#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 3.55 0.00 6.41 0.15 -1.26 -5.00 113.70 117.56 2k3u s SER 32 Ca 0.00 0.59 0.00 0.00 0.70 0.00 0.00 55.95 57.24 2k3u s SER 32 Cb 0.00 -0.90 0.00 0.00 -1.71 0.00 0.00 66.02 63.41 2k3u s SER 32 CO 0.00 -2.49 0.00 0.61 1.20 0.00 0.00 173.24 172.56 2k3u n GLY 33 N -3.17 0.02 3.78 9.45 0.00 -1.26 -5.13 105.19 108.89 2k3u n GLY 33 Ca 0.11 -0.01 -0.39 0.00 0.00 0.00 0.00 46.02 45.73 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 -0.72 4.55 0.29 0.99 1.43 -1.26 -5.04 118.68 118.93 2k3u s LEU 34 Ca 0.00 1.59 -0.29 0.00 -1.03 0.00 0.00 54.13 54.39 2k3u s LEU 34 Cb 0.00 -3.31 -0.10 0.00 0.03 0.00 0.00 46.19 42.81 2k3u s LEU 34 CO 0.00 0.19 1.14 -2.16 0.23 0.00 0.00 176.35 175.75 2k3u s PRO 35 N -1.28 4.58 -0.32 1.29 0.04 -1.26 -4.95 135.00 133.10 2k3u s PRO 35 Ca 0.36 1.89 0.17 0.00 0.04 0.00 0.00 61.00 63.46 2k3u s PRO 35 Cb -0.22 -3.16 0.45 0.00 0.04 0.00 0.00 34.50 31.61 2k3u s PRO 35 CO 0.25 0.13 1.28 -2.37 0.04 0.00 0.00 177.00 176.33 2k3u n THR 36 N 1.11 0.59 -4.32 1.26 5.66 -1.26 -5.05 114.28 112.27 2k3u n THR 36 Ca -0.01 -2.04 -0.22 0.00 -3.05 0.00 0.00 64.05 58.73 2k3u n THR 36 Cb 0.44 1.06 -0.13 0.00 -1.55 0.00 0.00 70.33 70.16 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 -1.71 1.39 0.38 1.09 -4.23 -1.26 -0.59 115.64 110.72 2k3u s THR 37 Ca 0.20 -1.30 0.08 0.00 -1.18 0.00 0.00 61.69 59.49 2k3u s THR 37 Cb 0.40 -1.27 0.30 0.00 1.34 0.00 0.00 72.50 73.26 2k3u s THR 37 CO -0.07 -0.05 1.98 -0.07 -0.54 0.00 0.00 174.62 175.87 2k3u h LEU 38 N 4.45 0.57 -0.17 4.79 3.38 -1.42 -1.38 115.31 125.54 2k3u h LEU 38 Ca -0.42 0.00 0.04 0.00 0.09 0.00 0.00 57.88 57.59 2k3u h LEU 38 Cb 1.18 -0.12 -0.04 0.00 0.09 0.00 0.00 40.66 41.77 2k3u h LEU 38 CO 0.41 0.37 -0.08 1.23 0.09 0.00 0.00 178.44 180.46 2k3u h GLY 39 N 0.65 0.07 1.68 0.83 0.00 -1.03 0.21 103.07 105.49 2k3u h GLY 39 Ca 0.28 0.10 -0.18 0.00 0.00 0.00 0.00 47.33 47.53 2k3u h GLY 39 CO -0.09 -0.10 -0.75 0.50 0.00 0.00 0.00 176.54 176.10 2k3u h LYS 40 N -0.06 0.31 -0.13 4.80 1.57 -1.81 -2.50 116.57 118.74 2k3u h LYS 40 Ca 0.09 -0.27 -0.10 0.00 -1.87 0.00 0.00 60.65 58.50 2k3u h LYS 40 Cb 0.20 0.06 0.00 0.00 0.08 0.00 0.00 32.23 32.57 2k3u h LYS 40 CO -0.21 0.92 -0.31 1.25 -0.57 0.00 0.00 179.45 180.53 2k3u h LEU 41 N 0.20 0.51 -0.94 2.94 5.85 -1.08 -2.87 115.31 119.92 2k3u h LEU 41 Ca -0.03 -0.57 0.03 0.00 0.84 0.00 0.00 57.88 58.15 2k3u h LEU 41 Cb 1.33 -0.15 -0.06 0.00 0.37 0.00 0.00 40.66 42.16 2k3u h LEU 41 CO 0.12 0.99 0.62 -0.78 -0.34 0.00 0.00 178.44 179.05 2k3u h ASP 42 N 0.05 1.03 -0.45 1.25 3.58 -0.60 0.21 116.42 121.48 2k3u h ASP 42 Ca -0.00 -0.01 -0.04 0.00 0.42 0.00 0.00 57.03 57.40 2k3u h ASP 42 Cb 0.92 -0.23 -0.02 0.00 1.72 0.00 0.00 39.33 41.72 2k3u h ASP 42 CO 0.07 0.70 0.12 -0.08 -2.88 0.00 0.00 179.24 177.17 2k3u h GLU 43 N 1.19 0.72 -0.46 0.28 4.81 -1.52 -0.27 114.58 119.33 2k3u h GLU 43 Ca 0.38 -0.17 -0.07 0.00 -0.13 0.00 0.00 59.36 59.37 2k3u h GLU 43 Cb -0.00 -0.10 -0.02 0.00 0.63 0.00 0.00 28.75 29.27 2k3u h GLU 43 CO -0.12 0.71 0.03 -0.09 -0.73 0.00 0.00 179.01 178.82 2k3u h ARG 44 N 0.60 0.80 -0.40 1.92 2.43 -1.19 -2.73 114.38 115.81 2k3u h ARG 44 Ca 0.14 -0.24 -0.12 0.00 -0.81 0.00 0.00 59.98 58.96 2k3u h ARG 44 Cb 0.31 -0.08 -0.01 0.00 -0.42 0.00 0.00 29.97 29.77 2k3u h ARG 44 CO 0.00 0.83 -0.24 -0.07 -1.51 0.00 0.00 179.97 178.99 2k3u h LEU 45 N 0.65 0.83 -1.46 3.80 3.38 -0.40 0.32 115.31 122.43 2k3u h LEU 45 Ca 0.14 -0.31 -0.03 0.00 0.09 0.00 0.00 57.88 57.77 2k3u h LEU 45 Cb 0.45 -0.23 -0.01 0.00 0.09 0.00 0.00 40.66 40.96 2k3u h LEU 45 CO 0.02 1.03 0.02 0.03 0.09 0.00 0.00 178.44 179.63 2k3u h ARG 46 N 0.70 0.38 -0.14 1.13 3.08 -1.08 -1.43 114.38 117.01 2k3u h ARG 46 Ca 0.09 -0.06 -0.11 0.00 0.07 0.00 0.00 59.98 59.98 2k3u h ARG 46 Cb 0.76 -0.07 0.00 0.00 0.08 0.00 0.00 29.97 30.75 2k3u h ARG 46 CO 0.06 0.39 -0.32 -0.91 -1.07 0.00 0.00 179.97 178.12 2k3u h ASN 47 N 0.37 0.53 -0.51 7.04 2.35 -1.07 -3.22 115.58 121.08 2k3u h ASN 47 Ca 0.09 -0.57 0.13 0.00 -0.55 0.00 0.00 56.30 55.40 2k3u h ASN 47 Cb 0.21 -0.15 -0.02 0.00 0.05 0.00 0.00 38.32 38.40 2k3u h ASN 47 CO 0.00 1.00 0.36 1.88 -1.65 0.00 0.00 177.43 179.02 2k3u h TYR 48 N 0.09 0.11 -0.13 1.19 0.05 0.01 -0.10 116.97 118.19 2k3u h TYR 48 Ca 0.00 0.00 -0.02 0.00 0.05 0.00 0.00 58.73 58.77 2k3u h TYR 48 Cb 0.93 -0.04 -0.01 0.00 1.01 0.00 0.00 36.73 38.63 2k3u h TYR 48 CO 0.10 0.05 0.02 -0.07 -1.05 0.00 0.00 178.16 177.21 2k3u h LEU 49 N 0.10 0.22 -0.24 3.88 3.38 -1.29 -0.74 115.31 120.62 2k3u h LEU 49 Ca 0.24 -0.27 -0.11 0.00 0.09 0.00 0.00 57.88 57.83 2k3u h LEU 49 Cb 0.83 -0.06 -0.00 0.00 0.09 0.00 0.00 40.66 41.52 2k3u h LEU 49 CO -0.02 0.43 -0.30 0.11 0.09 0.00 0.00 178.44 178.75 2k3u h LYS 50 N -0.01 0.62 -0.78 1.13 1.57 -1.33 -2.31 116.57 115.47 2k3u h LYS 50 Ca 0.04 -0.35 0.05 0.00 -1.87 0.00 0.00 60.65 58.52 2k3u h LYS 50 Cb 0.31 0.02 -0.05 0.00 0.08 0.00 0.00 32.23 32.60 2k3u h LYS 50 CO 0.00 0.96 0.51 0.87 -0.57 0.00 0.00 179.45 181.22 2k3u h LYS 51 N 0.33 0.85 -0.01 3.15 1.79 -1.14 -3.36 116.57 118.18 2k3u h LYS 51 Ca 0.03 -0.05 0.00 0.00 -2.18 0.00 0.00 60.65 58.45 2k3u h LYS 51 Cb 0.87 -0.19 0.00 0.00 -1.58 0.00 0.00 32.23 31.33 2k3u h LYS 51 CO 0.07 0.56 -0.10 0.41 -1.08 0.00 0.00 179.45 179.32 2k3u n GLY 52 N -1.43 -0.36 3.42 3.86 0.00 -0.28 -5.00 105.19 105.40 2k3u n GLY 52 Ca 0.11 -0.24 -0.23 0.00 0.00 0.00 0.00 46.02 45.66 2k3u n GLY 52 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 2k3u s THR 53 N -0.99 2.22 0.34 2.61 -4.23 -0.88 -5.02 115.64 109.68 2k3u s THR 53 Ca 0.08 -2.27 0.14 0.00 -1.18 0.00 0.00 61.69 58.46 2k3u s THR 53 Cb 0.07 -2.17 0.09 0.00 1.34 0.00 0.00 72.50 71.82 2k3u s THR 53 CO 0.16 -0.41 1.80 0.11 -0.54 0.00 0.00 174.62 175.74 2k3u h LYS 54 N 2.53 0.00 -1.22 3.99 1.79 -1.90 -3.42 116.57 118.34 2k3u h LYS 54 Ca -0.40 0.00 -0.03 0.00 -2.18 0.00 0.00 60.65 58.03 2k3u h LYS 54 Cb 1.24 0.00 -0.23 0.00 -1.58 0.00 0.00 32.23 31.66 2k3u h LYS 54 CO 0.58 0.40 -0.42 0.54 -1.08 0.00 0.00 179.45 179.47 2k3u s ASN 55 N -6.81 -0.99 0.58 0.86 4.22 -1.26 -5.05 114.94 106.48 2k3u s ASN 55 Ca -0.02 0.07 0.35 0.00 -2.14 0.00 0.00 52.86 51.12 2k3u s ASN 55 Cb 0.14 1.76 1.71 0.00 1.28 0.00 0.00 41.25 46.14 2k3u s ASN 55 CO 0.72 -0.31 2.13 0.77 -2.04 0.00 0.00 177.10 178.36 2k3u h SER 56 N 8.05 0.00 -0.01 3.54 4.64 -1.81 -3.33 113.55 124.63 2k3u h SER 56 Ca -0.05 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.27 2k3u h SER 56 Cb 1.17 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 63.26 2k3u h SER 56 CO 0.19 0.04 0.02 0.00 -0.87 0.00 0.00 176.83 176.21 2k3u h ALA 57 N 1.96 1.33 0.00 5.18 0.00 -1.96 -2.15 119.26 123.62 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 0.31 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.10 2k3u h ALA 57 CO 0.01 -0.02 0.00 0.00 0.00 0.00 0.00 179.25 179.23 2k3u n GLN 58 N -3.53 0.22 -3.06 0.00 10.64 -1.25 -4.89 117.38 115.52 2k3u n GLN 58 Ca -0.03 0.25 -0.36 0.00 -1.83 0.00 0.00 57.00 55.03 2k3u n GLN 58 Cb 0.10 -1.79 -0.06 0.00 -0.86 0.00 0.00 30.24 27.62 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 -3.14 3.66 0.00 2.61 0.08 -0.81 -0.25 117.98 120.13 2k3u s PHE 59 Ca 0.09 1.44 0.00 0.00 0.12 0.00 0.00 56.93 58.58 2k3u s PHE 59 Cb 0.12 -2.66 0.00 0.00 -0.57 0.00 0.00 43.02 39.91 2k3u s PHE 59 CO 0.54 0.32 0.00 -1.91 -0.10 0.00 0.00 175.22 174.07 2k3u n GLU 60 N 0.71 1.85 -4.01 0.44 2.13 -0.18 -4.73 120.64 116.86 2k3u n GLU 60 Ca -0.02 0.00 -0.11 0.00 0.66 0.00 0.00 57.16 57.69 2k3u n GLU 60 Cb 0.51 -0.75 -0.04 0.00 0.27 0.00 0.00 31.44 31.43 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 -1.51 1.81 0.10 5.31 -2.85 -1.18 -0.28 119.74 121.14 2k3u s LYS 61 Ca 0.00 -1.50 -0.12 0.00 -1.00 0.00 0.00 55.97 53.34 2k3u s LYS 61 Cb 0.00 0.48 0.02 0.00 -2.06 0.00 0.00 37.83 36.27 2k3u s LYS 61 CO 0.00 -0.77 0.29 0.00 0.10 0.00 0.00 175.35 174.97 2k3u s MET 62 N -3.33 0.93 -0.03 1.78 0.23 -0.01 -1.76 119.30 117.11 2k3u s MET 62 Ca 0.25 -0.80 -0.02 0.00 -1.03 0.00 0.00 55.69 54.08 2k3u s MET 62 Cb -0.01 0.39 0.01 0.00 -1.53 0.00 0.00 34.83 33.70 2k3u s MET 62 CO 0.14 -0.33 0.07 0.54 -2.03 0.00 0.00 175.02 173.42 2k3u s VAL 63 N -3.68 -0.02 -0.15 5.16 0.11 0.22 -0.54 120.40 121.51 2k3u s VAL 63 Ca 0.03 0.06 0.02 0.00 -2.93 0.00 0.00 61.98 59.16 2k3u s VAL 63 Cb 0.03 -0.12 0.01 0.00 -1.53 0.00 0.00 36.38 34.77 2k3u s VAL 63 CO -0.11 0.02 -0.21 -0.63 -3.33 0.00 0.00 175.10 170.84 2k3u s ILE 64 N 0.36 2.08 -0.10 7.04 1.01 0.05 -0.99 121.20 130.65 2k3u s ILE 64 Ca -0.03 -0.97 0.03 0.00 0.00 0.00 0.00 60.65 59.69 2k3u s ILE 64 Cb -0.04 -1.84 -0.00 0.00 0.01 0.00 0.00 42.46 40.59 2k3u s ILE 64 CO -0.01 0.55 -0.22 -0.76 0.00 0.00 0.00 174.94 174.49 2k3u s LEU 65 N 0.91 2.21 0.38 2.97 1.43 0.02 -1.59 118.68 125.01 2k3u s LEU 65 Ca -0.05 -0.51 0.05 0.00 -1.03 0.00 0.00 54.13 52.59 2k3u s LEU 65 Cb -0.15 -1.44 -0.06 0.00 0.03 0.00 0.00 46.19 44.56 2k3u s LEU 65 CO -0.04 0.17 0.04 0.42 0.23 0.00 0.00 176.35 177.17 2k3u s THR 66 N 0.30 1.45 1.01 5.49 -4.23 -0.90 -1.39 115.64 117.37 2k3u s THR 66 Ca -0.16 -2.00 -0.15 0.00 -1.18 0.00 0.00 61.69 58.20 2k3u s THR 66 Cb -0.17 -2.78 0.05 0.00 1.34 0.00 0.00 72.50 70.94 2k3u s THR 66 CO 0.08 0.00 0.20 -0.62 -0.54 0.00 0.00 174.62 173.74 2k3u n GLU 67 N -0.87 -0.72 -2.74 3.99 1.02 -0.46 -3.69 120.64 117.17 2k3u n GLU 67 Ca -0.05 -0.18 -0.21 0.00 -0.02 0.00 0.00 57.16 56.70 2k3u n GLU 67 Cb 0.67 -1.76 0.02 0.00 -0.02 0.00 0.00 31.44 30.34 2k3u n GLU 67 CO 0.00 0.00 0.00 0.09 1.18 0.00 0.00 177.13 178.40 2k3u n ASN 68 N -1.19 -5.94 -2.58 1.62 3.02 -0.69 -3.24 115.26 106.26 2k3u n ASN 68 Ca 0.04 -0.17 -0.16 0.00 -0.03 0.00 0.00 54.58 54.26 2k3u n ASN 68 Cb 0.57 -4.83 -0.00 0.00 -0.61 0.00 0.00 39.78 34.90 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 -3.53 -2.46 -2.07 3.52 5.02 0.06 -4.88 118.16 113.82 2k3u n LYS 69 Ca -0.17 0.70 -0.41 0.00 -2.02 0.00 0.00 58.31 56.41 2k3u n LYS 69 Cb 0.65 -5.35 -0.02 0.00 -0.02 0.00 0.00 35.03 30.29 2k3u n LYS 69 CO 0.00 0.00 0.00 0.20 -0.52 0.00 0.00 177.40 177.08 2k3u s GLY 70 N -2.16 2.90 -0.15 0.72 0.00 -1.20 -4.95 107.32 102.48 2k3u s GLY 70 Ca 0.07 1.30 -0.06 0.00 0.00 0.00 0.00 44.72 46.03 2k3u s GLY 70 CO 0.08 2.00 0.33 -0.47 0.00 0.00 0.00 173.10 175.04 2k3u s TYR 71 N -0.98 -0.53 -0.12 1.90 6.14 -1.26 -2.12 117.35 120.39 2k3u s TYR 71 Ca 0.51 1.13 -0.04 0.00 0.64 0.00 0.00 57.07 59.31 2k3u s TYR 71 Cb -0.41 0.12 0.06 0.00 0.42 0.00 0.00 41.96 42.15 2k3u s TYR 71 CO 0.53 -0.36 0.16 0.71 0.64 0.00 0.00 175.55 177.23 2k3u s TYR 72 N 2.05 -0.15 -0.12 4.97 1.51 -0.62 -4.98 117.35 120.02 2k3u s TYR 72 Ca -0.04 0.41 -0.06 0.00 -1.01 0.00 0.00 57.07 56.38 2k3u s TYR 72 Cb -0.11 -0.34 -0.04 0.00 -0.11 0.00 0.00 41.96 41.36 2k3u s TYR 72 CO -0.10 -0.37 0.11 -0.08 -1.11 0.00 0.00 175.55 173.99 2k3u s THR 73 N 2.28 5.21 -0.08 -0.71 -1.32 -1.26 -0.77 115.64 118.98 2k3u s THR 73 Ca 0.04 0.10 -0.03 0.00 -1.21 0.00 0.00 61.69 60.58 2k3u s THR 73 Cb -0.13 -3.26 0.05 0.00 -1.51 0.00 0.00 72.50 67.65 2k3u s THR 73 CO -0.07 0.61 0.15 -0.69 -2.21 0.00 0.00 174.62 172.40 2k3u s VAL 74 N -0.93 -0.24 0.21 5.08 1.01 0.30 -4.99 120.40 120.85 2k3u s VAL 74 Ca 0.14 0.34 -0.30 0.00 0.00 0.00 0.00 61.98 62.17 2k3u s VAL 74 Cb -0.12 -0.29 -0.08 0.00 0.00 0.00 0.00 36.38 35.89 2k3u s VAL 74 CO 0.03 0.14 1.03 -0.31 0.00 0.00 0.00 175.10 175.99 2k3u s TYR 75 N 2.27 3.74 -0.57 5.22 2.02 -1.26 -0.83 117.35 127.93 2k3u s TYR 75 Ca 0.03 1.75 0.22 0.00 -0.37 0.00 0.00 57.07 58.71 2k3u s TYR 75 Cb -0.12 -3.16 -0.06 0.00 -0.40 0.00 0.00 41.96 38.22 2k3u s TYR 75 CO -0.06 -0.17 0.92 1.28 -1.57 0.00 0.00 175.55 175.95 2k3u n LEU 76 N 1.85 0.58 0.00 -1.29 4.77 0.62 -3.99 117.00 119.54 2k3u n LEU 76 Ca 0.00 -0.09 0.04 0.00 -0.03 0.00 0.00 56.01 55.94 2k3u n LEU 76 Cb 0.46 -0.06 0.21 0.00 -2.33 0.00 0.00 43.42 41.70 2k3u n LEU 76 CO 0.52 0.07 0.63 0.59 -1.33 0.00 0.00 177.39 177.87 2k3u n ASN 77 N -1.95 0.00 -4.09 -1.43 4.13 -1.17 -4.82 115.26 105.93 2k3u n ASN 77 Ca 0.01 0.42 -0.12 0.00 1.68 0.00 0.00 54.58 56.56 2k3u n ASN 77 Cb 0.44 -0.45 -0.11 0.00 -1.54 0.00 0.00 39.78 38.12 2k3u n ASN 77 CO 0.00 0.00 0.00 0.42 0.28 0.00 0.00 177.26 177.96 2k3u s THR 78 N -2.90 0.59 0.68 3.41 -4.23 -1.26 -5.16 115.64 106.79 2k3u s THR 78 Ca 0.06 -1.33 -0.16 0.00 -1.18 0.00 0.00 61.69 59.08 2k3u s THR 78 Cb 0.06 -0.92 0.01 0.00 1.34 0.00 0.00 72.50 72.99 2k3u s THR 78 CO 0.16 -0.52 1.20 -2.84 -0.54 0.00 0.00 174.62 172.08 2k3u s PRO 79 N -2.22 2.44 0.23 3.99 0.02 -1.26 -4.93 135.00 133.27 2k3u s PRO 79 Ca -0.04 1.75 -0.30 0.00 0.02 0.00 0.00 61.00 62.44 2k3u s PRO 79 Cb -0.06 -1.87 -0.09 0.00 0.02 0.00 0.00 34.50 32.50 2k3u s PRO 79 CO -0.01 -1.60 1.30 -0.48 -0.33 0.00 0.00 177.00 175.87 2k3u s LEU 80 N -4.81 4.43 0.20 -5.54 2.34 -1.26 -5.01 118.68 109.02 2k3u s LEU 80 Ca 0.75 2.46 -0.32 0.00 0.06 0.00 0.00 54.13 57.08 2k3u s LEU 80 Cb -0.29 -3.62 -0.11 0.00 -0.56 0.00 0.00 46.19 41.61 2k3u s LEU 80 CO 0.42 -0.50 1.68 0.00 -1.06 0.00 0.00 176.35 176.88 2k3u s ALA 81 N -0.25 3.89 0.61 1.48 0.00 -1.26 -4.92 121.76 121.31 2k3u s ALA 81 Ca 0.54 1.53 0.39 0.00 0.00 0.00 0.00 51.96 54.42 2k3u s ALA 81 Cb -0.37 -3.67 2.16 0.00 0.00 0.00 0.00 23.12 21.24 2k3u s ALA 81 CO 0.42 -0.88 2.31 1.05 0.00 0.00 0.00 175.76 178.65 2k3u h GLU 82 N 6.77 0.00 0.00 0.00 9.09 -2.03 -2.39 114.58 126.01 2k3u h GLU 82 Ca -0.43 0.00 -0.00 0.00 0.05 0.00 0.00 59.36 58.98 2k3u h GLU 82 Cb 1.20 0.00 -0.00 0.00 -1.65 0.00 0.00 28.75 28.30 2k3u h GLU 82 CO 0.94 0.01 -0.01 -0.44 0.05 0.00 0.00 179.01 179.56 2k3u h ASP 83 N 0.00 0.00 0.03 3.06 3.32 -2.01 -1.25 116.42 119.57 2k3u h ASP 83 Ca -0.00 0.00 -0.00 0.00 0.02 0.00 0.00 57.03 57.05 2k3u h ASP 83 Cb 0.04 0.00 -0.00 0.00 0.22 0.00 0.00 39.33 39.59 2k3u h ASP 83 CO 0.00 0.01 -0.01 0.03 -1.72 0.00 0.00 179.24 177.55 2k3u h ARG 84 N 0.00 0.00 0.00 3.56 3.08 -1.82 -0.73 114.38 118.47 2k3u h ARG 84 Ca -0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.05 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 0.00 0.01 0.00 0.87 -1.07 0.00 0.00 179.97 179.79 2k3u h LYS 85 N 0.00 0.00 0.00 0.04 1.57 -1.43 0.12 116.57 116.87 2k3u h LYS 85 Ca -0.00 0.00 -0.11 0.00 -1.87 0.00 0.00 60.65 58.67 2k3u h LYS 85 Cb 0.03 0.00 -0.02 0.00 0.08 0.00 0.00 32.23 32.32 2k3u h LYS 85 CO 0.00 0.00 -1.82 0.09 -0.57 0.00 0.00 179.45 177.15 2k3u n ASN 86 N -2.41 1.50 -4.63 0.86 4.13 -0.34 -4.67 115.26 109.69 2k3u n ASN 86 Ca 0.02 0.00 -0.43 0.00 1.68 0.00 0.00 54.58 55.85 2k3u n ASN 86 Cb 0.24 1.33 -0.03 0.00 -1.54 0.00 0.00 39.78 39.79 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 -2.75 3.54 0.13 2.41 0.11 -0.83 -4.99 120.40 118.02 2k3u s VAL 87 Ca -0.06 0.61 -0.30 0.00 -2.93 0.00 0.00 61.98 59.30 2k3u s VAL 87 Cb 0.07 -3.53 -0.07 0.00 -1.53 0.00 0.00 36.38 31.32 2k3u s VAL 87 CO 0.61 -0.20 1.17 -1.61 -3.33 0.00 0.00 175.10 171.74 2k3u s GLU 88 N 4.76 4.49 0.61 1.54 2.02 -1.26 -2.96 118.70 127.90 2k3u s GLU 88 Ca 0.77 1.79 -0.18 0.00 0.02 0.00 0.00 54.97 57.36 2k3u s GLU 88 Cb -0.29 -3.30 -0.03 0.00 0.10 0.00 0.00 34.13 30.62 2k3u s GLU 88 CO 0.31 -0.12 1.20 -0.51 0.02 0.00 0.00 175.26 176.16 2k3u s LEU 89 N 0.29 3.62 0.45 1.80 1.43 0.25 -4.96 118.68 121.56 2k3u s LEU 89 Ca 0.54 2.35 0.19 0.00 -1.03 0.00 0.00 54.13 56.19 2k3u s LEU 89 Cb -0.30 -4.59 1.06 0.00 0.03 0.00 0.00 46.19 42.38 2k3u s LEU 89 CO 0.33 -1.63 1.95 -0.07 0.23 0.00 0.00 176.35 177.16 2k3u h LEU 90 N 0.75 0.00 0.00 1.79 3.38 -1.91 -3.48 115.31 115.85 2k3u h LEU 90 Ca -0.50 0.00 0.04 0.00 0.09 0.00 0.00 57.88 57.52 2k3u h LEU 90 Cb 1.29 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 42.03 2k3u h LEU 90 CO 0.55 0.23 0.21 0.61 0.09 0.00 0.00 178.44 180.12 2k3u n GLY 91 N -0.60 1.17 3.77 0.83 0.00 -1.22 -4.63 105.19 104.50 2k3u n GLY 91 Ca -0.02 -1.04 -0.37 0.00 0.00 0.00 0.00 46.02 44.59 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 3.56 -0.15 1.61 2.47 -1.26 -4.56 119.74 119.39 2k3u s LYS 92 Ca 0.08 1.87 -0.29 0.00 -1.56 0.00 0.00 55.97 56.08 2k3u s LYS 92 Cb -0.01 -2.33 -0.06 0.00 -1.46 0.00 0.00 37.83 33.97 2k3u s LYS 92 CO 0.03 -0.74 2.15 1.41 0.16 0.00 0.00 175.35 178.36 2k3u s MET 93 N -2.80 3.40 -0.15 4.03 -2.45 -1.26 -1.35 119.30 118.71 2k3u s MET 93 Ca 0.66 2.18 -0.14 0.00 -1.25 0.00 0.00 55.69 57.14 2k3u s MET 93 Cb -0.31 -4.32 -0.11 0.00 1.25 0.00 0.00 34.83 31.34 2k3u s MET 93 CO 0.37 -1.80 0.16 -0.92 1.05 0.00 0.00 175.02 173.88 2k3u h TYR 94 N 13.88 0.00 -3.46 4.11 3.20 -1.45 -0.82 116.97 132.43 2k3u h TYR 94 Ca -0.43 0.00 -0.10 0.00 3.14 0.00 0.00 58.73 61.33 2k3u h TYR 94 Cb 1.24 0.00 -0.17 0.00 1.54 0.00 0.00 36.73 39.34 2k3u h TYR 94 CO 0.95 0.59 -0.34 0.15 -1.64 0.00 0.00 178.16 177.87 2k3u s LYS 95 N -2.10 0.73 0.02 1.82 1.02 -0.83 -0.76 119.74 119.64 2k3u s LYS 95 Ca -0.16 -0.58 0.07 0.00 0.02 0.00 0.00 55.97 55.32 2k3u s LYS 95 Cb 0.02 0.31 -0.02 0.00 -0.52 0.00 0.00 37.83 37.61 2k3u s LYS 95 CO 0.36 -0.22 -0.20 0.99 -0.92 0.00 0.00 175.35 175.36 2k3u s THR 96 N -2.54 1.58 -0.05 2.17 2.01 0.24 -0.79 115.64 118.25 2k3u s THR 96 Ca -0.05 -1.02 0.03 0.00 0.31 0.00 0.00 61.69 60.96 2k3u s THR 96 Cb -0.01 -1.35 0.00 0.00 0.01 0.00 0.00 72.50 71.15 2k3u s THR 96 CO -0.04 0.30 -0.16 -0.31 -0.69 0.00 0.00 174.62 173.73 2k3u s TYR 97 N -0.65 1.65 0.02 4.92 1.51 -0.16 -1.19 117.35 123.45 2k3u s TYR 97 Ca 0.07 -0.54 0.04 0.00 -1.01 0.00 0.00 57.07 55.63 2k3u s TYR 97 Cb -0.08 -1.14 -0.02 0.00 -0.11 0.00 0.00 41.96 40.61 2k3u s TYR 97 CO 0.01 -0.22 -0.12 -0.06 -1.11 0.00 0.00 175.55 174.05 2k3u s PHE 98 N 0.27 1.04 -0.02 2.71 0.40 0.26 -0.61 117.98 122.04 2k3u s PHE 98 Ca -0.09 -0.28 0.02 0.00 -0.60 0.00 0.00 56.93 55.98 2k3u s PHE 98 Cb -0.13 -0.64 0.00 0.00 0.51 0.00 0.00 43.02 42.76 2k3u s PHE 98 CO 0.03 0.00 -0.07 -0.06 0.70 0.00 0.00 175.22 175.83 2k3u s PHE 99 N -0.60 0.70 0.95 0.36 0.40 -0.72 -2.72 117.98 116.35 2k3u s PHE 99 Ca 0.02 -0.16 -0.12 0.00 -0.60 0.00 0.00 56.93 56.08 2k3u s PHE 99 Cb -0.06 -0.51 0.16 0.00 0.51 0.00 0.00 43.02 43.12 2k3u s PHE 99 CO 0.00 -0.07 1.09 0.15 0.70 0.00 0.00 175.22 177.09 2k3u s LYS 100 N 0.19 0.79 -0.32 0.44 1.02 -1.26 -1.01 119.74 119.59 2k3u s LYS 100 Ca -0.02 0.92 -0.35 0.00 0.02 0.00 0.00 55.97 56.54 2k3u s LYS 100 Cb -0.07 -1.75 -0.11 0.00 -0.52 0.00 0.00 37.83 35.38 2k3u s LYS 100 CO -0.00 -2.59 2.16 1.63 -0.92 0.00 0.00 175.35 175.63 2k3u n LYS 101 N -4.13 1.21 -0.35 1.68 5.02 0.66 -0.98 118.16 121.26 2k3u n LYS 101 Ca 0.07 0.34 0.00 0.00 -2.02 0.00 0.00 58.31 56.70 2k3u n LYS 101 Cb 0.55 -2.53 0.00 0.00 -0.02 0.00 0.00 35.03 33.03 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 6.30 0.76 3.88 0.72 0.00 -1.26 -5.06 105.19 110.53 2k3u n GLY 102 Ca 0.39 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 46.07 2k3u n GLY 102 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 2k3u s GLU 103 N -0.60 3.61 -0.03 1.61 2.12 -0.15 -5.01 118.70 120.25 2k3u s GLU 103 Ca 0.00 -0.04 0.25 0.00 0.36 0.00 0.00 54.97 55.54 2k3u s GLU 103 Cb 0.00 -3.05 0.43 0.00 0.26 0.00 0.00 34.13 31.77 2k3u s GLU 103 CO 0.00 0.62 1.17 0.43 -0.54 0.00 0.00 175.26 176.94 2k3u n SER 104 N 1.01 1.09 -3.56 -1.70 7.64 -1.26 -4.66 113.62 112.18 2k3u n SER 104 Ca -0.10 -2.13 -0.20 0.00 1.01 0.00 0.00 58.87 57.45 2k3u n SER 104 Cb 0.53 -0.33 -0.15 0.00 -1.01 0.00 0.00 64.21 63.26 2k3u n SER 104 CO 0.00 0.00 0.00 -0.75 -3.01 0.00 0.00 175.04 171.28 2k3u s LYS 105 N -0.44 0.13 -0.36 1.43 2.20 -1.26 -5.12 119.74 116.33 2k3u s LYS 105 Ca 0.34 0.20 -0.29 0.00 -0.36 0.00 0.00 55.97 55.86 2k3u s LYS 105 Cb 0.38 -1.19 -0.07 0.00 -1.51 0.00 0.00 37.83 35.44 2k3u s LYS 105 CO -0.16 -0.59 2.30 -1.13 -0.36 0.00 0.00 175.35 175.42 2k3u n SER 106 N 5.31 2.67 0.29 1.43 3.41 -1.26 -4.86 113.62 120.60 2k3u n SER 106 Ca -0.06 0.00 0.17 0.00 -0.26 0.00 0.00 58.87 58.73 2k3u n SER 106 Cb 0.49 -1.50 0.78 0.00 -0.26 0.00 0.00 64.21 63.73 2k3u n SER 106 CO 0.00 0.00 0.00 -1.28 -0.16 0.00 0.00 175.04 173.60 2k3u h SER 107 N 16.04 0.00 -4.31 4.04 0.87 -1.92 -3.44 113.55 124.82 2k3u h SER 107 Ca -0.32 0.00 -0.55 0.00 -1.23 0.00 0.00 61.79 59.69 2k3u h SER 107 Cb 1.26 0.00 -0.28 0.00 -0.44 0.00 0.00 62.40 62.95 2k3u h SER 107 CO 1.05 0.03 -0.83 -0.47 -0.53 0.00 0.00 176.83 176.08 2k3u s TYR 108 N -3.82 1.61 0.04 2.24 5.04 -1.10 -5.05 117.35 116.31 2k3u s TYR 108 Ca -0.01 -0.33 -0.11 0.00 -2.44 0.00 0.00 57.07 54.19 2k3u s TYR 108 Cb 0.10 -1.00 0.01 0.00 0.35 0.00 0.00 41.96 41.42 2k3u s TYR 108 CO 0.53 0.01 0.23 0.14 -1.34 0.00 0.00 175.55 175.13 2k3u s VAL 109 N -0.58 0.10 -0.10 3.14 -7.23 -1.26 -0.57 120.40 113.89 2k3u s VAL 109 Ca 0.06 -0.81 -0.08 0.00 -1.81 0.00 0.00 61.98 59.34 2k3u s VAL 109 Cb -0.08 -0.91 0.03 0.00 0.56 0.00 0.00 36.38 35.99 2k3u s VAL 109 CO 0.00 -0.45 0.26 -0.63 -0.31 0.00 0.00 175.10 173.98 2k3u s ILE 110 N -2.54 -0.01 0.16 -0.62 1.01 -0.33 -5.02 121.20 113.85 2k3u s ILE 110 Ca -0.05 0.05 0.09 0.00 0.00 0.00 0.00 60.65 60.74 2k3u s ILE 110 Cb -0.01 -0.39 -0.04 0.00 0.01 0.00 0.00 42.46 42.03 2k3u s ILE 110 CO -0.04 0.02 -0.15 0.20 0.00 0.00 0.00 174.94 174.97 2k3u s ASN 111 N 0.55 3.97 0.32 3.58 0.01 -1.26 -0.59 114.94 121.51 2k3u s ASN 111 Ca -0.03 -0.62 0.01 0.00 -0.71 0.00 0.00 52.86 51.51 2k3u s ASN 111 Cb -0.05 -0.57 -0.02 0.00 0.41 0.00 0.00 41.25 41.02 2k3u s ASN 111 CO -0.03 0.14 0.36 -0.83 -1.51 0.00 0.00 177.10 175.23 2k3u s GLY 112 N -2.52 1.81 -0.01 0.66 0.00 0.06 -4.97 107.32 102.35 2k3u s GLY 112 Ca 0.21 -1.75 -0.00 0.00 0.00 0.00 0.00 44.72 43.18 2k3u s GLY 112 CO 0.12 -1.22 2.01 -1.55 0.00 0.00 0.00 173.10 172.46 2k3u n PRO 113 N -0.55 1.03 0.00 2.90 -0.04 -0.86 -4.12 135.00 133.36 2k3u n PRO 113 Ca 0.04 -0.05 -0.00 0.00 -0.04 0.00 0.00 63.50 63.44 2k3u n PRO 113 Cb 0.62 -1.02 -0.11 0.00 -0.04 0.00 0.00 33.50 32.95 2k3u n PRO 113 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 2k3u n GLY 114 N 1.47 -1.13 4.94 0.55 0.00 -0.37 -4.82 105.19 105.82 2k3u n GLY 114 Ca 0.01 -0.22 0.00 0.00 0.00 0.00 0.00 46.02 45.81 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 -2.77 0.00 -3.58 1.61 0.00 -1.26 -4.72 118.16 107.45 2k3u n LYS 115 Ca -0.13 0.00 -0.07 0.00 0.00 0.00 0.00 58.31 58.10 2k3u n LYS 115 Cb 0.86 -2.30 -0.02 0.00 0.00 0.00 0.00 35.03 33.57 2k3u n LYS 115 CO 0.00 0.00 0.00 -0.08 0.00 0.00 0.00 177.40 177.32 2k3u s THR 116 N -0.02 0.00 -0.40 3.15 -1.32 -1.26 -5.04 115.64 110.75 2k3u s THR 116 Ca 0.00 -0.23 0.23 0.00 -1.21 0.00 0.00 61.69 60.48 2k3u s THR 116 Cb 0.00 -1.32 0.01 0.00 -1.51 0.00 0.00 72.50 69.68 2k3u s THR 116 CO 0.00 0.00 1.14 0.78 -2.21 0.00 0.00 174.62 174.33 2k3u h ASN 117 N 2.00 0.00 -1.36 8.08 4.21 -1.86 -3.26 115.58 123.39 2k3u h ASN 117 Ca -0.24 -0.10 -0.73 0.00 1.21 0.00 0.00 56.30 56.44 2k3u h ASN 117 Cb 1.25 0.00 -0.13 0.00 -1.12 0.00 0.00 38.32 38.32 2k3u h ASN 117 CO 0.30 0.05 1.98 -0.62 -1.29 0.00 0.00 177.43 177.84 2k3u n GLU 118 N -2.45 3.32 -4.04 0.81 1.02 -1.26 -0.76 120.64 117.28 2k3u n GLU 118 Ca 0.01 -3.46 -0.33 0.00 -0.02 0.00 0.00 57.16 53.37 2k3u n GLU 118 Cb 0.50 -3.15 -0.02 0.00 -0.02 0.00 0.00 31.44 28.75 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 5.89 -1.53 -0.64 -0.32 9.36 -1.26 -4.83 117.16 123.83 2k3u n TYR 119 Ca 0.43 0.51 -0.27 0.00 3.32 0.00 0.00 57.90 61.89 2k3u n TYR 119 Cb 0.41 -3.23 -0.04 0.00 -0.63 0.00 0.00 39.34 35.85 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 -4.56 2.77 0.04 2.98 0.00 -1.26 -4.90 120.51 115.57 2k3u n ALA 120 Ca -0.24 -2.04 0.00 0.00 0.00 0.00 0.00 53.44 51.16 2k3u n ALA 120 Cb 0.65 -3.20 0.02 0.00 0.00 0.00 0.00 19.45 16.92 2k3u n ALA 120 CO 0.00 0.00 0.00 0.98 0.00 0.00 0.00 177.50 178.48