#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 0.06 -0.43 6.41 7.64 -1.26 -5.11 113.62 120.94 2k3u n SER 32 Ca 0.00 -1.72 0.05 0.00 1.01 0.00 0.00 58.87 58.21 2k3u n SER 32 Cb 0.00 -0.11 -0.02 0.00 -1.01 0.00 0.00 64.21 63.07 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 0.09 -2.21 2.60 0.23 0.00 -1.26 -4.93 105.19 99.71 2k3u n GLY 33 Ca -0.02 -1.38 -0.28 0.00 0.00 0.00 0.00 46.02 44.34 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 -5.61 2.61 0.82 0.99 1.43 -1.26 -4.76 118.68 112.91 2k3u s LEU 34 Ca 0.00 -3.16 -0.10 0.00 -1.03 0.00 0.00 54.13 49.84 2k3u s LEU 34 Cb 0.00 -0.89 0.13 0.00 0.03 0.00 0.00 46.19 45.45 2k3u s LEU 34 CO 0.00 -0.17 1.16 -2.16 0.23 0.00 0.00 176.35 175.40 2k3u s PRO 35 N -0.26 1.48 0.00 1.29 0.04 -1.26 -5.05 135.00 131.24 2k3u s PRO 35 Ca 0.27 -0.40 0.00 0.00 0.04 0.00 0.00 61.00 60.90 2k3u s PRO 35 Cb -0.06 -2.04 0.00 0.00 0.04 0.00 0.00 34.50 32.44 2k3u s PRO 35 CO -0.14 -1.78 0.13 -2.37 0.04 0.00 0.00 177.00 172.88 2k3u n THR 36 N -3.29 0.01 -4.11 1.26 5.66 -1.26 -4.94 114.28 107.61 2k3u n THR 36 Ca 0.12 -0.03 -0.15 0.00 -3.05 0.00 0.00 64.05 60.94 2k3u n THR 36 Cb 0.60 1.75 -0.13 0.00 -1.55 0.00 0.00 70.33 70.99 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 -0.01 0.41 0.49 1.09 -4.23 -1.26 -1.05 115.64 111.08 2k3u s THR 37 Ca 0.00 -0.48 0.26 0.00 -1.18 0.00 0.00 61.69 60.29 2k3u s THR 37 Cb 0.00 -0.40 0.30 0.00 1.34 0.00 0.00 72.50 73.74 2k3u s THR 37 CO 0.00 -0.05 2.13 -0.07 -0.54 0.00 0.00 174.62 176.09 2k3u h LEU 38 N 5.54 0.00 -1.54 4.79 3.38 -1.64 -2.70 115.31 123.14 2k3u h LEU 38 Ca -0.30 0.00 0.19 0.00 0.09 0.00 0.00 57.88 57.86 2k3u h LEU 38 Cb 1.20 0.00 -0.06 0.00 0.09 0.00 0.00 40.66 41.89 2k3u h LEU 38 CO 0.47 0.08 0.58 1.23 0.09 0.00 0.00 178.44 180.89 2k3u h GLY 39 N 0.45 0.80 0.47 0.83 0.00 -1.26 0.17 103.07 104.53 2k3u h GLY 39 Ca -0.00 -0.18 -0.29 0.00 0.00 0.00 0.00 47.33 46.86 2k3u h GLY 39 CO 0.01 0.01 -1.55 0.50 0.00 0.00 0.00 176.54 175.51 2k3u h LYS 40 N 0.40 0.21 -0.03 4.80 1.57 -1.75 -3.34 116.57 118.42 2k3u h LYS 40 Ca 0.44 -0.35 -0.01 0.00 -1.87 0.00 0.00 60.65 58.86 2k3u h LYS 40 Cb 1.11 0.13 -0.00 0.00 0.08 0.00 0.00 32.23 33.55 2k3u h LYS 40 CO -0.16 1.17 -0.02 1.25 -0.57 0.00 0.00 179.45 181.12 2k3u h LEU 41 N -0.32 0.06 -0.68 2.94 5.85 -1.30 -2.73 115.31 119.13 2k3u h LEU 41 Ca -0.35 -0.45 -0.04 0.00 0.84 0.00 0.00 57.88 57.89 2k3u h LEU 41 Cb 1.76 -0.02 -0.03 0.00 0.37 0.00 0.00 40.66 42.74 2k3u h LEU 41 CO 0.02 0.50 0.28 -0.78 -0.34 0.00 0.00 178.44 178.12 2k3u h ASP 42 N -0.37 0.92 -0.76 1.25 1.82 -0.90 0.76 116.42 119.14 2k3u h ASP 42 Ca 0.01 -0.16 0.04 0.00 -0.39 0.00 0.00 57.03 56.52 2k3u h ASP 42 Cb 0.47 -0.24 -0.04 0.00 0.68 0.00 0.00 39.33 40.20 2k3u h ASP 42 CO 0.00 0.83 0.50 -0.08 -1.61 0.00 0.00 179.24 178.88 2k3u h GLU 43 N 0.95 0.89 0.39 0.28 4.81 -1.69 0.61 114.58 120.83 2k3u h GLU 43 Ca 0.23 -0.05 -0.02 0.00 -0.13 0.00 0.00 59.36 59.38 2k3u h GLU 43 Cb 0.19 -0.20 0.00 0.00 0.63 0.00 0.00 28.75 29.37 2k3u h GLU 43 CO -0.02 0.59 -0.19 0.00 -0.73 0.00 0.00 179.01 178.66 2k3u h ARG 44 N 0.92 -0.50 -0.78 1.92 3.08 -1.07 -3.03 114.38 114.92 2k3u h ARG 44 Ca 0.30 0.03 0.02 0.00 0.07 0.00 0.00 59.98 60.41 2k3u h ARG 44 Cb 0.06 0.11 -0.04 0.00 0.08 0.00 0.00 29.97 30.19 2k3u h ARG 44 CO -0.09 -0.19 0.52 -0.07 -1.07 0.00 0.00 179.97 179.07 2k3u h LEU 45 N -0.90 0.87 -1.26 3.04 3.38 -0.35 0.31 115.31 120.39 2k3u h LEU 45 Ca -0.05 -0.02 -0.06 0.00 0.09 0.00 0.00 57.88 57.84 2k3u h LEU 45 Cb 0.55 -0.21 -0.01 0.00 0.09 0.00 0.00 40.66 41.07 2k3u h LEU 45 CO 0.09 0.62 -0.13 -0.09 0.09 0.00 0.00 178.44 179.02 2k3u h ARG 46 N 1.02 0.35 -0.00 1.13 2.43 -1.02 -2.13 114.38 116.15 2k3u h ARG 46 Ca 0.30 -0.09 -0.25 0.00 -0.81 0.00 0.00 59.98 59.13 2k3u h ARG 46 Cb -0.06 -0.04 0.02 0.00 -0.42 0.00 0.00 29.97 29.47 2k3u h ARG 46 CO -0.07 0.48 -0.98 -0.91 -1.51 0.00 0.00 179.97 176.98 2k3u h ASN 47 N 0.32 0.86 -0.97 -3.80 2.35 -1.09 -3.39 115.58 109.86 2k3u h ASN 47 Ca 0.06 -0.74 0.03 0.00 -0.55 0.00 0.00 56.30 55.10 2k3u h ASN 47 Cb 0.43 -0.26 -0.05 0.00 0.05 0.00 0.00 38.32 38.48 2k3u h ASN 47 CO 0.02 1.49 0.64 1.88 -1.65 0.00 0.00 177.43 179.82 2k3u h TYR 48 N 0.33 1.20 -0.86 1.19 -1.99 0.20 -2.54 116.97 114.49 2k3u h TYR 48 Ca -0.12 0.03 0.04 0.00 2.00 0.00 0.00 58.73 60.68 2k3u h TYR 48 Cb 1.64 -0.40 -0.05 0.00 2.00 0.00 0.00 36.73 39.91 2k3u h TYR 48 CO 0.11 0.72 0.55 1.25 -0.00 0.00 0.00 178.16 180.79 2k3u h LEU 49 N 1.26 0.90 -0.12 3.88 6.46 -1.65 0.33 115.31 126.38 2k3u h LEU 49 Ca 0.38 -0.00 -0.06 0.00 -0.12 0.00 0.00 57.88 58.07 2k3u h LEU 49 Cb -0.05 -0.20 -0.00 0.00 -0.73 0.00 0.00 40.66 39.68 2k3u h LEU 49 CO -0.11 0.61 -0.18 0.11 -0.62 0.00 0.00 178.44 178.26 2k3u h LYS 50 N 1.05 0.33 0.00 1.25 1.57 -1.69 -1.93 116.57 117.15 2k3u h LYS 50 Ca 0.35 -0.20 0.00 0.00 -1.87 0.00 0.00 60.65 58.94 2k3u h LYS 50 Cb 0.05 0.02 0.00 0.00 0.08 0.00 0.00 32.23 32.38 2k3u h LYS 50 CO -0.13 0.77 0.00 0.87 -0.57 0.00 0.00 179.45 180.39 2k3u h LYS 51 N -0.08 0.00 0.00 3.15 1.57 -1.31 -3.34 116.57 116.56 2k3u h LYS 51 Ca 0.01 0.00 -0.05 0.00 -1.87 0.00 0.00 60.65 58.74 2k3u h LYS 51 Cb 0.74 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 33.04 2k3u h LYS 51 CO 0.04 0.00 -1.70 0.41 -0.57 0.00 0.00 179.45 177.63 2k3u n GLY 52 N -0.01 -0.65 3.65 3.86 0.00 0.11 -5.02 105.19 107.12 2k3u n GLY 52 Ca 0.01 -0.31 -0.26 0.00 0.00 0.00 0.00 46.02 45.47 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 -2.84 2.34 0.06 2.61 -4.23 -0.74 -5.04 115.64 107.80 2k3u s THR 53 Ca -0.05 -1.94 0.09 0.00 -1.18 0.00 0.00 61.69 58.61 2k3u s THR 53 Cb 0.08 -2.88 -0.12 0.00 1.34 0.00 0.00 72.50 70.91 2k3u s THR 53 CO 0.58 -0.10 1.35 0.11 -0.54 0.00 0.00 174.62 176.02 2k3u h LYS 54 N 1.73 0.00 -2.50 3.99 1.57 -1.88 -3.43 116.57 116.05 2k3u h LYS 54 Ca -0.43 0.00 -0.20 0.00 -1.87 0.00 0.00 60.65 58.15 2k3u h LYS 54 Cb 1.25 0.00 -0.32 0.00 0.08 0.00 0.00 32.23 33.24 2k3u h LYS 54 CO 0.72 0.84 -0.51 1.21 -0.57 0.00 0.00 179.45 181.13 2k3u s ASN 55 N -6.65 0.45 0.37 0.86 2.47 -1.26 -5.05 114.94 106.14 2k3u s ASN 55 Ca 0.02 0.39 0.23 0.00 0.42 0.00 0.00 52.86 53.92 2k3u s ASN 55 Cb 0.09 0.83 0.25 0.00 -1.45 0.00 0.00 41.25 40.97 2k3u s ASN 55 CO 0.80 -0.27 1.46 -1.28 -3.72 0.00 0.00 177.10 174.08 2k3u h SER 56 N 8.25 0.00 0.40 -4.21 0.87 -1.84 -3.37 113.55 113.65 2k3u h SER 56 Ca -0.16 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.40 2k3u h SER 56 Cb 1.13 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 63.09 2k3u h SER 56 CO 0.20 0.01 0.00 0.00 -0.53 0.00 0.00 176.83 176.51 2k3u n ALA 57 N -2.12 1.40 0.18 6.23 0.00 -1.26 -2.00 120.51 122.94 2k3u n ALA 57 Ca 0.03 0.09 0.06 0.00 0.00 0.00 0.00 53.44 53.62 2k3u n ALA 57 Cb 0.54 -1.30 0.25 0.00 0.00 0.00 0.00 19.45 18.94 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 -6.58 0.00 3.07 -1.98 -3.46 115.11 106.16 2k3u h GLN 58 Ca 0.00 0.00 -0.52 0.00 0.09 0.00 0.00 58.65 58.22 2k3u h GLN 58 Cb 0.20 0.00 -0.03 0.00 0.08 0.00 0.00 27.48 27.73 2k3u h GLN 58 CO 0.00 0.37 0.22 -0.06 0.09 0.00 0.00 178.83 179.44 2k3u s PHE 59 N -3.37 3.92 0.00 0.06 0.08 -0.85 -0.87 117.98 116.95 2k3u s PHE 59 Ca 0.02 1.69 0.00 0.00 0.12 0.00 0.00 56.93 58.76 2k3u s PHE 59 Cb 0.09 -2.81 0.00 0.00 -0.57 0.00 0.00 43.02 39.73 2k3u s PHE 59 CO 0.69 0.50 0.00 -0.85 -0.10 0.00 0.00 175.22 175.46 2k3u n GLU 60 N 1.54 1.35 -4.03 0.44 0.28 -0.17 -4.83 120.64 115.22 2k3u n GLU 60 Ca -0.05 0.00 -0.10 0.00 -0.16 0.00 0.00 57.16 56.86 2k3u n GLU 60 Cb 0.48 -0.93 -0.06 0.00 1.43 0.00 0.00 31.44 32.36 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 -1.76 1.42 0.04 3.44 -2.85 -1.20 -0.38 119.74 118.44 2k3u s LYS 61 Ca 0.00 -1.31 -0.03 0.00 -1.00 0.00 0.00 55.97 53.63 2k3u s LYS 61 Cb 0.00 0.42 -0.02 0.00 -2.06 0.00 0.00 37.83 36.17 2k3u s LYS 61 CO 0.00 -0.56 0.03 0.00 0.10 0.00 0.00 175.35 174.92 2k3u s MET 62 N -4.04 0.52 -0.01 1.78 0.23 -0.12 -1.50 119.30 116.15 2k3u s MET 62 Ca 0.25 -0.83 0.00 0.00 -1.03 0.00 0.00 55.69 54.08 2k3u s MET 62 Cb 0.01 0.19 0.01 0.00 -1.53 0.00 0.00 34.83 33.52 2k3u s MET 62 CO 0.08 -0.11 -0.00 0.54 -2.03 0.00 0.00 175.02 173.50 2k3u s VAL 63 N -2.63 0.11 -0.11 5.16 0.11 0.19 -0.73 120.40 122.49 2k3u s VAL 63 Ca -0.05 0.03 0.04 0.00 -2.93 0.00 0.00 61.98 59.06 2k3u s VAL 63 Cb -0.01 -0.15 0.00 0.00 -1.53 0.00 0.00 36.38 34.69 2k3u s VAL 63 CO -0.05 0.08 -0.23 -0.63 -3.33 0.00 0.00 175.10 170.93 2k3u s ILE 64 N 0.45 2.04 -0.18 7.04 1.01 0.18 -0.79 121.20 130.95 2k3u s ILE 64 Ca -0.04 -0.99 -0.02 0.00 0.00 0.00 0.00 60.65 59.60 2k3u s ILE 64 Cb -0.06 -1.77 -0.01 0.00 0.01 0.00 0.00 42.46 40.62 2k3u s ILE 64 CO -0.01 0.55 -0.09 -0.76 0.00 0.00 0.00 174.94 174.63 2k3u s LEU 65 N 0.49 2.75 0.38 2.97 1.43 -0.15 -1.49 118.68 125.05 2k3u s LEU 65 Ca -0.15 -0.39 0.08 0.00 -1.03 0.00 0.00 54.13 52.64 2k3u s LEU 65 Cb -0.17 -1.66 -0.06 0.00 0.03 0.00 0.00 46.19 44.32 2k3u s LEU 65 CO 0.06 0.05 0.05 0.42 0.23 0.00 0.00 176.35 177.16 2k3u s THR 66 N 1.02 2.37 1.03 5.49 -4.23 -0.85 -1.93 115.64 118.54 2k3u s THR 66 Ca -0.01 -1.92 -0.14 0.00 -1.18 0.00 0.00 61.69 58.44 2k3u s THR 66 Cb -0.15 -2.88 0.10 0.00 1.34 0.00 0.00 72.50 70.91 2k3u s THR 66 CO -0.01 -0.10 0.42 -0.62 -0.54 0.00 0.00 174.62 173.76 2k3u n GLU 67 N -1.02 -1.03 -2.86 3.99 1.02 -0.61 -3.38 120.64 116.76 2k3u n GLU 67 Ca -0.04 -0.27 -0.21 0.00 -0.02 0.00 0.00 57.16 56.63 2k3u n GLU 67 Cb 0.64 -1.90 0.03 0.00 -0.02 0.00 0.00 31.44 30.19 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 -2.19 -5.85 -0.10 1.62 3.02 -1.02 -3.30 115.26 107.44 2k3u n ASN 68 Ca 0.05 -0.22 -0.01 0.00 -0.03 0.00 0.00 54.58 54.36 2k3u n ASN 68 Cb 0.56 -4.70 -0.01 0.00 -0.61 0.00 0.00 39.78 35.02 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 -3.66 -0.95 -1.91 3.52 5.02 -1.05 -4.81 118.16 114.32 2k3u n LYS 69 Ca -0.13 0.32 -0.41 0.00 -2.02 0.00 0.00 58.31 56.07 2k3u n LYS 69 Cb 0.63 -4.08 -0.01 0.00 -0.02 0.00 0.00 35.03 31.54 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 -2.11 2.52 -0.20 0.72 0.00 -1.21 -4.92 107.32 102.13 2k3u s GLY 70 Ca 0.00 1.45 -0.04 0.00 0.00 0.00 0.00 44.72 46.13 2k3u s GLY 70 CO 0.00 2.30 0.20 -0.47 0.00 0.00 0.00 173.10 175.13 2k3u s TYR 71 N -0.47 -0.20 -0.15 1.90 6.14 -1.26 -2.01 117.35 121.31 2k3u s TYR 71 Ca 0.57 0.14 -0.00 0.00 0.64 0.00 0.00 57.07 58.42 2k3u s TYR 71 Cb -0.44 -0.41 0.03 0.00 0.42 0.00 0.00 41.96 41.56 2k3u s TYR 71 CO 0.51 -0.58 -0.09 0.71 0.64 0.00 0.00 175.55 176.74 2k3u s TYR 72 N 2.30 1.88 -0.08 4.97 2.02 -0.55 -4.97 117.35 122.91 2k3u s TYR 72 Ca 0.06 -1.12 0.04 0.00 -0.37 0.00 0.00 57.07 55.68 2k3u s TYR 72 Cb -0.16 -1.41 -0.00 0.00 -0.40 0.00 0.00 41.96 39.99 2k3u s TYR 72 CO -0.11 -0.63 -0.21 -0.08 -1.57 0.00 0.00 175.55 172.95 2k3u s THR 73 N 1.58 1.78 -0.08 -0.71 -1.32 -1.26 -0.64 115.64 114.99 2k3u s THR 73 Ca 0.02 -0.88 -0.03 0.00 -1.21 0.00 0.00 61.69 59.59 2k3u s THR 73 Cb -0.14 -1.54 0.04 0.00 -1.51 0.00 0.00 72.50 69.35 2k3u s THR 73 CO -0.09 0.50 0.15 -0.69 -2.21 0.00 0.00 174.62 172.28 2k3u s VAL 74 N 0.25 -0.21 0.02 5.08 1.01 0.09 -5.01 120.40 121.64 2k3u s VAL 74 Ca -0.13 0.33 -0.30 0.00 0.00 0.00 0.00 61.98 61.88 2k3u s VAL 74 Cb -0.16 -0.27 -0.04 0.00 0.00 0.00 0.00 36.38 35.92 2k3u s VAL 74 CO 0.06 0.14 1.05 -0.31 0.00 0.00 0.00 175.10 176.04 2k3u s TYR 75 N 2.05 3.59 -1.96 5.22 1.51 -1.26 -0.95 117.35 125.54 2k3u s TYR 75 Ca 0.01 1.57 0.28 0.00 -1.01 0.00 0.00 57.07 57.91 2k3u s TYR 75 Cb -0.12 -3.22 1.63 0.00 -0.11 0.00 0.00 41.96 40.14 2k3u s TYR 75 CO -0.05 -0.42 1.99 1.28 -1.11 0.00 0.00 175.55 177.23 2k3u n LEU 76 N 3.88 0.00 0.01 -1.29 4.77 0.48 -3.80 117.00 121.05 2k3u n LEU 76 Ca 0.07 0.02 0.06 0.00 -0.03 0.00 0.00 56.01 56.13 2k3u n LEU 76 Cb 0.49 -0.02 0.27 0.00 -2.33 0.00 0.00 43.42 41.83 2k3u n LEU 76 CO 0.53 -0.00 0.70 0.59 -1.33 0.00 0.00 177.39 177.87 2k3u n ASN 77 N -1.02 0.04 -3.87 -1.43 3.02 -1.25 -4.78 115.26 105.97 2k3u n ASN 77 Ca 0.20 0.51 -0.11 0.00 -0.03 0.00 0.00 54.58 55.15 2k3u n ASN 77 Cb 0.10 -0.52 -0.12 0.00 -0.61 0.00 0.00 39.78 38.63 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 -3.02 0.04 0.86 3.41 -4.23 -1.25 -5.17 115.64 106.28 2k3u s THR 78 Ca 0.05 -0.31 -0.12 0.00 -1.18 0.00 0.00 61.69 60.13 2k3u s THR 78 Cb 0.08 -0.23 0.09 0.00 1.34 0.00 0.00 72.50 73.77 2k3u s THR 78 CO 0.22 -0.17 1.02 -2.65 -0.54 0.00 0.00 174.62 172.50 2k3u n PRO 79 N 2.41 -0.09 -1.17 3.99 -0.02 -1.26 -5.00 135.00 133.87 2k3u n PRO 79 Ca -0.17 0.05 -0.34 0.00 -2.02 0.00 0.00 63.50 61.02 2k3u n PRO 79 Cb 0.58 -2.29 0.12 0.00 -0.02 0.00 0.00 33.50 31.88 2k3u n PRO 79 CO 0.00 0.00 0.00 -0.11 1.98 0.00 0.00 175.50 177.37 2k3u n LEU 80 N -3.10 4.14 -4.20 2.45 7.94 -1.26 -5.07 117.00 117.89 2k3u n LEU 80 Ca 0.12 0.60 -0.13 0.00 -1.11 0.00 0.00 56.01 55.49 2k3u n LEU 80 Cb 0.51 -1.48 -0.10 0.00 0.53 0.00 0.00 43.42 42.88 2k3u n LEU 80 CO 0.49 -1.81 -0.41 0.00 -1.11 0.00 0.00 177.39 174.56 2k3u s ALA 81 N -2.04 1.21 0.44 1.96 0.00 -1.26 -5.04 121.76 117.03 2k3u s ALA 81 Ca 0.73 -1.35 0.13 0.00 0.00 0.00 0.00 51.96 51.48 2k3u s ALA 81 Cb -0.30 0.07 1.03 0.00 0.00 0.00 0.00 23.12 23.92 2k3u s ALA 81 CO 0.51 -0.11 2.00 0.93 0.00 0.00 0.00 175.76 179.09 2k3u h GLU 82 N 3.10 0.38 -0.30 0.00 5.08 -1.98 -1.02 114.58 119.85 2k3u h GLU 82 Ca -0.36 -0.02 -0.05 0.00 -1.00 0.00 0.00 59.36 57.92 2k3u h GLU 82 Cb 1.18 -0.09 -0.01 0.00 0.50 0.00 0.00 28.75 30.34 2k3u h GLU 82 CO 0.60 0.25 -0.02 -0.44 -1.00 0.00 0.00 179.01 178.40 2k3u h ASP 83 N 0.39 0.54 0.73 1.42 3.32 -1.98 -2.82 116.42 118.01 2k3u h ASP 83 Ca 0.24 -0.33 -0.03 0.00 0.02 0.00 0.00 57.03 56.94 2k3u h ASP 83 Cb 0.44 -0.14 -0.00 0.00 0.22 0.00 0.00 39.33 39.84 2k3u h ASP 83 CO -0.06 0.73 -0.13 0.03 -1.72 0.00 0.00 179.24 178.10 2k3u h ARG 84 N 0.33 0.00 0.00 3.56 3.08 -1.63 -0.51 114.38 119.20 2k3u h ARG 84 Ca 0.08 0.00 -0.04 0.00 0.07 0.00 0.00 59.98 60.09 2k3u h ARG 84 Cb 0.47 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.52 2k3u h ARG 84 CO 0.02 0.13 -0.21 0.87 -1.07 0.00 0.00 179.97 179.70 2k3u h LYS 85 N 0.00 0.00 0.00 0.04 1.57 -1.02 -2.09 116.57 115.07 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 0.52 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.83 2k3u h LYS 85 CO 0.02 0.21 0.00 0.09 -0.57 0.00 0.00 179.45 179.20 2k3u n ASN 86 N -3.52 0.23 -4.77 0.86 3.02 -0.82 -2.96 115.26 107.29 2k3u n ASN 86 Ca -0.01 -0.57 -0.41 0.00 -0.03 0.00 0.00 54.58 53.57 2k3u n ASN 86 Cb 0.37 0.53 -0.01 0.00 -0.61 0.00 0.00 39.78 40.06 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 -0.53 2.23 0.31 2.41 0.11 -0.26 -4.95 120.40 119.72 2k3u s VAL 87 Ca 0.00 0.22 -0.11 0.00 -2.93 0.00 0.00 61.98 59.17 2k3u s VAL 87 Cb 0.00 -3.14 -0.07 0.00 -1.53 0.00 0.00 36.38 31.64 2k3u s VAL 87 CO 0.00 0.05 0.66 -1.61 -3.33 0.00 0.00 175.10 170.87 2k3u s GLU 88 N -1.89 3.83 0.15 1.54 2.02 -1.26 -2.53 118.70 120.56 2k3u s GLU 88 Ca 0.53 0.40 -0.14 0.00 0.02 0.00 0.00 54.97 55.77 2k3u s GLU 88 Cb -0.45 -2.52 -0.07 0.00 0.10 0.00 0.00 34.13 31.19 2k3u s GLU 88 CO 0.59 0.16 0.56 -0.51 0.02 0.00 0.00 175.26 176.08 2k3u s LEU 89 N -3.25 4.33 0.28 1.80 1.43 -0.21 -4.86 118.68 118.21 2k3u s LEU 89 Ca 0.50 1.09 0.07 0.00 -1.03 0.00 0.00 54.13 54.75 2k3u s LEU 89 Cb -0.11 -3.29 0.40 0.00 0.03 0.00 0.00 46.19 43.22 2k3u s LEU 89 CO 0.24 0.09 1.66 -0.07 0.23 0.00 0.00 176.35 178.50 2k3u h LEU 90 N 3.52 0.21 0.00 1.79 3.38 -1.91 -3.49 115.31 118.81 2k3u h LEU 90 Ca -0.48 -0.10 0.15 0.00 0.09 0.00 0.00 57.88 57.53 2k3u h LEU 90 Cb 1.19 -0.06 -0.03 0.00 0.09 0.00 0.00 40.66 41.85 2k3u h LEU 90 CO 0.66 0.67 0.43 0.61 0.09 0.00 0.00 178.44 180.89 2k3u n GLY 91 N -0.02 0.59 3.75 0.83 0.00 -1.21 -4.60 105.19 104.54 2k3u n GLY 91 Ca -0.02 -0.98 -0.37 0.00 0.00 0.00 0.00 46.02 44.65 2k3u n GLY 91 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2k3u s LYS 92 N -2.01 3.21 -0.54 1.61 3.01 -1.26 -4.44 119.74 119.31 2k3u s LYS 92 Ca 0.15 2.03 -0.15 0.00 -1.01 0.00 0.00 55.97 56.99 2k3u s LYS 92 Cb -0.01 -2.20 -0.14 0.00 -1.01 0.00 0.00 37.83 34.47 2k3u s LYS 92 CO 0.01 -1.07 1.76 -0.12 0.51 0.00 0.00 175.35 176.44 2k3u n MET 93 N -1.08 1.14 -0.12 1.68 0.00 -0.56 -1.57 117.12 116.62 2k3u n MET 93 Ca 0.11 -1.35 -0.05 0.00 -0.00 0.00 0.00 57.70 56.41 2k3u n MET 93 Cb 0.47 -2.55 0.03 0.00 0.00 0.00 0.00 33.22 31.17 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 7.84 0.14 -3.09 1.12 3.20 -0.74 -3.01 116.97 122.43 2k3u h TYR 94 Ca 0.34 0.02 -0.03 0.00 3.14 0.00 0.00 58.73 62.21 2k3u h TYR 94 Cb 0.41 -0.00 -0.12 0.00 1.54 0.00 0.00 36.73 38.56 2k3u h TYR 94 CO 1.54 0.02 0.15 0.21 -1.64 0.00 0.00 178.16 178.44 2k3u s LYS 95 N -6.16 1.24 0.01 1.82 2.20 -0.81 -1.85 119.74 116.18 2k3u s LYS 95 Ca -0.13 -0.53 0.03 0.00 -0.36 0.00 0.00 55.97 54.98 2k3u s LYS 95 Cb 0.13 0.56 -0.01 0.00 -1.51 0.00 0.00 37.83 37.00 2k3u s LYS 95 CO 0.71 -0.53 -0.10 0.99 -0.36 0.00 0.00 175.35 176.07 2k3u s THR 96 N -3.76 0.76 0.10 3.43 2.01 -0.34 -0.98 115.64 116.86 2k3u s THR 96 Ca 0.02 -0.57 0.08 0.00 0.31 0.00 0.00 61.69 61.52 2k3u s THR 96 Cb -0.00 -0.67 -0.03 0.00 0.01 0.00 0.00 72.50 71.80 2k3u s THR 96 CO -0.13 0.10 -0.20 -0.31 -0.69 0.00 0.00 174.62 173.39 2k3u s TYR 97 N -0.45 1.75 0.06 4.92 1.51 0.03 -1.74 117.35 123.42 2k3u s TYR 97 Ca 0.02 -0.42 0.03 0.00 -1.01 0.00 0.00 57.07 55.68 2k3u s TYR 97 Cb -0.05 -0.96 -0.03 0.00 -0.11 0.00 0.00 41.96 40.81 2k3u s TYR 97 CO 0.00 0.19 -0.09 -0.06 -1.11 0.00 0.00 175.55 174.48 2k3u s PHE 98 N -1.17 0.83 -0.04 2.71 0.40 -0.59 -0.64 117.98 119.49 2k3u s PHE 98 Ca 0.06 -0.56 0.01 0.00 -0.60 0.00 0.00 56.93 55.84 2k3u s PHE 98 Cb -0.10 -0.48 0.02 0.00 0.51 0.00 0.00 43.02 42.96 2k3u s PHE 98 CO 0.04 -0.06 -0.05 -0.06 0.70 0.00 0.00 175.22 175.80 2k3u s PHE 99 N -1.73 0.69 0.77 0.36 0.40 -0.56 -3.63 117.98 114.28 2k3u s PHE 99 Ca -0.04 -0.18 -0.11 0.00 -0.60 0.00 0.00 56.93 56.00 2k3u s PHE 99 Cb -0.07 -0.60 0.05 0.00 0.51 0.00 0.00 43.02 42.90 2k3u s PHE 99 CO 0.00 -0.16 1.09 0.15 0.70 0.00 0.00 175.22 177.00 2k3u s LYS 100 N 0.74 2.35 -0.46 0.44 1.02 -1.26 -1.00 119.74 121.56 2k3u s LYS 100 Ca -0.10 0.73 -0.13 0.00 0.02 0.00 0.00 55.97 56.49 2k3u s LYS 100 Cb -0.13 -1.94 -0.13 0.00 -0.52 0.00 0.00 37.83 35.12 2k3u s LYS 100 CO 0.00 -1.46 1.67 0.36 -0.92 0.00 0.00 175.35 175.00 2k3u n LYS 101 N -3.34 0.99 0.00 1.68 2.85 -0.05 -2.65 118.16 117.65 2k3u n LYS 101 Ca 0.07 -1.21 0.00 0.00 -1.05 0.00 0.00 58.31 56.12 2k3u n LYS 101 Cb 0.55 -2.45 0.00 0.00 -0.65 0.00 0.00 35.03 32.48 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 4.25 0.00 3.23 2.58 0.00 -1.26 -5.10 105.19 108.89 2k3u n GLY 102 Ca 0.34 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 46.23 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 0.00 1.02 0.00 1.61 2.12 -1.08 -5.07 118.70 117.30 2k3u s GLU 103 Ca 0.00 -1.44 0.00 0.00 0.36 0.00 0.00 54.97 53.89 2k3u s GLU 103 Cb 0.00 -0.51 0.00 0.00 0.26 0.00 0.00 34.13 33.88 2k3u s GLU 103 CO 0.00 0.04 0.46 -1.13 -0.54 0.00 0.00 175.26 174.08 2k3u n SER 104 N -0.17 0.00 -3.76 -1.70 3.41 -1.26 -4.88 113.62 105.26 2k3u n SER 104 Ca -0.10 -1.05 -0.14 0.00 -0.26 0.00 0.00 58.87 57.32 2k3u n SER 104 Cb 0.61 -0.01 -0.15 0.00 -0.26 0.00 0.00 64.21 64.40 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 0.00 0.02 0.73 4.33 2.20 -1.26 -5.15 119.74 120.61 2k3u s LYS 105 Ca 0.00 0.28 -0.15 0.00 -0.36 0.00 0.00 55.97 55.74 2k3u s LYS 105 Cb 0.00 -0.22 0.04 0.00 -1.51 0.00 0.00 37.83 36.14 2k3u s LYS 105 CO 0.00 -0.17 1.21 0.45 -0.36 0.00 0.00 175.35 176.48 2k3u s SER 106 N 1.14 4.17 0.00 1.43 0.15 -1.26 -4.95 113.70 114.38 2k3u s SER 106 Ca -0.09 2.35 0.00 0.00 0.70 0.00 0.00 55.95 58.91 2k3u s SER 106 Cb -0.12 -2.59 0.00 0.00 -1.71 0.00 0.00 66.02 61.60 2k3u s SER 106 CO -0.04 -2.28 0.21 -1.20 1.20 0.00 0.00 173.24 171.13 2k3u n SER 107 N -2.76 0.42 -3.86 5.45 7.64 -1.24 -5.02 113.62 114.26 2k3u n SER 107 Ca 0.13 -0.99 -0.13 0.00 1.01 0.00 0.00 58.87 58.89 2k3u n SER 107 Cb 0.50 0.01 -0.15 0.00 -1.01 0.00 0.00 64.21 63.56 2k3u n SER 107 CO 0.00 0.00 0.00 -0.47 -3.01 0.00 0.00 175.04 171.56 2k3u s TYR 108 N -0.01 0.10 0.11 1.43 5.04 -1.26 -5.07 117.35 117.69 2k3u s TYR 108 Ca 0.00 0.01 -0.11 0.00 -2.44 0.00 0.00 57.07 54.52 2k3u s TYR 108 Cb 0.00 -0.12 0.01 0.00 0.35 0.00 0.00 41.96 42.20 2k3u s TYR 108 CO 0.00 -0.03 0.28 0.14 -1.34 0.00 0.00 175.55 174.60 2k3u s VAL 109 N 0.25 0.11 -0.09 3.14 -7.23 -1.26 -1.54 120.40 113.78 2k3u s VAL 109 Ca -0.02 -0.98 -0.04 0.00 -1.81 0.00 0.00 61.98 59.13 2k3u s VAL 109 Cb -0.04 -1.33 0.05 0.00 0.56 0.00 0.00 36.38 35.62 2k3u s VAL 109 CO -0.01 -0.49 0.18 -0.63 -0.31 0.00 0.00 175.10 173.84 2k3u s ILE 110 N -3.85 -0.26 -0.03 -0.62 1.01 -0.71 -5.01 121.20 111.73 2k3u s ILE 110 Ca 0.05 0.32 -0.03 0.00 0.00 0.00 0.00 60.65 60.99 2k3u s ILE 110 Cb 0.04 -0.32 -0.04 0.00 0.01 0.00 0.00 42.46 42.15 2k3u s ILE 110 CO -0.10 0.13 0.16 0.20 0.00 0.00 0.00 174.94 175.33 2k3u s ASN 111 N 2.17 6.28 0.17 3.58 0.01 -1.26 -1.19 114.94 124.69 2k3u s ASN 111 Ca 0.01 0.34 -0.05 0.00 -0.71 0.00 0.00 52.86 52.45 2k3u s ASN 111 Cb -0.12 -1.96 0.02 0.00 0.41 0.00 0.00 41.25 39.60 2k3u s ASN 111 CO -0.06 0.29 0.32 0.61 -1.51 0.00 0.00 177.10 176.74 2k3u n GLY 112 N 1.14 1.77 3.76 0.66 0.00 -0.77 -4.77 105.19 106.99 2k3u n GLY 112 Ca -0.13 -1.19 -0.41 0.00 0.00 0.00 0.00 46.02 44.30 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 -2.10 4.24 0.00 1.61 0.04 -1.14 -4.26 135.00 133.39 2k3u s PRO 113 Ca 0.08 2.37 0.00 0.00 0.04 0.00 0.00 61.00 63.49 2k3u s PRO 113 Cb -0.02 -3.05 0.00 0.00 0.04 0.00 0.00 34.50 31.47 2k3u s PRO 113 CO 0.06 -0.39 0.00 0.41 0.04 0.00 0.00 177.00 177.12 2k3u n GLY 114 N 1.20 3.70 0.00 0.56 0.00 -1.26 -0.98 105.19 108.41 2k3u n GLY 114 Ca 0.03 -0.60 0.00 0.00 0.00 0.00 0.00 46.02 45.45 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 -1.10 1.86 -3.41 1.61 4.81 -1.26 -4.89 118.16 115.78 2k3u n LYS 115 Ca 0.00 0.00 -0.01 0.00 -0.87 0.00 0.00 58.31 57.43 2k3u n LYS 115 Cb 0.00 -0.16 -0.04 0.00 0.02 0.00 0.00 35.03 34.85 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 -0.25 -0.91 -2.00 3.15 -1.32 -1.26 -5.00 115.64 108.06 2k3u s THR 116 Ca 0.00 0.01 0.07 0.00 -1.21 0.00 0.00 61.69 60.56 2k3u s THR 116 Cb 0.00 -0.94 0.19 0.00 -1.51 0.00 0.00 72.50 70.24 2k3u s THR 116 CO 0.00 -0.01 0.85 0.59 -2.21 0.00 0.00 174.62 173.84 2k3u n ASN 117 N 5.42 0.00 -0.05 8.08 4.13 -1.26 -2.44 115.26 129.14 2k3u n ASN 117 Ca -0.06 -0.77 0.02 0.00 1.68 0.00 0.00 54.58 55.45 2k3u n ASN 117 Cb 0.50 0.00 0.03 0.00 -1.54 0.00 0.00 39.78 38.77 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 -0.71 1.83 -0.24 3.52 1.02 -1.26 -2.54 120.64 122.27 2k3u n GLU 118 Ca 0.05 -1.48 0.00 0.00 -0.02 0.00 0.00 57.16 55.71 2k3u n GLU 118 Cb 0.02 -0.96 0.00 0.00 -0.02 0.00 0.00 31.44 30.48 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 -0.55 0.00 0.73 -0.32 4.19 -1.24 -4.88 117.16 115.09 2k3u n TYR 119 Ca 0.03 0.00 0.00 0.00 3.31 0.00 0.00 57.90 61.24 2k3u n TYR 119 Cb 0.41 -0.57 0.00 0.00 0.49 0.00 0.00 39.34 39.67 2k3u n TYR 119 CO 0.00 0.00 0.00 0.00 0.91 0.00 0.00 176.86 177.77 2k3u n ALA 120 N 2.15 2.12 -1.42 2.98 0.00 -1.26 -4.96 120.51 120.13 2k3u n ALA 120 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 2k3u n ALA 120 Cb 0.00 -1.00 0.00 0.00 0.00 0.00 0.00 19.45 18.45 2k3u n ALA 120 CO 0.00 0.00 0.00 0.98 0.00 0.00 0.00 177.50 178.48