#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 4.82 0.21 2.12 1.01 -1.26 -4.91 121.20 123.19 2kqn s ILE 2 Ca 0.00 1.65 -0.28 0.00 0.00 0.00 0.00 60.65 62.02 2kqn s ILE 2 Cb 0.00 -4.15 -0.09 0.00 0.01 0.00 0.00 42.46 38.24 2kqn s ILE 2 CO 0.00 -0.08 0.87 -1.10 0.00 0.00 0.00 174.94 174.63 2kqn s GLN 3 N 2.82 4.72 -0.40 2.79 1.11 -1.26 -4.57 119.66 124.86 2kqn s GLN 3 Ca 0.37 1.34 -0.07 0.00 0.01 0.00 0.00 55.36 57.01 2kqn s GLN 3 Cb -0.15 -3.24 0.08 0.00 -1.01 0.00 0.00 33.01 28.69 2kqn s GLN 3 CO 0.08 0.53 0.21 -1.64 0.01 0.00 0.00 175.29 174.48 2kqn s MET 4 N -1.22 2.43 -0.34 2.91 -1.94 -1.26 -0.99 119.30 118.88 2kqn s MET 4 Ca 0.39 -1.53 -0.12 0.00 -1.71 0.00 0.00 55.69 52.72 2kqn s MET 4 Cb -0.24 -3.65 -0.01 0.00 2.01 0.00 0.00 34.83 32.94 2kqn s MET 4 CO 0.29 -0.94 0.23 0.99 -0.01 0.00 0.00 175.02 175.58 2kqn s THR 5 N 1.33 5.12 -0.11 2.05 2.01 0.67 -4.27 115.64 122.44 2kqn s THR 5 Ca 0.03 -0.31 -0.01 0.00 0.31 0.00 0.00 61.69 61.71 2kqn s THR 5 Cb -0.23 -3.65 -0.02 0.00 0.01 0.00 0.00 72.50 68.61 2kqn s THR 5 CO 0.00 -0.03 -0.08 -1.58 -0.69 0.00 0.00 174.62 172.25 2kqn s GLN 6 N 1.69 3.23 0.05 4.92 0.74 -1.26 0.50 119.66 129.53 2kqn s GLN 6 Ca 0.06 -0.58 0.04 0.00 0.05 0.00 0.00 55.36 54.92 2kqn s GLN 6 Cb -0.18 -2.70 -0.02 0.00 1.10 0.00 0.00 33.01 31.21 2kqn s GLN 6 CO 0.10 0.39 -0.12 -1.12 -0.55 0.00 0.00 175.29 173.99 2kqn s SER 7 N -0.08 1.41 1.00 6.67 0.01 0.11 -4.37 113.70 118.45 2kqn s SER 7 Ca 0.00 -0.50 -0.10 0.00 1.31 0.00 0.00 55.95 56.66 2kqn s SER 7 Cb -0.13 -0.05 0.13 0.00 0.21 0.00 0.00 66.02 66.18 2kqn s SER 7 CO 0.03 -0.05 0.78 -2.65 0.41 0.00 0.00 173.24 171.76 2kqn n PRO 8 N 1.68 -0.79 0.02 12.44 -0.02 -1.26 -0.36 135.00 146.71 2kqn n PRO 8 Ca -0.20 -1.21 -0.06 0.00 -2.02 0.00 0.00 63.50 60.01 2kqn n PRO 8 Cb 0.55 -0.81 0.12 0.00 -0.02 0.00 0.00 33.50 33.34 2kqn n PRO 8 CO 0.00 0.00 0.00 0.77 1.98 0.00 0.00 175.50 178.25 2kqn h SER 9 N -1.05 0.51 -3.35 2.55 0.02 -1.80 -3.35 113.55 107.09 2kqn h SER 9 Ca -0.25 -0.24 0.04 0.00 -0.84 0.00 0.00 61.79 60.50 2kqn h SER 9 Cb 0.70 -0.14 -0.25 0.00 0.14 0.00 0.00 62.40 62.85 2kqn h SER 9 CO 0.18 0.89 0.37 -0.94 -1.14 0.00 0.00 176.83 176.18 2kqn s SER 10 N -6.87 -0.53 -0.02 3.07 1.04 -1.26 -1.47 113.70 107.66 2kqn s SER 10 Ca -0.07 1.01 -0.03 0.00 0.48 0.00 0.00 55.95 57.35 2kqn s SER 10 Cb 0.12 1.04 0.00 0.00 0.10 0.00 0.00 66.02 67.28 2kqn s SER 10 CO 0.81 -0.17 0.06 -1.48 0.98 0.00 0.00 173.24 173.44 2kqn s LEU 11 N 0.34 1.79 -0.04 2.42 2.34 -0.55 -4.93 118.68 120.04 2kqn s LEU 11 Ca 0.02 -0.00 0.04 0.00 0.06 0.00 0.00 54.13 54.24 2kqn s LEU 11 Cb -0.05 0.27 -0.03 0.00 -0.56 0.00 0.00 46.19 45.83 2kqn s LEU 11 CO -0.05 -0.11 -0.13 -0.44 -1.06 0.00 0.00 176.35 174.55 2kqn s SER 12 N -0.38 4.10 -0.03 1.48 0.01 -1.26 -1.51 113.70 116.11 2kqn s SER 12 Ca -0.04 -0.19 -0.02 0.00 1.31 0.00 0.00 55.95 57.00 2kqn s SER 12 Cb -0.03 -0.88 0.01 0.00 0.21 0.00 0.00 66.02 65.34 2kqn s SER 12 CO 0.00 0.34 0.08 0.00 0.41 0.00 0.00 173.24 174.07 2kqn s ALA 13 N -0.76 -0.17 0.45 1.44 0.00 0.16 -4.65 121.76 118.23 2kqn s ALA 13 Ca 0.12 0.29 -0.04 0.00 0.00 0.00 0.00 51.96 52.34 2kqn s ALA 13 Cb -0.11 -0.19 -0.03 0.00 0.00 0.00 0.00 23.12 22.80 2kqn s ALA 13 CO 0.01 -0.06 0.73 0.45 0.00 0.00 0.00 175.76 176.89 2kqn s SER 14 N 0.32 6.20 -0.31 0.00 0.15 -1.26 -2.46 113.70 116.33 2kqn s SER 14 Ca -0.02 0.76 -0.41 0.00 0.70 0.00 0.00 55.95 56.97 2kqn s SER 14 Cb -0.03 -2.11 -0.16 0.00 -1.71 0.00 0.00 66.02 62.00 2kqn s SER 14 CO -0.01 -0.55 1.74 0.52 1.20 0.00 0.00 173.24 176.14 2kqn n VAL 15 N -2.16 0.27 0.00 4.45 0.31 -1.26 -0.18 118.33 119.76 2kqn n VAL 15 Ca -0.00 -0.05 0.00 0.00 -0.01 0.00 0.00 64.34 64.28 2kqn n VAL 15 Cb 0.56 -1.14 0.00 0.00 -0.91 0.00 0.00 33.84 32.35 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 4.23 0.57 3.89 2.92 0.00 0.11 -4.90 105.19 112.02 2kqn n GLY 16 Ca 0.27 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 46.01 2kqn n GLY 16 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 2kqn s ASP 17 N -1.88 6.40 -0.14 1.61 2.15 0.75 -4.57 116.67 121.00 2kqn s ASP 17 Ca 0.00 1.01 -0.08 0.00 0.43 0.00 0.00 52.55 53.92 2kqn s ASP 17 Cb 0.00 -2.28 -0.04 0.00 -0.30 0.00 0.00 42.92 40.30 2kqn s ASP 17 CO 0.00 -0.46 0.13 -0.60 -0.17 0.00 0.00 175.17 174.07 2kqn s ARG 18 N -4.21 3.60 -0.04 4.34 3.52 -1.26 -1.18 118.95 123.72 2kqn s ARG 18 Ca 0.49 -0.16 0.07 0.00 -0.13 0.00 0.00 55.73 56.00 2kqn s ARG 18 Cb -0.10 -3.23 -0.02 0.00 -1.56 0.00 0.00 34.95 30.04 2kqn s ARG 18 CO 0.37 0.66 -0.24 0.08 -0.81 0.00 0.00 175.30 175.36 2kqn s VAL 19 N -0.70 2.17 -0.09 7.11 1.01 0.60 -4.95 120.40 125.54 2kqn s VAL 19 Ca 0.13 -1.05 -0.01 0.00 0.00 0.00 0.00 61.98 61.06 2kqn s VAL 19 Cb -0.12 -1.77 0.03 0.00 0.00 0.00 0.00 36.38 34.52 2kqn s VAL 19 CO 0.03 0.58 -0.04 -0.89 0.00 0.00 0.00 175.10 174.77 2kqn s THR 20 N -0.46 0.75 0.07 3.92 2.01 -1.26 -0.13 115.64 120.54 2kqn s THR 20 Ca 0.05 -0.11 0.08 0.00 0.31 0.00 0.00 61.69 62.02 2kqn s THR 20 Cb -0.11 -0.82 -0.04 0.00 0.01 0.00 0.00 72.50 71.54 2kqn s THR 20 CO 0.01 0.32 -0.19 -0.63 -0.69 0.00 0.00 174.62 173.44 2kqn s ILE 21 N 1.81 2.72 -0.08 1.82 1.01 0.16 -4.73 121.20 123.91 2kqn s ILE 21 Ca 0.05 -1.35 0.02 0.00 0.00 0.00 0.00 60.65 59.37 2kqn s ILE 21 Cb -0.12 -2.18 0.01 0.00 0.01 0.00 0.00 42.46 40.18 2kqn s ILE 21 CO -0.07 0.24 -0.15 -0.89 0.00 0.00 0.00 174.94 174.07 2kqn s THR 22 N -1.00 1.38 -0.07 2.92 2.01 0.52 -0.09 115.64 121.31 2kqn s THR 22 Ca 0.15 -0.61 0.05 0.00 0.31 0.00 0.00 61.69 61.59 2kqn s THR 22 Cb -0.10 -1.24 -0.01 0.00 0.01 0.00 0.00 72.50 71.15 2kqn s THR 22 CO 0.07 0.41 -0.21 0.00 -0.69 0.00 0.00 174.62 174.19 2kqn s GLN 24 N -0.15 2.54 0.29 0.00 -0.21 0.18 -0.55 119.66 121.77 2kqn s GLN 24 Ca -0.03 -0.70 -0.08 0.00 0.02 0.00 0.00 55.36 54.57 2kqn s GLN 24 Cb -0.14 -1.99 -0.06 0.00 1.00 0.00 0.00 33.01 31.82 2kqn s GLN 24 CO 0.04 0.09 0.60 0.00 -2.12 0.00 0.00 175.29 173.90 2kqn s ALA 25 N 0.54 3.54 0.11 6.09 0.00 -0.24 -0.24 121.76 131.56 2kqn s ALA 25 Ca -0.16 -0.37 -0.13 0.00 0.00 0.00 0.00 51.96 51.31 2kqn s ALA 25 Cb -0.17 -2.44 -0.11 0.00 0.00 0.00 0.00 23.12 20.40 2kqn s ALA 25 CO 0.06 0.28 1.37 1.03 0.00 0.00 0.00 175.76 178.50 2kqn h SER 26 N 1.90 0.92 -4.22 0.00 0.87 -1.38 -3.45 113.55 108.19 2kqn h SER 26 Ca -0.47 -0.56 -0.55 0.00 -1.23 0.00 0.00 61.79 58.99 2kqn h SER 26 Cb 1.18 -0.27 -0.22 0.00 -0.44 0.00 0.00 62.40 62.65 2kqn h SER 26 CO 0.67 1.31 -0.82 -1.58 -0.53 0.00 0.00 176.83 175.87 2kqn s GLN 27 N -4.04 1.13 0.07 2.24 0.74 -1.26 -4.96 119.66 113.57 2kqn s GLN 27 Ca -0.11 -1.10 -0.31 0.00 0.05 0.00 0.00 55.36 53.89 2kqn s GLN 27 Cb 0.09 -1.34 -0.07 0.00 1.10 0.00 0.00 33.01 32.79 2kqn s GLN 27 CO 0.88 0.32 1.31 -0.51 -0.55 0.00 0.00 175.29 176.74 2kqn s ASP 28 N -1.78 6.93 -0.31 6.67 1.01 -1.26 -4.71 116.67 123.23 2kqn s ASP 28 Ca 0.06 2.16 0.09 0.00 0.71 0.00 0.00 52.55 55.57 2kqn s ASP 28 Cb -0.10 -2.58 0.58 0.00 1.01 0.00 0.00 42.92 41.84 2kqn s ASP 28 CO 0.04 -0.59 1.61 2.30 0.21 0.00 0.00 175.17 178.73 2kqn n ILE 29 N 4.07 2.70 0.00 0.77 -5.35 -0.74 -4.97 119.36 115.84 2kqn n ILE 29 Ca 0.11 -2.25 0.00 0.00 -0.27 0.00 0.00 62.75 60.34 2kqn n ILE 29 Cb 0.44 -0.35 0.00 0.00 -1.74 0.00 0.00 39.64 38.00 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 -0.86 0.00 0.00 7.28 2.85 -1.26 -1.49 115.26 121.78 2kqn n ASN 30 Ca 0.38 0.00 0.00 0.00 -0.11 0.00 0.00 54.58 54.85 2kqn n ASN 30 Cb 1.20 0.00 0.00 0.00 1.24 0.00 0.00 39.78 42.22 2kqn n ASN 30 CO 0.00 0.00 0.00 -3.20 -2.11 0.00 0.00 177.26 171.95 2kqn n ASN 31 N 1.47 0.00 -4.53 1.20 5.15 -1.26 -0.57 115.26 116.72 2kqn n ASN 31 Ca 0.00 -0.94 -0.43 0.00 -0.60 0.00 0.00 54.58 52.61 2kqn n ASN 31 Cb 0.00 0.00 -0.00 0.00 -0.53 0.00 0.00 39.78 39.25 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 3.05 -0.02 1.20 2.02 -0.56 -3.23 117.35 119.82 2kqn s TYR 32 Ca 0.00 -1.73 0.03 0.00 -0.37 0.00 0.00 57.07 55.01 2kqn s TYR 32 Cb 0.00 -4.56 -0.01 0.00 -0.40 0.00 0.00 41.96 37.00 2kqn s TYR 32 CO 0.00 -1.65 -0.12 -1.17 -1.57 0.00 0.00 175.55 171.04 2kqn s LEU 33 N 3.21 1.95 0.02 -1.29 1.98 -1.26 -2.87 118.68 120.41 2kqn s LEU 33 Ca 0.48 -0.23 0.08 0.00 -2.89 0.00 0.00 54.13 51.57 2kqn s LEU 33 Cb 0.00 -0.65 -0.02 0.00 0.66 0.00 0.00 46.19 46.18 2kqn s LEU 33 CO 0.02 0.13 -0.25 -0.63 -1.89 0.00 0.00 176.35 173.73 2kqn s ILE 34 N -0.13 1.97 -0.10 6.68 1.01 0.68 -0.91 121.20 130.39 2kqn s ILE 34 Ca 0.02 -1.23 0.01 0.00 0.00 0.00 0.00 60.65 59.45 2kqn s ILE 34 Cb -0.06 -1.67 -0.02 0.00 0.01 0.00 0.00 42.46 40.71 2kqn s ILE 34 CO 0.00 0.39 -0.13 0.26 0.00 0.00 0.00 174.94 175.46 2kqn s TRP 35 N -0.72 2.79 0.27 3.97 0.52 0.20 -0.37 118.94 125.59 2kqn s TRP 35 Ca 0.10 -0.47 0.07 0.00 0.02 0.00 0.00 56.10 55.83 2kqn s TRP 35 Cb -0.10 -1.78 -0.06 0.00 -1.15 0.00 0.00 33.47 30.39 2kqn s TRP 35 CO 0.01 -0.07 -0.09 0.71 0.02 0.00 0.00 176.95 177.53 2kqn s TYR 36 N -0.02 1.95 -0.16 -1.98 1.51 0.03 -0.10 117.35 118.59 2kqn s TYR 36 Ca -0.03 -0.64 0.01 0.00 -1.01 0.00 0.00 57.07 55.39 2kqn s TYR 36 Cb -0.14 -1.06 0.02 0.00 -0.11 0.00 0.00 41.96 40.67 2kqn s TYR 36 CO 0.04 0.34 -0.16 1.14 -1.11 0.00 0.00 175.55 175.80 2kqn s GLN 37 N -3.69 2.49 -0.42 -0.62 -2.07 -0.32 -2.46 119.66 112.57 2kqn s GLN 37 Ca 0.28 -0.63 -0.14 0.00 -1.82 0.00 0.00 55.36 53.05 2kqn s GLN 37 Cb 0.02 -2.23 0.04 0.00 -1.09 0.00 0.00 33.01 29.76 2kqn s GLN 37 CO 0.11 -0.22 0.30 -1.14 -1.32 0.00 0.00 175.29 173.02 2kqn s GLN 38 N 1.41 2.90 -0.18 9.60 2.00 0.15 -1.77 119.66 133.77 2kqn s GLN 38 Ca 0.04 -1.17 -0.10 0.00 -2.00 0.00 0.00 55.36 52.13 2kqn s GLN 38 Cb -0.13 -3.94 -0.05 0.00 0.80 0.00 0.00 33.01 29.69 2kqn s GLN 38 CO -0.11 -0.84 0.15 0.15 -0.50 0.00 0.00 175.29 174.14 2kqn s LYS 39 N 1.61 4.05 -0.13 1.67 1.02 -1.26 -0.85 119.74 125.86 2kqn s LYS 39 Ca 0.04 -0.17 -0.29 0.00 0.02 0.00 0.00 55.97 55.57 2kqn s LYS 39 Cb -0.21 -3.37 -0.06 0.00 -0.52 0.00 0.00 37.83 33.67 2kqn s LYS 39 CO 0.07 0.39 1.92 -2.14 -0.92 0.00 0.00 175.35 174.68 2kqn s PRO 40 N 0.09 3.71 0.00 -1.68 0.02 -1.26 -2.30 135.00 133.58 2kqn s PRO 40 Ca 0.10 2.11 0.00 0.00 0.02 0.00 0.00 61.00 63.23 2kqn s PRO 40 Cb -0.11 -4.18 0.00 0.00 0.02 0.00 0.00 34.50 30.22 2kqn s PRO 40 CO -0.00 -1.43 0.00 0.41 -0.33 0.00 0.00 177.00 175.65 2kqn n GLY 41 N 4.95 1.74 3.36 0.52 0.00 -1.26 -5.09 105.19 109.42 2kqn n GLY 41 Ca 0.23 0.00 -0.18 0.00 0.00 0.00 0.00 46.02 46.06 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 1.44 0.69 1.61 -2.07 -0.97 -5.14 119.66 115.21 2kqn s GLN 42 Ca 0.00 -1.75 -0.12 0.00 -1.82 0.00 0.00 55.36 51.66 2kqn s GLN 42 Cb 0.00 -0.67 0.01 0.00 -1.09 0.00 0.00 33.01 31.26 2kqn s GLN 42 CO 0.00 -0.14 1.07 0.00 -1.32 0.00 0.00 175.29 174.91 2kqn s ALA 43 N -3.41 2.56 0.23 2.60 0.00 -1.26 -4.53 121.76 117.96 2kqn s ALA 43 Ca 0.32 0.25 -0.30 0.00 0.00 0.00 0.00 51.96 52.22 2kqn s ALA 43 Cb 0.07 -3.23 -0.09 0.00 0.00 0.00 0.00 23.12 19.87 2kqn s ALA 43 CO 0.11 -1.28 1.30 -1.25 0.00 0.00 0.00 175.76 174.65 2kqn s PRO 44 N -4.70 4.39 -0.18 0.00 0.04 -1.26 -4.65 135.00 128.64 2kqn s PRO 44 Ca 0.61 2.08 -0.12 0.00 0.04 0.00 0.00 61.00 63.62 2kqn s PRO 44 Cb -0.16 -3.17 -0.05 0.00 0.04 0.00 0.00 34.50 31.17 2kqn s PRO 44 CO 0.50 -0.22 0.20 0.21 0.04 0.00 0.00 177.00 177.73 2kqn s LYS 45 N -0.50 4.19 0.02 4.56 2.20 -0.73 -4.85 119.74 124.63 2kqn s LYS 45 Ca 0.55 -0.07 -0.30 0.00 -0.36 0.00 0.00 55.97 55.78 2kqn s LYS 45 Cb -0.37 -3.41 -0.07 0.00 -1.51 0.00 0.00 37.83 32.47 2kqn s LYS 45 CO 0.41 0.30 1.64 -1.17 -0.36 0.00 0.00 175.35 176.17 2kqn s LEU 46 N 0.33 4.35 -0.12 5.43 0.20 -1.26 -1.17 118.68 126.45 2kqn s LEU 46 Ca 0.12 2.38 -0.06 0.00 0.69 0.00 0.00 54.13 57.26 2kqn s LEU 46 Cb -0.12 -3.55 -0.05 0.00 -0.43 0.00 0.00 46.19 42.04 2kqn s LEU 46 CO 0.01 -0.89 -0.15 -0.11 -0.29 0.00 0.00 176.35 174.92 2kqn n LEU 47 N 6.14 0.98 -4.06 -0.68 7.94 0.86 -4.87 117.00 123.31 2kqn n LEU 47 Ca 0.16 0.13 -0.18 0.00 -1.11 0.00 0.00 56.01 55.02 2kqn n LEU 47 Cb 0.42 -0.35 -0.13 0.00 0.53 0.00 0.00 43.42 43.88 2kqn n LEU 47 CO 0.62 0.28 -0.43 -0.63 -1.11 0.00 0.00 177.39 176.12 2kqn s ILE 48 N -2.22 0.78 0.17 1.96 1.01 -0.93 -2.61 121.20 119.36 2kqn s ILE 48 Ca -0.17 -0.73 0.00 0.00 0.00 0.00 0.00 60.65 59.76 2kqn s ILE 48 Cb 0.06 -0.71 -0.04 0.00 0.01 0.00 0.00 42.46 41.78 2kqn s ILE 48 CO 0.21 -0.00 0.05 -0.72 0.00 0.00 0.00 174.94 174.48 2kqn s TYR 49 N -0.67 1.12 -1.83 3.97 -0.85 0.25 0.59 117.35 119.92 2kqn s TYR 49 Ca -0.00 -1.16 0.00 0.00 -0.52 0.00 0.00 57.07 55.39 2kqn s TYR 49 Cb -0.06 -0.63 0.00 0.00 0.38 0.00 0.00 41.96 41.65 2kqn s TYR 49 CO 0.00 -0.39 0.00 -3.47 -1.52 0.00 0.00 175.55 170.18 2kqn n ASP 50 N -0.22 -5.47 -0.66 -0.18 2.03 -0.09 -1.08 116.55 110.88 2kqn n ASP 50 Ca -0.04 0.20 -0.08 0.00 0.52 0.00 0.00 54.79 55.38 2kqn n ASP 50 Cb 0.64 -4.58 -0.04 0.00 -0.72 0.00 0.00 41.12 36.43 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 -0.49 -0.13 0.00 -1.67 0.00 -0.57 -4.34 120.51 113.31 2kqn n ALA 51 Ca -0.21 0.13 0.00 0.00 0.00 0.00 0.00 53.44 53.36 2kqn n ALA 51 Cb 0.66 -1.65 0.00 0.00 0.00 0.00 0.00 19.45 18.46 2kqn n ALA 51 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 2kqn n SER 52 N -0.99 0.00 -4.71 0.00 2.88 -0.99 -2.30 113.62 107.51 2kqn n SER 52 Ca -0.08 0.00 -0.42 0.00 -1.33 0.00 0.00 58.87 57.04 2kqn n SER 52 Cb 0.55 0.27 -0.03 0.00 -0.75 0.00 0.00 64.21 64.25 2kqn n SER 52 CO 0.00 0.00 0.00 -0.89 -1.23 0.00 0.00 175.04 172.92 2kqn s THR 53 N -1.58 4.72 0.10 2.46 2.01 -0.24 -4.02 115.64 119.09 2kqn s THR 53 Ca 0.00 1.98 -0.28 0.00 0.31 0.00 0.00 61.69 63.69 2kqn s THR 53 Cb 0.00 -4.27 -0.06 0.00 0.01 0.00 0.00 72.50 68.18 2kqn s THR 53 CO 0.00 0.17 0.89 -0.76 -0.69 0.00 0.00 174.62 174.23 2kqn s LEU 54 N 0.92 4.50 0.52 4.42 1.43 -1.26 -0.59 118.68 128.62 2kqn s LEU 54 Ca 0.52 1.69 -0.20 0.00 -1.03 0.00 0.00 54.13 55.12 2kqn s LEU 54 Cb -0.22 -3.47 -0.07 0.00 0.03 0.00 0.00 46.19 42.46 2kqn s LEU 54 CO 0.28 -0.02 1.09 -0.70 0.23 0.00 0.00 176.35 177.24 2kqn s GLU 55 N -0.14 3.53 -0.00 1.70 2.56 -1.07 -4.93 118.70 120.35 2kqn s GLU 55 Ca 0.44 1.52 -0.31 0.00 0.00 0.00 0.00 54.97 56.61 2kqn s GLU 55 Cb -0.23 -2.04 -0.09 0.00 2.00 0.00 0.00 34.13 33.77 2kqn s GLU 55 CO 0.28 -0.69 1.97 2.41 -0.56 0.00 0.00 175.26 178.67 2kqn n THR 56 N -1.17 0.71 0.00 -1.70 -1.04 -1.26 -1.12 114.28 108.70 2kqn n THR 56 Ca 0.11 -0.15 0.00 0.00 -2.04 0.00 0.00 64.05 61.97 2kqn n THR 56 Cb 0.52 -2.23 0.00 0.00 -1.82 0.00 0.00 70.33 66.79 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 4.59 2.39 3.68 3.41 0.00 -1.26 -5.08 105.19 112.92 2kqn n GLY 57 Ca 0.21 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.81 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 -2.29 4.33 0.64 1.61 1.01 -0.28 -5.01 120.40 120.42 2kqn s VAL 58 Ca 0.00 1.65 -0.18 0.00 0.00 0.00 0.00 61.98 63.45 2kqn s VAL 58 Cb 0.00 -4.06 -0.01 0.00 0.00 0.00 0.00 36.38 32.31 2kqn s VAL 58 CO 0.00 -0.01 1.26 -2.65 0.00 0.00 0.00 175.10 173.70 2kqn n PRO 59 N 5.30 1.10 0.00 2.72 -0.02 -1.26 -4.89 135.00 137.95 2kqn n PRO 59 Ca 0.11 0.43 0.05 0.00 -2.02 0.00 0.00 63.50 62.07 2kqn n PRO 59 Cb 0.46 -2.50 0.24 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 -1.79 0.00 0.20 2.55 7.64 -1.26 -2.33 113.62 118.64 2kqn n SER 60 Ca 0.16 0.28 0.04 0.00 1.01 0.00 0.00 58.87 60.35 2kqn n SER 60 Cb 0.48 -0.37 0.43 0.00 -1.01 0.00 0.00 64.21 63.74 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 -6.30 1.43 3.08 -1.91 -3.43 114.38 107.26 2kqn h ARG 61 Ca 0.00 0.00 -0.56 0.00 0.07 0.00 0.00 59.98 59.49 2kqn h ARG 61 Cb 0.13 0.00 -0.04 0.00 0.08 0.00 0.00 29.97 30.14 2kqn h ARG 61 CO 0.00 0.28 -0.11 -0.06 -1.07 0.00 0.00 179.97 179.01 2kqn s PHE 62 N -4.39 3.60 -0.17 3.04 0.08 -0.98 0.57 117.98 119.73 2kqn s PHE 62 Ca -0.03 1.02 -0.17 0.00 0.12 0.00 0.00 56.93 57.87 2kqn s PHE 62 Cb 0.15 -2.34 0.05 0.00 -0.57 0.00 0.00 43.02 40.31 2kqn s PHE 62 CO 0.71 0.44 0.47 -1.12 -0.10 0.00 0.00 175.22 175.62 2kqn s SER 63 N -1.74 -0.48 0.01 1.36 0.01 0.01 -4.95 113.70 107.91 2kqn s SER 63 Ca 0.37 0.91 0.06 0.00 1.31 0.00 0.00 55.95 58.60 2kqn s SER 63 Cb -0.15 0.93 -0.02 0.00 0.21 0.00 0.00 66.02 66.99 2kqn s SER 63 CO 0.19 -0.19 -0.17 -0.83 0.41 0.00 0.00 173.24 172.65 2kqn s GLY 64 N 0.14 0.87 -0.11 3.44 0.00 -1.26 -0.19 107.32 110.23 2kqn s GLY 64 Ca -0.01 -0.81 -0.05 0.00 0.00 0.00 0.00 44.72 43.85 2kqn s GLY 64 CO 0.01 -0.71 0.24 -0.56 0.00 0.00 0.00 173.10 172.08 2kqn s SER 65 N -0.69 -0.07 0.00 1.64 0.01 0.40 -3.82 113.70 111.17 2kqn s SER 65 Ca 0.06 0.52 0.00 0.00 1.31 0.00 0.00 55.95 57.84 2kqn s SER 65 Cb -0.07 0.46 0.00 0.00 0.21 0.00 0.00 66.02 66.62 2kqn s SER 65 CO 0.00 -0.19 0.00 0.61 0.41 0.00 0.00 173.24 174.08 2kqn n GLY 66 N 4.54 -1.43 3.64 3.44 0.00 -0.98 0.08 105.19 114.48 2kqn n GLY 66 Ca -0.20 -1.04 -0.03 0.00 0.00 0.00 0.00 46.02 44.75 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 -0.91 -0.46 0.00 1.61 1.04 0.20 -4.83 113.70 110.35 2kqn s SER 67 Ca 0.00 0.76 0.00 0.00 0.48 0.00 0.00 55.95 57.19 2kqn s SER 67 Cb 0.00 1.11 0.00 0.00 0.10 0.00 0.00 66.02 67.23 2kqn s SER 67 CO 0.00 -0.12 0.00 0.61 0.98 0.00 0.00 173.24 174.71 2kqn n GLY 68 N 3.37 1.33 0.00 7.32 0.00 0.26 -2.96 105.19 114.51 2kqn n GLY 68 Ca -0.17 0.15 0.00 0.00 0.00 0.00 0.00 46.02 46.00 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 -3.44 2.61 -2.24 -1.26 -1.80 114.28 108.15 2kqn n THR 69 Ca 0.00 0.00 -0.37 0.00 -2.27 0.00 0.00 64.05 61.41 2kqn n THR 69 Cb 0.00 -0.56 -0.07 0.00 -2.10 0.00 0.00 70.33 67.60 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 -1.96 4.21 -0.05 -0.78 2.02 -1.16 -1.08 118.70 119.91 2kqn s GLU 70 Ca 0.00 0.17 0.01 0.00 0.02 0.00 0.00 54.97 55.18 2kqn s GLU 70 Cb 0.00 -3.49 0.02 0.00 0.10 0.00 0.00 34.13 30.76 2kqn s GLU 70 CO 0.00 0.07 -0.07 -0.06 0.02 0.00 0.00 175.26 175.22 2kqn s PHE 71 N 0.96 0.96 -0.13 1.61 0.08 0.29 -0.63 117.98 121.13 2kqn s PHE 71 Ca 0.18 -0.31 0.02 0.00 0.12 0.00 0.00 56.93 56.95 2kqn s PHE 71 Cb -0.14 -0.78 -0.00 0.00 -0.57 0.00 0.00 43.02 41.52 2kqn s PHE 71 CO 0.07 -0.21 -0.19 0.99 -0.10 0.00 0.00 175.22 175.77 2kqn s THR 72 N 0.82 2.42 -0.16 0.64 2.01 0.11 -0.15 115.64 121.33 2kqn s THR 72 Ca -0.13 -0.87 -0.01 0.00 0.31 0.00 0.00 61.69 60.99 2kqn s THR 72 Cb -0.15 -1.98 -0.01 0.00 0.01 0.00 0.00 72.50 70.37 2kqn s THR 72 CO 0.01 0.54 -0.12 0.12 -0.69 0.00 0.00 174.62 174.49 2kqn s PHE 73 N 0.55 2.84 -0.04 4.92 5.36 0.87 -0.45 117.98 132.03 2kqn s PHE 73 Ca -0.12 -0.88 0.03 0.00 -0.96 0.00 0.00 56.93 55.00 2kqn s PHE 73 Cb -0.16 -1.93 0.01 0.00 -0.34 0.00 0.00 43.02 40.60 2kqn s PHE 73 CO 0.04 -0.40 -0.11 0.99 -1.46 0.00 0.00 175.22 174.28 2kqn s THR 74 N 0.81 1.02 -0.33 0.12 2.01 0.74 0.38 115.64 120.38 2kqn s THR 74 Ca -0.04 -0.46 -0.09 0.00 0.31 0.00 0.00 61.69 61.41 2kqn s THR 74 Cb -0.15 -0.91 0.01 0.00 0.01 0.00 0.00 72.50 71.46 2kqn s THR 74 CO 0.01 0.32 0.15 -0.63 -0.69 0.00 0.00 174.62 173.77 2kqn s ILE 75 N 0.36 4.38 0.32 1.82 1.01 0.82 -0.81 121.20 129.09 2kqn s ILE 75 Ca -0.08 -0.66 0.11 0.00 0.00 0.00 0.00 60.65 60.03 2kqn s ILE 75 Cb -0.12 -3.31 0.03 0.00 0.01 0.00 0.00 42.46 39.06 2kqn s ILE 75 CO 0.02 -0.03 1.71 0.28 0.00 0.00 0.00 174.94 176.92 2kqn h SER 76 N 8.33 0.00 -2.11 3.58 0.02 -0.14 0.17 113.55 123.40 2kqn h SER 76 Ca -0.30 0.00 -0.17 0.00 -0.84 0.00 0.00 61.79 60.49 2kqn h SER 76 Cb 1.13 0.00 -0.30 0.00 0.14 0.00 0.00 62.40 63.36 2kqn h SER 76 CO 0.63 0.51 -0.49 -0.44 -1.14 0.00 0.00 176.83 175.90 2kqn s SER 77 N -6.89 0.32 0.07 3.07 0.01 -1.26 -4.38 113.70 104.64 2kqn s SER 77 Ca -0.02 0.30 -0.31 0.00 1.31 0.00 0.00 55.95 57.23 2kqn s SER 77 Cb 0.13 1.03 -0.07 0.00 0.21 0.00 0.00 66.02 67.33 2kqn s SER 77 CO 0.75 -0.29 1.39 -0.22 0.41 0.00 0.00 173.24 175.28 2kqn s LEU 78 N 2.52 4.35 0.20 2.44 1.98 -0.32 -4.77 118.68 125.07 2kqn s LEU 78 Ca 0.09 2.24 0.11 0.00 -2.89 0.00 0.00 54.13 53.68 2kqn s LEU 78 Cb -0.15 -3.58 -0.04 0.00 0.66 0.00 0.00 46.19 43.08 2kqn s LEU 78 CO -0.14 -0.68 -0.19 -1.10 -1.89 0.00 0.00 176.35 172.35 2kqn s GLN 79 N 1.65 1.71 0.53 1.98 -1.52 -1.26 0.07 119.66 122.82 2kqn s GLN 79 Ca 0.64 -1.46 0.27 0.00 -1.95 0.00 0.00 55.36 52.86 2kqn s GLN 79 Cb -0.34 -1.94 1.42 0.00 -0.22 0.00 0.00 33.01 31.92 2kqn s GLN 79 CO 0.29 0.40 1.97 -1.35 -0.25 0.00 0.00 175.29 176.35 2kqn h PRO 80 N 3.03 0.00 0.00 2.91 0.11 -1.97 0.21 132.00 136.29 2kqn h PRO 80 Ca -0.46 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.65 2kqn h PRO 80 Cb 1.21 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.32 2kqn h PRO 80 CO 0.51 0.00 0.00 0.39 -0.21 0.00 0.00 178.00 178.69 2kqn n GLU 81 N -4.34 0.03 -0.25 1.05 1.02 -1.26 -3.24 120.64 113.65 2kqn n GLU 81 Ca 0.12 0.09 0.11 0.00 -0.02 0.00 0.00 57.16 57.46 2kqn n GLU 81 Cb 0.70 -1.54 0.27 0.00 -0.02 0.00 0.00 31.44 30.84 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 -1.60 3.22 -4.67 1.62 8.00 0.75 -4.89 116.55 118.98 2kqn n ASP 82 Ca 0.06 -1.97 -0.43 0.00 0.71 0.00 0.00 54.79 53.17 2kqn n ASP 82 Cb 0.31 -0.32 -0.02 0.00 -0.02 0.00 0.00 41.12 41.06 2kqn n ASP 82 CO 0.00 0.00 0.00 -0.22 -0.39 0.00 0.00 177.20 176.59 2kqn s LEU 83 N -1.24 4.20 0.02 0.64 2.96 -1.20 -4.93 118.68 119.12 2kqn s LEU 83 Ca 0.40 1.61 -0.27 0.00 -0.22 0.00 0.00 54.13 55.65 2kqn s LEU 83 Cb 0.22 -3.55 0.09 0.00 0.50 0.00 0.00 46.19 43.45 2kqn s LEU 83 CO 0.30 -0.63 1.25 0.00 -1.32 0.00 0.00 176.35 175.94 2kqn s ALA 84 N 2.82 -2.33 -0.06 5.97 0.00 -1.26 -4.88 121.76 122.01 2kqn s ALA 84 Ca 0.51 -0.05 -0.13 0.00 0.00 0.00 0.00 51.96 52.29 2kqn s ALA 84 Cb -0.20 0.89 -0.05 0.00 0.00 0.00 0.00 23.12 23.76 2kqn s ALA 84 CO 0.15 -1.14 0.33 0.99 0.00 0.00 0.00 175.76 176.09 2kqn s THR 85 N -2.03 5.19 0.07 0.00 2.01 -0.03 -2.84 115.64 118.00 2kqn s THR 85 Ca 0.29 0.65 0.07 0.00 0.31 0.00 0.00 61.69 63.01 2kqn s THR 85 Cb -0.01 -3.63 -0.04 0.00 0.01 0.00 0.00 72.50 68.83 2kqn s THR 85 CO 0.00 0.55 -0.16 -0.31 -0.69 0.00 0.00 174.62 174.02 2kqn s TYR 86 N -0.77 2.61 0.25 4.92 1.51 -1.08 0.30 117.35 125.09 2kqn s TYR 86 Ca 0.21 -0.22 -0.15 0.00 -1.01 0.00 0.00 57.07 55.89 2kqn s TYR 86 Cb -0.15 -1.44 0.01 0.00 -0.11 0.00 0.00 41.96 40.26 2kqn s TYR 86 CO 0.10 0.32 0.54 1.52 -1.11 0.00 0.00 175.55 176.92 2kqn s TYR 87 N -1.03 0.16 0.01 2.71 -0.85 -1.03 -4.23 117.35 113.10 2kqn s TYR 87 Ca 0.17 -0.55 0.05 0.00 -0.52 0.00 0.00 57.07 56.22 2kqn s TYR 87 Cb -0.11 0.34 -0.02 0.00 0.38 0.00 0.00 41.96 42.56 2kqn s TYR 87 CO 0.08 -1.04 -0.16 0.00 -1.52 0.00 0.00 175.55 172.91 2kqn s GLN 89 N -0.71 0.08 -0.12 0.00 1.03 0.50 -0.36 119.66 120.08 2kqn s GLN 89 Ca 0.05 -0.03 -0.06 0.00 0.04 0.00 0.00 55.36 55.37 2kqn s GLN 89 Cb -0.07 -0.10 -0.04 0.00 0.03 0.00 0.00 33.01 32.84 2kqn s GLN 89 CO 0.00 0.01 0.09 1.14 -2.54 0.00 0.00 175.29 173.99 2kqn s GLN 90 N 0.04 3.41 -0.15 9.60 1.03 -1.25 -0.23 119.66 132.10 2kqn s GLN 90 Ca -0.00 -0.25 0.18 0.00 0.04 0.00 0.00 55.36 55.32 2kqn s GLN 90 Cb -0.01 -3.08 0.36 0.00 0.03 0.00 0.00 33.01 30.31 2kqn s GLN 90 CO -0.00 0.66 1.23 2.48 -2.54 0.00 0.00 175.29 177.12 2kqn n TYR 91 N 2.32 0.25 0.05 9.60 4.11 -1.14 -4.54 117.16 127.82 2kqn n TYR 91 Ca -0.19 -1.02 -0.13 0.00 -0.00 0.00 0.00 57.90 56.56 2kqn n TYR 91 Cb 0.54 -0.20 -0.14 0.00 -0.00 0.00 0.00 39.34 39.54 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 0.51 0.23 -3.51 9.48 3.58 -1.88 -3.47 116.42 121.36 2kqn h ASP 92 Ca 0.01 -0.30 -0.16 0.00 0.42 0.00 0.00 57.03 56.99 2kqn h ASP 92 Cb 1.12 -0.07 -0.27 0.00 1.72 0.00 0.00 39.33 41.82 2kqn h ASP 92 CO 0.06 1.25 -0.41 0.21 -2.88 0.00 0.00 179.24 177.47 2kqn s ASN 93 N -6.79 -0.32 0.30 2.28 3.84 -1.26 -5.13 114.94 107.86 2kqn s ASN 93 Ca -0.05 0.61 -0.25 0.00 0.21 0.00 0.00 52.86 53.38 2kqn s ASN 93 Cb 0.08 0.54 -0.09 0.00 -0.55 0.00 0.00 41.25 41.23 2kqn s ASN 93 CO 0.84 -0.15 0.90 -0.76 -2.79 0.00 0.00 177.10 175.14 2kqn s LEU 94 N 0.86 4.35 0.54 3.21 1.43 -1.26 -4.11 118.68 123.70 2kqn s LEU 94 Ca -0.06 1.75 -0.15 0.00 -1.03 0.00 0.00 54.13 54.64 2kqn s LEU 94 Cb -0.07 -3.91 -0.07 0.00 0.03 0.00 0.00 46.19 42.17 2kqn s LEU 94 CO -0.06 -0.04 1.00 -2.16 0.23 0.00 0.00 176.35 175.32 2kqn s PRO 95 N -2.02 3.84 0.01 1.29 0.04 -1.26 -4.87 135.00 132.04 2kqn s PRO 95 Ca 0.48 0.93 -0.19 0.00 0.04 0.00 0.00 61.00 62.26 2kqn s PRO 95 Cb -0.18 -2.12 -0.06 0.00 0.04 0.00 0.00 34.50 32.18 2kqn s PRO 95 CO 0.23 -0.36 0.55 0.71 0.04 0.00 0.00 177.00 178.18 2kqn s TYR 96 N -2.72 3.71 0.01 0.56 2.02 -1.26 -4.45 117.35 115.22 2kqn s TYR 96 Ca 0.58 1.17 0.06 0.00 -0.37 0.00 0.00 57.07 58.52 2kqn s TYR 96 Cb -0.10 -2.53 -0.02 0.00 -0.40 0.00 0.00 41.96 38.91 2kqn s TYR 96 CO 0.36 0.44 -0.20 0.95 -1.57 0.00 0.00 175.55 175.53 2kqn s THR 97 N -0.51 1.58 -0.11 -0.71 -4.23 -1.26 -5.02 115.64 105.38 2kqn s THR 97 Ca 0.29 -0.97 -0.08 0.00 -1.18 0.00 0.00 61.69 59.74 2kqn s THR 97 Cb -0.18 -1.34 -0.04 0.00 1.34 0.00 0.00 72.50 72.28 2kqn s THR 97 CO 0.17 0.34 0.18 -0.36 -0.54 0.00 0.00 174.62 174.41 2kqn s PHE 98 N -0.59 3.61 0.18 3.99 0.40 -1.26 -3.86 117.98 120.45 2kqn s PHE 98 Ca 0.07 0.58 -0.33 0.00 -0.60 0.00 0.00 56.93 56.66 2kqn s PHE 98 Cb -0.08 -2.00 -0.14 0.00 0.51 0.00 0.00 43.02 41.31 2kqn s PHE 98 CO 0.00 0.70 1.58 0.41 0.70 0.00 0.00 175.22 178.61 2kqn n GLY 99 N 2.04 1.14 0.65 4.36 0.00 0.51 -4.86 105.19 109.03 2kqn n GLY 99 Ca -0.19 0.63 0.07 0.00 0.00 0.00 0.00 46.02 46.53 2kqn n GLY 99 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 2kqn n GLN 100 N 3.30 1.61 -0.10 1.61 3.00 -1.26 -4.61 117.38 120.93 2kqn n GLN 100 Ca 0.16 -1.64 0.10 0.00 -0.01 0.00 0.00 57.00 55.61 2kqn n GLN 100 Cb 0.30 -1.29 0.14 0.00 0.00 0.00 0.00 30.24 29.39 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 0.78 1.20 2.95 1.08 0.00 -1.26 -4.94 105.19 105.00 2kqn n GLY 101 Ca 0.10 -0.60 -0.25 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 -1.46 1.02 -0.12 2.61 2.01 -1.25 -3.38 115.64 115.06 2kqn s THR 102 Ca 0.29 -0.35 0.01 0.00 0.31 0.00 0.00 61.69 61.95 2kqn s THR 102 Cb 0.18 -0.99 -0.01 0.00 0.01 0.00 0.00 72.50 71.69 2kqn s THR 102 CO 0.26 0.35 -0.15 -0.75 -0.69 0.00 0.00 174.62 173.64 2kqn s LYS 103 N 1.20 3.28 -0.18 4.92 2.47 -0.54 -2.63 119.74 128.26 2kqn s LYS 103 Ca -0.05 -0.71 -0.06 0.00 -1.56 0.00 0.00 55.97 53.59 2kqn s LYS 103 Cb -0.14 -2.57 -0.03 0.00 -1.46 0.00 0.00 37.83 33.63 2kqn s LYS 103 CO -0.02 0.24 0.03 -1.17 0.16 0.00 0.00 175.35 174.58 2kqn s LEU 104 N 0.27 3.58 0.38 5.43 2.96 -1.13 -1.48 118.68 128.69 2kqn s LEU 104 Ca -0.10 -0.02 0.06 0.00 -0.22 0.00 0.00 54.13 53.84 2kqn s LEU 104 Cb -0.16 -1.89 -0.07 0.00 0.50 0.00 0.00 46.19 44.57 2kqn s LEU 104 CO 0.06 0.16 0.03 -1.61 -1.32 0.00 0.00 176.35 173.66 2kqn s GLU 105 N 0.46 1.86 -0.19 1.98 0.41 -0.57 -4.20 118.70 118.44 2kqn s GLU 105 Ca 0.01 -2.05 -0.04 0.00 -0.41 0.00 0.00 54.97 52.48 2kqn s GLU 105 Cb -0.13 -1.36 -0.02 0.00 -1.78 0.00 0.00 34.13 30.84 2kqn s GLU 105 CO 0.01 -0.11 -0.02 0.42 -0.49 0.00 0.00 175.26 175.07 2kqn s ILE 106 N -2.92 3.77 0.61 -1.63 1.01 -1.24 0.40 121.20 121.19 2kqn s ILE 106 Ca 0.35 -0.38 -0.16 0.00 0.00 0.00 0.00 60.65 60.46 2kqn s ILE 106 Cb 0.09 -2.69 -0.03 0.00 0.01 0.00 0.00 42.46 39.84 2kqn s ILE 106 CO 0.17 0.44 1.09 -0.54 0.00 0.00 0.00 174.94 176.10 2kqn s LYS 107 N 0.95 3.13 0.00 2.79 1.02 -1.03 -4.78 119.74 121.83 2kqn s LYS 107 Ca 0.01 1.37 0.00 0.00 0.02 0.00 0.00 55.97 57.36 2kqn s LYS 107 Cb -0.14 -2.00 0.00 0.00 -0.52 0.00 0.00 37.83 35.17 2kqn s LYS 107 CO 0.01 -0.99 0.00 -2.13 -0.92 0.00 0.00 175.35 171.33