#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 4.90 0.06 5.18 1.01 -1.26 -4.83 121.20 126.25 2kqn s ILE 2 Ca 0.00 -0.08 -0.22 0.00 0.00 0.00 0.00 60.65 60.35 2kqn s ILE 2 Cb 0.00 -4.18 -0.06 0.00 0.01 0.00 0.00 42.46 38.23 2kqn s ILE 2 CO 0.00 -0.58 0.66 -1.58 0.00 0.00 0.00 174.94 173.43 2kqn s GLN 3 N 2.63 4.37 -0.33 2.79 2.00 -1.26 -4.49 119.66 125.36 2kqn s GLN 3 Ca 0.19 0.88 -0.07 0.00 -2.00 0.00 0.00 55.36 54.36 2kqn s GLN 3 Cb -0.15 -3.30 0.03 0.00 0.80 0.00 0.00 33.01 30.38 2kqn s GLN 3 CO 0.17 0.46 0.11 -1.64 -0.50 0.00 0.00 175.29 173.89 2kqn s MET 4 N -0.57 2.77 -0.36 1.67 -1.94 -1.26 0.26 119.30 119.87 2kqn s MET 4 Ca 0.33 -1.08 -0.14 0.00 -1.71 0.00 0.00 55.69 53.09 2kqn s MET 4 Cb -0.20 -3.48 -0.01 0.00 2.01 0.00 0.00 34.83 33.16 2kqn s MET 4 CO 0.20 -0.61 0.29 0.99 -0.01 0.00 0.00 175.02 175.88 2kqn s THR 5 N 1.45 5.24 -0.06 2.05 2.01 0.13 -4.03 115.64 122.44 2kqn s THR 5 Ca -0.00 -0.23 0.00 0.00 0.31 0.00 0.00 61.69 61.78 2kqn s THR 5 Cb -0.19 -3.79 -0.03 0.00 0.01 0.00 0.00 72.50 68.50 2kqn s THR 5 CO 0.03 -0.10 -0.04 -1.58 -0.69 0.00 0.00 174.62 172.24 2kqn s GLN 6 N 1.81 2.79 0.01 4.92 0.74 -1.26 0.72 119.66 129.39 2kqn s GLN 6 Ca 0.08 -0.54 -0.03 0.00 0.05 0.00 0.00 55.36 54.92 2kqn s GLN 6 Cb -0.17 -2.64 -0.01 0.00 1.10 0.00 0.00 33.01 31.28 2kqn s GLN 6 CO 0.11 0.66 0.04 -1.12 -0.55 0.00 0.00 175.29 174.43 2kqn s SER 7 N -0.97 0.15 0.97 6.67 0.01 0.68 -4.20 113.70 117.01 2kqn s SER 7 Ca 0.14 -0.36 -0.14 0.00 1.31 0.00 0.00 55.95 56.89 2kqn s SER 7 Cb -0.11 0.14 0.18 0.00 0.21 0.00 0.00 66.02 66.44 2kqn s SER 7 CO 0.03 -0.32 1.18 -2.16 0.41 0.00 0.00 173.24 172.38 2kqn s PRO 8 N -1.37 0.63 0.26 12.44 0.04 -1.26 -0.19 135.00 145.55 2kqn s PRO 8 Ca -0.15 0.06 0.02 0.00 0.04 0.00 0.00 61.00 60.97 2kqn s PRO 8 Cb -0.09 -1.80 0.35 0.00 0.04 0.00 0.00 34.50 33.01 2kqn s PRO 8 CO 0.00 -2.50 1.67 0.66 0.04 0.00 0.00 177.00 176.87 2kqn h SER 9 N -1.71 0.47 -4.51 6.66 4.64 -1.79 -3.34 113.55 113.96 2kqn h SER 9 Ca -0.48 -0.18 -0.02 0.00 -0.47 0.00 0.00 61.79 60.64 2kqn h SER 9 Cb 1.30 -0.13 -0.21 0.00 -0.31 0.00 0.00 62.40 63.06 2kqn h SER 9 CO 0.52 0.78 0.26 -0.94 -0.87 0.00 0.00 176.83 176.58 2kqn s SER 10 N -6.84 -0.61 -0.23 4.97 1.04 -1.26 -1.65 113.70 109.12 2kqn s SER 10 Ca -0.06 0.82 -0.19 0.00 0.48 0.00 0.00 55.95 56.99 2kqn s SER 10 Cb 0.13 0.70 0.06 0.00 0.10 0.00 0.00 66.02 67.02 2kqn s SER 10 CO 0.80 -0.46 0.60 -1.48 0.98 0.00 0.00 173.24 173.68 2kqn s LEU 11 N -0.76 -0.40 -0.14 2.42 2.34 -0.39 -4.91 118.68 116.83 2kqn s LEU 11 Ca -0.06 1.24 -0.05 0.00 0.06 0.00 0.00 54.13 55.32 2kqn s LEU 11 Cb -0.01 2.06 -0.04 0.00 -0.56 0.00 0.00 46.19 47.64 2kqn s LEU 11 CO 0.06 -0.21 0.03 -0.44 -1.06 0.00 0.00 176.35 174.73 2kqn s SER 12 N 0.66 5.44 0.01 1.48 0.01 -1.26 -2.38 113.70 117.66 2kqn s SER 12 Ca -0.03 0.10 0.02 0.00 1.31 0.00 0.00 55.95 57.35 2kqn s SER 12 Cb -0.05 -1.80 -0.01 0.00 0.21 0.00 0.00 66.02 64.37 2kqn s SER 12 CO -0.04 0.26 -0.07 0.00 0.41 0.00 0.00 173.24 173.80 2kqn s ALA 13 N -0.13 0.53 0.30 1.44 0.00 0.17 -4.68 121.76 119.38 2kqn s ALA 13 Ca 0.06 -0.42 0.03 0.00 0.00 0.00 0.00 51.96 51.63 2kqn s ALA 13 Cb -0.12 -0.07 -0.03 0.00 0.00 0.00 0.00 23.12 22.90 2kqn s ALA 13 CO 0.02 0.08 0.46 -1.54 0.00 0.00 0.00 175.76 174.78 2kqn s SER 14 N -0.61 6.26 -0.32 0.00 1.04 -1.26 -3.08 113.70 115.73 2kqn s SER 14 Ca -0.02 0.21 -0.41 0.00 0.48 0.00 0.00 55.95 56.22 2kqn s SER 14 Cb -0.05 -1.86 -0.16 0.00 0.10 0.00 0.00 66.02 64.05 2kqn s SER 14 CO 0.00 -0.22 1.74 0.52 0.98 0.00 0.00 173.24 176.26 2kqn n VAL 15 N -1.62 0.26 0.00 5.02 0.31 -1.26 -0.21 118.33 120.83 2kqn n VAL 15 Ca -0.06 -0.05 0.00 0.00 -0.01 0.00 0.00 64.34 64.22 2kqn n VAL 15 Cb 0.57 -1.13 0.00 0.00 -0.91 0.00 0.00 33.84 32.37 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 4.27 2.46 3.77 2.92 0.00 0.19 -4.84 105.19 113.97 2kqn n GLY 16 Ca 0.28 0.00 -0.34 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 -0.59 5.53 -0.18 1.61 1.01 0.70 -4.33 116.67 120.42 2kqn s ASP 17 Ca 0.00 2.10 -0.18 0.00 0.71 0.00 0.00 52.55 55.18 2kqn s ASP 17 Cb 0.00 -2.57 -0.04 0.00 1.01 0.00 0.00 42.92 41.33 2kqn s ASP 17 CO 0.00 -1.35 0.49 -0.60 0.21 0.00 0.00 175.17 173.92 2kqn s ARG 18 N -3.58 4.23 -0.13 8.23 3.52 -1.24 -1.13 118.95 128.85 2kqn s ARG 18 Ca 0.70 0.40 -0.01 0.00 -0.13 0.00 0.00 55.73 56.69 2kqn s ARG 18 Cb -0.22 -3.52 -0.02 0.00 -1.56 0.00 0.00 34.95 29.62 2kqn s ARG 18 CO 0.32 -0.05 -0.08 0.08 -0.81 0.00 0.00 175.30 174.76 2kqn s VAL 19 N 1.30 3.53 -0.17 7.11 1.01 -0.07 -4.93 120.40 128.18 2kqn s VAL 19 Ca 0.24 -0.50 0.01 0.00 0.00 0.00 0.00 61.98 61.73 2kqn s VAL 19 Cb -0.15 -2.50 0.02 0.00 0.00 0.00 0.00 36.38 33.75 2kqn s VAL 19 CO 0.10 0.53 -0.18 -0.89 0.00 0.00 0.00 175.10 174.65 2kqn s THR 20 N 0.12 1.93 0.08 3.92 2.01 -1.26 -0.33 115.64 122.10 2kqn s THR 20 Ca -0.03 -0.88 0.08 0.00 0.31 0.00 0.00 61.69 61.17 2kqn s THR 20 Cb -0.14 -1.77 -0.03 0.00 0.01 0.00 0.00 72.50 70.57 2kqn s THR 20 CO 0.04 0.50 -0.22 -0.63 -0.69 0.00 0.00 174.62 173.61 2kqn s ILE 21 N 1.34 1.79 -0.02 1.82 1.01 0.16 -4.68 121.20 122.61 2kqn s ILE 21 Ca 0.04 -1.41 0.03 0.00 0.00 0.00 0.00 60.65 59.32 2kqn s ILE 21 Cb -0.13 -1.58 -0.00 0.00 0.01 0.00 0.00 42.46 40.75 2kqn s ILE 21 CO -0.12 0.11 -0.12 0.42 0.00 0.00 0.00 174.94 175.22 2kqn s THR 22 N -0.96 1.02 -0.08 2.92 -4.23 0.73 0.13 115.64 115.17 2kqn s THR 22 Ca 0.08 -0.52 0.04 0.00 -1.18 0.00 0.00 61.69 60.12 2kqn s THR 22 Cb -0.09 -0.88 -0.01 0.00 1.34 0.00 0.00 72.50 72.86 2kqn s THR 22 CO 0.03 0.30 -0.22 0.00 -0.54 0.00 0.00 174.62 174.19 2kqn s GLN 24 N 0.02 2.62 0.03 0.00 -0.21 0.22 -0.50 119.66 121.85 2kqn s GLN 24 Ca -0.08 -0.70 -0.19 0.00 0.02 0.00 0.00 55.36 54.40 2kqn s GLN 24 Cb -0.15 -2.20 -0.06 0.00 1.00 0.00 0.00 33.01 31.60 2kqn s GLN 24 CO 0.05 -0.09 0.57 0.00 -2.12 0.00 0.00 175.29 173.70 2kqn s ALA 25 N 1.03 3.55 0.32 6.09 0.00 0.27 0.21 121.76 133.24 2kqn s ALA 25 Ca -0.04 0.01 0.06 0.00 0.00 0.00 0.00 51.96 51.99 2kqn s ALA 25 Cb -0.15 -2.66 0.56 0.00 0.00 0.00 0.00 23.12 20.88 2kqn s ALA 25 CO -0.04 0.30 1.80 1.03 0.00 0.00 0.00 175.76 178.85 2kqn h SER 26 N 5.05 0.34 -4.11 0.00 0.87 -0.53 -3.43 113.55 111.75 2kqn h SER 26 Ca -0.48 -0.10 -0.41 0.00 -1.23 0.00 0.00 61.79 59.57 2kqn h SER 26 Cb 1.21 -0.09 -0.28 0.00 -0.44 0.00 0.00 62.40 62.79 2kqn h SER 26 CO 0.66 0.58 -0.78 -1.58 -0.53 0.00 0.00 176.83 175.17 2kqn s GLN 27 N -4.55 0.82 0.53 2.24 0.74 -1.26 -4.93 119.66 113.25 2kqn s GLN 27 Ca -0.06 -0.40 -0.19 0.00 0.05 0.00 0.00 55.36 54.76 2kqn s GLN 27 Cb 0.14 -0.79 -0.06 0.00 1.10 0.00 0.00 33.01 33.40 2kqn s GLN 27 CO 0.76 0.21 1.09 0.16 -0.55 0.00 0.00 175.29 176.97 2kqn s ASP 28 N -0.34 5.92 -0.04 6.67 -4.77 -1.26 -4.82 116.67 118.01 2kqn s ASP 28 Ca 0.03 2.05 0.08 0.00 -3.30 0.00 0.00 52.55 51.41 2kqn s ASP 28 Cb -0.04 -2.57 0.14 0.00 -1.09 0.00 0.00 42.92 39.36 2kqn s ASP 28 CO -0.00 -1.08 1.07 2.30 0.70 0.00 0.00 175.17 178.15 2kqn n ILE 29 N -1.30 0.59 0.00 2.11 -5.35 -1.13 -4.99 119.36 109.28 2kqn n ILE 29 Ca 0.10 -0.83 0.00 0.00 -0.27 0.00 0.00 62.75 61.75 2kqn n ILE 29 Cb 0.52 0.32 0.00 0.00 -1.74 0.00 0.00 39.64 38.74 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 -0.38 0.00 -0.13 7.28 3.02 -1.26 -1.10 115.26 122.69 2kqn n ASN 30 Ca 0.06 0.00 0.00 0.00 -0.03 0.00 0.00 54.58 54.61 2kqn n ASN 30 Cb 0.73 0.00 0.00 0.00 -0.61 0.00 0.00 39.78 39.90 2kqn n ASN 30 CO 0.00 0.00 0.00 -0.46 -2.62 0.00 0.00 177.26 174.18 2kqn n ASN 31 N 1.88 0.00 -4.57 6.41 6.94 -1.26 0.06 115.26 124.72 2kqn n ASN 31 Ca 0.00 -1.08 -0.43 0.00 -0.02 0.00 0.00 54.58 53.05 2kqn n ASN 31 Cb 0.00 -0.02 -0.00 0.00 -2.36 0.00 0.00 39.78 37.40 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 2.80 0.04 -2.53 2.02 -0.26 -3.10 117.35 116.32 2kqn s TYR 32 Ca 0.00 -1.62 0.05 0.00 -0.37 0.00 0.00 57.07 55.12 2kqn s TYR 32 Cb 0.00 -4.74 -0.02 0.00 -0.40 0.00 0.00 41.96 36.80 2kqn s TYR 32 CO 0.00 -1.80 -0.13 -1.17 -1.57 0.00 0.00 175.55 170.88 2kqn s LEU 33 N 4.16 2.19 -0.01 -1.29 2.96 -1.26 -2.34 118.68 123.08 2kqn s LEU 33 Ca 0.53 -0.47 0.05 0.00 -0.22 0.00 0.00 54.13 54.02 2kqn s LEU 33 Cb 0.04 -0.55 -0.01 0.00 0.50 0.00 0.00 46.19 46.16 2kqn s LEU 33 CO 0.07 0.00 -0.15 -0.63 -1.32 0.00 0.00 176.35 174.32 2kqn s ILE 34 N -0.92 1.22 -0.12 6.68 1.09 0.20 -0.79 121.20 128.56 2kqn s ILE 34 Ca 0.00 -0.66 -0.01 0.00 -1.10 0.00 0.00 60.65 58.89 2kqn s ILE 34 Cb -0.08 -1.02 -0.02 0.00 -1.06 0.00 0.00 42.46 40.28 2kqn s ILE 34 CO 0.01 0.35 -0.08 0.26 -0.10 0.00 0.00 174.94 175.38 2kqn s TRP 35 N -0.33 2.91 0.27 3.97 0.52 0.23 0.04 118.94 126.56 2kqn s TRP 35 Ca 0.05 -0.35 0.06 0.00 0.02 0.00 0.00 56.10 55.89 2kqn s TRP 35 Cb -0.06 -1.85 -0.06 0.00 -1.15 0.00 0.00 33.47 30.35 2kqn s TRP 35 CO -0.00 -0.01 -0.06 0.71 0.02 0.00 0.00 176.95 177.61 2kqn s TYR 36 N 0.05 1.92 -0.14 -1.98 2.02 -0.66 -0.22 117.35 118.34 2kqn s TYR 36 Ca -0.02 -0.70 0.01 0.00 -0.37 0.00 0.00 57.07 55.98 2kqn s TYR 36 Cb -0.14 -1.09 0.02 0.00 -0.40 0.00 0.00 41.96 40.35 2kqn s TYR 36 CO 0.03 0.27 -0.16 1.14 -1.57 0.00 0.00 175.55 175.26 2kqn s GLN 37 N -3.73 2.47 -0.49 -0.62 -2.07 -0.46 -2.89 119.66 111.86 2kqn s GLN 37 Ca 0.29 -0.64 -0.17 0.00 -1.82 0.00 0.00 55.36 53.02 2kqn s GLN 37 Cb 0.04 -2.15 0.07 0.00 -1.09 0.00 0.00 33.01 29.87 2kqn s GLN 37 CO 0.11 -0.16 0.51 -1.14 -1.32 0.00 0.00 175.29 173.30 2kqn s GLN 38 N 1.24 3.04 -0.38 9.60 -0.44 0.58 -1.75 119.66 131.54 2kqn s GLN 38 Ca 0.00 -1.16 -0.21 0.00 -2.50 0.00 0.00 55.36 51.49 2kqn s GLN 38 Cb -0.14 -4.13 0.01 0.00 -1.64 0.00 0.00 33.01 27.11 2kqn s GLN 38 CO -0.07 -1.14 0.65 0.15 0.50 0.00 0.00 175.29 175.38 2kqn s LYS 39 N 2.10 3.58 -0.26 1.67 1.02 -1.26 -1.65 119.74 124.94 2kqn s LYS 39 Ca 0.09 -0.03 -0.34 0.00 0.02 0.00 0.00 55.97 55.71 2kqn s LYS 39 Cb -0.22 -3.85 -0.10 0.00 -0.52 0.00 0.00 37.83 33.14 2kqn s LYS 39 CO 0.09 -0.82 2.10 -0.35 -0.92 0.00 0.00 175.35 175.45 2kqn n PRO 40 N 6.15 1.48 0.00 -1.68 -0.04 -1.26 -1.10 135.00 138.55 2kqn n PRO 40 Ca -0.01 0.45 0.00 0.00 -0.04 0.00 0.00 63.50 63.90 2kqn n PRO 40 Cb 0.48 -2.63 0.00 0.00 -0.04 0.00 0.00 33.50 31.32 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 5.80 1.24 3.65 0.55 0.00 -1.26 -5.07 105.19 110.11 2kqn n GLY 41 Ca 0.34 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 46.13 2kqn n GLY 41 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 2kqn s GLN 42 N -0.03 2.33 0.49 1.61 0.74 -0.26 -5.11 119.66 119.43 2kqn s GLN 42 Ca 0.00 -1.38 -0.22 0.00 0.05 0.00 0.00 55.36 53.81 2kqn s GLN 42 Cb 0.00 -2.19 -0.07 0.00 1.10 0.00 0.00 33.01 31.85 2kqn s GLN 42 CO 0.00 0.37 1.17 0.00 -0.55 0.00 0.00 175.29 176.29 2kqn s ALA 43 N -2.28 2.89 0.70 1.58 0.00 -1.26 -4.45 121.76 118.94 2kqn s ALA 43 Ca 0.31 0.95 -0.15 0.00 0.00 0.00 0.00 51.96 53.06 2kqn s ALA 43 Cb -0.07 -3.39 0.02 0.00 0.00 0.00 0.00 23.12 19.68 2kqn s ALA 43 CO 0.20 -0.75 1.19 -1.25 0.00 0.00 0.00 175.76 175.15 2kqn s PRO 44 N -2.85 2.36 -0.12 0.00 0.04 -1.26 -4.67 135.00 128.49 2kqn s PRO 44 Ca 0.66 1.71 -0.00 0.00 0.04 0.00 0.00 61.00 63.41 2kqn s PRO 44 Cb -0.29 -1.87 -0.02 0.00 0.04 0.00 0.00 34.50 32.37 2kqn s PRO 44 CO 0.34 -1.66 -0.13 0.21 0.04 0.00 0.00 177.00 175.81 2kqn s LYS 45 N -3.86 3.33 0.00 4.56 2.47 -0.72 -4.92 119.74 120.59 2kqn s LYS 45 Ca 0.74 -0.67 -0.30 0.00 -1.56 0.00 0.00 55.97 54.17 2kqn s LYS 45 Cb -0.28 -2.63 -0.06 0.00 -1.46 0.00 0.00 37.83 33.40 2kqn s LYS 45 CO 0.43 0.25 1.53 -1.17 0.16 0.00 0.00 175.35 176.55 2kqn s LEU 46 N 0.25 4.33 -0.16 5.43 0.20 -1.26 -1.36 118.68 126.11 2kqn s LEU 46 Ca -0.09 2.24 -0.10 0.00 0.69 0.00 0.00 54.13 56.87 2kqn s LEU 46 Cb -0.15 -3.55 -0.07 0.00 -0.43 0.00 0.00 46.19 41.98 2kqn s LEU 46 CO 0.05 -0.82 -0.23 -0.11 -0.29 0.00 0.00 176.35 174.95 2kqn n LEU 47 N 5.88 1.37 -4.08 -0.68 7.94 0.69 -4.85 117.00 123.28 2kqn n LEU 47 Ca 0.15 0.23 -0.20 0.00 -1.11 0.00 0.00 56.01 55.08 2kqn n LEU 47 Cb 0.43 -0.55 -0.15 0.00 0.53 0.00 0.00 43.42 43.68 2kqn n LEU 47 CO 0.61 0.17 -0.46 -0.63 -1.11 0.00 0.00 177.39 175.97 2kqn s ILE 48 N -2.40 0.94 0.22 1.96 1.01 -0.97 -2.81 121.20 119.16 2kqn s ILE 48 Ca -0.24 -0.57 0.01 0.00 0.00 0.00 0.00 60.65 59.85 2kqn s ILE 48 Cb 0.08 -0.80 -0.05 0.00 0.01 0.00 0.00 42.46 41.70 2kqn s ILE 48 CO 0.31 0.22 0.06 -0.72 0.00 0.00 0.00 174.94 174.81 2kqn s TYR 49 N -0.37 1.37 -1.73 3.97 -0.85 0.67 0.77 117.35 121.19 2kqn s TYR 49 Ca 0.04 -1.13 0.00 0.00 -0.52 0.00 0.00 57.07 55.46 2kqn s TYR 49 Cb -0.05 -0.78 0.00 0.00 0.38 0.00 0.00 41.96 41.50 2kqn s TYR 49 CO -0.00 -0.31 0.00 -3.47 -1.52 0.00 0.00 175.55 170.25 2kqn n ASP 50 N -0.35 -5.18 0.00 -0.18 2.03 0.03 -0.20 116.55 112.70 2kqn n ASP 50 Ca -0.03 0.40 0.00 0.00 0.52 0.00 0.00 54.79 55.69 2kqn n ASP 50 Cb 0.65 -4.11 0.00 0.00 -0.72 0.00 0.00 41.12 36.93 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 1.30 0.00 -0.78 -1.67 0.00 -0.62 -4.24 120.51 114.49 2kqn n ALA 51 Ca -0.16 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.28 2kqn n ALA 51 Cb 0.57 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.02 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 0.45 0.39 -4.53 0.00 2.88 -1.18 -3.25 113.62 108.39 2kqn n SER 52 Ca 0.00 -1.17 -0.35 0.00 -1.33 0.00 0.00 58.87 56.02 2kqn n SER 52 Cb 0.00 0.00 -0.11 0.00 -0.75 0.00 0.00 64.21 63.35 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 -0.17 4.30 0.07 2.46 2.01 0.72 -4.83 115.64 120.21 2kqn s THR 53 Ca 0.00 -0.20 -0.26 0.00 0.31 0.00 0.00 61.69 61.54 2kqn s THR 53 Cb 0.00 -2.94 -0.06 0.00 0.01 0.00 0.00 72.50 69.51 2kqn s THR 53 CO 0.00 0.44 0.79 -0.76 -0.69 0.00 0.00 174.62 174.40 2kqn s LEU 54 N 0.72 4.48 0.45 4.42 1.43 -1.26 -0.23 118.68 128.68 2kqn s LEU 54 Ca 0.01 1.52 -0.22 0.00 -1.03 0.00 0.00 54.13 54.41 2kqn s LEU 54 Cb -0.14 -3.28 -0.09 0.00 0.03 0.00 0.00 46.19 42.72 2kqn s LEU 54 CO 0.02 0.04 1.04 -0.70 0.23 0.00 0.00 176.35 176.98 2kqn s GLU 55 N -0.22 3.97 -0.05 1.70 -6.30 -1.12 -4.93 118.70 111.74 2kqn s GLU 55 Ca 0.39 1.43 -0.30 0.00 -2.50 0.00 0.00 54.97 54.00 2kqn s GLU 55 Cb -0.21 -2.30 -0.06 0.00 0.00 0.00 0.00 34.13 31.56 2kqn s GLU 55 CO 0.24 -0.30 1.72 0.99 0.02 0.00 0.00 175.26 177.94 2kqn s THR 56 N -1.83 3.47 0.00 -1.70 2.01 -1.26 -1.36 115.64 114.97 2kqn s THR 56 Ca 0.63 0.57 0.00 0.00 0.31 0.00 0.00 61.69 63.19 2kqn s THR 56 Cb -0.19 -3.37 0.00 0.00 0.01 0.00 0.00 72.50 68.95 2kqn s THR 56 CO 0.23 -0.06 0.00 0.61 -0.69 0.00 0.00 174.62 174.71 2kqn n GLY 57 N 4.26 1.75 3.65 4.40 0.00 -1.26 -5.07 105.19 112.92 2kqn n GLY 57 Ca 0.18 0.00 -0.43 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 -2.13 4.55 0.78 1.61 1.01 -0.46 -5.03 120.40 120.73 2kqn s VAL 58 Ca 0.00 1.84 -0.14 0.00 0.00 0.00 0.00 61.98 63.67 2kqn s VAL 58 Cb 0.00 -4.33 0.04 0.00 0.00 0.00 0.00 36.38 32.10 2kqn s VAL 58 CO 0.00 -0.32 1.02 -2.65 0.00 0.00 0.00 175.10 173.15 2kqn n PRO 59 N 6.62 0.27 0.00 2.72 -0.02 -1.26 -4.87 135.00 138.46 2kqn n PRO 59 Ca 0.12 0.16 0.07 0.00 -2.02 0.00 0.00 63.50 61.83 2kqn n PRO 59 Cb 0.46 -2.28 0.34 0.00 -0.02 0.00 0.00 33.50 32.00 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 -2.37 0.00 0.27 2.55 7.64 -1.26 -1.95 113.62 118.50 2kqn n SER 60 Ca 0.13 0.24 0.15 0.00 1.01 0.00 0.00 58.87 60.39 2kqn n SER 60 Cb 0.50 -0.37 0.71 0.00 -1.01 0.00 0.00 64.21 64.04 2kqn n SER 60 CO 0.00 0.00 0.00 0.03 -3.01 0.00 0.00 175.04 172.06 2kqn h ARG 61 N 0.00 0.00 -6.15 1.43 3.08 -1.93 -3.42 114.38 107.39 2kqn h ARG 61 Ca 0.00 0.00 -0.51 0.00 0.07 0.00 0.00 59.98 59.54 2kqn h ARG 61 Cb 0.18 0.00 -0.03 0.00 0.08 0.00 0.00 29.97 30.19 2kqn h ARG 61 CO 0.00 0.09 -0.48 -0.06 -1.07 0.00 0.00 179.97 178.45 2kqn s PHE 62 N -3.89 3.34 0.18 3.04 0.08 -0.82 0.14 117.98 120.06 2kqn s PHE 62 Ca -0.01 0.00 0.00 0.00 0.12 0.00 0.00 56.93 57.04 2kqn s PHE 62 Cb 0.11 -1.55 0.00 0.00 -0.57 0.00 0.00 43.02 41.01 2kqn s PHE 62 CO 0.56 0.49 0.00 0.43 -0.10 0.00 0.00 175.22 176.61 2kqn n SER 63 N -0.93 -1.17 -0.75 1.36 7.64 -1.25 -4.93 113.62 113.58 2kqn n SER 63 Ca -0.08 0.34 0.00 0.00 1.01 0.00 0.00 58.87 60.14 2kqn n SER 63 Cb 0.56 1.29 0.00 0.00 -1.01 0.00 0.00 64.21 65.05 2kqn n SER 63 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2kqn n GLY 64 N -0.24 -4.01 3.06 0.23 0.00 -1.26 -4.46 105.19 98.50 2kqn n GLY 64 Ca 0.00 -0.73 -0.12 0.00 0.00 0.00 0.00 46.02 45.17 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 -0.99 -0.27 0.00 1.61 1.04 -0.37 -4.21 113.70 110.51 2kqn s SER 65 Ca 0.00 0.53 0.00 0.00 0.48 0.00 0.00 55.95 56.96 2kqn s SER 65 Cb 0.00 0.41 0.00 0.00 0.10 0.00 0.00 66.02 66.53 2kqn s SER 65 CO 0.00 -0.17 0.00 0.61 0.98 0.00 0.00 173.24 174.66 2kqn n GLY 66 N 4.22 1.14 3.64 7.32 0.00 -1.26 0.27 105.19 120.53 2kqn n GLY 66 Ca -0.25 -0.88 -0.09 0.00 0.00 0.00 0.00 46.02 44.80 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 -0.72 0.00 1.61 1.04 -0.09 -4.75 113.70 110.78 2kqn s SER 67 Ca 0.00 1.26 0.00 0.00 0.48 0.00 0.00 55.95 57.69 2kqn s SER 67 Cb 0.00 1.29 0.00 0.00 0.10 0.00 0.00 66.02 67.41 2kqn s SER 67 CO 0.00 -0.21 0.00 0.61 0.98 0.00 0.00 173.24 174.62 2kqn n GLY 68 N 3.32 1.07 0.08 7.32 0.00 0.11 -2.78 105.19 114.30 2kqn n GLY 68 Ca -0.16 0.44 -0.11 0.00 0.00 0.00 0.00 46.02 46.19 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 0.96 -4.06 2.61 -2.24 -1.26 -2.83 114.28 107.45 2kqn n THR 69 Ca 0.00 -0.41 -0.35 0.00 -2.27 0.00 0.00 64.05 61.02 2kqn n THR 69 Cb 0.00 -1.00 -0.12 0.00 -2.10 0.00 0.00 70.33 67.12 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 -2.33 3.76 -0.03 -0.78 2.12 -1.12 -0.57 118.70 119.75 2kqn s GLU 70 Ca -0.19 -0.45 0.04 0.00 0.36 0.00 0.00 54.97 54.72 2kqn s GLU 70 Cb 0.05 -3.14 -0.00 0.00 0.26 0.00 0.00 34.13 31.30 2kqn s GLU 70 CO 0.42 0.11 -0.14 -0.06 -0.54 0.00 0.00 175.26 175.06 2kqn s PHE 71 N 0.78 1.32 -0.11 5.30 0.08 0.35 -0.92 117.98 124.78 2kqn s PHE 71 Ca 0.02 -0.32 0.03 0.00 0.12 0.00 0.00 56.93 56.78 2kqn s PHE 71 Cb -0.14 -0.89 -0.00 0.00 -0.57 0.00 0.00 43.02 41.42 2kqn s PHE 71 CO 0.02 -0.09 -0.22 0.99 -0.10 0.00 0.00 175.22 175.82 2kqn s THR 72 N -0.05 2.20 -0.16 0.64 2.01 0.14 -0.57 115.64 119.87 2kqn s THR 72 Ca -0.00 -0.96 0.01 0.00 0.31 0.00 0.00 61.69 61.04 2kqn s THR 72 Cb -0.08 -1.86 0.02 0.00 0.01 0.00 0.00 72.50 70.59 2kqn s THR 72 CO 0.01 0.55 -0.16 0.12 -0.69 0.00 0.00 174.62 174.45 2kqn s PHE 73 N 0.42 2.32 -0.04 4.92 5.36 0.12 -1.24 117.98 129.84 2kqn s PHE 73 Ca -0.16 -1.33 0.02 0.00 -0.96 0.00 0.00 56.93 54.51 2kqn s PHE 73 Cb -0.17 -1.68 0.01 0.00 -0.34 0.00 0.00 43.02 40.84 2kqn s PHE 73 CO 0.07 -0.70 -0.11 0.99 -1.46 0.00 0.00 175.22 174.01 2kqn s THR 74 N 1.43 0.96 -0.23 0.12 2.01 -1.25 0.36 115.64 119.04 2kqn s THR 74 Ca 0.05 -0.42 -0.09 0.00 0.31 0.00 0.00 61.69 61.54 2kqn s THR 74 Cb -0.13 -0.86 -0.04 0.00 0.01 0.00 0.00 72.50 71.47 2kqn s THR 74 CO -0.11 0.30 0.12 -0.63 -0.69 0.00 0.00 174.62 173.61 2kqn s ILE 75 N 0.42 5.01 0.14 1.82 1.01 0.55 -3.86 121.20 126.28 2kqn s ILE 75 Ca -0.08 0.06 -0.13 0.00 0.00 0.00 0.00 60.65 60.49 2kqn s ILE 75 Cb -0.12 -3.32 -0.00 0.00 0.01 0.00 0.00 42.46 39.03 2kqn s ILE 75 CO 0.02 0.37 1.58 0.28 0.00 0.00 0.00 174.94 177.19 2kqn h SER 76 N 7.44 0.78 -2.53 3.58 0.02 -0.58 -0.17 113.55 122.10 2kqn h SER 76 Ca -0.37 -0.32 -0.16 0.00 -0.84 0.00 0.00 61.79 60.10 2kqn h SER 76 Cb 1.17 -0.21 -0.30 0.00 0.14 0.00 0.00 62.40 63.20 2kqn h SER 76 CO 0.65 0.91 -0.45 -0.44 -1.14 0.00 0.00 176.83 176.36 2kqn s SER 77 N -6.31 0.11 0.45 3.07 0.01 -1.24 -3.70 113.70 106.08 2kqn s SER 77 Ca -0.13 0.67 -0.25 0.00 1.31 0.00 0.00 55.95 57.56 2kqn s SER 77 Cb 0.11 1.05 -0.08 0.00 0.21 0.00 0.00 66.02 67.31 2kqn s SER 77 CO 0.81 -0.25 1.31 -0.22 0.41 0.00 0.00 173.24 175.30 2kqn s LEU 78 N 2.52 4.10 0.18 2.44 1.98 -0.29 -4.64 118.68 124.97 2kqn s LEU 78 Ca 0.02 2.66 0.10 0.00 -2.89 0.00 0.00 54.13 54.02 2kqn s LEU 78 Cb -0.13 -4.02 -0.04 0.00 0.66 0.00 0.00 46.19 42.66 2kqn s LEU 78 CO -0.12 -1.04 -0.21 -1.10 -1.89 0.00 0.00 176.35 171.99 2kqn s GLN 79 N -2.46 1.39 0.25 1.98 -1.52 -1.26 -0.63 119.66 117.41 2kqn s GLN 79 Ca 0.61 -1.46 -0.03 0.00 -1.95 0.00 0.00 55.36 52.54 2kqn s GLN 79 Cb -0.38 -1.60 0.48 0.00 -0.22 0.00 0.00 33.01 31.29 2kqn s GLN 79 CO 0.48 0.34 1.75 -1.00 -0.25 0.00 0.00 175.29 176.60 2kqn h PRO 80 N 3.27 0.52 -0.00 2.91 0.13 -1.98 -0.07 132.00 136.78 2kqn h PRO 80 Ca -0.45 -0.03 0.00 0.00 -0.87 0.00 0.00 66.00 64.65 2kqn h PRO 80 Cb 1.21 -0.12 0.00 0.00 0.13 0.00 0.00 31.00 32.22 2kqn h PRO 80 CO 0.49 0.34 -0.03 0.39 -0.23 0.00 0.00 178.00 178.96 2kqn n GLU 81 N -4.93 0.16 -0.25 0.86 1.02 -1.26 -3.41 120.64 112.83 2kqn n GLU 81 Ca 0.15 -0.01 0.05 0.00 -0.02 0.00 0.00 57.16 57.33 2kqn n GLU 81 Cb 0.41 -1.50 0.17 0.00 -0.02 0.00 0.00 31.44 30.50 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 -1.41 2.28 -4.67 1.62 8.00 -0.04 -4.76 116.55 117.57 2kqn n ASP 82 Ca 0.09 -2.11 -0.43 0.00 0.71 0.00 0.00 54.79 53.05 2kqn n ASP 82 Cb 0.31 -0.33 -0.02 0.00 -0.02 0.00 0.00 41.12 41.05 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 -1.09 4.19 0.07 0.64 0.20 -1.22 -4.87 118.68 116.61 2kqn s LEU 83 Ca 0.25 1.58 -0.26 0.00 0.69 0.00 0.00 54.13 56.39 2kqn s LEU 83 Cb 0.15 -3.55 0.09 0.00 -0.43 0.00 0.00 46.19 42.45 2kqn s LEU 83 CO 0.14 -0.63 1.16 0.00 -0.29 0.00 0.00 176.35 176.73 2kqn s ALA 84 N 2.85 -2.02 -0.32 5.97 0.00 -1.14 -4.83 121.76 122.27 2kqn s ALA 84 Ca 0.50 0.06 -0.20 0.00 0.00 0.00 0.00 51.96 52.32 2kqn s ALA 84 Cb -0.19 0.70 -0.01 0.00 0.00 0.00 0.00 23.12 23.62 2kqn s ALA 84 CO 0.14 -1.09 0.61 0.99 0.00 0.00 0.00 175.76 176.41 2kqn s THR 85 N -2.31 4.95 -0.07 0.00 2.01 -0.66 -1.57 115.64 117.99 2kqn s THR 85 Ca 0.21 0.74 -0.07 0.00 0.31 0.00 0.00 61.69 62.88 2kqn s THR 85 Cb -0.00 -4.00 -0.04 0.00 0.01 0.00 0.00 72.50 68.47 2kqn s THR 85 CO 0.01 -0.17 0.19 -0.31 -0.69 0.00 0.00 174.62 173.66 2kqn s TYR 86 N 2.58 3.61 0.25 4.92 1.51 -1.13 -0.31 117.35 128.77 2kqn s TYR 86 Ca 0.24 0.57 -0.15 0.00 -1.01 0.00 0.00 57.07 56.72 2kqn s TYR 86 Cb -0.15 -1.97 0.00 0.00 -0.11 0.00 0.00 41.96 39.73 2kqn s TYR 86 CO 0.12 0.70 0.53 1.52 -1.11 0.00 0.00 175.55 177.31 2kqn s TYR 87 N -1.11 0.21 -0.03 2.71 -0.85 -1.14 -3.98 117.35 113.16 2kqn s TYR 87 Ca 0.19 -0.59 0.04 0.00 -0.52 0.00 0.00 57.07 56.19 2kqn s TYR 87 Cb -0.13 0.31 -0.00 0.00 0.38 0.00 0.00 41.96 42.52 2kqn s TYR 87 CO 0.09 -1.03 -0.14 0.00 -1.52 0.00 0.00 175.55 172.95 2kqn s GLN 89 N -0.06 2.10 0.05 0.00 0.74 0.11 0.54 119.66 123.12 2kqn s GLN 89 Ca 0.00 -0.86 0.01 0.00 0.05 0.00 0.00 55.36 54.57 2kqn s GLN 89 Cb -0.08 -1.94 -0.04 0.00 1.10 0.00 0.00 33.01 32.05 2kqn s GLN 89 CO 0.01 0.47 0.11 1.14 -0.55 0.00 0.00 175.29 176.46 2kqn s GLN 90 N -0.42 3.07 -0.16 1.67 1.03 -1.19 0.61 119.66 124.27 2kqn s GLN 90 Ca 0.05 -0.56 0.14 0.00 0.04 0.00 0.00 55.36 55.03 2kqn s GLN 90 Cb -0.11 -2.84 0.39 0.00 0.03 0.00 0.00 33.01 30.48 2kqn s GLN 90 CO 0.00 0.60 1.20 2.48 -2.54 0.00 0.00 175.29 177.03 2kqn n TYR 91 N 0.66 0.00 -0.00 9.60 4.11 -0.99 -4.32 117.16 126.23 2kqn n TYR 91 Ca -0.09 -1.24 -0.18 0.00 -0.00 0.00 0.00 57.90 56.39 2kqn n TYR 91 Cb 0.52 -0.21 -0.14 0.00 -0.00 0.00 0.00 39.34 39.50 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 0.82 0.27 -4.78 9.48 3.58 -1.89 -3.48 116.42 120.43 2kqn h ASP 92 Ca -0.03 -0.96 -0.13 0.00 0.42 0.00 0.00 57.03 56.32 2kqn h ASP 92 Cb 1.14 -0.09 -0.21 0.00 1.72 0.00 0.00 39.33 41.89 2kqn h ASP 92 CO 0.01 1.25 -0.37 0.21 -2.88 0.00 0.00 179.24 177.46 2kqn s ASN 93 N -6.68 -0.13 0.33 2.28 2.47 -1.26 -5.15 114.94 106.80 2kqn s ASN 93 Ca -0.16 0.06 -0.23 0.00 0.42 0.00 0.00 52.86 52.95 2kqn s ASN 93 Cb -0.00 0.32 -0.10 0.00 -1.45 0.00 0.00 41.25 40.01 2kqn s ASN 93 CO 0.77 -0.36 0.89 -0.76 -3.72 0.00 0.00 177.10 173.92 2kqn s LEU 94 N -1.09 4.22 0.48 3.21 1.43 -1.26 -3.84 118.68 121.83 2kqn s LEU 94 Ca -0.12 1.68 -0.19 0.00 -1.03 0.00 0.00 54.13 54.47 2kqn s LEU 94 Cb -0.05 -4.07 -0.09 0.00 0.03 0.00 0.00 46.19 42.01 2kqn s LEU 94 CO 0.03 -0.13 1.00 -2.84 0.23 0.00 0.00 176.35 174.63 2kqn s PRO 95 N -2.38 3.93 -0.16 1.29 0.02 -1.26 -4.72 135.00 131.71 2kqn s PRO 95 Ca 0.52 1.18 -0.26 0.00 0.02 0.00 0.00 61.00 62.45 2kqn s PRO 95 Cb -0.15 -2.13 -0.01 0.00 0.02 0.00 0.00 34.50 32.23 2kqn s PRO 95 CO 0.20 -0.30 0.88 0.71 -0.33 0.00 0.00 177.00 178.16 2kqn s TYR 96 N -2.24 3.43 0.08 6.54 2.02 -1.25 -4.34 117.35 121.60 2kqn s TYR 96 Ca 0.63 1.34 0.05 0.00 -0.37 0.00 0.00 57.07 58.72 2kqn s TYR 96 Cb -0.12 -3.07 -0.04 0.00 -0.40 0.00 0.00 41.96 38.33 2kqn s TYR 96 CO 0.22 -0.26 -0.02 0.95 -1.57 0.00 0.00 175.55 174.86 2kqn s THR 97 N 2.23 3.87 -0.09 -0.71 -4.23 -1.26 -4.94 115.64 110.51 2kqn s THR 97 Ca 0.41 -1.01 -0.10 0.00 -1.18 0.00 0.00 61.69 59.81 2kqn s THR 97 Cb -0.17 -2.82 -0.05 0.00 1.34 0.00 0.00 72.50 70.80 2kqn s THR 97 CO 0.13 0.15 0.22 -0.36 -0.54 0.00 0.00 174.62 174.21 2kqn s PHE 98 N -1.26 3.62 -0.89 3.99 0.08 -1.26 -3.16 117.98 119.10 2kqn s PHE 98 Ca 0.24 0.65 -0.19 0.00 0.12 0.00 0.00 56.93 57.75 2kqn s PHE 98 Cb -0.12 -2.07 0.13 0.00 -0.57 0.00 0.00 43.02 40.40 2kqn s PHE 98 CO 0.16 0.66 1.07 0.20 -0.10 0.00 0.00 175.22 177.22 2kqn s GLY 99 N -0.88 1.92 -0.06 4.36 0.00 0.19 -4.72 107.32 108.12 2kqn s GLY 99 Ca 0.17 -2.70 0.02 0.00 0.00 0.00 0.00 44.72 42.21 2kqn s GLY 99 CO 0.06 1.95 0.93 0.61 0.00 0.00 0.00 173.10 176.66 2kqn n GLN 100 N 6.49 1.49 0.00 2.90 0.00 -1.26 -3.60 117.38 123.40 2kqn n GLN 100 Ca 0.20 -0.56 0.11 0.00 0.00 0.00 0.00 57.00 56.74 2kqn n GLN 100 Cb 0.48 -1.45 0.66 0.00 0.00 0.00 0.00 30.24 29.93 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 0.15 -0.88 2.84 2.61 0.00 -1.26 -4.75 105.19 103.91 2kqn n GLY 101 Ca 0.08 -0.14 -0.18 0.00 0.00 0.00 0.00 46.02 45.78 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 0.30 -0.14 2.61 2.01 -1.24 -3.16 115.64 114.02 2kqn s THR 102 Ca 0.33 0.02 -0.01 0.00 0.31 0.00 0.00 61.69 62.34 2kqn s THR 102 Cb 0.15 -0.38 -0.02 0.00 0.01 0.00 0.00 72.50 72.27 2kqn s THR 102 CO 0.26 0.18 -0.10 -0.75 -0.69 0.00 0.00 174.62 173.51 2kqn s LYS 103 N 1.02 3.45 -0.12 4.92 2.47 -0.66 -2.86 119.74 127.96 2kqn s LYS 103 Ca -0.10 -0.64 0.01 0.00 -1.56 0.00 0.00 55.97 53.68 2kqn s LYS 103 Cb -0.14 -2.71 -0.01 0.00 -1.46 0.00 0.00 37.83 33.51 2kqn s LYS 103 CO -0.01 0.23 -0.15 -1.17 0.16 0.00 0.00 175.35 174.41 2kqn s LEU 104 N 0.32 2.60 0.33 5.43 0.20 -0.61 -1.27 118.68 125.69 2kqn s LEU 104 Ca -0.09 -0.37 0.04 0.00 0.69 0.00 0.00 54.13 54.41 2kqn s LEU 104 Cb -0.15 -1.57 -0.06 0.00 -0.43 0.00 0.00 46.19 43.97 2kqn s LEU 104 CO 0.05 0.17 0.06 -1.61 -0.29 0.00 0.00 176.35 174.73 2kqn s GLU 105 N 0.31 1.67 -0.12 1.98 2.02 -1.00 -2.91 118.70 120.65 2kqn s GLU 105 Ca -0.12 -1.93 -0.06 0.00 0.02 0.00 0.00 54.97 52.88 2kqn s GLU 105 Cb -0.16 -0.86 -0.04 0.00 0.10 0.00 0.00 34.13 33.17 2kqn s GLU 105 CO 0.06 -0.20 0.10 0.42 0.02 0.00 0.00 175.26 175.66 2kqn s ILE 106 N -3.29 5.20 -0.41 -1.63 1.01 -1.24 0.41 121.20 121.26 2kqn s ILE 106 Ca 0.36 0.09 -0.28 0.00 0.00 0.00 0.00 60.65 60.82 2kqn s ILE 106 Cb 0.08 -3.25 -0.01 0.00 0.01 0.00 0.00 42.46 39.29 2kqn s ILE 106 CO 0.15 0.60 1.74 -0.54 0.00 0.00 0.00 174.94 176.90 2kqn s LYS 107 N -0.89 3.22 0.00 2.79 1.02 -1.18 -4.77 119.74 119.94 2kqn s LYS 107 Ca 0.14 1.16 0.00 0.00 0.02 0.00 0.00 55.97 57.29 2kqn s LYS 107 Cb -0.12 -4.21 0.00 0.00 -0.52 0.00 0.00 37.83 32.98 2kqn s LYS 107 CO 0.03 -1.99 0.09 0.54 -0.92 0.00 0.00 175.35 173.10