#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2kqn s ILE 2 N 0.00 4.96 0.07 2.12 1.01 -1.26 -4.77 121.20 123.33 2kqn s ILE 2 Ca 0.00 -0.48 -0.28 0.00 0.00 0.00 0.00 60.65 59.89 2kqn s ILE 2 Cb 0.00 -3.63 -0.05 0.00 0.01 0.00 0.00 42.46 38.79 2kqn s ILE 2 CO 0.00 -0.09 0.90 -1.10 0.00 0.00 0.00 174.94 174.65 2kqn s GLN 3 N 1.65 4.61 -0.37 2.79 1.11 -1.26 -4.42 119.66 123.77 2kqn s GLN 3 Ca 0.05 1.31 -0.04 0.00 0.01 0.00 0.00 55.36 56.69 2kqn s GLN 3 Cb -0.18 -3.39 0.08 0.00 -1.01 0.00 0.00 33.01 28.52 2kqn s GLN 3 CO 0.09 0.20 0.15 -1.64 0.01 0.00 0.00 175.29 174.09 2kqn s MET 4 N 0.13 2.28 -0.36 2.91 -1.94 -1.26 0.12 119.30 121.18 2kqn s MET 4 Ca 0.45 -1.54 -0.18 0.00 -1.71 0.00 0.00 55.69 52.71 2kqn s MET 4 Cb -0.22 -3.49 -0.00 0.00 2.01 0.00 0.00 34.83 33.13 2kqn s MET 4 CO 0.27 -0.89 0.48 0.99 -0.01 0.00 0.00 175.02 175.87 2kqn s THR 5 N 1.24 5.04 -0.08 2.05 2.01 0.82 -4.01 115.64 122.71 2kqn s THR 5 Ca 0.03 0.23 0.00 0.00 0.31 0.00 0.00 61.69 62.25 2kqn s THR 5 Cb -0.22 -3.95 -0.03 0.00 0.01 0.00 0.00 72.50 68.31 2kqn s THR 5 CO -0.02 -0.22 -0.06 -1.58 -0.69 0.00 0.00 174.62 172.05 2kqn s GLN 6 N 2.32 2.86 0.03 4.92 0.74 -1.26 0.57 119.66 129.84 2kqn s GLN 6 Ca 0.17 -0.53 -0.04 0.00 0.05 0.00 0.00 55.36 55.01 2kqn s GLN 6 Cb -0.16 -2.64 -0.02 0.00 1.10 0.00 0.00 33.01 31.30 2kqn s GLN 6 CO 0.13 0.62 0.05 -1.12 -0.55 0.00 0.00 175.29 174.42 2kqn s SER 7 N -0.69 0.24 1.08 6.67 0.01 0.59 -4.23 113.70 117.37 2kqn s SER 7 Ca 0.11 -0.60 -0.16 0.00 1.31 0.00 0.00 55.95 56.61 2kqn s SER 7 Cb -0.11 0.19 0.22 0.00 0.21 0.00 0.00 66.02 66.53 2kqn s SER 7 CO 0.02 -0.47 1.07 -0.81 0.41 0.00 0.00 173.24 173.46 2kqn n PRO 8 N 0.86 -1.76 -0.04 12.44 -0.04 -1.26 -0.39 135.00 144.80 2kqn n PRO 8 Ca -0.19 -1.68 -0.03 0.00 -0.04 0.00 0.00 63.50 61.56 2kqn n PRO 8 Cb 0.58 -1.27 0.21 0.00 -0.04 0.00 0.00 33.50 32.98 2kqn n PRO 8 CO 0.00 0.00 0.00 0.66 -0.04 0.00 0.00 175.50 176.12 2kqn h SER 9 N -1.87 0.60 -4.11 3.54 4.64 -1.82 -3.34 113.55 111.18 2kqn h SER 9 Ca -0.37 -0.15 0.07 0.00 -0.47 0.00 0.00 61.79 60.87 2kqn h SER 9 Cb 1.04 -0.16 -0.23 0.00 -0.31 0.00 0.00 62.40 62.75 2kqn h SER 9 CO 0.25 0.73 0.52 -0.94 -0.87 0.00 0.00 176.83 176.51 2kqn s SER 10 N -6.72 -0.39 -0.09 4.97 1.04 -1.26 -1.66 113.70 109.59 2kqn s SER 10 Ca -0.08 0.46 -0.13 0.00 0.48 0.00 0.00 55.95 56.68 2kqn s SER 10 Cb 0.15 0.36 0.03 0.00 0.10 0.00 0.00 66.02 66.65 2kqn s SER 10 CO 0.79 -0.35 0.33 -1.48 0.98 0.00 0.00 173.24 173.51 2kqn s LEU 11 N -1.02 0.76 -0.11 2.42 2.34 -0.40 -4.90 118.68 117.77 2kqn s LEU 11 Ca -0.02 0.49 0.02 0.00 0.06 0.00 0.00 54.13 54.68 2kqn s LEU 11 Cb -0.01 1.19 -0.01 0.00 -0.56 0.00 0.00 46.19 46.81 2kqn s LEU 11 CO 0.02 -0.22 -0.19 -0.44 -1.06 0.00 0.00 176.35 174.46 2kqn s SER 12 N -0.31 3.55 0.02 1.48 0.01 -1.26 -1.44 113.70 115.75 2kqn s SER 12 Ca -0.04 -0.43 0.01 0.00 1.31 0.00 0.00 55.95 56.80 2kqn s SER 12 Cb -0.03 -1.43 -0.01 0.00 0.21 0.00 0.00 66.02 64.75 2kqn s SER 12 CO 0.02 0.18 -0.05 0.00 0.41 0.00 0.00 173.24 173.79 2kqn s ALA 13 N 0.26 0.39 0.38 1.44 0.00 0.91 -4.55 121.76 120.59 2kqn s ALA 13 Ca -0.13 -0.48 -0.00 0.00 0.00 0.00 0.00 51.96 51.34 2kqn s ALA 13 Cb -0.16 0.01 -0.03 0.00 0.00 0.00 0.00 23.12 22.93 2kqn s ALA 13 CO 0.07 -0.00 0.60 -1.54 0.00 0.00 0.00 175.76 174.88 2kqn s SER 14 N -0.94 6.26 -0.27 0.00 1.04 -1.26 -2.57 113.70 115.96 2kqn s SER 14 Ca -0.06 0.52 -0.40 0.00 0.48 0.00 0.00 55.95 56.49 2kqn s SER 14 Cb -0.06 -2.03 -0.16 0.00 0.10 0.00 0.00 66.02 63.87 2kqn s SER 14 CO -0.00 -0.37 1.74 0.52 0.98 0.00 0.00 173.24 176.11 2kqn n VAL 15 N -1.89 0.31 0.00 5.02 0.31 -1.26 -0.44 118.33 120.37 2kqn n VAL 15 Ca -0.03 -0.06 0.00 0.00 -0.01 0.00 0.00 64.34 64.24 2kqn n VAL 15 Cb 0.56 -1.23 0.00 0.00 -0.91 0.00 0.00 33.84 32.26 2kqn n VAL 15 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 2kqn n GLY 16 N 4.17 2.46 3.86 2.92 0.00 -0.40 -4.89 105.19 113.31 2kqn n GLY 16 Ca 0.26 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.97 2kqn n GLY 16 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 2kqn s ASP 17 N -1.53 6.43 -0.22 1.61 1.01 0.41 -4.55 116.67 119.84 2kqn s ASP 17 Ca 0.00 1.45 -0.09 0.00 0.71 0.00 0.00 52.55 54.62 2kqn s ASP 17 Cb 0.00 -2.47 -0.05 0.00 1.01 0.00 0.00 42.92 41.41 2kqn s ASP 17 CO 0.00 -0.70 0.12 -0.60 0.21 0.00 0.00 175.17 174.20 2kqn s ARG 18 N -4.57 4.05 0.01 8.23 3.52 -1.26 -0.81 118.95 128.13 2kqn s ARG 18 Ca 0.56 -0.29 0.03 0.00 -0.13 0.00 0.00 55.73 55.91 2kqn s ARG 18 Cb -0.10 -3.42 -0.03 0.00 -1.56 0.00 0.00 34.95 29.84 2kqn s ARG 18 CO 0.42 0.16 -0.05 0.08 -0.81 0.00 0.00 175.30 175.10 2kqn s VAL 19 N 0.74 3.76 -0.09 7.11 1.01 -0.14 -4.93 120.40 127.86 2kqn s VAL 19 Ca 0.06 -0.78 -0.01 0.00 0.00 0.00 0.00 61.98 61.26 2kqn s VAL 19 Cb -0.13 -2.66 0.03 0.00 0.00 0.00 0.00 36.38 33.62 2kqn s VAL 19 CO 0.02 0.36 -0.05 -0.89 0.00 0.00 0.00 175.10 174.54 2kqn s THR 20 N -1.05 0.77 -0.05 3.92 2.01 -1.25 -1.19 115.64 118.79 2kqn s THR 20 Ca 0.18 -0.13 0.06 0.00 0.31 0.00 0.00 61.69 62.11 2kqn s THR 20 Cb -0.11 -0.84 -0.01 0.00 0.01 0.00 0.00 72.50 71.55 2kqn s THR 20 CO 0.09 0.32 -0.24 -0.63 -0.69 0.00 0.00 174.62 173.47 2kqn s ILE 21 N 1.75 1.96 -0.06 1.82 1.01 0.10 -4.70 121.20 123.08 2kqn s ILE 21 Ca 0.04 -1.01 0.03 0.00 0.00 0.00 0.00 60.65 59.70 2kqn s ILE 21 Cb -0.13 -1.66 -0.02 0.00 0.01 0.00 0.00 42.46 40.66 2kqn s ILE 21 CO -0.07 0.55 -0.13 0.42 0.00 0.00 0.00 174.94 175.71 2kqn s THR 22 N -0.16 3.12 -0.09 2.92 -4.23 0.48 0.48 115.64 118.17 2kqn s THR 22 Ca -0.03 -0.69 0.04 0.00 -1.18 0.00 0.00 61.69 59.83 2kqn s THR 22 Cb -0.13 -2.24 -0.01 0.00 1.34 0.00 0.00 72.50 71.46 2kqn s THR 22 CO 0.03 0.58 -0.21 0.00 -0.54 0.00 0.00 174.62 174.48 2kqn s GLN 24 N 0.09 2.33 0.13 0.00 -0.21 0.19 -1.04 119.66 121.15 2kqn s GLN 24 Ca -0.10 -0.59 -0.17 0.00 0.02 0.00 0.00 55.36 54.53 2kqn s GLN 24 Cb -0.16 -2.05 -0.07 0.00 1.00 0.00 0.00 33.01 31.74 2kqn s GLN 24 CO 0.06 -0.14 0.58 0.00 -2.12 0.00 0.00 175.29 173.67 2kqn s ALA 25 N 1.22 3.56 -0.12 6.09 0.00 0.76 -0.13 121.76 133.13 2kqn s ALA 25 Ca -0.01 -0.03 0.18 0.00 0.00 0.00 0.00 51.96 52.10 2kqn s ALA 25 Cb -0.14 -2.61 0.29 0.00 0.00 0.00 0.00 23.12 20.66 2kqn s ALA 25 CO -0.06 0.42 1.55 1.03 0.00 0.00 0.00 175.76 178.69 2kqn h SER 26 N 3.88 0.00 -4.37 0.00 0.87 -0.65 -3.45 113.55 109.83 2kqn h SER 26 Ca -0.49 0.00 -0.27 0.00 -1.23 0.00 0.00 61.79 59.80 2kqn h SER 26 Cb 1.20 0.00 -0.25 0.00 -0.44 0.00 0.00 62.40 62.92 2kqn h SER 26 CO 0.65 0.38 -0.73 -1.58 -0.53 0.00 0.00 176.83 175.02 2kqn s GLN 27 N -3.15 0.40 0.20 2.24 0.74 -1.26 -4.91 119.66 113.92 2kqn s GLN 27 Ca 0.04 -0.45 -0.30 0.00 0.05 0.00 0.00 55.36 54.70 2kqn s GLN 27 Cb 0.08 -0.25 -0.08 0.00 1.10 0.00 0.00 33.01 33.86 2kqn s GLN 27 CO 0.71 0.05 1.25 0.34 -0.55 0.00 0.00 175.29 177.09 2kqn s ASP 28 N -0.86 7.00 -0.09 6.67 -1.08 -1.26 -4.79 116.67 122.25 2kqn s ASP 28 Ca -0.05 2.33 0.13 0.00 -0.52 0.00 0.00 52.55 54.43 2kqn s ASP 28 Cb -0.06 -2.61 0.20 0.00 -1.46 0.00 0.00 42.92 38.99 2kqn s ASP 28 CO -0.00 -0.44 1.09 2.30 0.52 0.00 0.00 175.17 178.64 2kqn n ILE 29 N 2.46 1.52 0.00 4.11 -5.35 -1.21 -5.02 119.36 115.86 2kqn n ILE 29 Ca 0.05 -1.78 0.00 0.00 -0.27 0.00 0.00 62.75 60.75 2kqn n ILE 29 Cb 0.44 0.01 0.00 0.00 -1.74 0.00 0.00 39.64 38.34 2kqn n ILE 29 CO 0.00 0.00 0.00 -3.20 -1.76 0.00 0.00 176.55 171.59 2kqn n ASN 30 N -1.10 0.00 0.00 7.28 5.15 -1.26 -1.54 115.26 123.80 2kqn n ASN 30 Ca 0.11 0.00 0.00 0.00 -0.60 0.00 0.00 54.58 54.09 2kqn n ASN 30 Cb 0.55 0.00 0.00 0.00 -0.53 0.00 0.00 39.78 39.80 2kqn n ASN 30 CO 0.00 0.00 0.00 -3.20 1.40 0.00 0.00 177.26 175.46 2kqn n ASN 31 N 2.94 0.00 -4.58 1.20 5.15 -1.26 -0.04 115.26 118.67 2kqn n ASN 31 Ca 0.00 -1.00 -0.38 0.00 -0.60 0.00 0.00 54.58 52.60 2kqn n ASN 31 Cb 0.00 0.00 -0.02 0.00 -0.53 0.00 0.00 39.78 39.23 2kqn n ASN 31 CO 0.00 0.00 0.00 -0.31 1.40 0.00 0.00 177.26 178.35 2kqn s TYR 32 N 0.00 2.46 0.03 1.20 2.02 -0.59 -3.51 117.35 118.97 2kqn s TYR 32 Ca 0.00 -0.82 0.05 0.00 -0.37 0.00 0.00 57.07 55.92 2kqn s TYR 32 Cb 0.00 -4.49 -0.02 0.00 -0.40 0.00 0.00 41.96 37.05 2kqn s TYR 32 CO 0.00 -1.63 -0.14 -1.17 -1.57 0.00 0.00 175.55 171.04 2kqn s LEU 33 N 6.61 2.15 -0.00 -1.29 2.96 -1.26 -3.50 118.68 124.35 2kqn s LEU 33 Ca 0.58 -0.42 0.04 0.00 -0.22 0.00 0.00 54.13 54.12 2kqn s LEU 33 Cb 0.02 -0.60 -0.01 0.00 0.50 0.00 0.00 46.19 46.09 2kqn s LEU 33 CO 0.08 0.05 -0.14 -0.63 -1.32 0.00 0.00 176.35 174.38 2kqn s ILE 34 N -0.76 1.13 -0.11 6.68 1.01 0.13 -0.41 121.20 128.86 2kqn s ILE 34 Ca 0.02 -0.66 0.01 0.00 0.00 0.00 0.00 60.65 60.02 2kqn s ILE 34 Cb -0.07 -0.95 -0.02 0.00 0.01 0.00 0.00 42.46 41.43 2kqn s ILE 34 CO 0.01 0.28 -0.14 0.26 0.00 0.00 0.00 174.94 175.35 2kqn s TRP 35 N -0.40 2.77 0.20 3.97 0.52 0.13 0.09 118.94 126.22 2kqn s TRP 35 Ca 0.05 -0.58 0.09 0.00 0.02 0.00 0.00 56.10 55.68 2kqn s TRP 35 Cb -0.06 -1.79 -0.04 0.00 -1.15 0.00 0.00 33.47 30.42 2kqn s TRP 35 CO -0.00 -0.15 -0.17 0.71 0.02 0.00 0.00 176.95 177.35 2kqn s TYR 36 N 0.15 1.85 -0.13 -1.98 2.02 -0.59 -0.11 117.35 118.56 2kqn s TYR 36 Ca -0.07 -0.49 0.02 0.00 -0.37 0.00 0.00 57.07 56.15 2kqn s TYR 36 Cb -0.15 -0.88 0.02 0.00 -0.40 0.00 0.00 41.96 40.55 2kqn s TYR 36 CO 0.05 0.40 -0.17 1.14 -1.57 0.00 0.00 175.55 175.40 2kqn s GLN 37 N -3.23 2.52 -0.38 -0.62 -2.07 -0.22 -2.19 119.66 113.48 2kqn s GLN 37 Ca 0.20 -0.66 -0.13 0.00 -1.82 0.00 0.00 55.36 52.95 2kqn s GLN 37 Cb -0.04 -2.14 0.01 0.00 -1.09 0.00 0.00 33.01 29.75 2kqn s GLN 37 CO 0.08 -0.10 0.25 -1.14 -1.32 0.00 0.00 175.29 173.06 2kqn s GLN 38 N 1.07 3.09 -0.32 9.60 2.00 0.75 -1.28 119.66 134.57 2kqn s GLN 38 Ca -0.03 -0.92 -0.13 0.00 -2.00 0.00 0.00 55.36 52.28 2kqn s GLN 38 Cb -0.14 -3.84 -0.03 0.00 0.80 0.00 0.00 33.01 29.80 2kqn s GLN 38 CO -0.05 -0.63 0.24 0.15 -0.50 0.00 0.00 175.29 174.50 2kqn s LYS 39 N 1.65 3.62 -0.08 1.67 1.02 -1.26 -2.28 119.74 124.07 2kqn s LYS 39 Ca 0.04 -0.54 -0.34 0.00 0.02 0.00 0.00 55.97 55.16 2kqn s LYS 39 Cb -0.18 -3.77 -0.11 0.00 -0.52 0.00 0.00 37.83 33.24 2kqn s LYS 39 CO 0.09 -0.38 1.91 -2.30 -0.92 0.00 0.00 175.35 173.74 2kqn n PRO 40 N 5.12 2.23 0.00 -1.68 -0.02 -1.26 -2.19 135.00 137.21 2kqn n PRO 40 Ca -0.13 0.81 0.00 0.00 -2.02 0.00 0.00 63.50 62.17 2kqn n PRO 40 Cb 0.50 -2.69 0.00 0.00 -0.02 0.00 0.00 33.50 31.29 2kqn n PRO 40 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2kqn n GLY 41 N 4.50 1.71 3.35 -1.23 0.00 -1.26 -5.09 105.19 107.17 2kqn n GLY 41 Ca 0.23 0.00 -0.18 0.00 0.00 0.00 0.00 46.02 46.07 2kqn n GLY 41 CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 2kqn s GLN 42 N 0.00 1.41 0.47 1.61 -2.07 -0.93 -5.14 119.66 115.02 2kqn s GLN 42 Ca 0.00 -1.74 -0.22 0.00 -1.82 0.00 0.00 55.36 51.58 2kqn s GLN 42 Cb 0.00 -0.61 -0.07 0.00 -1.09 0.00 0.00 33.01 31.23 2kqn s GLN 42 CO 0.00 -0.15 1.14 0.00 -1.32 0.00 0.00 175.29 174.96 2kqn s ALA 43 N -3.45 2.91 0.64 2.60 0.00 -1.26 -4.62 121.76 118.59 2kqn s ALA 43 Ca 0.32 0.87 -0.18 0.00 0.00 0.00 0.00 51.96 52.97 2kqn s ALA 43 Cb 0.07 -3.36 -0.01 0.00 0.00 0.00 0.00 23.12 19.81 2kqn s ALA 43 CO 0.11 -0.62 1.25 -1.25 0.00 0.00 0.00 175.76 175.24 2kqn s PRO 44 N -2.84 2.65 -0.14 0.00 0.04 -1.26 -4.75 135.00 128.70 2kqn s PRO 44 Ca 0.65 1.92 -0.02 0.00 0.04 0.00 0.00 61.00 63.59 2kqn s PRO 44 Cb -0.26 -1.88 -0.02 0.00 0.04 0.00 0.00 34.50 32.38 2kqn s PRO 44 CO 0.31 -1.48 -0.06 0.21 0.04 0.00 0.00 177.00 176.02 2kqn s LYS 45 N -3.45 3.48 -0.05 4.56 2.20 -0.41 -4.91 119.74 121.17 2kqn s LYS 45 Ca 0.79 -0.56 -0.30 0.00 -0.36 0.00 0.00 55.97 55.54 2kqn s LYS 45 Cb -0.33 -2.81 -0.05 0.00 -1.51 0.00 0.00 37.83 33.14 2kqn s LYS 45 CO 0.38 0.30 1.42 -1.17 -0.36 0.00 0.00 175.35 175.92 2kqn s LEU 46 N 0.19 4.29 -0.17 5.43 0.20 -1.26 -1.05 118.68 126.31 2kqn s LEU 46 Ca -0.03 2.05 -0.06 0.00 0.69 0.00 0.00 54.13 56.77 2kqn s LEU 46 Cb -0.14 -3.55 -0.08 0.00 -0.43 0.00 0.00 46.19 41.99 2kqn s LEU 46 CO 0.03 -0.76 -0.20 -0.11 -0.29 0.00 0.00 176.35 175.02 2kqn n LEU 47 N 5.97 1.73 -4.04 -0.68 7.94 0.85 -4.89 117.00 123.88 2kqn n LEU 47 Ca 0.14 0.12 -0.16 0.00 -1.11 0.00 0.00 56.01 55.00 2kqn n LEU 47 Cb 0.44 -0.52 -0.13 0.00 0.53 0.00 0.00 43.42 43.74 2kqn n LEU 47 CO 0.59 0.48 -0.42 -0.63 -1.11 0.00 0.00 177.39 176.30 2kqn s ILE 48 N -2.31 0.61 0.04 1.96 1.01 -0.99 -2.68 121.20 118.83 2kqn s ILE 48 Ca -0.23 -0.69 -0.02 0.00 0.00 0.00 0.00 60.65 59.71 2kqn s ILE 48 Cb 0.08 -0.59 -0.03 0.00 0.01 0.00 0.00 42.46 41.94 2kqn s ILE 48 CO 0.32 -0.08 0.00 -0.72 0.00 0.00 0.00 174.94 174.46 2kqn s TYR 49 N -0.72 0.37 -1.90 3.97 1.13 0.08 0.20 117.35 120.46 2kqn s TYR 49 Ca -0.02 -0.78 0.00 0.00 -1.41 0.00 0.00 57.07 54.86 2kqn s TYR 49 Cb -0.06 -0.27 0.00 0.00 -1.10 0.00 0.00 41.96 40.53 2kqn s TYR 49 CO 0.00 -0.32 0.00 -3.47 -2.51 0.00 0.00 175.55 169.25 2kqn n ASP 50 N 0.69 -5.22 0.00 -0.18 2.03 0.46 -1.66 116.55 112.66 2kqn n ASP 50 Ca -0.18 0.40 0.00 0.00 0.52 0.00 0.00 54.79 55.53 2kqn n ASP 50 Cb 0.59 -4.33 0.00 0.00 -0.72 0.00 0.00 41.12 36.65 2kqn n ASP 50 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 2kqn n ALA 51 N 0.97 0.00 0.45 -1.67 0.00 -0.75 -4.04 120.51 115.46 2kqn n ALA 51 Ca -0.19 0.00 0.10 0.00 0.00 0.00 0.00 53.44 53.35 2kqn n ALA 51 Cb 0.61 0.00 0.14 0.00 0.00 0.00 0.00 19.45 20.20 2kqn n ALA 51 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.50 177.93 2kqn n SER 52 N 0.90 2.97 -4.38 0.00 7.64 -1.25 -2.95 113.62 116.55 2kqn n SER 52 Ca 0.00 -1.88 -0.38 0.00 1.01 0.00 0.00 58.87 57.62 2kqn n SER 52 Cb 0.00 -0.13 -0.12 0.00 -1.01 0.00 0.00 64.21 62.95 2kqn n SER 52 CO 0.00 0.00 0.00 -0.89 -3.01 0.00 0.00 175.04 171.14 2kqn s THR 53 N -1.43 4.27 0.09 0.44 2.01 -0.66 -4.99 115.64 115.36 2kqn s THR 53 Ca 0.29 -0.65 -0.28 0.00 0.31 0.00 0.00 61.69 61.35 2kqn s THR 53 Cb 0.18 -3.24 -0.06 0.00 0.01 0.00 0.00 72.50 69.40 2kqn s THR 53 CO 0.26 0.01 0.89 -0.76 -0.69 0.00 0.00 174.62 174.33 2kqn s LEU 54 N 1.54 4.48 0.54 4.42 1.43 -1.26 -0.74 118.68 129.09 2kqn s LEU 54 Ca 0.03 1.68 -0.19 0.00 -1.03 0.00 0.00 54.13 54.62 2kqn s LEU 54 Cb -0.18 -3.46 -0.06 0.00 0.03 0.00 0.00 46.19 42.52 2kqn s LEU 54 CO 0.04 -0.03 1.08 -0.70 0.23 0.00 0.00 176.35 176.97 2kqn s GLU 55 N -0.04 3.48 -0.16 1.70 2.56 -1.09 -4.91 118.70 120.24 2kqn s GLU 55 Ca 0.44 1.45 -0.36 0.00 0.00 0.00 0.00 54.97 56.49 2kqn s GLU 55 Cb -0.22 -2.04 -0.13 0.00 2.00 0.00 0.00 34.13 33.74 2kqn s GLU 55 CO 0.27 -0.71 1.84 2.41 -0.56 0.00 0.00 175.26 178.51 2kqn n THR 56 N -1.35 0.49 0.00 -1.70 -1.04 -1.26 -0.75 114.28 108.67 2kqn n THR 56 Ca 0.10 -0.09 0.00 0.00 -2.04 0.00 0.00 64.05 62.03 2kqn n THR 56 Cb 0.52 -1.64 0.00 0.00 -1.82 0.00 0.00 70.33 67.39 2kqn n THR 56 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 2kqn n GLY 57 N 4.35 0.18 3.66 3.41 0.00 -1.26 -5.06 105.19 110.47 2kqn n GLY 57 Ca 0.24 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.84 2kqn n GLY 57 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2kqn s VAL 58 N -2.00 4.83 0.28 1.61 1.01 0.07 -5.01 120.40 121.20 2kqn s VAL 58 Ca 0.00 1.71 -0.30 0.00 0.00 0.00 0.00 61.98 63.39 2kqn s VAL 58 Cb 0.00 -4.17 -0.13 0.00 0.00 0.00 0.00 36.38 32.08 2kqn s VAL 58 CO 0.00 -0.03 1.40 -2.65 0.00 0.00 0.00 175.10 173.82 2kqn n PRO 59 N 5.54 2.16 0.00 2.72 -0.02 -1.26 -4.85 135.00 139.29 2kqn n PRO 59 Ca 0.06 0.77 0.03 0.00 -2.02 0.00 0.00 63.50 62.34 2kqn n PRO 59 Cb 0.48 -2.42 0.15 0.00 -0.02 0.00 0.00 33.50 31.69 2kqn n PRO 59 CO 0.00 0.00 0.00 0.43 1.98 0.00 0.00 175.50 177.91 2kqn n SER 60 N 1.74 0.00 0.21 2.55 7.64 -1.26 -2.06 113.62 122.44 2kqn n SER 60 Ca 0.09 0.29 0.06 0.00 1.01 0.00 0.00 58.87 60.33 2kqn n SER 60 Cb 0.34 -0.35 0.47 0.00 -1.01 0.00 0.00 64.21 63.65 2kqn n SER 60 CO 0.00 0.00 0.00 0.03 -3.01 0.00 0.00 175.04 172.06 2kqn h ARG 61 N 0.00 0.00 -7.11 1.43 3.08 -1.94 -3.44 114.38 106.40 2kqn h ARG 61 Ca 0.00 0.00 -0.45 0.00 0.07 0.00 0.00 59.98 59.60 2kqn h ARG 61 Cb 0.07 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.12 2kqn h ARG 61 CO 0.00 0.28 0.35 -0.06 -1.07 0.00 0.00 179.97 179.48 2kqn s PHE 62 N -4.08 3.36 -0.26 3.04 0.08 -0.87 -1.53 117.98 117.73 2kqn s PHE 62 Ca -0.02 1.55 -0.24 0.00 0.12 0.00 0.00 56.93 58.34 2kqn s PHE 62 Cb 0.13 -2.82 0.07 0.00 -0.57 0.00 0.00 43.02 39.83 2kqn s PHE 62 CO 0.67 -0.21 0.69 -1.54 -0.10 0.00 0.00 175.22 174.74 2kqn s SER 63 N -2.52 -0.72 -0.35 1.36 1.04 -0.35 -4.98 113.70 107.17 2kqn s SER 63 Ca 0.61 1.38 0.14 0.00 0.48 0.00 0.00 55.95 58.56 2kqn s SER 63 Cb -0.09 1.40 0.43 0.00 0.10 0.00 0.00 66.02 67.85 2kqn s SER 63 CO 0.20 -0.25 1.14 0.61 0.98 0.00 0.00 173.24 175.91 2kqn n GLY 64 N 2.66 1.45 3.93 7.32 0.00 -1.22 0.25 105.19 119.57 2kqn n GLY 64 Ca -0.14 -0.78 -0.25 0.00 0.00 0.00 0.00 46.02 44.85 2kqn n GLY 64 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2kqn s SER 65 N -2.30 5.69 0.00 1.61 0.15 -1.02 -4.43 113.70 113.39 2kqn s SER 65 Ca 0.25 0.59 0.00 0.00 0.70 0.00 0.00 55.95 57.49 2kqn s SER 65 Cb 0.43 -1.67 0.00 0.00 -1.71 0.00 0.00 66.02 63.07 2kqn s SER 65 CO -0.02 -0.94 0.00 0.61 1.20 0.00 0.00 173.24 174.09 2kqn n GLY 66 N -2.42 -0.45 3.64 9.45 0.00 -1.26 0.17 105.19 114.32 2kqn n GLY 66 Ca 0.03 -1.07 -0.06 0.00 0.00 0.00 0.00 46.02 44.92 2kqn n GLY 66 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2kqn s SER 67 N -4.00 -0.93 0.00 1.61 1.04 -0.99 -4.92 113.70 105.52 2kqn s SER 67 Ca 0.00 1.45 0.00 0.00 0.48 0.00 0.00 55.95 57.88 2kqn s SER 67 Cb 0.00 1.50 0.00 0.00 0.10 0.00 0.00 66.02 67.62 2kqn s SER 67 CO 0.00 -0.22 0.00 0.61 0.98 0.00 0.00 173.24 174.61 2kqn n GLY 68 N 4.42 0.41 0.12 7.32 0.00 0.94 -3.07 105.19 115.33 2kqn n GLY 68 Ca -0.19 0.51 -0.23 0.00 0.00 0.00 0.00 46.02 46.12 2kqn n GLY 68 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 2kqn n THR 69 N 0.00 1.52 -3.95 2.61 -2.24 -1.26 -3.33 114.28 107.62 2kqn n THR 69 Ca 0.00 -0.19 -0.35 0.00 -2.27 0.00 0.00 64.05 61.23 2kqn n THR 69 Cb 0.00 -2.04 -0.13 0.00 -2.10 0.00 0.00 70.33 66.06 2kqn n THR 69 CO 0.00 0.00 0.00 -1.61 -0.57 0.00 0.00 175.07 172.89 2kqn s GLU 70 N -2.59 3.47 0.05 -0.78 2.02 -1.17 -0.17 118.70 119.52 2kqn s GLU 70 Ca -0.34 -0.58 0.09 0.00 0.02 0.00 0.00 54.97 54.15 2kqn s GLU 70 Cb 0.11 -3.06 -0.03 0.00 0.10 0.00 0.00 34.13 31.25 2kqn s GLU 70 CO 0.47 -0.14 -0.26 -0.06 0.02 0.00 0.00 175.26 175.30 2kqn s PHE 71 N 1.36 2.24 -0.19 1.61 0.40 -0.21 -2.34 117.98 120.85 2kqn s PHE 71 Ca 0.04 -0.41 0.01 0.00 -0.60 0.00 0.00 56.93 55.98 2kqn s PHE 71 Cb -0.14 -1.33 0.02 0.00 0.51 0.00 0.00 43.02 42.08 2kqn s PHE 71 CO -0.01 0.13 -0.18 0.99 0.70 0.00 0.00 175.22 176.85 2kqn s THR 72 N -0.82 2.12 -0.25 0.64 2.01 0.13 -1.17 115.64 118.29 2kqn s THR 72 Ca 0.11 -1.02 -0.13 0.00 0.31 0.00 0.00 61.69 60.96 2kqn s THR 72 Cb -0.10 -1.94 -0.04 0.00 0.01 0.00 0.00 72.50 70.43 2kqn s THR 72 CO 0.02 0.46 0.29 0.12 -0.69 0.00 0.00 174.62 174.82 2kqn s PHE 73 N 1.27 3.29 -0.04 4.92 5.36 0.18 -2.44 117.98 130.52 2kqn s PHE 73 Ca 0.03 0.35 0.03 0.00 -0.96 0.00 0.00 56.93 56.38 2kqn s PHE 73 Cb -0.14 -2.44 0.01 0.00 -0.34 0.00 0.00 43.02 40.10 2kqn s PHE 73 CO -0.12 -0.09 -0.11 0.99 -1.46 0.00 0.00 175.22 174.44 2kqn s THR 74 N 1.57 0.94 -0.25 0.12 2.01 0.14 0.03 115.64 120.20 2kqn s THR 74 Ca 0.12 -0.42 -0.05 0.00 0.31 0.00 0.00 61.69 61.65 2kqn s THR 74 Cb -0.15 -0.84 -0.01 0.00 0.01 0.00 0.00 72.50 71.52 2kqn s THR 74 CO 0.08 0.29 0.01 -0.63 -0.69 0.00 0.00 174.62 173.68 2kqn s ILE 75 N 0.30 3.67 0.18 1.82 1.01 -0.34 -1.21 121.20 126.62 2kqn s ILE 75 Ca -0.06 -0.51 -0.10 0.00 0.00 0.00 0.00 60.65 59.98 2kqn s ILE 75 Cb -0.11 -2.75 0.07 0.00 0.01 0.00 0.00 42.46 39.69 2kqn s ILE 75 CO 0.01 0.31 1.67 0.77 0.00 0.00 0.00 174.94 177.71 2kqn h SER 76 N 8.16 0.96 -2.18 3.58 4.64 -1.57 -0.35 113.55 126.79 2kqn h SER 76 Ca -0.38 -0.25 -0.26 0.00 -0.47 0.00 0.00 61.79 60.43 2kqn h SER 76 Cb 1.15 -0.25 -0.33 0.00 -0.31 0.00 0.00 62.40 62.66 2kqn h SER 76 CO 0.60 0.97 -0.58 -0.44 -0.87 0.00 0.00 176.83 176.50 2kqn s SER 77 N -6.37 1.06 0.22 4.97 0.01 -1.25 -3.99 113.70 108.35 2kqn s SER 77 Ca -0.12 -0.25 -0.32 0.00 1.31 0.00 0.00 55.95 56.57 2kqn s SER 77 Cb 0.13 0.68 -0.13 0.00 0.21 0.00 0.00 66.02 66.91 2kqn s SER 77 CO 0.83 -0.34 1.54 -0.11 0.41 0.00 0.00 173.24 175.57 2kqn n LEU 78 N 5.33 3.48 -4.37 2.44 -0.00 0.01 -4.65 117.00 119.24 2kqn n LEU 78 Ca -0.04 1.12 -0.24 0.00 -0.00 0.00 0.00 56.01 56.85 2kqn n LEU 78 Cb 0.49 -1.48 -0.11 0.00 -0.00 0.00 0.00 43.42 42.31 2kqn n LEU 78 CO 0.05 -0.21 -0.50 -1.10 -0.00 0.00 0.00 177.39 175.63 2kqn s GLN 79 N 0.15 1.37 0.36 1.96 -1.52 -1.26 -1.28 119.66 119.44 2kqn s GLN 79 Ca 0.71 -1.46 0.16 0.00 -1.95 0.00 0.00 55.36 52.82 2kqn s GLN 79 Cb -0.61 -1.52 1.11 0.00 -0.22 0.00 0.00 33.01 31.77 2kqn s GLN 79 CO 0.44 0.31 1.68 -1.35 -0.25 0.00 0.00 175.29 176.13 2kqn h PRO 80 N 3.18 0.33 0.00 2.91 0.11 -1.98 0.10 132.00 136.66 2kqn h PRO 80 Ca -0.43 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.66 2kqn h PRO 80 Cb 1.21 -0.07 0.00 0.00 0.11 0.00 0.00 31.00 32.24 2kqn h PRO 80 CO 0.50 0.22 0.00 0.39 -0.21 0.00 0.00 178.00 178.90 2kqn n GLU 81 N -4.92 0.16 0.14 1.05 -0.58 -1.26 -2.21 120.64 113.03 2kqn n GLU 81 Ca 0.31 0.37 0.12 0.00 -0.42 0.00 0.00 57.16 57.55 2kqn n GLU 81 Cb 0.99 -1.79 0.22 0.00 -0.57 0.00 0.00 31.44 30.28 2kqn n GLU 81 CO 0.00 0.00 0.00 -0.44 -0.48 0.00 0.00 177.13 176.21 2kqn h ASP 82 N 0.00 0.00 -2.93 1.62 5.19 -1.20 -3.43 116.42 115.67 2kqn h ASP 82 Ca 0.00 -0.03 -0.56 0.00 -0.62 0.00 0.00 57.03 55.81 2kqn h ASP 82 Cb 0.36 0.00 -0.04 0.00 0.18 0.00 0.00 39.33 39.84 2kqn h ASP 82 CO 0.00 0.02 0.87 -0.22 -3.12 0.00 0.00 179.24 176.79 2kqn s LEU 83 N -5.27 4.21 -0.06 1.55 0.20 -0.94 -4.90 118.68 113.48 2kqn s LEU 83 Ca 0.07 1.75 -0.30 0.00 0.69 0.00 0.00 54.13 56.34 2kqn s LEU 83 Cb 0.09 -3.54 0.10 0.00 -0.43 0.00 0.00 46.19 42.41 2kqn s LEU 83 CO 0.67 -0.74 1.33 0.00 -0.29 0.00 0.00 176.35 177.33 2kqn s ALA 84 N 3.27 -2.64 -0.27 5.97 0.00 -1.23 -4.99 121.76 121.87 2kqn s ALA 84 Ca 0.56 0.11 -0.12 0.00 0.00 0.00 0.00 51.96 52.50 2kqn s ALA 84 Cb -0.23 0.93 -0.05 0.00 0.00 0.00 0.00 23.12 23.77 2kqn s ALA 84 CO 0.17 -1.17 0.25 0.99 0.00 0.00 0.00 175.76 176.00 2kqn s THR 85 N -2.01 5.27 -0.03 0.00 2.01 -0.97 -1.71 115.64 118.20 2kqn s THR 85 Ca 0.31 0.32 -0.07 0.00 0.31 0.00 0.00 61.69 62.56 2kqn s THR 85 Cb -0.00 -3.59 -0.05 0.00 0.01 0.00 0.00 72.50 68.88 2kqn s THR 85 CO -0.02 0.24 0.24 -0.31 -0.69 0.00 0.00 174.62 174.08 2kqn s TYR 86 N 1.70 3.60 0.12 4.92 2.02 -1.16 -0.18 117.35 128.37 2kqn s TYR 86 Ca 0.10 0.59 -0.01 0.00 -0.37 0.00 0.00 57.07 57.37 2kqn s TYR 86 Cb -0.15 -1.99 -0.04 0.00 -0.40 0.00 0.00 41.96 39.37 2kqn s TYR 86 CO 0.09 0.65 0.05 0.71 -1.57 0.00 0.00 175.55 175.48 2kqn s TYR 87 N -1.21 0.77 -0.03 2.71 2.02 -0.93 -4.10 117.35 116.58 2kqn s TYR 87 Ca 0.24 -1.18 0.04 0.00 -0.37 0.00 0.00 57.07 55.80 2kqn s TYR 87 Cb -0.13 -0.44 -0.00 0.00 -0.40 0.00 0.00 41.96 40.98 2kqn s TYR 87 CO 0.13 -0.50 -0.13 0.00 -1.57 0.00 0.00 175.55 173.48 2kqn s GLN 89 N -0.03 2.30 -0.28 0.00 0.74 0.11 0.03 119.66 122.54 2kqn s GLN 89 Ca -0.01 -0.90 -0.06 0.00 0.05 0.00 0.00 55.36 54.44 2kqn s GLN 89 Cb -0.09 -2.07 0.00 0.00 1.10 0.00 0.00 33.01 31.95 2kqn s GLN 89 CO 0.01 0.46 0.06 1.14 -0.55 0.00 0.00 175.29 176.41 2kqn s GLN 90 N -0.37 3.23 -0.35 1.67 1.03 -1.24 0.17 119.66 123.79 2kqn s GLN 90 Ca 0.03 -0.76 0.05 0.00 0.04 0.00 0.00 55.36 54.72 2kqn s GLN 90 Cb -0.12 -3.30 0.61 0.00 0.03 0.00 0.00 33.01 30.23 2kqn s GLN 90 CO 0.01 -0.36 1.75 2.48 -2.54 0.00 0.00 175.29 176.64 2kqn n TYR 91 N 4.86 2.49 -0.01 9.60 4.11 -1.23 -4.46 117.16 132.53 2kqn n TYR 91 Ca -0.15 -1.45 -0.19 0.00 -0.00 0.00 0.00 57.90 56.10 2kqn n TYR 91 Cb 0.49 -0.77 -0.14 0.00 -0.00 0.00 0.00 39.34 38.92 2kqn n TYR 91 CO 0.00 0.00 0.00 0.22 -0.00 0.00 0.00 176.86 177.08 2kqn h ASP 92 N 1.40 0.28 -3.82 9.48 3.58 -1.89 -3.48 116.42 121.98 2kqn h ASP 92 Ca 0.44 -0.88 -0.16 0.00 0.42 0.00 0.00 57.03 56.85 2kqn h ASP 92 Cb 2.46 -0.09 -0.26 0.00 1.72 0.00 0.00 39.33 43.16 2kqn h ASP 92 CO 0.85 1.40 -0.41 0.21 -2.88 0.00 0.00 179.24 178.41 2kqn s ASN 93 N -6.82 -0.27 0.33 2.28 3.84 -1.26 -5.14 114.94 107.90 2kqn s ASN 93 Ca -0.19 0.53 -0.24 0.00 0.21 0.00 0.00 52.86 53.17 2kqn s ASN 93 Cb 0.02 0.53 -0.10 0.00 -0.55 0.00 0.00 41.25 41.15 2kqn s ASN 93 CO 0.75 -0.09 0.92 -0.76 -2.79 0.00 0.00 177.10 175.13 2kqn s LEU 94 N 0.15 4.25 0.55 3.21 1.43 -1.26 -3.99 118.68 123.02 2kqn s LEU 94 Ca -0.00 1.75 -0.16 0.00 -1.03 0.00 0.00 54.13 54.69 2kqn s LEU 94 Cb -0.02 -4.08 -0.06 0.00 0.03 0.00 0.00 46.19 42.06 2kqn s LEU 94 CO 0.00 -0.12 1.02 -2.16 0.23 0.00 0.00 176.35 175.32 2kqn s PRO 95 N -2.29 3.69 -0.05 1.29 0.04 -1.26 -4.30 135.00 132.12 2kqn s PRO 95 Ca 0.52 1.06 -0.17 0.00 0.04 0.00 0.00 61.00 62.44 2kqn s PRO 95 Cb -0.16 -2.09 -0.05 0.00 0.04 0.00 0.00 34.50 32.23 2kqn s PRO 95 CO 0.21 -0.49 0.47 0.71 0.04 0.00 0.00 177.00 177.94 2kqn s TYR 96 N -2.56 3.63 0.17 0.56 2.02 -1.26 -4.09 117.35 115.83 2kqn s TYR 96 Ca 0.61 0.99 0.08 0.00 -0.37 0.00 0.00 57.07 58.37 2kqn s TYR 96 Cb -0.12 -2.47 -0.04 0.00 -0.40 0.00 0.00 41.96 38.93 2kqn s TYR 96 CO 0.34 0.38 -0.17 0.95 -1.57 0.00 0.00 175.55 175.48 2kqn s THR 97 N -0.17 1.72 -0.09 -0.71 -4.23 -1.26 -5.00 115.64 105.89 2kqn s THR 97 Ca 0.26 -1.94 -0.03 0.00 -1.18 0.00 0.00 61.69 58.79 2kqn s THR 97 Cb -0.16 -1.83 -0.04 0.00 1.34 0.00 0.00 72.50 71.81 2kqn s THR 97 CO 0.13 -0.39 0.05 -0.36 -0.54 0.00 0.00 174.62 173.51 2kqn s PHE 98 N -2.25 3.31 -1.05 3.99 0.08 -1.26 -3.71 117.98 117.10 2kqn s PHE 98 Ca 0.16 0.30 -0.24 0.00 0.12 0.00 0.00 56.93 57.28 2kqn s PHE 98 Cb -0.05 -1.83 -0.07 0.00 -0.57 0.00 0.00 43.02 40.50 2kqn s PHE 98 CO 0.06 0.56 1.95 0.20 -0.10 0.00 0.00 175.22 177.89 2kqn s GLY 99 N -0.98 0.14 0.00 4.36 0.00 0.10 -4.77 107.32 106.17 2kqn s GLY 99 Ca 0.14 -1.83 0.00 0.00 0.00 0.00 0.00 44.72 43.04 2kqn s GLY 99 CO 0.04 3.54 0.36 0.61 0.00 0.00 0.00 173.10 177.65 2kqn n GLN 100 N 8.56 0.59 0.00 2.90 0.00 -1.26 -4.00 117.38 124.16 2kqn n GLN 100 Ca 0.43 0.00 0.10 0.00 0.00 0.00 0.00 57.00 57.53 2kqn n GLN 100 Cb 0.47 -1.23 0.07 0.00 0.00 0.00 0.00 30.24 29.55 2kqn n GLN 100 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.06 177.47 2kqn n GLY 101 N 0.18 0.52 2.96 2.61 0.00 -1.26 -4.96 105.19 105.24 2kqn n GLY 101 Ca 0.00 -0.57 -0.18 0.00 0.00 0.00 0.00 46.02 45.27 2kqn n GLY 101 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2kqn s THR 102 N -1.71 0.57 -0.08 2.61 2.01 -1.25 -3.38 115.64 114.40 2kqn s THR 102 Ca 0.23 -0.25 0.03 0.00 0.31 0.00 0.00 61.69 62.01 2kqn s THR 102 Cb 0.16 -0.51 0.00 0.00 0.01 0.00 0.00 72.50 72.16 2kqn s THR 102 CO 0.27 0.19 -0.19 -0.75 -0.69 0.00 0.00 174.62 173.45 2kqn s LYS 103 N 0.20 2.42 -0.11 4.92 2.36 -0.66 -2.96 119.74 125.91 2kqn s LYS 103 Ca -0.02 -0.68 -0.03 0.00 -2.55 0.00 0.00 55.97 52.69 2kqn s LYS 103 Cb -0.07 -1.89 -0.03 0.00 -1.05 0.00 0.00 37.83 34.78 2kqn s LYS 103 CO -0.00 0.13 0.01 -1.17 1.55 0.00 0.00 175.35 175.87 2kqn s LEU 104 N 0.44 3.59 0.26 5.43 2.96 -0.70 -1.27 118.68 129.39 2kqn s LEU 104 Ca -0.16 0.11 0.01 0.00 -0.22 0.00 0.00 54.13 53.87 2kqn s LEU 104 Cb -0.17 -1.84 -0.05 0.00 0.50 0.00 0.00 46.19 44.63 2kqn s LEU 104 CO 0.06 0.32 0.10 -1.61 -1.32 0.00 0.00 176.35 173.90 2kqn s GLU 105 N -0.52 1.42 -0.11 1.98 0.41 -0.52 -3.57 118.70 117.78 2kqn s GLU 105 Ca 0.09 -1.77 -0.02 0.00 -0.41 0.00 0.00 54.97 52.86 2kqn s GLU 105 Cb -0.12 -0.28 -0.03 0.00 -1.78 0.00 0.00 34.13 31.92 2kqn s GLU 105 CO 0.02 -0.29 -0.02 0.42 -0.49 0.00 0.00 175.26 174.90 2kqn s ILE 106 N -3.75 4.11 -0.07 -1.63 1.01 -1.24 -0.06 121.20 119.57 2kqn s ILE 106 Ca 0.38 -0.31 -0.30 0.00 0.00 0.00 0.00 60.65 60.42 2kqn s ILE 106 Cb 0.08 -2.75 -0.04 0.00 0.01 0.00 0.00 42.46 39.76 2kqn s ILE 106 CO 0.14 0.56 1.42 -0.54 0.00 0.00 0.00 174.94 176.52 2kqn s LYS 107 N -0.35 4.24 0.00 2.79 1.02 -1.06 -4.72 119.74 121.66 2kqn s LYS 107 Ca 0.06 1.92 0.00 0.00 0.02 0.00 0.00 55.97 57.98 2kqn s LYS 107 Cb -0.12 -3.76 0.00 0.00 -0.52 0.00 0.00 37.83 33.43 2kqn s LYS 107 CO 0.02 -0.69 0.00 -2.13 -0.92 0.00 0.00 175.35 171.63