#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 4.93 -0.14 2.12 1.01 -1.26 -4.54 121.20 123.31 2kqn s ILE 2 Ca 0.00 -1.07 -0.18 0.00 0.00 0.00 0.00 60.65 59.40 2kqn s ILE 2 Cb 0.00 -3.91 -0.04 0.00 0.01 0.00 0.00 42.46 38.52 2kqn s ILE 2 CO 0.00 -0.49 0.47 -1.58 0.00 0.00 0.00 174.94 173.34 2kqn s GLN 3 N 1.59 4.30 -0.46 2.79 0.74 -1.26 -4.37 119.66 122.99 2kqn s GLN 3 Ca 0.04 0.40 -0.17 0.00 0.05 0.00 0.00 55.36 55.68 2kqn s GLN 3 Cb -0.23 -3.47 0.04 0.00 1.10 0.00 0.00 33.01 30.46 2kqn s GLN 3 CO 0.06 0.09 0.48 -1.64 -0.55 0.00 0.00 175.29 173.73 2kqn s MET 4 N 0.85 3.07 -0.16 1.67 -1.94 -1.26 -0.97 119.30 120.57 2kqn s MET 4 Ca 0.24 -0.93 -0.15 0.00 -1.71 0.00 0.00 55.69 53.14 2kqn s MET 4 Cb -0.15 -4.04 -0.04 0.00 2.01 0.00 0.00 34.83 32.61 2kqn s MET 4 CO 0.10 -0.99 0.35 0.99 -0.01 0.00 0.00 175.02 175.46 2kqn s THR 5 N 2.15 5.27 0.03 2.05 2.01 0.75 -4.43 115.64 123.47 2kqn s THR 5 Ca 0.11 0.67 0.08 0.00 0.31 0.00 0.00 61.69 62.85 2kqn s THR 5 Cb -0.19 -3.69 -0.02 0.00 0.01 0.00 0.00 72.50 68.60 2kqn s THR 5 CO 0.12 0.36 -0.23 -1.58 -0.69 0.00 0.00 174.62 172.59 2kqn s GLN 6 N 0.61 1.62 0.01 4.92 0.74 -1.26 0.14 119.66 126.44 2kqn s GLN 6 Ca 0.19 -0.96 -0.01 0.00 0.05 0.00 0.00 55.36 54.64 2kqn s GLN 6 Cb -0.14 -1.71 -0.01 0.00 1.10 0.00 0.00 33.01 32.26 2kqn s GLN 6 CO 0.06 0.45 0.00 -1.12 -0.55 0.00 0.00 175.29 174.13 2kqn s SER 7 N -1.03 0.15 0.95 6.67 0.01 0.35 -4.58 113.70 116.20 2kqn s SER 7 Ca 0.09 -0.32 -0.03 0.00 1.31 0.00 0.00 55.95 57.00 2kqn s SER 7 Cb -0.09 0.10 0.05 0.00 0.21 0.00 0.00 66.02 66.28 2kqn s SER 7 CO 0.01 -0.23 0.28 -0.81 0.41 0.00 0.00 173.24 172.90 2kqn n PRO 8 N 1.99 -0.21 0.08 12.44 -0.04 -1.26 -0.63 135.00 147.37 2kqn n PRO 8 Ca -0.21 -0.45 -0.13 0.00 -0.04 0.00 0.00 63.50 62.67 2kqn n PRO 8 Cb 0.56 -0.28 -0.05 0.00 -0.04 0.00 0.00 33.50 33.69 2kqn n PRO 8 CO 0.00 0.00 0.00 1.03 -0.04 0.00 0.00 175.50 176.49 2kqn h SER 9 N -0.35 0.47 -3.01 3.54 0.87 -1.81 -3.34 113.55 109.91 2kqn h SER 9 Ca -0.09 -0.39 0.08 0.00 -1.23 0.00 0.00 61.79 60.16 2kqn h SER 9 Cb 0.25 -0.14 -0.27 0.00 -0.44 0.00 0.00 62.40 61.80 2kqn h SER 9 CO 0.07 1.20 0.47 -0.94 -0.53 0.00 0.00 176.83 177.10 2kqn s SER 10 N -7.06 -0.43 -0.20 6.23 1.04 -1.26 -1.71 113.70 110.30 2kqn s SER 10 Ca -0.05 0.81 -0.16 0.00 0.48 0.00 0.00 55.95 57.03 2kqn s SER 10 Cb 0.09 0.88 0.06 0.00 0.10 0.00 0.00 66.02 67.14 2kqn s SER 10 CO 0.86 -0.14 0.51 -1.48 0.98 0.00 0.00 173.24 173.98 2kqn s LEU 11 N 0.40 -0.11 -0.31 2.42 2.34 -0.31 -4.92 118.68 118.19 2kqn s LEU 11 Ca 0.01 1.06 -0.14 0.00 0.06 0.00 0.00 54.13 55.13 2kqn s LEU 11 Cb -0.05 1.75 -0.03 0.00 -0.56 0.00 0.00 46.19 47.30 2kqn s LEU 11 CO -0.08 -0.19 0.33 -0.44 -1.06 0.00 0.00 176.35 174.90 2kqn s SER 12 N 0.68 6.17 -0.09 1.48 0.01 -1.26 -2.65 113.70 118.04 2kqn s SER 12 Ca -0.03 -0.02 0.04 0.00 1.31 0.00 0.00 55.95 57.24 2kqn s SER 12 Cb -0.05 -2.18 0.00 0.00 0.21 0.00 0.00 66.02 64.00 2kqn s SER 12 CO -0.05 -0.22 -0.20 0.00 0.41 0.00 0.00 173.24 173.18 2kqn s ALA 13 N 1.97 1.89 0.35 1.44 0.00 0.24 -4.56 121.76 123.09 2kqn s ALA 13 Ca 0.12 -0.80 0.01 0.00 0.00 0.00 0.00 51.96 51.29 2kqn s ALA 13 Cb -0.16 -0.73 -0.03 0.00 0.00 0.00 0.00 23.12 22.20 2kqn s ALA 13 CO 0.11 0.24 0.54 -1.54 0.00 0.00 0.00 175.76 175.11 2kqn s SER 14 N 0.43 6.22 -0.16 0.00 1.04 -1.26 -3.59 113.70 116.37 2kqn s SER 14 Ca -0.17 0.35 -0.37 0.00 0.48 0.00 0.00 55.95 56.23 2kqn s SER 14 Cb -0.17 -1.90 -0.14 0.00 0.10 0.00 0.00 66.02 63.90 2kqn s SER 14 CO 0.07 -0.33 1.77 0.55 0.98 0.00 0.00 173.24 176.28 2kqn n VAL 15 N -1.78 0.38 0.00 5.02 3.14 -1.26 -0.32 118.33 123.53 2kqn n VAL 15 Ca -0.04 -0.07 0.00 0.00 -2.96 0.00 0.00 64.34 61.27 2kqn n VAL 15 Cb 0.57 -1.47 0.00 0.00 -1.06 0.00 0.00 33.84 31.88 2kqn n VAL 15 CO 0.00 0.00 0.00 0.61 -6.46 0.00 0.00 176.83 170.98 2kqn n GLY 16 N 4.15 2.00 3.85 7.55 0.00 -0.24 -4.94 105.19 117.56 2kqn n GLY 16 Ca 0.24 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.95 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 -1.67 6.17 -0.22 1.61 1.01 0.57 -4.65 116.67 119.49 2kqn s ASP 17 Ca 0.00 1.53 -0.03 0.00 0.71 0.00 0.00 52.55 54.76 2kqn s ASP 17 Cb 0.00 -2.49 -0.00 0.00 1.01 0.00 0.00 42.92 41.44 2kqn s ASP 17 CO 0.00 -0.90 -0.06 -0.60 0.21 0.00 0.00 175.17 173.81 2kqn s ARG 18 N -4.74 3.29 -0.04 8.23 3.52 -1.26 0.06 118.95 128.01 2kqn s ARG 18 Ca 0.57 -0.68 0.02 0.00 -0.13 0.00 0.00 55.73 55.52 2kqn s ARG 18 Cb -0.12 -2.95 -0.03 0.00 -1.56 0.00 0.00 34.95 30.29 2kqn s ARG 18 CO 0.46 -0.21 -0.07 0.08 -0.81 0.00 0.00 175.30 174.74 2kqn s VAL 19 N 1.45 3.63 -0.12 7.11 1.01 -0.77 -4.94 120.40 127.77 2kqn s VAL 19 Ca 0.05 -0.62 -0.00 0.00 0.00 0.00 0.00 61.98 61.40 2kqn s VAL 19 Cb -0.14 -2.52 0.03 0.00 0.00 0.00 0.00 36.38 33.75 2kqn s VAL 19 CO -0.05 0.51 -0.07 -0.89 0.00 0.00 0.00 175.10 174.60 2kqn s THR 20 N -0.88 1.02 -0.08 3.92 2.01 -1.26 -0.12 115.64 120.26 2kqn s THR 20 Ca 0.14 -0.33 0.04 0.00 0.31 0.00 0.00 61.69 61.85 2kqn s THR 20 Cb -0.11 -1.07 -0.01 0.00 0.01 0.00 0.00 72.50 71.32 2kqn s THR 20 CO 0.04 0.33 -0.19 -0.63 -0.69 0.00 0.00 174.62 173.48 2kqn s ILE 21 N 1.70 2.59 -0.05 1.82 1.01 0.18 -4.58 121.20 123.88 2kqn s ILE 21 Ca 0.04 -0.86 0.05 0.00 0.00 0.00 0.00 60.65 59.89 2kqn s ILE 21 Cb -0.13 -2.01 -0.02 0.00 0.01 0.00 0.00 42.46 40.31 2kqn s ILE 21 CO -0.08 0.56 -0.20 -0.89 0.00 0.00 0.00 174.94 174.33 2kqn s THR 22 N -0.12 2.51 -0.04 2.92 2.01 0.20 0.14 115.64 123.26 2kqn s THR 22 Ca -0.03 -0.92 0.06 0.00 0.31 0.00 0.00 61.69 61.10 2kqn s THR 22 Cb -0.14 -1.94 -0.02 0.00 0.01 0.00 0.00 72.50 70.41 2kqn s THR 22 CO 0.04 0.58 -0.21 0.00 -0.69 0.00 0.00 174.62 174.34 2kqn s GLN 24 N -0.58 2.16 -0.02 0.00 -0.21 0.12 -1.47 119.66 119.66 2kqn s GLN 24 Ca 0.08 -0.60 -0.03 0.00 0.02 0.00 0.00 55.36 54.84 2kqn s GLN 24 Cb -0.11 -1.73 -0.04 0.00 1.00 0.00 0.00 33.01 32.14 2kqn s GLN 24 CO 0.00 0.11 0.16 0.00 -2.12 0.00 0.00 175.29 173.45 2kqn s ALA 25 N 0.46 3.90 0.32 6.09 0.00 -0.91 -0.18 121.76 131.45 2kqn s ALA 25 Ca -0.14 -0.77 0.02 0.00 0.00 0.00 0.00 51.96 51.07 2kqn s ALA 25 Cb -0.16 -1.85 0.55 0.00 0.00 0.00 0.00 23.12 21.66 2kqn s ALA 25 CO 0.05 0.73 1.89 1.03 0.00 0.00 0.00 175.76 179.46 2kqn h SER 26 N 3.96 0.63 -5.04 0.00 0.87 -1.35 -3.44 113.55 109.16 2kqn h SER 26 Ca -0.49 -0.09 -0.14 0.00 -1.23 0.00 0.00 61.79 59.83 2kqn h SER 26 Cb 1.19 -0.16 -0.19 0.00 -0.44 0.00 0.00 62.40 62.80 2kqn h SER 26 CO 0.67 0.62 -0.55 -1.58 -0.53 0.00 0.00 176.83 175.45 2kqn s GLN 27 N -5.20 0.51 0.74 2.24 0.74 -1.26 -4.93 119.66 112.50 2kqn s GLN 27 Ca -0.09 -0.65 -0.15 0.00 0.05 0.00 0.00 55.36 54.53 2kqn s GLN 27 Cb 0.16 0.20 0.05 0.00 1.10 0.00 0.00 33.01 34.51 2kqn s GLN 27 CO 0.78 -0.12 1.21 -0.51 -0.55 0.00 0.00 175.29 176.10 2kqn s ASP 28 N -1.83 4.09 -0.03 6.67 1.11 -1.26 -4.83 116.67 120.58 2kqn s ASP 28 Ca -0.09 2.38 0.05 0.00 0.18 0.00 0.00 52.55 55.07 2kqn s ASP 28 Cb -0.04 -2.59 0.08 0.00 1.07 0.00 0.00 42.92 41.43 2kqn s ASP 28 CO -0.02 -2.33 1.02 2.30 1.18 0.00 0.00 175.17 177.31 2kqn n ILE 29 N -2.79 0.52 0.00 0.77 -5.35 -1.07 -4.96 119.36 106.49 2kqn n ILE 29 Ca 0.14 -0.62 0.00 0.00 -0.27 0.00 0.00 62.75 61.99 2kqn n ILE 29 Cb 0.50 0.32 0.00 0.00 -1.74 0.00 0.00 39.64 38.72 2kqn n ILE 29 CO 0.00 0.00 0.00 0.59 -1.76 0.00 0.00 176.55 175.38 2kqn n ASN 30 N -0.39 0.00 -0.25 7.28 5.03 -1.26 -1.45 115.26 124.21 2kqn n ASN 30 Ca 0.04 0.00 0.00 0.00 0.87 0.00 0.00 54.58 55.49 2kqn n ASN 30 Cb 0.67 0.00 0.00 0.00 -1.02 0.00 0.00 39.78 39.43 2kqn n ASN 30 CO 0.00 0.00 0.00 -0.46 -1.83 0.00 0.00 177.26 174.97 2kqn n ASN 31 N 2.99 0.00 -4.50 6.41 6.94 -1.26 -0.38 115.26 125.45 2kqn n ASN 31 Ca 0.00 -0.85 -0.43 0.00 -0.02 0.00 0.00 54.58 53.27 2kqn n ASN 31 Cb 0.00 0.00 -0.01 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 3.17 -0.01 -2.53 2.02 -0.53 -2.80 117.35 116.67 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 -4.47 -0.01 0.00 -0.40 0.00 0.00 41.96 37.08 2kqn s TYR 32 CO 0.00 -1.57 -0.12 -1.17 -1.57 0.00 0.00 175.55 171.12 2kqn s LEU 33 N 2.75 1.98 0.01 -1.29 1.98 -1.26 -1.24 118.68 121.61 2kqn s LEU 33 Ca 0.45 -0.23 0.08 0.00 -2.89 0.00 0.00 54.13 51.54 2kqn s LEU 33 Cb -0.01 -0.65 -0.02 0.00 0.66 0.00 0.00 46.19 46.17 2kqn s LEU 33 CO 0.00 0.14 -0.24 -0.63 -1.89 0.00 0.00 176.35 173.73 2kqn s ILE 34 N -0.20 1.90 -0.09 6.68 1.01 0.20 -1.43 121.20 129.27 2kqn s ILE 34 Ca 0.03 -1.15 0.01 0.00 0.00 0.00 0.00 60.65 59.53 2kqn s ILE 34 Cb -0.06 -1.61 -0.02 0.00 0.01 0.00 0.00 42.46 40.78 2kqn s ILE 34 CO -0.00 0.42 -0.11 0.26 0.00 0.00 0.00 174.94 175.51 2kqn s TRP 35 N -0.67 2.84 0.23 3.97 0.52 0.18 0.30 118.94 126.32 2kqn s TRP 35 Ca 0.10 -0.29 0.06 0.00 0.02 0.00 0.00 56.10 55.98 2kqn s TRP 35 Cb -0.09 -1.76 -0.05 0.00 -1.15 0.00 0.00 33.47 30.41 2kqn s TRP 35 CO 0.00 0.06 -0.07 0.71 0.02 0.00 0.00 176.95 177.68 2kqn s TYR 36 N -0.24 1.70 -0.16 -1.98 2.02 -0.47 0.21 117.35 118.42 2kqn s TYR 36 Ca 0.02 -0.74 0.01 0.00 -0.37 0.00 0.00 57.07 55.99 2kqn s TYR 36 Cb -0.13 -0.92 0.02 0.00 -0.40 0.00 0.00 41.96 40.54 2kqn s TYR 36 CO 0.03 0.19 -0.15 1.14 -1.57 0.00 0.00 175.55 175.18 2kqn s GLN 37 N -3.75 2.43 -0.41 -0.62 -2.07 -0.21 -2.71 119.66 112.32 2kqn s GLN 37 Ca 0.26 -0.63 -0.17 0.00 -1.82 0.00 0.00 55.36 53.00 2kqn s GLN 37 Cb 0.03 -2.22 0.02 0.00 -1.09 0.00 0.00 33.01 29.75 2kqn s GLN 37 CO 0.08 -0.24 0.40 -1.14 -1.32 0.00 0.00 175.29 173.07 2kqn s GLN 38 N 1.44 3.09 -0.20 9.60 -0.44 0.89 -1.15 119.66 132.87 2kqn s GLN 38 Ca 0.05 -0.81 -0.11 0.00 -2.50 0.00 0.00 55.36 51.98 2kqn s GLN 38 Cb -0.13 -3.96 -0.05 0.00 -1.64 0.00 0.00 33.01 27.23 2kqn s GLN 38 CO -0.11 -0.81 0.18 0.15 0.50 0.00 0.00 175.29 175.20 2kqn s LYS 39 N 2.01 4.17 -0.18 1.67 1.02 -1.26 -0.67 119.74 126.49 2kqn s LYS 39 Ca 0.10 -0.16 -0.31 0.00 0.02 0.00 0.00 55.97 55.62 2kqn s LYS 39 Cb -0.18 -3.46 -0.08 0.00 -0.52 0.00 0.00 37.83 33.59 2kqn s LYS 39 CO 0.13 0.20 2.11 -0.35 -0.92 0.00 0.00 175.35 176.52 2kqn n PRO 40 N 3.80 1.95 0.00 -1.68 -0.04 -1.26 -2.32 135.00 135.45 2kqn n PRO 40 Ca -0.15 0.61 0.00 0.00 -0.04 0.00 0.00 63.50 63.92 2kqn n PRO 40 Cb 0.52 -2.92 0.00 0.00 -0.04 0.00 0.00 33.50 31.06 2kqn n PRO 40 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 2kqn n GLY 41 N 5.49 3.65 3.76 0.55 0.00 -1.26 -5.08 105.19 112.29 2kqn n GLY 41 Ca 0.29 -0.87 -0.23 0.00 0.00 0.00 0.00 46.02 45.21 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 2.42 0.61 1.61 -2.07 -0.98 -5.11 119.66 116.14 2kqn s GLN 42 Ca 0.00 -1.53 -0.18 0.00 -1.82 0.00 0.00 55.36 51.83 2kqn s GLN 42 Cb 0.00 -2.21 -0.03 0.00 -1.09 0.00 0.00 33.01 29.68 2kqn s GLN 42 CO 0.00 0.07 1.17 0.00 -1.32 0.00 0.00 175.29 175.21 2kqn s ALA 43 N -2.42 2.51 0.67 2.60 0.00 -1.26 -4.40 121.76 119.47 2kqn s ALA 43 Ca 0.39 0.86 -0.17 0.00 0.00 0.00 0.00 51.96 53.04 2kqn s ALA 43 Cb -0.02 -3.41 0.00 0.00 0.00 0.00 0.00 23.12 19.69 2kqn s ALA 43 CO 0.23 -1.17 1.28 -1.25 0.00 0.00 0.00 175.76 174.85 2kqn s PRO 44 N -3.53 2.40 -0.18 0.00 0.04 -1.26 -4.70 135.00 127.77 2kqn s PRO 44 Ca 0.74 2.00 -0.05 0.00 0.04 0.00 0.00 61.00 63.73 2kqn s PRO 44 Cb -0.27 -1.83 -0.03 0.00 0.04 0.00 0.00 34.50 32.41 2kqn s PRO 44 CO 0.34 -1.70 0.00 0.21 0.04 0.00 0.00 177.00 175.90 2kqn s LYS 45 N -3.51 3.72 -0.07 4.56 2.20 -0.30 -4.92 119.74 121.42 2kqn s LYS 45 Ca 0.81 -0.48 -0.30 0.00 -0.36 0.00 0.00 55.97 55.64 2kqn s LYS 45 Cb -0.36 -3.06 -0.04 0.00 -1.51 0.00 0.00 37.83 32.86 2kqn s LYS 45 CO 0.41 0.15 1.37 -1.17 -0.36 0.00 0.00 175.35 175.75 2kqn s LEU 46 N 0.64 4.27 -0.17 5.43 0.20 -1.26 -1.04 118.68 126.76 2kqn s LEU 46 Ca -0.00 1.96 -0.12 0.00 0.69 0.00 0.00 54.13 56.65 2kqn s LEU 46 Cb -0.14 -3.55 -0.07 0.00 -0.43 0.00 0.00 46.19 42.00 2kqn s LEU 46 CO 0.02 -0.74 -0.27 0.18 -0.29 0.00 0.00 176.35 175.25 2kqn n LEU 47 N 5.99 1.61 -4.08 -0.68 4.77 0.13 -4.84 117.00 119.90 2kqn n LEU 47 Ca 0.14 0.27 -0.20 0.00 -0.03 0.00 0.00 56.01 56.18 2kqn n LEU 47 Cb 0.44 -0.63 -0.15 0.00 -2.33 0.00 0.00 43.42 40.75 2kqn n LEU 47 CO 0.58 0.06 -0.46 -0.63 -1.33 0.00 0.00 177.39 175.61 2kqn s ILE 48 N -2.53 0.94 0.24 -0.08 1.01 -1.00 -1.39 121.20 118.40 2kqn s ILE 48 Ca -0.26 -0.58 0.01 0.00 0.00 0.00 0.00 60.65 59.82 2kqn s ILE 48 Cb 0.08 -0.80 -0.05 0.00 0.01 0.00 0.00 42.46 41.69 2kqn s ILE 48 CO 0.35 0.21 0.08 -0.72 0.00 0.00 0.00 174.94 174.87 2kqn s TYR 49 N -0.38 1.43 0.00 3.97 -0.85 0.35 0.51 117.35 122.38 2kqn s TYR 49 Ca 0.04 -1.18 0.00 0.00 -0.52 0.00 0.00 57.07 55.41 2kqn s TYR 49 Cb -0.05 -0.82 0.00 0.00 0.38 0.00 0.00 41.96 41.47 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 -0.40 -4.13 -0.80 -0.18 2.03 -0.87 -0.22 116.55 111.98 2kqn n ASP 50 Ca -0.01 0.00 -0.10 0.00 0.52 0.00 0.00 54.79 55.20 2kqn n ASP 50 Cb 0.66 -2.52 -0.04 0.00 -0.72 0.00 0.00 41.12 38.49 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 1.00 -0.16 -1.34 -1.67 0.00 -0.51 -4.56 120.51 113.27 2kqn n ALA 51 Ca 0.00 0.17 0.00 0.00 0.00 0.00 0.00 53.44 53.61 2kqn n ALA 51 Cb 0.29 -1.69 0.00 0.00 0.00 0.00 0.00 19.45 18.05 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 -1.04 0.00 -4.49 0.00 7.64 -1.04 -1.45 113.62 113.23 2kqn n SER 52 Ca -0.10 -0.36 -0.35 0.00 1.01 0.00 0.00 58.87 59.06 2kqn n SER 52 Cb 0.56 0.00 -0.12 0.00 -1.01 0.00 0.00 64.21 63.64 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 0.00 4.22 0.07 0.44 2.01 0.69 -4.92 115.64 118.14 2kqn s THR 53 Ca 0.00 -0.22 -0.27 0.00 0.31 0.00 0.00 61.69 61.51 2kqn s THR 53 Cb 0.00 -2.92 -0.06 0.00 0.01 0.00 0.00 72.50 69.54 2kqn s THR 53 CO 0.00 0.42 0.84 -0.76 -0.69 0.00 0.00 174.62 174.43 2kqn s LEU 54 N 0.95 4.46 0.48 4.42 1.43 -1.26 -0.50 118.68 128.66 2kqn s LEU 54 Ca 0.02 1.57 -0.21 0.00 -1.03 0.00 0.00 54.13 54.49 2kqn s LEU 54 Cb -0.14 -3.36 -0.08 0.00 0.03 0.00 0.00 46.19 42.63 2kqn s LEU 54 CO 0.02 -0.02 1.06 -0.70 0.23 0.00 0.00 176.35 176.94 2kqn s GLU 55 N -0.01 3.79 -0.02 1.70 2.56 -0.48 -4.94 118.70 121.30 2kqn s GLU 55 Ca 0.42 1.43 -0.30 0.00 0.00 0.00 0.00 54.97 56.52 2kqn s GLU 55 Cb -0.21 -2.16 -0.07 0.00 2.00 0.00 0.00 34.13 33.69 2kqn s GLU 55 CO 0.25 -0.45 1.75 0.99 -0.56 0.00 0.00 175.26 177.25 2kqn s THR 56 N -1.89 3.38 0.00 -1.70 2.01 -1.26 -1.22 115.64 114.96 2kqn s THR 56 Ca 0.67 0.48 0.00 0.00 0.31 0.00 0.00 61.69 63.14 2kqn s THR 56 Cb -0.18 -3.31 0.00 0.00 0.01 0.00 0.00 72.50 69.02 2kqn s THR 56 CO 0.22 -0.04 0.00 0.61 -0.69 0.00 0.00 174.62 174.72 2kqn n GLY 57 N 4.26 0.90 3.41 4.40 0.00 -1.26 -5.08 105.19 111.82 2kqn n GLY 57 Ca 0.18 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.82 2kqn n GLY 57 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2kqn s VAL 58 N -2.00 4.34 0.72 1.61 1.01 -0.35 -5.09 120.40 120.64 2kqn s VAL 58 Ca 0.00 -0.43 -0.16 0.00 0.00 0.00 0.00 61.98 61.39 2kqn s VAL 58 Cb 0.00 -3.17 0.00 0.00 0.00 0.00 0.00 36.38 33.21 2kqn s VAL 58 CO 0.00 0.14 0.93 -2.65 0.00 0.00 0.00 175.10 173.52 2kqn n PRO 59 N 4.93 0.48 0.00 2.72 -0.02 -1.26 -4.83 135.00 137.02 2kqn n PRO 59 Ca -0.15 0.22 0.06 0.00 -2.02 0.00 0.00 63.50 61.61 2kqn n PRO 59 Cb 0.49 -2.18 0.31 0.00 -0.02 0.00 0.00 33.50 32.10 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 -1.57 0.00 0.11 2.55 7.64 -1.26 -2.44 113.62 118.66 2kqn n SER 60 Ca 0.13 0.10 0.07 0.00 1.01 0.00 0.00 58.87 60.17 2kqn n SER 60 Cb 0.49 -0.28 0.53 0.00 -1.01 0.00 0.00 64.21 63.95 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 0.28 -6.98 1.43 2.47 -1.90 -3.44 114.38 106.24 2kqn h ARG 61 Ca 0.00 -0.02 -0.47 0.00 -1.26 0.00 0.00 59.98 58.24 2kqn h ARG 61 Cb 0.11 -0.06 0.07 0.00 -1.65 0.00 0.00 29.97 28.44 2kqn h ARG 61 CO 0.00 0.18 0.04 -0.06 0.56 0.00 0.00 179.97 180.70 2kqn s PHE 62 N -5.29 1.78 0.00 3.04 0.40 -1.02 0.08 117.98 116.96 2kqn s PHE 62 Ca -0.07 -0.31 0.00 0.00 -0.60 0.00 0.00 56.93 55.95 2kqn s PHE 62 Cb 0.17 -2.81 0.00 0.00 0.51 0.00 0.00 43.02 40.89 2kqn s PHE 62 CO 0.70 -1.46 0.00 0.45 0.70 0.00 0.00 175.22 175.62 2kqn n SER 63 N -2.64 0.00 -3.89 1.36 2.88 -1.24 -4.93 113.62 105.16 2kqn n SER 63 Ca 0.14 0.00 -0.25 0.00 -1.33 0.00 0.00 58.87 57.43 2kqn n SER 63 Cb 0.61 0.22 -0.01 0.00 -0.75 0.00 0.00 64.21 64.28 2kqn n SER 63 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 2kqn n GLY 64 N -1.38 -0.28 3.85 0.46 0.00 -1.25 -4.52 105.19 102.07 2kqn n GLY 64 Ca 0.00 0.16 -0.35 0.00 0.00 0.00 0.00 46.02 45.83 2kqn n GLY 64 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2kqn s SER 65 N -4.32 6.79 0.00 1.61 1.04 -0.74 -3.81 113.70 114.27 2kqn s SER 65 Ca 0.03 1.00 0.00 0.00 0.48 0.00 0.00 55.95 57.46 2kqn s SER 65 Cb -0.01 -2.26 0.00 0.00 0.10 0.00 0.00 66.02 63.85 2kqn s SER 65 CO 0.87 0.14 0.00 0.61 0.98 0.00 0.00 173.24 175.84 2kqn n GLY 66 N 0.94 -0.74 3.43 7.32 0.00 -0.53 -0.77 105.19 114.84 2kqn n GLY 66 Ca -0.07 -1.25 -0.12 0.00 0.00 0.00 0.00 46.02 44.58 2kqn n GLY 66 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2kqn s SER 67 N 0.00 -0.55 0.04 1.61 0.01 -0.26 -4.66 113.70 109.89 2kqn s SER 67 Ca 0.00 -0.01 0.00 0.00 1.31 0.00 0.00 55.95 57.25 2kqn s SER 67 Cb 0.00 0.59 0.00 0.00 0.21 0.00 0.00 66.02 66.82 2kqn s SER 67 CO 0.00 -0.96 0.00 0.61 0.41 0.00 0.00 173.24 173.30 2kqn n GLY 68 N -0.37 1.17 0.00 3.44 0.00 0.49 -2.20 105.19 107.71 2kqn n GLY 68 Ca -0.16 0.35 0.00 0.00 0.00 0.00 0.00 46.02 46.20 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 -4.48 2.61 -2.24 -1.26 -2.59 114.28 106.32 2kqn n THR 69 Ca 0.00 -0.32 -0.33 0.00 -2.27 0.00 0.00 64.05 61.13 2kqn n THR 69 Cb 0.00 0.98 -0.15 0.00 -2.10 0.00 0.00 70.33 69.06 2kqn n THR 69 CO 0.00 0.00 0.00 -1.61 -0.57 0.00 0.00 175.07 172.89 2kqn s GLU 70 N -0.69 3.29 -0.04 -0.78 8.01 -0.94 -2.13 118.70 125.42 2kqn s GLU 70 Ca 0.00 -0.71 0.01 0.00 0.01 0.00 0.00 54.97 54.28 2kqn s GLU 70 Cb 0.00 -2.70 0.02 0.00 -4.31 0.00 0.00 34.13 27.15 2kqn s GLU 70 CO 0.00 0.03 -0.03 -0.06 0.01 0.00 0.00 175.26 175.22 2kqn s PHE 71 N 0.80 0.62 -0.20 1.61 0.08 -0.55 -1.10 117.98 119.24 2kqn s PHE 71 Ca -0.05 -0.15 0.01 0.00 0.12 0.00 0.00 56.93 56.87 2kqn s PHE 71 Cb -0.15 -0.61 0.02 0.00 -0.57 0.00 0.00 43.02 41.71 2kqn s PHE 71 CO 0.01 -0.19 -0.17 0.99 -0.10 0.00 0.00 175.22 175.76 2kqn s THR 72 N 1.05 2.20 -0.34 0.64 2.01 0.05 -0.68 115.64 120.56 2kqn s THR 72 Ca -0.09 -1.02 -0.08 0.00 0.31 0.00 0.00 61.69 60.81 2kqn s THR 72 Cb -0.14 -2.00 0.03 0.00 0.01 0.00 0.00 72.50 70.41 2kqn s THR 72 CO -0.01 0.43 0.13 0.12 -0.69 0.00 0.00 174.62 174.60 2kqn s PHE 73 N 1.28 3.24 -0.09 4.92 5.36 0.12 -1.79 117.98 131.02 2kqn s PHE 73 Ca 0.03 -1.26 0.04 0.00 -0.96 0.00 0.00 56.93 54.78 2kqn s PHE 73 Cb -0.14 -2.31 0.00 0.00 -0.34 0.00 0.00 43.02 40.22 2kqn s PHE 73 CO -0.11 -0.69 -0.22 0.99 -1.46 0.00 0.00 175.22 173.73 2kqn s THR 74 N 1.45 1.91 -0.35 0.12 2.01 -1.26 0.50 115.64 120.03 2kqn s THR 74 Ca -0.00 -0.94 -0.12 0.00 0.31 0.00 0.00 61.69 60.94 2kqn s THR 74 Cb -0.19 -1.66 0.00 0.00 0.01 0.00 0.00 72.50 70.67 2kqn s THR 74 CO 0.04 0.53 0.21 -0.63 -0.69 0.00 0.00 174.62 174.08 2kqn s ILE 75 N 0.32 4.84 0.24 1.82 1.01 0.83 -3.72 121.20 126.55 2kqn s ILE 75 Ca -0.16 -0.54 -0.06 0.00 0.00 0.00 0.00 60.65 59.89 2kqn s ILE 75 Cb -0.17 -3.58 0.22 0.00 0.01 0.00 0.00 42.46 38.94 2kqn s ILE 75 CO 0.07 -0.09 1.86 -1.28 0.00 0.00 0.00 174.94 175.50 2kqn h SER 76 N 8.45 0.87 -2.47 3.58 0.87 -0.64 -2.04 113.55 122.17 2kqn h SER 76 Ca -0.29 0.01 -0.26 0.00 -1.23 0.00 0.00 61.79 60.02 2kqn h SER 76 Cb 1.13 -0.17 -0.34 0.00 -0.44 0.00 0.00 62.40 62.58 2kqn h SER 76 CO 0.65 0.57 -0.57 -0.55 -0.53 0.00 0.00 176.83 176.40 2kqn s SER 77 N -5.81 0.87 0.16 6.23 0.15 -1.26 -4.34 113.70 109.71 2kqn s SER 77 Ca -0.13 0.08 -0.32 0.00 0.70 0.00 0.00 55.95 56.29 2kqn s SER 77 Cb 0.18 0.62 -0.11 0.00 -1.71 0.00 0.00 66.02 65.01 2kqn s SER 77 CO 0.79 -0.30 1.72 -0.22 1.20 0.00 0.00 173.24 176.44 2kqn s LEU 78 N 2.40 4.38 -0.00 3.45 1.98 0.11 -4.78 118.68 126.22 2kqn s LEU 78 Ca 0.07 2.76 -0.00 0.00 -2.89 0.00 0.00 54.13 54.06 2kqn s LEU 78 Cb -0.15 -3.59 -0.04 0.00 0.66 0.00 0.00 46.19 43.08 2kqn s LEU 78 CO -0.12 -0.95 0.08 -1.10 -1.89 0.00 0.00 176.35 172.38 2kqn s GLN 79 N 1.77 3.07 0.48 1.98 -1.52 -1.26 -1.08 119.66 123.11 2kqn s GLN 79 Ca 0.76 -0.49 0.14 0.00 -1.95 0.00 0.00 55.36 53.82 2kqn s GLN 79 Cb -0.47 -2.86 1.14 0.00 -0.22 0.00 0.00 33.01 30.60 2kqn s GLN 79 CO 0.33 0.65 2.09 -1.00 -0.25 0.00 0.00 175.29 177.11 2kqn h PRO 80 N 4.06 0.08 0.00 2.91 0.13 -1.94 -1.00 132.00 136.24 2kqn h PRO 80 Ca -0.49 -0.01 0.00 0.00 -0.87 0.00 0.00 66.00 64.63 2kqn h PRO 80 Cb 1.18 -0.02 0.00 0.00 0.13 0.00 0.00 31.00 32.30 2kqn h PRO 80 CO 0.63 0.10 0.00 0.39 -0.23 0.00 0.00 178.00 178.89 2kqn n GLU 81 N -4.47 0.19 -0.53 0.86 1.02 -1.26 -3.27 120.64 113.17 2kqn n GLU 81 Ca -0.02 0.20 0.03 0.00 -0.02 0.00 0.00 57.16 57.35 2kqn n GLU 81 Cb 0.13 -1.74 0.23 0.00 -0.02 0.00 0.00 31.44 30.04 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 -2.06 3.70 -4.67 1.62 8.00 -0.38 -4.84 116.55 117.92 2kqn n ASP 82 Ca 0.05 -2.56 -0.42 0.00 0.71 0.00 0.00 54.79 52.57 2kqn n ASP 82 Cb 0.37 -0.61 -0.03 0.00 -0.02 0.00 0.00 41.12 40.84 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 -1.60 4.27 0.01 0.64 0.20 -1.20 -4.93 118.68 116.08 2kqn s LEU 83 Ca 0.31 1.98 -0.28 0.00 0.69 0.00 0.00 54.13 56.83 2kqn s LEU 83 Cb 0.24 -3.55 0.10 0.00 -0.43 0.00 0.00 46.19 42.55 2kqn s LEU 83 CO 0.09 -0.76 1.25 0.00 -0.29 0.00 0.00 176.35 176.63 2kqn s ALA 84 N 3.05 -2.26 -0.35 5.97 0.00 -1.13 -4.82 121.76 122.22 2kqn s ALA 84 Ca 0.62 0.20 -0.19 0.00 0.00 0.00 0.00 51.96 52.59 2kqn s ALA 84 Cb -0.28 0.70 -0.00 0.00 0.00 0.00 0.00 23.12 23.53 2kqn s ALA 84 CO 0.23 -1.11 0.57 0.99 0.00 0.00 0.00 175.76 176.45 2kqn s THR 85 N -2.20 4.96 0.00 0.00 2.01 0.16 -2.08 115.64 118.49 2kqn s THR 85 Ca 0.23 0.47 -0.12 0.00 0.31 0.00 0.00 61.69 62.59 2kqn s THR 85 Cb 0.01 -4.01 -0.05 0.00 0.01 0.00 0.00 72.50 68.45 2kqn s THR 85 CO -0.01 -0.25 0.36 -0.31 -0.69 0.00 0.00 174.62 173.72 2kqn s TYR 86 N 2.53 3.66 0.26 4.92 1.51 -1.13 -0.08 117.35 129.03 2kqn s TYR 86 Ca 0.21 0.84 -0.16 0.00 -1.01 0.00 0.00 57.07 56.96 2kqn s TYR 86 Cb -0.15 -2.18 0.01 0.00 -0.11 0.00 0.00 41.96 39.53 2kqn s TYR 86 CO 0.14 0.62 0.57 1.52 -1.11 0.00 0.00 175.55 177.29 2kqn s TYR 87 N -1.17 0.16 0.02 2.71 -0.85 -1.10 -4.09 117.35 113.02 2kqn s TYR 87 Ca 0.25 -0.56 0.05 0.00 -0.52 0.00 0.00 57.07 56.30 2kqn s TYR 87 Cb -0.15 0.39 -0.02 0.00 0.38 0.00 0.00 41.96 42.56 2kqn s TYR 87 CO 0.13 -1.10 -0.16 0.00 -1.52 0.00 0.00 175.55 172.91 2kqn s GLN 89 N -0.81 1.67 0.17 0.00 2.00 0.15 -0.71 119.66 122.13 2kqn s GLN 89 Ca 0.05 -0.36 -0.08 0.00 -2.00 0.00 0.00 55.36 52.96 2kqn s GLN 89 Cb -0.07 -1.51 -0.06 0.00 0.80 0.00 0.00 33.01 32.16 2kqn s GLN 89 CO 0.01 -0.10 0.46 1.14 -0.50 0.00 0.00 175.29 176.30 2kqn s GLN 90 N 1.09 3.73 -0.08 1.67 1.03 -1.24 0.61 119.66 126.47 2kqn s GLN 90 Ca -0.06 0.13 0.14 0.00 0.04 0.00 0.00 55.36 55.61 2kqn s GLN 90 Cb -0.14 -2.78 0.29 0.00 0.03 0.00 0.00 33.01 30.40 2kqn s GLN 90 CO -0.01 0.41 1.14 2.48 -2.54 0.00 0.00 175.29 176.77 2kqn n TYR 91 N 0.13 0.00 0.06 9.60 4.11 -0.38 -4.51 117.16 126.16 2kqn n TYR 91 Ca -0.02 -0.71 -0.22 0.00 -0.00 0.00 0.00 57.90 56.94 2kqn n TYR 91 Cb 0.52 -0.15 -0.15 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 0.56 0.54 -4.14 9.48 3.58 -1.84 -3.48 116.42 121.12 2kqn h ASP 92 Ca -0.07 -0.91 -0.17 0.00 0.42 0.00 0.00 57.03 56.30 2kqn h ASP 92 Cb 1.38 -0.18 -0.25 0.00 1.72 0.00 0.00 39.33 42.01 2kqn h ASP 92 CO 0.03 1.66 -0.51 0.21 -2.88 0.00 0.00 179.24 177.74 2kqn s ASN 93 N -7.19 -0.12 0.35 2.28 2.47 -1.26 -5.12 114.94 106.34 2kqn s ASN 93 Ca -0.16 0.18 -0.21 0.00 0.42 0.00 0.00 52.86 53.08 2kqn s ASN 93 Cb 0.04 0.30 -0.10 0.00 -1.45 0.00 0.00 41.25 40.05 2kqn s ASN 93 CO 0.83 -0.15 0.88 -0.76 -3.72 0.00 0.00 177.10 174.18 2kqn s LEU 94 N -0.34 4.15 0.63 3.21 1.43 -1.26 -4.07 118.68 122.43 2kqn s LEU 94 Ca -0.04 1.63 -0.15 0.00 -1.03 0.00 0.00 54.13 54.54 2kqn s LEU 94 Cb -0.03 -4.15 -0.02 0.00 0.03 0.00 0.00 46.19 42.02 2kqn s LEU 94 CO 0.01 -0.18 1.08 -2.16 0.23 0.00 0.00 176.35 175.32 2kqn s PRO 95 N -2.60 3.08 -0.23 1.29 0.04 -1.26 -4.81 135.00 130.50 2kqn s PRO 95 Ca 0.54 1.26 -0.17 0.00 0.04 0.00 0.00 61.00 62.67 2kqn s PRO 95 Cb -0.13 -2.00 -0.03 0.00 0.04 0.00 0.00 34.50 32.38 2kqn s PRO 95 CO 0.18 -1.01 0.46 0.71 0.04 0.00 0.00 177.00 177.38 2kqn s TYR 96 N -2.46 3.32 -0.02 0.56 2.02 -1.26 -4.41 117.35 115.10 2kqn s TYR 96 Ca 0.64 0.63 0.04 0.00 -0.37 0.00 0.00 57.07 58.01 2kqn s TYR 96 Cb -0.18 -2.63 -0.03 0.00 -0.40 0.00 0.00 41.96 38.73 2kqn s TYR 96 CO 0.40 -0.15 -0.12 0.95 -1.57 0.00 0.00 175.55 175.07 2kqn s THR 97 N 1.80 3.26 0.20 -0.71 -4.23 -1.26 -4.99 115.64 109.71 2kqn s THR 97 Ca 0.20 -0.78 -0.01 0.00 -1.18 0.00 0.00 61.69 59.93 2kqn s THR 97 Cb -0.15 -2.34 -0.04 0.00 1.34 0.00 0.00 72.50 71.31 2kqn s THR 97 CO 0.09 0.50 0.38 -0.36 -0.54 0.00 0.00 174.62 174.70 2kqn s PHE 98 N -0.84 3.48 0.72 3.99 0.08 -1.26 -3.64 117.98 120.52 2kqn s PHE 98 Ca 0.13 0.33 -0.12 0.00 0.12 0.00 0.00 56.93 57.39 2kqn s PHE 98 Cb -0.11 -1.84 0.03 0.00 -0.57 0.00 0.00 43.02 40.53 2kqn s PHE 98 CO 0.03 0.39 1.09 0.20 -0.10 0.00 0.00 175.22 176.83 2kqn s GLY 99 N -3.15 1.86 0.00 4.36 0.00 0.12 -4.74 107.32 105.76 2kqn s GLY 99 Ca 0.38 0.36 0.00 0.00 0.00 0.00 0.00 44.72 45.46 2kqn s GLY 99 CO 0.29 0.70 0.60 0.61 0.00 0.00 0.00 173.10 175.30 2kqn n GLN 100 N -3.06 0.00 -0.09 2.90 -0.00 -1.26 -4.67 117.38 111.19 2kqn n GLN 100 Ca 0.09 -0.57 0.10 0.00 -0.00 0.00 0.00 57.00 56.62 2kqn n GLN 100 Cb 0.53 -0.42 0.14 0.00 -0.00 0.00 0.00 30.24 30.48 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 0.00 1.16 2.85 2.61 0.00 -1.26 -4.93 105.19 105.63 2kqn n GLY 101 Ca 0.00 -0.59 -0.22 0.00 0.00 0.00 0.00 46.02 45.21 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 -1.43 0.56 -0.13 2.61 2.01 -1.24 -3.30 115.64 114.71 2kqn s THR 102 Ca 0.28 -0.06 -0.01 0.00 0.31 0.00 0.00 61.69 62.20 2kqn s THR 102 Cb 0.18 -0.63 -0.02 0.00 0.01 0.00 0.00 72.50 72.04 2kqn s THR 102 CO 0.25 0.26 -0.10 -0.75 -0.69 0.00 0.00 174.62 173.60 2kqn s LYS 103 N 1.40 3.45 -0.16 4.92 2.47 -0.69 -2.82 119.74 128.31 2kqn s LYS 103 Ca -0.03 -0.62 0.00 0.00 -1.56 0.00 0.00 55.97 53.76 2kqn s LYS 103 Cb -0.13 -2.73 0.00 0.00 -1.46 0.00 0.00 37.83 33.51 2kqn s LYS 103 CO -0.03 0.25 -0.16 -1.17 0.16 0.00 0.00 175.35 174.40 2kqn s LEU 104 N 0.29 2.41 0.20 5.43 1.98 -0.88 -1.17 118.68 126.94 2kqn s LEU 104 Ca -0.07 -0.50 0.07 0.00 -2.89 0.00 0.00 54.13 50.74 2kqn s LEU 104 Cb -0.15 -1.55 -0.05 0.00 0.66 0.00 0.00 46.19 45.11 2kqn s LEU 104 CO 0.04 0.07 -0.14 -1.61 -1.89 0.00 0.00 176.35 172.83 2kqn s GLU 105 N 0.89 1.30 -0.02 1.98 2.02 -1.08 -2.85 118.70 120.93 2kqn s GLU 105 Ca -0.04 -1.57 -0.17 0.00 0.02 0.00 0.00 54.97 53.21 2kqn s GLU 105 Cb -0.15 -1.08 -0.05 0.00 0.10 0.00 0.00 34.13 32.95 2kqn s GLU 105 CO -0.02 0.18 0.47 0.42 0.02 0.00 0.00 175.26 176.33 2kqn s ILE 106 N -2.99 5.01 0.03 -1.63 -1.09 -1.24 0.82 121.20 120.11 2kqn s ILE 106 Ca 0.22 0.97 -0.30 0.00 -2.23 0.00 0.00 60.65 59.31 2kqn s ILE 106 Cb -0.01 -3.79 -0.06 0.00 -1.58 0.00 0.00 42.46 37.02 2kqn s ILE 106 CO 0.06 0.49 1.45 -0.54 -1.23 0.00 0.00 174.94 175.18 2kqn s LYS 107 N -0.54 4.27 0.00 2.79 1.02 -1.24 -4.80 119.74 121.23 2kqn s LYS 107 Ca 0.26 2.05 0.00 0.00 0.02 0.00 0.00 55.97 58.30 2kqn s LYS 107 Cb -0.17 -3.54 0.00 0.00 -0.52 0.00 0.00 37.83 33.60 2kqn s LYS 107 CO 0.14 -0.59 0.49 0.54 -0.92 0.00 0.00 175.35 175.01