#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2kg2 s SER 2 N 0.00 6.28 -0.02 1.61 0.01 -1.26 -4.96 113.70 115.36 2kg2 s SER 2 Ca 0.00 -1.15 0.00 0.00 1.31 0.00 0.00 55.95 56.11 2kg2 s SER 2 Cb 0.00 -2.45 0.02 0.00 0.21 0.00 0.00 66.02 63.81 2kg2 s SER 2 CO 0.00 -1.43 0.01 -0.47 0.41 0.00 0.00 173.24 171.76 2kg2 s TYR 3 N 4.11 0.15 -0.19 2.43 5.04 -1.26 -5.13 117.35 122.50 2kg2 s TYR 3 Ca 0.28 0.05 0.01 0.00 -2.44 0.00 0.00 57.07 54.97 2kg2 s TYR 3 Cb -0.12 -0.26 0.04 0.00 0.35 0.00 0.00 41.96 41.97 2kg2 s TYR 3 CO 0.06 -0.08 -0.12 -1.50 -1.34 0.00 0.00 175.55 172.57 2kg2 s ILE 4 N 0.79 1.68 1.04 3.14 1.10 -1.26 -5.13 121.20 122.57 2kg2 s ILE 4 Ca -0.07 -0.96 -0.12 0.00 -0.51 0.00 0.00 60.65 58.99 2kg2 s ILE 4 Cb -0.10 -1.70 0.21 0.00 0.15 0.00 0.00 42.46 41.02 2kg2 s ILE 4 CO -0.02 0.24 1.07 -2.16 -2.11 0.00 0.00 174.94 171.97 2kg2 s PRO 5 N 1.39 0.07 -0.88 3.50 0.04 -1.26 -4.94 135.00 132.93 2kg2 s PRO 5 Ca 0.00 0.79 -0.03 0.00 0.04 0.00 0.00 61.00 61.80 2kg2 s PRO 5 Cb -0.15 -1.67 0.23 0.00 0.04 0.00 0.00 34.50 32.94 2kg2 s PRO 5 CO -0.09 -3.05 2.24 0.41 0.04 0.00 0.00 177.00 176.56 2kg2 n GLY 6 N -0.22 5.32 3.71 0.56 0.00 -1.26 -4.98 105.19 108.32 2kg2 n GLY 6 Ca 0.05 -2.27 -0.42 0.00 0.00 0.00 0.00 46.02 43.38 2kg2 n GLY 6 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 2kg2 s GLN 7 N -2.99 4.15 0.00 1.61 0.74 -1.26 -4.88 119.66 117.02 2kg2 s GLN 7 Ca 0.51 2.55 0.00 0.00 0.05 0.00 0.00 55.36 58.47 2kg2 s GLN 7 Cb 0.32 -3.18 0.00 0.00 1.10 0.00 0.00 33.01 31.25 2kg2 s GLN 7 CO -0.24 -0.74 0.00 -0.35 -0.55 0.00 0.00 175.29 173.42 2kg2 n PRO 8 N 4.27 0.00 0.03 1.67 -0.04 -1.26 -5.02 135.00 134.65 2kg2 n PRO 8 Ca 0.16 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.62 2kg2 n PRO 8 Cb 0.36 -0.29 0.00 0.00 -0.04 0.00 0.00 33.50 33.53 2kg2 n PRO 8 CO 0.00 0.00 0.00 1.33 -0.04 0.00 0.00 175.50 176.79 2kg2 n VAL 9 N -0.28 0.04 -0.13 0.52 0.24 -1.26 -4.98 118.33 112.47 2kg2 n VAL 9 Ca 0.00 0.01 -0.27 0.00 -2.04 0.00 0.00 64.34 62.04 2kg2 n VAL 9 Cb 0.00 -0.65 -0.10 0.00 -1.47 0.00 0.00 33.84 31.61 2kg2 n VAL 9 CO 0.00 0.00 0.00 1.07 -2.14 0.00 0.00 176.83 175.76 2kg2 n THR 10 N -2.79 1.53 -2.20 3.34 5.66 -1.26 -4.95 114.28 113.61 2kg2 n THR 10 Ca 0.00 -0.40 -0.41 0.00 -3.05 0.00 0.00 64.05 60.19 2kg2 n THR 10 Cb 0.06 -1.82 -0.03 0.00 -1.55 0.00 0.00 70.33 66.99 2kg2 n THR 10 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 2kg2 s ALA 11 N -2.50 3.52 -0.43 1.79 0.00 -1.26 -4.90 121.76 117.97 2kg2 s ALA 11 Ca -0.37 1.14 -0.12 0.00 0.00 0.00 0.00 51.96 52.60 2kg2 s ALA 11 Cb 0.13 -3.48 0.07 0.00 0.00 0.00 0.00 23.12 19.84 2kg2 s ALA 11 CO 0.52 -0.55 0.31 0.08 0.00 0.00 0.00 175.76 176.12 2kg2 s VAL 12 N -0.21 4.76 -0.09 0.00 1.01 -1.03 -4.03 120.40 120.80 2kg2 s VAL 12 Ca 0.55 -1.14 -0.29 0.00 0.00 0.00 0.00 61.98 61.09 2kg2 s VAL 12 Cb -0.37 -3.83 -0.02 0.00 0.00 0.00 0.00 36.38 32.16 2kg2 s VAL 12 CO 0.41 -0.49 0.98 -0.69 0.00 0.00 0.00 175.10 175.32 2kg2 s VAL 13 N 1.55 4.81 0.03 2.92 1.01 -1.26 -0.04 120.40 129.42 2kg2 s VAL 13 Ca 0.03 2.01 -0.07 0.00 0.00 0.00 0.00 61.98 63.95 2kg2 s VAL 13 Cb -0.23 -4.30 -0.00 0.00 0.00 0.00 0.00 36.38 31.85 2kg2 s VAL 13 CO 0.05 0.04 0.13 0.00 0.00 0.00 0.00 175.10 175.33 2kg2 s GLN 14 N 1.79 0.57 0.21 2.72 1.03 0.71 -4.78 119.66 121.92 2kg2 s GLN 14 Ca 0.48 -0.60 -0.12 0.00 0.04 0.00 0.00 55.36 55.16 2kg2 s GLN 14 Cb -0.19 0.23 -0.07 0.00 0.03 0.00 0.00 33.01 33.01 2kg2 s GLN 14 CO 0.20 -0.15 0.57 -0.98 -2.54 0.00 0.00 175.29 172.39 2kg2 s ARG 15 N -2.17 3.89 0.11 9.60 1.04 -1.26 -0.26 118.95 129.90 2kg2 s ARG 15 Ca -0.08 0.39 0.06 0.00 -1.04 0.00 0.00 55.73 55.06 2kg2 s ARG 15 Cb -0.03 -2.73 -0.03 0.00 -2.04 0.00 0.00 34.95 30.11 2kg2 s ARG 15 CO -0.02 0.36 -0.16 0.08 -0.04 0.00 0.00 175.30 175.52 2kg2 s VAL 16 N -1.71 1.41 -0.25 4.99 1.01 0.18 -4.91 120.40 121.11 2kg2 s VAL 16 Ca 0.45 -1.58 -0.03 0.00 0.00 0.00 0.00 61.98 60.82 2kg2 s VAL 16 Cb -0.12 -1.43 0.08 0.00 0.00 0.00 0.00 36.38 34.90 2kg2 s VAL 16 CO 0.20 -0.26 0.08 -0.70 0.00 0.00 0.00 175.10 174.42 2kg2 s GLU 17 N -2.23 0.53 -0.13 2.72 2.12 -1.26 -0.39 118.70 120.07 2kg2 s GLU 17 Ca 0.06 -0.65 -0.17 0.00 0.36 0.00 0.00 54.97 54.57 2kg2 s GLU 17 Cb -0.08 -1.84 -0.04 0.00 0.26 0.00 0.00 34.13 32.43 2kg2 s GLU 17 CO 0.03 -0.85 0.44 0.42 -0.54 0.00 0.00 175.26 174.77 2kg2 s ILE 18 N 1.85 5.21 -0.02 -3.70 1.09 -0.68 -4.68 121.20 120.27 2kg2 s ILE 18 Ca 0.05 0.86 -0.04 0.00 -1.10 0.00 0.00 60.65 60.42 2kg2 s ILE 18 Cb -0.17 -3.78 -0.04 0.00 -1.06 0.00 0.00 42.46 37.41 2kg2 s ILE 18 CO -0.20 0.33 0.20 -1.00 -0.10 0.00 0.00 174.94 174.17 2kg2 s HIS 19 N 0.64 3.56 -0.09 3.97 3.76 -1.26 -1.09 115.29 124.78 2kg2 s HIS 19 Ca 0.24 0.44 -0.32 0.00 -0.15 0.00 0.00 55.06 55.27 2kg2 s HIS 19 Cb -0.15 -1.89 -0.15 0.00 1.11 0.00 0.00 32.58 31.50 2kg2 s HIS 19 CO 0.09 0.65 0.91 0.36 -0.85 0.00 0.00 174.74 175.90 2kg2 n LYS 20 N 1.15 0.00 -4.00 1.40 2.85 -0.97 -4.72 118.16 113.87 2kg2 n LYS 20 Ca -0.12 0.00 -0.30 0.00 -1.05 0.00 0.00 58.31 56.84 2kg2 n LYS 20 Cb 0.53 -1.14 -0.16 0.00 -0.65 0.00 0.00 35.03 33.60 2kg2 n LYS 20 CO 0.00 0.00 0.00 -1.17 -0.05 0.00 0.00 177.40 176.18 2kg2 s LEU 21 N 0.55 1.80 -0.41 -5.58 2.96 -1.04 -5.01 118.68 111.94 2kg2 s LEU 21 Ca 0.72 -0.59 -0.23 0.00 -0.22 0.00 0.00 54.13 53.81 2kg2 s LEU 21 Cb -1.01 -1.15 0.02 0.00 0.50 0.00 0.00 46.19 44.55 2kg2 s LEU 21 CO 0.48 -0.09 0.77 -0.13 -1.32 0.00 0.00 176.35 176.06 2kg2 s ARG 22 N 1.49 3.54 -0.27 1.98 1.81 -1.26 -0.09 118.95 126.15 2kg2 s ARG 22 Ca 0.03 0.04 0.01 0.00 -1.72 0.00 0.00 55.73 54.09 2kg2 s ARG 22 Cb -0.14 -3.89 0.05 0.00 -0.45 0.00 0.00 34.95 30.53 2kg2 s ARG 22 CO -0.10 -1.00 -0.07 -0.65 -0.68 0.00 0.00 175.30 172.81 2kg2 s GLN 23 N 3.17 2.34 5.95 3.54 -1.52 -0.65 -4.95 119.66 127.53 2kg2 s GLN 23 Ca 0.30 -1.30 0.00 0.00 -1.95 0.00 0.00 55.36 52.41 2kg2 s GLN 23 Cb -0.13 -2.99 0.00 0.00 -0.22 0.00 0.00 33.01 29.68 2kg2 s GLN 23 CO 0.20 -0.57 0.00 0.41 -0.25 0.00 0.00 175.29 175.08 2kg2 n GLY 24 N 4.51 1.46 0.49 3.09 0.00 -1.26 -0.57 105.19 112.91 2kg2 n GLY 24 Ca -0.14 0.11 0.05 0.00 0.00 0.00 0.00 46.02 46.04 2kg2 n GLY 24 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 2kg2 n GLU 25 N 0.00 2.74 -4.04 1.61 1.02 -1.26 -5.02 120.64 115.69 2kg2 n GLU 25 Ca 0.00 -2.16 -0.25 0.00 -0.02 0.00 0.00 57.16 54.73 2kg2 n GLU 25 Cb 0.00 -1.36 -0.06 0.00 -0.02 0.00 0.00 31.44 30.00 2kg2 n GLU 25 CO 0.00 0.00 0.00 -0.80 1.18 0.00 0.00 177.13 177.51 2kg2 s ASN 26 N -1.41 4.53 -0.21 1.62 0.01 0.26 -5.09 114.94 114.65 2kg2 s ASN 26 Ca 0.23 -1.08 0.00 0.00 -0.71 0.00 0.00 52.86 51.30 2kg2 s ASN 26 Cb 0.16 -0.31 0.05 0.00 0.41 0.00 0.00 41.25 41.56 2kg2 s ASN 26 CO 0.09 -0.66 -0.06 -0.22 -1.51 0.00 0.00 177.10 174.75 2kg2 s LEU 27 N -3.99 2.26 0.28 0.60 1.98 -1.26 -1.64 118.68 116.91 2kg2 s LEU 27 Ca 0.39 -1.01 0.07 0.00 -2.89 0.00 0.00 54.13 50.69 2kg2 s LEU 27 Cb 0.02 -1.11 -0.06 0.00 0.66 0.00 0.00 46.19 45.70 2kg2 s LEU 27 CO 0.22 -0.21 -0.07 -0.63 -1.89 0.00 0.00 176.35 173.77 2kg2 s ILE 28 N 1.46 1.73 -1.80 6.68 1.01 0.88 -4.17 121.20 126.99 2kg2 s ILE 28 Ca -0.04 -2.14 0.28 0.00 0.00 0.00 0.00 60.65 58.75 2kg2 s ILE 28 Cb -0.18 -2.45 0.39 0.00 0.01 0.00 0.00 42.46 40.23 2kg2 s ILE 28 CO -0.07 -0.30 1.72 0.18 0.00 0.00 0.00 174.94 176.47 2kg2 n LEU 29 N -0.60 0.82 0.00 2.97 4.77 -1.26 -2.48 117.00 121.22 2kg2 n LEU 29 Ca -0.05 -0.17 0.00 0.00 -0.03 0.00 0.00 56.01 55.75 2kg2 n LEU 29 Cb 0.63 -0.13 0.00 0.00 -2.33 0.00 0.00 43.42 41.59 2kg2 n LEU 29 CO 0.40 0.15 0.00 0.61 -1.33 0.00 0.00 177.39 177.22 2kg2 n GLY 30 N 1.29 2.37 3.91 -0.72 0.00 -1.26 -3.65 105.19 107.13 2kg2 n GLY 30 Ca 0.14 -0.51 -0.27 0.00 0.00 0.00 0.00 46.02 45.38 2kg2 n GLY 30 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 2kg2 s PHE 31 N -0.25 3.16 0.34 1.61 -0.71 -1.26 -3.25 117.98 117.62 2kg2 s PHE 31 Ca 0.00 0.68 0.07 0.00 -1.04 0.00 0.00 56.93 56.64 2kg2 s PHE 31 Cb 0.00 -2.98 -0.07 0.00 -1.21 0.00 0.00 43.02 38.76 2kg2 s PHE 31 CO 0.00 -1.12 -0.04 -1.12 -1.34 0.00 0.00 175.22 171.60 2kg2 s SER 32 N -4.39 3.37 0.28 1.98 0.01 0.24 -4.92 113.70 110.27 2kg2 s SER 32 Ca 0.57 -1.26 0.07 0.00 1.31 0.00 0.00 55.95 56.64 2kg2 s SER 32 Cb -0.11 -0.29 -0.06 0.00 0.21 0.00 0.00 66.02 65.78 2kg2 s SER 32 CO 0.47 -0.35 -0.07 0.27 0.41 0.00 0.00 173.24 173.97 2kg2 s ILE 33 N -2.82 1.72 -0.10 1.44 -4.36 -1.26 -1.45 121.20 114.37 2kg2 s ILE 33 Ca 0.33 -2.14 0.05 0.00 -0.26 0.00 0.00 60.65 58.63 2kg2 s ILE 33 Cb 0.06 -2.44 -0.07 0.00 1.25 0.00 0.00 42.46 41.25 2kg2 s ILE 33 CO 0.16 -0.31 0.16 0.61 0.24 0.00 0.00 174.94 175.79 2kg2 n GLY 34 N -0.59 0.04 0.00 6.27 0.00 0.27 -4.57 105.19 106.60 2kg2 n GLY 34 Ca -0.06 -0.14 0.00 0.00 0.00 0.00 0.00 46.02 45.83 2kg2 n GLY 34 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2kg2 n GLY 35 N 1.79 2.78 0.00 -0.02 0.00 -1.26 -4.91 105.19 103.57 2kg2 n GLY 35 Ca -0.00 -2.03 0.00 0.00 0.00 0.00 0.00 46.02 43.99 2kg2 n GLY 35 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2kg2 n GLY 36 N -1.25 1.90 0.15 -0.02 0.00 -1.25 -3.02 105.19 101.70 2kg2 n GLY 36 Ca 0.00 -0.06 0.13 0.00 0.00 0.00 0.00 46.02 46.09 2kg2 n GLY 36 CO 0.00 0.00 0.00 0.16 0.00 0.00 0.00 173.32 173.48 2kg2 h ILE 37 N 0.00 0.00 0.00 -0.61 -2.65 -1.83 -1.46 117.51 110.96 2kg2 h ILE 37 Ca 0.00 -0.28 0.00 0.00 1.03 0.00 0.00 64.86 65.61 2kg2 h ILE 37 Cb 0.00 1.05 0.00 0.00 -2.05 0.00 0.00 36.82 35.82 2kg2 h ILE 37 CO 0.00 0.00 0.00 -0.78 0.03 0.00 0.00 178.15 177.40 2kg2 h ASP 38 N 0.00 0.00 -2.86 2.16 1.82 -1.93 -3.42 116.42 112.19 2kg2 h ASP 38 Ca 0.00 0.00 -0.61 0.00 -0.39 0.00 0.00 57.03 56.03 2kg2 h ASP 38 Cb 0.40 0.00 -0.13 0.00 0.68 0.00 0.00 39.33 40.28 2kg2 h ASP 38 CO 0.00 0.00 -0.70 -1.10 -1.61 0.00 0.00 179.24 175.83 2kg2 s GLN 39 N -3.63 2.17 -0.19 0.28 -1.52 -0.55 -4.98 119.66 111.24 2kg2 s GLN 39 Ca 0.02 -1.25 -0.12 0.00 -1.95 0.00 0.00 55.36 52.06 2kg2 s GLN 39 Cb 0.09 -2.21 -0.05 0.00 -0.22 0.00 0.00 33.01 30.62 2kg2 s GLN 39 CO 0.55 0.43 0.21 0.34 -0.25 0.00 0.00 175.29 176.56 2kg2 s ASP 40 N -2.97 6.29 0.65 5.90 -1.08 -1.26 -4.85 116.67 119.35 2kg2 s ASP 40 Ca 0.26 0.33 0.37 0.00 -0.52 0.00 0.00 52.55 53.00 2kg2 s ASP 40 Cb -0.09 -2.13 2.04 0.00 -1.46 0.00 0.00 42.92 41.28 2kg2 s ASP 40 CO 0.17 0.13 2.19 1.55 0.52 0.00 0.00 175.17 179.73 2kg2 h PRO 41 N 6.78 0.00 0.00 4.34 0.13 -1.90 0.19 132.00 141.54 2kg2 h PRO 41 Ca -0.41 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.72 2kg2 h PRO 41 Cb 1.16 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.29 2kg2 h PRO 41 CO 0.75 0.00 0.00 0.43 -0.23 0.00 0.00 178.00 178.95 2kg2 n SER 42 N -3.20 0.19 -0.05 1.44 7.64 -1.26 -3.08 113.62 115.30 2kg2 n SER 42 Ca -0.02 0.52 0.01 0.00 1.01 0.00 0.00 58.87 60.39 2kg2 n SER 42 Cb 0.20 -0.57 0.01 0.00 -1.01 0.00 0.00 64.21 62.84 2kg2 n SER 42 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 2kg2 n GLN 43 N -1.68 1.34 -3.89 1.43 10.64 0.57 -5.06 117.38 120.74 2kg2 n GLN 43 Ca 0.06 -1.12 -0.35 0.00 -1.83 0.00 0.00 57.00 53.76 2kg2 n GLN 43 Cb 0.31 -0.79 -0.05 0.00 -0.86 0.00 0.00 30.24 28.86 2kg2 n GLN 43 CO 0.00 0.00 0.00 -0.80 -1.83 0.00 0.00 177.06 174.43 2kg2 s ASN 44 N -0.72 6.38 -0.00 2.61 0.01 -0.64 -4.90 114.94 117.68 2kg2 s ASN 44 Ca 0.02 0.41 -0.25 0.00 -0.71 0.00 0.00 52.86 52.34 2kg2 s ASN 44 Cb 0.02 -2.04 -0.17 0.00 0.41 0.00 0.00 41.25 39.47 2kg2 s ASN 44 CO 0.00 0.33 1.24 1.55 -1.51 0.00 0.00 177.10 178.71 2kg2 h PRO 45 N 4.34 -0.24 -0.32 -0.60 0.13 -1.92 -3.17 132.00 130.23 2kg2 h PRO 45 Ca -0.52 0.02 0.00 0.00 -0.87 0.00 0.00 66.00 64.63 2kg2 h PRO 45 Cb 1.21 0.05 0.00 0.00 0.13 0.00 0.00 31.00 32.39 2kg2 h PRO 45 CO 0.64 0.11 0.00 1.19 -0.23 0.00 0.00 178.00 179.71 2kg2 n PHE 46 N -5.03 1.01 -0.12 1.56 3.72 -1.26 -4.18 117.46 113.15 2kg2 n PHE 46 Ca -0.09 -0.79 0.00 0.00 -0.05 0.00 0.00 57.45 56.52 2kg2 n PHE 46 Cb 0.24 -0.29 0.00 0.00 -0.94 0.00 0.00 39.48 38.50 2kg2 n PHE 46 CO 0.00 0.00 0.00 0.45 -0.05 0.00 0.00 176.76 177.16 2kg2 n SER 47 N -0.15 0.64 -0.10 4.37 2.88 -1.25 -4.68 113.62 115.33 2kg2 n SER 47 Ca 0.21 -0.86 0.14 0.00 -1.33 0.00 0.00 58.87 57.03 2kg2 n SER 47 Cb 0.85 0.20 0.66 0.00 -0.75 0.00 0.00 64.21 65.17 2kg2 n SER 47 CO 0.00 0.00 0.00 -1.84 -1.23 0.00 0.00 175.04 171.97 2kg2 n GLU 48 N -0.20 0.70 -0.24 -1.46 0.28 -1.20 -3.48 120.64 115.04 2kg2 n GLU 48 Ca 0.00 -0.19 -0.03 0.00 -0.16 0.00 0.00 57.16 56.78 2kg2 n GLU 48 Cb 0.03 -1.50 0.15 0.00 1.43 0.00 0.00 31.44 31.55 2kg2 n GLU 48 CO 0.00 0.00 0.00 0.22 -0.16 0.00 0.00 177.13 177.19 2kg2 h ASP 49 N 0.48 0.97 -1.46 -1.84 3.58 -1.87 -3.46 116.42 112.81 2kg2 h ASP 49 Ca 0.00 -0.11 0.00 0.00 0.42 0.00 0.00 57.03 57.34 2kg2 h ASP 49 Cb 0.32 -0.25 0.00 0.00 1.72 0.00 0.00 39.33 41.12 2kg2 h ASP 49 CO 0.00 0.82 0.00 0.29 -2.88 0.00 0.00 179.24 177.47 2kg2 n LYS 50 N -4.32 0.00 -0.02 0.28 4.76 -1.23 -5.02 118.16 112.60 2kg2 n LYS 50 Ca 0.07 0.00 0.13 0.00 -2.87 0.00 0.00 58.31 55.64 2kg2 n LYS 50 Cb 0.13 0.00 0.25 0.00 -1.84 0.00 0.00 35.03 33.58 2kg2 n LYS 50 CO 0.00 0.00 0.00 0.25 -1.37 0.00 0.00 177.40 176.28 2kg2 n THR 51 N 0.00 0.05 -2.35 -0.18 -2.24 -1.26 -4.86 114.28 103.44 2kg2 n THR 51 Ca 0.00 -0.44 -0.40 0.00 -2.27 0.00 0.00 64.05 60.94 2kg2 n THR 51 Cb 0.00 1.10 -0.03 0.00 -2.10 0.00 0.00 70.33 69.30 2kg2 n THR 51 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 2kg2 s ASP 52 N -1.94 5.82 1.09 3.42 2.15 -1.26 -4.92 116.67 121.03 2kg2 s ASP 52 Ca 0.32 -0.16 -0.18 0.00 0.43 0.00 0.00 52.55 52.96 2kg2 s ASP 52 Cb 0.20 -2.55 0.25 0.00 -0.30 0.00 0.00 42.92 40.53 2kg2 s ASP 52 CO 0.31 -2.05 1.22 -0.54 -0.17 0.00 0.00 175.17 173.94 2kg2 s LYS 53 N 6.23 -0.39 0.00 4.34 1.02 -1.26 -4.92 119.74 124.76 2kg2 s LYS 53 Ca 0.47 -0.27 0.00 0.00 0.02 0.00 0.00 55.97 56.19 2kg2 s LYS 53 Cb -0.10 -1.71 0.00 0.00 -0.52 0.00 0.00 37.83 35.50 2kg2 s LYS 53 CO 0.17 -3.12 0.00 0.41 -0.92 0.00 0.00 175.35 171.89 2kg2 n GLY 54 N -2.37 4.28 3.69 -3.33 0.00 -1.26 -4.87 105.19 101.34 2kg2 n GLY 54 Ca 0.15 -1.13 -0.42 0.00 0.00 0.00 0.00 46.02 44.61 2kg2 n GLY 54 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2kg2 s ILE 55 N -2.00 3.42 0.17 -0.61 -1.09 -1.21 -3.83 121.20 116.06 2kg2 s ILE 55 Ca 0.00 0.85 0.09 0.00 -2.23 0.00 0.00 60.65 59.35 2kg2 s ILE 55 Cb 0.00 -3.54 -0.04 0.00 -1.58 0.00 0.00 42.46 37.29 2kg2 s ILE 55 CO 0.00 0.00 -0.18 -0.72 -1.23 0.00 0.00 174.94 172.81 2kg2 s TYR 56 N 2.44 1.83 -0.02 3.97 -0.85 -1.17 0.04 117.35 123.59 2kg2 s TYR 56 Ca 0.68 -0.47 -0.29 0.00 -0.52 0.00 0.00 57.07 56.47 2kg2 s TYR 56 Cb -0.35 -0.90 -0.03 0.00 0.38 0.00 0.00 41.96 41.06 2kg2 s TYR 56 CO 0.29 0.35 0.92 0.08 -1.52 0.00 0.00 175.55 175.67 2kg2 s VAL 57 N -2.16 4.91 -0.04 -3.49 1.01 -0.49 -0.57 120.40 119.57 2kg2 s VAL 57 Ca 0.17 1.92 0.15 0.00 0.00 0.00 0.00 61.98 64.23 2kg2 s VAL 57 Cb -0.05 -4.26 -0.23 0.00 0.00 0.00 0.00 36.38 31.84 2kg2 s VAL 57 CO 0.07 0.18 0.34 0.35 0.00 0.00 0.00 175.10 176.04 2kg2 n THR 58 N 3.88 0.00 -3.69 3.92 -2.24 -0.53 -0.40 114.28 115.22 2kg2 n THR 58 Ca 0.04 -0.34 -0.13 0.00 -2.27 0.00 0.00 64.05 61.35 2kg2 n THR 58 Cb 0.51 0.18 -0.09 0.00 -2.10 0.00 0.00 70.33 68.83 2kg2 n THR 58 CO 0.00 0.00 0.00 -0.13 -0.57 0.00 0.00 175.07 174.37 2kg2 s ARG 59 N -3.04 0.60 0.49 -0.78 0.52 -1.24 -4.86 118.95 110.64 2kg2 s ARG 59 Ca -0.05 0.75 0.06 0.00 -0.52 0.00 0.00 55.73 55.97 2kg2 s ARG 59 Cb 0.10 0.27 0.01 0.00 0.52 0.00 0.00 34.95 35.84 2kg2 s ARG 59 CO 0.63 -0.08 0.35 0.14 0.02 0.00 0.00 175.30 176.37 2kg2 s VAL 60 N 0.40 2.02 -0.30 3.52 -7.23 -1.26 0.79 120.40 118.34 2kg2 s VAL 60 Ca -0.01 -1.49 -0.29 0.00 -1.81 0.00 0.00 61.98 58.38 2kg2 s VAL 60 Cb -0.04 -2.52 0.01 0.00 0.56 0.00 0.00 36.38 34.39 2kg2 s VAL 60 CO -0.01 0.00 1.18 -0.55 -0.31 0.00 0.00 175.10 175.41 2kg2 s SER 61 N -4.17 6.83 0.42 4.85 0.15 -1.20 -4.73 113.70 115.85 2kg2 s SER 61 Ca 0.39 1.17 0.18 0.00 0.70 0.00 0.00 55.95 58.39 2kg2 s SER 61 Cb -0.01 -2.54 1.00 0.00 -1.71 0.00 0.00 66.02 62.75 2kg2 s SER 61 CO 0.23 -0.95 1.50 1.05 1.20 0.00 0.00 173.24 176.27 2kg2 h GLU 62 N 8.56 0.00 -0.00 5.44 4.11 -1.97 -2.08 114.58 128.65 2kg2 h GLU 62 Ca -0.23 0.00 -0.13 0.00 0.07 0.00 0.00 59.36 59.06 2kg2 h GLU 62 Cb 1.08 0.00 -0.14 0.00 0.50 0.00 0.00 28.75 30.19 2kg2 h GLU 62 CO 1.03 0.00 -0.31 0.41 0.07 0.00 0.00 179.01 180.20 2kg2 n GLY 63 N -1.26 0.58 0.57 1.06 0.00 -1.26 -5.04 105.19 99.83 2kg2 n GLY 63 Ca -0.01 -0.03 -0.04 0.00 0.00 0.00 0.00 46.02 45.93 2kg2 n GLY 63 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2kg2 n GLY 64 N -0.05 3.15 0.25 -0.02 0.00 -0.78 -4.92 105.19 102.81 2kg2 n GLY 64 Ca -0.26 -2.20 0.10 0.00 0.00 0.00 0.00 46.02 43.66 2kg2 n GLY 64 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2kg2 h PRO 65 N 0.00 0.00 0.25 1.61 0.13 -1.85 -1.02 132.00 131.13 2kg2 h PRO 65 Ca -0.05 0.00 -0.01 0.00 -0.87 0.00 0.00 66.00 65.07 2kg2 h PRO 65 Cb 0.19 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 31.32 2kg2 h PRO 65 CO 0.09 0.13 -0.17 0.00 -0.23 0.00 0.00 178.00 177.82 2kg2 h ALA 66 N 1.87 -1.00 0.00 -0.56 0.00 -1.84 0.76 119.26 118.48 2kg2 h ALA 66 Ca -0.00 -0.08 -0.04 0.00 0.00 0.00 0.00 54.91 54.78 2kg2 h ALA 66 Cb 0.29 0.29 -0.01 0.00 0.00 0.00 0.00 17.79 18.37 2kg2 h ALA 66 CO 0.02 -0.99 -0.21 1.05 0.00 0.00 0.00 179.25 179.11 2kg2 h GLU 67 N -0.39 0.00 -0.74 0.00 4.11 -1.51 0.31 114.58 116.36 2kg2 h GLU 67 Ca -0.03 0.00 -0.04 0.00 0.07 0.00 0.00 59.36 59.36 2kg2 h GLU 67 Cb 0.32 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 29.54 2kg2 h GLU 67 CO 0.03 0.21 0.32 0.82 0.07 0.00 0.00 179.01 180.46 2kg2 h ILE 68 N 0.00 1.25 0.03 -1.06 1.08 -1.15 -3.12 117.51 114.55 2kg2 h ILE 68 Ca -0.00 -0.75 -0.13 0.00 -0.39 0.00 0.00 64.86 63.59 2kg2 h ILE 68 Cb 0.93 0.36 0.01 0.00 -3.07 0.00 0.00 36.82 35.06 2kg2 h ILE 68 CO 0.03 0.31 -0.53 0.00 -0.69 0.00 0.00 178.15 177.27 2kg2 h ALA 69 N 1.16 0.02 0.00 1.87 0.00 -0.55 -3.48 119.26 118.28 2kg2 h ALA 69 Ca 0.25 -0.57 0.00 0.00 0.00 0.00 0.00 54.91 54.59 2kg2 h ALA 69 Cb 0.18 0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.01 2kg2 h ALA 69 CO -0.02 0.27 0.00 0.41 0.00 0.00 0.00 179.25 179.90 2kg2 n GLY 70 N 1.23 -0.64 3.69 0.00 0.00 -0.02 -4.80 105.19 104.64 2kg2 n GLY 70 Ca -0.11 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.49 2kg2 n GLY 70 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 2kg2 s LEU 71 N 0.00 4.31 0.29 0.99 2.96 0.88 -4.91 118.68 123.20 2kg2 s LEU 71 Ca 0.00 1.89 0.11 0.00 -0.22 0.00 0.00 54.13 55.91 2kg2 s LEU 71 Cb 0.00 -3.56 -0.05 0.00 0.50 0.00 0.00 46.19 43.07 2kg2 s LEU 71 CO 0.00 -0.56 -0.18 -1.10 -1.32 0.00 0.00 176.35 173.19 2kg2 s GLN 72 N 1.92 1.69 0.17 1.98 -1.52 -1.26 -3.40 119.66 119.23 2kg2 s GLN 72 Ca 0.57 -1.79 -0.32 0.00 -1.95 0.00 0.00 55.36 51.88 2kg2 s GLN 72 Cb -0.26 -1.73 -0.11 0.00 -0.22 0.00 0.00 33.01 30.69 2kg2 s GLN 72 CO 0.24 0.29 1.69 0.42 -0.25 0.00 0.00 175.29 177.68 2kg2 s ILE 73 N -2.55 2.40 0.00 1.08 1.01 -1.26 -2.41 121.20 119.47 2kg2 s ILE 73 Ca 0.30 0.20 0.00 0.00 0.00 0.00 0.00 60.65 61.15 2kg2 s ILE 73 Cb -0.04 -3.13 0.00 0.00 0.01 0.00 0.00 42.46 39.30 2kg2 s ILE 73 CO 0.15 0.01 0.00 0.61 0.00 0.00 0.00 174.94 175.71 2kg2 n GLY 74 N 3.95 0.25 3.65 6.18 0.00 0.47 -5.00 105.19 114.69 2kg2 n GLY 74 Ca 0.16 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.75 2kg2 n GLY 74 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 2kg2 s ASP 75 N -2.03 6.98 -0.18 1.61 1.01 -1.01 -4.68 116.67 118.36 2kg2 s ASP 75 Ca 0.00 1.45 -0.21 0.00 0.71 0.00 0.00 52.55 54.50 2kg2 s ASP 75 Cb 0.00 -2.54 -0.03 0.00 1.01 0.00 0.00 42.92 41.36 2kg2 s ASP 75 CO 0.00 -0.77 0.64 -0.75 0.21 0.00 0.00 175.17 174.50 2kg2 s LYS 76 N 3.46 4.23 0.02 8.23 2.20 -1.19 -1.40 119.74 135.29 2kg2 s LYS 76 Ca 0.49 0.64 -0.21 0.00 -0.36 0.00 0.00 55.97 56.54 2kg2 s LYS 76 Cb -0.17 -3.56 -0.06 0.00 -1.51 0.00 0.00 37.83 32.53 2kg2 s LYS 76 CO 0.12 -0.21 0.62 0.42 -0.36 0.00 0.00 175.35 175.94 2kg2 s ILE 77 N 1.80 4.84 -0.08 5.43 1.09 0.11 -0.99 121.20 133.40 2kg2 s ILE 77 Ca 0.30 1.30 0.12 0.00 -1.10 0.00 0.00 60.65 61.27 2kg2 s ILE 77 Cb -0.16 -3.95 -0.17 0.00 -1.06 0.00 0.00 42.46 37.11 2kg2 s ILE 77 CO 0.11 0.44 0.14 0.23 -0.10 0.00 0.00 174.94 175.76 2kg2 n MET 78 N 2.52 1.36 -3.71 2.79 2.81 0.87 -3.80 117.12 119.97 2kg2 n MET 78 Ca -0.07 -0.05 -0.11 0.00 -1.81 0.00 0.00 57.70 55.66 2kg2 n MET 78 Cb 0.51 -1.32 -0.10 0.00 -0.71 0.00 0.00 33.22 31.60 2kg2 n MET 78 CO 0.00 0.00 0.00 -1.14 1.51 0.00 0.00 175.97 176.34 2kg2 s GLN 79 N -2.55 0.43 -0.09 0.03 -0.44 -1.13 -0.78 119.66 115.13 2kg2 s GLN 79 Ca -0.06 0.72 -0.02 0.00 -2.50 0.00 0.00 55.36 53.50 2kg2 s GLN 79 Cb 0.06 0.07 0.04 0.00 -1.64 0.00 0.00 33.01 31.54 2kg2 s GLN 79 CO 0.53 -0.12 0.03 0.08 0.50 0.00 0.00 175.29 176.31 2kg2 s VAL 80 N 0.96 0.23 -1.38 1.34 1.01 0.77 0.11 120.40 123.44 2kg2 s VAL 80 Ca -0.06 0.08 -0.00 0.00 0.00 0.00 0.00 61.98 62.00 2kg2 s VAL 80 Cb -0.06 -0.51 0.00 0.00 0.00 0.00 0.00 36.38 35.81 2kg2 s VAL 80 CO -0.08 0.12 0.48 -3.20 0.00 0.00 0.00 175.10 172.42 2kg2 n ASN 81 N 5.19 -0.49 0.00 3.32 4.05 0.11 0.12 115.26 127.56 2kg2 n ASN 81 Ca -0.06 -0.96 0.00 0.00 0.45 0.00 0.00 54.58 54.00 2kg2 n ASN 81 Cb 0.50 -3.29 0.00 0.00 1.23 0.00 0.00 39.78 38.22 2kg2 n ASN 81 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 177.26 174.82 2kg2 n GLY 82 N -1.89 0.30 3.58 8.20 0.00 -1.26 -4.93 105.19 109.19 2kg2 n GLY 82 Ca -0.31 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.47 2kg2 n GLY 82 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 173.32 173.98 2kg2 s TRP 83 N -1.69 2.57 -0.12 1.61 1.48 0.12 -5.11 118.94 117.80 2kg2 s TRP 83 Ca 0.00 -0.25 -0.23 0.00 -1.06 0.00 0.00 56.10 54.55 2kg2 s TRP 83 Cb 0.00 -1.15 -0.03 0.00 -1.16 0.00 0.00 33.47 31.13 2kg2 s TRP 83 CO 0.00 0.62 0.72 0.34 -4.06 0.00 0.00 176.95 174.57 2kg2 s ASP 84 N -3.46 6.92 0.00 -2.66 -1.08 -1.26 -0.16 116.67 114.97 2kg2 s ASP 84 Ca 0.30 1.11 0.03 0.00 -0.52 0.00 0.00 52.55 53.47 2kg2 s ASP 84 Cb -0.06 -2.41 0.00 0.00 -1.46 0.00 0.00 42.92 38.99 2kg2 s ASP 84 CO 0.18 -0.22 0.38 0.80 0.52 0.00 0.00 175.17 176.82 2kg2 n MET 85 N 4.40 2.44 0.23 4.34 0.00 0.04 -4.60 117.12 123.97 2kg2 n MET 85 Ca 0.00 -0.37 0.09 0.00 -0.00 0.00 0.00 57.70 57.42 2kg2 n MET 85 Cb 0.50 -0.86 0.54 0.00 0.00 0.00 0.00 33.22 33.40 2kg2 n MET 85 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 175.97 175.97 2kg2 h THR 86 N 0.33 0.70 -2.64 1.12 1.03 -1.19 -3.20 112.91 109.06 2kg2 h THR 86 Ca 0.00 -0.94 -0.59 0.00 -0.01 0.00 0.00 66.41 64.86 2kg2 h THR 86 Cb 0.10 1.59 -0.39 0.00 -1.07 0.00 0.00 68.15 68.38 2kg2 h THR 86 CO 0.00 0.22 -0.85 -0.32 -0.01 0.00 0.00 175.52 174.56 2kg2 s MET 87 N -3.96 1.01 -0.06 0.00 -2.45 -1.26 -4.17 119.30 108.41 2kg2 s MET 87 Ca -0.01 -1.94 -0.22 0.00 -1.25 0.00 0.00 55.69 52.27 2kg2 s MET 87 Cb 0.12 -1.75 0.05 0.00 1.25 0.00 0.00 34.83 34.50 2kg2 s MET 87 CO 0.63 -1.27 0.50 0.54 1.05 0.00 0.00 175.02 176.47 2kg2 s VAL 88 N 0.33 0.02 0.65 10.11 0.11 -1.25 -5.04 120.40 125.32 2kg2 s VAL 88 Ca 0.24 -0.20 -0.14 0.00 -2.93 0.00 0.00 61.98 58.95 2kg2 s VAL 88 Cb -0.12 -0.80 -0.01 0.00 -1.53 0.00 0.00 36.38 33.92 2kg2 s VAL 88 CO -0.08 -0.11 1.07 0.42 -3.33 0.00 0.00 175.10 173.07 2kg2 s THR 89 N -1.01 3.70 0.17 5.04 -4.23 -1.26 -3.58 115.64 114.46 2kg2 s THR 89 Ca -0.10 0.71 -0.14 0.00 -1.18 0.00 0.00 61.69 60.98 2kg2 s THR 89 Cb -0.03 -3.28 0.07 0.00 1.34 0.00 0.00 72.50 70.60 2kg2 s THR 89 CO 0.06 -0.56 1.74 -0.74 -0.54 0.00 0.00 174.62 174.58 2kg2 h HIS 90 N -0.08 0.22 -0.30 3.99 2.76 -1.91 0.12 115.15 119.97 2kg2 h HIS 90 Ca -0.46 0.02 0.02 0.00 -2.20 0.00 0.00 60.37 57.75 2kg2 h HIS 90 Cb 1.22 -0.03 -0.02 0.00 1.55 0.00 0.00 27.41 30.13 2kg2 h HIS 90 CO 0.58 0.06 0.16 0.22 -1.30 0.00 0.00 177.93 177.66 2kg2 h ASP 91 N 0.28 0.25 -0.20 3.26 3.58 -1.99 0.16 116.42 121.76 2kg2 h ASP 91 Ca 0.21 0.01 -0.20 0.00 0.42 0.00 0.00 57.03 57.47 2kg2 h ASP 91 Cb 0.23 -0.04 0.00 0.00 1.72 0.00 0.00 39.33 41.24 2kg2 h ASP 91 CO -0.24 0.18 -0.63 1.56 -2.88 0.00 0.00 179.24 177.23 2kg2 h GLN 92 N 0.33 0.81 -0.68 0.28 7.50 -1.88 -3.13 115.11 118.34 2kg2 h GLN 92 Ca 0.12 -0.57 -0.03 0.00 0.50 0.00 0.00 58.65 58.67 2kg2 h GLN 92 Cb 0.02 0.09 -0.03 0.00 0.05 0.00 0.00 27.48 27.61 2kg2 h GLN 92 CO -0.07 1.19 0.29 0.00 -1.50 0.00 0.00 178.83 178.74 2kg2 h ALA 93 N 0.67 0.89 -0.11 3.87 0.00 -0.37 -2.29 119.26 121.91 2kg2 h ALA 93 Ca -0.01 -0.17 0.03 0.00 0.00 0.00 0.00 54.91 54.76 2kg2 h ALA 93 Cb 1.25 -0.27 -0.00 0.00 0.00 0.00 0.00 17.79 18.76 2kg2 h ALA 93 CO 0.13 0.49 0.12 0.00 0.00 0.00 0.00 179.25 179.99 2kg2 h ARG 94 N 0.96 0.00 -0.46 0.00 2.47 -0.63 0.33 114.38 117.05 2kg2 h ARG 94 Ca 0.23 0.00 0.00 0.00 -1.26 0.00 0.00 59.98 58.95 2kg2 h ARG 94 Cb 0.18 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 28.50 2kg2 h ARG 94 CO -0.02 0.00 0.00 1.63 0.56 0.00 0.00 179.97 182.14 2kg2 n LYS 95 N -3.91 2.24 0.00 0.04 4.76 -0.87 -3.48 118.16 116.95 2kg2 n LYS 95 Ca -0.00 -1.91 0.00 0.00 -2.87 0.00 0.00 58.31 53.52 2kg2 n LYS 95 Cb 0.22 -1.44 0.00 0.00 -1.84 0.00 0.00 35.03 31.97 2kg2 n LYS 95 CO 0.00 0.00 0.00 -2.13 -1.37 0.00 0.00 177.40 173.90 2kg2 n ARG 96 N 1.07 0.58 -0.04 1.97 0.63 0.48 -4.56 116.66 116.79 2kg2 n ARG 96 Ca 0.18 0.00 -0.21 0.00 -0.92 0.00 0.00 57.85 56.91 2kg2 n ARG 96 Cb 0.47 -0.58 -0.13 0.00 0.45 0.00 0.00 32.46 32.67 2kg2 n ARG 96 CO 0.00 0.00 0.00 1.47 -2.51 0.00 0.00 177.63 176.59 2kg2 n LEU 97 N -0.83 2.69 -1.46 6.15 -0.00 0.88 -4.34 117.00 120.09 2kg2 n LEU 97 Ca 0.00 0.13 0.09 0.00 -0.00 0.00 0.00 56.01 56.23 2kg2 n LEU 97 Cb 0.08 -1.06 0.34 0.00 -0.00 0.00 0.00 43.42 42.78 2kg2 n LEU 97 CO 0.00 0.85 0.80 1.07 -0.00 0.00 0.00 177.39 180.11 2kg2 n THR 98 N -3.48 1.80 -0.60 1.47 5.66 -1.23 -4.57 114.28 113.33 2kg2 n THR 98 Ca -0.36 -1.24 -0.19 0.00 -3.05 0.00 0.00 64.05 59.22 2kg2 n THR 98 Cb 1.01 0.13 0.16 0.00 -1.55 0.00 0.00 70.33 70.09 2kg2 n THR 98 CO 0.00 0.00 0.00 2.29 -3.05 0.00 0.00 175.07 174.31 2kg2 n LYS 99 N 0.96 -2.83 0.00 1.09 2.85 -1.23 -4.78 118.16 114.23 2kg2 n LYS 99 Ca 0.24 -1.02 0.00 0.00 -1.05 0.00 0.00 58.31 56.49 2kg2 n LYS 99 Cb 0.85 -1.06 0.00 0.00 -0.65 0.00 0.00 35.03 34.17 2kg2 n LYS 99 CO 0.00 0.00 0.00 2.89 -0.05 0.00 0.00 177.40 180.24 2kg2 n ARG 100 N -3.84 1.78 -0.18 -1.58 1.85 -1.26 -4.56 116.66 108.87 2kg2 n ARG 100 Ca 0.09 -0.28 -0.10 0.00 -1.00 0.00 0.00 57.85 56.56 2kg2 n ARG 100 Cb 0.37 -0.76 0.01 0.00 -1.05 0.00 0.00 32.46 31.02 2kg2 n ARG 100 CO 0.00 0.00 0.00 1.03 -0.01 0.00 0.00 177.63 178.65 2kg2 h SER 101 N 0.00 1.01 -1.01 2.89 0.87 -1.95 -3.45 113.55 111.90 2kg2 h SER 101 Ca 0.00 -0.35 -0.47 0.00 -1.23 0.00 0.00 61.79 59.74 2kg2 h SER 101 Cb 0.03 -0.27 0.02 0.00 -0.44 0.00 0.00 62.40 61.74 2kg2 h SER 101 CO 0.00 1.13 -0.17 -1.61 -0.53 0.00 0.00 176.83 175.65 2kg2 s GLU 102 N -4.84 2.48 0.19 2.24 8.01 -1.26 -5.07 118.70 120.44 2kg2 s GLU 102 Ca -0.12 -1.53 0.00 0.00 0.01 0.00 0.00 54.97 53.33 2kg2 s GLU 102 Cb 0.13 -2.65 0.00 0.00 -4.31 0.00 0.00 34.13 27.30 2kg2 s GLU 102 CO 0.86 -0.64 0.00 -0.85 0.01 0.00 0.00 175.26 174.64 2kg2 n GLU 103 N -2.07 0.00 -3.25 1.61 0.28 -1.26 -4.96 120.64 110.99 2kg2 n GLU 103 Ca 0.12 0.00 -0.42 0.00 -0.16 0.00 0.00 57.16 56.70 2kg2 n GLU 103 Cb 0.61 -0.10 -0.08 0.00 1.43 0.00 0.00 31.44 33.30 2kg2 n GLU 103 CO 0.00 0.00 0.00 0.08 -0.16 0.00 0.00 177.13 177.05 2kg2 s VAL 104 N -1.77 5.01 -0.13 3.84 1.01 -1.26 -2.30 120.40 124.80 2kg2 s VAL 104 Ca 0.00 0.06 -0.02 0.00 0.00 0.00 0.00 61.98 62.02 2kg2 s VAL 104 Cb 0.00 -4.02 -0.03 0.00 0.00 0.00 0.00 36.38 32.33 2kg2 s VAL 104 CO 0.00 -0.35 -0.06 0.68 0.00 0.00 0.00 175.10 175.37 2kg2 s VAL 105 N 2.37 3.67 -0.44 2.92 -7.23 -0.25 -4.95 120.40 116.49 2kg2 s VAL 105 Ca 0.17 -0.45 -0.15 0.00 -1.81 0.00 0.00 61.98 59.74 2kg2 s VAL 105 Cb -0.16 -2.58 0.05 0.00 0.56 0.00 0.00 36.38 34.25 2kg2 s VAL 105 CO 0.14 0.52 0.36 -0.13 -0.31 0.00 0.00 175.10 175.68 2kg2 s ARG 106 N 0.13 2.98 0.11 4.82 0.52 -1.26 -1.68 118.95 124.58 2kg2 s ARG 106 Ca -0.03 -1.18 0.05 0.00 -0.52 0.00 0.00 55.73 54.06 2kg2 s ARG 106 Cb -0.14 -4.06 -0.04 0.00 0.52 0.00 0.00 34.95 31.23 2kg2 s ARG 106 CO 0.03 -0.90 0.02 -0.51 0.02 0.00 0.00 175.30 173.96 2kg2 s LEU 107 N 1.69 3.49 -0.18 2.53 1.43 0.48 0.04 118.68 128.17 2kg2 s LEU 107 Ca 0.05 -0.20 0.01 0.00 -1.03 0.00 0.00 54.13 52.95 2kg2 s LEU 107 Cb -0.22 -2.19 0.03 0.00 0.03 0.00 0.00 46.19 43.84 2kg2 s LEU 107 CO 0.08 0.15 -0.16 -0.76 0.23 0.00 0.00 176.35 175.89 2kg2 s LEU 108 N -2.52 2.06 0.35 1.79 1.02 0.12 0.47 118.68 121.96 2kg2 s LEU 108 Ca 0.27 -0.67 0.09 0.00 0.02 0.00 0.00 54.13 53.84 2kg2 s LEU 108 Cb -0.11 -1.33 -0.06 0.00 0.02 0.00 0.00 46.19 44.71 2kg2 s LEU 108 CO 0.19 -0.05 -0.03 0.68 0.02 0.00 0.00 176.35 177.16 2kg2 s VAL 109 N 1.37 2.42 -0.16 -1.59 -7.23 0.64 -0.09 120.40 115.77 2kg2 s VAL 109 Ca 0.03 -2.06 0.01 0.00 -1.81 0.00 0.00 61.98 58.15 2kg2 s VAL 109 Cb -0.14 -2.75 0.00 0.00 0.56 0.00 0.00 36.38 34.05 2kg2 s VAL 109 CO -0.11 -0.18 -0.17 0.42 -0.31 0.00 0.00 175.10 174.75 2kg2 s THR 110 N -2.57 2.44 -0.11 5.32 -4.23 -0.16 -0.21 115.64 116.13 2kg2 s THR 110 Ca 0.34 -0.84 -0.29 0.00 -1.18 0.00 0.00 61.69 59.72 2kg2 s THR 110 Cb 0.02 -2.02 -0.01 0.00 1.34 0.00 0.00 72.50 71.82 2kg2 s THR 110 CO 0.18 0.52 0.96 -0.13 -0.54 0.00 0.00 174.62 175.62 2kg2 s ARG 111 N 0.90 4.41 0.04 3.99 1.81 0.95 -3.20 118.95 127.84 2kg2 s ARG 111 Ca -0.04 1.31 0.23 0.00 -1.72 0.00 0.00 55.73 55.51 2kg2 s ARG 111 Cb -0.15 -3.54 0.17 0.00 -0.45 0.00 0.00 34.95 30.98 2kg2 s ARG 111 CO -0.02 -0.28 1.15 1.04 -0.68 0.00 0.00 175.30 176.50 2kg2 n GLN 112 N 4.91 0.18 -1.79 3.54 1.13 -1.26 -2.47 117.38 121.62 2kg2 n GLN 112 Ca 0.07 0.01 -0.19 0.00 -1.94 0.00 0.00 57.00 54.95 2kg2 n GLN 112 Cb 0.49 -1.57 -0.06 0.00 0.11 0.00 0.00 30.24 29.21 2kg2 n GLN 112 CO 0.00 0.00 0.00 0.45 -1.44 0.00 0.00 177.06 176.07 2kg2 n SER 113 N -1.81 -5.40 0.00 1.08 2.88 -1.26 -3.94 113.62 105.16 2kg2 n SER 113 Ca 0.03 0.34 0.00 0.00 -1.33 0.00 0.00 58.87 57.91 2kg2 n SER 113 Cb 0.40 -4.56 0.00 0.00 -0.75 0.00 0.00 64.21 59.29 2kg2 n SER 113 CO 0.00 0.00 0.00 0.18 -1.23 0.00 0.00 175.04 173.99 2kg2 n LEU 114 N -2.37 0.00 -4.31 2.46 4.77 -1.26 -4.71 117.00 111.58 2kg2 n LEU 114 Ca -0.20 0.00 -0.32 0.00 -0.03 0.00 0.00 56.01 55.46 2kg2 n LEU 114 Cb 0.65 0.00 -0.16 0.00 -2.33 0.00 0.00 43.42 41.58 2kg2 n LEU 114 CO 0.29 0.00 -0.55 -1.10 -1.33 0.00 0.00 177.39 174.70 2kg2 s GLN 115 N 0.00 2.43 0.00 3.23 -0.21 -1.25 -5.01 119.66 118.85 2kg2 s GLN 115 Ca 0.00 -0.88 0.28 0.00 0.02 0.00 0.00 55.36 54.78 2kg2 s GLN 115 Cb 0.00 -2.17 1.00 0.00 1.00 0.00 0.00 33.01 32.84 2kg2 s GLN 115 CO 0.00 0.46 1.72 1.63 -2.12 0.00 0.00 175.29 176.98 2kg2 n LYS 116 N 2.72 0.79 -4.71 2.91 4.76 -1.26 -4.80 118.16 118.57 2kg2 n LYS 116 Ca -0.17 -0.38 -0.24 0.00 -2.87 0.00 0.00 58.31 54.65 2kg2 n LYS 116 Cb 0.52 -1.49 -0.16 0.00 -1.84 0.00 0.00 35.03 32.06 2kg2 n LYS 116 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 2kg2 s ALA 117 N -2.47 1.33 -0.33 7.82 0.00 -1.26 -4.87 121.76 121.98 2kg2 s ALA 117 Ca 0.27 -0.60 0.16 0.00 0.00 0.00 0.00 51.96 51.79 2kg2 s ALA 117 Cb 0.20 -0.44 0.44 0.00 0.00 0.00 0.00 23.12 23.32 2kg2 s ALA 117 CO 0.49 0.25 1.28 1.33 0.00 0.00 0.00 175.76 179.11 2kg2 n VAL 118 N 3.14 0.51 -2.14 0.00 0.24 -1.26 -5.05 118.33 113.77 2kg2 n VAL 118 Ca -0.18 -2.00 -0.42 0.00 -2.04 0.00 0.00 64.34 59.70 2kg2 n VAL 118 Cb 0.53 1.02 0.00 0.00 -1.47 0.00 0.00 33.84 33.92 2kg2 n VAL 118 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 2kg2 n GLN 119 N -0.81 3.03 -0.15 7.34 3.00 -1.26 -3.93 117.38 124.60 2kg2 n GLN 119 Ca -0.03 -2.94 0.00 0.00 -0.01 0.00 0.00 57.00 54.02 2kg2 n GLN 119 Cb 0.84 -3.38 0.00 0.00 0.00 0.00 0.00 30.24 27.70 2kg2 n GLN 119 CO 0.00 0.00 0.00 0.94 0.00 0.00 0.00 177.06 178.00 2kg2 n GLN 120 N 7.12 0.08 -3.92 -1.09 -0.06 -1.26 -5.01 117.38 113.24 2kg2 n GLN 120 Ca 0.50 -0.69 -0.30 0.00 -2.00 0.00 0.00 57.00 54.51 2kg2 n GLN 120 Cb 0.42 -0.52 -0.15 0.00 -4.06 0.00 0.00 30.24 25.93 2kg2 n GLN 120 CO 0.00 0.00 0.00 0.45 -0.20 0.00 0.00 177.06 177.31 2kg2 s SER 121 N -0.34 4.15 -0.05 1.69 0.15 -1.25 -4.98 113.70 113.07 2kg2 s SER 121 Ca 0.00 -1.54 -0.14 0.00 0.70 0.00 0.00 55.95 54.98 2kg2 s SER 121 Cb 0.00 -1.25 -0.08 0.00 -1.71 0.00 0.00 66.02 62.98 2kg2 s SER 121 CO 0.00 -0.31 0.56 0.24 1.20 0.00 0.00 173.24 174.93 2kg2 h MET 122 N 7.88 -0.38 0.00 5.44 2.86 -1.95 -3.44 114.93 125.34 2kg2 h MET 122 Ca -0.13 0.03 0.00 0.00 -2.06 0.00 0.00 59.70 57.53 2kg2 h MET 122 Cb 1.04 0.09 0.00 0.00 0.06 0.00 0.00 31.60 32.79 2kg2 h MET 122 CO 0.45 -0.19 -0.35 1.47 1.06 0.00 0.00 176.91 179.36 2kg2 n LEU 123 N -5.04 0.62 0.00 1.22 -0.00 -1.26 -5.24 117.00 107.30 2kg2 n LEU 123 Ca -0.06 0.00 0.00 0.00 -0.00 0.00 0.00 56.01 55.95 2kg2 n LEU 123 Cb 0.19 0.00 0.00 0.00 -0.00 0.00 0.00 43.42 43.61 2kg2 n LEU 123 CO 0.15 0.10 0.00 -1.20 -0.00 0.00 0.00 177.39 176.44