#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 0.61 0.00 1.61 2.88 -1.26 -5.03 113.62 112.43 2kg2 n SER 2 Ca 0.00 -0.83 0.00 0.00 -1.33 0.00 0.00 58.87 56.71 2kg2 n SER 2 Cb 0.00 0.28 0.00 0.00 -0.75 0.00 0.00 64.21 63.74 2kg2 n SER 2 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 2kg2 n TYR 3 N -0.28 0.00 -2.37 0.66 9.36 -1.26 -4.80 117.16 118.47 2kg2 n TYR 3 Ca 0.00 0.00 -0.05 0.00 3.32 0.00 0.00 57.90 61.17 2kg2 n TYR 3 Cb 0.02 0.00 -0.04 0.00 -0.63 0.00 0.00 39.34 38.69 2kg2 n TYR 3 CO 0.00 0.00 0.00 -0.89 0.22 0.00 0.00 176.86 176.19 2kg2 n ILE 4 N 0.00-10.98 -2.02 2.97 5.41 -1.26 -4.98 119.36 108.50 2kg2 n ILE 4 Ca 0.00 2.24 -0.34 0.00 1.00 0.00 0.00 62.75 65.65 2kg2 n ILE 4 Cb 0.00 -5.97 0.02 0.00 -0.71 0.00 0.00 39.64 32.99 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 -0.75 3.11 -0.15 0.38 0.04 -1.26 -4.92 135.00 131.45 2kg2 s PRO 5 Ca -0.23 1.47 -0.01 0.00 0.04 0.00 0.00 61.00 62.27 2kg2 s PRO 5 Cb 0.02 -1.99 0.08 0.00 0.04 0.00 0.00 34.50 32.65 2kg2 s PRO 5 CO 0.64 -1.02 2.11 0.41 0.04 0.00 0.00 177.00 179.18 2kg2 n GLY 6 N -0.25 3.27 3.70 0.56 0.00 -1.26 -4.88 105.19 106.33 2kg2 n GLY 6 Ca 0.11 -0.59 -0.41 0.00 0.00 0.00 0.00 46.02 45.13 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 -0.78 4.45 0.00 1.61 0.74 -1.26 -4.76 119.66 119.66 2kg2 s GLN 7 Ca 0.18 1.17 0.00 0.00 0.05 0.00 0.00 55.36 56.76 2kg2 s GLN 7 Cb 0.13 -3.49 0.00 0.00 1.10 0.00 0.00 33.01 30.75 2kg2 s GLN 7 CO -0.01 -0.10 0.00 -0.35 -0.55 0.00 0.00 175.29 174.28 2kg2 n PRO 8 N 4.27 0.00 0.12 1.67 -0.04 -1.26 -5.04 135.00 134.72 2kg2 n PRO 8 Ca 0.04 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.50 2kg2 n PRO 8 Cb 0.50 -0.06 0.00 0.00 -0.04 0.00 0.00 33.50 33.91 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 -0.06 0.16 -0.10 0.52 0.24 -1.26 -4.98 118.33 112.85 2kg2 n VAL 9 Ca 0.00 0.05 -0.20 0.00 -2.04 0.00 0.00 64.34 62.16 2kg2 n VAL 9 Cb 0.00 -0.66 -0.10 0.00 -1.47 0.00 0.00 33.84 31.61 2kg2 n VAL 9 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 2kg2 h THR 10 N 0.00 0.83 -3.91 3.34 1.03 -2.00 -3.47 112.91 108.73 2kg2 h THR 10 Ca 0.00 -2.05 -0.52 0.00 -0.01 0.00 0.00 66.41 63.83 2kg2 h THR 10 Cb 0.02 1.99 0.06 0.00 -1.07 0.00 0.00 68.15 69.15 2kg2 h THR 10 CO 0.00 0.28 0.59 0.00 -0.01 0.00 0.00 175.52 176.38 2kg2 s ALA 11 N -2.40 3.35 -0.14 0.00 0.00 -1.26 -5.00 121.76 116.31 2kg2 s ALA 11 Ca -0.27 1.17 -0.04 0.00 0.00 0.00 0.00 51.96 52.82 2kg2 s ALA 11 Cb 0.05 -3.45 -0.03 0.00 0.00 0.00 0.00 23.12 19.69 2kg2 s ALA 11 CO 0.55 -0.64 -0.02 0.54 0.00 0.00 0.00 175.76 176.20 2kg2 s VAL 12 N -1.23 4.08 -0.09 0.00 0.11 -1.26 -4.06 120.40 117.95 2kg2 s VAL 12 Ca 0.52 -0.30 -0.05 0.00 -2.93 0.00 0.00 61.98 59.23 2kg2 s VAL 12 Cb -0.37 -2.77 -0.04 0.00 -1.53 0.00 0.00 36.38 31.67 2kg2 s VAL 12 CO 0.48 0.52 0.10 0.54 -3.33 0.00 0.00 175.10 173.41 2kg2 s VAL 13 N 0.06 5.10 -0.02 2.04 0.11 -1.26 -0.39 120.40 126.04 2kg2 s VAL 13 Ca 0.01 -0.00 -0.11 0.00 -2.93 0.00 0.00 61.98 58.94 2kg2 s VAL 13 Cb -0.13 -3.23 0.01 0.00 -1.53 0.00 0.00 36.38 31.50 2kg2 s VAL 13 CO 0.02 0.57 0.24 0.00 -3.33 0.00 0.00 175.10 172.60 2kg2 s GLN 14 N -1.13 0.56 -0.02 1.54 1.03 0.21 -4.95 119.66 116.89 2kg2 s GLN 14 Ca 0.16 -0.22 -0.05 0.00 0.04 0.00 0.00 55.36 55.30 2kg2 s GLN 14 Cb -0.12 0.24 -0.04 0.00 0.03 0.00 0.00 33.01 33.12 2kg2 s GLN 14 CO 0.06 -0.14 0.20 -0.98 -2.54 0.00 0.00 175.29 171.89 2kg2 s ARG 15 N -1.20 3.49 0.13 9.60 1.04 -1.26 -0.83 118.95 129.91 2kg2 s ARG 15 Ca -0.13 -0.20 0.08 0.00 -1.04 0.00 0.00 55.73 54.44 2kg2 s ARG 15 Cb -0.06 -3.11 -0.04 0.00 -2.04 0.00 0.00 34.95 29.71 2kg2 s ARG 15 CO 0.03 0.69 -0.18 0.08 -0.04 0.00 0.00 175.30 175.87 2kg2 s VAL 16 N -1.26 1.64 -0.27 4.99 1.01 0.22 -4.90 120.40 121.82 2kg2 s VAL 16 Ca 0.25 -1.71 -0.04 0.00 0.00 0.00 0.00 61.98 60.49 2kg2 s VAL 16 Cb -0.13 -1.63 0.10 0.00 0.00 0.00 0.00 36.38 34.72 2kg2 s VAL 16 CO 0.15 -0.24 0.13 -0.70 0.00 0.00 0.00 175.10 174.45 2kg2 s GLU 17 N -2.38 0.18 -0.20 2.72 2.12 -1.26 -0.36 118.70 119.51 2kg2 s GLU 17 Ca 0.10 -0.44 -0.24 0.00 0.36 0.00 0.00 54.97 54.74 2kg2 s GLU 17 Cb -0.07 -1.22 -0.01 0.00 0.26 0.00 0.00 34.13 33.08 2kg2 s GLU 17 CO 0.05 -0.97 0.79 0.42 -0.54 0.00 0.00 175.26 175.01 2kg2 s ILE 18 N 2.12 4.89 0.09 -3.70 1.09 -1.01 -4.64 121.20 120.04 2kg2 s ILE 18 Ca 0.08 1.52 -0.09 0.00 -1.10 0.00 0.00 60.65 61.06 2kg2 s ILE 18 Cb -0.16 -4.09 -0.06 0.00 -1.06 0.00 0.00 42.46 37.09 2kg2 s ILE 18 CO -0.33 0.01 0.39 -1.00 -0.10 0.00 0.00 174.94 173.91 2kg2 s HIS 19 N 2.35 3.56 -0.29 3.97 3.76 -1.26 -2.35 115.29 125.03 2kg2 s HIS 19 Ca 0.35 0.75 -0.26 0.00 -0.15 0.00 0.00 55.06 55.75 2kg2 s HIS 19 Cb -0.16 -2.13 -0.11 0.00 1.11 0.00 0.00 32.58 31.29 2kg2 s HIS 19 CO 0.10 0.51 1.15 0.36 -0.85 0.00 0.00 174.74 176.00 2kg2 n LYS 20 N 0.79 0.00 -4.10 1.40 0.00 -0.89 -4.70 118.16 110.66 2kg2 n LYS 20 Ca -0.07 0.00 -0.32 0.00 -0.00 0.00 0.00 58.31 57.91 2kg2 n LYS 20 Cb 0.52 -0.87 -0.16 0.00 -0.00 0.00 0.00 35.03 34.52 2kg2 n LYS 20 CO 0.00 0.00 0.00 -1.17 0.00 0.00 0.00 177.40 176.23 2kg2 s LEU 21 N 2.94 2.37 -0.32 -5.58 2.96 -1.23 -5.04 118.68 114.78 2kg2 s LEU 21 Ca 0.67 -0.80 -0.15 0.00 -0.22 0.00 0.00 54.13 53.63 2kg2 s LEU 21 Cb -0.87 -1.46 -0.02 0.00 0.50 0.00 0.00 46.19 44.33 2kg2 s LEU 21 CO 0.41 -0.05 0.38 -0.13 -1.32 0.00 0.00 176.35 175.65 2kg2 s ARG 22 N 1.27 3.74 -0.37 1.98 3.00 -1.26 -0.48 118.95 126.82 2kg2 s ARG 22 Ca 0.02 -0.22 -0.06 0.00 0.00 0.00 0.00 55.73 55.46 2kg2 s ARG 22 Cb -0.15 -3.75 0.06 0.00 0.00 0.00 0.00 34.95 31.12 2kg2 s ARG 22 CO -0.11 -0.45 0.16 -0.65 0.00 0.00 0.00 175.30 174.25 2kg2 s GLN 23 N 2.08 2.50 5.06 3.54 -0.21 0.46 -4.93 119.66 128.16 2kg2 s GLN 23 Ca 0.14 -1.37 0.00 0.00 0.02 0.00 0.00 55.36 54.14 2kg2 s GLN 23 Cb -0.16 -3.55 0.00 0.00 1.00 0.00 0.00 33.01 30.30 2kg2 s GLN 23 CO 0.11 -0.81 0.00 0.41 -2.12 0.00 0.00 175.29 172.88 2kg2 n GLY 24 N 4.79 1.18 0.32 3.09 0.00 -1.26 -1.41 105.19 111.90 2kg2 n GLY 24 Ca -0.10 0.28 0.06 0.00 0.00 0.00 0.00 46.02 46.26 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 1.67 -3.97 1.61 1.02 -1.26 -5.01 120.64 114.70 2kg2 n GLU 25 Ca 0.00 -0.80 -0.23 0.00 -0.02 0.00 0.00 57.16 56.11 2kg2 n GLU 25 Cb 0.00 -1.16 -0.06 0.00 -0.02 0.00 0.00 31.44 30.20 2kg2 n GLU 25 CO 0.00 0.00 0.00 -0.80 1.18 0.00 0.00 177.13 177.51 2kg2 s ASN 26 N -1.40 4.72 -0.18 1.62 0.01 -0.50 -5.10 114.94 114.11 2kg2 s ASN 26 Ca 0.11 -0.85 -0.01 0.00 -0.71 0.00 0.00 52.86 51.40 2kg2 s ASN 26 Cb 0.10 -0.62 0.00 0.00 0.41 0.00 0.00 41.25 41.13 2kg2 s ASN 26 CO 0.26 -0.46 -0.13 -0.22 -1.51 0.00 0.00 177.10 175.04 2kg2 s LEU 27 N -3.94 2.52 0.09 0.60 1.98 -1.26 -0.41 118.68 118.26 2kg2 s LEU 27 Ca 0.41 -0.49 0.03 0.00 -2.89 0.00 0.00 54.13 51.19 2kg2 s LEU 27 Cb -0.01 -1.60 -0.04 0.00 0.66 0.00 0.00 46.19 45.21 2kg2 s LEU 27 CO 0.24 0.03 -0.09 -0.63 -1.89 0.00 0.00 176.35 174.01 2kg2 s ILE 28 N 1.15 0.86 -2.10 6.68 1.01 0.37 -3.79 121.20 125.38 2kg2 s ILE 28 Ca 0.01 -1.63 0.27 0.00 0.00 0.00 0.00 60.65 59.30 2kg2 s ILE 28 Cb -0.14 -1.33 0.73 0.00 0.01 0.00 0.00 42.46 41.72 2kg2 s ILE 28 CO -0.05 -0.59 1.98 0.18 0.00 0.00 0.00 174.94 176.46 2kg2 n LEU 29 N 0.56 0.36 0.00 2.97 4.32 -1.24 -3.57 117.00 120.40 2kg2 n LEU 29 Ca -0.16 -0.13 0.00 0.00 -0.02 0.00 0.00 56.01 55.70 2kg2 n LEU 29 Cb 0.58 -0.01 0.00 0.00 -1.62 0.00 0.00 43.42 42.37 2kg2 n LEU 29 CO 0.27 0.06 0.00 0.61 -1.22 0.00 0.00 177.39 177.11 2kg2 n GLY 30 N 0.98 2.05 3.94 -0.72 0.00 -1.26 -3.91 105.19 106.27 2kg2 n GLY 30 Ca 0.20 -0.39 -0.24 0.00 0.00 0.00 0.00 46.02 45.59 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 -0.30 3.22 0.55 1.61 -0.71 -1.26 -2.89 117.98 118.20 2kg2 s PHE 31 Ca 0.00 0.34 0.03 0.00 -1.04 0.00 0.00 56.93 56.26 2kg2 s PHE 31 Cb 0.00 -2.44 0.03 0.00 -1.21 0.00 0.00 43.02 39.40 2kg2 s PHE 31 CO 0.00 -0.50 0.26 -1.54 -1.34 0.00 0.00 175.22 172.10 2kg2 s SER 32 N -4.25 4.44 0.17 1.98 1.04 0.21 -4.81 113.70 112.47 2kg2 s SER 32 Ca 0.50 -1.46 -0.00 0.00 0.48 0.00 0.00 55.95 55.47 2kg2 s SER 32 Cb -0.10 0.62 -0.04 0.00 0.10 0.00 0.00 66.02 66.59 2kg2 s SER 32 CO 0.40 -1.08 0.07 0.27 0.98 0.00 0.00 173.24 173.87 2kg2 s ILE 33 N -2.85 0.25 -0.04 -1.02 -4.36 -1.26 -2.94 121.20 108.98 2kg2 s ILE 33 Ca 0.20 -1.95 0.10 0.00 -0.26 0.00 0.00 60.65 58.73 2kg2 s ILE 33 Cb -0.02 -2.23 -0.15 0.00 1.25 0.00 0.00 42.46 41.31 2kg2 s ILE 33 CO 0.12 -0.31 0.17 0.61 0.24 0.00 0.00 174.94 175.78 2kg2 n GLY 34 N -0.21 -0.49 0.00 6.27 0.00 0.36 -4.57 105.19 106.55 2kg2 n GLY 34 Ca -0.03 -0.23 0.00 0.00 0.00 0.00 0.00 46.02 45.76 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 2.04 2.56 0.00 -0.02 0.00 -1.26 -4.93 105.19 103.58 2kg2 n GLY 35 Ca -0.06 -2.03 0.00 0.00 0.00 0.00 0.00 46.02 43.93 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 -1.34 1.70 0.25 -0.02 0.00 -1.25 -3.28 105.19 101.25 2kg2 n GLY 36 Ca 0.00 0.00 0.11 0.00 0.00 0.00 0.00 46.02 46.13 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 0.68 0.00 -0.61 -2.65 -1.83 -1.58 117.51 111.51 2kg2 h ILE 37 Ca 0.00 -0.63 0.00 0.00 1.03 0.00 0.00 64.86 65.26 2kg2 h ILE 37 Cb 0.00 1.40 0.00 0.00 -2.05 0.00 0.00 36.82 36.17 2kg2 h ILE 37 CO 0.00 0.15 0.00 -0.78 0.03 0.00 0.00 178.15 177.55 2kg2 h ASP 38 N 0.00 0.00 -2.07 2.16 3.58 -1.93 -3.45 116.42 114.70 2kg2 h ASP 38 Ca -0.00 0.00 -0.45 0.00 0.42 0.00 0.00 57.03 57.00 2kg2 h ASP 38 Cb 0.38 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.44 2kg2 h ASP 38 CO 0.02 0.00 -0.33 -1.10 -2.88 0.00 0.00 179.24 174.95 2kg2 s GLN 39 N -3.49 3.23 -0.49 0.28 -1.52 -0.60 -5.05 119.66 112.03 2kg2 s GLN 39 Ca 0.02 -0.84 -0.21 0.00 -1.95 0.00 0.00 55.36 52.38 2kg2 s GLN 39 Cb 0.09 -2.80 0.04 0.00 -0.22 0.00 0.00 33.01 30.12 2kg2 s GLN 39 CO 0.43 0.14 0.70 -0.51 -0.25 0.00 0.00 175.29 175.81 2kg2 s ASP 40 N -4.11 6.29 0.61 5.90 1.11 -1.26 -4.92 116.67 120.28 2kg2 s ASP 40 Ca 0.42 -0.54 0.38 0.00 0.18 0.00 0.00 52.55 52.99 2kg2 s ASP 40 Cb -0.09 -2.33 1.92 0.00 1.07 0.00 0.00 42.92 43.48 2kg2 s ASP 40 CO 0.31 -0.91 2.20 1.55 1.18 0.00 0.00 175.17 179.50 2kg2 h PRO 41 N 9.01 0.00 -0.19 8.23 0.13 -1.90 0.16 132.00 147.44 2kg2 h PRO 41 Ca -0.26 0.00 -0.04 0.00 -0.87 0.00 0.00 66.00 64.83 2kg2 h PRO 41 Cb 1.09 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.21 2kg2 h PRO 41 CO 0.96 0.02 -0.06 0.77 -0.23 0.00 0.00 178.00 179.46 2kg2 h SER 42 N 0.00 0.27 0.00 1.44 0.02 -1.88 -3.15 113.55 110.26 2kg2 h SER 42 Ca -0.00 -0.05 0.00 0.00 -0.84 0.00 0.00 61.79 60.90 2kg2 h SER 42 Cb 0.22 -0.07 0.00 0.00 0.14 0.00 0.00 62.40 62.69 2kg2 h SER 42 CO 0.00 0.38 0.00 0.00 -1.14 0.00 0.00 176.83 176.07 2kg2 n GLN 43 N -4.31 0.85 -3.64 3.45 6.02 0.37 -4.94 117.38 115.17 2kg2 n GLN 43 Ca -0.00 -0.89 -0.35 0.00 -0.01 0.00 0.00 57.00 55.75 2kg2 n GLN 43 Cb 0.23 -0.93 -0.05 0.00 1.02 0.00 0.00 30.24 30.51 2kg2 n GLN 43 CO 0.00 0.00 0.00 -0.80 -1.01 0.00 0.00 177.06 175.25 2kg2 s ASN 44 N -0.43 6.59 0.17 1.08 0.01 -0.12 -5.01 114.94 117.24 2kg2 s ASN 44 Ca 0.00 0.71 -0.10 0.00 -0.71 0.00 0.00 52.86 52.76 2kg2 s ASN 44 Cb 0.00 -2.15 0.03 0.00 0.41 0.00 0.00 41.25 39.55 2kg2 s ASN 44 CO 0.00 0.21 1.60 1.55 -1.51 0.00 0.00 177.10 178.94 2kg2 h PRO 45 N 3.84 1.03 -0.01 -0.60 0.13 -1.90 -2.05 132.00 132.44 2kg2 h PRO 45 Ca -0.49 -0.38 -0.00 0.00 -0.87 0.00 0.00 66.00 64.26 2kg2 h PRO 45 Cb 1.19 -0.07 -0.00 0.00 0.13 0.00 0.00 31.00 32.26 2kg2 h PRO 45 CO 0.66 1.07 -0.06 1.19 -0.23 0.00 0.00 178.00 180.63 2kg2 n PHE 46 N -4.16 0.05 -0.41 1.56 3.72 -1.26 -4.32 117.46 112.63 2kg2 n PHE 46 Ca 0.01 -1.06 0.00 0.00 -0.05 0.00 0.00 57.45 56.35 2kg2 n PHE 46 Cb 0.40 -0.17 0.00 0.00 -0.94 0.00 0.00 39.48 38.76 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 -1.36 0.89 -0.16 4.37 2.88 -1.16 -4.69 113.62 114.39 2kg2 n SER 47 Ca 0.17 -1.30 0.15 0.00 -1.33 0.00 0.00 58.87 56.56 2kg2 n SER 47 Cb 0.66 0.00 0.76 0.00 -0.75 0.00 0.00 64.21 64.88 2kg2 n SER 47 CO 0.00 0.00 0.00 -1.84 -1.23 0.00 0.00 175.04 171.97 2kg2 n GLU 48 N -0.15 1.11 0.06 -1.46 0.28 -0.78 -3.70 120.64 116.00 2kg2 n GLU 48 Ca 0.00 -0.32 -0.21 0.00 -0.16 0.00 0.00 57.16 56.47 2kg2 n GLU 48 Cb 0.23 -1.49 -0.13 0.00 1.43 0.00 0.00 31.44 31.48 2kg2 n GLU 48 CO 0.00 0.00 0.00 0.38 -0.16 0.00 0.00 177.13 177.35 2kg2 h ASP 49 N 0.78 0.71 -2.08 -1.84 2.03 -1.83 -3.48 116.42 110.71 2kg2 h ASP 49 Ca 0.00 -0.84 -0.03 0.00 -0.73 0.00 0.00 57.03 55.44 2kg2 h ASP 49 Cb 0.22 -0.22 -0.01 0.00 -0.83 0.00 0.00 39.33 38.49 2kg2 h ASP 49 CO 0.00 1.48 -0.02 0.29 -1.03 0.00 0.00 179.24 179.95 2kg2 n LYS 50 N -3.97 0.03 0.00 4.15 5.02 -1.24 -5.02 118.16 117.13 2kg2 n LYS 50 Ca -0.13 -0.19 0.11 0.00 -2.02 0.00 0.00 58.31 56.08 2kg2 n LYS 50 Cb 0.88 0.16 0.05 0.00 -0.02 0.00 0.00 35.03 36.11 2kg2 n LYS 50 CO 0.00 0.00 0.00 0.25 -0.52 0.00 0.00 177.40 177.13 2kg2 n THR 51 N -0.04 0.00 -2.12 -0.18 -2.24 -1.26 -4.82 114.28 103.62 2kg2 n THR 51 Ca 0.00 -0.29 -0.43 0.00 -2.27 0.00 0.00 64.05 61.06 2kg2 n THR 51 Cb 0.04 1.22 -0.02 0.00 -2.10 0.00 0.00 70.33 69.46 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 -2.39 6.12 0.57 3.42 2.15 -1.26 -4.91 116.67 120.38 2kg2 s ASP 52 Ca 0.21 1.24 0.04 0.00 0.43 0.00 0.00 52.55 54.47 2kg2 s ASP 52 Cb 0.19 -2.53 0.07 0.00 -0.30 0.00 0.00 42.92 40.34 2kg2 s ASP 52 CO 0.52 -1.54 0.79 -0.54 -0.17 0.00 0.00 175.17 174.23 2kg2 s LYS 53 N 5.25 2.32 0.00 4.34 1.02 -1.26 -4.95 119.74 126.46 2kg2 s LYS 53 Ca 0.73 -1.18 0.00 0.00 0.02 0.00 0.00 55.97 55.54 2kg2 s LYS 53 Cb -0.20 -2.55 0.00 0.00 -0.52 0.00 0.00 37.83 34.56 2kg2 s LYS 53 CO 0.32 -0.85 0.00 0.41 -0.92 0.00 0.00 175.35 174.32 2kg2 n GLY 54 N -2.34 3.42 3.70 -3.33 0.00 -1.26 -4.81 105.19 100.56 2kg2 n GLY 54 Ca 0.12 -1.27 -0.42 0.00 0.00 0.00 0.00 46.02 44.45 2kg2 n GLY 54 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2kg2 s ILE 55 N -2.00 3.80 0.11 -0.61 -1.09 -1.23 -3.80 121.20 116.38 2kg2 s ILE 55 Ca 0.00 1.23 0.07 0.00 -2.23 0.00 0.00 60.65 59.72 2kg2 s ILE 55 Cb 0.00 -3.79 -0.03 0.00 -1.58 0.00 0.00 42.46 37.05 2kg2 s ILE 55 CO 0.00 0.04 -0.17 -0.72 -1.23 0.00 0.00 174.94 172.86 2kg2 s TYR 56 N 1.79 1.54 0.08 3.97 -0.85 -1.20 0.25 117.35 122.93 2kg2 s TYR 56 Ca 0.61 -0.47 -0.30 0.00 -0.52 0.00 0.00 57.07 56.40 2kg2 s TYR 56 Cb -0.31 -0.83 -0.05 0.00 0.38 0.00 0.00 41.96 41.15 2kg2 s TYR 56 CO 0.27 0.17 0.97 0.08 -1.52 0.00 0.00 175.55 175.52 2kg2 s VAL 57 N -1.54 4.59 -0.05 -3.49 1.01 -0.49 -0.49 120.40 119.95 2kg2 s VAL 57 Ca 0.06 2.06 0.15 0.00 0.00 0.00 0.00 61.98 64.24 2kg2 s VAL 57 Cb -0.08 -4.32 -0.22 0.00 0.00 0.00 0.00 36.38 31.76 2kg2 s VAL 57 CO 0.04 0.27 0.27 0.35 0.00 0.00 0.00 175.10 176.02 2kg2 n THR 58 N 3.09 0.23 -3.69 3.92 -2.24 -1.15 -0.86 114.28 113.58 2kg2 n THR 58 Ca 0.03 -0.41 -0.14 0.00 -2.27 0.00 0.00 64.05 61.27 2kg2 n THR 58 Cb 0.50 -0.03 -0.09 0.00 -2.10 0.00 0.00 70.33 68.61 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 -2.89 0.64 0.37 -0.78 1.81 -1.26 -4.86 118.95 111.99 2kg2 s ARG 59 Ca -0.06 0.74 0.04 0.00 -1.72 0.00 0.00 55.73 54.73 2kg2 s ARG 59 Cb 0.08 0.31 0.04 0.00 -0.45 0.00 0.00 34.95 34.94 2kg2 s ARG 59 CO 0.62 -0.08 0.35 1.33 -0.68 0.00 0.00 175.30 176.84 2kg2 n VAL 60 N 2.74 0.00 -2.42 3.52 0.24 -1.26 0.64 118.33 121.79 2kg2 n VAL 60 Ca -0.14 -1.39 -0.43 0.00 -2.04 0.00 0.00 64.34 60.34 2kg2 n VAL 60 Cb 0.56 -0.34 -0.02 0.00 -1.47 0.00 0.00 33.84 32.57 2kg2 n VAL 60 CO 0.00 0.00 0.00 -0.55 -2.14 0.00 0.00 176.83 174.14 2kg2 s SER 61 N -3.21 6.66 0.53 -1.34 0.15 -1.14 -4.63 113.70 110.72 2kg2 s SER 61 Ca 0.27 1.19 0.26 0.00 0.70 0.00 0.00 55.95 58.36 2kg2 s SER 61 Cb -0.02 -2.54 1.40 0.00 -1.71 0.00 0.00 66.02 63.15 2kg2 s SER 61 CO 0.17 -1.10 1.97 1.05 1.20 0.00 0.00 173.24 176.53 2kg2 h GLU 62 N 9.35 0.02 -0.34 5.44 4.11 -1.96 -2.90 114.58 128.30 2kg2 h GLU 62 Ca -0.26 -0.00 -0.26 0.00 0.07 0.00 0.00 59.36 58.91 2kg2 h GLU 62 Cb 1.10 -0.01 -0.25 0.00 0.50 0.00 0.00 28.75 30.10 2kg2 h GLU 62 CO 1.04 0.02 -0.66 0.41 0.07 0.00 0.00 179.01 179.88 2kg2 n GLY 63 N -1.65 1.50 0.00 1.06 0.00 -1.26 -4.99 105.19 99.85 2kg2 n GLY 63 Ca 0.12 -0.55 0.00 0.00 0.00 0.00 0.00 46.02 45.59 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 -0.54 5.21 0.23 -0.02 0.00 -1.10 -5.01 105.19 103.96 2kg2 n GLY 64 Ca -0.00 -1.86 0.07 0.00 0.00 0.00 0.00 46.02 44.22 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 0.58 1.61 0.13 -1.84 -1.27 132.00 131.21 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 -0.01 0.00 0.13 0.00 0.00 31.00 31.12 2kg2 h PRO 65 CO 0.00 0.21 -0.38 0.00 -0.23 0.00 0.00 178.00 177.59 2kg2 h ALA 66 N 1.79 -1.17 -0.01 -0.56 0.00 -1.84 0.18 119.26 117.65 2kg2 h ALA 66 Ca -0.00 -0.19 -0.11 0.00 0.00 0.00 0.00 54.91 54.61 2kg2 h ALA 66 Cb 0.40 0.52 -0.02 0.00 0.00 0.00 0.00 17.79 18.70 2kg2 h ALA 66 CO 0.03 -1.15 -0.53 1.05 0.00 0.00 0.00 179.25 178.65 2kg2 h GLU 67 N -0.91 0.04 -0.64 0.00 -0.00 -1.55 0.32 114.58 111.84 2kg2 h GLU 67 Ca -0.08 -0.02 -0.07 0.00 -0.00 0.00 0.00 59.36 59.19 2kg2 h GLU 67 Cb 0.74 0.00 -0.03 0.00 -0.00 0.00 0.00 28.75 29.46 2kg2 h GLU 67 CO 0.06 0.56 0.12 0.82 -0.00 0.00 0.00 179.01 180.57 2kg2 h ILE 68 N 0.03 1.26 0.04 -1.06 1.08 -1.12 -3.18 117.51 114.56 2kg2 h ILE 68 Ca -0.00 -0.98 -0.08 0.00 -0.39 0.00 0.00 64.86 63.41 2kg2 h ILE 68 Cb 0.95 0.63 0.01 0.00 -3.07 0.00 0.00 36.82 35.34 2kg2 h ILE 68 CO 0.07 0.37 -0.32 0.00 -0.69 0.00 0.00 178.15 177.58 2kg2 h ALA 69 N 1.15 -0.02 0.00 1.87 0.00 -0.46 -3.48 119.26 118.31 2kg2 h ALA 69 Ca 0.20 -0.55 0.00 0.00 0.00 0.00 0.00 54.91 54.56 2kg2 h ALA 69 Cb 0.40 0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.22 2kg2 h ALA 69 CO 0.01 0.14 0.00 0.41 0.00 0.00 0.00 179.25 179.81 2kg2 n GLY 70 N 1.48 -0.45 3.67 0.00 0.00 -0.40 -4.77 105.19 104.72 2kg2 n GLY 70 Ca -0.11 0.00 -0.41 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 4.18 0.26 0.99 2.96 0.10 -4.97 118.68 122.21 2kg2 s LEU 71 Ca 0.00 1.05 0.11 0.00 -0.22 0.00 0.00 54.13 55.07 2kg2 s LEU 71 Cb 0.00 -3.09 -0.05 0.00 0.50 0.00 0.00 46.19 43.56 2kg2 s LEU 71 CO 0.00 -0.31 -0.12 -1.10 -1.32 0.00 0.00 176.35 173.50 2kg2 s GLN 72 N 1.88 1.94 0.07 1.98 -1.52 -1.26 -3.63 119.66 119.12 2kg2 s GLN 72 Ca 0.35 -1.58 -0.31 0.00 -1.95 0.00 0.00 55.36 51.87 2kg2 s GLN 72 Cb -0.16 -1.95 -0.08 0.00 -0.22 0.00 0.00 33.01 30.59 2kg2 s GLN 72 CO 0.12 0.35 1.64 0.42 -0.25 0.00 0.00 175.29 177.57 2kg2 s ILE 73 N -2.34 3.03 0.00 1.08 1.01 -1.26 -2.43 121.20 120.30 2kg2 s ILE 73 Ca 0.30 0.51 0.00 0.00 0.00 0.00 0.00 60.65 61.46 2kg2 s ILE 73 Cb -0.06 -3.33 0.00 0.00 0.01 0.00 0.00 42.46 39.08 2kg2 s ILE 73 CO 0.17 0.00 0.00 0.61 0.00 0.00 0.00 174.94 175.72 2kg2 n GLY 74 N 3.96 1.53 3.68 6.18 0.00 -0.04 -5.00 105.19 115.50 2kg2 n GLY 74 Ca 0.16 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.75 2kg2 n GLY 74 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 2kg2 s ASP 75 N -1.78 6.87 -0.26 1.61 1.01 -1.02 -4.62 116.67 118.47 2kg2 s ASP 75 Ca 0.00 2.04 -0.23 0.00 0.71 0.00 0.00 52.55 55.07 2kg2 s ASP 75 Cb 0.00 -2.56 -0.01 0.00 1.01 0.00 0.00 42.92 41.37 2kg2 s ASP 75 CO 0.00 -0.73 0.77 -0.54 0.21 0.00 0.00 175.17 174.88 2kg2 s LYS 76 N 2.65 4.11 -0.19 8.23 1.02 -1.24 -1.40 119.74 132.93 2kg2 s LYS 76 Ca 0.63 0.75 -0.24 0.00 0.02 0.00 0.00 55.97 57.13 2kg2 s LYS 76 Cb -0.30 -3.67 -0.01 0.00 -0.52 0.00 0.00 37.83 33.33 2kg2 s LYS 76 CO 0.25 -0.53 0.79 0.42 -0.92 0.00 0.00 175.35 175.36 2kg2 s ILE 77 N 2.78 4.90 -0.62 2.17 1.09 0.14 -1.78 121.20 129.87 2kg2 s ILE 77 Ca 0.32 1.52 0.19 0.00 -1.10 0.00 0.00 60.65 61.58 2kg2 s ILE 77 Cb -0.15 -4.09 -0.24 0.00 -1.06 0.00 0.00 42.46 36.92 2kg2 s ILE 77 CO 0.09 0.02 0.69 0.23 -0.10 0.00 0.00 174.94 175.88 2kg2 n MET 78 N 5.35 0.62 -3.64 2.79 2.81 0.64 -3.70 117.12 121.99 2kg2 n MET 78 Ca 0.03 -0.06 -0.08 0.00 -1.81 0.00 0.00 57.70 55.79 2kg2 n MET 78 Cb 0.49 -1.43 -0.07 0.00 -0.71 0.00 0.00 33.22 31.50 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 -3.00 0.69 -0.07 0.03 -0.44 -0.99 -0.34 119.66 115.54 2kg2 s GLN 79 Ca 0.03 1.08 0.01 0.00 -2.50 0.00 0.00 55.36 53.97 2kg2 s GLN 79 Cb 0.14 0.19 0.02 0.00 -1.64 0.00 0.00 33.01 31.72 2kg2 s GLN 79 CO 0.80 -0.13 -0.06 0.08 0.50 0.00 0.00 175.29 176.48 2kg2 s VAL 80 N 1.29 0.78 -1.56 1.34 1.01 -1.26 0.55 120.40 122.55 2kg2 s VAL 80 Ca -0.07 -0.21 -0.11 0.00 0.00 0.00 0.00 61.98 61.58 2kg2 s VAL 80 Cb -0.05 -0.80 0.09 0.00 0.00 0.00 0.00 36.38 35.62 2kg2 s VAL 80 CO -0.15 0.30 0.74 -3.20 0.00 0.00 0.00 175.10 172.80 2kg2 n ASN 81 N 4.42 -2.81 -0.34 3.32 2.85 0.19 0.04 115.26 122.93 2kg2 n ASN 81 Ca -0.18 -0.94 -0.04 0.00 -0.11 0.00 0.00 54.58 53.31 2kg2 n ASN 81 Cb 0.51 -3.21 -0.02 0.00 1.24 0.00 0.00 39.78 38.30 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 -1.64 0.51 0.11 8.20 0.00 -1.26 -4.86 105.19 106.25 2kg2 n GLY 82 Ca -0.05 -0.05 0.11 0.00 0.00 0.00 0.00 46.02 46.02 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 -2.27 0.00 -1.13 1.61 4.27 0.11 -5.06 117.44 114.96 2kg2 n TRP 83 Ca -0.04 0.00 0.00 0.00 -3.89 0.00 0.00 57.50 53.57 2kg2 n TRP 83 Cb 0.45 -0.06 0.00 0.00 -1.36 0.00 0.00 31.31 30.33 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 -1.16 -5.02 0.00 -0.67 -0.08 -1.25 -4.90 116.55 103.47 2kg2 n ASP 84 Ca 0.06 0.59 0.00 0.00 -1.51 0.00 0.00 54.79 53.93 2kg2 n ASP 84 Cb 0.36 -2.62 0.00 0.00 2.34 0.00 0.00 41.12 41.20 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 0.72 -0.25 0.18 -0.67 0.00 0.54 -4.63 117.12 113.01 2kg2 n MET 85 Ca 0.00 -0.44 0.13 0.00 -0.00 0.00 0.00 57.70 57.40 2kg2 n MET 85 Cb 0.00 -0.94 0.61 0.00 0.00 0.00 0.00 33.22 32.89 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 0.03 0.00 -1.81 1.12 1.03 -1.10 -3.34 112.91 108.84 2kg2 h THR 86 Ca 0.00 -0.20 -0.29 0.00 -0.01 0.00 0.00 66.41 65.92 2kg2 h THR 86 Cb 0.02 0.93 -0.29 0.00 -1.07 0.00 0.00 68.15 67.73 2kg2 h THR 86 CO 0.00 0.00 -0.62 -0.32 -0.01 0.00 0.00 175.52 174.57 2kg2 s MET 87 N -3.50 0.56 -0.04 0.00 -2.45 -1.26 -4.43 119.30 108.18 2kg2 s MET 87 Ca 0.01 -0.46 -0.23 0.00 -1.25 0.00 0.00 55.69 53.76 2kg2 s MET 87 Cb 0.09 -0.52 0.05 0.00 1.25 0.00 0.00 34.83 35.69 2kg2 s MET 87 CO 0.37 -1.13 0.50 0.54 1.05 0.00 0.00 175.02 176.35 2kg2 s VAL 88 N 1.87 0.03 0.64 10.11 0.11 -1.26 -5.05 120.40 126.85 2kg2 s VAL 88 Ca 0.14 -0.22 -0.15 0.00 -2.93 0.00 0.00 61.98 58.83 2kg2 s VAL 88 Cb -0.13 -0.81 -0.01 0.00 -1.53 0.00 0.00 36.38 33.90 2kg2 s VAL 88 CO -0.14 -0.12 1.08 0.42 -3.33 0.00 0.00 175.10 173.01 2kg2 s THR 89 N -1.18 3.59 0.23 5.04 -4.23 -1.26 -3.65 115.64 114.17 2kg2 s THR 89 Ca -0.12 0.70 -0.06 0.00 -1.18 0.00 0.00 61.69 61.03 2kg2 s THR 89 Cb -0.03 -3.25 0.19 0.00 1.34 0.00 0.00 72.50 70.75 2kg2 s THR 89 CO 0.07 -0.49 1.76 -0.74 -0.54 0.00 0.00 174.62 174.68 2kg2 h HIS 90 N 0.05 0.58 -0.43 3.99 2.76 -1.91 0.36 115.15 120.55 2kg2 h HIS 90 Ca -0.46 0.03 -0.04 0.00 -2.20 0.00 0.00 60.37 57.70 2kg2 h HIS 90 Cb 1.23 -0.15 -0.02 0.00 1.55 0.00 0.00 27.41 30.02 2kg2 h HIS 90 CO 0.57 0.17 0.11 0.22 -1.30 0.00 0.00 177.93 177.69 2kg2 h ASP 91 N 0.53 0.66 0.18 3.26 3.58 -1.99 0.37 116.42 123.02 2kg2 h ASP 91 Ca 0.37 -0.23 -0.17 0.00 0.42 0.00 0.00 57.03 57.41 2kg2 h ASP 91 Cb 0.45 -0.17 -0.01 0.00 1.72 0.00 0.00 39.33 41.32 2kg2 h ASP 91 CO -0.31 0.72 -0.65 1.56 -2.88 0.00 0.00 179.24 177.68 2kg2 h GLN 92 N 0.57 0.44 -0.33 0.28 7.50 -1.86 -2.63 115.11 119.08 2kg2 h GLN 92 Ca 0.14 -0.32 -0.10 0.00 0.50 0.00 0.00 58.65 58.86 2kg2 h GLN 92 Cb 0.32 0.05 -0.01 0.00 0.05 0.00 0.00 27.48 27.90 2kg2 h GLN 92 CO 0.00 0.94 -0.18 0.00 -1.50 0.00 0.00 178.83 178.09 2kg2 h ALA 93 N 0.98 0.47 -0.93 3.87 0.00 -0.66 -2.83 119.26 120.15 2kg2 h ALA 93 Ca -0.01 -0.35 0.10 0.00 0.00 0.00 0.00 54.91 54.64 2kg2 h ALA 93 Cb 1.21 -0.11 -0.07 0.00 0.00 0.00 0.00 17.79 18.81 2kg2 h ALA 93 CO 0.11 0.40 0.60 0.00 0.00 0.00 0.00 179.25 180.36 2kg2 h ARG 94 N 0.48 0.90 -0.82 0.00 2.47 -0.20 0.75 114.38 117.96 2kg2 h ARG 94 Ca 0.07 -0.05 0.00 0.00 -1.26 0.00 0.00 59.98 58.74 2kg2 h ARG 94 Cb 0.73 -0.20 0.00 0.00 -1.65 0.00 0.00 29.97 28.84 2kg2 h ARG 94 CO 0.05 0.59 0.00 1.17 0.56 0.00 0.00 179.97 182.35 2kg2 n LYS 95 N -4.55 1.21 0.00 0.04 4.81 -1.00 -1.18 118.16 117.49 2kg2 n LYS 95 Ca 0.16 -0.18 0.00 0.00 -0.87 0.00 0.00 58.31 57.42 2kg2 n LYS 95 Cb 0.32 -1.46 0.00 0.00 0.02 0.00 0.00 35.03 33.91 2kg2 n LYS 95 CO 0.00 0.00 0.00 0.54 1.17 0.00 0.00 177.40 179.11 2kg2 n ARG 96 N -0.03 0.13 -0.03 1.64 1.74 -0.00 -4.71 116.66 115.39 2kg2 n ARG 96 Ca 0.02 0.00 0.04 0.00 -0.77 0.00 0.00 57.85 57.14 2kg2 n ARG 96 Cb 0.26 -0.56 -0.15 0.00 -1.02 0.00 0.00 32.46 30.99 2kg2 n ARG 96 CO 0.00 0.00 0.00 1.47 -1.52 0.00 0.00 177.63 177.58 2kg2 n LEU 97 N -1.35 0.00 -0.63 0.55 -0.00 0.05 -4.31 117.00 111.31 2kg2 n LEU 97 Ca 0.00 0.00 0.06 0.00 -0.00 0.00 0.00 56.01 56.07 2kg2 n LEU 97 Cb 0.06 0.14 0.16 0.00 -0.00 0.00 0.00 43.42 43.78 2kg2 n LEU 97 CO 0.00 0.14 0.63 1.07 -0.00 0.00 0.00 177.39 179.23 2kg2 n THR 98 N -2.33 1.25 -1.11 1.47 5.66 -0.32 -3.58 114.28 115.32 2kg2 n THR 98 Ca -0.12 -1.18 -0.30 0.00 -3.05 0.00 0.00 64.05 59.40 2kg2 n THR 98 Cb 0.69 0.35 0.23 0.00 -1.55 0.00 0.00 70.33 70.05 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 -1.37 -1.03 0.00 1.09 -2.85 -1.08 -4.91 119.74 109.60 2kg2 s LYS 99 Ca 0.25 -0.02 0.00 0.00 -1.00 0.00 0.00 55.97 55.21 2kg2 s LYS 99 Cb 0.15 -1.61 0.00 0.00 -2.06 0.00 0.00 37.83 34.31 2kg2 s LYS 99 CO 0.13 -3.59 0.50 2.89 0.10 0.00 0.00 175.35 175.38 2kg2 n ARG 100 N -4.68 -0.87 0.09 1.78 1.85 -1.25 -4.45 116.66 109.13 2kg2 n ARG 100 Ca 0.12 -0.50 -0.19 0.00 -1.00 0.00 0.00 57.85 56.28 2kg2 n ARG 100 Cb 0.59 -1.00 -0.15 0.00 -1.05 0.00 0.00 32.46 30.86 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 0.03 0.51 -3.62 2.89 0.02 -1.95 -3.41 113.55 108.02 2kg2 h SER 101 Ca 0.00 -0.65 -0.65 0.00 -0.84 0.00 0.00 61.79 59.65 2kg2 h SER 101 Cb 0.01 -0.17 -0.16 0.00 0.14 0.00 0.00 62.40 62.22 2kg2 h SER 101 CO 0.00 1.53 -0.13 -1.61 -1.14 0.00 0.00 176.83 175.48 2kg2 s GLU 102 N -2.62 3.61 -0.01 3.45 2.02 -1.26 -4.97 118.70 118.92 2kg2 s GLU 102 Ca -0.09 -0.23 -0.02 0.00 0.02 0.00 0.00 54.97 54.65 2kg2 s GLU 102 Cb 0.06 -3.80 -0.01 0.00 0.10 0.00 0.00 34.13 30.48 2kg2 s GLU 102 CO 0.88 -0.59 0.27 1.05 0.02 0.00 0.00 175.26 176.88 2kg2 h GLU 103 N 8.45 -0.06 -5.10 1.61 9.09 -1.94 -3.46 114.58 123.17 2kg2 h GLU 103 Ca -0.28 0.00 -0.65 0.00 0.05 0.00 0.00 59.36 58.48 2kg2 h GLU 103 Cb 1.13 0.01 -0.34 0.00 -1.65 0.00 0.00 28.75 27.90 2kg2 h GLU 103 CO 0.74 -0.04 -0.86 0.54 0.05 0.00 0.00 179.01 179.44 2kg2 s VAL 104 N -1.70 1.92 0.05 -1.06 0.11 -1.26 -2.09 120.40 116.37 2kg2 s VAL 104 Ca -0.01 -0.90 0.04 0.00 -2.93 0.00 0.00 61.98 58.18 2kg2 s VAL 104 Cb 0.00 -1.71 -0.02 0.00 -1.53 0.00 0.00 36.38 33.12 2kg2 s VAL 104 CO 0.03 0.52 -0.13 0.68 -3.33 0.00 0.00 175.10 172.87 2kg2 s VAL 105 N 0.82 0.99 -0.32 2.04 -7.23 -0.99 -4.99 120.40 110.71 2kg2 s VAL 105 Ca -0.08 -1.04 -0.14 0.00 -1.81 0.00 0.00 61.98 58.91 2kg2 s VAL 105 Cb -0.16 -0.93 -0.02 0.00 0.56 0.00 0.00 36.38 35.84 2kg2 s VAL 105 CO -0.01 -0.11 0.31 -0.13 -0.31 0.00 0.00 175.10 174.86 2kg2 s ARG 106 N -1.30 3.68 0.14 4.82 0.52 -1.26 -2.39 118.95 123.16 2kg2 s ARG 106 Ca -0.01 -0.38 0.08 0.00 -0.52 0.00 0.00 55.73 54.90 2kg2 s ARG 106 Cb -0.08 -3.76 -0.04 0.00 0.52 0.00 0.00 34.95 31.58 2kg2 s ARG 106 CO 0.01 -0.42 -0.07 -0.51 0.02 0.00 0.00 175.30 174.33 2kg2 s LEU 107 N 1.93 3.10 -0.10 2.53 1.43 0.51 0.55 118.68 128.62 2kg2 s LEU 107 Ca 0.10 -0.44 0.02 0.00 -1.03 0.00 0.00 54.13 52.78 2kg2 s LEU 107 Cb -0.17 -1.82 0.02 0.00 0.03 0.00 0.00 46.19 44.25 2kg2 s LEU 107 CO 0.11 0.13 -0.14 -0.76 0.23 0.00 0.00 176.35 175.93 2kg2 s LEU 108 N -2.57 1.66 0.11 1.79 1.02 0.19 0.70 118.68 121.57 2kg2 s LEU 108 Ca 0.24 -0.39 0.10 0.00 0.02 0.00 0.00 54.13 54.10 2kg2 s LEU 108 Cb -0.10 -1.01 -0.04 0.00 0.02 0.00 0.00 46.19 45.06 2kg2 s LEU 108 CO 0.15 0.01 -0.24 0.68 0.02 0.00 0.00 176.35 176.97 2kg2 s VAL 109 N 0.97 2.03 -0.08 -1.59 -7.23 -0.01 -0.26 120.40 114.23 2kg2 s VAL 109 Ca -0.07 -1.65 0.05 0.00 -1.81 0.00 0.00 61.98 58.49 2kg2 s VAL 109 Cb -0.15 -1.81 -0.01 0.00 0.56 0.00 0.00 36.38 34.97 2kg2 s VAL 109 CO -0.01 0.05 -0.23 0.42 -0.31 0.00 0.00 175.10 175.02 2kg2 s THR 110 N -1.08 2.19 -0.97 5.32 -4.23 -0.74 -0.62 115.64 115.51 2kg2 s THR 110 Ca 0.11 -1.00 -0.15 0.00 -1.18 0.00 0.00 61.69 59.47 2kg2 s THR 110 Cb -0.10 -1.82 0.18 0.00 1.34 0.00 0.00 72.50 72.10 2kg2 s THR 110 CO 0.05 0.56 1.07 -0.13 -0.54 0.00 0.00 174.62 175.64 2kg2 s ARG 111 N 0.04 3.76 -0.14 3.99 0.52 0.47 -3.59 118.95 124.00 2kg2 s ARG 111 Ca -0.09 -2.30 -0.23 0.00 -0.52 0.00 0.00 55.73 52.59 2kg2 s ARG 111 Cb -0.15 -4.76 -0.25 0.00 0.52 0.00 0.00 34.95 30.31 2kg2 s ARG 111 CO 0.06 -1.56 0.56 1.96 0.02 0.00 0.00 175.30 176.33 2kg2 h GLN 112 N 7.96 0.09 -0.27 3.54 1.08 -1.89 -3.35 115.11 122.27 2kg2 h GLN 112 Ca 0.17 -0.15 0.00 0.00 -1.45 0.00 0.00 58.65 57.22 2kg2 h GLN 112 Cb 0.98 0.06 0.00 0.00 -0.05 0.00 0.00 27.48 28.47 2kg2 h GLN 112 CO 1.01 1.07 0.00 0.43 -0.95 0.00 0.00 178.83 180.40 2kg2 n SER 113 N -4.34 2.01 -3.30 1.46 7.64 -1.26 -4.26 113.62 111.57 2kg2 n SER 113 Ca -0.21 -1.83 -0.26 0.00 1.01 0.00 0.00 58.87 57.58 2kg2 n SER 113 Cb 0.68 -0.17 -0.09 0.00 -1.01 0.00 0.00 64.21 63.62 2kg2 n SER 113 CO 0.00 0.00 0.00 0.18 -3.01 0.00 0.00 175.04 172.21 2kg2 n LEU 114 N 0.56 -0.21 -4.75 -3.43 4.77 -1.26 -5.05 117.00 107.63 2kg2 n LEU 114 Ca 0.16 -4.51 -0.37 0.00 -0.03 0.00 0.00 56.01 51.25 2kg2 n LEU 114 Cb 0.36 0.59 -0.06 0.00 -2.33 0.00 0.00 43.42 41.98 2kg2 n LEU 114 CO 0.12 1.95 0.08 0.00 -1.33 0.00 0.00 177.39 178.22 2kg2 s GLN 115 N -0.49 4.20 0.12 3.23 -2.07 -1.26 -4.78 119.66 118.61 2kg2 s GLN 115 Ca 0.34 0.30 0.00 0.00 -1.82 0.00 0.00 55.36 54.18 2kg2 s GLN 115 Cb 0.10 -3.38 0.00 0.00 -1.09 0.00 0.00 33.01 28.64 2kg2 s GLN 115 CO -0.16 0.32 0.00 1.17 -1.32 0.00 0.00 175.29 175.30 2kg2 n LYS 116 N 3.19 -0.82 -0.32 9.60 4.81 -1.26 -5.09 118.16 128.27 2kg2 n LYS 116 Ca -0.11 0.64 0.03 0.00 -0.87 0.00 0.00 58.31 58.00 2kg2 n LYS 116 Cb 0.52 -0.80 -0.02 0.00 0.02 0.00 0.00 35.03 34.75 2kg2 n LYS 116 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 2kg2 n ALA 117 N -1.77 -0.84 -2.33 3.14 0.00 -1.26 -5.03 120.51 112.43 2kg2 n ALA 117 Ca -0.00 0.20 -0.00 0.00 0.00 0.00 0.00 53.44 53.63 2kg2 n ALA 117 Cb 0.10 -0.40 0.00 0.00 0.00 0.00 0.00 19.45 19.15 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 -2.42 -5.98 -3.85 0.00 0.31 -1.26 -5.04 118.33 100.09 2kg2 n VAL 118 Ca -0.02 -0.10 -0.36 0.00 -0.01 0.00 0.00 64.34 63.85 2kg2 n VAL 118 Cb 0.15 -5.37 -0.13 0.00 -0.91 0.00 0.00 33.84 27.58 2kg2 n VAL 118 CO 0.00 0.00 0.00 -1.10 -1.32 0.00 0.00 176.83 174.41 2kg2 s GLN 119 N -2.94 2.50 -0.66 5.55 1.11 -1.26 -5.04 119.66 118.91 2kg2 s GLN 119 Ca 0.01 -1.24 -0.26 0.00 0.01 0.00 0.00 55.36 53.88 2kg2 s GLN 119 Cb -0.00 -3.29 -0.02 0.00 -1.01 0.00 0.00 33.01 28.68 2kg2 s GLN 119 CO 0.40 -0.64 1.85 -1.14 0.01 0.00 0.00 175.29 175.77 2kg2 s GLN 120 N 1.31 2.64 0.00 2.91 0.74 -1.26 -4.39 119.66 121.61 2kg2 s GLN 120 Ca -0.04 0.43 0.00 0.00 0.05 0.00 0.00 55.36 55.80 2kg2 s GLN 120 Cb -0.20 -4.49 0.00 0.00 1.10 0.00 0.00 33.01 29.42 2kg2 s GLN 120 CO 0.00 -2.81 0.00 0.43 -0.55 0.00 0.00 175.29 172.37 2kg2 n SER 121 N 12.79 0.00 -0.11 6.67 7.64 -1.26 -4.88 113.62 134.47 2kg2 n SER 121 Ca 0.23 -0.36 -0.15 0.00 1.01 0.00 0.00 58.87 59.60 2kg2 n SER 121 Cb 0.51 0.00 -0.11 0.00 -1.01 0.00 0.00 64.21 63.60 2kg2 n SER 121 CO 0.00 0.00 0.00 0.23 -3.01 0.00 0.00 175.04 172.26 2kg2 n MET 122 N 0.00 0.67 -2.40 1.43 2.81 -1.26 -4.84 117.12 113.53 2kg2 n MET 122 Ca 0.00 0.11 -0.42 0.00 -1.81 0.00 0.00 57.70 55.58 2kg2 n MET 122 Cb 0.09 -1.46 -0.02 0.00 -0.71 0.00 0.00 33.22 31.11 2kg2 n MET 122 CO 0.00 0.00 0.00 -1.17 1.51 0.00 0.00 175.97 176.31 2kg2 s LEU 123 N -6.16 3.46 0.00 4.03 2.96 -1.26 -5.29 118.68 116.42 2kg2 s LEU 123 Ca -0.27 0.41 0.00 0.00 -0.22 0.00 0.00 54.13 54.05 2kg2 s LEU 123 Cb 0.08 -3.19 0.00 0.00 0.50 0.00 0.00 46.19 43.57 2kg2 s LEU 123 CO 0.57 -1.62 0.00 -1.20 -1.32 0.00 0.00 176.35 172.78