#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 4.72 -0.04 2.12 1.01 -1.26 -4.85 121.20 122.90 2kqn s ILE 2 Ca 0.00 0.04 -0.29 0.00 0.00 0.00 0.00 60.65 60.40 2kqn s ILE 2 Cb 0.00 -4.32 -0.03 0.00 0.01 0.00 0.00 42.46 38.13 2kqn s ILE 2 CO 0.00 -0.78 0.94 -1.10 0.00 0.00 0.00 174.94 174.01 2kqn s GLN 3 N 3.07 4.49 -0.47 2.79 -1.52 -1.26 -4.54 119.66 122.23 2kqn s GLN 3 Ca 0.23 1.32 -0.15 0.00 -1.95 0.00 0.00 55.36 54.81 2kqn s GLN 3 Cb -0.15 -3.49 0.08 0.00 -0.22 0.00 0.00 33.01 29.23 2kqn s GLN 3 CO 0.18 -0.12 0.39 -1.64 -0.25 0.00 0.00 175.29 173.85 2kqn s MET 4 N 1.30 2.95 -0.35 2.91 -1.94 -1.26 -0.16 119.30 122.75 2kqn s MET 4 Ca 0.48 -1.38 -0.21 0.00 -1.71 0.00 0.00 55.69 52.88 2kqn s MET 4 Cb -0.20 -4.12 0.00 0.00 2.01 0.00 0.00 34.83 32.53 2kqn s MET 4 CO 0.23 -1.04 0.65 0.99 -0.01 0.00 0.00 175.02 175.85 2kqn s THR 5 N 1.62 4.87 -0.04 2.05 2.01 0.18 -4.58 115.64 121.76 2kqn s THR 5 Ca 0.04 0.65 0.06 0.00 0.31 0.00 0.00 61.69 62.75 2kqn s THR 5 Cb -0.24 -4.09 -0.02 0.00 0.01 0.00 0.00 72.50 68.16 2kqn s THR 5 CO 0.06 -0.31 -0.23 -1.58 -0.69 0.00 0.00 174.62 171.86 2kqn s GLN 6 N 2.75 2.34 0.04 4.92 0.74 -1.26 0.64 119.66 129.83 2kqn s GLN 6 Ca 0.25 -0.87 -0.02 0.00 0.05 0.00 0.00 55.36 54.77 2kqn s GLN 6 Cb -0.14 -2.15 -0.03 0.00 1.10 0.00 0.00 33.01 31.79 2kqn s GLN 6 CO 0.15 0.51 0.01 -1.12 -0.55 0.00 0.00 175.29 174.29 2kqn s SER 7 N -0.48 0.32 1.02 6.67 0.01 0.60 -4.47 113.70 117.38 2kqn s SER 7 Ca 0.06 -0.72 -0.09 0.00 1.31 0.00 0.00 55.95 56.50 2kqn s SER 7 Cb -0.11 0.18 0.13 0.00 0.21 0.00 0.00 66.02 66.43 2kqn s SER 7 CO 0.01 -0.49 0.71 -2.65 0.41 0.00 0.00 173.24 171.22 2kqn n PRO 8 N 0.71 -0.97 0.07 12.44 -0.02 -1.26 -0.19 135.00 145.77 2kqn n PRO 8 Ca -0.18 -1.10 -0.13 0.00 -2.02 0.00 0.00 63.50 60.07 2kqn n PRO 8 Cb 0.59 -0.78 -0.04 0.00 -0.02 0.00 0.00 33.50 33.25 2kqn n PRO 8 CO 0.00 0.00 0.00 0.66 1.98 0.00 0.00 175.50 178.14 2kqn h SER 9 N -1.13 0.52 -3.50 2.55 4.64 -1.84 -3.27 113.55 111.51 2kqn h SER 9 Ca -0.23 -0.42 0.04 0.00 -0.47 0.00 0.00 61.79 60.71 2kqn h SER 9 Cb 0.66 -0.16 -0.25 0.00 -0.31 0.00 0.00 62.40 62.34 2kqn h SER 9 CO 0.16 1.22 0.40 -0.94 -0.87 0.00 0.00 176.83 176.80 2kqn s SER 10 N -7.07 -0.50 -0.10 4.97 1.04 -1.26 -1.05 113.70 109.73 2kqn s SER 10 Ca -0.06 0.90 -0.05 0.00 0.48 0.00 0.00 55.95 57.23 2kqn s SER 10 Cb 0.09 0.89 0.05 0.00 0.10 0.00 0.00 66.02 67.15 2kqn s SER 10 CO 0.87 -0.21 0.23 -1.48 0.98 0.00 0.00 173.24 173.63 2kqn s LEU 11 N 0.04 0.26 -0.19 2.42 2.34 -0.56 -4.92 118.68 118.06 2kqn s LEU 11 Ca 0.02 0.50 -0.12 0.00 0.06 0.00 0.00 54.13 54.58 2kqn s LEU 11 Cb -0.04 0.64 -0.05 0.00 -0.56 0.00 0.00 46.19 46.18 2kqn s LEU 11 CO -0.04 -0.19 0.23 -0.94 -1.06 0.00 0.00 176.35 174.36 2kqn s SER 12 N 1.58 6.30 0.07 1.48 1.04 -1.26 -1.96 113.70 120.95 2kqn s SER 12 Ca -0.06 0.34 0.01 0.00 0.48 0.00 0.00 55.95 56.72 2kqn s SER 12 Cb -0.11 -2.15 -0.04 0.00 0.10 0.00 0.00 66.02 63.83 2kqn s SER 12 CO -0.08 0.09 -0.06 0.00 0.98 0.00 0.00 173.24 174.17 2kqn s ALA 13 N 0.68 0.72 0.27 5.32 0.00 0.86 -4.82 121.76 124.79 2kqn s ALA 13 Ca 0.12 -1.14 0.08 0.00 0.00 0.00 0.00 51.96 51.02 2kqn s ALA 13 Cb -0.13 0.16 -0.04 0.00 0.00 0.00 0.00 23.12 23.12 2kqn s ALA 13 CO 0.03 -0.22 0.16 0.45 0.00 0.00 0.00 175.76 176.18 2kqn s SER 14 N -2.61 5.26 -0.23 0.00 0.15 -1.26 -1.89 113.70 113.12 2kqn s SER 14 Ca 0.04 -0.38 -0.41 0.00 0.70 0.00 0.00 55.95 55.90 2kqn s SER 14 Cb 0.02 -1.21 -0.18 0.00 -1.71 0.00 0.00 66.02 62.94 2kqn s SER 14 CO -0.05 -0.08 1.51 0.52 1.20 0.00 0.00 173.24 176.35 2kqn n VAL 15 N -1.14 0.11 0.00 4.45 0.31 -1.26 -0.65 118.33 120.15 2kqn n VAL 15 Ca -0.07 -0.02 0.00 0.00 -0.01 0.00 0.00 64.34 64.24 2kqn n VAL 15 Cb 0.58 -0.73 0.00 0.00 -0.91 0.00 0.00 33.84 32.78 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 3.37 2.46 3.82 2.92 0.00 0.14 -4.91 105.19 112.99 2kqn n GLY 16 Ca 0.25 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.96 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 -0.51 5.71 -0.11 1.61 1.01 0.18 -4.29 116.67 120.25 2kqn s ASP 17 Ca 0.00 1.65 -0.09 0.00 0.71 0.00 0.00 52.55 54.82 2kqn s ASP 17 Cb 0.00 -2.50 -0.04 0.00 1.01 0.00 0.00 42.92 41.38 2kqn s ASP 17 CO 0.00 -1.22 0.19 -0.60 0.21 0.00 0.00 175.17 173.74 2kqn s ARG 18 N -4.69 3.62 -0.03 8.23 3.52 -1.26 -0.37 118.95 127.97 2kqn s ARG 18 Ca 0.59 -0.05 0.05 0.00 -0.13 0.00 0.00 55.73 56.20 2kqn s ARG 18 Cb -0.14 -3.23 -0.01 0.00 -1.56 0.00 0.00 34.95 30.01 2kqn s ARG 18 CO 0.47 0.70 -0.19 0.08 -0.81 0.00 0.00 175.30 175.55 2kqn s VAL 19 N -0.84 1.52 -0.14 7.11 1.01 -0.17 -4.97 120.40 123.92 2kqn s VAL 19 Ca 0.16 -0.80 0.00 0.00 0.00 0.00 0.00 61.98 61.34 2kqn s VAL 19 Cb -0.13 -1.28 0.02 0.00 0.00 0.00 0.00 36.38 34.99 2kqn s VAL 19 CO 0.05 0.43 -0.13 -0.89 0.00 0.00 0.00 175.10 174.56 2kqn s THR 20 N -0.25 1.44 -0.04 3.92 2.01 -1.26 -0.27 115.64 121.18 2kqn s THR 20 Ca 0.02 -0.55 0.05 0.00 0.31 0.00 0.00 61.69 61.53 2kqn s THR 20 Cb -0.09 -1.36 -0.02 0.00 0.01 0.00 0.00 72.50 71.03 2kqn s THR 20 CO 0.01 0.44 -0.20 -0.63 -0.69 0.00 0.00 174.62 173.54 2kqn s ILE 21 N 1.48 2.57 -0.10 1.82 1.01 0.16 -4.66 121.20 123.48 2kqn s ILE 21 Ca 0.04 -0.91 0.04 0.00 0.00 0.00 0.00 60.65 59.82 2kqn s ILE 21 Cb -0.13 -1.96 0.00 0.00 0.01 0.00 0.00 42.46 40.38 2kqn s ILE 21 CO -0.09 0.58 -0.22 -0.89 0.00 0.00 0.00 174.94 174.32 2kqn s THR 22 N -0.59 1.92 -0.08 2.92 2.01 0.73 0.05 115.64 122.60 2kqn s THR 22 Ca 0.09 -0.93 0.04 0.00 0.31 0.00 0.00 61.69 61.20 2kqn s THR 22 Cb -0.11 -1.68 -0.01 0.00 0.01 0.00 0.00 72.50 70.72 2kqn s THR 22 CO 0.00 0.53 -0.22 0.00 -0.69 0.00 0.00 174.62 174.24 2kqn s GLN 24 N 0.01 1.22 0.03 0.00 -0.21 0.21 -0.22 119.66 120.71 2kqn s GLN 24 Ca -0.08 -0.17 -0.18 0.00 0.02 0.00 0.00 55.36 54.95 2kqn s GLN 24 Cb -0.15 -1.29 -0.06 0.00 1.00 0.00 0.00 33.01 32.50 2kqn s GLN 24 CO 0.05 -0.20 0.53 0.00 -2.12 0.00 0.00 175.29 173.55 2kqn s ALA 25 N 1.49 3.59 0.28 6.09 0.00 0.82 0.47 121.76 134.49 2kqn s ALA 25 Ca -0.01 -0.04 -0.03 0.00 0.00 0.00 0.00 51.96 51.89 2kqn s ALA 25 Cb -0.13 -2.60 0.39 0.00 0.00 0.00 0.00 23.12 20.77 2kqn s ALA 25 CO -0.04 0.35 1.91 0.77 0.00 0.00 0.00 175.76 178.74 2kqn h SER 26 N 4.93 0.94 -2.56 0.00 0.02 -0.87 -3.43 113.55 112.57 2kqn h SER 26 Ca -0.49 -0.07 -0.58 0.00 -0.84 0.00 0.00 61.79 59.81 2kqn h SER 26 Cb 1.21 -0.24 -0.15 0.00 0.14 0.00 0.00 62.40 63.37 2kqn h SER 26 CO 0.65 0.75 -0.76 -1.10 -1.14 0.00 0.00 176.83 175.23 2kqn s GLN 27 N -5.72 1.58 0.27 3.45 1.11 -1.26 -4.98 119.66 114.11 2kqn s GLN 27 Ca -0.11 -1.70 -0.27 0.00 0.01 0.00 0.00 55.36 53.29 2kqn s GLN 27 Cb 0.17 -1.63 -0.09 0.00 -1.01 0.00 0.00 33.01 30.45 2kqn s GLN 27 CO 0.80 0.30 0.92 0.16 0.01 0.00 0.00 175.29 177.48 2kqn s ASP 28 N -3.36 7.45 -0.15 5.90 1.47 -1.26 -4.68 116.67 122.04 2kqn s ASP 28 Ca 0.27 1.84 0.17 0.00 1.18 0.00 0.00 52.55 56.01 2kqn s ASP 28 Cb -0.04 -2.58 0.35 0.00 -0.34 0.00 0.00 42.92 40.31 2kqn s ASP 28 CO 0.13 0.05 1.21 2.30 0.68 0.00 0.00 175.17 179.53 2kqn n ILE 29 N 1.01 2.01 0.00 2.11 -5.35 -0.80 -4.98 119.36 113.36 2kqn n ILE 29 Ca -0.00 -2.36 0.00 0.00 -0.27 0.00 0.00 62.75 60.12 2kqn n ILE 29 Cb 0.49 -0.25 0.00 0.00 -1.74 0.00 0.00 39.64 38.14 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 -1.27 0.00 0.00 7.28 5.15 -1.26 -1.38 115.26 123.78 2kqn n ASN 30 Ca 0.18 0.00 0.00 0.00 -0.60 0.00 0.00 54.58 54.16 2kqn n ASN 30 Cb 0.69 0.00 0.00 0.00 -0.53 0.00 0.00 39.78 39.94 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 1.34 0.00 -4.51 1.20 6.94 -1.26 -0.29 115.26 118.67 2kqn n ASN 31 Ca 0.00 -0.92 -0.43 0.00 -0.02 0.00 0.00 54.58 53.21 2kqn n ASN 31 Cb 0.00 0.00 -0.00 0.00 -2.36 0.00 0.00 39.78 37.42 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 3.13 0.00 -2.53 2.02 -0.48 -2.98 117.35 116.51 2kqn s TYR 32 Ca 0.00 -1.79 0.04 0.00 -0.37 0.00 0.00 57.07 54.95 2kqn s TYR 32 Cb 0.00 -4.51 -0.01 0.00 -0.40 0.00 0.00 41.96 37.04 2kqn s TYR 32 CO 0.00 -1.60 -0.13 -1.17 -1.57 0.00 0.00 175.55 171.09 2kqn s LEU 33 N 2.91 2.06 0.01 -1.29 1.98 -1.26 -2.56 118.68 120.53 2kqn s LEU 33 Ca 0.46 -0.28 0.06 0.00 -2.89 0.00 0.00 54.13 51.48 2kqn s LEU 33 Cb -0.00 -0.62 -0.02 0.00 0.66 0.00 0.00 46.19 46.21 2kqn s LEU 33 CO 0.01 0.12 -0.17 -0.63 -1.89 0.00 0.00 176.35 173.79 2kqn s ILE 34 N -0.44 1.38 -0.13 6.68 1.01 0.64 -0.60 121.20 129.74 2kqn s ILE 34 Ca 0.04 -0.91 -0.01 0.00 0.00 0.00 0.00 60.65 59.77 2kqn s ILE 34 Cb -0.06 -1.18 -0.02 0.00 0.01 0.00 0.00 42.46 41.21 2kqn s ILE 34 CO -0.00 0.25 -0.11 0.26 0.00 0.00 0.00 174.94 175.34 2kqn s TRP 35 N -0.60 2.86 0.21 3.97 0.52 0.21 -0.28 118.94 125.83 2kqn s TRP 35 Ca 0.06 -0.54 0.09 0.00 0.02 0.00 0.00 56.10 55.73 2kqn s TRP 35 Cb -0.07 -1.86 -0.05 0.00 -1.15 0.00 0.00 33.47 30.34 2kqn s TRP 35 CO 0.00 -0.15 -0.17 0.71 0.02 0.00 0.00 176.95 177.36 2kqn s TYR 36 N 0.29 1.90 -0.07 -1.98 2.02 0.11 -0.69 117.35 118.94 2kqn s TYR 36 Ca -0.08 -0.48 0.04 0.00 -0.37 0.00 0.00 57.07 56.18 2kqn s TYR 36 Cb -0.15 -0.88 0.00 0.00 -0.40 0.00 0.00 41.96 40.52 2kqn s TYR 36 CO 0.05 0.45 -0.19 1.14 -1.57 0.00 0.00 175.55 175.43 2kqn s GLN 37 N -3.36 2.21 -0.20 -0.62 -2.07 -0.19 -1.91 119.66 113.52 2kqn s GLN 37 Ca 0.23 -0.68 0.01 0.00 -1.82 0.00 0.00 55.36 53.10 2kqn s GLN 37 Cb -0.03 -1.81 0.04 0.00 -1.09 0.00 0.00 33.01 30.12 2kqn s GLN 37 CO 0.09 0.20 -0.11 -1.14 -1.32 0.00 0.00 175.29 173.01 2kqn s GLN 38 N 0.23 2.07 0.12 9.60 0.74 0.36 -0.69 119.66 132.10 2kqn s GLN 38 Ca -0.10 -0.86 -0.30 0.00 0.05 0.00 0.00 55.36 54.14 2kqn s GLN 38 Cb -0.15 -2.44 -0.06 0.00 1.10 0.00 0.00 33.01 31.46 2kqn s GLN 38 CO 0.05 -0.43 0.99 0.15 -0.55 0.00 0.00 175.29 175.50 2kqn s LYS 39 N 1.38 4.67 -0.45 1.67 3.01 -1.26 -0.61 119.74 128.15 2kqn s LYS 39 Ca -0.01 1.50 -0.30 0.00 -1.01 0.00 0.00 55.97 56.15 2kqn s LYS 39 Cb -0.16 -3.36 -0.10 0.00 -1.01 0.00 0.00 37.83 33.20 2kqn s LYS 39 CO -0.08 0.18 2.34 -2.30 0.51 0.00 0.00 175.35 176.00 2kqn n PRO 40 N 2.75 1.12 0.00 -1.68 -0.02 -1.26 -1.22 135.00 134.69 2kqn n PRO 40 Ca 0.03 0.20 0.00 0.00 -2.02 0.00 0.00 63.50 61.71 2kqn n PRO 40 Cb 0.49 -2.87 0.00 0.00 -0.02 0.00 0.00 33.50 31.10 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 6.19 1.30 3.48 -1.23 0.00 -1.26 -5.11 105.19 108.55 2kqn n GLY 41 Ca 0.40 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 46.19 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 1.68 0.60 1.61 -2.07 -0.36 -5.13 119.66 115.99 2kqn s GLN 42 Ca 0.00 -1.88 -0.17 0.00 -1.82 0.00 0.00 55.36 51.49 2kqn s GLN 42 Cb 0.00 -1.34 -0.03 0.00 -1.09 0.00 0.00 33.01 30.55 2kqn s GLN 42 CO 0.00 0.04 1.11 0.00 -1.32 0.00 0.00 175.29 175.12 2kqn s ALA 43 N -2.89 2.59 0.07 2.60 0.00 -1.26 -4.59 121.76 118.28 2kqn s ALA 43 Ca 0.32 0.65 -0.31 0.00 0.00 0.00 0.00 51.96 52.62 2kqn s ALA 43 Cb 0.04 -3.33 -0.09 0.00 0.00 0.00 0.00 23.12 19.75 2kqn s ALA 43 CO 0.14 -1.02 1.72 -1.25 0.00 0.00 0.00 175.76 175.35 2kqn s PRO 44 N -3.74 4.18 -0.13 0.00 0.04 -1.26 -4.72 135.00 129.37 2kqn s PRO 44 Ca 0.69 2.40 -0.19 0.00 0.04 0.00 0.00 61.00 63.94 2kqn s PRO 44 Cb -0.22 -3.68 -0.04 0.00 0.04 0.00 0.00 34.50 30.61 2kqn s PRO 44 CO 0.35 -0.79 0.54 0.21 0.04 0.00 0.00 177.00 177.35 2kqn s LYS 45 N 2.93 4.32 0.01 4.56 2.20 0.14 -4.86 119.74 129.04 2kqn s LYS 45 Ca 0.77 0.53 -0.30 0.00 -0.36 0.00 0.00 55.97 56.60 2kqn s LYS 45 Cb -0.41 -3.47 -0.05 0.00 -1.51 0.00 0.00 37.83 32.39 2kqn s LYS 45 CO 0.34 0.05 1.30 -1.17 -0.36 0.00 0.00 175.35 175.51 2kqn s LEU 46 N 0.96 4.32 -0.05 5.43 0.20 -1.26 -1.02 118.68 127.26 2kqn s LEU 46 Ca 0.28 2.04 -0.05 0.00 0.69 0.00 0.00 54.13 57.09 2kqn s LEU 46 Cb -0.16 -3.57 -0.03 0.00 -0.43 0.00 0.00 46.19 42.01 2kqn s LEU 46 CO 0.11 -0.62 -0.12 -0.11 -0.29 0.00 0.00 176.35 175.32 2kqn n LEU 47 N 4.85 1.00 -4.11 -0.68 7.94 0.13 -4.89 117.00 121.24 2kqn n LEU 47 Ca 0.11 0.16 -0.23 0.00 -1.11 0.00 0.00 56.01 54.94 2kqn n LEU 47 Cb 0.45 -0.37 -0.15 0.00 0.53 0.00 0.00 43.42 43.88 2kqn n LEU 47 CO 0.57 -0.18 -0.48 -0.63 -1.11 0.00 0.00 177.39 175.56 2kqn s ILE 48 N -2.23 1.13 0.24 1.96 1.01 -1.11 -1.77 121.20 120.43 2kqn s ILE 48 Ca -0.11 -0.61 0.01 0.00 0.00 0.00 0.00 60.65 59.94 2kqn s ILE 48 Cb 0.03 -0.94 -0.05 0.00 0.01 0.00 0.00 42.46 41.51 2kqn s ILE 48 CO 0.15 0.32 0.09 -0.72 0.00 0.00 0.00 174.94 174.78 2kqn s TYR 49 N -0.31 1.44 -2.02 3.97 1.13 0.11 0.67 117.35 122.35 2kqn s TYR 49 Ca 0.05 -1.19 0.00 0.00 -1.41 0.00 0.00 57.07 54.52 2kqn s TYR 49 Cb -0.06 -0.83 0.00 0.00 -1.10 0.00 0.00 41.96 39.97 2kqn s TYR 49 CO -0.00 -0.36 0.00 -3.47 -2.51 0.00 0.00 175.55 169.21 2kqn n ASP 50 N -0.41 -5.41 0.00 -0.18 2.03 -0.34 -0.30 116.55 111.94 2kqn n ASP 50 Ca -0.01 0.41 0.00 0.00 0.52 0.00 0.00 54.79 55.71 2kqn n ASP 50 Cb 0.66 -4.61 0.00 0.00 -0.72 0.00 0.00 41.12 36.45 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 0.83 0.00 -0.13 -1.67 0.00 0.23 -4.38 120.51 115.40 2kqn n ALA 51 Ca -0.20 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.24 2kqn n ALA 51 Cb 0.65 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.10 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 1.79 0.63 -4.66 0.00 7.64 -1.17 -3.83 113.62 114.01 2kqn n SER 52 Ca 0.00 -0.86 -0.38 0.00 1.01 0.00 0.00 58.87 58.63 2kqn n SER 52 Cb 0.00 0.20 -0.07 0.00 -1.01 0.00 0.00 64.21 63.32 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 -0.20 5.18 0.10 0.44 2.01 0.59 -4.62 115.64 119.14 2kqn s THR 53 Ca 0.00 0.74 -0.29 0.00 0.31 0.00 0.00 61.69 62.45 2kqn s THR 53 Cb 0.00 -3.75 -0.06 0.00 0.01 0.00 0.00 72.50 68.70 2kqn s THR 53 CO 0.00 0.22 0.91 -0.76 -0.69 0.00 0.00 174.62 174.31 2kqn s LEU 54 N 1.48 4.50 0.54 4.42 1.02 -1.26 0.05 118.68 129.42 2kqn s LEU 54 Ca 0.20 1.72 -0.19 0.00 0.02 0.00 0.00 54.13 55.88 2kqn s LEU 54 Cb -0.15 -3.51 -0.06 0.00 0.02 0.00 0.00 46.19 42.50 2kqn s LEU 54 CO 0.08 -0.04 1.09 -0.70 0.02 0.00 0.00 176.35 176.81 2kqn s GLU 55 N -0.07 3.44 -0.15 1.70 2.56 -0.73 -4.91 118.70 120.53 2kqn s GLU 55 Ca 0.45 1.47 -0.36 0.00 0.00 0.00 0.00 54.97 56.52 2kqn s GLU 55 Cb -0.23 -2.03 -0.13 0.00 2.00 0.00 0.00 34.13 33.74 2kqn s GLU 55 CO 0.28 -0.75 1.82 2.41 -0.56 0.00 0.00 175.26 178.46 2kqn n THR 56 N -1.38 0.46 0.00 -1.70 -1.04 -1.26 -0.80 114.28 108.56 2kqn n THR 56 Ca 0.10 -0.08 0.00 0.00 -2.04 0.00 0.00 64.05 62.03 2kqn n THR 56 Cb 0.52 -1.61 0.00 0.00 -1.82 0.00 0.00 70.33 67.41 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 4.28 0.74 3.67 3.41 0.00 -1.26 -5.06 105.19 110.98 2kqn n GLY 57 Ca 0.24 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.83 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 -2.12 4.73 0.46 1.61 1.01 0.02 -5.02 120.40 121.09 2kqn s VAL 58 Ca 0.00 1.99 -0.24 0.00 0.00 0.00 0.00 61.98 63.73 2kqn s VAL 58 Cb 0.00 -4.29 -0.09 0.00 0.00 0.00 0.00 36.38 32.00 2kqn s VAL 58 CO 0.00 -0.11 1.15 -2.65 0.00 0.00 0.00 175.10 173.49 2kqn n PRO 59 N 5.85 1.55 0.30 2.72 -0.02 -1.26 -4.88 135.00 139.26 2kqn n PRO 59 Ca 0.10 0.56 0.20 0.00 -2.02 0.00 0.00 63.50 62.34 2kqn n PRO 59 Cb 0.47 -2.25 1.06 0.00 -0.02 0.00 0.00 33.50 32.75 2kqn n PRO 59 CO 0.00 0.00 0.00 0.77 1.98 0.00 0.00 175.50 178.25 2kqn h SER 60 N 1.59 0.00 -0.11 2.55 0.02 -2.00 -2.28 113.55 113.33 2kqn h SER 60 Ca -0.47 0.00 0.03 0.00 -0.84 0.00 0.00 61.79 60.51 2kqn h SER 60 Cb 1.32 0.00 -0.00 0.00 0.14 0.00 0.00 62.40 63.86 2kqn h SER 60 CO 0.57 0.00 0.08 0.03 -1.14 0.00 0.00 176.83 176.38 2kqn h ARG 61 N 0.00 0.00 -6.33 3.45 3.08 -1.94 -3.40 114.38 109.24 2kqn h ARG 61 Ca 0.00 0.00 -0.55 0.00 0.07 0.00 0.00 59.98 59.50 2kqn h ARG 61 Cb 0.03 0.00 -0.04 0.00 0.08 0.00 0.00 29.97 30.05 2kqn h ARG 61 CO 0.00 0.00 0.08 -0.06 -1.07 0.00 0.00 179.97 178.92 2kqn s PHE 62 N -4.92 3.82 -0.12 3.04 0.08 -0.86 0.10 117.98 119.12 2kqn s PHE 62 Ca -0.05 1.43 -0.11 0.00 0.12 0.00 0.00 56.93 58.31 2kqn s PHE 62 Cb 0.17 -2.66 0.03 0.00 -0.57 0.00 0.00 43.02 39.99 2kqn s PHE 62 CO 0.64 0.49 0.33 -1.12 -0.10 0.00 0.00 175.22 175.45 2kqn s SER 63 N -0.85 -0.34 -0.07 1.36 0.01 -0.18 -4.98 113.70 108.65 2kqn s SER 63 Ca 0.33 0.66 0.03 0.00 1.31 0.00 0.00 55.95 58.28 2kqn s SER 63 Cb -0.21 0.67 0.01 0.00 0.21 0.00 0.00 66.02 66.70 2kqn s SER 63 CO 0.22 -0.11 -0.14 -0.83 0.41 0.00 0.00 173.24 172.79 2kqn s GLY 64 N 0.19 0.86 -0.02 3.44 0.00 -1.26 -0.20 107.32 110.33 2kqn s GLY 64 Ca -0.00 -0.48 0.00 0.00 0.00 0.00 0.00 44.72 44.24 2kqn s GLY 64 CO 0.00 0.05 0.02 -0.56 0.00 0.00 0.00 173.10 172.61 2kqn s SER 65 N 0.61 0.13 0.00 1.64 0.01 0.72 -3.84 113.70 112.97 2kqn s SER 65 Ca -0.15 0.01 0.00 0.00 1.31 0.00 0.00 55.95 57.13 2kqn s SER 65 Cb -0.16 -0.08 0.00 0.00 0.21 0.00 0.00 66.02 65.99 2kqn s SER 65 CO 0.04 -0.09 0.00 0.61 0.41 0.00 0.00 173.24 174.22 2kqn n GLY 66 N 3.88 1.69 3.49 3.44 0.00 -1.26 -0.18 105.19 116.25 2kqn n GLY 66 Ca -0.24 -1.47 -0.15 0.00 0.00 0.00 0.00 46.02 44.16 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 0.00 -0.59 0.00 1.61 1.04 -0.43 -4.74 113.70 110.59 2kqn s SER 67 Ca 0.00 0.88 0.00 0.00 0.48 0.00 0.00 55.95 57.31 2kqn s SER 67 Cb 0.00 0.84 0.00 0.00 0.10 0.00 0.00 66.02 66.96 2kqn s SER 67 CO 0.00 -0.41 0.00 0.61 0.98 0.00 0.00 173.24 174.42 2kqn n GLY 68 N 1.78 1.42 0.02 7.32 0.00 0.60 -2.94 105.19 113.38 2kqn n GLY 68 Ca -0.17 0.21 -0.02 0.00 0.00 0.00 0.00 46.02 46.04 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 0.23 -4.14 2.61 -2.24 -1.26 -1.90 114.28 107.58 2kqn n THR 69 Ca 0.00 -0.11 -0.35 0.00 -2.27 0.00 0.00 64.05 61.32 2kqn n THR 69 Cb 0.00 -0.77 -0.12 0.00 -2.10 0.00 0.00 70.33 67.35 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 -2.08 3.72 -0.04 -0.78 2.02 -1.15 -0.13 118.70 120.26 2kqn s GLU 70 Ca -0.04 -0.48 0.01 0.00 0.02 0.00 0.00 54.97 54.49 2kqn s GLU 70 Cb 0.01 -3.08 0.02 0.00 0.10 0.00 0.00 34.13 31.19 2kqn s GLU 70 CO 0.11 0.13 -0.05 -0.06 0.02 0.00 0.00 175.26 175.42 2kqn s PHE 71 N 0.69 0.75 -0.08 1.61 0.08 0.70 -1.32 117.98 120.41 2kqn s PHE 71 Ca 0.00 -0.20 0.04 0.00 0.12 0.00 0.00 56.93 56.89 2kqn s PHE 71 Cb -0.14 -0.65 -0.01 0.00 -0.57 0.00 0.00 43.02 41.65 2kqn s PHE 71 CO 0.02 -0.18 -0.22 0.99 -0.10 0.00 0.00 175.22 175.73 2kqn s THR 72 N 0.84 2.28 -0.18 0.64 2.01 0.75 0.04 115.64 122.02 2kqn s THR 72 Ca -0.11 -0.97 -0.00 0.00 0.31 0.00 0.00 61.69 60.92 2kqn s THR 72 Cb -0.14 -1.87 0.00 0.00 0.01 0.00 0.00 72.50 70.51 2kqn s THR 72 CO 0.00 0.56 -0.15 0.12 -0.69 0.00 0.00 174.62 174.47 2kqn s PHE 73 N 0.04 2.81 -0.08 4.92 5.36 0.11 -0.20 117.98 130.95 2kqn s PHE 73 Ca -0.09 -1.22 0.03 0.00 -0.96 0.00 0.00 56.93 54.69 2kqn s PHE 73 Cb -0.15 -1.94 0.01 0.00 -0.34 0.00 0.00 43.02 40.60 2kqn s PHE 73 CO 0.06 -0.60 -0.15 0.99 -1.46 0.00 0.00 175.22 174.05 2kqn s THR 74 N 1.10 1.39 -0.36 0.12 2.01 0.73 0.37 115.64 121.00 2kqn s THR 74 Ca 0.00 -0.62 -0.14 0.00 0.31 0.00 0.00 61.69 61.24 2kqn s THR 74 Cb -0.14 -1.24 -0.00 0.00 0.01 0.00 0.00 72.50 71.12 2kqn s THR 74 CO -0.05 0.41 0.27 -0.63 -0.69 0.00 0.00 174.62 173.93 2kqn s ILE 75 N 0.60 5.27 0.26 1.82 1.01 0.62 -1.02 121.20 129.77 2kqn s ILE 75 Ca -0.15 -0.35 0.01 0.00 0.00 0.00 0.00 60.65 60.16 2kqn s ILE 75 Cb -0.16 -3.79 0.05 0.00 0.01 0.00 0.00 42.46 38.56 2kqn s ILE 75 CO 0.05 -0.11 1.68 -1.28 0.00 0.00 0.00 174.94 175.27 2kqn h SER 76 N 8.54 0.55 -2.35 3.58 0.87 -0.61 -0.44 113.55 123.69 2kqn h SER 76 Ca -0.30 -0.20 -0.22 0.00 -1.23 0.00 0.00 61.79 59.84 2kqn h SER 76 Cb 1.14 -0.15 -0.32 0.00 -0.44 0.00 0.00 62.40 62.63 2kqn h SER 76 CO 0.67 0.81 -0.54 -0.44 -0.53 0.00 0.00 176.83 176.80 2kqn s SER 77 N -6.81 0.66 0.10 6.23 0.01 -1.26 -4.06 113.70 108.58 2kqn s SER 77 Ca -0.07 0.17 -0.31 0.00 1.31 0.00 0.00 55.95 57.05 2kqn s SER 77 Cb 0.13 0.78 -0.08 0.00 0.21 0.00 0.00 66.02 67.05 2kqn s SER 77 CO 0.80 -0.29 1.54 -0.22 0.41 0.00 0.00 173.24 175.48 2kqn s LEU 78 N 2.44 4.36 0.18 2.44 1.98 0.50 -4.76 118.68 125.81 2kqn s LEU 78 Ca 0.08 2.45 0.07 0.00 -2.89 0.00 0.00 54.13 53.84 2kqn s LEU 78 Cb -0.15 -3.58 -0.04 0.00 0.66 0.00 0.00 46.19 43.09 2kqn s LEU 78 CO -0.13 -0.80 0.01 -1.10 -1.89 0.00 0.00 176.35 172.44 2kqn s GLN 79 N 1.82 2.45 0.34 1.98 -1.52 -1.26 0.24 119.66 123.70 2kqn s GLN 79 Ca 0.70 -1.10 0.07 0.00 -1.95 0.00 0.00 55.36 53.08 2kqn s GLN 79 Cb -0.39 -2.38 0.76 0.00 -0.22 0.00 0.00 33.01 30.78 2kqn s GLN 79 CO 0.31 0.45 1.85 -1.00 -0.25 0.00 0.00 175.29 176.65 2kqn h PRO 80 N 2.64 0.74 -0.01 2.91 0.13 -1.97 0.94 132.00 137.37 2kqn h PRO 80 Ca -0.47 -0.04 0.00 0.00 -0.87 0.00 0.00 66.00 64.62 2kqn h PRO 80 Cb 1.20 -0.17 0.00 0.00 0.13 0.00 0.00 31.00 32.17 2kqn h PRO 80 CO 0.59 0.49 0.00 0.39 -0.23 0.00 0.00 178.00 179.23 2kqn n GLU 81 N -4.59 1.03 0.00 0.86 1.02 -1.26 -3.10 120.64 114.59 2kqn n GLU 81 Ca 0.18 -0.04 0.14 0.00 -0.02 0.00 0.00 57.16 57.42 2kqn n GLU 81 Cb 0.46 -1.32 0.49 0.00 -0.02 0.00 0.00 31.44 31.06 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 -0.77 1.34 -4.67 1.62 8.00 0.33 -4.85 116.55 117.54 2kqn n ASP 82 Ca 0.15 -1.31 -0.42 0.00 0.71 0.00 0.00 54.79 53.92 2kqn n ASP 82 Cb 0.08 0.03 -0.03 0.00 -0.02 0.00 0.00 41.12 41.19 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 -2.14 4.33 0.00 0.64 2.96 -1.18 -4.91 118.68 118.38 2kqn s LEU 83 Ca 0.34 2.28 0.00 0.00 -0.22 0.00 0.00 54.13 56.53 2kqn s LEU 83 Cb 0.21 -3.55 0.00 0.00 0.50 0.00 0.00 46.19 43.35 2kqn s LEU 83 CO 0.39 -0.87 0.00 0.00 -1.32 0.00 0.00 176.35 174.55 2kqn n ALA 84 N 6.29 0.00 -2.67 5.97 0.00 -1.26 -4.74 120.51 124.10 2kqn n ALA 84 Ca 0.16 0.00 -0.40 0.00 0.00 0.00 0.00 53.44 53.19 2kqn n ALA 84 Cb 0.42 0.00 -0.05 0.00 0.00 0.00 0.00 19.45 19.82 2kqn n ALA 84 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.50 178.49 2kqn s THR 85 N -2.00 4.97 -0.12 0.00 2.01 0.22 -3.25 115.64 117.47 2kqn s THR 85 Ca 0.00 1.36 -0.05 0.00 0.31 0.00 0.00 61.69 63.31 2kqn s THR 85 Cb 0.00 -4.02 -0.04 0.00 0.01 0.00 0.00 72.50 68.46 2kqn s THR 85 CO 0.00 0.09 0.05 -0.31 -0.69 0.00 0.00 174.62 173.76 2kqn s TYR 86 N 1.93 3.28 0.26 4.92 1.51 -1.17 -0.49 117.35 127.59 2kqn s TYR 86 Ca 0.33 0.21 -0.14 0.00 -1.01 0.00 0.00 57.07 56.45 2kqn s TYR 86 Cb -0.16 -1.92 0.00 0.00 -0.11 0.00 0.00 41.96 39.77 2kqn s TYR 86 CO 0.11 0.42 0.53 1.52 -1.11 0.00 0.00 175.55 177.02 2kqn s TYR 87 N -0.49 0.26 0.04 2.71 -0.85 -0.80 -4.10 117.35 114.10 2kqn s TYR 87 Ca 0.10 -0.64 0.06 0.00 -0.52 0.00 0.00 57.07 56.07 2kqn s TYR 87 Cb -0.12 0.30 -0.02 0.00 0.38 0.00 0.00 41.96 42.50 2kqn s TYR 87 CO 0.02 -1.05 -0.17 0.00 -1.52 0.00 0.00 175.55 172.83 2kqn s GLN 89 N -1.10 0.51 0.11 0.00 -2.07 0.62 -0.48 119.66 117.25 2kqn s GLN 89 Ca 0.04 -0.29 -0.05 0.00 -1.82 0.00 0.00 55.36 53.25 2kqn s GLN 89 Cb -0.08 -0.48 -0.05 0.00 -1.09 0.00 0.00 33.01 31.31 2kqn s GLN 89 CO 0.01 0.13 0.35 1.14 -1.32 0.00 0.00 175.29 175.60 2kqn s GLN 90 N -0.31 3.61 -0.11 9.60 1.03 -1.23 -0.26 119.66 131.99 2kqn s GLN 90 Ca 0.01 -0.09 0.14 0.00 0.04 0.00 0.00 55.36 55.47 2kqn s GLN 90 Cb -0.03 -2.92 0.27 0.00 0.03 0.00 0.00 33.01 30.36 2kqn s GLN 90 CO -0.00 0.52 1.14 2.48 -2.54 0.00 0.00 175.29 176.88 2kqn n TYR 91 N 0.35 0.00 -0.02 9.60 4.11 -1.06 -4.42 117.16 125.72 2kqn n TYR 91 Ca -0.05 -0.88 -0.18 0.00 -0.00 0.00 0.00 57.90 56.80 2kqn n TYR 91 Cb 0.52 -0.15 -0.13 0.00 -0.00 0.00 0.00 39.34 39.57 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 0.26 0.22 -4.29 9.48 3.58 -1.88 -3.47 116.42 120.32 2kqn h ASP 92 Ca -0.02 -0.89 -0.26 0.00 0.42 0.00 0.00 57.03 56.28 2kqn h ASP 92 Cb 1.14 -0.07 -0.25 0.00 1.72 0.00 0.00 39.33 41.86 2kqn h ASP 92 CO 0.01 1.30 -0.73 0.21 -2.88 0.00 0.00 179.24 177.15 2kqn s ASN 93 N -6.69 0.49 0.36 2.28 2.47 -1.26 -5.15 114.94 107.43 2kqn s ASN 93 Ca -0.19 -0.27 -0.18 0.00 0.42 0.00 0.00 52.86 52.64 2kqn s ASN 93 Cb 0.01 0.00 -0.10 0.00 -1.45 0.00 0.00 41.25 39.71 2kqn s ASN 93 CO 0.74 -0.09 0.82 -0.76 -3.72 0.00 0.00 177.10 174.09 2kqn s LEU 94 N -0.73 4.05 0.58 3.21 1.43 -1.26 -3.99 118.68 121.97 2kqn s LEU 94 Ca -0.05 1.46 -0.16 0.00 -1.03 0.00 0.00 54.13 54.36 2kqn s LEU 94 Cb -0.05 -4.21 -0.04 0.00 0.03 0.00 0.00 46.19 41.91 2kqn s LEU 94 CO -0.00 -0.24 1.04 -2.16 0.23 0.00 0.00 176.35 175.22 2kqn s PRO 95 N -2.95 3.45 -0.19 1.29 0.04 -1.26 -4.83 135.00 130.55 2kqn s PRO 95 Ca 0.56 1.14 -0.25 0.00 0.04 0.00 0.00 61.00 62.49 2kqn s PRO 95 Cb -0.11 -2.05 -0.01 0.00 0.04 0.00 0.00 34.50 32.37 2kqn s PRO 95 CO 0.16 -0.69 0.84 0.71 0.04 0.00 0.00 177.00 178.05 2kqn s TYR 96 N -2.51 3.39 -0.12 0.56 2.02 -1.26 -4.55 117.35 114.89 2kqn s TYR 96 Ca 0.62 1.23 -0.05 0.00 -0.37 0.00 0.00 57.07 58.50 2kqn s TYR 96 Cb -0.15 -3.03 -0.04 0.00 -0.40 0.00 0.00 41.96 38.35 2kqn s TYR 96 CO 0.36 -0.29 0.08 0.95 -1.57 0.00 0.00 175.55 175.07 2kqn s THR 97 N 2.38 4.95 -0.02 -0.71 -4.23 -1.26 -4.99 115.64 111.76 2kqn s THR 97 Ca 0.37 -0.00 -0.05 0.00 -1.18 0.00 0.00 61.69 60.83 2kqn s THR 97 Cb -0.16 -3.14 -0.04 0.00 1.34 0.00 0.00 72.50 70.49 2kqn s THR 97 CO 0.11 0.59 0.22 -0.36 -0.54 0.00 0.00 174.62 174.63 2kqn s PHE 98 N -0.74 3.57 0.92 3.99 0.08 -1.26 -3.55 117.98 120.99 2kqn s PHE 98 Ca 0.12 0.49 -0.15 0.00 0.12 0.00 0.00 56.93 57.51 2kqn s PHE 98 Cb -0.12 -1.92 0.16 0.00 -0.57 0.00 0.00 43.02 40.57 2kqn s PHE 98 CO 0.03 0.65 1.27 0.20 -0.10 0.00 0.00 175.22 177.26 2kqn s GLY 99 N -1.68 1.71 0.00 4.36 0.00 0.37 -4.89 107.32 107.19 2kqn s GLY 99 Ca 0.25 -1.01 0.00 0.00 0.00 0.00 0.00 44.72 43.97 2kqn s GLY 99 CO 0.15 -0.33 0.13 0.61 0.00 0.00 0.00 173.10 173.67 2kqn n GLN 100 N -3.66 0.00 0.19 2.90 0.00 -1.26 -4.57 117.38 110.98 2kqn n GLN 100 Ca 0.13 0.00 0.14 0.00 0.00 0.00 0.00 57.00 57.27 2kqn n GLN 100 Cb 0.60 0.00 0.50 0.00 0.00 0.00 0.00 30.24 31.34 2kqn n GLN 100 CO 0.00 0.00 0.00 0.78 0.00 0.00 0.00 177.06 177.84 2kqn h GLY 101 N 0.00 0.00 -6.13 2.61 0.00 -1.83 -3.43 103.07 94.29 2kqn h GLY 101 Ca 0.00 0.00 -0.66 0.00 0.00 0.00 0.00 47.33 46.67 2kqn h GLY 101 CO 0.00 0.00 -0.76 -1.59 0.00 0.00 0.00 176.54 174.19 2kqn s THR 102 N -3.39 3.04 -0.16 4.70 2.01 -1.23 -3.60 115.64 117.01 2kqn s THR 102 Ca 0.05 -0.63 -0.02 0.00 0.31 0.00 0.00 61.69 61.39 2kqn s THR 102 Cb 0.09 -2.32 -0.02 0.00 0.01 0.00 0.00 72.50 70.26 2kqn s THR 102 CO 0.52 0.49 -0.08 -0.75 -0.69 0.00 0.00 174.62 174.10 2kqn s LYS 103 N 0.91 3.46 -0.08 4.92 2.47 -0.21 -3.05 119.74 128.17 2kqn s LYS 103 Ca -0.02 -0.62 -0.09 0.00 -1.56 0.00 0.00 55.97 53.67 2kqn s LYS 103 Cb -0.15 -2.80 -0.05 0.00 -1.46 0.00 0.00 37.83 33.38 2kqn s LYS 103 CO -0.00 0.13 0.23 -1.17 0.16 0.00 0.00 175.35 174.69 2kqn s LEU 104 N 0.61 4.42 0.02 5.43 2.96 -1.20 -1.50 118.68 129.41 2kqn s LEU 104 Ca -0.05 0.62 0.02 0.00 -0.22 0.00 0.00 54.13 54.50 2kqn s LEU 104 Cb -0.15 -2.24 -0.01 0.00 0.50 0.00 0.00 46.19 44.28 2kqn s LEU 104 CO 0.03 0.38 -0.07 -1.61 -1.32 0.00 0.00 176.35 173.76 2kqn s GLU 105 N -1.07 0.49 -0.15 1.98 2.02 -0.83 -4.43 118.70 116.71 2kqn s GLU 105 Ca 0.18 -0.45 -0.12 0.00 0.02 0.00 0.00 54.97 54.60 2kqn s GLU 105 Cb -0.13 -0.37 -0.05 0.00 0.10 0.00 0.00 34.13 33.67 2kqn s GLU 105 CO 0.07 0.09 0.24 0.42 0.02 0.00 0.00 175.26 176.10 2kqn s ILE 106 N -0.70 5.34 0.44 -1.63 1.01 -1.24 -0.10 121.20 124.32 2kqn s ILE 106 Ca -0.03 0.43 -0.24 0.00 0.00 0.00 0.00 60.65 60.81 2kqn s ILE 106 Cb -0.06 -3.56 -0.08 0.00 0.01 0.00 0.00 42.46 38.77 2kqn s ILE 106 CO 0.00 0.45 1.18 -0.54 0.00 0.00 0.00 174.94 176.03 2kqn s LYS 107 N 0.09 3.87 0.00 2.79 1.02 -0.79 -4.86 119.74 121.85 2kqn s LYS 107 Ca 0.15 1.82 0.00 0.00 0.02 0.00 0.00 55.97 57.96 2kqn s LYS 107 Cb -0.13 -2.52 0.00 0.00 -0.52 0.00 0.00 37.83 34.66 2kqn s LYS 107 CO 0.03 -0.47 0.34 0.54 -0.92 0.00 0.00 175.35 174.86