#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 0.02 -2.64 6.41 7.64 -1.26 -5.05 113.62 118.74 2k3u n SER 32 Ca 0.00 -1.55 -0.11 0.00 1.01 0.00 0.00 58.87 58.22 2k3u n SER 32 Cb 0.00 -0.11 0.06 0.00 -1.01 0.00 0.00 64.21 63.15 2k3u n SER 32 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2k3u n GLY 33 N -0.01 -0.20 3.23 0.23 0.00 -1.26 -5.06 105.19 102.12 2k3u n GLY 33 Ca 0.00 0.02 -0.23 0.00 0.00 0.00 0.00 46.02 45.81 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 -4.84 2.23 0.72 0.99 1.43 -1.26 -5.02 118.68 112.94 2k3u s LEU 34 Ca 0.08 -0.59 -0.13 0.00 -1.03 0.00 0.00 54.13 52.47 2k3u s LEU 34 Cb -0.01 -0.80 0.03 0.00 0.03 0.00 0.00 46.19 45.44 2k3u s LEU 34 CO 0.49 0.06 1.12 -2.16 0.23 0.00 0.00 176.35 176.09 2k3u s PRO 35 N -1.53 2.42 0.00 1.29 0.04 -1.26 -5.01 135.00 130.94 2k3u s PRO 35 Ca 0.04 1.37 0.00 0.00 0.04 0.00 0.00 61.00 62.45 2k3u s PRO 35 Cb -0.09 -1.90 0.00 0.00 0.04 0.00 0.00 34.50 32.54 2k3u s PRO 35 CO 0.03 -1.55 0.14 -2.37 0.04 0.00 0.00 177.00 173.29 2k3u n THR 36 N -2.96 0.00 -4.28 1.26 5.66 -1.26 -4.67 114.28 108.04 2k3u n THR 36 Ca 0.10 -0.18 -0.23 0.00 -3.05 0.00 0.00 64.05 60.69 2k3u n THR 36 Cb 0.52 1.51 -0.17 0.00 -1.55 0.00 0.00 70.33 70.65 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 -0.07 0.88 0.22 1.09 -4.23 -1.26 -2.37 115.64 109.89 2k3u s THR 37 Ca 0.00 -0.29 -0.08 0.00 -1.18 0.00 0.00 61.69 60.14 2k3u s THR 37 Cb 0.00 -0.86 0.18 0.00 1.34 0.00 0.00 72.50 73.16 2k3u s THR 37 CO 0.00 0.31 1.84 0.25 -0.54 0.00 0.00 174.62 176.48 2k3u h LEU 38 N 7.33 0.74 -1.21 4.79 6.46 -1.43 -3.04 115.31 128.96 2k3u h LEU 38 Ca -0.32 0.02 0.19 0.00 -0.12 0.00 0.00 57.88 57.64 2k3u h LEU 38 Cb 1.16 -0.14 -0.09 0.00 -0.73 0.00 0.00 40.66 40.86 2k3u h LEU 38 CO 0.45 0.48 0.61 1.23 -0.62 0.00 0.00 178.44 180.59 2k3u h GLY 39 N 0.87 1.42 1.02 3.75 0.00 -1.20 0.15 103.07 109.09 2k3u h GLY 39 Ca 0.33 -0.30 -0.12 0.00 0.00 0.00 0.00 47.33 47.24 2k3u h GLY 39 CO -0.16 -0.02 -0.26 0.50 0.00 0.00 0.00 176.54 176.60 2k3u h LYS 40 N 0.64 0.80 -0.35 4.80 1.57 -1.74 -2.01 116.57 120.28 2k3u h LYS 40 Ca 0.53 -0.39 -0.17 0.00 -1.87 0.00 0.00 60.65 58.76 2k3u h LYS 40 Cb 0.98 -0.00 -0.00 0.00 0.08 0.00 0.00 32.23 33.29 2k3u h LYS 40 CO -0.29 1.02 -0.43 1.25 -0.57 0.00 0.00 179.45 180.43 2k3u h LEU 41 N 0.58 0.99 -0.55 2.94 6.46 -1.34 -2.69 115.31 121.70 2k3u h LEU 41 Ca 0.07 -0.49 0.08 0.00 -0.12 0.00 0.00 57.88 57.42 2k3u h LEU 41 Cb 0.83 -0.28 -0.06 0.00 -0.73 0.00 0.00 40.66 40.42 2k3u h LEU 41 CO 0.07 1.28 0.20 -0.78 -0.62 0.00 0.00 178.44 178.58 2k3u h ASP 42 N 0.72 0.19 -0.82 1.25 3.58 -0.75 0.49 116.42 121.08 2k3u h ASP 42 Ca 0.05 0.07 -0.02 0.00 0.42 0.00 0.00 57.03 57.54 2k3u h ASP 42 Cb 1.03 0.05 -0.04 0.00 1.72 0.00 0.00 39.33 42.09 2k3u h ASP 42 CO 0.10 0.13 0.43 -0.08 -2.88 0.00 0.00 179.24 176.94 2k3u h GLU 43 N 0.38 1.16 -0.46 0.28 4.81 -1.31 -1.12 114.58 118.33 2k3u h GLU 43 Ca 0.27 -0.15 -0.03 0.00 -0.13 0.00 0.00 59.36 59.32 2k3u h GLU 43 Cb 0.31 -0.22 -0.02 0.00 0.63 0.00 0.00 28.75 29.45 2k3u h GLU 43 CO -0.28 0.87 0.16 -0.09 -0.73 0.00 0.00 179.01 178.94 2k3u h ARG 44 N 1.15 0.70 -0.53 1.92 2.43 -1.06 -2.08 114.38 116.91 2k3u h ARG 44 Ca 0.29 -0.14 -0.09 0.00 -0.81 0.00 0.00 59.98 59.22 2k3u h ARG 44 Cb 0.06 -0.11 -0.02 0.00 -0.42 0.00 0.00 29.97 29.49 2k3u h ARG 44 CO -0.04 0.66 -0.03 -0.07 -1.51 0.00 0.00 179.97 178.97 2k3u h LEU 45 N 0.60 0.95 -0.99 3.80 3.38 -0.48 0.14 115.31 122.71 2k3u h LEU 45 Ca 0.15 -0.32 -0.08 0.00 0.09 0.00 0.00 57.88 57.72 2k3u h LEU 45 Cb 0.24 -0.26 -0.01 0.00 0.09 0.00 0.00 40.66 40.72 2k3u h LEU 45 CO -0.01 1.05 -0.36 0.08 0.09 0.00 0.00 178.44 179.29 2k3u h ARG 46 N 0.84 0.00 -0.22 1.13 0.11 -1.25 -2.18 114.38 112.82 2k3u h ARG 46 Ca 0.15 0.00 -0.02 0.00 0.10 0.00 0.00 59.98 60.20 2k3u h ARG 46 Cb 0.58 0.00 -0.01 0.00 1.11 0.00 0.00 29.97 31.65 2k3u h ARG 46 CO 0.03 0.36 0.04 -0.91 0.10 0.00 0.00 179.97 179.60 2k3u h ASN 47 N 0.00 0.34 -0.75 0.08 2.35 -1.11 -3.23 115.58 113.26 2k3u h ASN 47 Ca -0.00 -0.25 0.19 0.00 -0.55 0.00 0.00 56.30 55.69 2k3u h ASN 47 Cb 0.86 -0.09 -0.04 0.00 0.05 0.00 0.00 38.32 39.10 2k3u h ASN 47 CO 0.05 0.50 0.52 1.88 -1.65 0.00 0.00 177.43 178.73 2k3u h TYR 48 N 0.16 0.22 0.20 1.19 0.05 -0.16 0.74 116.97 119.37 2k3u h TYR 48 Ca 0.07 0.01 -0.01 0.00 0.05 0.00 0.00 58.73 58.84 2k3u h TYR 48 Cb 0.30 -0.07 0.00 0.00 1.01 0.00 0.00 36.73 37.98 2k3u h TYR 48 CO 0.02 0.07 -0.10 -0.07 -1.05 0.00 0.00 178.16 177.03 2k3u h LEU 49 N 0.17 -0.23 -0.56 3.88 3.38 -1.43 -0.71 115.31 119.82 2k3u h LEU 49 Ca 0.37 -0.14 -0.09 0.00 0.09 0.00 0.00 57.88 58.10 2k3u h LEU 49 Cb 1.19 0.06 -0.02 0.00 0.09 0.00 0.00 40.66 41.98 2k3u h LEU 49 CO -0.06 0.01 0.01 0.11 0.09 0.00 0.00 178.44 178.60 2k3u h LYS 50 N -0.47 0.98 0.00 1.13 1.57 -1.37 -0.34 116.57 118.07 2k3u h LYS 50 Ca -0.03 -0.31 0.00 0.00 -1.87 0.00 0.00 60.65 58.44 2k3u h LYS 50 Cb 0.36 -0.09 0.00 0.00 0.08 0.00 0.00 32.23 32.58 2k3u h LYS 50 CO 0.05 0.98 0.00 0.87 -0.57 0.00 0.00 179.45 180.78 2k3u h LYS 51 N 0.87 0.00 0.00 3.15 1.57 -0.97 -3.39 116.57 117.80 2k3u h LYS 51 Ca 0.16 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.94 2k3u h LYS 51 Cb 0.53 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.84 2k3u h LYS 51 CO 0.03 0.00 0.00 0.41 -0.57 0.00 0.00 179.45 179.32 2k3u n GLY 52 N 0.20 0.88 4.00 3.86 0.00 -0.27 -5.01 105.19 108.84 2k3u n GLY 52 Ca 0.02 0.00 -0.17 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 -0.10 2.93 0.07 2.61 -4.23 -0.16 -4.99 115.64 111.78 2k3u s THR 53 Ca 0.00 -1.03 0.04 0.00 -1.18 0.00 0.00 61.69 59.52 2k3u s THR 53 Cb 0.00 -2.96 -0.24 0.00 1.34 0.00 0.00 72.50 70.65 2k3u s THR 53 CO 0.00 0.00 1.10 0.11 -0.54 0.00 0.00 174.62 175.29 2k3u h LYS 54 N 0.65 0.08 -2.75 3.99 6.56 -1.91 -3.46 116.57 119.73 2k3u h LYS 54 Ca -0.40 -0.14 -0.17 0.00 -1.06 0.00 0.00 60.65 58.88 2k3u h LYS 54 Cb 1.28 0.05 -0.30 0.00 -0.57 0.00 0.00 32.23 32.69 2k3u h LYS 54 CO 0.46 0.98 -0.46 1.21 -2.06 0.00 0.00 179.45 179.58 2k3u s ASN 55 N -6.74 0.06 0.14 0.86 2.47 -1.26 -5.05 114.94 105.42 2k3u s ASN 55 Ca -0.02 0.74 0.20 0.00 0.42 0.00 0.00 52.86 54.20 2k3u s ASN 55 Cb 0.09 0.90 -0.06 0.00 -1.45 0.00 0.00 41.25 40.72 2k3u s ASN 55 CO 0.84 -0.23 0.94 -0.24 -3.72 0.00 0.00 177.10 174.69 2k3u n SER 56 N 5.22 0.84 0.19 -4.21 2.88 -1.26 -4.57 113.62 112.71 2k3u n SER 56 Ca -0.09 0.34 0.13 0.00 -1.33 0.00 0.00 58.87 57.92 2k3u n SER 56 Cb 0.50 0.36 0.68 0.00 -0.75 0.00 0.00 64.21 65.00 2k3u n SER 56 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 2k3u h ALA 57 N 1.76 1.01 0.00 -1.46 0.00 -1.98 -0.41 119.26 118.18 2k3u h ALA 57 Ca -0.07 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.84 2k3u h ALA 57 Cb 1.25 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.04 2k3u h ALA 57 CO 0.02 -0.01 -0.09 -0.56 0.00 0.00 0.00 179.25 178.60 2k3u h GLN 58 N 0.00 0.00 -7.24 0.00 3.07 -1.99 -3.48 115.11 105.46 2k3u h GLN 58 Ca 0.00 0.00 -0.49 0.00 0.09 0.00 0.00 58.65 58.25 2k3u h GLN 58 Cb 0.04 0.00 0.03 0.00 0.08 0.00 0.00 27.48 27.63 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 -3.18 3.53 0.00 0.06 0.08 -0.17 -1.19 117.98 117.12 2k3u s PHE 59 Ca 0.08 1.35 0.00 0.00 0.12 0.00 0.00 56.93 58.48 2k3u s PHE 59 Cb 0.08 -2.73 0.00 0.00 -0.57 0.00 0.00 43.02 39.80 2k3u s PHE 59 CO 0.65 -0.49 0.00 -1.91 -0.10 0.00 0.00 175.22 173.37 2k3u n GLU 60 N -2.08 0.00 -4.03 0.44 2.13 -0.19 -4.59 120.64 112.32 2k3u n GLU 60 Ca 0.06 0.00 -0.10 0.00 0.66 0.00 0.00 57.16 57.78 2k3u n GLU 60 Cb 0.54 -0.57 -0.05 0.00 0.27 0.00 0.00 31.44 31.63 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 -1.23 1.58 0.03 5.31 -2.85 -1.18 -0.57 119.74 120.84 2k3u s LYS 61 Ca 0.00 -1.37 -0.02 0.00 -1.00 0.00 0.00 55.97 53.58 2k3u s LYS 61 Cb 0.00 0.45 -0.02 0.00 -2.06 0.00 0.00 37.83 36.19 2k3u s LYS 61 CO 0.00 -0.65 0.00 0.00 0.10 0.00 0.00 175.35 174.81 2k3u s MET 62 N -3.84 0.48 -0.00 1.78 0.23 -0.39 -1.96 119.30 115.59 2k3u s MET 62 Ca 0.25 -0.83 -0.00 0.00 -1.03 0.00 0.00 55.69 54.08 2k3u s MET 62 Cb 0.00 0.17 -0.00 0.00 -1.53 0.00 0.00 34.83 33.47 2k3u s MET 62 CO 0.11 -0.09 0.01 0.54 -2.03 0.00 0.00 175.02 173.55 2k3u s VAL 63 N -2.50 0.01 -0.08 5.16 0.11 -0.15 -0.96 120.40 121.99 2k3u s VAL 63 Ca -0.06 -0.08 0.01 0.00 -2.93 0.00 0.00 61.98 58.92 2k3u s VAL 63 Cb -0.02 -0.05 0.02 0.00 -1.53 0.00 0.00 36.38 34.80 2k3u s VAL 63 CO -0.05 -0.04 -0.09 -0.63 -3.33 0.00 0.00 175.10 170.96 2k3u s ILE 64 N -0.13 0.95 -0.14 7.04 1.01 0.19 -0.83 121.20 129.31 2k3u s ILE 64 Ca -0.01 -0.32 0.01 0.00 0.00 0.00 0.00 60.65 60.32 2k3u s ILE 64 Cb -0.01 -0.93 -0.00 0.00 0.01 0.00 0.00 42.46 41.53 2k3u s ILE 64 CO -0.00 0.33 -0.18 -0.76 0.00 0.00 0.00 174.94 174.33 2k3u s LEU 65 N 1.10 2.37 0.43 2.97 1.43 -0.14 -1.92 118.68 124.91 2k3u s LEU 65 Ca -0.07 -0.49 0.06 0.00 -1.03 0.00 0.00 54.13 52.60 2k3u s LEU 65 Cb -0.14 -1.52 -0.06 0.00 0.03 0.00 0.00 46.19 44.50 2k3u s LEU 65 CO -0.01 0.11 0.03 0.42 0.23 0.00 0.00 176.35 177.13 2k3u s THR 66 N 0.64 1.85 1.03 5.49 -4.23 -0.86 -1.95 115.64 117.60 2k3u s THR 66 Ca -0.09 -1.96 -0.16 0.00 -1.18 0.00 0.00 61.69 58.30 2k3u s THR 66 Cb -0.16 -2.81 0.07 0.00 1.34 0.00 0.00 72.50 70.93 2k3u s THR 66 CO 0.02 0.00 0.20 -0.62 -0.54 0.00 0.00 174.62 173.69 2k3u n GLU 67 N -1.07 -0.90 -2.50 3.99 1.02 -0.97 -3.56 120.64 116.65 2k3u n GLU 67 Ca -0.07 -0.23 -0.21 0.00 -0.02 0.00 0.00 57.16 56.62 2k3u n GLU 67 Cb 0.67 -1.77 -0.00 0.00 -0.02 0.00 0.00 31.44 30.31 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 -1.42 -5.90 -2.65 1.62 3.02 -0.40 -3.10 115.26 106.43 2k3u n ASN 68 Ca 0.04 -0.05 -0.12 0.00 -0.03 0.00 0.00 54.58 54.42 2k3u n ASN 68 Cb 0.58 -4.89 -0.01 0.00 -0.61 0.00 0.00 39.78 34.85 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 -3.17 -2.60 -1.89 3.52 5.02 0.10 -4.92 118.16 114.23 2k3u n LYS 69 Ca -0.22 0.43 -0.40 0.00 -2.02 0.00 0.00 58.31 56.09 2k3u n LYS 69 Cb 0.68 -5.02 0.00 0.00 -0.02 0.00 0.00 35.03 30.67 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 -2.16 2.93 -0.03 0.72 0.00 -1.18 -4.90 107.32 102.70 2k3u s GLY 70 Ca 0.08 1.42 -0.00 0.00 0.00 0.00 0.00 44.72 46.22 2k3u s GLY 70 CO 0.10 2.05 0.05 -0.47 0.00 0.00 0.00 173.10 174.83 2k3u s TYR 71 N -1.19 0.01 -0.03 1.90 6.14 -1.26 -2.03 117.35 120.89 2k3u s TYR 71 Ca 0.57 0.18 -0.05 0.00 0.64 0.00 0.00 57.07 58.41 2k3u s TYR 71 Cb -0.43 -0.23 0.01 0.00 0.42 0.00 0.00 41.96 41.73 2k3u s TYR 71 CO 0.56 -0.10 0.12 0.71 0.64 0.00 0.00 175.55 177.48 2k3u s TYR 72 N 1.15 -0.05 -0.06 4.97 1.51 -0.81 -5.00 117.35 119.06 2k3u s TYR 72 Ca -0.08 0.13 -0.04 0.00 -1.01 0.00 0.00 57.07 56.06 2k3u s TYR 72 Cb -0.13 -0.00 0.03 0.00 -0.11 0.00 0.00 41.96 41.75 2k3u s TYR 72 CO -0.03 -0.14 0.15 -0.08 -1.11 0.00 0.00 175.55 174.34 2k3u s THR 73 N -0.50 -0.02 -0.12 -0.71 -1.32 -1.26 -0.63 115.64 111.08 2k3u s THR 73 Ca -0.06 0.08 -0.04 0.00 -1.21 0.00 0.00 61.69 60.46 2k3u s THR 73 Cb -0.04 -0.24 0.06 0.00 -1.51 0.00 0.00 72.50 70.77 2k3u s THR 73 CO 0.00 0.03 0.16 -0.69 -2.21 0.00 0.00 174.62 171.91 2k3u s VAL 74 N 0.57 -0.24 -0.11 5.08 1.01 -0.13 -5.01 120.40 121.57 2k3u s VAL 74 Ca -0.04 0.18 -0.29 0.00 0.00 0.00 0.00 61.98 61.83 2k3u s VAL 74 Cb -0.06 -0.41 -0.05 0.00 0.00 0.00 0.00 36.38 35.87 2k3u s VAL 74 CO -0.03 0.01 1.66 -0.31 0.00 0.00 0.00 175.10 176.43 2k3u s TYR 75 N 2.27 2.00 0.14 5.22 2.02 -1.26 -1.26 117.35 126.48 2k3u s TYR 75 Ca 0.04 0.32 0.34 0.00 -0.37 0.00 0.00 57.07 57.40 2k3u s TYR 75 Cb -0.13 -3.93 1.43 0.00 -0.40 0.00 0.00 41.96 38.93 2k3u s TYR 75 CO -0.07 -3.55 2.01 -0.07 -1.57 0.00 0.00 175.55 172.29 2k3u h LEU 76 N 10.82 0.00 -1.98 -1.29 3.38 -1.18 -3.26 115.31 121.81 2k3u h LEU 76 Ca -0.37 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.60 2k3u h LEU 76 Cb 1.17 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.92 2k3u h LEU 76 CO 0.97 0.01 0.00 0.78 0.09 0.00 0.00 178.44 180.28 2k3u h ASN 77 N 0.00 0.00 -3.73 -0.43 2.35 -1.90 -3.45 115.58 108.43 2k3u h ASN 77 Ca -0.00 0.00 -0.22 0.00 -0.55 0.00 0.00 56.30 55.53 2k3u h ASN 77 Cb 0.48 0.00 -0.28 0.00 0.05 0.00 0.00 38.32 38.57 2k3u h ASN 77 CO 0.00 0.00 -0.63 0.42 -1.65 0.00 0.00 177.43 175.57 2k3u s THR 78 N -3.82 -0.01 0.21 2.81 -4.23 -1.23 -5.14 115.64 104.24 2k3u s THR 78 Ca -0.01 0.02 -0.32 0.00 -1.18 0.00 0.00 61.69 60.20 2k3u s THR 78 Cb 0.10 -0.13 -0.12 0.00 1.34 0.00 0.00 72.50 73.70 2k3u s THR 78 CO 0.46 0.01 1.69 -2.65 -0.54 0.00 0.00 174.62 173.59 2k3u n PRO 79 N 3.17 2.69 -2.58 3.99 -0.02 -1.26 -4.91 135.00 136.08 2k3u n PRO 79 Ca -0.14 0.97 -0.41 0.00 -2.02 0.00 0.00 63.50 61.90 2k3u n PRO 79 Cb 0.59 -2.80 -0.04 0.00 -0.02 0.00 0.00 33.50 31.22 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 0.95 4.51 0.86 2.45 2.34 -1.26 -5.06 118.68 123.47 2k3u s LEU 80 Ca 0.74 2.02 -0.12 0.00 0.06 0.00 0.00 54.13 56.84 2k3u s LEU 80 Cb -0.53 -3.60 0.11 0.00 -0.56 0.00 0.00 46.19 41.61 2k3u s LEU 80 CO 0.35 -0.15 1.11 0.00 -1.06 0.00 0.00 176.35 176.60 2k3u s ALA 81 N -0.32 1.96 0.28 1.48 0.00 -1.26 -4.77 121.76 119.14 2k3u s ALA 81 Ca 0.48 -0.33 0.03 0.00 0.00 0.00 0.00 51.96 52.14 2k3u s ALA 81 Cb -0.28 -3.08 0.68 0.00 0.00 0.00 0.00 23.12 20.44 2k3u s ALA 81 CO 0.34 -2.04 1.71 0.93 0.00 0.00 0.00 175.76 176.70 2k3u h GLU 82 N -1.32 0.45 0.00 0.00 5.08 -1.98 -0.88 114.58 115.93 2k3u h GLU 82 Ca -0.49 -0.03 -0.00 0.00 -1.00 0.00 0.00 59.36 57.84 2k3u h GLU 82 Cb 1.30 -0.10 -0.00 0.00 0.50 0.00 0.00 28.75 30.45 2k3u h GLU 82 CO 0.60 0.30 -0.02 -0.44 -1.00 0.00 0.00 179.01 178.44 2k3u h ASP 83 N 0.46 0.00 0.32 1.42 3.32 -1.95 -0.97 116.42 119.02 2k3u h ASP 83 Ca 0.54 0.00 -0.33 0.00 0.02 0.00 0.00 57.03 57.26 2k3u h ASP 83 Cb 0.96 0.00 -0.03 0.00 0.22 0.00 0.00 39.33 40.48 2k3u h ASP 83 CO -0.48 0.02 -1.81 0.03 -1.72 0.00 0.00 179.24 175.28 2k3u h ARG 84 N 0.00 0.16 -0.01 3.56 3.08 -1.58 -2.92 114.38 116.66 2k3u h ARG 84 Ca -0.00 -0.27 0.00 0.00 0.07 0.00 0.00 59.98 59.78 2k3u h ARG 84 Cb 0.46 0.10 -0.00 0.00 0.08 0.00 0.00 29.97 30.61 2k3u h ARG 84 CO 0.00 0.91 0.01 0.87 -1.07 0.00 0.00 179.97 180.70 2k3u h LYS 85 N 0.04 0.00 -0.17 0.04 1.57 -0.64 -3.05 116.57 114.36 2k3u h LYS 85 Ca -0.34 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.44 2k3u h LYS 85 Cb 2.02 0.00 0.00 0.00 0.08 0.00 0.00 32.23 34.33 2k3u h LYS 85 CO 0.10 0.00 0.00 0.09 -0.57 0.00 0.00 179.45 179.07 2k3u n ASN 86 N -4.06 2.36 -4.78 0.86 4.13 -0.42 -1.02 115.26 112.33 2k3u n ASN 86 Ca -0.03 -1.82 -0.37 0.00 1.68 0.00 0.00 54.58 54.04 2k3u n ASN 86 Cb 0.10 -0.11 -0.03 0.00 -1.54 0.00 0.00 39.78 38.20 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 -0.90 3.44 0.10 2.41 0.11 -1.10 -4.82 120.40 119.64 2k3u s VAL 87 Ca 0.14 1.10 -0.30 0.00 -2.93 0.00 0.00 61.98 59.99 2k3u s VAL 87 Cb 0.08 -3.57 -0.06 0.00 -1.53 0.00 0.00 36.38 31.30 2k3u s VAL 87 CO 0.10 0.01 0.95 -0.70 -3.33 0.00 0.00 175.10 172.13 2k3u s GLU 88 N -2.55 4.68 -0.05 1.54 2.12 -1.26 -1.72 118.70 121.46 2k3u s GLU 88 Ca 0.60 1.43 -0.28 0.00 0.36 0.00 0.00 54.97 57.08 2k3u s GLU 88 Cb -0.25 -3.38 -0.03 0.00 0.26 0.00 0.00 34.13 30.73 2k3u s GLU 88 CO 0.31 0.20 0.90 -0.51 -0.54 0.00 0.00 175.26 175.62 2k3u s LEU 89 N 0.05 4.32 0.22 2.70 1.43 -1.00 -4.89 118.68 121.52 2k3u s LEU 89 Ca 0.47 1.48 0.08 0.00 -1.03 0.00 0.00 54.13 55.13 2k3u s LEU 89 Cb -0.23 -3.41 0.18 0.00 0.03 0.00 0.00 46.19 42.76 2k3u s LEU 89 CO 0.29 -0.26 1.51 -0.07 0.23 0.00 0.00 176.35 178.05 2k3u h LEU 90 N 7.09 0.04 0.00 1.79 3.38 -1.89 -3.45 115.31 122.28 2k3u h LEU 90 Ca -0.39 -0.03 0.14 0.00 0.09 0.00 0.00 57.88 57.70 2k3u h LEU 90 Cb 1.20 -0.01 -0.02 0.00 0.09 0.00 0.00 40.66 41.91 2k3u h LEU 90 CO 0.77 0.76 0.55 0.61 0.09 0.00 0.00 178.44 181.23 2k3u n GLY 91 N 0.57 0.64 3.76 0.83 0.00 -1.23 -4.61 105.19 105.15 2k3u n GLY 91 Ca -0.01 -1.15 -0.34 0.00 0.00 0.00 0.00 46.02 44.52 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 -2.05 2.75 -1.05 1.61 2.47 -1.26 -4.55 119.74 117.65 2k3u s LYS 92 Ca 0.22 1.49 -0.10 0.00 -1.56 0.00 0.00 55.97 56.01 2k3u s LYS 92 Cb -0.03 -1.94 -0.07 0.00 -1.46 0.00 0.00 37.83 34.33 2k3u s LYS 92 CO 0.06 -1.31 2.23 -0.12 0.16 0.00 0.00 175.35 176.37 2k3u n MET 93 N -2.33 2.30 -0.14 4.03 0.00 -0.78 -2.29 117.12 117.92 2k3u n MET 93 Ca 0.11 -1.76 -0.05 0.00 0.00 0.00 0.00 57.70 56.00 2k3u n MET 93 Cb 0.51 -2.68 0.04 0.00 0.00 0.00 0.00 33.22 31.09 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 6.39 0.39 -3.26 1.12 3.20 -1.39 -3.05 116.97 120.38 2k3u h TYR 94 Ca 0.55 0.02 -0.13 0.00 3.14 0.00 0.00 58.73 62.31 2k3u h TYR 94 Cb 0.33 -0.11 -0.20 0.00 1.54 0.00 0.00 36.73 38.28 2k3u h TYR 94 CO 1.76 0.19 -0.37 0.15 -1.64 0.00 0.00 178.16 178.25 2k3u s LYS 95 N -6.14 0.60 0.02 1.82 -0.14 -0.82 -1.35 119.74 113.71 2k3u s LYS 95 Ca -0.13 -0.30 0.02 0.00 -1.36 0.00 0.00 55.97 54.19 2k3u s LYS 95 Cb 0.13 0.26 -0.01 0.00 -1.68 0.00 0.00 37.83 36.52 2k3u s LYS 95 CO 0.73 -0.16 -0.06 0.99 -0.76 0.00 0.00 175.35 176.09 2k3u s THR 96 N -1.43 0.41 0.05 2.17 2.01 0.18 -0.97 115.64 118.07 2k3u s THR 96 Ca -0.14 -0.58 0.05 0.00 0.31 0.00 0.00 61.69 61.34 2k3u s THR 96 Cb -0.06 -0.42 -0.03 0.00 0.01 0.00 0.00 72.50 72.01 2k3u s THR 96 CO 0.03 -0.12 -0.15 -0.31 -0.69 0.00 0.00 174.62 173.38 2k3u s TYR 97 N -0.67 1.31 0.02 4.92 1.51 -0.01 -1.41 117.35 123.02 2k3u s TYR 97 Ca -0.04 -0.39 0.00 0.00 -1.01 0.00 0.00 57.07 55.63 2k3u s TYR 97 Cb -0.05 -0.76 -0.02 0.00 -0.11 0.00 0.00 41.96 41.02 2k3u s TYR 97 CO -0.00 0.06 -0.03 -0.06 -1.11 0.00 0.00 175.55 174.41 2k3u s PHE 98 N -1.00 0.27 -0.02 2.71 0.40 0.07 -0.98 117.98 119.43 2k3u s PHE 98 Ca 0.01 -0.42 0.02 0.00 -0.60 0.00 0.00 56.93 55.94 2k3u s PHE 98 Cb -0.09 -0.19 0.00 0.00 0.51 0.00 0.00 43.02 43.26 2k3u s PHE 98 CO 0.02 -0.14 -0.05 -0.06 0.70 0.00 0.00 175.22 175.69 2k3u s PHE 99 N -1.15 0.58 0.83 0.36 0.40 -0.83 -2.59 117.98 115.58 2k3u s PHE 99 Ca -0.12 -0.12 -0.12 0.00 -0.60 0.00 0.00 56.93 55.98 2k3u s PHE 99 Cb -0.08 -0.43 0.09 0.00 0.51 0.00 0.00 43.02 43.11 2k3u s PHE 99 CO -0.01 -0.06 1.10 0.15 0.70 0.00 0.00 175.22 177.11 2k3u s LYS 100 N 0.17 1.80 0.00 0.44 3.01 -1.26 -1.03 119.74 122.87 2k3u s LYS 100 Ca -0.02 0.62 -0.17 0.00 -1.01 0.00 0.00 55.97 55.39 2k3u s LYS 100 Cb -0.06 -1.89 -0.21 0.00 -1.01 0.00 0.00 37.83 34.66 2k3u s LYS 100 CO -0.00 -1.82 1.17 1.63 0.51 0.00 0.00 175.35 176.84 2k3u n LYS 101 N -3.56 0.00 0.00 1.68 5.02 -0.33 -1.29 118.16 119.67 2k3u n LYS 101 Ca 0.07 -0.65 0.00 0.00 -2.02 0.00 0.00 58.31 55.71 2k3u n LYS 101 Cb 0.56 -2.03 0.00 0.00 -0.02 0.00 0.00 35.03 33.55 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 4.37 -0.72 3.87 0.72 0.00 -1.26 -5.09 105.19 107.08 2k3u n GLY 102 Ca 0.26 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 46.04 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 0.00 3.12 -0.02 1.61 2.02 -0.42 -5.03 118.70 119.99 2k3u s GLU 103 Ca 0.00 -0.83 0.12 0.00 0.02 0.00 0.00 54.97 54.28 2k3u s GLU 103 Cb 0.00 -2.74 0.21 0.00 0.10 0.00 0.00 34.13 31.69 2k3u s GLU 103 CO 0.00 0.46 1.09 0.43 0.02 0.00 0.00 175.26 177.26 2k3u n SER 104 N -0.78 0.61 -3.69 -0.19 7.64 -1.26 -4.83 113.62 111.12 2k3u n SER 104 Ca -0.08 -2.15 -0.13 0.00 1.01 0.00 0.00 58.87 57.52 2k3u n SER 104 Cb 0.56 -0.27 -0.13 0.00 -1.01 0.00 0.00 64.21 63.36 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 -0.32 0.19 0.80 1.43 2.20 -1.26 -5.17 119.74 117.62 2k3u s LYS 105 Ca 0.17 0.68 -0.13 0.00 -0.36 0.00 0.00 55.97 56.33 2k3u s LYS 105 Cb 0.19 -0.05 0.08 0.00 -1.51 0.00 0.00 37.83 36.53 2k3u s LYS 105 CO -0.07 -0.23 1.18 -1.54 -0.36 0.00 0.00 175.35 174.33 2k3u s SER 106 N 1.89 3.75 0.00 1.43 1.04 -1.26 -4.94 113.70 115.62 2k3u s SER 106 Ca -0.04 2.25 0.00 0.00 0.48 0.00 0.00 55.95 58.64 2k3u s SER 106 Cb -0.11 -2.58 0.00 0.00 0.10 0.00 0.00 66.02 63.43 2k3u s SER 106 CO -0.09 -2.55 0.15 -0.24 0.98 0.00 0.00 173.24 171.49 2k3u n SER 107 N -3.34 0.30 -4.07 7.02 2.88 -1.07 -5.00 113.62 110.34 2k3u n SER 107 Ca 0.12 -0.65 -0.19 0.00 -1.33 0.00 0.00 58.87 56.83 2k3u n SER 107 Cb 0.51 0.32 -0.14 0.00 -0.75 0.00 0.00 64.21 64.14 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 -0.32 0.99 0.04 0.66 5.04 -1.22 -5.05 117.35 117.49 2k3u s TYR 108 Ca 0.00 -0.24 -0.17 0.00 -2.44 0.00 0.00 57.07 54.22 2k3u s TYR 108 Cb 0.00 -0.62 0.03 0.00 0.35 0.00 0.00 41.96 41.72 2k3u s TYR 108 CO 0.00 -0.01 0.39 0.14 -1.34 0.00 0.00 175.55 174.73 2k3u s VAL 109 N -0.48 0.06 -0.11 3.14 -7.23 -1.26 -0.76 120.40 113.77 2k3u s VAL 109 Ca 0.02 -0.50 -0.06 0.00 -1.81 0.00 0.00 61.98 59.63 2k3u s VAL 109 Cb -0.05 -0.94 0.05 0.00 0.56 0.00 0.00 36.38 35.99 2k3u s VAL 109 CO 0.00 -0.28 0.27 -0.63 -0.31 0.00 0.00 175.10 174.15 2k3u s ILE 110 N -2.47 -0.04 0.38 -0.62 1.01 -0.50 -5.01 121.20 113.95 2k3u s ILE 110 Ca -0.05 0.14 0.07 0.00 0.00 0.00 0.00 60.65 60.81 2k3u s ILE 110 Cb -0.01 -0.41 -0.02 0.00 0.01 0.00 0.00 42.46 42.04 2k3u s ILE 110 CO -0.02 0.06 0.40 0.20 0.00 0.00 0.00 174.94 175.57 2k3u s ASN 111 N 1.23 5.40 0.05 3.58 0.01 -1.26 -0.64 114.94 123.30 2k3u s ASN 111 Ca -0.09 -0.51 -0.06 0.00 -0.71 0.00 0.00 52.86 51.49 2k3u s ASN 111 Cb -0.10 -0.83 0.02 0.00 0.41 0.00 0.00 41.25 40.75 2k3u s ASN 111 CO -0.09 -0.54 0.29 0.61 -1.51 0.00 0.00 177.10 175.87 2k3u n GLY 112 N -1.56 1.10 3.73 0.66 0.00 -0.46 -4.91 105.19 103.76 2k3u n GLY 112 Ca 0.02 -0.98 -0.42 0.00 0.00 0.00 0.00 46.02 44.64 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 -2.01 4.33 0.00 1.61 0.04 -1.23 -4.26 135.00 133.49 2k3u s PRO 113 Ca 0.06 2.14 0.00 0.00 0.04 0.00 0.00 61.00 63.25 2k3u s PRO 113 Cb -0.01 -3.18 0.00 0.00 0.04 0.00 0.00 34.50 31.35 2k3u s PRO 113 CO 0.02 -0.35 0.00 0.41 0.04 0.00 0.00 177.00 177.11 2k3u n GLY 114 N 2.60 0.39 4.84 0.56 0.00 -1.26 -1.86 105.19 110.46 2k3u n GLY 114 Ca 0.08 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.10 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 -4.76 118.16 115.02 2k3u n LYS 115 Ca 0.00 0.00 -0.09 0.00 -0.87 0.00 0.00 58.31 57.35 2k3u n LYS 115 Cb 0.00 -2.58 -0.02 0.00 0.02 0.00 0.00 35.03 32.45 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 0.00 0.00 -0.19 3.15 -1.32 -1.26 -5.04 115.64 110.99 2k3u s THR 116 Ca 0.00 -0.15 0.18 0.00 -1.21 0.00 0.00 61.69 60.51 2k3u s THR 116 Cb 0.00 -1.20 0.15 0.00 -1.51 0.00 0.00 72.50 69.94 2k3u s THR 116 CO 0.00 0.00 1.53 0.78 -2.21 0.00 0.00 174.62 174.72 2k3u h ASN 117 N 2.00 0.00 -3.17 8.08 -0.26 -1.86 -3.32 115.58 117.05 2k3u h ASN 117 Ca -0.25 0.00 -0.56 0.00 -0.56 0.00 0.00 56.30 54.93 2k3u h ASN 117 Cb 1.26 0.00 -0.06 0.00 -1.06 0.00 0.00 38.32 38.46 2k3u h ASN 117 CO 0.32 0.36 1.07 -1.61 -1.06 0.00 0.00 177.43 176.50 2k3u s GLU 118 N -3.10 3.49 0.00 0.81 2.02 -1.26 -0.72 118.70 119.94 2k3u s GLU 118 Ca 0.04 0.74 0.00 0.00 0.02 0.00 0.00 54.97 55.77 2k3u s GLU 118 Cb 0.07 -4.05 0.00 0.00 0.10 0.00 0.00 34.13 30.25 2k3u s GLU 118 CO 0.72 -1.68 0.00 2.48 0.02 0.00 0.00 175.26 176.79 2k3u n TYR 119 N 9.02 0.00 -1.86 1.61 4.11 -1.26 -4.77 117.16 124.01 2k3u n TYR 119 Ca 0.15 0.00 -0.22 0.00 -0.00 0.00 0.00 57.90 57.83 2k3u n TYR 119 Cb 0.49 0.00 -0.07 0.00 -0.00 0.00 0.00 39.34 39.76 2k3u n TYR 119 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.86 176.86 2k3u s ALA 120 N 0.00 1.25 0.00 -3.48 0.00 -1.26 -4.98 121.76 113.29 2k3u s ALA 120 Ca 0.00 -1.48 0.00 0.00 0.00 0.00 0.00 51.96 50.48 2k3u s ALA 120 Cb 0.00 -4.61 0.00 0.00 0.00 0.00 0.00 23.12 18.51 2k3u s ALA 120 CO 0.00 -5.55 0.06 0.98 0.00 0.00 0.00 175.76 171.25