#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 0.70 0.00 6.41 2.88 -1.26 -5.16 113.62 117.20 2k3u n SER 32 Ca 0.00 -0.13 0.00 0.00 -1.33 0.00 0.00 58.87 57.41 2k3u n SER 32 Cb 0.00 0.41 0.00 0.00 -0.75 0.00 0.00 64.21 63.87 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 0.62 -0.40 3.43 0.46 0.00 -1.26 -5.14 105.19 102.90 2k3u n GLY 33 Ca 0.00 -0.92 -0.11 0.00 0.00 0.00 0.00 46.02 45.00 2k3u n GLY 33 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2k3u s LEU 34 N 0.00 0.71 0.00 0.99 1.43 -1.26 -5.12 118.68 115.42 2k3u s LEU 34 Ca 0.00 -1.16 0.00 0.00 -1.03 0.00 0.00 54.13 51.94 2k3u s LEU 34 Cb 0.00 1.19 0.00 0.00 0.03 0.00 0.00 46.19 47.41 2k3u s LEU 34 CO 0.00 -1.03 0.13 -0.81 0.23 0.00 0.00 176.35 174.87 2k3u n PRO 35 N -0.35 0.00 -4.30 1.29 -0.04 -1.26 -4.87 135.00 125.47 2k3u n PRO 35 Ca 0.00 0.00 -0.38 0.00 -0.04 0.00 0.00 63.50 63.08 2k3u n PRO 35 Cb 0.63 -0.61 -0.07 0.00 -0.04 0.00 0.00 33.50 33.42 2k3u n PRO 35 CO 0.00 0.00 0.00 -2.37 -0.04 0.00 0.00 175.50 173.09 2k3u n THR 36 N -0.14 -0.13 -4.41 0.52 5.66 -1.26 -4.93 114.28 109.58 2k3u n THR 36 Ca 0.00 0.00 -0.30 0.00 -3.05 0.00 0.00 64.05 60.70 2k3u n THR 36 Cb 0.00 -0.61 -0.11 0.00 -1.55 0.00 0.00 70.33 68.05 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 -3.13 3.12 0.40 1.09 -4.23 -1.26 -0.75 115.64 110.87 2k3u s THR 37 Ca 0.74 -1.22 0.12 0.00 -1.18 0.00 0.00 61.69 60.15 2k3u s THR 37 Cb -0.43 -2.39 0.34 0.00 1.34 0.00 0.00 72.50 71.35 2k3u s THR 37 CO 0.91 0.22 1.90 0.25 -0.54 0.00 0.00 174.62 177.37 2k3u h LEU 38 N 4.05 0.51 0.30 4.79 6.46 -1.50 -1.84 115.31 128.08 2k3u h LEU 38 Ca -0.49 0.03 -0.01 0.00 -0.12 0.00 0.00 57.88 57.29 2k3u h LEU 38 Cb 1.16 -0.07 -0.00 0.00 -0.73 0.00 0.00 40.66 41.02 2k3u h LEU 38 CO 0.50 0.27 -0.18 1.23 -0.62 0.00 0.00 178.44 179.63 2k3u h GLY 39 N 0.54 -0.47 1.14 3.75 0.00 -1.51 0.17 103.07 106.70 2k3u h GLY 39 Ca 0.39 0.20 -0.14 0.00 0.00 0.00 0.00 47.33 47.78 2k3u h GLY 39 CO -0.15 -0.18 -0.25 0.50 0.00 0.00 0.00 176.54 176.46 2k3u h LYS 40 N -0.46 0.97 -0.36 4.80 1.79 -1.72 -2.10 116.57 119.49 2k3u h LYS 40 Ca -0.03 -0.43 0.01 0.00 -2.18 0.00 0.00 60.65 58.02 2k3u h LYS 40 Cb 0.38 -0.02 -0.02 0.00 -1.58 0.00 0.00 32.23 30.98 2k3u h LYS 40 CO 0.03 1.10 0.23 1.25 -1.08 0.00 0.00 179.45 180.98 2k3u h LEU 41 N 0.83 0.38 -0.82 2.94 5.85 -1.37 -3.06 115.31 120.06 2k3u h LEU 41 Ca 0.10 -0.00 0.01 0.00 0.84 0.00 0.00 57.88 58.83 2k3u h LEU 41 Cb 0.83 -0.09 -0.04 0.00 0.37 0.00 0.00 40.66 41.73 2k3u h LEU 41 CO 0.07 0.28 0.54 -0.78 -0.34 0.00 0.00 178.44 178.20 2k3u h ASP 42 N 0.46 0.92 -0.79 1.25 1.82 -0.39 0.86 116.42 120.55 2k3u h ASP 42 Ca 0.14 -0.02 0.03 0.00 -0.39 0.00 0.00 57.03 56.79 2k3u h ASP 42 Cb -0.03 -0.22 -0.05 0.00 0.68 0.00 0.00 39.33 39.71 2k3u h ASP 42 CO -0.05 0.66 0.51 -0.08 -1.61 0.00 0.00 179.24 178.67 2k3u h GLU 43 N 1.08 0.97 0.52 0.28 4.81 -1.37 0.56 114.58 121.43 2k3u h GLU 43 Ca 0.31 -0.06 -0.03 0.00 -0.13 0.00 0.00 59.36 59.45 2k3u h GLU 43 Cb -0.09 -0.22 0.01 0.00 0.63 0.00 0.00 28.75 29.08 2k3u h GLU 43 CO -0.08 0.64 -0.25 0.00 -0.73 0.00 0.00 179.01 178.59 2k3u h ARG 44 N 0.99 -0.68 -0.64 1.92 3.08 -1.32 -2.94 114.38 114.80 2k3u h ARG 44 Ca 0.32 0.05 -0.08 0.00 0.07 0.00 0.00 59.98 60.33 2k3u h ARG 44 Cb 0.00 0.15 -0.03 0.00 0.08 0.00 0.00 29.97 30.18 2k3u h ARG 44 CO -0.11 -0.39 0.09 -0.07 -1.07 0.00 0.00 179.97 178.42 2k3u h LEU 45 N -0.84 1.02 -0.95 3.04 3.38 -0.40 0.96 115.31 121.52 2k3u h LEU 45 Ca -0.07 -0.25 -0.03 0.00 0.09 0.00 0.00 57.88 57.62 2k3u h LEU 45 Cb 0.60 -0.27 -0.00 0.00 0.09 0.00 0.00 40.66 41.07 2k3u h LEU 45 CO 0.12 1.02 -0.16 0.08 0.09 0.00 0.00 178.44 179.59 2k3u h ARG 46 N 1.00 0.00 -0.31 1.13 0.11 -1.04 -2.39 114.38 112.88 2k3u h ARG 46 Ca 0.20 0.00 -0.18 0.00 0.10 0.00 0.00 59.98 60.10 2k3u h ARG 46 Cb 0.45 0.00 -0.00 0.00 1.11 0.00 0.00 29.97 31.53 2k3u h ARG 46 CO 0.01 0.16 -0.50 -0.91 0.10 0.00 0.00 179.97 178.84 2k3u h ASN 47 N 0.00 0.97 -0.80 0.08 2.35 -1.19 -3.37 115.58 113.63 2k3u h ASN 47 Ca -0.00 -0.50 0.11 0.00 -0.55 0.00 0.00 56.30 55.36 2k3u h ASN 47 Cb 0.78 -0.28 -0.08 0.00 0.05 0.00 0.00 38.32 38.80 2k3u h ASN 47 CO 0.02 1.29 0.43 1.88 -1.65 0.00 0.00 177.43 179.41 2k3u h TYR 48 N 0.69 0.78 -0.56 1.19 0.05 -0.29 0.52 116.97 119.35 2k3u h TYR 48 Ca 0.03 0.03 -0.03 0.00 0.05 0.00 0.00 58.73 58.81 2k3u h TYR 48 Cb 1.10 -0.23 -0.02 0.00 1.01 0.00 0.00 36.73 38.59 2k3u h TYR 48 CO 0.07 0.28 0.23 -0.07 -1.05 0.00 0.00 178.16 177.62 2k3u h LEU 49 N 0.70 0.76 -0.28 3.88 3.38 -1.72 -0.04 115.31 122.00 2k3u h LEU 49 Ca 0.40 -0.17 -0.08 0.00 0.09 0.00 0.00 57.88 58.12 2k3u h LEU 49 Cb 0.43 -0.20 -0.01 0.00 0.09 0.00 0.00 40.66 40.97 2k3u h LEU 49 CO -0.28 0.72 -0.13 0.11 0.09 0.00 0.00 178.44 178.96 2k3u h LYS 50 N 0.76 0.58 0.00 1.13 1.57 -1.46 0.72 116.57 119.88 2k3u h LYS 50 Ca 0.19 -0.25 0.00 0.00 -1.87 0.00 0.00 60.65 58.71 2k3u h LYS 50 Cb 0.19 -0.02 0.00 0.00 0.08 0.00 0.00 32.23 32.48 2k3u h LYS 50 CO -0.02 0.82 0.00 0.87 -0.57 0.00 0.00 179.45 180.55 2k3u h LYS 51 N 0.33 0.00 0.00 3.15 1.57 -0.91 -3.39 116.57 117.32 2k3u h LYS 51 Ca 0.06 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.84 2k3u h LYS 51 Cb 0.64 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.95 2k3u h LYS 51 CO 0.04 0.00 -0.74 0.41 -0.57 0.00 0.00 179.45 178.59 2k3u n GLY 52 N -0.70 0.00 3.95 3.86 0.00 -0.03 -5.04 105.19 107.22 2k3u n GLY 52 Ca -0.01 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.78 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 -1.77 4.48 0.23 2.61 -4.23 0.22 -5.03 115.64 112.15 2k3u s THR 53 Ca 0.00 -0.48 0.03 0.00 -1.18 0.00 0.00 61.69 60.06 2k3u s THR 53 Cb 0.00 -3.64 -0.04 0.00 1.34 0.00 0.00 72.50 70.16 2k3u s THR 53 CO 0.00 -0.44 1.56 0.11 -0.54 0.00 0.00 174.62 175.32 2k3u h LYS 54 N 0.55 0.30 -1.54 3.99 1.57 -1.92 -3.41 116.57 116.10 2k3u h LYS 54 Ca -0.48 -0.19 -0.25 0.00 -1.87 0.00 0.00 60.65 57.87 2k3u h LYS 54 Cb 1.24 0.02 -0.26 0.00 0.08 0.00 0.00 32.23 33.31 2k3u h LYS 54 CO 0.59 0.79 -0.59 0.54 -0.57 0.00 0.00 179.45 180.20 2k3u s ASN 55 N -6.90 -0.01 0.54 0.86 4.22 -1.26 -5.05 114.94 107.34 2k3u s ASN 55 Ca -0.05 -1.33 0.29 0.00 -2.14 0.00 0.00 52.86 49.63 2k3u s ASN 55 Cb 0.12 1.15 1.45 0.00 1.28 0.00 0.00 41.25 45.25 2k3u s ASN 55 CO 0.80 -0.21 1.93 -1.28 -2.04 0.00 0.00 177.10 176.30 2k3u h SER 56 N 6.88 0.00 0.06 3.54 0.87 -1.80 -3.30 113.55 119.79 2k3u h SER 56 Ca 0.06 0.00 -0.00 0.00 -1.23 0.00 0.00 61.79 60.62 2k3u h SER 56 Cb 1.10 0.00 -0.00 0.00 -0.44 0.00 0.00 62.40 63.06 2k3u h SER 56 CO 0.15 0.00 -0.00 0.00 -0.53 0.00 0.00 176.83 176.45 2k3u h ALA 57 N 1.61 1.04 0.00 6.23 0.00 -1.96 -2.34 119.26 123.84 2k3u h ALA 57 Ca 0.35 -0.00 -0.05 0.00 0.00 0.00 0.00 54.91 55.21 2k3u h ALA 57 Cb 1.43 -0.00 -0.01 0.00 0.00 0.00 0.00 17.79 19.21 2k3u h ALA 57 CO -0.00 0.00 -0.22 -0.56 0.00 0.00 0.00 179.25 178.46 2k3u h GLN 58 N 0.00 0.00 -7.13 0.00 3.07 -1.98 -3.46 115.11 105.61 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 0.03 0.00 0.05 0.00 0.08 0.00 0.00 27.48 27.65 2k3u h GLN 58 CO 0.00 0.22 0.39 -0.06 0.09 0.00 0.00 178.83 179.47 2k3u s PHE 59 N -3.70 2.90 0.00 0.06 0.08 -0.88 -1.22 117.98 115.22 2k3u s PHE 59 Ca 0.00 1.55 0.00 0.00 0.12 0.00 0.00 56.93 58.60 2k3u s PHE 59 Cb 0.10 -3.10 0.00 0.00 -0.57 0.00 0.00 43.02 39.46 2k3u s PHE 59 CO 0.63 -1.14 0.00 -0.85 -0.10 0.00 0.00 175.22 173.76 2k3u n GLU 60 N -1.52 2.15 -4.06 0.44 0.28 -0.21 -4.68 120.64 113.05 2k3u n GLU 60 Ca 0.10 0.00 -0.10 0.00 -0.16 0.00 0.00 57.16 56.99 2k3u n GLU 60 Cb 0.52 -0.78 -0.06 0.00 1.43 0.00 0.00 31.44 32.55 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 -1.56 1.48 0.07 3.44 -2.85 -1.23 -0.32 119.74 118.77 2k3u s LYS 61 Ca 0.00 -1.38 0.00 0.00 -1.00 0.00 0.00 55.97 53.59 2k3u s LYS 61 Cb 0.00 0.42 -0.04 0.00 -2.06 0.00 0.00 37.83 36.15 2k3u s LYS 61 CO 0.00 -0.59 -0.04 0.00 0.10 0.00 0.00 175.35 174.82 2k3u s MET 62 N -3.99 0.70 -0.04 1.78 0.23 -0.32 -2.14 119.30 115.51 2k3u s MET 62 Ca 0.27 -1.26 -0.08 0.00 -1.03 0.00 0.00 55.69 53.59 2k3u s MET 62 Cb 0.01 0.04 0.01 0.00 -1.53 0.00 0.00 34.83 33.37 2k3u s MET 62 CO 0.10 -0.07 0.19 0.54 -2.03 0.00 0.00 175.02 173.75 2k3u s VAL 63 N -3.78 0.04 -0.05 5.16 0.11 0.02 -1.65 120.40 120.25 2k3u s VAL 63 Ca 0.09 -0.30 0.02 0.00 -2.93 0.00 0.00 61.98 58.86 2k3u s VAL 63 Cb 0.07 -0.37 0.01 0.00 -1.53 0.00 0.00 36.38 34.56 2k3u s VAL 63 CO -0.08 -0.16 -0.10 -0.63 -3.33 0.00 0.00 175.10 170.80 2k3u s ILE 64 N -0.57 0.91 -0.24 7.04 1.01 0.42 -0.58 121.20 129.18 2k3u s ILE 64 Ca -0.07 -0.37 -0.01 0.00 0.00 0.00 0.00 60.65 60.20 2k3u s ILE 64 Cb -0.04 -0.84 0.02 0.00 0.01 0.00 0.00 42.46 41.61 2k3u s ILE 64 CO 0.01 0.30 -0.07 -0.76 0.00 0.00 0.00 174.94 174.41 2k3u s LEU 65 N 0.57 3.06 0.44 2.97 1.43 -0.10 -1.61 118.68 125.43 2k3u s LEU 65 Ca -0.10 -0.82 0.08 0.00 -1.03 0.00 0.00 54.13 52.26 2k3u s LEU 65 Cb -0.13 -1.65 0.00 0.00 0.03 0.00 0.00 46.19 44.44 2k3u s LEU 65 CO 0.02 -0.11 0.47 0.42 0.23 0.00 0.00 176.35 177.39 2k3u s THR 66 N 1.33 2.68 1.00 5.49 -4.23 -0.94 -2.34 115.64 118.63 2k3u s THR 66 Ca 0.01 -1.21 -0.13 0.00 -1.18 0.00 0.00 61.69 59.18 2k3u s THR 66 Cb -0.16 -2.89 0.11 0.00 1.34 0.00 0.00 72.50 70.90 2k3u s THR 66 CO -0.05 0.00 0.64 -0.62 -0.54 0.00 0.00 174.62 174.05 2k3u n GLU 67 N -1.71 -0.84 -3.42 3.99 1.02 -1.03 -3.92 120.64 114.73 2k3u n GLU 67 Ca 0.06 -0.20 -0.20 0.00 -0.02 0.00 0.00 57.16 56.79 2k3u n GLU 67 Cb 0.61 -2.03 0.07 0.00 -0.02 0.00 0.00 31.44 30.07 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 -2.73 -5.56 -1.66 1.62 3.02 -1.24 -2.98 115.26 105.73 2k3u n ASN 68 Ca 0.07 -0.46 -0.18 0.00 -0.03 0.00 0.00 54.58 53.98 2k3u n ASN 68 Cb 0.54 -4.34 -0.05 0.00 -0.61 0.00 0.00 39.78 35.32 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 -4.29 -1.33 -2.68 3.52 5.02 -0.17 -4.85 118.16 113.38 2k3u n LYS 69 Ca -0.00 1.02 -0.40 0.00 -2.02 0.00 0.00 58.31 56.90 2k3u n LYS 69 Cb 0.56 -5.38 -0.05 0.00 -0.02 0.00 0.00 35.03 30.13 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 -2.55 3.07 -0.07 0.72 0.00 -1.23 -5.01 107.32 102.25 2k3u s GLY 70 Ca 0.00 0.68 -0.03 0.00 0.00 0.00 0.00 44.72 45.37 2k3u s GLY 70 CO 0.00 1.33 0.14 -0.47 0.00 0.00 0.00 173.10 174.10 2k3u s TYR 71 N -0.90 -0.14 0.01 1.90 6.14 -1.26 -2.22 117.35 120.88 2k3u s TYR 71 Ca 0.43 0.51 -0.00 0.00 0.64 0.00 0.00 57.07 58.65 2k3u s TYR 71 Cb -0.27 -0.22 -0.01 0.00 0.42 0.00 0.00 41.96 41.88 2k3u s TYR 71 CO 0.34 -0.22 -0.01 0.71 0.64 0.00 0.00 175.55 177.01 2k3u s TYR 72 N 1.85 0.08 -0.01 4.97 2.02 -0.63 -4.98 117.35 120.64 2k3u s TYR 72 Ca -0.01 -0.16 -0.02 0.00 -0.37 0.00 0.00 57.07 56.51 2k3u s TYR 72 Cb -0.12 -0.06 -0.00 0.00 -0.40 0.00 0.00 41.96 41.38 2k3u s TYR 72 CO -0.05 -0.06 0.05 -0.08 -1.57 0.00 0.00 175.55 173.84 2k3u s THR 73 N -0.44 0.04 -0.06 -0.71 -1.32 -1.26 -0.44 115.64 111.46 2k3u s THR 73 Ca -0.05 -0.37 -0.03 0.00 -1.21 0.00 0.00 61.69 60.04 2k3u s THR 73 Cb -0.03 -0.20 0.03 0.00 -1.51 0.00 0.00 72.50 70.79 2k3u s THR 73 CO -0.00 -0.20 0.13 -0.69 -2.21 0.00 0.00 174.62 171.64 2k3u s VAL 74 N -0.61 -0.03 -0.04 5.08 1.01 -0.66 -5.00 120.40 120.14 2k3u s VAL 74 Ca -0.07 0.13 -0.30 0.00 0.00 0.00 0.00 61.98 61.74 2k3u s VAL 74 Cb -0.04 -0.21 -0.03 0.00 0.00 0.00 0.00 36.38 36.10 2k3u s VAL 74 CO 0.00 0.05 1.04 -0.31 0.00 0.00 0.00 175.10 175.88 2k3u s TYR 75 N 0.81 3.54 -1.04 5.22 1.51 -1.26 -1.17 117.35 124.96 2k3u s TYR 75 Ca -0.06 1.57 0.29 0.00 -1.01 0.00 0.00 57.07 57.85 2k3u s TYR 75 Cb -0.08 -3.21 1.24 0.00 -0.11 0.00 0.00 41.96 39.80 2k3u s TYR 75 CO -0.04 -0.35 1.92 1.28 -1.11 0.00 0.00 175.55 177.25 2k3u n LEU 76 N 4.41 0.00 0.00 -1.29 4.77 0.56 -4.10 117.00 121.36 2k3u n LEU 76 Ca 0.08 0.48 0.06 0.00 -0.03 0.00 0.00 56.01 56.59 2k3u n LEU 76 Cb 0.49 -0.48 0.26 0.00 -2.33 0.00 0.00 43.42 41.36 2k3u n LEU 76 CO 0.53 -0.01 0.68 0.59 -1.33 0.00 0.00 177.39 177.85 2k3u n ASN 77 N -1.48 0.00 -3.89 -1.43 3.02 -1.25 -4.76 115.26 105.46 2k3u n ASN 77 Ca 0.08 0.44 -0.11 0.00 -0.03 0.00 0.00 54.58 54.96 2k3u n ASN 77 Cb 0.32 -0.47 -0.11 0.00 -0.61 0.00 0.00 39.78 38.92 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 -2.94 0.07 0.29 3.41 -4.23 -1.26 -5.15 115.64 105.84 2k3u s THR 78 Ca 0.06 -0.58 -0.30 0.00 -1.18 0.00 0.00 61.69 59.70 2k3u s THR 78 Cb 0.08 -0.31 -0.11 0.00 1.34 0.00 0.00 72.50 73.49 2k3u s THR 78 CO 0.21 -0.32 1.58 -2.84 -0.54 0.00 0.00 174.62 172.71 2k3u s PRO 79 N -1.04 4.13 0.66 3.99 0.02 -1.26 -5.01 135.00 136.49 2k3u s PRO 79 Ca -0.11 2.56 -0.13 0.00 0.02 0.00 0.00 61.00 63.34 2k3u s PRO 79 Cb -0.07 -3.03 -0.01 0.00 0.02 0.00 0.00 34.50 31.42 2k3u s PRO 79 CO 0.01 -0.61 1.06 -0.48 -0.33 0.00 0.00 177.00 176.64 2k3u s LEU 80 N -0.54 3.27 0.47 -5.54 2.34 -1.26 -5.05 118.68 112.38 2k3u s LEU 80 Ca 0.63 1.69 -0.20 0.00 0.06 0.00 0.00 54.13 56.31 2k3u s LEU 80 Cb -0.47 -4.51 -0.09 0.00 -0.56 0.00 0.00 46.19 40.56 2k3u s LEU 80 CO 0.48 -1.33 0.98 0.00 -1.06 0.00 0.00 176.35 175.42 2k3u s ALA 81 N -2.83 2.99 0.53 1.48 0.00 -1.26 -4.85 121.76 117.81 2k3u s ALA 81 Ca 0.60 0.40 0.41 0.00 0.00 0.00 0.00 51.96 53.37 2k3u s ALA 81 Cb -0.15 -3.17 2.14 0.00 0.00 0.00 0.00 23.12 21.94 2k3u s ALA 81 CO 0.48 -0.11 2.27 1.05 0.00 0.00 0.00 175.76 179.46 2k3u h GLU 82 N 1.53 0.00 -0.24 0.00 4.11 -1.99 -0.70 114.58 117.29 2k3u h GLU 82 Ca -0.49 0.00 -0.03 0.00 0.07 0.00 0.00 59.36 58.91 2k3u h GLU 82 Cb 1.19 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.43 2k3u h GLU 82 CO 0.60 0.01 0.03 -0.44 0.07 0.00 0.00 179.01 179.28 2k3u h ASP 83 N 0.00 0.39 1.02 3.06 3.32 -1.98 -3.19 116.42 119.04 2k3u h ASP 83 Ca -0.00 -0.27 -0.03 0.00 0.02 0.00 0.00 57.03 56.74 2k3u h ASP 83 Cb 0.13 -0.10 -0.00 0.00 0.22 0.00 0.00 39.33 39.57 2k3u h ASP 83 CO 0.00 0.57 -0.15 0.03 -1.72 0.00 0.00 179.24 177.97 2k3u h ARG 84 N 0.20 0.00 -0.00 3.56 3.08 -1.53 -1.94 114.38 117.75 2k3u h ARG 84 Ca 0.07 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.12 2k3u h ARG 84 Cb 0.35 0.00 -0.00 0.00 0.08 0.00 0.00 29.97 30.40 2k3u h ARG 84 CO 0.01 0.15 0.00 0.87 -1.07 0.00 0.00 179.97 179.93 2k3u h LYS 85 N 0.00 0.00 0.00 0.04 1.57 -1.39 -2.61 116.57 114.17 2k3u h LYS 85 Ca -0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 2k3u h LYS 85 Cb 0.70 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.01 2k3u h LYS 85 CO 0.02 0.00 -0.04 0.09 -0.57 0.00 0.00 179.45 178.95 2k3u n ASN 86 N -3.26 1.25 -4.72 0.86 4.13 -0.78 -3.55 115.26 109.19 2k3u n ASN 86 Ca -0.03 -1.83 -0.41 0.00 1.68 0.00 0.00 54.58 53.99 2k3u n ASN 86 Cb 0.08 -0.07 -0.04 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 -0.85 4.85 0.15 2.41 0.11 -0.90 -4.95 120.40 121.22 2k3u s VAL 87 Ca 0.04 1.74 -0.30 0.00 -2.93 0.00 0.00 61.98 60.53 2k3u s VAL 87 Cb 0.04 -4.17 -0.07 0.00 -1.53 0.00 0.00 36.38 30.65 2k3u s VAL 87 CO 0.00 0.27 1.00 -0.70 -3.33 0.00 0.00 175.10 172.34 2k3u s GLU 88 N 0.52 4.69 0.03 1.54 2.12 -1.26 -1.84 118.70 124.50 2k3u s GLU 88 Ca 0.43 1.54 -0.29 0.00 0.36 0.00 0.00 54.97 57.01 2k3u s GLU 88 Cb -0.20 -3.33 -0.04 0.00 0.26 0.00 0.00 34.13 30.82 2k3u s GLU 88 CO 0.24 0.22 0.94 -0.51 -0.54 0.00 0.00 175.26 175.60 2k3u s LEU 89 N -0.29 4.41 0.56 2.70 1.43 0.07 -4.91 118.68 122.66 2k3u s LEU 89 Ca 0.47 1.65 0.27 0.00 -1.03 0.00 0.00 54.13 55.49 2k3u s LEU 89 Cb -0.26 -3.52 1.67 0.00 0.03 0.00 0.00 46.19 44.11 2k3u s LEU 89 CO 0.32 -0.17 2.20 -0.07 0.23 0.00 0.00 176.35 178.86 2k3u h LEU 90 N 6.33 0.00 0.00 1.79 3.38 -1.89 -3.47 115.31 121.45 2k3u h LEU 90 Ca -0.42 0.00 0.02 0.00 0.09 0.00 0.00 57.88 57.57 2k3u h LEU 90 Cb 1.21 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.96 2k3u h LEU 90 CO 0.74 0.03 0.13 0.61 0.09 0.00 0.00 178.44 180.03 2k3u n GLY 91 N -1.22 1.37 3.77 0.83 0.00 -1.16 -4.59 105.19 104.18 2k3u n GLY 91 Ca -0.03 -1.02 -0.34 0.00 0.00 0.00 0.00 46.02 44.63 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 -2.02 2.95 -0.80 1.61 2.47 -1.26 -4.53 119.74 118.16 2k3u s LYS 92 Ca 0.05 1.53 -0.05 0.00 -1.56 0.00 0.00 55.97 55.94 2k3u s LYS 92 Cb -0.01 -1.96 -0.05 0.00 -1.46 0.00 0.00 37.83 34.36 2k3u s LYS 92 CO 0.02 -1.16 1.97 -0.12 0.16 0.00 0.00 175.35 176.22 2k3u n MET 93 N -2.00 1.81 -0.11 4.03 0.00 -0.55 -2.47 117.12 117.84 2k3u n MET 93 Ca 0.11 -1.34 -0.05 0.00 0.00 0.00 0.00 57.70 56.42 2k3u n MET 93 Cb 0.51 -2.40 0.01 0.00 0.00 0.00 0.00 33.22 31.34 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 6.55 -0.34 -2.30 1.12 3.20 -1.45 -3.17 116.97 120.57 2k3u h TYR 94 Ca 0.43 0.04 -0.07 0.00 3.14 0.00 0.00 58.73 62.27 2k3u h TYR 94 Cb 0.14 0.21 -0.21 0.00 1.54 0.00 0.00 36.73 38.42 2k3u h TYR 94 CO 1.96 -0.22 0.02 0.21 -1.64 0.00 0.00 178.16 178.49 2k3u s LYS 95 N -6.18 0.83 0.07 1.82 2.20 -0.99 -1.98 119.74 115.51 2k3u s LYS 95 Ca -0.14 0.45 0.04 0.00 -0.36 0.00 0.00 55.97 55.96 2k3u s LYS 95 Cb 0.14 0.39 -0.03 0.00 -1.51 0.00 0.00 37.83 36.83 2k3u s LYS 95 CO 0.70 -0.19 -0.12 0.99 -0.36 0.00 0.00 175.35 176.37 2k3u s THR 96 N -0.52 0.96 0.06 3.43 2.01 -0.60 -0.93 115.64 120.05 2k3u s THR 96 Ca -0.06 -1.30 0.03 0.00 0.31 0.00 0.00 61.69 60.67 2k3u s THR 96 Cb -0.03 -1.00 -0.03 0.00 0.01 0.00 0.00 72.50 71.46 2k3u s THR 96 CO 0.05 -0.30 -0.09 -0.31 -0.69 0.00 0.00 174.62 173.27 2k3u s TYR 97 N -1.45 0.85 -0.03 4.92 1.51 0.25 -1.64 117.35 121.76 2k3u s TYR 97 Ca -0.03 -0.55 -0.08 0.00 -1.01 0.00 0.00 57.07 55.40 2k3u s TYR 97 Cb -0.09 -0.49 0.01 0.00 -0.11 0.00 0.00 41.96 41.28 2k3u s TYR 97 CO 0.02 -0.05 0.19 -0.06 -1.11 0.00 0.00 175.55 174.54 2k3u s PHE 98 N -1.71 -0.10 -0.02 2.71 0.40 0.17 -0.80 117.98 118.63 2k3u s PHE 98 Ca -0.04 0.19 0.02 0.00 -0.60 0.00 0.00 56.93 56.50 2k3u s PHE 98 Cb -0.08 0.02 0.00 0.00 0.51 0.00 0.00 43.02 43.48 2k3u s PHE 98 CO 0.00 -0.23 -0.07 -0.06 0.70 0.00 0.00 175.22 175.56 2k3u s PHE 99 N -0.79 0.76 0.76 0.36 0.40 -0.91 -0.87 117.98 117.68 2k3u s PHE 99 Ca -0.09 -0.17 -0.11 0.00 -0.60 0.00 0.00 56.93 55.96 2k3u s PHE 99 Cb -0.05 -0.54 0.04 0.00 0.51 0.00 0.00 43.02 42.98 2k3u s PHE 99 CO 0.01 -0.07 1.09 0.15 0.70 0.00 0.00 175.22 177.11 2k3u s LYS 100 N 0.13 2.44 -0.37 0.44 3.01 -1.26 -1.04 119.74 123.08 2k3u s LYS 100 Ca -0.02 0.63 -0.38 0.00 -1.01 0.00 0.00 55.97 55.19 2k3u s LYS 100 Cb -0.07 -1.96 -0.14 0.00 -1.01 0.00 0.00 37.83 34.65 2k3u s LYS 100 CO 0.00 -1.37 2.08 1.17 0.51 0.00 0.00 175.35 177.74 2k3u n LYS 101 N -3.26 0.83 -0.52 1.68 3.00 -0.36 -1.34 118.16 118.20 2k3u n LYS 101 Ca 0.07 0.25 0.00 0.00 -0.00 0.00 0.00 58.31 58.63 2k3u n LYS 101 Cb 0.56 -2.15 0.00 0.00 0.00 0.00 0.00 35.03 33.44 2k3u n LYS 101 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.40 177.81 2k3u n GLY 102 N 6.26 0.75 3.94 3.14 0.00 -1.26 -5.07 105.19 112.95 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 -0.48 2.98 0.00 1.61 2.02 -0.45 -5.04 118.70 119.33 2k3u s GLU 103 Ca 0.00 -0.29 0.00 0.00 0.02 0.00 0.00 54.97 54.70 2k3u s GLU 103 Cb 0.00 -2.43 0.00 0.00 0.10 0.00 0.00 34.13 31.80 2k3u s GLU 103 CO 0.00 -0.48 0.03 -1.13 0.02 0.00 0.00 175.26 173.70 2k3u n SER 104 N -2.31 0.05 -4.10 -0.19 3.41 -1.26 -4.89 113.62 104.33 2k3u n SER 104 Ca 0.03 -0.61 -0.22 0.00 -0.26 0.00 0.00 58.87 57.81 2k3u n SER 104 Cb 0.58 0.04 -0.15 0.00 -0.26 0.00 0.00 64.21 64.41 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 -0.04 1.13 0.73 4.33 2.20 -1.26 -5.15 119.74 121.68 2k3u s LYS 105 Ca 0.00 -0.49 -0.13 0.00 -0.36 0.00 0.00 55.97 54.99 2k3u s LYS 105 Cb 0.00 -1.08 0.04 0.00 -1.51 0.00 0.00 37.83 35.27 2k3u s LYS 105 CO 0.00 0.29 1.13 0.45 -0.36 0.00 0.00 175.35 176.86 2k3u s SER 106 N -0.29 4.53 0.00 1.43 0.15 -1.26 -4.84 113.70 113.42 2k3u s SER 106 Ca 0.05 2.06 0.00 0.00 0.70 0.00 0.00 55.95 58.75 2k3u s SER 106 Cb -0.06 -2.55 0.00 0.00 -1.71 0.00 0.00 66.02 61.70 2k3u s SER 106 CO -0.00 -2.02 0.00 -0.24 1.20 0.00 0.00 173.24 172.17 2k3u n SER 107 N -2.94 3.69 -4.10 5.45 2.88 -0.05 -4.97 113.62 113.59 2k3u n SER 107 Ca 0.11 -0.06 -0.23 0.00 -1.33 0.00 0.00 58.87 57.37 2k3u n SER 107 Cb 0.52 0.85 -0.15 0.00 -0.75 0.00 0.00 64.21 64.68 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 -1.59 1.29 0.02 0.66 5.04 -1.11 -5.01 117.35 116.65 2k3u s TYR 108 Ca 0.00 -0.28 -0.05 0.00 -2.44 0.00 0.00 57.07 54.30 2k3u s TYR 108 Cb 0.00 -0.85 -0.01 0.00 0.35 0.00 0.00 41.96 41.45 2k3u s TYR 108 CO 0.00 -0.06 0.08 0.14 -1.34 0.00 0.00 175.55 174.37 2k3u s VAL 109 N -0.19 0.11 -0.08 3.14 -7.23 -1.26 -0.66 120.40 114.22 2k3u s VAL 109 Ca 0.03 -0.87 -0.04 0.00 -1.81 0.00 0.00 61.98 59.29 2k3u s VAL 109 Cb -0.07 -0.52 0.05 0.00 0.56 0.00 0.00 36.38 36.39 2k3u s VAL 109 CO 0.00 -0.48 0.18 -0.63 -0.31 0.00 0.00 175.10 173.85 2k3u s ILE 110 N -1.76 -0.18 -0.12 -0.62 1.01 -0.65 -5.01 121.20 113.87 2k3u s ILE 110 Ca -0.12 0.27 -0.10 0.00 0.00 0.00 0.00 60.65 60.70 2k3u s ILE 110 Cb -0.06 -0.30 -0.05 0.00 0.01 0.00 0.00 42.46 42.06 2k3u s ILE 110 CO -0.01 0.11 0.20 0.20 0.00 0.00 0.00 174.94 175.44 2k3u s ASN 111 N 1.82 6.44 0.24 3.58 0.02 -1.26 -1.55 114.94 124.22 2k3u s ASN 111 Ca -0.03 0.52 -0.03 0.00 -1.02 0.00 0.00 52.86 52.30 2k3u s ASN 111 Cb -0.12 -2.12 0.01 0.00 0.02 0.00 0.00 41.25 39.05 2k3u s ASN 111 CO -0.06 0.32 0.36 0.61 0.02 0.00 0.00 177.10 178.34 2k3u n GLY 112 N 2.39 2.27 3.75 0.66 0.00 -0.84 -5.00 105.19 108.42 2k3u n GLY 112 Ca -0.17 -1.48 -0.41 0.00 0.00 0.00 0.00 46.02 43.95 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 -2.47 4.38 0.00 1.61 0.04 -1.20 -4.18 135.00 133.18 2k3u s PRO 113 Ca 0.18 2.10 0.00 0.00 0.04 0.00 0.00 61.00 63.33 2k3u s PRO 113 Cb -0.01 -3.16 0.00 0.00 0.04 0.00 0.00 34.50 31.37 2k3u s PRO 113 CO 0.13 -0.23 0.00 0.41 0.04 0.00 0.00 177.00 177.35 2k3u n GLY 114 N 1.93 4.12 0.00 0.56 0.00 -1.26 -1.48 105.19 109.05 2k3u n GLY 114 Ca 0.04 -1.58 0.00 0.00 0.00 0.00 0.00 46.02 44.48 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 -1.70 1.56 -3.72 1.61 4.81 -1.26 -4.70 118.16 114.77 2k3u n LYS 115 Ca 0.00 0.00 -0.13 0.00 -0.87 0.00 0.00 58.31 57.31 2k3u n LYS 115 Cb 0.00 -0.62 -0.13 0.00 0.02 0.00 0.00 35.03 34.30 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 -1.11 -0.11 -1.52 3.15 -1.32 -1.26 -5.01 115.64 108.46 2k3u s THR 116 Ca 0.00 0.18 0.17 0.00 -1.21 0.00 0.00 61.69 60.82 2k3u s THR 116 Cb 0.00 -0.39 0.33 0.00 -1.51 0.00 0.00 72.50 70.93 2k3u s THR 116 CO 0.00 0.07 1.48 0.59 -2.21 0.00 0.00 174.62 174.55 2k3u n ASN 117 N 4.44 0.00 0.04 8.08 4.13 -1.26 -3.61 115.26 127.08 2k3u n ASN 117 Ca -0.22 -0.05 0.11 0.00 1.68 0.00 0.00 54.58 56.11 2k3u n ASN 117 Cb 0.52 -0.24 0.06 0.00 -1.54 0.00 0.00 39.78 38.58 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 -1.24 0.32 0.00 3.52 1.02 -1.26 -1.00 120.64 121.99 2k3u n GLU 118 Ca 0.09 0.03 0.00 0.00 -0.02 0.00 0.00 57.16 57.25 2k3u n GLU 118 Cb 0.12 -1.63 0.00 0.00 -0.02 0.00 0.00 31.44 29.91 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 -2.06 0.00 -4.22 -0.32 9.36 -1.25 -4.73 117.16 113.95 2k3u n TYR 119 Ca 0.02 0.00 -0.31 0.00 3.32 0.00 0.00 57.90 60.93 2k3u n TYR 119 Cb 0.45 0.00 -0.16 0.00 -0.63 0.00 0.00 39.34 38.99 2k3u n TYR 119 CO 0.00 0.00 0.00 0.00 0.22 0.00 0.00 176.86 177.08 2k3u s ALA 120 N -0.85 2.02 0.00 2.98 0.00 -1.26 -4.84 121.76 119.80 2k3u s ALA 120 Ca 0.00 -0.99 0.00 0.00 0.00 0.00 0.00 51.96 50.97 2k3u s ALA 120 Cb 0.00 -1.04 0.00 0.00 0.00 0.00 0.00 23.12 22.08 2k3u s ALA 120 CO 0.00 -0.27 0.00 0.98 0.00 0.00 0.00 175.76 176.47