#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 -2.90 -0.95 6.41 2.88 -1.26 -5.07 113.62 112.74 2k3u n SER 32 Ca 0.00 0.73 -0.12 0.00 -1.33 0.00 0.00 58.87 58.14 2k3u n SER 32 Cb 0.00 2.83 -0.05 0.00 -0.75 0.00 0.00 64.21 66.24 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 -1.38 1.19 3.67 0.46 0.00 -1.26 -4.95 105.19 102.93 2k3u n GLY 33 Ca 0.00 -0.01 -0.47 0.00 0.00 0.00 0.00 46.02 45.54 2k3u n GLY 33 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 2k3u n LEU 34 N -1.41 3.61 -4.83 0.99 4.77 -1.26 -4.95 117.00 113.93 2k3u n LEU 34 Ca -0.12 0.94 -0.32 0.00 -0.03 0.00 0.00 56.01 56.47 2k3u n LEU 34 Cb 0.60 -1.41 -0.03 0.00 -2.33 0.00 0.00 43.42 40.26 2k3u n LEU 34 CO 0.19 -0.00 0.69 -2.16 -1.33 0.00 0.00 177.39 174.78 2k3u s PRO 35 N 4.24 3.82 0.00 3.23 0.04 -1.26 -4.97 135.00 140.09 2k3u s PRO 35 Ca 0.92 1.06 0.00 0.00 0.04 0.00 0.00 61.00 63.02 2k3u s PRO 35 Cb -0.63 -2.11 0.00 0.00 0.04 0.00 0.00 34.50 31.80 2k3u s PRO 35 CO 0.49 -0.38 0.63 -2.37 0.04 0.00 0.00 177.00 175.41 2k3u n THR 36 N -1.53 0.00 -4.05 1.26 5.66 -1.26 -5.09 114.28 109.26 2k3u n THR 36 Ca 0.07 0.00 -0.09 0.00 -3.05 0.00 0.00 64.05 60.98 2k3u n THR 36 Cb 0.54 0.21 -0.11 0.00 -1.55 0.00 0.00 70.33 69.42 2k3u n THR 36 CO 0.00 0.00 0.00 0.42 -3.05 0.00 0.00 175.07 172.44 2k3u s THR 37 N 0.00 0.27 0.48 1.09 -4.23 -1.26 -0.77 115.64 111.22 2k3u s THR 37 Ca 0.00 -1.38 0.18 0.00 -1.18 0.00 0.00 61.69 59.31 2k3u s THR 37 Cb 0.00 -0.93 0.33 0.00 1.34 0.00 0.00 72.50 73.25 2k3u s THR 37 CO 0.00 -0.71 2.03 -0.07 -0.54 0.00 0.00 174.62 175.33 2k3u h LEU 38 N 3.89 0.17 -1.91 4.79 3.38 -1.67 -2.63 115.31 121.33 2k3u h LEU 38 Ca -0.34 0.00 0.21 0.00 0.09 0.00 0.00 57.88 57.84 2k3u h LEU 38 Cb 1.18 -0.03 -0.03 0.00 0.09 0.00 0.00 40.66 41.87 2k3u h LEU 38 CO 0.53 0.11 0.62 1.23 0.09 0.00 0.00 178.44 181.02 2k3u h GLY 39 N 0.19 0.00 0.00 0.83 0.00 -1.54 -0.07 103.07 102.48 2k3u h GLY 39 Ca 0.20 0.00 -0.41 0.00 0.00 0.00 0.00 47.33 47.12 2k3u h GLY 39 CO -0.03 0.00 -2.44 0.28 0.00 0.00 0.00 176.54 174.34 2k3u n LYS 40 N -3.91 0.59 -0.28 4.80 5.02 -1.02 -4.48 118.16 118.89 2k3u n LYS 40 Ca 0.14 0.20 -0.05 0.00 -2.02 0.00 0.00 58.31 56.58 2k3u n LYS 40 Cb 0.88 -1.47 0.06 0.00 -0.02 0.00 0.00 35.03 34.49 2k3u n LYS 40 CO 0.00 0.00 0.00 1.25 -0.52 0.00 0.00 177.40 178.13 2k3u h LEU 41 N -0.49 0.91 -1.44 -0.35 5.85 -1.21 -2.20 115.31 116.38 2k3u h LEU 41 Ca -0.61 -0.06 0.03 0.00 0.84 0.00 0.00 57.88 58.08 2k3u h LEU 41 Cb 1.72 -0.23 -0.03 0.00 0.37 0.00 0.00 40.66 42.48 2k3u h LEU 41 CO -0.25 0.70 0.41 -0.78 -0.34 0.00 0.00 178.44 178.17 2k3u h ASP 42 N 1.04 0.63 0.45 1.25 1.82 -1.29 0.13 116.42 120.46 2k3u h ASP 42 Ca 0.27 -0.01 -0.14 0.00 -0.39 0.00 0.00 57.03 56.76 2k3u h ASP 42 Cb -0.05 -0.15 -0.01 0.00 0.68 0.00 0.00 39.33 39.80 2k3u h ASP 42 CO -0.05 0.44 -0.63 -0.08 -1.61 0.00 0.00 179.24 177.31 2k3u h GLU 43 N 0.73 0.17 -0.10 0.28 4.81 -1.62 -0.79 114.58 118.06 2k3u h GLU 43 Ca 0.25 -0.12 -0.22 0.00 -0.13 0.00 0.00 59.36 59.13 2k3u h GLU 43 Cb 0.07 0.02 0.01 0.00 0.63 0.00 0.00 28.75 29.48 2k3u h GLU 43 CO -0.07 0.74 -0.82 -0.09 -0.73 0.00 0.00 179.01 178.05 2k3u h ARG 44 N 0.12 0.65 -0.15 1.92 2.43 -0.97 -3.02 114.38 115.36 2k3u h ARG 44 Ca -0.01 -0.57 -0.13 0.00 -0.81 0.00 0.00 59.98 58.46 2k3u h ARG 44 Cb 1.13 0.13 -0.01 0.00 -0.42 0.00 0.00 29.97 30.80 2k3u h ARG 44 CO 0.09 1.18 -0.47 -0.07 -1.51 0.00 0.00 179.97 179.20 2k3u h LEU 45 N 0.43 0.42 -1.20 3.80 3.38 -0.54 0.18 115.31 121.78 2k3u h LEU 45 Ca -0.06 -0.20 -0.02 0.00 0.09 0.00 0.00 57.88 57.70 2k3u h LEU 45 Cb 1.44 -0.12 -0.03 0.00 0.09 0.00 0.00 40.66 42.04 2k3u h LEU 45 CO 0.16 0.82 0.33 0.03 0.09 0.00 0.00 178.44 179.87 2k3u h ARG 46 N 0.31 0.89 -0.26 1.13 3.08 -1.26 -1.31 114.38 116.95 2k3u h ARG 46 Ca 0.02 -0.10 -0.03 0.00 0.07 0.00 0.00 59.98 59.94 2k3u h ARG 46 Cb 0.94 -0.17 -0.01 0.00 0.08 0.00 0.00 29.97 30.80 2k3u h ARG 46 CO 0.08 0.67 0.04 -0.91 -1.07 0.00 0.00 179.97 178.78 2k3u h ASN 47 N 0.89 0.42 -0.49 7.04 2.35 -1.21 -2.71 115.58 121.87 2k3u h ASN 47 Ca 0.22 -0.26 0.11 0.00 -0.55 0.00 0.00 56.30 55.82 2k3u h ASN 47 Cb 0.05 -0.11 -0.03 0.00 0.05 0.00 0.00 38.32 38.29 2k3u h ASN 47 CO -0.03 0.58 0.34 1.88 -1.65 0.00 0.00 177.43 178.54 2k3u h TYR 48 N 0.24 0.20 0.06 1.19 0.05 -0.25 0.17 116.97 118.63 2k3u h TYR 48 Ca 0.08 0.01 -0.00 0.00 0.05 0.00 0.00 58.73 58.86 2k3u h TYR 48 Cb 0.34 -0.06 0.00 0.00 1.01 0.00 0.00 36.73 38.02 2k3u h TYR 48 CO 0.02 0.09 -0.03 -0.07 -1.05 0.00 0.00 178.16 177.12 2k3u h LEU 49 N 0.18 -0.07 -0.74 3.88 3.38 -1.08 -0.53 115.31 120.32 2k3u h LEU 49 Ca 0.23 -0.33 -0.12 0.00 0.09 0.00 0.00 57.88 57.74 2k3u h LEU 49 Cb 0.67 0.02 -0.01 0.00 0.09 0.00 0.00 40.66 41.43 2k3u h LEU 49 CO -0.04 0.30 -0.37 0.11 0.09 0.00 0.00 178.44 178.53 2k3u h LYS 50 N -0.46 0.53 0.00 1.13 1.57 -1.07 -1.29 116.57 116.98 2k3u h LYS 50 Ca -0.01 -0.25 0.00 0.00 -1.87 0.00 0.00 60.65 58.52 2k3u h LYS 50 Cb 0.40 -0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.71 2k3u h LYS 50 CO 0.01 0.82 -0.24 -0.22 -0.57 0.00 0.00 179.45 179.25 2k3u h LYS 51 N 0.44 0.00 0.00 3.15 3.64 -0.79 -3.39 116.57 119.62 2k3u h LYS 51 Ca 0.04 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.42 2k3u h LYS 51 Cb 0.85 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.67 2k3u h LYS 51 CO 0.07 0.00 0.00 0.41 -2.27 0.00 0.00 179.45 177.66 2k3u n GLY 52 N 1.20 -0.66 3.45 5.01 0.00 -0.21 -5.02 105.19 108.97 2k3u n GLY 52 Ca 0.04 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.84 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 -0.07 1.56 0.16 2.61 -4.23 -0.50 -4.99 115.64 110.19 2k3u s THR 53 Ca 0.00 -2.08 -0.01 0.00 -1.18 0.00 0.00 61.69 58.42 2k3u s THR 53 Cb 0.00 -2.58 -0.13 0.00 1.34 0.00 0.00 72.50 71.12 2k3u s THR 53 CO 0.00 -0.20 1.39 0.11 -0.54 0.00 0.00 174.62 175.38 2k3u h LYS 54 N 2.19 0.34 -2.36 3.99 1.57 -1.91 -3.44 116.57 116.95 2k3u h LYS 54 Ca -0.40 -0.32 -0.11 0.00 -1.87 0.00 0.00 60.65 57.95 2k3u h LYS 54 Cb 1.24 0.08 -0.28 0.00 0.08 0.00 0.00 32.23 33.35 2k3u h LYS 54 CO 0.69 0.99 -0.40 1.21 -0.57 0.00 0.00 179.45 181.37 2k3u s ASN 55 N -6.99 -0.14 0.18 0.86 2.47 -1.26 -5.05 114.94 105.01 2k3u s ASN 55 Ca -0.05 0.80 0.25 0.00 0.42 0.00 0.00 52.86 54.29 2k3u s ASN 55 Cb 0.10 1.29 0.60 0.00 -1.45 0.00 0.00 41.25 41.79 2k3u s ASN 55 CO 0.84 -0.25 1.58 -1.54 -3.72 0.00 0.00 177.10 174.01 2k3u n SER 56 N 5.38 0.79 0.12 -4.21 3.41 -1.26 -4.29 113.62 113.56 2k3u n SER 56 Ca -0.07 0.39 0.12 0.00 -0.26 0.00 0.00 58.87 59.04 2k3u n SER 56 Cb 0.50 -0.40 0.48 0.00 -0.26 0.00 0.00 64.21 64.53 2k3u n SER 56 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2k3u n ALA 57 N -1.81 1.67 0.30 7.33 0.00 -1.26 -2.15 120.51 124.60 2k3u n ALA 57 Ca 0.05 0.08 0.14 0.00 0.00 0.00 0.00 53.44 53.70 2k3u n ALA 57 Cb 0.44 -1.38 0.41 0.00 0.00 0.00 0.00 19.45 18.92 2k3u n ALA 57 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 177.50 176.94 2k3u h GLN 58 N 0.00 0.00 -6.94 0.00 3.07 -1.99 -3.46 115.11 105.79 2k3u h GLN 58 Ca 0.00 0.00 -0.47 0.00 0.09 0.00 0.00 58.65 58.27 2k3u h GLN 58 Cb 0.37 0.00 -0.02 0.00 0.08 0.00 0.00 27.48 27.91 2k3u h GLN 58 CO 0.00 0.00 0.24 -0.06 0.09 0.00 0.00 178.83 179.10 2k3u s PHE 59 N -3.37 3.36 0.00 0.06 0.08 -0.91 -0.85 117.98 116.34 2k3u s PHE 59 Ca 0.05 1.40 0.00 0.00 0.12 0.00 0.00 56.93 58.50 2k3u s PHE 59 Cb 0.08 -2.69 0.00 0.00 -0.57 0.00 0.00 43.02 39.83 2k3u s PHE 59 CO 0.59 -0.07 0.00 -1.91 -0.10 0.00 0.00 175.22 173.73 2k3u n GLU 60 N -0.71 0.79 -4.01 0.44 2.13 -0.54 -4.69 120.64 114.05 2k3u n GLU 60 Ca 0.05 0.00 -0.12 0.00 0.66 0.00 0.00 57.16 57.75 2k3u n GLU 60 Cb 0.54 -0.69 -0.03 0.00 0.27 0.00 0.00 31.44 31.53 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 -1.37 1.84 0.16 5.31 -2.85 -1.23 -0.44 119.74 121.16 2k3u s LYS 61 Ca 0.00 -1.54 -0.09 0.00 -1.00 0.00 0.00 55.97 53.35 2k3u s LYS 61 Cb 0.00 0.48 -0.01 0.00 -2.06 0.00 0.00 37.83 36.24 2k3u s LYS 61 CO 0.00 -0.78 0.27 0.00 0.10 0.00 0.00 175.35 174.93 2k3u s MET 62 N -3.25 1.13 -0.01 1.78 0.23 -0.47 -2.36 119.30 116.35 2k3u s MET 62 Ca 0.25 -1.17 -0.03 0.00 -1.03 0.00 0.00 55.69 53.72 2k3u s MET 62 Cb -0.01 0.37 -0.00 0.00 -1.53 0.00 0.00 34.83 33.66 2k3u s MET 62 CO 0.15 -0.41 0.06 0.54 -2.03 0.00 0.00 175.02 173.33 2k3u s VAL 63 N -3.96 0.04 -0.07 5.16 0.11 -0.31 -1.93 120.40 119.44 2k3u s VAL 63 Ca 0.17 -0.36 0.01 0.00 -2.93 0.00 0.00 61.98 58.87 2k3u s VAL 63 Cb 0.04 -0.20 0.02 0.00 -1.53 0.00 0.00 36.38 34.70 2k3u s VAL 63 CO -0.01 -0.20 -0.10 -0.63 -3.33 0.00 0.00 175.10 170.84 2k3u s ILE 64 N -0.60 1.02 -0.19 7.04 1.01 0.39 -0.70 121.20 129.16 2k3u s ILE 64 Ca -0.07 -0.38 -0.03 0.00 0.00 0.00 0.00 60.65 60.17 2k3u s ILE 64 Cb -0.04 -0.97 -0.01 0.00 0.01 0.00 0.00 42.46 41.45 2k3u s ILE 64 CO 0.00 0.34 -0.06 -0.76 0.00 0.00 0.00 174.94 174.46 2k3u s LEU 65 N 0.93 2.93 0.38 2.97 1.43 -0.10 -1.91 118.68 125.31 2k3u s LEU 65 Ca -0.10 -0.33 0.08 0.00 -1.03 0.00 0.00 54.13 52.75 2k3u s LEU 65 Cb -0.15 -1.72 -0.04 0.00 0.03 0.00 0.00 46.19 44.30 2k3u s LEU 65 CO 0.01 0.05 0.19 0.42 0.23 0.00 0.00 176.35 177.25 2k3u s THR 66 N 1.05 2.66 0.75 5.49 -4.23 -0.83 -1.32 115.64 119.21 2k3u s THR 66 Ca 0.01 -1.65 -0.16 0.00 -1.18 0.00 0.00 61.69 58.70 2k3u s THR 66 Cb -0.15 -2.98 -0.04 0.00 1.34 0.00 0.00 72.50 70.67 2k3u s THR 66 CO -0.00 -0.08 0.40 -0.62 -0.54 0.00 0.00 174.62 173.77 2k3u n GLU 67 N -1.24 0.19 -3.33 3.99 -0.58 -0.07 -3.13 120.64 116.48 2k3u n GLU 67 Ca -0.01 0.10 -0.24 0.00 -0.42 0.00 0.00 57.16 56.59 2k3u n GLU 67 Cb 0.63 -1.73 0.03 0.00 -0.57 0.00 0.00 31.44 29.79 2k3u n GLU 67 CO 0.00 0.00 0.00 0.09 -0.48 0.00 0.00 177.13 176.74 2k3u n ASN 68 N -0.02 -5.38 -2.36 1.62 3.02 -0.75 -3.03 115.26 108.37 2k3u n ASN 68 Ca 0.09 -0.42 -0.17 0.00 -0.03 0.00 0.00 54.58 54.05 2k3u n ASN 68 Cb 0.51 -4.34 -0.01 0.00 -0.61 0.00 0.00 39.78 35.33 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 -4.20 -1.92 -2.24 3.52 5.02 0.04 -4.89 118.16 113.49 2k3u n LYS 69 Ca -0.05 0.81 -0.36 0.00 -2.02 0.00 0.00 58.31 56.69 2k3u n LYS 69 Cb 0.58 -5.43 -0.00 0.00 -0.02 0.00 0.00 35.03 30.16 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 -2.06 2.72 -0.06 0.72 0.00 -1.23 -4.91 107.32 102.50 2k3u s GLY 70 Ca 0.00 0.91 -0.02 0.00 0.00 0.00 0.00 44.72 45.60 2k3u s GLY 70 CO 0.00 1.32 0.12 -0.47 0.00 0.00 0.00 173.10 174.07 2k3u s TYR 71 N -1.63 -0.11 -0.04 1.90 6.14 -1.26 -1.96 117.35 120.40 2k3u s TYR 71 Ca 0.68 0.44 -0.07 0.00 0.64 0.00 0.00 57.07 58.76 2k3u s TYR 71 Cb -0.27 -0.23 0.01 0.00 0.42 0.00 0.00 41.96 41.89 2k3u s TYR 71 CO 0.32 -0.19 0.16 0.71 0.64 0.00 0.00 175.55 177.19 2k3u s TYR 72 N 1.68 -0.10 -0.00 4.97 2.02 -0.80 -4.99 117.35 120.12 2k3u s TYR 72 Ca -0.03 0.22 0.02 0.00 -0.37 0.00 0.00 57.07 56.91 2k3u s TYR 72 Cb -0.12 0.02 -0.01 0.00 -0.40 0.00 0.00 41.96 41.45 2k3u s TYR 72 CO -0.05 -0.17 -0.06 -0.08 -1.57 0.00 0.00 175.55 173.61 2k3u s THR 73 N -0.52 0.50 -0.02 -0.71 -1.32 -1.26 -0.46 115.64 111.85 2k3u s THR 73 Ca -0.06 -0.30 -0.05 0.00 -1.21 0.00 0.00 61.69 60.06 2k3u s THR 73 Cb -0.04 -0.43 0.00 0.00 -1.51 0.00 0.00 72.50 70.52 2k3u s THR 73 CO 0.01 0.12 0.12 -0.69 -2.21 0.00 0.00 174.62 171.96 2k3u s VAL 74 N -0.20 0.05 0.08 5.08 1.01 -0.81 -5.01 120.40 120.61 2k3u s VAL 74 Ca 0.02 -0.44 -0.15 0.00 0.00 0.00 0.00 61.98 61.42 2k3u s VAL 74 Cb -0.03 -0.31 -0.06 0.00 0.00 0.00 0.00 36.38 35.97 2k3u s VAL 74 CO -0.00 -0.24 0.49 -0.31 0.00 0.00 0.00 175.10 175.04 2k3u s TYR 75 N -0.80 3.67 -0.83 5.22 1.51 -1.26 -1.37 117.35 123.49 2k3u s TYR 75 Ca -0.09 1.04 0.25 0.00 -1.01 0.00 0.00 57.07 57.26 2k3u s TYR 75 Cb -0.05 -2.33 0.54 0.00 -0.11 0.00 0.00 41.96 40.01 2k3u s TYR 75 CO 0.01 0.53 1.46 1.28 -1.11 0.00 0.00 175.55 177.71 2k3u n LEU 76 N 1.26 0.54 0.14 -1.29 4.77 0.42 -4.03 117.00 118.81 2k3u n LEU 76 Ca -0.09 0.19 0.17 0.00 -0.03 0.00 0.00 56.01 56.25 2k3u n LEU 76 Cb 0.52 -0.26 0.75 0.00 -2.33 0.00 0.00 43.42 42.10 2k3u n LEU 76 CO 0.41 0.02 1.15 0.78 -1.33 0.00 0.00 177.39 178.42 2k3u h ASN 77 N 0.00 0.00 -5.19 -1.43 2.35 -1.87 -3.45 115.58 105.99 2k3u h ASN 77 Ca 0.00 0.00 -0.08 0.00 -0.55 0.00 0.00 56.30 55.67 2k3u h ASN 77 Cb 0.62 0.00 -0.13 0.00 0.05 0.00 0.00 38.32 38.86 2k3u h ASN 77 CO 0.00 0.00 -0.27 0.42 -1.65 0.00 0.00 177.43 175.93 2k3u s THR 78 N -4.82 0.09 0.54 2.81 -4.23 -1.26 -5.15 115.64 103.61 2k3u s THR 78 Ca -0.05 -1.17 -0.20 0.00 -1.18 0.00 0.00 61.69 59.09 2k3u s THR 78 Cb 0.17 -1.59 -0.05 0.00 1.34 0.00 0.00 72.50 72.37 2k3u s THR 78 CO 0.63 -0.39 1.18 -2.16 -0.54 0.00 0.00 174.62 173.33 2k3u s PRO 79 N -3.91 3.31 0.64 3.99 0.04 -1.26 -4.83 135.00 132.98 2k3u s PRO 79 Ca 0.11 1.75 -0.16 0.00 0.04 0.00 0.00 61.00 62.74 2k3u s PRO 79 Cb 0.03 -2.08 -0.01 0.00 0.04 0.00 0.00 34.50 32.48 2k3u s PRO 79 CO -0.05 -0.92 1.14 -0.48 0.04 0.00 0.00 177.00 176.73 2k3u s LEU 80 N -3.70 3.49 0.74 -3.56 2.34 -1.26 -5.03 118.68 111.70 2k3u s LEU 80 Ca 0.72 2.14 -0.11 0.00 0.06 0.00 0.00 54.13 56.94 2k3u s LEU 80 Cb -0.28 -4.57 0.04 0.00 -0.56 0.00 0.00 46.19 40.82 2k3u s LEU 80 CO 0.32 -1.63 1.08 0.00 -1.06 0.00 0.00 176.35 175.06 2k3u s ALA 81 N -2.07 2.41 0.49 1.48 0.00 -1.26 -4.77 121.76 118.04 2k3u s ALA 81 Ca 0.71 0.23 0.26 0.00 0.00 0.00 0.00 51.96 53.16 2k3u s ALA 81 Cb -0.24 -3.25 1.33 0.00 0.00 0.00 0.00 23.12 20.97 2k3u s ALA 81 CO 0.38 -1.55 1.89 1.05 0.00 0.00 0.00 175.76 177.53 2k3u h GLU 82 N -0.89 0.14 0.00 0.00 4.11 -1.99 0.31 114.58 116.26 2k3u h GLU 82 Ca -0.44 -0.01 0.00 0.00 0.07 0.00 0.00 59.36 58.98 2k3u h GLU 82 Cb 1.23 -0.03 0.00 0.00 0.50 0.00 0.00 28.75 30.44 2k3u h GLU 82 CO 0.53 0.09 0.00 -0.25 0.07 0.00 0.00 179.01 179.46 2k3u n ASP 83 N -4.37 0.10 0.00 3.06 8.00 -1.26 -3.21 116.55 118.86 2k3u n ASP 83 Ca 0.18 0.52 0.00 0.00 0.71 0.00 0.00 54.79 56.20 2k3u n ASP 83 Cb 0.82 -0.55 0.00 0.00 -0.02 0.00 0.00 41.12 41.38 2k3u n ASP 83 CO 0.00 0.00 0.00 0.54 -0.39 0.00 0.00 177.20 177.35 2k3u n ARG 84 N -1.61 1.64 0.13 -1.24 1.74 -0.04 -4.19 116.66 113.09 2k3u n ARG 84 Ca 0.03 0.00 0.16 0.00 -0.77 0.00 0.00 57.85 57.27 2k3u n ARG 84 Cb 0.17 -0.98 0.70 0.00 -1.02 0.00 0.00 32.46 31.33 2k3u n ARG 84 CO 0.00 0.00 0.00 0.87 -1.52 0.00 0.00 177.63 176.98 2k3u h LYS 85 N 0.00 0.00 0.00 5.56 1.57 -1.14 -3.13 116.57 119.42 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 0.37 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.68 2k3u h LYS 85 CO 0.00 0.00 0.00 0.09 -0.57 0.00 0.00 179.45 178.97 2k3u n ASN 86 N -4.31 1.67 -4.72 0.86 4.13 -1.24 -3.32 115.26 108.33 2k3u n ASN 86 Ca 0.04 -1.81 -0.42 0.00 1.68 0.00 0.00 54.58 54.07 2k3u n ASN 86 Cb 0.38 0.00 -0.03 0.00 -1.54 0.00 0.00 39.78 38.59 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 -0.81 3.49 -0.21 2.41 0.11 -1.19 -5.00 120.40 119.20 2k3u s VAL 87 Ca 0.00 1.10 -0.29 0.00 -2.93 0.00 0.00 61.98 59.86 2k3u s VAL 87 Cb 0.00 -3.71 0.00 0.00 -1.53 0.00 0.00 36.38 31.14 2k3u s VAL 87 CO 0.00 0.11 1.13 -1.61 -3.33 0.00 0.00 175.10 171.40 2k3u s GLU 88 N 0.79 4.24 0.28 1.54 8.01 -1.26 -3.75 118.70 128.55 2k3u s GLU 88 Ca 0.61 1.47 -0.29 0.00 0.01 0.00 0.00 54.97 56.77 2k3u s GLU 88 Cb -0.35 -3.70 -0.10 0.00 -4.31 0.00 0.00 34.13 25.68 2k3u s GLU 88 CO 0.32 -0.67 1.37 -0.51 0.01 0.00 0.00 175.26 175.77 2k3u s LEU 89 N 3.35 4.41 0.51 1.80 1.43 0.05 -4.96 118.68 125.26 2k3u s LEU 89 Ca 0.49 2.66 0.28 0.00 -1.03 0.00 0.00 54.13 56.53 2k3u s LEU 89 Cb -0.18 -3.64 1.34 0.00 0.03 0.00 0.00 46.19 43.74 2k3u s LEU 89 CO 0.10 -0.61 2.00 -0.07 0.23 0.00 0.00 176.35 178.00 2k3u h LEU 90 N 4.25 0.00 0.00 1.79 3.38 -1.89 -3.48 115.31 119.36 2k3u h LEU 90 Ca -0.47 0.00 0.12 0.00 0.09 0.00 0.00 57.88 57.61 2k3u h LEU 90 Cb 1.22 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.95 2k3u h LEU 90 CO 0.72 0.13 0.33 0.61 0.09 0.00 0.00 178.44 180.32 2k3u n GLY 91 N -0.35 0.64 3.70 0.83 0.00 -1.17 -4.55 105.19 104.31 2k3u n GLY 91 Ca -0.01 -0.95 -0.39 0.00 0.00 0.00 0.00 46.02 44.67 2k3u n GLY 91 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 2k3u n LYS 92 N -0.35 1.62 -1.67 1.61 4.01 -1.26 -4.52 118.16 117.59 2k3u n LYS 92 Ca 0.01 0.59 -0.45 0.00 -0.51 0.00 0.00 58.31 57.95 2k3u n LYS 92 Cb 0.24 -2.43 -0.04 0.00 -0.51 0.00 0.00 35.03 32.29 2k3u n LYS 92 CO 0.00 0.00 0.00 -0.12 -1.11 0.00 0.00 177.40 176.17 2k3u n MET 93 N -0.65 2.14 0.00 1.97 0.00 -1.26 -0.89 117.12 118.43 2k3u n MET 93 Ca 0.10 0.77 0.00 0.00 -0.00 0.00 0.00 57.70 58.57 2k3u n MET 93 Cb 0.43 -2.51 0.00 0.00 0.00 0.00 0.00 33.22 31.15 2k3u n MET 93 CO 0.00 0.00 0.00 0.98 0.00 0.00 0.00 175.97 176.95 2k3u n TYR 94 N 2.94 0.00 -4.06 1.12 9.36 -0.64 -1.72 117.16 124.15 2k3u n TYR 94 Ca 0.15 0.00 -0.10 0.00 3.32 0.00 0.00 57.90 61.27 2k3u n TYR 94 Cb 0.30 0.00 -0.11 0.00 -0.63 0.00 0.00 39.34 38.90 2k3u n TYR 94 CO 0.00 0.00 0.00 0.15 0.22 0.00 0.00 176.86 177.23 2k3u s LYS 95 N -1.80 0.53 0.02 2.98 -0.14 -0.43 -1.07 119.74 119.82 2k3u s LYS 95 Ca 0.00 -0.89 0.02 0.00 -1.36 0.00 0.00 55.97 53.74 2k3u s LYS 95 Cb 0.00 -0.06 -0.01 0.00 -1.68 0.00 0.00 37.83 36.07 2k3u s LYS 95 CO 0.00 -0.02 -0.06 0.99 -0.76 0.00 0.00 175.35 175.50 2k3u s THR 96 N -2.23 0.42 -0.03 2.17 2.01 -0.32 -0.92 115.64 116.74 2k3u s THR 96 Ca -0.05 -0.61 0.05 0.00 0.31 0.00 0.00 61.69 61.39 2k3u s THR 96 Cb -0.04 -0.43 -0.01 0.00 0.01 0.00 0.00 72.50 72.03 2k3u s THR 96 CO -0.03 -0.14 -0.18 -0.31 -0.69 0.00 0.00 174.62 173.27 2k3u s TYR 97 N -0.72 1.72 0.02 4.92 1.51 0.12 -1.82 117.35 123.11 2k3u s TYR 97 Ca -0.04 -0.42 0.04 0.00 -1.01 0.00 0.00 57.07 55.64 2k3u s TYR 97 Cb -0.06 -1.14 -0.02 0.00 -0.11 0.00 0.00 41.96 40.64 2k3u s TYR 97 CO 0.00 -0.10 -0.12 -0.06 -1.11 0.00 0.00 175.55 174.16 2k3u s PHE 98 N -0.19 1.05 -0.05 2.71 0.40 0.12 -1.16 117.98 120.87 2k3u s PHE 98 Ca 0.01 -0.31 0.02 0.00 -0.60 0.00 0.00 56.93 56.06 2k3u s PHE 98 Cb -0.10 -0.64 0.01 0.00 0.51 0.00 0.00 43.02 42.81 2k3u s PHE 98 CO 0.01 0.01 -0.10 -0.06 0.70 0.00 0.00 175.22 175.77 2k3u s PHE 99 N -0.71 1.20 0.84 0.36 0.40 -1.00 -1.77 117.98 117.31 2k3u s PHE 99 Ca 0.01 -0.37 -0.11 0.00 -0.60 0.00 0.00 56.93 55.85 2k3u s PHE 99 Cb -0.07 -0.88 0.10 0.00 0.51 0.00 0.00 43.02 42.68 2k3u s PHE 99 CO 0.01 -0.19 1.09 0.15 0.70 0.00 0.00 175.22 176.98 2k3u s LYS 100 N 0.47 1.70 -0.48 0.44 3.01 -1.26 -1.46 119.74 122.16 2k3u s LYS 100 Ca -0.09 0.83 -0.33 0.00 -1.01 0.00 0.00 55.97 55.37 2k3u s LYS 100 Cb -0.13 -1.86 -0.12 0.00 -1.01 0.00 0.00 37.83 34.71 2k3u s LYS 100 CO 0.02 -1.94 2.31 0.36 0.51 0.00 0.00 175.35 176.60 2k3u n LYS 101 N -3.68 0.87 0.00 1.68 2.85 -0.03 -1.15 118.16 118.70 2k3u n LYS 101 Ca 0.07 0.19 0.00 0.00 -1.05 0.00 0.00 58.31 57.52 2k3u n LYS 101 Cb 0.55 -2.46 0.00 0.00 -0.65 0.00 0.00 35.03 32.47 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 6.48 0.90 3.92 2.58 0.00 -1.26 -5.07 105.19 112.74 2k3u n GLY 102 Ca 0.45 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 46.20 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 -0.56 3.58 -0.02 1.61 2.02 -0.30 -5.03 118.70 120.00 2k3u s GLU 103 Ca 0.00 -0.04 0.09 0.00 0.02 0.00 0.00 54.97 55.04 2k3u s GLU 103 Cb 0.00 -2.59 0.17 0.00 0.10 0.00 0.00 34.13 31.80 2k3u s GLU 103 CO 0.00 0.11 1.07 0.43 0.02 0.00 0.00 175.26 176.89 2k3u n SER 104 N -1.45 0.58 -3.77 -0.19 7.64 -1.26 -4.84 113.62 110.33 2k3u n SER 104 Ca -0.02 -2.20 -0.13 0.00 1.01 0.00 0.00 58.87 57.53 2k3u n SER 104 Cb 0.55 -0.27 -0.11 0.00 -1.01 0.00 0.00 64.21 63.37 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 0.34 0.99 1.43 2.20 -1.26 -5.17 119.74 117.83 2k3u s LYS 105 Ca 0.14 0.40 -0.12 0.00 -0.36 0.00 0.00 55.97 56.03 2k3u s LYS 105 Cb 0.15 0.17 0.19 0.00 -1.51 0.00 0.00 37.83 36.82 2k3u s LYS 105 CO -0.05 -0.04 1.08 -1.54 -0.36 0.00 0.00 175.35 174.45 2k3u s SER 106 N 0.14 2.47 0.00 1.43 1.04 -1.26 -4.83 113.70 112.69 2k3u s SER 106 Ca -0.00 1.69 0.00 0.00 0.48 0.00 0.00 55.95 58.12 2k3u s SER 106 Cb -0.02 -2.33 0.00 0.00 0.10 0.00 0.00 66.02 63.77 2k3u s SER 106 CO 0.00 -3.30 0.00 -0.24 0.98 0.00 0.00 173.24 170.68 2k3u n SER 107 N -4.33 0.05 -3.85 7.02 2.88 -0.73 -5.00 113.62 109.65 2k3u n SER 107 Ca 0.07 -0.20 -0.12 0.00 -1.33 0.00 0.00 58.87 57.28 2k3u n SER 107 Cb 0.54 0.41 -0.14 0.00 -0.75 0.00 0.00 64.21 64.27 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 -0.42 -0.00 0.06 0.66 5.04 -1.21 -5.04 117.35 116.43 2k3u s TYR 108 Ca 0.00 0.04 -0.20 0.00 -2.44 0.00 0.00 57.07 54.47 2k3u s TYR 108 Cb 0.00 -0.03 0.04 0.00 0.35 0.00 0.00 41.96 42.32 2k3u s TYR 108 CO 0.00 -0.02 0.46 0.14 -1.34 0.00 0.00 175.55 174.79 2k3u s VAL 109 N 0.15 0.05 -0.16 3.14 -7.23 -1.26 -0.70 120.40 114.39 2k3u s VAL 109 Ca -0.01 -0.38 -0.13 0.00 -1.81 0.00 0.00 61.98 59.65 2k3u s VAL 109 Cb -0.02 -0.98 0.05 0.00 0.56 0.00 0.00 36.38 35.98 2k3u s VAL 109 CO -0.00 -0.21 0.42 -0.63 -0.31 0.00 0.00 175.10 174.37 2k3u s ILE 110 N -2.63 -0.01 0.20 -0.62 1.01 -0.75 -4.99 121.20 113.40 2k3u s ILE 110 Ca -0.04 0.02 -0.09 0.00 0.00 0.00 0.00 60.65 60.54 2k3u s ILE 110 Cb -0.00 -0.59 -0.07 0.00 0.01 0.00 0.00 42.46 41.81 2k3u s ILE 110 CO -0.03 0.01 0.51 0.20 0.00 0.00 0.00 174.94 175.62 2k3u s ASN 111 N 0.53 6.62 0.40 3.58 0.01 -1.26 -1.17 114.94 123.64 2k3u s ASN 111 Ca -0.03 0.87 0.04 0.00 -0.71 0.00 0.00 52.86 53.03 2k3u s ASN 111 Cb -0.04 -2.20 -0.03 0.00 0.41 0.00 0.00 41.25 39.39 2k3u s ASN 111 CO -0.03 -0.02 0.15 -0.83 -1.51 0.00 0.00 177.10 174.86 2k3u s GLY 112 N -2.28 2.55 0.00 0.66 0.00 -0.23 -4.92 107.32 103.10 2k3u s GLY 112 Ca 0.45 -1.35 0.00 0.00 0.00 0.00 0.00 44.72 43.81 2k3u s GLY 112 CO 0.21 -1.78 0.64 -1.55 0.00 0.00 0.00 173.10 170.62 2k3u n PRO 113 N -0.86 0.78 -0.25 2.90 -0.04 -0.73 -4.53 135.00 132.26 2k3u n PRO 113 Ca -0.04 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.42 2k3u n PRO 113 Cb 0.65 -1.21 0.00 0.00 -0.04 0.00 0.00 33.50 32.89 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 0.43 0.31 0.00 0.55 0.00 -0.70 -4.90 105.19 100.88 2k3u n GLY 114 Ca 0.00 -1.85 0.00 0.00 0.00 0.00 0.00 46.02 44.17 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 -0.56 4.73 -3.80 1.61 4.81 -1.26 -4.95 118.16 118.73 2k3u n LYS 115 Ca 0.00 0.00 -0.04 0.00 -0.87 0.00 0.00 58.31 57.40 2k3u n LYS 115 Cb 0.00 -0.46 -0.00 0.00 0.02 0.00 0.00 35.03 34.59 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 -0.15 0.00 -0.01 3.15 -1.32 -1.26 -4.89 115.64 111.16 2k3u s THR 116 Ca 0.00 -0.70 0.08 0.00 -1.21 0.00 0.00 61.69 59.86 2k3u s THR 116 Cb 0.00 -2.30 -0.23 0.00 -1.51 0.00 0.00 72.50 68.46 2k3u s THR 116 CO 0.00 0.00 0.79 0.78 -2.21 0.00 0.00 174.62 173.98 2k3u h ASN 117 N 2.00 0.08 -0.93 8.08 4.21 -1.95 -3.32 115.58 123.76 2k3u h ASN 117 Ca -0.25 -0.14 -0.72 0.00 1.21 0.00 0.00 56.30 56.39 2k3u h ASN 117 Cb 1.23 -0.03 -0.10 0.00 -1.12 0.00 0.00 38.32 38.30 2k3u h ASN 117 CO 0.29 1.12 2.33 -0.62 -1.29 0.00 0.00 177.43 179.27 2k3u n GLU 118 N -3.19 3.22 -3.50 0.81 1.02 -1.26 -0.78 120.64 116.96 2k3u n GLU 118 Ca -0.15 -3.21 -0.19 0.00 -0.02 0.00 0.00 57.16 53.59 2k3u n GLU 118 Cb 1.03 -3.20 0.02 0.00 -0.02 0.00 0.00 31.44 29.27 2k3u n GLU 118 CO 0.00 0.00 0.00 0.66 1.18 0.00 0.00 177.13 178.97 2k3u n TYR 119 N 5.93 -2.30 -1.62 -0.32 4.02 -1.26 -3.57 117.16 118.04 2k3u n TYR 119 Ca 0.45 0.78 -0.06 0.00 -0.01 0.00 0.00 57.90 59.06 2k3u n TYR 119 Cb 0.40 -3.50 -0.02 0.00 -0.02 0.00 0.00 39.34 36.21 2k3u n TYR 119 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 176.86 175.85 2k3u n ALA 120 N -3.00 -0.36 -1.33 -0.72 0.00 -1.26 -5.01 120.51 108.81 2k3u n ALA 120 Ca -0.12 0.08 0.00 0.00 0.00 0.00 0.00 53.44 53.40 2k3u n ALA 120 Cb 0.59 -0.85 0.00 0.00 0.00 0.00 0.00 19.45 19.19 2k3u n ALA 120 CO 0.00 0.00 0.00 0.98 0.00 0.00 0.00 177.50 178.48