#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 0.05 0.00 1.61 0.15 -1.26 -5.02 113.70 109.23 2kg2 s SER 2 Ca 0.00 -0.76 0.24 0.00 0.70 0.00 0.00 55.95 56.13 2kg2 s SER 2 Cb 0.00 0.41 0.16 0.00 -1.71 0.00 0.00 66.02 64.88 2kg2 s SER 2 CO 0.00 -0.84 1.21 0.00 1.20 0.00 0.00 173.24 174.81 2kg2 n TYR 3 N -0.17 0.00 -3.13 3.44 0.18 -1.26 -5.05 117.16 111.18 2kg2 n TYR 3 Ca -0.10 0.00 -0.00 0.00 1.88 0.00 0.00 57.90 59.68 2kg2 n TYR 3 Cb 0.63 -0.01 -0.00 0.00 -0.38 0.00 0.00 39.34 39.58 2kg2 n TYR 3 CO 0.00 0.00 0.00 1.51 -2.08 0.00 0.00 176.86 176.29 2kg2 n ILE 4 N 0.55 -3.00 -1.10 -3.48 3.06 -1.26 -5.01 119.36 109.12 2kg2 n ILE 4 Ca 0.12 0.62 -0.11 0.00 -2.50 0.00 0.00 62.75 60.88 2kg2 n ILE 4 Cb 0.51 -3.38 0.08 0.00 0.54 0.00 0.00 39.64 37.40 2kg2 n ILE 4 CO 0.00 0.00 0.00 -0.81 -2.50 0.00 0.00 176.55 173.24 2kg2 n PRO 5 N 1.31 -1.02 -1.82 9.51 -0.04 -1.26 -4.95 135.00 136.73 2kg2 n PRO 5 Ca -0.00 -0.74 -0.38 0.00 -0.04 0.00 0.00 63.50 62.34 2kg2 n PRO 5 Cb 0.42 -0.56 0.05 0.00 -0.04 0.00 0.00 33.50 33.37 2kg2 n PRO 5 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 2kg2 n GLY 6 N 0.92 5.64 3.70 0.55 0.00 -1.26 -4.97 105.19 109.77 2kg2 n GLY 6 Ca 0.06 -2.46 -0.41 0.00 0.00 0.00 0.00 46.02 43.21 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 -3.99 4.41 0.00 1.61 0.74 -1.26 -4.96 119.66 116.21 2kg2 s GLN 7 Ca 0.55 1.00 0.00 0.00 0.05 0.00 0.00 55.36 56.96 2kg2 s GLN 7 Cb 0.45 -3.49 0.00 0.00 1.10 0.00 0.00 33.01 31.07 2kg2 s GLN 7 CO -0.31 -0.08 0.00 -0.35 -0.55 0.00 0.00 175.29 174.00 2kg2 n PRO 8 N 4.26 0.00 0.00 1.67 -0.04 -1.26 -5.03 135.00 134.59 2kg2 n PRO 8 Ca 0.02 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.48 2kg2 n PRO 8 Cb 0.50 -0.10 0.00 0.00 -0.04 0.00 0.00 33.50 33.87 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 -0.11 0.00 -0.05 0.52 0.24 -1.26 -4.95 118.33 112.73 2kg2 n VAL 9 Ca 0.00 0.00 -0.07 0.00 -2.04 0.00 0.00 64.34 62.23 2kg2 n VAL 9 Cb 0.00 -0.35 -0.14 0.00 -1.47 0.00 0.00 33.84 31.88 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 -2.22 1.42 -2.58 3.34 5.66 -1.26 -4.86 114.28 113.79 2kg2 n THR 10 Ca 0.00 -0.80 -0.41 0.00 -3.05 0.00 0.00 64.05 59.79 2kg2 n THR 10 Cb 0.00 -0.75 -0.04 0.00 -1.55 0.00 0.00 70.33 67.99 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 -2.62 3.33 -0.23 1.79 0.00 -1.26 -4.61 121.76 118.15 2kg2 s ALA 11 Ca -0.07 0.74 -0.07 0.00 0.00 0.00 0.00 51.96 52.56 2kg2 s ALA 11 Cb 0.07 -3.33 -0.03 0.00 0.00 0.00 0.00 23.12 19.83 2kg2 s ALA 11 CO 0.83 -0.16 0.07 0.08 0.00 0.00 0.00 175.76 176.58 2kg2 s VAL 12 N -0.08 4.45 -0.19 0.00 1.01 -1.25 -4.32 120.40 120.03 2kg2 s VAL 12 Ca 0.49 -0.13 -0.05 0.00 0.00 0.00 0.00 61.98 62.30 2kg2 s VAL 12 Cb -0.27 -3.07 -0.02 0.00 0.00 0.00 0.00 36.38 33.02 2kg2 s VAL 12 CO 0.33 0.36 -0.01 -0.69 0.00 0.00 0.00 175.10 175.09 2kg2 s VAL 13 N 1.32 3.92 0.03 2.92 1.01 -1.26 -0.22 120.40 128.11 2kg2 s VAL 13 Ca 0.05 -0.33 0.00 0.00 0.00 0.00 0.00 61.98 61.70 2kg2 s VAL 13 Cb -0.15 -2.76 -0.02 0.00 0.00 0.00 0.00 36.38 33.45 2kg2 s VAL 13 CO 0.04 0.45 -0.04 0.00 0.00 0.00 0.00 175.10 175.55 2kg2 s GLN 14 N 0.83 0.38 0.25 2.72 1.03 0.40 -4.98 119.66 120.29 2kg2 s GLN 14 Ca 0.00 -0.70 -0.12 0.00 0.04 0.00 0.00 55.36 54.58 2kg2 s GLN 14 Cb -0.14 0.06 -0.08 0.00 0.03 0.00 0.00 33.01 32.88 2kg2 s GLN 14 CO 0.02 -0.04 0.61 -0.98 -2.54 0.00 0.00 175.29 172.36 2kg2 s ARG 15 N -1.76 3.89 0.15 9.60 1.04 -1.26 -0.52 118.95 130.09 2kg2 s ARG 15 Ca -0.12 0.43 0.06 0.00 -1.04 0.00 0.00 55.73 55.05 2kg2 s ARG 15 Cb -0.08 -2.60 -0.04 0.00 -2.04 0.00 0.00 34.95 30.19 2kg2 s ARG 15 CO -0.02 0.28 -0.13 0.08 -0.04 0.00 0.00 175.30 175.47 2kg2 s VAL 16 N -1.84 1.35 -0.22 4.99 1.01 0.18 -4.88 120.40 120.99 2kg2 s VAL 16 Ca 0.49 -1.95 -0.03 0.00 0.00 0.00 0.00 61.98 60.49 2kg2 s VAL 16 Cb -0.11 -1.75 0.10 0.00 0.00 0.00 0.00 36.38 34.61 2kg2 s VAL 16 CO 0.20 -0.58 0.22 -0.70 0.00 0.00 0.00 175.10 174.24 2kg2 s GLU 17 N -3.27 0.21 -0.15 2.72 2.12 -1.26 -0.32 118.70 118.74 2kg2 s GLU 17 Ca 0.15 0.09 -0.12 0.00 0.36 0.00 0.00 54.97 55.45 2kg2 s GLU 17 Cb -0.01 -1.15 -0.05 0.00 0.26 0.00 0.00 34.13 33.18 2kg2 s GLU 17 CO 0.03 -0.74 0.24 0.42 -0.54 0.00 0.00 175.26 174.67 2kg2 s ILE 18 N 2.31 5.34 0.14 -3.70 1.09 -0.94 -4.54 121.20 120.90 2kg2 s ILE 18 Ca 0.07 0.43 -0.00 0.00 -1.10 0.00 0.00 60.65 60.05 2kg2 s ILE 18 Cb -0.15 -3.56 -0.04 0.00 -1.06 0.00 0.00 42.46 37.64 2kg2 s ILE 18 CO -0.17 0.45 0.31 -1.00 -0.10 0.00 0.00 174.94 174.43 2kg2 s HIS 19 N 0.12 3.49 -0.48 3.97 3.76 -1.26 -1.52 115.29 123.37 2kg2 s HIS 19 Ca 0.15 0.28 -0.44 0.00 -0.15 0.00 0.00 55.06 54.90 2kg2 s HIS 19 Cb -0.13 -1.80 -0.19 0.00 1.11 0.00 0.00 32.58 31.58 2kg2 s HIS 19 CO 0.03 0.49 1.98 1.17 -0.85 0.00 0.00 174.74 177.55 2kg2 n LYS 20 N -0.24 0.11 -4.71 1.40 4.81 -1.26 -4.76 118.16 113.50 2kg2 n LYS 20 Ca -0.05 0.03 -0.24 0.00 -0.87 0.00 0.00 58.31 57.18 2kg2 n LYS 20 Cb 0.53 -1.58 -0.16 0.00 0.02 0.00 0.00 35.03 33.84 2kg2 n LYS 20 CO 0.00 0.00 0.00 -1.17 1.17 0.00 0.00 177.40 177.40 2kg2 s LEU 21 N 5.15 1.94 -0.17 3.14 2.96 -1.25 -5.07 118.68 125.39 2kg2 s LEU 21 Ca 1.14 -0.29 -0.06 0.00 -0.22 0.00 0.00 54.13 54.70 2kg2 s LEU 21 Cb -1.45 -0.83 -0.04 0.00 0.50 0.00 0.00 46.19 44.38 2kg2 s LEU 21 CO 0.69 0.15 0.05 -0.13 -1.32 0.00 0.00 176.35 175.79 2kg2 s ARG 22 N -0.11 3.81 -0.27 1.98 0.52 -1.26 -1.05 118.95 122.57 2kg2 s ARG 22 Ca 0.01 -0.36 0.02 0.00 -0.52 0.00 0.00 55.73 54.87 2kg2 s ARG 22 Cb -0.09 -3.13 0.07 0.00 0.52 0.00 0.00 34.95 32.33 2kg2 s ARG 22 CO 0.01 0.34 -0.05 -0.65 0.02 0.00 0.00 175.30 174.97 2kg2 s GLN 23 N 0.17 1.80 6.71 3.54 -1.52 -0.62 -4.92 119.66 124.82 2kg2 s GLN 23 Ca 0.04 -1.33 0.00 0.00 -1.95 0.00 0.00 55.36 52.11 2kg2 s GLN 23 Cb -0.12 -2.81 0.00 0.00 -0.22 0.00 0.00 33.01 29.85 2kg2 s GLN 23 CO 0.01 -0.68 0.00 0.41 -0.25 0.00 0.00 175.29 174.78 2kg2 n GLY 24 N 4.49 2.17 1.00 3.09 0.00 -1.26 -1.23 105.19 113.44 2kg2 n GLY 24 Ca -0.09 0.02 0.08 0.00 0.00 0.00 0.00 46.02 46.02 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 4.65 3.19 -4.72 1.61 1.02 -1.26 -4.98 120.64 120.15 2kg2 n GLU 25 Ca 0.00 -2.68 -0.32 0.00 -0.02 0.00 0.00 57.16 54.14 2kg2 n GLU 25 Cb 0.00 -1.75 -0.08 0.00 -0.02 0.00 0.00 31.44 29.59 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 -1.49 3.99 -0.20 1.62 0.01 -0.37 -5.10 114.94 113.40 2kg2 s ASN 26 Ca 0.40 -1.60 -0.00 0.00 -0.71 0.00 0.00 52.86 50.94 2kg2 s ASN 26 Cb 0.29 0.34 0.05 0.00 0.41 0.00 0.00 41.25 42.35 2kg2 s ASN 26 CO 0.13 -0.78 -0.04 -0.22 -1.51 0.00 0.00 177.10 174.68 2kg2 s LEU 27 N -3.83 2.01 0.16 0.60 1.98 -1.26 -1.60 118.68 116.75 2kg2 s LEU 27 Ca 0.12 -0.93 0.06 0.00 -2.89 0.00 0.00 54.13 50.50 2kg2 s LEU 27 Cb 0.03 -1.00 -0.04 0.00 0.66 0.00 0.00 46.19 45.84 2kg2 s LEU 27 CO 0.06 -0.22 -0.13 -0.63 -1.89 0.00 0.00 176.35 173.55 2kg2 s ILE 28 N 1.55 1.42 -2.00 6.68 1.01 -0.21 -4.23 121.20 125.42 2kg2 s ILE 28 Ca -0.03 -2.06 0.23 0.00 0.00 0.00 0.00 60.65 58.80 2kg2 s ILE 28 Cb -0.17 -1.87 0.65 0.00 0.01 0.00 0.00 42.46 41.08 2kg2 s ILE 28 CO -0.07 -0.63 1.87 0.18 0.00 0.00 0.00 174.94 176.29 2kg2 n LEU 29 N -0.13 0.00 0.00 2.97 4.77 -1.19 -3.74 117.00 119.68 2kg2 n LEU 29 Ca -0.10 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 55.88 2kg2 n LEU 29 Cb 0.60 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.69 2kg2 n LEU 29 CO 0.32 0.00 0.00 0.61 -1.33 0.00 0.00 177.39 176.99 2kg2 n GLY 30 N 0.83 2.89 3.99 -0.72 0.00 -1.26 -3.58 105.19 107.34 2kg2 n GLY 30 Ca 0.17 -0.40 -0.19 0.00 0.00 0.00 0.00 46.02 45.60 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 -1.69 2.99 0.32 1.61 -0.71 -1.26 -2.59 117.98 116.64 2kg2 s PHE 31 Ca 0.00 -0.22 0.09 0.00 -1.04 0.00 0.00 56.93 55.76 2kg2 s PHE 31 Cb 0.00 -2.23 -0.06 0.00 -1.21 0.00 0.00 43.02 39.52 2kg2 s PHE 31 CO 0.00 -0.27 -0.10 -1.12 -1.34 0.00 0.00 175.22 172.39 2kg2 s SER 32 N -4.26 3.46 0.27 1.98 0.01 0.12 -4.91 113.70 110.37 2kg2 s SER 32 Ca 0.50 -1.17 0.08 0.00 1.31 0.00 0.00 55.95 56.67 2kg2 s SER 32 Cb -0.10 -0.30 -0.06 0.00 0.21 0.00 0.00 66.02 65.78 2kg2 s SER 32 CO 0.33 -0.20 -0.10 0.27 0.41 0.00 0.00 173.24 173.95 2kg2 s ILE 33 N -2.70 1.86 -0.07 1.44 -4.36 -1.26 -0.81 121.20 115.30 2kg2 s ILE 33 Ca 0.31 -2.19 0.13 0.00 -0.26 0.00 0.00 60.65 58.64 2kg2 s ILE 33 Cb 0.02 -2.37 -0.19 0.00 1.25 0.00 0.00 42.46 41.17 2kg2 s ILE 33 CO 0.15 -0.37 0.19 0.61 0.24 0.00 0.00 174.94 175.77 2kg2 n GLY 34 N -0.57 -0.64 0.00 6.27 0.00 0.98 -4.55 105.19 106.68 2kg2 n GLY 34 Ca -0.06 -0.28 0.00 0.00 0.00 0.00 0.00 46.02 45.68 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 1.92 2.90 0.00 -0.02 0.00 -1.26 -4.92 105.19 103.81 2kg2 n GLY 35 Ca -0.11 -2.01 0.00 0.00 0.00 0.00 0.00 46.02 43.91 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 -1.24 1.40 0.28 -0.02 0.00 -1.24 -3.25 105.19 101.12 2kg2 n GLY 36 Ca 0.00 0.00 0.18 0.00 0.00 0.00 0.00 46.02 46.20 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 -1.82 -1.81 117.51 110.62 2kg2 h ILE 37 Ca 0.00 -0.35 0.00 0.00 1.03 0.00 0.00 64.86 65.54 2kg2 h ILE 37 Cb 0.00 1.31 0.00 0.00 -2.05 0.00 0.00 36.82 36.08 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 -4.58 2.16 3.58 -1.93 -3.44 116.42 112.21 2kg2 h ASP 38 Ca 0.00 0.00 -0.19 0.00 0.42 0.00 0.00 57.03 57.26 2kg2 h ASP 38 Cb 0.35 0.00 0.02 0.00 1.72 0.00 0.00 39.33 41.43 2kg2 h ASP 38 CO 0.00 0.00 0.01 0.00 -2.88 0.00 0.00 179.24 176.37 2kg2 n GLN 39 N -2.61 0.57 -4.05 0.28 1.13 -0.68 -5.05 117.38 106.97 2kg2 n GLN 39 Ca 0.02 -1.17 -0.23 0.00 -1.94 0.00 0.00 57.00 53.68 2kg2 n GLN 39 Cb 0.29 -0.19 -0.17 0.00 0.11 0.00 0.00 30.24 30.29 2kg2 n GLN 39 CO 0.00 0.00 0.00 0.34 -1.44 0.00 0.00 177.06 175.96 2kg2 s ASP 40 N -2.55 1.49 0.57 1.08 -1.08 -1.26 -5.00 116.67 109.92 2kg2 s ASP 40 Ca 0.26 -0.17 0.27 0.00 -0.52 0.00 0.00 52.55 52.38 2kg2 s ASP 40 Cb -0.02 -0.58 1.60 0.00 -1.46 0.00 0.00 42.92 42.47 2kg2 s ASP 40 CO 0.17 -0.10 2.13 1.55 0.52 0.00 0.00 175.17 179.44 2kg2 h PRO 41 N 7.68 0.00 -0.12 4.34 0.13 -1.89 0.25 132.00 142.40 2kg2 h PRO 41 Ca -0.30 0.00 -0.11 0.00 -0.87 0.00 0.00 66.00 64.72 2kg2 h PRO 41 Cb 1.14 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.26 2kg2 h PRO 41 CO 0.40 0.00 -0.40 0.77 -0.23 0.00 0.00 178.00 178.54 2kg2 h SER 42 N 0.00 0.27 -0.23 1.44 0.02 -1.89 -3.07 113.55 110.09 2kg2 h SER 42 Ca 0.08 -0.11 0.00 0.00 -0.84 0.00 0.00 61.79 60.91 2kg2 h SER 42 Cb 0.38 -0.08 0.00 0.00 0.14 0.00 0.00 62.40 62.85 2kg2 h SER 42 CO -0.00 0.65 0.00 0.00 -1.14 0.00 0.00 176.83 176.34 2kg2 n GLN 43 N -4.03 2.50 -4.20 3.45 10.64 -0.35 -4.98 117.38 120.40 2kg2 n GLN 43 Ca -0.01 -1.80 -0.34 0.00 -1.83 0.00 0.00 57.00 53.02 2kg2 n GLN 43 Cb 0.48 -1.20 -0.08 0.00 -0.86 0.00 0.00 30.24 28.57 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 -0.96 5.54 -0.00 2.61 0.02 -0.07 -4.93 114.94 117.15 2kg2 s ASN 44 Ca 0.17 0.18 -0.25 0.00 -1.02 0.00 0.00 52.86 51.94 2kg2 s ASN 44 Cb 0.09 -1.60 -0.18 0.00 0.02 0.00 0.00 41.25 39.58 2kg2 s ASN 44 CO 0.12 0.34 1.30 1.55 0.02 0.00 0.00 177.10 180.43 2kg2 h PRO 45 N 4.71 -0.13 -0.46 -0.60 0.13 -1.90 -3.16 132.00 130.59 2kg2 h PRO 45 Ca -0.51 0.01 -0.18 0.00 -0.87 0.00 0.00 66.00 64.45 2kg2 h PRO 45 Cb 1.19 0.03 -0.11 0.00 0.13 0.00 0.00 31.00 32.24 2kg2 h PRO 45 CO 0.58 0.25 0.08 1.19 -0.23 0.00 0.00 178.00 179.87 2kg2 n PHE 46 N -4.97 1.48 -0.07 1.56 3.72 -1.26 -3.98 117.46 113.94 2kg2 n PHE 46 Ca -0.09 -1.40 0.00 0.00 -0.05 0.00 0.00 57.45 55.92 2kg2 n PHE 46 Cb 0.23 -0.53 0.00 0.00 -0.94 0.00 0.00 39.48 38.23 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 -0.85 0.25 0.00 4.37 2.88 -1.24 -4.74 113.62 114.30 2kg2 n SER 47 Ca 0.35 -0.59 0.12 0.00 -1.33 0.00 0.00 58.87 57.42 2kg2 n SER 47 Cb 1.13 0.53 0.65 0.00 -0.75 0.00 0.00 64.21 65.77 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 -0.53 0.42 -0.17 -1.46 0.28 -1.20 -3.47 120.64 114.52 2kg2 n GLU 48 Ca 0.00 0.04 -0.05 0.00 -0.16 0.00 0.00 57.16 57.00 2kg2 n GLU 48 Cb 0.02 -1.50 0.02 0.00 1.43 0.00 0.00 31.44 31.40 2kg2 n GLU 48 CO 0.00 0.00 0.00 -0.44 -0.16 0.00 0.00 177.13 176.53 2kg2 h ASP 49 N 0.00 -0.89 0.00 -1.84 5.19 -1.86 -3.45 116.42 113.56 2kg2 h ASP 49 Ca 0.00 0.19 0.00 0.00 -0.62 0.00 0.00 57.03 56.60 2kg2 h ASP 49 Cb 0.21 0.47 0.00 0.00 0.18 0.00 0.00 39.33 40.18 2kg2 h ASP 49 CO 0.00 -0.27 0.00 0.29 -3.12 0.00 0.00 179.24 176.14 2kg2 n LYS 50 N -5.42 0.00 -0.92 3.56 5.02 -1.23 -4.98 118.16 114.20 2kg2 n LYS 50 Ca 0.04 0.00 0.03 0.00 -2.02 0.00 0.00 58.31 56.35 2kg2 n LYS 50 Cb 0.33 0.00 0.36 0.00 -0.02 0.00 0.00 35.03 35.71 2kg2 n LYS 50 CO 0.00 0.00 0.00 0.25 -0.52 0.00 0.00 177.40 177.13 2kg2 n THR 51 N 0.00 2.76 -2.26 -0.18 -2.24 -1.26 -4.85 114.28 106.25 2kg2 n THR 51 Ca 0.00 -1.43 -0.42 0.00 -2.27 0.00 0.00 64.05 59.93 2kg2 n THR 51 Cb 0.00 -0.32 -0.03 0.00 -2.10 0.00 0.00 70.33 67.89 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 -0.82 6.03 0.43 3.42 2.15 -1.26 -4.87 116.67 121.76 2kg2 s ASP 52 Ca 0.53 0.65 0.07 0.00 0.43 0.00 0.00 52.55 54.23 2kg2 s ASP 52 Cb 0.41 -2.54 -0.03 0.00 -0.30 0.00 0.00 42.92 40.47 2kg2 s ASP 52 CO 0.15 -1.71 0.30 -0.54 -0.17 0.00 0.00 175.17 173.20 2kg2 s LYS 53 N 5.57 2.38 0.00 4.34 1.02 -1.26 -4.66 119.74 127.12 2kg2 s LYS 53 Ca 0.62 -1.72 0.00 0.00 0.02 0.00 0.00 55.97 54.89 2kg2 s LYS 53 Cb -0.14 -2.19 0.00 0.00 -0.52 0.00 0.00 37.83 34.98 2kg2 s LYS 53 CO 0.28 -0.21 0.00 0.41 -0.92 0.00 0.00 175.35 174.91 2kg2 n GLY 54 N -1.45 3.26 3.64 -3.33 0.00 -1.26 -4.84 105.19 101.21 2kg2 n GLY 54 Ca 0.01 -1.52 -0.43 0.00 0.00 0.00 0.00 46.02 44.08 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 4.03 0.14 -0.61 -1.09 -1.20 -3.68 121.20 116.79 2kg2 s ILE 55 Ca 0.00 1.18 0.09 0.00 -2.23 0.00 0.00 60.65 59.68 2kg2 s ILE 55 Cb 0.00 -4.00 -0.04 0.00 -1.58 0.00 0.00 42.46 36.84 2kg2 s ILE 55 CO 0.00 -0.37 -0.13 -0.72 -1.23 0.00 0.00 174.94 172.49 2kg2 s TYR 56 N 4.45 2.61 -0.05 3.97 -0.85 -1.20 -0.69 117.35 125.59 2kg2 s TYR 56 Ca 0.60 -0.22 -0.27 0.00 -0.52 0.00 0.00 57.07 56.66 2kg2 s TYR 56 Cb -0.20 -1.34 -0.03 0.00 0.38 0.00 0.00 41.96 40.77 2kg2 s TYR 56 CO 0.24 0.45 0.87 0.08 -1.52 0.00 0.00 175.55 175.66 2kg2 s VAL 57 N -1.38 4.92 -0.34 -3.49 1.01 -0.37 -0.01 120.40 120.74 2kg2 s VAL 57 Ca 0.21 1.80 0.14 0.00 0.00 0.00 0.00 61.98 64.13 2kg2 s VAL 57 Cb -0.10 -4.20 -0.19 0.00 0.00 0.00 0.00 36.38 31.89 2kg2 s VAL 57 CO 0.13 0.16 0.46 0.35 0.00 0.00 0.00 175.10 176.20 2kg2 n THR 58 N 4.02 0.00 -3.71 3.92 -2.24 0.01 -0.37 114.28 115.91 2kg2 n THR 58 Ca 0.04 -0.25 -0.14 0.00 -2.27 0.00 0.00 64.05 61.43 2kg2 n THR 58 Cb 0.51 0.58 -0.09 0.00 -2.10 0.00 0.00 70.33 69.23 2kg2 n THR 58 CO 0.00 0.00 0.00 -0.60 -0.57 0.00 0.00 175.07 173.90 2kg2 s ARG 59 N -2.68 0.65 0.05 -0.78 3.52 -1.19 -4.89 118.95 113.62 2kg2 s ARG 59 Ca -0.00 0.24 0.03 0.00 -0.13 0.00 0.00 55.73 55.88 2kg2 s ARG 59 Cb 0.10 0.30 -0.02 0.00 -1.56 0.00 0.00 34.95 33.77 2kg2 s ARG 59 CO 0.59 -0.15 -0.10 0.08 -0.81 0.00 0.00 175.30 174.92 2kg2 s VAL 60 N -0.58 0.76 0.09 7.11 1.01 -1.26 0.15 120.40 127.69 2kg2 s VAL 60 Ca -0.07 -1.07 -0.35 0.00 0.00 0.00 0.00 61.98 60.49 2kg2 s VAL 60 Cb -0.03 -0.77 -0.15 0.00 0.00 0.00 0.00 36.38 35.43 2kg2 s VAL 60 CO 0.03 -0.25 1.55 -1.54 0.00 0.00 0.00 175.10 174.89 2kg2 n SER 61 N 1.58 2.68 0.10 3.32 3.41 -1.07 -4.86 113.62 118.78 2kg2 n SER 61 Ca -0.21 1.08 0.11 0.00 -0.26 0.00 0.00 58.87 59.59 2kg2 n SER 61 Cb 0.55 -1.34 0.45 0.00 -0.26 0.00 0.00 64.21 63.61 2kg2 n SER 61 CO 0.00 0.00 0.00 -1.84 -0.16 0.00 0.00 175.04 173.04 2kg2 n GLU 62 N 3.58 0.16 -2.45 4.33 0.28 -1.26 -3.85 120.64 121.42 2kg2 n GLU 62 Ca 0.18 0.34 -0.02 0.00 -0.16 0.00 0.00 57.16 57.50 2kg2 n GLU 62 Cb 0.25 -1.78 0.10 0.00 1.43 0.00 0.00 31.44 31.44 2kg2 n GLU 62 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 177.13 177.38 2kg2 n GLY 63 N 0.26 1.29 0.00 -1.84 0.00 -1.26 -5.06 105.19 98.58 2kg2 n GLY 63 Ca 0.03 -0.13 0.00 0.00 0.00 0.00 0.00 46.02 45.92 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 -1.11 4.38 0.24 -0.02 0.00 -1.25 -5.00 105.19 102.43 2kg2 n GLY 64 Ca -0.13 -2.19 0.02 0.00 0.00 0.00 0.00 46.02 43.72 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 0.27 0.66 1.61 0.13 -1.86 -1.54 132.00 131.26 2kg2 h PRO 65 Ca 0.00 -0.06 -0.03 0.00 -0.87 0.00 0.00 66.00 65.04 2kg2 h PRO 65 Cb 0.00 -0.04 0.00 0.00 0.13 0.00 0.00 31.00 31.09 2kg2 h PRO 65 CO 0.00 0.39 -0.36 0.00 -0.23 0.00 0.00 178.00 177.80 2kg2 h ALA 66 N 1.64 -0.95 0.00 -0.56 0.00 -1.89 0.94 119.26 118.43 2kg2 h ALA 66 Ca 0.05 -0.20 -0.07 0.00 0.00 0.00 0.00 54.91 54.69 2kg2 h ALA 66 Cb 0.36 0.42 -0.01 0.00 0.00 0.00 0.00 17.79 18.56 2kg2 h ALA 66 CO 0.02 -1.04 -0.35 1.05 0.00 0.00 0.00 179.25 178.92 2kg2 h GLU 67 N -0.94 0.00 -0.76 0.00 4.11 -1.60 0.34 114.58 115.73 2kg2 h GLU 67 Ca -0.08 0.00 -0.05 0.00 0.07 0.00 0.00 59.36 59.29 2kg2 h GLU 67 Cb 0.75 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 29.96 2kg2 h GLU 67 CO 0.11 0.35 0.27 0.82 0.07 0.00 0.00 179.01 180.64 2kg2 h ILE 68 N 0.00 1.26 0.15 -1.06 1.08 -1.04 -3.24 117.51 114.67 2kg2 h ILE 68 Ca -0.00 -0.87 -0.01 0.00 -0.39 0.00 0.00 64.86 63.59 2kg2 h ILE 68 Cb 1.07 0.39 0.00 0.00 -3.07 0.00 0.00 36.82 35.20 2kg2 h ILE 68 CO 0.05 0.35 -0.07 0.00 -0.69 0.00 0.00 178.15 177.78 2kg2 h ALA 69 N 1.17 -0.20 0.00 1.87 0.00 -0.67 -3.48 119.26 117.94 2kg2 h ALA 69 Ca 0.25 -0.17 0.00 0.00 0.00 0.00 0.00 54.91 54.99 2kg2 h ALA 69 Cb 0.26 0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.13 2kg2 h ALA 69 CO -0.01 -0.22 0.00 0.41 0.00 0.00 0.00 179.25 179.42 2kg2 n GLY 70 N 1.03 0.00 3.67 0.00 0.00 -0.37 -4.84 105.19 104.67 2kg2 n GLY 70 Ca -0.05 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.58 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 4.16 0.23 0.99 2.96 0.11 -4.97 118.68 122.15 2kg2 s LEU 71 Ca 0.00 0.67 0.10 0.00 -0.22 0.00 0.00 54.13 54.68 2kg2 s LEU 71 Cb 0.00 -2.69 -0.04 0.00 0.50 0.00 0.00 46.19 43.96 2kg2 s LEU 71 CO 0.00 -0.16 -0.13 -1.10 -1.32 0.00 0.00 176.35 173.64 2kg2 s GLN 72 N 1.54 1.92 0.30 1.98 -1.52 -1.26 -3.73 119.66 118.89 2kg2 s GLN 72 Ca 0.24 -1.49 -0.29 0.00 -1.95 0.00 0.00 55.36 51.86 2kg2 s GLN 72 Cb -0.15 -2.00 -0.10 0.00 -0.22 0.00 0.00 33.01 30.54 2kg2 s GLN 72 CO 0.09 0.38 1.44 0.42 -0.25 0.00 0.00 175.29 177.38 2kg2 s ILE 73 N -2.08 2.46 0.00 1.08 1.01 -1.26 -2.57 121.20 119.84 2kg2 s ILE 73 Ca 0.27 0.42 0.00 0.00 0.00 0.00 0.00 60.65 61.34 2kg2 s ILE 73 Cb -0.07 -3.27 0.00 0.00 0.01 0.00 0.00 42.46 39.14 2kg2 s ILE 73 CO 0.15 0.08 0.00 0.61 0.00 0.00 0.00 174.94 175.78 2kg2 n GLY 74 N 1.53 0.56 3.68 6.18 0.00 0.50 -5.00 105.19 112.64 2kg2 n GLY 74 Ca 0.04 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.64 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 -2.98 7.00 -0.43 1.61 1.01 -1.06 -4.76 116.67 117.05 2kg2 s ASP 75 Ca 0.00 1.78 -0.23 0.00 0.71 0.00 0.00 52.55 54.82 2kg2 s ASP 75 Cb 0.00 -2.55 0.02 0.00 1.01 0.00 0.00 42.92 41.40 2kg2 s ASP 75 CO 0.00 -0.66 0.75 -0.54 0.21 0.00 0.00 175.17 174.94 2kg2 s LYS 76 N 2.72 3.44 -0.05 8.23 1.02 -1.13 -1.23 119.74 132.73 2kg2 s LYS 76 Ca 0.56 -0.09 -0.27 0.00 0.02 0.00 0.00 55.97 56.19 2kg2 s LYS 76 Cb -0.24 -3.92 -0.03 0.00 -0.52 0.00 0.00 37.83 33.12 2kg2 s LYS 76 CO 0.19 -1.05 0.86 0.42 -0.92 0.00 0.00 175.35 174.86 2kg2 s ILE 77 N 3.16 4.93 -0.10 2.17 1.01 0.13 -1.29 121.20 131.22 2kg2 s ILE 77 Ca 0.29 1.78 0.14 0.00 0.00 0.00 0.00 60.65 62.86 2kg2 s ILE 77 Cb -0.13 -4.19 -0.20 0.00 0.01 0.00 0.00 42.46 37.94 2kg2 s ILE 77 CO 0.21 0.17 0.16 0.23 0.00 0.00 0.00 174.94 175.71 2kg2 n MET 78 N 4.07 1.19 -3.70 2.79 2.81 0.39 -3.36 117.12 121.31 2kg2 n MET 78 Ca 0.03 -0.06 -0.11 0.00 -1.81 0.00 0.00 57.70 55.75 2kg2 n MET 78 Cb 0.51 -1.37 -0.10 0.00 -0.71 0.00 0.00 33.22 31.54 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 -2.63 0.46 -0.16 0.03 2.00 -1.17 -0.73 119.66 117.46 2kg2 s GLN 79 Ca -0.07 0.77 -0.03 0.00 -2.00 0.00 0.00 55.36 54.03 2kg2 s GLN 79 Cb 0.06 0.07 0.05 0.00 0.80 0.00 0.00 33.01 34.00 2kg2 s GLN 79 CO 0.62 -0.13 0.05 0.08 -0.50 0.00 0.00 175.29 175.41 2kg2 s VAL 80 N 1.06 0.30 -1.33 1.34 1.01 0.12 -0.17 120.40 122.73 2kg2 s VAL 80 Ca -0.07 -0.30 -0.07 0.00 0.00 0.00 0.00 61.98 61.54 2kg2 s VAL 80 Cb -0.06 -0.79 0.05 0.00 0.00 0.00 0.00 36.38 35.58 2kg2 s VAL 80 CO -0.09 -0.15 0.47 -3.20 0.00 0.00 0.00 175.10 172.14 2kg2 n ASN 81 N 5.14 -4.33 0.00 3.32 4.05 0.21 -0.25 115.26 123.40 2kg2 n ASN 81 Ca -0.08 -0.31 0.00 0.00 0.45 0.00 0.00 54.58 54.64 2kg2 n ASN 81 Cb 0.48 -3.57 0.00 0.00 1.23 0.00 0.00 39.78 37.93 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 -1.23 0.65 3.80 8.20 0.00 -1.26 -4.87 105.19 110.48 2kg2 n GLY 82 Ca -0.05 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.66 2kg2 n GLY 82 CO 0.00 0.00 0.00 0.86 0.00 0.00 0.00 173.32 174.18 2kg2 s TRP 83 N -2.23 3.25 0.11 1.61 -0.11 0.65 -5.08 118.94 117.15 2kg2 s TRP 83 Ca 0.00 0.11 -0.30 0.00 1.22 0.00 0.00 56.10 57.13 2kg2 s TRP 83 Cb 0.00 -1.64 -0.06 0.00 -1.50 0.00 0.00 33.47 30.26 2kg2 s TRP 83 CO 0.00 0.53 1.15 0.34 -4.62 0.00 0.00 176.95 174.35 2kg2 s ASP 84 N -2.42 7.17 0.00 5.86 -1.08 -1.26 0.14 116.67 125.08 2kg2 s ASP 84 Ca 0.30 2.04 0.00 0.00 -0.52 0.00 0.00 52.55 54.38 2kg2 s ASP 84 Cb -0.12 -2.59 0.00 0.00 -1.46 0.00 0.00 42.92 38.75 2kg2 s ASP 84 CO 0.23 -0.35 0.40 0.80 0.52 0.00 0.00 175.17 176.77 2kg2 n MET 85 N 3.18 -0.51 0.22 4.34 1.56 0.09 -4.72 117.12 121.27 2kg2 n MET 85 Ca 0.06 -0.40 0.09 0.00 -0.27 0.00 0.00 57.70 57.18 2kg2 n MET 85 Cb 0.46 -0.89 0.47 0.00 2.15 0.00 0.00 33.22 35.41 2kg2 n MET 85 CO 0.00 0.00 0.00 0.00 -0.73 0.00 0.00 175.97 175.24 2kg2 h THR 86 N 0.16 0.69 -2.39 1.12 1.03 -1.14 -3.18 112.91 109.19 2kg2 h THR 86 Ca 0.00 -1.13 -0.55 0.00 -0.01 0.00 0.00 66.41 64.72 2kg2 h THR 86 Cb 0.08 1.73 -0.37 0.00 -1.07 0.00 0.00 68.15 68.51 2kg2 h THR 86 CO 0.00 0.25 -0.87 -0.32 -0.01 0.00 0.00 175.52 174.57 2kg2 s MET 87 N -3.77 0.69 0.00 0.00 -2.45 -1.26 -4.38 119.30 108.13 2kg2 s MET 87 Ca -0.00 -1.54 -0.18 0.00 -1.25 0.00 0.00 55.69 52.71 2kg2 s MET 87 Cb 0.11 -1.24 0.03 0.00 1.25 0.00 0.00 34.83 34.99 2kg2 s MET 87 CO 0.65 -1.27 0.40 0.54 1.05 0.00 0.00 175.02 176.38 2kg2 s VAL 88 N 0.76 0.05 0.63 10.11 0.11 -1.26 -5.04 120.40 125.76 2kg2 s VAL 88 Ca 0.23 -0.41 -0.13 0.00 -2.93 0.00 0.00 61.98 58.73 2kg2 s VAL 88 Cb -0.12 -0.81 -0.02 0.00 -1.53 0.00 0.00 36.38 33.90 2kg2 s VAL 88 CO -0.07 -0.23 1.05 0.42 -3.33 0.00 0.00 175.10 172.95 2kg2 s THR 89 N -1.79 3.96 0.21 5.04 -4.23 -1.26 -3.43 115.64 114.15 2kg2 s THR 89 Ca -0.10 0.79 -0.09 0.00 -1.18 0.00 0.00 61.69 61.11 2kg2 s THR 89 Cb -0.03 -3.42 0.15 0.00 1.34 0.00 0.00 72.50 70.55 2kg2 s THR 89 CO 0.02 -0.68 1.75 -0.74 -0.54 0.00 0.00 174.62 174.43 2kg2 h HIS 90 N -0.06 0.43 -0.06 3.99 2.76 -1.90 -0.39 115.15 119.92 2kg2 h HIS 90 Ca -0.45 0.03 0.03 0.00 -2.20 0.00 0.00 60.37 57.77 2kg2 h HIS 90 Cb 1.21 -0.10 -0.03 0.00 1.55 0.00 0.00 27.41 30.05 2kg2 h HIS 90 CO 0.60 0.11 -0.10 0.22 -1.30 0.00 0.00 177.93 177.47 2kg2 h ASP 91 N 0.43 -0.30 0.63 3.26 3.58 -1.99 0.15 116.42 122.18 2kg2 h ASP 91 Ca 0.32 0.05 -0.14 0.00 0.42 0.00 0.00 57.03 57.68 2kg2 h ASP 91 Cb 0.39 0.14 -0.02 0.00 1.72 0.00 0.00 39.33 41.56 2kg2 h ASP 91 CO -0.31 -0.14 -0.66 1.56 -2.88 0.00 0.00 179.24 176.82 2kg2 h GLN 92 N -0.14 0.02 0.03 0.28 7.50 -1.86 -3.14 115.11 117.81 2kg2 h GLN 92 Ca 0.06 -0.02 -0.24 0.00 0.50 0.00 0.00 58.65 58.95 2kg2 h GLN 92 Cb 0.22 0.00 0.01 0.00 0.05 0.00 0.00 27.48 27.76 2kg2 h GLN 92 CO -0.14 0.67 -1.01 0.00 -1.50 0.00 0.00 178.83 176.85 2kg2 h ALA 93 N 1.32 0.29 -0.68 3.87 0.00 -0.62 -3.25 119.26 120.20 2kg2 h ALA 93 Ca -0.01 -0.74 0.13 0.00 0.00 0.00 0.00 54.91 54.29 2kg2 h ALA 93 Cb 1.16 -0.00 -0.09 0.00 0.00 0.00 0.00 17.79 18.86 2kg2 h ALA 93 CO 0.09 0.83 0.21 0.00 0.00 0.00 0.00 179.25 180.37 2kg2 h ARG 94 N 0.21 0.33 -2.50 0.00 2.47 -0.67 -1.75 114.38 112.48 2kg2 h ARG 94 Ca -0.10 -0.02 -0.76 0.00 -1.26 0.00 0.00 59.98 57.85 2kg2 h ARG 94 Cb 1.66 -0.07 -0.17 0.00 -1.65 0.00 0.00 29.97 29.74 2kg2 h ARG 94 CO 0.18 0.22 1.98 0.36 0.56 0.00 0.00 179.97 183.27 2kg2 n LYS 95 N -5.07 4.78 0.00 0.04 0.00 -1.23 -0.58 118.16 116.11 2kg2 n LYS 95 Ca 0.12 -3.78 0.00 0.00 -0.00 0.00 0.00 58.31 54.65 2kg2 n LYS 95 Cb 0.37 -2.57 0.00 0.00 -0.00 0.00 0.00 35.03 32.83 2kg2 n LYS 95 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 177.40 175.27 2kg2 n ARG 96 N 1.18 0.00 -0.01 -1.58 3.00 -0.73 -4.79 116.66 113.73 2kg2 n ARG 96 Ca 0.58 0.00 0.00 0.00 -0.00 0.00 0.00 57.85 58.43 2kg2 n ARG 96 Cb 0.26 -0.03 -0.12 0.00 0.00 0.00 0.00 32.46 32.57 2kg2 n ARG 96 CO 0.00 0.00 0.00 1.47 0.00 0.00 0.00 177.63 179.10 2kg2 n LEU 97 N -2.31 0.45 -0.48 6.15 -0.00 -0.81 -4.06 117.00 115.95 2kg2 n LEU 97 Ca 0.00 0.20 0.06 0.00 -0.00 0.00 0.00 56.01 56.26 2kg2 n LEU 97 Cb 0.00 0.17 0.15 0.00 -0.00 0.00 0.00 43.42 43.73 2kg2 n LEU 97 CO 0.00 0.20 0.61 1.07 -0.00 0.00 0.00 177.39 179.27 2kg2 n THR 98 N -2.71 1.47 -1.70 1.47 5.66 0.25 -3.14 114.28 115.58 2kg2 n THR 98 Ca -0.14 -1.42 -0.29 0.00 -3.05 0.00 0.00 64.05 59.15 2kg2 n THR 98 Cb 0.86 0.19 0.10 0.00 -1.55 0.00 0.00 70.33 69.93 2kg2 n THR 98 CO 0.00 0.00 0.00 -1.59 -3.05 0.00 0.00 175.07 170.43 2kg2 s LYS 99 N -1.75 1.85 0.00 1.09 -2.85 -1.16 -4.79 119.74 112.12 2kg2 s LYS 99 Ca 0.24 0.34 0.07 0.00 -1.00 0.00 0.00 55.97 55.62 2kg2 s LYS 99 Cb 0.17 -1.92 0.07 0.00 -2.06 0.00 0.00 37.83 34.09 2kg2 s LYS 99 CO 0.09 -1.72 0.75 2.89 0.10 0.00 0.00 175.35 177.46 2kg2 n ARG 100 N -3.45 0.15 0.08 1.78 1.85 -1.26 -4.59 116.66 111.23 2kg2 n ARG 100 Ca 0.07 -0.98 -0.11 0.00 -1.00 0.00 0.00 57.85 55.83 2kg2 n ARG 100 Cb 0.59 -1.15 -0.03 0.00 -1.05 0.00 0.00 32.46 30.83 2kg2 n ARG 100 CO 0.00 0.00 0.00 0.77 -0.01 0.00 0.00 177.63 178.39 2kg2 h SER 101 N 1.47 0.37 -1.30 2.89 0.02 -1.94 -3.46 113.55 111.60 2kg2 h SER 101 Ca 0.00 -0.30 -0.56 0.00 -0.84 0.00 0.00 61.79 60.09 2kg2 h SER 101 Cb 0.33 -0.11 -0.07 0.00 0.14 0.00 0.00 62.40 62.69 2kg2 h SER 101 CO 0.00 1.10 -0.43 -1.83 -1.14 0.00 0.00 176.83 174.53 2kg2 s GLU 102 N -3.22 2.30 0.00 3.45 -1.05 -1.26 -5.11 118.70 113.81 2kg2 s GLU 102 Ca -0.04 -1.84 0.00 0.00 -0.15 0.00 0.00 54.97 52.94 2kg2 s GLU 102 Cb 0.10 -2.07 0.00 0.00 -0.44 0.00 0.00 34.13 31.71 2kg2 s GLU 102 CO 0.84 -0.25 0.00 -0.85 0.95 0.00 0.00 175.26 175.95 2kg2 n GLU 103 N -1.42 0.00 -2.29 -4.83 0.00 -1.26 -5.00 120.64 105.84 2kg2 n GLU 103 Ca -0.01 0.00 -0.43 0.00 0.00 0.00 0.00 57.16 56.72 2kg2 n GLU 103 Cb 0.64 0.00 -0.02 0.00 0.00 0.00 0.00 31.44 32.06 2kg2 n GLU 103 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.13 177.21 2kg2 s VAL 104 N 0.00 3.93 0.15 3.84 1.01 -1.25 -4.34 120.40 123.74 2kg2 s VAL 104 Ca 0.00 1.04 0.07 0.00 0.00 0.00 0.00 61.98 63.08 2kg2 s VAL 104 Cb 0.00 -3.99 -0.04 0.00 0.00 0.00 0.00 36.38 32.35 2kg2 s VAL 104 CO 0.00 -0.45 -0.01 0.68 0.00 0.00 0.00 175.10 175.32 2kg2 s VAL 105 N 4.89 3.78 -0.34 2.92 -7.23 -0.58 -4.96 120.40 118.89 2kg2 s VAL 105 Ca 0.63 -1.29 0.04 0.00 -1.81 0.00 0.00 61.98 59.54 2kg2 s VAL 105 Cb -0.19 -2.87 0.10 0.00 0.56 0.00 0.00 36.38 33.98 2kg2 s VAL 105 CO 0.27 -0.03 0.05 -0.13 -0.31 0.00 0.00 175.10 174.94 2kg2 s ARG 106 N -2.73 1.44 0.27 4.82 1.81 -1.26 -2.20 118.95 121.09 2kg2 s ARG 106 Ca 0.27 -1.80 0.08 0.00 -1.72 0.00 0.00 55.73 52.56 2kg2 s ARG 106 Cb -0.10 -3.11 -0.04 0.00 -0.45 0.00 0.00 34.95 31.25 2kg2 s ARG 106 CO 0.18 -0.93 0.11 -0.51 -0.68 0.00 0.00 175.30 173.47 2kg2 s LEU 107 N 0.96 3.50 -0.08 2.53 2.01 0.57 0.67 118.68 128.84 2kg2 s LEU 107 Ca 0.10 -0.47 -0.00 0.00 0.01 0.00 0.00 54.13 53.77 2kg2 s LEU 107 Cb -0.19 -2.03 0.02 0.00 0.01 0.00 0.00 46.19 44.00 2kg2 s LEU 107 CO -0.09 -0.06 -0.05 -0.76 1.01 0.00 0.00 176.35 176.40 2kg2 s LEU 108 N -3.78 1.05 0.23 1.79 1.02 0.77 0.49 118.68 120.24 2kg2 s LEU 108 Ca 0.33 -0.20 0.11 0.00 0.02 0.00 0.00 54.13 54.40 2kg2 s LEU 108 Cb -0.07 -0.64 -0.05 0.00 0.02 0.00 0.00 46.19 45.46 2kg2 s LEU 108 CO 0.23 -0.12 -0.22 0.68 0.02 0.00 0.00 176.35 176.94 2kg2 s VAL 109 N 1.57 2.36 0.04 -1.59 -7.23 0.33 -0.46 120.40 115.42 2kg2 s VAL 109 Ca 0.00 -2.20 0.05 0.00 -1.81 0.00 0.00 61.98 58.02 2kg2 s VAL 109 Cb -0.13 -2.19 -0.02 0.00 0.56 0.00 0.00 36.38 34.60 2kg2 s VAL 109 CO -0.05 -0.27 -0.14 0.42 -0.31 0.00 0.00 175.10 174.75 2kg2 s THR 110 N -2.10 1.13 -0.97 5.32 -4.23 -0.41 -0.46 115.64 113.92 2kg2 s THR 110 Ca 0.25 -1.05 -0.11 0.00 -1.18 0.00 0.00 61.69 59.60 2kg2 s THR 110 Cb -0.06 -1.03 0.25 0.00 1.34 0.00 0.00 72.50 73.00 2kg2 s THR 110 CO 0.12 -0.02 0.94 -0.13 -0.54 0.00 0.00 174.62 174.99 2kg2 s ARG 111 N -1.22 3.91 0.00 3.99 1.81 0.69 -2.85 118.95 125.28 2kg2 s ARG 111 Ca 0.01 -2.86 0.26 0.00 -1.72 0.00 0.00 55.73 51.42 2kg2 s ARG 111 Cb -0.08 -4.49 0.72 0.00 -0.45 0.00 0.00 34.95 30.65 2kg2 s ARG 111 CO 0.01 -1.26 1.55 1.04 -0.68 0.00 0.00 175.30 175.96 2kg2 n GLN 112 N 3.30 0.59 -0.07 3.54 1.13 -1.26 -3.83 117.38 120.78 2kg2 n GLN 112 Ca 0.19 -0.33 0.00 0.00 -1.94 0.00 0.00 57.00 54.92 2kg2 n GLN 112 Cb 0.43 -1.49 0.03 0.00 0.11 0.00 0.00 30.24 29.31 2kg2 n GLN 112 CO 0.00 0.00 0.00 0.43 -1.44 0.00 0.00 177.06 176.05 2kg2 n SER 113 N -0.92 1.45 -3.07 1.08 7.64 -1.26 -4.85 113.62 113.70 2kg2 n SER 113 Ca 0.10 -2.07 -0.13 0.00 1.01 0.00 0.00 58.87 57.78 2kg2 n SER 113 Cb 0.34 -0.51 0.01 0.00 -1.01 0.00 0.00 64.21 63.04 2kg2 n SER 113 CO 0.00 0.00 0.00 0.18 -3.01 0.00 0.00 175.04 172.21 2kg2 n LEU 114 N 0.07 -6.40 -4.09 -3.43 4.32 -1.26 -5.05 117.00 101.16 2kg2 n LEU 114 Ca 0.02 0.20 -0.14 0.00 -0.02 0.00 0.00 56.01 56.06 2kg2 n LEU 114 Cb 0.34 -2.97 -0.12 0.00 -1.62 0.00 0.00 43.42 39.05 2kg2 n LEU 114 CO 0.03 -1.53 -0.42 -1.58 -1.22 0.00 0.00 177.39 172.67 2kg2 s GLN 115 N -2.82 0.60 -0.42 3.23 0.74 -1.26 -5.10 119.66 114.63 2kg2 s GLN 115 Ca 0.21 -0.79 0.02 0.00 0.05 0.00 0.00 55.36 54.84 2kg2 s GLN 115 Cb -0.05 -0.42 0.12 0.00 1.10 0.00 0.00 33.01 33.77 2kg2 s GLN 115 CO 0.79 0.08 0.19 0.15 -0.55 0.00 0.00 175.29 175.96 2kg2 s LYS 116 N -1.59 1.34 0.40 1.67 1.02 -1.26 -4.50 119.74 116.82 2kg2 s LYS 116 Ca -0.08 -1.95 0.01 0.00 0.02 0.00 0.00 55.97 53.98 2kg2 s LYS 116 Cb -0.10 -2.57 -0.01 0.00 -0.52 0.00 0.00 37.83 34.63 2kg2 s LYS 116 CO 0.01 -1.09 0.61 0.00 -0.92 0.00 0.00 175.35 173.95 2kg2 s ALA 117 N 0.52 3.81 -0.27 5.17 0.00 -1.26 -4.76 121.76 124.96 2kg2 s ALA 117 Ca 0.15 -1.08 -0.08 0.00 0.00 0.00 0.00 51.96 50.96 2kg2 s ALA 117 Cb -0.23 -2.06 0.01 0.00 0.00 0.00 0.00 23.12 20.84 2kg2 s ALA 117 CO -0.05 -0.23 0.35 0.28 0.00 0.00 0.00 175.76 176.11 2kg2 n VAL 118 N -1.94 -7.03 -3.28 0.00 0.31 -1.26 -5.06 118.33 100.07 2kg2 n VAL 118 Ca -0.01 0.41 -0.12 0.00 -0.01 0.00 0.00 64.34 64.61 2kg2 n VAL 118 Cb 0.57 -5.82 -0.05 0.00 -0.91 0.00 0.00 33.84 27.63 2kg2 n VAL 118 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 2kg2 s GLN 119 N -2.09 0.73 -1.03 5.55 -2.07 -1.26 -5.07 119.66 114.42 2kg2 s GLN 119 Ca 0.12 -0.78 -0.16 0.00 -1.82 0.00 0.00 55.36 52.72 2kg2 s GLN 119 Cb -0.03 -0.49 0.16 0.00 -1.09 0.00 0.00 33.01 31.56 2kg2 s GLN 119 CO 0.44 -1.21 1.21 -1.14 -1.32 0.00 0.00 175.29 173.26 2kg2 s GLN 120 N 1.43 3.81 0.08 9.60 -0.44 -1.26 -4.76 119.66 128.12 2kg2 s GLN 120 Ca 0.18 -2.18 0.14 0.00 -2.50 0.00 0.00 55.36 51.00 2kg2 s GLN 120 Cb -0.11 -4.92 -0.14 0.00 -1.64 0.00 0.00 33.01 26.21 2kg2 s GLN 120 CO -0.04 -1.71 0.96 0.77 0.50 0.00 0.00 175.29 175.76 2kg2 h SER 121 N 8.05 0.00 0.00 6.67 0.02 -1.99 -3.48 113.55 122.81 2kg2 h SER 121 Ca 0.21 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.16 2kg2 h SER 121 Cb 0.96 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.50 2kg2 h SER 121 CO 1.13 0.73 0.00 0.23 -1.14 0.00 0.00 176.83 177.78 2kg2 n MET 122 N -3.05 0.00 -3.03 3.45 2.81 -1.26 -4.49 117.12 111.55 2kg2 n MET 122 Ca -0.08 0.00 -0.44 0.00 -1.81 0.00 0.00 57.70 55.37 2kg2 n MET 122 Cb 0.89 0.00 0.00 0.00 -0.71 0.00 0.00 33.22 33.40 2kg2 n MET 122 CO 0.00 0.00 0.00 -0.11 1.51 0.00 0.00 175.97 177.37 2kg2 n LEU 123 N 0.00 5.36 0.00 4.03 7.94 -1.26 -5.30 117.00 127.76 2kg2 n LEU 123 Ca 0.00 -4.63 0.09 0.00 -1.11 0.00 0.00 56.01 50.36 2kg2 n LEU 123 Cb 0.00 -1.57 0.53 0.00 0.53 0.00 0.00 43.42 42.90 2kg2 n LEU 123 CO 0.00 0.92 0.73 -1.20 -1.11 0.00 0.00 177.39 176.73