#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 -5.16 113.62 116.49 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 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.46 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 -0.97 4.34 2.56 0.46 0.00 -1.26 -5.11 105.19 105.21 2k3u n GLY 33 Ca 0.00 -0.68 -0.24 0.00 0.00 0.00 0.00 46.02 45.10 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 0.63 -0.08 0.99 1.43 -1.26 -5.12 118.68 115.26 2k3u s LEU 34 Ca 0.00 -2.10 -0.30 0.00 -1.03 0.00 0.00 54.13 50.71 2k3u s LEU 34 Cb 0.00 -0.03 -0.03 0.00 0.03 0.00 0.00 46.19 46.16 2k3u s LEU 34 CO 0.00 -0.27 1.34 -2.16 0.23 0.00 0.00 176.35 175.49 2k3u s PRO 35 N 1.05 4.26 -0.07 1.29 0.04 -1.26 -4.86 135.00 135.45 2k3u s PRO 35 Ca 0.20 1.82 0.10 0.00 0.04 0.00 0.00 61.00 63.16 2k3u s PRO 35 Cb -0.17 -3.70 0.17 0.00 0.04 0.00 0.00 34.50 30.84 2k3u s PRO 35 CO -0.03 -0.64 1.09 -2.37 0.04 0.00 0.00 177.00 175.09 2k3u n THR 36 N 5.04 0.97 -4.30 1.26 5.66 -1.26 -5.02 114.28 116.63 2k3u n THR 36 Ca 0.14 -1.24 -0.18 0.00 -3.05 0.00 0.00 64.05 59.72 2k3u n THR 36 Cb 0.44 0.15 -0.14 0.00 -1.55 0.00 0.00 70.33 69.23 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 -1.47 0.68 0.41 1.09 -4.23 -1.26 -0.65 115.64 110.20 2k3u s THR 37 Ca 0.18 -0.47 0.09 0.00 -1.18 0.00 0.00 61.69 60.31 2k3u s THR 37 Cb 0.16 -0.59 0.29 0.00 1.34 0.00 0.00 72.50 73.71 2k3u s THR 37 CO 0.00 0.12 2.01 0.25 -0.54 0.00 0.00 174.62 176.46 2k3u h LEU 38 N 5.72 0.49 -1.44 4.79 6.46 -1.56 -2.30 115.31 127.46 2k3u h LEU 38 Ca -0.31 -0.00 0.20 0.00 -0.12 0.00 0.00 57.88 57.65 2k3u h LEU 38 Cb 1.18 -0.11 -0.07 0.00 -0.73 0.00 0.00 40.66 40.93 2k3u h LEU 38 CO 0.48 0.32 0.60 1.23 -0.62 0.00 0.00 178.44 180.46 2k3u h GLY 39 N 0.56 1.00 1.46 3.75 0.00 -1.58 0.88 103.07 109.14 2k3u h GLY 39 Ca 0.23 -0.21 -0.26 0.00 0.00 0.00 0.00 47.33 47.09 2k3u h GLY 39 CO -0.06 -0.01 -1.37 0.50 0.00 0.00 0.00 176.54 175.59 2k3u h LYS 40 N 0.46 0.05 -0.26 4.80 1.57 -1.68 -3.28 116.57 118.22 2k3u h LYS 40 Ca 0.49 -0.08 -0.14 0.00 -1.87 0.00 0.00 60.65 59.05 2k3u h LYS 40 Cb 1.14 0.03 -0.00 0.00 0.08 0.00 0.00 32.23 33.47 2k3u h LYS 40 CO -0.20 0.83 -0.37 1.25 -0.57 0.00 0.00 179.45 180.38 2k3u h LEU 41 N 0.01 0.78 -0.90 2.94 5.85 -1.21 -3.11 115.31 119.67 2k3u h LEU 41 Ca -0.16 -0.51 0.06 0.00 0.84 0.00 0.00 57.88 58.11 2k3u h LEU 41 Cb 1.91 -0.22 -0.06 0.00 0.37 0.00 0.00 40.66 42.66 2k3u h LEU 41 CO 0.12 1.14 0.57 -0.78 -0.34 0.00 0.00 178.44 179.14 2k3u h ASP 42 N 0.45 0.91 -0.55 1.25 1.82 -1.01 0.72 116.42 120.00 2k3u h ASP 42 Ca 0.03 0.01 -0.01 0.00 -0.39 0.00 0.00 57.03 56.67 2k3u h ASP 42 Cb 0.96 -0.18 -0.03 0.00 0.68 0.00 0.00 39.33 40.76 2k3u h ASP 42 CO 0.09 0.59 0.33 -0.08 -1.61 0.00 0.00 179.24 178.55 2k3u h GLU 43 N 1.05 0.77 0.01 0.28 4.81 -1.62 -0.54 114.58 119.34 2k3u h GLU 43 Ca 0.39 -0.07 -0.00 0.00 -0.13 0.00 0.00 59.36 59.55 2k3u h GLU 43 Cb 0.14 -0.16 0.00 0.00 0.63 0.00 0.00 28.75 29.36 2k3u h GLU 43 CO -0.16 0.56 -0.00 -0.09 -0.73 0.00 0.00 179.01 178.58 2k3u h ARG 44 N 0.78 -0.01 -0.64 1.92 9.65 -1.24 -3.23 114.38 121.62 2k3u h ARG 44 Ca 0.20 0.00 -0.03 0.00 -1.10 0.00 0.00 59.98 59.05 2k3u h ARG 44 Cb -0.00 0.00 -0.03 0.00 -1.39 0.00 0.00 29.97 28.55 2k3u h ARG 44 CO -0.04 0.59 0.26 -0.07 2.80 0.00 0.00 179.97 183.52 2k3u h LEU 45 N -0.62 0.85 -1.34 3.80 3.38 -0.52 0.21 115.31 121.07 2k3u h LEU 45 Ca -0.00 -0.11 -0.06 0.00 0.09 0.00 0.00 57.88 57.79 2k3u h LEU 45 Cb 0.61 -0.22 -0.01 0.00 0.09 0.00 0.00 40.66 41.13 2k3u h LEU 45 CO 0.00 0.76 -0.31 0.03 0.09 0.00 0.00 178.44 179.01 2k3u h ARG 46 N 0.92 0.00 0.00 1.13 3.08 -1.25 -1.54 114.38 116.71 2k3u h ARG 46 Ca 0.22 0.00 -0.25 0.00 0.07 0.00 0.00 59.98 60.01 2k3u h ARG 46 Cb 0.17 0.00 0.01 0.00 0.08 0.00 0.00 29.97 30.23 2k3u h ARG 46 CO -0.02 0.31 -1.01 -0.91 -1.07 0.00 0.00 179.97 177.26 2k3u h ASN 47 N 0.00 0.77 -0.72 7.04 2.35 -1.33 -3.32 115.58 120.38 2k3u h ASN 47 Ca -0.00 -0.62 0.03 0.00 -0.55 0.00 0.00 56.30 55.15 2k3u h ASN 47 Cb 0.64 -0.24 -0.04 0.00 0.05 0.00 0.00 38.32 38.73 2k3u h ASN 47 CO 0.04 1.42 0.48 1.88 -1.65 0.00 0.00 177.43 179.60 2k3u h TYR 48 N 0.33 0.86 -0.98 1.19 -1.99 -0.12 -1.43 116.97 114.84 2k3u h TYR 48 Ca -0.11 0.02 0.10 0.00 2.00 0.00 0.00 58.73 60.73 2k3u h TYR 48 Cb 1.66 -0.29 -0.07 0.00 2.00 0.00 0.00 36.73 40.03 2k3u h TYR 48 CO 0.09 0.51 0.62 -0.07 -0.00 0.00 0.00 178.16 179.32 2k3u h LEU 49 N 0.90 0.93 -0.10 3.88 3.38 -1.39 0.26 115.31 123.18 2k3u h LEU 49 Ca 0.28 0.03 -0.08 0.00 0.09 0.00 0.00 57.88 58.20 2k3u h LEU 49 Cb 0.01 -0.17 0.00 0.00 0.09 0.00 0.00 40.66 40.59 2k3u h LEU 49 CO -0.07 0.55 -0.24 0.11 0.09 0.00 0.00 178.44 178.87 2k3u h LYS 50 N 1.03 0.35 0.00 1.13 1.57 -1.38 -0.62 116.57 118.65 2k3u h LYS 50 Ca 0.45 -0.24 -0.01 0.00 -1.87 0.00 0.00 60.65 58.99 2k3u h LYS 50 Cb 0.36 0.03 -0.00 0.00 0.08 0.00 0.00 32.23 32.70 2k3u h LYS 50 CO -0.21 0.84 -0.05 0.87 -0.57 0.00 0.00 179.45 180.33 2k3u h LYS 51 N -0.09 0.00 0.00 3.15 1.57 -1.29 -3.35 116.57 116.56 2k3u h LYS 51 Ca -0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 2k3u h LYS 51 Cb 0.84 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.15 2k3u h LYS 51 CO 0.05 0.05 -0.54 0.41 -0.57 0.00 0.00 179.45 178.86 2k3u n GLY 52 N -0.85 0.36 3.33 3.86 0.00 0.91 -5.04 105.19 107.75 2k3u n GLY 52 Ca -0.02 -0.10 -0.17 0.00 0.00 0.00 0.00 46.02 45.73 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 -1.68 1.20 0.13 2.61 -4.23 -0.25 -4.99 115.64 108.43 2k3u s THR 53 Ca 0.00 -2.06 -0.14 0.00 -1.18 0.00 0.00 61.69 58.31 2k3u s THR 53 Cb 0.03 -2.25 -0.00 0.00 1.34 0.00 0.00 72.50 71.61 2k3u s THR 53 CO 0.15 -0.41 1.60 0.11 -0.54 0.00 0.00 174.62 175.53 2k3u h LYS 54 N 2.50 0.74 -1.47 3.99 1.57 -1.88 -3.45 116.57 118.56 2k3u h LYS 54 Ca -0.38 -0.21 -0.07 0.00 -1.87 0.00 0.00 60.65 58.12 2k3u h LYS 54 Cb 1.22 -0.08 -0.26 0.00 0.08 0.00 0.00 32.23 33.19 2k3u h LYS 54 CO 0.65 0.78 -0.42 1.21 -0.57 0.00 0.00 179.45 181.09 2k3u s ASN 55 N -6.18 -0.44 0.57 0.86 2.47 -1.26 -5.04 114.94 105.93 2k3u s ASN 55 Ca -0.13 0.23 0.30 0.00 0.42 0.00 0.00 52.86 53.68 2k3u s ASN 55 Cb 0.11 1.53 1.73 0.00 -1.45 0.00 0.00 41.25 43.17 2k3u s ASN 55 CO 0.79 -0.30 2.20 -1.28 -3.72 0.00 0.00 177.10 174.78 2k3u h SER 56 N 8.10 0.00 0.22 -4.21 0.87 -1.87 -3.33 113.55 113.33 2k3u h SER 56 Ca -0.15 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.41 2k3u h SER 56 Cb 1.15 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 63.11 2k3u h SER 56 CO 0.25 0.04 0.00 0.00 -0.53 0.00 0.00 176.83 176.59 2k3u n ALA 57 N -2.29 1.75 0.21 6.23 0.00 -1.26 -1.87 120.51 123.29 2k3u n ALA 57 Ca -0.03 -0.06 0.12 0.00 0.00 0.00 0.00 53.44 53.47 2k3u n ALA 57 Cb 0.14 -1.20 0.10 0.00 0.00 0.00 0.00 19.45 18.49 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 -6.72 0.00 3.07 -1.99 -3.48 115.11 105.99 2k3u h GLN 58 Ca 0.00 0.00 -0.49 0.00 0.09 0.00 0.00 58.65 58.25 2k3u h GLN 58 Cb 0.11 0.00 -0.03 0.00 0.08 0.00 0.00 27.48 27.64 2k3u h GLN 58 CO 0.00 0.00 0.17 -0.06 0.09 0.00 0.00 178.83 179.03 2k3u s PHE 59 N -3.28 3.55 0.00 0.06 0.08 -0.78 -0.74 117.98 116.87 2k3u s PHE 59 Ca 0.04 1.44 0.00 0.00 0.12 0.00 0.00 56.93 58.53 2k3u s PHE 59 Cb 0.08 -2.68 0.00 0.00 -0.57 0.00 0.00 43.02 39.85 2k3u s PHE 59 CO 0.73 0.21 0.00 -0.85 -0.10 0.00 0.00 175.22 175.21 2k3u n GLU 60 N 0.29 2.06 -3.97 0.44 0.28 -0.19 -4.56 120.64 114.99 2k3u n GLU 60 Ca 0.01 0.00 -0.10 0.00 -0.16 0.00 0.00 57.16 56.91 2k3u n GLU 60 Cb 0.52 -0.89 -0.04 0.00 1.43 0.00 0.00 31.44 32.46 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 -1.66 1.74 0.09 3.44 -2.85 -1.21 -0.32 119.74 118.98 2k3u s LYS 61 Ca 0.00 -1.34 -0.07 0.00 -1.00 0.00 0.00 55.97 53.56 2k3u s LYS 61 Cb 0.00 0.51 -0.01 0.00 -2.06 0.00 0.00 37.83 36.26 2k3u s LYS 61 CO 0.00 -0.75 0.16 0.00 0.10 0.00 0.00 175.35 174.86 2k3u s MET 62 N -3.60 0.85 -0.06 1.78 0.23 -0.02 -1.58 119.30 116.91 2k3u s MET 62 Ca 0.21 -1.06 -0.02 0.00 -1.03 0.00 0.00 55.69 53.79 2k3u s MET 62 Cb -0.02 0.32 0.04 0.00 -1.53 0.00 0.00 34.83 33.64 2k3u s MET 62 CO 0.11 -0.26 0.10 0.54 -2.03 0.00 0.00 175.02 173.48 2k3u s VAL 63 N -3.90 -0.16 -0.13 5.16 0.11 0.39 -1.05 120.40 120.83 2k3u s VAL 63 Ca 0.08 0.37 -0.12 0.00 -2.93 0.00 0.00 61.98 59.37 2k3u s VAL 63 Cb 0.05 -0.21 -0.05 0.00 -1.53 0.00 0.00 36.38 34.65 2k3u s VAL 63 CO -0.09 0.15 0.27 -0.63 -3.33 0.00 0.00 175.10 171.48 2k3u s ILE 64 N 2.06 5.30 -0.17 7.04 1.09 -0.18 -0.95 121.20 135.39 2k3u s ILE 64 Ca 0.02 0.51 0.00 0.00 -1.10 0.00 0.00 60.65 60.08 2k3u s ILE 64 Cb -0.12 -3.59 0.01 0.00 -1.06 0.00 0.00 42.46 37.70 2k3u s ILE 64 CO -0.04 0.47 -0.17 -0.76 -0.10 0.00 0.00 174.94 174.33 2k3u s LEU 65 N -0.09 2.30 0.48 2.97 1.43 0.04 -1.26 118.68 124.55 2k3u s LEU 65 Ca 0.17 -0.57 0.06 0.00 -1.03 0.00 0.00 54.13 52.76 2k3u s LEU 65 Cb -0.13 -1.53 -0.00 0.00 0.03 0.00 0.00 46.19 44.56 2k3u s LEU 65 CO 0.05 0.03 0.30 0.42 0.23 0.00 0.00 176.35 177.38 2k3u s THR 66 N 1.12 1.98 1.06 5.49 -4.23 -0.69 -1.95 115.64 118.42 2k3u s THR 66 Ca 0.01 -1.57 -0.16 0.00 -1.18 0.00 0.00 61.69 58.78 2k3u s THR 66 Cb -0.14 -2.55 0.08 0.00 1.34 0.00 0.00 72.50 71.23 2k3u s THR 66 CO -0.07 0.00 0.18 -0.62 -0.54 0.00 0.00 174.62 173.57 2k3u n GLU 67 N -1.53 -1.14 -3.32 3.99 1.02 -0.74 -3.66 120.64 115.26 2k3u n GLU 67 Ca -0.02 -0.31 -0.24 0.00 -0.02 0.00 0.00 57.16 56.57 2k3u n GLU 67 Cb 0.64 -1.77 0.02 0.00 -0.02 0.00 0.00 31.44 30.31 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 -1.63 -5.02 -1.56 1.62 3.02 -0.95 -3.13 115.26 107.62 2k3u n ASN 68 Ca 0.03 -0.41 -0.20 0.00 -0.03 0.00 0.00 54.58 53.97 2k3u n ASN 68 Cb 0.59 -4.07 -0.08 0.00 -0.61 0.00 0.00 39.78 35.61 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 -4.07 -1.40 -2.02 3.52 5.02 0.10 -4.89 118.16 114.41 2k3u n LYS 69 Ca -0.04 1.20 -0.39 0.00 -2.02 0.00 0.00 58.31 57.05 2k3u n LYS 69 Cb 0.57 -5.56 -0.00 0.00 -0.02 0.00 0.00 35.03 30.02 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 -2.77 2.92 -0.10 0.72 0.00 -1.18 -4.91 107.32 102.00 2k3u s GLY 70 Ca 0.00 1.27 -0.04 0.00 0.00 0.00 0.00 44.72 45.94 2k3u s GLY 70 CO 0.00 1.85 0.22 -0.47 0.00 0.00 0.00 173.10 174.70 2k3u s TYR 71 N -1.25 -0.29 -0.18 1.90 6.14 -1.26 -1.71 117.35 120.71 2k3u s TYR 71 Ca 0.57 0.73 -0.04 0.00 0.64 0.00 0.00 57.07 58.98 2k3u s TYR 71 Cb -0.39 -0.03 0.08 0.00 0.42 0.00 0.00 41.96 42.04 2k3u s TYR 71 CO 0.50 -0.25 0.19 0.71 0.64 0.00 0.00 175.55 177.34 2k3u s TYR 72 N 1.58 -0.18 0.01 4.97 2.02 -0.39 -4.98 117.35 120.37 2k3u s TYR 72 Ca -0.06 0.21 -0.15 0.00 -0.37 0.00 0.00 57.07 56.70 2k3u s TYR 72 Cb -0.11 -0.39 -0.06 0.00 -0.40 0.00 0.00 41.96 41.00 2k3u s TYR 72 CO -0.08 -0.53 0.43 -0.08 -1.57 0.00 0.00 175.55 173.72 2k3u s THR 73 N 2.29 5.00 -0.09 -0.71 -1.32 -1.26 -1.01 115.64 118.54 2k3u s THR 73 Ca 0.05 0.88 -0.06 0.00 -1.21 0.00 0.00 61.69 61.36 2k3u s THR 73 Cb -0.15 -3.73 0.03 0.00 -1.51 0.00 0.00 72.50 67.14 2k3u s THR 73 CO -0.10 0.57 0.22 -0.69 -2.21 0.00 0.00 174.62 172.41 2k3u s VAL 74 N -1.06 -0.02 0.29 5.08 1.01 -0.21 -5.00 120.40 120.49 2k3u s VAL 74 Ca 0.24 0.09 -0.16 0.00 0.00 0.00 0.00 61.98 62.15 2k3u s VAL 74 Cb -0.17 -0.33 -0.09 0.00 0.00 0.00 0.00 36.38 35.79 2k3u s VAL 74 CO 0.14 0.04 0.73 -0.31 0.00 0.00 0.00 175.10 175.70 2k3u s TYR 75 N 0.76 3.47 -1.14 5.22 1.51 -1.26 -0.84 117.35 125.07 2k3u s TYR 75 Ca -0.05 1.27 0.12 0.00 -1.01 0.00 0.00 57.07 57.40 2k3u s TYR 75 Cb -0.07 -2.56 0.01 0.00 -0.11 0.00 0.00 41.96 39.23 2k3u s TYR 75 CO -0.04 0.18 0.72 1.28 -1.11 0.00 0.00 175.55 176.57 2k3u n LEU 76 N 0.01 1.42 0.22 -1.29 4.77 0.57 -4.38 117.00 118.31 2k3u n LEU 76 Ca 0.01 -0.79 0.06 0.00 -0.03 0.00 0.00 56.01 55.26 2k3u n LEU 76 Cb 0.52 0.00 0.50 0.00 -2.33 0.00 0.00 43.42 42.12 2k3u n LEU 76 CO 0.42 0.28 0.85 0.78 -1.33 0.00 0.00 177.39 178.39 2k3u h ASN 77 N 1.45 0.00 -5.01 -1.43 2.35 -1.79 -3.45 115.58 107.69 2k3u h ASN 77 Ca 0.00 0.00 -0.13 0.00 -0.55 0.00 0.00 56.30 55.62 2k3u h ASN 77 Cb 0.42 0.00 -0.19 0.00 0.05 0.00 0.00 38.32 38.59 2k3u h ASN 77 CO 0.00 0.24 -0.43 0.42 -1.65 0.00 0.00 177.43 176.01 2k3u s THR 78 N -4.33 0.09 0.26 2.81 -4.23 -1.26 -5.15 115.64 103.83 2k3u s THR 78 Ca -0.03 -0.73 -0.31 0.00 -1.18 0.00 0.00 61.69 59.44 2k3u s THR 78 Cb 0.14 -0.61 -0.12 0.00 1.34 0.00 0.00 72.50 73.25 2k3u s THR 78 CO 0.68 -0.40 1.55 -2.65 -0.54 0.00 0.00 174.62 173.25 2k3u n PRO 79 N 1.18 2.44 -1.57 3.99 -0.02 -1.26 -4.82 135.00 134.95 2k3u n PRO 79 Ca -0.21 0.87 -0.34 0.00 -2.02 0.00 0.00 63.50 61.79 2k3u n PRO 79 Cb 0.57 -2.62 0.08 0.00 -0.02 0.00 0.00 33.50 31.51 2k3u n PRO 79 CO 0.00 0.00 0.00 -0.48 1.98 0.00 0.00 175.50 177.00 2k3u s LEU 80 N 0.01 3.39 0.75 2.45 2.34 -1.26 -5.00 118.68 121.35 2k3u s LEU 80 Ca 0.68 2.33 -0.13 0.00 0.06 0.00 0.00 54.13 57.06 2k3u s LEU 80 Cb -0.56 -4.59 0.05 0.00 -0.56 0.00 0.00 46.19 40.53 2k3u s LEU 80 CO 0.46 -2.08 1.15 0.00 -1.06 0.00 0.00 176.35 174.83 2k3u s ALA 81 N -1.95 2.11 0.36 1.48 0.00 -1.26 -4.70 121.76 117.80 2k3u s ALA 81 Ca 0.74 0.65 0.07 0.00 0.00 0.00 0.00 51.96 53.42 2k3u s ALA 81 Cb -0.29 -3.40 0.77 0.00 0.00 0.00 0.00 23.12 20.20 2k3u s ALA 81 CO 0.43 -1.88 1.94 0.93 0.00 0.00 0.00 175.76 177.19 2k3u h GLU 82 N -0.63 0.71 -0.34 0.00 5.08 -1.98 0.33 114.58 117.76 2k3u h GLU 82 Ca -0.46 -0.04 -0.14 0.00 -1.00 0.00 0.00 59.36 57.72 2k3u h GLU 82 Cb 1.27 -0.16 -0.01 0.00 0.50 0.00 0.00 28.75 30.35 2k3u h GLU 82 CO 0.49 0.47 -0.34 -0.44 -1.00 0.00 0.00 179.01 178.20 2k3u h ASP 83 N 0.73 0.79 0.61 1.42 5.19 -1.96 -2.99 116.42 120.21 2k3u h ASP 83 Ca 0.33 -0.33 -0.16 0.00 -0.62 0.00 0.00 57.03 56.26 2k3u h ASP 83 Cb 0.35 -0.22 -0.02 0.00 0.18 0.00 0.00 39.33 39.63 2k3u h ASP 83 CO -0.12 1.06 -0.71 0.03 -3.12 0.00 0.00 179.24 176.37 2k3u h ARG 84 N 0.63 0.09 -0.01 3.56 3.08 -1.64 -1.96 114.38 118.14 2k3u h ARG 84 Ca 0.07 -0.08 0.00 0.00 0.07 0.00 0.00 59.98 60.04 2k3u h ARG 84 Cb 0.87 0.02 -0.00 0.00 0.08 0.00 0.00 29.97 30.94 2k3u h ARG 84 CO 0.08 0.76 0.02 0.87 -1.07 0.00 0.00 179.97 180.63 2k3u h LYS 85 N 0.06 0.00 0.00 0.04 1.57 -0.87 -3.15 116.57 114.22 2k3u h LYS 85 Ca -0.01 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.77 2k3u h LYS 85 Cb 1.26 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.57 2k3u h LYS 85 CO 0.10 0.00 -0.08 0.09 -0.57 0.00 0.00 179.45 178.99 2k3u n ASN 86 N -3.39 1.80 -4.76 0.86 3.02 -0.97 -2.75 115.26 109.08 2k3u n ASN 86 Ca -0.03 -2.62 -0.40 0.00 -0.03 0.00 0.00 54.58 51.50 2k3u n ASN 86 Cb 0.09 -0.30 -0.05 0.00 -0.61 0.00 0.00 39.78 38.91 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 -1.95 4.56 0.32 2.41 0.11 -0.77 -4.98 120.40 120.10 2k3u s VAL 87 Ca 0.20 1.70 -0.13 0.00 -2.93 0.00 0.00 61.98 60.81 2k3u s VAL 87 Cb 0.17 -4.14 -0.08 0.00 -1.53 0.00 0.00 36.38 30.80 2k3u s VAL 87 CO 0.02 0.43 0.71 -1.61 -3.33 0.00 0.00 175.10 171.32 2k3u s GLU 88 N -0.50 3.94 -0.24 1.54 2.02 -1.26 -1.84 118.70 122.36 2k3u s GLU 88 Ca 0.38 0.58 -0.16 0.00 0.02 0.00 0.00 54.97 55.79 2k3u s GLU 88 Cb -0.22 -2.46 -0.04 0.00 0.10 0.00 0.00 34.13 31.52 2k3u s GLU 88 CO 0.25 0.15 0.40 -0.51 0.02 0.00 0.00 175.26 175.57 2k3u s LEU 89 N -3.10 4.09 0.60 1.80 1.43 0.17 -4.88 118.68 118.81 2k3u s LEU 89 Ca 0.53 0.42 0.33 0.00 -1.03 0.00 0.00 54.13 54.38 2k3u s LEU 89 Cb -0.10 -2.49 1.93 0.00 0.03 0.00 0.00 46.19 45.56 2k3u s LEU 89 CO 0.20 -0.14 2.26 -0.07 0.23 0.00 0.00 176.35 178.83 2k3u h LEU 90 N 8.16 0.00 0.00 1.79 3.38 -1.90 -3.47 115.31 123.27 2k3u h LEU 90 Ca -0.33 0.00 0.06 0.00 0.09 0.00 0.00 57.88 57.69 2k3u h LEU 90 Cb 1.16 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.90 2k3u h LEU 90 CO 0.69 0.01 0.19 0.61 0.09 0.00 0.00 178.44 180.03 2k3u n GLY 91 N -1.16 0.97 3.76 0.83 0.00 -1.20 -4.54 105.19 103.85 2k3u n GLY 91 Ca -0.03 -0.96 -0.33 0.00 0.00 0.00 0.00 46.02 44.70 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 -2.01 2.51 -1.07 1.61 2.47 -1.26 -4.46 119.74 117.52 2k3u s LYS 92 Ca 0.07 1.45 -0.16 0.00 -1.56 0.00 0.00 55.97 55.77 2k3u s LYS 92 Cb -0.01 -1.91 -0.08 0.00 -1.46 0.00 0.00 37.83 34.38 2k3u s LYS 92 CO 0.01 -1.49 2.13 -0.12 0.16 0.00 0.00 175.35 176.04 2k3u n MET 93 N -2.69 2.17 -0.31 4.03 0.00 -0.77 -1.79 117.12 117.75 2k3u n MET 93 Ca 0.11 -2.06 0.01 0.00 0.00 0.00 0.00 57.70 55.75 2k3u n MET 93 Cb 0.52 -2.97 0.14 0.00 0.00 0.00 0.00 33.22 30.91 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 6.86 1.00 -2.94 1.12 3.20 -1.40 -3.06 116.97 121.75 2k3u h TYR 94 Ca 0.51 0.03 -0.04 0.00 3.14 0.00 0.00 58.73 62.37 2k3u h TYR 94 Cb 0.56 -0.32 -0.14 0.00 1.54 0.00 0.00 36.73 38.37 2k3u h TYR 94 CO 1.46 0.51 0.11 0.21 -1.64 0.00 0.00 178.16 178.81 2k3u s LYS 95 N -6.06 1.16 0.01 1.82 2.20 -0.82 -1.07 119.74 116.97 2k3u s LYS 95 Ca -0.13 -0.40 -0.02 0.00 -0.36 0.00 0.00 55.97 55.06 2k3u s LYS 95 Cb 0.18 0.53 -0.01 0.00 -1.51 0.00 0.00 37.83 37.03 2k3u s LYS 95 CO 0.79 -0.47 0.02 0.99 -0.36 0.00 0.00 175.35 176.32 2k3u s THR 96 N -3.25 0.07 0.06 3.43 2.01 0.01 -0.78 115.64 117.18 2k3u s THR 96 Ca -0.01 -0.58 0.08 0.00 0.31 0.00 0.00 61.69 61.49 2k3u s THR 96 Cb -0.00 -0.22 -0.03 0.00 0.01 0.00 0.00 72.50 72.26 2k3u s THR 96 CO -0.08 -0.32 -0.21 -0.31 -0.69 0.00 0.00 174.62 173.01 2k3u s TYR 97 N -0.96 1.83 0.06 4.92 1.51 -0.13 -1.83 117.35 122.75 2k3u s TYR 97 Ca -0.11 -0.38 0.03 0.00 -1.01 0.00 0.00 57.07 55.60 2k3u s TYR 97 Cb -0.06 -1.07 -0.03 0.00 -0.11 0.00 0.00 41.96 40.69 2k3u s TYR 97 CO -0.00 0.12 -0.10 -0.06 -1.11 0.00 0.00 175.55 174.39 2k3u s PHE 98 N -0.88 0.93 -0.04 2.71 0.40 -0.36 -0.46 117.98 120.28 2k3u s PHE 98 Ca 0.07 -0.53 0.00 0.00 -0.60 0.00 0.00 56.93 55.88 2k3u s PHE 98 Cb -0.09 -0.53 0.03 0.00 0.51 0.00 0.00 43.02 42.93 2k3u s PHE 98 CO 0.02 -0.02 -0.01 -0.06 0.70 0.00 0.00 175.22 175.85 2k3u s PHE 99 N -1.62 0.46 0.83 0.36 0.40 -0.61 -3.25 117.98 114.55 2k3u s PHE 99 Ca -0.04 -0.07 -0.12 0.00 -0.60 0.00 0.00 56.93 56.11 2k3u s PHE 99 Cb -0.08 -0.51 0.09 0.00 0.51 0.00 0.00 43.02 43.03 2k3u s PHE 99 CO 0.01 -0.16 1.10 0.15 0.70 0.00 0.00 175.22 177.02 2k3u s LYS 100 N 1.05 1.79 -0.01 0.44 3.01 -1.26 -1.02 119.74 123.74 2k3u s LYS 100 Ca -0.09 0.68 -0.00 0.00 -1.01 0.00 0.00 55.97 55.54 2k3u s LYS 100 Cb -0.14 -1.88 -0.00 0.00 -1.01 0.00 0.00 37.83 34.80 2k3u s LYS 100 CO -0.01 -1.84 0.76 0.36 0.51 0.00 0.00 175.35 175.13 2k3u n LYS 101 N -3.59 0.04 0.00 1.68 2.85 0.08 -1.85 118.16 117.37 2k3u n LYS 101 Ca 0.07 -0.24 0.00 0.00 -1.05 0.00 0.00 58.31 57.09 2k3u n LYS 101 Cb 0.56 -1.73 0.00 0.00 -0.65 0.00 0.00 35.03 33.21 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 3.44 0.00 3.06 2.58 0.00 -1.26 -5.08 105.19 107.93 2k3u n GLY 102 Ca 0.01 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 45.94 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 0.00 0.49 0.00 1.61 2.02 -0.77 -5.08 118.70 116.97 2k3u s GLU 103 Ca 0.00 -0.81 0.00 0.00 0.02 0.00 0.00 54.97 54.18 2k3u s GLU 103 Cb 0.00 0.18 0.00 0.00 0.10 0.00 0.00 34.13 34.41 2k3u s GLU 103 CO 0.00 -0.10 0.57 0.43 0.02 0.00 0.00 175.26 176.18 2k3u n SER 104 N 0.92 0.00 -4.10 -0.19 7.64 -1.26 -4.52 113.62 112.12 2k3u n SER 104 Ca -0.20 -1.25 -0.27 0.00 1.01 0.00 0.00 58.87 58.17 2k3u n SER 104 Cb 0.58 -0.05 -0.17 0.00 -1.01 0.00 0.00 64.21 63.56 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 0.00 2.06 0.76 1.43 2.20 -1.26 -5.13 119.74 119.80 2k3u s LYS 105 Ca 0.00 -0.57 -0.14 0.00 -0.36 0.00 0.00 55.97 54.90 2k3u s LYS 105 Cb 0.00 -1.66 0.05 0.00 -1.51 0.00 0.00 37.83 34.71 2k3u s LYS 105 CO 0.00 0.11 1.18 0.45 -0.36 0.00 0.00 175.35 176.74 2k3u s SER 106 N 0.44 4.07 0.00 1.43 0.15 -1.26 -4.89 113.70 113.65 2k3u s SER 106 Ca -0.13 2.27 0.00 0.00 0.70 0.00 0.00 55.95 58.79 2k3u s SER 106 Cb -0.15 -2.58 0.00 0.00 -1.71 0.00 0.00 66.02 61.58 2k3u s SER 106 CO 0.05 -2.34 0.27 -1.20 1.20 0.00 0.00 173.24 171.22 2k3u n SER 107 N -2.99 0.49 -3.77 5.45 7.64 -1.20 -5.01 113.62 114.22 2k3u n SER 107 Ca 0.13 -1.04 -0.13 0.00 1.01 0.00 0.00 58.87 58.83 2k3u n SER 107 Cb 0.51 0.00 -0.14 0.00 -1.01 0.00 0.00 64.21 63.57 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 -0.04 -0.17 0.12 1.43 5.04 -1.26 -5.07 117.35 117.40 2k3u s TYR 108 Ca 0.00 0.47 -0.08 0.00 -2.44 0.00 0.00 57.07 55.01 2k3u s TYR 108 Cb 0.00 -0.04 -0.01 0.00 0.35 0.00 0.00 41.96 42.26 2k3u s TYR 108 CO 0.00 -0.14 0.22 0.14 -1.34 0.00 0.00 175.55 174.42 2k3u s VAL 109 N 0.87 0.11 -0.07 3.14 -7.23 -1.26 -1.22 120.40 114.74 2k3u s VAL 109 Ca -0.07 -1.29 -0.03 0.00 -1.81 0.00 0.00 61.98 58.78 2k3u s VAL 109 Cb -0.09 -1.55 0.04 0.00 0.56 0.00 0.00 36.38 35.34 2k3u s VAL 109 CO -0.04 -0.52 0.16 -0.63 -0.31 0.00 0.00 175.10 173.75 2k3u s ILE 110 N -3.91 -0.05 0.15 -0.62 1.01 -0.76 -5.01 121.20 112.02 2k3u s ILE 110 Ca 0.10 0.17 0.07 0.00 0.00 0.00 0.00 60.65 60.99 2k3u s ILE 110 Cb 0.04 -0.26 -0.04 0.00 0.01 0.00 0.00 42.46 42.22 2k3u s ILE 110 CO -0.07 0.07 -0.03 0.20 0.00 0.00 0.00 174.94 175.11 2k3u s ASN 111 N 1.14 4.67 0.00 3.58 0.01 -1.26 -0.81 114.94 122.26 2k3u s ASN 111 Ca -0.09 -0.40 0.00 0.00 -0.71 0.00 0.00 52.86 51.67 2k3u s ASN 111 Cb -0.11 -0.97 0.00 0.00 0.41 0.00 0.00 41.25 40.58 2k3u s ASN 111 CO -0.06 0.11 0.00 0.61 -1.51 0.00 0.00 177.10 176.25 2k3u n GLY 112 N 0.11 2.56 3.74 0.66 0.00 -0.23 -4.93 105.19 107.09 2k3u n GLY 112 Ca -0.11 -1.04 -0.41 0.00 0.00 0.00 0.00 46.02 44.46 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 -1.25 4.52 0.00 1.61 0.04 -1.19 -4.35 135.00 134.38 2k3u s PRO 113 Ca 0.00 1.88 0.00 0.00 0.04 0.00 0.00 61.00 62.92 2k3u s PRO 113 Cb 0.00 -3.22 0.00 0.00 0.04 0.00 0.00 34.50 31.32 2k3u s PRO 113 CO 0.00 -0.03 0.00 0.41 0.04 0.00 0.00 177.00 177.42 2k3u n GLY 114 N 1.91 0.00 4.80 0.56 0.00 -1.26 -1.85 105.19 109.35 2k3u n GLY 114 Ca 0.03 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.05 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 -3.53 1.61 4.81 -1.26 -4.75 118.16 115.04 2k3u n LYS 115 Ca 0.00 0.00 -0.09 0.00 -0.87 0.00 0.00 58.31 57.35 2k3u n LYS 115 Cb 0.00 -1.65 -0.03 0.00 0.02 0.00 0.00 35.03 33.37 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 -0.01 0.00 0.19 3.15 -1.32 -1.26 -5.03 115.64 111.36 2k3u s THR 116 Ca 0.00 0.00 0.08 0.00 -1.21 0.00 0.00 61.69 60.56 2k3u s THR 116 Cb 0.00 -1.00 -0.13 0.00 -1.51 0.00 0.00 72.50 69.86 2k3u s THR 116 CO 0.00 0.00 1.42 0.78 -2.21 0.00 0.00 174.62 174.61 2k3u h ASN 117 N 2.19 0.02 -0.73 8.08 -0.26 -1.86 -3.34 115.58 119.68 2k3u h ASN 117 Ca -0.20 -0.02 -0.40 0.00 -0.56 0.00 0.00 56.30 55.13 2k3u h ASN 117 Cb 1.21 -0.01 -0.15 0.00 -1.06 0.00 0.00 38.32 38.31 2k3u h ASN 117 CO 0.30 0.85 0.31 -0.62 -1.06 0.00 0.00 177.43 177.21 2k3u n GLU 118 N -3.56 2.12 -1.69 0.81 -0.58 -1.26 -0.73 120.64 115.75 2k3u n GLU 118 Ca -0.01 -1.89 0.00 0.00 -0.42 0.00 0.00 57.16 54.85 2k3u n GLU 118 Cb 0.80 -1.92 0.00 0.00 -0.57 0.00 0.00 31.44 29.75 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 0.87 -2.02 -2.42 -0.32 0.18 -1.26 -4.84 117.16 107.35 2k3u n TYR 119 Ca 0.41 1.09 -0.37 0.00 1.88 0.00 0.00 57.90 60.90 2k3u n TYR 119 Cb 0.60 -1.81 -0.03 0.00 -0.38 0.00 0.00 39.34 37.71 2k3u n TYR 119 CO 0.00 0.00 0.00 0.00 -2.08 0.00 0.00 176.86 174.78 2k3u s ALA 120 N -1.19 2.53 0.00 -3.48 0.00 -1.26 -4.97 121.76 113.38 2k3u s ALA 120 Ca 0.00 -2.21 0.00 0.00 0.00 0.00 0.00 51.96 49.75 2k3u s ALA 120 Cb 0.00 -4.57 0.00 0.00 0.00 0.00 0.00 23.12 18.55 2k3u s ALA 120 CO 0.00 -3.94 0.00 0.98 0.00 0.00 0.00 175.76 172.80