#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 0.53 2.88 -1.26 -5.13 113.62 110.64 2k3u n SER 32 Ca 0.00 -1.64 0.00 0.00 -1.33 0.00 0.00 58.87 55.90 2k3u n SER 32 Cb 0.00 -0.13 0.00 0.00 -0.75 0.00 0.00 64.21 63.33 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 2.24 3.10 0.46 0.00 -1.26 -5.13 105.19 104.60 2k3u n GLY 33 Ca 0.00 -1.84 -0.10 0.00 0.00 0.00 0.00 46.02 44.07 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 1.70 1.04 0.99 1.43 -1.26 -5.18 118.68 117.40 2k3u s LEU 34 Ca 0.00 -0.35 -0.17 0.00 -1.03 0.00 0.00 54.13 52.58 2k3u s LEU 34 Cb 0.00 0.61 0.22 0.00 0.03 0.00 0.00 46.19 47.05 2k3u s LEU 34 CO 0.00 -0.42 1.22 -2.16 0.23 0.00 0.00 176.35 175.22 2k3u s PRO 35 N -1.83 0.03 0.00 1.29 0.04 -1.26 -5.05 135.00 128.21 2k3u s PRO 35 Ca -0.11 -0.18 0.00 0.00 0.04 0.00 0.00 61.00 60.75 2k3u s PRO 35 Cb -0.06 -1.75 0.00 0.00 0.04 0.00 0.00 34.50 32.73 2k3u s PRO 35 CO -0.01 -2.86 0.00 0.25 0.04 0.00 0.00 177.00 174.42 2k3u n THR 36 N -4.13 0.00 -4.21 1.26 -2.24 -1.26 -5.06 114.28 98.64 2k3u n THR 36 Ca 0.13 0.00 -0.19 0.00 -2.27 0.00 0.00 64.05 61.72 2k3u n THR 36 Cb 0.59 0.92 -0.12 0.00 -2.10 0.00 0.00 70.33 69.63 2k3u n THR 36 CO 0.00 0.00 0.00 0.42 -0.57 0.00 0.00 175.07 174.92 2k3u s THR 37 N 0.00 1.27 0.50 4.28 -4.23 -1.26 -0.50 115.64 115.69 2k3u s THR 37 Ca 0.00 -1.50 0.15 0.00 -1.18 0.00 0.00 61.69 59.16 2k3u s THR 37 Cb 0.00 -1.31 0.28 0.00 1.34 0.00 0.00 72.50 72.81 2k3u s THR 37 CO 0.00 -0.28 2.11 0.25 -0.54 0.00 0.00 174.62 176.16 2k3u h LEU 38 N 3.96 0.10 -0.91 4.79 6.46 -1.20 -2.51 115.31 126.00 2k3u h LEU 38 Ca -0.41 -0.00 0.13 0.00 -0.12 0.00 0.00 57.88 57.48 2k3u h LEU 38 Cb 1.19 -0.03 -0.09 0.00 -0.73 0.00 0.00 40.66 41.01 2k3u h LEU 38 CO 0.44 0.07 0.52 1.23 -0.62 0.00 0.00 178.44 180.09 2k3u h GLY 39 N 0.12 1.49 1.38 3.75 0.00 -1.25 0.13 103.07 108.69 2k3u h GLY 39 Ca 0.06 -0.33 -0.26 0.00 0.00 0.00 0.00 47.33 46.80 2k3u h GLY 39 CO -0.01 0.06 -1.04 0.50 0.00 0.00 0.00 176.54 176.05 2k3u h LYS 40 N 0.79 0.55 -0.32 4.80 1.57 -1.73 -3.14 116.57 119.10 2k3u h LYS 40 Ca 0.47 -0.62 -0.11 0.00 -1.87 0.00 0.00 60.65 58.52 2k3u h LYS 40 Cb 0.57 0.18 -0.01 0.00 0.08 0.00 0.00 32.23 33.05 2k3u h LYS 40 CO -0.31 1.24 -0.22 1.25 -0.57 0.00 0.00 179.45 180.84 2k3u h LEU 41 N 0.29 0.75 -0.85 2.94 5.85 -1.26 -2.27 115.31 120.76 2k3u h LEU 41 Ca -0.12 -0.43 0.08 0.00 0.84 0.00 0.00 57.88 58.25 2k3u h LEU 41 Cb 1.69 -0.21 -0.07 0.00 0.37 0.00 0.00 40.66 42.45 2k3u h LEU 41 CO 0.19 1.02 0.51 -0.78 -0.34 0.00 0.00 178.44 179.04 2k3u h ASP 42 N 0.48 0.77 -0.79 1.25 3.58 -0.88 0.14 116.42 120.97 2k3u h ASP 42 Ca 0.06 0.03 -0.04 0.00 0.42 0.00 0.00 57.03 57.51 2k3u h ASP 42 Cb 0.77 -0.12 -0.03 0.00 1.72 0.00 0.00 39.33 41.66 2k3u h ASP 42 CO 0.06 0.47 0.33 -0.08 -2.88 0.00 0.00 179.24 177.13 2k3u h GLU 43 N 0.89 1.16 -0.41 0.28 4.81 -1.48 -0.34 114.58 119.50 2k3u h GLU 43 Ca 0.39 -0.20 -0.06 0.00 -0.13 0.00 0.00 59.36 59.35 2k3u h GLU 43 Cb 0.27 -0.19 -0.01 0.00 0.63 0.00 0.00 28.75 29.44 2k3u h GLU 43 CO -0.21 0.93 0.00 -0.09 -0.73 0.00 0.00 179.01 178.92 2k3u h ARG 44 N 1.13 0.71 -0.16 1.92 2.43 -0.74 -2.58 114.38 117.09 2k3u h ARG 44 Ca 0.26 -0.23 -0.12 0.00 -0.81 0.00 0.00 59.98 59.09 2k3u h ARG 44 Cb 0.19 -0.07 -0.01 0.00 -0.42 0.00 0.00 29.97 29.66 2k3u h ARG 44 CO -0.02 0.80 -0.43 -0.07 -1.51 0.00 0.00 179.97 178.74 2k3u h LEU 45 N 0.55 0.39 -0.89 3.80 3.38 -0.47 0.13 115.31 122.20 2k3u h LEU 45 Ca 0.12 -0.17 -0.10 0.00 0.09 0.00 0.00 57.88 57.82 2k3u h LEU 45 Cb 0.47 -0.11 -0.01 0.00 0.09 0.00 0.00 40.66 41.10 2k3u h LEU 45 CO 0.02 0.77 -0.23 0.03 0.09 0.00 0.00 178.44 179.12 2k3u h ARG 46 N 0.30 0.56 -0.21 1.13 3.08 -1.11 -0.45 114.38 117.67 2k3u h ARG 46 Ca 0.02 -0.21 -0.02 0.00 0.07 0.00 0.00 59.98 59.85 2k3u h ARG 46 Cb 0.88 -0.03 -0.01 0.00 0.08 0.00 0.00 29.97 30.89 2k3u h ARG 46 CO 0.07 0.75 0.06 -0.91 -1.07 0.00 0.00 179.97 178.87 2k3u h ASN 47 N 0.49 0.32 -0.65 7.04 2.35 -1.02 -2.80 115.58 121.31 2k3u h ASN 47 Ca 0.07 -0.21 0.07 0.00 -0.55 0.00 0.00 56.30 55.68 2k3u h ASN 47 Cb 0.67 -0.08 -0.04 0.00 0.05 0.00 0.00 38.32 38.92 2k3u h ASN 47 CO 0.05 0.45 0.43 1.88 -1.65 0.00 0.00 177.43 178.58 2k3u h TYR 48 N 0.17 0.63 -0.02 1.19 0.05 -0.52 -1.07 116.97 117.40 2k3u h TYR 48 Ca 0.07 0.02 -0.00 0.00 0.05 0.00 0.00 58.73 58.86 2k3u h TYR 48 Cb 0.25 -0.21 -0.00 0.00 1.01 0.00 0.00 36.73 37.78 2k3u h TYR 48 CO 0.00 0.33 0.00 -0.07 -1.05 0.00 0.00 178.16 177.37 2k3u h LEU 49 N 0.61 0.03 -0.47 3.88 3.38 -0.95 0.72 115.31 122.51 2k3u h LEU 49 Ca 0.28 -0.25 -0.12 0.00 0.09 0.00 0.00 57.88 57.89 2k3u h LEU 49 Cb 0.33 -0.01 -0.01 0.00 0.09 0.00 0.00 40.66 41.06 2k3u h LEU 49 CO -0.09 0.27 -0.16 0.11 0.09 0.00 0.00 178.44 178.66 2k3u h LYS 50 N -0.21 0.94 -0.58 1.13 1.57 -1.21 -1.34 116.57 116.86 2k3u h LYS 50 Ca 0.01 -0.38 -0.07 0.00 -1.87 0.00 0.00 60.65 58.34 2k3u h LYS 50 Cb 0.25 -0.04 -0.02 0.00 0.08 0.00 0.00 32.23 32.49 2k3u h LYS 50 CO 0.00 1.04 0.10 0.87 -0.57 0.00 0.00 179.45 180.89 2k3u h LYS 51 N 0.78 0.97 0.00 3.15 1.57 -1.28 -3.38 116.57 118.38 2k3u h LYS 51 Ca 0.11 -0.26 0.00 0.00 -1.87 0.00 0.00 60.65 58.63 2k3u h LYS 51 Cb 0.72 -0.11 0.00 0.00 0.08 0.00 0.00 32.23 32.92 2k3u h LYS 51 CO 0.06 0.92 -1.20 0.41 -0.57 0.00 0.00 179.45 179.06 2k3u n GLY 52 N -0.55 -0.96 3.46 3.86 0.00 0.25 -4.94 105.19 106.30 2k3u n GLY 52 Ca 0.03 -0.57 -0.27 0.00 0.00 0.00 0.00 46.02 45.21 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 -3.08 2.54 0.28 2.61 -4.23 -0.52 -5.02 115.64 108.22 2k3u s THR 53 Ca 0.04 -1.96 0.10 0.00 -1.18 0.00 0.00 61.69 58.69 2k3u s THR 53 Cb 0.15 -2.23 -0.01 0.00 1.34 0.00 0.00 72.50 71.75 2k3u s THR 53 CO 0.86 -0.12 1.64 0.11 -0.54 0.00 0.00 174.62 176.56 2k3u h LYS 54 N 3.11 0.05 -2.20 3.99 1.57 -1.90 -3.42 116.57 117.77 2k3u h LYS 54 Ca -0.46 -0.03 -0.21 0.00 -1.87 0.00 0.00 60.65 58.08 2k3u h LYS 54 Cb 1.21 0.00 -0.32 0.00 0.08 0.00 0.00 32.23 33.20 2k3u h LYS 54 CO 0.50 0.61 -0.53 1.21 -0.57 0.00 0.00 179.45 180.67 2k3u s ASN 55 N -6.87 0.60 0.40 0.86 2.47 -1.26 -5.05 114.94 106.09 2k3u s ASN 55 Ca -0.02 0.14 0.28 0.00 0.42 0.00 0.00 52.86 53.69 2k3u s ASN 55 Cb 0.13 0.86 1.11 0.00 -1.45 0.00 0.00 41.25 41.89 2k3u s ASN 55 CO 0.76 -0.30 1.83 0.77 -3.72 0.00 0.00 177.10 176.45 2k3u h SER 56 N 8.23 0.00 0.54 -4.21 4.64 -1.81 -3.36 113.55 117.58 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 1.15 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.24 2k3u h SER 56 CO 0.26 0.00 0.00 0.00 -0.87 0.00 0.00 176.83 176.22 2k3u n ALA 57 N -1.94 2.05 0.40 5.18 0.00 -1.26 -3.27 120.51 121.68 2k3u n ALA 57 Ca 0.02 -0.09 0.12 0.00 0.00 0.00 0.00 53.44 53.49 2k3u n ALA 57 Cb 0.29 -1.35 0.21 0.00 0.00 0.00 0.00 19.45 18.60 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 -7.19 0.00 3.07 -1.98 -3.48 115.11 105.53 2k3u h GLN 58 Ca 0.00 0.00 -0.47 0.00 0.09 0.00 0.00 58.65 58.27 2k3u h GLN 58 Cb 0.27 0.00 0.02 0.00 0.08 0.00 0.00 27.48 27.85 2k3u h GLN 58 CO 0.00 0.00 0.37 -0.06 0.09 0.00 0.00 178.83 179.23 2k3u s PHE 59 N -3.20 3.46 0.00 0.06 0.08 -1.20 -0.81 117.98 116.37 2k3u s PHE 59 Ca 0.06 1.45 0.00 0.00 0.12 0.00 0.00 56.93 58.56 2k3u s PHE 59 Cb 0.10 -2.78 0.00 0.00 -0.57 0.00 0.00 43.02 39.77 2k3u s PHE 59 CO 0.68 -0.38 0.00 -0.85 -0.10 0.00 0.00 175.22 174.58 2k3u n GLU 60 N -1.63 3.09 -3.89 0.44 0.28 -0.38 -4.52 120.64 114.03 2k3u n GLU 60 Ca 0.06 0.00 -0.08 0.00 -0.16 0.00 0.00 57.16 56.99 2k3u n GLU 60 Cb 0.54 -0.93 -0.02 0.00 1.43 0.00 0.00 31.44 32.45 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 -1.85 1.79 0.07 3.44 -2.85 -1.25 -0.12 119.74 118.97 2k3u s LYS 61 Ca 0.00 -1.12 -0.08 0.00 -1.00 0.00 0.00 55.97 53.77 2k3u s LYS 61 Cb 0.00 0.58 -0.01 0.00 -2.06 0.00 0.00 37.83 36.34 2k3u s LYS 61 CO 0.00 -0.81 0.15 0.00 0.10 0.00 0.00 175.35 174.80 2k3u s MET 62 N -3.73 0.76 -0.04 1.78 0.23 0.08 -2.52 119.30 115.86 2k3u s MET 62 Ca 0.15 -0.90 -0.04 0.00 -1.03 0.00 0.00 55.69 53.87 2k3u s MET 62 Cb -0.05 0.30 0.01 0.00 -1.53 0.00 0.00 34.83 33.57 2k3u s MET 62 CO 0.08 -0.22 0.11 0.54 -2.03 0.00 0.00 175.02 173.50 2k3u s VAL 63 N -3.47 -0.01 -0.08 5.16 0.11 -0.24 -0.99 120.40 120.88 2k3u s VAL 63 Ca 0.02 0.02 0.02 0.00 -2.93 0.00 0.00 61.98 59.12 2k3u s VAL 63 Cb 0.03 -0.16 0.01 0.00 -1.53 0.00 0.00 36.38 34.73 2k3u s VAL 63 CO -0.09 0.01 -0.15 -0.63 -3.33 0.00 0.00 175.10 170.91 2k3u s ILE 64 N 0.20 1.42 -0.20 7.04 1.01 0.20 -0.75 121.20 130.12 2k3u s ILE 64 Ca -0.01 -0.63 0.00 0.00 0.00 0.00 0.00 60.65 60.01 2k3u s ILE 64 Cb -0.02 -1.28 0.02 0.00 0.01 0.00 0.00 42.46 41.19 2k3u s ILE 64 CO -0.01 0.42 -0.15 -0.76 0.00 0.00 0.00 174.94 174.44 2k3u s LEU 65 N 0.68 2.52 0.52 2.97 1.43 -0.14 -1.73 118.68 124.92 2k3u s LEU 65 Ca -0.14 -0.73 0.07 0.00 -1.03 0.00 0.00 54.13 52.30 2k3u s LEU 65 Cb -0.16 -1.55 0.03 0.00 0.03 0.00 0.00 46.19 44.54 2k3u s LEU 65 CO 0.04 -0.04 0.45 0.42 0.23 0.00 0.00 176.35 177.44 2k3u s THR 66 N 1.30 1.95 1.15 5.49 -4.23 -0.96 -2.06 115.64 118.27 2k3u s THR 66 Ca 0.03 -1.40 -0.18 0.00 -1.18 0.00 0.00 61.69 58.96 2k3u s THR 66 Cb -0.14 -2.35 0.17 0.00 1.34 0.00 0.00 72.50 71.52 2k3u s THR 66 CO -0.10 0.00 0.26 -0.62 -0.54 0.00 0.00 174.62 173.62 2k3u n GLU 67 N -1.77 -2.20 -2.71 3.99 1.02 -1.04 -3.65 120.64 114.28 2k3u n GLU 67 Ca 0.02 -0.63 -0.17 0.00 -0.02 0.00 0.00 57.16 56.36 2k3u n GLU 67 Cb 0.63 -1.72 -0.00 0.00 -0.02 0.00 0.00 31.44 30.33 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 -2.38 -4.36 -1.84 1.62 3.02 -1.01 -2.78 115.26 107.53 2k3u n ASN 68 Ca 0.03 -0.01 -0.20 0.00 -0.03 0.00 0.00 54.58 54.37 2k3u n ASN 68 Cb 0.56 -3.64 -0.05 0.00 -0.61 0.00 0.00 39.78 36.04 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 -3.18 -1.46 -2.07 3.52 5.02 0.46 -4.93 118.16 115.52 2k3u n LYS 69 Ca -0.13 1.09 -0.39 0.00 -2.02 0.00 0.00 58.31 56.86 2k3u n LYS 69 Cb 0.61 -5.53 -0.00 0.00 -0.02 0.00 0.00 35.03 30.08 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 -2.49 2.91 -0.07 0.72 0.00 -1.12 -4.93 107.32 102.34 2k3u s GLY 70 Ca 0.00 1.20 -0.03 0.00 0.00 0.00 0.00 44.72 45.89 2k3u s GLY 70 CO 0.00 1.77 0.16 -0.47 0.00 0.00 0.00 173.10 174.55 2k3u s TYR 71 N -1.29 -0.18 -0.04 1.90 6.14 -1.26 -2.26 117.35 120.36 2k3u s TYR 71 Ca 0.58 0.53 -0.07 0.00 0.64 0.00 0.00 57.07 58.75 2k3u s TYR 71 Cb -0.37 -0.09 0.01 0.00 0.42 0.00 0.00 41.96 41.93 2k3u s TYR 71 CO 0.47 -0.19 0.17 0.71 0.64 0.00 0.00 175.55 177.35 2k3u s TYR 72 N 1.32 -0.12 -0.01 4.97 2.02 -0.71 -4.99 117.35 119.83 2k3u s TYR 72 Ca -0.08 0.27 0.04 0.00 -0.37 0.00 0.00 57.07 56.94 2k3u s TYR 72 Cb -0.12 0.03 -0.01 0.00 -0.40 0.00 0.00 41.96 41.46 2k3u s TYR 72 CO -0.06 -0.16 -0.14 -0.08 -1.57 0.00 0.00 175.55 173.53 2k3u s THR 73 N -0.43 1.14 -0.06 -0.71 -1.32 -1.26 -0.63 115.64 112.36 2k3u s THR 73 Ca -0.05 -0.62 -0.03 0.00 -1.21 0.00 0.00 61.69 59.78 2k3u s THR 73 Cb -0.03 -0.95 0.04 0.00 -1.51 0.00 0.00 72.50 70.05 2k3u s THR 73 CO 0.01 0.32 0.14 -0.69 -2.21 0.00 0.00 174.62 172.18 2k3u s VAL 74 N -0.35 -0.09 0.31 5.08 1.01 -0.16 -5.01 120.40 121.19 2k3u s VAL 74 Ca 0.05 0.23 -0.27 0.00 0.00 0.00 0.00 61.98 61.99 2k3u s VAL 74 Cb -0.06 -0.23 -0.09 0.00 0.00 0.00 0.00 36.38 36.00 2k3u s VAL 74 CO -0.01 0.09 1.00 -0.31 0.00 0.00 0.00 175.10 175.88 2k3u s TYR 75 N 1.41 3.64 -0.52 5.22 1.51 -1.26 -0.74 117.35 126.61 2k3u s TYR 75 Ca -0.06 1.77 0.13 0.00 -1.01 0.00 0.00 57.07 57.89 2k3u s TYR 75 Cb -0.12 -3.06 -0.15 0.00 -0.11 0.00 0.00 41.96 38.52 2k3u s TYR 75 CO -0.06 -0.08 0.52 1.28 -1.11 0.00 0.00 175.55 176.10 2k3u n LEU 76 N 0.77 0.52 0.00 -1.29 4.77 0.82 -4.23 117.00 118.36 2k3u n LEU 76 Ca 0.01 -0.42 0.05 0.00 -0.03 0.00 0.00 56.01 55.62 2k3u n LEU 76 Cb 0.48 0.00 0.23 0.00 -2.33 0.00 0.00 43.42 41.80 2k3u n LEU 76 CO 0.48 0.13 0.60 -3.20 -1.33 0.00 0.00 177.39 174.06 2k3u n ASN 77 N -1.42 0.00 -3.85 -1.43 5.15 -1.05 -4.78 115.26 107.88 2k3u n ASN 77 Ca 0.02 0.21 -0.11 0.00 -0.60 0.00 0.00 54.58 54.10 2k3u n ASN 77 Cb 0.23 -0.32 -0.09 0.00 -0.53 0.00 0.00 39.78 39.08 2k3u n ASN 77 CO 0.00 0.00 0.00 0.42 1.40 0.00 0.00 177.26 179.08 2k3u s THR 78 N -2.64 0.11 0.71 -0.44 -4.23 -1.26 -5.17 115.64 102.72 2k3u s THR 78 Ca 0.08 -0.87 -0.14 0.00 -1.18 0.00 0.00 61.69 59.58 2k3u s THR 78 Cb 0.06 -0.86 0.03 0.00 1.34 0.00 0.00 72.50 73.07 2k3u s THR 78 CO 0.15 -0.48 1.14 -2.84 -0.54 0.00 0.00 174.62 172.05 2k3u s PRO 79 N -2.42 2.38 0.73 3.99 0.02 -1.26 -4.86 135.00 133.58 2k3u s PRO 79 Ca -0.06 1.51 -0.14 0.00 0.02 0.00 0.00 61.00 62.33 2k3u s PRO 79 Cb -0.02 -1.89 0.04 0.00 0.02 0.00 0.00 34.50 32.65 2k3u s PRO 79 CO -0.03 -1.60 1.15 -1.17 -0.33 0.00 0.00 177.00 175.02 2k3u s LEU 80 N -5.20 3.25 0.20 -5.54 2.96 -1.26 -5.04 118.68 108.05 2k3u s LEU 80 Ca 0.69 2.14 0.06 0.00 -0.22 0.00 0.00 54.13 56.80 2k3u s LEU 80 Cb -0.23 -4.56 -0.05 0.00 0.50 0.00 0.00 46.19 41.84 2k3u s LEU 80 CO 0.45 -2.11 -0.09 0.00 -1.32 0.00 0.00 176.35 173.29 2k3u s ALA 81 N -2.31 1.82 0.29 5.97 0.00 -1.26 -4.95 121.76 121.32 2k3u s ALA 81 Ca 0.69 -1.65 0.04 0.00 0.00 0.00 0.00 51.96 51.03 2k3u s ALA 81 Cb -0.24 0.11 0.66 0.00 0.00 0.00 0.00 23.12 23.65 2k3u s ALA 81 CO 0.47 -0.07 1.79 0.93 0.00 0.00 0.00 175.76 178.87 2k3u h GLU 82 N 2.58 0.77 0.00 0.00 5.08 -1.98 0.11 114.58 121.15 2k3u h GLU 82 Ca -0.38 -0.05 0.00 0.00 -1.00 0.00 0.00 59.36 57.94 2k3u h GLU 82 Cb 1.21 -0.17 0.00 0.00 0.50 0.00 0.00 28.75 30.29 2k3u h GLU 82 CO 0.64 0.51 0.00 -0.25 -1.00 0.00 0.00 179.01 178.91 2k3u n ASP 83 N -4.75 0.42 -0.07 1.42 8.00 -1.26 -1.21 116.55 119.10 2k3u n ASP 83 Ca 0.21 0.59 -0.07 0.00 0.71 0.00 0.00 54.79 56.23 2k3u n ASP 83 Cb 0.50 -0.69 -0.11 0.00 -0.02 0.00 0.00 41.12 40.80 2k3u n ASP 83 CO 0.00 0.00 0.00 0.54 -0.39 0.00 0.00 177.20 177.35 2k3u n ARG 84 N -1.96 1.58 -0.14 -1.24 1.74 -0.24 -4.49 116.66 111.92 2k3u n ARG 84 Ca 0.03 0.01 -0.09 0.00 -0.77 0.00 0.00 57.85 57.03 2k3u n ARG 84 Cb 0.23 -1.36 -0.01 0.00 -1.02 0.00 0.00 32.46 30.31 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 0.60 0.00 5.56 1.57 -0.52 -3.19 116.57 120.59 2k3u h LYS 85 Ca -0.38 -0.11 0.00 0.00 -1.87 0.00 0.00 60.65 58.29 2k3u h LYS 85 Cb 1.83 -0.10 0.00 0.00 0.08 0.00 0.00 32.23 34.05 2k3u h LYS 85 CO 0.01 0.57 0.00 0.09 -0.57 0.00 0.00 179.45 179.55 2k3u n ASN 86 N -4.64 0.00 -4.64 0.86 3.02 -0.35 -1.02 115.26 108.48 2k3u n ASN 86 Ca -0.00 -1.24 -0.43 0.00 -0.03 0.00 0.00 54.58 52.88 2k3u n ASN 86 Cb 0.15 0.00 -0.02 0.00 -0.61 0.00 0.00 39.78 39.29 2k3u n ASN 86 CO 0.00 0.00 0.00 -0.69 -2.62 0.00 0.00 177.26 173.95 2k3u s VAL 87 N -2.00 3.79 0.03 2.41 1.01 -1.20 -4.88 120.40 119.56 2k3u s VAL 87 Ca 0.24 0.92 -0.30 0.00 0.00 0.00 0.00 61.98 62.84 2k3u s VAL 87 Cb 0.11 -3.72 -0.07 0.00 0.00 0.00 0.00 36.38 32.70 2k3u s VAL 87 CO 0.18 -0.22 1.54 -1.61 0.00 0.00 0.00 175.10 174.99 2k3u s GLU 88 N 4.28 4.23 -0.13 2.72 0.41 -1.26 -1.45 118.70 127.51 2k3u s GLU 88 Ca 0.68 2.16 -0.29 0.00 -0.41 0.00 0.00 54.97 57.11 2k3u s GLU 88 Cb -0.26 -3.60 -0.01 0.00 -1.78 0.00 0.00 34.13 28.48 2k3u s GLU 88 CO 0.26 -0.67 1.01 -0.51 -0.49 0.00 0.00 175.26 174.86 2k3u s LEU 89 N 2.58 4.22 0.60 1.80 1.43 0.34 -4.94 118.68 124.71 2k3u s LEU 89 Ca 0.69 1.49 0.35 0.00 -1.03 0.00 0.00 54.13 55.64 2k3u s LEU 89 Cb -0.36 -3.54 1.93 0.00 0.03 0.00 0.00 46.19 44.25 2k3u s LEU 89 CO 0.29 -0.48 2.23 -0.07 0.23 0.00 0.00 176.35 178.55 2k3u h LEU 90 N 8.28 0.00 0.00 1.79 3.38 -1.89 -3.47 115.31 123.40 2k3u h LEU 90 Ca -0.29 0.00 0.02 0.00 0.09 0.00 0.00 57.88 57.70 2k3u h LEU 90 Cb 1.13 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.88 2k3u h LEU 90 CO 0.88 0.03 0.05 0.61 0.09 0.00 0.00 178.44 180.09 2k3u n GLY 91 N -0.94 0.90 3.71 0.83 0.00 -1.24 -4.43 105.19 104.01 2k3u n GLY 91 Ca -0.02 -0.89 -0.36 0.00 0.00 0.00 0.00 46.02 44.75 2k3u n GLY 91 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 2k3u n LYS 92 N -0.05 0.72 -1.05 1.61 4.01 -1.26 -4.54 118.16 117.59 2k3u n LYS 92 Ca 0.00 0.31 -0.32 0.00 -0.51 0.00 0.00 58.31 57.79 2k3u n LYS 92 Cb 0.04 -2.48 -0.02 0.00 -0.51 0.00 0.00 35.03 32.06 2k3u n LYS 92 CO 0.00 0.00 0.00 -0.12 -1.11 0.00 0.00 177.40 176.17 2k3u n MET 93 N -2.43 2.47 -0.36 1.97 1.56 -0.88 -2.50 117.12 116.96 2k3u n MET 93 Ca 0.15 -1.83 -0.03 0.00 -0.27 0.00 0.00 57.70 55.72 2k3u n MET 93 Cb 0.49 -2.70 0.10 0.00 2.15 0.00 0.00 33.22 33.26 2k3u n MET 93 CO 0.00 0.00 0.00 -0.92 -0.73 0.00 0.00 175.97 174.32 2k3u h TYR 94 N 6.22 1.26 -2.62 1.12 3.20 -1.04 -2.98 116.97 122.13 2k3u h TYR 94 Ca 0.59 -0.00 -0.10 0.00 3.14 0.00 0.00 58.73 62.36 2k3u h TYR 94 Cb 0.32 -0.41 -0.21 0.00 1.54 0.00 0.00 36.73 37.97 2k3u h TYR 94 CO 1.77 0.83 -0.12 0.21 -1.64 0.00 0.00 178.16 179.21 2k3u s LYS 95 N -5.98 0.73 0.02 1.82 2.47 -0.88 -1.55 119.74 116.37 2k3u s LYS 95 Ca -0.13 0.22 0.01 0.00 -1.56 0.00 0.00 55.97 54.50 2k3u s LYS 95 Cb 0.17 0.34 -0.01 0.00 -1.46 0.00 0.00 37.83 36.87 2k3u s LYS 95 CO 0.83 -0.18 -0.04 0.99 0.16 0.00 0.00 175.35 177.11 2k3u s THR 96 N -0.75 0.21 0.05 3.43 2.01 -0.11 -0.97 115.64 119.51 2k3u s THR 96 Ca -0.08 -0.62 0.08 0.00 0.31 0.00 0.00 61.69 61.38 2k3u s THR 96 Cb -0.03 -0.28 -0.03 0.00 0.01 0.00 0.00 72.50 72.17 2k3u s THR 96 CO 0.04 -0.26 -0.22 -0.31 -0.69 0.00 0.00 174.62 173.19 2k3u s TYR 97 N -0.88 1.91 0.02 4.92 2.02 0.07 -1.62 117.35 123.78 2k3u s TYR 97 Ca -0.08 -0.38 0.01 0.00 -0.37 0.00 0.00 57.07 56.25 2k3u s TYR 97 Cb -0.06 -1.13 -0.01 0.00 -0.40 0.00 0.00 41.96 40.35 2k3u s TYR 97 CO -0.00 0.11 -0.05 -0.06 -1.57 0.00 0.00 175.55 173.97 2k3u s PHE 98 N -0.82 0.42 -0.03 2.71 0.40 0.15 -1.08 117.98 119.74 2k3u s PHE 98 Ca 0.08 -0.29 0.02 0.00 -0.60 0.00 0.00 56.93 56.14 2k3u s PHE 98 Cb -0.09 -0.26 0.01 0.00 0.51 0.00 0.00 43.02 43.18 2k3u s PHE 98 CO 0.02 -0.06 -0.07 -0.06 0.70 0.00 0.00 175.22 175.74 2k3u s PHE 99 N -0.76 0.83 0.64 0.36 0.40 -1.05 -1.18 117.98 117.23 2k3u s PHE 99 Ca -0.06 -0.21 -0.13 0.00 -0.60 0.00 0.00 56.93 55.94 2k3u s PHE 99 Cb -0.06 -0.62 -0.02 0.00 0.51 0.00 0.00 43.02 42.83 2k3u s PHE 99 CO -0.00 -0.11 1.04 0.15 0.70 0.00 0.00 175.22 177.01 2k3u s LYS 100 N 0.32 3.27 -0.38 0.44 3.01 -1.26 -1.25 119.74 123.89 2k3u s LYS 100 Ca -0.05 0.96 -0.39 0.00 -1.01 0.00 0.00 55.97 55.48 2k3u s LYS 100 Cb -0.09 -2.03 -0.15 0.00 -1.01 0.00 0.00 37.83 34.55 2k3u s LYS 100 CO 0.00 -0.83 2.04 1.63 0.51 0.00 0.00 175.35 178.70 2k3u n LYS 101 N -2.64 0.75 -0.01 1.68 5.02 0.01 -1.38 118.16 121.59 2k3u n LYS 101 Ca 0.07 0.23 0.00 0.00 -2.02 0.00 0.00 58.31 56.59 2k3u n LYS 101 Cb 0.54 -2.07 0.00 0.00 -0.02 0.00 0.00 35.03 33.48 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 6.12 0.26 3.98 0.72 0.00 -1.26 -5.04 105.19 109.97 2k3u n GLY 102 Ca 0.41 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 46.19 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 -0.93 1.66 0.00 1.61 2.02 -0.48 -5.06 118.70 117.52 2k3u s GLU 103 Ca 0.00 -0.90 0.00 0.00 0.02 0.00 0.00 54.97 54.09 2k3u s GLU 103 Cb 0.00 -2.26 0.00 0.00 0.10 0.00 0.00 34.13 31.97 2k3u s GLU 103 CO 0.00 -1.50 0.43 -1.13 0.02 0.00 0.00 175.26 173.09 2k3u n SER 104 N -2.93 0.00 -4.04 -0.19 3.41 -1.26 -4.90 113.62 103.70 2k3u n SER 104 Ca 0.14 -1.17 -0.21 0.00 -0.26 0.00 0.00 58.87 57.37 2k3u n SER 104 Cb 0.60 -0.03 -0.15 0.00 -0.26 0.00 0.00 64.21 64.37 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 0.97 0.88 4.33 2.20 -1.26 -5.15 119.74 121.71 2k3u s LYS 105 Ca 0.00 -0.38 -0.10 0.00 -0.36 0.00 0.00 55.97 55.13 2k3u s LYS 105 Cb 0.00 -0.92 0.12 0.00 -1.51 0.00 0.00 37.83 35.53 2k3u s LYS 105 CO 0.00 0.20 1.12 -1.54 -0.36 0.00 0.00 175.35 174.77 2k3u s SER 106 N -0.09 3.35 0.00 1.43 1.04 -1.26 -4.80 113.70 113.36 2k3u s SER 106 Ca 0.01 2.02 0.00 0.00 0.48 0.00 0.00 55.95 58.46 2k3u s SER 106 Cb -0.06 -2.52 0.00 0.00 0.10 0.00 0.00 66.02 63.53 2k3u s SER 106 CO -0.00 -2.80 0.00 -0.24 0.98 0.00 0.00 173.24 171.18 2k3u n SER 107 N -4.03 2.25 -4.24 7.02 2.88 -0.32 -4.99 113.62 112.19 2k3u n SER 107 Ca 0.10 0.00 -0.26 0.00 -1.33 0.00 0.00 58.87 57.39 2k3u n SER 107 Cb 0.53 0.39 -0.14 0.00 -0.75 0.00 0.00 64.21 64.23 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 -1.06 1.80 0.03 0.66 5.04 -1.15 -5.03 117.35 117.65 2k3u s TYR 108 Ca 0.00 -0.37 -0.13 0.00 -2.44 0.00 0.00 57.07 54.13 2k3u s TYR 108 Cb 0.00 -1.09 0.02 0.00 0.35 0.00 0.00 41.96 41.24 2k3u s TYR 108 CO 0.00 0.07 0.28 0.14 -1.34 0.00 0.00 175.55 174.69 2k3u s VAL 109 N -0.74 0.08 -0.05 3.14 -7.23 -1.26 -0.67 120.40 113.67 2k3u s VAL 109 Ca 0.07 -0.68 -0.03 0.00 -1.81 0.00 0.00 61.98 59.54 2k3u s VAL 109 Cb -0.09 -0.84 0.03 0.00 0.56 0.00 0.00 36.38 36.04 2k3u s VAL 109 CO 0.01 -0.37 0.11 -0.63 -0.31 0.00 0.00 175.10 173.91 2k3u s ILE 110 N -2.25 -0.03 0.11 -0.62 1.01 -0.64 -5.00 121.20 113.78 2k3u s ILE 110 Ca -0.07 0.11 0.05 0.00 0.00 0.00 0.00 60.65 60.75 2k3u s ILE 110 Cb -0.02 -0.18 -0.04 0.00 0.01 0.00 0.00 42.46 42.23 2k3u s ILE 110 CO -0.02 0.05 0.00 0.20 0.00 0.00 0.00 174.94 175.17 2k3u s ASN 111 N 0.71 4.98 0.00 3.58 0.01 -1.26 -0.93 114.94 122.03 2k3u s ASN 111 Ca -0.05 -0.22 0.00 0.00 -0.71 0.00 0.00 52.86 51.87 2k3u s ASN 111 Cb -0.07 -1.16 0.00 0.00 0.41 0.00 0.00 41.25 40.42 2k3u s ASN 111 CO -0.03 0.15 0.00 0.61 -1.51 0.00 0.00 177.10 176.32 2k3u n GLY 112 N 0.39 2.23 3.76 0.66 0.00 -0.60 -4.94 105.19 106.70 2k3u n GLY 112 Ca -0.11 -0.96 -0.39 0.00 0.00 0.00 0.00 46.02 44.56 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 -1.36 3.62 0.00 1.61 0.04 -1.23 -4.29 135.00 133.39 2k3u s PRO 113 Ca 0.00 2.18 0.00 0.00 0.04 0.00 0.00 61.00 63.22 2k3u s PRO 113 Cb 0.00 -2.53 0.00 0.00 0.04 0.00 0.00 34.50 32.01 2k3u s PRO 113 CO 0.00 -0.79 0.00 0.41 0.04 0.00 0.00 177.00 176.66 2k3u n GLY 114 N 0.63 0.78 4.99 0.56 0.00 -1.26 -0.98 105.19 109.90 2k3u n GLY 114 Ca 0.07 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.09 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 -3.54 1.61 4.81 -1.26 -4.71 118.16 115.07 2k3u n LYS 115 Ca 0.00 0.00 -0.12 0.00 -0.87 0.00 0.00 58.31 57.32 2k3u n LYS 115 Cb 0.00 -3.09 -0.05 0.00 0.02 0.00 0.00 35.03 31.92 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 -0.01 0.00 0.10 3.15 -1.32 -1.26 -5.03 115.64 111.27 2k3u s THR 116 Ca 0.00 0.00 0.14 0.00 -1.21 0.00 0.00 61.69 60.62 2k3u s THR 116 Cb 0.00 -1.00 0.02 0.00 -1.51 0.00 0.00 72.50 70.01 2k3u s THR 116 CO 0.00 0.00 1.55 0.78 -2.21 0.00 0.00 174.62 174.74 2k3u h ASN 117 N 2.57 0.00 -0.07 8.08 4.21 -1.87 -3.35 115.58 125.15 2k3u h ASN 117 Ca -0.22 0.00 -0.03 0.00 1.21 0.00 0.00 56.30 57.26 2k3u h ASN 117 Cb 1.17 0.00 -0.02 0.00 -1.12 0.00 0.00 38.32 38.36 2k3u h ASN 117 CO 0.34 0.57 0.04 -0.62 -1.29 0.00 0.00 177.43 176.47 2k3u n GLU 118 N -3.48 1.11 -1.68 0.81 1.02 -1.26 -0.41 120.64 116.76 2k3u n GLU 118 Ca 0.00 -0.21 0.00 0.00 -0.02 0.00 0.00 57.16 56.93 2k3u n GLU 118 Cb 0.67 -1.14 0.00 0.00 -0.02 0.00 0.00 31.44 30.95 2k3u n GLU 118 CO 0.00 0.00 0.00 0.98 1.18 0.00 0.00 177.13 179.29 2k3u n TYR 119 N 0.35 -4.54 -1.30 -0.32 9.36 -1.26 -4.80 117.16 114.65 2k3u n TYR 119 Ca 0.04 2.40 -0.23 0.00 3.32 0.00 0.00 57.90 63.43 2k3u n TYR 119 Cb 0.55 -3.59 -0.10 0.00 -0.63 0.00 0.00 39.34 35.57 2k3u n TYR 119 CO 0.00 0.00 0.00 0.00 0.22 0.00 0.00 176.86 177.08 2k3u n ALA 120 N -0.49 6.58 -1.19 2.98 0.00 -1.26 -4.95 120.51 122.18 2k3u n ALA 120 Ca 0.00 -2.65 0.00 0.00 0.00 0.00 0.00 53.44 50.79 2k3u n ALA 120 Cb 0.00 -2.42 0.00 0.00 0.00 0.00 0.00 19.45 17.03 2k3u n ALA 120 CO 0.00 0.00 0.00 0.98 0.00 0.00 0.00 177.50 178.48