#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 5.05 -0.12 2.12 1.01 -1.26 -4.74 121.20 123.26 2kqn s ILE 2 Ca 0.00 -0.92 -0.28 0.00 0.00 0.00 0.00 60.65 59.45 2kqn s ILE 2 Cb 0.00 -3.92 -0.01 0.00 0.01 0.00 0.00 42.46 38.53 2kqn s ILE 2 CO 0.00 -0.42 0.94 -1.58 0.00 0.00 0.00 174.94 173.87 2kqn s GLN 3 N 1.62 4.39 -0.39 2.79 2.00 -1.26 -4.29 119.66 124.51 2kqn s GLN 3 Ca 0.04 1.25 -0.15 0.00 -2.00 0.00 0.00 55.36 54.50 2kqn s GLN 3 Cb -0.21 -3.55 0.01 0.00 0.80 0.00 0.00 33.01 30.06 2kqn s GLN 3 CO 0.07 -0.29 0.30 -1.64 -0.50 0.00 0.00 175.29 173.23 2kqn s MET 4 N 1.97 3.10 -0.35 1.67 -1.94 -1.26 -0.62 119.30 121.88 2kqn s MET 4 Ca 0.45 -0.91 -0.12 0.00 -1.71 0.00 0.00 55.69 53.39 2kqn s MET 4 Cb -0.18 -3.94 -0.01 0.00 2.01 0.00 0.00 34.83 32.72 2kqn s MET 4 CO 0.16 -0.69 0.23 0.99 -0.01 0.00 0.00 175.02 175.70 2kqn s THR 5 N 1.73 5.07 -0.09 2.05 2.01 0.11 -3.90 115.64 122.62 2kqn s THR 5 Ca 0.06 -0.37 -0.02 0.00 0.31 0.00 0.00 61.69 61.67 2kqn s THR 5 Cb -0.18 -3.65 -0.03 0.00 0.01 0.00 0.00 72.50 68.64 2kqn s THR 5 CO 0.10 -0.05 -0.01 -1.58 -0.69 0.00 0.00 174.62 172.39 2kqn s GLN 6 N 1.68 3.00 0.05 4.92 0.74 -1.26 0.46 119.66 129.25 2kqn s GLN 6 Ca 0.05 -0.43 -0.05 0.00 0.05 0.00 0.00 55.36 54.98 2kqn s GLN 6 Cb -0.18 -2.78 -0.02 0.00 1.10 0.00 0.00 33.01 31.14 2kqn s GLN 6 CO 0.09 0.67 0.08 -1.12 -0.55 0.00 0.00 175.29 174.45 2kqn s SER 7 N -0.78 0.24 0.93 6.67 0.01 0.91 -4.13 113.70 117.54 2kqn s SER 7 Ca 0.12 -0.65 -0.13 0.00 1.31 0.00 0.00 55.95 56.60 2kqn s SER 7 Cb -0.11 0.23 0.15 0.00 0.21 0.00 0.00 66.02 66.50 2kqn s SER 7 CO 0.02 -0.55 1.16 -2.16 0.41 0.00 0.00 173.24 172.12 2kqn s PRO 8 N -3.02 0.94 0.38 12.44 0.04 -1.26 -0.65 135.00 143.87 2kqn s PRO 8 Ca -0.01 0.16 0.05 0.00 0.04 0.00 0.00 61.00 61.24 2kqn s PRO 8 Cb 0.01 -1.83 0.74 0.00 0.04 0.00 0.00 34.50 33.46 2kqn s PRO 8 CO -0.07 -2.31 1.99 0.77 0.04 0.00 0.00 177.00 177.42 2kqn h SER 9 N -1.57 0.51 -4.47 6.66 0.02 -1.78 -3.32 113.55 109.59 2kqn h SER 9 Ca -0.49 -0.04 0.02 0.00 -0.84 0.00 0.00 61.79 60.43 2kqn h SER 9 Cb 1.32 -0.13 -0.21 0.00 0.14 0.00 0.00 62.40 63.51 2kqn h SER 9 CO 0.57 0.45 0.38 -0.94 -1.14 0.00 0.00 176.83 176.14 2kqn s SER 10 N -6.67 -0.51 -0.11 3.07 1.04 -1.26 -1.27 113.70 107.98 2kqn s SER 10 Ca -0.08 0.58 -0.24 0.00 0.48 0.00 0.00 55.95 56.69 2kqn s SER 10 Cb 0.17 0.46 0.06 0.00 0.10 0.00 0.00 66.02 66.80 2kqn s SER 10 CO 0.75 -0.45 0.59 -1.48 0.98 0.00 0.00 173.24 173.63 2kqn s LEU 11 N -1.06 -0.28 -0.19 2.42 2.34 -0.51 -4.90 118.68 116.50 2kqn s LEU 11 Ca -0.06 0.81 -0.00 0.00 0.06 0.00 0.00 54.13 54.94 2kqn s LEU 11 Cb -0.01 2.15 0.01 0.00 -0.56 0.00 0.00 46.19 47.79 2kqn s LEU 11 CO 0.05 -0.43 -0.16 -0.44 -1.06 0.00 0.00 176.35 174.31 2kqn s SER 12 N -0.63 3.44 0.10 1.48 0.01 -1.26 -1.28 113.70 115.56 2kqn s SER 12 Ca -0.07 -0.58 0.07 0.00 1.31 0.00 0.00 55.95 56.67 2kqn s SER 12 Cb -0.03 -1.55 -0.03 0.00 0.21 0.00 0.00 66.02 64.62 2kqn s SER 12 CO 0.05 -0.01 -0.17 0.00 0.41 0.00 0.00 173.24 173.52 2kqn s ALA 13 N 1.34 1.56 0.27 1.44 0.00 0.72 -4.60 121.76 122.49 2kqn s ALA 13 Ca 0.05 -1.18 0.06 0.00 0.00 0.00 0.00 51.96 50.88 2kqn s ALA 13 Cb -0.13 -0.16 -0.02 0.00 0.00 0.00 0.00 23.12 22.80 2kqn s ALA 13 CO -0.10 0.25 0.39 0.45 0.00 0.00 0.00 175.76 176.74 2kqn s SER 14 N -1.98 6.16 -0.33 0.00 0.15 -1.26 -2.96 113.70 113.47 2kqn s SER 14 Ca 0.04 -0.04 -0.42 0.00 0.70 0.00 0.00 55.95 56.23 2kqn s SER 14 Cb -0.09 -1.62 -0.17 0.00 -1.71 0.00 0.00 66.02 62.43 2kqn s SER 14 CO 0.04 -0.19 1.66 0.52 1.20 0.00 0.00 173.24 176.46 2kqn n VAL 15 N -1.48 0.17 0.00 4.45 0.31 -1.26 -0.74 118.33 119.79 2kqn n VAL 15 Ca -0.06 -0.03 0.00 0.00 -0.01 0.00 0.00 64.34 64.24 2kqn n VAL 15 Cb 0.57 -0.91 0.00 0.00 -0.91 0.00 0.00 33.84 32.60 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 3.97 2.30 3.86 2.92 0.00 0.43 -4.86 105.19 113.81 2kqn n GLY 16 Ca 0.28 0.00 -0.31 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 -1.56 6.56 -0.05 1.61 1.01 0.08 -4.43 116.67 119.89 2kqn s ASP 17 Ca 0.00 1.37 -0.21 0.00 0.71 0.00 0.00 52.55 54.43 2kqn s ASP 17 Cb 0.00 -2.43 -0.05 0.00 1.01 0.00 0.00 42.92 41.46 2kqn s ASP 17 CO 0.00 -0.52 0.59 -0.13 0.21 0.00 0.00 175.17 175.32 2kqn s ARG 18 N -4.04 4.35 -0.13 8.23 0.52 -1.26 -1.02 118.95 125.60 2kqn s ARG 18 Ca 0.55 0.69 0.01 0.00 -0.52 0.00 0.00 55.73 56.47 2kqn s ARG 18 Cb -0.10 -3.39 -0.00 0.00 0.52 0.00 0.00 34.95 31.97 2kqn s ARG 18 CO 0.33 0.23 -0.17 0.08 0.02 0.00 0.00 175.30 175.79 2kqn s VAL 19 N 0.28 2.59 -0.21 3.52 1.01 -0.71 -4.93 120.40 121.95 2kqn s VAL 19 Ca 0.31 -0.81 -0.02 0.00 0.00 0.00 0.00 61.98 61.46 2kqn s VAL 19 Cb -0.17 -2.07 0.00 0.00 0.00 0.00 0.00 36.38 34.14 2kqn s VAL 19 CO 0.15 0.53 -0.09 -0.89 0.00 0.00 0.00 175.10 174.81 2kqn s THR 20 N 0.55 2.95 -0.04 3.92 2.01 -1.26 -0.86 115.64 122.90 2kqn s THR 20 Ca -0.11 -0.68 0.05 0.00 0.31 0.00 0.00 61.69 61.27 2kqn s THR 20 Cb -0.16 -2.34 -0.01 0.00 0.01 0.00 0.00 72.50 70.00 2kqn s THR 20 CO 0.04 0.43 -0.20 -0.63 -0.69 0.00 0.00 174.62 173.57 2kqn s ILE 21 N 1.41 1.67 -0.06 1.82 1.01 0.47 -4.64 121.20 122.87 2kqn s ILE 21 Ca 0.05 -0.86 0.06 0.00 0.00 0.00 0.00 60.65 59.90 2kqn s ILE 21 Cb -0.14 -1.42 -0.01 0.00 0.01 0.00 0.00 42.46 40.90 2kqn s ILE 21 CO -0.06 0.47 -0.24 0.42 0.00 0.00 0.00 174.94 175.53 2kqn s THR 22 N -0.10 1.96 -0.07 2.92 -4.23 0.18 0.36 115.64 116.65 2kqn s THR 22 Ca -0.02 -1.01 0.05 0.00 -1.18 0.00 0.00 61.69 59.53 2kqn s THR 22 Cb -0.12 -1.66 -0.01 0.00 1.34 0.00 0.00 72.50 72.05 2kqn s THR 22 CO 0.02 0.54 -0.24 0.00 -0.54 0.00 0.00 174.62 174.41 2kqn s GLN 24 N -0.02 2.09 -0.04 0.00 -0.21 0.17 -0.25 119.66 121.41 2kqn s GLN 24 Ca -0.08 -0.94 -0.02 0.00 0.02 0.00 0.00 55.36 54.34 2kqn s GLN 24 Cb -0.15 -2.05 -0.04 0.00 1.00 0.00 0.00 33.01 31.78 2kqn s GLN 24 CO 0.05 0.56 0.06 0.00 -2.12 0.00 0.00 175.29 173.84 2kqn s ALA 25 N -0.64 3.53 0.16 6.09 0.00 0.07 0.08 121.76 131.05 2kqn s ALA 25 Ca 0.10 -0.83 -0.15 0.00 0.00 0.00 0.00 51.96 51.08 2kqn s ALA 25 Cb -0.10 -1.59 0.05 0.00 0.00 0.00 0.00 23.12 21.48 2kqn s ALA 25 CO -0.01 0.65 1.80 1.03 0.00 0.00 0.00 175.76 179.24 2kqn h SER 26 N 4.49 0.39 -4.23 0.00 0.87 -1.17 -3.44 113.55 110.46 2kqn h SER 26 Ca -0.50 0.01 -0.36 0.00 -1.23 0.00 0.00 61.79 59.71 2kqn h SER 26 Cb 1.19 -0.07 -0.18 0.00 -0.44 0.00 0.00 62.40 62.90 2kqn h SER 26 CO 0.59 0.28 -0.74 -1.58 -0.53 0.00 0.00 176.83 174.85 2kqn s GLN 27 N -6.15 0.93 0.38 2.24 0.74 -1.26 -4.96 119.66 111.58 2kqn s GLN 27 Ca -0.13 -1.20 -0.27 0.00 0.05 0.00 0.00 55.36 53.81 2kqn s GLN 27 Cb 0.12 -0.69 -0.10 0.00 1.10 0.00 0.00 33.01 33.44 2kqn s GLN 27 CO 0.72 0.12 1.37 0.16 -0.55 0.00 0.00 175.29 177.11 2kqn s ASP 28 N -2.47 6.38 -0.10 6.67 -4.77 -1.26 -4.75 116.67 116.36 2kqn s ASP 28 Ca 0.07 2.81 0.14 0.00 -3.30 0.00 0.00 52.55 52.27 2kqn s ASP 28 Cb -0.03 -2.65 0.23 0.00 -1.09 0.00 0.00 42.92 39.37 2kqn s ASP 28 CO 0.01 -0.82 1.12 2.30 0.70 0.00 0.00 175.17 178.48 2kqn n ILE 29 N 0.35 1.36 0.00 2.11 -5.35 -1.17 -4.98 119.36 111.69 2kqn n ILE 29 Ca 0.02 -1.72 0.00 0.00 -0.27 0.00 0.00 62.75 60.78 2kqn n ILE 29 Cb 0.42 -0.01 0.00 0.00 -1.74 0.00 0.00 39.64 38.31 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 -0.97 0.00 -0.04 7.28 5.15 -1.26 -0.92 115.26 124.50 2kqn n ASN 30 Ca 0.12 0.00 0.00 0.00 -0.60 0.00 0.00 54.58 54.10 2kqn n ASN 30 Cb 0.68 0.00 0.00 0.00 -0.53 0.00 0.00 39.78 39.93 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 1.69 0.00 -4.56 1.20 6.94 -1.26 -0.72 115.26 118.55 2kqn n ASN 31 Ca 0.00 -0.99 -0.43 0.00 -0.02 0.00 0.00 54.58 53.14 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 2.87 -0.01 -2.53 2.02 -0.10 -2.63 117.35 116.97 2kqn s TYR 32 Ca 0.00 -1.60 0.04 0.00 -0.37 0.00 0.00 57.07 55.13 2kqn s TYR 32 Cb 0.00 -4.67 -0.01 0.00 -0.40 0.00 0.00 41.96 36.88 2kqn s TYR 32 CO 0.00 -1.75 -0.12 -1.17 -1.57 0.00 0.00 175.55 170.94 2kqn s LEU 33 N 3.87 2.00 -0.04 -1.29 1.98 -1.26 -2.72 118.68 121.22 2kqn s LEU 33 Ca 0.51 -0.22 0.06 0.00 -2.89 0.00 0.00 54.13 51.58 2kqn s LEU 33 Cb 0.02 -0.62 -0.01 0.00 0.66 0.00 0.00 46.19 46.24 2kqn s LEU 33 CO 0.04 0.14 -0.20 -0.63 -1.89 0.00 0.00 176.35 173.81 2kqn s ILE 34 N -0.23 1.65 -0.14 6.68 1.01 0.17 -0.63 121.20 129.72 2kqn s ILE 34 Ca 0.04 -0.86 -0.02 0.00 0.00 0.00 0.00 60.65 59.80 2kqn s ILE 34 Cb -0.05 -1.40 -0.03 0.00 0.01 0.00 0.00 42.46 41.00 2kqn s ILE 34 CO -0.00 0.47 -0.05 0.26 0.00 0.00 0.00 174.94 175.61 2kqn s TRP 35 N -0.21 2.99 0.18 3.97 0.52 0.21 -0.38 118.94 126.22 2kqn s TRP 35 Ca 0.01 -0.27 0.08 0.00 0.02 0.00 0.00 56.10 55.94 2kqn s TRP 35 Cb -0.11 -1.90 -0.04 0.00 -1.15 0.00 0.00 33.47 30.27 2kqn s TRP 35 CO 0.01 0.02 -0.16 0.71 0.02 0.00 0.00 176.95 177.55 2kqn s TYR 36 N 0.12 1.75 -0.15 -1.98 2.02 -0.15 -0.13 117.35 118.83 2kqn s TYR 36 Ca -0.02 -0.51 0.01 0.00 -0.37 0.00 0.00 57.07 56.18 2kqn s TYR 36 Cb -0.14 -0.85 0.02 0.00 -0.40 0.00 0.00 41.96 40.59 2kqn s TYR 36 CO 0.03 0.33 -0.15 1.14 -1.57 0.00 0.00 175.55 175.33 2kqn s GLN 37 N -3.12 2.43 -0.32 -0.62 -2.07 -0.56 -1.64 119.66 113.76 2kqn s GLN 37 Ca 0.18 -0.61 -0.09 0.00 -1.82 0.00 0.00 55.36 53.02 2kqn s GLN 37 Cb -0.04 -2.18 0.01 0.00 -1.09 0.00 0.00 33.01 29.71 2kqn s GLN 37 CO 0.07 -0.22 0.14 -1.14 -1.32 0.00 0.00 175.29 172.81 2kqn s GLN 38 N 1.41 3.15 -0.25 9.60 0.74 0.61 -2.05 119.66 132.86 2kqn s GLN 38 Ca 0.04 -0.84 -0.11 0.00 0.05 0.00 0.00 55.36 54.50 2kqn s GLN 38 Cb -0.13 -3.53 -0.05 0.00 1.10 0.00 0.00 33.01 30.41 2kqn s GLN 38 CO -0.10 -0.48 0.19 0.15 -0.55 0.00 0.00 175.29 174.50 2kqn s LYS 39 N 1.56 4.03 -0.29 1.67 1.02 -1.26 -1.20 119.74 125.27 2kqn s LYS 39 Ca 0.03 -0.25 -0.39 0.00 0.02 0.00 0.00 55.97 55.38 2kqn s LYS 39 Cb -0.18 -3.59 -0.15 0.00 -0.52 0.00 0.00 37.83 33.40 2kqn s LYS 39 CO 0.05 -0.05 1.86 -2.30 -0.92 0.00 0.00 175.35 174.00 2kqn n PRO 40 N 4.63 1.18 0.00 -1.68 -0.02 -1.26 -1.44 135.00 136.40 2kqn n PRO 40 Ca -0.14 0.41 0.00 0.00 -2.02 0.00 0.00 63.50 61.75 2kqn n PRO 40 Cb 0.52 -2.19 0.00 0.00 -0.02 0.00 0.00 33.50 31.81 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 4.83 2.69 3.73 -1.23 0.00 -1.26 -5.08 105.19 108.86 2kqn n GLY 41 Ca 0.30 -0.80 -0.24 0.00 0.00 0.00 0.00 46.02 45.28 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 2.30 0.76 1.61 -2.07 -0.52 -5.13 119.66 116.60 2kqn s GLN 42 Ca 0.00 -1.66 -0.11 0.00 -1.82 0.00 0.00 55.36 51.77 2kqn s GLN 42 Cb 0.00 -2.10 0.04 0.00 -1.09 0.00 0.00 33.01 29.87 2kqn s GLN 42 CO 0.00 0.03 1.09 0.00 -1.32 0.00 0.00 175.29 175.09 2kqn s ALA 43 N -2.49 2.48 0.11 2.60 0.00 -1.26 -4.49 121.76 118.71 2kqn s ALA 43 Ca 0.39 -0.19 -0.31 0.00 0.00 0.00 0.00 51.96 51.85 2kqn s ALA 43 Cb -0.00 -3.10 -0.09 0.00 0.00 0.00 0.00 23.12 19.92 2kqn s ALA 43 CO 0.23 -1.49 1.68 -1.25 0.00 0.00 0.00 175.76 174.92 2kqn s PRO 44 N -5.18 4.18 -0.15 0.00 0.04 -1.26 -4.64 135.00 127.99 2kqn s PRO 44 Ca 0.60 2.41 -0.17 0.00 0.04 0.00 0.00 61.00 63.88 2kqn s PRO 44 Cb -0.13 -3.46 -0.04 0.00 0.04 0.00 0.00 34.50 30.90 2kqn s PRO 44 CO 0.54 -0.73 0.43 0.21 0.04 0.00 0.00 177.00 177.49 2kqn s LYS 45 N 2.22 4.29 -0.04 4.56 2.47 -0.87 -4.86 119.74 127.50 2kqn s LYS 45 Ca 0.75 0.33 -0.30 0.00 -1.56 0.00 0.00 55.97 55.19 2kqn s LYS 45 Cb -0.43 -3.46 -0.06 0.00 -1.46 0.00 0.00 37.83 32.43 2kqn s LYS 45 CO 0.33 0.12 1.63 -1.17 0.16 0.00 0.00 175.35 176.42 2kqn s LEU 46 N 0.77 4.32 -0.21 5.43 0.20 -1.26 -1.50 118.68 126.44 2kqn s LEU 46 Ca 0.23 2.23 -0.11 0.00 0.69 0.00 0.00 54.13 57.17 2kqn s LEU 46 Cb -0.15 -3.54 -0.09 0.00 -0.43 0.00 0.00 46.19 41.99 2kqn s LEU 46 CO 0.08 -0.91 -0.27 -0.11 -0.29 0.00 0.00 176.35 174.85 2kqn n LEU 47 N 6.91 1.50 -4.06 -0.68 7.94 0.82 -4.81 117.00 124.61 2kqn n LEU 47 Ca 0.17 0.26 -0.18 0.00 -1.11 0.00 0.00 56.01 55.15 2kqn n LEU 47 Cb 0.43 -0.62 -0.14 0.00 0.53 0.00 0.00 43.42 43.62 2kqn n LEU 47 CO 0.62 0.41 -0.43 -0.63 -1.11 0.00 0.00 177.39 176.24 2kqn s ILE 48 N -2.40 0.77 0.19 1.96 1.01 -0.91 -2.10 121.20 119.71 2kqn s ILE 48 Ca -0.29 -0.64 0.01 0.00 0.00 0.00 0.00 60.65 59.73 2kqn s ILE 48 Cb 0.11 -0.69 -0.05 0.00 0.01 0.00 0.00 42.46 41.85 2kqn s ILE 48 CO 0.37 0.06 0.05 -0.72 0.00 0.00 0.00 174.94 174.70 2kqn s TYR 49 N -0.54 1.20 -2.11 3.97 -0.85 0.11 0.67 117.35 119.80 2kqn s TYR 49 Ca 0.01 -1.16 0.00 0.00 -0.52 0.00 0.00 57.07 55.40 2kqn s TYR 49 Cb -0.05 -0.67 0.00 0.00 0.38 0.00 0.00 41.96 41.61 2kqn s TYR 49 CO 0.00 -0.37 0.00 -3.47 -1.52 0.00 0.00 175.55 170.19 2kqn n ASP 50 N -0.26 -5.53 0.00 -0.18 2.03 -0.44 -0.17 116.55 112.00 2kqn n ASP 50 Ca -0.04 0.42 0.00 0.00 0.52 0.00 0.00 54.79 55.70 2kqn n ASP 50 Cb 0.64 -4.78 0.00 0.00 -0.72 0.00 0.00 41.12 36.26 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 -0.00 -1.67 0.00 0.19 -4.20 120.51 115.66 2kqn n ALA 51 Ca -0.21 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.23 2kqn n ALA 51 Cb 0.67 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.13 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 1.55 1.93 -4.57 0.00 7.64 -1.21 -3.90 113.62 115.07 2kqn n SER 52 Ca 0.00 -1.91 -0.36 0.00 1.01 0.00 0.00 58.87 57.61 2kqn n SER 52 Cb 0.00 -0.01 -0.11 0.00 -1.01 0.00 0.00 64.21 63.09 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 -0.91 4.80 0.13 0.44 2.01 0.76 -4.80 115.64 118.07 2kqn s THR 53 Ca 0.01 -0.02 -0.27 0.00 0.31 0.00 0.00 61.69 61.72 2kqn s THR 53 Cb 0.00 -3.22 -0.07 0.00 0.01 0.00 0.00 72.50 69.22 2kqn s THR 53 CO 0.00 0.37 0.85 -0.76 -0.69 0.00 0.00 174.62 174.39 2kqn s LEU 54 N 1.13 4.54 0.53 4.42 1.43 -1.26 0.08 118.68 129.55 2kqn s LEU 54 Ca 0.05 1.69 -0.20 0.00 -1.03 0.00 0.00 54.13 54.64 2kqn s LEU 54 Cb -0.14 -3.41 -0.06 0.00 0.03 0.00 0.00 46.19 42.61 2kqn s LEU 54 CO 0.04 0.07 1.14 -0.70 0.23 0.00 0.00 176.35 177.13 2kqn s GLU 55 N -0.55 3.42 -0.04 1.70 2.56 -0.89 -4.90 118.70 119.99 2kqn s GLU 55 Ca 0.40 1.64 -0.30 0.00 0.00 0.00 0.00 54.97 56.72 2kqn s GLU 55 Cb -0.23 -2.07 -0.06 0.00 2.00 0.00 0.00 34.13 33.77 2kqn s GLU 55 CO 0.27 -0.80 1.73 0.99 -0.56 0.00 0.00 175.26 176.89 2kqn s THR 56 N -1.73 3.45 0.00 -1.70 2.01 -1.26 -1.34 115.64 115.08 2kqn s THR 56 Ca 0.71 0.54 0.00 0.00 0.31 0.00 0.00 61.69 63.26 2kqn s THR 56 Cb -0.25 -3.35 0.00 0.00 0.01 0.00 0.00 72.50 68.91 2kqn s THR 56 CO 0.28 -0.05 0.00 0.61 -0.69 0.00 0.00 174.62 174.77 2kqn n GLY 57 N 4.25 0.80 3.61 4.40 0.00 -1.26 -5.07 105.19 111.92 2kqn n GLY 57 Ca 0.18 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.79 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 4.91 0.64 1.61 1.01 -0.45 -5.04 120.40 121.07 2kqn s VAL 58 Ca 0.00 1.04 -0.18 0.00 0.00 0.00 0.00 61.98 62.84 2kqn s VAL 58 Cb 0.00 -4.03 -0.02 0.00 0.00 0.00 0.00 36.38 32.34 2kqn s VAL 58 CO 0.00 -0.12 1.30 -2.84 0.00 0.00 0.00 175.10 173.44 2kqn s PRO 59 N 2.68 2.61 0.00 2.72 0.02 -1.26 -4.87 135.00 136.90 2kqn s PRO 59 Ca 0.28 2.08 0.11 0.00 0.02 0.00 0.00 61.00 63.49 2kqn s PRO 59 Cb -0.15 -1.89 0.53 0.00 0.02 0.00 0.00 34.50 33.02 2kqn s PRO 59 CO 0.11 -1.56 1.30 0.43 -0.33 0.00 0.00 177.00 176.95 2kqn n SER 60 N -1.82 0.00 0.25 2.53 7.64 -1.26 -1.96 113.62 119.00 2kqn n SER 60 Ca 0.15 0.28 0.10 0.00 1.01 0.00 0.00 58.87 60.41 2kqn n SER 60 Cb 0.48 -0.38 0.66 0.00 -1.01 0.00 0.00 64.21 63.96 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 -5.88 1.43 3.08 -1.95 -3.41 114.38 107.66 2kqn h ARG 61 Ca 0.00 0.00 -0.59 0.00 0.07 0.00 0.00 59.98 59.46 2kqn h ARG 61 Cb 0.14 0.00 -0.07 0.00 0.08 0.00 0.00 29.97 30.12 2kqn h ARG 61 CO 0.00 0.11 -0.16 -0.06 -1.07 0.00 0.00 179.97 178.80 2kqn s PHE 62 N -4.54 3.62 -0.06 3.04 0.08 -0.83 0.29 117.98 119.58 2kqn s PHE 62 Ca -0.04 0.96 -0.05 0.00 0.12 0.00 0.00 56.93 57.92 2kqn s PHE 62 Cb 0.15 -2.45 0.01 0.00 -0.57 0.00 0.00 43.02 40.17 2kqn s PHE 62 CO 0.63 0.38 0.15 -1.54 -0.10 0.00 0.00 175.22 174.74 2kqn s SER 63 N -0.16 -0.15 -0.08 1.36 1.04 -0.11 -4.97 113.70 110.64 2kqn s SER 63 Ca 0.25 0.30 0.03 0.00 0.48 0.00 0.00 55.95 57.01 2kqn s SER 63 Cb -0.16 0.30 0.00 0.00 0.10 0.00 0.00 66.02 66.27 2kqn s SER 63 CO 0.12 -0.05 -0.18 -0.83 0.98 0.00 0.00 173.24 173.28 2kqn s GLY 64 N 0.07 1.05 -0.03 7.32 0.00 -1.26 -0.35 107.32 114.12 2kqn s GLY 64 Ca -0.00 -0.70 0.00 0.00 0.00 0.00 0.00 44.72 44.02 2kqn s GLY 64 CO 0.00 -0.16 0.01 -1.35 0.00 0.00 0.00 173.10 171.61 2kqn s SER 65 N 0.41 0.36 0.00 1.64 1.04 0.32 -3.87 113.70 113.61 2kqn s SER 65 Ca -0.14 -0.00 0.00 0.00 0.48 0.00 0.00 55.95 56.28 2kqn s SER 65 Cb -0.16 -0.17 0.00 0.00 0.10 0.00 0.00 66.02 65.79 2kqn s SER 65 CO 0.06 -0.12 0.00 0.61 0.98 0.00 0.00 173.24 174.77 2kqn n GLY 66 N 4.22 1.93 3.51 7.32 0.00 -1.26 0.20 105.19 121.11 2kqn n GLY 66 Ca -0.26 -1.34 -0.15 0.00 0.00 0.00 0.00 46.02 44.27 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 -0.63 0.17 1.61 1.04 -0.72 -4.79 113.70 110.39 2kqn s SER 67 Ca 0.00 0.98 0.00 0.00 0.48 0.00 0.00 55.95 57.41 2kqn s SER 67 Cb 0.00 0.95 0.00 0.00 0.10 0.00 0.00 66.02 67.07 2kqn s SER 67 CO 0.00 -0.38 0.00 0.61 0.98 0.00 0.00 173.24 174.45 2kqn n GLY 68 N 1.94 1.58 0.02 7.32 0.00 0.10 -3.11 105.19 113.04 2kqn n GLY 68 Ca -0.16 0.16 0.06 0.00 0.00 0.00 0.00 46.02 46.08 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 -4.21 2.61 -2.24 -1.26 -3.05 114.28 106.13 2kqn n THR 69 Ca 0.00 -0.20 -0.20 0.00 -2.27 0.00 0.00 64.05 61.38 2kqn n THR 69 Cb 0.00 1.01 -0.16 0.00 -2.10 0.00 0.00 70.33 69.08 2kqn n THR 69 CO 0.00 0.00 0.00 -0.70 -0.57 0.00 0.00 175.07 173.80 2kqn s GLU 70 N -2.21 0.93 -0.02 -0.78 2.12 -1.18 -0.75 118.70 116.81 2kqn s GLU 70 Ca 0.05 -0.14 0.03 0.00 0.36 0.00 0.00 54.97 55.28 2kqn s GLU 70 Cb 0.10 -0.90 -0.00 0.00 0.26 0.00 0.00 34.13 33.58 2kqn s GLU 70 CO 0.53 -0.07 -0.11 -0.06 -0.54 0.00 0.00 175.26 175.01 2kqn s PHE 71 N 0.89 1.04 -0.15 5.30 0.08 0.65 -1.76 117.98 124.04 2kqn s PHE 71 Ca -0.11 -0.23 0.02 0.00 0.12 0.00 0.00 56.93 56.73 2kqn s PHE 71 Cb -0.14 -0.70 0.01 0.00 -0.57 0.00 0.00 43.02 41.62 2kqn s PHE 71 CO 0.01 -0.05 -0.21 0.99 -0.10 0.00 0.00 175.22 175.85 2kqn s THR 72 N -0.10 2.15 -0.21 0.64 2.01 0.13 -0.22 115.64 120.04 2kqn s THR 72 Ca 0.01 -0.95 -0.07 0.00 0.31 0.00 0.00 61.69 61.00 2kqn s THR 72 Cb -0.06 -1.87 -0.03 0.00 0.01 0.00 0.00 72.50 70.55 2kqn s THR 72 CO 0.00 0.54 0.05 0.12 -0.69 0.00 0.00 174.62 174.65 2kqn s PHE 73 N 0.87 3.15 -0.08 4.92 5.36 0.16 -0.52 117.98 131.82 2kqn s PHE 73 Ca -0.06 -0.18 0.01 0.00 -0.96 0.00 0.00 56.93 55.75 2kqn s PHE 73 Cb -0.15 -2.13 0.02 0.00 -0.34 0.00 0.00 43.02 40.41 2kqn s PHE 73 CO -0.03 -0.09 -0.10 0.99 -1.46 0.00 0.00 175.22 174.53 2kqn s THR 74 N 0.91 1.07 -0.32 0.12 2.01 0.53 -0.40 115.64 119.56 2kqn s THR 74 Ca 0.03 -0.39 -0.12 0.00 0.31 0.00 0.00 61.69 61.52 2kqn s THR 74 Cb -0.14 -1.03 -0.03 0.00 0.01 0.00 0.00 72.50 71.32 2kqn s THR 74 CO 0.02 0.36 0.21 -0.63 -0.69 0.00 0.00 174.62 173.89 2kqn s ILE 75 N 1.09 5.20 0.33 1.82 1.01 -0.04 -0.94 121.20 129.68 2kqn s ILE 75 Ca -0.07 -0.11 0.04 0.00 0.00 0.00 0.00 60.65 60.52 2kqn s ILE 75 Cb -0.14 -3.60 0.14 0.00 0.01 0.00 0.00 42.46 38.86 2kqn s ILE 75 CO -0.01 0.09 1.85 0.28 0.00 0.00 0.00 174.94 177.14 2kqn h SER 76 N 8.43 0.47 -1.48 3.58 0.02 -0.45 -1.89 113.55 122.23 2kqn h SER 76 Ca -0.33 -0.10 -0.06 0.00 -0.84 0.00 0.00 61.79 60.46 2kqn h SER 76 Cb 1.17 -0.12 -0.26 0.00 0.14 0.00 0.00 62.40 63.33 2kqn h SER 76 CO 0.60 0.58 -0.41 -0.55 -1.14 0.00 0.00 176.83 175.92 2kqn s SER 77 N -6.76 -0.47 0.33 3.07 0.15 -1.25 -4.27 113.70 104.50 2kqn s SER 77 Ca -0.07 0.34 -0.29 0.00 0.70 0.00 0.00 55.95 56.63 2kqn s SER 77 Cb 0.15 1.56 -0.12 0.00 -1.71 0.00 0.00 66.02 65.90 2kqn s SER 77 CO 0.77 -0.30 1.48 -0.11 1.20 0.00 0.00 173.24 176.28 2kqn n LEU 78 N 5.39 4.27 -4.46 3.45 -0.00 -0.19 -4.63 117.00 120.84 2kqn n LEU 78 Ca -0.01 1.19 -0.28 0.00 -0.00 0.00 0.00 56.01 56.91 2kqn n LEU 78 Cb 0.51 -1.57 -0.12 0.00 -0.00 0.00 0.00 43.42 42.24 2kqn n LEU 78 CO 0.02 -0.02 -0.51 -1.10 -0.00 0.00 0.00 177.39 175.78 2kqn s GLN 79 N -1.44 1.64 0.20 1.96 -1.52 -1.26 -0.43 119.66 118.82 2kqn s GLN 79 Ca 0.58 -1.35 -0.10 0.00 -1.95 0.00 0.00 55.36 52.54 2kqn s GLN 79 Cb -0.51 -1.98 0.21 0.00 -0.22 0.00 0.00 33.01 30.50 2kqn s GLN 79 CO 0.58 0.44 1.82 -1.00 -0.25 0.00 0.00 175.29 176.87 2kqn h PRO 80 N 3.47 0.69 0.00 2.91 0.13 -1.98 -1.60 132.00 135.61 2kqn h PRO 80 Ca -0.49 -0.04 0.00 0.00 -0.87 0.00 0.00 66.00 64.60 2kqn h PRO 80 Cb 1.19 -0.15 0.00 0.00 0.13 0.00 0.00 31.00 32.16 2kqn h PRO 80 CO 0.46 0.45 0.00 0.39 -0.23 0.00 0.00 178.00 179.07 2kqn n GLU 81 N -4.77 0.25 -0.07 0.86 1.02 -1.26 -3.17 120.64 113.50 2kqn n GLU 81 Ca 0.07 0.01 0.12 0.00 -0.02 0.00 0.00 57.16 57.34 2kqn n GLU 81 Cb 0.14 -1.50 0.36 0.00 -0.02 0.00 0.00 31.44 30.42 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 -1.37 1.99 -4.67 1.62 8.00 -0.60 -4.79 116.55 116.72 2kqn n ASP 82 Ca 0.11 -1.72 -0.42 0.00 0.71 0.00 0.00 54.79 53.47 2kqn n ASP 82 Cb 0.28 -0.09 -0.03 0.00 -0.02 0.00 0.00 41.12 41.26 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 -1.70 4.37 0.18 0.64 0.20 -1.19 -4.89 118.68 116.29 2kqn s LEU 83 Ca 0.34 2.44 -0.23 0.00 0.69 0.00 0.00 54.13 57.38 2kqn s LEU 83 Cb 0.19 -3.54 0.08 0.00 -0.43 0.00 0.00 46.19 42.48 2kqn s LEU 83 CO 0.29 -0.94 1.04 0.00 -0.29 0.00 0.00 176.35 176.45 2kqn s ALA 84 N 3.56 -1.63 -0.37 5.97 0.00 -1.24 -4.85 121.76 123.20 2kqn s ALA 84 Ca 0.77 -0.29 -0.17 0.00 0.00 0.00 0.00 51.96 52.28 2kqn s ALA 84 Cb -0.38 0.75 0.00 0.00 0.00 0.00 0.00 23.12 23.49 2kqn s ALA 84 CO 0.33 -1.07 0.44 0.99 0.00 0.00 0.00 175.76 176.45 2kqn s THR 85 N -2.24 5.09 0.12 0.00 2.01 -0.34 -2.42 115.64 117.86 2kqn s THR 85 Ca 0.21 0.04 -0.10 0.00 0.31 0.00 0.00 61.69 62.16 2kqn s THR 85 Cb -0.02 -3.93 -0.06 0.00 0.01 0.00 0.00 72.50 68.49 2kqn s THR 85 CO 0.05 -0.23 0.44 -0.31 -0.69 0.00 0.00 174.62 173.87 2kqn s TYR 86 N 2.19 3.55 0.25 4.92 2.02 -1.18 -0.29 117.35 128.81 2kqn s TYR 86 Ca 0.14 0.80 -0.15 0.00 -0.37 0.00 0.00 57.07 57.49 2kqn s TYR 86 Cb -0.16 -2.17 0.00 0.00 -0.40 0.00 0.00 41.96 39.23 2kqn s TYR 86 CO 0.13 0.46 0.53 1.52 -1.57 0.00 0.00 175.55 176.62 2kqn s TYR 87 N -1.50 0.21 -0.02 2.71 -0.85 -0.65 -4.26 117.35 112.99 2kqn s TYR 87 Ca 0.37 -0.60 0.05 0.00 -0.52 0.00 0.00 57.07 56.37 2kqn s TYR 87 Cb -0.13 0.30 -0.01 0.00 0.38 0.00 0.00 41.96 42.50 2kqn s TYR 87 CO 0.20 -1.03 -0.16 0.00 -1.52 0.00 0.00 175.55 173.04 2kqn s GLN 89 N -0.18 1.23 0.09 0.00 2.00 0.48 -0.19 119.66 123.10 2kqn s GLN 89 Ca 0.02 -0.50 0.07 0.00 -2.00 0.00 0.00 55.36 52.94 2kqn s GLN 89 Cb -0.08 -1.16 -0.04 0.00 0.80 0.00 0.00 33.01 32.52 2kqn s GLN 89 CO 0.00 0.28 -0.09 1.14 -0.50 0.00 0.00 175.29 176.12 2kqn s GLN 90 N -0.22 2.19 -0.10 1.67 1.03 -1.24 0.46 119.66 123.46 2kqn s GLN 90 Ca 0.03 -0.99 0.17 0.00 0.04 0.00 0.00 55.36 54.61 2kqn s GLN 90 Cb -0.07 -2.34 0.37 0.00 0.03 0.00 0.00 33.01 31.01 2kqn s GLN 90 CO -0.00 0.52 1.17 2.48 -2.54 0.00 0.00 175.29 176.92 2kqn n TYR 91 N 0.77 0.00 -0.01 9.60 4.11 -1.10 -4.59 117.16 125.94 2kqn n TYR 91 Ca -0.13 -0.89 -0.22 0.00 -0.00 0.00 0.00 57.90 56.66 2kqn n TYR 91 Cb 0.52 -0.18 -0.14 0.00 -0.00 0.00 0.00 39.34 39.55 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 0.81 0.36 -3.57 9.48 3.58 -1.87 -3.48 116.42 121.74 2kqn h ASP 92 Ca -0.10 -0.85 -0.22 0.00 0.42 0.00 0.00 57.03 56.29 2kqn h ASP 92 Cb 1.41 -0.12 -0.29 0.00 1.72 0.00 0.00 39.33 42.05 2kqn h ASP 92 CO 0.04 1.73 -0.57 0.21 -2.88 0.00 0.00 179.24 177.78 2kqn s ASN 93 N -7.04 -0.14 0.35 2.28 2.47 -1.26 -5.12 114.94 106.47 2kqn s ASN 93 Ca -0.22 0.32 -0.22 0.00 0.42 0.00 0.00 52.86 53.16 2kqn s ASN 93 Cb 0.06 0.26 -0.10 0.00 -1.45 0.00 0.00 41.25 40.01 2kqn s ASN 93 CO 0.75 -0.11 0.89 -0.76 -3.72 0.00 0.00 177.10 174.15 2kqn s LEU 94 N 0.72 4.17 0.57 3.21 1.43 -1.26 -4.06 118.68 123.46 2kqn s LEU 94 Ca -0.05 1.66 -0.16 0.00 -1.03 0.00 0.00 54.13 54.55 2kqn s LEU 94 Cb -0.07 -4.14 -0.05 0.00 0.03 0.00 0.00 46.19 41.96 2kqn s LEU 94 CO -0.04 -0.17 1.03 -2.16 0.23 0.00 0.00 176.35 175.25 2kqn s PRO 95 N -2.54 3.52 0.22 1.29 0.04 -1.26 -4.80 135.00 131.47 2kqn s PRO 95 Ca 0.54 1.11 -0.09 0.00 0.04 0.00 0.00 61.00 62.60 2kqn s PRO 95 Cb -0.14 -2.07 -0.07 0.00 0.04 0.00 0.00 34.50 32.26 2kqn s PRO 95 CO 0.19 -0.64 0.54 0.71 0.04 0.00 0.00 177.00 177.84 2kqn s TYR 96 N -2.53 3.43 0.02 0.56 2.02 -1.26 -4.12 117.35 115.46 2kqn s TYR 96 Ca 0.62 0.84 0.02 0.00 -0.37 0.00 0.00 57.07 58.19 2kqn s TYR 96 Cb -0.14 -2.24 -0.01 0.00 -0.40 0.00 0.00 41.96 39.17 2kqn s TYR 96 CO 0.36 0.28 -0.08 0.95 -1.57 0.00 0.00 175.55 175.48 2kqn s THR 97 N -1.81 0.61 -0.10 -0.71 -4.23 -1.26 -5.04 115.64 103.10 2kqn s THR 97 Ca 0.47 -0.63 -0.10 0.00 -1.18 0.00 0.00 61.69 60.25 2kqn s THR 97 Cb -0.11 -0.57 -0.05 0.00 1.34 0.00 0.00 72.50 73.11 2kqn s THR 97 CO 0.22 -0.04 0.21 -0.36 -0.54 0.00 0.00 174.62 174.11 2kqn s PHE 98 N -0.63 3.60 -0.54 3.99 0.08 -1.26 -3.73 117.98 119.49 2kqn s PHE 98 Ca -0.01 0.63 -0.16 0.00 0.12 0.00 0.00 56.93 57.50 2kqn s PHE 98 Cb -0.06 -2.07 0.12 0.00 -0.57 0.00 0.00 43.02 40.45 2kqn s PHE 98 CO 0.00 0.64 0.52 0.20 -0.10 0.00 0.00 175.22 176.48 2kqn s GLY 99 N -0.80 2.06 -0.26 4.36 0.00 0.74 -4.82 107.32 108.59 2kqn s GLY 99 Ca 0.17 -2.49 0.04 0.00 0.00 0.00 0.00 44.72 42.44 2kqn s GLY 99 CO 0.06 1.23 1.53 0.61 0.00 0.00 0.00 173.10 176.52 2kqn n GLN 100 N 5.36 2.28 0.00 2.90 0.00 -1.26 -3.34 117.38 123.32 2kqn n GLN 100 Ca -0.13 -1.99 0.05 0.00 0.00 0.00 0.00 57.00 54.92 2kqn n GLN 100 Cb 0.40 -1.83 0.29 0.00 0.00 0.00 0.00 30.24 29.11 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 -0.32 -0.58 2.84 2.61 0.00 -1.26 -4.60 105.19 103.89 2kqn n GLY 101 Ca 0.34 -0.06 -0.22 0.00 0.00 0.00 0.00 46.02 46.08 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 0.50 -0.20 2.61 2.01 -1.25 -2.96 115.64 114.35 2kqn s THR 102 Ca 0.15 -0.02 -0.02 0.00 0.31 0.00 0.00 61.69 62.11 2kqn s THR 102 Cb 0.07 -0.58 -0.00 0.00 0.01 0.00 0.00 72.50 71.99 2kqn s THR 102 CO 0.11 0.25 -0.09 -0.75 -0.69 0.00 0.00 174.62 173.45 2kqn s LYS 103 N 1.46 3.29 -0.15 4.92 2.36 -0.40 -3.13 119.74 128.10 2kqn s LYS 103 Ca -0.03 -0.68 -0.06 0.00 -2.55 0.00 0.00 55.97 52.65 2kqn s LYS 103 Cb -0.13 -2.85 -0.04 0.00 -1.05 0.00 0.00 37.83 33.76 2kqn s LYS 103 CO -0.03 -0.14 0.07 -1.17 1.55 0.00 0.00 175.35 175.63 2kqn s LEU 104 N 1.26 3.90 0.28 5.43 1.98 -1.01 -1.42 118.68 129.09 2kqn s LEU 104 Ca 0.03 0.19 0.05 0.00 -2.89 0.00 0.00 54.13 51.51 2kqn s LEU 104 Cb -0.14 -1.96 -0.06 0.00 0.66 0.00 0.00 46.19 44.69 2kqn s LEU 104 CO -0.04 0.27 -0.01 -1.61 -1.89 0.00 0.00 176.35 173.07 2kqn s GLU 105 N -0.24 1.51 -0.06 1.98 2.02 -0.40 -3.71 118.70 119.80 2kqn s GLU 105 Ca 0.08 -1.79 -0.02 0.00 0.02 0.00 0.00 54.97 53.26 2kqn s GLU 105 Cb -0.12 -0.93 -0.04 0.00 0.10 0.00 0.00 34.13 33.15 2kqn s GLU 105 CO 0.01 -0.06 0.07 0.42 0.02 0.00 0.00 175.26 175.72 2kqn s ILE 106 N -3.20 4.78 -0.43 -1.63 1.01 -1.23 -0.20 121.20 120.29 2kqn s ILE 106 Ca 0.31 -0.21 -0.28 0.00 0.00 0.00 0.00 60.65 60.47 2kqn s ILE 106 Cb 0.06 -3.10 -0.01 0.00 0.01 0.00 0.00 42.46 39.41 2kqn s ILE 106 CO 0.12 0.50 1.74 -0.54 0.00 0.00 0.00 174.94 176.76 2kqn s LYS 107 N -1.29 3.16 0.00 2.79 1.02 -1.15 -4.77 119.74 119.49 2kqn s LYS 107 Ca 0.18 1.07 0.30 0.00 0.02 0.00 0.00 55.97 57.54 2kqn s LYS 107 Cb -0.12 -4.22 1.49 0.00 -0.52 0.00 0.00 37.83 34.46 2kqn s LYS 107 CO 0.08 -2.07 2.00 -2.13 -0.92 0.00 0.00 175.35 172.30