#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2kg2 n SER 2 N 0.00 1.17 -2.20 1.61 7.64 -1.26 -5.08 113.62 115.50 2kg2 n SER 2 Ca 0.00 -0.01 -0.01 0.00 1.01 0.00 0.00 58.87 59.87 2kg2 n SER 2 Cb 0.00 0.82 -0.00 0.00 -1.01 0.00 0.00 64.21 64.01 2kg2 n SER 2 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 2kg2 n TYR 3 N -2.62 -2.41 -3.79 1.43 9.36 -1.26 -5.02 117.16 112.86 2kg2 n TYR 3 Ca -0.26 1.12 -0.35 0.00 3.32 0.00 0.00 57.90 61.73 2kg2 n TYR 3 Cb 1.01 -2.98 -0.11 0.00 -0.63 0.00 0.00 39.34 36.63 2kg2 n TYR 3 CO 0.00 0.00 0.00 0.42 0.22 0.00 0.00 176.86 177.50 2kg2 s ILE 4 N -0.88 3.35 0.95 2.97 -1.09 -1.26 -5.10 121.20 120.15 2kg2 s ILE 4 Ca -0.03 -2.75 -0.12 0.00 -2.23 0.00 0.00 60.65 55.52 2kg2 s ILE 4 Cb 0.00 -3.24 0.16 0.00 -1.58 0.00 0.00 42.46 37.80 2kg2 s ILE 4 CO 0.46 -0.80 1.09 -2.16 -1.23 0.00 0.00 174.94 172.30 2kg2 s PRO 5 N 0.26 0.80 -0.31 2.79 0.04 -1.26 -4.90 135.00 132.42 2kg2 s PRO 5 Ca 0.14 0.67 -0.05 0.00 0.04 0.00 0.00 61.00 61.80 2kg2 s PRO 5 Cb -0.22 -1.77 -0.10 0.00 0.04 0.00 0.00 34.50 32.46 2kg2 s PRO 5 CO -0.03 -2.51 3.17 0.41 0.04 0.00 0.00 177.00 178.08 2kg2 n GLY 6 N -1.07 3.73 3.69 0.56 0.00 -1.26 -4.93 105.19 105.90 2kg2 n GLY 6 Ca 0.06 -1.56 -0.42 0.00 0.00 0.00 0.00 46.02 44.10 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 -0.27 4.18 0.02 1.61 0.74 -1.26 -4.94 119.66 119.73 2kg2 s GLN 7 Ca 0.63 2.40 -0.20 0.00 0.05 0.00 0.00 55.36 58.24 2kg2 s GLN 7 Cb 0.34 -3.64 -0.11 0.00 1.10 0.00 0.00 33.01 30.70 2kg2 s GLN 7 CO -0.11 -0.78 1.06 -1.00 -0.55 0.00 0.00 175.29 173.92 2kg2 h PRO 8 N 8.55 -0.68 0.00 1.67 0.13 -1.92 -3.49 132.00 136.26 2kg2 h PRO 8 Ca -0.44 0.05 0.00 0.00 -0.87 0.00 0.00 66.00 64.74 2kg2 h PRO 8 Cb 1.21 0.16 0.00 0.00 0.13 0.00 0.00 31.00 32.49 2kg2 h PRO 8 CO 0.94 -0.46 0.00 1.33 -0.23 0.00 0.00 178.00 179.58 2kg2 n VAL 9 N -4.34 0.00 0.57 1.56 0.24 -1.26 -4.95 118.33 110.15 2kg2 n VAL 9 Ca -0.09 0.00 0.13 0.00 -2.04 0.00 0.00 64.34 62.34 2kg2 n VAL 9 Cb 0.28 0.00 0.40 0.00 -1.47 0.00 0.00 33.84 33.05 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 0.00 -3.85 3.34 1.03 -1.94 -3.41 112.91 108.08 2kg2 h THR 10 Ca 0.00 -0.48 -0.42 0.00 -0.01 0.00 0.00 66.41 65.50 2kg2 h THR 10 Cb 0.00 1.45 -0.30 0.00 -1.07 0.00 0.00 68.15 68.23 2kg2 h THR 10 CO 0.00 0.00 -0.78 0.00 -0.01 0.00 0.00 175.52 174.73 2kg2 s ALA 11 N -3.14 0.82 -0.31 0.00 0.00 -1.26 -1.34 121.76 116.53 2kg2 s ALA 11 Ca 0.10 -0.33 -0.14 0.00 0.00 0.00 0.00 51.96 51.59 2kg2 s ALA 11 Cb 0.11 -0.29 -0.03 0.00 0.00 0.00 0.00 23.12 22.92 2kg2 s ALA 11 CO 0.58 0.14 0.32 0.08 0.00 0.00 0.00 175.76 176.88 2kg2 s VAL 12 N 0.13 5.21 -0.25 0.00 1.01 -1.26 -3.94 120.40 121.30 2kg2 s VAL 12 Ca -0.02 0.20 -0.25 0.00 0.00 0.00 0.00 61.98 61.91 2kg2 s VAL 12 Cb -0.08 -3.72 -0.00 0.00 0.00 0.00 0.00 36.38 32.59 2kg2 s VAL 12 CO 0.00 0.06 0.86 -0.69 0.00 0.00 0.00 175.10 175.33 2kg2 s VAL 13 N 1.95 4.81 0.10 2.92 1.01 -1.26 0.26 120.40 130.19 2kg2 s VAL 13 Ca 0.11 1.61 0.05 0.00 0.00 0.00 0.00 61.98 63.76 2kg2 s VAL 13 Cb -0.16 -4.15 -0.03 0.00 0.00 0.00 0.00 36.38 32.04 2kg2 s VAL 13 CO 0.11 -0.10 -0.14 0.00 0.00 0.00 0.00 175.10 174.97 2kg2 s GLN 14 N 2.91 0.92 0.06 2.72 1.03 0.15 -4.84 119.66 122.61 2kg2 s GLN 14 Ca 0.36 -1.12 -0.07 0.00 0.04 0.00 0.00 55.36 54.58 2kg2 s GLN 14 Cb -0.15 -0.84 -0.05 0.00 0.03 0.00 0.00 33.01 32.00 2kg2 s GLN 14 CO 0.07 0.17 0.32 -0.98 -2.54 0.00 0.00 175.29 172.34 2kg2 s ARG 15 N -2.30 3.63 0.19 9.60 1.04 -1.26 -0.52 118.95 129.32 2kg2 s ARG 15 Ca 0.04 -0.03 0.08 0.00 -1.04 0.00 0.00 55.73 54.78 2kg2 s ARG 15 Cb -0.07 -3.01 -0.04 0.00 -2.04 0.00 0.00 34.95 29.79 2kg2 s ARG 15 CO 0.02 0.58 -0.16 0.08 -0.04 0.00 0.00 175.30 175.79 2kg2 s VAL 16 N -1.41 1.78 -0.26 4.99 1.01 0.17 -4.92 120.40 121.76 2kg2 s VAL 16 Ca 0.32 -2.09 -0.02 0.00 0.00 0.00 0.00 61.98 60.19 2kg2 s VAL 16 Cb -0.13 -1.96 0.12 0.00 0.00 0.00 0.00 36.38 34.42 2kg2 s VAL 16 CO 0.19 -0.48 0.28 -0.70 0.00 0.00 0.00 175.10 174.39 2kg2 s GLU 17 N -3.28 0.28 -0.16 2.72 2.12 -1.26 -1.08 118.70 118.04 2kg2 s GLU 17 Ca 0.20 0.00 -0.18 0.00 0.36 0.00 0.00 54.97 55.35 2kg2 s GLU 17 Cb -0.03 -0.82 -0.04 0.00 0.26 0.00 0.00 34.13 33.51 2kg2 s GLU 17 CO 0.07 -0.89 0.51 0.42 -0.54 0.00 0.00 175.26 174.83 2kg2 s ILE 18 N 2.36 5.14 0.33 -3.70 1.09 -1.08 -4.60 121.20 120.73 2kg2 s ILE 18 Ca 0.09 0.97 0.03 0.00 -1.10 0.00 0.00 60.65 60.64 2kg2 s ILE 18 Cb -0.15 -3.84 -0.02 0.00 -1.06 0.00 0.00 42.46 37.39 2kg2 s ILE 18 CO -0.26 0.24 0.50 -1.00 -0.10 0.00 0.00 174.94 174.32 2kg2 s HIS 19 N 1.23 3.35 -0.19 3.97 3.76 -1.26 -1.63 115.29 124.51 2kg2 s HIS 19 Ca 0.25 0.10 -0.42 0.00 -0.15 0.00 0.00 55.06 54.84 2kg2 s HIS 19 Cb -0.15 -1.90 -0.20 0.00 1.11 0.00 0.00 32.58 31.44 2kg2 s HIS 19 CO 0.10 0.09 1.31 1.17 -0.85 0.00 0.00 174.74 176.56 2kg2 n LYS 20 N -1.70 0.10 -3.81 1.40 4.81 -1.23 -4.73 118.16 113.00 2kg2 n LYS 20 Ca -0.04 0.04 -0.15 0.00 -0.87 0.00 0.00 58.31 57.29 2kg2 n LYS 20 Cb 0.57 -1.55 -0.16 0.00 0.02 0.00 0.00 35.03 33.91 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 1.28 1.22 -0.14 3.14 2.96 -1.26 -4.97 118.68 120.91 2kg2 s LEU 21 Ca 0.96 0.03 -0.08 0.00 -0.22 0.00 0.00 54.13 54.82 2kg2 s LEU 21 Cb -1.33 -0.08 -0.04 0.00 0.50 0.00 0.00 46.19 45.23 2kg2 s LEU 21 CO 0.66 -0.11 0.14 -0.13 -1.32 0.00 0.00 176.35 175.59 2kg2 s ARG 22 N 0.92 3.66 -0.28 1.98 0.52 -1.26 -1.09 118.95 123.40 2kg2 s ARG 22 Ca -0.08 -0.15 0.00 0.00 -0.52 0.00 0.00 55.73 54.98 2kg2 s ARG 22 Cb -0.11 -3.26 0.08 0.00 0.52 0.00 0.00 34.95 32.18 2kg2 s ARG 22 CO -0.02 0.64 0.04 -0.65 0.02 0.00 0.00 175.30 175.32 2kg2 s GLN 23 N -0.62 1.09 5.71 3.54 -0.21 -0.07 -4.90 119.66 124.20 2kg2 s GLN 23 Ca 0.13 -1.10 0.00 0.00 0.02 0.00 0.00 55.36 54.41 2kg2 s GLN 23 Cb -0.12 -2.38 0.00 0.00 1.00 0.00 0.00 33.01 31.51 2kg2 s GLN 23 CO 0.02 -0.82 0.00 0.41 -2.12 0.00 0.00 175.29 172.78 2kg2 n GLY 24 N 4.72 1.45 0.56 3.09 0.00 -1.26 -1.14 105.19 112.61 2kg2 n GLY 24 Ca -0.05 0.10 0.05 0.00 0.00 0.00 0.00 46.02 46.12 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 2.79 -4.22 1.61 1.02 -1.26 -5.00 120.64 115.58 2kg2 n GLU 25 Ca 0.00 -1.95 -0.26 0.00 -0.02 0.00 0.00 57.16 54.93 2kg2 n GLU 25 Cb 0.00 -1.23 -0.07 0.00 -0.02 0.00 0.00 31.44 30.12 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 -0.99 4.37 -0.20 1.62 0.01 -0.29 -5.10 114.94 114.36 2kg2 s ASN 26 Ca 0.20 -1.19 0.01 0.00 -0.71 0.00 0.00 52.86 51.17 2kg2 s ASN 26 Cb 0.10 -0.25 0.04 0.00 0.41 0.00 0.00 41.25 41.56 2kg2 s ASN 26 CO 0.14 -0.64 -0.13 -0.22 -1.51 0.00 0.00 177.10 174.74 2kg2 s LEU 27 N -3.93 2.35 0.06 0.60 2.96 -1.26 -0.90 118.68 118.56 2kg2 s LEU 27 Ca 0.36 -0.87 0.02 0.00 -0.22 0.00 0.00 54.13 53.42 2kg2 s LEU 27 Cb 0.03 -1.33 -0.03 0.00 0.50 0.00 0.00 46.19 45.37 2kg2 s LEU 27 CO 0.20 -0.11 -0.07 -0.63 -1.32 0.00 0.00 176.35 174.42 2kg2 s ILE 28 N 1.34 0.57 -2.00 6.68 1.01 -0.25 -4.26 121.20 124.29 2kg2 s ILE 28 Ca -0.00 -1.38 0.29 0.00 0.00 0.00 0.00 60.65 59.56 2kg2 s ILE 28 Cb -0.16 -0.98 0.83 0.00 0.01 0.00 0.00 42.46 42.16 2kg2 s ILE 28 CO -0.09 -0.57 2.09 0.18 0.00 0.00 0.00 174.94 176.55 2kg2 n LEU 29 N 0.93 0.00 0.00 2.97 4.32 -1.26 -3.97 117.00 119.98 2kg2 n LEU 29 Ca -0.19 0.00 0.00 0.00 -0.02 0.00 0.00 56.01 55.80 2kg2 n LEU 29 Cb 0.57 0.00 0.00 0.00 -1.62 0.00 0.00 43.42 42.37 2kg2 n LEU 29 CO 0.24 0.00 0.00 0.61 -1.22 0.00 0.00 177.39 177.02 2kg2 n GLY 30 N 0.85 2.52 4.03 -0.72 0.00 -1.26 -3.86 105.19 106.75 2kg2 n GLY 30 Ca 0.22 -0.47 -0.20 0.00 0.00 0.00 0.00 46.02 45.58 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 -0.97 1.48 0.19 1.61 -0.71 -1.26 -2.02 117.98 116.29 2kg2 s PHE 31 Ca 0.00 -0.72 -0.05 0.00 -1.04 0.00 0.00 56.93 55.12 2kg2 s PHE 31 Cb 0.00 -2.20 -0.03 0.00 -1.21 0.00 0.00 43.02 39.59 2kg2 s PHE 31 CO 0.00 -1.08 0.21 -1.12 -1.34 0.00 0.00 175.22 171.88 2kg2 s SER 32 N -4.63 0.12 0.30 1.98 0.01 0.92 -4.89 113.70 107.51 2kg2 s SER 32 Ca 0.60 -1.17 0.05 0.00 1.31 0.00 0.00 55.95 56.74 2kg2 s SER 32 Cb -0.06 0.41 -0.06 0.00 0.21 0.00 0.00 66.02 66.52 2kg2 s SER 32 CO 0.38 -0.88 0.01 0.27 0.41 0.00 0.00 173.24 173.43 2kg2 s ILE 33 N -4.07 1.35 -0.12 1.44 -4.36 -1.26 -0.80 121.20 113.37 2kg2 s ILE 33 Ca 0.29 -2.04 0.11 0.00 -0.26 0.00 0.00 60.65 58.74 2kg2 s ILE 33 Cb 0.05 -2.63 -0.15 0.00 1.25 0.00 0.00 42.46 40.98 2kg2 s ILE 33 CO 0.07 -0.14 0.04 0.61 0.24 0.00 0.00 174.94 175.76 2kg2 n GLY 34 N -0.63 -0.60 0.00 6.27 0.00 0.30 -4.56 105.19 105.97 2kg2 n GLY 34 Ca -0.04 -0.20 0.00 0.00 0.00 0.00 0.00 46.02 45.78 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 2.25 3.51 0.00 -0.02 0.00 -1.26 -4.92 105.19 104.75 2kg2 n GLY 35 Ca -0.19 -1.84 0.00 0.00 0.00 0.00 0.00 46.02 43.98 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 -1.36 0.96 0.25 -0.02 0.00 -1.25 -3.70 105.19 100.05 2kg2 n GLY 36 Ca 0.00 0.00 0.12 0.00 0.00 0.00 0.00 46.02 46.14 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 0.55 0.00 -0.61 -2.65 -1.86 -2.21 117.51 110.73 2kg2 h ILE 37 Ca 0.00 -0.79 0.00 0.00 1.03 0.00 0.00 64.86 65.10 2kg2 h ILE 37 Cb 0.00 1.53 0.00 0.00 -2.05 0.00 0.00 36.82 36.30 2kg2 h ILE 37 CO 0.00 0.16 0.00 -0.67 0.03 0.00 0.00 178.15 177.67 2kg2 n ASP 38 N -3.51 0.41 -4.92 2.16 2.03 -1.26 -4.72 116.55 106.73 2kg2 n ASP 38 Ca -0.01 0.63 -0.20 0.00 0.52 0.00 0.00 54.79 55.73 2kg2 n ASP 38 Cb 0.32 -0.70 -0.02 0.00 -0.72 0.00 0.00 41.12 40.00 2kg2 n ASP 38 CO 0.00 0.00 0.00 -1.10 -1.92 0.00 0.00 177.20 174.18 2kg2 s GLN 39 N -3.25 2.64 -0.14 -0.67 -1.52 -0.83 -5.00 119.66 110.89 2kg2 s GLN 39 Ca 0.03 -1.42 -0.01 0.00 -1.95 0.00 0.00 55.36 52.01 2kg2 s GLN 39 Cb 0.08 -2.51 -0.01 0.00 -0.22 0.00 0.00 33.01 30.35 2kg2 s GLN 39 CO 0.27 -0.20 -0.12 0.34 -0.25 0.00 0.00 175.29 175.33 2kg2 s ASP 40 N -4.19 3.99 0.47 5.90 -1.08 -1.26 -4.98 116.67 115.53 2kg2 s ASP 40 Ca 0.50 -0.36 0.16 0.00 -0.52 0.00 0.00 52.55 52.33 2kg2 s ASP 40 Cb -0.05 -1.62 1.15 0.00 -1.46 0.00 0.00 42.92 40.93 2kg2 s ASP 40 CO 0.29 0.13 2.03 1.55 0.52 0.00 0.00 175.17 179.69 2kg2 h PRO 41 N 6.96 0.24 -0.14 4.34 0.13 -1.91 -2.09 132.00 139.53 2kg2 h PRO 41 Ca -0.29 -0.01 -0.07 0.00 -0.87 0.00 0.00 66.00 64.76 2kg2 h PRO 41 Cb 1.20 -0.05 -0.01 0.00 0.13 0.00 0.00 31.00 32.27 2kg2 h PRO 41 CO 0.57 0.16 -0.21 1.03 -0.23 0.00 0.00 178.00 179.31 2kg2 h SER 42 N 0.25 0.23 -0.48 1.44 0.87 -1.91 -1.70 113.55 112.25 2kg2 h SER 42 Ca 0.20 -0.06 0.00 0.00 -1.23 0.00 0.00 61.79 60.70 2kg2 h SER 42 Cb 0.48 -0.06 0.00 0.00 -0.44 0.00 0.00 62.40 62.38 2kg2 h SER 42 CO -0.04 0.46 0.00 0.00 -0.53 0.00 0.00 176.83 176.72 2kg2 n GLN 43 N -4.20 3.20 -4.42 2.24 10.64 -0.82 -4.83 117.38 119.20 2kg2 n GLN 43 Ca -0.01 -2.58 -0.31 0.00 -1.83 0.00 0.00 57.00 52.27 2kg2 n GLN 43 Cb 0.33 -1.64 -0.11 0.00 -0.86 0.00 0.00 30.24 27.96 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 -1.15 4.44 0.03 2.61 0.01 -0.84 -4.96 114.94 115.08 2kg2 s ASN 44 Ca 0.40 -0.26 -0.26 0.00 -0.71 0.00 0.00 52.86 52.03 2kg2 s ASN 44 Cb 0.26 -0.94 -0.17 0.00 0.41 0.00 0.00 41.25 40.81 2kg2 s ASN 44 CO 0.20 0.25 1.39 1.55 -1.51 0.00 0.00 177.10 178.97 2kg2 h PRO 45 N 4.25 -0.34 -0.09 -0.60 0.13 -1.92 -1.03 132.00 132.40 2kg2 h PRO 45 Ca -0.48 0.02 0.00 0.00 -0.87 0.00 0.00 66.00 64.67 2kg2 h PRO 45 Cb 1.16 0.08 0.00 0.00 0.13 0.00 0.00 31.00 32.37 2kg2 h PRO 45 CO 0.52 -0.07 0.00 1.19 -0.23 0.00 0.00 178.00 179.42 2kg2 n PHE 46 N -5.14 0.08 0.81 1.56 3.72 -1.26 -3.89 117.46 113.34 2kg2 n PHE 46 Ca -0.09 -0.04 0.09 0.00 -0.05 0.00 0.00 57.45 57.35 2kg2 n PHE 46 Cb 0.23 -0.00 -0.11 0.00 -0.94 0.00 0.00 39.48 38.66 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 1.29 0.86 0.14 4.37 2.88 -1.20 -3.57 113.62 118.39 2kg2 n SER 47 Ca 0.14 -0.87 -0.01 0.00 -1.33 0.00 0.00 58.87 56.81 2kg2 n SER 47 Cb 0.57 1.07 0.20 0.00 -0.75 0.00 0.00 64.21 65.30 2kg2 n SER 47 CO 0.00 0.00 0.00 1.05 -1.23 0.00 0.00 175.04 174.86 2kg2 h GLU 48 N 0.00 0.00 0.19 -1.46 4.11 -0.30 -3.04 114.58 114.08 2kg2 h GLU 48 Ca 0.00 -0.00 -0.33 0.00 0.07 0.00 0.00 59.36 59.10 2kg2 h GLU 48 Cb 0.47 0.00 0.01 0.00 0.50 0.00 0.00 28.75 29.74 2kg2 h GLU 48 CO 0.00 0.58 -1.57 0.22 0.07 0.00 0.00 179.01 178.31 2kg2 h ASP 49 N 0.00 0.62 -3.27 3.06 3.58 -1.79 -3.44 116.42 115.18 2kg2 h ASP 49 Ca -0.01 -0.79 -0.55 0.00 0.42 0.00 0.00 57.03 56.10 2kg2 h ASP 49 Cb 1.02 -0.20 -0.37 0.00 1.72 0.00 0.00 39.33 41.49 2kg2 h ASP 49 CO 0.07 1.64 -0.80 -0.54 -2.88 0.00 0.00 179.24 176.74 2kg2 s LYS 50 N -2.60 1.59 0.00 0.28 1.02 -1.15 -5.00 119.74 113.88 2kg2 s LYS 50 Ca -0.11 -0.46 0.09 0.00 0.02 0.00 0.00 55.97 55.51 2kg2 s LYS 50 Cb 0.05 -1.92 0.39 0.00 -0.52 0.00 0.00 37.83 35.83 2kg2 s LYS 50 CO 0.89 -0.36 1.27 0.25 -0.92 0.00 0.00 175.35 176.48 2kg2 n THR 51 N 4.87 0.15 -2.69 2.17 -2.24 -1.24 -4.32 114.28 110.99 2kg2 n THR 51 Ca -0.13 -0.17 -0.42 0.00 -2.27 0.00 0.00 64.05 61.06 2kg2 n THR 51 Cb 0.49 0.05 -0.03 0.00 -2.10 0.00 0.00 70.33 68.74 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 -1.18 6.39 0.70 3.42 -1.08 -1.26 -4.92 116.67 118.74 2kg2 s ASP 52 Ca 0.16 -0.11 -0.11 0.00 -0.52 0.00 0.00 52.55 51.97 2kg2 s ASP 52 Cb 0.08 -2.50 0.01 0.00 -1.46 0.00 0.00 42.92 39.05 2kg2 s ASP 52 CO 0.12 -1.39 1.06 -0.54 0.52 0.00 0.00 175.17 174.94 2kg2 s LYS 53 N 4.55 2.88 0.00 4.34 1.02 -1.26 -4.99 119.74 126.28 2kg2 s LYS 53 Ca 0.37 0.97 0.00 0.00 0.02 0.00 0.00 55.97 57.34 2kg2 s LYS 53 Cb -0.10 -1.98 0.00 0.00 -0.52 0.00 0.00 37.83 35.23 2kg2 s LYS 53 CO 0.22 -1.14 0.00 0.41 -0.92 0.00 0.00 175.35 173.92 2kg2 n GLY 54 N -1.93 4.25 3.71 -3.33 0.00 -1.26 -4.80 105.19 101.84 2kg2 n GLY 54 Ca 0.08 -1.10 -0.42 0.00 0.00 0.00 0.00 46.02 44.57 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 2.76 0.13 -0.61 -1.09 -1.24 -4.01 121.20 115.13 2kg2 s ILE 55 Ca 0.00 0.44 0.06 0.00 -2.23 0.00 0.00 60.65 58.91 2kg2 s ILE 55 Cb 0.00 -3.28 -0.04 0.00 -1.58 0.00 0.00 42.46 37.56 2kg2 s ILE 55 CO 0.00 0.02 -0.13 -0.72 -1.23 0.00 0.00 174.94 172.88 2kg2 s TYR 56 N 1.77 1.36 -0.04 3.97 -0.85 -1.25 -0.21 117.35 122.11 2kg2 s TYR 56 Ca 0.72 -0.59 -0.25 0.00 -0.52 0.00 0.00 57.07 56.43 2kg2 s TYR 56 Cb -0.42 -0.71 -0.04 0.00 0.38 0.00 0.00 41.96 41.17 2kg2 s TYR 56 CO 0.32 0.13 0.77 0.08 -1.52 0.00 0.00 175.55 175.33 2kg2 s VAL 57 N -2.33 4.98 -0.02 -3.49 1.01 -0.11 -0.54 120.40 119.90 2kg2 s VAL 57 Ca 0.10 1.59 0.14 0.00 0.00 0.00 0.00 61.98 63.81 2kg2 s VAL 57 Cb -0.04 -4.11 -0.22 0.00 0.00 0.00 0.00 36.38 32.02 2kg2 s VAL 57 CO 0.03 0.24 0.30 0.35 0.00 0.00 0.00 175.10 176.02 2kg2 n THR 58 N 3.71 0.00 -3.86 3.92 -2.24 0.02 -0.29 114.28 115.53 2kg2 n THR 58 Ca 0.00 -0.32 -0.12 0.00 -2.27 0.00 0.00 64.05 61.35 2kg2 n THR 58 Cb 0.51 0.18 -0.12 0.00 -2.10 0.00 0.00 70.33 68.80 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 -2.96 0.21 0.04 -0.78 3.52 -1.14 -4.85 118.95 112.99 2kg2 s ARG 59 Ca -0.05 -0.07 0.05 0.00 -0.13 0.00 0.00 55.73 55.53 2kg2 s ARG 59 Cb 0.09 0.09 -0.02 0.00 -1.56 0.00 0.00 34.95 33.55 2kg2 s ARG 59 CO 0.58 -0.04 -0.16 0.08 -0.81 0.00 0.00 175.30 174.95 2kg2 s VAL 60 N -0.43 1.27 0.14 7.11 1.01 -1.26 -0.06 120.40 128.18 2kg2 s VAL 60 Ca -0.05 -1.02 -0.32 0.00 0.00 0.00 0.00 61.98 60.60 2kg2 s VAL 60 Cb -0.03 -1.13 -0.11 0.00 0.00 0.00 0.00 36.38 35.11 2kg2 s VAL 60 CO 0.00 0.10 1.80 -0.24 0.00 0.00 0.00 175.10 176.76 2kg2 n SER 61 N 1.97 3.96 0.27 3.32 2.88 -0.86 -4.85 113.62 120.31 2kg2 n SER 61 Ca -0.17 1.01 0.11 0.00 -1.33 0.00 0.00 58.87 58.49 2kg2 n SER 61 Cb 0.54 -1.54 0.73 0.00 -0.75 0.00 0.00 64.21 63.19 2kg2 n SER 61 CO 0.00 0.00 0.00 1.05 -1.23 0.00 0.00 175.04 174.86 2kg2 h GLU 62 N 7.99 0.00 -0.69 -1.46 9.09 -1.99 -3.26 114.58 124.27 2kg2 h GLU 62 Ca -0.46 0.00 -0.32 0.00 0.05 0.00 0.00 59.36 58.64 2kg2 h GLU 62 Cb 1.22 0.00 -0.29 0.00 -1.65 0.00 0.00 28.75 28.03 2kg2 h GLU 62 CO 0.95 0.09 -0.83 0.41 0.05 0.00 0.00 179.01 179.67 2kg2 n GLY 63 N -1.02 1.63 0.87 1.06 0.00 -1.26 -4.99 105.19 101.47 2kg2 n GLY 63 Ca -0.02 -0.80 -0.06 0.00 0.00 0.00 0.00 46.02 45.13 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 -0.15 3.84 0.23 -0.02 0.00 -1.23 -5.04 105.19 102.82 2kg2 n GLY 64 Ca 0.07 -1.90 0.08 0.00 0.00 0.00 0.00 46.02 44.27 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 0.88 1.61 0.13 -1.85 -1.98 132.00 130.80 2kg2 h PRO 65 Ca -0.08 0.00 -0.04 0.00 -0.87 0.00 0.00 66.00 65.01 2kg2 h PRO 65 Cb 0.32 0.00 0.01 0.00 0.13 0.00 0.00 31.00 31.46 2kg2 h PRO 65 CO 0.12 0.18 -0.42 0.00 -0.23 0.00 0.00 178.00 177.65 2kg2 h ALA 66 N 1.82 -1.19 -0.05 -0.56 0.00 -1.88 0.98 119.26 118.38 2kg2 h ALA 66 Ca -0.00 -0.26 -0.10 0.00 0.00 0.00 0.00 54.91 54.54 2kg2 h ALA 66 Cb 0.37 0.46 -0.01 0.00 0.00 0.00 0.00 17.79 18.60 2kg2 h ALA 66 CO 0.02 -1.16 -0.44 1.05 0.00 0.00 0.00 179.25 178.73 2kg2 h GLU 67 N -1.21 0.12 -0.07 0.00 -0.00 -1.61 0.32 114.58 112.14 2kg2 h GLU 67 Ca -0.12 -0.06 0.00 0.00 -0.00 0.00 0.00 59.36 59.18 2kg2 h GLU 67 Cb 0.91 -0.00 -0.00 0.00 -0.00 0.00 0.00 28.75 29.66 2kg2 h GLU 67 CO 0.20 0.54 0.03 0.82 -0.00 0.00 0.00 179.01 180.61 2kg2 h ILE 68 N 0.10 1.00 -0.06 -1.06 1.08 -1.25 -3.22 117.51 114.11 2kg2 h ILE 68 Ca 0.01 -0.03 -0.04 0.00 -0.39 0.00 0.00 64.86 64.41 2kg2 h ILE 68 Cb 0.82 0.92 0.00 0.00 -3.07 0.00 0.00 36.82 35.50 2kg2 h ILE 68 CO 0.06 0.01 -0.12 0.00 -0.69 0.00 0.00 178.15 177.42 2kg2 h ALA 69 N 1.03 0.10 0.00 1.87 0.00 -0.61 -3.47 119.26 118.17 2kg2 h ALA 69 Ca 0.03 -0.34 0.00 0.00 0.00 0.00 0.00 54.91 54.60 2kg2 h ALA 69 Cb -0.00 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 17.77 2kg2 h ALA 69 CO -0.02 -0.02 0.00 0.41 0.00 0.00 0.00 179.25 179.62 2kg2 n GLY 70 N 0.44 0.00 3.66 0.00 0.00 -0.31 -4.77 105.19 104.21 2kg2 n GLY 70 Ca -0.08 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.53 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 4.15 0.18 0.99 2.96 0.98 -4.98 118.68 122.96 2kg2 s LEU 71 Ca 0.00 1.05 0.09 0.00 -0.22 0.00 0.00 54.13 55.05 2kg2 s LEU 71 Cb 0.00 -3.13 -0.04 0.00 0.50 0.00 0.00 46.19 43.52 2kg2 s LEU 71 CO 0.00 -0.38 -0.12 -1.10 -1.32 0.00 0.00 176.35 173.42 2kg2 s GLN 72 N 2.20 1.95 0.05 1.98 -1.52 -1.26 -3.96 119.66 119.11 2kg2 s GLN 72 Ca 0.35 -1.30 -0.30 0.00 -1.95 0.00 0.00 55.36 52.15 2kg2 s GLN 72 Cb -0.16 -2.11 -0.08 0.00 -0.22 0.00 0.00 33.01 30.45 2kg2 s GLN 72 CO 0.11 0.43 1.65 0.42 -0.25 0.00 0.00 175.29 177.65 2kg2 s ILE 73 N -1.66 3.16 0.00 1.08 1.01 -1.26 -2.43 121.20 121.10 2kg2 s ILE 73 Ca 0.24 0.54 0.00 0.00 0.00 0.00 0.00 60.65 61.43 2kg2 s ILE 73 Cb -0.09 -3.35 0.00 0.00 0.01 0.00 0.00 42.46 39.03 2kg2 s ILE 73 CO 0.14 -0.01 0.00 0.61 0.00 0.00 0.00 174.94 175.68 2kg2 n GLY 74 N 4.01 1.88 3.72 6.18 0.00 0.60 -5.00 105.19 116.58 2kg2 n GLY 74 Ca 0.16 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.76 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 -1.81 6.76 -0.16 1.61 1.01 -1.02 -4.71 116.67 118.34 2kg2 s ASP 75 Ca 0.00 2.43 -0.18 0.00 0.71 0.00 0.00 52.55 55.52 2kg2 s ASP 75 Cb 0.00 -2.59 -0.04 0.00 1.01 0.00 0.00 42.92 41.30 2kg2 s ASP 75 CO 0.00 -0.69 0.47 -0.54 0.21 0.00 0.00 175.17 174.62 2kg2 s LYS 76 N 0.90 4.26 -0.18 8.23 1.02 -1.13 -0.94 119.74 131.90 2kg2 s LYS 76 Ca 0.65 0.38 -0.15 0.00 0.02 0.00 0.00 55.97 56.87 2kg2 s LYS 76 Cb -0.39 -3.50 -0.04 0.00 -0.52 0.00 0.00 37.83 33.38 2kg2 s LYS 76 CO 0.32 0.02 0.36 0.42 -0.92 0.00 0.00 175.35 175.55 2kg2 s ILE 77 N 1.09 5.24 -0.03 2.17 1.09 0.71 -0.17 121.20 131.31 2kg2 s ILE 77 Ca 0.24 0.66 0.18 0.00 -1.10 0.00 0.00 60.65 60.63 2kg2 s ILE 77 Cb -0.15 -3.70 -0.28 0.00 -1.06 0.00 0.00 42.46 37.28 2kg2 s ILE 77 CO 0.09 0.32 0.38 0.23 -0.10 0.00 0.00 174.94 175.86 2kg2 n MET 78 N 4.02 0.58 -3.69 2.79 2.81 0.39 -3.57 117.12 120.46 2kg2 n MET 78 Ca -0.10 -0.16 -0.10 0.00 -1.81 0.00 0.00 57.70 55.54 2kg2 n MET 78 Cb 0.51 -1.43 -0.10 0.00 -0.71 0.00 0.00 33.22 31.49 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 -3.21 0.42 -0.11 0.03 2.00 -1.09 -0.28 119.66 117.43 2kg2 s GLN 79 Ca -0.07 0.85 -0.03 0.00 -2.00 0.00 0.00 55.36 54.12 2kg2 s GLN 79 Cb 0.11 0.01 0.04 0.00 0.80 0.00 0.00 33.01 33.97 2kg2 s GLN 79 CO 0.75 -0.16 0.04 0.08 -0.50 0.00 0.00 175.29 175.49 2kg2 s VAL 80 N 1.48 0.21 -1.51 1.34 1.01 0.48 0.32 120.40 123.74 2kg2 s VAL 80 Ca -0.09 -0.02 -0.12 0.00 0.00 0.00 0.00 61.98 61.75 2kg2 s VAL 80 Cb -0.08 -0.57 0.07 0.00 0.00 0.00 0.00 36.38 35.80 2kg2 s VAL 80 CO -0.14 0.03 0.93 -3.20 0.00 0.00 0.00 175.10 172.72 2kg2 n ASN 81 N 5.18 -4.15 0.00 3.32 4.05 0.14 -0.42 115.26 123.39 2kg2 n ASN 81 Ca -0.07 -0.80 0.00 0.00 0.45 0.00 0.00 54.58 54.17 2kg2 n ASN 81 Cb 0.49 -3.85 0.00 0.00 1.23 0.00 0.00 39.78 37.65 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 -1.68 0.81 3.55 8.20 0.00 -1.26 -4.95 105.19 109.87 2kg2 n GLY 82 Ca -0.01 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.71 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 -3.23 2.67 0.16 1.61 1.48 0.45 -5.10 118.94 116.98 2kg2 s TRP 83 Ca 0.00 -0.19 -0.30 0.00 -1.06 0.00 0.00 56.10 54.55 2kg2 s TRP 83 Cb 0.00 -1.40 -0.07 0.00 -1.16 0.00 0.00 33.47 30.84 2kg2 s TRP 83 CO 0.00 0.42 0.95 0.16 -4.06 0.00 0.00 176.95 174.41 2kg2 s ASP 84 N -2.21 7.55 0.00 -2.66 -4.77 -1.26 -0.39 116.67 112.93 2kg2 s ASP 84 Ca 0.20 1.85 0.04 0.00 -3.30 0.00 0.00 52.55 51.34 2kg2 s ASP 84 Cb -0.11 -2.59 -0.02 0.00 -1.09 0.00 0.00 42.92 39.11 2kg2 s ASP 84 CO 0.13 0.03 0.29 0.80 0.70 0.00 0.00 175.17 177.12 2kg2 n MET 85 N 2.26 3.98 -0.09 2.11 1.56 0.62 -4.65 117.12 122.91 2kg2 n MET 85 Ca 0.00 -0.22 0.06 0.00 -0.27 0.00 0.00 57.70 57.27 2kg2 n MET 85 Cb 0.48 -0.79 0.40 0.00 2.15 0.00 0.00 33.22 35.47 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 0.23 1.05 -2.68 1.12 1.03 -1.35 -3.33 112.91 108.97 2kg2 h THR 86 Ca 0.00 -0.22 -0.58 0.00 -0.01 0.00 0.00 66.41 65.60 2kg2 h THR 86 Cb 0.11 0.37 -0.39 0.00 -1.07 0.00 0.00 68.15 67.16 2kg2 h THR 86 CO 0.00 0.11 -0.82 -0.32 -0.01 0.00 0.00 175.52 174.48 2kg2 s MET 87 N -5.56 0.65 -0.01 0.00 -2.45 -1.26 -4.37 119.30 106.30 2kg2 s MET 87 Ca -0.09 -1.37 -0.21 0.00 -1.25 0.00 0.00 55.69 52.77 2kg2 s MET 87 Cb 0.18 -1.48 0.04 0.00 1.25 0.00 0.00 34.83 34.83 2kg2 s MET 87 CO 0.75 -1.18 0.47 0.54 1.05 0.00 0.00 175.02 176.65 2kg2 s VAL 88 N 1.05 0.04 0.68 10.11 0.11 -1.26 -5.06 120.40 126.07 2kg2 s VAL 88 Ca 0.17 -0.30 -0.11 0.00 -2.93 0.00 0.00 61.98 58.81 2kg2 s VAL 88 Cb -0.23 -0.84 0.00 0.00 -1.53 0.00 0.00 36.38 33.78 2kg2 s VAL 88 CO -0.03 -0.17 1.06 0.42 -3.33 0.00 0.00 175.10 173.05 2kg2 s THR 89 N -1.66 4.08 0.24 5.04 -4.23 -1.26 -3.57 115.64 114.27 2kg2 s THR 89 Ca -0.10 0.70 -0.05 0.00 -1.18 0.00 0.00 61.69 61.05 2kg2 s THR 89 Cb -0.02 -3.44 0.20 0.00 1.34 0.00 0.00 72.50 70.58 2kg2 s THR 89 CO 0.04 -0.86 1.81 -0.74 -0.54 0.00 0.00 174.62 174.33 2kg2 h HIS 90 N -0.59 0.81 0.36 3.99 2.76 -1.91 -0.70 115.15 119.87 2kg2 h HIS 90 Ca -0.44 0.03 -0.01 0.00 -2.20 0.00 0.00 60.37 57.75 2kg2 h HIS 90 Cb 1.21 -0.25 -0.00 0.00 1.55 0.00 0.00 27.41 29.92 2kg2 h HIS 90 CO 0.62 0.34 -0.20 0.22 -1.30 0.00 0.00 177.93 177.61 2kg2 h ASP 91 N 0.77 -0.50 0.40 3.26 3.58 -1.99 0.20 116.42 122.13 2kg2 h ASP 91 Ca 0.38 0.03 -0.09 0.00 0.42 0.00 0.00 57.03 57.77 2kg2 h ASP 91 Cb 0.33 0.14 -0.01 0.00 1.72 0.00 0.00 39.33 41.51 2kg2 h ASP 91 CO -0.24 -0.33 -0.41 1.56 -2.88 0.00 0.00 179.24 176.95 2kg2 h GLN 92 N -0.53 0.02 -0.14 0.28 7.50 -1.88 -2.32 115.11 118.04 2kg2 h GLN 92 Ca -0.04 -0.01 -0.11 0.00 0.50 0.00 0.00 58.65 59.00 2kg2 h GLN 92 Cb 0.43 -0.00 0.00 0.00 0.05 0.00 0.00 27.48 27.96 2kg2 h GLN 92 CO 0.05 0.42 -0.32 0.00 -1.50 0.00 0.00 178.83 177.48 2kg2 h ALA 93 N 1.58 0.23 -0.71 3.87 0.00 -0.85 -3.20 119.26 120.18 2kg2 h ALA 93 Ca -0.00 -0.42 0.04 0.00 0.00 0.00 0.00 54.91 54.53 2kg2 h ALA 93 Cb 0.73 -0.03 -0.05 0.00 0.00 0.00 0.00 17.79 18.44 2kg2 h ALA 93 CO 0.05 0.27 0.43 0.00 0.00 0.00 0.00 179.25 180.01 2kg2 h ARG 94 N 0.08 0.80 -1.69 0.00 2.47 -0.22 0.16 114.38 115.98 2kg2 h ARG 94 Ca -0.00 -0.05 -0.22 0.00 -1.26 0.00 0.00 59.98 58.45 2kg2 h ARG 94 Cb 0.93 -0.18 -0.09 0.00 -1.65 0.00 0.00 29.97 28.97 2kg2 h ARG 94 CO 0.07 0.53 0.27 1.63 0.56 0.00 0.00 179.97 183.04 2kg2 n LYS 95 N -4.69 1.56 0.00 0.04 4.01 -0.91 -1.04 118.16 117.13 2kg2 n LYS 95 Ca 0.08 -1.08 0.00 0.00 -0.51 0.00 0.00 58.31 56.80 2kg2 n LYS 95 Cb 0.12 -1.44 0.00 0.00 -0.51 0.00 0.00 35.03 33.21 2kg2 n LYS 95 CO 0.00 0.00 0.00 -2.13 -1.11 0.00 0.00 177.40 174.16 2kg2 n ARG 96 N 0.75 0.00 -0.06 1.97 3.00 -0.39 -4.80 116.66 117.14 2kg2 n ARG 96 Ca 0.21 0.00 -0.02 0.00 -0.00 0.00 0.00 57.85 58.04 2kg2 n ARG 96 Cb 0.56 -0.11 -0.16 0.00 0.00 0.00 0.00 32.46 32.75 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 -2.06 0.07 -0.74 6.15 -0.00 0.44 -4.22 117.00 116.65 2kg2 n LEU 97 Ca 0.00 0.03 0.08 0.00 -0.00 0.00 0.00 56.01 56.12 2kg2 n LEU 97 Cb 0.00 0.29 0.22 0.00 -0.00 0.00 0.00 43.42 43.92 2kg2 n LEU 97 CO 0.00 0.30 0.67 1.07 -0.00 0.00 0.00 177.39 179.43 2kg2 n THR 98 N -2.59 1.89 -1.39 1.47 5.66 -0.21 -4.39 114.28 114.73 2kg2 n THR 98 Ca -0.21 -1.65 -0.31 0.00 -3.05 0.00 0.00 64.05 58.83 2kg2 n THR 98 Cb 0.93 -0.04 0.09 0.00 -1.55 0.00 0.00 70.33 69.76 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 -2.30 2.28 0.00 1.09 -2.85 -1.01 -4.91 119.74 112.03 2kg2 s LYS 99 Ca 0.35 0.97 0.06 0.00 -1.00 0.00 0.00 55.97 56.36 2kg2 s LYS 99 Cb 0.27 -1.91 0.18 0.00 -2.06 0.00 0.00 37.83 34.30 2kg2 s LYS 99 CO 0.10 -1.57 1.14 2.89 0.10 0.00 0.00 175.35 178.01 2kg2 n ARG 100 N -3.45 2.83 0.06 1.78 1.85 -1.26 -4.49 116.66 113.98 2kg2 n ARG 100 Ca 0.08 -1.80 -0.08 0.00 -1.00 0.00 0.00 57.85 55.05 2kg2 n ARG 100 Cb 0.54 -1.16 -0.12 0.00 -1.05 0.00 0.00 32.46 30.67 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 1.22 0.04 -2.60 2.89 0.02 -1.93 -3.46 113.55 109.73 2kg2 h SER 101 Ca 0.00 -0.04 -0.57 0.00 -0.84 0.00 0.00 61.79 60.33 2kg2 h SER 101 Cb 0.63 -0.01 -0.09 0.00 0.14 0.00 0.00 62.40 63.06 2kg2 h SER 101 CO 0.00 1.03 -0.63 -0.70 -1.14 0.00 0.00 176.83 175.40 2kg2 s GLU 102 N -2.70 2.50 -0.01 3.45 2.56 -1.26 -5.08 118.70 118.17 2kg2 s GLU 102 Ca 0.00 -1.15 -0.02 0.00 0.00 0.00 0.00 54.97 53.80 2kg2 s GLU 102 Cb 0.10 -2.37 -0.01 0.00 2.00 0.00 0.00 34.13 33.85 2kg2 s GLU 102 CO 0.83 0.43 -0.04 -0.85 -0.56 0.00 0.00 175.26 175.07 2kg2 n GLU 103 N -0.48 0.06 -3.86 4.30 0.28 -1.26 -4.97 120.64 114.70 2kg2 n GLU 103 Ca -0.08 0.02 -0.36 0.00 -0.16 0.00 0.00 57.16 56.58 2kg2 n GLU 103 Cb 0.56 -0.40 -0.11 0.00 1.43 0.00 0.00 31.44 32.93 2kg2 n GLU 103 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 177.13 177.51 2kg2 s VAL 104 N -1.33 4.71 0.32 3.84 0.11 -1.25 -3.51 120.40 123.29 2kg2 s VAL 104 Ca -0.03 -0.05 0.05 0.00 -2.93 0.00 0.00 61.98 59.02 2kg2 s VAL 104 Cb 0.00 -3.17 -0.06 0.00 -1.53 0.00 0.00 36.38 31.62 2kg2 s VAL 104 CO 0.05 0.39 0.02 0.68 -3.33 0.00 0.00 175.10 172.90 2kg2 s VAL 105 N 1.00 1.44 -0.17 2.04 -7.23 -0.65 -5.00 120.40 111.84 2kg2 s VAL 105 Ca 0.05 -2.03 0.00 0.00 -1.81 0.00 0.00 61.98 58.18 2kg2 s VAL 105 Cb -0.14 -2.73 0.04 0.00 0.56 0.00 0.00 36.38 34.11 2kg2 s VAL 105 CO 0.03 -0.09 -0.08 -0.13 -0.31 0.00 0.00 175.10 174.52 2kg2 s ARG 106 N -3.82 1.75 0.18 4.82 3.00 -1.26 -2.64 118.95 120.98 2kg2 s ARG 106 Ca 0.34 -0.59 0.11 0.00 0.00 0.00 0.00 55.73 55.59 2kg2 s ARG 106 Cb 0.08 -2.09 -0.04 0.00 0.00 0.00 0.00 34.95 32.89 2kg2 s ARG 106 CO 0.15 -0.38 -0.22 -0.51 0.00 0.00 0.00 175.30 174.34 2kg2 s LEU 107 N 1.55 2.52 -0.12 2.53 2.01 -0.24 0.24 118.68 127.18 2kg2 s LEU 107 Ca 0.01 -0.79 0.01 0.00 0.01 0.00 0.00 54.13 53.38 2kg2 s LEU 107 Cb -0.15 -1.28 0.02 0.00 0.01 0.00 0.00 46.19 44.79 2kg2 s LEU 107 CO -0.08 0.13 -0.14 -0.76 1.01 0.00 0.00 176.35 176.50 2kg2 s LEU 108 N -2.57 1.67 0.18 1.79 1.02 0.15 0.46 118.68 121.38 2kg2 s LEU 108 Ca 0.20 -0.43 0.09 0.00 0.02 0.00 0.00 54.13 54.01 2kg2 s LEU 108 Cb -0.09 -1.09 -0.04 0.00 0.02 0.00 0.00 46.19 44.99 2kg2 s LEU 108 CO 0.10 -0.01 -0.19 0.68 0.02 0.00 0.00 176.35 176.95 2kg2 s VAL 109 N 1.17 1.93 -0.24 -1.59 -7.23 0.32 -0.46 120.40 114.30 2kg2 s VAL 109 Ca -0.03 -1.97 -0.12 0.00 -1.81 0.00 0.00 61.98 58.06 2kg2 s VAL 109 Cb -0.14 -1.91 -0.05 0.00 0.56 0.00 0.00 36.38 34.84 2kg2 s VAL 109 CO -0.05 -0.30 0.22 0.42 -0.31 0.00 0.00 175.10 175.09 2kg2 s THR 110 N -2.04 5.31 -0.23 5.32 -4.23 0.76 0.34 115.64 120.88 2kg2 s THR 110 Ca 0.17 0.30 0.26 0.00 -1.18 0.00 0.00 61.69 61.24 2kg2 s THR 110 Cb -0.06 -3.56 0.27 0.00 1.34 0.00 0.00 72.50 70.49 2kg2 s THR 110 CO 0.07 0.31 1.77 -0.09 -0.54 0.00 0.00 174.62 176.15 2kg2 h ARG 111 N 7.61 0.00 -4.80 3.99 9.65 -0.50 -3.00 114.38 127.32 2kg2 h ARG 111 Ca -0.37 0.00 0.00 0.00 -1.10 0.00 0.00 59.98 58.51 2kg2 h ARG 111 Cb 1.17 0.00 0.00 0.00 -1.39 0.00 0.00 29.97 29.75 2kg2 h ARG 111 CO 0.66 0.00 -0.11 1.04 2.80 0.00 0.00 179.97 184.36 2kg2 n GLN 112 N -2.40 -1.25 0.00 0.20 1.13 -1.26 -4.84 117.38 108.96 2kg2 n GLN 112 Ca 0.00 1.41 0.13 0.00 -1.94 0.00 0.00 57.00 56.60 2kg2 n GLN 112 Cb 0.15 -4.77 0.33 0.00 0.11 0.00 0.00 30.24 26.07 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 -1.23 1.47 -4.44 1.08 7.64 -1.21 -4.57 113.62 112.36 2kg2 n SER 113 Ca 0.03 -1.24 -0.44 0.00 1.01 0.00 0.00 58.87 58.23 2kg2 n SER 113 Cb 0.46 0.14 -0.03 0.00 -1.01 0.00 0.00 64.21 63.77 2kg2 n SER 113 CO 0.00 0.00 0.00 -0.22 -3.01 0.00 0.00 175.04 171.81 2kg2 s LEU 114 N -2.32 5.03 0.00 -3.43 2.96 -0.45 -4.82 118.68 115.64 2kg2 s LEU 114 Ca 0.27 -1.81 0.00 0.00 -0.22 0.00 0.00 54.13 52.37 2kg2 s LEU 114 Cb 0.20 -2.39 -0.00 0.00 0.50 0.00 0.00 46.19 44.50 2kg2 s LEU 114 CO 0.46 -1.12 0.00 0.00 -1.32 0.00 0.00 176.35 174.37 2kg2 n GLN 115 N 6.65 1.68 -2.44 1.98 6.02 -1.26 -5.04 117.38 124.97 2kg2 n GLN 115 Ca 0.15 -0.36 -0.24 0.00 -0.01 0.00 0.00 57.00 56.53 2kg2 n GLN 115 Cb 0.48 0.12 0.05 0.00 1.02 0.00 0.00 30.24 31.90 2kg2 n GLN 115 CO 0.00 0.00 0.00 0.15 -1.01 0.00 0.00 177.06 176.20 2kg2 s LYS 116 N -2.18 2.52 0.17 -1.09 1.02 -1.26 -5.07 119.74 113.86 2kg2 s LYS 116 Ca 0.00 -0.38 -0.08 0.00 0.02 0.00 0.00 55.97 55.54 2kg2 s LYS 116 Cb 0.00 -2.32 -0.06 0.00 -0.52 0.00 0.00 37.83 34.93 2kg2 s LYS 116 CO 0.00 -0.89 0.46 0.00 -0.92 0.00 0.00 175.35 174.00 2kg2 s ALA 117 N -2.99 3.68 -0.56 5.17 0.00 -1.26 -5.01 121.76 120.79 2kg2 s ALA 117 Ca 0.57 -0.40 0.06 0.00 0.00 0.00 0.00 51.96 52.18 2kg2 s ALA 117 Cb -0.11 -2.29 0.33 0.00 0.00 0.00 0.00 23.12 21.06 2kg2 s ALA 117 CO 0.42 0.58 0.92 1.55 0.00 0.00 0.00 175.76 179.23 2kg2 n VAL 118 N 0.13 2.75 0.10 0.00 3.14 -1.26 -4.76 118.33 118.43 2kg2 n VAL 118 Ca -0.02 -5.47 -0.04 0.00 -2.96 0.00 0.00 64.34 55.85 2kg2 n VAL 118 Cb 0.52 -1.35 0.02 0.00 -1.06 0.00 0.00 33.84 31.96 2kg2 n VAL 118 CO 0.00 0.00 0.00 -0.61 -6.46 0.00 0.00 176.83 169.76 2kg2 h GLN 119 N 3.06 0.00 -7.08 1.45 4.15 -2.06 -3.45 115.11 111.18 2kg2 h GLN 119 Ca 0.13 0.00 -0.51 0.00 0.77 0.00 0.00 58.65 59.04 2kg2 h GLN 119 Cb 0.55 0.00 0.08 0.00 0.21 0.00 0.00 27.48 28.32 2kg2 h GLN 119 CO 0.79 0.80 0.45 1.14 -1.93 0.00 0.00 178.83 180.08 2kg2 s GLN 120 N -3.09 3.30 -0.20 1.69 -2.07 -1.26 -5.04 119.66 112.98 2kg2 s GLN 120 Ca 0.00 1.68 -0.04 0.00 -1.82 0.00 0.00 55.36 55.18 2kg2 s GLN 120 Cb 0.11 -2.02 0.07 0.00 -1.09 0.00 0.00 33.01 30.08 2kg2 s GLN 120 CO 0.79 -0.91 0.08 -1.12 -1.32 0.00 0.00 175.29 172.81 2kg2 s SER 121 N -1.69 2.77 -0.61 12.60 0.01 -1.26 -5.09 113.70 120.43 2kg2 s SER 121 Ca 0.73 -0.83 -0.25 0.00 1.31 0.00 0.00 55.95 56.92 2kg2 s SER 121 Cb -0.26 -0.38 0.05 0.00 0.21 0.00 0.00 66.02 65.63 2kg2 s SER 121 CO 0.29 -0.36 1.02 -0.04 0.41 0.00 0.00 173.24 174.57 2kg2 s MET 122 N 2.03 3.28 -0.75 12.44 -1.94 -1.26 -4.95 119.30 128.14 2kg2 s MET 122 Ca 0.03 -0.34 -0.08 0.00 -1.71 0.00 0.00 55.69 53.58 2kg2 s MET 122 Cb -0.16 -4.11 0.20 0.00 2.01 0.00 0.00 34.83 32.76 2kg2 s MET 122 CO -0.14 -1.69 0.64 -1.17 -0.01 0.00 0.00 175.02 172.65 2kg2 s LEU 123 N 4.35 6.02 0.00 -0.03 0.20 -1.26 -5.33 118.68 122.63 2kg2 s LEU 123 Ca 0.30 -2.85 0.00 0.00 0.69 0.00 0.00 54.13 52.27 2kg2 s LEU 123 Cb -0.12 -2.04 0.00 0.00 -0.43 0.00 0.00 46.19 43.60 2kg2 s LEU 123 CO 0.17 -0.45 0.00 -0.24 -0.29 0.00 0.00 176.35 175.54