.04 0.00 -0.42 0.00 0.00 29.97 30.12 2k3u h ARG 44 CO 0.04 0.41 0.47 -0.07 -1.51 0.00 0.00 179.97 179.31 2k3u h LEU 45 N -0.53 0.97 -1.20 3.80 3.38 -0.37 1.00 115.31 122.36 2k3u h LEU 45 Ca -0.01 -0.06 -0.02 0.00 0.09 0.00 0.00 57.88 57.88 2k3u h LEU 45 Cb 0.48 -0.24 -0.03 0.00 0.09 0.00 0.00 40.66 40.96 2k3u h LEU 45 CO 0.01 0.75 0.31 0.03 0.09 0.00 0.00 178.44 179.63 2k3u h ARG 46 N 1.10 0.86 -0.10 1.13 3.08 -1.29 -2.31 114.38 116.86 2k3u h ARG 46 Ca 0.29 -0.10 -0.14 0.00 0.07 0.00 0.00 59.98 60.10 2k3u h ARG 46 Cb -0.02 -0.17 -0.01 0.00 0.08 0.00 0.00 29.97 29.85 2k3u h ARG 46 CO -0.05 0.66 -0.54 -0.91 -1.07 0.00 0.00 179.97 178.06 2k3u h ASN 47 N 0.87 0.33 -1.00 7.04 2.35 -1.07 -3.27 115.58 120.82 2k3u h ASN 47 Ca 0.22 -0.17 0.09 0.00 -0.55 0.00 0.00 56.30 55.88 2k3u h ASN 47 Cb 0.07 -0.09 -0.07 0.00 0.05 0.00 0.00 38.32 38.27 2k3u h ASN 47 CO -0.03 0.80 0.64 1.88 -1.65 0.00 0.00 177.43 179.07 2k3u h TYR 48 N 0.23 1.18 -0.71 1.19 -1.99 -0.29 -1.19 116.97 115.40 2k3u h TYR 48 Ca 0.00 0.03 -0.02 0.00 2.00 0.00 0.00 58.73 60.75 2k3u h TYR 48 Cb 1.02 -0.38 -0.03 0.00 2.00 0.00 0.00 36.73 39.34 2k3u h TYR 48 CO 0.02 0.55 0.37 -0.07 -0.00 0.00 0.00 178.16 179.04 2k3u h LEU 49 N 1.10 0.89 -0.47 3.88 3.38 -1.60 -0.24 115.31 122.26 2k3u h LEU 49 Ca 0.46 -0.11 -0.11 0.00 0.09 0.00 0.00 57.88 58.21 2k3u h LEU 49 Cb 0.30 -0.23 -0.01 0.00 0.09 0.00 0.00 40.66 40.80 2k3u h LEU 49 CO -0.21 0.74 -0.14 0.11 0.09 0.00 0.00 178.44 179.03 2k3u h LYS 50 N 0.98 0.92 0.00 1.13 1.57 -1.49 0.08 116.57 119.75 2k3u h LYS 50 Ca 0.25 -0.37 0.00 0.00 -1.87 0.00 0.00 60.65 58.66 2k3u h LYS 50 Cb 0.06 -0.05 0.00 0.00 0.08 0.00 0.00 32.23 32.32 2k3u h LYS 50 CO -0.04 1.02 0.00 0.87 -0.57 0.00 0.00 179.45 180.73 2k3u h LYS 51 N 0.76 0.00 0.00 3.15 1.57 -1.04 -3.39 116.57 117.62 2k3u h LYS 51 Ca 0.11 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.89 2k3u h LYS 51 Cb 0.70 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.01 2k3u h LYS 51 CO 0.05 0.00 -0.70 0.41 -0.57 0.00 0.00 179.45 178.64 2k3u n GLY 52 N -0.06 0.00 4.00 3.86 0.00 -0.12 -5.06 105.19 107.81 2k3u n GLY 52 Ca 0.02 0.00 -0.18 0.00 0.00 0.00 0.00 46.02 45.86 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 -1.70 3.51 0.21 2.61 -4.23 0.00 -5.04 115.64 111.00 2k3u s THR 53 Ca 0.00 -0.99 0.07 0.00 -1.18 0.00 0.00 61.69 59.58 2k3u s THR 53 Cb 0.00 -3.20 -0.10 0.00 1.34 0.00 0.00 72.50 70.55 2k3u s THR 53 CO 0.00 -0.08 1.47 0.11 -0.54 0.00 0.00 174.62 175.59 2k3u h LYS 54 N 0.75 0.09 -2.04 3.99 1.57 -1.93 -3.44 116.57 115.56 2k3u h LYS 54 Ca -0.43 -0.09 -0.05 0.00 -1.87 0.00 0.00 60.65 58.21 2k3u h LYS 54 Cb 1.27 0.02 -0.26 0.00 0.08 0.00 0.00 32.23 33.34 2k3u h LYS 54 CO 0.49 0.81 -0.34 1.21 -0.57 0.00 0.00 179.45 181.04 2k3u s ASN 55 N -6.85 -0.44 0.38 0.86 2.47 -1.26 -5.06 114.94 105.03 2k3u s ASN 55 Ca -0.02 0.87 0.27 0.00 0.42 0.00 0.00 52.86 54.41 2k3u s ASN 55 Cb 0.11 1.57 0.91 0.00 -1.45 0.00 0.00 41.25 42.39 2k3u s ASN 55 CO 0.80 -0.25 1.78 0.77 -3.72 0.00 0.00 177.10 176.48 2k3u h SER 56 N 8.12 0.00 1.28 -4.21 4.64 -1.85 -3.37 113.55 118.16 2k3u h SER 56 Ca -0.18 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.14 2k3u h SER 56 Cb 1.13 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.22 2k3u h SER 56 CO 0.18 0.00 0.00 0.00 -0.87 0.00 0.00 176.83 176.14 2k3u n ALA 57 N -1.95 2.27 0.39 5.18 0.00 -1.26 -3.18 120.51 121.96 2k3u n ALA 57 Ca 0.03 -0.05 0.14 0.00 0.00 0.00 0.00 53.44 53.56 2k3u n ALA 57 Cb 0.37 -1.46 0.44 0.00 0.00 0.00 0.00 19.45 18.79 2k3u n ALA 57 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 177.50 176.94 2k3u h GLN 58 N 0.00 0.00 -7.12 0.00 3.07 -1.99 -3.46 115.11 105.60 2k3u h GLN 58 Ca 0.00 0.00 -0.46 0.00 0.09 0.00 0.00 58.65 58.28 2k3u h GLN 58 Cb 0.64 0.00 0.00 0.00 0.08 0.00 0.00 27.48 28.20 2k3u h GLN 58 CO 0.00 0.00 0.36 -0.06 0.09 0.00 0.00 178.83 179.22 2k3u s PHE 59 N -3.32 3.34 0.00 0.06 0.08 -1.19 -1.35 117.98 115.60 2k3u s PHE 59 Ca 0.06 1.55 0.00 0.00 0.12 0.00 0.00 56.93 58.65 2k3u s PHE 59 Cb 0.09 -2.84 0.00 0.00 -0.57 0.00 0.00 43.02 39.70 2k3u s PHE 59 CO 0.55 -0.30 0.00 -1.91 -0.10 0.00 0.00 175.22 173.46 2k3u n GLU 60 N -1.10 0.14 -4.13 0.44 2.13 -0.10 -4.69 120.64 113.33 2k3u n GLU 60 Ca 0.07 0.00 -0.12 0.00 0.66 0.00 0.00 57.16 57.77 2k3u n GLU 60 Cb 0.54 -0.64 -0.07 0.00 0.27 0.00 0.00 31.44 31.53 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 -1.28 1.48 0.04 5.31 -2.85 -1.19 -0.52 119.74 120.74 2k3u s LYS 61 Ca 0.00 -1.59 -0.05 0.00 -1.00 0.00 0.00 55.97 53.33 2k3u s LYS 61 Cb 0.00 0.36 -0.01 0.00 -2.06 0.00 0.00 37.83 36.12 2k3u s LYS 61 CO 0.00 -0.56 0.09 0.00 0.10 0.00 0.00 175.35 174.98 2k3u s MET 62 N -3.85 0.61 -0.01 1.78 0.23 -0.28 -1.75 119.30 116.03 2k3u s MET 62 Ca 0.33 -0.82 -0.00 0.00 -1.03 0.00 0.00 55.69 54.17 2k3u s MET 62 Cb 0.03 0.24 0.01 0.00 -1.53 0.00 0.00 34.83 33.58 2k3u s MET 62 CO 0.14 -0.15 0.01 0.54 -2.03 0.00 0.00 175.02 173.53 2k3u s VAL 63 N -2.86 -0.02 -0.16 5.16 0.11 0.16 -0.71 120.40 122.09 2k3u s VAL 63 Ca -0.03 0.07 0.02 0.00 -2.93 0.00 0.00 61.98 59.11 2k3u s VAL 63 Cb 0.00 -0.04 0.01 0.00 -1.53 0.00 0.00 36.38 34.83 2k3u s VAL 63 CO -0.06 0.03 -0.20 -0.63 -3.33 0.00 0.00 175.10 170.91 2k3u s ILE 64 N 0.34 2.16 -0.26 7.04 1.01 0.36 -0.53 121.20 131.31 2k3u s ILE 64 Ca -0.03 -0.93 -0.03 0.00 0.00 0.00 0.00 60.65 59.66 2k3u s ILE 64 Cb -0.04 -1.89 0.02 0.00 0.01 0.00 0.00 42.46 40.57 2k3u s ILE 64 CO -0.01 0.54 -0.02 -0.76 0.00 0.00 0.00 174.94 174.69 2k3u s LEU 65 N 1.00 3.40 0.39 2.97 1.43 -0.11 -2.03 118.68 125.74 2k3u s LEU 65 Ca -0.02 -0.85 0.08 0.00 -1.03 0.00 0.00 54.13 52.30 2k3u s LEU 65 Cb -0.15 -1.72 -0.00 0.00 0.03 0.00 0.00 46.19 44.35 2k3u s LEU 65 CO -0.06 -0.15 0.49 0.42 0.23 0.00 0.00 176.35 177.28 2k3u s THR 66 N 1.37 3.22 1.05 5.49 -4.23 -0.92 -2.34 115.64 119.28 2k3u s THR 66 Ca 0.00 -1.09 -0.14 0.00 -1.18 0.00 0.00 61.69 59.28 2k3u s THR 66 Cb -0.17 -3.11 0.15 0.00 1.34 0.00 0.00 72.50 70.72 2k3u s THR 66 CO -0.02 -0.05 0.65 -0.62 -0.54 0.00 0.00 174.62 174.04 2k3u n GLU 67 N -1.71 -1.31 -2.66 3.99 1.02 -0.91 -3.64 120.64 115.43 2k3u n GLU 67 Ca 0.05 -0.34 -0.19 0.00 -0.02 0.00 0.00 57.16 56.65 2k3u n GLU 67 Cb 0.59 -2.03 0.01 0.00 -0.02 0.00 0.00 31.44 30.00 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 -3.15 -5.52 -1.81 1.62 3.02 -0.75 -3.17 115.26 105.50 2k3u n ASN 68 Ca 0.05 -0.14 -0.14 0.00 -0.03 0.00 0.00 54.58 54.32 2k3u n ASN 68 Cb 0.55 -4.46 -0.04 0.00 -0.61 0.00 0.00 39.78 35.23 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 -3.25 -1.62 -1.78 3.52 4.76 -0.04 -4.88 118.16 114.87 2k3u n LYS 69 Ca -0.16 0.79 -0.41 0.00 -2.87 0.00 0.00 58.31 55.66 2k3u n LYS 69 Cb 0.64 -5.19 -0.00 0.00 -1.84 0.00 0.00 35.03 28.63 2k3u n LYS 69 CO 0.00 0.00 0.00 0.20 -1.37 0.00 0.00 177.40 176.23 2k3u s GLY 70 N -2.15 2.71 -0.11 0.72 0.00 -1.22 -4.92 107.32 102.36 2k3u s GLY 70 Ca 0.00 1.59 -0.04 0.00 0.00 0.00 0.00 44.72 46.27 2k3u s GLY 70 CO 0.00 2.36 0.21 -0.47 0.00 0.00 0.00 173.10 175.21 2k3u s TYR 71 N -0.82 -0.31 0.01 1.90 6.14 -1.26 -2.16 117.35 120.85 2k3u s TYR 71 Ca 0.56 0.80 0.00 0.00 0.64 0.00 0.00 57.07 59.07 2k3u s TYR 71 Cb -0.47 -0.13 -0.01 0.00 0.42 0.00 0.00 41.96 41.77 2k3u s TYR 71 CO 0.60 -0.31 -0.02 0.71 0.64 0.00 0.00 175.55 177.17 2k3u s TYR 72 N 2.28 0.15 -0.01 4.97 1.51 -0.86 -4.99 117.35 120.40 2k3u s TYR 72 Ca 0.01 -0.14 0.02 0.00 -1.01 0.00 0.00 57.07 55.95 2k3u s TYR 72 Cb -0.12 -0.10 0.00 0.00 -0.11 0.00 0.00 41.96 41.63 2k3u s TYR 72 CO -0.07 -0.04 -0.06 -0.08 -1.11 0.00 0.00 175.55 174.19 2k3u s THR 73 N -0.36 0.51 -0.08 -0.71 -1.32 -1.26 -0.49 115.64 111.94 2k3u s THR 73 Ca -0.03 -0.25 -0.03 0.00 -1.21 0.00 0.00 61.69 60.17 2k3u s THR 73 Cb -0.03 -0.45 0.04 0.00 -1.51 0.00 0.00 72.50 70.56 2k3u s THR 73 CO -0.00 0.16 0.15 -0.69 -2.21 0.00 0.00 174.62 172.02 2k3u s VAL 74 N 0.04 -0.22 0.06 5.08 1.01 0.12 -5.00 120.40 121.49 2k3u s VAL 74 Ca -0.00 0.34 -0.31 0.00 0.00 0.00 0.00 61.98 62.02 2k3u s VAL 74 Cb -0.05 -0.27 -0.07 0.00 0.00 0.00 0.00 36.38 35.99 2k3u s VAL 74 CO -0.00 0.14 1.44 -0.31 0.00 0.00 0.00 175.10 176.37 2k3u s TYR 75 N 2.15 2.95 -0.18 5.22 1.51 -1.26 -1.13 117.35 126.61 2k3u s TYR 75 Ca 0.02 0.79 0.19 0.00 -1.01 0.00 0.00 57.07 57.06 2k3u s TYR 75 Cb -0.12 -3.73 0.30 0.00 -0.11 0.00 0.00 41.96 38.30 2k3u s TYR 75 CO -0.05 -2.67 1.56 -0.07 -1.11 0.00 0.00 175.55 173.20 2k3u h LEU 76 N 7.70 0.00 -2.37 -1.29 3.38 -1.14 -3.31 115.31 118.28 2k3u h LEU 76 Ca -0.40 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.57 2k3u h LEU 76 Cb 1.20 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.95 2k3u h LEU 76 CO 0.89 0.32 0.19 0.78 0.09 0.00 0.00 178.44 180.72 2k3u h ASN 77 N 0.00 0.00 -4.89 -0.43 2.35 -1.87 -3.43 115.58 107.31 2k3u h ASN 77 Ca -0.00 0.00 -0.19 0.00 -0.55 0.00 0.00 56.30 55.56 2k3u h ASN 77 Cb 1.17 0.00 -0.16 0.00 0.05 0.00 0.00 38.32 39.38 2k3u h ASN 77 CO 0.04 0.00 -0.70 0.42 -1.65 0.00 0.00 177.43 175.55 2k3u s THR 78 N -4.09 0.44 0.46 2.81 -4.23 -1.25 -5.15 115.64 104.63 2k3u s THR 78 Ca -0.04 -1.67 -0.24 0.00 -1.18 0.00 0.00 61.69 58.57 2k3u s THR 78 Cb 0.10 -1.33 -0.07 0.00 1.34 0.00 0.00 72.50 72.54 2k3u s THR 78 CO 0.32 -0.81 1.24 -2.84 -0.54 0.00 0.00 174.62 171.99 2k3u s PRO 79 N -3.31 3.71 0.20 3.99 0.02 -1.26 -4.91 135.00 133.44 2k3u s PRO 79 Ca 0.04 1.98 -0.33 0.00 0.02 0.00 0.00 61.00 62.71 2k3u s PRO 79 Cb 0.03 -2.49 -0.14 0.00 0.02 0.00 0.00 34.50 31.92 2k3u s PRO 79 CO -0.06 -0.65 1.50 -0.11 -0.33 0.00 0.00 177.00 177.35 2k3u n LEU 80 N -0.39 3.11 -4.77 -5.54 7.94 -1.26 -4.96 117.00 111.14 2k3u n LEU 80 Ca 0.07 1.11 -0.40 0.00 -1.11 0.00 0.00 56.01 55.68 2k3u n LEU 80 Cb 0.46 -1.43 0.01 0.00 0.53 0.00 0.00 43.42 43.00 2k3u n LEU 80 CO 0.51 -0.38 1.04 0.00 -1.11 0.00 0.00 177.39 177.45 2k3u s ALA 81 N 0.43 3.21 0.50 1.96 0.00 -1.26 -4.76 121.76 121.85 2k3u s ALA 81 Ca 0.74 1.40 0.25 0.00 0.00 0.00 0.00 51.96 54.35 2k3u s ALA 81 Cb -0.66 -3.56 1.51 0.00 0.00 0.00 0.00 23.12 20.40 2k3u s ALA 81 CO 0.44 -1.12 2.14 1.05 0.00 0.00 0.00 175.76 178.26 2k3u h GLU 82 N 2.34 0.00 -0.13 0.00 4.11 -1.99 -0.43 114.58 118.46 2k3u h GLU 82 Ca -0.51 0.00 -0.22 0.00 0.07 0.00 0.00 59.36 58.71 2k3u h GLU 82 Cb 1.26 0.00 0.01 0.00 0.50 0.00 0.00 28.75 30.52 2k3u h GLU 82 CO 0.61 0.07 -0.78 0.38 0.07 0.00 0.00 179.01 179.36 2k3u h ASP 83 N 0.00 0.86 0.49 3.06 2.03 -1.97 -3.26 116.42 117.63 2k3u h ASP 83 Ca -0.00 -0.57 -0.10 0.00 -0.73 0.00 0.00 57.03 55.63 2k3u h ASP 83 Cb 0.17 -0.25 -0.01 0.00 -0.83 0.00 0.00 39.33 38.40 2k3u h ASP 83 CO 0.01 1.36 -0.46 0.03 -1.03 0.00 0.00 179.24 179.15 2k3u h ARG 84 N 0.49 0.00 -0.09 4.15 3.08 -1.52 -2.08 114.38 118.40 2k3u h ARG 84 Ca -0.05 0.00 0.03 0.00 0.07 0.00 0.00 59.98 60.03 2k3u h ARG 84 Cb 1.40 0.00 -0.00 0.00 0.08 0.00 0.00 29.97 31.45 2k3u h ARG 84 CO 0.16 0.46 0.19 0.87 -1.07 0.00 0.00 179.97 180.57 2k3u h LYS 85 N 0.00 0.00 0.00 0.04 1.57 -1.18 -3.17 116.57 113.83 2k3u h LYS 85 Ca -0.00 0.00 -0.01 0.00 -1.87 0.00 0.00 60.65 58.77 2k3u h LYS 85 Cb 0.82 0.00 -0.02 0.00 0.08 0.00 0.00 32.23 33.11 2k3u h LYS 85 CO 0.06 0.00 -0.22 0.09 -0.57 0.00 0.00 179.45 178.81 2k3u n ASN 86 N -3.40 1.79 -4.81 0.86 3.02 -0.79 -1.95 115.26 109.98 2k3u n ASN 86 Ca -0.00 -3.01 -0.37 0.00 -0.03 0.00 0.00 54.58 51.16 2k3u n ASN 86 Cb 0.28 -0.41 -0.06 0.00 -0.61 0.00 0.00 39.78 38.98 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 -2.35 5.29 0.49 2.41 0.11 -1.18 -4.96 120.40 120.21 2k3u s VAL 87 Ca 0.28 0.52 -0.22 0.00 -2.93 0.00 0.00 61.98 59.62 2k3u s VAL 87 Cb 0.26 -3.58 -0.07 0.00 -1.53 0.00 0.00 36.38 31.47 2k3u s VAL 87 CO -0.00 0.52 1.21 -0.70 -3.33 0.00 0.00 175.10 172.80 2k3u s GLU 88 N -0.46 3.55 0.23 1.54 2.12 -1.26 -1.39 118.70 123.03 2k3u s GLU 88 Ca 0.18 1.88 -0.17 0.00 0.36 0.00 0.00 54.97 57.21 2k3u s GLU 88 Cb -0.14 -2.33 -0.08 0.00 0.26 0.00 0.00 34.13 31.84 2k3u s GLU 88 CO 0.06 -0.75 0.68 -0.51 -0.54 0.00 0.00 175.26 174.21 2k3u s LEU 89 N -3.23 4.27 0.38 2.70 1.43 -0.10 -4.83 118.68 119.30 2k3u s LEU 89 Ca 0.67 1.30 0.21 0.00 -1.03 0.00 0.00 54.13 55.27 2k3u s LEU 89 Cb -0.31 -3.63 0.47 0.00 0.03 0.00 0.00 46.19 42.74 2k3u s LEU 89 CO 0.37 -0.01 1.63 -0.07 0.23 0.00 0.00 176.35 178.50 2k3u h LEU 90 N 3.16 0.00 0.00 1.79 3.38 -1.90 -3.48 115.31 118.25 2k3u h LEU 90 Ca -0.48 0.00 0.06 0.00 0.09 0.00 0.00 57.88 57.55 2k3u h LEU 90 Cb 1.19 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.93 2k3u h LEU 90 CO 0.66 0.28 0.34 0.61 0.09 0.00 0.00 178.44 180.41 2k3u n GLY 91 N 0.79 0.98 3.75 0.83 0.00 -1.19 -4.60 105.19 105.75 2k3u n GLY 91 Ca 0.02 -1.12 -0.38 0.00 0.00 0.00 0.00 46.02 44.53 2k3u n GLY 91 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2k3u s LYS 92 N -2.05 3.07 -0.56 1.61 3.01 -1.26 -4.53 119.74 119.03 2k3u s LYS 92 Ca 0.14 2.19 -0.09 0.00 -1.01 0.00 0.00 55.97 57.20 2k3u s LYS 92 Cb -0.03 -2.19 -0.09 0.00 -1.01 0.00 0.00 37.83 34.52 2k3u s LYS 92 CO 0.06 -1.23 1.72 -0.12 0.51 0.00 0.00 175.35 176.29 2k3u n MET 93 N -1.16 1.22 -0.14 1.68 0.00 -0.84 -2.13 117.12 115.76 2k3u n MET 93 Ca 0.11 -1.22 -0.05 0.00 -0.00 0.00 0.00 57.70 56.54 2k3u n MET 93 Cb 0.46 -2.42 0.04 0.00 0.00 0.00 0.00 33.22 31.30 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 7.40 0.29 -2.97 1.12 3.20 -1.14 -3.04 116.97 121.83 2k3u h TYR 94 Ca 0.32 0.02 0.05 0.00 3.14 0.00 0.00 58.73 62.26 2k3u h TYR 94 Cb 0.26 -0.07 -0.07 0.00 1.54 0.00 0.00 36.73 38.39 2k3u h TYR 94 CO 1.77 0.11 0.23 -1.59 -1.64 0.00 0.00 178.16 177.04 2k3u s LYS 95 N -6.14 1.60 0.04 1.82 -2.85 -0.99 -2.15 119.74 111.07 2k3u s LYS 95 Ca -0.13 -0.81 0.03 0.00 -1.00 0.00 0.00 55.97 54.06 2k3u s LYS 95 Cb 0.13 0.60 -0.02 0.00 -2.06 0.00 0.00 37.83 36.48 2k3u s LYS 95 CO 0.72 -0.73 -0.10 0.99 0.10 0.00 0.00 175.35 176.34 2k3u s THR 96 N -3.84 0.72 0.13 3.79 2.01 -0.06 -0.93 115.64 117.46 2k3u s THR 96 Ca 0.08 -1.00 0.09 0.00 0.31 0.00 0.00 61.69 61.17 2k3u s THR 96 Cb -0.04 -0.72 -0.04 0.00 0.01 0.00 0.00 72.50 71.71 2k3u s THR 96 CO 0.00 -0.23 -0.22 -0.31 -0.69 0.00 0.00 174.62 173.18 2k3u s TYR 97 N -1.11 1.94 0.02 4.92 1.51 0.31 -1.02 117.35 123.92 2k3u s TYR 97 Ca -0.05 -0.42 0.01 0.00 -1.01 0.00 0.00 57.07 55.60 2k3u s TYR 97 Cb -0.09 -1.03 -0.01 0.00 -0.11 0.00 0.00 41.96 40.72 2k3u s TYR 97 CO 0.01 0.29 -0.04 -0.06 -1.11 0.00 0.00 175.55 174.64 2k3u s PHE 98 N -1.38 0.32 -0.04 2.71 0.40 0.29 -0.67 117.98 119.62 2k3u s PHE 98 Ca 0.11 -0.36 0.02 0.00 -0.60 0.00 0.00 56.93 56.10 2k3u s PHE 98 Cb -0.09 -0.21 0.02 0.00 0.51 0.00 0.00 43.02 43.25 2k3u s PHE 98 CO 0.06 -0.10 -0.06 -0.06 0.70 0.00 0.00 175.22 175.75 2k3u s PHE 99 N -0.97 0.81 0.88 0.36 0.40 -0.71 -1.89 117.98 116.87 2k3u s PHE 99 Ca -0.09 -0.22 -0.12 0.00 -0.60 0.00 0.00 56.93 55.90 2k3u s PHE 99 Cb -0.07 -0.66 0.12 0.00 0.51 0.00 0.00 43.02 42.92 2k3u s PHE 99 CO -0.00 -0.16 1.10 0.15 0.70 0.00 0.00 175.22 177.01 2k3u s LYS 100 N 0.65 1.37 -0.85 0.44 3.01 -1.26 -0.92 119.74 122.18 2k3u s LYS 100 Ca -0.09 0.65 -0.25 0.00 -1.01 0.00 0.00 55.97 55.26 2k3u s LYS 100 Cb -0.12 -1.84 -0.20 0.00 -1.01 0.00 0.00 37.83 34.67 2k3u s LYS 100 CO 0.01 -2.12 2.51 1.63 0.51 0.00 0.00 175.35 177.88 2k3u n LYS 101 N -3.77 0.32 0.00 1.68 5.02 -0.45 -1.49 118.16 119.46 2k3u n LYS 101 Ca 0.07 -0.08 0.00 0.00 -2.02 0.00 0.00 58.31 56.27 2k3u n LYS 101 Cb 0.56 -2.12 0.00 0.00 -0.02 0.00 0.00 35.03 33.45 2k3u n LYS 101 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 2k3u n GLY 102 N 6.23 0.45 3.78 0.72 0.00 -1.26 -5.08 105.19 110.02 2k3u n GLY 102 Ca 0.57 0.00 -0.30 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 -0.84 1.98 0.00 1.61 2.02 -0.56 -5.02 118.70 117.89 2k3u s GLU 103 Ca 0.00 0.80 0.00 0.00 0.02 0.00 0.00 54.97 55.79 2k3u s GLU 103 Cb 0.00 -1.89 0.00 0.00 0.10 0.00 0.00 34.13 32.34 2k3u s GLU 103 CO 0.00 -1.73 0.47 -1.13 0.02 0.00 0.00 175.26 172.89 2k3u n SER 104 N -3.54 0.00 -3.79 -0.19 3.41 -1.26 -4.92 113.62 103.34 2k3u n SER 104 Ca 0.07 -1.12 -0.13 0.00 -0.26 0.00 0.00 58.87 57.43 2k3u n SER 104 Cb 0.55 -0.02 -0.14 0.00 -0.26 0.00 0.00 64.21 64.34 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 0.00 0.11 1.03 4.33 2.20 -1.26 -5.16 119.74 120.99 2k3u s LYS 105 Ca 0.00 0.27 -0.11 0.00 -0.36 0.00 0.00 55.97 55.77 2k3u s LYS 105 Cb 0.00 -0.07 0.21 0.00 -1.51 0.00 0.00 37.83 36.46 2k3u s LYS 105 CO 0.00 -0.10 1.05 -1.13 -0.36 0.00 0.00 175.35 174.81 2k3u n SER 106 N 3.65 -0.66 0.00 1.43 3.41 -1.26 -4.93 113.62 115.25 2k3u n SER 106 Ca -0.20 0.16 0.00 0.00 -0.26 0.00 0.00 58.87 58.57 2k3u n SER 106 Cb 0.55 -1.37 0.00 0.00 -0.26 0.00 0.00 64.21 63.13 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 -4.43 2.27 -4.08 4.04 2.88 -0.79 -5.02 113.62 108.49 2k3u n SER 107 Ca 0.08 -0.10 -0.19 0.00 -1.33 0.00 0.00 58.87 57.33 2k3u n SER 107 Cb 0.53 0.66 -0.14 0.00 -0.75 0.00 0.00 64.21 64.51 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 -1.12 0.99 0.01 0.66 5.04 -1.19 -5.04 117.35 116.71 2k3u s TYR 108 Ca 0.00 -0.28 -0.16 0.00 -2.44 0.00 0.00 57.07 54.19 2k3u s TYR 108 Cb 0.00 -0.61 0.03 0.00 0.35 0.00 0.00 41.96 41.73 2k3u s TYR 108 CO 0.00 -0.00 0.35 0.54 -1.34 0.00 0.00 175.55 175.10 2k3u s VAL 109 N -0.62 0.06 -0.05 3.14 0.11 -1.26 -0.55 120.40 121.23 2k3u s VAL 109 Ca 0.01 -0.50 -0.03 0.00 -2.93 0.00 0.00 61.98 58.53 2k3u s VAL 109 Cb -0.06 -0.80 0.02 0.00 -1.53 0.00 0.00 36.38 34.01 2k3u s VAL 109 CO 0.00 -0.28 0.12 -0.63 -3.33 0.00 0.00 175.10 170.98 2k3u s ILE 110 N -1.91 -0.02 0.26 7.04 1.01 -0.19 -4.98 121.20 122.41 2k3u s ILE 110 Ca -0.09 0.07 0.06 0.00 0.00 0.00 0.00 60.65 60.69 2k3u s ILE 110 Cb -0.03 -0.18 -0.03 0.00 0.01 0.00 0.00 42.46 42.23 2k3u s ILE 110 CO 0.01 0.03 0.29 0.20 0.00 0.00 0.00 174.94 175.47 2k3u s ASN 111 N 0.48 5.81 0.00 3.58 -0.87 -1.26 -0.88 114.94 121.79 2k3u s ASN 111 Ca -0.03 -0.16 0.00 0.00 -1.57 0.00 0.00 52.86 51.09 2k3u s ASN 111 Cb -0.05 -1.49 0.00 0.00 -0.02 0.00 0.00 41.25 39.69 2k3u s ASN 111 CO -0.02 -0.12 0.00 0.61 -2.57 0.00 0.00 177.10 175.00 2k3u n GLY 112 N -1.32 2.68 3.75 0.66 0.00 -0.92 -4.93 105.19 105.12 2k3u n GLY 112 Ca -0.07 -0.77 -0.41 0.00 0.00 0.00 0.00 46.02 44.77 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 0.66 4.16 0.00 1.61 0.04 -1.23 -4.61 135.00 135.63 2k3u s PRO 113 Ca 0.00 2.50 0.00 0.00 0.04 0.00 0.00 61.00 63.54 2k3u s PRO 113 Cb 0.00 -3.04 0.00 0.00 0.04 0.00 0.00 34.50 31.50 2k3u s PRO 113 CO 0.00 -0.57 0.00 0.41 0.04 0.00 0.00 177.00 176.88 2k3u n GLY 114 N 2.09 3.35 0.00 0.56 0.00 -1.26 -1.15 105.19 108.79 2k3u n GLY 114 Ca 0.07 -1.92 0.00 0.00 0.00 0.00 0.00 46.02 44.18 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 -1.19 0.22 -3.56 1.61 4.81 -1.26 -4.77 118.16 114.03 2k3u n LYS 115 Ca 0.00 -0.00 -0.13 0.00 -0.87 0.00 0.00 58.31 57.31 2k3u n LYS 115 Cb 0.00 -0.05 -0.05 0.00 0.02 0.00 0.00 35.03 34.94 2k3u n LYS 115 CO 0.00 0.00 0.00 -0.08 1.17 0.00 0.00 177.40 178.49 2k3u s THR 116 N -0.03 0.00 0.22 3.15 -1.32 -1.26 -5.03 115.64 111.37 2k3u s THR 116 Ca 0.00 0.00 0.16 0.00 -1.21 0.00 0.00 61.69 60.64 2k3u s THR 116 Cb 0.00 -1.00 0.08 0.00 -1.51 0.00 0.00 72.50 70.07 2k3u s THR 116 CO 0.00 0.00 1.71 0.78 -2.21 0.00 0.00 174.62 174.90 2k3u h ASN 117 N 2.72 0.00 -0.15 8.08 4.21 -1.94 -3.35 115.58 125.15 2k3u h ASN 117 Ca -0.21 0.00 -0.69 0.00 1.21 0.00 0.00 56.30 56.61 2k3u h ASN 117 Cb 1.16 0.00 -0.04 0.00 -1.12 0.00 0.00 38.32 38.32 2k3u h ASN 117 CO 0.33 0.45 2.87 -0.62 -1.29 0.00 0.00 177.43 179.17 2k3u n GLU 118 N -3.67 2.75 -4.08 0.81 1.02 -1.26 -0.86 120.64 115.36 2k3u n GLU 118 Ca -0.01 -2.63 -0.27 0.00 -0.02 0.00 0.00 57.16 54.23 2k3u n GLU 118 Cb 0.53 -3.30 -0.05 0.00 -0.02 0.00 0.00 31.44 28.61 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 6.76 -1.53 -4.25 -0.32 4.02 -1.26 -2.40 117.16 118.18 2k3u n TYR 119 Ca 0.51 0.71 -0.33 0.00 -0.01 0.00 0.00 57.90 58.78 2k3u n TYR 119 Cb 0.40 -3.42 -0.06 0.00 -0.02 0.00 0.00 39.34 36.24 2k3u n TYR 119 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 176.86 175.85 2k3u n ALA 120 N -4.45 -1.67 -1.16 -0.72 0.00 -1.26 -4.90 120.51 106.34 2k3u n ALA 120 Ca -0.30 -0.24 0.00 0.00 0.00 0.00 0.00 53.44 52.90 2k3u n ALA 120 Cb 0.68 -1.98 0.00 0.00 0.00 0.00 0.00 19.45 18.16 2k3u n ALA 120 CO 0.00 0.00 0.00 0.98 0.00 0.00 0.00 177.50 178.48