#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2k3u h SER 32 N 0.00 0.49 -4.24 6.41 0.87 -2.15 -3.47 113.55 111.45 2k3u h SER 32 Ca 0.00 0.02 0.00 0.00 -1.23 0.00 0.00 61.79 60.58 2k3u h SER 32 Cb 0.00 -0.08 0.00 0.00 -0.44 0.00 0.00 62.40 61.88 2k3u h SER 32 CO 0.00 0.28 0.00 0.61 -0.53 0.00 0.00 176.83 177.19 2k3u n GLY 33 N -1.49 3.80 3.13 5.77 0.00 -1.26 -5.16 105.19 109.99 2k3u n GLY 33 Ca 0.13 -1.68 -0.10 0.00 0.00 0.00 0.00 46.02 44.37 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 1.67 0.25 0.99 1.43 -1.26 -5.15 118.68 116.60 2k3u s LEU 34 Ca 0.00 -0.48 -0.30 0.00 -1.03 0.00 0.00 54.13 52.33 2k3u s LEU 34 Cb 0.00 0.71 -0.09 0.00 0.03 0.00 0.00 46.19 46.84 2k3u s LEU 34 CO 0.00 -0.52 1.17 -2.16 0.23 0.00 0.00 176.35 175.07 2k3u s PRO 35 N -2.58 4.53 0.00 1.29 0.04 -1.26 -4.91 135.00 132.11 2k3u s PRO 35 Ca -0.05 1.90 0.00 0.00 0.04 0.00 0.00 61.00 62.89 2k3u s PRO 35 Cb -0.01 -3.19 0.00 0.00 0.04 0.00 0.00 34.50 31.33 2k3u s PRO 35 CO -0.04 0.02 0.60 -2.37 0.04 0.00 0.00 177.00 175.25 2k3u n THR 36 N 1.71 0.27 -4.53 1.26 5.66 -1.26 -5.02 114.28 112.38 2k3u n THR 36 Ca 0.01 -0.29 -0.21 0.00 -3.05 0.00 0.00 64.05 60.52 2k3u n THR 36 Cb 0.44 0.93 -0.15 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 -0.27 0.95 0.31 1.09 -4.23 -1.26 -1.22 115.64 111.00 2k3u s THR 37 Ca 0.00 -0.51 0.04 0.00 -1.18 0.00 0.00 61.69 60.03 2k3u s THR 37 Cb 0.00 -0.79 0.30 0.00 1.34 0.00 0.00 72.50 73.35 2k3u s THR 37 CO 0.00 0.27 1.85 0.25 -0.54 0.00 0.00 174.62 176.45 2k3u h LEU 38 N 5.84 0.84 -1.72 4.79 6.46 -1.30 -2.74 115.31 127.48 2k3u h LEU 38 Ca -0.33 0.04 0.12 0.00 -0.12 0.00 0.00 57.88 57.59 2k3u h LEU 38 Cb 1.17 -0.13 -0.03 0.00 -0.73 0.00 0.00 40.66 40.94 2k3u h LEU 38 CO 0.49 0.45 0.40 1.23 -0.62 0.00 0.00 178.44 180.39 2k3u h GLY 39 N 0.90 0.46 2.00 3.75 0.00 -1.08 0.11 103.07 109.20 2k3u h GLY 39 Ca 0.47 -0.13 -0.18 0.00 0.00 0.00 0.00 47.33 47.49 2k3u h GLY 39 CO -0.24 0.07 -0.86 0.50 0.00 0.00 0.00 176.54 176.01 2k3u h LYS 40 N 0.31 0.00 0.03 4.80 1.57 -1.73 -3.09 116.57 118.46 2k3u h LYS 40 Ca 0.28 -0.00 -0.14 0.00 -1.87 0.00 0.00 60.65 58.91 2k3u h LYS 40 Cb 0.68 0.00 0.01 0.00 0.08 0.00 0.00 32.23 33.00 2k3u h LYS 40 CO -0.07 0.86 -0.58 1.25 -0.57 0.00 0.00 179.45 180.35 2k3u h LEU 41 N 0.00 0.46 -0.73 2.94 5.85 -1.24 -3.33 115.31 119.27 2k3u h LEU 41 Ca -0.01 -0.81 0.13 0.00 0.84 0.00 0.00 57.88 58.03 2k3u h LEU 41 Cb 1.52 -0.14 -0.09 0.00 0.37 0.00 0.00 40.66 42.32 2k3u h LEU 41 CO 0.11 1.21 0.30 -0.78 -0.34 0.00 0.00 178.44 178.94 2k3u h ASP 42 N -0.24 0.30 -0.92 1.25 1.82 -0.95 -1.17 116.42 116.51 2k3u h ASP 42 Ca -0.08 0.10 0.12 0.00 -0.39 0.00 0.00 57.03 56.77 2k3u h ASP 42 Cb 1.33 0.07 -0.07 0.00 0.68 0.00 0.00 39.33 41.33 2k3u h ASP 42 CO 0.11 0.13 0.59 -0.08 -1.61 0.00 0.00 179.24 178.38 2k3u h GLU 43 N 0.46 0.83 -0.02 0.28 4.81 -1.65 0.17 114.58 119.46 2k3u h GLU 43 Ca 0.39 -0.05 -0.03 0.00 -0.13 0.00 0.00 59.36 59.54 2k3u h GLU 43 Cb 0.55 -0.19 0.00 0.00 0.63 0.00 0.00 28.75 29.75 2k3u h GLU 43 CO -0.37 0.55 -0.11 -0.09 -0.73 0.00 0.00 179.01 178.26 2k3u h ARG 44 N 0.85 0.11 -0.79 1.92 2.43 -1.36 -3.18 114.38 114.37 2k3u h ARG 44 Ca 0.44 -0.09 -0.05 0.00 -0.81 0.00 0.00 59.98 59.48 2k3u h ARG 44 Cb 0.53 0.02 -0.03 0.00 -0.42 0.00 0.00 29.97 30.06 2k3u h ARG 44 CO -0.21 0.75 0.31 -0.07 -1.51 0.00 0.00 179.97 179.24 2k3u h LEU 45 N -0.50 1.09 -0.86 3.80 3.38 -0.42 0.16 115.31 121.97 2k3u h LEU 45 Ca -0.01 -0.18 -0.10 0.00 0.09 0.00 0.00 57.88 57.68 2k3u h LEU 45 Cb 0.77 -0.28 -0.01 0.00 0.09 0.00 0.00 40.66 41.22 2k3u h LEU 45 CO 0.02 0.97 -0.26 -0.09 0.09 0.00 0.00 178.44 179.18 2k3u h ARG 46 N 1.15 0.55 -0.28 1.13 2.43 -0.85 -2.41 114.38 116.11 2k3u h ARG 46 Ca 0.26 -0.22 -0.15 0.00 -0.81 0.00 0.00 59.98 59.06 2k3u h ARG 46 Cb 0.22 -0.03 -0.00 0.00 -0.42 0.00 0.00 29.97 29.74 2k3u h ARG 46 CO -0.02 0.76 -0.41 -0.91 -1.51 0.00 0.00 179.97 177.88 2k3u h ASN 47 N 0.49 0.85 -0.77 -3.80 2.35 -1.46 -3.31 115.58 109.92 2k3u h ASN 47 Ca 0.07 -0.51 0.15 0.00 -0.55 0.00 0.00 56.30 55.46 2k3u h ASN 47 Cb 0.70 -0.24 -0.05 0.00 0.05 0.00 0.00 38.32 38.78 2k3u h ASN 47 CO 0.05 1.19 0.51 1.88 -1.65 0.00 0.00 177.43 179.42 2k3u h TYR 48 N 0.53 0.49 -0.23 1.19 0.05 -0.21 -0.02 116.97 118.78 2k3u h TYR 48 Ca 0.03 0.01 -0.05 0.00 0.05 0.00 0.00 58.73 58.77 2k3u h TYR 48 Cb 1.01 -0.16 -0.01 0.00 1.01 0.00 0.00 36.73 38.59 2k3u h TYR 48 CO 0.08 0.18 -0.05 1.25 -1.05 0.00 0.00 178.16 178.57 2k3u h LEU 49 N 0.42 0.44 -0.09 3.88 6.46 -1.55 -0.32 115.31 124.56 2k3u h LEU 49 Ca 0.38 -0.36 -0.01 0.00 -0.12 0.00 0.00 57.88 57.76 2k3u h LEU 49 Cb 0.88 -0.12 -0.00 0.00 -0.73 0.00 0.00 40.66 40.69 2k3u h LEU 49 CO -0.12 0.70 -0.00 0.11 -0.62 0.00 0.00 178.44 178.51 2k3u h LYS 50 N 0.18 0.16 0.00 1.25 1.57 -1.50 -2.64 116.57 115.58 2k3u h LYS 50 Ca 0.06 -0.05 -0.00 0.00 -1.87 0.00 0.00 60.65 58.78 2k3u h LYS 50 Cb 0.51 -0.01 -0.00 0.00 0.08 0.00 0.00 32.23 32.80 2k3u h LYS 50 CO 0.02 0.42 -0.02 -0.22 -0.57 0.00 0.00 179.45 179.09 2k3u h LYS 51 N -0.13 0.00 0.00 3.15 3.64 -1.06 -3.34 116.57 118.82 2k3u h LYS 51 Ca 0.02 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.40 2k3u h LYS 51 Cb 0.35 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.17 2k3u h LYS 51 CO 0.00 0.02 -0.40 0.41 -2.27 0.00 0.00 179.45 177.21 2k3u n GLY 52 N -0.11 0.58 3.97 5.01 0.00 -0.13 -5.04 105.19 109.46 2k3u n GLY 52 Ca 0.00 -0.02 -0.19 0.00 0.00 0.00 0.00 46.02 45.81 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 -1.43 3.28 0.12 2.61 -4.23 -1.00 -5.04 115.64 109.95 2k3u s THR 53 Ca 0.00 -1.09 -0.09 0.00 -1.18 0.00 0.00 61.69 59.33 2k3u s THR 53 Cb 0.01 -3.13 -0.17 0.00 1.34 0.00 0.00 72.50 70.54 2k3u s THR 53 CO 0.04 -0.06 1.30 0.11 -0.54 0.00 0.00 174.62 175.47 2k3u h LYS 54 N 0.83 0.59 -1.91 3.99 1.57 -1.89 -3.44 116.57 116.32 2k3u h LYS 54 Ca -0.42 -0.56 -0.28 0.00 -1.87 0.00 0.00 60.65 57.51 2k3u h LYS 54 Cb 1.27 0.14 -0.31 0.00 0.08 0.00 0.00 32.23 33.42 2k3u h LYS 54 CO 0.50 1.18 -0.61 0.54 -0.57 0.00 0.00 179.45 180.50 2k3u s ASN 55 N -7.13 1.00 0.59 0.86 4.22 -1.26 -5.03 114.94 108.20 2k3u s ASN 55 Ca -0.08 -0.85 0.33 0.00 -2.14 0.00 0.00 52.86 50.12 2k3u s ASN 55 Cb 0.09 0.77 1.87 0.00 1.28 0.00 0.00 41.25 45.26 2k3u s ASN 55 CO 0.89 -0.34 2.23 -1.28 -2.04 0.00 0.00 177.10 176.56 2k3u h SER 56 N 7.87 0.00 -0.00 3.54 0.87 -1.84 -3.33 113.55 120.66 2k3u h SER 56 Ca -0.06 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.50 2k3u h SER 56 Cb 1.09 0.00 -0.00 0.00 -0.44 0.00 0.00 62.40 63.05 2k3u h SER 56 CO 0.27 0.03 0.11 0.00 -0.53 0.00 0.00 176.83 176.71 2k3u h ALA 57 N 1.97 1.11 0.00 6.23 0.00 -1.95 -1.39 119.26 125.24 2k3u h ALA 57 Ca -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 2k3u h ALA 57 Cb 0.10 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.89 2k3u h ALA 57 CO 0.00 -0.11 -0.09 -0.56 0.00 0.00 0.00 179.25 178.49 2k3u h GLN 58 N 0.00 0.00 -7.19 0.00 3.07 -1.99 -3.47 115.11 105.53 2k3u h GLN 58 Ca 0.00 0.00 -0.48 0.00 0.09 0.00 0.00 58.65 58.26 2k3u h GLN 58 Cb 0.22 0.00 0.03 0.00 0.08 0.00 0.00 27.48 27.80 2k3u h GLN 58 CO -0.00 0.00 0.38 -0.06 0.09 0.00 0.00 178.83 179.24 2k3u s PHE 59 N -3.17 3.33 0.00 0.06 0.40 -0.52 -0.79 117.98 117.28 2k3u s PHE 59 Ca 0.08 1.48 0.00 0.00 -0.60 0.00 0.00 56.93 57.89 2k3u s PHE 59 Cb 0.09 -2.85 0.00 0.00 0.51 0.00 0.00 43.02 40.76 2k3u s PHE 59 CO 0.65 -0.55 0.00 -1.91 0.70 0.00 0.00 175.22 174.11 2k3u n GLU 60 N -1.65 0.09 -3.96 0.44 2.13 -0.24 -4.66 120.64 112.79 2k3u n GLU 60 Ca 0.07 0.00 -0.11 0.00 0.66 0.00 0.00 57.16 57.79 2k3u n GLU 60 Cb 0.54 -0.51 -0.02 0.00 0.27 0.00 0.00 31.44 31.71 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 -1.02 1.87 0.04 5.31 -2.85 -1.19 -0.61 119.74 121.29 2k3u s LYS 61 Ca 0.00 -1.43 -0.06 0.00 -1.00 0.00 0.00 55.97 53.48 2k3u s LYS 61 Cb 0.00 0.52 -0.01 0.00 -2.06 0.00 0.00 37.83 36.28 2k3u s LYS 61 CO 0.00 -0.82 0.10 0.00 0.10 0.00 0.00 175.35 174.73 2k3u s MET 62 N -3.25 0.59 -0.01 1.78 0.23 -0.11 -1.59 119.30 116.94 2k3u s MET 62 Ca 0.22 -0.74 0.01 0.00 -1.03 0.00 0.00 55.69 54.14 2k3u s MET 62 Cb -0.02 0.23 0.01 0.00 -1.53 0.00 0.00 34.83 33.51 2k3u s MET 62 CO 0.13 -0.15 -0.02 0.08 -2.03 0.00 0.00 175.02 173.03 2k3u s VAL 63 N -2.58 0.22 -0.06 5.16 1.01 0.13 -1.29 120.40 122.99 2k3u s VAL 63 Ca -0.05 -0.07 0.05 0.00 0.00 0.00 0.00 61.98 61.91 2k3u s VAL 63 Cb -0.01 -0.22 -0.01 0.00 0.00 0.00 0.00 36.38 36.14 2k3u s VAL 63 CO -0.04 0.09 -0.22 -0.63 0.00 0.00 0.00 175.10 174.29 2k3u s ILE 64 N 0.22 1.83 -0.07 2.22 1.01 0.10 -0.51 121.20 126.00 2k3u s ILE 64 Ca -0.02 -0.93 0.05 0.00 0.00 0.00 0.00 60.65 59.74 2k3u s ILE 64 Cb -0.05 -1.56 -0.00 0.00 0.01 0.00 0.00 42.46 40.86 2k3u s ILE 64 CO -0.01 0.51 -0.22 -0.76 0.00 0.00 0.00 174.94 174.47 2k3u s LEU 65 N -0.02 2.01 0.42 2.97 1.43 -0.26 -1.70 118.68 123.53 2k3u s LEU 65 Ca -0.06 -0.48 0.04 0.00 -1.03 0.00 0.00 54.13 52.60 2k3u s LEU 65 Cb -0.14 -1.27 -0.04 0.00 0.03 0.00 0.00 46.19 44.78 2k3u s LEU 65 CO 0.04 0.18 0.05 0.42 0.23 0.00 0.00 176.35 177.26 2k3u s THR 66 N 0.13 1.22 1.06 5.49 -4.23 -0.84 -1.77 115.64 116.71 2k3u s THR 66 Ca -0.10 -2.00 -0.15 0.00 -1.18 0.00 0.00 61.69 58.26 2k3u s THR 66 Cb -0.15 -2.54 0.13 0.00 1.34 0.00 0.00 72.50 71.28 2k3u s THR 66 CO 0.05 0.00 0.45 -0.62 -0.54 0.00 0.00 174.62 173.97 2k3u n GLU 67 N -0.99 -1.26 -2.46 3.99 1.02 -0.77 -3.63 120.64 116.54 2k3u n GLU 67 Ca -0.09 -0.34 -0.17 0.00 -0.02 0.00 0.00 57.16 56.54 2k3u n GLU 67 Cb 0.66 -1.92 -0.01 0.00 -0.02 0.00 0.00 31.44 30.16 2k3u n GLU 67 CO 0.00 0.00 0.00 0.09 1.18 0.00 0.00 177.13 178.40 2k3u n ASN 68 N -2.52 -5.04 -0.07 1.62 3.02 -1.01 -3.26 115.26 107.99 2k3u n ASN 68 Ca 0.04 0.05 -0.01 0.00 -0.03 0.00 0.00 54.58 54.64 2k3u n ASN 68 Cb 0.57 -4.22 -0.00 0.00 -0.61 0.00 0.00 39.78 35.51 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 -2.98 -1.49 -1.96 3.52 5.02 -0.66 -4.90 118.16 114.71 2k3u n LYS 69 Ca -0.20 0.42 -0.37 0.00 -2.02 0.00 0.00 58.31 56.14 2k3u n LYS 69 Cb 0.65 -4.56 0.03 0.00 -0.02 0.00 0.00 35.03 31.13 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 -2.05 2.82 -0.02 0.72 0.00 -1.20 -4.87 107.32 102.72 2k3u s GLY 70 Ca 0.00 1.15 0.00 0.00 0.00 0.00 0.00 44.72 45.87 2k3u s GLY 70 CO 0.00 1.61 0.00 -0.47 0.00 0.00 0.00 173.10 174.25 2k3u s TYR 71 N -1.44 0.23 -0.00 1.90 6.14 -1.26 -1.98 117.35 120.94 2k3u s TYR 71 Ca 0.72 0.02 -0.02 0.00 0.64 0.00 0.00 57.07 58.43 2k3u s TYR 71 Cb -0.35 -0.33 -0.00 0.00 0.42 0.00 0.00 41.96 41.70 2k3u s TYR 71 CO 0.40 -0.10 0.04 0.71 0.64 0.00 0.00 175.55 177.24 2k3u s TYR 72 N 0.88 0.05 -0.04 4.97 1.51 -0.69 -4.99 117.35 119.04 2k3u s TYR 72 Ca -0.08 -0.09 0.02 0.00 -1.01 0.00 0.00 57.07 55.91 2k3u s TYR 72 Cb -0.12 -0.05 0.01 0.00 -0.11 0.00 0.00 41.96 41.69 2k3u s TYR 72 CO -0.02 -0.10 -0.09 -0.08 -1.11 0.00 0.00 175.55 174.15 2k3u s THR 73 N -0.56 0.85 -0.05 -0.71 -1.32 -1.26 -0.72 115.64 111.87 2k3u s THR 73 Ca -0.06 -0.35 -0.04 0.00 -1.21 0.00 0.00 61.69 60.03 2k3u s THR 73 Cb -0.04 -0.78 0.02 0.00 -1.51 0.00 0.00 72.50 70.19 2k3u s THR 73 CO -0.00 0.28 0.11 -0.69 -2.21 0.00 0.00 174.62 172.11 2k3u s VAL 74 N 0.46 -0.01 0.39 5.08 1.01 -0.41 -5.02 120.40 121.90 2k3u s VAL 74 Ca -0.08 0.04 -0.08 0.00 0.00 0.00 0.00 61.98 61.86 2k3u s VAL 74 Cb -0.12 -0.17 -0.05 0.00 0.00 0.00 0.00 36.38 36.03 2k3u s VAL 74 CO 0.01 0.02 0.72 -0.31 0.00 0.00 0.00 175.10 175.54 2k3u s TYR 75 N 0.30 3.49 -0.90 5.22 2.02 -1.26 -0.93 117.35 125.29 2k3u s TYR 75 Ca -0.02 0.89 0.08 0.00 -0.37 0.00 0.00 57.07 57.65 2k3u s TYR 75 Cb -0.03 -2.33 0.04 0.00 -0.40 0.00 0.00 41.96 39.24 2k3u s TYR 75 CO -0.01 -0.08 0.68 1.28 -1.57 0.00 0.00 175.55 175.85 2k3u n LEU 76 N -1.43 1.44 -0.14 -1.29 4.77 0.22 -4.49 117.00 116.08 2k3u n LEU 76 Ca 0.01 -0.91 0.10 0.00 -0.03 0.00 0.00 56.01 55.17 2k3u n LEU 76 Cb 0.54 0.00 0.43 0.00 -2.33 0.00 0.00 43.42 42.06 2k3u n LEU 76 CO 0.49 0.29 1.20 0.78 -1.33 0.00 0.00 177.39 178.82 2k3u h ASN 77 N 1.31 0.51 -5.32 -1.43 2.35 -1.87 -3.45 115.58 107.68 2k3u h ASN 77 Ca 0.00 0.01 -0.13 0.00 -0.55 0.00 0.00 56.30 55.63 2k3u h ASN 77 Cb 0.31 -0.10 -0.13 0.00 0.05 0.00 0.00 38.32 38.45 2k3u h ASN 77 CO 0.00 0.31 -0.43 0.42 -1.65 0.00 0.00 177.43 176.08 2k3u s THR 78 N -5.53 0.08 0.28 2.81 -4.23 -1.26 -5.14 115.64 102.65 2k3u s THR 78 Ca -0.09 -1.58 -0.30 0.00 -1.18 0.00 0.00 61.69 58.54 2k3u s THR 78 Cb 0.20 -1.93 -0.12 0.00 1.34 0.00 0.00 72.50 71.99 2k3u s THR 78 CO 0.76 -0.34 1.56 -2.65 -0.54 0.00 0.00 174.62 173.42 2k3u n PRO 79 N -0.18 2.59 -1.04 3.99 -0.02 -1.26 -4.83 135.00 134.25 2k3u n PRO 79 Ca -0.06 0.92 -0.33 0.00 -2.02 0.00 0.00 63.50 62.00 2k3u n PRO 79 Cb 0.63 -2.68 0.13 0.00 -0.02 0.00 0.00 33.50 31.56 2k3u n PRO 79 CO 0.00 0.00 0.00 1.47 1.98 0.00 0.00 175.50 178.95 2k3u n LEU 80 N 2.18 3.77 -4.76 2.45 -0.00 -1.26 -4.97 117.00 114.41 2k3u n LEU 80 Ca 0.09 0.55 -0.39 0.00 -0.00 0.00 0.00 56.01 56.26 2k3u n LEU 80 Cb 0.36 -1.47 0.03 0.00 -0.00 0.00 0.00 43.42 42.34 2k3u n LEU 80 CO 0.64 -1.97 1.02 0.00 -0.00 0.00 0.00 177.39 177.08 2k3u s ALA 81 N -2.20 3.00 0.52 1.47 0.00 -1.26 -4.84 121.76 118.45 2k3u s ALA 81 Ca 0.71 1.40 0.17 0.00 0.00 0.00 0.00 51.96 54.24 2k3u s ALA 81 Cb -0.28 -3.58 1.28 0.00 0.00 0.00 0.00 23.12 20.54 2k3u s ALA 81 CO 0.53 -1.31 2.12 0.93 0.00 0.00 0.00 175.76 178.03 2k3u h GLU 82 N 1.82 0.02 0.00 0.00 4.39 -1.99 -0.42 114.58 118.39 2k3u h GLU 82 Ca -0.51 -0.00 -0.01 0.00 0.34 0.00 0.00 59.36 59.18 2k3u h GLU 82 Cb 1.29 -0.00 -0.00 0.00 -0.10 0.00 0.00 28.75 29.93 2k3u h GLU 82 CO 0.59 0.01 -0.07 -0.44 -1.16 0.00 0.00 179.01 177.94 2k3u h ASP 83 N 0.02 0.00 0.15 1.42 3.32 -1.99 -2.18 116.42 117.17 2k3u h ASP 83 Ca 0.05 0.00 -0.32 0.00 0.02 0.00 0.00 57.03 56.78 2k3u h ASP 83 Cb 0.19 0.00 -0.06 0.00 0.22 0.00 0.00 39.33 39.68 2k3u h ASP 83 CO -0.00 0.07 -2.16 0.54 -1.72 0.00 0.00 179.24 175.97 2k3u n ARG 84 N -3.32 0.67 -0.24 3.56 1.74 -0.31 -4.20 116.66 114.57 2k3u n ARG 84 Ca -0.01 0.07 -0.05 0.00 -0.77 0.00 0.00 57.85 57.08 2k3u n ARG 84 Cb 0.25 -1.60 0.05 0.00 -1.02 0.00 0.00 32.46 30.14 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 0.86 -0.01 5.56 1.57 -0.78 -2.96 116.57 120.81 2k3u h LYS 85 Ca -0.44 -0.05 0.00 0.00 -1.87 0.00 0.00 60.65 58.29 2k3u h LYS 85 Cb 2.10 -0.19 0.00 0.00 0.08 0.00 0.00 32.23 34.21 2k3u h LYS 85 CO 0.04 0.57 0.00 0.09 -0.57 0.00 0.00 179.45 179.58 2k3u n ASN 86 N -4.63 0.11 -4.81 0.86 3.02 -0.86 -0.68 115.26 108.27 2k3u n ASN 86 Ca 0.06 -1.35 -0.35 0.00 -0.03 0.00 0.00 54.58 52.90 2k3u n ASN 86 Cb 0.03 -0.01 -0.06 0.00 -0.61 0.00 0.00 39.78 39.13 2k3u n ASN 86 CO 0.00 0.00 0.00 0.54 -2.62 0.00 0.00 177.26 175.18 2k3u s VAL 87 N -1.99 4.47 0.56 2.41 0.11 -1.12 -4.88 120.40 119.97 2k3u s VAL 87 Ca 0.32 1.40 -0.19 0.00 -2.93 0.00 0.00 61.98 60.58 2k3u s VAL 87 Cb 0.15 -3.83 -0.05 0.00 -1.53 0.00 0.00 36.38 31.11 2k3u s VAL 87 CO 0.25 0.08 1.17 -1.61 -3.33 0.00 0.00 175.10 171.65 2k3u s GLU 88 N -2.27 3.23 -0.29 1.54 2.02 -1.26 -1.89 118.70 119.78 2k3u s GLU 88 Ca 0.48 1.71 -0.09 0.00 0.02 0.00 0.00 54.97 57.10 2k3u s GLU 88 Cb -0.15 -2.00 -0.01 0.00 0.10 0.00 0.00 34.13 32.06 2k3u s GLU 88 CO 0.20 -0.97 0.12 -0.51 0.02 0.00 0.00 175.26 174.12 2k3u s LEU 89 N -3.85 3.88 0.59 1.80 1.43 -0.36 -4.79 118.68 117.38 2k3u s LEU 89 Ca 0.74 -0.45 0.30 0.00 -1.03 0.00 0.00 54.13 53.69 2k3u s LEU 89 Cb -0.27 -1.96 1.83 0.00 0.03 0.00 0.00 46.19 45.82 2k3u s LEU 89 CO 0.30 -0.15 2.26 -0.07 0.23 0.00 0.00 176.35 178.92 2k3u h LEU 90 N 8.30 0.00 -7.95 1.79 3.38 -1.90 -3.47 115.31 115.46 2k3u h LEU 90 Ca -0.34 0.00 0.31 0.00 0.09 0.00 0.00 57.88 57.94 2k3u h LEU 90 Cb 1.15 0.00 -0.06 0.00 0.09 0.00 0.00 40.66 41.84 2k3u h LEU 90 CO 0.60 0.00 0.84 -0.83 0.09 0.00 0.00 178.44 179.14 2k3u s GLY 91 N -4.11 -0.08 0.74 0.83 0.00 -1.25 -4.61 107.32 98.85 2k3u s GLY 91 Ca -0.05 -0.03 -0.14 0.00 0.00 0.00 0.00 44.72 44.50 2k3u s GLY 91 CO 0.55 4.98 1.15 1.25 0.00 0.00 0.00 173.10 181.02 2k3u s LYS 92 N -2.05 2.20 -0.86 2.90 2.47 -1.26 -4.49 119.74 118.65 2k3u s LYS 92 Ca 0.28 1.52 -0.23 0.00 -1.56 0.00 0.00 55.97 55.98 2k3u s LYS 92 Cb -0.01 -1.86 -0.15 0.00 -1.46 0.00 0.00 37.83 34.34 2k3u s LYS 92 CO 0.00 -1.74 1.91 -0.12 0.16 0.00 0.00 175.35 175.56 2k3u n MET 93 N -2.97 1.40 0.16 4.03 0.00 -0.68 -1.85 117.12 117.21 2k3u n MET 93 Ca 0.12 -1.99 -0.14 0.00 0.00 0.00 0.00 57.70 55.69 2k3u n MET 93 Cb 0.51 -3.17 -0.07 0.00 0.00 0.00 0.00 33.22 30.49 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 8.71 -0.97 -3.55 1.12 3.20 -1.40 -2.78 116.97 121.30 2k3u h TYR 94 Ca 0.34 0.02 -0.06 0.00 3.14 0.00 0.00 58.73 62.16 2k3u h TYR 94 Cb 0.77 0.40 -0.13 0.00 1.54 0.00 0.00 36.73 39.31 2k3u h TYR 94 CO 1.21 -0.48 -0.16 0.15 -1.64 0.00 0.00 178.16 177.24 2k3u s LYS 95 N -5.98 1.09 0.01 1.82 1.02 -0.73 -2.21 119.74 114.76 2k3u s LYS 95 Ca -0.16 -0.86 0.01 0.00 0.02 0.00 0.00 55.97 54.97 2k3u s LYS 95 Cb 0.07 0.44 -0.01 0.00 -0.52 0.00 0.00 37.83 37.81 2k3u s LYS 95 CO 0.64 -0.42 -0.03 0.99 -0.92 0.00 0.00 175.35 175.61 2k3u s THR 96 N -3.85 0.18 -0.02 2.17 2.01 0.05 -1.10 115.64 115.07 2k3u s THR 96 Ca 0.07 -0.49 0.05 0.00 0.31 0.00 0.00 61.69 61.63 2k3u s THR 96 Cb 0.02 -0.23 -0.01 0.00 0.01 0.00 0.00 72.50 72.29 2k3u s THR 96 CO -0.08 -0.20 -0.18 -0.31 -0.69 0.00 0.00 174.62 173.15 2k3u s TYR 97 N -0.70 1.69 0.02 4.92 1.51 0.33 -1.33 117.35 123.79 2k3u s TYR 97 Ca -0.06 -0.37 0.05 0.00 -1.01 0.00 0.00 57.07 55.67 2k3u s TYR 97 Cb -0.05 -1.11 -0.02 0.00 -0.11 0.00 0.00 41.96 40.68 2k3u s TYR 97 CO -0.00 -0.07 -0.14 -0.06 -1.11 0.00 0.00 175.55 174.16 2k3u s PHE 98 N -0.29 1.26 -0.08 2.71 0.40 0.08 -0.70 117.98 121.37 2k3u s PHE 98 Ca 0.04 -0.30 0.02 0.00 -0.60 0.00 0.00 56.93 56.08 2k3u s PHE 98 Cb -0.09 -0.77 0.02 0.00 0.51 0.00 0.00 43.02 42.69 2k3u s PHE 98 CO 0.00 0.02 -0.11 -0.06 0.70 0.00 0.00 175.22 175.77 2k3u s PHE 99 N -0.63 1.46 0.83 0.36 0.40 -0.62 -1.67 117.98 118.11 2k3u s PHE 99 Ca 0.03 -0.58 -0.11 0.00 -0.60 0.00 0.00 56.93 55.67 2k3u s PHE 99 Cb -0.07 -1.10 0.09 0.00 0.51 0.00 0.00 43.02 42.45 2k3u s PHE 99 CO 0.01 -0.33 1.10 0.15 0.70 0.00 0.00 175.22 176.84 2k3u s LYS 100 N 0.90 1.75 -0.07 0.44 1.02 -1.26 -1.08 119.74 121.43 2k3u s LYS 100 Ca -0.10 1.16 -0.36 0.00 0.02 0.00 0.00 55.97 56.69 2k3u s LYS 100 Cb -0.15 -1.84 -0.14 0.00 -0.52 0.00 0.00 37.83 35.18 2k3u s LYS 100 CO 0.01 -2.00 1.69 0.36 -0.92 0.00 0.00 175.35 174.49 2k3u n LYS 101 N -3.76 1.68 -0.62 1.68 2.85 0.03 -1.93 118.16 118.08 2k3u n LYS 101 Ca 0.09 0.61 0.00 0.00 -1.05 0.00 0.00 58.31 57.96 2k3u n LYS 101 Cb 0.53 -2.36 0.00 0.00 -0.65 0.00 0.00 35.03 32.55 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 3.85 1.17 3.92 2.58 0.00 -1.26 -5.03 105.19 110.41 2k3u n GLY 102 Ca 0.22 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.97 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 -0.18 2.82 0.00 1.61 2.02 -0.81 -5.04 118.70 119.10 2k3u s GLU 103 Ca 0.00 -0.00 0.00 0.00 0.02 0.00 0.00 54.97 54.99 2k3u s GLU 103 Cb 0.00 -2.24 0.00 0.00 0.10 0.00 0.00 34.13 31.99 2k3u s GLU 103 CO 0.00 -0.80 0.17 -1.13 0.02 0.00 0.00 175.26 173.52 2k3u n SER 104 N -2.66 0.22 -4.08 -0.19 3.41 -1.26 -4.84 113.62 104.22 2k3u n SER 104 Ca 0.05 -1.03 -0.25 0.00 -0.26 0.00 0.00 58.87 57.38 2k3u n SER 104 Cb 0.58 0.00 -0.16 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 -0.03 1.72 0.73 4.33 2.20 -1.26 -5.14 119.74 122.30 2k3u s LYS 105 Ca 0.00 -0.51 -0.14 0.00 -0.36 0.00 0.00 55.97 54.96 2k3u s LYS 105 Cb 0.00 -1.45 0.04 0.00 -1.51 0.00 0.00 37.83 34.91 2k3u s LYS 105 CO 0.00 0.14 1.18 -1.54 -0.36 0.00 0.00 175.35 174.77 2k3u s SER 106 N 0.33 4.26 0.00 1.43 1.04 -1.26 -4.83 113.70 114.66 2k3u s SER 106 Ca -0.09 2.26 0.00 0.00 0.48 0.00 0.00 55.95 58.60 2k3u s SER 106 Cb -0.13 -2.58 0.00 0.00 0.10 0.00 0.00 66.02 63.41 2k3u s SER 106 CO 0.03 -2.21 0.00 -0.24 0.98 0.00 0.00 173.24 171.80 2k3u n SER 107 N -2.81 2.76 -3.90 7.02 2.88 -0.67 -4.98 113.62 113.91 2k3u n SER 107 Ca 0.13 -0.13 -0.18 0.00 -1.33 0.00 0.00 58.87 57.35 2k3u n SER 107 Cb 0.51 0.82 -0.16 0.00 -0.75 0.00 0.00 64.21 64.63 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 -1.37 0.60 0.10 0.66 5.04 -1.21 -5.04 117.35 116.12 2k3u s TYR 108 Ca 0.00 -0.13 -0.00 0.00 -2.44 0.00 0.00 57.07 54.49 2k3u s TYR 108 Cb 0.00 -0.52 -0.04 0.00 0.35 0.00 0.00 41.96 41.75 2k3u s TYR 108 CO 0.00 -0.12 0.00 0.14 -1.34 0.00 0.00 175.55 174.23 2k3u s VAL 109 N 0.61 0.28 -0.10 3.14 -7.23 -1.26 -0.74 120.40 115.10 2k3u s VAL 109 Ca -0.08 -1.88 -0.12 0.00 -1.81 0.00 0.00 61.98 58.10 2k3u s VAL 109 Cb -0.11 -1.80 0.03 0.00 0.56 0.00 0.00 36.38 35.07 2k3u s VAL 109 CO -0.00 -0.73 0.32 -0.63 -0.31 0.00 0.00 175.10 173.74 2k3u s ILE 110 N -3.90 0.01 0.08 -0.62 1.01 -0.44 -5.01 121.20 112.32 2k3u s ILE 110 Ca 0.16 -0.09 0.07 0.00 0.00 0.00 0.00 60.65 60.79 2k3u s ILE 110 Cb 0.07 -0.48 -0.04 0.00 0.01 0.00 0.00 42.46 42.02 2k3u s ILE 110 CO -0.04 -0.05 -0.12 0.20 0.00 0.00 0.00 174.94 174.94 2k3u s ASN 111 N -0.09 4.25 0.09 3.58 0.01 -1.26 -0.77 114.94 120.75 2k3u s ASN 111 Ca -0.02 -0.38 -0.00 0.00 -0.71 0.00 0.00 52.86 51.75 2k3u s ASN 111 Cb -0.03 -0.80 0.00 0.00 0.41 0.00 0.00 41.25 40.84 2k3u s ASN 111 CO 0.01 0.21 0.12 0.61 -1.51 0.00 0.00 177.10 176.54 2k3u n GLY 112 N 1.02 2.93 3.70 0.66 0.00 -0.94 -4.98 105.19 107.58 2k3u n GLY 112 Ca -0.15 -1.45 -0.42 0.00 0.00 0.00 0.00 46.02 44.00 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 -2.21 4.24 0.00 1.61 0.04 -1.16 -4.34 135.00 133.18 2k3u s PRO 113 Ca 0.08 2.22 0.00 0.00 0.04 0.00 0.00 61.00 63.33 2k3u s PRO 113 Cb -0.00 -3.44 0.00 0.00 0.04 0.00 0.00 34.50 31.10 2k3u s PRO 113 CO 0.05 -0.62 0.00 0.41 0.04 0.00 0.00 177.00 176.88 2k3u n GLY 114 N 3.79 1.45 4.03 0.56 0.00 -1.26 -1.69 105.19 112.07 2k3u n GLY 114 Ca 0.14 -0.11 0.00 0.00 0.00 0.00 0.00 46.02 46.05 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 0.00 0.00 -3.58 1.61 5.02 -1.26 -4.77 118.16 115.18 2k3u n LYS 115 Ca 0.00 0.00 -0.14 0.00 -2.02 0.00 0.00 58.31 56.15 2k3u n LYS 115 Cb 0.00 -1.92 -0.06 0.00 -0.02 0.00 0.00 35.03 33.03 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 -0.22 0.00 -0.28 -0.18 -1.32 -1.26 -5.03 115.64 107.35 2k3u s THR 116 Ca 0.00 0.00 0.26 0.00 -1.21 0.00 0.00 61.69 60.74 2k3u s THR 116 Cb 0.00 -1.00 0.36 0.00 -1.51 0.00 0.00 72.50 70.35 2k3u s THR 116 CO 0.00 0.00 1.73 0.78 -2.21 0.00 0.00 174.62 174.92 2k3u h ASN 117 N 3.68 0.00 0.00 8.08 -0.26 -1.86 -3.36 115.58 121.86 2k3u h ASN 117 Ca -0.26 0.00 -0.52 0.00 -0.56 0.00 0.00 56.30 54.96 2k3u h ASN 117 Cb 1.16 0.00 0.02 0.00 -1.06 0.00 0.00 38.32 38.44 2k3u h ASN 117 CO 0.23 0.00 2.92 -0.62 -1.06 0.00 0.00 177.43 178.90 2k3u n GLU 118 N -3.08 2.46 -3.99 0.81 1.02 -1.26 -1.65 120.64 114.95 2k3u n GLU 118 Ca 0.03 -1.79 -0.33 0.00 -0.02 0.00 0.00 57.16 55.05 2k3u n GLU 118 Cb 0.46 -2.67 -0.02 0.00 -0.02 0.00 0.00 31.44 29.18 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 4.68 -1.75 -4.06 -0.32 9.36 -1.26 -3.13 117.16 120.67 2k3u n TYR 119 Ca 0.54 0.70 -0.34 0.00 3.32 0.00 0.00 57.90 62.12 2k3u n TYR 119 Cb 0.22 -2.86 -0.07 0.00 -0.63 0.00 0.00 39.34 36.00 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 -4.13 -1.18 -0.60 2.98 0.00 -1.26 -4.91 120.51 111.41 2k3u n ALA 120 Ca 0.06 -0.21 0.00 0.00 0.00 0.00 0.00 53.44 53.29 2k3u n ALA 120 Cb 0.50 -1.84 0.00 0.00 0.00 0.00 0.00 19.45 18.11 2k3u n ALA 120 CO 0.00 0.00 0.00 0.98 0.00 0.00 0.00 177.50 178.48