#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2k43 s LYS 2 N 0.00 1.37 0.26 2.98 1.02 -0.49 -4.99 119.74 119.90 2k43 s LYS 2 Ca 0.00 -0.61 0.23 0.00 0.02 0.00 0.00 55.97 55.61 2k43 s LYS 2 Cb 0.00 -1.33 0.20 0.00 -0.52 0.00 0.00 37.83 36.18 2k43 s LYS 2 CO 0.00 0.36 1.29 1.57 -0.92 0.00 0.00 175.35 177.66 2k43 h LYS 3 N 5.70 0.00 -6.00 1.68 2.10 -1.97 -1.53 116.57 116.56 2k43 h LYS 3 Ca -0.37 0.00 -0.76 0.00 -2.00 0.00 0.00 60.65 57.52 2k43 h LYS 3 Cb 1.15 0.00 -0.04 0.00 -0.90 0.00 0.00 32.23 32.45 2k43 h LYS 3 CO 0.48 0.00 1.31 -2.30 -2.00 0.00 0.00 179.45 176.94 2k43 n PRO 4 N -2.69 0.11 -3.95 0.07 -0.02 -1.26 -4.13 135.00 123.13 2k43 n PRO 4 Ca 0.02 0.03 -0.28 0.00 -2.02 0.00 0.00 63.50 61.25 2k43 n PRO 4 Cb 0.52 -1.60 -0.04 0.00 -0.02 0.00 0.00 33.50 32.36 2k43 n PRO 4 CO 0.00 0.00 0.00 0.21 1.98 0.00 0.00 175.50 177.69 2k43 s LYS 5 N 5.91 3.37 -0.12 -0.52 2.20 0.28 -3.64 119.74 127.21 2k43 s LYS 5 Ca 1.18 -0.58 -0.11 0.00 -0.36 0.00 0.00 55.97 56.11 2k43 s LYS 5 Cb -1.43 -2.95 -0.05 0.00 -1.51 0.00 0.00 37.83 31.89 2k43 s LYS 5 CO 0.65 0.55 0.24 -1.17 -0.36 0.00 0.00 175.35 175.26 2k43 s LEU 6 N -2.95 4.34 -0.33 5.43 1.98 0.12 -1.12 118.68 126.14 2k43 s LEU 6 Ca 0.34 0.56 -0.15 0.00 -2.89 0.00 0.00 54.13 51.98 2k43 s LEU 6 Cb -0.12 -2.27 -0.02 0.00 0.66 0.00 0.00 46.19 44.44 2k43 s LEU 6 CO 0.28 0.27 0.38 -0.22 -1.89 0.00 0.00 176.35 175.17 2k43 s LEU 7 N -0.42 4.34 -0.36 -0.68 0.20 -1.26 -1.85 118.68 118.64 2k43 s LEU 7 Ca 0.16 -0.10 0.01 0.00 0.69 0.00 0.00 54.13 54.90 2k43 s LEU 7 Cb -0.13 -2.39 0.11 0.00 -0.43 0.00 0.00 46.19 43.35 2k43 s LEU 7 CO 0.05 -0.33 0.13 -0.47 -0.29 0.00 0.00 176.35 175.45 2k43 s TYR 8 N 2.08 2.37 -0.13 5.38 5.04 -0.74 -3.76 117.35 127.59 2k43 s TYR 8 Ca 0.13 -2.31 0.01 0.00 -2.44 0.00 0.00 57.07 52.47 2k43 s TYR 8 Cb -0.16 -2.13 -0.00 0.00 0.35 0.00 0.00 41.96 40.02 2k43 s TYR 8 CO 0.12 -0.86 -0.18 0.00 -1.34 0.00 0.00 175.55 173.28 2k43 s SER 10 N 0.57 5.00 0.28 0.00 0.01 -1.18 -4.04 113.70 114.35 2k43 s SER 10 Ca -0.11 -1.08 0.06 0.00 1.31 0.00 0.00 55.95 56.13 2k43 s SER 10 Cb -0.16 -1.79 -0.02 0.00 0.21 0.00 0.00 66.02 64.25 2k43 s SER 10 CO 0.04 -0.26 0.36 0.21 0.41 0.00 0.00 173.24 174.00 2k43 s ASN 11 N 1.36 5.97 -0.51 2.44 3.84 -1.26 -4.83 114.94 121.95 2k43 s ASN 11 Ca -0.02 -0.12 -0.26 0.00 0.21 0.00 0.00 52.86 52.67 2k43 s ASN 11 Cb -0.19 -1.49 -0.24 0.00 -0.55 0.00 0.00 41.25 38.78 2k43 s ASN 11 CO 0.00 -0.21 1.80 0.61 -2.79 0.00 0.00 177.10 176.52 2k43 n GLY 12 N -1.44 1.57 0.18 1.21 0.00 -1.26 -4.36 105.19 101.09 2k43 n GLY 12 Ca -0.05 -1.06 0.00 0.00 0.00 0.00 0.00 46.02 44.91 2k43 n GLY 12 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2k43 n GLY 13 N 4.84 0.16 3.33 -0.02 0.00 -1.26 -5.13 105.19 107.11 2k43 n GLY 13 Ca 0.48 -0.62 -0.17 0.00 0.00 0.00 0.00 46.02 45.71 2k43 n GLY 13 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 2k43 s HIS 14 N -0.08 1.56 -0.01 1.61 3.76 -1.26 -4.64 115.29 116.23 2k43 s HIS 14 Ca 0.00 -1.07 0.02 0.00 -0.15 0.00 0.00 55.06 53.86 2k43 s HIS 14 Cb 0.00 -0.93 -0.00 0.00 1.11 0.00 0.00 32.58 32.76 2k43 s HIS 14 CO 0.00 -0.21 -0.07 -0.06 -0.85 0.00 0.00 174.74 173.55 2k43 s PHE 15 N -3.61 0.74 -0.12 1.40 0.08 -0.26 -4.68 117.98 111.53 2k43 s PHE 15 Ca 0.34 -0.16 -0.29 0.00 0.12 0.00 0.00 56.93 56.94 2k43 s PHE 15 Cb 0.07 -0.51 -0.01 0.00 -0.57 0.00 0.00 43.02 42.00 2k43 s PHE 15 CO 0.12 -0.05 1.08 -1.17 -0.10 0.00 0.00 175.22 175.10 2k43 s LEU 16 N 0.03 4.22 0.11 -0.37 0.20 -1.24 0.16 118.68 121.79 2k43 s LEU 16 Ca -0.00 1.58 0.06 0.00 0.69 0.00 0.00 54.13 56.46 2k43 s LEU 16 Cb -0.06 -3.55 -0.04 0.00 -0.43 0.00 0.00 46.19 42.12 2k43 s LEU 16 CO -0.00 -0.55 -0.15 -0.60 -0.29 0.00 0.00 176.35 174.76 2k43 s ARG 17 N 2.41 1.00 -0.19 1.98 3.52 0.28 -4.33 118.95 123.62 2k43 s ARG 17 Ca 0.50 -1.19 -0.18 0.00 -0.13 0.00 0.00 55.73 54.73 2k43 s ARG 17 Cb -0.19 -0.93 -0.03 0.00 -1.56 0.00 0.00 34.95 32.24 2k43 s ARG 17 CO 0.16 0.18 0.51 0.96 -0.81 0.00 0.00 175.30 176.31 2k43 s ILE 18 N -1.94 5.12 -0.21 4.11 -0.00 -1.25 -2.53 121.20 124.50 2k43 s ILE 18 Ca 0.07 0.94 -0.02 0.00 -0.00 0.00 0.00 60.65 61.64 2k43 s ILE 18 Cb -0.06 -3.83 0.00 0.00 -0.00 0.00 0.00 42.46 38.57 2k43 s ILE 18 CO 0.03 0.20 -0.09 -0.76 -0.00 0.00 0.00 174.94 174.32 2k43 s LEU 19 N 1.46 2.71 0.00 0.37 1.02 -0.72 -4.98 118.68 118.55 2k43 s LEU 19 Ca 0.24 -0.53 0.00 0.00 0.02 0.00 0.00 54.13 53.86 2k43 s LEU 19 Cb -0.15 -1.65 0.00 0.00 0.02 0.00 0.00 46.19 44.40 2k43 s LEU 19 CO 0.10 -0.03 0.67 -2.65 0.02 0.00 0.00 176.35 174.46 2k43 n PRO 20 N 4.73 0.70 0.08 1.29 -0.02 -1.26 -1.85 135.00 138.66 2k43 n PRO 20 Ca -0.19 0.00 -0.00 0.00 -2.02 0.00 0.00 63.50 61.29 2k43 n PRO 20 Cb 0.50 -1.03 -0.05 0.00 -0.02 0.00 0.00 33.50 32.90 2k43 n PRO 20 CO 0.00 0.00 0.00 0.22 1.98 0.00 0.00 175.50 177.70 2k43 h ASP 21 N 0.03 0.00 0.00 2.55 3.58 -1.94 -3.47 116.42 117.17 2k43 h ASP 21 Ca 0.00 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.45 2k43 h ASP 21 Cb 0.03 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.08 2k43 h ASP 21 CO 0.00 0.61 0.00 0.61 -2.88 0.00 0.00 179.24 177.58 2k43 n GLY 22 N 1.33 0.54 2.90 -0.78 0.00 -0.77 -5.08 105.19 103.32 2k43 n GLY 22 Ca -0.04 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 45.84 2k43 n GLY 22 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2k43 s THR 23 N -0.59 0.13 -0.36 2.61 2.01 -0.98 -4.45 115.64 114.00 2k43 s THR 23 Ca 0.00 -0.06 -0.01 0.00 0.31 0.00 0.00 61.69 61.92 2k43 s THR 23 Cb 0.00 -0.12 0.09 0.00 0.01 0.00 0.00 72.50 72.48 2k43 s THR 23 CO 0.00 0.04 0.11 0.54 -0.69 0.00 0.00 174.62 174.62 2k43 s VAL 24 N -0.00 2.97 0.13 3.82 0.11 -1.25 -1.75 120.40 124.43 2k43 s VAL 24 Ca 0.00 -1.92 0.02 0.00 -2.93 0.00 0.00 61.98 57.15 2k43 s VAL 24 Cb -0.01 -2.97 -0.04 0.00 -1.53 0.00 0.00 36.38 31.82 2k43 s VAL 24 CO -0.00 -0.50 -0.03 1.51 -3.33 0.00 0.00 175.10 172.75 2k43 s ASP 25 N 1.46 1.14 0.07 3.54 1.47 -1.05 -1.37 116.67 121.93 2k43 s ASP 25 Ca 0.05 -1.08 -0.27 0.00 1.18 0.00 0.00 52.55 52.42 2k43 s ASP 25 Cb -0.21 0.11 -0.05 0.00 -0.34 0.00 0.00 42.92 42.43 2k43 s ASP 25 CO -0.04 -0.52 0.86 -0.83 0.68 0.00 0.00 175.17 175.32 2k43 s GLY 26 N -3.10 2.88 -0.04 2.12 0.00 -0.43 0.98 107.32 109.74 2k43 s GLY 26 Ca 0.17 0.42 -0.07 0.00 0.00 0.00 0.00 44.72 45.24 2k43 s GLY 26 CO -0.01 1.28 0.17 -1.59 0.00 0.00 0.00 173.10 172.95 2k43 s THR 27 N 0.03 0.04 -0.53 0.90 2.01 0.12 -4.46 115.64 113.75 2k43 s THR 27 Ca 0.43 -0.32 -0.23 0.00 0.31 0.00 0.00 61.69 61.88 2k43 s THR 27 Cb -0.22 -0.36 0.04 0.00 0.01 0.00 0.00 72.50 71.98 2k43 s THR 27 CO 0.26 -0.17 0.85 -0.60 -0.69 0.00 0.00 174.62 174.27 2k43 s ARG 28 N -0.61 3.30 -0.19 4.92 3.52 -1.26 -1.11 118.95 127.52 2k43 s ARG 28 Ca -0.07 -0.38 -0.05 0.00 -0.13 0.00 0.00 55.73 55.11 2k43 s ARG 28 Cb -0.04 -4.05 0.09 0.00 -1.56 0.00 0.00 34.95 29.39 2k43 s ARG 28 CO 0.01 -1.38 0.34 0.34 -0.81 0.00 0.00 175.30 173.79 2k43 s ASP 29 N 2.72 0.25 -0.27 -2.12 2.15 -1.26 -4.99 116.67 113.14 2k43 s ASP 29 Ca 0.27 0.53 0.13 0.00 0.43 0.00 0.00 52.55 53.92 2k43 s ASP 29 Cb -0.14 0.97 0.48 0.00 -0.30 0.00 0.00 42.92 43.93 2k43 s ASP 29 CO 0.18 -0.26 1.16 -2.11 -0.17 0.00 0.00 175.17 173.97 2k43 n ARG 30 N 5.36 2.82 -0.00 4.34 -4.01 -1.26 -4.69 116.66 119.23 2k43 n ARG 30 Ca -0.06 -3.88 0.02 0.00 -1.04 0.00 0.00 57.85 52.88 2k43 n ARG 30 Cb 0.50 -1.99 -0.02 0.00 -3.04 0.00 0.00 32.46 27.91 2k43 n ARG 30 CO 0.00 0.00 0.00 0.45 -3.04 0.00 0.00 177.63 175.04 2k43 n SER 31 N -0.66 3.16 -3.18 2.89 2.88 -1.26 -5.06 113.62 112.39 2k43 n SER 31 Ca 0.29 -0.16 -0.13 0.00 -1.33 0.00 0.00 58.87 57.54 2k43 n SER 31 Cb 0.90 1.10 -0.02 0.00 -0.75 0.00 0.00 64.21 65.44 2k43 n SER 31 CO 0.00 0.00 0.00 0.47 -1.23 0.00 0.00 175.04 174.28 2k43 n ASP 32 N -1.46 2.40 -3.84 -3.46 8.00 -1.26 -5.06 116.55 111.87 2k43 n ASP 32 Ca -0.00 -1.93 -0.41 0.00 0.71 0.00 0.00 54.79 53.15 2k43 n ASP 32 Cb 0.07 0.11 0.01 0.00 -0.02 0.00 0.00 41.12 41.29 2k43 n ASP 32 CO 0.00 0.00 0.00 1.67 -0.39 0.00 0.00 177.20 178.48 2k43 n GLN 33 N -0.67 4.73 0.00 -1.24 7.27 -1.26 -4.45 117.38 121.76 2k43 n GLN 33 Ca -0.07 -4.61 0.00 0.00 0.07 0.00 0.00 57.00 52.39 2k43 n GLN 33 Cb 0.28 -2.48 0.00 0.00 2.41 0.00 0.00 30.24 30.44 2k43 n GLN 33 CO 0.00 0.00 0.00 0.72 0.07 0.00 0.00 177.06 177.85 2k43 n HIS 34 N 0.79 0.00 0.38 3.69 8.25 -1.26 -4.69 115.22 122.38 2k43 n HIS 34 Ca 0.33 0.00 0.06 0.00 -0.26 0.00 0.00 57.72 57.85 2k43 n HIS 34 Cb 0.31 0.00 0.20 0.00 1.12 0.00 0.00 29.99 31.63 2k43 n HIS 34 CO 0.00 0.00 0.00 0.44 0.64 0.00 0.00 176.34 177.42 2k43 n ILE 35 N -1.54 0.94 -3.48 1.59 -0.00 -1.26 -3.77 119.36 111.84 2k43 n ILE 35 Ca 0.00 -0.66 -0.42 0.00 -0.00 0.00 0.00 62.75 61.67 2k43 n ILE 35 Cb 0.31 0.05 -0.07 0.00 -0.00 0.00 0.00 39.64 39.92 2k43 n ILE 35 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.55 176.55 2k43 s GLN 36 N -1.64 2.68 -0.13 6.28 -2.07 -1.26 -4.14 119.66 119.38 2k43 s GLN 36 Ca 0.30 -1.82 -0.00 0.00 -1.82 0.00 0.00 55.36 52.02 2k43 s GLN 36 Cb 0.18 -4.05 -0.02 0.00 -1.09 0.00 0.00 33.01 28.04 2k43 s GLN 36 CO 0.16 -1.24 -0.12 -0.48 -1.32 0.00 0.00 175.29 172.29 2k43 s LEU 37 N 1.31 2.77 -0.47 2.60 2.34 -0.28 -2.85 118.68 124.10 2k43 s LEU 37 Ca 0.06 -0.30 -0.22 0.00 0.06 0.00 0.00 54.13 53.73 2k43 s LEU 37 Cb -0.26 -1.62 0.03 0.00 -0.56 0.00 0.00 46.19 43.78 2k43 s LEU 37 CO -0.00 0.18 0.73 -1.58 -1.06 0.00 0.00 176.35 174.61 2k43 s GLN 38 N 0.27 3.30 -0.48 1.48 -0.44 0.19 0.99 119.66 124.98 2k43 s GLN 38 Ca -0.09 -0.36 -0.12 0.00 -2.50 0.00 0.00 55.36 52.30 2k43 s GLN 38 Cb -0.15 -3.98 0.10 0.00 -1.64 0.00 0.00 33.01 27.34 2k43 s GLN 38 CO 0.05 -1.14 0.37 -1.17 0.50 0.00 0.00 175.29 173.90 2k43 s LEU 39 N 3.10 5.69 0.29 3.68 0.20 -1.26 -2.28 118.68 128.09 2k43 s LEU 39 Ca 0.25 -1.69 0.09 0.00 0.69 0.00 0.00 54.13 53.47 2k43 s LEU 39 Cb -0.14 -2.09 -0.04 0.00 -0.43 0.00 0.00 46.19 43.49 2k43 s LEU 39 CO 0.19 -0.69 0.09 -0.44 -0.29 0.00 0.00 176.35 175.21 2k43 s SER 40 N 2.78 4.82 -0.39 3.68 0.01 -1.04 -4.95 113.70 118.60 2k43 s SER 40 Ca 0.04 -0.59 -0.00 0.00 1.31 0.00 0.00 55.95 56.71 2k43 s SER 40 Cb -0.26 -0.93 0.11 0.00 0.21 0.00 0.00 66.02 65.14 2k43 s SER 40 CO 0.02 -0.11 0.16 0.00 0.41 0.00 0.00 173.24 173.72 2k43 s ALA 41 N -2.31 3.08 -0.19 1.44 0.00 -1.26 -0.12 121.76 122.39 2k43 s ALA 41 Ca 0.34 -2.58 0.14 0.00 0.00 0.00 0.00 51.96 49.86 2k43 s ALA 41 Cb -0.06 -2.25 -0.22 0.00 0.00 0.00 0.00 23.12 20.60 2k43 s ALA 41 CO 0.22 -1.78 0.02 -0.85 0.00 0.00 0.00 175.76 173.37 2k43 n GLU 42 N 4.39 0.90 -4.21 0.00 0.28 -1.14 -4.94 120.64 115.93 2k43 n GLU 42 Ca 0.01 0.02 -0.24 0.00 -0.16 0.00 0.00 57.16 56.78 2k43 n GLU 42 Cb 0.41 -1.48 -0.08 0.00 1.43 0.00 0.00 31.44 31.73 2k43 n GLU 42 CO 0.00 0.00 0.00 -1.12 -0.16 0.00 0.00 177.13 175.85 2k43 s SER 43 N -5.46 4.39 -0.05 -1.84 0.01 -1.24 -5.05 113.70 104.46 2k43 s SER 43 Ca -0.13 -0.97 -0.30 0.00 1.31 0.00 0.00 55.95 55.86 2k43 s SER 43 Cb 0.06 -0.56 -0.08 0.00 0.21 0.00 0.00 66.02 65.65 2k43 s SER 43 CO 0.73 -0.37 2.05 1.33 0.41 0.00 0.00 173.24 177.39 2k43 n VAL 44 N -1.10 0.63 0.00 3.43 0.24 -1.26 -2.18 118.33 118.08 2k43 n VAL 44 Ca -0.03 -0.23 0.00 0.00 -2.04 0.00 0.00 64.34 62.04 2k43 n VAL 44 Cb 0.63 -2.36 0.00 0.00 -1.47 0.00 0.00 33.84 30.64 2k43 n VAL 44 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 2k43 n GLY 45 N 4.93 2.95 3.85 7.63 0.00 -1.26 -5.00 105.19 118.30 2k43 n GLY 45 Ca 0.23 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.89 2k43 n GLY 45 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 2k43 s GLU 46 N -0.20 3.50 -0.01 1.61 -1.05 -0.93 -1.37 118.70 120.26 2k43 s GLU 46 Ca 0.00 -0.15 0.06 0.00 -0.15 0.00 0.00 54.97 54.73 2k43 s GLU 46 Cb 0.00 -3.19 -0.03 0.00 -0.44 0.00 0.00 34.13 30.47 2k43 s GLU 46 CO 0.00 0.72 -0.20 0.14 0.95 0.00 0.00 175.26 176.87 2k43 s VAL 47 N -0.87 2.59 -0.17 1.83 -7.23 -0.55 -2.88 120.40 113.12 2k43 s VAL 47 Ca 0.14 -1.03 0.00 0.00 -1.81 0.00 0.00 61.98 59.28 2k43 s VAL 47 Cb -0.12 -2.00 0.01 0.00 0.56 0.00 0.00 36.38 34.83 2k43 s VAL 47 CO 0.03 0.50 -0.16 -0.47 -0.31 0.00 0.00 175.10 174.69 2k43 s TYR 48 N -0.75 2.79 -0.54 2.82 5.04 0.82 -2.55 117.35 124.98 2k43 s TYR 48 Ca 0.12 -1.28 -0.18 0.00 -2.44 0.00 0.00 57.07 53.29 2k43 s TYR 48 Cb -0.10 -1.92 0.09 0.00 0.35 0.00 0.00 41.96 40.38 2k43 s TYR 48 CO 0.01 -0.62 0.58 0.42 -1.34 0.00 0.00 175.55 174.60 2k43 s ILE 49 N 1.07 5.00 0.18 3.14 1.01 -1.26 -2.49 121.20 127.84 2k43 s ILE 49 Ca -0.01 -0.99 0.10 0.00 0.00 0.00 0.00 60.65 59.75 2k43 s ILE 49 Cb -0.14 -4.34 -0.04 0.00 0.01 0.00 0.00 42.46 37.94 2k43 s ILE 49 CO -0.05 -0.89 -0.19 -1.59 0.00 0.00 0.00 174.94 172.22 2k43 s LYS 50 N 2.24 1.69 0.20 2.79 -2.85 -0.97 -4.79 119.74 118.05 2k43 s LYS 50 Ca 0.09 -1.40 -0.30 0.00 -1.00 0.00 0.00 55.97 53.36 2k43 s LYS 50 Cb -0.24 -1.97 -0.08 0.00 -2.06 0.00 0.00 37.83 33.48 2k43 s LYS 50 CO 0.07 0.42 0.95 0.45 0.10 0.00 0.00 175.35 177.35 2k43 s SER 51 N -2.60 7.59 0.00 0.03 0.15 -1.13 0.58 113.70 118.32 2k43 s SER 51 Ca 0.21 1.91 0.00 0.00 0.70 0.00 0.00 55.95 58.77 2k43 s SER 51 Cb -0.09 -2.60 0.00 0.00 -1.71 0.00 0.00 66.02 61.62 2k43 s SER 51 CO 0.11 0.08 0.00 0.41 1.20 0.00 0.00 173.24 175.04 2k43 n THR 52 N 1.89 0.00 -0.10 6.45 -1.04 -1.22 -4.73 114.28 115.53 2k43 n THR 52 Ca -0.01 0.01 -0.24 0.00 -2.04 0.00 0.00 64.05 61.77 2k43 n THR 52 Cb 0.48 -0.16 -0.11 0.00 -1.82 0.00 0.00 70.33 68.71 2k43 n THR 52 CO 0.00 0.00 0.00 -0.62 -0.64 0.00 0.00 175.07 173.81 2k43 n GLU 53 N 0.00 0.60 -0.38 -2.82 1.02 -1.26 -4.68 120.64 113.12 2k43 n GLU 53 Ca 0.00 0.42 0.08 0.00 -0.02 0.00 0.00 57.16 57.64 2k43 n GLU 53 Cb 0.00 -1.65 0.22 0.00 -0.02 0.00 0.00 31.44 29.99 2k43 n GLU 53 CO 0.00 0.00 0.00 0.25 1.18 0.00 0.00 177.13 178.56 2k43 n THR 54 N -4.20 2.21 0.07 2.62 -2.24 -1.26 -4.85 114.28 106.63 2k43 n THR 54 Ca -0.40 -2.08 0.09 0.00 -2.27 0.00 0.00 64.05 59.38 2k43 n THR 54 Cb 0.81 -0.26 -0.04 0.00 -2.10 0.00 0.00 70.33 68.73 2k43 n THR 54 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2k43 n GLY 55 N -0.82 -1.34 0.00 3.38 0.00 -1.13 -4.41 105.19 100.86 2k43 n GLY 55 Ca 0.21 -0.24 0.00 0.00 0.00 0.00 0.00 46.02 45.99 2k43 n GLY 55 CO 0.00 0.00 0.00 -0.18 0.00 0.00 0.00 173.32 173.14 2k43 n GLN 56 N -2.68 0.00 -2.75 1.61 -0.06 -1.26 -3.96 117.38 108.28 2k43 n GLN 56 Ca -0.03 0.00 -0.37 0.00 -2.00 0.00 0.00 57.00 54.60 2k43 n GLN 56 Cb 0.63 0.00 0.00 0.00 -4.06 0.00 0.00 30.24 26.81 2k43 n GLN 56 CO 0.00 0.00 0.00 0.66 -0.20 0.00 0.00 177.06 177.52 2k43 n TYR 57 N -0.25 3.11 -2.78 3.69 4.02 -1.26 -2.82 117.16 120.86 2k43 n TYR 57 Ca 0.00 -2.97 -0.37 0.00 -0.01 0.00 0.00 57.90 54.54 2k43 n TYR 57 Cb 0.00 -1.00 -0.06 0.00 -0.02 0.00 0.00 39.34 38.26 2k43 n TYR 57 CO 0.00 0.00 0.00 -1.17 -1.01 0.00 0.00 176.86 174.68 2k43 s LEU 58 N -4.01 4.36 -0.03 7.72 0.20 -1.25 -1.41 118.68 124.26 2k43 s LEU 58 Ca 0.41 1.85 -0.01 0.00 0.69 0.00 0.00 54.13 57.07 2k43 s LEU 58 Cb 0.21 -3.99 0.03 0.00 -0.43 0.00 0.00 46.19 42.01 2k43 s LEU 58 CO -0.12 -0.05 0.06 0.00 -0.29 0.00 0.00 176.35 175.95 2k43 s ALA 59 N -1.58 -0.03 0.03 5.97 0.00 -0.75 -3.76 121.76 121.64 2k43 s ALA 59 Ca 0.50 0.41 -0.26 0.00 0.00 0.00 0.00 51.96 52.61 2k43 s ALA 59 Cb -0.19 -0.30 -0.05 0.00 0.00 0.00 0.00 23.12 22.58 2k43 s ALA 59 CO 0.24 -0.12 0.79 -1.64 0.00 0.00 0.00 175.76 175.04 2k43 s MET 60 N 1.06 4.51 -0.22 0.00 -1.94 -1.23 -1.80 119.30 119.67 2k43 s MET 60 Ca -0.09 1.10 0.02 0.00 -1.71 0.00 0.00 55.69 55.01 2k43 s MET 60 Cb -0.12 -3.39 0.04 0.00 2.01 0.00 0.00 34.83 33.37 2k43 s MET 60 CO -0.04 0.21 -0.15 0.34 -0.01 0.00 0.00 175.02 175.37 2k43 s ASP 61 N 0.20 3.87 0.00 3.03 2.15 -1.01 -4.46 116.67 120.45 2k43 s ASP 61 Ca 0.40 -1.05 0.00 0.00 0.43 0.00 0.00 52.55 52.33 2k43 s ASP 61 Cb -0.20 -1.52 0.00 0.00 -0.30 0.00 0.00 42.92 40.89 2k43 s ASP 61 CO 0.23 -0.11 0.00 0.41 -0.17 0.00 0.00 175.17 175.54 2k43 n THR 62 N 4.52 0.00 -0.48 1.71 -1.04 -1.26 -2.36 114.28 115.37 2k43 n THR 62 Ca -0.17 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 61.84 2k43 n THR 62 Cb 0.46 0.00 0.00 0.00 -1.82 0.00 0.00 70.33 68.97 2k43 n THR 62 CO 0.00 0.00 0.00 0.47 -0.64 0.00 0.00 175.07 174.90 2k43 n ASP 63 N 0.01 -1.24 -0.06 8.00 9.92 -1.26 -4.84 116.55 127.07 2k43 n ASP 63 Ca 0.00 0.00 -0.20 0.00 -0.53 0.00 0.00 54.79 54.06 2k43 n ASP 63 Cb 0.00 -0.21 -0.13 0.00 -0.64 0.00 0.00 41.12 40.14 2k43 n ASP 63 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 2k43 n GLY 64 N -2.41 -0.48 2.97 0.44 0.00 -1.00 -3.97 105.19 100.74 2k43 n GLY 64 Ca 0.00 -0.22 -0.26 0.00 0.00 0.00 0.00 46.02 45.55 2k43 n GLY 64 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2k43 s LEU 65 N -6.87 1.45 -0.35 0.99 1.43 -1.19 0.56 118.68 114.71 2k43 s LEU 65 Ca -0.29 -0.30 -0.07 0.00 -1.03 0.00 0.00 54.13 52.44 2k43 s LEU 65 Cb 0.08 -0.84 0.04 0.00 0.03 0.00 0.00 46.19 45.50 2k43 s LEU 65 CO 0.68 -0.03 0.12 -0.76 0.23 0.00 0.00 176.35 176.59 2k43 s LEU 66 N 1.13 4.40 0.07 1.79 1.02 -0.52 -2.39 118.68 124.19 2k43 s LEU 66 Ca -0.06 -1.18 0.04 0.00 0.02 0.00 0.00 54.13 52.95 2k43 s LEU 66 Cb -0.14 -1.88 -0.03 0.00 0.02 0.00 0.00 46.19 44.16 2k43 s LEU 66 CO -0.02 -0.35 -0.11 -0.72 0.02 0.00 0.00 176.35 175.17 2k43 s TYR 67 N 1.40 1.05 -0.22 0.29 1.13 -0.74 -4.31 117.35 115.95 2k43 s TYR 67 Ca -0.01 -0.53 -0.13 0.00 -1.41 0.00 0.00 57.07 54.98 2k43 s TYR 67 Cb -0.20 -0.59 0.07 0.00 -1.10 0.00 0.00 41.96 40.14 2k43 s TYR 67 CO 0.03 0.01 0.55 0.20 -2.51 0.00 0.00 175.55 173.82 2k43 s GLY 68 N -1.95 -0.47 0.00 5.49 0.00 -1.26 -1.81 107.32 107.32 2k43 s GLY 68 Ca -0.01 1.94 0.00 0.00 0.00 0.00 0.00 44.72 46.65 2k43 s GLY 68 CO 0.01 1.98 0.00 1.44 0.00 0.00 0.00 173.10 176.53 2k43 n SER 69 N 4.16 0.00 -0.05 1.64 7.64 -0.50 -3.83 113.62 122.68 2k43 n SER 69 Ca -0.21 0.00 -0.20 0.00 1.01 0.00 0.00 58.87 59.47 2k43 n SER 69 Cb 0.57 0.17 -0.13 0.00 -1.01 0.00 0.00 64.21 63.81 2k43 n SER 69 CO 0.00 0.00 0.00 1.56 -3.01 0.00 0.00 175.04 173.59 2k43 h GLN 70 N 0.00 0.09 -4.80 1.43 4.20 -1.91 -3.42 115.11 110.70 2k43 h GLN 70 Ca 0.00 -0.16 -0.29 0.00 0.06 0.00 0.00 58.65 58.26 2k43 h GLN 70 Cb 0.00 0.06 -0.18 0.00 0.30 0.00 0.00 27.48 27.66 2k43 h GLN 70 CO 0.00 1.08 -0.73 0.99 -0.67 0.00 0.00 178.83 179.50 2k43 s THR 71 N -2.38 0.79 -0.40 -0.54 2.01 -1.26 -4.96 115.64 108.90 2k43 s THR 71 Ca -0.23 -1.56 -0.04 0.00 0.31 0.00 0.00 61.69 60.17 2k43 s THR 71 Cb 0.03 -1.25 0.10 0.00 0.01 0.00 0.00 72.50 71.40 2k43 s THR 71 CO 0.68 -0.58 0.19 -2.16 -0.69 0.00 0.00 174.62 172.06 2k43 s PRO 72 N -2.71 2.14 0.71 4.92 0.04 -1.26 -3.83 135.00 135.02 2k43 s PRO 72 Ca 0.03 -1.70 0.01 0.00 0.04 0.00 0.00 61.00 59.38 2k43 s PRO 72 Cb -0.03 -3.56 0.13 0.00 0.04 0.00 0.00 34.50 31.08 2k43 s PRO 72 CO -0.01 -1.00 0.98 1.21 0.04 0.00 0.00 177.00 178.22 2k43 s ASN 73 N 1.81 4.37 -0.65 6.66 2.47 -1.26 -4.96 114.94 123.37 2k43 s ASN 73 Ca 0.06 -0.51 -0.15 0.00 0.42 0.00 0.00 52.86 52.67 2k43 s ASN 73 Cb -0.23 0.17 0.17 0.00 -1.45 0.00 0.00 41.25 39.91 2k43 s ASN 73 CO -0.03 -1.86 0.60 -1.61 -3.72 0.00 0.00 177.10 170.48 2k43 s GLU 74 N -5.10 3.21 0.00 0.43 8.01 -1.26 -2.24 118.70 121.76 2k43 s GLU 74 Ca 0.67 -2.02 0.00 0.00 0.01 0.00 0.00 54.97 53.63 2k43 s GLU 74 Cb -0.05 -4.33 0.00 0.00 -4.31 0.00 0.00 34.13 25.44 2k43 s GLU 74 CO 0.44 -1.31 0.00 0.39 0.01 0.00 0.00 175.26 174.79 2k43 n GLU 75 N 4.71 3.54 0.27 1.61 1.02 -1.26 -4.84 120.64 125.70 2k43 n GLU 75 Ca -0.03 0.00 0.15 0.00 -0.02 0.00 0.00 57.16 57.27 2k43 n GLU 75 Cb 0.43 -0.49 0.76 0.00 -0.02 0.00 0.00 31.44 32.11 2k43 n GLU 75 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 2k43 s LEU 77 N -6.67 4.35 0.15 0.00 0.05 -1.26 -4.36 118.68 110.94 2k43 s LEU 77 Ca -0.01 0.94 0.02 0.00 0.05 0.00 0.00 54.13 55.12 2k43 s LEU 77 Cb 0.11 -3.10 -0.04 0.00 -2.05 0.00 0.00 46.19 41.11 2k43 s LEU 77 CO 0.55 0.15 -0.02 -0.36 -0.55 0.00 0.00 176.35 176.12 2k43 s PHE 78 N -1.41 1.11 -0.04 3.48 0.08 -1.05 -3.77 117.98 116.37 2k43 s PHE 78 Ca 0.35 -0.99 -0.21 0.00 0.12 0.00 0.00 56.93 56.20 2k43 s PHE 78 Cb -0.15 -0.63 -0.05 0.00 -0.57 0.00 0.00 43.02 41.63 2k43 s PHE 78 CO 0.18 -0.20 0.60 -1.17 -0.10 0.00 0.00 175.22 174.54 2k43 s LEU 79 N -3.13 4.37 -0.35 -0.37 0.20 -0.19 -1.48 118.68 117.72 2k43 s LEU 79 Ca 0.20 1.11 -0.14 0.00 0.69 0.00 0.00 54.13 56.00 2k43 s LEU 79 Cb 0.06 -2.93 -0.01 0.00 -0.43 0.00 0.00 46.19 42.88 2k43 s LEU 79 CO 0.01 0.03 0.27 -0.70 -0.29 0.00 0.00 176.35 175.68 2k43 s GLU 80 N 0.18 3.45 -0.26 1.98 2.12 -0.47 -0.05 118.70 125.66 2k43 s GLU 80 Ca 0.32 -0.64 -0.01 0.00 0.36 0.00 0.00 54.97 55.01 2k43 s GLU 80 Cb -0.18 -3.83 0.08 0.00 0.26 0.00 0.00 34.13 30.47 2k43 s GLU 80 CO 0.16 -0.50 0.04 0.50 -0.54 0.00 0.00 175.26 174.93 2k43 s ARG 81 N 1.78 0.96 -0.56 4.30 3.52 -0.31 -4.94 118.95 123.70 2k43 s ARG 81 Ca 0.07 -0.91 -0.19 0.00 -0.13 0.00 0.00 55.73 54.57 2k43 s ARG 81 Cb -0.17 -2.24 0.08 0.00 -1.56 0.00 0.00 34.95 31.06 2k43 s ARG 81 CO 0.11 -0.79 0.67 -0.48 -0.81 0.00 0.00 175.30 174.00 2k43 s LEU 82 N 1.59 5.18 -0.32 -0.88 2.34 -1.26 -1.59 118.68 123.74 2k43 s LEU 82 Ca 0.03 -1.20 0.03 0.00 0.06 0.00 0.00 54.13 53.06 2k43 s LEU 82 Cb -0.18 -2.37 0.09 0.00 -0.56 0.00 0.00 46.19 43.18 2k43 s LEU 82 CO -0.15 -1.02 0.03 -1.61 -1.06 0.00 0.00 176.35 172.54 2k43 s GLU 83 N 2.69 1.49 0.00 1.48 0.41 0.31 -4.66 118.70 120.42 2k43 s GLU 83 Ca 0.13 -1.70 0.00 0.00 -0.41 0.00 0.00 54.97 52.99 2k43 s GLU 83 Cb -0.22 -3.02 0.00 0.00 -1.78 0.00 0.00 34.13 29.11 2k43 s GLU 83 CO 0.09 -0.89 0.00 -1.91 -0.49 0.00 0.00 175.26 172.05 2k43 n GLU 84 N 4.35 0.00 -2.34 1.61 0.00 -1.21 -4.69 120.64 118.36 2k43 n GLU 84 Ca 0.01 0.00 -0.41 0.00 0.00 0.00 0.00 57.16 56.76 2k43 n GLU 84 Cb 0.42 0.00 0.01 0.00 0.00 0.00 0.00 31.44 31.87 2k43 n GLU 84 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.13 175.42 2k43 n ASN 85 N 0.00 7.36 -0.87 4.31 2.85 -1.26 -4.61 115.26 123.04 2k43 n ASN 85 Ca 0.00 -3.35 0.00 0.00 -0.11 0.00 0.00 54.58 51.12 2k43 n ASN 85 Cb 0.00 -1.30 0.00 0.00 1.24 0.00 0.00 39.78 39.72 2k43 n ASN 85 CO 0.00 0.00 0.00 1.41 -2.11 0.00 0.00 177.26 176.56 2k43 n HIS 86 N 1.31 0.00 -4.17 1.20 8.25 -1.26 -5.12 115.22 115.44 2k43 n HIS 86 Ca 0.52 0.00 -0.16 0.00 -0.26 0.00 0.00 57.72 57.82 2k43 n HIS 86 Cb 0.27 -1.46 -0.14 0.00 1.12 0.00 0.00 29.99 29.78 2k43 n HIS 86 CO 0.00 0.00 0.00 0.71 0.64 0.00 0.00 176.34 177.69 2k43 s TYR 87 N -2.57 0.54 -0.04 4.41 1.51 -1.26 -5.06 117.35 114.88 2k43 s TYR 87 Ca 0.00 -0.17 -0.15 0.00 -1.01 0.00 0.00 57.07 55.74 2k43 s TYR 87 Cb 0.00 -0.34 -0.05 0.00 -0.11 0.00 0.00 41.96 41.45 2k43 s TYR 87 CO 0.00 -0.02 0.40 -0.80 -1.11 0.00 0.00 175.55 174.02 2k43 s ASN 88 N -0.38 6.73 0.19 2.29 -0.87 -0.45 -0.53 114.94 121.92 2k43 s ASN 88 Ca 0.00 0.87 0.09 0.00 -1.57 0.00 0.00 52.86 52.25 2k43 s ASN 88 Cb -0.04 -2.24 -0.04 0.00 -0.02 0.00 0.00 41.25 38.91 2k43 s ASN 88 CO -0.00 0.24 -0.18 -0.89 -2.57 0.00 0.00 177.10 173.70 2k43 s THR 89 N -0.57 1.96 -0.00 1.60 2.01 -0.62 -1.32 115.64 118.70 2k43 s THR 89 Ca 0.23 -2.07 0.04 0.00 0.31 0.00 0.00 61.69 60.20 2k43 s THR 89 Cb -0.16 -1.99 -0.01 0.00 0.01 0.00 0.00 72.50 70.35 2k43 s THR 89 CO 0.11 -0.37 -0.12 -0.31 -0.69 0.00 0.00 174.62 173.25 2k43 s TYR 90 N -2.28 1.07 -0.03 4.92 2.02 -1.26 -1.17 117.35 120.62 2k43 s TYR 90 Ca 0.20 -0.22 -0.04 0.00 -0.37 0.00 0.00 57.07 56.64 2k43 s TYR 90 Cb -0.05 -0.68 -0.04 0.00 -0.40 0.00 0.00 41.96 40.79 2k43 s TYR 90 CO 0.08 -0.01 0.18 0.42 -1.57 0.00 0.00 175.55 174.65 2k43 s ILE 91 N -0.35 5.44 -0.76 2.71 1.01 0.93 -0.16 121.20 130.02 2k43 s ILE 91 Ca 0.04 -0.06 -0.22 0.00 0.00 0.00 0.00 60.65 60.41 2k43 s ILE 91 Cb -0.05 -3.51 0.08 0.00 0.01 0.00 0.00 42.46 38.99 2k43 s ILE 91 CO -0.00 0.39 1.07 -0.94 0.00 0.00 0.00 174.94 175.45 2k43 s SER 92 N -1.74 6.31 0.00 3.58 1.04 -0.73 -1.02 113.70 121.14 2k43 s SER 92 Ca 0.25 -1.25 0.14 0.00 0.48 0.00 0.00 55.95 55.57 2k43 s SER 92 Cb -0.13 -2.44 0.68 0.00 0.10 0.00 0.00 66.02 64.24 2k43 s SER 92 CO 0.16 -1.39 1.36 1.17 0.98 0.00 0.00 173.24 175.52 2k43 n LYS 93 N 7.65 0.19 0.00 4.02 4.81 -1.25 0.67 118.16 134.25 2k43 n LYS 93 Ca 0.07 0.16 0.00 0.00 -0.87 0.00 0.00 58.31 57.67 2k43 n LYS 93 Cb 0.47 -1.50 0.00 0.00 0.02 0.00 0.00 35.03 34.02 2k43 n LYS 93 CO 0.00 0.00 0.00 1.17 1.17 0.00 0.00 177.40 179.74 2k43 n LYS 94 N -1.29 0.00 -1.39 1.64 3.00 -1.26 -3.36 118.16 115.49 2k43 n LYS 94 Ca 0.06 0.49 -0.29 0.00 -0.00 0.00 0.00 58.31 58.58 2k43 n LYS 94 Cb 0.11 -1.35 0.02 0.00 0.00 0.00 0.00 35.03 33.81 2k43 n LYS 94 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.40 178.12 2k43 n HIS 95 N -1.98 2.23 -0.05 5.64 8.25 -0.99 -4.67 115.22 123.66 2k43 n HIS 95 Ca 0.00 -2.27 0.10 0.00 -0.26 0.00 0.00 57.72 55.29 2k43 n HIS 95 Cb 0.00 -1.25 0.49 0.00 1.12 0.00 0.00 29.99 30.35 2k43 n HIS 95 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 2k43 h ALA 96 N 2.39 1.95 -0.98 -1.41 0.00 0.23 -0.90 119.26 120.54 2k43 h ALA 96 Ca 0.45 -0.01 0.25 0.00 0.00 0.00 0.00 54.91 55.59 2k43 h ALA 96 Cb 0.64 -0.10 -0.07 0.00 0.00 0.00 0.00 17.79 18.26 2k43 h ALA 96 CO 1.13 -0.05 0.65 1.05 0.00 0.00 0.00 179.25 182.03 2k43 h GLU 97 N 0.42 0.30 -0.01 0.00 4.11 -1.83 -0.66 114.58 116.91 2k43 h GLU 97 Ca 0.23 -0.02 0.00 0.00 0.07 0.00 0.00 59.36 59.65 2k43 h GLU 97 Cb 0.39 -0.07 0.00 0.00 0.50 0.00 0.00 28.75 29.57 2k43 h GLU 97 CO -0.06 0.20 -0.32 1.63 0.07 0.00 0.00 179.01 180.52 2k43 n LYS 98 N -4.49 1.18 -1.45 1.06 5.02 -0.35 -4.94 118.16 114.19 2k43 n LYS 98 Ca 0.22 -0.87 -0.03 0.00 -2.02 0.00 0.00 58.31 55.61 2k43 n LYS 98 Cb 0.85 -1.48 -0.01 0.00 -0.02 0.00 0.00 35.03 34.37 2k43 n LYS 98 CO 0.00 0.00 0.00 -1.71 -0.52 0.00 0.00 177.40 175.17 2k43 n ASN 99 N -0.15 -2.84 -4.80 4.39 5.15 -0.25 -5.01 115.26 111.74 2k43 n ASN 99 Ca 0.11 0.05 -0.29 0.00 -0.60 0.00 0.00 54.58 53.85 2k43 n ASN 99 Cb 0.42 -1.23 0.11 0.00 -0.53 0.00 0.00 39.78 38.55 2k43 n ASN 99 CO 0.00 0.00 0.00 0.86 1.40 0.00 0.00 177.26 179.52 2k43 s TRP 100 N -2.15 2.71 0.04 1.20 -0.00 -1.26 -4.92 118.94 114.57 2k43 s TRP 100 Ca 0.00 1.00 0.02 0.00 -0.00 0.00 0.00 56.10 57.12 2k43 s TRP 100 Cb 0.00 -3.26 -0.04 0.00 -0.00 0.00 0.00 33.47 30.18 2k43 s TRP 100 CO 0.00 -2.02 0.05 -0.06 -0.00 0.00 0.00 176.95 174.93 2k43 s PHE 101 N -3.24 3.17 -0.29 5.86 0.40 -1.26 -1.77 117.98 120.85 2k43 s PHE 101 Ca 0.62 0.10 -0.22 0.00 -0.60 0.00 0.00 56.93 56.83 2k43 s PHE 101 Cb -0.14 -1.65 -0.01 0.00 0.51 0.00 0.00 43.02 41.73 2k43 s PHE 101 CO 0.53 0.51 0.73 0.08 0.70 0.00 0.00 175.22 177.77 2k43 s VAL 102 N -1.27 4.86 -0.10 -0.44 1.01 0.77 -4.51 120.40 120.72 2k43 s VAL 102 Ca 0.25 1.11 0.03 0.00 0.00 0.00 0.00 61.98 63.37 2k43 s VAL 102 Cb -0.12 -4.07 0.01 0.00 0.00 0.00 0.00 36.38 32.19 2k43 s VAL 102 CO 0.17 -0.17 -0.19 -0.83 0.00 0.00 0.00 175.10 174.08 2k43 s GLY 103 N 1.58 1.15 -0.11 4.51 0.00 -1.25 -4.40 107.32 108.80 2k43 s GLY 103 Ca 0.30 -0.82 -0.00 0.00 0.00 0.00 0.00 44.72 44.19 2k43 s GLY 103 CO 0.11 -0.02 -0.07 -2.27 0.00 0.00 0.00 173.10 170.86 2k43 s LEU 104 N 0.68 1.12 -0.57 0.66 2.96 -1.15 -0.81 118.68 121.57 2k43 s LEU 104 Ca -0.12 -0.27 -0.18 0.00 -0.22 0.00 0.00 54.13 53.34 2k43 s LEU 104 Cb -0.16 -0.78 0.10 0.00 0.50 0.00 0.00 46.19 45.85 2k43 s LEU 104 CO 0.03 -0.12 0.63 -0.75 -1.32 0.00 0.00 176.35 174.82 2k43 s LYS 105 N 1.70 3.04 0.33 1.98 2.36 -0.63 -4.53 119.74 123.99 2k43 s LYS 105 Ca 0.04 -1.37 0.11 0.00 -2.55 0.00 0.00 55.97 52.21 2k43 s LYS 105 Cb -0.13 -4.25 0.55 0.00 -1.05 0.00 0.00 37.83 32.96 2k43 s LYS 105 CO -0.07 -1.43 1.73 1.57 1.55 0.00 0.00 175.35 178.69 2k43 h LYS 106 N 9.08 0.02 0.00 4.03 2.10 -1.77 1.13 116.57 131.16 2k43 h LYS 106 Ca -0.29 -0.01 0.00 0.00 -2.00 0.00 0.00 60.65 58.35 2k43 h LYS 106 Cb 1.09 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.42 2k43 h LYS 106 CO 1.06 0.49 0.00 -1.71 -2.00 0.00 0.00 179.45 177.29 2k43 n ASN 107 N -3.98 0.00 0.00 7.07 5.15 -1.26 -1.41 115.26 120.83 2k43 n ASN 107 Ca -0.02 0.34 0.00 0.00 -0.60 0.00 0.00 54.58 54.30 2k43 n ASN 107 Cb 0.50 -0.43 0.00 0.00 -0.53 0.00 0.00 39.78 39.32 2k43 n ASN 107 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 2k43 n GLY 108 N 0.39 0.60 3.34 8.20 0.00 -0.22 -4.82 105.19 112.68 2k43 n GLY 108 Ca 0.06 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 45.97 2k43 n GLY 108 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2k43 s SER 109 N 1.00 -0.31 -0.73 1.61 0.01 0.38 -1.31 113.70 114.33 2k43 s SER 109 Ca 0.00 -0.22 -0.20 0.00 1.31 0.00 0.00 55.95 56.84 2k43 s SER 109 Cb 0.00 0.50 0.10 0.00 0.21 0.00 0.00 66.02 66.83 2k43 s SER 109 CO 0.00 -0.86 0.95 0.00 0.41 0.00 0.00 173.24 173.74 2k43 s LYS 111 N 3.22 0.35 -0.34 0.00 0.00 -1.20 -1.44 119.74 120.33 2k43 s LYS 111 Ca 0.23 -0.50 -0.00 0.00 0.00 0.00 0.00 55.97 55.70 2k43 s LYS 111 Cb -0.15 -1.66 0.14 0.00 0.00 0.00 0.00 37.83 36.16 2k43 s LYS 111 CO 0.03 -0.85 0.21 1.03 0.00 0.00 0.00 175.35 175.77 2k43 s ARG 112 N 1.97 0.49 -0.13 1.78 1.81 0.00 -4.68 118.95 120.21 2k43 s ARG 112 Ca 0.05 -1.14 -0.12 0.00 -1.72 0.00 0.00 55.73 52.80 2k43 s ARG 112 Cb -0.16 -1.21 -0.04 0.00 -0.45 0.00 0.00 34.95 33.09 2k43 s ARG 112 CO -0.22 -1.18 -0.23 0.41 -0.68 0.00 0.00 175.30 173.40 2k43 n GLY 113 N 4.27 -0.59 0.33 -3.53 0.00 0.19 -3.97 105.19 101.89 2k43 n GLY 113 Ca 0.09 -0.22 0.20 0.00 0.00 0.00 0.00 46.02 46.09 2k43 n GLY 113 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 2k43 h PRO 114 N -0.74 0.02 0.00 1.61 0.11 -1.93 -2.55 132.00 128.52 2k43 h PRO 114 Ca 0.00 -0.00 -0.03 0.00 0.11 0.00 0.00 66.00 66.08 2k43 h PRO 114 Cb 0.67 -0.00 -0.06 0.00 0.11 0.00 0.00 31.00 31.71 2k43 h PRO 114 CO 0.00 0.01 -0.45 0.54 -0.21 0.00 0.00 178.00 177.90 2k43 n ARG 115 N -5.40 1.07 -1.89 1.05 3.00 -1.26 -4.98 116.66 108.25 2k43 n ARG 115 Ca 0.28 -2.63 -0.43 0.00 -0.01 0.00 0.00 57.85 55.05 2k43 n ARG 115 Cb 0.92 -1.20 -0.03 0.00 0.00 0.00 0.00 32.46 32.16 2k43 n ARG 115 CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 177.63 178.58 2k43 s THR 116 N -2.25 3.35 0.00 0.55 -4.23 -0.96 -3.73 115.64 108.37 2k43 s THR 116 Ca 0.31 0.35 0.00 0.00 -1.18 0.00 0.00 61.69 61.18 2k43 s THR 116 Cb 0.31 -3.47 0.00 0.00 1.34 0.00 0.00 72.50 70.68 2k43 s THR 116 CO -0.05 -0.30 0.00 1.57 -0.54 0.00 0.00 174.62 175.30 2k43 n HIS 117 N 10.70 0.00 -2.77 3.99 -0.00 -1.26 -4.54 115.22 121.34 2k43 n HIS 117 Ca 0.25 0.00 -0.43 0.00 -0.00 0.00 0.00 57.72 57.54 2k43 n HIS 117 Cb 0.46 0.00 -0.01 0.00 -0.00 0.00 0.00 29.99 30.45 2k43 n HIS 117 CO 0.00 0.00 0.00 0.71 -0.00 0.00 0.00 176.34 177.05 2k43 s TYR 118 N -1.89 3.09 -0.14 1.57 2.02 -1.26 -3.89 117.35 116.85 2k43 s TYR 118 Ca 0.00 -1.74 0.07 0.00 -0.37 0.00 0.00 57.07 55.03 2k43 s TYR 118 Cb 0.00 -4.52 -0.13 0.00 -0.40 0.00 0.00 41.96 36.91 2k43 s TYR 118 CO 0.00 -1.62 -0.03 0.41 -1.57 0.00 0.00 175.55 172.74 2k43 n GLY 119 N 5.02 -0.45 3.03 0.71 0.00 -1.24 -5.04 105.19 107.22 2k43 n GLY 119 Ca 0.40 -0.17 -0.14 0.00 0.00 0.00 0.00 46.02 46.11 2k43 n GLY 119 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 2k43 s GLN 120 N -2.31 0.51 -0.00 1.61 -1.52 -1.25 -5.01 119.66 111.69 2k43 s GLN 120 Ca -0.12 -0.55 0.00 0.00 -1.95 0.00 0.00 55.36 52.74 2k43 s GLN 120 Cb 0.04 -0.37 0.00 0.00 -0.22 0.00 0.00 33.01 32.47 2k43 s GLN 120 CO 0.45 0.08 0.92 1.63 -0.25 0.00 0.00 175.29 178.12 2k43 n LYS 121 N 2.03 1.01 0.00 2.91 4.01 -1.26 -2.43 118.16 124.42 2k43 n LYS 121 Ca -0.19 -0.01 0.13 0.00 -0.51 0.00 0.00 58.31 57.74 2k43 n LYS 121 Cb 0.56 -1.09 0.63 0.00 -0.51 0.00 0.00 35.03 34.63 2k43 n LYS 121 CO 0.00 0.00 0.00 0.00 -1.11 0.00 0.00 177.40 176.29 2k43 n ALA 122 N -0.41 2.31 1.38 7.82 0.00 -1.26 -2.27 120.51 128.08 2k43 n ALA 122 Ca 0.00 -0.11 0.13 0.00 0.00 0.00 0.00 53.44 53.46 2k43 n ALA 122 Cb 0.04 -1.45 0.46 0.00 0.00 0.00 0.00 19.45 18.50 2k43 n ALA 122 CO 0.00 0.00 0.00 -0.89 0.00 0.00 0.00 177.50 176.61 2k43 n ILE 123 N -1.41 0.05 -3.39 0.00 2.08 -1.02 -2.95 119.36 112.72 2k43 n ILE 123 Ca 0.09 -0.30 -0.45 0.00 0.56 0.00 0.00 62.75 62.65 2k43 n ILE 123 Cb 0.28 0.57 -0.04 0.00 -0.75 0.00 0.00 39.64 39.70 2k43 n ILE 123 CO 0.00 0.00 0.00 -0.22 0.56 0.00 0.00 176.55 176.89 2k43 s LEU 124 N -1.91 6.46 0.07 1.39 2.96 -0.96 -4.51 118.68 122.18 2k43 s LEU 124 Ca 0.36 -2.57 -0.02 0.00 -0.22 0.00 0.00 54.13 51.68 2k43 s LEU 124 Cb 0.20 -2.16 -0.04 0.00 0.50 0.00 0.00 46.19 44.69 2k43 s LEU 124 CO 0.32 -0.59 0.25 -0.36 -1.32 0.00 0.00 176.35 174.66 2k43 s PHE 125 N 0.35 3.51 -0.03 5.38 0.08 -0.43 -3.12 117.98 123.73 2k43 s PHE 125 Ca 0.15 0.36 0.01 0.00 0.12 0.00 0.00 56.93 57.57 2k43 s PHE 125 Cb -0.14 -1.84 0.01 0.00 -0.57 0.00 0.00 43.02 40.48 2k43 s PHE 125 CO -0.06 0.55 -0.03 -0.51 -0.10 0.00 0.00 175.22 175.07 2k43 s LEU 126 N -2.46 1.53 -0.34 -0.37 1.43 0.17 -1.35 118.68 117.29 2k43 s LEU 126 Ca 0.36 -0.09 -0.09 0.00 -1.03 0.00 0.00 54.13 53.28 2k43 s LEU 126 Cb -0.13 -0.32 0.02 0.00 0.03 0.00 0.00 46.19 45.79 2k43 s LEU 126 CO 0.26 -0.02 0.16 -2.16 0.23 0.00 0.00 176.35 174.81 2k43 s PRO 127 N 0.57 2.94 -0.35 1.29 0.04 -1.26 -1.78 135.00 136.44 2k43 s PRO 127 Ca -0.07 -0.99 0.02 0.00 0.04 0.00 0.00 61.00 60.00 2k43 s PRO 127 Cb -0.10 -3.59 0.09 0.00 0.04 0.00 0.00 34.50 30.95 2k43 s PRO 127 CO -0.00 -0.59 0.07 -0.51 0.04 0.00 0.00 177.00 176.00 2k43 s LEU 128 N 1.53 4.70 0.52 -3.56 1.43 -0.77 -4.97 118.68 117.55 2k43 s LEU 128 Ca 0.02 -1.98 -0.07 0.00 -1.03 0.00 0.00 54.13 51.07 2k43 s LEU 128 Cb -0.18 -1.68 -0.04 0.00 0.03 0.00 0.00 46.19 44.32 2k43 s LEU 128 CO 0.05 -0.39 0.86 -2.16 0.23 0.00 0.00 176.35 174.94 2k43 s PRO 129 N 1.01 3.57 -0.16 1.29 0.04 -1.26 0.12 135.00 139.60 2k43 s PRO 129 Ca 0.07 0.38 -0.29 0.00 0.04 0.00 0.00 61.00 61.20 2k43 s PRO 129 Cb -0.20 -2.28 -0.01 0.00 0.04 0.00 0.00 34.50 32.05 2k43 s PRO 129 CO -0.06 -0.32 1.17 0.08 0.04 0.00 0.00 177.00 177.91 2k43 s VAL 130 N -2.87 4.43 0.28 -0.36 1.01 -0.57 -4.88 120.40 117.42 2k43 s VAL 130 Ca 0.50 1.72 0.03 0.00 0.00 0.00 0.00 61.98 64.23 2k43 s VAL 130 Cb -0.11 -4.11 -0.03 0.00 0.00 0.00 0.00 36.38 32.13 2k43 s VAL 130 CO 0.47 -0.12 0.43 -0.44 0.00 0.00 0.00 175.10 175.45 2k43 s SER 131 N 1.62 6.31 -0.44 3.32 0.01 -1.26 -0.59 113.70 122.67 2k43 s SER 131 Ca 0.51 0.23 -0.19 0.00 1.31 0.00 0.00 55.95 57.81 2k43 s SER 131 Cb -0.20 -1.93 0.03 0.00 0.21 0.00 0.00 66.02 64.12 2k43 s SER 131 CO 0.14 -0.15 0.56 -0.44 0.41 0.00 0.00 173.24 173.75 2k43 s SER 132 N -3.94 6.26 0.00 2.44 0.01 -1.26 -3.72 113.70 113.49 2k43 s SER 132 Ca 0.36 -0.55 0.00 0.00 1.31 0.00 0.00 55.95 57.07 2k43 s SER 132 Cb -0.09 -2.28 0.00 0.00 0.21 0.00 0.00 66.02 63.86 2k43 s SER 132 CO 0.32 -0.71 0.23 -0.67 0.41 0.00 0.00 173.24 172.82