#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 0.32 0.00 0.53 7.64 -1.26 -2.97 113.62 117.89 2k3u n SER 32 Ca 0.00 -0.70 0.00 0.00 1.01 0.00 0.00 58.87 59.18 2k3u n SER 32 Cb 0.00 -0.88 0.00 0.00 -1.01 0.00 0.00 64.21 62.32 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 -1.73 0.87 2.98 0.23 0.00 -1.26 -5.14 105.19 101.14 2k3u n GLY 33 Ca -0.15 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 45.76 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 1.88 0.27 0.99 1.43 -1.16 -5.15 118.68 116.95 2k3u s LEU 34 Ca 0.00 -0.14 -0.29 0.00 -1.03 0.00 0.00 54.13 52.68 2k3u s LEU 34 Cb 0.00 0.25 -0.14 0.00 0.03 0.00 0.00 46.19 46.33 2k3u s LEU 34 CO 0.00 -0.17 1.08 -2.65 0.23 0.00 0.00 176.35 174.84 2k3u n PRO 35 N 2.30 1.42 0.12 1.29 -0.02 -1.26 -0.43 135.00 138.43 2k3u n PRO 35 Ca -0.18 0.50 0.12 0.00 -2.02 0.00 0.00 63.50 61.92 2k3u n PRO 35 Cb 0.57 -1.92 0.47 0.00 -0.02 0.00 0.00 33.50 32.60 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 0.52 0.77 -3.66 3.45 5.66 -1.26 -4.54 114.28 115.22 2k3u n THR 36 Ca 0.10 0.11 -0.37 0.00 -3.05 0.00 0.00 64.05 60.84 2k3u n THR 36 Cb 0.31 -1.01 -0.06 0.00 -1.55 0.00 0.00 70.33 68.02 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 -3.25 5.22 0.36 1.09 -4.23 -1.26 -0.84 115.64 112.73 2k3u s THR 37 Ca 0.06 0.55 0.05 0.00 -1.18 0.00 0.00 61.69 61.18 2k3u s THR 37 Cb 0.10 -3.59 0.29 0.00 1.34 0.00 0.00 72.50 70.64 2k3u s THR 37 CO 0.44 0.57 1.96 0.25 -0.54 0.00 0.00 174.62 177.30 2k3u h LEU 38 N 4.70 0.67 -0.42 4.79 6.46 -1.39 -2.63 115.31 127.49 2k3u h LEU 38 Ca -0.53 0.00 0.08 0.00 -0.12 0.00 0.00 57.88 57.31 2k3u h LEU 38 Cb 1.22 -0.14 -0.07 0.00 -0.73 0.00 0.00 40.66 40.94 2k3u h LEU 38 CO 0.61 0.44 -0.00 1.23 -0.62 0.00 0.00 178.44 180.09 2k3u h GLY 39 N 0.77 0.42 1.74 3.75 0.00 -1.18 0.21 103.07 108.77 2k3u h GLY 39 Ca 0.30 0.06 -0.14 0.00 0.00 0.00 0.00 47.33 47.55 2k3u h GLY 39 CO -0.10 -0.11 -0.56 0.50 0.00 0.00 0.00 176.54 176.27 2k3u h LYS 40 N 0.10 0.27 -0.71 4.80 1.79 -1.81 -2.88 116.57 118.14 2k3u h LYS 40 Ca 0.21 -0.17 -0.03 0.00 -2.18 0.00 0.00 60.65 58.48 2k3u h LYS 40 Cb 0.30 0.02 -0.03 0.00 -1.58 0.00 0.00 32.23 30.94 2k3u h LYS 40 CO -0.35 0.76 0.34 1.25 -1.08 0.00 0.00 179.45 180.36 2k3u h LEU 41 N 0.21 0.94 -1.36 2.94 5.85 -1.05 -2.15 115.31 120.68 2k3u h LEU 41 Ca 0.00 -0.14 -0.02 0.00 0.84 0.00 0.00 57.88 58.57 2k3u h LEU 41 Cb 1.05 -0.24 -0.02 0.00 0.37 0.00 0.00 40.66 41.81 2k3u h LEU 41 CO 0.09 0.81 0.24 -0.78 -0.34 0.00 0.00 178.44 178.45 2k3u h ASP 42 N 1.00 0.60 -0.47 1.25 3.58 -0.85 0.14 116.42 121.66 2k3u h ASP 42 Ca 0.24 -0.05 -0.05 0.00 0.42 0.00 0.00 57.03 57.59 2k3u h ASP 42 Cb 0.13 -0.15 -0.02 0.00 1.72 0.00 0.00 39.33 41.01 2k3u h ASP 42 CO -0.03 0.51 0.09 -0.08 -2.88 0.00 0.00 179.24 176.84 2k3u h GLU 43 N 0.67 0.77 -0.03 0.28 4.81 -1.29 -1.84 114.58 117.96 2k3u h GLU 43 Ca 0.17 -0.20 -0.00 0.00 -0.13 0.00 0.00 59.36 59.20 2k3u h GLU 43 Cb 0.06 -0.09 -0.00 0.00 0.63 0.00 0.00 28.75 29.35 2k3u h GLU 43 CO -0.02 0.78 0.01 0.00 -0.73 0.00 0.00 179.01 179.04 2k3u h ARG 44 N 0.64 0.04 -0.20 1.92 3.08 -0.77 -2.56 114.38 116.53 2k3u h ARG 44 Ca 0.14 -0.01 -0.05 0.00 0.07 0.00 0.00 59.98 60.14 2k3u h ARG 44 Cb 0.37 -0.01 -0.01 0.00 0.08 0.00 0.00 29.97 30.40 2k3u h ARG 44 CO 0.01 0.17 -0.10 -0.07 -1.07 0.00 0.00 179.97 178.90 2k3u h LEU 45 N -0.10 0.30 -0.97 3.04 3.38 -0.67 0.18 115.31 120.47 2k3u h LEU 45 Ca 0.01 -0.06 -0.06 0.00 0.09 0.00 0.00 57.88 57.86 2k3u h LEU 45 Cb 0.14 -0.08 -0.03 0.00 0.09 0.00 0.00 40.66 40.79 2k3u h LEU 45 CO -0.00 0.44 0.12 0.03 0.09 0.00 0.00 178.44 179.12 2k3u h ARG 46 N 0.31 0.87 -0.13 1.13 3.08 -1.36 -0.75 114.38 117.53 2k3u h ARG 46 Ca 0.06 -0.19 -0.03 0.00 0.07 0.00 0.00 59.98 59.89 2k3u h ARG 46 Cb 0.37 -0.12 -0.00 0.00 0.08 0.00 0.00 29.97 30.29 2k3u h ARG 46 CO 0.02 0.79 -0.04 -0.91 -1.07 0.00 0.00 179.97 178.76 2k3u h ASN 47 N 0.83 0.26 -0.73 7.04 2.35 -0.61 -2.07 115.58 122.66 2k3u h ASN 47 Ca 0.18 -0.38 0.12 0.00 -0.55 0.00 0.00 56.30 55.67 2k3u h ASN 47 Cb 0.33 -0.07 -0.08 0.00 0.05 0.00 0.00 38.32 38.54 2k3u h ASN 47 CO 0.00 0.58 0.32 1.88 -1.65 0.00 0.00 177.43 178.57 2k3u h TYR 48 N -0.06 0.57 0.50 1.19 -1.99 -0.65 -2.14 116.97 114.39 2k3u h TYR 48 Ca 0.03 0.03 -0.02 0.00 2.00 0.00 0.00 58.73 60.77 2k3u h TYR 48 Cb 0.47 -0.14 0.00 0.00 2.00 0.00 0.00 36.73 39.06 2k3u h TYR 48 CO 0.06 0.14 -0.24 -0.07 -0.00 0.00 0.00 178.16 178.05 2k3u h LEU 49 N 0.52 -0.57 -0.44 3.88 3.38 -1.06 -0.91 115.31 120.11 2k3u h LEU 49 Ca 0.38 -0.07 -0.07 0.00 0.09 0.00 0.00 57.88 58.21 2k3u h LEU 49 Cb 0.50 0.15 -0.02 0.00 0.09 0.00 0.00 40.66 41.38 2k3u h LEU 49 CO -0.33 -0.22 -0.00 0.11 0.09 0.00 0.00 178.44 178.08 2k3u h LYS 50 N -0.95 0.79 0.00 1.13 1.57 -1.34 -0.76 116.57 117.01 2k3u h LYS 50 Ca -0.07 -0.25 0.00 0.00 -1.87 0.00 0.00 60.65 58.46 2k3u h LYS 50 Cb 0.60 -0.07 0.00 0.00 0.08 0.00 0.00 32.23 32.84 2k3u h LYS 50 CO 0.11 0.85 0.00 1.63 -0.57 0.00 0.00 179.45 181.47 2k3u n LYS 51 N -4.39 0.18 -0.04 3.15 5.02 -0.81 -4.16 118.16 117.11 2k3u n LYS 51 Ca -0.00 0.28 -0.03 0.00 -2.02 0.00 0.00 58.31 56.54 2k3u n LYS 51 Cb 0.30 -1.77 -0.08 0.00 -0.02 0.00 0.00 35.03 33.45 2k3u n LYS 51 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 2k3u n GLY 52 N 0.67 -0.52 3.74 0.72 0.00 -0.35 -5.05 105.19 104.41 2k3u n GLY 52 Ca 0.04 -0.19 -0.27 0.00 0.00 0.00 0.00 46.02 45.60 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 -2.35 1.95 0.09 2.61 -4.23 -0.33 -5.03 115.64 108.35 2k3u s THR 53 Ca -0.05 -1.78 -0.18 0.00 -1.18 0.00 0.00 61.69 58.50 2k3u s THR 53 Cb 0.04 -2.73 -0.08 0.00 1.34 0.00 0.00 72.50 71.07 2k3u s THR 53 CO 0.44 0.00 1.54 0.11 -0.54 0.00 0.00 174.62 176.18 2k3u h LYS 54 N 1.38 0.44 0.00 3.99 1.57 -1.92 -3.43 116.57 118.60 2k3u h LYS 54 Ca -0.42 -0.13 0.00 0.00 -1.87 0.00 0.00 60.65 58.23 2k3u h LYS 54 Cb 1.27 -0.05 0.00 0.00 0.08 0.00 0.00 32.23 33.53 2k3u h LYS 54 CO 0.71 0.58 -0.45 0.09 -0.57 0.00 0.00 179.45 179.81 2k3u n ASN 55 N -4.65 1.84 0.00 0.86 3.02 -1.26 -5.03 115.26 110.03 2k3u n ASN 55 Ca -0.03 0.00 0.00 0.00 -0.03 0.00 0.00 54.58 54.52 2k3u n ASN 55 Cb 0.22 0.03 0.00 0.00 -0.61 0.00 0.00 39.78 39.42 2k3u n ASN 55 CO 0.00 0.00 0.00 -0.24 -2.62 0.00 0.00 177.26 174.40 2k3u n SER 56 N -1.86 0.00 0.02 6.41 2.88 -1.26 -4.76 113.62 115.06 2k3u n SER 56 Ca 0.00 0.00 0.04 0.00 -1.33 0.00 0.00 58.87 57.58 2k3u n SER 56 Cb 0.22 0.00 0.20 0.00 -0.75 0.00 0.00 64.21 63.88 2k3u n SER 56 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 2k3u n ALA 57 N 0.00 1.28 0.98 -1.46 0.00 -1.26 -1.99 120.51 118.06 2k3u n ALA 57 Ca 0.00 0.01 0.11 0.00 0.00 0.00 0.00 53.44 53.56 2k3u n ALA 57 Cb 0.00 -1.14 0.10 0.00 0.00 0.00 0.00 19.45 18.41 2k3u n ALA 57 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2k3u n GLN 58 N -1.62 0.02 -2.34 0.00 10.64 -1.26 -4.92 117.38 117.90 2k3u n GLN 58 Ca 0.01 -0.00 -0.38 0.00 -1.83 0.00 0.00 57.00 54.80 2k3u n GLN 58 Cb 0.08 -1.51 -0.02 0.00 -0.86 0.00 0.00 30.24 27.93 2k3u n GLN 58 CO 0.00 0.00 0.00 -0.06 -1.83 0.00 0.00 177.06 175.17 2k3u s PHE 59 N -3.01 3.12 0.00 2.61 0.08 -0.84 -1.49 117.98 118.44 2k3u s PHE 59 Ca 0.09 1.57 0.00 0.00 0.12 0.00 0.00 56.93 58.72 2k3u s PHE 59 Cb 0.17 -3.35 0.00 0.00 -0.57 0.00 0.00 43.02 39.27 2k3u s PHE 59 CO 0.77 -1.19 0.00 -1.91 -0.10 0.00 0.00 175.22 172.79 2k3u n GLU 60 N 0.10 0.75 -4.14 0.44 2.13 -0.08 -4.76 120.64 115.07 2k3u n GLU 60 Ca 0.04 0.00 -0.11 0.00 0.66 0.00 0.00 57.16 57.75 2k3u n GLU 60 Cb 0.47 -0.93 -0.09 0.00 0.27 0.00 0.00 31.44 31.16 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 -1.86 1.27 0.09 5.31 -2.85 -1.18 -0.75 119.74 119.77 2k3u s LYS 61 Ca 0.00 -1.52 -0.02 0.00 -1.00 0.00 0.00 55.97 53.43 2k3u s LYS 61 Cb 0.00 0.32 -0.03 0.00 -2.06 0.00 0.00 37.83 36.06 2k3u s LYS 61 CO 0.00 -0.45 0.04 0.00 0.10 0.00 0.00 175.35 175.05 2k3u s MET 62 N -4.12 0.79 0.00 1.78 0.23 0.02 -1.62 119.30 116.39 2k3u s MET 62 Ca 0.34 -1.27 0.01 0.00 -1.03 0.00 0.00 55.69 53.73 2k3u s MET 62 Cb 0.05 0.25 -0.01 0.00 -1.53 0.00 0.00 34.83 33.59 2k3u s MET 62 CO 0.11 -0.20 -0.03 0.54 -2.03 0.00 0.00 175.02 173.40 2k3u s VAL 63 N -3.96 0.22 -0.14 5.16 0.11 0.19 -1.19 120.40 120.78 2k3u s VAL 63 Ca 0.14 -0.25 0.01 0.00 -2.93 0.00 0.00 61.98 58.95 2k3u s VAL 63 Cb 0.07 -0.21 0.02 0.00 -1.53 0.00 0.00 36.38 34.73 2k3u s VAL 63 CO -0.05 -0.02 -0.16 -0.63 -3.33 0.00 0.00 175.10 170.91 2k3u s ILE 64 N -0.27 1.66 -0.26 7.04 1.01 0.19 -0.83 121.20 129.73 2k3u s ILE 64 Ca -0.01 -0.70 0.01 0.00 0.00 0.00 0.00 60.65 59.95 2k3u s ILE 64 Cb -0.02 -1.53 0.05 0.00 0.01 0.00 0.00 42.46 40.97 2k3u s ILE 64 CO -0.00 0.47 -0.08 -0.76 0.00 0.00 0.00 174.94 174.57 2k3u s LEU 65 N 1.30 3.45 0.48 2.97 1.02 -0.55 -1.65 118.68 125.70 2k3u s LEU 65 Ca 0.02 -1.26 0.07 0.00 0.02 0.00 0.00 54.13 52.97 2k3u s LEU 65 Cb -0.13 -1.60 0.01 0.00 0.02 0.00 0.00 46.19 44.48 2k3u s LEU 65 CO -0.08 -0.19 0.38 0.42 0.02 0.00 0.00 176.35 176.90 2k3u s THR 66 N 1.18 2.13 1.02 5.49 -4.23 -0.44 -1.17 115.64 119.62 2k3u s THR 66 Ca -0.06 -1.44 -0.16 0.00 -1.18 0.00 0.00 61.69 58.85 2k3u s THR 66 Cb -0.19 -2.57 0.04 0.00 1.34 0.00 0.00 72.50 71.11 2k3u s THR 66 CO -0.04 0.00 0.06 -0.62 -0.54 0.00 0.00 174.62 173.48 2k3u n GLU 67 N -1.64 -0.75 -2.57 3.99 1.02 -0.70 -3.96 120.64 116.02 2k3u n GLU 67 Ca 0.01 -0.19 -0.19 0.00 -0.02 0.00 0.00 57.16 56.77 2k3u n GLU 67 Cb 0.63 -1.69 0.01 0.00 -0.02 0.00 0.00 31.44 30.37 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 -0.84 -5.53 -1.50 1.62 3.02 -0.98 -2.99 115.26 108.05 2k3u n ASN 68 Ca 0.03 -0.11 -0.18 0.00 -0.03 0.00 0.00 54.58 54.30 2k3u n ASN 68 Cb 0.58 -4.51 -0.06 0.00 -0.61 0.00 0.00 39.78 35.18 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 -3.14 -1.28 -2.02 3.52 5.02 0.67 -4.87 118.16 116.06 2k3u n LYS 69 Ca -0.18 1.08 -0.42 0.00 -2.02 0.00 0.00 58.31 56.77 2k3u n LYS 69 Cb 0.65 -5.38 -0.03 0.00 -0.02 0.00 0.00 35.03 30.25 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 -2.69 1.64 -0.06 0.72 0.00 -1.16 -4.97 107.32 100.80 2k3u s GLY 70 Ca 0.00 1.09 -0.02 0.00 0.00 0.00 0.00 44.72 45.78 2k3u s GLY 70 CO 0.00 2.80 0.11 -0.47 0.00 0.00 0.00 173.10 175.54 2k3u s TYR 71 N 2.71 -0.08 0.00 1.90 6.14 -1.26 -1.33 117.35 125.43 2k3u s TYR 71 Ca 0.71 0.43 0.00 0.00 0.64 0.00 0.00 57.07 58.85 2k3u s TYR 71 Cb -0.37 -0.29 -0.00 0.00 0.42 0.00 0.00 41.96 41.73 2k3u s TYR 71 CO 0.30 -0.21 -0.00 0.71 0.64 0.00 0.00 175.55 176.99 2k3u s TYR 72 N 1.90 0.03 0.02 4.97 2.02 -0.66 -4.98 117.35 120.64 2k3u s TYR 72 Ca -0.00 -0.03 0.07 0.00 -0.37 0.00 0.00 57.07 56.74 2k3u s TYR 72 Cb -0.12 -0.02 -0.03 0.00 -0.40 0.00 0.00 41.96 41.39 2k3u s TYR 72 CO -0.05 -0.01 -0.21 -0.08 -1.57 0.00 0.00 175.55 173.63 2k3u s THR 73 N -0.08 2.53 -0.06 -0.71 -1.32 -1.26 -0.63 115.64 114.10 2k3u s THR 73 Ca -0.01 -1.16 -0.03 0.00 -1.21 0.00 0.00 61.69 59.29 2k3u s THR 73 Cb -0.01 -2.01 0.04 0.00 -1.51 0.00 0.00 72.50 69.02 2k3u s THR 73 CO -0.00 0.42 0.14 -0.69 -2.21 0.00 0.00 174.62 172.28 2k3u s VAL 74 N -0.81 -0.10 -0.22 5.08 1.01 -0.33 -5.01 120.40 120.01 2k3u s VAL 74 Ca 0.13 0.24 -0.17 0.00 0.00 0.00 0.00 61.98 62.18 2k3u s VAL 74 Cb -0.10 -0.24 -0.04 0.00 0.00 0.00 0.00 36.38 36.01 2k3u s VAL 74 CO 0.03 0.10 0.43 -0.31 0.00 0.00 0.00 175.10 175.35 2k3u s TYR 75 N 1.48 3.34 -0.98 5.22 1.51 -1.26 -0.80 117.35 125.86 2k3u s TYR 75 Ca -0.06 0.62 0.28 0.00 -1.01 0.00 0.00 57.07 56.91 2k3u s TYR 75 Cb -0.12 -2.59 1.06 0.00 -0.11 0.00 0.00 41.96 40.21 2k3u s TYR 75 CO -0.06 -0.09 1.81 1.28 -1.11 0.00 0.00 175.55 177.39 2k3u n LEU 76 N 4.79 0.14 0.12 -1.29 4.77 0.07 -3.92 117.00 121.69 2k3u n LEU 76 Ca -0.07 0.40 0.09 0.00 -0.03 0.00 0.00 56.01 56.41 2k3u n LEU 76 Cb 0.51 -0.44 0.46 0.00 -2.33 0.00 0.00 43.42 41.62 2k3u n LEU 76 CO 0.40 0.02 0.78 0.59 -1.33 0.00 0.00 177.39 177.85 2k3u n ASN 77 N -1.54 0.47 -3.84 -1.43 3.02 -1.24 -4.80 115.26 105.90 2k3u n ASN 77 Ca 0.07 0.68 -0.10 0.00 -0.03 0.00 0.00 54.58 55.19 2k3u n ASN 77 Cb 0.34 -0.76 -0.08 0.00 -0.61 0.00 0.00 39.78 38.68 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 -3.37 0.11 0.73 3.41 -4.23 -1.25 -5.16 115.64 105.88 2k3u s THR 78 Ca 0.01 -0.93 -0.15 0.00 -1.18 0.00 0.00 61.69 59.44 2k3u s THR 78 Cb 0.06 -1.01 0.04 0.00 1.34 0.00 0.00 72.50 72.94 2k3u s THR 78 CO 0.23 -0.51 1.18 -2.16 -0.54 0.00 0.00 174.62 172.82 2k3u s PRO 79 N -2.85 2.21 0.95 3.99 0.04 -1.26 -4.95 135.00 133.13 2k3u s PRO 79 Ca -0.03 1.65 -0.11 0.00 0.04 0.00 0.00 61.00 62.55 2k3u s PRO 79 Cb 0.00 -1.85 0.16 0.00 0.04 0.00 0.00 34.50 32.85 2k3u s PRO 79 CO -0.05 -1.75 1.11 -0.48 0.04 0.00 0.00 177.00 175.86 2k3u s LEU 80 N -5.20 2.40 0.37 -3.56 2.34 -1.26 -5.09 118.68 108.67 2k3u s LEU 80 Ca 0.72 1.94 0.02 0.00 0.06 0.00 0.00 54.13 56.87 2k3u s LEU 80 Cb -0.27 -4.27 -0.02 0.00 -0.56 0.00 0.00 46.19 41.08 2k3u s LEU 80 CO 0.45 -3.16 0.56 0.00 -1.06 0.00 0.00 176.35 173.14 2k3u s ALA 81 N -2.67 3.83 0.63 1.48 0.00 -1.26 -5.02 121.76 118.75 2k3u s ALA 81 Ca 0.66 -1.09 0.36 0.00 0.00 0.00 0.00 51.96 51.89 2k3u s ALA 81 Cb -0.22 -2.00 2.03 0.00 0.00 0.00 0.00 23.12 22.92 2k3u s ALA 81 CO 0.59 -0.12 2.24 0.93 0.00 0.00 0.00 175.76 179.40 2k3u h GLU 82 N 0.70 0.00 -0.66 0.00 4.39 -1.99 -2.42 114.58 114.60 2k3u h GLU 82 Ca -0.48 0.00 0.02 0.00 0.34 0.00 0.00 59.36 59.23 2k3u h GLU 82 Cb 1.24 0.00 -0.04 0.00 -0.10 0.00 0.00 28.75 29.85 2k3u h GLU 82 CO 0.58 0.00 0.43 0.22 -1.16 0.00 0.00 179.01 179.08 2k3u h ASP 83 N 0.00 0.72 -0.09 1.42 3.58 -1.97 -2.04 116.42 118.04 2k3u h ASP 83 Ca 0.02 -0.01 -0.09 0.00 0.42 0.00 0.00 57.03 57.37 2k3u h ASP 83 Cb 0.17 -0.17 -0.01 0.00 1.72 0.00 0.00 39.33 41.03 2k3u h ASP 83 CO -0.00 0.51 -0.20 0.03 -2.88 0.00 0.00 179.24 176.71 2k3u h ARG 84 N 0.86 0.48 0.00 0.28 3.08 -1.82 -1.23 114.38 116.03 2k3u h ARG 84 Ca 0.25 -0.16 0.00 0.00 0.07 0.00 0.00 59.98 60.14 2k3u h ARG 84 Cb -0.05 -0.04 0.00 0.00 0.08 0.00 0.00 29.97 29.96 2k3u h ARG 84 CO -0.07 0.66 0.00 1.63 -1.07 0.00 0.00 179.97 181.12 2k3u n LYS 85 N -4.16 0.05 0.00 0.04 5.02 -0.79 -0.68 118.16 117.64 2k3u n LYS 85 Ca 0.00 0.45 0.00 0.00 -2.02 0.00 0.00 58.31 56.74 2k3u n LYS 85 Cb 0.37 -1.62 0.00 0.00 -0.02 0.00 0.00 35.03 33.76 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 -1.72 0.60 -4.63 4.39 3.02 -0.77 -4.71 115.26 111.44 2k3u n ASN 86 Ca 0.01 -1.04 -0.40 0.00 -0.03 0.00 0.00 54.58 53.12 2k3u n ASN 86 Cb 0.07 0.00 -0.07 0.00 -0.61 0.00 0.00 39.78 39.17 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 -0.04 5.03 -0.67 2.41 0.11 -0.54 -5.00 120.40 121.71 2k3u s VAL 87 Ca 0.00 1.00 -0.27 0.00 -2.93 0.00 0.00 61.98 59.78 2k3u s VAL 87 Cb 0.00 -3.88 0.02 0.00 -1.53 0.00 0.00 36.38 30.99 2k3u s VAL 87 CO 0.00 0.07 1.42 -1.61 -3.33 0.00 0.00 175.10 171.65 2k3u s GLU 88 N 2.33 3.12 -0.29 1.54 0.41 -1.26 -2.83 118.70 121.72 2k3u s GLU 88 Ca 0.24 0.11 -0.41 0.00 -0.41 0.00 0.00 54.97 54.50 2k3u s GLU 88 Cb -0.16 -4.20 -0.16 0.00 -1.78 0.00 0.00 34.13 27.83 2k3u s GLU 88 CO 0.09 -2.20 1.72 1.28 -0.49 0.00 0.00 175.26 175.67 2k3u n LEU 89 N 10.05 2.27 0.10 1.80 4.77 -0.02 -4.87 117.00 131.11 2k3u n LEU 89 Ca 0.09 1.08 0.15 0.00 -0.03 0.00 0.00 56.01 57.31 2k3u n LEU 89 Cb 0.50 -1.12 0.67 0.00 -2.33 0.00 0.00 43.42 41.14 2k3u n LEU 89 CO 0.71 -0.48 1.14 -0.07 -1.33 0.00 0.00 177.39 177.36 2k3u h LEU 90 N 6.97 0.00 0.00 2.23 3.38 -1.90 -3.46 115.31 122.53 2k3u h LEU 90 Ca -0.46 0.00 -0.22 0.00 0.09 0.00 0.00 57.88 57.29 2k3u h LEU 90 Cb 1.32 0.00 -0.05 0.00 0.09 0.00 0.00 40.66 42.02 2k3u h LEU 90 CO 0.96 0.00 -0.05 0.61 0.09 0.00 0.00 178.44 180.04 2k3u n GLY 91 N -1.60 1.88 3.76 0.83 0.00 -1.21 -4.68 105.19 104.17 2k3u n GLY 91 Ca 0.05 -1.53 -0.34 0.00 0.00 0.00 0.00 46.02 44.19 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 -2.63 2.96 -1.08 1.61 2.47 -1.26 -4.59 119.74 117.21 2k3u s LYS 92 Ca 0.26 1.56 -0.18 0.00 -1.56 0.00 0.00 55.97 56.05 2k3u s LYS 92 Cb -0.02 -1.96 -0.07 0.00 -1.46 0.00 0.00 37.83 34.33 2k3u s LYS 92 CO 0.18 -1.16 2.06 -0.12 0.16 0.00 0.00 175.35 176.48 2k3u n MET 93 N -1.93 2.11 -0.09 4.03 0.00 -0.68 -1.72 117.12 118.83 2k3u n MET 93 Ca 0.12 -2.20 -0.08 0.00 0.00 0.00 0.00 57.70 55.54 2k3u n MET 93 Cb 0.51 -3.09 -0.00 0.00 0.00 0.00 0.00 33.22 30.63 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 7.07 0.34 -3.84 1.12 3.20 -1.33 -3.08 116.97 120.45 2k3u h TYR 94 Ca 0.49 0.01 -0.10 0.00 3.14 0.00 0.00 58.73 62.27 2k3u h TYR 94 Cb 0.66 -0.11 -0.13 0.00 1.54 0.00 0.00 36.73 38.70 2k3u h TYR 94 CO 1.34 0.20 -0.31 0.15 -1.64 0.00 0.00 178.16 177.90 2k3u s LYS 95 N -6.16 1.12 -0.04 1.82 1.02 -0.32 -0.49 119.74 116.69 2k3u s LYS 95 Ca -0.13 -1.12 -0.09 0.00 0.02 0.00 0.00 55.97 54.65 2k3u s LYS 95 Cb 0.10 0.38 0.02 0.00 -0.52 0.00 0.00 37.83 37.81 2k3u s LYS 95 CO 0.71 -0.41 0.21 0.99 -0.92 0.00 0.00 175.35 175.94 2k3u s THR 96 N -3.95 0.04 0.04 2.17 2.01 -0.17 -1.48 115.64 114.30 2k3u s THR 96 Ca 0.15 -0.33 0.03 0.00 0.31 0.00 0.00 61.69 61.85 2k3u s THR 96 Cb 0.03 -0.42 -0.02 0.00 0.01 0.00 0.00 72.50 72.11 2k3u s THR 96 CO -0.02 -0.18 -0.09 -0.31 -0.69 0.00 0.00 174.62 173.33 2k3u s TYR 97 N -0.68 0.79 0.01 4.92 1.51 -0.01 -0.94 117.35 122.95 2k3u s TYR 97 Ca -0.08 -0.39 0.01 0.00 -1.01 0.00 0.00 57.07 55.61 2k3u s TYR 97 Cb -0.04 -0.47 -0.01 0.00 -0.11 0.00 0.00 41.96 41.32 2k3u s TYR 97 CO 0.01 -0.03 -0.05 -0.06 -1.11 0.00 0.00 175.55 174.31 2k3u s PHE 98 N -1.02 0.43 -0.08 2.71 0.40 0.17 -0.63 117.98 119.95 2k3u s PHE 98 Ca -0.05 -0.25 -0.01 0.00 -0.60 0.00 0.00 56.93 56.03 2k3u s PHE 98 Cb -0.08 -0.27 0.03 0.00 0.51 0.00 0.00 43.02 43.21 2k3u s PHE 98 CO 0.01 -0.05 -0.03 -0.06 0.70 0.00 0.00 175.22 175.79 2k3u s PHE 99 N -0.64 0.93 0.92 0.36 0.40 -0.64 -1.89 117.98 117.43 2k3u s PHE 99 Ca -0.04 -0.34 -0.12 0.00 -0.60 0.00 0.00 56.93 55.83 2k3u s PHE 99 Cb -0.05 -0.92 0.14 0.00 0.51 0.00 0.00 43.02 42.70 2k3u s PHE 99 CO -0.00 -0.37 1.09 0.15 0.70 0.00 0.00 175.22 176.79 2k3u s LYS 100 N 1.79 1.04 -0.83 0.44 1.02 -1.26 -0.90 119.74 121.04 2k3u s LYS 100 Ca 0.03 0.78 -0.32 0.00 0.02 0.00 0.00 55.97 56.48 2k3u s LYS 100 Cb -0.13 -1.79 -0.19 0.00 -0.52 0.00 0.00 37.83 35.21 2k3u s LYS 100 CO -0.06 -2.38 2.56 1.63 -0.92 0.00 0.00 175.35 176.18 2k3u n LYS 101 N -3.97 0.20 0.00 1.68 5.02 -0.55 -1.43 118.16 119.10 2k3u n LYS 101 Ca 0.07 0.02 0.00 0.00 -2.02 0.00 0.00 58.31 56.37 2k3u n LYS 101 Cb 0.56 -1.81 0.00 0.00 -0.02 0.00 0.00 35.03 33.75 2k3u n LYS 101 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 2k3u n GLY 102 N 6.57 0.96 3.61 0.72 0.00 -1.26 -5.08 105.19 110.71 2k3u n GLY 102 Ca 0.59 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 46.32 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 -0.79 0.31 0.00 1.61 2.02 -0.52 -5.00 118.70 116.33 2k3u s GLU 103 Ca 0.00 1.06 0.00 0.00 0.02 0.00 0.00 54.97 56.05 2k3u s GLU 103 Cb 0.00 -1.68 0.00 0.00 0.10 0.00 0.00 34.13 32.55 2k3u s GLU 103 CO 0.00 -2.96 0.47 -1.13 0.02 0.00 0.00 175.26 171.66 2k3u n SER 104 N -4.41 0.31 -3.93 -0.19 3.41 -1.26 -4.91 113.62 102.64 2k3u n SER 104 Ca 0.07 -1.13 -0.17 0.00 -0.26 0.00 0.00 58.87 57.37 2k3u n SER 104 Cb 0.54 0.00 -0.15 0.00 -0.26 0.00 0.00 64.21 64.34 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 -0.13 0.53 0.02 4.33 2.20 -1.26 -5.13 119.74 120.29 2k3u s LYS 105 Ca 0.00 -0.14 -0.30 0.00 -0.36 0.00 0.00 55.97 55.16 2k3u s LYS 105 Cb 0.00 -0.54 -0.05 0.00 -1.51 0.00 0.00 37.83 35.73 2k3u s LYS 105 CO 0.00 0.04 1.30 -1.54 -0.36 0.00 0.00 175.35 174.79 2k3u s SER 106 N 0.26 6.95 0.19 1.43 1.04 -1.26 -4.87 113.70 117.44 2k3u s SER 106 Ca -0.03 2.05 0.12 0.00 0.48 0.00 0.00 55.95 58.57 2k3u s SER 106 Cb -0.07 -2.57 -0.06 0.00 0.10 0.00 0.00 66.02 63.43 2k3u s SER 106 CO -0.00 -0.62 1.30 -1.28 0.98 0.00 0.00 173.24 173.62 2k3u h SER 107 N 7.36 0.00 -3.95 7.02 0.87 -1.78 -3.46 113.55 119.60 2k3u h SER 107 Ca -0.38 0.00 -0.44 0.00 -1.23 0.00 0.00 61.79 59.73 2k3u h SER 107 Cb 1.19 0.00 -0.30 0.00 -0.44 0.00 0.00 62.40 62.85 2k3u h SER 107 CO 0.87 0.69 -0.79 -0.47 -0.53 0.00 0.00 176.83 176.60 2k3u s TYR 108 N -2.86 1.05 0.11 2.24 5.04 -1.20 -5.04 117.35 116.69 2k3u s TYR 108 Ca 0.02 -0.24 -0.02 0.00 -2.44 0.00 0.00 57.07 54.38 2k3u s TYR 108 Cb 0.08 -0.72 -0.03 0.00 0.35 0.00 0.00 41.96 41.65 2k3u s TYR 108 CO 0.78 -0.07 0.07 0.14 -1.34 0.00 0.00 175.55 175.12 2k3u s VAL 109 N -0.01 0.13 -0.03 3.14 -7.23 -1.26 -0.66 120.40 114.48 2k3u s VAL 109 Ca -0.00 -1.78 -0.06 0.00 -1.81 0.00 0.00 61.98 58.33 2k3u s VAL 109 Cb -0.07 -1.83 0.01 0.00 0.56 0.00 0.00 36.38 35.05 2k3u s VAL 109 CO 0.00 -0.61 0.14 -0.63 -0.31 0.00 0.00 175.10 173.70 2k3u s ILE 110 N -3.99 0.04 0.28 -0.62 1.01 -0.11 -5.00 121.20 112.81 2k3u s ILE 110 Ca 0.17 -0.35 0.10 0.00 0.00 0.00 0.00 60.65 60.57 2k3u s ILE 110 Cb 0.07 -0.32 -0.05 0.00 0.01 0.00 0.00 42.46 42.16 2k3u s ILE 110 CO -0.03 -0.19 -0.14 0.54 0.00 0.00 0.00 174.94 175.12 2k3u s ASN 111 N -0.65 3.35 0.00 3.58 2.20 -1.26 -1.00 114.94 121.15 2k3u s ASN 111 Ca -0.07 -1.09 0.00 0.00 -0.94 0.00 0.00 52.86 50.75 2k3u s ASN 111 Cb -0.04 -0.27 0.00 0.00 -2.00 0.00 0.00 41.25 38.94 2k3u s ASN 111 CO 0.01 -0.11 0.00 0.61 -2.94 0.00 0.00 177.10 174.67 2k3u n GLY 112 N -0.62 1.52 3.73 0.45 0.00 0.36 -4.92 105.19 105.71 2k3u n GLY 112 Ca -0.06 -0.84 -0.41 0.00 0.00 0.00 0.00 46.02 44.71 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 -0.96 4.45 0.00 1.61 0.04 -1.17 -4.35 135.00 134.62 2k3u s PRO 113 Ca 0.00 1.88 0.00 0.00 0.04 0.00 0.00 61.00 62.92 2k3u s PRO 113 Cb 0.00 -3.26 0.00 0.00 0.04 0.00 0.00 34.50 31.28 2k3u s PRO 113 CO 0.00 -0.18 0.00 0.41 0.04 0.00 0.00 177.00 177.27 2k3u n GLY 114 N 2.62 0.58 4.99 0.56 0.00 -1.26 -1.69 105.19 110.99 2k3u n GLY 114 Ca 0.06 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.08 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 -3.46 1.61 4.81 -1.26 -4.79 118.16 115.08 2k3u n LYS 115 Ca 0.00 0.00 -0.12 0.00 -0.87 0.00 0.00 58.31 57.32 2k3u n LYS 115 Cb 0.00 -2.92 -0.03 0.00 0.02 0.00 0.00 35.03 32.10 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 -2.03 3.15 -1.32 -1.26 -5.03 115.64 109.15 2k3u s THR 116 Ca 0.00 0.00 0.29 0.00 -1.21 0.00 0.00 61.69 60.77 2k3u s THR 116 Cb 0.00 -1.00 0.54 0.00 -1.51 0.00 0.00 72.50 70.53 2k3u s THR 116 CO 0.00 0.00 1.83 0.59 -2.21 0.00 0.00 174.62 174.83 2k3u n ASN 117 N -0.13 0.84 -4.08 8.08 4.13 -1.26 -3.65 115.26 119.20 2k3u n ASN 117 Ca -0.15 -1.03 -0.34 0.00 1.68 0.00 0.00 54.58 54.74 2k3u n ASN 117 Cb 0.63 -0.00 -0.13 0.00 -1.54 0.00 0.00 39.78 38.74 2k3u n ASN 117 CO 0.00 0.00 0.00 -1.61 0.28 0.00 0.00 177.26 175.93 2k3u s GLU 118 N -2.23 1.83 -0.74 3.52 2.02 -1.26 -0.24 118.70 121.60 2k3u s GLU 118 Ca 0.35 -1.89 0.00 0.00 0.02 0.00 0.00 54.97 53.44 2k3u s GLU 118 Cb 0.21 -3.45 0.00 0.00 0.10 0.00 0.00 34.13 30.99 2k3u s GLU 118 CO 0.41 -1.03 0.00 0.98 0.02 0.00 0.00 175.26 175.64 2k3u n TYR 119 N 4.38 -1.39 -3.51 1.61 9.36 -1.26 -1.85 117.16 124.51 2k3u n TYR 119 Ca 0.01 0.00 -0.25 0.00 3.32 0.00 0.00 57.90 60.98 2k3u n TYR 119 Cb 0.41 -2.14 -0.01 0.00 -0.63 0.00 0.00 39.34 36.97 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 -1.81 -1.09 -1.04 2.98 0.00 -1.26 -4.92 120.51 113.36 2k3u n ALA 120 Ca -0.09 0.04 0.00 0.00 0.00 0.00 0.00 53.44 53.38 2k3u n ALA 120 Cb 0.51 -2.66 0.00 0.00 0.00 0.00 0.00 19.45 17.30 2k3u n ALA 120 CO 0.00 0.00 0.00 0.98 0.00 0.00 0.00 177.50 178.48