#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2k3u s SER 32 N 0.00 -0.21 0.00 6.41 1.04 -1.26 -5.19 113.70 114.49 2k3u s SER 32 Ca 0.00 -0.43 0.00 0.00 0.48 0.00 0.00 55.95 56.00 2k3u s SER 32 Cb 0.00 0.50 0.00 0.00 0.10 0.00 0.00 66.02 66.62 2k3u s SER 32 CO 0.00 -0.92 0.00 0.61 0.98 0.00 0.00 173.24 173.91 2k3u n GLY 33 N -0.26 1.81 3.81 7.32 0.00 -1.26 -5.16 105.19 111.44 2k3u n GLY 33 Ca -0.13 -0.87 -0.34 0.00 0.00 0.00 0.00 46.02 44.68 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 4.08 0.31 0.99 1.43 -1.26 -4.99 118.68 119.25 2k3u s LEU 34 Ca 0.00 1.74 -0.29 0.00 -1.03 0.00 0.00 54.13 54.55 2k3u s LEU 34 Cb 0.00 -4.36 -0.12 0.00 0.03 0.00 0.00 46.19 41.74 2k3u s LEU 34 CO 0.00 -0.26 1.34 -2.65 0.23 0.00 0.00 176.35 175.01 2k3u n PRO 35 N -0.22 2.15 -2.74 1.29 -0.02 -1.26 -4.95 135.00 129.25 2k3u n PRO 35 Ca 0.05 0.76 -0.05 0.00 -2.02 0.00 0.00 63.50 62.24 2k3u n PRO 35 Cb 0.53 -2.37 0.05 0.00 -0.02 0.00 0.00 33.50 31.68 2k3u n PRO 35 CO 0.00 0.00 0.00 -2.37 1.98 0.00 0.00 175.50 175.11 2k3u n THR 36 N 0.85 0.96 -4.56 3.45 5.66 -1.26 -4.99 114.28 114.39 2k3u n THR 36 Ca 0.07 -2.74 -0.29 0.00 -3.05 0.00 0.00 64.05 58.03 2k3u n THR 36 Cb 0.35 0.97 -0.13 0.00 -1.55 0.00 0.00 70.33 69.97 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 -2.92 2.30 0.28 1.09 -4.23 -1.26 -2.07 115.64 108.83 2k3u s THR 37 Ca 0.25 -1.60 -0.04 0.00 -1.18 0.00 0.00 61.69 59.13 2k3u s THR 37 Cb 0.40 -1.98 0.25 0.00 1.34 0.00 0.00 72.50 72.51 2k3u s THR 37 CO -0.01 0.19 1.94 0.25 -0.54 0.00 0.00 174.62 176.44 2k3u h LEU 38 N 4.18 1.03 -0.71 4.79 5.85 -1.47 -0.64 115.31 128.33 2k3u h LEU 38 Ca -0.49 -0.04 -0.11 0.00 0.84 0.00 0.00 57.88 58.07 2k3u h LEU 38 Cb 1.16 -0.26 -0.02 0.00 0.37 0.00 0.00 40.66 41.92 2k3u h LEU 38 CO 0.41 0.76 -0.54 1.23 -0.34 0.00 0.00 178.44 179.97 2k3u h GLY 39 N 1.20 0.00 1.40 3.75 0.00 -0.79 0.90 103.07 109.54 2k3u h GLY 39 Ca 0.32 0.00 -0.15 0.00 0.00 0.00 0.00 47.33 47.50 2k3u h GLY 39 CO -0.07 0.00 -1.07 0.50 0.00 0.00 0.00 176.54 175.91 2k3u h LYS 40 N 0.00 0.00 -0.35 4.80 1.57 -1.68 -3.04 116.57 117.88 2k3u h LYS 40 Ca -0.01 0.00 -0.09 0.00 -1.87 0.00 0.00 60.65 58.68 2k3u h LYS 40 Cb 1.09 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 33.39 2k3u h LYS 40 CO 0.07 0.41 -0.14 1.25 -0.57 0.00 0.00 179.45 180.46 2k3u h LEU 41 N 0.00 0.73 -1.26 2.94 5.85 -1.00 -3.24 115.31 119.33 2k3u h LEU 41 Ca -0.10 -0.39 0.13 0.00 0.84 0.00 0.00 57.88 58.35 2k3u h LEU 41 Cb 1.53 -0.20 -0.07 0.00 0.37 0.00 0.00 40.66 42.29 2k3u h LEU 41 CO 0.06 0.96 0.57 -0.78 -0.34 0.00 0.00 178.44 178.91 2k3u h ASP 42 N 0.50 0.70 -0.30 1.25 1.82 -0.85 0.27 116.42 119.81 2k3u h ASP 42 Ca 0.08 0.03 -0.09 0.00 -0.39 0.00 0.00 57.03 56.66 2k3u h ASP 42 Cb 0.68 -0.11 -0.02 0.00 0.68 0.00 0.00 39.33 40.56 2k3u h ASP 42 CO 0.05 0.38 -0.14 -0.08 -1.61 0.00 0.00 179.24 177.84 2k3u h GLU 43 N 0.76 0.73 0.49 0.28 4.81 -1.57 0.14 114.58 120.22 2k3u h GLU 43 Ca 0.43 -0.25 -0.02 0.00 -0.13 0.00 0.00 59.36 59.39 2k3u h GLU 43 Cb 0.60 -0.06 0.00 0.00 0.63 0.00 0.00 28.75 29.93 2k3u h GLU 43 CO -0.19 0.83 -0.24 0.00 -0.73 0.00 0.00 179.01 178.68 2k3u h ARG 44 N 0.66 -0.63 -0.56 1.92 3.08 -1.38 -2.90 114.38 114.57 2k3u h ARG 44 Ca 0.11 0.04 0.06 0.00 0.07 0.00 0.00 59.98 60.26 2k3u h ARG 44 Cb 0.61 0.14 -0.03 0.00 0.08 0.00 0.00 29.97 30.77 2k3u h ARG 44 CO 0.04 -0.34 0.37 -0.07 -1.07 0.00 0.00 179.97 178.90 2k3u h LEU 45 N -0.85 0.46 -0.96 3.04 3.38 -0.64 0.12 115.31 119.86 2k3u h LEU 45 Ca -0.07 0.00 -0.10 0.00 0.09 0.00 0.00 57.88 57.80 2k3u h LEU 45 Cb 0.58 -0.10 -0.01 0.00 0.09 0.00 0.00 40.66 41.22 2k3u h LEU 45 CO 0.11 0.30 -0.40 0.03 0.09 0.00 0.00 178.44 178.58 2k3u h ARG 46 N 0.53 0.24 -0.17 1.13 3.08 -0.82 -1.29 114.38 117.08 2k3u h ARG 46 Ca 0.24 -0.11 -0.10 0.00 0.07 0.00 0.00 59.98 60.08 2k3u h ARG 46 Cb 0.28 -0.00 -0.00 0.00 0.08 0.00 0.00 29.97 30.32 2k3u h ARG 46 CO -0.07 0.61 -0.29 -0.91 -1.07 0.00 0.00 179.97 178.24 2k3u h ASN 47 N 0.21 0.54 0.03 7.04 2.35 -0.73 -3.17 115.58 121.86 2k3u h ASN 47 Ca 0.02 -0.54 -0.00 0.00 -0.55 0.00 0.00 56.30 55.23 2k3u h ASN 47 Cb 0.80 -0.16 -0.00 0.00 0.05 0.00 0.00 38.32 39.01 2k3u h ASN 47 CO 0.06 0.98 -0.02 1.88 -1.65 0.00 0.00 177.43 178.68 2k3u h TYR 48 N 0.13 0.00 0.31 1.19 -1.99 -0.66 -0.24 116.97 115.70 2k3u h TYR 48 Ca 0.01 0.00 -0.02 0.00 2.00 0.00 0.00 58.73 60.73 2k3u h TYR 48 Cb 0.87 0.00 0.00 0.00 2.00 0.00 0.00 36.73 39.61 2k3u h TYR 48 CO 0.09 0.02 -0.15 -0.07 -0.00 0.00 0.00 178.16 178.06 2k3u h LEU 49 N 0.00 -0.35 -0.61 3.88 3.38 -1.29 -2.11 115.31 118.20 2k3u h LEU 49 Ca -0.00 -0.19 -0.07 0.00 0.09 0.00 0.00 57.88 57.71 2k3u h LEU 49 Cb 0.04 0.09 -0.02 0.00 0.09 0.00 0.00 40.66 40.86 2k3u h LEU 49 CO 0.00 0.09 0.12 0.11 0.09 0.00 0.00 178.44 178.85 2k3u h LYS 50 N -0.88 1.01 0.00 1.13 1.57 -1.39 -0.63 116.57 117.37 2k3u h LYS 50 Ca -0.04 -0.26 0.00 0.00 -1.87 0.00 0.00 60.65 58.48 2k3u h LYS 50 Cb 0.52 -0.12 0.00 0.00 0.08 0.00 0.00 32.23 32.71 2k3u h LYS 50 CO 0.07 0.94 0.00 0.87 -0.57 0.00 0.00 179.45 180.75 2k3u h LYS 51 N 0.92 0.00 0.00 3.15 1.57 -1.22 -3.37 116.57 117.62 2k3u h LYS 51 Ca 0.19 0.00 -0.35 0.00 -1.87 0.00 0.00 60.65 58.62 2k3u h LYS 51 Cb 0.40 0.00 -0.06 0.00 0.08 0.00 0.00 32.23 32.66 2k3u h LYS 51 CO 0.01 0.00 -2.28 0.41 -0.57 0.00 0.00 179.45 177.02 2k3u n GLY 52 N 1.23 -0.33 3.96 3.86 0.00 -0.79 -5.03 105.19 108.09 2k3u n GLY 52 Ca 0.05 -0.14 -0.23 0.00 0.00 0.00 0.00 46.02 45.71 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 -2.44 5.27 0.31 2.61 -4.23 -0.27 -5.03 115.64 111.86 2k3u s THR 53 Ca -0.31 -0.85 0.08 0.00 -1.18 0.00 0.00 61.69 59.43 2k3u s THR 53 Cb 0.09 -3.82 0.05 0.00 1.34 0.00 0.00 72.50 70.16 2k3u s THR 53 CO 0.49 -0.27 1.73 0.11 -0.54 0.00 0.00 174.62 176.14 2k3u h LYS 54 N 1.46 0.18 -2.18 3.99 1.57 -1.89 -3.42 116.57 116.28 2k3u h LYS 54 Ca -0.51 -0.08 -0.09 0.00 -1.87 0.00 0.00 60.65 58.10 2k3u h LYS 54 Cb 1.22 -0.00 -0.27 0.00 0.08 0.00 0.00 32.23 33.25 2k3u h LYS 54 CO 0.63 0.56 -0.38 1.21 -0.57 0.00 0.00 179.45 180.91 2k3u s ASN 55 N -6.89 -0.25 0.31 0.86 2.47 -1.26 -5.05 114.94 105.13 2k3u s ASN 55 Ca -0.04 0.80 0.25 0.00 0.42 0.00 0.00 52.86 54.29 2k3u s ASN 55 Cb 0.14 1.41 0.58 0.00 -1.45 0.00 0.00 41.25 41.92 2k3u s ASN 55 CO 0.76 -0.25 1.68 0.77 -3.72 0.00 0.00 177.10 176.33 2k3u h SER 56 N 8.15 0.00 0.61 -4.21 4.64 -1.81 -3.37 113.55 117.56 2k3u h SER 56 Ca -0.17 -0.01 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 0.17 0.00 0.00 0.00 -0.87 0.00 0.00 176.83 176.14 2k3u h ALA 57 N 2.29 1.00 0.00 5.18 0.00 -1.97 -1.97 119.26 123.79 2k3u h ALA 57 Ca 0.00 0.00 -0.03 0.00 0.00 0.00 0.00 54.91 54.88 2k3u h ALA 57 Cb 0.86 0.00 -0.00 0.00 0.00 0.00 0.00 17.79 18.64 2k3u h ALA 57 CO 0.00 0.00 -0.13 -0.56 0.00 0.00 0.00 179.25 178.56 2k3u h GLN 58 N 0.00 0.00 -6.83 0.00 3.07 -1.99 -3.46 115.11 105.90 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 0.30 0.00 -0.02 0.00 0.08 0.00 0.00 27.48 27.85 2k3u h GLN 58 CO 0.00 0.13 0.36 -0.06 0.09 0.00 0.00 178.83 179.35 2k3u s PHE 59 N -3.70 3.78 0.00 0.06 0.08 -0.74 -0.66 117.98 116.79 2k3u s PHE 59 Ca 0.00 1.82 0.00 0.00 0.12 0.00 0.00 56.93 58.88 2k3u s PHE 59 Cb 0.10 -2.98 0.00 0.00 -0.57 0.00 0.00 43.02 39.57 2k3u s PHE 59 CO 0.60 0.21 0.00 -1.91 -0.10 0.00 0.00 175.22 174.02 2k3u n GLU 60 N 0.92 1.60 -4.08 0.44 2.13 -0.34 -4.69 120.64 116.62 2k3u n GLU 60 Ca 0.00 0.00 -0.13 0.00 0.66 0.00 0.00 57.16 57.70 2k3u n GLU 60 Cb 0.48 -0.89 -0.05 0.00 0.27 0.00 0.00 31.44 31.26 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 -1.77 1.71 0.11 5.31 -2.85 -1.14 -0.41 119.74 120.70 2k3u s LYS 61 Ca 0.00 -1.60 -0.06 0.00 -1.00 0.00 0.00 55.97 53.31 2k3u s LYS 61 Cb 0.00 0.43 -0.02 0.00 -2.06 0.00 0.00 37.83 36.18 2k3u s LYS 61 CO 0.00 -0.70 0.16 0.00 0.10 0.00 0.00 175.35 174.91 2k3u s MET 62 N -3.47 0.90 -0.04 1.78 0.23 -0.13 -1.51 119.30 117.05 2k3u s MET 62 Ca 0.29 -1.12 -0.01 0.00 -1.03 0.00 0.00 55.69 53.82 2k3u s MET 62 Cb 0.01 0.32 0.03 0.00 -1.53 0.00 0.00 34.83 33.65 2k3u s MET 62 CO 0.16 -0.28 0.02 0.54 -2.03 0.00 0.00 175.02 173.43 2k3u s VAL 63 N -3.92 0.13 -0.24 5.16 0.11 0.30 -0.67 120.40 121.26 2k3u s VAL 63 Ca 0.11 0.20 -0.13 0.00 -2.93 0.00 0.00 61.98 59.22 2k3u s VAL 63 Cb 0.05 -0.29 -0.04 0.00 -1.53 0.00 0.00 36.38 34.57 2k3u s VAL 63 CO -0.06 0.18 0.30 -0.63 -3.33 0.00 0.00 175.10 171.55 2k3u s ILE 64 N 1.57 5.25 -0.37 7.04 1.09 -0.25 -1.21 121.20 134.32 2k3u s ILE 64 Ca -0.02 0.46 -0.10 0.00 -1.10 0.00 0.00 60.65 59.89 2k3u s ILE 64 Cb -0.13 -3.63 0.04 0.00 -1.06 0.00 0.00 42.46 37.68 2k3u s ILE 64 CO -0.03 0.26 0.19 -0.76 -0.10 0.00 0.00 174.94 174.50 2k3u s LEU 65 N 1.44 4.69 0.42 2.97 1.02 -0.19 -1.37 118.68 127.66 2k3u s LEU 65 Ca 0.13 -1.10 0.08 0.00 0.02 0.00 0.00 54.13 53.26 2k3u s LEU 65 Cb -0.15 -1.98 -0.00 0.00 0.02 0.00 0.00 46.19 44.08 2k3u s LEU 65 CO 0.08 -0.39 0.50 0.42 0.02 0.00 0.00 176.35 176.97 2k3u s THR 66 N 1.50 2.84 1.02 5.49 -4.23 -0.85 -1.40 115.64 120.00 2k3u s THR 66 Ca 0.01 -1.14 -0.13 0.00 -1.18 0.00 0.00 61.69 59.25 2k3u s THR 66 Cb -0.20 -2.98 0.14 0.00 1.34 0.00 0.00 72.50 70.80 2k3u s THR 66 CO 0.05 0.00 0.66 -0.62 -0.54 0.00 0.00 174.62 174.18 2k3u n GLU 67 N -1.74 -1.06 -3.44 3.99 1.02 -0.40 -3.77 120.64 115.25 2k3u n GLU 67 Ca 0.06 -0.27 -0.24 0.00 -0.02 0.00 0.00 57.16 56.70 2k3u n GLU 67 Cb 0.60 -2.04 0.06 0.00 -0.02 0.00 0.00 31.44 30.05 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 -2.98 -6.21 -0.80 1.62 3.02 -1.13 -3.15 115.26 105.63 2k3u n ASN 68 Ca 0.06 -0.47 -0.10 0.00 -0.03 0.00 0.00 54.58 54.04 2k3u n ASN 68 Cb 0.55 -4.93 -0.04 0.00 -0.61 0.00 0.00 39.78 34.75 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 -4.69 -0.70 -2.43 3.52 5.02 -0.68 -4.81 118.16 113.39 2k3u n LYS 69 Ca -0.03 0.81 -0.41 0.00 -2.02 0.00 0.00 58.31 56.66 2k3u n LYS 69 Cb 0.58 -4.74 -0.04 0.00 -0.02 0.00 0.00 35.03 30.81 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 -2.86 2.77 -0.20 0.72 0.00 -1.21 -4.98 107.32 101.56 2k3u s GLY 70 Ca 0.00 0.90 -0.04 0.00 0.00 0.00 0.00 44.72 45.59 2k3u s GLY 70 CO 0.00 1.76 0.26 -0.47 0.00 0.00 0.00 173.10 174.66 2k3u s TYR 71 N -0.22 -0.42 -0.23 1.90 6.14 -1.25 -2.02 117.35 121.25 2k3u s TYR 71 Ca 0.51 0.49 -0.01 0.00 0.64 0.00 0.00 57.07 58.69 2k3u s TYR 71 Cb -0.32 -0.22 0.07 0.00 0.42 0.00 0.00 41.96 41.91 2k3u s TYR 71 CO 0.37 -0.59 0.02 0.71 0.64 0.00 0.00 175.55 176.70 2k3u s TYR 72 N 2.39 1.58 0.08 4.97 2.02 -0.47 -4.97 117.35 122.96 2k3u s TYR 72 Ca 0.07 -1.31 -0.24 0.00 -0.37 0.00 0.00 57.07 55.22 2k3u s TYR 72 Cb -0.15 -1.34 -0.06 0.00 -0.40 0.00 0.00 41.96 40.00 2k3u s TYR 72 CO -0.12 -0.71 0.71 -0.08 -1.57 0.00 0.00 175.55 173.78 2k3u s THR 73 N 1.67 4.63 -0.10 -0.71 -1.32 -1.26 -1.09 115.64 117.46 2k3u s THR 73 Ca -0.00 1.53 -0.03 0.00 -1.21 0.00 0.00 61.69 61.98 2k3u s THR 73 Cb -0.18 -4.06 0.05 0.00 -1.51 0.00 0.00 72.50 66.80 2k3u s THR 73 CO -0.11 0.46 0.15 -0.69 -2.21 0.00 0.00 174.62 172.22 2k3u s VAL 74 N -0.62 -0.24 -0.11 5.08 1.01 0.15 -4.99 120.40 120.68 2k3u s VAL 74 Ca 0.35 0.28 -0.27 0.00 0.00 0.00 0.00 61.98 62.33 2k3u s VAL 74 Cb -0.21 -0.34 -0.02 0.00 0.00 0.00 0.00 36.38 35.81 2k3u s VAL 74 CO 0.23 0.08 0.90 -0.31 0.00 0.00 0.00 175.10 176.00 2k3u s TYR 75 N 2.27 3.50 -0.43 5.22 1.51 -1.26 -0.95 117.35 127.21 2k3u s TYR 75 Ca 0.04 1.44 0.23 0.00 -1.01 0.00 0.00 57.07 57.77 2k3u s TYR 75 Cb -0.13 -3.07 0.31 0.00 -0.11 0.00 0.00 41.96 38.96 2k3u s TYR 75 CO -0.06 -0.17 1.48 -0.07 -1.11 0.00 0.00 175.55 175.62 2k3u h LEU 76 N 7.85 0.00 0.00 -1.29 3.38 -1.07 -3.36 115.31 120.83 2k3u h LEU 76 Ca -0.33 -0.01 0.00 0.00 0.09 0.00 0.00 57.88 57.63 2k3u h LEU 76 Cb 1.15 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.90 2k3u h LEU 76 CO 0.83 0.01 0.00 0.59 0.09 0.00 0.00 178.44 179.95 2k3u n ASN 77 N -2.87 0.00 -3.88 -0.43 3.02 -1.22 -4.83 115.26 105.04 2k3u n ASN 77 Ca 0.03 0.01 -0.10 0.00 -0.03 0.00 0.00 54.58 54.49 2k3u n ASN 77 Cb 0.52 -0.25 -0.08 0.00 -0.61 0.00 0.00 39.78 39.35 2k3u n ASN 77 CO 0.00 0.00 0.00 0.42 -2.62 0.00 0.00 177.26 175.06 2k3u s THR 78 N -2.51 0.13 0.79 3.41 -4.23 -1.26 -5.17 115.64 106.79 2k3u s THR 78 Ca 0.15 -1.03 -0.11 0.00 -1.18 0.00 0.00 61.69 59.52 2k3u s THR 78 Cb 0.10 -1.02 0.06 0.00 1.34 0.00 0.00 72.50 72.99 2k3u s THR 78 CO 0.23 -0.57 1.09 -2.16 -0.54 0.00 0.00 174.62 172.66 2k3u s PRO 79 N -2.90 2.16 0.22 3.99 0.04 -1.26 -4.98 135.00 132.26 2k3u s PRO 79 Ca -0.02 0.80 0.06 0.00 0.04 0.00 0.00 61.00 61.88 2k3u s PRO 79 Cb 0.01 -1.91 -0.04 0.00 0.04 0.00 0.00 34.50 32.59 2k3u s PRO 79 CO -0.06 -1.61 0.16 -0.48 0.04 0.00 0.00 177.00 175.05 2k3u s LEU 80 N -5.82 3.78 0.56 -3.56 2.34 -1.26 -5.14 118.68 109.58 2k3u s LEU 80 Ca 0.61 -0.22 -0.16 0.00 0.06 0.00 0.00 54.13 54.41 2k3u s LEU 80 Cb -0.15 -2.34 -0.06 0.00 -0.56 0.00 0.00 46.19 43.08 2k3u s LEU 80 CO 0.55 0.01 1.02 0.00 -1.06 0.00 0.00 176.35 176.87 2k3u s ALA 81 N -1.99 2.90 0.59 1.48 0.00 -1.26 -4.99 121.76 118.50 2k3u s ALA 81 Ca 0.32 0.28 0.30 0.00 0.00 0.00 0.00 51.96 52.86 2k3u s ALA 81 Cb -0.09 -3.17 1.79 0.00 0.00 0.00 0.00 23.12 21.65 2k3u s ALA 81 CO 0.24 -0.53 2.21 0.93 0.00 0.00 0.00 175.76 178.61 2k3u h GLU 82 N 0.66 0.00 -0.83 0.00 5.08 -2.00 -2.27 114.58 115.21 2k3u h GLU 82 Ca -0.47 0.00 0.10 0.00 -1.00 0.00 0.00 59.36 57.99 2k3u h GLU 82 Cb 1.20 0.00 -0.07 0.00 0.50 0.00 0.00 28.75 30.38 2k3u h GLU 82 CO 0.59 0.00 0.47 -0.44 -1.00 0.00 0.00 179.01 178.64 2k3u h ASP 83 N 0.00 0.67 -0.12 1.42 3.32 -1.97 -1.76 116.42 117.97 2k3u h ASP 83 Ca 0.03 0.05 -0.21 0.00 0.02 0.00 0.00 57.03 56.92 2k3u h ASP 83 Cb 0.16 -0.08 0.00 0.00 0.22 0.00 0.00 39.33 39.64 2k3u h ASP 83 CO -0.00 0.38 -0.70 0.03 -1.72 0.00 0.00 179.24 177.22 2k3u h ARG 84 N 0.78 0.75 0.00 3.56 3.08 -1.81 -1.08 114.38 119.67 2k3u h ARG 84 Ca 0.40 -0.57 0.00 0.00 0.07 0.00 0.00 59.98 59.88 2k3u h ARG 84 Cb 0.38 0.10 0.00 0.00 0.08 0.00 0.00 29.97 30.54 2k3u h ARG 84 CO -0.25 1.19 0.04 1.63 -1.07 0.00 0.00 179.97 181.50 2k3u n LYS 85 N -3.94 0.12 0.00 0.04 5.02 -0.74 -0.16 118.16 118.50 2k3u n LYS 85 Ca -0.06 0.62 0.00 0.00 -2.02 0.00 0.00 58.31 56.85 2k3u n LYS 85 Cb 0.70 -1.94 0.00 0.00 -0.02 0.00 0.00 35.03 33.77 2k3u n LYS 85 CO 0.00 0.00 0.00 0.09 -0.52 0.00 0.00 177.40 176.97 2k3u n ASN 86 N -2.17 1.49 -4.71 4.39 3.02 -0.76 -4.50 115.26 112.03 2k3u n ASN 86 Ca -0.01 -0.28 -0.42 0.00 -0.03 0.00 0.00 54.58 53.83 2k3u n ASN 86 Cb 0.07 0.87 -0.03 0.00 -0.61 0.00 0.00 39.78 40.08 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 -1.17 3.53 -0.09 2.41 0.11 -0.43 -4.93 120.40 119.83 2k3u s VAL 87 Ca 0.00 1.06 -0.30 0.00 -2.93 0.00 0.00 61.98 59.81 2k3u s VAL 87 Cb 0.00 -3.68 -0.04 0.00 -1.53 0.00 0.00 36.38 31.13 2k3u s VAL 87 CO 0.00 0.06 1.42 -1.61 -3.33 0.00 0.00 175.10 171.64 2k3u s GLU 88 N 1.46 4.23 0.36 1.54 2.02 -1.26 -2.76 118.70 124.28 2k3u s GLU 88 Ca 0.64 1.89 -0.28 0.00 0.02 0.00 0.00 54.97 57.24 2k3u s GLU 88 Cb -0.34 -3.80 -0.10 0.00 0.10 0.00 0.00 34.13 29.99 2k3u s GLU 88 CO 0.29 -0.72 1.36 -0.51 0.02 0.00 0.00 175.26 175.70 2k3u s LEU 89 N 3.44 4.35 0.54 1.80 1.43 -0.88 -4.94 118.68 124.43 2k3u s LEU 89 Ca 0.63 2.80 0.31 0.00 -1.03 0.00 0.00 54.13 56.84 2k3u s LEU 89 Cb -0.27 -3.70 1.52 0.00 0.03 0.00 0.00 46.19 43.77 2k3u s LEU 89 CO 0.22 -0.71 2.07 -0.07 0.23 0.00 0.00 176.35 178.09 2k3u h LEU 90 N 3.12 0.00 0.00 1.79 3.38 -1.90 -3.47 115.31 118.22 2k3u h LEU 90 Ca -0.50 0.00 0.05 0.00 0.09 0.00 0.00 57.88 57.52 2k3u h LEU 90 Cb 1.23 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.98 2k3u h LEU 90 CO 0.64 0.08 0.15 0.61 0.09 0.00 0.00 178.44 180.02 2k3u n GLY 91 N -0.47 0.97 3.77 0.83 0.00 -1.19 -4.59 105.19 104.51 2k3u n GLY 91 Ca -0.01 -0.94 -0.36 0.00 0.00 0.00 0.00 46.02 44.71 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 -2.01 3.39 -0.65 1.61 2.47 -1.26 -4.48 119.74 118.81 2k3u s LYS 92 Ca 0.05 1.72 -0.17 0.00 -1.56 0.00 0.00 55.97 56.01 2k3u s LYS 92 Cb -0.00 -2.11 -0.15 0.00 -1.46 0.00 0.00 37.83 34.11 2k3u s LYS 92 CO 0.01 -0.84 1.85 -0.12 0.16 0.00 0.00 175.35 176.41 2k3u n MET 93 N -1.11 1.34 -0.20 4.03 0.00 -0.31 -1.27 117.12 119.58 2k3u n MET 93 Ca 0.11 -1.53 0.01 0.00 0.00 0.00 0.00 57.70 56.28 2k3u n MET 93 Cb 0.50 -2.67 0.09 0.00 0.00 0.00 0.00 33.22 31.14 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 7.77 -0.12 -3.69 1.12 5.03 -1.37 -3.03 116.97 122.68 2k3u h TYR 94 Ca 0.39 0.05 -0.08 0.00 2.58 0.00 0.00 58.73 61.67 2k3u h TYR 94 Cb 0.49 0.15 -0.13 0.00 1.55 0.00 0.00 36.73 38.79 2k3u h TYR 94 CO 1.46 -0.20 -0.26 0.15 -1.32 0.00 0.00 178.16 177.99 2k3u s LYS 95 N -6.17 1.01 0.00 1.82 1.02 -0.49 -1.90 119.74 115.03 2k3u s LYS 95 Ca -0.14 -0.94 0.02 0.00 0.02 0.00 0.00 55.97 54.93 2k3u s LYS 95 Cb 0.19 0.39 -0.01 0.00 -0.52 0.00 0.00 37.83 37.89 2k3u s LYS 95 CO 0.74 -0.36 -0.06 0.99 -0.92 0.00 0.00 175.35 175.73 2k3u s THR 96 N -3.87 0.48 0.01 2.17 2.01 -0.55 -1.03 115.64 114.86 2k3u s THR 96 Ca 0.08 -0.40 0.08 0.00 0.31 0.00 0.00 61.69 61.75 2k3u s THR 96 Cb 0.03 -0.43 -0.03 0.00 0.01 0.00 0.00 72.50 72.08 2k3u s THR 96 CO -0.08 0.04 -0.23 -0.31 -0.69 0.00 0.00 174.62 173.35 2k3u s TYR 97 N -0.36 2.42 0.03 4.92 2.02 -0.35 -0.96 117.35 125.07 2k3u s TYR 97 Ca 0.00 -0.36 0.04 0.00 -0.37 0.00 0.00 57.07 56.38 2k3u s TYR 97 Cb -0.04 -1.47 -0.02 0.00 -0.40 0.00 0.00 41.96 40.03 2k3u s TYR 97 CO -0.00 0.10 -0.11 -0.06 -1.57 0.00 0.00 175.55 173.91 2k3u s PHE 98 N -0.75 0.99 -0.05 2.71 0.40 0.55 -0.54 117.98 121.28 2k3u s PHE 98 Ca 0.12 -0.35 0.01 0.00 -0.60 0.00 0.00 56.93 56.10 2k3u s PHE 98 Cb -0.10 -0.59 0.02 0.00 0.51 0.00 0.00 43.02 42.86 2k3u s PHE 98 CO 0.01 0.00 -0.04 -0.06 0.70 0.00 0.00 175.22 175.84 2k3u s PHE 99 N -0.86 0.74 1.05 0.36 0.40 -0.57 -1.43 117.98 117.67 2k3u s PHE 99 Ca -0.01 -0.21 -0.12 0.00 -0.60 0.00 0.00 56.93 55.99 2k3u s PHE 99 Cb -0.07 -0.70 0.22 0.00 0.51 0.00 0.00 43.02 42.97 2k3u s PHE 99 CO 0.01 -0.23 1.07 0.15 0.70 0.00 0.00 175.22 176.92 2k3u s LYS 100 N 1.15 0.02 -0.50 0.44 3.01 -1.26 -1.20 119.74 121.40 2k3u s LYS 100 Ca -0.07 0.73 -0.37 0.00 -1.01 0.00 0.00 55.97 55.25 2k3u s LYS 100 Cb -0.14 -1.67 -0.15 0.00 -1.01 0.00 0.00 37.83 34.86 2k3u s LYS 100 CO -0.01 -3.06 2.26 0.36 0.51 0.00 0.00 175.35 175.40 2k3u n LYS 101 N -4.44 0.56 -1.84 1.68 2.85 0.17 -2.59 118.16 114.55 2k3u n LYS 101 Ca 0.05 0.13 0.00 0.00 -1.05 0.00 0.00 58.31 57.44 2k3u n LYS 101 Cb 0.56 -2.07 0.00 0.00 -0.65 0.00 0.00 35.03 32.87 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 6.83 0.55 3.35 2.58 0.00 -1.26 -5.05 105.19 112.20 2k3u n GLY 102 Ca 0.49 -0.46 -0.18 0.00 0.00 0.00 0.00 46.02 45.88 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 -3.58 1.35 0.00 1.61 2.02 -1.07 -5.06 118.70 113.98 2k3u s GLU 103 Ca 0.00 -1.66 0.04 0.00 0.02 0.00 0.00 54.97 53.37 2k3u s GLU 103 Cb 0.00 -0.85 0.07 0.00 0.10 0.00 0.00 34.13 33.45 2k3u s GLU 103 CO 0.00 0.01 0.85 0.45 0.02 0.00 0.00 175.26 176.60 2k3u n SER 104 N -0.42 0.01 -3.71 -0.19 2.88 -1.26 -4.95 113.62 105.98 2k3u n SER 104 Ca -0.06 -1.66 -0.11 0.00 -1.33 0.00 0.00 58.87 55.71 2k3u n SER 104 Cb 0.63 -0.07 -0.10 0.00 -0.75 0.00 0.00 64.21 63.91 2k3u n SER 104 CO 0.00 0.00 0.00 -0.75 -1.23 0.00 0.00 175.04 173.06 2k3u s LYS 105 N 0.00 0.43 0.88 -1.46 2.20 -1.26 -5.16 119.74 115.37 2k3u s LYS 105 Ca 0.05 0.72 -0.12 0.00 -0.36 0.00 0.00 55.97 56.27 2k3u s LYS 105 Cb 0.06 0.08 0.11 0.00 -1.51 0.00 0.00 37.83 36.57 2k3u s LYS 105 CO -0.03 -0.12 1.11 -1.13 -0.36 0.00 0.00 175.35 174.82 2k3u n SER 106 N 3.74 0.42 0.00 1.43 3.41 -1.26 -4.88 113.62 116.48 2k3u n SER 106 Ca -0.20 0.48 0.00 0.00 -0.26 0.00 0.00 58.87 58.90 2k3u n SER 106 Cb 0.56 -1.47 0.00 0.00 -0.26 0.00 0.00 64.21 63.04 2k3u n SER 106 CO 0.00 0.00 0.00 -1.20 -0.16 0.00 0.00 175.04 173.68 2k3u n SER 107 N -3.62 1.95 -3.88 4.04 7.64 -0.51 -5.00 113.62 114.24 2k3u n SER 107 Ca 0.12 -0.20 -0.11 0.00 1.01 0.00 0.00 58.87 59.69 2k3u n SER 107 Cb 0.51 0.79 -0.12 0.00 -1.01 0.00 0.00 64.21 64.38 2k3u n SER 107 CO 0.00 0.00 0.00 -0.47 -3.01 0.00 0.00 175.04 171.56 2k3u s TYR 108 N -1.18 0.02 0.06 1.43 5.04 -1.19 -5.04 117.35 116.50 2k3u s TYR 108 Ca 0.00 -0.04 -0.17 0.00 -2.44 0.00 0.00 57.07 54.42 2k3u s TYR 108 Cb 0.00 -0.04 0.03 0.00 0.35 0.00 0.00 41.96 42.30 2k3u s TYR 108 CO 0.00 -0.13 0.39 0.54 -1.34 0.00 0.00 175.55 175.01 2k3u s VAL 109 N -0.64 0.06 -0.03 3.14 0.11 -1.26 -0.33 120.40 121.45 2k3u s VAL 109 Ca -0.07 -0.51 0.00 0.00 -2.93 0.00 0.00 61.98 58.47 2k3u s VAL 109 Cb -0.04 -0.99 0.03 0.00 -1.53 0.00 0.00 36.38 33.85 2k3u s VAL 109 CO 0.00 -0.28 0.01 -0.63 -3.33 0.00 0.00 175.10 170.87 2k3u s ILE 110 N -2.69 0.12 0.05 7.04 1.01 -0.13 -5.00 121.20 121.59 2k3u s ILE 110 Ca -0.04 0.13 -0.20 0.00 0.00 0.00 0.00 60.65 60.54 2k3u s ILE 110 Cb -0.00 -0.23 -0.06 0.00 0.01 0.00 0.00 42.46 42.17 2k3u s ILE 110 CO -0.04 0.14 0.57 0.20 0.00 0.00 0.00 174.94 175.81 2k3u s ASN 111 N 1.08 7.03 0.18 3.58 -0.87 -1.26 -1.48 114.94 123.20 2k3u s ASN 111 Ca -0.09 1.22 0.02 0.00 -1.57 0.00 0.00 52.86 52.44 2k3u s ASN 111 Cb -0.13 -2.36 -0.01 0.00 -0.02 0.00 0.00 41.25 38.73 2k3u s ASN 111 CO -0.02 0.22 0.20 0.61 -2.57 0.00 0.00 177.10 175.54 2k3u n GLY 112 N 1.97 3.09 3.69 0.66 0.00 -0.80 -4.98 105.19 108.82 2k3u n GLY 112 Ca -0.09 -1.68 -0.42 0.00 0.00 0.00 0.00 46.02 43.83 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 -2.61 4.23 0.00 1.61 0.04 -1.15 -4.35 135.00 132.78 2k3u s PRO 113 Ca 0.19 2.17 0.00 0.00 0.04 0.00 0.00 61.00 63.40 2k3u s PRO 113 Cb 0.00 -3.61 0.00 0.00 0.04 0.00 0.00 34.50 30.94 2k3u s PRO 113 CO 0.14 -0.67 0.00 0.41 0.04 0.00 0.00 177.00 176.91 2k3u n GLY 114 N 3.85 3.63 0.00 0.56 0.00 -1.26 -1.17 105.19 110.80 2k3u n GLY 114 Ca 0.15 -1.35 0.00 0.00 0.00 0.00 0.00 46.02 44.82 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 -1.65 0.00 -3.62 1.61 4.81 -1.26 -4.72 118.16 113.33 2k3u n LYS 115 Ca 0.00 0.00 -0.18 0.00 -0.87 0.00 0.00 58.31 57.26 2k3u n LYS 115 Cb 0.00 -0.46 -0.15 0.00 0.02 0.00 0.00 35.03 34.44 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 -1.00 -0.27 -1.64 3.15 -1.32 -1.26 -4.99 115.64 108.31 2k3u s THR 116 Ca 0.00 0.20 0.16 0.00 -1.21 0.00 0.00 61.69 60.84 2k3u s THR 116 Cb 0.00 -0.42 0.34 0.00 -1.51 0.00 0.00 72.50 70.92 2k3u s THR 116 CO 0.00 0.03 1.42 0.59 -2.21 0.00 0.00 174.62 174.45 2k3u n ASN 117 N 5.32 0.00 -1.53 8.08 4.13 -1.26 -2.81 115.26 127.19 2k3u n ASN 117 Ca -0.05 -0.14 0.10 0.00 1.68 0.00 0.00 54.58 56.17 2k3u n ASN 117 Cb 0.50 -0.18 0.35 0.00 -1.54 0.00 0.00 39.78 38.91 2k3u n ASN 117 CO 0.00 0.00 0.00 -0.62 0.28 0.00 0.00 177.26 176.92 2k3u n GLU 118 N -1.18 3.37 -1.69 3.52 1.02 -1.26 -1.69 120.64 122.74 2k3u n GLU 118 Ca 0.09 -2.83 -0.01 0.00 -0.02 0.00 0.00 57.16 54.39 2k3u n GLU 118 Cb 0.10 -1.78 -0.01 0.00 -0.02 0.00 0.00 31.44 29.73 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 1.37 -1.11 -1.80 -0.32 9.36 -1.26 -4.91 117.16 118.48 2k3u n TYR 119 Ca 0.26 0.65 -0.30 0.00 3.32 0.00 0.00 57.90 61.83 2k3u n TYR 119 Cb 0.80 -2.15 -0.07 0.00 -0.63 0.00 0.00 39.34 37.28 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 0.42 1.85 0.11 2.98 0.00 -1.26 -4.97 120.51 119.64 2k3u n ALA 120 Ca -0.09 -2.97 0.01 0.00 0.00 0.00 0.00 53.44 50.39 2k3u n ALA 120 Cb 0.14 -3.50 0.05 0.00 0.00 0.00 0.00 19.45 16.14 2k3u n ALA 120 CO 0.00 0.00 0.00 0.98 0.00 0.00 0.00 177.50 178.48