#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 4.76 -0.27 2.12 1.01 -1.26 -4.65 121.20 122.90 2kqn s ILE 2 Ca 0.00 -0.12 -0.23 0.00 0.00 0.00 0.00 60.65 60.30 2kqn s ILE 2 Cb 0.00 -4.31 -0.01 0.00 0.01 0.00 0.00 42.46 38.15 2kqn s ILE 2 CO 0.00 -0.79 0.76 -1.58 0.00 0.00 0.00 174.94 173.33 2kqn s GLN 3 N 2.96 4.06 -0.52 2.79 -0.44 -1.26 -4.60 119.66 122.66 2kqn s GLN 3 Ca 0.21 0.68 -0.20 0.00 -2.50 0.00 0.00 55.36 53.55 2kqn s GLN 3 Cb -0.16 -3.68 0.06 0.00 -1.64 0.00 0.00 33.01 27.58 2kqn s GLN 3 CO 0.16 -0.56 0.70 -1.64 0.50 0.00 0.00 175.29 174.45 2kqn s MET 4 N 2.81 3.16 -0.36 1.67 -1.94 -1.26 -1.29 119.30 122.09 2kqn s MET 4 Ca 0.32 -0.77 -0.19 0.00 -1.71 0.00 0.00 55.69 53.33 2kqn s MET 4 Cb -0.15 -4.10 0.00 0.00 2.01 0.00 0.00 34.83 32.60 2kqn s MET 4 CO 0.10 -1.30 0.58 0.99 -0.01 0.00 0.00 175.02 175.38 2kqn s THR 5 N 2.94 4.94 -0.05 2.05 2.01 0.48 -4.29 115.64 123.73 2kqn s THR 5 Ca 0.18 0.44 0.02 0.00 0.31 0.00 0.00 61.69 62.64 2kqn s THR 5 Cb -0.18 -4.03 -0.03 0.00 0.01 0.00 0.00 72.50 68.27 2kqn s THR 5 CO 0.13 -0.29 -0.07 -1.58 -0.69 0.00 0.00 174.62 172.12 2kqn s GLN 6 N 2.57 2.68 0.02 4.92 0.74 -1.26 0.52 119.66 129.85 2kqn s GLN 6 Ca 0.22 -0.60 -0.04 0.00 0.05 0.00 0.00 55.36 54.98 2kqn s GLN 6 Cb -0.15 -2.55 -0.01 0.00 1.10 0.00 0.00 33.01 31.40 2kqn s GLN 6 CO 0.14 0.65 0.07 -1.12 -0.55 0.00 0.00 175.29 174.48 2kqn s SER 7 N -0.94 0.17 0.95 6.67 0.01 0.76 -4.36 113.70 116.96 2kqn s SER 7 Ca 0.13 -0.47 -0.15 0.00 1.31 0.00 0.00 55.95 56.78 2kqn s SER 7 Cb -0.11 0.19 0.20 0.00 0.21 0.00 0.00 66.02 66.51 2kqn s SER 7 CO 0.03 -0.43 1.31 -2.16 0.41 0.00 0.00 173.24 172.40 2kqn s PRO 8 N -2.09 0.63 0.28 12.44 0.04 -1.26 -0.81 135.00 144.22 2kqn s PRO 8 Ca -0.10 -0.52 0.02 0.00 0.04 0.00 0.00 61.00 60.44 2kqn s PRO 8 Cb -0.04 -1.88 0.40 0.00 0.04 0.00 0.00 34.50 33.01 2kqn s PRO 8 CO -0.02 -2.40 1.72 0.77 0.04 0.00 0.00 177.00 177.12 2kqn h SER 9 N -1.59 0.53 -3.17 6.66 0.02 -1.80 -3.32 113.55 110.87 2kqn h SER 9 Ca -0.43 -0.17 0.06 0.00 -0.84 0.00 0.00 61.79 60.40 2kqn h SER 9 Cb 1.23 -0.14 -0.26 0.00 0.14 0.00 0.00 62.40 63.37 2kqn h SER 9 CO 0.36 0.75 0.40 -0.94 -1.14 0.00 0.00 176.83 176.26 2kqn s SER 10 N -6.79 -0.50 -0.05 3.07 1.04 -1.26 -0.90 113.70 108.32 2kqn s SER 10 Ca -0.07 0.93 -0.13 0.00 0.48 0.00 0.00 55.95 57.16 2kqn s SER 10 Cb 0.14 0.99 0.02 0.00 0.10 0.00 0.00 66.02 67.27 2kqn s SER 10 CO 0.79 -0.16 0.30 -1.48 0.98 0.00 0.00 173.24 173.68 2kqn s LEU 11 N 0.43 0.88 -0.14 2.42 2.34 -0.55 -4.92 118.68 119.14 2kqn s LEU 11 Ca 0.01 0.25 -0.02 0.00 0.06 0.00 0.00 54.13 54.43 2kqn s LEU 11 Cb -0.05 1.17 -0.02 0.00 -0.56 0.00 0.00 46.19 46.73 2kqn s LEU 11 CO -0.07 -0.33 -0.09 -0.94 -1.06 0.00 0.00 176.35 173.86 2kqn s SER 12 N -0.84 4.33 -0.00 1.48 1.04 -1.26 -1.04 113.70 117.41 2kqn s SER 12 Ca -0.09 -0.25 0.02 0.00 0.48 0.00 0.00 55.95 56.11 2kqn s SER 12 Cb -0.04 -1.68 -0.01 0.00 0.10 0.00 0.00 66.02 64.39 2kqn s SER 12 CO 0.03 0.16 -0.06 0.00 0.98 0.00 0.00 173.24 174.35 2kqn s ALA 13 N 0.39 0.48 0.33 5.32 0.00 0.10 -4.64 121.76 123.74 2kqn s ALA 13 Ca -0.08 -0.29 0.03 0.00 0.00 0.00 0.00 51.96 51.61 2kqn s ALA 13 Cb -0.15 -0.11 -0.02 0.00 0.00 0.00 0.00 23.12 22.84 2kqn s ALA 13 CO 0.04 0.10 0.50 0.45 0.00 0.00 0.00 175.76 176.86 2kqn s SER 14 N -0.26 6.20 -0.29 0.00 0.15 -1.26 -3.34 113.70 114.89 2kqn s SER 14 Ca 0.01 0.24 -0.41 0.00 0.70 0.00 0.00 55.95 56.50 2kqn s SER 14 Cb -0.03 -1.82 -0.16 0.00 -1.71 0.00 0.00 66.02 62.31 2kqn s SER 14 CO -0.00 -0.30 1.74 0.52 1.20 0.00 0.00 173.24 176.40 2kqn n VAL 15 N -1.70 0.30 0.00 4.45 0.31 -1.26 0.12 118.33 120.55 2kqn n VAL 15 Ca -0.05 -0.05 0.00 0.00 -0.01 0.00 0.00 64.34 64.23 2kqn n VAL 15 Cb 0.57 -1.20 0.00 0.00 -0.91 0.00 0.00 33.84 32.30 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 4.21 2.95 3.87 2.92 0.00 -0.36 -4.86 105.19 113.92 2kqn n GLY 16 Ca 0.27 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.98 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 -1.27 6.38 -0.18 1.61 1.01 0.12 -4.49 116.67 119.85 2kqn s ASP 17 Ca 0.00 1.32 -0.08 0.00 0.71 0.00 0.00 52.55 54.50 2kqn s ASP 17 Cb 0.00 -2.41 -0.04 0.00 1.01 0.00 0.00 42.92 41.47 2kqn s ASP 17 CO 0.00 -0.67 0.10 -0.60 0.21 0.00 0.00 175.17 174.21 2kqn s ARG 18 N -4.62 3.95 -0.11 8.23 3.52 -1.25 -0.35 118.95 128.32 2kqn s ARG 18 Ca 0.54 -0.26 -0.00 0.00 -0.13 0.00 0.00 55.73 55.88 2kqn s ARG 18 Cb -0.10 -3.28 -0.02 0.00 -1.56 0.00 0.00 34.95 29.98 2kqn s ARG 18 CO 0.43 0.37 -0.10 0.08 -0.81 0.00 0.00 175.30 175.27 2kqn s VAL 19 N 0.11 3.33 -0.19 7.11 1.01 -0.12 -4.94 120.40 126.72 2kqn s VAL 19 Ca 0.07 -0.58 0.01 0.00 0.00 0.00 0.00 61.98 61.48 2kqn s VAL 19 Cb -0.12 -2.39 0.02 0.00 0.00 0.00 0.00 36.38 33.90 2kqn s VAL 19 CO -0.00 0.54 -0.19 -0.89 0.00 0.00 0.00 175.10 174.56 2kqn s THR 20 N -0.03 2.06 -0.06 3.92 2.01 -1.26 -0.35 115.64 121.92 2kqn s THR 20 Ca -0.02 -1.01 0.06 0.00 0.31 0.00 0.00 61.69 61.03 2kqn s THR 20 Cb -0.14 -1.89 -0.01 0.00 0.01 0.00 0.00 72.50 70.47 2kqn s THR 20 CO 0.04 0.47 -0.24 -0.63 -0.69 0.00 0.00 174.62 173.57 2kqn s ILE 21 N 1.28 2.12 -0.09 1.82 1.01 0.14 -4.69 121.20 122.79 2kqn s ILE 21 Ca 0.03 -1.04 0.04 0.00 0.00 0.00 0.00 60.65 59.69 2kqn s ILE 21 Cb -0.14 -1.78 0.00 0.00 0.01 0.00 0.00 42.46 40.56 2kqn s ILE 21 CO -0.12 0.57 -0.23 -0.89 0.00 0.00 0.00 174.94 174.27 2kqn s THR 22 N -0.12 1.98 -0.08 2.92 2.01 0.01 0.44 115.64 122.79 2kqn s THR 22 Ca -0.05 -0.98 0.04 0.00 0.31 0.00 0.00 61.69 61.02 2kqn s THR 22 Cb -0.14 -1.71 -0.01 0.00 0.01 0.00 0.00 72.50 70.65 2kqn s THR 22 CO 0.04 0.54 -0.22 0.00 -0.69 0.00 0.00 174.62 174.29 2kqn s GLN 24 N -0.03 2.95 -0.01 0.00 -0.21 0.18 -1.22 119.66 121.33 2kqn s GLN 24 Ca -0.07 -0.84 -0.16 0.00 0.02 0.00 0.00 55.36 54.31 2kqn s GLN 24 Cb -0.15 -2.27 -0.06 0.00 1.00 0.00 0.00 33.01 31.53 2kqn s GLN 24 CO 0.05 0.12 0.44 0.00 -2.12 0.00 0.00 175.29 173.78 2kqn s ALA 25 N 0.49 3.65 0.41 6.09 0.00 -0.24 -0.39 121.76 131.77 2kqn s ALA 25 Ca -0.16 -0.18 0.18 0.00 0.00 0.00 0.00 51.96 51.81 2kqn s ALA 25 Cb -0.17 -2.46 1.06 0.00 0.00 0.00 0.00 23.12 21.55 2kqn s ALA 25 CO 0.06 0.40 1.97 1.03 0.00 0.00 0.00 175.76 179.21 2kqn h SER 26 N 4.99 0.00 -4.57 0.00 0.87 -1.51 -3.44 113.55 109.90 2kqn h SER 26 Ca -0.50 0.00 -0.18 0.00 -1.23 0.00 0.00 61.79 59.88 2kqn h SER 26 Cb 1.21 0.00 -0.23 0.00 -0.44 0.00 0.00 62.40 62.94 2kqn h SER 26 CO 0.64 0.22 -0.67 -1.58 -0.53 0.00 0.00 176.83 174.90 2kqn s GLN 27 N -4.36 0.24 0.31 2.24 0.74 -1.26 -4.92 119.66 112.65 2kqn s GLN 27 Ca -0.03 -0.37 -0.29 0.00 0.05 0.00 0.00 55.36 54.71 2kqn s GLN 27 Cb 0.14 0.09 -0.10 0.00 1.10 0.00 0.00 33.01 34.24 2kqn s GLN 27 CO 0.67 -0.04 1.38 -0.51 -0.55 0.00 0.00 175.29 176.24 2kqn s ASP 28 N -0.97 6.66 -0.17 6.67 1.11 -1.26 -4.80 116.67 123.92 2kqn s ASP 28 Ca -0.11 2.74 0.16 0.00 0.18 0.00 0.00 52.55 55.51 2kqn s ASP 28 Cb -0.07 -2.64 0.38 0.00 1.07 0.00 0.00 42.92 41.66 2kqn s ASP 28 CO -0.00 -0.65 1.23 2.30 1.18 0.00 0.00 175.17 179.23 2kqn n ILE 29 N 1.32 2.09 0.00 0.77 -5.35 -0.96 -4.98 119.36 112.25 2kqn n ILE 29 Ca 0.03 -2.53 0.00 0.00 -0.27 0.00 0.00 62.75 59.97 2kqn n ILE 29 Cb 0.41 -0.25 0.00 0.00 -1.74 0.00 0.00 39.64 38.06 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 -1.20 0.00 0.00 7.28 5.15 -1.26 -1.31 115.26 123.92 2kqn n ASN 30 Ca 0.19 0.00 0.00 0.00 -0.60 0.00 0.00 54.58 54.17 2kqn n ASN 30 Cb 0.72 0.00 0.00 0.00 -0.53 0.00 0.00 39.78 39.97 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 1.14 0.00 -4.57 1.20 6.94 -1.26 -1.68 115.26 117.03 2kqn n ASN 31 Ca 0.00 0.00 -0.29 0.00 -0.02 0.00 0.00 54.58 54.27 2kqn n ASN 31 Cb 0.00 0.00 -0.05 0.00 -2.36 0.00 0.00 39.78 37.37 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 1.97 0.04 -2.53 2.02 -0.43 -4.14 117.35 114.29 2kqn s TYR 32 Ca 0.00 0.32 0.05 0.00 -0.37 0.00 0.00 57.07 57.07 2kqn s TYR 32 Cb 0.00 -4.14 -0.02 0.00 -0.40 0.00 0.00 41.96 37.40 2kqn s TYR 32 CO 0.00 -1.63 -0.14 -1.17 -1.57 0.00 0.00 175.55 171.05 2kqn s LEU 33 N 9.50 2.18 0.07 -1.29 1.98 -0.14 -2.01 118.68 128.96 2kqn s LEU 33 Ca 0.66 -0.46 0.06 0.00 -2.89 0.00 0.00 54.13 51.50 2kqn s LEU 33 Cb -0.04 -0.58 -0.03 0.00 0.66 0.00 0.00 46.19 46.21 2kqn s LEU 33 CO 0.02 0.02 -0.15 -0.63 -1.89 0.00 0.00 176.35 173.72 2kqn s ILE 34 N -0.88 1.22 -0.09 6.68 1.01 0.92 -1.71 121.20 128.34 2kqn s ILE 34 Ca 0.01 -1.27 0.04 0.00 0.00 0.00 0.00 60.65 59.42 2kqn s ILE 34 Cb -0.08 -1.14 -0.01 0.00 0.01 0.00 0.00 42.46 41.24 2kqn s ILE 34 CO 0.01 -0.14 -0.21 0.26 0.00 0.00 0.00 174.94 174.86 2kqn s TRP 35 N -1.15 2.59 0.18 3.97 0.52 0.17 -0.60 118.94 124.61 2kqn s TRP 35 Ca 0.00 -0.83 0.06 0.00 0.02 0.00 0.00 56.10 55.36 2kqn s TRP 35 Cb -0.09 -1.71 -0.05 0.00 -1.15 0.00 0.00 33.47 30.47 2kqn s TRP 35 CO 0.02 -0.29 -0.13 0.71 0.02 0.00 0.00 176.95 177.29 2kqn s TYR 36 N 0.16 1.52 -0.06 -1.98 1.51 -0.26 -0.49 117.35 117.74 2kqn s TYR 36 Ca -0.12 -0.64 0.04 0.00 -1.01 0.00 0.00 57.07 55.34 2kqn s TYR 36 Cb -0.16 -0.73 0.00 0.00 -0.11 0.00 0.00 41.96 40.96 2kqn s TYR 36 CO 0.06 0.24 -0.19 1.14 -1.11 0.00 0.00 175.55 175.69 2kqn s GLN 37 N -3.62 2.20 -0.50 -0.62 -2.07 0.02 -1.11 119.66 113.96 2kqn s GLN 37 Ca 0.19 -0.68 -0.17 0.00 -1.82 0.00 0.00 55.36 52.88 2kqn s GLN 37 Cb 0.00 -1.80 0.07 0.00 -1.09 0.00 0.00 33.01 30.19 2kqn s GLN 37 CO 0.04 0.20 0.53 -1.14 -1.32 0.00 0.00 175.29 173.60 2kqn s GLN 38 N 0.22 3.05 -0.30 9.60 2.00 0.16 -0.34 119.66 134.06 2kqn s GLN 38 Ca -0.10 -1.16 -0.12 0.00 -2.00 0.00 0.00 55.36 51.98 2kqn s GLN 38 Cb -0.14 -4.14 -0.04 0.00 0.80 0.00 0.00 33.01 29.49 2kqn s GLN 38 CO 0.04 -1.18 0.23 0.15 -0.50 0.00 0.00 175.29 174.04 2kqn s LYS 39 N 2.18 3.84 -0.34 1.67 1.02 -1.26 -3.27 119.74 123.58 2kqn s LYS 39 Ca 0.10 -0.36 -0.38 0.00 0.02 0.00 0.00 55.97 55.35 2kqn s LYS 39 Cb -0.22 -3.70 -0.14 0.00 -0.52 0.00 0.00 37.83 33.25 2kqn s LYS 39 CO 0.09 -0.27 2.04 -2.30 -0.92 0.00 0.00 175.35 173.99 2kqn n PRO 40 N 5.12 1.00 0.00 -1.68 -0.02 -1.26 -1.55 135.00 136.61 2kqn n PRO 40 Ca -0.13 0.31 0.00 0.00 -2.02 0.00 0.00 63.50 61.66 2kqn n PRO 40 Cb 0.51 -2.24 0.00 0.00 -0.02 0.00 0.00 33.50 31.75 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 5.91 1.39 3.35 -1.23 0.00 -1.26 -5.09 105.19 108.26 2kqn n GLY 41 Ca 0.38 0.00 -0.18 0.00 0.00 0.00 0.00 46.02 46.22 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 1.39 0.89 1.61 -2.07 -0.59 -5.15 119.66 115.74 2kqn s GLN 42 Ca 0.00 -1.71 -0.11 0.00 -1.82 0.00 0.00 55.36 51.71 2kqn s GLN 42 Cb 0.00 -0.66 0.12 0.00 -1.09 0.00 0.00 33.01 31.38 2kqn s GLN 42 CO 0.00 -0.11 1.09 0.00 -1.32 0.00 0.00 175.29 174.96 2kqn s ALA 43 N -3.39 1.57 0.25 2.60 0.00 -1.26 -4.42 121.76 117.11 2kqn s ALA 43 Ca 0.30 0.05 -0.31 0.00 0.00 0.00 0.00 51.96 51.99 2kqn s ALA 43 Cb 0.06 -3.23 -0.12 0.00 0.00 0.00 0.00 23.12 19.83 2kqn s ALA 43 CO 0.10 -2.35 1.60 -2.30 0.00 0.00 0.00 175.76 172.80 2kqn n PRO 44 N -3.90 2.56 -3.11 0.00 -0.02 -1.26 -4.60 135.00 124.67 2kqn n PRO 44 Ca 0.08 0.92 -0.40 0.00 -2.02 0.00 0.00 63.50 62.07 2kqn n PRO 44 Cb 0.54 -2.69 -0.05 0.00 -0.02 0.00 0.00 33.50 31.28 2kqn n PRO 44 CO 0.00 0.00 0.00 0.21 1.98 0.00 0.00 175.50 177.69 2kqn s LYS 45 N 0.07 4.29 -0.11 -0.52 2.47 0.54 -4.82 119.74 121.67 2kqn s LYS 45 Ca 0.69 0.69 -0.30 0.00 -1.56 0.00 0.00 55.97 55.50 2kqn s LYS 45 Cb -0.54 -3.53 -0.03 0.00 -1.46 0.00 0.00 37.83 32.27 2kqn s LYS 45 CO 0.43 -0.13 1.28 -1.17 0.16 0.00 0.00 175.35 175.93 2kqn s LEU 46 N 1.51 4.23 -0.21 5.43 0.20 -1.26 -0.80 118.68 127.78 2kqn s LEU 46 Ca 0.31 1.80 -0.12 0.00 0.69 0.00 0.00 54.13 56.82 2kqn s LEU 46 Cb -0.16 -3.55 -0.09 0.00 -0.43 0.00 0.00 46.19 41.96 2kqn s LEU 46 CO 0.12 -0.72 -0.28 0.18 -0.29 0.00 0.00 176.35 175.36 2kqn n LEU 47 N 6.14 1.58 -4.11 -0.68 4.77 0.36 -4.81 117.00 120.25 2kqn n LEU 47 Ca 0.13 0.27 -0.23 0.00 -0.03 0.00 0.00 56.01 56.15 2kqn n LEU 47 Cb 0.45 -0.65 -0.15 0.00 -2.33 0.00 0.00 43.42 40.74 2kqn n LEU 47 CO 0.56 0.35 -0.48 -0.63 -1.33 0.00 0.00 177.39 175.86 2kqn s ILE 48 N -2.45 1.18 0.43 -0.08 1.01 -1.14 -1.27 121.20 118.88 2kqn s ILE 48 Ca -0.30 -0.62 0.04 0.00 0.00 0.00 0.00 60.65 59.77 2kqn s ILE 48 Cb 0.11 -0.99 -0.02 0.00 0.01 0.00 0.00 42.46 41.57 2kqn s ILE 48 CO 0.38 0.34 0.14 -0.72 0.00 0.00 0.00 174.94 175.08 2kqn s TYR 49 N -0.23 1.78 0.00 3.97 -0.85 0.15 0.43 117.35 122.59 2kqn s TYR 49 Ca 0.03 -1.34 0.00 0.00 -0.52 0.00 0.00 57.07 55.24 2kqn s TYR 49 Cb -0.07 -1.15 0.00 0.00 0.38 0.00 0.00 41.96 41.13 2kqn s TYR 49 CO -0.00 -0.35 0.00 -3.47 -1.52 0.00 0.00 175.55 170.21 2kqn n ASP 50 N -1.45 0.00 0.00 -0.18 -0.08 -0.80 -0.85 116.55 113.20 2kqn n ASP 50 Ca -0.06 0.00 0.00 0.00 -1.51 0.00 0.00 54.79 53.22 2kqn n ASP 50 Cb 0.65 0.00 0.00 0.00 2.34 0.00 0.00 41.12 44.11 2kqn n ASP 50 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 2kqn n ALA 51 N 0.00 0.00 -0.80 -1.67 0.00 -0.69 -0.97 120.51 116.38 2kqn n ALA 51 Ca 0.00 0.00 0.01 0.00 0.00 0.00 0.00 53.44 53.45 2kqn n ALA 51 Cb 0.00 0.00 0.01 0.00 0.00 0.00 0.00 19.45 19.46 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 0.00 0.80 -4.51 0.00 2.88 -1.17 -3.74 113.62 107.88 2kqn n SER 52 Ca 0.00 -1.57 -0.35 0.00 -1.33 0.00 0.00 58.87 55.62 2kqn n SER 52 Cb 0.00 -0.05 -0.12 0.00 -0.75 0.00 0.00 64.21 63.29 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 -0.52 4.32 0.13 2.46 2.01 -0.03 -4.57 115.64 119.44 2kqn s THR 53 Ca 0.02 -0.19 -0.28 0.00 0.31 0.00 0.00 61.69 61.55 2kqn s THR 53 Cb 0.02 -2.97 -0.07 0.00 0.01 0.00 0.00 72.50 69.49 2kqn s THR 53 CO 0.00 0.42 0.89 -0.76 -0.69 0.00 0.00 174.62 174.48 2kqn s LEU 54 N 0.93 4.53 0.50 4.42 1.02 -1.26 0.29 118.68 129.10 2kqn s LEU 54 Ca 0.03 1.73 -0.21 0.00 0.02 0.00 0.00 54.13 55.70 2kqn s LEU 54 Cb -0.14 -3.48 -0.07 0.00 0.02 0.00 0.00 46.19 42.52 2kqn s LEU 54 CO 0.02 0.03 1.14 -0.70 0.02 0.00 0.00 176.35 176.86 2kqn s GLU 55 N -0.38 3.60 -0.10 1.70 -6.30 -0.40 -4.90 118.70 111.92 2kqn s GLU 55 Ca 0.43 1.67 -0.29 0.00 -2.50 0.00 0.00 54.97 54.27 2kqn s GLU 55 Cb -0.23 -2.22 -0.04 0.00 0.00 0.00 0.00 34.13 31.64 2kqn s GLU 55 CO 0.28 -0.66 1.60 0.99 0.02 0.00 0.00 175.26 177.49 2kqn s THR 56 N -1.67 3.70 0.00 -1.70 2.01 -1.26 -1.42 115.64 115.29 2kqn s THR 56 Ca 0.68 0.83 0.00 0.00 0.31 0.00 0.00 61.69 63.51 2kqn s THR 56 Cb -0.26 -3.57 0.00 0.00 0.01 0.00 0.00 72.50 68.68 2kqn s THR 56 CO 0.30 -0.11 0.00 0.61 -0.69 0.00 0.00 174.62 174.73 2kqn n GLY 57 N 4.17 1.77 3.62 4.40 0.00 -1.26 -5.08 105.19 112.81 2kqn n GLY 57 Ca 0.17 0.00 -0.42 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 -2.08 4.72 0.55 1.61 1.01 -0.51 -5.03 120.40 120.66 2kqn s VAL 58 Ca 0.00 1.38 -0.20 0.00 0.00 0.00 0.00 61.98 63.16 2kqn s VAL 58 Cb 0.00 -4.22 -0.06 0.00 0.00 0.00 0.00 36.38 32.09 2kqn s VAL 58 CO 0.00 -0.30 1.00 -2.65 0.00 0.00 0.00 175.10 173.15 2kqn n PRO 59 N 6.37 1.09 0.00 2.72 -0.02 -1.26 -4.84 135.00 139.06 2kqn n PRO 59 Ca 0.06 0.41 0.04 0.00 -2.02 0.00 0.00 63.50 61.99 2kqn n PRO 59 Cb 0.48 -2.17 0.19 0.00 -0.02 0.00 0.00 33.50 31.97 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 -0.43 0.00 -0.29 2.55 7.64 -1.26 -2.07 113.62 119.77 2kqn n SER 60 Ca 0.12 0.24 0.05 0.00 1.01 0.00 0.00 58.87 60.29 2kqn n SER 60 Cb 0.45 -0.33 0.27 0.00 -1.01 0.00 0.00 64.21 63.59 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 0.93 -6.69 1.43 2.47 -1.93 -3.42 114.38 107.16 2kqn h ARG 61 Ca 0.00 -0.06 -0.50 0.00 -1.26 0.00 0.00 59.98 58.17 2kqn h ARG 61 Cb 0.08 -0.21 -0.03 0.00 -1.65 0.00 0.00 29.97 28.17 2kqn h ARG 61 CO 0.00 0.61 0.22 -0.06 0.56 0.00 0.00 179.97 181.30 2kqn s PHE 62 N -5.85 3.71 -0.06 3.04 0.08 -0.88 0.22 117.98 118.23 2kqn s PHE 62 Ca -0.11 1.59 -0.08 0.00 0.12 0.00 0.00 56.93 58.45 2kqn s PHE 62 Cb 0.20 -2.77 0.02 0.00 -0.57 0.00 0.00 43.02 39.90 2kqn s PHE 62 CO 0.79 0.31 0.21 -1.54 -0.10 0.00 0.00 175.22 174.90 2kqn s SER 63 N -1.57 -0.18 -0.03 1.36 1.04 0.56 -4.95 113.70 109.94 2kqn s SER 63 Ca 0.45 0.31 0.06 0.00 0.48 0.00 0.00 55.95 57.25 2kqn s SER 63 Cb -0.18 0.40 -0.01 0.00 0.10 0.00 0.00 66.02 66.32 2kqn s SER 63 CO 0.23 -0.15 -0.22 -0.83 0.98 0.00 0.00 173.24 173.25 2kqn s GLY 64 N -0.24 1.10 -0.05 7.32 0.00 -1.26 -0.10 107.32 114.11 2kqn s GLY 64 Ca -0.03 -0.95 -0.02 0.00 0.00 0.00 0.00 44.72 43.72 2kqn s GLY 64 CO 0.01 -0.73 0.10 -1.35 0.00 0.00 0.00 173.10 171.13 2kqn s SER 65 N -0.41 0.11 0.00 1.64 1.04 0.74 -4.26 113.70 112.56 2kqn s SER 65 Ca 0.05 0.19 0.00 0.00 0.48 0.00 0.00 55.95 56.67 2kqn s SER 65 Cb -0.10 0.07 0.00 0.00 0.10 0.00 0.00 66.02 66.10 2kqn s SER 65 CO 0.00 -0.16 0.00 0.61 0.98 0.00 0.00 173.24 174.68 2kqn n GLY 66 N 4.36 1.55 3.61 7.32 0.00 -1.26 0.45 105.19 121.22 2kqn n GLY 66 Ca -0.24 -1.69 -0.12 0.00 0.00 0.00 0.00 46.02 43.97 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 -0.55 0.00 1.61 1.04 -0.68 -4.66 113.70 110.46 2kqn s SER 67 Ca 0.00 0.92 0.00 0.00 0.48 0.00 0.00 55.95 57.35 2kqn s SER 67 Cb 0.00 0.88 0.00 0.00 0.10 0.00 0.00 66.02 67.00 2kqn s SER 67 CO 0.00 -0.28 0.00 0.61 0.98 0.00 0.00 173.24 174.55 2kqn n GLY 68 N 1.88 2.33 0.00 7.32 0.00 -0.68 -3.24 105.19 112.82 2kqn n GLY 68 Ca -0.13 0.05 -0.00 0.00 0.00 0.00 0.00 46.02 45.93 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 0.05 -3.78 2.61 -2.24 -1.26 -2.26 114.28 107.39 2kqn n THR 69 Ca 0.00 -0.03 -0.36 0.00 -2.27 0.00 0.00 64.05 61.39 2kqn n THR 69 Cb 0.00 -0.91 -0.13 0.00 -2.10 0.00 0.00 70.33 67.19 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 -2.02 3.60 -0.06 -0.78 2.02 -1.20 -1.08 118.70 119.18 2kqn s GLU 70 Ca -0.00 -0.51 0.01 0.00 0.02 0.00 0.00 54.97 54.49 2kqn s GLU 70 Cb 0.00 -3.27 0.02 0.00 0.10 0.00 0.00 34.13 30.98 2kqn s GLU 70 CO 0.03 -0.19 -0.08 -0.06 0.02 0.00 0.00 175.26 174.97 2kqn s PHE 71 N 1.59 1.08 -0.15 1.61 0.08 -0.36 -1.69 117.98 120.16 2kqn s PHE 71 Ca 0.06 -0.38 0.02 0.00 0.12 0.00 0.00 56.93 56.76 2kqn s PHE 71 Cb -0.15 -0.87 0.01 0.00 -0.57 0.00 0.00 43.02 41.44 2kqn s PHE 71 CO 0.02 -0.25 -0.21 0.99 -0.10 0.00 0.00 175.22 175.67 2kqn s THR 72 N 0.89 2.10 -0.21 0.64 2.01 0.17 -0.27 115.64 120.98 2kqn s THR 72 Ca -0.11 -0.96 -0.07 0.00 0.31 0.00 0.00 61.69 60.86 2kqn s THR 72 Cb -0.15 -1.85 -0.04 0.00 0.01 0.00 0.00 72.50 70.48 2kqn s THR 72 CO 0.01 0.55 0.07 0.12 -0.69 0.00 0.00 174.62 174.67 2kqn s PHE 73 N 0.90 3.18 -0.08 4.92 5.36 0.17 -0.19 117.98 132.24 2kqn s PHE 73 Ca -0.05 -0.10 0.01 0.00 -0.96 0.00 0.00 56.93 55.84 2kqn s PHE 73 Cb -0.15 -2.15 0.02 0.00 -0.34 0.00 0.00 43.02 40.40 2kqn s PHE 73 CO -0.04 -0.04 -0.09 0.99 -1.46 0.00 0.00 175.22 174.58 2kqn s THR 74 N 0.88 0.99 -0.36 0.12 2.01 0.86 0.24 115.64 120.38 2kqn s THR 74 Ca 0.04 -0.34 -0.14 0.00 0.31 0.00 0.00 61.69 61.56 2kqn s THR 74 Cb -0.14 -0.97 -0.01 0.00 0.01 0.00 0.00 72.50 71.40 2kqn s THR 74 CO 0.03 0.34 0.29 -0.63 -0.69 0.00 0.00 174.62 173.96 2kqn s ILE 75 N 1.16 5.24 0.23 1.82 1.01 0.53 -0.32 121.20 130.86 2kqn s ILE 75 Ca -0.06 -0.27 -0.08 0.00 0.00 0.00 0.00 60.65 60.24 2kqn s ILE 75 Cb -0.14 -3.81 0.20 0.00 0.01 0.00 0.00 42.46 38.72 2kqn s ILE 75 CO -0.02 -0.13 1.89 -1.28 0.00 0.00 0.00 174.94 175.40 2kqn h SER 76 N 8.53 0.94 -2.46 3.58 0.87 -0.52 -0.28 113.55 124.21 2kqn h SER 76 Ca -0.30 -0.02 -0.15 0.00 -1.23 0.00 0.00 61.79 60.09 2kqn h SER 76 Cb 1.14 -0.22 -0.30 0.00 -0.44 0.00 0.00 62.40 62.58 2kqn h SER 76 CO 0.68 0.66 -0.45 -0.44 -0.53 0.00 0.00 176.83 176.75 2kqn s SER 77 N -5.92 0.12 0.45 6.23 0.01 -1.25 -3.87 113.70 109.47 2kqn s SER 77 Ca -0.13 0.64 -0.25 0.00 1.31 0.00 0.00 55.95 57.51 2kqn s SER 77 Cb 0.17 1.06 -0.09 0.00 0.21 0.00 0.00 66.02 67.37 2kqn s SER 77 CO 0.79 -0.26 1.39 -0.11 0.41 0.00 0.00 173.24 175.47 2kqn n LEU 78 N 5.37 4.88 -4.41 2.44 -0.00 0.52 -4.65 117.00 121.15 2kqn n LEU 78 Ca -0.07 1.11 -0.29 0.00 -0.00 0.00 0.00 56.01 56.77 2kqn n LEU 78 Cb 0.50 -1.58 -0.13 0.00 -0.00 0.00 0.00 43.42 42.21 2kqn n LEU 78 CO 0.03 -0.29 -0.55 -1.10 -0.00 0.00 0.00 177.39 175.47 2kqn s GLN 79 N -2.41 1.49 0.22 1.96 -1.52 -1.26 -1.22 119.66 116.92 2kqn s GLN 79 Ca 0.62 -1.32 -0.07 0.00 -1.95 0.00 0.00 55.36 52.63 2kqn s GLN 79 Cb -0.46 -1.94 0.35 0.00 -0.22 0.00 0.00 33.01 30.73 2kqn s GLN 79 CO 0.57 0.45 1.75 -1.35 -0.25 0.00 0.00 175.29 176.46 2kqn h PRO 80 N 3.82 0.44 0.00 2.91 0.11 -1.98 -0.32 132.00 136.99 2kqn h PRO 80 Ca -0.51 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 65.58 2kqn h PRO 80 Cb 1.17 -0.10 0.00 0.00 0.11 0.00 0.00 31.00 32.18 2kqn h PRO 80 CO 0.41 0.29 0.00 0.39 -0.21 0.00 0.00 178.00 178.88 2kqn n GLU 81 N -4.97 0.57 -0.44 1.05 1.02 -1.26 -3.17 120.64 113.44 2kqn n GLU 81 Ca 0.11 0.00 0.08 0.00 -0.02 0.00 0.00 57.16 57.34 2kqn n GLU 81 Cb 0.32 -1.50 0.28 0.00 -0.02 0.00 0.00 31.44 30.52 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 -1.21 3.73 -4.67 1.62 8.00 -0.13 -4.78 116.55 119.11 2kqn n ASP 82 Ca 0.17 -2.24 -0.43 0.00 0.71 0.00 0.00 54.79 53.00 2kqn n ASP 82 Cb 0.20 -0.48 -0.02 0.00 -0.02 0.00 0.00 41.12 40.80 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 -1.39 4.19 0.00 0.64 0.20 -1.19 -4.88 118.68 116.24 2kqn s LEU 83 Ca 0.41 1.67 -0.26 0.00 0.69 0.00 0.00 54.13 56.65 2kqn s LEU 83 Cb 0.25 -3.54 0.09 0.00 -0.43 0.00 0.00 46.19 42.55 2kqn s LEU 83 CO 0.23 -0.71 1.20 0.00 -0.29 0.00 0.00 176.35 176.77 2kqn n ALA 84 N 6.28 -3.31 -2.74 5.97 0.00 -1.22 -4.96 120.51 120.53 2kqn n ALA 84 Ca 0.13 -0.87 -0.36 0.00 0.00 0.00 0.00 53.44 52.35 2kqn n ALA 84 Cb 0.45 0.28 -0.07 0.00 0.00 0.00 0.00 19.45 20.11 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 -2.03 5.38 -0.04 0.00 2.01 -1.20 -1.41 115.64 118.35 2kqn s THR 85 Ca 0.28 0.32 -0.01 0.00 0.31 0.00 0.00 61.69 62.59 2kqn s THR 85 Cb -0.01 -3.52 -0.04 0.00 0.01 0.00 0.00 72.50 68.94 2kqn s THR 85 CO 0.01 0.45 0.04 -0.31 -0.69 0.00 0.00 174.62 174.12 2kqn s TYR 86 N 0.15 3.21 0.20 4.92 1.51 -0.91 0.38 117.35 126.81 2kqn s TYR 86 Ca 0.12 0.19 0.03 0.00 -1.01 0.00 0.00 57.07 56.41 2kqn s TYR 86 Cb -0.12 -1.75 -0.05 0.00 -0.11 0.00 0.00 41.96 39.93 2kqn s TYR 86 CO 0.01 0.51 -0.02 0.71 -1.11 0.00 0.00 175.55 175.65 2kqn s TYR 87 N -1.05 1.44 -0.03 2.71 1.51 -0.27 -4.11 117.35 117.55 2kqn s TYR 87 Ca 0.18 -0.91 0.04 0.00 -1.01 0.00 0.00 57.07 55.37 2kqn s TYR 87 Cb -0.12 -0.81 -0.00 0.00 -0.11 0.00 0.00 41.96 40.92 2kqn s TYR 87 CO 0.08 -0.05 -0.15 0.00 -1.11 0.00 0.00 175.55 174.32 2kqn s GLN 89 N -0.01 0.06 0.05 0.00 2.00 0.23 0.63 119.66 122.62 2kqn s GLN 89 Ca -0.02 0.19 0.01 0.00 -2.00 0.00 0.00 55.36 53.55 2kqn s GLN 89 Cb -0.10 -0.37 -0.04 0.00 0.80 0.00 0.00 33.01 33.30 2kqn s GLN 89 CO 0.01 -0.19 0.13 1.14 -0.50 0.00 0.00 175.29 175.88 2kqn s GLN 90 N 1.27 3.14 -0.13 1.67 1.03 -1.24 -0.06 119.66 125.34 2kqn s GLN 90 Ca -0.06 -0.54 0.15 0.00 0.04 0.00 0.00 55.36 54.94 2kqn s GLN 90 Cb -0.13 -2.88 0.38 0.00 0.03 0.00 0.00 33.01 30.40 2kqn s GLN 90 CO -0.03 0.60 1.18 2.48 -2.54 0.00 0.00 175.29 176.99 2kqn n TYR 91 N 0.58 0.00 -0.06 9.60 4.11 -0.85 -4.51 117.16 126.03 2kqn n TYR 91 Ca -0.08 -1.09 -0.22 0.00 -0.00 0.00 0.00 57.90 56.51 2kqn n TYR 91 Cb 0.52 -0.20 -0.13 0.00 -0.00 0.00 0.00 39.34 39.53 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 0.78 0.17 -3.72 9.48 3.58 -1.86 -3.48 116.42 121.38 2kqn h ASP 92 Ca -0.05 -0.68 -0.33 0.00 0.42 0.00 0.00 57.03 56.38 2kqn h ASP 92 Cb 1.24 -0.05 -0.31 0.00 1.72 0.00 0.00 39.33 41.93 2kqn h ASP 92 CO 0.02 1.62 -0.75 0.21 -2.88 0.00 0.00 179.24 177.46 2kqn s ASN 93 N -6.93 0.55 0.29 2.28 3.84 -1.26 -5.12 114.94 108.59 2kqn s ASN 93 Ca -0.26 -0.07 -0.20 0.00 0.21 0.00 0.00 52.86 52.54 2kqn s ASN 93 Cb 0.06 -0.16 -0.09 0.00 -0.55 0.00 0.00 41.25 40.51 2kqn s ASN 93 CO 0.66 -0.00 0.79 -0.76 -2.79 0.00 0.00 177.10 175.00 2kqn s LEU 94 N 0.34 4.22 0.62 3.21 1.43 -1.26 -4.01 118.68 123.23 2kqn s LEU 94 Ca -0.04 1.48 -0.16 0.00 -1.03 0.00 0.00 54.13 54.39 2kqn s LEU 94 Cb -0.07 -3.90 -0.02 0.00 0.03 0.00 0.00 46.19 42.23 2kqn s LEU 94 CO -0.00 -0.09 1.09 -2.16 0.23 0.00 0.00 176.35 175.41 2kqn s PRO 95 N -2.39 3.08 -0.10 1.29 0.04 -1.26 -4.92 135.00 130.74 2kqn s PRO 95 Ca 0.49 1.34 -0.19 0.00 0.04 0.00 0.00 61.00 62.68 2kqn s PRO 95 Cb -0.14 -1.99 -0.04 0.00 0.04 0.00 0.00 34.50 32.36 2kqn s PRO 95 CO 0.20 -1.02 0.52 0.71 0.04 0.00 0.00 177.00 177.45 2kqn s TYR 96 N -2.32 3.54 -0.00 0.56 2.02 -1.26 -4.61 117.35 115.28 2kqn s TYR 96 Ca 0.66 0.98 0.08 0.00 -0.37 0.00 0.00 57.07 58.42 2kqn s TYR 96 Cb -0.19 -2.59 -0.02 0.00 -0.40 0.00 0.00 41.96 38.75 2kqn s TYR 96 CO 0.38 0.18 -0.23 0.95 -1.57 0.00 0.00 175.55 175.25 2kqn s THR 97 N 0.55 2.32 -0.10 -0.71 -4.23 -1.26 -5.00 115.64 107.20 2kqn s THR 97 Ca 0.28 -1.13 -0.09 0.00 -1.18 0.00 0.00 61.69 59.57 2kqn s THR 97 Cb -0.16 -1.86 -0.04 0.00 1.34 0.00 0.00 72.50 71.77 2kqn s THR 97 CO 0.12 0.50 0.21 -0.36 -0.54 0.00 0.00 174.62 174.55 2kqn s PHE 98 N -0.71 3.61 -0.50 3.99 0.08 -1.26 -3.69 117.98 119.49 2kqn s PHE 98 Ca 0.11 0.62 -0.19 0.00 0.12 0.00 0.00 56.93 57.59 2kqn s PHE 98 Cb -0.10 -2.05 0.06 0.00 -0.57 0.00 0.00 43.02 40.35 2kqn s PHE 98 CO 0.01 0.66 0.62 0.20 -0.10 0.00 0.00 175.22 176.61 2kqn s GLY 99 N -0.87 1.78 -0.13 4.36 0.00 0.21 -4.81 107.32 107.87 2kqn s GLY 99 Ca 0.17 -1.75 0.16 0.00 0.00 0.00 0.00 44.72 43.30 2kqn s GLY 99 CO 0.06 1.46 1.59 0.61 0.00 0.00 0.00 173.10 176.81 2kqn n GLN 100 N 6.13 3.75 0.00 2.90 0.00 -1.26 -2.36 117.38 126.53 2kqn n GLN 100 Ca -0.07 -2.72 0.06 0.00 0.00 0.00 0.00 57.00 54.27 2kqn n GLN 100 Cb 0.45 -1.92 0.37 0.00 0.00 0.00 0.00 30.24 29.14 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 1.01 -0.62 2.76 2.61 0.00 -1.26 -4.64 105.19 105.05 2kqn n GLY 101 Ca 0.24 -0.08 -0.19 0.00 0.00 0.00 0.00 46.02 45.99 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 0.13 -0.13 2.61 2.01 -1.25 -3.01 115.64 114.00 2kqn s THR 102 Ca 0.19 0.21 0.00 0.00 0.31 0.00 0.00 61.69 62.40 2kqn s THR 102 Cb 0.09 -0.29 -0.01 0.00 0.01 0.00 0.00 72.50 72.29 2kqn s THR 102 CO 0.15 0.18 -0.15 -0.75 -0.69 0.00 0.00 174.62 173.36 2kqn s LYS 103 N 1.62 3.31 -0.09 4.92 2.36 -0.08 -2.15 119.74 129.64 2kqn s LYS 103 Ca -0.01 -0.72 -0.03 0.00 -2.55 0.00 0.00 55.97 52.65 2kqn s LYS 103 Cb -0.13 -2.59 -0.04 0.00 -1.05 0.00 0.00 37.83 34.03 2kqn s LYS 103 CO -0.03 0.17 0.04 -1.17 1.55 0.00 0.00 175.35 175.91 2kqn s LEU 104 N 0.44 3.81 0.28 5.43 2.96 -0.50 -1.48 118.68 129.63 2kqn s LEU 104 Ca -0.11 0.23 0.02 0.00 -0.22 0.00 0.00 54.13 54.05 2kqn s LEU 104 Cb -0.16 -1.91 -0.05 0.00 0.50 0.00 0.00 46.19 44.56 2kqn s LEU 104 CO 0.05 0.38 0.09 -1.61 -1.32 0.00 0.00 176.35 173.94 2kqn s GLU 105 N -0.98 1.48 -0.13 1.98 2.02 -0.21 -3.45 118.70 119.41 2kqn s GLU 105 Ca 0.14 -1.81 -0.01 0.00 0.02 0.00 0.00 54.97 53.31 2kqn s GLU 105 Cb -0.12 -0.40 -0.02 0.00 0.10 0.00 0.00 34.13 33.69 2kqn s GLU 105 CO 0.04 -0.28 -0.08 0.42 0.02 0.00 0.00 175.26 175.38 2kqn s ILE 106 N -3.64 3.56 -0.05 -1.63 1.01 -1.24 0.00 121.20 119.21 2kqn s ILE 106 Ca 0.37 -0.49 -0.30 0.00 0.00 0.00 0.00 60.65 60.23 2kqn s ILE 106 Cb 0.08 -2.52 -0.05 0.00 0.01 0.00 0.00 42.46 39.99 2kqn s ILE 106 CO 0.14 0.53 1.44 -0.54 0.00 0.00 0.00 174.94 176.51 2kqn s LYS 107 N 0.11 4.25 0.00 2.79 1.02 -1.21 -4.80 119.74 121.90 2kqn s LYS 107 Ca -0.03 1.96 0.24 0.00 0.02 0.00 0.00 55.97 58.16 2kqn s LYS 107 Cb -0.14 -3.72 0.19 0.00 -0.52 0.00 0.00 37.83 33.64 2kqn s LYS 107 CO 0.04 -0.67 1.25 2.89 -0.92 0.00 0.00 175.35 177.94