#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 -4.50 0.01 1.61 7.64 -1.26 -4.88 113.62 112.24 2kg2 n SER 2 Ca 0.00 0.06 0.11 0.00 1.01 0.00 0.00 58.87 60.05 2kg2 n SER 2 Cb 0.00 -3.58 0.04 0.00 -1.01 0.00 0.00 64.21 59.66 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 -3.72 0.12 -2.02 1.43 0.18 -1.26 -5.04 117.16 106.85 2kg2 n TYR 3 Ca -0.17 0.04 -0.02 0.00 1.88 0.00 0.00 57.90 59.62 2kg2 n TYR 3 Cb 0.60 -0.28 -0.02 0.00 -0.38 0.00 0.00 39.34 39.26 2kg2 n TYR 3 CO 0.00 0.00 0.00 -0.89 -2.08 0.00 0.00 176.86 173.89 2kg2 n ILE 4 N -1.73 -7.62 -1.61 -3.48 5.41 -1.26 -5.05 119.36 104.02 2kg2 n ILE 4 Ca 0.03 1.28 -0.29 0.00 1.00 0.00 0.00 62.75 64.77 2kg2 n ILE 4 Cb 0.39 -5.00 0.15 0.00 -0.71 0.00 0.00 39.64 34.47 2kg2 n ILE 4 CO 0.00 0.00 0.00 -2.16 0.00 0.00 0.00 176.55 174.39 2kg2 s PRO 5 N -0.84 0.88 -0.52 0.38 0.04 -1.26 -5.01 135.00 128.68 2kg2 s PRO 5 Ca -0.12 0.09 0.04 0.00 0.04 0.00 0.00 61.00 61.05 2kg2 s PRO 5 Cb 0.01 -1.83 0.39 0.00 0.04 0.00 0.00 34.50 33.11 2kg2 s PRO 5 CO 0.38 -2.33 1.14 0.41 0.04 0.00 0.00 177.00 176.64 2kg2 n GLY 6 N -2.52 5.88 3.71 0.56 0.00 -1.26 -5.04 105.19 106.52 2kg2 n GLY 6 Ca 0.09 -2.75 -0.42 0.00 0.00 0.00 0.00 46.02 42.94 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 -3.58 4.52 0.00 1.61 0.74 -1.26 -4.90 119.66 116.79 2kg2 s GLN 7 Ca 0.48 1.57 0.00 0.00 0.05 0.00 0.00 55.36 57.46 2kg2 s GLN 7 Cb 0.36 -3.40 0.00 0.00 1.10 0.00 0.00 33.01 31.07 2kg2 s GLN 7 CO -0.19 -0.11 0.34 -0.35 -0.55 0.00 0.00 175.29 174.44 2kg2 n PRO 8 N 3.78 0.00 0.08 1.67 -0.04 -1.26 -4.99 135.00 134.24 2kg2 n PRO 8 Ca 0.07 0.33 0.00 0.00 -0.04 0.00 0.00 63.50 63.86 2kg2 n PRO 8 Cb 0.49 -1.04 0.00 0.00 -0.04 0.00 0.00 33.50 32.91 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 -1.49 0.00 -0.13 0.52 0.24 -1.26 -5.02 118.33 111.19 2kg2 n VAL 9 Ca 0.00 0.00 -0.21 0.00 -2.04 0.00 0.00 64.34 62.09 2kg2 n VAL 9 Cb 0.00 -0.13 -0.12 0.00 -1.47 0.00 0.00 33.84 32.13 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 -2.88 1.50 -2.54 3.34 5.66 -1.26 -4.96 114.28 113.15 2kg2 n THR 10 Ca 0.00 -0.52 -0.40 0.00 -3.05 0.00 0.00 64.05 60.08 2kg2 n THR 10 Cb 0.00 -1.54 -0.05 0.00 -1.55 0.00 0.00 70.33 67.19 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 -2.52 3.37 -0.34 1.79 0.00 -1.26 -4.61 121.76 118.19 2kg2 s ALA 11 Ca -0.36 0.82 -0.24 0.00 0.00 0.00 0.00 51.96 52.18 2kg2 s ALA 11 Cb 0.11 -3.30 0.01 0.00 0.00 0.00 0.00 23.12 19.93 2kg2 s ALA 11 CO 0.57 -0.09 0.82 0.08 0.00 0.00 0.00 175.76 177.15 2kg2 s VAL 12 N -1.21 4.72 -0.02 0.00 1.01 -1.26 -4.45 120.40 119.20 2kg2 s VAL 12 Ca 0.45 1.10 -0.01 0.00 0.00 0.00 0.00 61.98 63.52 2kg2 s VAL 12 Cb -0.30 -4.22 -0.04 0.00 0.00 0.00 0.00 36.38 31.83 2kg2 s VAL 12 CO 0.38 -0.38 0.07 0.54 0.00 0.00 0.00 175.10 175.71 2kg2 s VAL 13 N 3.14 4.70 0.00 2.92 0.11 -1.26 -0.13 120.40 129.88 2kg2 s VAL 13 Ca 0.34 -0.37 -0.07 0.00 -2.93 0.00 0.00 61.98 58.94 2kg2 s VAL 13 Cb -0.13 -3.13 0.00 0.00 -1.53 0.00 0.00 36.38 31.59 2kg2 s VAL 13 CO 0.15 0.39 0.13 0.00 -3.33 0.00 0.00 175.10 172.44 2kg2 s GLN 14 N -1.62 0.47 0.10 1.54 1.03 0.27 -4.93 119.66 116.52 2kg2 s GLN 14 Ca 0.21 -0.40 -0.10 0.00 0.04 0.00 0.00 55.36 55.11 2kg2 s GLN 14 Cb -0.12 0.19 -0.06 0.00 0.03 0.00 0.00 33.01 33.05 2kg2 s GLN 14 CO 0.12 -0.11 0.43 -0.98 -2.54 0.00 0.00 175.29 172.21 2kg2 s ARG 15 N -1.36 3.79 0.18 9.60 1.04 -1.26 -0.95 118.95 129.98 2kg2 s ARG 15 Ca -0.15 0.22 0.11 0.00 -1.04 0.00 0.00 55.73 54.87 2kg2 s ARG 15 Cb -0.08 -2.97 -0.04 0.00 -2.04 0.00 0.00 34.95 29.82 2kg2 s ARG 15 CO 0.01 0.54 -0.24 0.08 -0.04 0.00 0.00 175.30 175.65 2kg2 s VAL 16 N -1.43 2.26 -0.24 4.99 1.01 0.20 -4.90 120.40 122.30 2kg2 s VAL 16 Ca 0.34 -1.95 -0.04 0.00 0.00 0.00 0.00 61.98 60.33 2kg2 s VAL 16 Cb -0.14 -2.05 0.08 0.00 0.00 0.00 0.00 36.38 34.27 2kg2 s VAL 16 CO 0.19 -0.10 0.11 -0.70 0.00 0.00 0.00 175.10 174.60 2kg2 s GLU 17 N -2.54 0.18 -0.11 2.72 2.12 -1.26 -0.79 118.70 119.03 2kg2 s GLU 17 Ca 0.18 -0.37 -0.15 0.00 0.36 0.00 0.00 54.97 55.00 2kg2 s GLU 17 Cb -0.08 -1.50 -0.05 0.00 0.26 0.00 0.00 34.13 32.76 2kg2 s GLU 17 CO 0.09 -0.86 0.36 0.42 -0.54 0.00 0.00 175.26 174.72 2kg2 s ILE 18 N 2.09 5.22 -0.19 -3.70 1.09 -1.16 -4.61 121.20 119.93 2kg2 s ILE 18 Ca 0.06 0.70 -0.07 0.00 -1.10 0.00 0.00 60.65 60.24 2kg2 s ILE 18 Cb -0.16 -3.68 -0.04 0.00 -1.06 0.00 0.00 42.46 37.52 2kg2 s ILE 18 CO -0.24 0.43 0.06 -1.00 -0.10 0.00 0.00 174.94 174.09 2kg2 s HIS 19 N 0.03 3.21 -0.02 3.97 3.76 -1.26 -2.67 115.29 122.31 2kg2 s HIS 19 Ca 0.21 -0.00 -0.01 0.00 -0.15 0.00 0.00 55.06 55.10 2kg2 s HIS 19 Cb -0.14 -2.09 -0.01 0.00 1.11 0.00 0.00 32.58 31.45 2kg2 s HIS 19 CO 0.08 0.09 0.08 0.36 -0.85 0.00 0.00 174.74 174.49 2kg2 n LYS 20 N 3.68 0.00 -3.75 1.40 2.85 -1.22 -4.73 118.16 116.39 2kg2 n LYS 20 Ca -0.17 0.00 -0.36 0.00 -1.05 0.00 0.00 58.31 56.73 2kg2 n LYS 20 Cb 0.52 -0.05 -0.11 0.00 -0.65 0.00 0.00 35.03 34.75 2kg2 n LYS 20 CO 0.00 0.00 0.00 -1.17 -0.05 0.00 0.00 177.40 176.18 2kg2 s LEU 21 N 0.24 3.86 -0.29 -5.58 2.96 -0.46 -4.96 118.68 114.44 2kg2 s LEU 21 Ca 0.04 -0.00 -0.18 0.00 -0.22 0.00 0.00 54.13 53.77 2kg2 s LEU 21 Cb -0.04 -2.03 -0.02 0.00 0.50 0.00 0.00 46.19 44.60 2kg2 s LEU 21 CO 0.02 0.04 0.53 -0.13 -1.32 0.00 0.00 176.35 175.48 2kg2 s ARG 22 N 1.19 3.91 -0.24 1.98 3.00 -1.26 0.31 118.95 127.84 2kg2 s ARG 22 Ca 0.06 0.17 0.00 0.00 0.00 0.00 0.00 55.73 55.96 2kg2 s ARG 22 Cb -0.14 -3.71 0.06 0.00 0.00 0.00 0.00 34.95 31.16 2kg2 s ARG 22 CO 0.05 -0.47 -0.03 -0.65 0.00 0.00 0.00 175.30 174.20 2kg2 s GLN 23 N 2.37 1.45 3.78 3.54 -0.21 0.62 -4.96 119.66 126.24 2kg2 s GLN 23 Ca 0.21 -0.96 0.00 0.00 0.02 0.00 0.00 55.36 54.62 2kg2 s GLN 23 Cb -0.15 -2.52 0.00 0.00 1.00 0.00 0.00 33.01 31.33 2kg2 s GLN 23 CO 0.11 -0.64 0.00 0.41 -2.12 0.00 0.00 175.29 173.05 2kg2 n GLY 24 N 4.71 1.20 0.20 3.09 0.00 -1.26 -1.64 105.19 111.48 2kg2 n GLY 24 Ca -0.10 0.28 0.02 0.00 0.00 0.00 0.00 46.02 46.22 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 1.37 -4.11 1.61 1.02 -1.26 -5.03 120.64 114.24 2kg2 n GLU 25 Ca 0.00 -1.25 -0.08 0.00 -0.02 0.00 0.00 57.16 55.81 2kg2 n GLU 25 Cb 0.00 -1.09 -0.10 0.00 -0.02 0.00 0.00 31.44 30.23 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 -0.69 0.58 -0.20 1.62 0.01 -0.65 -5.12 114.94 110.49 2kg2 s ASN 26 Ca 0.07 -1.02 -0.07 0.00 -0.71 0.00 0.00 52.86 51.13 2kg2 s ASN 26 Cb 0.04 0.19 -0.04 0.00 0.41 0.00 0.00 41.25 41.85 2kg2 s ASN 26 CO 0.05 -0.59 0.05 -0.22 -1.51 0.00 0.00 177.10 174.89 2kg2 s LEU 27 N -2.95 3.66 0.25 0.60 2.96 -1.26 -0.28 118.68 121.67 2kg2 s LEU 27 Ca 0.09 -0.01 0.02 0.00 -0.22 0.00 0.00 54.13 54.00 2kg2 s LEU 27 Cb 0.08 -1.94 -0.05 0.00 0.50 0.00 0.00 46.19 44.78 2kg2 s LEU 27 CO -0.08 0.12 0.08 -0.63 -1.32 0.00 0.00 176.35 174.52 2kg2 s ILE 28 N 0.68 0.63 -2.33 6.68 1.01 0.15 -4.00 121.20 124.02 2kg2 s ILE 28 Ca 0.03 -2.00 0.26 0.00 0.00 0.00 0.00 60.65 58.94 2kg2 s ILE 28 Cb -0.13 -2.59 0.36 0.00 0.01 0.00 0.00 42.46 40.10 2kg2 s ILE 28 CO 0.02 -0.06 1.55 0.18 0.00 0.00 0.00 174.94 176.63 2kg2 n LEU 29 N -0.46 1.68 0.00 2.97 4.77 -1.26 -1.36 117.00 123.34 2kg2 n LEU 29 Ca -0.01 -0.55 0.00 0.00 -0.03 0.00 0.00 56.01 55.43 2kg2 n LEU 29 Cb 0.66 -0.03 0.00 0.00 -2.33 0.00 0.00 43.42 41.72 2kg2 n LEU 29 CO 0.37 0.29 0.00 0.61 -1.33 0.00 0.00 177.39 177.33 2kg2 n GLY 30 N 1.27 2.83 3.99 -0.72 0.00 -1.26 -3.49 105.19 107.81 2kg2 n GLY 30 Ca 0.15 -0.49 -0.18 0.00 0.00 0.00 0.00 46.02 45.50 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 -1.42 2.95 0.29 1.61 -0.71 -1.26 -2.18 117.98 117.26 2kg2 s PHE 31 Ca 0.00 -0.32 0.04 0.00 -1.04 0.00 0.00 56.93 55.61 2kg2 s PHE 31 Cb 0.00 -2.17 -0.06 0.00 -1.21 0.00 0.00 43.02 39.58 2kg2 s PHE 31 CO 0.00 -0.20 0.03 -1.12 -1.34 0.00 0.00 175.22 172.60 2kg2 s SER 32 N -4.25 2.16 0.37 1.98 0.01 0.16 -4.86 113.70 109.27 2kg2 s SER 32 Ca 0.50 -1.32 0.05 0.00 1.31 0.00 0.00 55.95 56.49 2kg2 s SER 32 Cb -0.09 -0.04 -0.07 0.00 0.21 0.00 0.00 66.02 66.02 2kg2 s SER 32 CO 0.32 -0.57 0.03 0.27 0.41 0.00 0.00 173.24 173.70 2kg2 s ILE 33 N -3.34 1.60 -0.02 1.44 -4.36 -1.26 -0.94 121.20 114.31 2kg2 s ILE 33 Ca 0.34 -2.00 0.06 0.00 -0.26 0.00 0.00 60.65 58.79 2kg2 s ILE 33 Cb 0.07 -2.89 -0.10 0.00 1.25 0.00 0.00 42.46 40.80 2kg2 s ILE 33 CO 0.13 -0.01 0.13 0.61 0.24 0.00 0.00 174.94 176.05 2kg2 n GLY 34 N -0.82 -0.30 0.00 6.27 0.00 0.71 -4.45 105.19 106.60 2kg2 n GLY 34 Ca -0.04 -0.15 0.00 0.00 0.00 0.00 0.00 46.02 45.83 2kg2 n GLY 34 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2kg2 n GLY 35 N 2.19 2.47 0.00 -0.02 0.00 -1.26 -4.94 105.19 103.63 2kg2 n GLY 35 Ca -0.02 -2.13 0.00 0.00 0.00 0.00 0.00 46.02 43.87 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 -1.09 1.52 0.17 -0.02 0.00 -1.26 -2.83 105.19 101.68 2kg2 n GLY 36 Ca 0.00 -0.08 0.06 0.00 0.00 0.00 0.00 46.02 46.00 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 0.63 -0.09 -0.61 -2.65 -1.86 -3.04 117.51 109.89 2kg2 h ILE 37 Ca 0.00 -1.74 0.00 0.00 1.03 0.00 0.00 64.86 64.15 2kg2 h ILE 37 Cb 0.00 2.19 0.00 0.00 -2.05 0.00 0.00 36.82 36.96 2kg2 h ILE 37 CO 0.00 0.34 0.00 -0.90 0.03 0.00 0.00 178.15 177.62 2kg2 n ASP 38 N -3.24 1.03 -4.76 2.16 5.75 -1.26 -4.71 116.55 111.51 2kg2 n ASP 38 Ca 0.02 -1.56 -0.25 0.00 -0.01 0.00 0.00 54.79 52.99 2kg2 n ASP 38 Cb 0.63 -0.06 -0.06 0.00 -1.03 0.00 0.00 41.12 40.60 2kg2 n ASP 38 CO 0.00 0.00 0.00 -1.10 -0.11 0.00 0.00 177.20 175.99 2kg2 s GLN 39 N -1.89 2.73 -0.30 0.11 -1.52 -1.15 -4.96 119.66 112.69 2kg2 s GLN 39 Ca 0.32 -1.00 -0.12 0.00 -1.95 0.00 0.00 55.36 52.61 2kg2 s GLN 39 Cb 0.16 -2.52 -0.04 0.00 -0.22 0.00 0.00 33.01 30.39 2kg2 s GLN 39 CO 0.26 0.45 0.23 0.34 -0.25 0.00 0.00 175.29 176.33 2kg2 s ASP 40 N -3.24 6.07 0.60 5.90 -1.08 -1.26 -4.91 116.67 118.75 2kg2 s ASP 40 Ca 0.30 -0.08 0.29 0.00 -0.52 0.00 0.00 52.55 52.54 2kg2 s ASP 40 Cb -0.09 -2.14 1.65 0.00 -1.46 0.00 0.00 42.92 40.88 2kg2 s ASP 40 CO 0.22 -0.13 2.06 1.55 0.52 0.00 0.00 175.17 179.40 2kg2 h PRO 41 N 8.38 0.00 0.00 4.34 0.13 -1.91 0.18 132.00 143.12 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 0.59 0.00 0.00 0.77 -0.23 0.00 0.00 178.00 179.13 2kg2 h SER 42 N 0.00 0.00 0.00 1.44 0.02 -1.93 -3.01 113.55 110.07 2kg2 h SER 42 Ca 0.10 0.00 -0.10 0.00 -0.84 0.00 0.00 61.79 60.95 2kg2 h SER 42 Cb 0.60 0.00 -0.22 0.00 0.14 0.00 0.00 62.40 62.92 2kg2 h SER 42 CO -0.00 0.00 -0.78 0.00 -1.14 0.00 0.00 176.83 174.91 2kg2 n GLN 43 N -2.64 0.56 -4.14 3.45 0.00 0.58 -4.97 117.38 110.21 2kg2 n GLN 43 Ca 0.02 -2.36 -0.32 0.00 0.00 0.00 0.00 57.00 54.34 2kg2 n GLN 43 Cb 0.30 -0.61 -0.08 0.00 0.00 0.00 0.00 30.24 29.85 2kg2 n GLN 43 CO 0.00 0.00 0.00 -0.80 0.00 0.00 0.00 177.06 176.26 2kg2 s ASN 44 N -2.35 5.39 0.03 2.61 0.01 -0.87 -4.86 114.94 114.90 2kg2 s ASN 44 Ca 0.33 0.02 -0.25 0.00 -0.71 0.00 0.00 52.86 52.25 2kg2 s ASN 44 Cb 0.35 -1.45 -0.18 0.00 0.41 0.00 0.00 41.25 40.38 2kg2 s ASN 44 CO -0.12 0.24 1.44 1.55 -1.51 0.00 0.00 177.10 178.70 2kg2 h PRO 45 N 3.87 -0.09 -0.26 -0.60 0.13 -1.92 -1.98 132.00 131.16 2kg2 h PRO 45 Ca -0.48 0.01 0.00 0.00 -0.87 0.00 0.00 66.00 64.65 2kg2 h PRO 45 Cb 1.17 0.02 0.00 0.00 0.13 0.00 0.00 31.00 32.32 2kg2 h PRO 45 CO 0.61 0.19 0.00 1.19 -0.23 0.00 0.00 178.00 179.77 2kg2 n PHE 46 N -5.00 0.33 0.21 1.56 3.72 -1.26 -4.15 117.46 112.86 2kg2 n PHE 46 Ca -0.08 -0.24 0.03 0.00 -0.05 0.00 0.00 57.45 57.11 2kg2 n PHE 46 Cb 0.18 -0.01 0.04 0.00 -0.94 0.00 0.00 39.48 38.75 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 0.95 1.76 0.19 4.37 2.88 -1.22 -4.22 113.62 118.34 2kg2 n SER 47 Ca 0.13 -1.42 0.08 0.00 -1.33 0.00 0.00 58.87 56.33 2kg2 n SER 47 Cb 0.46 -0.03 0.14 0.00 -0.75 0.00 0.00 64.21 64.03 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 1.31 0.00 0.18 -1.46 4.11 -1.28 -3.27 114.58 114.18 2kg2 h GLU 48 Ca 0.00 0.00 -0.32 0.00 0.07 0.00 0.00 59.36 59.11 2kg2 h GLU 48 Cb 0.35 0.00 0.01 0.00 0.50 0.00 0.00 28.75 29.62 2kg2 h GLU 48 CO 0.00 0.23 -1.52 0.22 0.07 0.00 0.00 179.01 178.01 2kg2 h ASP 49 N 0.00 0.60 -3.53 3.06 3.58 -1.82 -3.45 116.42 114.86 2kg2 h ASP 49 Ca -0.00 -0.74 -0.33 0.00 0.42 0.00 0.00 57.03 56.37 2kg2 h ASP 49 Cb 1.13 -0.20 -0.33 0.00 1.72 0.00 0.00 39.33 41.65 2kg2 h ASP 49 CO 0.03 1.60 -0.74 -0.54 -2.88 0.00 0.00 179.24 176.71 2kg2 s LYS 50 N -2.61 0.27 0.00 0.28 1.02 -1.23 -5.03 119.74 112.44 2kg2 s LYS 50 Ca -0.10 0.07 0.24 0.00 0.02 0.00 0.00 55.97 56.20 2kg2 s LYS 50 Cb 0.06 -0.44 1.22 0.00 -0.52 0.00 0.00 37.83 38.15 2kg2 s LYS 50 CO 0.89 -0.12 1.81 0.25 -0.92 0.00 0.00 175.35 177.26 2kg2 n THR 51 N 4.03 0.05 -2.44 2.17 -2.24 -1.25 -4.39 114.28 110.22 2kg2 n THR 51 Ca -0.26 -0.12 -0.43 0.00 -2.27 0.00 0.00 64.05 60.97 2kg2 n THR 51 Cb 0.51 -0.05 -0.02 0.00 -2.10 0.00 0.00 70.33 68.67 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 -1.76 6.64 0.94 3.42 2.15 -1.26 -4.93 116.67 121.87 2kg2 s ASP 52 Ca 0.36 1.10 -0.11 0.00 0.43 0.00 0.00 52.55 54.33 2kg2 s ASP 52 Cb 0.18 -2.54 0.18 0.00 -0.30 0.00 0.00 42.92 40.43 2kg2 s ASP 52 CO 0.29 -1.13 1.07 0.29 -0.17 0.00 0.00 175.17 175.52 2kg2 n LYS 53 N 7.42 -0.89 0.00 4.34 5.02 -1.26 -4.95 118.16 127.84 2kg2 n LYS 53 Ca 0.15 -1.85 0.00 0.00 -2.02 0.00 0.00 58.31 54.59 2kg2 n LYS 53 Cb 0.47 -1.04 0.00 0.00 -0.02 0.00 0.00 35.03 34.44 2kg2 n LYS 53 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 2kg2 n GLY 54 N -2.19 4.00 3.66 0.72 0.00 -1.25 -4.85 105.19 105.28 2kg2 n GLY 54 Ca 0.14 -1.31 -0.52 0.00 0.00 0.00 0.00 46.02 44.32 2kg2 n GLY 54 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 2kg2 n ILE 55 N -0.51 0.21 -4.31 -0.61 2.08 -1.19 -4.37 119.36 110.66 2kg2 n ILE 55 Ca 0.00 -0.04 -0.20 0.00 0.56 0.00 0.00 62.75 63.07 2kg2 n ILE 55 Cb 0.00 -1.26 -0.11 0.00 -0.75 0.00 0.00 39.64 37.52 2kg2 n ILE 55 CO 0.00 0.00 0.00 -0.72 0.56 0.00 0.00 176.55 176.39 2kg2 s TYR 56 N 2.26 1.68 0.14 1.39 -0.85 -1.13 -0.82 117.35 120.02 2kg2 s TYR 56 Ca 0.90 -0.52 -0.28 0.00 -0.52 0.00 0.00 57.07 56.65 2kg2 s TYR 56 Cb -0.90 -0.83 -0.07 0.00 0.38 0.00 0.00 41.96 40.54 2kg2 s TYR 56 CO 0.53 0.29 0.86 0.08 -1.52 0.00 0.00 175.55 175.79 2kg2 s VAL 57 N -2.36 4.42 -0.03 -3.49 1.01 -1.26 -0.21 120.40 118.48 2kg2 s VAL 57 Ca 0.16 1.87 0.10 0.00 0.00 0.00 0.00 61.98 64.11 2kg2 s VAL 57 Cb -0.04 -4.23 -0.14 0.00 0.00 0.00 0.00 36.38 31.97 2kg2 s VAL 57 CO 0.06 0.43 0.17 0.35 0.00 0.00 0.00 175.10 176.10 2kg2 n THR 58 N 2.18 0.16 -3.79 3.92 -2.24 -0.12 -0.16 114.28 114.22 2kg2 n THR 58 Ca -0.02 -0.27 -0.13 0.00 -2.27 0.00 0.00 64.05 61.36 2kg2 n THR 58 Cb 0.49 0.02 -0.13 0.00 -2.10 0.00 0.00 70.33 68.60 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 -2.58 0.13 -0.01 -0.78 1.81 -1.20 -4.88 118.95 111.44 2kg2 s ARG 59 Ca -0.04 0.26 0.05 0.00 -1.72 0.00 0.00 55.73 54.28 2kg2 s ARG 59 Cb 0.05 -0.03 -0.01 0.00 -0.45 0.00 0.00 34.95 34.52 2kg2 s ARG 59 CO 0.41 -0.08 -0.15 0.08 -0.68 0.00 0.00 175.30 174.87 2kg2 s VAL 60 N 0.52 1.21 -0.20 3.52 1.01 -1.26 0.37 120.40 125.57 2kg2 s VAL 60 Ca -0.04 -0.65 -0.30 0.00 0.00 0.00 0.00 61.98 60.99 2kg2 s VAL 60 Cb -0.05 -1.01 -0.08 0.00 0.00 0.00 0.00 36.38 35.24 2kg2 s VAL 60 CO -0.02 0.34 2.15 -1.20 0.00 0.00 0.00 175.10 176.37 2kg2 n SER 61 N 2.73 3.17 0.06 3.32 7.64 -0.93 -4.84 113.62 124.78 2kg2 n SER 61 Ca -0.15 0.42 0.07 0.00 1.01 0.00 0.00 58.87 60.23 2kg2 n SER 61 Cb 0.55 -1.47 0.31 0.00 -1.01 0.00 0.00 64.21 62.59 2kg2 n SER 61 CO 0.00 0.00 0.00 -1.84 -3.01 0.00 0.00 175.04 170.19 2kg2 n GLU 62 N 8.24 0.07 -0.79 1.43 0.28 -1.26 -1.85 120.64 126.77 2kg2 n GLU 62 Ca 0.30 0.42 0.01 0.00 -0.16 0.00 0.00 57.16 57.73 2kg2 n GLU 62 Cb 0.38 -1.66 0.01 0.00 1.43 0.00 0.00 31.44 31.60 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 -0.59 0.65 3.87 -1.84 0.00 -1.26 -4.97 105.19 101.05 2kg2 n GLY 63 Ca 0.01 -0.24 -0.28 0.00 0.00 0.00 0.00 46.02 45.51 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 0.14 2.90 0.25 -0.02 0.00 -0.77 -4.97 105.19 102.72 2kg2 n GLY 64 Ca 0.02 -2.32 0.09 0.00 0.00 0.00 0.00 46.02 43.81 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 0.67 1.61 0.13 -1.84 -1.14 132.00 131.42 2kg2 h PRO 65 Ca -0.37 0.00 -0.03 0.00 -0.87 0.00 0.00 66.00 64.73 2kg2 h PRO 65 Cb 1.31 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.43 2kg2 h PRO 65 CO 0.59 0.14 -0.48 0.00 -0.23 0.00 0.00 178.00 178.03 2kg2 h ALA 66 N 1.86 -1.22 0.00 -0.56 0.00 -1.83 0.10 119.26 117.61 2kg2 h ALA 66 Ca -0.00 -0.22 0.00 0.00 0.00 0.00 0.00 54.91 54.69 2kg2 h ALA 66 Cb 0.30 0.64 0.00 0.00 0.00 0.00 0.00 17.79 18.72 2kg2 h ALA 66 CO 0.02 -1.20 -0.61 1.05 0.00 0.00 0.00 179.25 178.50 2kg2 h GLU 67 N -1.09 0.00 -0.42 0.00 4.11 -1.57 0.33 114.58 115.94 2kg2 h GLU 67 Ca -0.09 0.00 -0.00 0.00 0.07 0.00 0.00 59.36 59.34 2kg2 h GLU 67 Cb 0.90 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 30.13 2kg2 h GLU 67 CO 0.04 0.00 0.24 0.82 0.07 0.00 0.00 179.01 180.18 2kg2 h ILE 68 N 0.00 1.13 0.00 -1.06 1.08 -1.10 -3.06 117.51 114.50 2kg2 h ILE 68 Ca 0.00 -0.30 -0.01 0.00 -0.39 0.00 0.00 64.86 64.16 2kg2 h ILE 68 Cb 0.86 0.55 -0.00 0.00 -3.07 0.00 0.00 36.82 35.17 2kg2 h ILE 68 CO 0.00 0.13 -0.10 0.00 -0.69 0.00 0.00 178.15 177.49 2kg2 h ALA 69 N 1.69 0.01 0.00 1.87 0.00 -0.66 -3.49 119.26 118.68 2kg2 h ALA 69 Ca 0.15 -0.24 0.00 0.00 0.00 0.00 0.00 54.91 54.82 2kg2 h ALA 69 Cb -0.00 0.08 0.00 0.00 0.00 0.00 0.00 17.79 17.87 2kg2 h ALA 69 CO -0.03 0.08 0.00 0.41 0.00 0.00 0.00 179.25 179.71 2kg2 n GLY 70 N 1.70 0.00 3.64 0.00 0.00 -0.35 -4.87 105.19 105.31 2kg2 n GLY 70 Ca -0.05 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.57 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 4.09 0.33 0.99 2.96 0.10 -4.94 118.68 122.22 2kg2 s LEU 71 Ca 0.00 0.79 0.08 0.00 -0.22 0.00 0.00 54.13 54.78 2kg2 s LEU 71 Cb 0.00 -2.90 -0.04 0.00 0.50 0.00 0.00 46.19 43.75 2kg2 s LEU 71 CO 0.00 -0.35 0.16 -1.10 -1.32 0.00 0.00 176.35 173.74 2kg2 s GLN 72 N 2.32 2.45 0.17 1.98 -1.52 -1.26 -3.66 119.66 120.14 2kg2 s GLN 72 Ca 0.28 -1.48 -0.30 0.00 -1.95 0.00 0.00 55.36 51.91 2kg2 s GLN 72 Cb -0.16 -2.24 -0.08 0.00 -0.22 0.00 0.00 33.01 30.31 2kg2 s GLN 72 CO 0.09 0.14 1.32 0.42 -0.25 0.00 0.00 175.29 177.01 2kg2 s ILE 73 N -2.39 3.26 0.00 1.08 1.01 -1.26 -2.93 121.20 119.97 2kg2 s ILE 73 Ca 0.38 1.00 0.00 0.00 0.00 0.00 0.00 60.65 62.02 2kg2 s ILE 73 Cb -0.04 -3.64 0.00 0.00 0.01 0.00 0.00 42.46 38.80 2kg2 s ILE 73 CO 0.23 0.13 0.00 0.61 0.00 0.00 0.00 174.94 175.91 2kg2 n GLY 74 N 2.65 0.55 0.00 6.18 0.00 0.77 -4.95 105.19 110.39 2kg2 n GLY 74 Ca 0.07 -0.37 0.08 0.00 0.00 0.00 0.00 46.02 45.80 2kg2 n GLY 74 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 2kg2 n ASP 75 N 0.66 0.00 -3.07 1.61 9.92 -1.15 -4.85 116.55 119.68 2kg2 n ASP 75 Ca 0.00 -0.63 -0.08 0.00 -0.53 0.00 0.00 54.79 53.56 2kg2 n ASP 75 Cb 0.00 0.00 0.01 0.00 -0.64 0.00 0.00 41.12 40.49 2kg2 n ASP 75 CO 0.00 0.00 0.00 0.29 0.13 0.00 0.00 177.20 177.62 2kg2 n LYS 76 N -0.93 -1.75 -2.83 -1.24 4.76 -1.26 -0.50 118.16 114.41 2kg2 n LYS 76 Ca 0.11 1.64 -0.42 0.00 -2.87 0.00 0.00 58.31 56.77 2kg2 n LYS 76 Cb 0.05 -3.00 -0.04 0.00 -1.84 0.00 0.00 35.03 30.21 2kg2 n LYS 76 CO 0.00 0.00 0.00 0.42 -1.37 0.00 0.00 177.40 176.45 2kg2 s ILE 77 N -1.45 4.85 -0.04 -0.18 1.01 0.00 -1.57 121.20 123.82 2kg2 s ILE 77 Ca 0.09 1.75 0.15 0.00 0.00 0.00 0.00 60.65 62.64 2kg2 s ILE 77 Cb -0.01 -4.19 -0.22 0.00 0.01 0.00 0.00 42.46 38.04 2kg2 s ILE 77 CO 0.47 0.01 0.33 0.23 0.00 0.00 0.00 174.94 175.98 2kg2 n MET 78 N 5.25 0.51 -3.68 2.79 2.81 0.06 -3.59 117.12 121.26 2kg2 n MET 78 Ca 0.06 -0.13 -0.10 0.00 -1.81 0.00 0.00 57.70 55.72 2kg2 n MET 78 Cb 0.49 -1.34 -0.10 0.00 -0.71 0.00 0.00 33.22 31.56 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 -2.99 0.50 -0.15 0.03 2.00 -1.10 -0.29 119.66 117.66 2kg2 s GLN 79 Ca -0.05 0.89 -0.02 0.00 -2.00 0.00 0.00 55.36 54.18 2kg2 s GLN 79 Cb 0.09 0.06 0.05 0.00 0.80 0.00 0.00 33.01 34.01 2kg2 s GLN 79 CO 0.61 -0.14 0.02 0.08 -0.50 0.00 0.00 175.29 175.35 2kg2 s VAL 80 N 1.31 0.51 -0.97 1.34 1.01 -1.26 0.30 120.40 122.64 2kg2 s VAL 80 Ca -0.08 -0.32 0.00 0.00 0.00 0.00 0.00 61.98 61.58 2kg2 s VAL 80 Cb -0.07 -0.87 0.00 0.00 0.00 0.00 0.00 36.38 35.44 2kg2 s VAL 80 CO -0.13 -0.02 0.00 -3.20 0.00 0.00 0.00 175.10 171.75 2kg2 n ASN 81 N 5.08 -3.56 0.00 3.32 4.05 0.20 -0.22 115.26 124.12 2kg2 n ASN 81 Ca -0.08 0.23 0.00 0.00 0.45 0.00 0.00 54.58 55.17 2kg2 n ASN 81 Cb 0.48 -3.07 0.00 0.00 1.23 0.00 0.00 39.78 38.42 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 -0.72 0.77 0.42 8.20 0.00 -1.26 -4.87 105.19 107.73 2kg2 n GLY 82 Ca -0.13 0.00 0.07 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 -2.29 0.00 -1.24 1.61 4.27 0.69 -5.10 117.44 115.38 2kg2 n TRP 83 Ca 0.00 0.00 0.00 0.00 -3.89 0.00 0.00 57.50 53.61 2kg2 n TRP 83 Cb 0.00 0.00 0.00 0.00 -1.36 0.00 0.00 31.31 29.95 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 0.22 -6.97 0.00 -0.67 -0.08 -1.26 -4.89 116.55 102.90 2kg2 n ASP 84 Ca 0.07 0.90 0.00 0.00 -1.51 0.00 0.00 54.79 54.25 2kg2 n ASP 84 Cb 0.32 -3.03 0.00 0.00 2.34 0.00 0.00 41.12 40.75 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 0.18 -0.25 0.24 -0.67 0.00 0.61 -4.66 117.12 112.57 2kg2 n MET 85 Ca 0.00 -0.35 0.15 0.00 -0.00 0.00 0.00 57.70 57.50 2kg2 n MET 85 Cb 0.00 -0.76 0.55 0.00 0.00 0.00 0.00 33.22 33.01 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 0.61 0.00 -2.59 1.12 1.03 -1.31 -3.16 112.91 108.62 2kg2 h THR 86 Ca 0.00 -0.58 -0.58 0.00 -0.01 0.00 0.00 66.41 65.24 2kg2 h THR 86 Cb 0.31 1.55 -0.39 0.00 -1.07 0.00 0.00 68.15 68.55 2kg2 h THR 86 CO 0.00 0.00 -0.85 -0.32 -0.01 0.00 0.00 175.52 174.34 2kg2 s MET 87 N -3.51 0.62 -0.21 0.00 -2.45 -1.26 -4.08 119.30 108.41 2kg2 s MET 87 Ca 0.03 -1.43 -0.27 0.00 -1.25 0.00 0.00 55.69 52.77 2kg2 s MET 87 Cb 0.08 -1.37 0.08 0.00 1.25 0.00 0.00 34.83 34.87 2kg2 s MET 87 CO 0.55 -1.22 0.76 0.54 1.05 0.00 0.00 175.02 176.70 2kg2 s VAL 88 N 0.94 0.00 0.65 10.11 0.11 -1.25 -5.07 120.40 125.89 2kg2 s VAL 88 Ca 0.19 0.00 -0.15 0.00 -2.93 0.00 0.00 61.98 59.09 2kg2 s VAL 88 Cb -0.21 -1.00 -0.01 0.00 -1.53 0.00 0.00 36.38 33.64 2kg2 s VAL 88 CO -0.01 0.00 1.11 0.42 -3.33 0.00 0.00 175.10 173.29 2kg2 s THR 89 N -0.11 3.25 0.24 5.04 -4.23 -1.26 -3.88 115.64 114.69 2kg2 s THR 89 Ca -0.03 0.59 -0.05 0.00 -1.18 0.00 0.00 61.69 61.03 2kg2 s THR 89 Cb -0.04 -3.12 0.20 0.00 1.34 0.00 0.00 72.50 70.88 2kg2 s THR 89 CO 0.03 -0.34 1.77 -0.74 -0.54 0.00 0.00 174.62 174.80 2kg2 h HIS 90 N 0.13 0.69 -0.60 3.99 2.76 -1.93 0.21 115.15 120.41 2kg2 h HIS 90 Ca -0.47 0.03 0.00 0.00 -2.20 0.00 0.00 60.37 57.74 2kg2 h HIS 90 Cb 1.25 -0.19 -0.03 0.00 1.55 0.00 0.00 27.41 29.99 2kg2 h HIS 90 CO 0.54 0.22 0.39 0.22 -1.30 0.00 0.00 177.93 178.00 2kg2 h ASP 91 N 0.62 0.69 0.68 3.26 3.58 -2.00 0.25 116.42 123.50 2kg2 h ASP 91 Ca 0.39 -0.02 -0.23 0.00 0.42 0.00 0.00 57.03 57.59 2kg2 h ASP 91 Cb 0.46 -0.17 -0.01 0.00 1.72 0.00 0.00 39.33 41.33 2kg2 h ASP 91 CO -0.30 0.51 -1.03 1.56 -2.88 0.00 0.00 179.24 177.10 2kg2 h GLN 92 N 0.81 0.19 -0.30 0.28 7.50 -1.79 -3.27 115.11 118.53 2kg2 h GLN 92 Ca 0.22 -0.26 -0.18 0.00 0.50 0.00 0.00 58.65 58.92 2kg2 h GLN 92 Cb -0.08 0.09 0.00 0.00 0.05 0.00 0.00 27.48 27.53 2kg2 h GLN 92 CO -0.05 1.06 -0.53 0.00 -1.50 0.00 0.00 178.83 177.81 2kg2 h ALA 93 N 0.84 0.47 -0.57 3.87 0.00 -0.22 -3.11 119.26 120.53 2kg2 h ALA 93 Ca -0.07 -0.51 0.09 0.00 0.00 0.00 0.00 54.91 54.42 2kg2 h ALA 93 Cb 1.72 -0.08 -0.07 0.00 0.00 0.00 0.00 17.79 19.36 2kg2 h ALA 93 CO 0.16 0.67 0.19 0.00 0.00 0.00 0.00 179.25 180.27 2kg2 h ARG 94 N 0.68 0.35 -1.46 0.00 2.47 -0.59 0.81 114.38 116.64 2kg2 h ARG 94 Ca 0.02 -0.02 -0.21 0.00 -1.26 0.00 0.00 59.98 58.51 2kg2 h ARG 94 Cb 1.14 -0.08 -0.10 0.00 -1.65 0.00 0.00 29.97 29.29 2kg2 h ARG 94 CO 0.12 0.23 0.27 0.36 0.56 0.00 0.00 179.97 181.51 2kg2 n LYS 95 N -5.03 1.52 0.00 0.04 2.85 -1.18 -0.78 118.16 115.58 2kg2 n LYS 95 Ca 0.08 -1.07 0.00 0.00 -1.05 0.00 0.00 58.31 56.26 2kg2 n LYS 95 Cb 0.26 -1.42 0.00 0.00 -0.65 0.00 0.00 35.03 33.22 2kg2 n LYS 95 CO 0.00 0.00 0.00 -2.13 -0.05 0.00 0.00 177.40 175.22 2kg2 n ARG 96 N 0.46 0.00 -0.03 -1.58 3.00 -0.29 -4.72 116.66 113.50 2kg2 n ARG 96 Ca 0.21 0.00 -0.01 0.00 -0.00 0.00 0.00 57.85 58.04 2kg2 n ARG 96 Cb 0.66 -0.14 -0.13 0.00 0.00 0.00 0.00 32.46 32.85 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 -2.19 0.35 -0.66 6.15 -0.00 0.12 -4.17 117.00 116.59 2kg2 n LEU 97 Ca 0.00 0.15 0.06 0.00 -0.00 0.00 0.00 56.01 56.22 2kg2 n LEU 97 Cb 0.00 0.22 0.16 0.00 -0.00 0.00 0.00 43.42 43.80 2kg2 n LEU 97 CO 0.00 0.25 0.64 1.07 -0.00 0.00 0.00 177.39 179.35 2kg2 n THR 98 N -2.70 1.12 -1.17 1.47 5.66 0.04 -4.06 114.28 114.64 2kg2 n THR 98 Ca -0.17 -1.08 -0.30 0.00 -3.05 0.00 0.00 64.05 59.44 2kg2 n THR 98 Cb 0.90 0.43 0.12 0.00 -1.55 0.00 0.00 70.33 70.23 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 -1.17 1.66 0.00 1.09 -2.85 -1.12 -4.84 119.74 112.51 2kg2 s LYS 99 Ca 0.25 1.04 0.05 0.00 -1.00 0.00 0.00 55.97 56.31 2kg2 s LYS 99 Cb 0.14 -1.84 0.13 0.00 -2.06 0.00 0.00 37.83 34.21 2kg2 s LYS 99 CO 0.15 -2.02 1.05 2.89 0.10 0.00 0.00 175.35 177.52 2kg2 n ARG 100 N -3.77 2.44 0.07 1.78 1.85 -1.26 -4.57 116.66 113.21 2kg2 n ARG 100 Ca 0.08 -1.62 -0.08 0.00 -1.00 0.00 0.00 57.85 55.23 2kg2 n ARG 100 Cb 0.54 -1.13 -0.11 0.00 -1.05 0.00 0.00 32.46 30.72 2kg2 n ARG 100 CO 0.00 0.00 0.00 1.03 -0.01 0.00 0.00 177.63 178.65 2kg2 h SER 101 N 1.00 0.05 -1.34 2.89 0.87 -1.93 -3.45 113.55 111.64 2kg2 h SER 101 Ca 0.00 -0.05 -0.57 0.00 -1.23 0.00 0.00 61.79 59.94 2kg2 h SER 101 Cb 0.55 -0.02 -0.07 0.00 -0.44 0.00 0.00 62.40 62.42 2kg2 h SER 101 CO 0.00 1.02 -0.45 -1.61 -0.53 0.00 0.00 176.83 175.26 2kg2 s GLU 102 N -2.76 2.27 0.00 2.24 2.02 -1.26 -5.10 118.70 116.10 2kg2 s GLU 102 Ca 0.00 -1.87 0.00 0.00 0.02 0.00 0.00 54.97 53.13 2kg2 s GLU 102 Cb 0.10 -2.02 0.00 0.00 0.10 0.00 0.00 34.13 32.31 2kg2 s GLU 102 CO 0.82 -0.22 0.00 -0.85 0.02 0.00 0.00 175.26 175.03 2kg2 n GLU 103 N -1.36 0.00 -3.30 1.61 0.28 -1.26 -4.95 120.64 111.66 2kg2 n GLU 103 Ca -0.02 0.00 -0.38 0.00 -0.16 0.00 0.00 57.16 56.60 2kg2 n GLU 103 Cb 0.64 0.00 -0.06 0.00 1.43 0.00 0.00 31.44 33.45 2kg2 n GLU 103 CO 0.00 0.00 0.00 0.08 -0.16 0.00 0.00 177.13 177.05 2kg2 s VAL 104 N -0.84 5.18 0.10 3.84 1.01 -1.26 -3.40 120.40 125.04 2kg2 s VAL 104 Ca 0.00 0.97 0.08 0.00 0.00 0.00 0.00 61.98 63.03 2kg2 s VAL 104 Cb 0.00 -3.83 -0.03 0.00 0.00 0.00 0.00 36.38 32.52 2kg2 s VAL 104 CO 0.00 0.32 -0.19 0.68 0.00 0.00 0.00 175.10 175.90 2kg2 s VAL 105 N 0.66 1.62 -0.43 2.92 -7.23 -1.09 -5.00 120.40 111.86 2kg2 s VAL 105 Ca 0.26 -1.54 -0.07 0.00 -1.81 0.00 0.00 61.98 58.83 2kg2 s VAL 105 Cb -0.15 -1.50 0.10 0.00 0.56 0.00 0.00 36.38 35.39 2kg2 s VAL 105 CO 0.11 -0.11 0.26 -0.13 -0.31 0.00 0.00 175.10 174.91 2kg2 s ARG 106 N -1.97 2.34 0.06 4.82 0.52 -1.26 -3.00 118.95 120.47 2kg2 s ARG 106 Ca 0.06 -1.69 0.01 0.00 -0.52 0.00 0.00 55.73 53.59 2kg2 s ARG 106 Cb -0.10 -3.74 -0.04 0.00 0.52 0.00 0.00 34.95 31.60 2kg2 s ARG 106 CO 0.04 -1.07 0.15 -0.51 0.02 0.00 0.00 175.30 173.93 2kg2 s LEU 107 N 1.30 4.10 -0.17 2.53 1.43 0.03 0.59 118.68 128.48 2kg2 s LEU 107 Ca 0.05 0.15 0.00 0.00 -1.03 0.00 0.00 54.13 53.30 2kg2 s LEU 107 Cb -0.24 -2.71 0.04 0.00 0.03 0.00 0.00 46.19 43.30 2kg2 s LEU 107 CO -0.01 0.18 -0.10 -0.76 0.23 0.00 0.00 176.35 175.89 2kg2 s LEU 108 N -2.40 1.92 0.26 1.79 1.02 0.15 0.63 118.68 122.05 2kg2 s LEU 108 Ca 0.32 -0.71 0.11 0.00 0.02 0.00 0.00 54.13 53.87 2kg2 s LEU 108 Cb -0.13 -1.12 -0.05 0.00 0.02 0.00 0.00 46.19 44.91 2kg2 s LEU 108 CO 0.24 -0.13 -0.14 0.68 0.02 0.00 0.00 176.35 177.03 2kg2 s VAL 109 N 1.49 2.82 -0.11 -1.59 -7.23 -0.13 -0.76 120.40 114.89 2kg2 s VAL 109 Ca 0.01 -2.17 0.02 0.00 -1.81 0.00 0.00 61.98 58.03 2kg2 s VAL 109 Cb -0.15 -2.47 -0.01 0.00 0.56 0.00 0.00 36.38 34.31 2kg2 s VAL 109 CO -0.09 -0.35 -0.19 0.42 -0.31 0.00 0.00 175.10 174.59 2kg2 s THR 110 N -2.32 2.53 -1.36 5.32 -4.23 0.34 -0.56 115.64 115.37 2kg2 s THR 110 Ca 0.29 -0.85 0.28 0.00 -1.18 0.00 0.00 61.69 60.23 2kg2 s THR 110 Cb -0.06 -2.02 0.45 0.00 1.34 0.00 0.00 72.50 72.21 2kg2 s THR 110 CO 0.16 0.54 1.95 0.54 -0.54 0.00 0.00 174.62 177.27 2kg2 n ARG 111 N 3.53 0.33 -0.94 3.99 1.74 0.81 -4.19 116.66 121.93 2kg2 n ARG 111 Ca -0.19 0.02 0.00 0.00 -0.77 0.00 0.00 57.85 56.92 2kg2 n ARG 111 Cb 0.53 -1.50 0.00 0.00 -1.02 0.00 0.00 32.46 30.47 2kg2 n ARG 111 CO 0.00 0.00 0.00 1.04 -1.52 0.00 0.00 177.63 177.15 2kg2 n GLN 112 N -1.32 -1.46 0.00 5.56 1.13 -1.26 -4.80 117.38 115.22 2kg2 n GLN 112 Ca 0.12 0.37 0.00 0.00 -1.94 0.00 0.00 57.00 55.55 2kg2 n GLN 112 Cb 0.24 -4.63 0.00 0.00 0.11 0.00 0.00 30.24 25.96 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 -0.73 1.50 -0.08 1.08 3.41 -1.26 -3.87 113.62 113.67 2kg2 n SER 113 Ca 0.00 -1.58 0.14 0.00 -0.26 0.00 0.00 58.87 57.16 2kg2 n SER 113 Cb 0.37 -0.40 0.55 0.00 -0.26 0.00 0.00 64.21 64.47 2kg2 n SER 113 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2kg2 n LEU 114 N 0.33 0.41 0.00 1.04 -0.00 -1.26 -4.40 117.00 113.11 2kg2 n LEU 114 Ca 0.00 0.09 0.00 0.00 -0.00 0.00 0.00 56.01 56.10 2kg2 n LEU 114 Cb 0.29 -0.25 0.00 0.00 -0.00 0.00 0.00 43.42 43.46 2kg2 n LEU 114 CO 0.00 0.08 0.00 1.67 -0.00 0.00 0.00 177.39 179.14 2kg2 n GLN 115 N -1.13 0.00 -2.40 1.47 7.27 -1.25 -4.98 117.38 116.36 2kg2 n GLN 115 Ca 0.12 0.00 -0.40 0.00 0.07 0.00 0.00 57.00 56.79 2kg2 n GLN 115 Cb 0.30 -0.00 0.02 0.00 2.41 0.00 0.00 30.24 32.97 2kg2 n GLN 115 CO 0.00 0.00 0.00 1.63 0.07 0.00 0.00 177.06 178.76 2kg2 n LYS 116 N -2.17 4.40 0.04 3.69 5.02 -1.26 -4.16 118.16 123.72 2kg2 n LYS 116 Ca 0.00 -4.28 0.00 0.00 -2.02 0.00 0.00 58.31 52.01 2kg2 n LYS 116 Cb 0.00 -2.39 0.00 0.00 -0.02 0.00 0.00 35.03 32.62 2kg2 n LYS 116 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 2kg2 n ALA 117 N -0.24 3.00 -2.64 7.82 0.00 -1.26 -4.77 120.51 122.42 2kg2 n ALA 117 Ca 0.49 0.00 -0.33 0.00 0.00 0.00 0.00 53.44 53.60 2kg2 n ALA 117 Cb 0.26 0.21 -0.01 0.00 0.00 0.00 0.00 19.45 19.92 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 -3.35 3.87 -3.21 0.00 0.31 -1.26 -4.77 118.33 109.92 2kg2 n VAL 118 Ca 0.00 -5.42 0.01 0.00 -0.01 0.00 0.00 64.34 58.92 2kg2 n VAL 118 Cb 0.00 -1.40 -0.01 0.00 -0.91 0.00 0.00 33.84 31.52 2kg2 n VAL 118 CO 0.00 0.00 0.00 -1.58 -1.32 0.00 0.00 176.83 173.93 2kg2 s GLN 119 N -3.81 0.75 -0.27 5.55 0.74 -1.26 -4.99 119.66 116.38 2kg2 s GLN 119 Ca 0.46 -0.12 0.15 0.00 0.05 0.00 0.00 55.36 55.90 2kg2 s GLN 119 Cb 0.30 0.08 0.48 0.00 1.10 0.00 0.00 33.01 34.97 2kg2 s GLN 119 CO -0.18 -1.16 1.15 1.04 -0.55 0.00 0.00 175.29 175.59 2kg2 n GLN 120 N 4.62 2.59 -0.11 1.67 6.02 -1.26 -4.75 117.38 126.17 2kg2 n GLN 120 Ca 0.10 -3.79 -0.06 0.00 -0.01 0.00 0.00 57.00 53.23 2kg2 n GLN 120 Cb 0.56 -1.90 0.06 0.00 1.02 0.00 0.00 30.24 29.98 2kg2 n GLN 120 CO 0.00 0.00 0.00 -1.13 -1.01 0.00 0.00 177.06 174.92 2kg2 n SER 121 N -0.64 -2.05 0.00 1.08 3.41 -1.26 -4.25 113.62 109.91 2kg2 n SER 121 Ca 0.25 -0.34 0.00 0.00 -0.26 0.00 0.00 58.87 58.52 2kg2 n SER 121 Cb 0.89 -0.21 0.00 0.00 -0.26 0.00 0.00 64.21 64.62 2kg2 n SER 121 CO 0.00 0.00 0.00 0.80 -0.16 0.00 0.00 175.04 175.68 2kg2 n MET 122 N -2.61 0.00 -2.04 4.33 0.00 -1.26 -4.91 117.12 110.63 2kg2 n MET 122 Ca 0.03 0.00 -0.43 0.00 -0.00 0.00 0.00 57.70 57.30 2kg2 n MET 122 Cb 0.13 -0.02 -0.03 0.00 0.00 0.00 0.00 33.22 33.30 2kg2 n MET 122 CO 0.00 0.00 0.00 -1.17 0.00 0.00 0.00 175.97 174.80 2kg2 s LEU 123 N 0.00 3.83 0.00 -0.89 1.98 -1.26 -5.36 118.68 116.97 2kg2 s LEU 123 Ca 0.00 1.64 0.00 0.00 -2.89 0.00 0.00 54.13 52.88 2kg2 s LEU 123 Cb 0.00 -3.53 0.00 0.00 0.66 0.00 0.00 46.19 43.32 2kg2 s LEU 123 CO 0.00 -1.37 0.00 -1.20 -1.89 0.00 0.00 176.35 171.89