#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 0.00 0.00 6.41 2.88 -1.26 -5.20 113.62 116.45 2k3u n SER 32 Ca 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.54 2k3u n SER 32 Cb 0.00 0.21 0.00 0.00 -0.75 0.00 0.00 64.21 63.67 2k3u n SER 32 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 2k3u n GLY 33 N -0.39 0.30 3.84 0.46 0.00 -1.26 -5.14 105.19 102.99 2k3u n GLY 33 Ca 0.00 -1.53 -0.32 0.00 0.00 0.00 0.00 46.02 44.17 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 3.58 0.50 0.99 1.43 -1.26 -5.03 118.68 118.89 2k3u s LEU 34 Ca 0.00 1.61 -0.23 0.00 -1.03 0.00 0.00 54.13 54.48 2k3u s LEU 34 Cb 0.00 -4.51 -0.06 0.00 0.03 0.00 0.00 46.19 41.65 2k3u s LEU 34 CO 0.00 -0.71 1.26 -2.16 0.23 0.00 0.00 176.35 174.97 2k3u s PRO 35 N -4.13 3.48 -0.38 1.29 0.04 -1.26 -4.97 135.00 129.07 2k3u s PRO 35 Ca 0.60 2.01 0.12 0.00 0.04 0.00 0.00 61.00 63.76 2k3u s PRO 35 Cb -0.11 -2.35 0.37 0.00 0.04 0.00 0.00 34.50 32.45 2k3u s PRO 35 CO 0.33 -0.85 0.91 -2.37 0.04 0.00 0.00 177.00 175.07 2k3u n THR 36 N -0.71 0.12 -4.30 1.26 5.66 -1.26 -5.13 114.28 109.93 2k3u n THR 36 Ca 0.09 -3.35 -0.20 0.00 -3.05 0.00 0.00 64.05 57.53 2k3u n THR 36 Cb 0.46 0.41 -0.11 0.00 -1.55 0.00 0.00 70.33 69.54 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 -1.78 1.62 0.45 1.09 -4.23 -1.26 -0.79 115.64 110.74 2k3u s THR 37 Ca 0.32 -1.82 0.15 0.00 -1.18 0.00 0.00 61.69 59.15 2k3u s THR 37 Cb 0.36 -1.71 0.18 0.00 1.34 0.00 0.00 72.50 72.68 2k3u s THR 37 CO -0.05 -0.34 1.99 -0.07 -0.54 0.00 0.00 174.62 175.61 2k3u h LEU 38 N 3.39 0.00 -1.34 4.79 3.38 -1.60 -0.79 115.31 123.14 2k3u h LEU 38 Ca -0.41 0.00 0.34 0.00 0.09 0.00 0.00 57.88 57.89 2k3u h LEU 38 Cb 1.20 0.00 -0.11 0.00 0.09 0.00 0.00 40.66 41.84 2k3u h LEU 38 CO 0.50 0.18 0.73 1.23 0.09 0.00 0.00 178.44 181.17 2k3u h GLY 39 N 0.55 1.35 0.13 0.83 0.00 -0.97 0.15 103.07 105.11 2k3u h GLY 39 Ca -0.00 -0.17 -0.36 0.00 0.00 0.00 0.00 47.33 46.79 2k3u h GLY 39 CO 0.02 -0.28 -2.05 0.28 0.00 0.00 0.00 176.54 174.51 2k3u n LYS 40 N -4.70 0.63 -0.10 4.80 4.76 -1.13 -4.46 118.16 117.95 2k3u n LYS 40 Ca 0.31 0.33 -0.12 0.00 -2.87 0.00 0.00 58.31 55.96 2k3u n LYS 40 Cb 1.10 -1.62 -0.04 0.00 -1.84 0.00 0.00 35.03 32.64 2k3u n LYS 40 CO 0.00 0.00 0.00 1.25 -1.37 0.00 0.00 177.40 177.28 2k3u h LEU 41 N -0.58 0.63 -0.98 -0.35 5.85 -0.51 -0.40 115.31 118.96 2k3u h LEU 41 Ca -0.52 -0.41 -0.03 0.00 0.84 0.00 0.00 57.88 57.76 2k3u h LEU 41 Cb 1.67 -0.17 -0.04 0.00 0.37 0.00 0.00 40.66 42.49 2k3u h LEU 41 CO -0.19 0.90 0.36 -0.78 -0.34 0.00 0.00 178.44 178.39 2k3u h ASP 42 N 0.36 0.98 -0.37 1.25 1.82 -0.96 0.15 116.42 119.66 2k3u h ASP 42 Ca 0.07 -0.11 -0.00 0.00 -0.39 0.00 0.00 57.03 56.59 2k3u h ASP 42 Cb 0.66 -0.25 -0.02 0.00 0.68 0.00 0.00 39.33 40.40 2k3u h ASP 42 CO 0.04 0.83 0.21 -0.08 -1.61 0.00 0.00 179.24 178.64 2k3u h GLU 43 N 1.08 0.51 -0.44 0.28 4.81 -1.64 -1.97 114.58 117.22 2k3u h GLU 43 Ca 0.26 -0.05 -0.13 0.00 -0.13 0.00 0.00 59.36 59.31 2k3u h GLU 43 Cb 0.11 -0.10 -0.01 0.00 0.63 0.00 0.00 28.75 29.37 2k3u h GLU 43 CO -0.03 0.41 -0.23 -0.09 -0.73 0.00 0.00 179.01 178.34 2k3u h ARG 44 N 0.48 0.89 -0.04 1.92 2.43 -0.28 -2.49 114.38 117.29 2k3u h ARG 44 Ca 0.13 -0.38 -0.14 0.00 -0.81 0.00 0.00 59.98 58.79 2k3u h ARG 44 Cb 0.03 -0.03 -0.01 0.00 -0.42 0.00 0.00 29.97 29.54 2k3u h ARG 44 CO -0.02 1.03 -0.59 -0.07 -1.51 0.00 0.00 179.97 178.80 2k3u h LEU 45 N 0.77 0.17 -1.43 3.80 3.38 -0.71 -0.65 115.31 120.65 2k3u h LEU 45 Ca 0.10 -0.09 -0.02 0.00 0.09 0.00 0.00 57.88 57.95 2k3u h LEU 45 Cb 0.78 -0.05 -0.02 0.00 0.09 0.00 0.00 40.66 41.46 2k3u h LEU 45 CO 0.06 0.72 0.12 0.03 0.09 0.00 0.00 178.44 179.46 2k3u h ARG 46 N 0.11 0.50 -0.22 1.13 3.08 -1.26 -2.40 114.38 115.32 2k3u h ARG 46 Ca -0.01 -0.07 -0.06 0.00 0.07 0.00 0.00 59.98 59.92 2k3u h ARG 46 Cb 1.07 -0.09 -0.01 0.00 0.08 0.00 0.00 29.97 31.02 2k3u h ARG 46 CO 0.09 0.44 -0.09 -0.91 -1.07 0.00 0.00 179.97 178.43 2k3u h ASN 47 N 0.50 0.46 -0.88 7.04 2.35 -0.92 -3.28 115.58 120.84 2k3u h ASN 47 Ca 0.12 -0.40 0.12 0.00 -0.55 0.00 0.00 56.30 55.59 2k3u h ASN 47 Cb 0.14 -0.13 -0.08 0.00 0.05 0.00 0.00 38.32 38.30 2k3u h ASN 47 CO -0.01 0.75 0.51 1.88 -1.65 0.00 0.00 177.43 178.91 2k3u h TYR 48 N 0.16 0.91 -0.47 1.19 0.05 -0.64 0.27 116.97 118.45 2k3u h TYR 48 Ca 0.05 0.03 -0.05 0.00 0.05 0.00 0.00 58.73 58.81 2k3u h TYR 48 Cb 0.57 -0.28 -0.02 0.00 1.01 0.00 0.00 36.73 38.02 2k3u h TYR 48 CO 0.06 0.33 0.09 -0.07 -1.05 0.00 0.00 178.16 177.51 2k3u h LEU 49 N 0.80 0.73 -0.26 3.88 3.38 -1.60 -1.09 115.31 121.14 2k3u h LEU 49 Ca 0.45 -0.25 -0.09 0.00 0.09 0.00 0.00 57.88 58.07 2k3u h LEU 49 Cb 0.49 -0.19 -0.01 0.00 0.09 0.00 0.00 40.66 41.04 2k3u h LEU 49 CO -0.29 0.80 -0.19 0.11 0.09 0.00 0.00 178.44 178.96 2k3u h LYS 50 N 0.64 0.60 0.00 1.13 1.57 -1.43 0.12 116.57 119.19 2k3u h LYS 50 Ca 0.14 -0.29 -0.00 0.00 -1.87 0.00 0.00 60.65 58.63 2k3u h LYS 50 Cb 0.37 -0.00 -0.00 0.00 0.08 0.00 0.00 32.23 32.68 2k3u h LYS 50 CO 0.01 0.87 -0.01 0.87 -0.57 0.00 0.00 179.45 180.62 2k3u h LYS 51 N 0.32 0.00 0.00 3.15 1.57 -0.99 -3.38 116.57 117.24 2k3u h LYS 51 Ca 0.05 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.83 2k3u h LYS 51 Cb 0.73 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.04 2k3u h LYS 51 CO 0.05 0.01 -0.99 0.41 -0.57 0.00 0.00 179.45 178.36 2k3u n GLY 52 N -0.95 0.00 3.96 3.86 0.00 -0.42 -5.05 105.19 106.59 2k3u n GLY 52 Ca -0.02 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.78 2k3u n GLY 52 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 2k3u s THR 53 N -1.99 3.15 0.17 2.61 -4.23 0.00 -5.03 115.64 110.32 2k3u s THR 53 Ca 0.00 -0.57 -0.03 0.00 -1.18 0.00 0.00 61.69 59.90 2k3u s THR 53 Cb 0.00 -3.18 -0.11 0.00 1.34 0.00 0.00 72.50 70.55 2k3u s THR 53 CO 0.00 -0.13 1.42 0.11 -0.54 0.00 0.00 174.62 175.48 2k3u h LYS 54 N 0.16 0.47 -2.54 3.99 1.57 -1.92 -3.44 116.57 114.87 2k3u h LYS 54 Ca -0.44 -0.38 -0.27 0.00 -1.87 0.00 0.00 60.65 57.70 2k3u h LYS 54 Cb 1.28 0.08 -0.34 0.00 0.08 0.00 0.00 32.23 33.33 2k3u h LYS 54 CO 0.54 1.01 -0.58 1.21 -0.57 0.00 0.00 179.45 181.06 2k3u s ASN 55 N -6.99 0.93 0.40 0.86 2.47 -1.26 -5.03 114.94 106.32 2k3u s ASN 55 Ca -0.06 0.07 0.17 0.00 0.42 0.00 0.00 52.86 53.46 2k3u s ASN 55 Cb 0.10 0.57 0.86 0.00 -1.45 0.00 0.00 41.25 41.33 2k3u s ASN 55 CO 0.85 -0.30 1.86 -1.28 -3.72 0.00 0.00 177.10 174.51 2k3u h SER 56 N 8.29 0.00 0.42 -4.21 0.87 -1.85 -3.36 113.55 113.71 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 1.14 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 63.10 2k3u h SER 56 CO 0.24 0.32 0.00 0.00 -0.53 0.00 0.00 176.83 176.86 2k3u n ALA 57 N -2.40 1.46 0.61 6.23 0.00 -1.26 -1.92 120.51 123.24 2k3u n ALA 57 Ca -0.02 0.04 0.13 0.00 0.00 0.00 0.00 53.44 53.59 2k3u n ALA 57 Cb 0.39 -1.26 0.36 0.00 0.00 0.00 0.00 19.45 18.94 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 -1.85 0.27 -3.25 0.00 10.64 -1.26 -4.86 117.38 117.07 2k3u n GLN 58 Ca 0.02 0.19 -0.38 0.00 -1.83 0.00 0.00 57.00 54.99 2k3u n GLN 58 Cb 0.14 -1.78 -0.06 0.00 -0.86 0.00 0.00 30.24 27.68 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 -3.11 3.61 -0.02 2.61 0.08 -0.81 -1.04 117.98 119.30 2k3u s PHE 59 Ca 0.10 1.07 0.03 0.00 0.12 0.00 0.00 56.93 58.25 2k3u s PHE 59 Cb 0.12 -2.58 -0.04 0.00 -0.57 0.00 0.00 43.02 39.95 2k3u s PHE 59 CO 0.62 0.28 0.04 -0.85 -0.10 0.00 0.00 175.22 175.21 2k3u n GLU 60 N 3.12 2.04 -4.03 0.44 0.28 -0.14 -4.72 120.64 117.63 2k3u n GLU 60 Ca -0.07 -0.01 -0.11 0.00 -0.16 0.00 0.00 57.16 56.81 2k3u n GLU 60 Cb 0.51 -1.08 -0.05 0.00 1.43 0.00 0.00 31.44 32.26 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 -2.14 1.69 0.07 3.44 -2.85 -1.21 -0.75 119.74 117.98 2k3u s LYS 61 Ca -0.01 -1.45 -0.07 0.00 -1.00 0.00 0.00 55.97 53.44 2k3u s LYS 61 Cb 0.01 0.46 -0.01 0.00 -2.06 0.00 0.00 37.83 36.24 2k3u s LYS 61 CO 0.13 -0.70 0.13 0.00 0.10 0.00 0.00 175.35 175.01 2k3u s MET 62 N -3.60 0.74 -0.02 1.78 0.23 -0.36 -1.29 119.30 116.78 2k3u s MET 62 Ca 0.26 -0.95 0.01 0.00 -1.03 0.00 0.00 55.69 53.98 2k3u s MET 62 Cb -0.00 0.29 0.01 0.00 -1.53 0.00 0.00 34.83 33.60 2k3u s MET 62 CO 0.13 -0.21 -0.02 0.08 -2.03 0.00 0.00 175.02 172.96 2k3u s VAL 63 N -3.56 0.28 -0.09 5.16 1.01 0.46 -0.83 120.40 122.83 2k3u s VAL 63 Ca 0.03 -0.06 0.04 0.00 0.00 0.00 0.00 61.98 61.99 2k3u s VAL 63 Cb 0.04 -0.30 -0.00 0.00 0.00 0.00 0.00 36.38 36.12 2k3u s VAL 63 CO -0.09 0.12 -0.23 -0.63 0.00 0.00 0.00 175.10 174.27 2k3u s ILE 64 N 0.46 1.98 -0.21 2.22 1.01 0.00 -0.55 121.20 126.11 2k3u s ILE 64 Ca -0.05 -0.98 -0.00 0.00 0.00 0.00 0.00 60.65 59.62 2k3u s ILE 64 Cb -0.08 -1.71 0.02 0.00 0.01 0.00 0.00 42.46 40.70 2k3u s ILE 64 CO -0.01 0.54 -0.12 -0.76 0.00 0.00 0.00 174.94 174.59 2k3u s LEU 65 N 0.29 2.70 0.50 2.97 1.43 -0.64 -1.59 118.68 124.35 2k3u s LEU 65 Ca -0.16 -0.74 0.07 0.00 -1.03 0.00 0.00 54.13 52.27 2k3u s LEU 65 Cb -0.17 -1.59 0.02 0.00 0.03 0.00 0.00 46.19 44.49 2k3u s LEU 65 CO 0.08 -0.06 0.44 0.42 0.23 0.00 0.00 176.35 177.46 2k3u s THR 66 N 1.32 2.05 1.16 5.49 -4.23 -0.93 -1.97 115.64 118.52 2k3u s THR 66 Ca 0.02 -1.39 -0.18 0.00 -1.18 0.00 0.00 61.69 58.97 2k3u s THR 66 Cb -0.15 -2.44 0.19 0.00 1.34 0.00 0.00 72.50 71.44 2k3u s THR 66 CO -0.08 0.00 0.34 -0.62 -0.54 0.00 0.00 174.62 173.72 2k3u n GLU 67 N -1.74 -2.37 -2.38 3.99 1.02 -1.05 -3.84 120.64 114.27 2k3u n GLU 67 Ca 0.02 -0.68 -0.14 0.00 -0.02 0.00 0.00 57.16 56.34 2k3u n GLU 67 Cb 0.63 -1.76 -0.01 0.00 -0.02 0.00 0.00 31.44 30.29 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 -2.71 -4.30 -3.15 1.62 3.02 -1.10 -2.91 115.26 105.73 2k3u n ASN 68 Ca 0.03 0.16 -0.23 0.00 -0.03 0.00 0.00 54.58 54.52 2k3u n ASN 68 Cb 0.55 -3.65 0.03 0.00 -0.61 0.00 0.00 39.78 36.10 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 -2.80 -4.61 -2.83 3.52 5.02 0.29 -4.91 118.16 111.84 2k3u n LYS 69 Ca -0.17 0.78 -0.33 0.00 -2.02 0.00 0.00 58.31 56.58 2k3u n LYS 69 Cb 0.62 -5.61 -0.06 0.00 -0.02 0.00 0.00 35.03 29.95 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 -2.74 2.34 -0.06 0.72 0.00 -1.15 -4.99 107.32 101.45 2k3u s GLY 70 Ca 0.34 0.31 -0.04 0.00 0.00 0.00 0.00 44.72 45.33 2k3u s GLY 70 CO 0.43 0.57 0.14 -0.47 0.00 0.00 0.00 173.10 173.77 2k3u s TYR 71 N -2.20 -0.16 -0.05 1.90 6.14 -1.26 -2.20 117.35 119.53 2k3u s TYR 71 Ca 0.60 0.41 -0.04 0.00 0.64 0.00 0.00 57.07 58.69 2k3u s TYR 71 Cb -0.09 -0.00 0.02 0.00 0.42 0.00 0.00 41.96 42.30 2k3u s TYR 71 CO 0.16 -0.11 0.12 0.71 0.64 0.00 0.00 175.55 177.07 2k3u s TYR 72 N 0.51 -0.13 -0.08 4.97 2.02 -0.62 -4.99 117.35 119.03 2k3u s TYR 72 Ca -0.04 0.33 0.03 0.00 -0.37 0.00 0.00 57.07 57.03 2k3u s TYR 72 Cb -0.05 0.01 -0.01 0.00 -0.40 0.00 0.00 41.96 41.50 2k3u s TYR 72 CO -0.02 -0.08 -0.19 -0.08 -1.57 0.00 0.00 175.55 173.60 2k3u s THR 73 N 0.34 2.57 -0.15 -0.71 -1.32 -1.26 -0.82 115.64 114.28 2k3u s THR 73 Ca -0.02 -0.87 -0.04 0.00 -1.21 0.00 0.00 61.69 59.55 2k3u s THR 73 Cb -0.04 -2.00 0.07 0.00 -1.51 0.00 0.00 72.50 69.02 2k3u s THR 73 CO -0.01 0.56 0.16 -0.69 -2.21 0.00 0.00 174.62 172.43 2k3u s VAL 74 N -0.08 -0.23 -0.28 5.08 1.01 -0.01 -5.01 120.40 120.88 2k3u s VAL 74 Ca -0.04 0.05 -0.28 0.00 0.00 0.00 0.00 61.98 61.70 2k3u s VAL 74 Cb -0.14 -0.50 0.01 0.00 0.00 0.00 0.00 36.38 35.75 2k3u s VAL 74 CO 0.04 -0.10 1.02 -0.31 0.00 0.00 0.00 175.10 175.76 2k3u s TYR 75 N 2.26 3.24 0.07 5.22 1.51 -1.26 -1.23 117.35 127.15 2k3u s TYR 75 Ca 0.04 1.27 0.12 0.00 -1.01 0.00 0.00 57.07 57.49 2k3u s TYR 75 Cb -0.14 -3.45 0.12 0.00 -0.11 0.00 0.00 41.96 38.37 2k3u s TYR 75 CO -0.09 -0.61 1.46 -0.07 -1.11 0.00 0.00 175.55 175.13 2k3u h LEU 76 N 9.73 0.00 0.00 -1.29 3.38 -1.27 -3.22 115.31 122.64 2k3u h LEU 76 Ca -0.20 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.77 2k3u h LEU 76 Cb 1.06 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.81 2k3u h LEU 76 CO 0.99 0.68 0.00 -3.20 0.09 0.00 0.00 178.44 177.00 2k3u n ASN 77 N -3.41 0.00 -3.98 -0.43 5.15 -0.42 -4.54 115.26 107.63 2k3u n ASN 77 Ca 0.00 -0.22 -0.18 0.00 -0.60 0.00 0.00 54.58 53.58 2k3u n ASN 77 Cb 0.75 0.00 -0.15 0.00 -0.53 0.00 0.00 39.78 39.85 2k3u n ASN 77 CO 0.00 0.00 0.00 0.42 1.40 0.00 0.00 177.26 179.08 2k3u s THR 78 N -2.00 0.58 0.72 -0.44 -4.23 -1.22 -5.16 115.64 103.89 2k3u s THR 78 Ca 0.09 -0.28 -0.16 0.00 -1.18 0.00 0.00 61.69 60.16 2k3u s THR 78 Cb 0.04 -0.50 0.02 0.00 1.34 0.00 0.00 72.50 73.40 2k3u s THR 78 CO 0.07 0.17 1.07 -2.65 -0.54 0.00 0.00 174.62 172.75 2k3u n PRO 79 N 3.08 0.56 -1.96 3.99 -0.02 -1.26 -4.90 135.00 134.49 2k3u n PRO 79 Ca -0.15 0.25 -0.42 0.00 -2.02 0.00 0.00 63.50 61.16 2k3u n PRO 79 Cb 0.56 -2.32 -0.03 0.00 -0.02 0.00 0.00 33.50 31.69 2k3u n PRO 79 CO 0.00 0.00 0.00 -1.17 1.98 0.00 0.00 175.50 176.31 2k3u s LEU 80 N -3.81 4.37 0.35 2.45 0.20 -1.26 -5.03 118.68 115.95 2k3u s LEU 80 Ca 0.75 2.61 0.03 0.00 0.69 0.00 0.00 54.13 58.21 2k3u s LEU 80 Cb -0.34 -3.60 -0.04 0.00 -0.43 0.00 0.00 46.19 41.78 2k3u s LEU 80 CO 0.48 -0.80 0.12 0.00 -0.29 0.00 0.00 176.35 175.87 2k3u s ALA 81 N 0.96 2.44 0.44 5.97 0.00 -1.26 -4.98 121.76 125.33 2k3u s ALA 81 Ca 0.68 -1.60 0.24 0.00 0.00 0.00 0.00 51.96 51.28 2k3u s ALA 81 Cb -0.43 0.87 1.25 0.00 0.00 0.00 0.00 23.12 24.82 2k3u s ALA 81 CO 0.33 -0.39 1.76 1.05 0.00 0.00 0.00 175.76 178.51 2k3u h GLU 82 N 2.02 0.25 0.00 0.00 4.11 -1.98 0.83 114.58 119.81 2k3u h GLU 82 Ca -0.36 -0.02 -0.09 0.00 0.07 0.00 0.00 59.36 58.96 2k3u h GLU 82 Cb 1.26 -0.06 -0.01 0.00 0.50 0.00 0.00 28.75 30.44 2k3u h GLU 82 CO 0.58 0.17 -0.44 -0.44 0.07 0.00 0.00 179.01 178.95 2k3u h ASP 83 N 0.26 0.00 0.56 3.06 3.32 -1.98 -3.01 116.42 118.63 2k3u h ASP 83 Ca 0.62 0.00 -0.26 0.00 0.02 0.00 0.00 57.03 57.41 2k3u h ASP 83 Cb 1.84 0.00 -0.04 0.00 0.22 0.00 0.00 39.33 41.34 2k3u h ASP 83 CO -0.25 0.44 -1.62 0.03 -1.72 0.00 0.00 179.24 176.13 2k3u h ARG 84 N 0.00 0.00 0.00 3.56 3.08 -1.28 -3.08 114.38 116.66 2k3u h ARG 84 Ca -0.00 0.00 -0.02 0.00 0.07 0.00 0.00 59.98 60.03 2k3u h ARG 84 Cb 0.91 0.00 -0.00 0.00 0.08 0.00 0.00 29.97 30.96 2k3u h ARG 84 CO 0.06 0.46 -0.08 0.87 -1.07 0.00 0.00 179.97 180.20 2k3u h LYS 85 N 0.00 0.00 0.00 0.04 1.57 -1.15 0.80 116.57 117.83 2k3u h LYS 85 Ca -0.25 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.53 2k3u h LYS 85 Cb 1.91 0.00 0.00 0.00 0.08 0.00 0.00 32.23 34.22 2k3u h LYS 85 CO 0.07 0.08 0.00 0.09 -0.57 0.00 0.00 179.45 179.13 2k3u n ASN 86 N -4.13 0.50 -4.77 0.86 3.02 -1.15 -4.05 115.26 105.55 2k3u n ASN 86 Ca -0.03 -0.87 -0.40 0.00 -0.03 0.00 0.00 54.58 53.26 2k3u n ASN 86 Cb 0.17 0.12 -0.02 0.00 -0.61 0.00 0.00 39.78 39.43 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 -0.12 2.94 -0.09 2.41 0.11 -1.16 -5.04 120.40 119.45 2k3u s VAL 87 Ca 0.00 0.90 -0.02 0.00 -2.93 0.00 0.00 61.98 59.93 2k3u s VAL 87 Cb 0.00 -3.55 -0.03 0.00 -1.53 0.00 0.00 36.38 31.27 2k3u s VAL 87 CO 0.00 0.17 0.00 -1.61 -3.33 0.00 0.00 175.10 170.34 2k3u s GLU 88 N -1.91 3.02 0.44 1.54 2.02 -1.26 -3.46 118.70 119.09 2k3u s GLU 88 Ca 0.51 -0.41 -0.21 0.00 0.02 0.00 0.00 54.97 54.88 2k3u s GLU 88 Cb -0.36 -2.81 -0.10 0.00 0.10 0.00 0.00 34.13 30.96 2k3u s GLU 88 CO 0.47 0.68 0.98 -0.51 0.02 0.00 0.00 175.26 176.90 2k3u s LEU 89 N -0.83 3.95 0.47 1.80 1.43 0.03 -4.99 118.68 120.53 2k3u s LEU 89 Ca 0.13 1.79 0.24 0.00 -1.03 0.00 0.00 54.13 55.26 2k3u s LEU 89 Cb -0.11 -4.50 1.12 0.00 0.03 0.00 0.00 46.19 42.73 2k3u s LEU 89 CO 0.02 -0.47 1.93 -0.07 0.23 0.00 0.00 176.35 177.99 2k3u h LEU 90 N 1.91 0.00 0.00 1.79 3.38 -1.90 -3.48 115.31 117.01 2k3u h LEU 90 Ca -0.49 0.00 0.06 0.00 0.09 0.00 0.00 57.88 57.54 2k3u h LEU 90 Cb 1.19 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.94 2k3u h LEU 90 CO 0.61 0.20 0.26 0.61 0.09 0.00 0.00 178.44 180.21 2k3u n GLY 91 N -0.26 1.09 3.75 0.83 0.00 -1.22 -4.46 105.19 104.92 2k3u n GLY 91 Ca -0.01 -1.06 -0.33 0.00 0.00 0.00 0.00 46.02 44.61 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 -2.03 2.48 -0.48 1.61 2.47 -1.26 -4.52 119.74 118.00 2k3u s LYS 92 Ca 0.11 1.51 -0.12 0.00 -1.56 0.00 0.00 55.97 55.90 2k3u s LYS 92 Cb -0.02 -1.90 -0.12 0.00 -1.46 0.00 0.00 37.83 34.33 2k3u s LYS 92 CO 0.04 -1.52 1.68 -0.12 0.16 0.00 0.00 175.35 175.59 2k3u n MET 93 N -2.64 1.04 -0.14 4.03 0.00 -0.72 -2.52 117.12 116.16 2k3u n MET 93 Ca 0.11 -1.22 -0.08 0.00 0.00 0.00 0.00 57.70 56.51 2k3u n MET 93 Cb 0.51 -2.45 0.00 0.00 0.00 0.00 0.00 33.22 31.29 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 7.77 0.58 -3.91 1.12 3.20 -1.38 -3.07 116.97 121.27 2k3u h TYR 94 Ca 0.31 -0.01 -0.13 0.00 3.14 0.00 0.00 58.73 62.04 2k3u h TYR 94 Cb 0.33 -0.19 -0.17 0.00 1.54 0.00 0.00 36.73 38.24 2k3u h TYR 94 CO 1.65 0.42 -0.56 0.15 -1.64 0.00 0.00 178.16 178.18 2k3u s LYS 95 N -5.93 0.59 0.01 1.82 -0.14 -0.83 -1.73 119.74 113.52 2k3u s LYS 95 Ca -0.13 -0.85 -0.02 0.00 -1.36 0.00 0.00 55.97 53.61 2k3u s LYS 95 Cb 0.11 0.22 -0.01 0.00 -1.68 0.00 0.00 37.83 36.47 2k3u s LYS 95 CO 0.74 -0.14 0.01 0.99 -0.76 0.00 0.00 175.35 176.19 2k3u s THR 96 N -2.87 0.08 -0.02 2.17 2.01 -0.34 -1.62 115.64 115.05 2k3u s THR 96 Ca -0.03 -0.67 0.04 0.00 0.31 0.00 0.00 61.69 61.34 2k3u s THR 96 Cb 0.00 -0.25 -0.01 0.00 0.01 0.00 0.00 72.50 72.26 2k3u s THR 96 CO -0.06 -0.37 -0.13 -0.31 -0.69 0.00 0.00 174.62 173.06 2k3u s TYR 97 N -1.12 1.25 -0.00 4.92 1.51 0.29 -1.34 117.35 122.85 2k3u s TYR 97 Ca -0.12 -0.27 0.04 0.00 -1.01 0.00 0.00 57.07 55.70 2k3u s TYR 97 Cb -0.07 -0.82 -0.01 0.00 -0.11 0.00 0.00 41.96 40.94 2k3u s TYR 97 CO -0.00 -0.06 -0.12 -0.06 -1.11 0.00 0.00 175.55 174.20 2k3u s PHE 98 N -0.16 1.07 -0.08 2.71 0.40 -0.05 -0.40 117.98 121.47 2k3u s PHE 98 Ca 0.02 -0.22 0.02 0.00 -0.60 0.00 0.00 56.93 56.15 2k3u s PHE 98 Cb -0.07 -0.68 0.01 0.00 0.51 0.00 0.00 43.02 42.79 2k3u s PHE 98 CO 0.00 -0.01 -0.15 -0.06 0.70 0.00 0.00 175.22 175.70 2k3u s PHE 99 N -0.37 1.73 0.74 0.36 0.40 -0.41 -1.05 117.98 119.37 2k3u s PHE 99 Ca 0.04 -0.69 -0.11 0.00 -0.60 0.00 0.00 56.93 55.56 2k3u s PHE 99 Cb -0.05 -1.24 0.03 0.00 0.51 0.00 0.00 43.02 42.27 2k3u s PHE 99 CO -0.00 -0.34 1.09 0.15 0.70 0.00 0.00 175.22 176.82 2k3u s LYS 100 N 0.69 2.60 -0.46 0.44 1.02 -1.26 -0.97 119.74 121.80 2k3u s LYS 100 Ca -0.13 0.56 -0.41 0.00 0.02 0.00 0.00 55.97 56.00 2k3u s LYS 100 Cb -0.16 -1.98 -0.17 0.00 -0.52 0.00 0.00 37.83 35.00 2k3u s LYS 100 CO 0.03 -1.24 2.16 1.63 -0.92 0.00 0.00 175.35 177.01 2k3u n LYS 101 N -3.16 0.31 -1.74 1.68 5.02 -0.21 -1.60 118.16 118.46 2k3u n LYS 101 Ca 0.07 0.08 -0.08 0.00 -2.02 0.00 0.00 58.31 56.37 2k3u n LYS 101 Cb 0.57 -1.77 -0.02 0.00 -0.02 0.00 0.00 35.03 33.79 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 7.23 0.46 3.41 0.72 0.00 -1.26 -5.05 105.19 110.70 2k3u n GLY 102 Ca 0.51 -0.63 -0.23 0.00 0.00 0.00 0.00 46.02 45.68 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 -3.62 1.51 0.00 1.61 0.41 -0.63 -5.08 118.70 112.91 2k3u s GLU 103 Ca 0.00 -1.63 0.00 0.00 -0.41 0.00 0.00 54.97 52.93 2k3u s GLU 103 Cb 0.00 -1.59 0.00 0.00 -1.78 0.00 0.00 34.13 30.76 2k3u s GLU 103 CO 0.00 0.31 0.33 -1.13 -0.49 0.00 0.00 175.26 174.28 2k3u n SER 104 N -0.24 0.40 -4.12 -0.19 3.41 -1.26 -4.64 113.62 106.97 2k3u n SER 104 Ca -0.08 -1.11 -0.26 0.00 -0.26 0.00 0.00 58.87 57.16 2k3u n SER 104 Cb 0.59 0.00 -0.16 0.00 -0.26 0.00 0.00 64.21 64.38 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 -0.11 1.78 0.97 4.33 2.20 -1.26 -5.14 119.74 122.50 2k3u s LYS 105 Ca 0.00 -0.59 -0.11 0.00 -0.36 0.00 0.00 55.97 54.91 2k3u s LYS 105 Cb 0.00 -1.53 0.17 0.00 -1.51 0.00 0.00 37.83 34.96 2k3u s LYS 105 CO 0.00 0.22 1.10 -1.54 -0.36 0.00 0.00 175.35 174.77 2k3u s SER 106 N 0.10 2.59 0.00 1.43 1.04 -1.26 -4.80 113.70 112.80 2k3u s SER 106 Ca -0.05 1.90 0.00 0.00 0.48 0.00 0.00 55.95 58.28 2k3u s SER 106 Cb -0.12 -2.45 0.00 0.00 0.10 0.00 0.00 66.02 63.55 2k3u s SER 106 CO 0.02 -3.26 0.00 -0.24 0.98 0.00 0.00 173.24 170.74 2k3u n SER 107 N -4.32 1.23 -4.19 7.02 2.88 -0.22 -4.97 113.62 111.05 2k3u n SER 107 Ca 0.09 -0.06 -0.26 0.00 -1.33 0.00 0.00 58.87 57.31 2k3u n SER 107 Cb 0.53 0.36 -0.15 0.00 -0.75 0.00 0.00 64.21 64.20 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 -0.61 1.71 0.03 0.66 5.04 -1.21 -5.02 117.35 117.96 2k3u s TYR 108 Ca 0.00 -0.32 -0.03 0.00 -2.44 0.00 0.00 57.07 54.28 2k3u s TYR 108 Cb 0.00 -1.10 -0.02 0.00 0.35 0.00 0.00 41.96 41.19 2k3u s TYR 108 CO 0.00 -0.03 0.04 0.14 -1.34 0.00 0.00 175.55 174.36 2k3u s VAL 109 N -0.45 0.14 -0.08 3.14 -7.23 -1.26 -0.87 120.40 113.79 2k3u s VAL 109 Ca 0.07 -1.15 -0.06 0.00 -1.81 0.00 0.00 61.98 59.03 2k3u s VAL 109 Cb -0.07 -0.79 0.02 0.00 0.56 0.00 0.00 36.38 36.10 2k3u s VAL 109 CO -0.01 -0.63 0.20 -0.63 -0.31 0.00 0.00 175.10 173.72 2k3u s ILE 110 N -2.42 -0.01 -0.10 -0.62 1.01 -0.45 -5.00 121.20 113.60 2k3u s ILE 110 Ca -0.07 0.04 0.01 0.00 0.00 0.00 0.00 60.65 60.63 2k3u s ILE 110 Cb -0.03 -0.29 -0.02 0.00 0.01 0.00 0.00 42.46 42.13 2k3u s ILE 110 CO -0.04 0.01 -0.13 0.20 0.00 0.00 0.00 174.94 174.99 2k3u s ASN 111 N 0.36 4.08 0.08 3.58 0.01 -1.26 -1.20 114.94 120.58 2k3u s ASN 111 Ca -0.02 -0.27 -0.01 0.00 -0.71 0.00 0.00 52.86 51.85 2k3u s ASN 111 Cb -0.03 -1.37 0.00 0.00 0.41 0.00 0.00 41.25 40.26 2k3u s ASN 111 CO -0.01 0.23 0.11 0.61 -1.51 0.00 0.00 177.10 176.53 2k3u n GLY 112 N 3.11 2.74 3.73 0.66 0.00 -0.71 -5.00 105.19 109.72 2k3u n GLY 112 Ca -0.18 -1.37 -0.41 0.00 0.00 0.00 0.00 46.02 44.06 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 -2.15 4.46 0.00 1.61 0.04 -1.16 -4.39 135.00 133.41 2k3u s PRO 113 Ca 0.06 1.89 0.00 0.00 0.04 0.00 0.00 61.00 62.99 2k3u s PRO 113 Cb -0.00 -3.25 0.00 0.00 0.04 0.00 0.00 34.50 31.29 2k3u s PRO 113 CO 0.04 -0.15 0.00 0.41 0.04 0.00 0.00 177.00 177.34 2k3u n GLY 114 N 2.41 0.17 4.83 0.56 0.00 -1.26 -1.76 105.19 110.14 2k3u n GLY 114 Ca 0.05 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.07 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 -3.57 1.61 4.81 -1.26 -4.64 118.16 115.10 2k3u n LYS 115 Ca 0.00 0.00 -0.08 0.00 -0.87 0.00 0.00 58.31 57.36 2k3u n LYS 115 Cb 0.00 -0.75 -0.04 0.00 0.02 0.00 0.00 35.03 34.26 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 0.10 3.15 -1.32 -1.26 -5.04 115.64 111.27 2k3u s THR 116 Ca 0.00 0.00 0.17 0.00 -1.21 0.00 0.00 61.69 60.65 2k3u s THR 116 Cb 0.00 -1.00 0.09 0.00 -1.51 0.00 0.00 72.50 70.08 2k3u s THR 116 CO 0.00 0.00 1.64 0.78 -2.21 0.00 0.00 174.62 174.83 2k3u h ASN 117 N 2.31 0.00 0.00 8.08 4.21 -1.85 -3.35 115.58 124.97 2k3u h ASN 117 Ca -0.17 0.00 0.00 0.00 1.21 0.00 0.00 56.30 57.34 2k3u h ASN 117 Cb 1.18 0.00 0.00 0.00 -1.12 0.00 0.00 38.32 38.38 2k3u h ASN 117 CO 0.29 0.46 0.00 -0.62 -1.29 0.00 0.00 177.43 176.26 2k3u n GLU 118 N -3.47 0.47 -1.51 0.81 -0.58 -1.26 -0.54 120.64 114.56 2k3u n GLU 118 Ca 0.00 0.00 0.06 0.00 -0.42 0.00 0.00 57.16 56.80 2k3u n GLU 118 Cb 0.59 -1.24 -0.03 0.00 -0.57 0.00 0.00 31.44 30.19 2k3u n GLU 118 CO 0.00 0.00 0.00 2.48 -0.48 0.00 0.00 177.13 179.13 2k3u n TYR 119 N 0.30 -3.90 -3.03 -0.32 0.18 -1.26 -4.84 117.16 104.29 2k3u n TYR 119 Ca 0.00 2.13 -0.16 0.00 1.88 0.00 0.00 57.90 61.75 2k3u n TYR 119 Cb 0.12 -3.36 -0.03 0.00 -0.38 0.00 0.00 39.34 35.69 2k3u n TYR 119 CO 0.00 0.00 0.00 0.00 -2.08 0.00 0.00 176.86 174.78 2k3u n ALA 120 N -3.21 0.64 -0.86 -3.48 0.00 -1.26 -4.87 120.51 107.46 2k3u n ALA 120 Ca -0.03 -2.34 0.00 0.00 0.00 0.00 0.00 53.44 51.07 2k3u n ALA 120 Cb 0.53 -1.07 0.00 0.00 0.00 0.00 0.00 19.45 18.90 2k3u n ALA 120 CO 0.00 0.00 0.00 0.98 0.00 0.00 0.00 177.50 178.48