#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 4.70 -0.12 2.12 1.01 -1.26 -4.81 121.20 122.84 2kqn s ILE 2 Ca 0.00 0.01 -0.25 0.00 0.00 0.00 0.00 60.65 60.41 2kqn s ILE 2 Cb 0.00 -4.34 -0.02 0.00 0.01 0.00 0.00 42.46 38.10 2kqn s ILE 2 CO 0.00 -0.82 0.78 -1.58 0.00 0.00 0.00 174.94 173.32 2kqn s GLN 3 N 3.13 4.37 -0.20 2.79 2.00 -1.26 -4.31 119.66 126.18 2kqn s GLN 3 Ca 0.23 0.98 -0.15 0.00 -2.00 0.00 0.00 55.36 54.42 2kqn s GLN 3 Cb -0.15 -3.52 -0.04 0.00 0.80 0.00 0.00 33.01 30.10 2kqn s GLN 3 CO 0.17 -0.15 0.36 -1.64 -0.50 0.00 0.00 175.29 173.54 2kqn s MET 4 N 1.52 4.17 -0.19 1.67 -1.94 -1.26 -0.39 119.30 122.88 2kqn s MET 4 Ca 0.39 0.14 -0.03 0.00 -1.71 0.00 0.00 55.69 54.48 2kqn s MET 4 Cb -0.17 -3.53 -0.01 0.00 2.01 0.00 0.00 34.83 33.12 2kqn s MET 4 CO 0.16 -0.00 -0.05 0.99 -0.01 0.00 0.00 175.02 176.10 2kqn s THR 5 N 1.21 3.48 -0.05 2.05 2.01 0.17 -3.85 115.64 120.66 2kqn s THR 5 Ca 0.18 -0.47 0.01 0.00 0.31 0.00 0.00 61.69 61.71 2kqn s THR 5 Cb -0.14 -2.55 -0.03 0.00 0.01 0.00 0.00 72.50 69.78 2kqn s THR 5 CO 0.07 0.45 -0.05 -1.10 -0.69 0.00 0.00 174.62 173.30 2kqn s GLN 6 N 1.03 2.75 -0.00 4.92 -0.21 -1.26 0.43 119.66 127.32 2kqn s GLN 6 Ca 0.01 -0.56 -0.05 0.00 0.02 0.00 0.00 55.36 54.78 2kqn s GLN 6 Cb -0.15 -2.61 -0.00 0.00 1.00 0.00 0.00 33.01 31.25 2kqn s GLN 6 CO 0.00 0.66 0.09 -1.12 -2.12 0.00 0.00 175.29 172.80 2kqn s SER 7 N -0.98 0.05 0.94 5.90 0.01 -0.22 -4.19 113.70 115.21 2kqn s SER 7 Ca 0.14 -0.18 -0.10 0.00 1.31 0.00 0.00 55.95 57.12 2kqn s SER 7 Cb -0.11 0.19 0.15 0.00 0.21 0.00 0.00 66.02 66.46 2kqn s SER 7 CO 0.03 -0.28 0.91 -0.81 0.41 0.00 0.00 173.24 173.50 2kqn n PRO 8 N 1.83 -0.76 -0.04 12.44 -0.04 -1.26 -1.30 135.00 145.86 2kqn n PRO 8 Ca -0.21 -1.53 -0.04 0.00 -0.04 0.00 0.00 63.50 61.68 2kqn n PRO 8 Cb 0.56 -0.89 0.18 0.00 -0.04 0.00 0.00 33.50 33.30 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 -1.11 0.62 -3.74 3.54 4.64 -1.82 -3.28 113.55 112.38 2kqn h SER 9 Ca -0.29 -0.19 0.10 0.00 -0.47 0.00 0.00 61.79 60.94 2kqn h SER 9 Cb 0.84 -0.17 -0.25 0.00 -0.31 0.00 0.00 62.40 62.52 2kqn h SER 9 CO 0.22 0.80 0.59 -0.94 -0.87 0.00 0.00 176.83 176.63 2kqn s SER 10 N -6.75 -0.33 -0.23 4.97 1.04 -1.26 -1.51 113.70 109.63 2kqn s SER 10 Ca -0.08 0.43 -0.18 0.00 0.48 0.00 0.00 55.95 56.60 2kqn s SER 10 Cb 0.14 0.36 0.06 0.00 0.10 0.00 0.00 66.02 66.69 2kqn s SER 10 CO 0.80 -0.26 0.59 -1.48 0.98 0.00 0.00 173.24 173.87 2kqn s LEU 11 N -0.80 -0.37 -0.12 2.42 2.34 -0.18 -4.90 118.68 117.07 2kqn s LEU 11 Ca 0.01 1.21 -0.02 0.00 0.06 0.00 0.00 54.13 55.39 2kqn s LEU 11 Cb -0.02 2.00 -0.03 0.00 -0.56 0.00 0.00 46.19 47.59 2kqn s LEU 11 CO -0.02 -0.21 -0.04 -0.44 -1.06 0.00 0.00 176.35 174.58 2kqn s SER 12 N 0.72 4.79 0.03 1.48 0.01 -1.26 -2.28 113.70 117.19 2kqn s SER 12 Ca -0.03 -0.06 -0.01 0.00 1.31 0.00 0.00 55.95 57.16 2kqn s SER 12 Cb -0.05 -1.54 -0.02 0.00 0.21 0.00 0.00 66.02 64.62 2kqn s SER 12 CO -0.05 0.26 -0.02 0.00 0.41 0.00 0.00 173.24 173.84 2kqn s ALA 13 N -0.19 0.21 0.38 1.44 0.00 0.76 -4.69 121.76 119.67 2kqn s ALA 13 Ca 0.03 -0.75 -0.06 0.00 0.00 0.00 0.00 51.96 51.18 2kqn s ALA 13 Cb -0.13 0.19 -0.05 0.00 0.00 0.00 0.00 23.12 23.13 2kqn s ALA 13 CO 0.02 -0.23 0.68 -1.54 0.00 0.00 0.00 175.76 174.70 2kqn s SER 14 N -1.91 6.41 -0.14 0.00 1.04 -1.26 -2.38 113.70 115.46 2kqn s SER 14 Ca -0.09 0.88 -0.39 0.00 0.48 0.00 0.00 55.95 56.83 2kqn s SER 14 Cb -0.04 -2.22 -0.16 0.00 0.10 0.00 0.00 66.02 63.70 2kqn s SER 14 CO -0.04 -0.37 1.58 0.52 0.98 0.00 0.00 173.24 175.91 2kqn n VAL 15 N -1.49 0.18 0.00 5.02 0.31 -1.26 -1.09 118.33 120.01 2kqn n VAL 15 Ca -0.00 -0.03 0.00 0.00 -0.01 0.00 0.00 64.34 64.30 2kqn n VAL 15 Cb 0.54 -1.05 0.00 0.00 -0.91 0.00 0.00 33.84 32.43 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 3.52 1.40 3.93 2.92 0.00 0.01 -4.88 105.19 112.09 2kqn n GLY 16 Ca 0.23 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 46.00 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 -1.63 6.33 0.10 1.61 1.11 -0.25 -4.58 116.67 119.36 2kqn s ASP 17 Ca 0.00 0.53 -0.10 0.00 0.18 0.00 0.00 52.55 53.15 2kqn s ASP 17 Cb 0.00 -2.06 -0.06 0.00 1.07 0.00 0.00 42.92 41.87 2kqn s ASP 17 CO 0.00 -0.27 0.42 -0.13 1.18 0.00 0.00 175.17 176.37 2kqn s ARG 18 N -4.11 3.78 -0.04 8.23 0.52 -1.26 -2.25 118.95 123.82 2kqn s ARG 18 Ca 0.41 0.20 0.03 0.00 -0.52 0.00 0.00 55.73 55.85 2kqn s ARG 18 Cb -0.10 -2.96 0.00 0.00 0.52 0.00 0.00 34.95 32.41 2kqn s ARG 18 CO 0.35 0.53 -0.12 0.08 0.02 0.00 0.00 175.30 176.16 2kqn s VAL 19 N -1.44 1.04 -0.20 3.52 1.01 -0.97 -4.96 120.40 118.40 2kqn s VAL 19 Ca 0.35 -0.48 -0.02 0.00 0.00 0.00 0.00 61.98 61.83 2kqn s VAL 19 Cb -0.14 -0.92 0.00 0.00 0.00 0.00 0.00 36.38 35.32 2kqn s VAL 19 CO 0.19 0.32 -0.10 -0.89 0.00 0.00 0.00 175.10 174.61 2kqn s THR 20 N 0.27 2.93 0.02 3.92 2.01 -1.26 -0.71 115.64 122.83 2kqn s THR 20 Ca -0.06 -0.65 0.06 0.00 0.31 0.00 0.00 61.69 61.36 2kqn s THR 20 Cb -0.11 -2.30 -0.03 0.00 0.01 0.00 0.00 72.50 70.07 2kqn s THR 20 CO 0.02 0.47 -0.17 -0.63 -0.69 0.00 0.00 174.62 173.61 2kqn s ILE 21 N 1.32 2.83 -0.07 1.82 1.01 0.12 -4.72 121.20 123.51 2kqn s ILE 21 Ca 0.04 -1.10 0.02 0.00 0.00 0.00 0.00 60.65 59.61 2kqn s ILE 21 Cb -0.14 -2.17 0.01 0.00 0.01 0.00 0.00 42.46 40.17 2kqn s ILE 21 CO -0.05 0.38 -0.12 -0.89 0.00 0.00 0.00 174.94 174.26 2kqn s THR 22 N -0.89 1.11 -0.08 2.92 2.01 -0.42 -0.22 115.64 120.07 2kqn s THR 22 Ca 0.14 -0.45 0.04 0.00 0.31 0.00 0.00 61.69 61.73 2kqn s THR 22 Cb -0.11 -1.02 -0.01 0.00 0.01 0.00 0.00 72.50 71.37 2kqn s THR 22 CO 0.04 0.35 -0.22 0.00 -0.69 0.00 0.00 174.62 174.10 2kqn s GLN 24 N 0.01 1.69 -0.00 0.00 -0.21 0.17 -0.30 119.66 121.02 2kqn s GLN 24 Ca -0.08 -0.98 -0.01 0.00 0.02 0.00 0.00 55.36 54.31 2kqn s GLN 24 Cb -0.15 -1.79 -0.04 0.00 1.00 0.00 0.00 33.01 32.03 2kqn s GLN 24 CO 0.05 0.47 0.09 0.00 -2.12 0.00 0.00 175.29 173.78 2kqn s ALA 25 N -0.73 3.63 0.29 6.09 0.00 -0.70 0.44 121.76 130.78 2kqn s ALA 25 Ca 0.10 -0.86 0.01 0.00 0.00 0.00 0.00 51.96 51.20 2kqn s ALA 25 Cb -0.09 -1.61 0.45 0.00 0.00 0.00 0.00 23.12 21.86 2kqn s ALA 25 CO 0.01 0.70 1.81 1.03 0.00 0.00 0.00 175.76 179.31 2kqn h SER 26 N 4.04 0.65 -5.01 0.00 0.87 -1.03 -3.45 113.55 109.63 2kqn h SER 26 Ca -0.49 -0.14 -0.17 0.00 -1.23 0.00 0.00 61.79 59.76 2kqn h SER 26 Cb 1.18 -0.17 -0.19 0.00 -0.44 0.00 0.00 62.40 62.78 2kqn h SER 26 CO 0.63 0.71 -0.70 -1.58 -0.53 0.00 0.00 176.83 175.36 2kqn s GLN 27 N -4.99 0.42 0.41 2.24 0.74 -1.26 -4.95 119.66 112.27 2kqn s GLN 27 Ca -0.09 -0.79 -0.25 0.00 0.05 0.00 0.00 55.36 54.28 2kqn s GLN 27 Cb 0.15 0.09 -0.08 0.00 1.10 0.00 0.00 33.01 34.26 2kqn s GLN 27 CO 0.79 -0.05 1.24 -0.51 -0.55 0.00 0.00 175.29 176.21 2kqn s ASP 28 N -1.87 6.33 -0.08 6.67 1.01 -1.26 -4.77 116.67 122.70 2kqn s ASP 28 Ca -0.09 2.50 0.13 0.00 0.71 0.00 0.00 52.55 55.80 2kqn s ASP 28 Cb -0.05 -2.63 0.25 0.00 1.01 0.00 0.00 42.92 41.50 2kqn s ASP 28 CO -0.03 -0.82 1.12 2.30 0.21 0.00 0.00 175.17 177.95 2kqn n ILE 29 N -0.00 1.08 0.00 0.77 -5.35 -1.19 -5.01 119.36 109.67 2kqn n ILE 29 Ca 0.05 -1.56 0.00 0.00 -0.27 0.00 0.00 62.75 60.97 2kqn n ILE 29 Cb 0.45 0.18 0.00 0.00 -1.74 0.00 0.00 39.64 38.53 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 -0.64 0.00 -0.17 7.28 5.15 -1.26 -1.25 115.26 124.36 2kqn n ASN 30 Ca 0.10 0.00 0.00 0.00 -0.60 0.00 0.00 54.58 54.08 2kqn n ASN 30 Cb 0.75 0.00 0.00 0.00 -0.53 0.00 0.00 39.78 40.00 2kqn n ASN 30 CO 0.00 0.00 0.00 -0.46 1.40 0.00 0.00 177.26 178.20 2kqn n ASN 31 N 2.00 0.00 -4.54 1.20 6.94 -1.26 -0.39 115.26 119.22 2kqn n ASN 31 Ca 0.00 -1.05 -0.43 0.00 -0.02 0.00 0.00 54.58 53.08 2kqn n ASN 31 Cb 0.00 -0.01 -0.00 0.00 -2.36 0.00 0.00 39.78 37.41 2kqn n ASN 31 CO 0.00 0.00 0.00 -0.31 -1.03 0.00 0.00 177.26 175.92 2kqn s TYR 32 N 0.00 2.99 0.00 -2.53 2.02 -0.38 -2.71 117.35 116.74 2kqn s TYR 32 Ca 0.00 -1.72 0.04 0.00 -0.37 0.00 0.00 57.07 55.02 2kqn s TYR 32 Cb 0.00 -4.61 -0.01 0.00 -0.40 0.00 0.00 41.96 36.94 2kqn s TYR 32 CO 0.00 -1.69 -0.12 -1.17 -1.57 0.00 0.00 175.55 171.00 2kqn s LEU 33 N 3.45 2.07 0.01 -1.29 1.98 -1.26 -2.53 118.68 121.12 2kqn s LEU 33 Ca 0.49 -0.29 0.08 0.00 -2.89 0.00 0.00 54.13 51.52 2kqn s LEU 33 Cb 0.01 -0.60 -0.02 0.00 0.66 0.00 0.00 46.19 46.24 2kqn s LEU 33 CO 0.04 0.11 -0.23 -0.63 -1.89 0.00 0.00 176.35 173.75 2kqn s ILE 34 N -0.45 1.82 -0.10 6.68 1.01 0.23 -1.34 121.20 129.06 2kqn s ILE 34 Ca 0.03 -1.13 0.02 0.00 0.00 0.00 0.00 60.65 59.57 2kqn s ILE 34 Cb -0.06 -1.54 -0.02 0.00 0.01 0.00 0.00 42.46 40.85 2kqn s ILE 34 CO -0.00 0.38 -0.14 0.26 0.00 0.00 0.00 174.94 175.44 2kqn s TRP 35 N -0.67 2.76 0.24 3.97 0.52 0.18 0.19 118.94 126.13 2kqn s TRP 35 Ca 0.09 -0.46 0.09 0.00 0.02 0.00 0.00 56.10 55.84 2kqn s TRP 35 Cb -0.09 -1.75 -0.05 0.00 -1.15 0.00 0.00 33.47 30.43 2kqn s TRP 35 CO 0.01 -0.06 -0.15 0.71 0.02 0.00 0.00 176.95 177.48 2kqn s TYR 36 N -0.09 1.91 -0.12 -1.98 2.02 0.22 0.19 117.35 119.49 2kqn s TYR 36 Ca -0.02 -0.52 0.02 0.00 -0.37 0.00 0.00 57.07 56.18 2kqn s TYR 36 Cb -0.14 -0.89 0.01 0.00 -0.40 0.00 0.00 41.96 40.54 2kqn s TYR 36 CO 0.04 0.45 -0.17 1.14 -1.57 0.00 0.00 175.55 175.43 2kqn s GLN 37 N -3.62 2.49 -0.48 -0.62 -2.07 -0.72 -2.20 119.66 112.44 2kqn s GLN 37 Ca 0.25 -0.66 -0.16 0.00 -1.82 0.00 0.00 55.36 52.97 2kqn s GLN 37 Cb -0.01 -2.08 0.07 0.00 -1.09 0.00 0.00 33.01 29.90 2kqn s GLN 37 CO 0.10 -0.05 0.46 -1.14 -1.32 0.00 0.00 175.29 173.33 2kqn s GLN 38 N 0.94 3.01 -0.36 9.60 -0.44 0.73 -2.41 119.66 130.74 2kqn s GLN 38 Ca -0.06 -1.26 -0.14 0.00 -2.50 0.00 0.00 55.36 51.39 2kqn s GLN 38 Cb -0.15 -4.14 -0.00 0.00 -1.64 0.00 0.00 33.01 27.08 2kqn s GLN 38 CO -0.02 -1.09 0.29 0.15 0.50 0.00 0.00 175.29 175.12 2kqn s LYS 39 N 1.88 3.35 -0.44 1.67 1.02 -1.26 -1.80 119.74 124.15 2kqn s LYS 39 Ca 0.07 -0.70 -0.44 0.00 0.02 0.00 0.00 55.97 54.91 2kqn s LYS 39 Cb -0.23 -3.86 -0.18 0.00 -0.52 0.00 0.00 37.83 33.03 2kqn s LYS 39 CO 0.08 -0.56 1.80 -2.30 -0.92 0.00 0.00 175.35 173.45 2kqn n PRO 40 N 5.20 0.33 0.00 -1.68 -0.02 -1.26 -0.41 135.00 137.17 2kqn n PRO 40 Ca -0.11 0.11 0.00 0.00 -2.02 0.00 0.00 63.50 61.48 2kqn n PRO 40 Cb 0.49 -1.70 0.00 0.00 -0.02 0.00 0.00 33.50 32.27 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 5.05 3.24 3.66 -1.23 0.00 -1.26 -5.05 105.19 109.59 2kqn n GLY 41 Ca 0.36 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 46.12 2kqn n GLY 41 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 2kqn s GLN 42 N -0.79 2.37 0.51 1.61 0.74 0.46 -5.11 119.66 119.45 2kqn s GLN 42 Ca 0.00 -1.15 -0.19 0.00 0.05 0.00 0.00 55.36 54.07 2kqn s GLN 42 Cb 0.00 -2.32 -0.07 0.00 1.10 0.00 0.00 33.01 31.71 2kqn s GLN 42 CO 0.00 0.44 1.05 0.00 -0.55 0.00 0.00 175.29 176.24 2kqn s ALA 43 N -1.79 2.83 0.72 1.58 0.00 -1.26 -4.43 121.76 119.41 2kqn s ALA 43 Ca 0.28 0.59 -0.16 0.00 0.00 0.00 0.00 51.96 52.67 2kqn s ALA 43 Cb -0.09 -3.26 0.03 0.00 0.00 0.00 0.00 23.12 19.80 2kqn s ALA 43 CO 0.18 -0.46 1.24 -1.25 0.00 0.00 0.00 175.76 175.48 2kqn s PRO 44 N -3.40 2.17 -0.08 0.00 0.04 -1.26 -4.70 135.00 127.76 2kqn s PRO 44 Ca 0.67 1.88 0.04 0.00 0.04 0.00 0.00 61.00 63.63 2kqn s PRO 44 Cb -0.17 -1.82 0.00 0.00 0.04 0.00 0.00 34.50 32.55 2kqn s PRO 44 CO 0.24 -1.84 -0.22 0.21 0.04 0.00 0.00 177.00 175.43 2kqn s LYS 45 N -3.76 2.65 -0.02 4.56 2.20 -1.01 -4.93 119.74 119.42 2kqn s LYS 45 Ca 0.77 -0.78 -0.30 0.00 -0.36 0.00 0.00 55.97 55.30 2kqn s LYS 45 Cb -0.32 -2.07 -0.07 0.00 -1.51 0.00 0.00 37.83 33.86 2kqn s LYS 45 CO 0.44 0.19 1.75 -1.17 -0.36 0.00 0.00 175.35 176.20 2kqn s LEU 46 N 0.30 4.36 -0.21 5.43 0.20 -1.26 -1.76 118.68 125.74 2kqn s LEU 46 Ca -0.15 2.38 -0.12 0.00 0.69 0.00 0.00 54.13 56.92 2kqn s LEU 46 Cb -0.17 -3.53 -0.09 0.00 -0.43 0.00 0.00 46.19 41.97 2kqn s LEU 46 CO 0.07 -0.96 -0.30 -0.11 -0.29 0.00 0.00 176.35 174.76 2kqn n LEU 47 N 7.20 1.66 -4.04 -0.68 7.94 0.13 -4.82 117.00 124.39 2kqn n LEU 47 Ca 0.18 0.29 -0.20 0.00 -1.11 0.00 0.00 56.01 55.17 2kqn n LEU 47 Cb 0.42 -0.68 -0.15 0.00 0.53 0.00 0.00 43.42 43.54 2kqn n LEU 47 CO 0.64 0.32 -0.44 -0.63 -1.11 0.00 0.00 177.39 176.16 2kqn s ILE 48 N -2.49 0.82 0.28 1.96 1.01 -1.06 -2.20 121.20 119.52 2kqn s ILE 48 Ca -0.31 -0.44 0.02 0.00 0.00 0.00 0.00 60.65 59.92 2kqn s ILE 48 Cb 0.11 -0.69 -0.06 0.00 0.01 0.00 0.00 42.46 41.83 2kqn s ILE 48 CO 0.40 0.23 0.07 -0.72 0.00 0.00 0.00 174.94 174.92 2kqn s TYR 49 N -0.22 1.69 -0.93 3.97 -0.85 0.96 0.50 117.35 122.46 2kqn s TYR 49 Ca 0.04 -1.07 0.00 0.00 -0.52 0.00 0.00 57.07 55.51 2kqn s TYR 49 Cb -0.04 -1.03 0.00 0.00 0.38 0.00 0.00 41.96 41.27 2kqn s TYR 49 CO -0.00 -0.18 0.00 -3.47 -1.52 0.00 0.00 175.55 170.37 2kqn n ASP 50 N -0.53 -5.37 0.00 -0.18 2.03 -0.62 -0.51 116.55 111.37 2kqn n ASP 50 Ca -0.01 0.22 0.00 0.00 0.52 0.00 0.00 54.79 55.51 2kqn n ASP 50 Cb 0.66 -3.64 0.00 0.00 -0.72 0.00 0.00 41.12 37.42 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 1.16 0.00 0.03 -1.67 0.00 -0.45 -4.30 120.51 115.29 2kqn n ALA 51 Ca -0.09 0.00 0.01 0.00 0.00 0.00 0.00 53.44 53.37 2kqn n ALA 51 Cb 0.51 0.00 0.03 0.00 0.00 0.00 0.00 19.45 19.98 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 1.41 1.79 -4.48 0.00 7.64 -1.21 -3.95 113.62 114.81 2kqn n SER 52 Ca 0.00 -1.60 -0.36 0.00 1.01 0.00 0.00 58.87 57.93 2kqn n SER 52 Cb 0.00 -0.03 -0.12 0.00 -1.01 0.00 0.00 64.21 63.05 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 -0.65 4.33 0.14 0.44 2.01 0.33 -4.73 115.64 117.50 2kqn s THR 53 Ca 0.05 -0.18 -0.29 0.00 0.31 0.00 0.00 61.69 61.58 2kqn s THR 53 Cb 0.03 -2.99 -0.07 0.00 0.01 0.00 0.00 72.50 69.48 2kqn s THR 53 CO 0.04 0.38 0.91 -0.76 -0.69 0.00 0.00 174.62 174.50 2kqn s LEU 54 N 1.24 4.54 0.35 4.42 1.02 -1.26 -0.03 118.68 128.96 2kqn s LEU 54 Ca 0.04 1.77 -0.27 0.00 0.02 0.00 0.00 54.13 55.69 2kqn s LEU 54 Cb -0.15 -3.51 -0.09 0.00 0.02 0.00 0.00 46.19 42.46 2kqn s LEU 54 CO 0.03 0.02 1.19 -0.70 0.02 0.00 0.00 176.35 176.91 2kqn s GLU 55 N -0.39 4.30 -0.05 1.70 -6.30 -0.94 -4.91 118.70 112.12 2kqn s GLU 55 Ca 0.43 1.94 -0.30 0.00 -2.50 0.00 0.00 54.97 54.55 2kqn s GLU 55 Cb -0.24 -2.93 -0.06 0.00 0.00 0.00 0.00 34.13 30.91 2kqn s GLU 55 CO 0.29 -0.14 1.70 0.99 0.02 0.00 0.00 175.26 178.12 2kqn s THR 56 N -1.27 3.50 0.00 -1.70 2.01 -1.26 -1.07 115.64 115.86 2kqn s THR 56 Ca 0.51 0.61 0.00 0.00 0.31 0.00 0.00 61.69 63.12 2kqn s THR 56 Cb -0.34 -3.40 0.00 0.00 0.01 0.00 0.00 72.50 68.78 2kqn s THR 56 CO 0.43 -0.06 0.00 0.61 -0.69 0.00 0.00 174.62 174.92 2kqn n GLY 57 N 4.21 2.10 3.67 4.40 0.00 -1.26 -5.07 105.19 113.23 2kqn n GLY 57 Ca 0.18 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.77 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 -2.10 4.30 0.36 1.61 1.01 -0.23 -4.99 120.40 120.35 2kqn s VAL 58 Ca 0.00 1.59 -0.28 0.00 0.00 0.00 0.00 61.98 63.29 2kqn s VAL 58 Cb 0.00 -4.02 -0.12 0.00 0.00 0.00 0.00 36.38 32.24 2kqn s VAL 58 CO 0.00 -0.10 1.31 -2.65 0.00 0.00 0.00 175.10 173.66 2kqn n PRO 59 N 6.18 2.16 0.00 2.72 -0.02 -1.26 -4.84 135.00 139.94 2kqn n PRO 59 Ca 0.13 0.76 0.01 0.00 -2.02 0.00 0.00 63.50 62.38 2kqn n PRO 59 Cb 0.45 -2.38 0.06 0.00 -0.02 0.00 0.00 33.50 31.61 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 0.63 0.00 0.06 2.55 7.64 -1.26 -1.70 113.62 121.54 2kqn n SER 60 Ca 0.05 0.29 0.04 0.00 1.01 0.00 0.00 58.87 60.25 2kqn n SER 60 Cb 0.37 -0.32 0.44 0.00 -1.01 0.00 0.00 64.21 63.69 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 0.41 -6.54 1.43 3.08 -1.91 -3.43 114.38 107.42 2kqn h ARG 61 Ca 0.00 -0.04 -0.52 0.00 0.07 0.00 0.00 59.98 59.49 2kqn h ARG 61 Cb 0.02 -0.08 -0.03 0.00 0.08 0.00 0.00 29.97 29.96 2kqn h ARG 61 CO 0.00 0.33 0.01 -0.06 -1.07 0.00 0.00 179.97 179.17 2kqn s PHE 62 N -5.25 3.48 -0.20 3.04 0.08 -0.69 0.69 117.98 119.13 2kqn s PHE 62 Ca -0.07 1.13 -0.21 0.00 0.12 0.00 0.00 56.93 57.89 2kqn s PHE 62 Cb 0.17 -2.45 0.06 0.00 -0.57 0.00 0.00 43.02 40.23 2kqn s PHE 62 CO 0.73 0.25 0.60 -1.54 -0.10 0.00 0.00 175.22 175.15 2kqn s SER 63 N -2.08 -0.61 -0.06 1.36 1.04 -0.58 -4.93 113.70 107.84 2kqn s SER 63 Ca 0.47 1.13 0.01 0.00 0.48 0.00 0.00 55.95 58.05 2kqn s SER 63 Cb -0.13 1.14 0.02 0.00 0.10 0.00 0.00 66.02 67.16 2kqn s SER 63 CO 0.19 -0.25 -0.08 -0.83 0.98 0.00 0.00 173.24 173.26 2kqn s GLY 64 N 0.15 0.63 -0.04 7.32 0.00 -1.26 -0.16 107.32 113.96 2kqn s GLY 64 Ca -0.01 -0.25 0.02 0.00 0.00 0.00 0.00 44.72 44.47 2kqn s GLY 64 CO 0.02 0.34 -0.07 -1.35 0.00 0.00 0.00 173.10 172.04 2kqn s SER 65 N 0.89 1.05 0.00 1.64 1.04 0.88 -3.67 113.70 115.54 2kqn s SER 65 Ca -0.11 -0.16 0.00 0.00 0.48 0.00 0.00 55.95 56.16 2kqn s SER 65 Cb -0.15 -0.41 0.00 0.00 0.10 0.00 0.00 66.02 65.56 2kqn s SER 65 CO 0.01 0.00 0.00 0.61 0.98 0.00 0.00 173.24 174.84 2kqn n GLY 66 N 3.68 -0.84 3.54 7.32 0.00 -1.26 -0.17 105.19 117.47 2kqn n GLY 66 Ca -0.22 -1.65 -0.10 0.00 0.00 0.00 0.00 46.02 44.05 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 -0.26 -0.38 0.05 1.61 1.04 0.08 -4.74 113.70 111.09 2kqn s SER 67 Ca 0.00 0.25 0.00 0.00 0.48 0.00 0.00 55.95 56.68 2kqn s SER 67 Cb 0.00 0.34 0.00 0.00 0.10 0.00 0.00 66.02 66.46 2kqn s SER 67 CO 0.00 -0.47 0.00 0.61 0.98 0.00 0.00 173.24 174.36 2kqn n GLY 68 N 0.33 1.16 0.07 7.32 0.00 0.48 -2.18 105.19 112.37 2kqn n GLY 68 Ca -0.10 0.35 0.01 0.00 0.00 0.00 0.00 46.02 46.29 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 0.00 -3.90 2.61 -2.24 -1.26 -3.13 114.28 106.36 2kqn n THR 69 Ca 0.00 -0.47 -0.28 0.00 -2.27 0.00 0.00 64.05 61.03 2kqn n THR 69 Cb 0.00 1.04 -0.17 0.00 -2.10 0.00 0.00 70.33 69.10 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 -0.70 1.48 -0.07 -0.78 2.02 -0.93 -1.72 118.70 118.01 2kqn s GLU 70 Ca 0.03 -0.41 0.03 0.00 0.02 0.00 0.00 54.97 54.63 2kqn s GLU 70 Cb 0.02 -1.85 0.01 0.00 0.10 0.00 0.00 34.13 32.42 2kqn s GLU 70 CO 0.07 -0.37 -0.14 -0.06 0.02 0.00 0.00 175.26 174.78 2kqn s PHE 71 N 1.66 1.65 -0.16 1.61 0.08 0.59 -0.74 117.98 122.67 2kqn s PHE 71 Ca 0.02 -0.62 0.01 0.00 0.12 0.00 0.00 56.93 56.47 2kqn s PHE 71 Cb -0.14 -1.18 0.01 0.00 -0.57 0.00 0.00 43.02 41.14 2kqn s PHE 71 CO -0.08 -0.30 -0.19 0.99 -0.10 0.00 0.00 175.22 175.54 2kqn s THR 72 N 0.59 2.26 -0.20 0.64 2.01 0.76 -0.28 115.64 121.44 2kqn s THR 72 Ca -0.15 -0.90 -0.05 0.00 0.31 0.00 0.00 61.69 60.90 2kqn s THR 72 Cb -0.16 -1.93 -0.03 0.00 0.01 0.00 0.00 72.50 70.39 2kqn s THR 72 CO 0.05 0.53 0.01 0.12 -0.69 0.00 0.00 174.62 174.64 2kqn s PHE 73 N 0.94 3.07 -0.09 4.92 5.36 0.69 -0.08 117.98 132.79 2kqn s PHE 73 Ca -0.04 -0.36 0.01 0.00 -0.96 0.00 0.00 56.93 55.59 2kqn s PHE 73 Cb -0.15 -2.08 0.02 0.00 -0.34 0.00 0.00 43.02 40.47 2kqn s PHE 73 CO -0.04 -0.17 -0.12 0.99 -1.46 0.00 0.00 175.22 174.42 2kqn s THR 74 N 0.89 1.24 -0.35 0.12 2.01 0.77 0.14 115.64 120.46 2kqn s THR 74 Ca 0.01 -0.49 -0.16 0.00 0.31 0.00 0.00 61.69 61.36 2kqn s THR 74 Cb -0.14 -1.16 -0.01 0.00 0.01 0.00 0.00 72.50 71.20 2kqn s THR 74 CO 0.02 0.39 0.42 -0.63 -0.69 0.00 0.00 174.62 174.13 2kqn s ILE 75 N 1.05 5.11 0.22 1.82 1.01 0.11 -1.53 121.20 129.00 2kqn s ILE 75 Ca -0.07 0.14 0.01 0.00 0.00 0.00 0.00 60.65 60.73 2kqn s ILE 75 Cb -0.15 -3.88 -0.03 0.00 0.01 0.00 0.00 42.46 38.41 2kqn s ILE 75 CO -0.01 -0.15 1.56 -1.28 0.00 0.00 0.00 174.94 175.06 2kqn h SER 76 N 8.47 0.46 -2.72 3.58 0.87 -0.04 -2.57 113.55 121.60 2kqn h SER 76 Ca -0.29 -0.24 -0.42 0.00 -1.23 0.00 0.00 61.79 59.61 2kqn h SER 76 Cb 1.14 -0.13 -0.38 0.00 -0.44 0.00 0.00 62.40 62.58 2kqn h SER 76 CO 0.73 0.90 -0.71 -0.55 -0.53 0.00 0.00 176.83 176.67 2kqn s SER 77 N -6.90 2.28 0.19 6.23 0.15 -1.26 -4.35 113.70 110.05 2kqn s SER 77 Ca -0.06 -0.69 -0.30 0.00 0.70 0.00 0.00 55.95 55.60 2kqn s SER 77 Cb 0.12 0.01 -0.08 0.00 -1.71 0.00 0.00 66.02 64.35 2kqn s SER 77 CO 0.82 -0.37 1.25 -0.22 1.20 0.00 0.00 173.24 175.92 2kqn s LEU 78 N 2.21 4.43 0.17 3.45 1.98 -0.95 -4.77 118.68 125.20 2kqn s LEU 78 Ca 0.06 2.32 0.09 0.00 -2.89 0.00 0.00 54.13 53.72 2kqn s LEU 78 Cb -0.16 -3.61 -0.04 0.00 0.66 0.00 0.00 46.19 43.04 2kqn s LEU 78 CO -0.20 -0.45 -0.20 -1.10 -1.89 0.00 0.00 176.35 172.50 2kqn s GLN 79 N -0.21 1.34 0.24 1.98 -1.52 -1.26 -0.81 119.66 119.42 2kqn s GLN 79 Ca 0.55 -1.42 -0.07 0.00 -1.95 0.00 0.00 55.36 52.46 2kqn s GLN 79 Cb -0.35 -1.51 0.24 0.00 -0.22 0.00 0.00 33.01 31.17 2kqn s GLN 79 CO 0.38 0.32 1.90 -1.00 -0.25 0.00 0.00 175.29 176.64 2kqn h PRO 80 N 3.32 1.16 0.00 2.91 0.13 -1.99 -1.65 132.00 135.88 2kqn h PRO 80 Ca -0.44 -0.07 0.00 0.00 -0.87 0.00 0.00 66.00 64.62 2kqn h PRO 80 Cb 1.20 -0.26 0.00 0.00 0.13 0.00 0.00 31.00 32.07 2kqn h PRO 80 CO 0.49 0.77 0.00 0.39 -0.23 0.00 0.00 178.00 179.42 2kqn n GLU 81 N -4.47 0.20 -0.41 0.86 1.02 -1.26 -3.08 120.64 113.50 2kqn n GLU 81 Ca 0.11 0.19 0.08 0.00 -0.02 0.00 0.00 57.16 57.51 2kqn n GLU 81 Cb 0.04 -1.74 0.26 0.00 -0.02 0.00 0.00 31.44 29.97 2kqn n GLU 81 CO 0.00 0.00 0.00 -0.25 1.18 0.00 0.00 177.13 178.06 2kqn n ASP 82 N -2.10 3.45 -4.67 1.62 9.92 -0.63 -4.79 116.55 119.36 2kqn n ASP 82 Ca 0.06 -2.23 -0.43 0.00 -0.53 0.00 0.00 54.79 51.66 2kqn n ASP 82 Cb 0.40 -0.46 -0.03 0.00 -0.64 0.00 0.00 41.12 40.39 2kqn n ASP 82 CO 0.00 0.00 0.00 -0.22 0.13 0.00 0.00 177.20 177.11 2kqn s LEU 83 N -1.35 4.14 0.24 0.64 0.20 -1.17 -4.79 118.68 116.60 2kqn s LEU 83 Ca 0.38 1.35 -0.21 0.00 0.69 0.00 0.00 54.13 56.34 2kqn s LEU 83 Cb 0.23 -3.47 0.06 0.00 -0.43 0.00 0.00 46.19 42.59 2kqn s LEU 83 CO 0.20 -0.56 0.93 0.00 -0.29 0.00 0.00 176.35 176.63 2kqn s ALA 84 N 2.74 -1.36 -0.23 5.97 0.00 -1.26 -4.89 121.76 122.73 2kqn s ALA 84 Ca 0.43 -0.33 -0.18 0.00 0.00 0.00 0.00 51.96 51.88 2kqn s ALA 84 Cb -0.16 0.72 -0.03 0.00 0.00 0.00 0.00 23.12 23.65 2kqn s ALA 84 CO 0.10 -1.04 0.51 0.99 0.00 0.00 0.00 175.76 176.32 2kqn s THR 85 N -2.62 5.09 -0.11 0.00 2.01 -0.75 -3.15 115.64 116.10 2kqn s THR 85 Ca 0.17 0.91 -0.06 0.00 0.31 0.00 0.00 61.69 63.02 2kqn s THR 85 Cb -0.03 -3.83 -0.04 0.00 0.01 0.00 0.00 72.50 68.61 2kqn s THR 85 CO 0.06 0.13 0.10 -0.31 -0.69 0.00 0.00 174.62 173.91 2kqn s TYR 86 N 2.00 3.47 0.15 4.92 1.51 -1.20 -0.19 117.35 128.00 2kqn s TYR 86 Ca 0.22 0.42 -0.09 0.00 -1.01 0.00 0.00 57.07 56.61 2kqn s TYR 86 Cb -0.15 -1.90 -0.00 0.00 -0.11 0.00 0.00 41.96 39.79 2kqn s TYR 86 CO 0.09 0.65 0.28 1.52 -1.11 0.00 0.00 175.55 176.98 2kqn s TYR 87 N -0.94 0.31 0.01 2.71 -0.85 -0.93 -4.31 117.35 113.35 2kqn s TYR 87 Ca 0.14 -0.69 0.05 0.00 -0.52 0.00 0.00 57.07 56.06 2kqn s TYR 87 Cb -0.12 -0.03 -0.02 0.00 0.38 0.00 0.00 41.96 42.17 2kqn s TYR 87 CO 0.03 -0.69 -0.16 0.00 -1.52 0.00 0.00 175.55 173.21 2kqn s GLN 89 N -0.70 0.46 0.07 0.00 0.74 0.13 0.20 119.66 120.56 2kqn s GLN 89 Ca 0.05 -0.17 -0.02 0.00 0.05 0.00 0.00 55.36 55.27 2kqn s GLN 89 Cb -0.07 -0.45 -0.04 0.00 1.10 0.00 0.00 33.01 33.54 2kqn s GLN 89 CO 0.00 0.09 0.26 1.14 -0.55 0.00 0.00 175.29 176.23 2kqn s GLN 90 N 0.02 3.50 -0.08 1.67 1.03 -1.25 0.75 119.66 125.30 2kqn s GLN 90 Ca 0.00 -0.30 0.12 0.00 0.04 0.00 0.00 55.36 55.22 2kqn s GLN 90 Cb -0.04 -3.00 0.18 0.00 0.03 0.00 0.00 33.01 30.19 2kqn s GLN 90 CO -0.00 0.58 1.07 2.48 -2.54 0.00 0.00 175.29 176.89 2kqn n TYR 91 N 0.38 0.00 -0.02 9.60 4.11 -1.05 -4.54 117.16 125.65 2kqn n TYR 91 Ca -0.05 -0.70 -0.16 0.00 -0.00 0.00 0.00 57.90 56.99 2kqn n TYR 91 Cb 0.52 -0.11 -0.11 0.00 -0.00 0.00 0.00 39.34 39.64 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 0.00 0.34 -4.24 9.48 3.58 -1.88 -3.47 116.42 120.23 2kqn h ASP 92 Ca 0.00 -0.72 -0.15 0.00 0.42 0.00 0.00 57.03 56.58 2kqn h ASP 92 Cb 1.01 -0.10 -0.24 0.00 1.72 0.00 0.00 39.33 41.72 2kqn h ASP 92 CO 0.00 1.01 -0.40 0.21 -2.88 0.00 0.00 179.24 177.19 2kqn s ASN 93 N -6.41 -0.21 0.35 2.28 2.47 -1.26 -5.14 114.94 107.02 2kqn s ASN 93 Ca -0.15 0.32 -0.21 0.00 0.42 0.00 0.00 52.86 53.24 2kqn s ASN 93 Cb 0.02 0.44 -0.10 0.00 -1.45 0.00 0.00 41.25 40.16 2kqn s ASN 93 CO 0.77 -0.21 0.88 -0.76 -3.72 0.00 0.00 177.10 174.06 2kqn s LEU 94 N -0.40 4.14 0.43 3.21 1.43 -1.26 -4.16 118.68 122.07 2kqn s LEU 94 Ca -0.05 1.62 -0.10 0.00 -1.03 0.00 0.00 54.13 54.57 2kqn s LEU 94 Cb -0.03 -4.16 -0.06 0.00 0.03 0.00 0.00 46.19 41.96 2kqn s LEU 94 CO 0.01 -0.19 0.79 -2.16 0.23 0.00 0.00 176.35 175.04 2kqn s PRO 95 N -2.64 3.76 0.27 1.29 0.04 -1.26 -4.74 135.00 131.72 2kqn s PRO 95 Ca 0.54 0.48 -0.18 0.00 0.04 0.00 0.00 61.00 61.89 2kqn s PRO 95 Cb -0.13 -2.36 -0.09 0.00 0.04 0.00 0.00 34.50 31.96 2kqn s PRO 95 CO 0.18 -0.09 0.74 0.71 0.04 0.00 0.00 177.00 178.58 2kqn s TYR 96 N -2.45 3.52 0.07 0.56 2.02 -1.26 -4.10 117.35 115.70 2kqn s TYR 96 Ca 0.51 1.32 0.03 0.00 -0.37 0.00 0.00 57.07 58.56 2kqn s TYR 96 Cb -0.10 -2.59 -0.03 0.00 -0.40 0.00 0.00 41.96 38.84 2kqn s TYR 96 CO 0.33 0.22 -0.10 0.95 -1.57 0.00 0.00 175.55 175.39 2kqn s THR 97 N -1.74 0.76 -0.07 -0.71 -4.23 -1.26 -5.03 115.64 103.36 2kqn s THR 97 Ca 0.48 -1.33 -0.10 0.00 -1.18 0.00 0.00 61.69 59.56 2kqn s THR 97 Cb -0.14 -0.96 -0.05 0.00 1.34 0.00 0.00 72.50 72.69 2kqn s THR 97 CO 0.19 -0.43 0.25 -0.36 -0.54 0.00 0.00 174.62 173.74 2kqn s PHE 98 N -1.79 3.65 -0.37 3.99 0.08 -1.26 -3.83 117.98 118.45 2kqn s PHE 98 Ca -0.03 0.72 -0.15 0.00 0.12 0.00 0.00 56.93 57.59 2kqn s PHE 98 Cb -0.07 -2.10 0.00 0.00 -0.57 0.00 0.00 43.02 40.28 2kqn s PHE 98 CO 0.00 0.68 0.32 0.20 -0.10 0.00 0.00 175.22 176.32 2kqn s GLY 99 N -0.97 1.95 -0.06 4.36 0.00 0.13 -4.65 107.32 108.07 2kqn s GLY 99 Ca 0.18 -1.45 0.10 0.00 0.00 0.00 0.00 44.72 43.55 2kqn s GLY 99 CO 0.08 0.94 1.09 0.61 0.00 0.00 0.00 173.10 175.82 2kqn n GLN 100 N 5.28 0.60 0.00 2.90 -0.00 -1.26 -1.80 117.38 123.10 2kqn n GLN 100 Ca -0.10 -1.85 0.07 0.00 -0.00 0.00 0.00 57.00 55.12 2kqn n GLN 100 Cb 0.48 -0.92 0.40 0.00 -0.00 0.00 0.00 30.24 30.21 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 -0.58 -0.63 3.20 2.61 0.00 -1.26 -4.70 105.19 103.82 2kqn n GLY 101 Ca 0.08 -0.08 -0.33 0.00 0.00 0.00 0.00 46.02 45.69 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 -2.00 2.19 -0.12 2.61 2.01 -1.24 -3.23 115.64 115.86 2kqn s THR 102 Ca 0.20 -0.94 0.01 0.00 0.31 0.00 0.00 61.69 61.28 2kqn s THR 102 Cb 0.09 -1.88 -0.01 0.00 0.01 0.00 0.00 72.50 70.71 2kqn s THR 102 CO 0.16 0.54 -0.16 -0.75 -0.69 0.00 0.00 174.62 173.72 2kqn s LYS 103 N 0.74 3.22 -0.04 4.92 2.47 -0.57 -3.26 119.74 127.23 2kqn s LYS 103 Ca -0.08 -0.74 0.00 0.00 -1.56 0.00 0.00 55.97 53.58 2kqn s LYS 103 Cb -0.16 -2.51 -0.03 0.00 -1.46 0.00 0.00 37.83 33.66 2kqn s LYS 103 CO 0.00 0.23 -0.01 -1.17 0.16 0.00 0.00 175.35 174.57 2kqn s LEU 104 N 0.27 3.50 0.22 5.43 2.96 -1.19 -1.01 118.68 128.87 2kqn s LEU 104 Ca -0.12 0.05 -0.03 0.00 -0.22 0.00 0.00 54.13 53.81 2kqn s LEU 104 Cb -0.16 -1.91 -0.03 0.00 0.50 0.00 0.00 46.19 44.58 2kqn s LEU 104 CO 0.06 0.32 0.21 -1.61 -1.32 0.00 0.00 176.35 174.02 2kqn s GLU 105 N -1.24 1.30 -0.12 1.98 2.02 -0.97 -4.30 118.70 117.37 2kqn s GLU 105 Ca 0.17 -1.57 -0.01 0.00 0.02 0.00 0.00 54.97 53.57 2kqn s GLU 105 Cb -0.11 0.31 -0.03 0.00 0.10 0.00 0.00 34.13 34.40 2kqn s GLU 105 CO 0.07 -0.46 -0.07 0.42 0.02 0.00 0.00 175.26 175.24 2kqn s ILE 106 N -4.09 3.66 -0.07 -1.63 1.01 -1.24 -0.17 121.20 118.68 2kqn s ILE 106 Ca 0.36 -0.46 -0.30 0.00 0.00 0.00 0.00 60.65 60.25 2kqn s ILE 106 Cb 0.05 -2.55 -0.04 0.00 0.01 0.00 0.00 42.46 39.93 2kqn s ILE 106 CO 0.12 0.54 1.44 -0.54 0.00 0.00 0.00 174.94 176.50 2kqn s LYS 107 N -0.11 4.24 0.00 2.79 1.02 -1.00 -4.79 119.74 121.88 2kqn s LYS 107 Ca 0.01 1.94 0.27 0.00 0.02 0.00 0.00 55.97 58.22 2kqn s LYS 107 Cb -0.13 -3.76 0.90 0.00 -0.52 0.00 0.00 37.83 34.31 2kqn s LYS 107 CO 0.03 -0.70 1.66 -2.13 -0.92 0.00 0.00 175.35 173.29