#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2kg2 h SER 2 N 0.00 -0.01 -2.36 1.61 0.02 -2.12 -3.48 113.55 107.21 2kg2 h SER 2 Ca 0.00 0.00 0.09 0.00 -0.84 0.00 0.00 61.79 61.04 2kg2 h SER 2 Cb 0.00 0.00 -0.23 0.00 0.14 0.00 0.00 62.40 62.31 2kg2 h SER 2 CO 0.00 0.37 0.16 -0.47 -1.14 0.00 0.00 176.83 175.75 2kg2 s TYR 3 N -1.44 -0.88 -0.31 3.45 5.04 -1.26 -5.13 117.35 116.82 2kg2 s TYR 3 Ca -0.00 1.67 -0.03 0.00 -2.44 0.00 0.00 57.07 56.27 2kg2 s TYR 3 Cb 0.00 0.53 0.05 0.00 0.35 0.00 0.00 41.96 42.89 2kg2 s TYR 3 CO 0.00 -0.44 0.03 -1.50 -1.34 0.00 0.00 175.55 172.31 2kg2 s ILE 4 N 1.87 3.16 0.67 3.14 -1.16 -1.26 -5.10 121.20 122.52 2kg2 s ILE 4 Ca -0.08 -1.37 -0.13 0.00 -0.51 0.00 0.00 60.65 58.56 2kg2 s ILE 4 Cb -0.06 -2.83 0.00 0.00 0.61 0.00 0.00 42.46 40.19 2kg2 s ILE 4 CO -0.18 -0.15 1.08 -2.16 -2.81 0.00 0.00 174.94 170.72 2kg2 s PRO 5 N 1.28 2.88 0.00 3.50 0.04 -1.26 -4.91 135.00 136.53 2kg2 s PRO 5 Ca -0.04 1.17 -0.02 0.00 0.04 0.00 0.00 61.00 62.15 2kg2 s PRO 5 Cb -0.20 -1.97 -0.07 0.00 0.04 0.00 0.00 34.50 32.29 2kg2 s PRO 5 CO -0.00 -1.16 2.24 0.41 0.04 0.00 0.00 177.00 178.52 2kg2 n GLY 6 N -1.21 2.43 3.67 0.56 0.00 -1.26 -4.86 105.19 104.51 2kg2 n GLY 6 Ca 0.09 -0.33 -0.43 0.00 0.00 0.00 0.00 46.02 45.35 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 0.54 4.28 0.00 1.61 0.74 -1.26 -4.85 119.66 120.71 2kg2 s GLN 7 Ca 0.18 1.56 0.00 0.00 0.05 0.00 0.00 55.36 57.15 2kg2 s GLN 7 Cb 0.09 -3.68 0.00 0.00 1.10 0.00 0.00 33.01 30.52 2kg2 s GLN 7 CO 0.00 -0.61 0.00 -0.35 -0.55 0.00 0.00 175.29 173.78 2kg2 n PRO 8 N 6.15 0.00 0.00 1.67 -0.04 -1.25 -4.96 135.00 136.57 2kg2 n PRO 8 Ca 0.12 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.58 2kg2 n PRO 8 Cb 0.46 -0.02 0.00 0.00 -0.04 0.00 0.00 33.50 33.90 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 0.00 0.00 0.14 0.52 0.24 -1.26 -4.92 118.33 113.05 2kg2 n VAL 9 Ca 0.00 0.00 0.05 0.00 -2.04 0.00 0.00 64.34 62.35 2kg2 n VAL 9 Cb 0.00 -0.10 0.05 0.00 -1.47 0.00 0.00 33.84 32.31 2kg2 n VAL 9 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 2kg2 h THR 10 N 0.00 0.55 -4.22 3.34 1.03 -1.99 -3.44 112.91 108.18 2kg2 h THR 10 Ca 0.00 -1.81 -0.69 0.00 -0.01 0.00 0.00 66.41 63.90 2kg2 h THR 10 Cb 0.00 2.21 -0.25 0.00 -1.07 0.00 0.00 68.15 69.04 2kg2 h THR 10 CO 0.00 0.31 -0.85 0.00 -0.01 0.00 0.00 175.52 174.97 2kg2 s ALA 11 N -3.05 2.39 -0.42 0.00 0.00 -1.26 -4.52 121.76 114.90 2kg2 s ALA 11 Ca 0.04 -1.20 -0.11 0.00 0.00 0.00 0.00 51.96 50.69 2kg2 s ALA 11 Cb 0.07 -0.61 0.06 0.00 0.00 0.00 0.00 23.12 22.64 2kg2 s ALA 11 CO 0.74 0.55 0.27 0.08 0.00 0.00 0.00 175.76 177.40 2kg2 s VAL 12 N -0.81 4.53 -0.25 0.00 1.01 -1.20 -3.94 120.40 119.74 2kg2 s VAL 12 Ca 0.12 -1.18 -0.19 0.00 0.00 0.00 0.00 61.98 60.74 2kg2 s VAL 12 Cb -0.10 -3.69 -0.03 0.00 0.00 0.00 0.00 36.38 32.57 2kg2 s VAL 12 CO 0.03 -0.44 0.55 -0.69 0.00 0.00 0.00 175.10 174.54 2kg2 s VAL 13 N 1.51 5.05 0.06 2.92 1.01 -1.26 0.18 120.40 129.86 2kg2 s VAL 13 Ca 0.03 0.96 0.01 0.00 0.00 0.00 0.00 61.98 62.98 2kg2 s VAL 13 Cb -0.22 -3.86 -0.03 0.00 0.00 0.00 0.00 36.38 32.26 2kg2 s VAL 13 CO 0.04 0.08 -0.05 0.00 0.00 0.00 0.00 175.10 175.17 2kg2 s GLN 14 N 2.29 0.62 -0.02 2.72 1.03 -0.07 -4.60 119.66 121.62 2kg2 s GLN 14 Ca 0.23 -1.08 -0.02 0.00 0.04 0.00 0.00 55.36 54.53 2kg2 s GLN 14 Cb -0.16 -0.02 -0.04 0.00 0.03 0.00 0.00 33.01 32.83 2kg2 s GLN 14 CO 0.09 -0.04 0.10 -0.98 -2.54 0.00 0.00 175.29 171.92 2kg2 s ARG 15 N -3.11 3.16 0.16 9.60 1.04 -1.26 -1.37 118.95 127.17 2kg2 s ARG 15 Ca 0.02 -0.42 0.07 0.00 -1.04 0.00 0.00 55.73 54.37 2kg2 s ARG 15 Cb 0.01 -2.93 -0.04 0.00 -2.04 0.00 0.00 34.95 29.95 2kg2 s ARG 15 CO -0.05 0.67 -0.16 0.54 -0.04 0.00 0.00 175.30 176.26 2kg2 s VAL 16 N -1.18 1.64 -0.25 4.99 0.11 0.15 -4.97 120.40 120.89 2kg2 s VAL 16 Ca 0.22 -1.92 -0.03 0.00 -2.93 0.00 0.00 61.98 57.32 2kg2 s VAL 16 Cb -0.12 -1.79 0.08 0.00 -1.53 0.00 0.00 36.38 33.02 2kg2 s VAL 16 CO 0.13 -0.41 0.09 -0.70 -3.33 0.00 0.00 175.10 170.88 2kg2 s GLU 17 N -2.96 0.39 -0.14 1.54 2.12 -1.26 -0.87 118.70 117.53 2kg2 s GLU 17 Ca 0.15 -0.55 -0.18 0.00 0.36 0.00 0.00 54.97 54.76 2kg2 s GLU 17 Cb -0.04 -1.68 -0.04 0.00 0.26 0.00 0.00 34.13 32.62 2kg2 s GLU 17 CO 0.05 -0.86 0.46 0.42 -0.54 0.00 0.00 175.26 174.79 2kg2 s ILE 18 N 1.94 5.19 0.37 -3.70 1.09 -0.37 -4.64 121.20 121.09 2kg2 s ILE 18 Ca 0.06 0.91 -0.00 0.00 -1.10 0.00 0.00 60.65 60.51 2kg2 s ILE 18 Cb -0.17 -3.80 -0.03 0.00 -1.06 0.00 0.00 42.46 37.40 2kg2 s ILE 18 CO -0.23 0.31 0.59 -1.00 -0.10 0.00 0.00 174.94 174.51 2kg2 s HIS 19 N 0.78 3.51 -0.06 3.97 3.76 -1.26 -0.54 115.29 125.45 2kg2 s HIS 19 Ca 0.25 0.43 -0.37 0.00 -0.15 0.00 0.00 55.06 55.22 2kg2 s HIS 19 Cb -0.15 -1.96 -0.15 0.00 1.11 0.00 0.00 32.58 31.43 2kg2 s HIS 19 CO 0.09 0.05 1.62 0.36 -0.85 0.00 0.00 174.74 176.02 2kg2 n LYS 20 N -1.86 1.53 -4.61 1.40 2.85 -0.45 -4.73 118.16 112.28 2kg2 n LYS 20 Ca -0.04 0.56 -0.24 0.00 -1.05 0.00 0.00 58.31 57.53 2kg2 n LYS 20 Cb 0.56 -2.27 -0.16 0.00 -0.65 0.00 0.00 35.03 32.50 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 2.28 1.71 -0.12 -5.58 2.96 -1.14 -5.01 118.68 113.78 2kg2 s LEU 21 Ca 0.90 -0.29 -0.18 0.00 -0.22 0.00 0.00 54.13 54.34 2kg2 s LEU 21 Cb -0.89 -0.82 -0.04 0.00 0.50 0.00 0.00 46.19 44.94 2kg2 s LEU 21 CO 0.52 0.06 0.45 -0.13 -1.32 0.00 0.00 176.35 175.93 2kg2 s ARG 22 N 0.49 4.33 -0.25 1.98 0.52 -1.26 0.16 118.95 124.92 2kg2 s ARG 22 Ca -0.11 0.40 -0.01 0.00 -0.52 0.00 0.00 55.73 55.49 2kg2 s ARG 22 Cb -0.14 -3.43 0.08 0.00 0.52 0.00 0.00 34.95 31.97 2kg2 s ARG 22 CO 0.03 0.17 0.04 -0.65 0.02 0.00 0.00 175.30 174.91 2kg2 s GLN 23 N 0.60 0.92 5.83 3.54 -0.21 0.07 -4.91 119.66 125.50 2kg2 s GLN 23 Ca 0.25 -0.83 0.00 0.00 0.02 0.00 0.00 55.36 54.79 2kg2 s GLN 23 Cb -0.15 -2.20 0.00 0.00 1.00 0.00 0.00 33.01 31.66 2kg2 s GLN 23 CO 0.09 -0.77 0.00 0.41 -2.12 0.00 0.00 175.29 172.90 2kg2 n GLY 24 N 4.87 1.56 0.35 3.09 0.00 -1.26 -1.84 105.19 111.96 2kg2 n GLY 24 Ca -0.07 -0.05 0.08 0.00 0.00 0.00 0.00 46.02 45.98 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 2.15 -4.47 1.61 1.02 -1.26 -5.01 120.64 114.68 2kg2 n GLU 25 Ca 0.00 -2.46 -0.23 0.00 -0.02 0.00 0.00 57.16 54.45 2kg2 n GLU 25 Cb 0.00 -1.51 -0.10 0.00 -0.02 0.00 0.00 31.44 29.81 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 -2.17 2.44 -0.22 1.62 0.01 -0.77 -5.12 114.94 110.73 2kg2 s ASN 26 Ca 0.30 -1.47 0.02 0.00 -0.71 0.00 0.00 52.86 50.99 2kg2 s ASN 26 Cb 0.25 0.13 0.04 0.00 0.41 0.00 0.00 41.25 42.07 2kg2 s ASN 26 CO 0.05 -0.72 -0.16 -0.22 -1.51 0.00 0.00 177.10 174.54 2kg2 s LEU 27 N -3.52 2.74 0.22 0.60 1.98 -1.26 -0.75 118.68 118.70 2kg2 s LEU 27 Ca 0.32 -1.00 0.05 0.00 -2.89 0.00 0.00 54.13 50.61 2kg2 s LEU 27 Cb 0.07 -1.51 -0.05 0.00 0.66 0.00 0.00 46.19 45.35 2kg2 s LEU 27 CO 0.15 -0.09 -0.05 -0.63 -1.89 0.00 0.00 176.35 173.84 2kg2 s ILE 28 N 1.20 1.27 -2.08 6.68 1.01 0.12 -3.92 121.20 125.48 2kg2 s ILE 28 Ca -0.02 -2.08 0.23 0.00 0.00 0.00 0.00 60.65 58.79 2kg2 s ILE 28 Cb -0.16 -2.24 0.62 0.00 0.01 0.00 0.00 42.46 40.68 2kg2 s ILE 28 CO -0.09 -0.43 1.83 0.18 0.00 0.00 0.00 174.94 176.43 2kg2 n LEU 29 N -0.41 0.37 0.00 2.97 4.32 -1.26 -2.90 117.00 120.10 2kg2 n LEU 29 Ca -0.06 -0.15 0.00 0.00 -0.02 0.00 0.00 56.01 55.78 2kg2 n LEU 29 Cb 0.63 -0.02 0.00 0.00 -1.62 0.00 0.00 43.42 42.41 2kg2 n LEU 29 CO 0.36 0.07 0.00 0.61 -1.22 0.00 0.00 177.39 177.22 2kg2 n GLY 30 N 0.93 2.09 3.93 -0.72 0.00 -1.26 -3.95 105.19 106.21 2kg2 n GLY 30 Ca 0.17 -0.39 -0.25 0.00 0.00 0.00 0.00 46.02 45.55 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 -0.24 3.24 0.18 1.61 -0.12 -1.26 -3.57 117.98 117.81 2kg2 s PHE 31 Ca 0.00 0.47 0.01 0.00 -0.05 0.00 0.00 56.93 57.36 2kg2 s PHE 31 Cb 0.00 -2.56 0.01 0.00 -0.63 0.00 0.00 43.02 39.83 2kg2 s PHE 31 CO 0.00 -0.63 0.07 -1.13 -0.05 0.00 0.00 175.22 173.48 2kg2 n SER 32 N -2.37 2.00 -4.18 1.98 3.41 0.15 -4.90 113.62 109.71 2kg2 n SER 32 Ca 0.03 -1.68 -0.11 0.00 -0.26 0.00 0.00 58.87 56.85 2kg2 n SER 32 Cb 0.58 0.05 -0.10 0.00 -0.26 0.00 0.00 64.21 64.48 2kg2 n SER 32 CO 0.00 0.00 0.00 0.27 -0.16 0.00 0.00 175.04 175.15 2kg2 s ILE 33 N -1.24 0.31 -0.12 -1.33 -4.36 -1.26 -3.29 121.20 109.91 2kg2 s ILE 33 Ca 0.05 -1.93 0.06 0.00 -0.26 0.00 0.00 60.65 58.58 2kg2 s ILE 33 Cb -0.00 -2.05 -0.12 0.00 1.25 0.00 0.00 42.46 41.54 2kg2 s ILE 33 CO 0.03 -0.49 -0.02 0.61 0.24 0.00 0.00 174.94 175.31 2kg2 n GLY 34 N -0.14 -0.41 0.00 6.27 0.00 0.26 -4.57 105.19 106.59 2kg2 n GLY 34 Ca -0.06 -0.15 0.00 0.00 0.00 0.00 0.00 46.02 45.81 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 2.51 3.45 0.00 -0.02 0.00 -1.26 -4.94 105.19 104.93 2kg2 n GLY 35 Ca -0.21 -1.75 0.00 0.00 0.00 0.00 0.00 46.02 44.06 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 -1.07 0.68 0.00 -0.02 0.00 -1.18 -4.29 105.19 99.31 2kg2 n GLY 36 Ca 0.00 0.00 0.08 0.00 0.00 0.00 0.00 46.02 46.10 2kg2 n GLY 36 CO 0.00 0.00 0.00 0.29 0.00 0.00 0.00 173.32 173.61 2kg2 n ILE 37 N 0.00 0.88 0.73 -0.61 -0.00 -1.25 -0.83 119.36 118.28 2kg2 n ILE 37 Ca 0.00 0.22 0.13 0.00 -0.00 0.00 0.00 62.75 63.10 2kg2 n ILE 37 Cb 0.00 -0.94 0.42 0.00 -0.00 0.00 0.00 39.64 39.12 2kg2 n ILE 37 CO 0.00 0.00 0.00 -0.67 -0.00 0.00 0.00 176.55 175.88 2kg2 n ASP 38 N -1.49 0.58 -4.33 7.28 2.03 -1.26 -4.83 116.55 114.53 2kg2 n ASP 38 Ca 0.04 0.45 -0.24 0.00 0.52 0.00 0.00 54.79 55.56 2kg2 n ASP 38 Cb 0.19 -0.54 -0.02 0.00 -0.72 0.00 0.00 41.12 40.03 2kg2 n ASP 38 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 2kg2 n GLN 39 N -2.01 0.87 -4.53 -0.67 1.13 -0.01 -4.97 117.38 107.18 2kg2 n GLN 39 Ca 0.06 -2.98 -0.31 0.00 -1.94 0.00 0.00 57.00 51.83 2kg2 n GLN 39 Cb 0.40 0.51 -0.17 0.00 0.11 0.00 0.00 30.24 31.10 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 -3.57 2.85 0.55 1.08 2.15 -1.26 -4.92 116.67 113.54 2kg2 s ASP 40 Ca 0.16 -0.54 0.24 0.00 0.43 0.00 0.00 52.55 52.85 2kg2 s ASP 40 Cb -0.01 -1.30 1.46 0.00 -0.30 0.00 0.00 42.92 42.76 2kg2 s ASP 40 CO 0.10 0.05 2.06 1.55 -0.17 0.00 0.00 175.17 178.76 2kg2 h PRO 41 N 7.43 0.00 0.00 4.34 0.13 -1.89 -0.39 132.00 141.63 2kg2 h PRO 41 Ca -0.33 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.80 2kg2 h PRO 41 Cb 1.18 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.31 2kg2 h PRO 41 CO 0.53 0.00 0.00 1.03 -0.23 0.00 0.00 178.00 179.33 2kg2 h SER 42 N 0.00 0.00 0.00 1.44 0.87 -1.88 -2.71 113.55 111.27 2kg2 h SER 42 Ca 0.14 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.70 2kg2 h SER 42 Cb 0.63 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.59 2kg2 h SER 42 CO -0.00 0.00 -0.01 0.00 -0.53 0.00 0.00 176.83 176.29 2kg2 n GLN 43 N -3.07 2.43 -4.05 2.24 10.64 -0.31 -4.96 117.38 120.30 2kg2 n GLN 43 Ca 0.03 -1.73 -0.34 0.00 -1.83 0.00 0.00 57.00 53.12 2kg2 n GLN 43 Cb 0.44 -1.10 -0.07 0.00 -0.86 0.00 0.00 30.24 28.65 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 -1.44 5.89 0.01 2.61 0.02 -0.33 -4.92 114.94 116.79 2kg2 s ASN 44 Ca 0.08 0.24 -0.24 0.00 -1.02 0.00 0.00 52.86 51.92 2kg2 s ASN 44 Cb 0.07 -1.77 -0.18 0.00 0.02 0.00 0.00 41.25 39.40 2kg2 s ASN 44 CO 0.01 0.31 1.39 1.55 0.02 0.00 0.00 177.10 180.37 2kg2 h PRO 45 N 4.31 0.06 -0.26 -0.60 0.13 -1.90 -2.66 132.00 131.08 2kg2 h PRO 45 Ca -0.50 -0.02 0.00 0.00 -0.87 0.00 0.00 66.00 64.60 2kg2 h PRO 45 Cb 1.19 -0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.32 2kg2 h PRO 45 CO 0.62 0.42 0.00 1.19 -0.23 0.00 0.00 178.00 180.00 2kg2 n PHE 46 N -4.86 0.69 0.33 1.56 3.72 -1.26 -4.08 117.46 113.56 2kg2 n PHE 46 Ca -0.08 -0.75 0.05 0.00 -0.05 0.00 0.00 57.45 56.62 2kg2 n PHE 46 Cb 0.21 -0.20 -0.06 0.00 -0.94 0.00 0.00 39.48 38.49 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 -0.24 1.01 0.00 4.37 2.88 -1.23 -4.50 113.62 115.92 2kg2 n SER 47 Ca 0.17 -0.55 0.12 0.00 -1.33 0.00 0.00 58.87 57.29 2kg2 n SER 47 Cb 0.70 1.11 0.56 0.00 -0.75 0.00 0.00 64.21 65.83 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 -1.37 0.05 -0.28 -1.46 0.28 -1.00 -3.28 120.64 113.58 2kg2 n GLU 48 Ca 0.01 0.06 0.05 0.00 -0.16 0.00 0.00 57.16 57.11 2kg2 n GLU 48 Cb 0.17 -1.50 0.19 0.00 1.43 0.00 0.00 31.44 31.73 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 0.00 0.54 0.00 -1.84 3.58 -1.83 -3.44 116.42 113.43 2kg2 h ASP 49 Ca 0.00 0.08 0.00 0.00 0.42 0.00 0.00 57.03 57.53 2kg2 h ASP 49 Cb 0.41 -0.01 0.00 0.00 1.72 0.00 0.00 39.33 41.45 2kg2 h ASP 49 CO 0.00 0.26 0.00 0.29 -2.88 0.00 0.00 179.24 176.91 2kg2 n LYS 50 N -4.84 0.00 -0.93 0.28 5.02 -1.21 -5.01 118.16 111.47 2kg2 n LYS 50 Ca 0.15 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.44 2kg2 n LYS 50 Cb 0.36 0.00 -0.00 0.00 -0.02 0.00 0.00 35.03 35.37 2kg2 n LYS 50 CO 0.00 0.00 0.00 -2.37 -0.52 0.00 0.00 177.40 174.51 2kg2 n THR 51 N 0.00 0.00 -2.60 -0.18 5.66 -1.24 -4.83 114.28 111.09 2kg2 n THR 51 Ca 0.00 -0.36 -0.41 0.00 -3.05 0.00 0.00 64.05 60.23 2kg2 n THR 51 Cb 0.00 0.61 -0.03 0.00 -1.55 0.00 0.00 70.33 69.36 2kg2 n THR 51 CO 0.00 0.00 0.00 1.51 -3.05 0.00 0.00 175.07 173.53 2kg2 s ASP 52 N -1.22 6.19 0.81 1.09 -4.77 -1.26 -4.89 116.67 112.62 2kg2 s ASP 52 Ca 0.12 -0.49 -0.10 0.00 -3.30 0.00 0.00 52.55 48.78 2kg2 s ASP 52 Cb 0.14 -2.54 0.11 0.00 -1.09 0.00 0.00 42.92 39.55 2kg2 s ASP 52 CO -0.06 -1.75 1.15 -0.54 0.70 0.00 0.00 175.17 174.67 2kg2 s LYS 53 N 5.41 1.64 0.00 2.11 1.02 -1.26 -4.73 119.74 123.93 2kg2 s LYS 53 Ca 0.34 -0.29 0.00 0.00 0.02 0.00 0.00 55.97 56.04 2kg2 s LYS 53 Cb -0.09 -2.03 0.00 0.00 -0.52 0.00 0.00 37.83 35.18 2kg2 s LYS 53 CO 0.15 -1.69 0.00 0.41 -0.92 0.00 0.00 175.35 173.30 2kg2 n GLY 54 N -3.26 3.52 3.72 -3.33 0.00 -1.26 -4.92 105.19 99.66 2kg2 n GLY 54 Ca 0.11 -1.59 -0.41 0.00 0.00 0.00 0.00 46.02 44.13 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 4.71 0.08 -0.61 -1.09 -1.26 -3.11 121.20 117.92 2kg2 s ILE 55 Ca 0.00 1.97 -0.03 0.00 -2.23 0.00 0.00 60.65 60.36 2kg2 s ILE 55 Cb 0.00 -4.28 -0.03 0.00 -1.58 0.00 0.00 42.46 36.57 2kg2 s ILE 55 CO 0.00 0.26 0.05 -0.72 -1.23 0.00 0.00 174.94 173.29 2kg2 s TYR 56 N 0.43 0.51 -0.04 3.97 -0.85 -1.26 0.04 117.35 120.14 2kg2 s TYR 56 Ca 0.47 -0.99 -0.25 0.00 -0.52 0.00 0.00 57.07 55.78 2kg2 s TYR 56 Cb -0.22 -0.33 -0.04 0.00 0.38 0.00 0.00 41.96 41.76 2kg2 s TYR 56 CO 0.27 -0.46 0.77 0.08 -1.52 0.00 0.00 175.55 174.70 2kg2 s VAL 57 N -3.94 4.97 -0.07 -3.49 1.01 -1.26 -0.58 120.40 117.05 2kg2 s VAL 57 Ca 0.10 1.60 0.18 0.00 0.00 0.00 0.00 61.98 63.87 2kg2 s VAL 57 Cb 0.07 -4.11 -0.28 0.00 0.00 0.00 0.00 36.38 32.06 2kg2 s VAL 57 CO -0.07 0.25 0.31 0.35 0.00 0.00 0.00 175.10 175.94 2kg2 n THR 58 N 3.67 0.38 -3.71 3.92 -2.24 -1.21 -1.19 114.28 113.91 2kg2 n THR 58 Ca 0.00 -0.54 -0.11 0.00 -2.27 0.00 0.00 64.05 61.13 2kg2 n THR 58 Cb 0.51 -0.12 -0.12 0.00 -2.10 0.00 0.00 70.33 68.50 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 -3.07 0.30 0.54 -0.78 1.81 -1.26 -4.87 118.95 111.63 2kg2 s ARG 59 Ca -0.08 0.68 0.08 0.00 -1.72 0.00 0.00 55.73 54.69 2kg2 s ARG 59 Cb 0.10 -0.06 0.05 0.00 -0.45 0.00 0.00 34.95 34.60 2kg2 s ARG 59 CO 0.79 -0.17 0.59 0.14 -0.68 0.00 0.00 175.30 175.98 2kg2 s VAL 60 N 1.39 2.05 -0.32 3.52 -7.23 -1.26 0.30 120.40 118.85 2kg2 s VAL 60 Ca -0.09 -1.22 -0.29 0.00 -1.81 0.00 0.00 61.98 58.57 2kg2 s VAL 60 Cb -0.09 -2.27 0.02 0.00 0.56 0.00 0.00 36.38 34.59 2kg2 s VAL 60 CO -0.11 0.00 1.09 -0.55 -0.31 0.00 0.00 175.10 175.22 2kg2 s SER 61 N -4.45 6.91 0.00 4.85 0.15 -1.23 -4.74 113.70 115.18 2kg2 s SER 61 Ca 0.50 1.05 0.07 0.00 0.70 0.00 0.00 55.95 58.27 2kg2 s SER 61 Cb -0.04 -2.54 0.42 0.00 -1.71 0.00 0.00 66.02 62.14 2kg2 s SER 61 CO 0.31 -0.90 0.98 -1.84 1.20 0.00 0.00 173.24 172.99 2kg2 n GLU 62 N 6.92 0.18 -1.23 5.44 0.28 -1.26 -2.27 120.64 128.70 2kg2 n GLU 62 Ca 0.12 0.08 -0.02 0.00 -0.16 0.00 0.00 57.16 57.18 2kg2 n GLU 62 Cb 0.47 -1.50 0.00 0.00 1.43 0.00 0.00 31.44 31.84 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 -0.58 0.15 0.00 -1.84 0.00 -1.26 -5.07 105.19 96.59 2kg2 n GLY 63 Ca 0.05 -0.03 0.00 0.00 0.00 0.00 0.00 46.02 46.04 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 -0.28 4.71 0.22 -0.02 0.00 -0.96 -4.98 105.19 103.89 2kg2 n GLY 64 Ca -0.12 -2.14 0.06 0.00 0.00 0.00 0.00 46.02 43.83 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 0.51 1.61 0.13 -1.85 -1.19 132.00 131.21 2kg2 h PRO 65 Ca 0.00 0.00 -0.02 0.00 -0.87 0.00 0.00 66.00 65.11 2kg2 h PRO 65 Cb 0.00 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.13 2kg2 h PRO 65 CO 0.00 0.22 -0.28 0.00 -0.23 0.00 0.00 178.00 177.70 2kg2 h ALA 66 N 1.78 -1.15 0.00 -0.56 0.00 -1.83 0.61 119.26 118.11 2kg2 h ALA 66 Ca -0.00 -0.16 -0.12 0.00 0.00 0.00 0.00 54.91 54.63 2kg2 h ALA 66 Cb 0.42 0.36 -0.02 0.00 0.00 0.00 0.00 17.79 18.55 2kg2 h ALA 66 CO 0.03 -1.11 -0.57 1.05 0.00 0.00 0.00 179.25 178.64 2kg2 h GLU 67 N -0.73 0.00 -0.41 0.00 4.11 -1.59 0.33 114.58 116.29 2kg2 h GLU 67 Ca -0.07 0.00 0.05 0.00 0.07 0.00 0.00 59.36 59.41 2kg2 h GLU 67 Cb 0.58 0.00 -0.05 0.00 0.50 0.00 0.00 28.75 29.78 2kg2 h GLU 67 CO 0.09 0.57 0.14 0.82 0.07 0.00 0.00 179.01 180.70 2kg2 h ILE 68 N 0.00 0.87 -0.02 -1.06 1.08 -1.12 -2.97 117.51 114.29 2kg2 h ILE 68 Ca -0.01 -0.10 -0.06 0.00 -0.39 0.00 0.00 64.86 64.30 2kg2 h ILE 68 Cb 1.01 0.54 0.00 0.00 -3.07 0.00 0.00 36.82 35.31 2kg2 h ILE 68 CO 0.07 0.05 -0.22 0.00 -0.69 0.00 0.00 178.15 177.37 2kg2 h ALA 69 N 1.27 0.06 0.00 1.87 0.00 -0.74 -3.48 119.26 118.24 2kg2 h ALA 69 Ca 0.19 -0.43 0.00 0.00 0.00 0.00 0.00 54.91 54.67 2kg2 h ALA 69 Cb 0.18 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.98 2kg2 h ALA 69 CO -0.20 0.06 0.00 0.41 0.00 0.00 0.00 179.25 179.52 2kg2 n GLY 70 N 0.86 -0.47 3.65 0.00 0.00 -0.42 -4.83 105.19 103.97 2kg2 n GLY 70 Ca -0.09 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.50 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 4.04 -0.02 0.99 2.96 0.10 -4.96 118.68 121.79 2kg2 s LEU 71 Ca 0.00 1.27 0.08 0.00 -0.22 0.00 0.00 54.13 55.25 2kg2 s LEU 71 Cb 0.00 -3.54 -0.02 0.00 0.50 0.00 0.00 46.19 43.13 2kg2 s LEU 71 CO 0.00 -0.77 -0.25 -1.10 -1.32 0.00 0.00 176.35 172.92 2kg2 s GLN 72 N 3.41 2.15 0.32 1.98 -1.52 -1.26 -3.68 119.66 121.06 2kg2 s GLN 72 Ca 0.45 -0.91 -0.28 0.00 -1.95 0.00 0.00 55.36 52.68 2kg2 s GLN 72 Cb -0.14 -2.08 -0.13 0.00 -0.22 0.00 0.00 33.01 30.44 2kg2 s GLN 72 CO 0.10 0.57 1.19 -0.89 -0.25 0.00 0.00 175.29 176.01 2kg2 n ILE 73 N 2.41 1.99 -1.85 1.08 5.41 -1.26 -3.21 119.36 123.94 2kg2 n ILE 73 Ca -0.16 -0.50 0.00 0.00 1.00 0.00 0.00 62.75 63.09 2kg2 n ILE 73 Cb 0.51 -1.36 0.00 0.00 -0.71 0.00 0.00 39.64 38.08 2kg2 n ILE 73 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 176.55 177.16 2kg2 n GLY 74 N 0.94 0.80 0.00 7.39 0.00 -0.34 -5.02 105.19 108.97 2kg2 n GLY 74 Ca 0.06 -0.65 0.00 0.00 0.00 0.00 0.00 46.02 45.43 2kg2 n GLY 74 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 2kg2 n ASP 75 N 1.46 0.00 -3.34 1.61 5.75 -1.20 -4.40 116.55 116.44 2kg2 n ASP 75 Ca 0.00 -0.14 -0.12 0.00 -0.01 0.00 0.00 54.79 54.52 2kg2 n ASP 75 Cb 0.41 0.00 -0.07 0.00 -1.03 0.00 0.00 41.12 40.43 2kg2 n ASP 75 CO 0.00 0.00 0.00 -0.54 -0.11 0.00 0.00 177.20 176.55 2kg2 s LYS 76 N 1.55 0.49 -0.31 0.11 -0.14 -1.05 -4.64 119.74 115.76 2kg2 s LYS 76 Ca 0.00 -0.26 -0.29 0.00 -1.36 0.00 0.00 55.97 54.06 2kg2 s LYS 76 Cb 0.00 -0.48 -0.01 0.00 -1.68 0.00 0.00 37.83 35.66 2kg2 s LYS 76 CO 0.00 -1.09 1.46 0.42 -0.76 0.00 0.00 175.35 175.38 2kg2 s ILE 77 N 2.12 3.89 -0.73 2.17 1.01 0.11 -1.46 121.20 128.31 2kg2 s ILE 77 Ca 0.12 0.98 0.16 0.00 0.00 0.00 0.00 60.65 61.91 2kg2 s ILE 77 Cb -0.13 -3.99 -0.17 0.00 0.01 0.00 0.00 42.46 38.18 2kg2 s ILE 77 CO -0.21 -0.49 0.67 0.23 0.00 0.00 0.00 174.94 175.14 2kg2 n MET 78 N 7.70 1.74 -3.64 2.79 2.81 0.12 -3.94 117.12 124.71 2kg2 n MET 78 Ca 0.17 -0.00 -0.08 0.00 -1.81 0.00 0.00 57.70 55.98 2kg2 n MET 78 Cb 0.47 -1.25 -0.07 0.00 -0.71 0.00 0.00 33.22 31.66 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 -2.51 0.64 -0.13 0.03 -0.44 -1.14 -1.18 119.66 114.93 2kg2 s GLN 79 Ca 0.06 0.96 -0.02 0.00 -2.50 0.00 0.00 55.36 53.86 2kg2 s GLN 79 Cb 0.12 0.21 0.04 0.00 -1.64 0.00 0.00 33.01 31.74 2kg2 s GLN 79 CO 0.65 -0.11 0.01 0.08 0.50 0.00 0.00 175.29 176.42 2kg2 s VAL 80 N 1.04 0.53 -1.26 1.34 1.01 -1.26 0.31 120.40 122.10 2kg2 s VAL 80 Ca -0.05 -0.25 -0.14 0.00 0.00 0.00 0.00 61.98 61.54 2kg2 s VAL 80 Cb -0.05 -0.83 0.00 0.00 0.00 0.00 0.00 36.38 35.50 2kg2 s VAL 80 CO -0.11 0.06 0.62 -3.20 0.00 0.00 0.00 175.10 172.46 2kg2 n ASN 81 N 5.08 -3.07 0.00 3.32 2.85 0.51 -1.31 115.26 122.63 2kg2 n ASN 81 Ca -0.09 -1.05 0.00 0.00 -0.11 0.00 0.00 54.58 53.34 2kg2 n ASN 81 Cb 0.49 -3.04 0.00 0.00 1.24 0.00 0.00 39.78 38.47 2kg2 n ASN 81 CO 0.00 0.00 0.00 0.61 -2.11 0.00 0.00 177.26 175.76 2kg2 n GLY 82 N -1.86 0.09 0.06 8.20 0.00 -1.26 -4.79 105.19 105.63 2kg2 n GLY 82 Ca -0.19 0.00 0.12 0.00 0.00 0.00 0.00 46.02 45.96 2kg2 n GLY 82 CO 0.00 0.00 0.00 -2.67 0.00 0.00 0.00 173.32 170.65 2kg2 n TRP 83 N -2.02 0.52 -1.71 1.61 4.27 -0.43 -5.04 117.44 114.63 2kg2 n TRP 83 Ca 0.00 0.15 0.00 0.00 -3.89 0.00 0.00 57.50 53.76 2kg2 n TRP 83 Cb 0.11 -0.64 0.00 0.00 -1.36 0.00 0.00 31.31 29.42 2kg2 n TRP 83 CO 0.00 0.00 0.00 -3.47 -2.29 0.00 0.00 177.69 171.93 2kg2 n ASP 84 N -2.04 -7.42 -0.04 -0.67 -0.08 -1.26 -4.91 116.55 100.14 2kg2 n ASP 84 Ca 0.04 1.07 0.00 0.00 -1.51 0.00 0.00 54.79 54.39 2kg2 n ASP 84 Cb 0.42 -4.15 0.01 0.00 2.34 0.00 0.00 41.12 39.74 2kg2 n ASP 84 CO 0.00 0.00 0.00 0.80 0.12 0.00 0.00 177.20 178.12 2kg2 n MET 85 N 1.45 2.43 -0.30 -0.67 0.00 -0.32 -4.74 117.12 114.97 2kg2 n MET 85 Ca 0.00 -1.39 0.35 0.00 -0.00 0.00 0.00 57.70 56.65 2kg2 n MET 85 Cb 0.00 -1.02 0.71 0.00 0.00 0.00 0.00 33.22 32.91 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 0.14 0.26 -1.01 1.12 1.03 -1.29 -3.33 112.91 109.83 2kg2 h THR 86 Ca 0.00 0.00 -0.04 0.00 -0.01 0.00 0.00 66.41 66.36 2kg2 h THR 86 Cb 0.45 0.31 -0.20 0.00 -1.07 0.00 0.00 68.15 67.64 2kg2 h THR 86 CO 0.00 0.00 -0.44 -0.32 -0.01 0.00 0.00 175.52 174.75 2kg2 s MET 87 N -4.79 0.76 0.00 0.00 -2.45 -1.26 -4.72 119.30 106.84 2kg2 s MET 87 Ca -0.04 -0.07 -0.13 0.00 -1.25 0.00 0.00 55.69 54.19 2kg2 s MET 87 Cb 0.21 0.13 0.02 0.00 1.25 0.00 0.00 34.83 36.43 2kg2 s MET 87 CO 0.72 -1.16 0.27 0.54 1.05 0.00 0.00 175.02 176.44 2kg2 s VAL 88 N 2.08 0.07 0.70 10.11 0.11 -1.25 -5.04 120.40 127.17 2kg2 s VAL 88 Ca 0.15 -0.58 -0.13 0.00 -2.93 0.00 0.00 61.98 58.48 2kg2 s VAL 88 Cb -0.06 -0.65 0.02 0.00 -1.53 0.00 0.00 36.38 34.16 2kg2 s VAL 88 CO -0.12 -0.32 1.10 0.42 -3.33 0.00 0.00 175.10 172.85 2kg2 s THR 89 N -1.62 3.35 0.21 5.04 -4.23 -1.26 -3.90 115.64 113.23 2kg2 s THR 89 Ca -0.12 0.54 -0.09 0.00 -1.18 0.00 0.00 61.69 60.84 2kg2 s THR 89 Cb -0.05 -3.06 0.15 0.00 1.34 0.00 0.00 72.50 70.88 2kg2 s THR 89 CO 0.02 -0.47 1.83 -0.74 -0.54 0.00 0.00 174.62 174.72 2kg2 h HIS 90 N -0.41 0.76 -0.31 3.99 2.76 -1.92 0.13 115.15 120.16 2kg2 h HIS 90 Ca -0.45 0.02 0.02 0.00 -2.20 0.00 0.00 60.37 57.76 2kg2 h HIS 90 Cb 1.24 -0.24 -0.02 0.00 1.55 0.00 0.00 27.41 29.93 2kg2 h HIS 90 CO 0.56 0.40 0.17 0.22 -1.30 0.00 0.00 177.93 177.98 2kg2 h ASP 91 N 0.78 0.26 0.15 3.26 3.58 -1.99 0.22 116.42 122.68 2kg2 h ASP 91 Ca 0.30 0.01 -0.21 0.00 0.42 0.00 0.00 57.03 57.55 2kg2 h ASP 91 Cb 0.12 -0.05 0.00 0.00 1.72 0.00 0.00 39.33 41.12 2kg2 h ASP 91 CO -0.15 0.19 -0.81 1.56 -2.88 0.00 0.00 179.24 177.16 2kg2 h GLN 92 N 0.35 0.53 -0.64 0.28 7.50 -1.86 -3.18 115.11 118.09 2kg2 h GLN 92 Ca 0.13 -0.47 -0.07 0.00 0.50 0.00 0.00 58.65 58.74 2kg2 h GLN 92 Cb 0.02 0.11 -0.03 0.00 0.05 0.00 0.00 27.48 27.63 2kg2 h GLN 92 CO -0.07 1.10 0.11 0.00 -1.50 0.00 0.00 178.83 178.46 2kg2 h ALA 93 N 0.76 0.85 -1.00 3.87 0.00 -0.34 -2.81 119.26 120.59 2kg2 h ALA 93 Ca -0.05 -0.26 0.15 0.00 0.00 0.00 0.00 54.91 54.74 2kg2 h ALA 93 Cb 1.41 -0.24 -0.09 0.00 0.00 0.00 0.00 17.79 18.87 2kg2 h ALA 93 CO 0.15 0.61 0.62 0.00 0.00 0.00 0.00 179.25 180.63 2kg2 h ARG 94 N 0.97 0.87 -0.41 0.00 2.47 -0.55 0.10 114.38 117.84 2kg2 h ARG 94 Ca 0.19 -0.05 0.00 0.00 -1.26 0.00 0.00 59.98 58.86 2kg2 h ARG 94 Cb 0.43 -0.20 0.00 0.00 -1.65 0.00 0.00 29.97 28.55 2kg2 h ARG 94 CO 0.01 0.58 0.00 1.63 0.56 0.00 0.00 179.97 182.75 2kg2 n LYS 95 N -4.66 1.16 0.00 0.04 4.76 -1.06 -1.61 118.16 116.78 2kg2 n LYS 95 Ca 0.20 -0.17 0.00 0.00 -2.87 0.00 0.00 58.31 55.47 2kg2 n LYS 95 Cb 0.44 -1.24 0.00 0.00 -1.84 0.00 0.00 35.03 32.39 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 -0.21 0.72 -0.07 1.97 3.00 0.20 -4.52 116.66 117.75 2kg2 n ARG 96 Ca 0.02 0.00 -0.05 0.00 -0.00 0.00 0.00 57.85 57.81 2kg2 n ARG 96 Cb 0.14 -0.72 -0.16 0.00 0.00 0.00 0.00 32.46 31.73 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 -1.60 0.10 -0.51 6.15 -0.00 -0.27 -4.33 117.00 116.53 2kg2 n LEU 97 Ca 0.00 0.05 0.05 0.00 -0.00 0.00 0.00 56.01 56.11 2kg2 n LEU 97 Cb 0.22 0.36 0.14 0.00 -0.00 0.00 0.00 43.42 44.14 2kg2 n LEU 97 CO 0.00 0.37 0.61 1.07 -0.00 0.00 0.00 177.39 179.45 2kg2 n THR 98 N -2.68 1.36 -1.40 1.47 5.66 -0.63 -4.08 114.28 113.98 2kg2 n THR 98 Ca -0.25 -1.30 -0.32 0.00 -3.05 0.00 0.00 64.05 59.13 2kg2 n THR 98 Cb 1.02 0.27 0.08 0.00 -1.55 0.00 0.00 70.33 70.15 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 -1.56 2.29 0.00 1.09 -2.85 -1.17 -4.92 119.74 112.61 2kg2 s LYS 99 Ca 0.23 1.38 0.08 0.00 -1.00 0.00 0.00 55.97 56.66 2kg2 s LYS 99 Cb 0.16 -1.89 0.22 0.00 -2.06 0.00 0.00 37.83 34.26 2kg2 s LYS 99 CO 0.10 -1.65 1.15 2.89 0.10 0.00 0.00 175.35 177.94 2kg2 n ARG 100 N -3.09 2.61 0.06 1.78 1.85 -1.25 -4.53 116.66 114.08 2kg2 n ARG 100 Ca 0.10 -1.82 -0.09 0.00 -1.00 0.00 0.00 57.85 55.04 2kg2 n ARG 100 Cb 0.52 -1.20 -0.13 0.00 -1.05 0.00 0.00 32.46 30.60 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 1.56 0.10 -3.53 2.89 0.02 -1.93 -3.44 113.55 109.23 2kg2 h SER 101 Ca 0.00 -0.12 -0.52 0.00 -0.84 0.00 0.00 61.79 60.31 2kg2 h SER 101 Cb 0.64 -0.03 -0.03 0.00 0.14 0.00 0.00 62.40 63.12 2kg2 h SER 101 CO 0.00 1.09 0.05 -1.61 -1.14 0.00 0.00 176.83 175.22 2kg2 s GLU 102 N -2.68 4.10 0.00 3.45 0.41 -1.26 -5.03 118.70 117.69 2kg2 s GLU 102 Ca -0.01 0.70 0.00 0.00 -0.41 0.00 0.00 54.97 55.25 2kg2 s GLU 102 Cb 0.09 -2.78 0.00 0.00 -1.78 0.00 0.00 34.13 29.66 2kg2 s GLU 102 CO 0.83 0.36 0.00 -0.85 -0.49 0.00 0.00 175.26 175.11 2kg2 n GLU 103 N 0.46 0.00 -4.50 1.61 0.00 -1.26 -4.89 120.64 112.06 2kg2 n GLU 103 Ca -0.02 0.07 -0.34 0.00 0.00 0.00 0.00 57.16 56.87 2kg2 n GLU 103 Cb 0.52 -0.37 -0.12 0.00 0.00 0.00 0.00 31.44 31.46 2kg2 n GLU 103 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.13 177.67 2kg2 s VAL 104 N -0.46 3.80 0.18 3.84 0.11 -1.26 -1.34 120.40 125.27 2kg2 s VAL 104 Ca 0.00 -0.41 0.03 0.00 -2.93 0.00 0.00 61.98 58.67 2kg2 s VAL 104 Cb 0.00 -2.62 -0.05 0.00 -1.53 0.00 0.00 36.38 32.18 2kg2 s VAL 104 CO 0.00 0.54 -0.04 0.68 -3.33 0.00 0.00 175.10 172.95 2kg2 s VAL 105 N -0.10 0.99 -0.17 2.04 -7.23 0.29 -4.98 120.40 111.24 2kg2 s VAL 105 Ca 0.02 -2.03 0.01 0.00 -1.81 0.00 0.00 61.98 58.16 2kg2 s VAL 105 Cb -0.13 -2.08 0.03 0.00 0.56 0.00 0.00 36.38 34.76 2kg2 s VAL 105 CO 0.03 -0.54 -0.13 -0.13 -0.31 0.00 0.00 175.10 174.02 2kg2 s ARG 106 N -3.83 2.25 0.16 4.82 0.52 -1.26 -1.23 118.95 120.38 2kg2 s ARG 106 Ca 0.22 -0.72 0.11 0.00 -0.52 0.00 0.00 55.73 54.83 2kg2 s ARG 106 Cb 0.05 -2.29 -0.04 0.00 0.52 0.00 0.00 34.95 33.18 2kg2 s ARG 106 CO 0.04 -0.32 -0.24 -0.51 0.02 0.00 0.00 175.30 174.29 2kg2 s LEU 107 N 1.42 2.42 -0.11 2.53 2.01 -0.05 -0.36 118.68 126.55 2kg2 s LEU 107 Ca 0.02 -0.80 0.02 0.00 0.01 0.00 0.00 54.13 53.39 2kg2 s LEU 107 Cb -0.14 -1.23 -0.01 0.00 0.01 0.00 0.00 46.19 44.82 2kg2 s LEU 107 CO -0.10 0.15 -0.18 -0.76 1.01 0.00 0.00 176.35 176.46 2kg2 s LEU 108 N -2.41 2.42 0.10 1.79 1.02 0.15 0.33 118.68 122.07 2kg2 s LEU 108 Ca 0.18 -0.43 0.04 0.00 0.02 0.00 0.00 54.13 53.95 2kg2 s LEU 108 Cb -0.09 -1.51 -0.03 0.00 0.02 0.00 0.00 46.19 44.58 2kg2 s LEU 108 CO 0.09 0.18 -0.12 0.68 0.02 0.00 0.00 176.35 177.20 2kg2 s VAL 109 N 0.23 1.04 0.02 -1.59 -7.23 -0.47 0.15 120.40 112.56 2kg2 s VAL 109 Ca -0.12 -1.57 0.03 0.00 -1.81 0.00 0.00 61.98 58.51 2kg2 s VAL 109 Cb -0.16 -1.31 -0.04 0.00 0.56 0.00 0.00 36.38 35.43 2kg2 s VAL 109 CO 0.06 -0.46 -0.05 0.42 -0.31 0.00 0.00 175.10 174.77 2kg2 s THR 110 N -2.11 3.79 -0.42 5.32 -4.23 -0.53 -0.89 115.64 116.56 2kg2 s THR 110 Ca 0.04 -0.79 -0.16 0.00 -1.18 0.00 0.00 61.69 59.60 2kg2 s THR 110 Cb -0.05 -2.68 0.02 0.00 1.34 0.00 0.00 72.50 71.13 2kg2 s THR 110 CO 0.01 0.34 0.39 -0.13 -0.54 0.00 0.00 174.62 174.69 2kg2 s ARG 111 N -1.60 3.06 -0.11 3.99 1.81 0.13 -2.52 118.95 123.71 2kg2 s ARG 111 Ca 0.19 -0.85 0.16 0.00 -1.72 0.00 0.00 55.73 53.51 2kg2 s ARG 111 Cb -0.11 -3.97 0.58 0.00 -0.45 0.00 0.00 34.95 31.00 2kg2 s ARG 111 CO 0.10 -0.81 1.50 1.04 -0.68 0.00 0.00 175.30 176.44 2kg2 n GLN 112 N 5.45 3.38 0.00 3.54 1.13 -1.26 -3.25 117.38 126.36 2kg2 n GLN 112 Ca -0.09 -2.69 0.00 0.00 -1.94 0.00 0.00 57.00 52.28 2kg2 n GLN 112 Cb 0.47 -1.75 0.00 0.00 0.11 0.00 0.00 30.24 29.08 2kg2 n GLN 112 CO 0.00 0.00 0.00 -1.13 -1.44 0.00 0.00 177.06 174.49 2kg2 n SER 113 N 0.57 0.27 -1.00 1.08 3.41 -1.26 -4.95 113.62 111.74 2kg2 n SER 113 Ca 0.21 -1.73 0.00 0.00 -0.26 0.00 0.00 58.87 57.10 2kg2 n SER 113 Cb 0.79 -0.13 0.00 0.00 -0.26 0.00 0.00 64.21 64.61 2kg2 n SER 113 CO 0.00 0.00 0.00 -0.11 -0.16 0.00 0.00 175.04 174.77 2kg2 n LEU 114 N -0.33 -1.70 -4.72 1.04 7.94 -1.26 -4.88 117.00 113.09 2kg2 n LEU 114 Ca 0.00 1.91 -0.41 0.00 -1.11 0.00 0.00 56.01 56.40 2kg2 n LEU 114 Cb 0.07 -1.52 -0.04 0.00 0.53 0.00 0.00 43.42 42.46 2kg2 n LEU 114 CO 0.00 0.19 0.62 -1.10 -1.11 0.00 0.00 177.39 175.99 2kg2 s GLN 115 N -4.63 4.60 0.28 1.96 -0.21 -1.26 -5.00 119.66 115.39 2kg2 s GLN 115 Ca 0.00 1.35 -0.21 0.00 0.02 0.00 0.00 55.36 56.52 2kg2 s GLN 115 Cb 0.00 -3.41 -0.09 0.00 1.00 0.00 0.00 33.01 30.51 2kg2 s GLN 115 CO 0.00 0.12 0.80 0.15 -2.12 0.00 0.00 175.29 174.25 2kg2 s LYS 116 N 0.39 4.31 0.00 2.91 1.02 -1.26 -4.60 119.74 122.51 2kg2 s LYS 116 Ca 0.47 0.99 0.00 0.00 0.02 0.00 0.00 55.97 57.45 2kg2 s LYS 116 Cb -0.22 -2.75 0.00 0.00 -0.52 0.00 0.00 37.83 34.34 2kg2 s LYS 116 CO 0.27 0.30 0.00 0.00 -0.92 0.00 0.00 175.35 175.01 2kg2 n ALA 117 N 0.45 0.00 -3.23 5.17 0.00 -1.26 -4.79 120.51 116.86 2kg2 n ALA 117 Ca 0.00 0.00 -0.07 0.00 0.00 0.00 0.00 53.44 53.37 2kg2 n ALA 117 Cb 0.51 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.96 2kg2 n ALA 117 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 2kg2 n VAL 118 N 0.00 -8.51 0.03 0.00 0.31 -1.26 -4.93 118.33 103.97 2kg2 n VAL 118 Ca 0.00 -0.08 0.02 0.00 -0.01 0.00 0.00 64.34 64.26 2kg2 n VAL 118 Cb 0.00 -5.95 0.03 0.00 -0.91 0.00 0.00 33.84 27.01 2kg2 n VAL 118 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 2kg2 n GLN 119 N -1.80 1.37 0.00 5.55 6.02 -1.26 -4.58 117.38 122.68 2kg2 n GLN 119 Ca -0.07 -1.23 0.10 0.00 -0.01 0.00 0.00 57.00 55.79 2kg2 n GLN 119 Cb 0.55 -1.07 0.57 0.00 1.02 0.00 0.00 30.24 31.31 2kg2 n GLN 119 CO 0.00 0.00 0.00 1.04 -1.01 0.00 0.00 177.06 177.09 2kg2 n GLN 120 N -0.02 0.88 0.24 -1.09 3.00 -1.26 -2.92 117.38 116.21 2kg2 n GLN 120 Ca 0.03 0.00 0.15 0.00 -0.01 0.00 0.00 57.00 57.17 2kg2 n GLN 120 Cb 0.20 -1.34 0.54 0.00 0.00 0.00 0.00 30.24 29.64 2kg2 n GLN 120 CO 0.00 0.00 0.00 0.77 0.00 0.00 0.00 177.06 177.83 2kg2 h SER 121 N 0.00 0.00 -2.84 1.08 0.02 -2.00 -3.38 113.55 106.43 2kg2 h SER 121 Ca 0.00 0.00 -0.71 0.00 -0.84 0.00 0.00 61.79 60.24 2kg2 h SER 121 Cb 0.00 0.00 -0.20 0.00 0.14 0.00 0.00 62.40 62.34 2kg2 h SER 121 CO 0.00 0.00 0.52 -0.04 -1.14 0.00 0.00 176.83 176.17 2kg2 s MET 122 N -3.51 3.47 -0.03 3.45 -1.94 -1.15 -4.70 119.30 114.90 2kg2 s MET 122 Ca 0.03 -1.78 0.07 0.00 -1.71 0.00 0.00 55.69 52.30 2kg2 s MET 122 Cb 0.08 -4.64 -0.10 0.00 2.01 0.00 0.00 34.83 32.18 2kg2 s MET 122 CO 0.56 -1.63 0.11 1.28 -0.01 0.00 0.00 175.02 175.33 2kg2 n LEU 123 N 6.00 0.00 0.00 -0.03 4.77 -1.26 -5.13 117.00 121.35 2kg2 n LEU 123 Ca 0.14 0.00 0.15 0.00 -0.03 0.00 0.00 56.01 56.27 2kg2 n LEU 123 Cb 0.47 0.06 0.87 0.00 -2.33 0.00 0.00 43.42 42.49 2kg2 n LEU 123 CO 0.49 0.06 1.04 -1.20 -1.33 0.00 0.00 177.39 176.44