#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1k5q s ASN 2 N 0.00 4.82 -0.28 4.04 2.20 -0.53 -3.51 114.94 121.67 1k5q s ASN 2 Ca 0.00 -0.86 -0.23 0.00 -0.94 0.00 0.00 52.86 50.83 1k5q s ASN 2 Cb 0.00 -0.56 0.13 0.00 -2.00 0.00 0.00 41.25 38.82 1k5q s ASN 2 CO 0.00 -0.59 1.03 -0.32 -2.94 0.00 0.00 177.10 174.27 1k5q s MET 3 N -4.03 0.48 -0.03 3.55 1.75 -0.47 0.03 119.30 120.57 1k5q s MET 3 Ca 0.45 0.61 0.01 0.00 -1.25 0.00 0.00 55.69 55.51 1k5q s MET 3 Cb -0.01 0.21 0.02 0.00 2.84 0.00 0.00 34.83 37.89 1k5q s MET 3 CO 0.26 -0.06 -0.01 1.67 -0.65 0.00 0.00 175.02 176.22 1k5q s TRP 4 N 0.44 0.38 -0.20 4.11 -2.14 0.31 -1.12 118.94 120.72 1k5q s TRP 4 Ca 0.01 -0.04 -0.01 0.00 2.66 0.00 0.00 56.10 58.71 1k5q s TRP 4 Cb -0.05 -0.41 0.01 0.00 -3.10 0.00 0.00 33.47 29.92 1k5q s TRP 4 CO -0.08 -0.11 -0.12 0.08 -2.66 0.00 0.00 176.95 174.05 1k5q s VAL 5 N 0.80 2.71 -0.23 -0.66 1.01 1.00 -1.34 120.40 123.68 1k5q s VAL 5 Ca -0.08 -0.72 -0.09 0.00 0.00 0.00 0.00 61.98 61.09 1k5q s VAL 5 Cb -0.12 -2.19 -0.04 0.00 0.00 0.00 0.00 36.38 34.03 1k5q s VAL 5 CO -0.01 0.48 0.12 -0.63 0.00 0.00 0.00 175.10 175.06 1k5q s ILE 6 N 1.37 4.97 0.72 2.22 1.01 0.19 -0.50 121.20 131.19 1k5q s ILE 6 Ca 0.05 0.04 0.00 0.00 0.00 0.00 0.00 60.65 60.75 1k5q s ILE 6 Cb -0.14 -3.30 0.13 0.00 0.01 0.00 0.00 42.46 39.16 1k5q s ILE 6 CO -0.08 0.36 0.99 -0.83 0.00 0.00 0.00 174.94 175.38 1k5q s GLY 7 N 1.07 1.75 0.31 6.18 0.00 -0.00 -0.64 107.32 116.00 1k5q s GLY 7 Ca 0.06 -1.82 0.08 0.00 0.00 0.00 0.00 44.72 43.04 1k5q s GLY 7 CO 0.04 -1.24 1.69 1.70 0.00 0.00 0.00 173.10 175.30 1k5q h LYS 8 N -0.50 0.41 0.00 2.90 3.64 -0.72 0.10 116.57 122.40 1k5q h LYS 8 Ca -0.35 -0.02 0.00 0.00 -1.27 0.00 0.00 60.65 59.01 1k5q h LYS 8 Cb 1.27 -0.09 0.00 0.00 -0.41 0.00 0.00 32.23 32.99 1k5q h LYS 8 CO 0.39 0.27 0.00 -1.13 -2.27 0.00 0.00 179.45 176.71 1k5q n SER 9 N -5.01 0.56 0.00 4.20 3.41 -1.26 -3.44 113.62 112.08 1k5q n SER 9 Ca 0.26 0.63 0.00 0.00 -0.26 0.00 0.00 58.87 59.49 1k5q n SER 9 Cb 0.77 -0.75 0.00 0.00 -0.26 0.00 0.00 64.21 63.97 1k5q n SER 9 CO 0.00 0.00 0.00 0.29 -0.16 0.00 0.00 175.04 175.17 1k5q n LYS 10 N -2.10 0.08 -3.29 4.33 5.02 -0.19 -4.87 118.16 117.14 1k5q n LYS 10 Ca 0.03 -0.50 -0.38 0.00 -2.02 0.00 0.00 58.31 55.43 1k5q n LYS 10 Cb 0.24 -0.78 -0.06 0.00 -0.02 0.00 0.00 35.03 34.41 1k5q n LYS 10 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1k5q s ALA 11 N -0.16 3.53 -0.14 7.82 0.00 0.18 -1.10 121.76 131.89 1k5q s ALA 11 Ca 0.00 -0.06 -0.02 0.00 0.00 0.00 0.00 51.96 51.88 1k5q s ALA 11 Cb 0.00 -2.65 -0.02 0.00 0.00 0.00 0.00 23.12 20.45 1k5q s ALA 11 CO 0.00 0.21 -0.06 -1.14 0.00 0.00 0.00 175.76 174.76 1k5q s GLN 12 N -0.27 3.53 -1.80 0.00 2.00 0.11 -4.47 119.66 118.77 1k5q s GLN 12 Ca 0.28 -0.57 0.00 0.00 -2.00 0.00 0.00 55.36 53.08 1k5q s GLN 12 Cb -0.17 -2.81 0.00 0.00 0.80 0.00 0.00 33.01 30.82 1k5q s GLN 12 CO 0.15 0.27 0.00 -0.25 -0.50 0.00 0.00 175.29 174.96 1k5q n ASP 13 N 3.43 -5.46 -3.49 6.67 8.00 -1.26 -4.26 116.55 120.17 1k5q n ASP 13 Ca -0.18 0.17 -0.02 0.00 0.71 0.00 0.00 54.79 55.47 1k5q n ASP 13 Cb 0.53 -4.56 0.01 0.00 -0.02 0.00 0.00 41.12 37.08 1k5q n ASP 13 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1k5q s ALA 14 N -2.87 -1.80 -0.06 2.24 0.00 -1.26 -1.10 121.76 116.92 1k5q s ALA 14 Ca 0.00 -0.17 0.11 0.00 0.00 0.00 0.00 51.96 51.89 1k5q s ALA 14 Cb 0.00 0.75 -0.16 0.00 0.00 0.00 0.00 23.12 23.71 1k5q s ALA 14 CO 0.00 -1.08 0.16 1.63 0.00 0.00 0.00 175.76 176.47 1k5q n LYS 15 N -0.71 1.19 -3.63 0.00 5.02 -0.47 -4.66 118.16 114.89 1k5q n LYS 15 Ca -0.02 -0.06 -0.15 0.00 -2.02 0.00 0.00 58.31 56.06 1k5q n LYS 15 Cb 0.60 -1.28 -0.07 0.00 -0.02 0.00 0.00 35.03 34.25 1k5q n LYS 15 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1k5q s ALA 16 N -2.57 -1.59 -0.03 7.82 0.00 -1.22 -0.72 121.76 123.46 1k5q s ALA 16 Ca -0.05 1.63 0.00 0.00 0.00 0.00 0.00 51.96 53.55 1k5q s ALA 16 Cb 0.06 -0.78 0.03 0.00 0.00 0.00 0.00 23.12 22.43 1k5q s ALA 16 CO 0.46 -0.32 0.00 0.42 0.00 0.00 0.00 175.76 176.33 1k5q s ILE 17 N -0.06 0.17 -0.14 0.00 1.01 0.19 -0.86 121.20 121.50 1k5q s ILE 17 Ca -0.03 0.09 0.02 0.00 0.00 0.00 0.00 60.65 60.73 1k5q s ILE 17 Cb -0.04 -0.26 0.01 0.00 0.01 0.00 0.00 42.46 42.18 1k5q s ILE 17 CO 0.03 0.14 -0.19 -0.32 0.00 0.00 0.00 174.94 174.60 1k5q s MET 18 N 1.01 2.73 -0.10 2.79 1.75 0.01 0.57 119.30 128.06 1k5q s MET 18 Ca -0.10 -0.74 -0.00 0.00 -1.25 0.00 0.00 55.69 53.60 1k5q s MET 18 Cb -0.14 -2.27 0.02 0.00 2.84 0.00 0.00 34.83 35.29 1k5q s MET 18 CO -0.02 -0.07 -0.07 0.08 -0.65 0.00 0.00 175.02 174.29 1k5q s VAL 19 N 0.98 0.96 -0.03 10.11 1.01 -0.45 -1.19 120.40 131.79 1k5q s VAL 19 Ca -0.04 -0.26 0.04 0.00 0.00 0.00 0.00 61.98 61.72 1k5q s VAL 19 Cb -0.15 -0.98 -0.01 0.00 0.00 0.00 0.00 36.38 35.25 1k5q s VAL 19 CO -0.04 0.35 -0.15 0.21 0.00 0.00 0.00 175.10 175.47 1k5q s ASN 20 N 1.61 1.83 -0.38 3.32 3.04 -0.86 -0.53 114.94 122.97 1k5q s ASN 20 Ca 0.03 -0.29 0.02 0.00 0.04 0.00 0.00 52.86 52.66 1k5q s ASN 20 Cb -0.13 -0.37 0.16 0.00 -1.54 0.00 0.00 41.25 39.37 1k5q s ASN 20 CO -0.07 0.15 0.28 -0.83 -3.04 0.00 0.00 177.10 173.60 1k5q s GLY 21 N -0.11 1.04 0.34 1.21 0.00 0.10 -2.63 107.32 107.27 1k5q s GLY 21 Ca 0.01 -2.19 -0.28 0.00 0.00 0.00 0.00 44.72 42.26 1k5q s GLY 21 CO 0.01 2.11 1.27 2.56 0.00 0.00 0.00 173.10 179.05 1k5q s PRO 22 N 0.51 4.34 -0.28 2.90 0.04 -1.25 -1.46 135.00 139.80 1k5q s PRO 22 Ca 0.26 2.14 0.01 0.00 0.04 0.00 0.00 61.00 63.45 1k5q s PRO 22 Cb -0.08 -3.04 0.08 0.00 0.04 0.00 0.00 34.50 31.50 1k5q s PRO 22 CO -0.10 -0.17 0.02 -0.65 0.04 0.00 0.00 177.00 176.13 1k5q s GLN 23 N -1.82 1.30 -0.02 4.56 -0.21 -1.26 0.98 119.66 123.18 1k5q s GLN 23 Ca 0.49 -1.25 0.04 0.00 0.02 0.00 0.00 55.36 54.66 1k5q s GLN 23 Cb -0.38 -2.58 0.06 0.00 1.00 0.00 0.00 33.01 31.11 1k5q s GLN 23 CO 0.50 -0.81 0.96 0.00 -2.12 0.00 0.00 175.29 173.83 1k5q n ALA 24 N 4.61 1.91 0.00 6.09 0.00 -1.26 -4.43 120.51 127.43 1k5q n ALA 24 Ca -0.05 -1.24 0.00 0.00 0.00 0.00 0.00 53.44 52.15 1k5q n ALA 24 Cb 0.43 -0.09 0.00 0.00 0.00 0.00 0.00 19.45 19.79 1k5q n ALA 24 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1k5q n GLY 25 N -0.59 -3.35 3.20 0.00 0.00 -1.26 -4.85 105.19 98.35 1k5q n GLY 25 Ca 0.03 -2.11 -0.30 0.00 0.00 0.00 0.00 46.02 43.64 1k5q n GLY 25 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 1k5q s TRP 26 N -0.70 2.23 0.06 1.61 0.51 -1.26 -4.61 118.94 116.79 1k5q s TRP 26 Ca 0.00 -0.76 0.00 0.00 -2.12 0.00 0.00 56.10 53.22 1k5q s TRP 26 Cb 0.00 -1.49 -0.04 0.00 -0.81 0.00 0.00 33.47 31.13 1k5q s TRP 26 CO 0.00 -0.28 -0.05 0.71 -0.51 0.00 0.00 176.95 176.82 1k5q s TYR 27 N 0.12 0.64 -0.08 -1.98 2.02 -1.26 -0.85 117.35 115.95 1k5q s TYR 27 Ca -0.10 -0.89 -0.00 0.00 -0.37 0.00 0.00 57.07 55.71 1k5q s TYR 27 Cb -0.15 -0.42 0.02 0.00 -0.40 0.00 0.00 41.96 41.02 1k5q s TYR 27 CO 0.05 -0.24 -0.05 0.00 -1.57 0.00 0.00 175.55 173.73 1k5q s ALA 28 N -3.27 1.04 1.07 3.71 0.00 0.11 -3.46 121.76 120.96 1k5q s ALA 28 Ca 0.04 -0.33 -0.14 0.00 0.00 0.00 0.00 51.96 51.53 1k5q s ALA 28 Cb 0.03 -0.74 0.22 0.00 0.00 0.00 0.00 23.12 22.63 1k5q s ALA 28 CO -0.06 -0.30 1.09 -1.25 0.00 0.00 0.00 175.76 175.24 1k5q s PRO 29 N 1.53 -0.15 0.38 0.00 0.04 -1.26 -4.37 135.00 131.17 1k5q s PRO 29 Ca -0.00 0.40 -0.24 0.00 0.04 0.00 0.00 61.00 61.20 1k5q s PRO 29 Cb -0.13 -1.68 -0.14 0.00 0.04 0.00 0.00 34.50 32.59 1k5q s PRO 29 CO -0.05 -3.09 0.55 0.00 0.04 0.00 0.00 177.00 174.45 1k5q n ALA 30 N -4.41 -1.66 -0.28 8.56 0.00 -1.23 -4.89 120.51 116.61 1k5q n ALA 30 Ca 0.06 0.22 -0.05 0.00 0.00 0.00 0.00 53.44 53.67 1k5q n ALA 30 Cb 0.58 -1.75 0.06 0.00 0.00 0.00 0.00 19.45 18.34 1k5q n ALA 30 CO 0.00 0.00 0.00 -0.92 0.00 0.00 0.00 177.50 176.58 1k5q h TYR 31 N 0.91 1.02 -1.49 0.00 3.20 -1.79 -3.44 116.97 115.38 1k5q h TYR 31 Ca -0.38 -0.01 -0.49 0.00 3.14 0.00 0.00 58.73 60.99 1k5q h TYR 31 Cb 1.40 -0.33 -0.03 0.00 1.54 0.00 0.00 36.73 39.31 1k5q h TYR 31 CO 0.37 0.69 -0.36 0.95 -1.64 0.00 0.00 178.16 178.17 1k5q s THR 32 N -5.95 2.67 -0.09 1.81 -4.23 -1.26 -2.53 115.64 106.06 1k5q s THR 32 Ca -0.13 -1.31 0.00 0.00 -1.18 0.00 0.00 61.69 59.08 1k5q s THR 32 Cb 0.15 -2.98 0.02 0.00 1.34 0.00 0.00 72.50 71.03 1k5q s THR 32 CO 0.80 0.00 -0.08 -0.47 -0.54 0.00 0.00 174.62 174.33 1k5q s TYR 33 N -2.47 1.31 -0.08 3.99 5.04 0.86 -4.86 117.35 121.14 1k5q s TYR 33 Ca 0.49 -0.56 -0.29 0.00 -2.44 0.00 0.00 57.07 54.26 1k5q s TYR 33 Cb -0.04 -1.08 -0.02 0.00 0.35 0.00 0.00 41.96 41.18 1k5q s TYR 33 CO 0.28 -0.39 0.99 0.20 -1.34 0.00 0.00 175.55 175.29 1k5q s GLY 34 N 1.36 2.50 -0.06 8.97 0.00 -1.26 -1.34 107.32 117.50 1k5q s GLY 34 Ca -0.02 0.41 -0.13 0.00 0.00 0.00 0.00 44.72 44.98 1k5q s GLY 34 CO -0.04 1.84 0.31 -1.50 0.00 0.00 0.00 173.10 173.71 1k5q s ILE 35 N 1.72 0.04 -0.05 0.90 1.10 -0.70 -5.00 121.20 119.21 1k5q s ILE 35 Ca 0.49 -0.30 0.03 0.00 -0.51 0.00 0.00 60.65 60.37 1k5q s ILE 35 Cb -0.19 -0.54 0.00 0.00 0.15 0.00 0.00 42.46 41.88 1k5q s ILE 35 CO 0.21 -0.16 -0.15 -0.83 -2.11 0.00 0.00 174.94 171.89 1k5q s GLY 36 N -0.72 0.86 -0.06 1.50 0.00 -1.26 -2.57 107.32 105.07 1k5q s GLY 36 Ca -0.08 -0.57 0.04 0.00 0.00 0.00 0.00 44.72 44.10 1k5q s GLY 36 CO 0.03 -0.17 -0.17 1.08 0.00 0.00 0.00 173.10 173.87 1k5q s LEU 37 N 0.27 1.85 -0.20 0.66 1.43 -0.88 -5.00 118.68 116.81 1k5q s LEU 37 Ca -0.08 -0.37 -0.05 0.00 -1.03 0.00 0.00 54.13 52.60 1k5q s LEU 37 Cb -0.13 -1.00 0.08 0.00 0.03 0.00 0.00 46.19 45.16 1k5q s LEU 37 CO 0.03 0.11 0.12 -1.00 0.23 0.00 0.00 176.35 175.84 1k5q s HIS 38 N 0.32 0.14 0.00 0.29 3.76 -1.26 -0.83 115.29 117.72 1k5q s HIS 38 Ca -0.11 -0.36 0.00 0.00 -0.15 0.00 0.00 55.06 54.44 1k5q s HIS 38 Cb -0.14 -0.69 0.00 0.00 1.11 0.00 0.00 32.58 32.86 1k5q s HIS 38 CO 0.04 -0.60 0.00 0.41 -0.85 0.00 0.00 174.74 173.74 1k5q n GLY 39 N 5.28 2.14 2.49 -2.22 0.00 0.57 -4.97 105.19 108.49 1k5q n GLY 39 Ca -0.06 -1.96 -0.14 0.00 0.00 0.00 0.00 46.02 43.86 1k5q n GLY 39 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1k5q n ALA 40 N -1.38 -0.77 -0.44 4.61 0.00 -1.26 -0.02 120.51 121.25 1k5q n ALA 40 Ca 0.00 0.11 0.00 0.00 0.00 0.00 0.00 53.44 53.55 1k5q n ALA 40 Cb 0.00 -1.71 0.00 0.00 0.00 0.00 0.00 19.45 17.74 1k5q n ALA 40 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1k5q n GLY 41 N -0.87 0.86 3.75 0.00 0.00 -1.26 -5.05 105.19 102.63 1k5q n GLY 41 Ca -0.15 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.57 1k5q n GLY 41 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1k5q s TYR 42 N -2.95 3.12 -0.51 1.61 2.02 0.98 -4.79 117.35 116.83 1k5q s TYR 42 Ca 0.00 0.02 0.06 0.00 -0.37 0.00 0.00 57.07 56.79 1k5q s TYR 42 Cb 0.00 -1.57 0.19 0.00 -0.40 0.00 0.00 41.96 40.18 1k5q s TYR 42 CO 0.00 0.51 0.75 -3.47 -1.57 0.00 0.00 175.55 171.77 1k5q n ASP 43 N 0.29 -3.37 -4.23 2.29 2.03 -1.18 -0.31 116.55 112.06 1k5q n ASP 43 Ca -0.09 -2.85 -0.13 0.00 0.52 0.00 0.00 54.79 52.24 1k5q n ASP 43 Cb 0.52 1.72 -0.10 0.00 -0.72 0.00 0.00 41.12 42.54 1k5q n ASP 43 CO 0.00 0.00 0.00 0.68 -1.92 0.00 0.00 177.20 175.96 1k5q s VAL 44 N 0.87 0.69 -0.06 5.18 -7.23 -0.01 -4.22 120.40 115.62 1k5q s VAL 44 Ca 0.30 -1.98 -0.12 0.00 -1.81 0.00 0.00 61.98 58.37 1k5q s VAL 44 Cb 0.01 -2.07 0.02 0.00 0.56 0.00 0.00 36.38 34.91 1k5q s VAL 44 CO -0.06 -0.52 0.28 0.28 -0.31 0.00 0.00 175.10 174.77 1k5q s THR 45 N -3.65 0.03 -5.00 5.32 -1.32 -0.79 -2.07 115.64 108.17 1k5q s THR 45 Ca 0.23 -0.27 0.00 0.00 -1.21 0.00 0.00 61.69 60.43 1k5q s THR 45 Cb 0.06 -0.49 0.00 0.00 -1.51 0.00 0.00 72.50 70.56 1k5q s THR 45 CO 0.03 -0.15 0.00 0.61 -2.21 0.00 0.00 174.62 172.90 1k5q n GLY 46 N 2.10 -0.43 3.16 6.08 0.00 -1.06 -1.62 105.19 113.42 1k5q n GLY 46 Ca -0.17 -1.06 -0.08 0.00 0.00 0.00 0.00 46.02 44.70 1k5q n GLY 46 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1k5q s ASN 47 N -4.00 0.31 -0.12 1.61 2.20 -0.11 -1.72 114.94 113.11 1k5q s ASN 47 Ca 0.00 -1.00 -0.20 0.00 -0.94 0.00 0.00 52.86 50.72 1k5q s ASN 47 Cb 0.00 0.28 0.05 0.00 -2.00 0.00 0.00 41.25 39.58 1k5q s ASN 47 CO 0.00 -0.70 0.51 0.28 -2.94 0.00 0.00 177.10 174.25 1k5q s THR 48 N -3.96 0.01 0.29 0.54 -1.32 -0.45 -2.50 115.64 108.25 1k5q s THR 48 Ca 0.14 -0.12 -0.30 0.00 -1.21 0.00 0.00 61.69 60.19 1k5q s THR 48 Cb 0.07 -0.77 -0.11 0.00 -1.51 0.00 0.00 72.50 70.18 1k5q s THR 48 CO -0.05 -0.07 1.60 -2.84 -2.21 0.00 0.00 174.62 171.06 1k5q s PRO 49 N -0.48 4.12 -0.92 7.08 0.02 -1.26 -0.10 135.00 143.46 1k5q s PRO 49 Ca -0.06 2.58 0.00 0.00 0.02 0.00 0.00 61.00 63.54 1k5q s PRO 49 Cb -0.03 -3.02 0.00 0.00 0.02 0.00 0.00 34.50 31.46 1k5q s PRO 49 CO 0.04 -0.64 0.00 1.19 -0.33 0.00 0.00 177.00 177.25 1k5q n PHE 50 N 2.28 -1.25 -3.83 6.54 3.72 -1.05 -1.83 117.46 122.04 1k5q n PHE 50 Ca 0.09 0.00 -0.24 0.00 -0.05 0.00 0.00 57.45 57.25 1k5q n PHE 50 Cb 0.37 -2.37 0.01 0.00 -0.94 0.00 0.00 39.48 36.55 1k5q n PHE 50 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 1k5q n ALA 51 N -1.61 -1.96 -1.73 4.37 0.00 -1.12 -4.93 120.51 113.53 1k5q n ALA 51 Ca -0.11 -0.19 -0.37 0.00 0.00 0.00 0.00 53.44 52.76 1k5q n ALA 51 Cb 0.52 -1.89 0.07 0.00 0.00 0.00 0.00 19.45 18.14 1k5q n ALA 51 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.50 178.16 1k5q n TYR 52 N -4.35 1.97 -0.31 0.00 4.01 -0.76 -4.88 117.16 112.84 1k5q n TYR 52 Ca -0.28 0.42 0.10 0.00 -0.16 0.00 0.00 57.90 57.98 1k5q n TYR 52 Cb 0.67 -2.28 0.27 0.00 -0.31 0.00 0.00 39.34 37.69 1k5q n TYR 52 CO 0.00 0.00 0.00 -1.35 -0.46 0.00 0.00 176.86 175.05 1k5q h PRO 53 N 0.67 0.53 -5.74 -0.72 0.11 -1.93 -3.40 132.00 121.53 1k5q h PRO 53 Ca -0.51 -0.03 -0.60 0.00 0.11 0.00 0.00 66.00 64.97 1k5q h PRO 53 Cb 1.34 -0.12 -0.08 0.00 0.11 0.00 0.00 31.00 32.25 1k5q h PRO 53 CO 0.54 0.35 -0.27 0.20 -0.21 0.00 0.00 178.00 178.61 1k5q s GLY 54 N -3.66 2.33 -0.24 -0.55 0.00 -1.26 -4.93 107.32 99.01 1k5q s GLY 54 Ca -0.12 -0.35 -0.29 0.00 0.00 0.00 0.00 44.72 43.97 1k5q s GLY 54 CO 0.78 0.29 1.10 1.08 0.00 0.00 0.00 173.10 176.35 1k5q s LEU 55 N -0.24 4.07 0.39 0.66 1.02 -1.26 -4.87 118.68 118.45 1k5q s LEU 55 Ca 0.20 1.36 0.21 0.00 0.02 0.00 0.00 54.13 55.93 1k5q s LEU 55 Cb -0.15 -3.54 0.56 0.00 0.02 0.00 0.00 46.19 43.08 1k5q s LEU 55 CO 0.08 -0.75 1.67 0.58 0.02 0.00 0.00 176.35 177.96 1k5q h VAL 56 N 5.54 0.56 -3.22 -1.59 2.07 -1.89 -3.41 116.25 114.30 1k5q h VAL 56 Ca -0.21 -1.45 -0.58 0.00 0.82 0.00 0.00 66.70 65.28 1k5q h VAL 56 Cb 1.07 2.02 -0.40 0.00 -1.52 0.00 0.00 31.29 32.46 1k5q h VAL 56 CO 0.99 0.27 -0.76 -0.36 0.02 0.00 0.00 177.57 177.74 1k5q s PHE 57 N -3.35 1.73 -0.02 1.57 0.08 -1.04 -3.97 117.98 112.98 1k5q s PHE 57 Ca 0.03 -1.66 -0.10 0.00 0.12 0.00 0.00 56.93 55.32 1k5q s PHE 57 Cb 0.08 -1.65 0.03 0.00 -0.57 0.00 0.00 43.02 40.92 1k5q s PHE 57 CO 0.67 -0.84 0.43 0.41 -0.10 0.00 0.00 175.22 175.80 1k5q n GLY 58 N 4.84 0.39 3.48 4.36 0.00 -1.16 -0.94 105.19 116.17 1k5q n GLY 58 Ca -0.03 -0.89 -0.09 0.00 0.00 0.00 0.00 46.02 45.01 1k5q n GLY 58 CO 0.00 0.00 0.00 -2.38 0.00 0.00 0.00 173.32 170.94 1k5q s HIS 59 N -2.36 0.28 -0.12 1.61 -3.43 -0.64 -1.42 115.29 109.21 1k5q s HIS 59 Ca 0.10 -0.64 0.15 0.00 -0.80 0.00 0.00 55.06 53.87 1k5q s HIS 59 Cb -0.00 0.14 0.33 0.00 -1.43 0.00 0.00 32.58 31.62 1k5q s HIS 59 CO -0.01 -0.88 1.16 0.27 -2.00 0.00 0.00 174.74 173.29 1k5q n ASN 60 N -0.31 1.56 0.00 7.38 0.23 -0.79 -1.88 115.26 121.45 1k5q n ASN 60 Ca -0.05 -3.11 0.00 0.00 -0.53 0.00 0.00 54.58 50.89 1k5q n ASN 60 Cb 0.62 -0.42 0.00 0.00 -2.08 0.00 0.00 39.78 37.90 1k5q n ASN 60 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 1k5q n GLY 61 N -0.80 2.49 0.72 4.83 0.00 -1.26 -4.65 105.19 106.52 1k5q n GLY 61 Ca 0.14 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.16 1k5q n GLY 61 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 1k5q n VAL 62 N -2.00 0.00 -4.25 1.61 0.31 -1.26 -4.82 118.33 107.92 1k5q n VAL 62 Ca 0.00 0.00 -0.14 0.00 -0.01 0.00 0.00 64.34 64.19 1k5q n VAL 62 Cb 0.00 -0.92 -0.10 0.00 -0.91 0.00 0.00 33.84 31.91 1k5q n VAL 62 CO 0.00 0.00 0.00 0.27 -1.32 0.00 0.00 176.83 175.78 1k5q s ILE 63 N -1.91 1.12 0.15 2.52 -4.36 -1.26 -0.24 121.20 117.22 1k5q s ILE 63 Ca 0.00 -2.05 0.06 0.00 -0.26 0.00 0.00 60.65 58.40 1k5q s ILE 63 Cb 0.00 -1.88 -0.04 0.00 1.25 0.00 0.00 42.46 41.79 1k5q s ILE 63 CO 0.00 -0.72 -0.13 -0.94 0.24 0.00 0.00 174.94 173.39 1k5q s SER 64 N -3.17 2.06 0.04 4.36 1.04 0.10 -1.89 113.70 116.25 1k5q s SER 64 Ca 0.17 -0.94 -0.04 0.00 0.48 0.00 0.00 55.95 55.62 1k5q s SER 64 Cb 0.03 -0.06 -0.02 0.00 0.10 0.00 0.00 66.02 66.07 1k5q s SER 64 CO 0.01 -0.22 0.07 -1.66 0.98 0.00 0.00 173.24 172.42 1k5q s TRP 65 N -2.78 0.27 0.36 5.02 -2.14 -0.51 -1.86 118.94 117.31 1k5q s TRP 65 Ca 0.15 -0.64 -0.14 0.00 2.66 0.00 0.00 56.10 58.13 1k5q s TRP 65 Cb -0.01 -0.19 0.04 0.00 -3.10 0.00 0.00 33.47 30.21 1k5q s TRP 65 CO 0.03 -0.37 0.72 0.20 -2.66 0.00 0.00 176.95 174.87 1k5q s GLY 66 N -2.33 0.51 0.14 3.67 0.00 -1.10 -2.98 107.32 105.23 1k5q s GLY 66 Ca -0.02 -0.83 -0.10 0.00 0.00 0.00 0.00 44.72 43.77 1k5q s GLY 66 CO -0.06 -0.41 0.28 -0.56 0.00 0.00 0.00 173.10 172.35 1k5q s SER 67 N -3.08 0.03 -0.03 1.64 0.01 -1.25 -1.96 113.70 109.06 1k5q s SER 67 Ca 0.18 -0.75 -0.16 0.00 1.31 0.00 0.00 55.95 56.53 1k5q s SER 67 Cb -0.04 0.42 0.03 0.00 0.21 0.00 0.00 66.02 66.63 1k5q s SER 67 CO 0.12 -0.85 0.34 0.42 0.41 0.00 0.00 173.24 173.67 1k5q s THR 68 N -3.92 0.05 0.32 1.44 -4.23 -0.95 -4.70 115.64 103.64 1k5q s THR 68 Ca 0.12 -0.41 -0.29 0.00 -1.18 0.00 0.00 61.69 59.93 1k5q s THR 68 Cb 0.03 -0.63 -0.12 0.00 1.34 0.00 0.00 72.50 73.13 1k5q s THR 68 CO -0.04 -0.23 1.53 0.00 -0.54 0.00 0.00 174.62 175.34 1k5q n ALA 69 N 1.38 2.32 0.09 3.99 0.00 -1.26 -0.54 120.51 126.48 1k5q n ALA 69 Ca -0.21 0.36 -0.17 0.00 0.00 0.00 0.00 53.44 53.42 1k5q n ALA 69 Cb 0.56 -2.42 -0.14 0.00 0.00 0.00 0.00 19.45 17.45 1k5q n ALA 69 CO 0.00 0.00 0.00 0.78 0.00 0.00 0.00 177.50 178.28 1k5q h GLY 70 N 3.96 0.33 -6.20 0.00 0.00 -1.58 -3.42 103.07 96.15 1k5q h GLY 70 Ca -0.48 -0.84 -0.46 0.00 0.00 0.00 0.00 47.33 45.56 1k5q h GLY 70 CO 0.73 0.73 -0.76 0.69 0.00 0.00 0.00 176.54 177.93 1k5q n PHE 71 N -3.51 -2.33 -2.35 5.60 3.72 -1.25 -4.93 117.46 112.40 1k5q n PHE 71 Ca -0.13 0.91 -0.25 0.00 -0.05 0.00 0.00 57.45 57.94 1k5q n PHE 71 Cb 1.04 -4.20 0.08 0.00 -0.94 0.00 0.00 39.48 35.45 1k5q n PHE 71 CO 0.00 0.00 0.00 0.20 -0.05 0.00 0.00 176.76 176.91 1k5q s GLY 72 N -3.47 1.74 -0.70 1.37 0.00 -1.26 -1.28 107.32 103.72 1k5q s GLY 72 Ca 0.55 -1.17 -0.16 0.00 0.00 0.00 0.00 44.72 43.94 1k5q s GLY 72 CO 0.81 -0.74 0.71 -0.35 0.00 0.00 0.00 173.10 173.53 1k5q s ASP 73 N -4.56 6.44 -0.13 1.64 -1.08 -1.26 -4.00 116.67 113.73 1k5q s ASP 73 Ca 0.61 -2.07 0.15 0.00 -0.52 0.00 0.00 52.55 50.73 1k5q s ASP 73 Cb -0.09 -2.25 0.41 0.00 -1.46 0.00 0.00 42.92 39.53 1k5q s ASP 73 CO 0.44 -0.83 1.31 -0.90 0.52 0.00 0.00 175.17 175.71 1k5q n ASP 74 N 5.15 3.30 -3.74 -0.34 5.75 -1.26 -4.73 116.55 120.68 1k5q n ASP 74 Ca 0.01 -2.79 -0.20 0.00 -0.01 0.00 0.00 54.79 51.80 1k5q n ASP 74 Cb 0.44 -0.43 -0.17 0.00 -1.03 0.00 0.00 41.12 39.92 1k5q n ASP 74 CO 0.00 0.00 0.00 -0.69 -0.11 0.00 0.00 177.20 176.40 1k5q s VAL 75 N -2.41 0.10 0.23 2.12 1.01 -1.26 -0.97 120.40 119.22 1k5q s VAL 75 Ca 0.34 0.25 0.11 0.00 0.00 0.00 0.00 61.98 62.67 1k5q s VAL 75 Cb 0.27 -0.28 -0.05 0.00 0.00 0.00 0.00 36.38 36.32 1k5q s VAL 75 CO 0.08 0.19 -0.20 -1.81 0.00 0.00 0.00 175.10 173.36 1k5q s ASP 76 N 1.76 3.27 -0.13 3.32 1.01 -0.58 -4.92 116.67 120.39 1k5q s ASP 76 Ca 0.00 -0.96 0.00 0.00 0.71 0.00 0.00 52.55 52.30 1k5q s ASP 76 Cb -0.13 -0.24 -0.01 0.00 1.01 0.00 0.00 42.92 43.55 1k5q s ASP 76 CO -0.03 0.02 -0.14 -0.63 0.21 0.00 0.00 175.17 174.60 1k5q s ILE 77 N -2.30 3.01 -0.22 0.77 1.01 -1.26 -0.30 121.20 121.90 1k5q s ILE 77 Ca 0.24 -0.68 -0.08 0.00 0.00 0.00 0.00 60.65 60.13 1k5q s ILE 77 Cb -0.05 -2.26 -0.04 0.00 0.01 0.00 0.00 42.46 40.12 1k5q s ILE 77 CO 0.11 0.53 0.10 -0.36 0.00 0.00 0.00 174.94 175.31 1k5q s PHE 78 N 0.34 3.21 -0.63 3.97 0.40 -0.10 -1.05 117.98 124.13 1k5q s PHE 78 Ca -0.11 -0.03 -0.26 0.00 -0.60 0.00 0.00 56.93 55.93 1k5q s PHE 78 Cb -0.16 -2.19 0.04 0.00 0.51 0.00 0.00 43.02 41.22 1k5q s PHE 78 CO 0.06 -0.04 1.10 0.00 0.70 0.00 0.00 175.22 177.04 1k5q s ALA 79 N 0.99 3.00 0.33 5.36 0.00 0.22 -0.89 121.76 130.78 1k5q s ALA 79 Ca 0.05 -1.26 -0.19 0.00 0.00 0.00 0.00 51.96 50.56 1k5q s ALA 79 Cb -0.14 -3.97 -0.10 0.00 0.00 0.00 0.00 23.12 18.91 1k5q s ALA 79 CO 0.03 -2.76 0.82 -1.21 0.00 0.00 0.00 175.76 172.65 1k5q s GLU 80 N 4.70 4.20 -0.27 0.00 0.41 0.14 0.29 118.70 128.17 1k5q s GLU 80 Ca 0.34 0.93 -0.12 0.00 -0.41 0.00 0.00 54.97 55.70 1k5q s GLU 80 Cb -0.11 -2.50 -0.05 0.00 -1.78 0.00 0.00 34.13 29.70 1k5q s GLU 80 CO 0.18 0.17 0.25 0.50 -0.49 0.00 0.00 175.26 175.87 1k5q s ARG 81 N -2.71 4.00 0.43 1.61 3.52 -1.26 -2.97 118.95 121.57 1k5q s ARG 81 Ca 0.54 -0.18 0.08 0.00 -0.13 0.00 0.00 55.73 56.03 1k5q s ARG 81 Cb -0.12 -3.63 -0.01 0.00 -1.56 0.00 0.00 34.95 29.63 1k5q s ARG 81 CO 0.18 -0.15 0.41 -0.51 -0.81 0.00 0.00 175.30 174.41 1k5q s LEU 82 N 1.69 3.36 -0.04 -0.88 1.43 -0.35 -1.59 118.68 122.30 1k5q s LEU 82 Ca 0.10 -0.75 -0.01 0.00 -1.03 0.00 0.00 54.13 52.44 1k5q s LEU 82 Cb -0.15 -2.04 0.03 0.00 0.03 0.00 0.00 46.19 44.05 1k5q s LEU 82 CO 0.09 -0.71 0.06 -0.55 0.23 0.00 0.00 176.35 175.47 1k5q s SER 83 N -4.18 0.40 0.54 2.29 0.15 -1.26 -4.71 113.70 106.94 1k5q s SER 83 Ca 0.48 0.10 0.22 0.00 0.70 0.00 0.00 55.95 57.46 1k5q s SER 83 Cb -0.04 -0.04 1.44 0.00 -1.71 0.00 0.00 66.02 65.68 1k5q s SER 83 CO 0.28 -0.17 2.13 0.00 1.20 0.00 0.00 173.24 176.68 1k5q h ALA 84 N 7.70 1.98 0.00 5.45 0.00 -1.99 0.66 119.26 133.06 1k5q h ALA 84 Ca -0.34 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.57 1k5q h ALA 84 Cb 1.12 0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.92 1k5q h ALA 84 CO 0.35 -0.17 -0.21 0.39 0.00 0.00 0.00 179.25 179.62 1k5q n GLU 85 N -4.28 0.25 -3.15 0.00 -0.58 -1.26 -4.25 120.64 107.36 1k5q n GLU 85 Ca 0.00 0.16 -0.24 0.00 -0.42 0.00 0.00 57.16 56.65 1k5q n GLU 85 Cb 0.22 -1.74 -0.05 0.00 -0.57 0.00 0.00 31.44 29.30 1k5q n GLU 85 CO 0.00 0.00 0.00 1.63 -0.48 0.00 0.00 177.13 178.28 1k5q n LYS 86 N -2.14 2.12 -1.74 3.49 5.02 0.22 -5.09 118.16 120.03 1k5q n LYS 86 Ca 0.05 -4.20 -0.41 0.00 -2.02 0.00 0.00 58.31 51.73 1k5q n LYS 86 Cb 0.42 -1.95 0.01 0.00 -0.02 0.00 0.00 35.03 33.49 1k5q n LYS 86 CO 0.00 0.00 0.00 -0.35 -0.52 0.00 0.00 177.40 176.53 1k5q n PRO 87 N 0.40 2.26 -0.56 1.97 -0.04 -1.21 -1.61 135.00 136.21 1k5q n PRO 87 Ca 0.28 0.80 0.00 0.00 -0.04 0.00 0.00 63.50 64.54 1k5q n PRO 87 Cb 0.48 -2.55 0.00 0.00 -0.04 0.00 0.00 33.50 31.40 1k5q n PRO 87 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1k5q n GLY 88 N 0.63 0.76 3.40 0.55 0.00 -1.26 -5.04 105.19 104.23 1k5q n GLY 88 Ca 0.04 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 45.87 1k5q n GLY 88 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1k5q s TYR 89 N -2.78 1.83 -0.01 1.61 1.51 -0.63 -0.15 117.35 118.73 1k5q s TYR 89 Ca 0.00 -0.80 -0.22 0.00 -1.01 0.00 0.00 57.07 55.05 1k5q s TYR 89 Cb 0.00 -1.07 0.04 0.00 -0.11 0.00 0.00 41.96 40.82 1k5q s TYR 89 CO 0.00 0.15 0.48 1.52 -1.11 0.00 0.00 175.55 176.59 1k5q s TYR 90 N -3.17 -0.39 -0.18 2.71 -0.85 -0.26 -4.44 117.35 110.77 1k5q s TYR 90 Ca 0.30 0.60 -0.24 0.00 -0.52 0.00 0.00 57.07 57.21 1k5q s TYR 90 Cb 0.05 0.25 -0.02 0.00 0.38 0.00 0.00 41.96 42.62 1k5q s TYR 90 CO 0.11 -0.52 0.76 -1.17 -1.52 0.00 0.00 175.55 173.21 1k5q s LEU 91 N -1.43 4.16 -0.11 -3.49 2.96 -0.62 0.09 118.68 120.24 1k5q s LEU 91 Ca -0.11 1.05 -0.04 0.00 -0.22 0.00 0.00 54.13 54.81 1k5q s LEU 91 Cb -0.02 -3.11 0.06 0.00 0.50 0.00 0.00 46.19 43.61 1k5q s LEU 91 CO 0.05 -0.36 0.23 -2.28 -1.32 0.00 0.00 176.35 172.67 1k5q s HIS 92 N 2.09 -0.34 -1.19 5.38 5.65 -0.30 -4.16 115.29 122.41 1k5q s HIS 92 Ca 0.35 0.84 -0.15 0.00 0.25 0.00 0.00 55.06 56.35 1k5q s HIS 92 Cb -0.16 -0.10 -0.01 0.00 -1.18 0.00 0.00 32.58 31.13 1k5q s HIS 92 CO 0.11 -0.32 0.73 0.09 -0.65 0.00 0.00 174.74 174.71 1k5q n ASN 93 N 5.25 -4.21 0.00 9.88 3.02 0.55 -2.18 115.26 127.56 1k5q n ASN 93 Ca -0.07 -0.98 0.00 0.00 -0.03 0.00 0.00 54.58 53.49 1k5q n ASN 93 Cb 0.50 -3.49 0.00 0.00 -0.61 0.00 0.00 39.78 36.18 1k5q n ASN 93 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1k5q n GLY 94 N -1.69 0.31 3.19 7.41 0.00 -1.26 -4.96 105.19 108.19 1k5q n GLY 94 Ca -0.15 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.64 1k5q n GLY 94 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1k5q s LYS 95 N -0.69 1.22 -0.66 1.61 1.02 -0.93 -5.08 119.74 116.24 1k5q s LYS 95 Ca 0.00 -0.79 -0.27 0.00 0.02 0.00 0.00 55.97 54.93 1k5q s LYS 95 Cb 0.00 -1.25 0.02 0.00 -0.52 0.00 0.00 37.83 36.08 1k5q s LYS 95 CO 0.00 0.32 1.31 -1.58 -0.92 0.00 0.00 175.35 174.48 1k5q s TRP 96 N -0.71 2.34 0.03 3.18 0.52 -1.26 -1.16 118.94 121.89 1k5q s TRP 96 Ca 0.05 0.22 -0.20 0.00 0.02 0.00 0.00 56.10 56.20 1k5q s TRP 96 Cb -0.08 -4.53 -0.06 0.00 -1.15 0.00 0.00 33.47 27.65 1k5q s TRP 96 CO 0.01 -1.93 0.57 0.08 0.02 0.00 0.00 176.95 175.70 1k5q s VAL 97 N 5.74 4.85 0.14 4.03 1.01 0.11 -4.79 120.40 131.49 1k5q s VAL 97 Ca 0.42 1.20 -0.30 0.00 0.00 0.00 0.00 61.98 63.30 1k5q s VAL 97 Cb -0.09 -3.90 -0.07 0.00 0.00 0.00 0.00 36.38 32.32 1k5q s VAL 97 CO 0.20 0.49 1.21 -0.75 0.00 0.00 0.00 175.10 176.25 1k5q s LYS 98 N -0.64 4.46 0.75 2.72 2.20 -1.26 -1.10 119.74 126.88 1k5q s LYS 98 Ca 0.29 1.86 -0.11 0.00 -0.36 0.00 0.00 55.97 57.65 1k5q s LYS 98 Cb -0.19 -3.27 0.04 0.00 -1.51 0.00 0.00 37.83 32.90 1k5q s LYS 98 CO 0.18 -0.17 1.09 -1.64 -0.36 0.00 0.00 175.35 174.44 1k5q s MET 99 N 0.29 2.45 0.22 4.03 -1.94 0.79 -4.94 119.30 120.20 1k5q s MET 99 Ca 0.56 0.69 -0.19 0.00 -1.71 0.00 0.00 55.69 55.04 1k5q s MET 99 Cb -0.32 -1.96 -0.08 0.00 2.01 0.00 0.00 34.83 34.48 1k5q s MET 99 CO 0.34 -1.37 0.71 -0.51 -0.01 0.00 0.00 175.02 174.17 1k5q s LEU 100 N -5.64 4.34 0.08 -0.03 1.43 0.39 -4.93 118.68 114.32 1k5q s LEU 100 Ca 0.60 1.39 -0.12 0.00 -1.03 0.00 0.00 54.13 54.96 1k5q s LEU 100 Cb -0.14 -3.57 0.01 0.00 0.03 0.00 0.00 46.19 42.52 1k5q s LEU 100 CO 0.54 0.03 0.27 -0.94 0.23 0.00 0.00 176.35 176.48 1k5q s SER 101 N -1.67 -0.03 -0.02 2.29 1.04 -1.26 -1.05 113.70 112.99 1k5q s SER 101 Ca 0.43 -0.43 -0.21 0.00 0.48 0.00 0.00 55.95 56.22 1k5q s SER 101 Cb -0.16 0.37 0.04 0.00 0.10 0.00 0.00 66.02 66.37 1k5q s SER 101 CO 0.21 -0.71 0.45 0.00 0.98 0.00 0.00 173.24 174.16 1k5q s ARG 102 N -3.39 0.83 -0.09 4.02 1.70 -0.94 -4.98 118.95 116.10 1k5q s ARG 102 Ca 0.01 -0.05 -0.16 0.00 -0.47 0.00 0.00 55.73 55.06 1k5q s ARG 102 Cb 0.02 0.38 -0.05 0.00 -0.57 0.00 0.00 34.95 34.73 1k5q s ARG 102 CO -0.09 -0.25 0.43 -1.21 -1.08 0.00 0.00 175.30 173.10 1k5q s GLU 103 N -1.38 4.22 0.05 3.89 0.41 -1.26 -1.75 118.70 122.89 1k5q s GLU 103 Ca -0.12 0.38 0.08 0.00 -0.41 0.00 0.00 54.97 54.90 1k5q s GLU 103 Cb -0.03 -3.38 -0.03 0.00 -1.78 0.00 0.00 34.13 28.91 1k5q s GLU 103 CO 0.06 0.31 -0.23 -1.21 -0.49 0.00 0.00 175.26 173.70 1k5q s GLU 104 N 0.14 1.52 -0.13 1.61 0.41 0.25 -5.00 118.70 117.50 1k5q s GLU 104 Ca 0.24 -1.05 -0.00 0.00 -0.41 0.00 0.00 54.97 53.75 1k5q s GLU 104 Cb -0.15 -1.69 0.03 0.00 -1.78 0.00 0.00 34.13 30.53 1k5q s GLU 104 CO 0.10 0.43 -0.09 0.99 -0.49 0.00 0.00 175.26 176.20 1k5q s THR 105 N -0.85 1.19 -0.52 3.63 2.01 -1.26 -1.10 115.64 118.74 1k5q s THR 105 Ca 0.09 -0.45 -0.23 0.00 0.31 0.00 0.00 61.69 61.41 1k5q s THR 105 Cb -0.09 -1.21 0.04 0.00 0.01 0.00 0.00 72.50 71.25 1k5q s THR 105 CO 0.02 0.35 0.86 -0.63 -0.69 0.00 0.00 174.62 174.52 1k5q s ILE 106 N 1.63 4.52 0.28 1.82 -1.09 0.20 -4.90 121.20 123.66 1k5q s ILE 106 Ca 0.04 0.16 -0.29 0.00 -2.23 0.00 0.00 60.65 58.33 1k5q s ILE 106 Cb -0.13 -4.46 -0.10 0.00 -1.58 0.00 0.00 42.46 36.20 1k5q s ILE 106 CO -0.09 -0.99 1.13 -0.89 -1.23 0.00 0.00 174.94 172.88 1k5q s THR 107 N 3.59 3.40 -0.12 2.92 2.01 -1.26 -1.68 115.64 124.50 1k5q s THR 107 Ca 0.27 1.39 -0.00 0.00 0.31 0.00 0.00 61.69 63.66 1k5q s THR 107 Cb -0.14 -3.89 0.02 0.00 0.01 0.00 0.00 72.50 68.51 1k5q s THR 107 CO 0.18 0.32 -0.08 -0.69 -0.69 0.00 0.00 174.62 173.67 1k5q s VAL 108 N -1.07 1.09 0.11 3.82 1.01 -1.26 -4.98 120.40 119.11 1k5q s VAL 108 Ca 0.46 -0.33 -0.33 0.00 0.00 0.00 0.00 61.98 61.77 1k5q s VAL 108 Cb -0.33 -1.10 -0.13 0.00 0.00 0.00 0.00 36.38 34.82 1k5q s VAL 108 CO 0.42 0.38 1.69 1.17 0.00 0.00 0.00 175.10 178.76 1k5q n LYS 109 N 4.92 2.30 -1.80 2.72 3.00 -1.26 -1.12 118.16 126.93 1k5q n LYS 109 Ca -0.13 0.83 -0.16 0.00 -0.00 0.00 0.00 58.31 58.86 1k5q n LYS 109 Cb 0.50 -2.65 -0.05 0.00 0.00 0.00 0.00 35.03 32.84 1k5q n LYS 109 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.40 177.49 1k5q n ASN 110 N 4.46 -4.38 -3.88 3.14 5.03 -1.26 -4.93 115.26 113.45 1k5q n ASN 110 Ca 0.18 0.29 -0.15 0.00 0.87 0.00 0.00 54.58 55.78 1k5q n ASN 110 Cb 0.31 -3.88 -0.09 0.00 -1.02 0.00 0.00 39.78 35.10 1k5q n ASN 110 CO 0.00 0.00 0.00 -0.83 -1.83 0.00 0.00 177.26 174.60 1k5q s GLY 111 N -2.24 1.80 0.13 7.41 0.00 -0.28 -5.14 107.32 109.00 1k5q s GLY 111 Ca 0.00 -1.85 -0.27 0.00 0.00 0.00 0.00 44.72 42.61 1k5q s GLY 111 CO 0.00 -1.43 0.83 1.62 0.00 0.00 0.00 173.10 174.12 1k5q s GLN 112 N -3.88 4.62 0.72 2.90 0.74 -1.26 -4.52 119.66 118.97 1k5q s GLN 112 Ca 0.40 1.24 -0.14 0.00 0.05 0.00 0.00 55.36 56.90 1k5q s GLN 112 Cb 0.05 -3.32 0.03 0.00 1.10 0.00 0.00 33.01 30.88 1k5q s GLN 112 CO 0.18 0.41 1.15 0.00 -0.55 0.00 0.00 175.29 176.48 1k5q s ALA 113 N -0.62 2.24 -0.07 1.58 0.00 -1.26 -4.59 121.76 119.03 1k5q s ALA 113 Ca 0.39 0.64 -0.01 0.00 0.00 0.00 0.00 51.96 52.99 1k5q s ALA 113 Cb -0.23 -3.38 0.03 0.00 0.00 0.00 0.00 23.12 19.54 1k5q s ALA 113 CO 0.27 -1.66 -0.01 -2.00 0.00 0.00 0.00 175.76 172.36 1k5q s GLU 114 N -4.15 0.67 -0.11 0.00 2.12 -0.68 -4.97 118.70 111.59 1k5q s GLU 114 Ca 0.69 0.07 -0.03 0.00 0.36 0.00 0.00 54.97 56.06 1k5q s GLU 114 Cb -0.23 -0.98 -0.03 0.00 0.26 0.00 0.00 34.13 33.14 1k5q s GLU 114 CO 0.46 -0.28 0.01 0.99 -0.54 0.00 0.00 175.26 175.89 1k5q s THR 115 N 1.86 4.35 0.27 -1.70 2.01 -1.26 0.58 115.64 121.75 1k5q s THR 115 Ca 0.03 -0.22 -0.12 0.00 0.31 0.00 0.00 61.69 61.69 1k5q s THR 115 Cb -0.12 -2.85 0.00 0.00 0.01 0.00 0.00 72.50 69.53 1k5q s THR 115 CO -0.05 0.57 0.52 0.72 -0.69 0.00 0.00 174.62 175.69 1k5q s PHE 116 N -0.58 0.39 0.01 4.92 -0.71 -0.26 -5.00 117.98 116.74 1k5q s PHE 116 Ca 0.10 -0.76 0.05 0.00 -1.04 0.00 0.00 56.93 55.27 1k5q s PHE 116 Cb -0.12 0.24 -0.03 0.00 -1.21 0.00 0.00 43.02 41.90 1k5q s PHE 116 CO 0.02 -1.07 -0.11 0.99 -1.34 0.00 0.00 175.22 173.71 1k5q s THR 117 N -3.78 3.32 -0.08 -4.49 2.01 -1.26 -0.58 115.64 110.78 1k5q s THR 117 Ca 0.22 -0.91 0.02 0.00 0.31 0.00 0.00 61.69 61.33 1k5q s THR 117 Cb -0.01 -2.43 -0.02 0.00 0.01 0.00 0.00 72.50 70.05 1k5q s THR 117 CO 0.10 0.38 -0.15 -0.69 -0.69 0.00 0.00 174.62 173.58 1k5q s VAL 118 N -0.96 2.98 -0.00 3.82 1.01 -0.72 -4.97 120.40 121.57 1k5q s VAL 118 Ca 0.16 -0.72 0.06 0.00 0.00 0.00 0.00 61.98 61.48 1k5q s VAL 118 Cb -0.11 -2.20 -0.03 0.00 0.00 0.00 0.00 36.38 34.05 1k5q s VAL 118 CO 0.06 0.56 -0.18 0.26 0.00 0.00 0.00 175.10 175.81 1k5q s TRP 119 N -0.25 2.57 0.03 5.22 0.52 -1.26 -2.20 118.94 123.56 1k5q s TRP 119 Ca 0.01 -0.25 0.01 0.00 0.02 0.00 0.00 56.10 55.89 1k5q s TRP 119 Cb -0.13 -1.53 -0.02 0.00 -1.15 0.00 0.00 33.47 30.65 1k5q s TRP 119 CO 0.03 0.18 -0.05 0.50 0.02 0.00 0.00 176.95 177.63 1k5q s ARG 120 N -1.06 0.41 0.47 4.98 3.52 -0.21 0.14 118.95 127.19 1k5q s ARG 120 Ca 0.13 -0.57 0.02 0.00 -0.13 0.00 0.00 55.73 55.18 1k5q s ARG 120 Cb -0.10 -0.17 -0.01 0.00 -1.56 0.00 0.00 34.95 33.10 1k5q s ARG 120 CO 0.03 0.03 0.06 0.95 -0.81 0.00 0.00 175.30 175.55 1k5q s THR 121 N -1.11 0.85 0.25 4.11 -4.23 -0.65 -0.46 115.64 114.42 1k5q s THR 121 Ca -0.09 -2.00 0.27 0.00 -1.18 0.00 0.00 61.69 58.69 1k5q s THR 121 Cb -0.08 -2.20 0.27 0.00 1.34 0.00 0.00 72.50 71.83 1k5q s THR 121 CO -0.00 0.00 1.81 1.62 -0.54 0.00 0.00 174.62 177.51 1k5q h VAL 122 N 1.52 0.00 0.00 2.29 3.04 -2.00 -0.12 116.25 120.97 1k5q h VAL 122 Ca -0.40 0.00 -0.05 0.00 -1.01 0.00 0.00 66.70 65.25 1k5q h VAL 122 Cb 1.30 0.60 -0.01 0.00 -2.01 0.00 0.00 31.29 31.17 1k5q h VAL 122 CO 0.65 0.00 -1.57 1.41 -1.01 0.00 0.00 177.57 177.06 1k5q n HIS 123 N -2.55 0.50 0.00 3.17 8.25 -1.26 -5.08 115.22 118.25 1k5q n HIS 123 Ca -0.02 0.15 0.00 0.00 -0.26 0.00 0.00 57.72 57.59 1k5q n HIS 123 Cb 0.19 -0.78 0.00 0.00 1.12 0.00 0.00 29.99 30.51 1k5q n HIS 123 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1k5q n GLY 124 N 1.28 1.02 3.77 -1.41 0.00 -0.06 -3.30 105.19 106.49 1k5q n GLY 124 Ca -0.05 -1.95 -0.40 0.00 0.00 0.00 0.00 46.02 43.62 1k5q n GLY 124 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1k5q s ASN 125 N -0.55 6.13 0.07 1.61 0.01 -1.26 -1.63 114.94 119.33 1k5q s ASN 125 Ca 0.00 2.89 -0.30 0.00 -0.71 0.00 0.00 52.86 54.74 1k5q s ASN 125 Cb 0.00 -2.65 -0.05 0.00 0.41 0.00 0.00 41.25 38.95 1k5q s ASN 125 CO 0.00 -1.00 1.13 -0.63 -1.51 0.00 0.00 177.10 175.09 1k5q s ILE 126 N -1.19 4.18 0.53 0.60 -1.09 0.12 -1.93 121.20 122.42 1k5q s ILE 126 Ca 0.57 1.63 -0.19 0.00 -2.23 0.00 0.00 60.65 60.43 1k5q s ILE 126 Cb -0.43 -4.04 -0.07 0.00 -1.58 0.00 0.00 42.46 36.34 1k5q s ILE 126 CO 0.57 0.16 1.08 -0.76 -1.23 0.00 0.00 174.94 174.76 1k5q s LEU 127 N 0.74 3.75 0.04 2.97 1.43 0.66 -4.79 118.68 123.49 1k5q s LEU 127 Ca 0.55 2.03 -0.16 0.00 -1.03 0.00 0.00 54.13 55.52 1k5q s LEU 127 Cb -0.28 -4.57 -0.29 0.00 0.03 0.00 0.00 46.19 41.09 1k5q s LEU 127 CO 0.30 -1.04 1.07 -0.61 0.23 0.00 0.00 176.35 176.31 1k5q h GLN 128 N 1.24 0.57 -7.37 1.70 5.75 -1.95 -3.43 115.11 111.61 1k5q h GLN 128 Ca -0.49 -0.78 -0.47 0.00 -0.15 0.00 0.00 58.65 56.76 1k5q h GLN 128 Cb 1.24 0.26 0.14 0.00 1.07 0.00 0.00 27.48 30.19 1k5q h GLN 128 CO 0.58 1.35 0.25 0.95 -2.65 0.00 0.00 178.83 179.31 1k5q s THR 129 N -2.93 2.46 -1.49 2.39 -4.23 -1.26 -4.26 115.64 106.32 1k5q s THR 129 Ca -0.10 0.15 -0.10 0.00 -1.18 0.00 0.00 61.69 60.46 1k5q s THR 129 Cb 0.05 -2.71 0.07 0.00 1.34 0.00 0.00 72.50 71.25 1k5q s THR 129 CO 0.91 -0.20 0.83 0.47 -0.54 0.00 0.00 174.62 176.10 1k5q n ASP 130 N -3.89 -3.27 -4.81 3.99 9.92 -1.26 -4.77 116.55 112.45 1k5q n ASP 130 Ca 0.06 -0.84 -0.36 0.00 -0.53 0.00 0.00 54.79 53.12 1k5q n ASP 130 Cb 0.56 -3.69 -0.07 0.00 -0.64 0.00 0.00 41.12 37.29 1k5q n ASP 130 CO 0.00 0.00 0.00 -1.10 0.13 0.00 0.00 177.20 176.23 1k5q s GLN 131 N -6.51 3.28 0.41 -1.24 -0.21 -1.26 -4.70 119.66 109.43 1k5q s GLN 131 Ca 0.45 -0.23 0.04 0.00 0.02 0.00 0.00 55.36 55.64 1k5q s GLN 131 Cb -0.23 -3.05 -0.03 0.00 1.00 0.00 0.00 33.01 30.70 1k5q s GLN 131 CO 0.85 0.75 0.12 0.99 -2.12 0.00 0.00 175.29 175.88 1k5q s THR 132 N -0.97 0.66 0.30 -0.19 2.01 -0.71 -5.00 115.64 111.74 1k5q s THR 132 Ca 0.14 -2.00 0.21 0.00 0.31 0.00 0.00 61.69 60.36 1k5q s THR 132 Cb -0.12 -2.37 0.20 0.00 0.01 0.00 0.00 72.50 70.22 1k5q s THR 132 CO 0.03 0.00 1.89 0.74 -0.69 0.00 0.00 174.62 176.60 1k5q h THR 133 N 1.80 0.80 0.00 -0.82 2.02 -1.99 -3.20 112.91 111.52 1k5q h THR 133 Ca -0.36 -1.03 0.00 0.00 0.77 0.00 0.00 66.41 65.79 1k5q h THR 133 Cb 1.27 1.63 0.00 0.00 -1.74 0.00 0.00 68.15 69.31 1k5q h THR 133 CO 0.58 0.25 -0.89 0.00 0.37 0.00 0.00 175.52 175.83 1k5q n GLN 134 N -3.68 1.75 -4.15 6.66 0.00 -1.26 -4.23 117.38 112.47 1k5q n GLN 134 Ca -0.01 -0.03 -0.16 0.00 0.00 0.00 0.00 57.00 56.81 1k5q n GLN 134 Cb 0.37 -1.24 -0.12 0.00 0.00 0.00 0.00 30.24 29.25 1k5q n GLN 134 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.06 178.05 1k5q s THR 135 N -2.54 0.75 -0.09 -0.39 2.01 -1.21 -1.22 115.64 112.95 1k5q s THR 135 Ca 0.04 -1.00 -0.15 0.00 0.31 0.00 0.00 61.69 60.88 1k5q s THR 135 Cb 0.11 -0.74 0.03 0.00 0.01 0.00 0.00 72.50 71.91 1k5q s THR 135 CO 0.62 -0.21 0.38 0.00 -0.69 0.00 0.00 174.62 174.72 1k5q s ALA 136 N -1.10 -0.95 -0.12 7.40 0.00 -1.16 -1.74 121.76 124.10 1k5q s ALA 136 Ca -0.05 0.83 -0.04 0.00 0.00 0.00 0.00 51.96 52.70 1k5q s ALA 136 Cb -0.09 -0.34 -0.04 0.00 0.00 0.00 0.00 23.12 22.66 1k5q s ALA 136 CO 0.01 -0.22 0.03 0.71 0.00 0.00 0.00 175.76 176.29 1k5q s TYR 137 N -0.44 3.23 -0.10 0.00 2.02 -1.26 0.24 117.35 121.04 1k5q s TYR 137 Ca -0.06 0.16 0.01 0.00 -0.37 0.00 0.00 57.07 56.82 1k5q s TYR 137 Cb -0.03 -1.89 -0.02 0.00 -0.40 0.00 0.00 41.96 39.61 1k5q s TYR 137 CO 0.02 0.38 -0.14 0.00 -1.57 0.00 0.00 175.55 174.24 1k5q s ALA 138 N -0.49 2.60 -0.31 3.71 0.00 -0.07 -0.25 121.76 126.96 1k5q s ALA 138 Ca 0.09 -0.92 -0.19 0.00 0.00 0.00 0.00 51.96 50.94 1k5q s ALA 138 Cb -0.12 -1.11 -0.01 0.00 0.00 0.00 0.00 23.12 21.88 1k5q s ALA 138 CO 0.02 0.35 0.57 0.21 0.00 0.00 0.00 175.76 176.91 1k5q s LYS 139 N 0.01 3.84 -0.32 0.00 2.20 -0.81 -0.92 119.74 123.74 1k5q s LYS 139 Ca -0.04 0.15 -0.10 0.00 -0.36 0.00 0.00 55.97 55.62 1k5q s LYS 139 Cb -0.14 -3.74 -0.00 0.00 -1.51 0.00 0.00 37.83 32.43 1k5q s LYS 139 CO 0.04 -0.56 0.16 0.45 -0.36 0.00 0.00 175.35 175.08 1k5q s SER 140 N 1.67 5.58 -0.22 1.43 0.15 0.59 -3.98 113.70 118.92 1k5q s SER 140 Ca 0.22 -0.56 -0.11 0.00 0.70 0.00 0.00 55.95 56.21 1k5q s SER 140 Cb -0.15 -2.01 -0.05 0.00 -1.71 0.00 0.00 66.02 62.10 1k5q s SER 140 CO 0.12 -0.21 0.16 -0.13 1.20 0.00 0.00 173.24 174.38 1k5q s ARG 141 N 1.61 4.14 0.66 5.44 0.52 -1.26 -1.53 118.95 128.52 1k5q s ARG 141 Ca 0.04 -0.21 0.42 0.00 -0.52 0.00 0.00 55.73 55.46 1k5q s ARG 141 Cb -0.17 -3.48 2.31 0.00 0.52 0.00 0.00 34.95 34.13 1k5q s ARG 141 CO 0.06 0.17 2.34 0.00 0.02 0.00 0.00 175.30 177.89 1k5q h ALA 142 N 7.10 1.10 -0.02 2.13 0.00 -1.32 -1.03 119.26 127.23 1k5q h ALA 142 Ca -0.39 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.52 1k5q h ALA 142 Cb 1.16 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.95 1k5q h ALA 142 CO 0.71 -0.02 -0.03 -2.67 0.00 0.00 0.00 179.25 177.24 1k5q n TRP 143 N -3.19 0.00 -1.64 0.00 4.27 -1.26 -4.81 117.44 110.81 1k5q n TRP 143 Ca -0.03 0.00 -0.49 0.00 -3.89 0.00 0.00 57.50 53.09 1k5q n TRP 143 Cb 0.09 -0.01 -0.05 0.00 -1.36 0.00 0.00 31.31 29.98 1k5q n TRP 143 CO 0.00 0.00 0.00 -3.47 -2.29 0.00 0.00 177.69 171.93 1k5q n ASP 144 N 0.41 2.54 0.00 -0.67 2.03 -0.39 -0.18 116.55 120.29 1k5q n ASP 144 Ca 0.17 1.09 0.00 0.00 0.52 0.00 0.00 54.79 56.57 1k5q n ASP 144 Cb 0.42 -1.32 0.00 0.00 -0.72 0.00 0.00 41.12 39.50 1k5q n ASP 144 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 1k5q n GLY 145 N 3.17 0.93 0.13 0.27 0.00 -1.26 -4.89 105.19 103.55 1k5q n GLY 145 Ca 0.18 0.00 0.10 0.00 0.00 0.00 0.00 46.02 46.30 1k5q n GLY 145 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1k5q n LYS 146 N -2.00 1.45 0.18 1.61 5.02 0.75 -4.77 118.16 120.40 1k5q n LYS 146 Ca 0.00 -2.57 -0.15 0.00 -2.02 0.00 0.00 58.31 53.57 1k5q n LYS 146 Cb 0.00 -1.51 -0.08 0.00 -0.02 0.00 0.00 35.03 33.42 1k5q n LYS 146 CO 0.00 0.00 0.00 0.93 -0.52 0.00 0.00 177.40 177.81 1k5q h GLU 147 N 0.14 -0.37 -0.30 1.97 3.07 -1.91 -1.67 114.58 115.52 1k5q h GLU 147 Ca 0.00 0.03 -0.07 0.00 -0.50 0.00 0.00 59.36 58.82 1k5q h GLU 147 Cb 1.02 0.08 -0.02 0.00 -0.84 0.00 0.00 28.75 29.00 1k5q h GLU 147 CO 0.02 -0.24 -0.11 -0.07 -1.40 0.00 0.00 179.01 177.21 1k5q h LEU 148 N -0.40 0.49 -0.95 1.33 4.07 -1.95 -1.87 115.31 116.03 1k5q h LEU 148 Ca -0.04 -0.12 -0.06 0.00 0.08 0.00 0.00 57.88 57.74 1k5q h LEU 148 Cb 0.30 -0.13 -0.03 0.00 1.08 0.00 0.00 40.66 41.89 1k5q h LEU 148 CO 0.06 0.64 0.12 0.00 -1.08 0.00 0.00 178.44 178.18 1k5q h ALA 149 N 1.42 1.14 -0.43 1.53 0.00 -1.82 0.14 119.26 121.23 1k5q h ALA 149 Ca 0.09 -0.22 -0.12 0.00 0.00 0.00 0.00 54.91 54.65 1k5q h ALA 149 Cb 0.48 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 18.03 1k5q h ALA 149 CO 0.03 0.57 -0.21 0.77 0.00 0.00 0.00 179.25 180.41 1k5q h SER 150 N 0.85 0.94 -0.09 0.00 0.02 -0.91 0.55 113.55 114.90 1k5q h SER 150 Ca 0.18 -0.40 0.00 0.00 -0.84 0.00 0.00 61.79 60.73 1k5q h SER 150 Cb 0.34 -0.26 -0.01 0.00 0.14 0.00 0.00 62.40 62.61 1k5q h SER 150 CO 0.00 1.13 0.05 0.25 -1.14 0.00 0.00 176.83 177.12 1k5q h LEU 151 N 0.74 0.07 -0.53 5.07 6.46 -0.61 -1.13 115.31 125.38 1k5q h LEU 151 Ca 0.10 0.00 -0.07 0.00 -0.12 0.00 0.00 57.88 57.79 1k5q h LEU 151 Cb 0.78 -0.01 -0.02 0.00 -0.73 0.00 0.00 40.66 40.68 1k5q h LEU 151 CO 0.06 0.06 0.07 -0.07 -0.62 0.00 0.00 178.44 177.94 1k5q h LEU 152 N 0.10 0.86 -1.27 2.25 3.38 -0.58 -2.61 115.31 117.43 1k5q h LEU 152 Ca 0.04 -0.27 0.02 0.00 0.09 0.00 0.00 57.88 57.76 1k5q h LEU 152 Cb 0.00 -0.23 -0.04 0.00 0.09 0.00 0.00 40.66 40.48 1k5q h LEU 152 CO -0.02 0.91 0.50 0.00 0.09 0.00 0.00 178.44 179.92 1k5q h ALA 153 N 0.98 1.50 0.00 1.53 0.00 0.29 0.27 119.26 123.83 1k5q h ALA 153 Ca 0.16 -0.05 -0.03 0.00 0.00 0.00 0.00 54.91 54.99 1k5q h ALA 153 Cb 0.42 -0.29 -0.00 0.00 0.00 0.00 0.00 17.79 17.92 1k5q h ALA 153 CO 0.01 0.44 -0.15 2.35 0.00 0.00 0.00 179.25 181.91 1k5q h TRP 154 N 0.98 0.00 0.00 0.00 2.91 -0.95 -1.36 115.95 117.53 1k5q h TRP 154 Ca 0.29 0.00 -0.10 0.00 1.13 0.00 0.00 58.89 60.21 1k5q h TRP 154 Cb -0.04 0.00 -0.01 0.00 -0.51 0.00 0.00 29.16 28.59 1k5q h TRP 154 CO -0.00 0.15 -0.67 1.15 -1.03 0.00 0.00 178.44 178.04 1k5q h THR 155 N 0.00 0.67 -0.20 2.65 2.02 -0.82 -3.38 112.91 113.84 1k5q h THR 155 Ca -0.00 -1.70 0.02 0.00 0.77 0.00 0.00 66.41 65.50 1k5q h THR 155 Cb 0.50 1.46 -0.01 0.00 -1.74 0.00 0.00 68.15 68.36 1k5q h THR 155 CO 0.02 0.23 0.14 0.45 0.37 0.00 0.00 175.52 176.72 1k5q h HIS 156 N -1.00 0.16 -0.11 3.16 3.86 -0.53 -1.80 115.15 118.89 1k5q h HIS 156 Ca -0.14 0.00 0.03 0.00 -1.16 0.00 0.00 60.37 59.10 1k5q h HIS 156 Cb 0.85 -0.05 -0.00 0.00 1.06 0.00 0.00 27.41 29.26 1k5q h HIS 156 CO 0.02 0.10 0.10 -0.56 0.86 0.00 0.00 177.93 178.45 1k5q h GLN 157 N 0.17 0.00 0.00 2.45 -0.00 -1.42 -0.34 115.11 115.97 1k5q h GLN 157 Ca 0.08 0.00 0.00 0.00 -0.00 0.00 0.00 58.65 58.73 1k5q h GLN 157 Cb 0.13 0.00 0.00 0.00 -0.00 0.00 0.00 27.48 27.61 1k5q h GLN 157 CO -0.01 0.00 0.00 0.52 -0.00 0.00 0.00 178.83 179.34 1k5q h MET 158 N 0.00 0.00 -0.00 0.06 2.86 -1.51 -2.12 114.93 114.22 1k5q h MET 158 Ca 0.05 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.69 1k5q h MET 158 Cb 0.25 0.00 0.00 0.00 0.06 0.00 0.00 31.60 31.91 1k5q h MET 158 CO -0.00 0.00 -0.50 1.63 1.06 0.00 0.00 176.91 179.10 1k5q n LYS 159 N -2.63 0.29 -1.91 1.72 5.02 -0.14 -4.78 118.16 115.74 1k5q n LYS 159 Ca -0.01 -0.19 -0.39 0.00 -2.02 0.00 0.00 58.31 55.71 1k5q n LYS 159 Cb 0.12 -1.50 0.02 0.00 -0.02 0.00 0.00 35.03 33.66 1k5q n LYS 159 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1k5q s ALA 160 N -2.84 3.01 0.00 7.82 0.00 -0.80 -4.94 121.76 124.01 1k5q s ALA 160 Ca 0.15 1.28 0.00 0.00 0.00 0.00 0.00 51.96 53.39 1k5q s ALA 160 Cb 0.18 -3.53 0.00 0.00 0.00 0.00 0.00 23.12 19.77 1k5q s ALA 160 CO 0.67 -1.13 0.49 1.63 0.00 0.00 0.00 175.76 177.42 1k5q n LYS 161 N -0.56 -0.56 -3.82 0.00 4.76 -1.26 -4.67 118.16 112.05 1k5q n LYS 161 Ca 0.08 -0.54 -0.05 0.00 -2.87 0.00 0.00 58.31 54.93 1k5q n LYS 161 Cb 0.44 -0.95 -0.00 0.00 -1.84 0.00 0.00 35.03 32.68 1k5q n LYS 161 CO 0.00 0.00 0.00 0.54 -1.37 0.00 0.00 177.40 176.57 1k5q s ASN 162 N -0.08 -0.13 0.19 4.39 2.20 -1.26 -4.87 114.94 115.37 1k5q s ASN 162 Ca 0.00 -0.65 -0.12 0.00 -0.94 0.00 0.00 52.86 51.15 1k5q s ASN 162 Cb 0.00 0.63 0.22 0.00 -2.00 0.00 0.00 41.25 40.10 1k5q s ASN 162 CO 0.00 -1.19 1.73 -0.25 -2.94 0.00 0.00 177.10 174.44 1k5q h TRP 163 N 2.00 0.25 0.28 1.54 -0.00 -1.98 -0.74 115.95 117.30 1k5q h TRP 163 Ca -0.25 0.03 -0.01 0.00 -0.00 0.00 0.00 58.89 58.66 1k5q h TRP 163 Cb 1.24 -0.03 0.00 0.00 -0.00 0.00 0.00 29.16 30.37 1k5q h TRP 163 CO 0.75 0.03 -0.13 1.96 -0.00 0.00 0.00 178.44 181.05 1k5q h GLN 164 N 0.30 -0.36 -0.85 2.65 1.08 -1.98 0.11 115.11 116.06 1k5q h GLN 164 Ca 0.27 0.02 0.10 0.00 -1.45 0.00 0.00 58.65 57.60 1k5q h GLN 164 Cb 0.35 0.08 -0.06 0.00 -0.05 0.00 0.00 27.48 27.80 1k5q h GLN 164 CO -0.32 -0.06 0.55 0.93 -0.95 0.00 0.00 178.83 178.98 1k5q h GLU 165 N -0.67 0.77 -0.05 1.46 5.08 -1.93 -1.84 114.58 117.39 1k5q h GLU 165 Ca -0.04 -0.05 -0.06 0.00 -1.00 0.00 0.00 59.36 58.21 1k5q h GLU 165 Cb 0.47 -0.17 0.00 0.00 0.50 0.00 0.00 28.75 29.55 1k5q h GLU 165 CO 0.06 0.51 -0.21 2.35 -1.00 0.00 0.00 179.01 180.72 1k5q h TRP 166 N 0.79 0.32 0.00 4.33 7.01 -0.84 -3.08 115.95 124.47 1k5q h TRP 166 Ca 0.40 -0.13 -0.02 0.00 2.11 0.00 0.00 58.89 61.24 1k5q h TRP 166 Cb 0.47 -0.05 -0.00 0.00 -2.10 0.00 0.00 29.16 27.47 1k5q h TRP 166 CO -0.00 0.83 -0.11 1.79 -2.79 0.00 0.00 178.44 178.16 1k5q h THR 167 N -0.29 0.90 -0.75 2.65 1.35 -0.56 0.23 112.91 116.43 1k5q h THR 167 Ca -0.01 -0.42 0.03 0.00 -0.55 0.00 0.00 66.41 65.47 1k5q h THR 167 Cb 0.85 1.24 -0.04 0.00 -1.73 0.00 0.00 68.15 68.46 1k5q h THR 167 CO 0.04 0.11 0.50 1.56 -0.25 0.00 0.00 175.52 177.48 1k5q h GLN 168 N 0.00 0.91 0.13 4.72 4.20 -1.25 0.70 115.11 124.52 1k5q h GLN 168 Ca -0.00 -0.05 -0.30 0.00 0.06 0.00 0.00 58.65 58.36 1k5q h GLN 168 Cb 0.23 -0.20 0.03 0.00 0.30 0.00 0.00 27.48 27.83 1k5q h GLN 168 CO 0.01 0.60 -1.26 1.96 -0.67 0.00 0.00 178.83 179.48 1k5q h GLN 169 N 0.93 0.56 -0.62 1.46 1.08 -0.60 -3.24 115.11 114.69 1k5q h GLN 169 Ca 0.30 -0.78 0.07 0.00 -1.45 0.00 0.00 58.65 56.79 1k5q h GLN 169 Cb 0.03 0.26 -0.04 0.00 -0.05 0.00 0.00 27.48 27.68 1k5q h GLN 169 CO -0.08 1.35 0.41 0.00 -0.95 0.00 0.00 178.83 179.56 1k5q h ALA 170 N 0.34 1.82 0.00 3.87 0.00 -0.31 0.49 119.26 125.47 1k5q h ALA 170 Ca -0.18 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.71 1k5q h ALA 170 Cb 1.93 -0.15 0.00 0.00 0.00 0.00 0.00 17.79 19.57 1k5q h ALA 170 CO 0.23 0.08 0.00 0.00 0.00 0.00 0.00 179.25 179.56 1k5q h ALA 171 N 1.67 1.00 -0.01 0.00 0.00 -0.90 -2.35 119.26 118.66 1k5q h ALA 171 Ca 0.27 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.18 1k5q h ALA 171 Cb 0.30 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.09 1k5q h ALA 171 CO -0.08 0.00 -0.66 1.63 0.00 0.00 0.00 179.25 180.14 1k5q n LYS 172 N -2.55 0.86 -2.89 0.00 5.02 0.15 -4.86 118.16 113.89 1k5q n LYS 172 Ca -0.00 -0.59 -0.42 0.00 -2.02 0.00 0.00 58.31 55.27 1k5q n LYS 172 Cb 0.14 -1.46 -0.04 0.00 -0.02 0.00 0.00 35.03 33.65 1k5q n LYS 172 CO 0.00 0.00 0.00 -1.14 -0.52 0.00 0.00 177.40 175.74 1k5q s GLN 173 N -2.62 4.11 -0.00 1.97 -0.44 -0.89 -3.85 119.66 117.95 1k5q s GLN 173 Ca 0.14 0.84 0.22 0.00 -2.50 0.00 0.00 55.36 54.06 1k5q s GLN 173 Cb 0.17 -3.68 -0.18 0.00 -1.64 0.00 0.00 33.01 27.68 1k5q s GLN 173 CO 0.67 -0.59 0.86 0.00 0.50 0.00 0.00 175.29 176.72 1k5q n ALA 174 N 6.12 4.13 -1.57 1.58 0.00 -1.26 -2.65 120.51 126.85 1k5q n ALA 174 Ca 0.05 -0.55 -0.32 0.00 0.00 0.00 0.00 53.44 52.63 1k5q n ALA 174 Cb 0.48 -0.81 0.04 0.00 0.00 0.00 0.00 19.45 19.16 1k5q n ALA 174 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 1k5q s LEU 175 N -3.43 3.24 -0.98 0.00 1.43 -1.26 -0.36 118.68 117.32 1k5q s LEU 175 Ca 0.04 1.69 -0.22 0.00 -1.03 0.00 0.00 54.13 54.62 1k5q s LEU 175 Cb 0.15 -4.51 0.07 0.00 0.03 0.00 0.00 46.19 41.94 1k5q s LEU 175 CO 0.86 -1.40 1.34 0.28 0.23 0.00 0.00 176.35 177.66 1k5q s THR 176 N -2.85 4.16 0.01 5.49 -1.32 -1.26 -3.16 115.64 116.69 1k5q s THR 176 Ca 0.60 -0.95 0.03 0.00 -1.21 0.00 0.00 61.69 60.16 1k5q s THR 176 Cb -0.15 -4.97 -0.01 0.00 -1.51 0.00 0.00 72.50 65.87 1k5q s THR 176 CO 0.50 -1.80 -0.09 -0.63 -2.21 0.00 0.00 174.62 170.39 1k5q s ILE 177 N 4.32 0.67 -0.25 5.08 -1.09 -1.16 -1.57 121.20 127.20 1k5q s ILE 177 Ca 0.41 -0.51 -0.25 0.00 -2.23 0.00 0.00 60.65 58.08 1k5q s ILE 177 Cb -0.02 -0.59 -0.00 0.00 -1.58 0.00 0.00 42.46 40.26 1k5q s ILE 177 CO -0.09 0.09 0.85 0.20 -1.23 0.00 0.00 174.94 174.77 1k5q s ASN 178 N -0.47 6.84 0.00 3.58 0.01 0.30 -0.79 114.94 124.42 1k5q s ASN 178 Ca 0.01 1.02 -0.00 0.00 -0.71 0.00 0.00 52.86 53.18 1k5q s ASN 178 Cb -0.04 -2.45 -0.04 0.00 0.41 0.00 0.00 41.25 39.13 1k5q s ASN 178 CO -0.00 -0.55 0.09 0.26 -1.51 0.00 0.00 177.10 175.39 1k5q s TRP 179 N 2.92 3.31 0.04 2.20 0.52 0.55 -2.25 118.94 126.23 1k5q s TRP 179 Ca 0.36 0.22 0.03 0.00 0.02 0.00 0.00 56.10 56.73 1k5q s TRP 179 Cb -0.15 -1.74 -0.02 0.00 -1.15 0.00 0.00 33.47 30.41 1k5q s TRP 179 CO 0.08 0.56 -0.10 0.71 0.02 0.00 0.00 176.95 178.22 1k5q s TYR 180 N -1.23 0.84 0.06 -1.98 1.51 -0.83 -1.12 117.35 114.61 1k5q s TYR 180 Ca 0.24 -0.38 0.06 0.00 -1.01 0.00 0.00 57.07 55.98 1k5q s TYR 180 Cb -0.12 -0.50 -0.03 0.00 -0.11 0.00 0.00 41.96 41.20 1k5q s TYR 180 CO 0.15 -0.02 -0.17 -0.47 -1.11 0.00 0.00 175.55 173.93 1k5q s TYR 181 N -1.00 1.46 0.02 2.71 6.14 0.20 -2.70 117.35 124.17 1k5q s TYR 181 Ca -0.04 -0.40 -0.16 0.00 0.64 0.00 0.00 57.07 57.11 1k5q s TYR 181 Cb -0.08 -0.84 0.03 0.00 0.42 0.00 0.00 41.96 41.49 1k5q s TYR 181 CO 0.01 0.09 0.36 0.00 0.64 0.00 0.00 175.55 176.64 1k5q s ALA 182 N -1.01 -0.86 0.23 3.97 0.00 -0.78 -0.32 121.76 122.98 1k5q s ALA 182 Ca 0.03 0.25 -0.07 0.00 0.00 0.00 0.00 51.96 52.17 1k5q s ALA 182 Cb -0.09 0.24 -0.02 0.00 0.00 0.00 0.00 23.12 23.25 1k5q s ALA 182 CO 0.02 -0.38 0.33 0.16 0.00 0.00 0.00 175.76 175.89 1k5q s ASP 183 N -1.80 0.05 0.60 0.00 1.47 -0.55 0.02 116.67 116.45 1k5q s ASP 183 Ca -0.08 -1.15 0.29 0.00 1.18 0.00 0.00 52.55 52.79 1k5q s ASP 183 Cb -0.02 0.50 1.56 0.00 -0.34 0.00 0.00 42.92 44.62 1k5q s ASP 183 CO -0.00 -1.01 1.97 1.62 0.68 0.00 0.00 175.17 178.43 1k5q h VAL 184 N 2.41 0.37 -0.07 2.11 3.04 -0.93 0.16 116.25 123.33 1k5q h VAL 184 Ca -0.30 0.00 0.00 0.00 -1.01 0.00 0.00 66.70 65.39 1k5q h VAL 184 Cb 1.25 0.70 0.00 0.00 -2.01 0.00 0.00 31.29 31.23 1k5q h VAL 184 CO 0.43 0.00 0.00 0.59 -1.01 0.00 0.00 177.57 177.58 1k5q n ASN 185 N -3.67 1.75 0.00 3.17 3.02 -1.26 -4.36 115.26 113.92 1k5q n ASN 185 Ca 0.05 -1.62 0.00 0.00 -0.03 0.00 0.00 54.58 52.98 1k5q n ASN 185 Cb 0.51 -0.04 0.00 0.00 -0.61 0.00 0.00 39.78 39.64 1k5q n ASN 185 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1k5q n GLY 186 N 1.19 0.75 3.79 7.41 0.00 0.05 -4.92 105.19 113.45 1k5q n GLY 186 Ca 0.18 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.84 1k5q n GLY 186 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1k5q s ASN 187 N -2.13 6.86 0.04 1.61 0.01 -1.25 -2.74 114.94 117.35 1k5q s ASN 187 Ca 0.00 1.90 0.02 0.00 -0.71 0.00 0.00 52.86 54.07 1k5q s ASN 187 Cb 0.00 -2.57 -0.03 0.00 0.41 0.00 0.00 41.25 39.06 1k5q s ASN 187 CO 0.00 -0.41 -0.07 0.27 -1.51 0.00 0.00 177.10 175.38 1k5q s ILE 188 N -1.81 0.46 0.16 0.60 -4.36 -1.26 -1.48 121.20 113.51 1k5q s ILE 188 Ca 0.58 -1.17 -0.17 0.00 -0.26 0.00 0.00 60.65 59.64 1k5q s ILE 188 Cb -0.18 -0.70 0.03 0.00 1.25 0.00 0.00 42.46 42.87 1k5q s ILE 188 CO 0.22 -0.49 0.45 -0.83 0.24 0.00 0.00 174.94 174.54 1k5q s GLY 189 N -1.78 -0.18 -0.07 6.27 0.00 0.56 -0.63 107.32 111.50 1k5q s GLY 189 Ca -0.08 -0.13 -0.05 0.00 0.00 0.00 0.00 44.72 44.46 1k5q s GLY 189 CO -0.01 -0.29 0.17 -0.47 0.00 0.00 0.00 173.10 172.49 1k5q s TYR 190 N -3.84 -0.19 -0.04 1.90 5.04 -0.07 0.59 117.35 120.75 1k5q s TYR 190 Ca 0.06 0.48 -0.01 0.00 -2.44 0.00 0.00 57.07 55.16 1k5q s TYR 190 Cb 0.01 0.03 0.03 0.00 0.35 0.00 0.00 41.96 42.38 1k5q s TYR 190 CO -0.08 -0.12 0.02 0.08 -1.34 0.00 0.00 175.55 174.11 1k5q s VAL 191 N 0.40 0.15 -0.95 3.14 1.01 -0.28 -1.16 120.40 122.72 1k5q s VAL 191 Ca -0.03 0.18 -0.21 0.00 0.00 0.00 0.00 61.98 61.92 1k5q s VAL 191 Cb -0.04 -0.30 0.09 0.00 0.00 0.00 0.00 36.38 36.13 1k5q s VAL 191 CO -0.02 0.18 1.26 -2.28 0.00 0.00 0.00 175.10 174.25 1k5q s HIS 192 N 1.51 2.81 0.86 5.22 2.46 0.35 -0.33 115.29 128.18 1k5q s HIS 192 Ca -0.03 -1.07 -0.13 0.00 0.47 0.00 0.00 55.06 54.30 1k5q s HIS 192 Cb -0.13 -4.48 0.13 0.00 -0.13 0.00 0.00 32.58 27.97 1k5q s HIS 192 CO -0.03 -1.71 1.23 0.95 -2.47 0.00 0.00 174.74 172.71 1k5q s THR 193 N 3.85 2.01 0.00 0.89 -4.23 0.03 -4.21 115.64 113.97 1k5q s THR 193 Ca 0.38 -0.01 0.00 0.00 -1.18 0.00 0.00 61.69 60.88 1k5q s THR 193 Cb -0.03 -3.00 0.00 0.00 1.34 0.00 0.00 72.50 70.81 1k5q s THR 193 CO -0.08 0.00 0.00 0.61 -0.54 0.00 0.00 174.62 174.61 1k5q n GLY 194 N -3.48 3.36 3.66 3.99 0.00 -1.09 -3.01 105.19 108.62 1k5q n GLY 194 Ca 0.11 -1.87 -0.40 0.00 0.00 0.00 0.00 46.02 43.86 1k5q n GLY 194 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1k5q s ALA 195 N -2.37 3.55 -0.05 4.61 0.00 0.51 -4.89 121.76 123.12 1k5q s ALA 195 Ca 0.00 -0.31 0.05 0.00 0.00 0.00 0.00 51.96 51.70 1k5q s ALA 195 Cb 0.00 -2.94 -0.01 0.00 0.00 0.00 0.00 23.12 20.17 1k5q s ALA 195 CO 0.00 -0.55 -0.20 0.71 0.00 0.00 0.00 175.76 175.71 1k5q s TYR 196 N 1.90 1.99 0.38 0.00 2.02 -1.26 -4.52 117.35 117.86 1k5q s TYR 196 Ca 0.28 -0.56 -0.25 0.00 -0.37 0.00 0.00 57.07 56.16 1k5q s TYR 196 Cb -0.16 -1.32 -0.09 0.00 -0.40 0.00 0.00 41.96 40.00 1k5q s TYR 196 CO 0.10 -0.17 1.13 -1.25 -1.57 0.00 0.00 175.55 173.79 1k5q s PRO 197 N -0.09 4.16 -0.74 -1.71 0.04 -1.26 -0.20 135.00 135.19 1k5q s PRO 197 Ca -0.03 1.76 -0.19 0.00 0.04 0.00 0.00 61.00 62.59 1k5q s PRO 197 Cb -0.12 -2.72 0.12 0.00 0.04 0.00 0.00 34.50 31.82 1k5q s PRO 197 CO 0.02 -0.21 0.90 0.34 0.04 0.00 0.00 177.00 178.09 1k5q s ASP 198 N -1.19 6.39 0.40 6.66 2.15 0.67 -4.60 116.67 127.14 1k5q s ASP 198 Ca 0.55 -1.68 -0.15 0.00 0.43 0.00 0.00 52.55 51.70 1k5q s ASP 198 Cb -0.29 -2.35 -0.08 0.00 -0.30 0.00 0.00 42.92 39.90 1k5q s ASP 198 CO 0.36 -1.10 0.83 -0.13 -0.17 0.00 0.00 175.17 174.96 1k5q s ARG 199 N 2.68 3.96 0.54 4.34 0.52 -1.26 -0.46 118.95 129.26 1k5q s ARG 199 Ca 0.21 0.73 -0.21 0.00 -0.52 0.00 0.00 55.73 55.94 1k5q s ARG 199 Cb -0.15 -2.32 -0.05 0.00 0.52 0.00 0.00 34.95 32.95 1k5q s ARG 199 CO 0.00 -0.01 1.24 -0.65 0.02 0.00 0.00 175.30 175.90 1k5q s GLN 200 N -3.49 3.24 0.33 3.54 -1.52 -1.26 -4.85 119.66 115.65 1k5q s GLN 200 Ca 0.55 1.92 -0.29 0.00 -1.95 0.00 0.00 55.36 55.60 1k5q s GLN 200 Cb -0.10 -2.15 -0.12 0.00 -0.22 0.00 0.00 33.01 30.41 1k5q s GLN 200 CO 0.24 -1.01 1.33 0.45 -0.25 0.00 0.00 175.29 176.05 1k5q n SER 201 N -1.12 2.87 0.00 5.90 2.88 -1.26 -1.54 113.62 121.35 1k5q n SER 201 Ca 0.11 1.20 0.00 0.00 -1.33 0.00 0.00 58.87 58.85 1k5q n SER 201 Cb 0.48 -1.49 0.00 0.00 -0.75 0.00 0.00 64.21 62.45 1k5q n SER 201 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1k5q n GLY 202 N 1.02 1.05 3.64 0.46 0.00 -1.26 -5.02 105.19 105.07 1k5q n GLY 202 Ca 0.06 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.65 1k5q n GLY 202 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 173.32 171.74 1k5q s HIS 203 N -2.86 3.21 -0.48 1.61 5.04 -0.59 -5.00 115.29 116.22 1k5q s HIS 203 Ca 0.00 1.15 -0.21 0.00 -1.54 0.00 0.00 55.06 54.46 1k5q s HIS 203 Cb 0.00 -3.45 0.04 0.00 0.04 0.00 0.00 32.58 29.21 1k5q s HIS 203 CO 0.00 -0.63 0.68 0.34 -2.34 0.00 0.00 174.74 172.78 1k5q s ASP 204 N 1.53 6.29 0.00 9.88 -1.08 -1.26 -4.92 116.67 127.11 1k5q s ASP 204 Ca 0.41 -0.55 0.14 0.00 -0.52 0.00 0.00 52.55 52.04 1k5q s ASP 204 Cb -0.13 -2.33 0.86 0.00 -1.46 0.00 0.00 42.92 39.86 1k5q s ASP 204 CO 0.12 -0.88 1.28 -0.81 0.52 0.00 0.00 175.17 175.40 1k5q n PRO 205 N 6.40 0.46 0.00 4.34 -0.04 -1.26 -1.75 135.00 143.15 1k5q n PRO 205 Ca -0.03 0.00 0.11 0.00 -0.04 0.00 0.00 63.50 63.54 1k5q n PRO 205 Cb 0.47 -1.49 0.10 0.00 -0.04 0.00 0.00 33.50 32.54 1k5q n PRO 205 CO 0.00 0.00 0.00 0.54 -0.04 0.00 0.00 175.50 176.00 1k5q n ARG 206 N -0.99 0.11 -4.21 0.54 1.74 -1.26 -4.77 116.66 107.81 1k5q n ARG 206 Ca 0.11 -0.08 -0.17 0.00 -0.77 0.00 0.00 57.85 56.94 1k5q n ARG 206 Cb 0.05 -1.50 -0.11 0.00 -1.02 0.00 0.00 32.46 29.88 1k5q n ARG 206 CO 0.00 0.00 0.00 -0.51 -1.52 0.00 0.00 177.63 175.60 1k5q s LEU 207 N -2.94 2.39 0.83 0.55 1.43 -0.72 -5.02 118.68 115.20 1k5q s LEU 207 Ca 0.11 -0.79 -0.12 0.00 -1.03 0.00 0.00 54.13 52.30 1k5q s LEU 207 Cb 0.17 -0.47 0.10 0.00 0.03 0.00 0.00 46.19 46.02 1k5q s LEU 207 CO 0.75 -0.17 1.18 -2.84 0.23 0.00 0.00 176.35 175.49 1k5q s PRO 208 N -2.61 1.53 0.09 1.29 0.02 -1.26 -4.79 135.00 129.27 1k5q s PRO 208 Ca 0.07 1.65 0.07 0.00 0.02 0.00 0.00 61.00 62.81 1k5q s PRO 208 Cb -0.05 -1.77 -0.03 0.00 0.02 0.00 0.00 34.50 32.67 1k5q s PRO 208 CO 0.02 -2.27 -0.18 0.14 -0.33 0.00 0.00 177.00 174.37 1k5q s VAL 209 N -2.35 1.48 0.39 3.83 -7.23 -0.22 -4.96 120.40 111.35 1k5q s VAL 209 Ca 0.70 -1.45 -0.28 0.00 -1.81 0.00 0.00 61.98 59.15 1k5q s VAL 209 Cb -0.26 -1.37 -0.11 0.00 0.56 0.00 0.00 36.38 35.21 1k5q s VAL 209 CO 0.53 -0.12 1.49 -2.65 -0.31 0.00 0.00 175.10 174.03 1k5q n PRO 210 N 1.16 2.63 -0.27 4.82 -0.02 -1.26 0.69 135.00 142.75 1k5q n PRO 210 Ca -0.20 0.92 0.07 0.00 -2.02 0.00 0.00 63.50 62.28 1k5q n PRO 210 Cb 0.54 -2.68 0.22 0.00 -0.02 0.00 0.00 33.50 31.55 1k5q n PRO 210 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1k5q n GLY 211 N 0.46 1.35 0.00 -1.23 0.00 0.15 -4.36 105.19 101.55 1k5q n GLY 211 Ca 0.02 -0.52 0.08 0.00 0.00 0.00 0.00 46.02 45.59 1k5q n GLY 211 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1k5q n THR 212 N 0.85 0.66 0.00 2.61 -2.24 -1.26 -4.65 114.28 110.26 1k5q n THR 212 Ca 0.16 0.16 0.00 0.00 -2.27 0.00 0.00 64.05 62.11 1k5q n THR 212 Cb 0.44 -0.90 0.00 0.00 -2.10 0.00 0.00 70.33 67.78 1k5q n THR 212 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1k5q n GLY 213 N 0.11 2.53 0.18 3.38 0.00 -1.26 -0.33 105.19 109.79 1k5q n GLY 213 Ca 0.06 -0.78 0.14 0.00 0.00 0.00 0.00 46.02 45.44 1k5q n GLY 213 CO 0.00 0.00 0.00 1.70 0.00 0.00 0.00 173.32 175.02 1k5q h LYS 214 N 0.00 0.00 -0.13 1.61 3.64 -1.89 -2.87 116.57 116.92 1k5q h LYS 214 Ca 0.00 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.38 1k5q h LYS 214 Cb 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 31.82 1k5q h LYS 214 CO 0.00 0.00 0.00 0.91 -2.27 0.00 0.00 179.45 178.09 1k5q n TRP 215 N -2.48 0.16 -1.60 1.91 7.02 -1.26 -5.01 117.44 116.18 1k5q n TRP 215 Ca 0.01 -0.17 -0.39 0.00 -1.02 0.00 0.00 57.50 55.93 1k5q n TRP 215 Cb 0.22 -0.01 0.04 0.00 -2.42 0.00 0.00 31.31 29.14 1k5q n TRP 215 CO 0.00 0.00 0.00 -0.25 -2.02 0.00 0.00 177.69 175.42 1k5q n ASP 216 N 0.62 0.76 -4.75 -0.99 9.92 -1.09 -4.72 116.55 116.31 1k5q n ASP 216 Ca 0.09 0.87 -0.37 0.00 -0.53 0.00 0.00 54.79 54.84 1k5q n ASP 216 Cb 0.34 -1.36 0.04 0.00 -0.64 0.00 0.00 41.12 39.50 1k5q n ASP 216 CO 0.00 0.00 0.00 0.26 0.13 0.00 0.00 177.20 177.59 1k5q s TRP 217 N -1.46 2.31 0.18 1.24 0.51 -1.26 -4.58 118.94 115.87 1k5q s TRP 217 Ca 0.71 1.44 0.14 0.00 -2.12 0.00 0.00 56.10 56.27 1k5q s TRP 217 Cb -0.46 -3.68 0.43 0.00 -0.81 0.00 0.00 33.47 28.95 1k5q s TRP 217 CO 0.51 -2.65 1.62 0.87 -0.51 0.00 0.00 176.95 176.79 1k5q h LYS 218 N 1.18 0.00 0.00 4.98 1.57 -1.09 -3.49 116.57 119.72 1k5q h LYS 218 Ca -0.51 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.27 1k5q h LYS 218 Cb 1.30 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.61 1k5q h LYS 218 CO 0.56 0.54 0.00 0.41 -0.57 0.00 0.00 179.45 180.39 1k5q n GLY 219 N 0.40 -0.32 3.50 3.86 0.00 -1.25 -5.01 105.19 106.38 1k5q n GLY 219 Ca -0.00 -0.82 -0.31 0.00 0.00 0.00 0.00 46.02 44.88 1k5q n GLY 219 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1k5q s LEU 220 N 0.00 2.76 0.67 0.99 1.43 -1.26 -0.24 118.68 123.03 1k5q s LEU 220 Ca 0.00 -0.36 -0.16 0.00 -1.03 0.00 0.00 54.13 52.59 1k5q s LEU 220 Cb 0.00 -1.61 0.01 0.00 0.03 0.00 0.00 46.19 44.62 1k5q s LEU 220 CO 0.00 0.26 1.16 -0.76 0.23 0.00 0.00 176.35 177.23 1k5q s LEU 221 N -1.48 3.41 0.81 1.79 1.43 0.71 -4.72 118.68 120.64 1k5q s LEU 221 Ca 0.16 2.18 -0.12 0.00 -1.03 0.00 0.00 54.13 55.32 1k5q s LEU 221 Cb -0.11 -4.57 0.08 0.00 0.03 0.00 0.00 46.19 41.62 1k5q s LEU 221 CO 0.06 -1.85 1.11 -2.84 0.23 0.00 0.00 176.35 173.06 1k5q s PRO 222 N -3.90 1.96 0.47 1.29 0.02 -1.26 -4.70 135.00 128.87 1k5q s PRO 222 Ca 0.71 0.52 0.17 0.00 0.02 0.00 0.00 61.00 62.42 1k5q s PRO 222 Cb -0.25 -1.91 1.12 0.00 0.02 0.00 0.00 34.50 33.48 1k5q s PRO 222 CO 0.41 -1.68 2.03 0.35 -0.33 0.00 0.00 177.00 177.78 1k5q h PHE 223 N -1.13 0.00 -0.97 6.54 3.57 -1.95 -1.33 116.94 121.67 1k5q h PHE 223 Ca -0.47 0.00 0.16 0.00 3.53 0.00 0.00 57.97 61.19 1k5q h PHE 223 Cb 1.28 0.00 -0.09 0.00 2.79 0.00 0.00 35.95 39.94 1k5q h PHE 223 CO 0.42 0.15 0.61 1.49 -2.23 0.00 0.00 178.31 178.76 1k5q h GLU 224 N 0.00 0.76 0.00 1.11 4.57 -2.03 -0.82 114.58 118.17 1k5q h GLU 224 Ca -0.00 -0.05 -0.09 0.00 -1.18 0.00 0.00 59.36 58.05 1k5q h GLU 224 Cb 0.29 -0.17 -0.01 0.00 -0.16 0.00 0.00 28.75 28.69 1k5q h GLU 224 CO 0.02 0.50 -0.41 0.52 -1.18 0.00 0.00 179.01 178.46 1k5q h MET 225 N 0.78 0.00 -6.55 1.92 2.86 -1.61 -3.45 114.93 108.89 1k5q h MET 225 Ca 0.52 0.00 -0.53 0.00 -2.06 0.00 0.00 59.70 57.62 1k5q h MET 225 Cb 0.78 0.00 0.05 0.00 0.06 0.00 0.00 31.60 32.48 1k5q h MET 225 CO -0.29 0.41 1.06 0.09 1.06 0.00 0.00 176.91 179.24 1k5q n ASN 226 N -3.60 3.95 -4.67 1.22 4.13 -0.31 -4.90 115.26 111.07 1k5q n ASN 226 Ca -0.00 1.02 -0.45 0.00 1.68 0.00 0.00 54.58 56.82 1k5q n ASN 226 Cb 0.52 -1.54 -0.04 0.00 -1.54 0.00 0.00 39.78 37.18 1k5q n ASN 226 CO 0.00 0.00 0.00 -2.65 0.28 0.00 0.00 177.26 174.89 1k5q n PRO 227 N 5.00 2.15 -3.53 3.52 -0.02 -1.26 -4.83 135.00 136.04 1k5q n PRO 227 Ca 0.17 0.77 -0.14 0.00 -2.02 0.00 0.00 63.50 62.28 1k5q n PRO 227 Cb 0.36 -2.51 -0.05 0.00 -0.02 0.00 0.00 33.50 31.28 1k5q n PRO 227 CO 0.00 0.00 0.00 -1.59 1.98 0.00 0.00 175.50 175.89 1k5q s LYS 228 N 0.42 1.09 -0.14 -0.52 -2.85 -1.26 -0.49 119.74 115.99 1k5q s LYS 228 Ca 0.75 -0.17 -0.15 0.00 -1.00 0.00 0.00 55.97 55.40 1k5q s LYS 228 Cb -0.66 0.51 0.04 0.00 -2.06 0.00 0.00 37.83 35.66 1k5q s LYS 228 CO 0.42 -0.40 0.42 0.54 0.10 0.00 0.00 175.35 176.43 1k5q s VAL 229 N -2.43 0.01 -0.12 1.79 0.11 -0.31 -5.00 120.40 114.45 1k5q s VAL 229 Ca -0.05 -0.04 0.01 0.00 -2.93 0.00 0.00 61.98 58.96 1k5q s VAL 229 Cb -0.01 -0.61 0.02 0.00 -1.53 0.00 0.00 36.38 34.25 1k5q s VAL 229 CO -0.01 -0.02 -0.12 -0.47 -3.33 0.00 0.00 175.10 171.14 1k5q s TYR 230 N 0.04 1.88 -1.11 1.54 5.04 -1.26 -0.89 117.35 122.59 1k5q s TYR 230 Ca -0.02 -0.97 -0.15 0.00 -2.44 0.00 0.00 57.07 53.49 1k5q s TYR 230 Cb -0.03 -1.42 -0.03 0.00 0.35 0.00 0.00 41.96 40.83 1k5q s TYR 230 CO 0.01 -0.55 0.84 0.09 -1.34 0.00 0.00 175.55 174.59 1k5q n ASN 231 N 4.62 -5.66 -4.73 4.32 3.02 0.20 -4.94 115.26 112.09 1k5q n ASN 231 Ca -0.17 -0.91 -0.36 0.00 -0.03 0.00 0.00 54.58 53.11 1k5q n ASN 231 Cb 0.50 -4.03 0.06 0.00 -0.61 0.00 0.00 39.78 35.71 1k5q n ASN 231 CO 0.00 0.00 0.00 -2.16 -2.62 0.00 0.00 177.26 172.48 1k5q s PRO 232 N -5.44 2.57 0.48 3.52 0.04 -1.26 -4.89 135.00 130.03 1k5q s PRO 232 Ca 0.46 1.97 0.16 0.00 0.04 0.00 0.00 61.00 63.62 1k5q s PRO 232 Cb -0.13 -1.86 1.16 0.00 0.04 0.00 0.00 34.50 33.71 1k5q s PRO 232 CO 0.82 -1.56 2.06 1.96 0.04 0.00 0.00 177.00 180.33 1k5q h GLN 233 N 0.49 0.20 0.00 4.56 4.20 -1.94 -1.23 115.11 121.38 1k5q h GLN 233 Ca -0.50 -0.01 -0.00 0.00 0.06 0.00 0.00 58.65 58.19 1k5q h GLN 233 Cb 1.32 -0.04 -0.00 0.00 0.30 0.00 0.00 27.48 29.06 1k5q h GLN 233 CO 0.53 0.13 -0.00 0.66 -0.67 0.00 0.00 178.83 179.48 1k5q h SER 234 N 0.20 0.00 0.00 1.46 4.64 -2.03 -3.46 113.55 114.36 1k5q h SER 234 Ca 0.14 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.46 1k5q h SER 234 Cb 0.31 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.40 1k5q h SER 234 CO -0.02 0.00 0.00 0.61 -0.87 0.00 0.00 176.83 176.55 1k5q n GLY 235 N -1.51 0.75 3.43 -0.77 0.00 -0.46 -4.96 105.19 101.67 1k5q n GLY 235 Ca -0.03 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 45.89 1k5q n GLY 235 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 1k5q s TYR 236 N -2.68 -0.19 -0.14 1.61 -0.85 -1.26 -0.82 117.35 113.01 1k5q s TYR 236 Ca 0.00 -0.12 -0.01 0.00 -0.52 0.00 0.00 57.07 56.41 1k5q s TYR 236 Cb 0.00 0.36 0.04 0.00 0.38 0.00 0.00 41.96 42.74 1k5q s TYR 236 CO 0.00 -0.83 -0.01 0.42 -1.52 0.00 0.00 175.55 173.61 1k5q s ILE 237 N -3.83 0.71 -0.02 -3.49 1.01 0.35 -4.87 121.20 111.06 1k5q s ILE 237 Ca 0.06 -0.36 0.05 0.00 0.00 0.00 0.00 60.65 60.40 1k5q s ILE 237 Cb 0.00 -0.97 -0.01 0.00 0.01 0.00 0.00 42.46 41.49 1k5q s ILE 237 CO -0.07 0.08 -0.16 0.00 0.00 0.00 0.00 174.94 174.78 1k5q s ALA 238 N 1.81 1.38 -0.09 9.38 0.00 -1.26 -0.00 121.76 132.97 1k5q s ALA 238 Ca 0.02 -0.71 -0.16 0.00 0.00 0.00 0.00 51.96 51.11 1k5q s ALA 238 Cb -0.15 -0.36 0.04 0.00 0.00 0.00 0.00 23.12 22.65 1k5q s ALA 238 CO -0.07 0.33 0.40 1.21 0.00 0.00 0.00 175.76 177.63 1k5q s ASN 239 N -0.35 -0.37 -0.32 0.00 3.84 -0.27 -5.01 114.94 112.46 1k5q s ASN 239 Ca 0.05 0.55 0.17 0.00 0.21 0.00 0.00 52.86 53.84 1k5q s ASN 239 Cb -0.07 0.62 0.45 0.00 -0.55 0.00 0.00 41.25 41.71 1k5q s ASN 239 CO -0.00 -0.31 1.13 1.87 -2.79 0.00 0.00 177.10 177.00 1k5q n TRP 240 N 2.06 0.14 -1.76 0.43 -0.00 -1.26 -1.37 117.44 115.68 1k5q n TRP 240 Ca -0.17 -2.35 -0.09 0.00 -0.00 0.00 0.00 57.50 54.89 1k5q n TRP 240 Cb 0.57 0.24 -0.02 0.00 -0.00 0.00 0.00 31.31 32.10 1k5q n TRP 240 CO 0.00 0.00 0.00 0.09 -0.00 0.00 0.00 177.69 177.78 1k5q n ASN 241 N -0.45 -3.56 -4.25 5.87 5.03 -1.23 -4.74 115.26 111.93 1k5q n ASN 241 Ca 0.03 0.10 -0.23 0.00 0.87 0.00 0.00 54.58 55.35 1k5q n ASN 241 Cb 0.83 -2.39 0.13 0.00 -1.02 0.00 0.00 39.78 37.32 1k5q n ASN 241 CO 0.00 0.00 0.00 -0.46 -1.83 0.00 0.00 177.26 174.97 1k5q n ASN 242 N 0.40 1.01 -4.75 6.41 6.94 -1.26 -4.98 115.26 119.03 1k5q n ASN 242 Ca -0.10 -1.93 -0.41 0.00 -0.02 0.00 0.00 54.58 52.12 1k5q n ASN 242 Cb 0.45 -0.68 -0.02 0.00 -2.36 0.00 0.00 39.78 37.16 1k5q n ASN 242 CO 0.00 0.00 0.00 -0.55 -1.03 0.00 0.00 177.26 175.68 1k5q s SER 243 N -4.98 6.69 0.29 0.53 0.15 -1.26 -4.93 113.70 110.19 1k5q s SER 243 Ca 0.64 2.66 0.01 0.00 0.70 0.00 0.00 55.95 59.95 1k5q s SER 243 Cb -0.03 -2.63 0.44 0.00 -1.71 0.00 0.00 66.02 62.09 1k5q s SER 243 CO 0.43 -0.66 1.81 -0.65 1.20 0.00 0.00 173.24 175.38 1k5q h PRO 244 N 4.67 0.69 -1.71 5.44 0.11 -1.91 -3.47 132.00 135.82 1k5q h PRO 244 Ca -0.47 -0.17 0.03 0.00 0.11 0.00 0.00 66.00 65.51 1k5q h PRO 244 Cb 1.22 -0.09 -0.23 0.00 0.11 0.00 0.00 31.00 32.01 1k5q h PRO 244 CO 0.75 0.70 0.41 -1.14 -0.21 0.00 0.00 178.00 178.50 1k5q s GLN 245 N -5.01 0.69 0.16 1.05 0.74 -1.26 -4.97 119.66 111.06 1k5q s GLN 245 Ca -0.09 0.37 -0.34 0.00 0.05 0.00 0.00 55.36 55.35 1k5q s GLN 245 Cb 0.15 0.33 -0.15 0.00 1.10 0.00 0.00 33.01 34.44 1k5q s GLN 245 CO 0.79 -0.18 1.32 1.17 -0.55 0.00 0.00 175.29 177.85 1k5q n LYS 246 N 1.34 1.48 -0.92 1.67 4.81 -1.26 -0.85 118.16 124.42 1k5q n LYS 246 Ca -0.13 0.53 0.00 0.00 -0.87 0.00 0.00 58.31 57.84 1k5q n LYS 246 Cb 0.57 -2.14 0.00 0.00 0.02 0.00 0.00 35.03 33.48 1k5q n LYS 246 CO 0.00 0.00 0.00 -0.25 1.17 0.00 0.00 177.40 178.32 1k5q n ASP 247 N 2.38 -1.66 -4.69 3.14 8.00 -1.26 -4.99 116.55 117.47 1k5q n ASP 247 Ca 0.15 0.00 -0.42 0.00 0.71 0.00 0.00 54.79 55.23 1k5q n ASP 247 Cb 0.25 -1.00 -0.03 0.00 -0.02 0.00 0.00 41.12 40.32 1k5q n ASP 247 CO 0.00 0.00 0.00 -0.47 -0.39 0.00 0.00 177.20 176.34 1k5q s TYR 248 N -2.53 3.50 0.31 1.24 5.04 -0.03 -5.01 117.35 119.86 1k5q s TYR 248 Ca 0.00 1.49 -0.27 0.00 -2.44 0.00 0.00 57.07 55.85 1k5q s TYR 248 Cb 0.00 -3.12 -0.10 0.00 0.35 0.00 0.00 41.96 39.09 1k5q s TYR 248 CO 0.00 -0.20 0.95 -1.25 -1.34 0.00 0.00 175.55 173.70 1k5q s PRO 249 N 1.95 4.63 0.68 4.97 0.04 -1.26 -4.87 135.00 141.14 1k5q s PRO 249 Ca 0.45 1.36 -0.03 0.00 0.04 0.00 0.00 61.00 62.82 1k5q s PRO 249 Cb -0.18 -2.89 0.08 0.00 0.04 0.00 0.00 34.50 31.56 1k5q s PRO 249 CO 0.17 0.32 0.96 0.00 0.04 0.00 0.00 177.00 178.49 1k5q s ALA 250 N -1.53 3.49 0.46 8.56 0.00 -1.26 -4.21 121.76 127.27 1k5q s ALA 250 Ca 0.48 -1.32 -0.21 0.00 0.00 0.00 0.00 51.96 50.91 1k5q s ALA 250 Cb -0.20 -2.27 -0.11 0.00 0.00 0.00 0.00 23.12 20.54 1k5q s ALA 250 CO 0.25 -1.27 0.56 0.45 0.00 0.00 0.00 175.76 175.75 1k5q n SER 251 N -2.78 -0.83 0.00 0.00 2.88 -0.41 -4.13 113.62 108.36 1k5q n SER 251 Ca 0.11 0.87 0.13 0.00 -1.33 0.00 0.00 58.87 58.64 1k5q n SER 251 Cb 0.60 -1.14 0.71 0.00 -0.75 0.00 0.00 64.21 63.63 1k5q n SER 251 CO 0.00 0.00 0.00 -0.90 -1.23 0.00 0.00 175.04 172.91 1k5q n ASP 252 N 1.05 0.00 -4.66 -3.46 5.68 -1.26 -4.88 116.55 109.02 1k5q n ASP 252 Ca 0.11 -0.43 -0.48 0.00 -0.50 0.00 0.00 54.79 53.49 1k5q n ASP 252 Cb 0.42 -0.15 -0.05 0.00 -1.14 0.00 0.00 41.12 40.20 1k5q n ASP 252 CO 0.00 0.00 0.00 0.18 -1.33 0.00 0.00 177.20 176.05 1k5q n LEU 253 N -1.15 2.85 0.21 -2.12 4.77 -1.26 -4.85 117.00 115.45 1k5q n LEU 253 Ca 0.16 1.07 0.06 0.00 -0.03 0.00 0.00 56.01 57.27 1k5q n LEU 253 Cb 0.15 -1.37 0.55 0.00 -2.33 0.00 0.00 43.42 40.42 1k5q n LEU 253 CO 0.17 -0.40 1.00 2.19 -1.33 0.00 0.00 177.39 179.03 1k5q h PHE 254 N 6.16 0.08 -0.13 -1.77 -5.15 -1.99 -1.28 116.94 112.86 1k5q h PHE 254 Ca -0.46 -0.00 0.00 0.00 -0.20 0.00 0.00 57.97 57.31 1k5q h PHE 254 Cb 1.27 -0.02 0.00 0.00 0.22 0.00 0.00 35.95 37.42 1k5q h PHE 254 CO 0.66 0.13 0.00 0.00 -2.00 0.00 0.00 178.31 177.10 1k5q n ALA 255 N -2.52 2.53 -3.70 12.09 0.00 -1.26 -4.82 120.51 122.84 1k5q n ALA 255 Ca -0.02 -0.36 -0.32 0.00 0.00 0.00 0.00 53.44 52.74 1k5q n ALA 255 Cb 0.16 -1.12 -0.17 0.00 0.00 0.00 0.00 19.45 18.32 1k5q n ALA 255 CO 0.00 0.00 0.00 0.12 0.00 0.00 0.00 177.50 177.62 1k5q s PHE 256 N -1.83 2.52 0.02 0.00 2.19 -0.49 -4.50 117.98 115.90 1k5q s PHE 256 Ca 0.26 -1.28 0.00 0.00 0.33 0.00 0.00 56.93 56.25 1k5q s PHE 256 Cb 0.13 -1.74 -0.02 0.00 -1.31 0.00 0.00 43.02 40.09 1k5q s PHE 256 CO 0.20 -0.60 -0.04 -0.51 1.83 0.00 0.00 175.22 176.11 1k5q s LEU 257 N 0.89 2.24 -0.34 6.12 1.43 -1.26 -4.74 118.68 123.02 1k5q s LEU 257 Ca -0.06 -0.51 -0.00 0.00 -1.03 0.00 0.00 54.13 52.53 1k5q s LEU 257 Cb -0.15 0.04 0.08 0.00 0.03 0.00 0.00 46.19 46.19 1k5q s LEU 257 CO -0.03 -0.27 0.07 0.26 0.23 0.00 0.00 176.35 176.61 1k5q s TRP 258 N -1.42 3.51 0.00 0.29 0.51 -1.26 -5.01 118.94 115.56 1k5q s TRP 258 Ca -0.14 -2.40 0.00 0.00 -2.12 0.00 0.00 56.10 51.44 1k5q s TRP 258 Cb -0.10 -2.69 0.00 0.00 -0.81 0.00 0.00 33.47 29.88 1k5q s TRP 258 CO -0.01 -0.91 0.00 0.41 -0.51 0.00 0.00 176.95 175.94 1k5q n GLY 259 N 4.50 4.35 0.37 0.98 0.00 -1.26 -5.02 105.19 109.12 1k5q n GLY 259 Ca -0.05 -1.73 0.14 0.00 0.00 0.00 0.00 46.02 44.38 1k5q n GLY 259 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 1k5q h GLY 260 N 0.00 1.39 -7.09 -0.02 0.00 -1.98 -3.36 103.07 92.01 1k5q h GLY 260 Ca 0.00 -0.30 -0.64 0.00 0.00 0.00 0.00 47.33 46.38 1k5q h GLY 260 CO 0.00 0.01 0.23 0.00 0.00 0.00 0.00 176.54 176.77 1k5q s ALA 261 N -5.70 3.33 -0.09 3.60 0.00 -1.26 -5.01 121.76 116.63 1k5q s ALA 261 Ca -0.10 -1.09 -0.06 0.00 0.00 0.00 0.00 51.96 50.71 1k5q s ALA 261 Cb 0.23 -3.36 0.03 0.00 0.00 0.00 0.00 23.12 20.02 1k5q s ALA 261 CO 0.80 -1.81 0.22 0.34 0.00 0.00 0.00 175.76 175.31 1k5q s ASP 262 N 2.04 -0.23 0.59 0.00 -1.08 -1.26 -4.93 116.67 111.80 1k5q s ASP 262 Ca 0.26 0.45 0.36 0.00 -0.52 0.00 0.00 52.55 53.10 1k5q s ASP 262 Cb -0.13 0.40 1.81 0.00 -1.46 0.00 0.00 42.92 43.54 1k5q s ASP 262 CO 0.20 -0.11 2.16 0.08 0.52 0.00 0.00 175.17 178.02 1k5q h ARG 263 N 6.43 0.00 0.00 4.34 0.11 -1.92 -2.62 114.38 120.73 1k5q h ARG 263 Ca -0.32 0.00 -0.00 0.00 0.10 0.00 0.00 59.98 59.75 1k5q h ARG 263 Cb 1.18 0.00 -0.00 0.00 1.11 0.00 0.00 29.97 32.26 1k5q h ARG 263 CO 0.38 0.03 -0.02 -0.24 0.10 0.00 0.00 179.97 180.23 1k5q h VAL 264 N 0.00 0.10 -0.10 0.08 3.04 -1.95 -0.74 116.25 116.67 1k5q h VAL 264 Ca -0.00 -0.22 -0.02 0.00 -1.01 0.00 0.00 66.70 65.45 1k5q h VAL 264 Cb 0.26 1.20 -0.01 0.00 -2.01 0.00 0.00 31.29 30.73 1k5q h VAL 264 CO 0.00 0.02 -0.05 0.74 -1.01 0.00 0.00 177.57 177.27 1k5q h THR 265 N 0.00 1.10 -0.42 3.17 2.02 -1.89 0.91 112.91 117.80 1k5q h THR 265 Ca -0.00 -0.42 0.07 0.00 0.77 0.00 0.00 66.41 66.83 1k5q h THR 265 Cb 0.19 1.08 -0.02 0.00 -1.74 0.00 0.00 68.15 67.66 1k5q h THR 265 CO 0.00 0.13 0.29 -0.33 0.37 0.00 0.00 175.52 175.98 1k5q h GLU 266 N 0.14 0.29 0.06 6.66 4.39 -1.35 -0.39 114.58 124.38 1k5q h GLU 266 Ca 0.03 -0.02 -0.16 0.00 0.34 0.00 0.00 59.36 59.56 1k5q h GLU 266 Cb 0.19 -0.07 -0.00 0.00 -0.10 0.00 0.00 28.75 28.77 1k5q h GLU 266 CO 0.01 0.19 -0.80 0.82 -1.16 0.00 0.00 179.01 178.07 1k5q h ILE 267 N 0.30 1.35 -0.59 3.13 2.04 -0.99 -3.25 117.51 119.49 1k5q h ILE 267 Ca 0.19 -2.36 0.12 0.00 1.00 0.00 0.00 64.86 63.81 1k5q h ILE 267 Cb 0.37 2.92 -0.10 0.00 -0.74 0.00 0.00 36.82 39.27 1k5q h ILE 267 CO -0.04 0.59 -0.05 0.44 0.00 0.00 0.00 178.15 179.09 1k5q h ASP 268 N -0.70 -0.36 -0.26 1.72 3.32 -1.02 -1.65 116.42 117.47 1k5q h ASP 268 Ca -0.18 0.16 0.06 0.00 0.02 0.00 0.00 57.03 57.09 1k5q h ASP 268 Cb 1.39 0.30 -0.08 0.00 0.22 0.00 0.00 39.33 41.16 1k5q h ASP 268 CO -0.00 -0.14 -0.30 -0.09 -1.72 0.00 0.00 179.24 176.99 1k5q h ARG 269 N 0.07 -0.29 -0.08 3.56 2.43 -1.19 0.07 114.38 118.95 1k5q h ARG 269 Ca 0.30 0.02 -0.06 0.00 -0.81 0.00 0.00 59.98 59.43 1k5q h ARG 269 Cb 0.48 0.07 -0.01 0.00 -0.42 0.00 0.00 29.97 30.08 1k5q h ARG 269 CO -0.54 -0.19 -0.22 -0.07 -1.51 0.00 0.00 179.97 177.44 1k5q h LEU 270 N -0.30 0.13 -0.21 3.80 3.38 -1.36 -0.33 115.31 120.42 1k5q h LEU 270 Ca 0.14 -0.03 -0.19 0.00 0.09 0.00 0.00 57.88 57.89 1k5q h LEU 270 Cb 0.52 -0.04 -0.03 0.00 0.09 0.00 0.00 40.66 41.20 1k5q h LEU 270 CO -0.43 0.37 -0.89 -0.07 0.09 0.00 0.00 178.44 177.50 1k5q h LEU 271 N 0.13 0.00 0.00 1.67 3.38 -0.53 -3.22 115.31 116.74 1k5q h LEU 271 Ca 0.02 -0.00 -0.09 0.00 0.09 0.00 0.00 57.88 57.90 1k5q h LEU 271 Cb 0.47 -0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.20 1k5q h LEU 271 CO 0.03 0.89 -0.86 -0.33 0.09 0.00 0.00 178.44 178.26 1k5q h GLU 272 N 0.00 0.00 -0.84 1.13 5.08 -0.72 -3.33 114.58 115.90 1k5q h GLU 272 Ca -0.01 0.00 0.08 0.00 -1.00 0.00 0.00 59.36 58.43 1k5q h GLU 272 Cb 1.58 0.00 -0.07 0.00 0.50 0.00 0.00 28.75 30.76 1k5q h GLU 272 CO 0.12 0.25 0.50 0.37 -1.00 0.00 0.00 179.01 179.25 1k5q h GLN 273 N 0.00 0.85 -5.34 2.33 4.15 -1.07 -3.39 115.11 112.64 1k5q h GLN 273 Ca -0.06 -0.05 -0.64 0.00 0.77 0.00 0.00 58.65 58.67 1k5q h GLN 273 Cb 1.32 -0.19 -0.23 0.00 0.21 0.00 0.00 27.48 28.59 1k5q h GLN 273 CO 0.04 0.56 -0.70 0.15 -1.93 0.00 0.00 178.83 176.95 1k5q s LYS 274 N -6.05 3.55 0.17 1.69 1.02 -1.25 -5.02 119.74 113.87 1k5q s LYS 274 Ca -0.12 -0.57 -0.17 0.00 0.02 0.00 0.00 55.97 55.12 1k5q s LYS 274 Cb 0.19 -2.82 0.12 0.00 -0.52 0.00 0.00 37.83 34.80 1k5q s LYS 274 CO 0.79 0.25 1.65 -1.35 -0.92 0.00 0.00 175.35 175.76 1k5q h PRO 275 N 6.64 -0.06 -5.64 -1.68 0.11 -1.84 -3.43 132.00 126.11 1k5q h PRO 275 Ca -0.30 0.00 -0.46 0.00 0.11 0.00 0.00 66.00 65.35 1k5q h PRO 275 Cb 1.20 0.01 -0.20 0.00 0.11 0.00 0.00 31.00 32.12 1k5q h PRO 275 CO 0.60 -0.04 -0.78 1.03 -0.21 0.00 0.00 178.00 178.60 1k5q s ARG 276 N -6.18 1.03 0.06 1.05 0.52 -1.26 -4.58 118.95 109.58 1k5q s ARG 276 Ca -0.14 -1.18 0.07 0.00 -0.52 0.00 0.00 55.73 53.97 1k5q s ARG 276 Cb 0.15 -1.05 -0.03 0.00 0.52 0.00 0.00 34.95 34.54 1k5q s ARG 276 CO 0.71 0.22 -0.20 -0.51 0.02 0.00 0.00 175.30 175.54 1k5q s LEU 277 N -2.19 2.21 0.00 2.53 1.02 -0.26 -4.84 118.68 117.15 1k5q s LEU 277 Ca 0.07 -0.57 -0.01 0.00 0.02 0.00 0.00 54.13 53.63 1k5q s LEU 277 Cb -0.07 -0.91 0.13 0.00 0.02 0.00 0.00 46.19 45.36 1k5q s LEU 277 CO 0.04 0.11 0.87 0.35 0.02 0.00 0.00 176.35 177.74 1k5q n THR 278 N 1.58 0.00 -0.10 5.49 -2.24 -1.26 0.10 114.28 117.85 1k5q n THR 278 Ca -0.18 -1.33 -0.11 0.00 -2.27 0.00 0.00 64.05 60.16 1k5q n THR 278 Cb 0.53 -0.98 -0.03 0.00 -2.10 0.00 0.00 70.33 67.75 1k5q n THR 278 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1k5q h ALA 279 N -0.63 0.39 -0.62 6.98 0.00 -1.94 -0.41 119.26 123.03 1k5q h ALA 279 Ca -0.29 -0.20 0.00 0.00 0.00 0.00 0.00 54.91 54.43 1k5q h ALA 279 Cb 1.05 -0.11 -0.03 0.00 0.00 0.00 0.00 17.79 18.70 1k5q h ALA 279 CO 0.30 0.09 0.39 -0.44 0.00 0.00 0.00 179.25 179.58 1k5q h ASP 280 N 0.30 0.73 -0.54 0.00 3.32 -1.96 0.26 116.42 118.52 1k5q h ASP 280 Ca 0.09 -0.04 -0.05 0.00 0.02 0.00 0.00 57.03 57.04 1k5q h ASP 280 Cb 0.35 -0.18 -0.02 0.00 0.22 0.00 0.00 39.33 39.70 1k5q h ASP 280 CO 0.01 0.56 0.14 1.56 -1.72 0.00 0.00 179.24 179.78 1k5q h GLN 281 N 0.83 0.87 -0.78 3.56 4.20 -1.90 -0.26 115.11 121.62 1k5q h GLN 281 Ca 0.22 -0.21 -0.04 0.00 0.06 0.00 0.00 58.65 58.69 1k5q h GLN 281 Cb -0.05 -0.12 -0.04 0.00 0.30 0.00 0.00 27.48 27.58 1k5q h GLN 281 CO -0.04 0.81 0.34 0.00 -0.67 0.00 0.00 178.83 179.27 1k5q h ALA 282 N 1.02 1.02 -0.43 3.87 0.00 -0.47 -1.97 119.26 122.29 1k5q h ALA 282 Ca 0.17 -0.18 -0.07 0.00 0.00 0.00 0.00 54.91 54.83 1k5q h ALA 282 Cb 0.33 -0.31 -0.02 0.00 0.00 0.00 0.00 17.79 17.80 1k5q h ALA 282 CO 0.00 0.62 -0.04 2.35 0.00 0.00 0.00 179.25 182.18 1k5q h TRP 283 N 1.13 0.76 -0.05 0.00 2.91 -0.28 -2.69 115.95 117.72 1k5q h TRP 283 Ca 0.26 -0.11 0.01 0.00 1.13 0.00 0.00 58.89 60.18 1k5q h TRP 283 Cb 0.18 -0.21 -0.00 0.00 -0.51 0.00 0.00 29.16 28.62 1k5q h TRP 283 CO 0.02 0.74 0.04 -0.44 -1.03 0.00 0.00 178.44 177.76 1k5q h ASP 284 N 0.66 0.03 -0.25 2.65 3.45 -0.26 -1.60 116.42 121.10 1k5q h ASP 284 Ca 0.13 -0.00 0.07 0.00 0.43 0.00 0.00 57.03 57.66 1k5q h ASP 284 Cb 0.47 -0.01 -0.01 0.00 -0.56 0.00 0.00 39.33 39.22 1k5q h ASP 284 CO 0.02 0.02 0.26 0.58 -1.57 0.00 0.00 179.24 178.55 1k5q h VAL 285 N 0.03 0.47 0.78 -1.35 2.07 -1.26 -0.09 116.25 116.91 1k5q h VAL 285 Ca 0.02 0.00 -0.04 0.00 0.82 0.00 0.00 66.70 67.51 1k5q h VAL 285 Cb 0.06 0.79 0.01 0.00 -1.52 0.00 0.00 31.29 30.63 1k5q h VAL 285 CO -0.00 0.00 -0.38 0.40 0.02 0.00 0.00 177.57 177.61 1k5q h ILE 286 N 0.00 0.17 -0.45 4.57 2.04 -1.46 -0.68 117.51 121.71 1k5q h ILE 286 Ca 0.12 -0.11 0.09 0.00 1.00 0.00 0.00 64.86 65.96 1k5q h ILE 286 Cb 0.64 0.19 -0.10 0.00 -0.74 0.00 0.00 36.82 36.82 1k5q h ILE 286 CO -0.00 0.01 -0.29 -0.09 0.00 0.00 0.00 178.15 177.78 1k5q h ARG 287 N -1.14 -0.19 -0.05 2.37 2.43 -1.18 0.13 114.38 116.76 1k5q h ARG 287 Ca -0.11 0.01 -0.00 0.00 -0.81 0.00 0.00 59.98 59.08 1k5q h ARG 287 Cb 0.82 0.04 -0.00 0.00 -0.42 0.00 0.00 29.97 30.41 1k5q h ARG 287 CO 0.18 -0.12 0.03 1.96 -1.51 0.00 0.00 179.97 180.50 1k5q h GLN 288 N -0.19 0.07 -0.10 0.20 1.08 -1.33 -2.77 115.11 112.07 1k5q h GLN 288 Ca 0.20 -0.01 -0.07 0.00 -1.45 0.00 0.00 58.65 57.32 1k5q h GLN 288 Cb 0.51 -0.01 -0.01 0.00 -0.05 0.00 0.00 27.48 27.92 1k5q h GLN 288 CO -0.56 0.09 -0.25 1.79 -0.95 0.00 0.00 178.83 178.95 1k5q h THR 289 N 0.02 1.23 0.00 -0.54 1.35 -0.60 -1.72 112.91 112.65 1k5q h THR 289 Ca 0.02 -1.06 -0.02 0.00 -0.55 0.00 0.00 66.41 64.80 1k5q h THR 289 Cb 0.04 1.43 -0.00 0.00 -1.73 0.00 0.00 68.15 67.89 1k5q h THR 289 CO -0.00 0.32 -0.12 0.77 -0.25 0.00 0.00 175.52 176.24 1k5q h SER 290 N 0.16 0.00 -0.01 5.36 4.64 -0.50 -2.98 113.55 120.22 1k5q h SER 290 Ca 0.03 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.35 1k5q h SER 290 Cb 0.54 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.63 1k5q h SER 290 CO 0.04 0.12 -0.35 0.54 -0.87 0.00 0.00 176.83 176.31 1k5q n ARG 291 N -3.32 1.73 -2.46 4.77 1.74 -0.98 -0.87 116.66 117.28 1k5q n ARG 291 Ca -0.00 -0.74 -0.43 0.00 -0.77 0.00 0.00 57.85 55.91 1k5q n ARG 291 Cb 0.33 -1.25 -0.02 0.00 -1.02 0.00 0.00 32.46 30.50 1k5q n ARG 291 CO 0.00 0.00 0.00 -1.14 -1.52 0.00 0.00 177.63 174.97 1k5q s GLN 292 N -1.89 4.09 0.17 5.56 2.00 -0.69 -1.01 119.66 127.90 1k5q s GLN 292 Ca 0.12 1.42 -0.32 0.00 -2.00 0.00 0.00 55.36 54.59 1k5q s GLN 292 Cb 0.12 -3.80 -0.10 0.00 0.80 0.00 0.00 33.01 30.03 1k5q s GLN 292 CO 0.41 -0.89 1.60 0.34 -0.50 0.00 0.00 175.29 176.25 1k5q s ASP 293 N 2.22 6.54 0.01 6.67 -1.08 0.53 -4.89 116.67 126.67 1k5q s ASP 293 Ca 0.54 2.67 0.25 0.00 -0.52 0.00 0.00 52.55 55.49 1k5q s ASP 293 Cb -0.18 -2.60 0.57 0.00 -1.46 0.00 0.00 42.92 39.26 1k5q s ASP 293 CO 0.17 -0.85 1.46 0.18 0.52 0.00 0.00 175.17 176.65 1k5q n LEU 294 N 3.96 0.46 -0.02 -1.34 4.77 -1.26 -4.13 117.00 119.44 1k5q n LEU 294 Ca 0.14 0.08 0.07 0.00 -0.03 0.00 0.00 56.01 56.27 1k5q n LEU 294 Cb 0.38 -0.27 -0.16 0.00 -2.33 0.00 0.00 43.42 41.04 1k5q n LEU 294 CO 0.62 0.10 -0.79 0.59 -1.33 0.00 0.00 177.39 176.58 1k5q n ASN 295 N -1.55 0.05 0.08 -1.43 3.02 -1.26 -4.50 115.26 109.67 1k5q n ASN 295 Ca 0.05 0.02 -0.12 0.00 -0.03 0.00 0.00 54.58 54.51 1k5q n ASN 295 Cb 0.34 1.74 -0.05 0.00 -0.61 0.00 0.00 39.78 41.21 1k5q n ASN 295 CO 0.00 0.00 0.00 0.25 -2.62 0.00 0.00 177.26 174.89 1k5q h LEU 296 N 0.00 -0.71 -1.75 3.41 5.85 -1.98 -2.04 115.31 118.09 1k5q h LEU 296 Ca -0.09 0.09 0.03 0.00 0.84 0.00 0.00 57.88 58.75 1k5q h LEU 296 Cb 1.22 0.28 -0.02 0.00 0.37 0.00 0.00 40.66 42.51 1k5q h LEU 296 CO 0.01 -0.32 0.22 -0.09 -0.34 0.00 0.00 178.44 177.91 1k5q h ARG 297 N -0.41 0.33 -0.08 1.25 2.43 -1.82 -0.43 114.38 115.65 1k5q h ARG 297 Ca 0.05 -0.02 -0.11 0.00 -0.81 0.00 0.00 59.98 59.09 1k5q h ARG 297 Cb 0.47 -0.07 0.00 0.00 -0.42 0.00 0.00 29.97 29.95 1k5q h ARG 297 CO -0.19 0.22 -0.37 -0.07 -1.51 0.00 0.00 179.97 178.04 1k5q h LEU 298 N 0.34 0.47 -0.39 3.80 3.38 -1.64 -3.38 115.31 117.88 1k5q h LEU 298 Ca 0.13 -0.65 0.00 0.00 0.09 0.00 0.00 57.88 57.46 1k5q h LEU 298 Cb 0.11 -0.14 0.00 0.00 0.09 0.00 0.00 40.66 40.72 1k5q h LEU 298 CO -0.03 1.03 -0.49 0.49 0.09 0.00 0.00 178.44 179.53 1k5q n PHE 299 N -4.37 0.00 -0.10 1.13 3.72 -0.82 -4.63 117.46 112.38 1k5q n PHE 299 Ca -0.08 0.00 -0.06 0.00 -0.05 0.00 0.00 57.45 57.26 1k5q n PHE 299 Cb 0.53 0.00 0.02 0.00 -0.94 0.00 0.00 39.48 39.09 1k5q n PHE 299 CO 0.00 0.00 0.00 1.25 -0.05 0.00 0.00 176.76 177.96 1k5q h LEU 300 N 0.74 0.09 -1.24 4.37 5.85 -1.26 -0.31 115.31 123.55 1k5q h LEU 300 Ca 0.00 0.05 0.09 0.00 0.84 0.00 0.00 57.88 58.86 1k5q h LEU 300 Cb 0.41 0.05 -0.06 0.00 0.37 0.00 0.00 40.66 41.42 1k5q h LEU 300 CO 0.00 0.09 0.55 -0.65 -0.34 0.00 0.00 178.44 178.09 1k5q h PRO 301 N 0.24 0.83 -0.37 5.25 0.11 -1.83 0.37 132.00 136.60 1k5q h PRO 301 Ca 0.17 -0.05 -0.09 0.00 0.11 0.00 0.00 66.00 66.13 1k5q h PRO 301 Cb 0.16 -0.19 -0.01 0.00 0.11 0.00 0.00 31.00 31.07 1k5q h PRO 301 CO -0.19 0.55 -0.13 1.15 -0.21 0.00 0.00 178.00 179.17 1k5q h THR 302 N 0.86 1.28 -0.42 -1.15 2.02 -1.60 0.39 112.91 114.29 1k5q h THR 302 Ca 0.39 -1.24 -0.03 0.00 0.77 0.00 0.00 66.41 66.30 1k5q h THR 302 Cb 0.37 1.30 -0.02 0.00 -1.74 0.00 0.00 68.15 68.06 1k5q h THR 302 CO -0.16 0.41 0.14 -0.07 0.37 0.00 0.00 175.52 176.21 1k5q h LEU 303 N 0.54 0.55 -0.05 2.58 3.38 -0.03 -1.45 115.31 120.83 1k5q h LEU 303 Ca 0.09 -0.07 -0.08 0.00 0.09 0.00 0.00 57.88 57.91 1k5q h LEU 303 Cb 0.66 -0.14 0.00 0.00 0.09 0.00 0.00 40.66 41.28 1k5q h LEU 303 CO 0.05 0.52 -0.29 1.56 0.09 0.00 0.00 178.44 180.37 1k5q h GLN 304 N 0.60 0.29 -0.95 1.13 4.20 0.12 -2.78 115.11 117.71 1k5q h GLN 304 Ca 0.14 -0.24 0.03 0.00 0.06 0.00 0.00 58.65 58.64 1k5q h GLN 304 Cb 0.17 0.05 -0.05 0.00 0.30 0.00 0.00 27.48 27.95 1k5q h GLN 304 CO -0.01 0.90 0.62 0.00 -0.67 0.00 0.00 178.83 179.67 1k5q h ALA 305 N 0.39 1.25 0.00 3.87 0.00 -0.77 -0.51 119.26 123.49 1k5q h ALA 305 Ca -0.02 -0.05 -0.08 0.00 0.00 0.00 0.00 54.91 54.76 1k5q h ALA 305 Cb 0.96 -0.35 -0.01 0.00 0.00 0.00 0.00 17.79 18.38 1k5q h ALA 305 CO 0.06 0.53 -0.38 0.00 0.00 0.00 0.00 179.25 179.46 1k5q h ALA 306 N 1.38 1.08 -0.28 0.00 0.00 -1.27 -3.20 119.26 116.97 1k5q h ALA 306 Ca 0.37 -0.35 0.00 0.00 0.00 0.00 0.00 54.91 54.93 1k5q h ALA 306 Cb -0.04 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 17.69 1k5q h ALA 306 CO -0.11 0.48 0.00 0.25 0.00 0.00 0.00 179.25 179.87 1k5q n THR 307 N -3.67 0.70 0.23 0.00 -2.24 -0.91 -4.61 114.28 103.79 1k5q n THR 307 Ca -0.01 -0.85 0.08 0.00 -2.27 0.00 0.00 64.05 61.00 1k5q n THR 307 Cb 0.48 0.72 0.57 0.00 -2.10 0.00 0.00 70.33 70.00 1k5q n THR 307 CO 0.00 0.00 0.00 0.77 -0.57 0.00 0.00 175.07 175.27 1k5q h SER 308 N 2.32 0.00 -0.57 3.42 4.64 -1.10 -2.93 113.55 119.32 1k5q h SER 308 Ca 0.00 0.00 -0.14 0.00 -0.47 0.00 0.00 61.79 61.18 1k5q h SER 308 Cb 0.69 0.00 -0.08 0.00 -0.31 0.00 0.00 62.40 62.69 1k5q h SER 308 CO 0.00 0.20 0.14 0.61 -0.87 0.00 0.00 176.83 176.91 1k5q n GLY 309 N -0.69 3.82 3.92 -0.77 0.00 -1.26 -4.99 105.19 105.23 1k5q n GLY 309 Ca -0.02 -1.03 -0.23 0.00 0.00 0.00 0.00 46.02 44.74 1k5q n GLY 309 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1k5q s LEU 310 N -2.97 4.19 0.52 0.99 1.43 -1.11 -5.11 118.68 116.62 1k5q s LEU 310 Ca 0.51 0.02 -0.17 0.00 -1.03 0.00 0.00 54.13 53.46 1k5q s LEU 310 Cb 0.41 -2.74 -0.08 0.00 0.03 0.00 0.00 46.19 43.82 1k5q s LEU 310 CO 0.11 -0.02 0.99 0.42 0.23 0.00 0.00 176.35 178.08 1k5q s THR 311 N -1.93 4.47 0.31 5.49 -4.23 -1.26 -4.94 115.64 113.54 1k5q s THR 311 Ca 0.34 1.20 0.07 0.00 -1.18 0.00 0.00 61.69 62.11 1k5q s THR 311 Cb -0.09 -3.69 0.30 0.00 1.34 0.00 0.00 72.50 70.36 1k5q s THR 311 CO 0.28 -0.66 1.69 -0.61 -0.54 0.00 0.00 174.62 174.77 1k5q h GLN 312 N 0.92 0.39 0.00 3.99 4.15 -1.99 0.29 115.11 122.86 1k5q h GLN 312 Ca -0.47 -0.02 0.00 0.00 0.77 0.00 0.00 58.65 58.93 1k5q h GLN 312 Cb 1.19 -0.09 0.00 0.00 0.21 0.00 0.00 27.48 28.79 1k5q h GLN 312 CO 0.61 0.26 0.00 -1.13 -1.93 0.00 0.00 178.83 176.64 1k5q n SER 313 N -5.03 0.00 -4.66 -0.69 3.41 -1.26 -4.57 113.62 100.81 1k5q n SER 313 Ca 0.25 0.21 -0.43 0.00 -0.26 0.00 0.00 58.87 58.64 1k5q n SER 313 Cb 0.74 -0.36 -0.02 0.00 -0.26 0.00 0.00 64.21 64.30 1k5q n SER 313 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 1k5q s ASP 314 N -2.73 6.91 0.30 4.04 -1.08 0.09 -4.91 116.67 119.30 1k5q s ASP 314 Ca 0.13 1.79 -0.00 0.00 -0.52 0.00 0.00 52.55 53.95 1k5q s ASP 314 Cb 0.11 -2.54 0.51 0.00 -1.46 0.00 0.00 42.92 39.54 1k5q s ASP 314 CO 0.28 -0.76 1.94 1.55 0.52 0.00 0.00 175.17 178.69 1k5q h PRO 315 N 8.29 1.02 -0.90 4.34 0.13 -1.89 -0.59 132.00 142.41 1k5q h PRO 315 Ca -0.29 -0.06 0.05 0.00 -0.87 0.00 0.00 66.00 64.82 1k5q h PRO 315 Cb 1.12 -0.23 -0.06 0.00 0.13 0.00 0.00 31.00 31.96 1k5q h PRO 315 CO 0.96 0.68 0.57 0.00 -0.23 0.00 0.00 178.00 179.97 1k5q h ARG 316 N 1.05 1.04 0.11 0.86 3.08 -1.91 -0.81 114.38 117.81 1k5q h ARG 316 Ca 0.35 -0.06 0.00 0.00 0.07 0.00 0.00 59.98 60.34 1k5q h ARG 316 Cb 0.08 -0.24 -0.01 0.00 0.08 0.00 0.00 29.97 29.88 1k5q h ARG 316 CO -0.11 0.69 -0.09 -0.09 -1.07 0.00 0.00 179.97 179.30 1k5q h ARG 317 N 1.08 -0.21 0.00 0.04 9.65 -1.46 -2.61 114.38 120.87 1k5q h ARG 317 Ca 0.37 0.01 -0.04 0.00 -1.10 0.00 0.00 59.98 59.22 1k5q h ARG 317 Cb 0.09 0.05 -0.01 0.00 -1.39 0.00 0.00 29.97 28.71 1k5q h ARG 317 CO -0.15 -0.14 -0.21 -0.56 2.80 0.00 0.00 179.97 181.71 1k5q h GLN 318 N -0.22 0.00 -0.21 0.20 3.07 -0.70 -1.46 115.11 115.78 1k5q h GLN 318 Ca -0.00 0.00 -0.00 0.00 0.09 0.00 0.00 58.65 58.74 1k5q h GLN 318 Cb 0.20 0.00 -0.01 0.00 0.08 0.00 0.00 27.48 27.75 1k5q h GLN 318 CO -0.01 0.21 0.13 -0.07 0.09 0.00 0.00 178.83 179.17 1k5q h LEU 319 N 0.00 0.26 -0.66 0.06 3.38 -0.81 0.21 115.31 117.75 1k5q h LEU 319 Ca -0.00 -0.06 -0.07 0.00 0.09 0.00 0.00 57.88 57.84 1k5q h LEU 319 Cb 0.41 -0.07 -0.03 0.00 0.09 0.00 0.00 40.66 41.07 1k5q h LEU 319 CO 0.03 0.25 0.16 0.58 0.09 0.00 0.00 178.44 179.55 1k5q h VAL 320 N 0.25 1.26 -0.94 1.22 2.07 -1.16 -2.21 116.25 116.75 1k5q h VAL 320 Ca 0.08 -0.95 -0.00 0.00 0.82 0.00 0.00 66.70 66.65 1k5q h VAL 320 Cb 0.04 0.60 -0.05 0.00 -1.52 0.00 0.00 31.29 30.36 1k5q h VAL 320 CO -0.01 0.36 0.59 -0.33 0.02 0.00 0.00 177.57 178.19 1k5q h GLU 321 N 0.99 1.27 -0.53 1.57 5.08 -1.02 0.30 114.58 122.24 1k5q h GLU 321 Ca 0.21 -0.10 0.08 0.00 -1.00 0.00 0.00 59.36 58.55 1k5q h GLU 321 Cb 0.37 -0.27 -0.06 0.00 0.50 0.00 0.00 28.75 29.28 1k5q h GLU 321 CO 0.00 0.87 0.17 1.15 -1.00 0.00 0.00 179.01 180.21 1k5q h THR 322 N 1.29 0.78 -0.32 1.13 2.02 -0.62 -2.19 112.91 115.00 1k5q h THR 322 Ca 0.34 -0.12 -0.12 0.00 0.77 0.00 0.00 66.41 67.28 1k5q h THR 322 Cb -0.08 0.41 -0.01 0.00 -1.74 0.00 0.00 68.15 66.73 1k5q h THR 322 CO -0.07 0.06 -0.29 -0.07 0.37 0.00 0.00 175.52 175.52 1k5q h LEU 323 N 0.34 0.69 -1.07 2.58 3.38 -0.52 -3.07 115.31 117.65 1k5q h LEU 323 Ca 0.26 -0.27 -0.01 0.00 0.09 0.00 0.00 57.88 57.96 1k5q h LEU 323 Cb 0.31 -0.19 -0.04 0.00 0.09 0.00 0.00 40.66 40.83 1k5q h LEU 323 CO -0.28 0.95 0.51 0.74 0.09 0.00 0.00 178.44 180.44 1k5q h THR 324 N 0.58 1.23 0.00 0.22 2.02 0.09 -2.09 112.91 114.96 1k5q h THR 324 Ca 0.07 -0.52 0.00 0.00 0.77 0.00 0.00 66.41 66.73 1k5q h THR 324 Cb 0.79 0.04 0.00 0.00 -1.74 0.00 0.00 68.15 67.25 1k5q h THR 324 CO 0.07 0.25 0.00 0.54 0.37 0.00 0.00 175.52 176.74 1k5q n ARG 325 N -4.37 0.23 -3.02 6.66 1.74 -0.88 -4.85 116.66 112.17 1k5q n ARG 325 Ca 0.09 0.27 -0.37 0.00 -0.77 0.00 0.00 57.85 57.08 1k5q n ARG 325 Cb 0.06 -1.81 -0.06 0.00 -1.02 0.00 0.00 32.46 29.63 1k5q n ARG 325 CO 0.00 0.00 0.00 -0.46 -1.52 0.00 0.00 177.63 175.65 1k5q s TRP 326 N -3.16 3.68 -1.57 -1.55 -0.00 -0.79 -4.95 118.94 110.60 1k5q s TRP 326 Ca 0.09 1.49 0.26 0.00 -0.00 0.00 0.00 56.10 57.94 1k5q s TRP 326 Cb 0.12 -2.70 0.67 0.00 -0.00 0.00 0.00 33.47 31.56 1k5q s TRP 326 CO 0.52 0.33 1.51 -0.40 -0.00 0.00 0.00 176.95 178.91 1k5q n ASP 327 N 0.77 0.92 0.00 5.86 5.68 -1.26 -4.93 116.55 123.58 1k5q n ASP 327 Ca -0.02 -0.75 0.00 0.00 -0.50 0.00 0.00 54.79 53.52 1k5q n ASP 327 Cb 0.51 0.18 0.00 0.00 -1.14 0.00 0.00 41.12 40.67 1k5q n ASP 327 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1k5q n GLY 328 N 1.38 0.82 3.47 6.12 0.00 -1.26 -4.88 105.19 110.84 1k5q n GLY 328 Ca 0.10 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.70 1k5q n GLY 328 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1k5q s ILE 329 N -3.31 4.29 0.34 -0.61 -1.09 -1.26 -0.35 121.20 119.21 1k5q s ILE 329 Ca 0.00 -0.51 -0.28 0.00 -2.23 0.00 0.00 60.65 57.62 1k5q s ILE 329 Cb 0.00 -4.76 -0.10 0.00 -1.58 0.00 0.00 42.46 36.02 1k5q s ILE 329 CO 0.00 -1.55 1.32 0.20 -1.23 0.00 0.00 174.94 173.68 1k5q s ASN 330 N 3.77 6.71 0.00 3.58 0.02 -0.18 -4.98 114.94 123.86 1k5q s ASN 330 Ca 0.27 2.72 0.01 0.00 -1.02 0.00 0.00 52.86 54.85 1k5q s ASN 330 Cb -0.12 -2.65 -0.01 0.00 0.02 0.00 0.00 41.25 38.49 1k5q s ASN 330 CO 0.06 -0.58 -0.04 -0.76 0.02 0.00 0.00 177.10 175.79 1k5q s LEU 331 N -1.86 2.05 0.31 0.60 1.43 -1.26 -4.85 118.68 115.10 1k5q s LEU 331 Ca 0.50 -0.16 -0.28 0.00 -1.03 0.00 0.00 54.13 53.16 1k5q s LEU 331 Cb -0.40 -0.18 -0.09 0.00 0.03 0.00 0.00 46.19 45.55 1k5q s LEU 331 CO 0.54 -0.01 1.07 -0.76 0.23 0.00 0.00 176.35 177.42 1k5q s LEU 332 N -0.37 4.46 0.96 1.79 1.43 -1.26 -0.55 118.68 125.14 1k5q s LEU 332 Ca -0.01 2.19 -0.13 0.00 -1.03 0.00 0.00 54.13 55.15 1k5q s LEU 332 Cb -0.03 -3.76 0.17 0.00 0.03 0.00 0.00 46.19 42.59 1k5q s LEU 332 CO -0.00 -0.21 1.12 0.20 0.23 0.00 0.00 176.35 177.69 1k5q s ASN 333 N -1.07 2.99 0.61 2.29 0.02 0.86 -4.70 114.94 115.94 1k5q s ASN 333 Ca 0.47 1.04 0.31 0.00 -1.02 0.00 0.00 52.86 53.66 1k5q s ASN 333 Cb -0.29 -1.65 1.76 0.00 0.02 0.00 0.00 41.25 41.10 1k5q s ASN 333 CO 0.37 -2.88 2.13 0.44 0.02 0.00 0.00 177.10 177.17 1k5q h ASP 334 N -1.72 0.00 0.53 -1.22 3.32 -1.97 -0.12 116.42 115.24 1k5q h ASP 334 Ca -0.53 0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.52 1k5q h ASP 334 Cb 1.33 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.88 1k5q h ASP 334 CO 0.59 0.00 0.00 -0.90 -1.72 0.00 0.00 179.24 177.21 1k5q n ASP 335 N -3.63 0.00 -2.47 6.45 5.68 -1.26 -4.87 116.55 116.46 1k5q n ASP 335 Ca 0.00 0.32 -0.16 0.00 -0.50 0.00 0.00 54.79 54.45 1k5q n ASP 335 Cb 0.28 -0.42 -0.01 0.00 -1.14 0.00 0.00 41.12 39.83 1k5q n ASP 335 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1k5q n GLY 336 N 0.36 -0.50 0.00 6.12 0.00 -0.06 -4.75 105.19 106.36 1k5q n GLY 336 Ca 0.06 0.01 0.00 0.00 0.00 0.00 0.00 46.02 46.09 1k5q n GLY 336 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 1k5q n LYS 337 N -2.94 0.86 -4.53 1.61 3.00 -1.26 -4.86 118.16 110.04 1k5q n LYS 337 Ca -0.18 0.00 -0.25 0.00 -0.00 0.00 0.00 58.31 57.88 1k5q n LYS 337 Cb 0.64 -0.65 -0.11 0.00 0.00 0.00 0.00 35.03 34.91 1k5q n LYS 337 CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 177.40 178.35 1k5q s THR 338 N -1.30 1.86 -0.04 3.15 -4.23 -1.26 -1.88 115.64 111.94 1k5q s THR 338 Ca 0.00 -2.08 -0.11 0.00 -1.18 0.00 0.00 61.69 58.32 1k5q s THR 338 Cb 0.00 -2.76 -0.05 0.00 1.34 0.00 0.00 72.50 71.03 1k5q s THR 338 CO 0.00 -0.12 0.30 0.26 -0.54 0.00 0.00 174.62 174.52 1k5q s TRP 339 N -2.84 3.67 0.33 3.99 0.51 -0.11 -0.10 118.94 124.39 1k5q s TRP 339 Ca 0.33 0.79 0.05 0.00 -2.12 0.00 0.00 56.10 55.16 1k5q s TRP 339 Cb 0.06 -2.14 0.69 0.00 -0.81 0.00 0.00 33.47 31.27 1k5q s TRP 339 CO 0.16 0.68 1.88 1.96 -0.51 0.00 0.00 176.95 181.12 1k5q h GLN 340 N 4.76 0.82 -6.64 4.98 4.20 -1.10 -3.39 115.11 118.74 1k5q h GLN 340 Ca -0.53 -0.05 -0.69 0.00 0.06 0.00 0.00 58.65 57.44 1k5q h GLN 340 Cb 1.22 -0.18 -0.24 0.00 0.30 0.00 0.00 27.48 28.58 1k5q h GLN 340 CO 0.60 0.54 -0.83 -0.65 -0.67 0.00 0.00 178.83 177.82 1k5q s GLN 341 N -5.79 1.96 -0.00 1.46 -1.52 -1.26 -5.00 119.66 109.50 1k5q s GLN 341 Ca -0.11 -1.03 0.07 0.00 -1.95 0.00 0.00 55.36 52.34 1k5q s GLN 341 Cb 0.21 -2.11 0.21 0.00 -0.22 0.00 0.00 33.01 31.11 1k5q s GLN 341 CO 0.79 0.53 1.15 -0.35 -0.25 0.00 0.00 175.29 177.17 1k5q n PRO 342 N 1.63 1.59 -0.23 2.91 -0.04 -1.26 -4.56 135.00 135.03 1k5q n PRO 342 Ca -0.16 -0.85 0.02 0.00 -0.04 0.00 0.00 63.50 62.46 1k5q n PRO 342 Cb 0.52 -1.22 0.14 0.00 -0.04 0.00 0.00 33.50 32.90 1k5q n PRO 342 CO 0.00 0.00 0.00 0.78 -0.04 0.00 0.00 175.50 176.24 1k5q h GLY 343 N 5.44 1.01 1.43 0.55 0.00 -1.96 -1.51 103.07 108.03 1k5q h GLY 343 Ca 0.00 -0.18 -0.07 0.00 0.00 0.00 0.00 47.33 47.08 1k5q h GLY 343 CO 0.01 0.01 -0.02 1.76 0.00 0.00 0.00 176.54 178.30 1k5q h SER 344 N 0.52 0.67 -0.28 0.19 0.02 -1.97 -0.25 113.55 112.45 1k5q h SER 344 Ca 0.35 -0.16 -0.09 0.00 -0.84 0.00 0.00 61.79 61.04 1k5q h SER 344 Cb 0.41 -0.18 -0.01 0.00 0.14 0.00 0.00 62.40 62.77 1k5q h SER 344 CO -0.30 0.76 -0.20 0.00 -1.14 0.00 0.00 176.83 175.95 1k5q h ALA 345 N 1.32 0.40 0.25 3.77 0.00 -1.73 0.14 119.26 123.41 1k5q h ALA 345 Ca 0.13 -0.35 -0.00 0.00 0.00 0.00 0.00 54.91 54.68 1k5q h ALA 345 Cb 0.44 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.13 1k5q h ALA 345 CO 0.02 0.33 -0.19 0.82 0.00 0.00 0.00 179.25 180.23 1k5q h ILE 346 N 0.36 0.58 -0.83 0.00 2.04 -1.04 -1.29 117.51 117.33 1k5q h ILE 346 Ca 0.05 0.00 0.07 0.00 1.00 0.00 0.00 64.86 65.99 1k5q h ILE 346 Cb 0.74 0.58 -0.06 0.00 -0.74 0.00 0.00 36.82 37.33 1k5q h ILE 346 CO 0.05 0.00 0.50 -0.07 0.00 0.00 0.00 178.15 178.63 1k5q h LEU 347 N -0.46 0.76 0.11 1.44 3.38 -0.92 -1.04 115.31 118.59 1k5q h LEU 347 Ca -0.02 0.03 -0.01 0.00 0.09 0.00 0.00 57.88 57.98 1k5q h LEU 347 Cb 0.40 -0.13 0.00 0.00 0.09 0.00 0.00 40.66 41.03 1k5q h LEU 347 CO -0.01 0.47 -0.05 -1.13 0.09 0.00 0.00 178.44 177.81 1k5q h ASN 348 N 0.89 -0.13 -0.28 -0.43 -0.00 -0.47 0.29 115.58 115.45 1k5q h ASN 348 Ca 0.38 -0.07 -0.01 0.00 -0.00 0.00 0.00 56.30 56.59 1k5q h ASN 348 Cb 0.24 0.03 -0.01 0.00 -0.00 0.00 0.00 38.32 38.58 1k5q h ASN 348 CO -0.20 -0.01 0.12 0.58 -0.00 0.00 0.00 177.43 177.92 1k5q h VAL 349 N -0.24 1.17 0.54 2.57 2.07 -0.94 -1.04 116.25 120.38 1k5q h VAL 349 Ca -0.02 -0.51 -0.03 0.00 0.82 0.00 0.00 66.70 66.97 1k5q h VAL 349 Cb 0.19 0.99 0.01 0.00 -1.52 0.00 0.00 31.29 30.96 1k5q h VAL 349 CO 0.03 0.17 -0.26 -0.25 0.02 0.00 0.00 177.57 177.28 1k5q h TRP 350 N 0.30 -0.67 -0.57 1.57 7.01 -1.09 -1.73 115.95 120.77 1k5q h TRP 350 Ca 0.09 -0.02 0.10 0.00 2.11 0.00 0.00 58.89 61.18 1k5q h TRP 350 Cb 0.17 0.22 -0.08 0.00 -2.10 0.00 0.00 29.16 27.37 1k5q h TRP 350 CO -0.01 -0.39 0.13 1.25 -2.79 0.00 0.00 178.44 176.63 1k5q h LEU 351 N -0.80 0.03 -0.64 0.65 5.85 -0.40 0.21 115.31 120.21 1k5q h LEU 351 Ca -0.07 0.10 0.08 0.00 0.84 0.00 0.00 57.88 58.83 1k5q h LEU 351 Cb 0.59 0.13 -0.06 0.00 0.37 0.00 0.00 40.66 41.69 1k5q h LEU 351 CO 0.12 0.03 0.31 0.74 -0.34 0.00 0.00 178.44 179.30 1k5q h THR 352 N 0.27 0.87 -0.49 1.05 2.02 -1.05 0.36 112.91 115.93 1k5q h THR 352 Ca 0.29 -0.19 -0.13 0.00 0.77 0.00 0.00 66.41 67.16 1k5q h THR 352 Cb 0.42 0.27 -0.01 0.00 -1.74 0.00 0.00 68.15 67.09 1k5q h THR 352 CO -0.37 0.10 -0.21 -1.28 0.37 0.00 0.00 175.52 174.13 1k5q h SER 353 N 0.55 1.03 -0.48 4.18 0.87 -0.17 -2.16 113.55 117.37 1k5q h SER 353 Ca 0.31 -0.39 -0.01 0.00 -1.23 0.00 0.00 61.79 60.46 1k5q h SER 353 Cb 0.30 -0.28 -0.02 0.00 -0.44 0.00 0.00 62.40 61.95 1k5q h SER 353 CO -0.24 1.19 0.25 0.24 -0.53 0.00 0.00 176.83 177.74 1k5q h MET 354 N 0.87 0.68 -0.58 2.24 2.07 0.08 -1.35 114.93 118.93 1k5q h MET 354 Ca 0.11 -0.09 -0.06 0.00 -2.07 0.00 0.00 59.70 57.59 1k5q h MET 354 Cb 0.79 -0.13 -0.02 0.00 -1.87 0.00 0.00 31.60 30.37 1k5q h MET 354 CO 0.07 0.55 0.13 -0.07 1.07 0.00 0.00 176.91 178.65 1k5q h LEU 355 N 0.63 0.90 -1.23 1.22 3.38 -0.84 0.18 115.31 119.56 1k5q h LEU 355 Ca 0.17 -0.24 -0.05 0.00 0.09 0.00 0.00 57.88 57.85 1k5q h LEU 355 Cb 0.08 -0.24 -0.02 0.00 0.09 0.00 0.00 40.66 40.57 1k5q h LEU 355 CO -0.02 0.91 0.02 0.50 0.09 0.00 0.00 178.44 179.93 1k5q h LYS 356 N 0.85 0.54 0.00 1.13 3.64 -1.22 0.07 116.57 121.58 1k5q h LYS 356 Ca 0.18 -0.11 -0.21 0.00 -1.27 0.00 0.00 60.65 59.24 1k5q h LYS 356 Cb 0.37 -0.08 -0.03 0.00 -0.41 0.00 0.00 32.23 32.08 1k5q h LYS 356 CO 0.01 0.56 -1.03 0.00 -2.27 0.00 0.00 179.45 176.71 1k5q h ARG 357 N 0.52 0.00 0.00 1.90 3.08 -0.56 -3.24 114.38 116.09 1k5q h ARG 357 Ca 0.11 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.16 1k5q h ARG 357 Cb 0.31 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.36 1k5q h ARG 357 CO 0.01 0.97 0.00 0.25 -1.07 0.00 0.00 179.97 180.13 1k5q n THR 358 N -3.33 0.00 -0.19 2.04 -2.24 0.57 -4.48 114.28 106.64 1k5q n THR 358 Ca -0.01 0.00 -0.01 0.00 -2.27 0.00 0.00 64.05 61.77 1k5q n THR 358 Cb 0.94 -0.33 0.10 0.00 -2.10 0.00 0.00 70.33 68.95 1k5q n THR 358 CO 0.00 0.00 0.00 0.58 -0.57 0.00 0.00 175.07 175.08 1k5q h VAL 359 N 0.00 0.78 -0.57 2.28 2.07 -1.68 -1.00 116.25 118.12 1k5q h VAL 359 Ca 0.00 -0.13 -0.05 0.00 0.82 0.00 0.00 66.70 67.34 1k5q h VAL 359 Cb 0.00 0.35 -0.03 0.00 -1.52 0.00 0.00 31.29 30.10 1k5q h VAL 359 CO 0.00 0.07 0.17 0.58 0.02 0.00 0.00 177.57 178.41 1k5q h VAL 360 N 0.39 1.22 0.00 2.57 2.07 -1.21 -2.18 116.25 119.12 1k5q h VAL 360 Ca 0.29 -0.78 -0.05 0.00 0.82 0.00 0.00 66.70 66.98 1k5q h VAL 360 Cb 0.36 0.61 -0.01 0.00 -1.52 0.00 0.00 31.29 30.72 1k5q h VAL 360 CO -0.30 0.30 -0.25 0.00 0.02 0.00 0.00 177.57 177.34 1k5q h ALA 361 N 1.35 1.19 0.00 1.67 0.00 -1.23 -3.09 119.26 119.15 1k5q h ALA 361 Ca 0.19 -0.23 0.00 0.00 0.00 0.00 0.00 54.91 54.87 1k5q h ALA 361 Cb 0.26 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.01 1k5q h ALA 361 CO -0.01 0.31 -0.65 0.00 0.00 0.00 0.00 179.25 178.91 1k5q n ALA 362 N -2.32 3.91 -2.85 0.00 0.00 -0.82 -4.87 120.51 113.55 1k5q n ALA 362 Ca -0.01 -0.42 -0.34 0.00 0.00 0.00 0.00 53.44 52.66 1k5q n ALA 362 Cb 0.37 -1.02 -0.10 0.00 0.00 0.00 0.00 19.45 18.70 1k5q n ALA 362 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 1k5q s VAL 363 N -3.00 4.44 0.46 0.00 1.01 -1.06 -5.08 120.40 117.16 1k5q s VAL 363 Ca 0.10 -0.17 -0.23 0.00 0.00 0.00 0.00 61.98 61.68 1k5q s VAL 363 Cb 0.17 -2.97 -0.07 0.00 0.00 0.00 0.00 36.38 33.51 1k5q s VAL 363 CO 0.75 0.49 1.21 -2.16 0.00 0.00 0.00 175.10 175.40 1k5q s PRO 364 N 0.20 3.73 0.63 2.72 0.04 -1.26 -4.17 135.00 136.89 1k5q s PRO 364 Ca 0.02 1.90 -0.17 0.00 0.04 0.00 0.00 61.00 62.79 1k5q s PRO 364 Cb -0.13 -2.47 -0.02 0.00 0.04 0.00 0.00 34.50 31.93 1k5q s PRO 364 CO 0.01 -0.61 1.13 -1.64 0.04 0.00 0.00 177.00 175.93 1k5q s MET 365 N -2.62 2.91 -0.13 4.56 -1.94 -1.26 -1.29 119.30 119.53 1k5q s MET 365 Ca 0.63 1.53 0.09 0.00 -1.71 0.00 0.00 55.69 56.23 1k5q s MET 365 Cb -0.32 -1.95 0.48 0.00 2.01 0.00 0.00 34.83 35.05 1k5q s MET 365 CO 0.39 -1.19 1.26 -0.35 -0.01 0.00 0.00 175.02 175.12 1k5q n PRO 366 N -2.06 3.19 0.25 2.03 -0.04 -1.26 -4.84 135.00 132.28 1k5q n PRO 366 Ca 0.11 -1.86 0.15 0.00 -0.04 0.00 0.00 63.50 61.86 1k5q n PRO 366 Cb 0.51 -1.89 0.45 0.00 -0.04 0.00 0.00 33.50 32.53 1k5q n PRO 366 CO 0.00 0.00 0.00 0.74 -0.04 0.00 0.00 175.50 176.20 1k5q h PHE 367 N 2.42 0.00 -0.86 0.54 0.04 -1.52 -3.12 116.94 114.44 1k5q h PHE 367 Ca 0.00 0.00 0.12 0.00 2.80 0.00 0.00 57.97 60.89 1k5q h PHE 367 Cb 1.30 0.00 -0.06 0.00 2.20 0.00 0.00 35.95 39.38 1k5q h PHE 367 CO 0.62 0.01 0.56 0.38 -0.60 0.00 0.00 178.31 179.27 1k5q h ASP 368 N 0.00 0.67 -0.98 2.17 2.03 -1.62 -1.43 116.42 117.27 1k5q h ASP 368 Ca -0.00 0.03 0.19 0.00 -0.73 0.00 0.00 57.03 56.52 1k5q h ASP 368 Cb 0.74 -0.11 -0.09 0.00 -0.83 0.00 0.00 39.33 39.04 1k5q h ASP 368 CO 0.00 0.37 0.61 0.11 -1.03 0.00 0.00 179.24 179.30 1k5q h LYS 369 N 0.73 0.68 0.00 4.15 1.79 -1.87 -1.17 116.57 120.87 1k5q h LYS 369 Ca 0.42 -0.04 0.00 0.00 -2.18 0.00 0.00 60.65 58.85 1k5q h LYS 369 Cb 0.60 -0.15 0.00 0.00 -1.58 0.00 0.00 32.23 31.10 1k5q h LYS 369 CO -0.18 0.45 0.16 0.91 -1.08 0.00 0.00 179.45 179.71 1k5q n TRP 370 N -4.68 0.53 -0.60 -1.35 8.01 -0.54 -2.07 117.44 116.74 1k5q n TRP 370 Ca 0.22 0.27 0.04 0.00 -1.31 0.00 0.00 57.50 56.73 1k5q n TRP 370 Cb 0.59 -0.83 0.06 0.00 -2.01 0.00 0.00 31.31 29.11 1k5q n TRP 370 CO 0.00 0.00 0.00 0.66 -1.01 0.00 0.00 177.69 177.34 1k5q n TYR 371 N -2.08 0.00 -0.01 -5.99 4.01 -0.44 -4.60 117.16 108.05 1k5q n TYR 371 Ca -0.01 -0.65 -0.02 0.00 -0.16 0.00 0.00 57.90 57.06 1k5q n TYR 371 Cb 0.18 -0.09 -0.12 0.00 -0.31 0.00 0.00 39.34 39.00 1k5q n TYR 371 CO 0.00 0.00 0.00 -1.13 -0.46 0.00 0.00 176.86 175.27 1k5q n SER 372 N -0.83 0.52 -4.76 7.72 3.41 -0.88 -4.42 113.62 114.38 1k5q n SER 372 Ca 0.07 0.23 -0.41 0.00 -0.26 0.00 0.00 58.87 58.50 1k5q n SER 372 Cb 0.45 0.60 -0.01 0.00 -0.26 0.00 0.00 64.21 64.99 1k5q n SER 372 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1k5q n ALA 373 N -2.49 2.56 0.16 7.33 0.00 -1.26 -4.83 120.51 121.97 1k5q n ALA 373 Ca -0.16 0.36 0.12 0.00 0.00 0.00 0.00 53.44 53.75 1k5q n ALA 373 Cb 0.91 -2.46 0.03 0.00 0.00 0.00 0.00 19.45 17.93 1k5q n ALA 373 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.50 178.16 1k5q h SER 374 N 3.99 0.00 0.00 0.00 4.64 -1.92 -3.42 113.55 116.84 1k5q h SER 374 Ca -0.49 -0.02 0.00 0.00 -0.47 0.00 0.00 61.79 60.81 1k5q h SER 374 Cb 1.23 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.32 1k5q h SER 374 CO 0.73 0.01 0.00 0.61 -0.87 0.00 0.00 176.83 177.31 1k5q n GLY 375 N 1.19 0.48 0.00 -0.77 0.00 -1.26 -4.31 105.19 100.52 1k5q n GLY 375 Ca 0.01 0.00 0.09 0.00 0.00 0.00 0.00 46.02 46.12 1k5q n GLY 375 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 1k5q n TYR 376 N -2.00 0.00 -1.56 1.61 4.02 -1.26 -4.58 117.16 113.38 1k5q n TYR 376 Ca 0.00 0.00 -0.45 0.00 -0.01 0.00 0.00 57.90 57.44 1k5q n TYR 376 Cb 0.00 -0.04 -0.02 0.00 -0.02 0.00 0.00 39.34 39.26 1k5q n TYR 376 CO 0.00 0.00 0.00 0.39 -1.01 0.00 0.00 176.86 176.24 1k5q n GLU 377 N -1.51 1.16 -3.70 -0.72 4.71 -1.26 -4.96 120.64 114.37 1k5q n GLU 377 Ca 0.03 0.41 -0.03 0.00 -0.01 0.00 0.00 57.16 57.56 1k5q n GLU 377 Cb 0.31 -1.74 -0.01 0.00 -1.01 0.00 0.00 31.44 28.99 1k5q n GLU 377 CO 0.00 0.00 0.00 -0.08 0.09 0.00 0.00 177.13 177.14 1k5q s THR 378 N -1.08 0.00 0.42 2.62 -1.32 -1.26 -4.90 115.64 110.12 1k5q s THR 378 Ca 0.59 -0.48 0.05 0.00 -1.21 0.00 0.00 61.69 60.65 1k5q s THR 378 Cb -0.72 -1.86 0.05 0.00 -1.51 0.00 0.00 72.50 68.46 1k5q s THR 378 CO 0.59 0.00 0.44 0.35 -2.21 0.00 0.00 174.62 173.79 1k5q n THR 379 N -0.44 0.00 0.05 5.08 -2.24 -1.26 -4.97 114.28 110.50 1k5q n THR 379 Ca -0.07 -1.54 0.03 0.00 -2.27 0.00 0.00 64.05 60.20 1k5q n THR 379 Cb 0.61 -0.37 0.40 0.00 -2.10 0.00 0.00 70.33 68.87 1k5q n THR 379 CO 0.00 0.00 0.00 1.56 -0.57 0.00 0.00 175.07 176.06 1k5q h GLN 380 N 0.00 0.42 0.00 -0.78 4.20 -2.02 -0.89 115.11 116.04 1k5q h GLN 380 Ca -0.23 -0.06 0.00 0.00 0.06 0.00 0.00 58.65 58.42 1k5q h GLN 380 Cb 0.94 -0.08 0.00 0.00 0.30 0.00 0.00 27.48 28.64 1k5q h GLN 380 CO 0.35 0.39 0.00 -0.25 -0.67 0.00 0.00 178.83 178.65 1k5q n ASP 381 N -4.38 0.00 0.00 1.46 8.00 -1.26 -4.76 116.55 115.61 1k5q n ASP 381 Ca 0.01 0.47 0.00 0.00 0.71 0.00 0.00 54.79 55.98 1k5q n ASP 381 Cb 0.16 -0.49 0.00 0.00 -0.02 0.00 0.00 41.12 40.77 1k5q n ASP 381 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1k5q n GLY 382 N 0.94 -0.14 3.68 0.44 0.00 -0.34 -3.38 105.19 106.40 1k5q n GLY 382 Ca 0.06 -1.86 -0.43 0.00 0.00 0.00 0.00 46.02 43.79 1k5q n GLY 382 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 1k5q n PRO 383 N -0.17 2.00 0.00 1.61 -0.02 -1.26 -4.30 135.00 132.85 1k5q n PRO 383 Ca 0.00 0.70 0.14 0.00 -2.02 0.00 0.00 63.50 62.32 1k5q n PRO 383 Cb 0.00 -2.25 0.60 0.00 -0.02 0.00 0.00 33.50 31.83 1k5q n PRO 383 CO 0.00 0.00 0.00 0.25 1.98 0.00 0.00 175.50 177.73 1k5q n THR 384 N 0.30 0.00 -1.67 3.45 -2.24 -1.26 -4.74 114.28 108.13 1k5q n THR 384 Ca 0.05 -0.02 0.00 0.00 -2.27 0.00 0.00 64.05 61.82 1k5q n THR 384 Cb 0.35 -0.28 0.00 0.00 -2.10 0.00 0.00 70.33 68.30 1k5q n THR 384 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1k5q n GLY 385 N 1.39 3.54 3.78 3.38 0.00 -1.26 -4.00 105.19 112.02 1k5q n GLY 385 Ca 0.11 -0.72 -0.31 0.00 0.00 0.00 0.00 46.02 45.10 1k5q n GLY 385 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1k5q s SER 386 N 1.84 4.57 0.00 1.61 1.04 -1.26 -4.94 113.70 116.56 1k5q s SER 386 Ca 0.00 1.66 -0.02 0.00 0.48 0.00 0.00 55.95 58.07 1k5q s SER 386 Cb 0.00 -2.41 -0.04 0.00 0.10 0.00 0.00 66.02 63.67 1k5q s SER 386 CO 0.00 -1.97 0.17 -0.76 0.98 0.00 0.00 173.24 171.66 1k5q s LEU 387 N -5.85 4.28 0.20 2.42 1.02 -1.26 -5.09 118.68 114.40 1k5q s LEU 387 Ca 0.61 0.30 -0.09 0.00 0.02 0.00 0.00 54.13 54.96 1k5q s LEU 387 Cb -0.16 -2.61 -0.01 0.00 0.02 0.00 0.00 46.19 43.42 1k5q s LEU 387 CO 0.56 0.25 0.32 0.21 0.02 0.00 0.00 176.35 177.71 1k5q s ASN 388 N -2.01 0.01 0.01 2.29 3.84 -1.26 -5.08 114.94 112.75 1k5q s ASN 388 Ca 0.28 -0.99 -0.30 0.00 0.21 0.00 0.00 52.86 52.05 1k5q s ASN 388 Cb -0.13 0.48 -0.05 0.00 -0.55 0.00 0.00 41.25 41.01 1k5q s ASN 388 CO 0.19 -0.97 1.23 -0.63 -2.79 0.00 0.00 177.10 174.13 1k5q s ILE 389 N -4.02 4.06 0.66 -5.21 1.01 -1.26 -4.76 121.20 111.68 1k5q s ILE 389 Ca 0.23 1.45 -0.14 0.00 0.00 0.00 0.00 60.65 62.19 1k5q s ILE 389 Cb 0.03 -3.93 -0.00 0.00 0.01 0.00 0.00 42.46 38.57 1k5q s ILE 389 CO 0.06 0.05 1.09 -0.94 0.00 0.00 0.00 174.94 175.20 1k5q s SER 390 N 1.33 5.21 0.26 3.58 1.04 -1.26 -4.81 113.70 119.06 1k5q s SER 390 Ca 0.58 1.91 -0.02 0.00 0.48 0.00 0.00 55.95 58.91 1k5q s SER 390 Cb -0.28 -2.54 0.44 0.00 0.10 0.00 0.00 66.02 63.74 1k5q s SER 390 CO 0.26 -1.56 1.85 1.62 0.98 0.00 0.00 173.24 176.40 1k5q h VAL 391 N -0.05 1.01 -0.41 5.02 3.04 -1.88 0.14 116.25 123.12 1k5q h VAL 391 Ca -0.46 -0.36 -0.03 0.00 -1.01 0.00 0.00 66.70 64.84 1k5q h VAL 391 Cb 1.24 -0.13 -0.02 0.00 -2.01 0.00 0.00 31.29 30.37 1k5q h VAL 391 CO 0.55 0.19 0.15 1.23 -1.01 0.00 0.00 177.57 178.68 1k5q h GLY 392 N 1.05 0.67 0.87 3.17 0.00 -1.81 -0.93 103.07 106.08 1k5q h GLY 392 Ca 0.44 -0.37 0.03 0.00 0.00 0.00 0.00 47.33 47.43 1k5q h GLY 392 CO -0.21 0.35 0.38 0.00 0.00 0.00 0.00 176.54 177.06 1k5q h ALA 393 N 1.00 0.81 -0.66 3.60 0.00 -1.40 0.12 119.26 122.73 1k5q h ALA 393 Ca 0.14 -0.02 -0.07 0.00 0.00 0.00 0.00 54.91 54.96 1k5q h ALA 393 Cb 0.21 -0.19 -0.03 0.00 0.00 0.00 0.00 17.79 17.79 1k5q h ALA 393 CO -0.01 0.13 0.13 0.87 0.00 0.00 0.00 179.25 180.37 1k5q h LYS 394 N 0.75 1.08 -0.31 0.00 1.57 -0.41 0.18 116.57 119.43 1k5q h LYS 394 Ca 0.25 -0.28 -0.03 0.00 -1.87 0.00 0.00 60.65 58.73 1k5q h LYS 394 Cb 0.03 -0.13 -0.01 0.00 0.08 0.00 0.00 32.23 32.19 1k5q h LYS 394 CO -0.11 0.98 0.07 0.82 -0.57 0.00 0.00 179.45 180.65 1k5q h ILE 395 N 1.00 1.22 -0.91 1.86 2.04 -0.82 -2.68 117.51 119.22 1k5q h ILE 395 Ca 0.20 -0.74 0.05 0.00 1.00 0.00 0.00 64.86 65.37 1k5q h ILE 395 Cb 0.41 1.12 -0.06 0.00 -0.74 0.00 0.00 36.82 37.55 1k5q h ILE 395 CO 0.01 0.25 0.59 0.25 0.00 0.00 0.00 178.15 179.24 1k5q h LEU 396 N 0.34 0.96 -0.75 1.44 5.85 -0.25 -2.07 115.31 120.83 1k5q h LEU 396 Ca 0.10 0.00 0.09 0.00 0.84 0.00 0.00 57.88 58.90 1k5q h LEU 396 Cb 0.30 -0.21 -0.07 0.00 0.37 0.00 0.00 40.66 41.06 1k5q h LEU 396 CO 0.00 0.64 0.41 0.22 -0.34 0.00 0.00 178.44 179.37 1k5q h TYR 397 N 1.11 0.74 -0.81 1.25 3.20 -0.33 -0.61 116.97 121.52 1k5q h TYR 397 Ca 0.38 0.03 -0.02 0.00 3.14 0.00 0.00 58.73 62.26 1k5q h TYR 397 Cb 0.06 -0.22 -0.04 0.00 1.54 0.00 0.00 36.73 38.08 1k5q h TYR 397 CO -0.02 0.30 0.44 0.93 -1.64 0.00 0.00 178.16 178.18 1k5q h GLU 398 N 0.70 1.13 -0.42 1.82 4.39 -1.14 -2.07 114.58 119.00 1k5q h GLU 398 Ca 0.36 -0.13 -0.09 0.00 0.34 0.00 0.00 59.36 59.84 1k5q h GLU 398 Cb 0.32 -0.22 -0.01 0.00 -0.10 0.00 0.00 28.75 28.73 1k5q h GLU 398 CO -0.24 0.83 -0.10 0.00 -1.16 0.00 0.00 179.01 178.34 1k5q h ALA 399 N 1.35 0.58 0.00 3.43 0.00 -0.91 -2.59 119.26 121.12 1k5q h ALA 399 Ca 0.29 -0.32 0.00 0.00 0.00 0.00 0.00 54.91 54.87 1k5q h ALA 399 Cb 0.03 -0.15 0.00 0.00 0.00 0.00 0.00 17.79 17.67 1k5q h ALA 399 CO -0.05 0.46 0.00 1.33 0.00 0.00 0.00 179.25 180.99 1k5q n VAL 400 N -4.31 0.50 0.71 0.00 0.24 -0.39 -2.41 118.33 112.67 1k5q n VAL 400 Ca -0.01 0.07 0.13 0.00 -2.04 0.00 0.00 64.34 62.50 1k5q n VAL 400 Cb 0.37 -0.75 0.43 0.00 -1.47 0.00 0.00 33.84 32.42 1k5q n VAL 400 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 1k5q n GLN 401 N -1.66 0.20 0.00 7.34 1.13 -0.81 -4.98 117.38 118.60 1k5q n GLN 401 Ca 0.05 0.15 0.00 0.00 -1.94 0.00 0.00 57.00 55.26 1k5q n GLN 401 Cb 0.28 -1.72 0.00 0.00 0.11 0.00 0.00 30.24 28.91 1k5q n GLN 401 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 1k5q n GLY 402 N 1.36 3.66 0.24 1.08 0.00 -1.01 -1.83 105.19 108.67 1k5q n GLY 402 Ca 0.06 -0.08 0.11 0.00 0.00 0.00 0.00 46.02 46.11 1k5q n GLY 402 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 1k5q h ASP 403 N 0.00 0.00 0.01 1.61 3.45 -1.92 -2.85 116.42 116.72 1k5q h ASP 403 Ca 0.00 0.00 -0.00 0.00 0.43 0.00 0.00 57.03 57.46 1k5q h ASP 403 Cb 0.00 0.00 -0.00 0.00 -0.56 0.00 0.00 39.33 38.77 1k5q h ASP 403 CO 0.00 0.18 -0.00 0.11 -1.57 0.00 0.00 179.24 177.96 1k5q h LYS 404 N 0.00 0.00 -6.24 3.56 1.57 -1.74 -3.41 116.57 110.31 1k5q h LYS 404 Ca -0.00 0.00 -0.55 0.00 -1.87 0.00 0.00 60.65 58.23 1k5q h LYS 404 Cb 0.64 0.00 -0.04 0.00 0.08 0.00 0.00 32.23 32.90 1k5q h LYS 404 CO 0.02 0.00 0.12 0.45 -0.57 0.00 0.00 179.45 179.47 1k5q s SER 405 N -5.20 7.15 0.00 0.86 0.15 -1.08 -4.96 113.70 110.62 1k5q s SER 405 Ca -0.05 1.37 0.18 0.00 0.70 0.00 0.00 55.95 58.15 1k5q s SER 405 Cb 0.13 -2.44 0.97 0.00 -1.71 0.00 0.00 66.02 62.97 1k5q s SER 405 CO 0.42 0.03 1.64 -0.81 1.20 0.00 0.00 173.24 175.72 1k5q n PRO 406 N 2.83 1.19 -3.43 5.44 -0.04 -1.26 -4.74 135.00 134.99 1k5q n PRO 406 Ca -0.03 -0.28 -0.41 0.00 -0.04 0.00 0.00 63.50 62.73 1k5q n PRO 406 Cb 0.50 -1.30 -0.10 0.00 -0.04 0.00 0.00 33.50 32.56 1k5q n PRO 406 CO 0.00 0.00 0.00 0.42 -0.04 0.00 0.00 175.50 175.88 1k5q s ILE 407 N -1.94 5.19 0.15 0.52 -1.09 -1.26 -5.04 121.20 117.73 1k5q s ILE 407 Ca 0.28 -0.17 -0.34 0.00 -2.23 0.00 0.00 60.65 58.19 1k5q s ILE 407 Cb 0.13 -3.85 -0.14 0.00 -1.58 0.00 0.00 42.46 37.03 1k5q s ILE 407 CO 0.22 -0.15 1.61 -2.65 -1.23 0.00 0.00 174.94 172.73 1k5q n PRO 408 N 5.32 2.20 -2.15 2.79 -0.02 -1.26 -4.86 135.00 137.03 1k5q n PRO 408 Ca -0.10 0.80 -0.42 0.00 -2.02 0.00 0.00 63.50 61.75 1k5q n PRO 408 Cb 0.49 -2.58 0.00 0.00 -0.02 0.00 0.00 33.50 31.39 1k5q n PRO 408 CO 0.00 0.00 0.00 1.04 1.98 0.00 0.00 175.50 178.52 1k5q n GLN 409 N 3.70 3.27 -0.32 -0.52 1.13 -1.26 -4.80 117.38 118.57 1k5q n GLN 409 Ca 0.17 -3.16 0.20 0.00 -1.94 0.00 0.00 57.00 52.27 1k5q n GLN 409 Cb 0.29 -3.12 0.41 0.00 0.11 0.00 0.00 30.24 27.93 1k5q n GLN 409 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 1k5q h ALA 410 N 6.05 1.71 -4.34 -1.58 0.00 -2.05 -3.35 119.26 115.69 1k5q h ALA 410 Ca 0.46 0.20 -0.58 0.00 0.00 0.00 0.00 54.91 55.00 1k5q h ALA 410 Cb 0.66 0.21 -0.30 0.00 0.00 0.00 0.00 17.79 18.37 1k5q h ALA 410 CO 1.70 -0.52 -0.85 0.14 0.00 0.00 0.00 179.25 179.72 1k5q s VAL 411 N -5.76 1.52 -0.37 0.00 -7.23 -1.26 -5.10 120.40 102.19 1k5q s VAL 411 Ca -0.11 -0.82 -0.29 0.00 -1.81 0.00 0.00 61.98 58.96 1k5q s VAL 411 Cb 0.29 -1.27 0.01 0.00 0.56 0.00 0.00 36.38 35.97 1k5q s VAL 411 CO 0.78 0.43 1.36 -0.62 -0.31 0.00 0.00 175.10 176.74 1k5q s ASP 412 N -0.41 6.48 0.22 4.85 2.15 -1.26 -4.88 116.67 123.81 1k5q s ASP 412 Ca 0.06 0.96 0.19 0.00 0.43 0.00 0.00 52.55 54.20 1k5q s ASP 412 Cb -0.08 -2.54 0.90 0.00 -0.30 0.00 0.00 42.92 40.90 1k5q s ASP 412 CO -0.00 -1.29 1.58 0.18 -0.17 0.00 0.00 175.17 175.47 1k5q n LEU 413 N 8.32 0.48 -1.10 -1.34 4.77 -1.26 -1.06 117.00 125.81 1k5q n LEU 413 Ca 0.16 0.66 0.12 0.00 -0.03 0.00 0.00 56.01 56.92 1k5q n LEU 413 Cb 0.47 -0.65 0.18 0.00 -2.33 0.00 0.00 43.42 41.09 1k5q n LEU 413 CO 0.68 -0.66 0.68 0.49 -1.33 0.00 0.00 177.39 177.24 1k5q n PHE 414 N -2.08 0.38 -4.22 -1.77 3.72 -1.26 -4.20 117.46 108.03 1k5q n PHE 414 Ca 0.01 -0.19 -0.36 0.00 -0.05 0.00 0.00 57.45 56.86 1k5q n PHE 414 Cb 0.12 -0.00 -0.06 0.00 -0.94 0.00 0.00 39.48 38.61 1k5q n PHE 414 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 1k5q n ALA 415 N 1.44 -2.20 0.00 4.37 0.00 -0.23 -0.54 120.51 123.35 1k5q n ALA 415 Ca 0.18 -0.47 0.00 0.00 0.00 0.00 0.00 53.44 53.15 1k5q n ALA 415 Cb 0.60 -1.42 0.00 0.00 0.00 0.00 0.00 19.45 18.63 1k5q n ALA 415 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1k5q n GLY 416 N -2.40 2.89 3.80 0.00 0.00 -1.26 -5.00 105.19 103.22 1k5q n GLY 416 Ca -0.26 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.41 1k5q n GLY 416 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1k5q s LYS 417 N 0.00 4.39 0.32 1.61 1.02 0.29 -4.99 119.74 122.37 1k5q s LYS 417 Ca 0.00 1.13 -0.29 0.00 0.02 0.00 0.00 55.97 56.83 1k5q s LYS 417 Cb 0.00 -2.64 -0.12 0.00 -0.52 0.00 0.00 37.83 34.55 1k5q s LYS 417 CO 0.00 0.22 1.52 -2.30 -0.92 0.00 0.00 175.35 173.87 1k5q n PRO 418 N 0.23 2.59 -0.30 -1.68 -0.02 -1.26 -4.84 135.00 129.73 1k5q n PRO 418 Ca 0.02 0.92 -0.01 0.00 -2.02 0.00 0.00 63.50 62.41 1k5q n PRO 418 Cb 0.51 -2.66 0.11 0.00 -0.02 0.00 0.00 33.50 31.45 1k5q n PRO 418 CO 0.00 0.00 0.00 1.96 1.98 0.00 0.00 175.50 179.44 1k5q h GLN 419 N 3.99 0.99 -0.70 -0.52 4.20 -1.94 -2.31 115.11 118.82 1k5q h GLN 419 Ca -0.48 -0.06 0.12 0.00 0.06 0.00 0.00 58.65 58.29 1k5q h GLN 419 Cb 1.24 -0.22 -0.08 0.00 0.30 0.00 0.00 27.48 28.71 1k5q h GLN 419 CO 0.73 0.66 0.29 0.37 -0.67 0.00 0.00 178.83 180.21 1k5q h GLN 420 N 1.02 0.46 -0.51 1.46 4.15 -1.96 0.31 115.11 120.04 1k5q h GLN 420 Ca 0.34 -0.03 -0.01 0.00 0.77 0.00 0.00 58.65 59.72 1k5q h GLN 420 Cb 0.04 -0.10 -0.02 0.00 0.21 0.00 0.00 27.48 27.60 1k5q h GLN 420 CO -0.12 0.30 0.26 1.49 -1.93 0.00 0.00 178.83 178.83 1k5q h GLU 421 N 0.47 0.72 -0.35 1.69 4.81 -1.79 0.54 114.58 120.67 1k5q h GLU 421 Ca 0.37 -0.10 -0.06 0.00 -0.13 0.00 0.00 59.36 59.44 1k5q h GLU 421 Cb 0.49 -0.14 -0.01 0.00 0.63 0.00 0.00 28.75 29.73 1k5q h GLU 421 CO -0.34 0.58 -0.02 0.28 -0.73 0.00 0.00 179.01 178.77 1k5q h VAL 422 N 0.68 1.27 -0.68 0.32 2.07 -1.13 0.83 116.25 119.60 1k5q h VAL 422 Ca 0.18 -1.03 -0.00 0.00 0.82 0.00 0.00 66.70 66.66 1k5q h VAL 422 Cb 0.08 1.23 -0.03 0.00 -1.52 0.00 0.00 31.29 31.05 1k5q h VAL 422 CO -0.03 0.34 0.42 0.58 0.02 0.00 0.00 177.57 178.90 1k5q h VAL 423 N 0.45 1.19 -0.73 2.57 2.07 -0.66 -1.47 116.25 119.67 1k5q h VAL 423 Ca 0.10 -0.42 -0.07 0.00 0.82 0.00 0.00 66.70 67.14 1k5q h VAL 423 Cb 0.50 0.24 -0.03 0.00 -1.52 0.00 0.00 31.29 30.48 1k5q h VAL 423 CO 0.02 0.20 0.20 -0.07 0.02 0.00 0.00 177.57 177.94 1k5q h LEU 424 N 0.93 1.09 -0.96 2.57 3.38 0.35 -1.18 115.31 121.48 1k5q h LEU 424 Ca 0.25 -0.22 -0.04 0.00 0.09 0.00 0.00 57.88 57.95 1k5q h LEU 424 Cb -0.04 -0.29 -0.03 0.00 0.09 0.00 0.00 40.66 40.39 1k5q h LEU 424 CO -0.05 1.02 0.24 0.00 0.09 0.00 0.00 178.44 179.75 1k5q h ALA 425 N 1.11 1.17 -0.21 1.53 0.00 -0.35 -1.16 119.26 121.35 1k5q h ALA 425 Ca 0.23 -0.19 -0.14 0.00 0.00 0.00 0.00 54.91 54.82 1k5q h ALA 425 Cb 0.35 -0.26 -0.01 0.00 0.00 0.00 0.00 17.79 17.87 1k5q h ALA 425 CO -0.00 0.59 -0.44 0.00 0.00 0.00 0.00 179.25 179.40 1k5q h ALA 426 N 1.29 0.84 -0.44 0.00 0.00 -1.06 -1.92 119.26 117.98 1k5q h ALA 426 Ca 0.22 -0.45 -0.08 0.00 0.00 0.00 0.00 54.91 54.59 1k5q h ALA 426 Cb 0.23 -0.10 -0.02 0.00 0.00 0.00 0.00 17.79 17.90 1k5q h ALA 426 CO -0.01 0.65 -0.07 -0.07 0.00 0.00 0.00 179.25 179.75 1k5q h LEU 427 N 0.42 0.74 -0.56 0.00 3.38 -0.65 -0.57 115.31 118.08 1k5q h LEU 427 Ca 0.03 -0.20 -0.05 0.00 0.09 0.00 0.00 57.88 57.75 1k5q h LEU 427 Cb 0.94 -0.20 -0.02 0.00 0.09 0.00 0.00 40.66 41.47 1k5q h LEU 427 CO 0.08 0.85 0.15 -0.08 0.09 0.00 0.00 178.44 179.53 1k5q h GLU 428 N 0.70 0.89 -0.56 1.13 4.81 -0.93 0.19 114.58 120.80 1k5q h GLU 428 Ca 0.13 -0.21 -0.08 0.00 -0.13 0.00 0.00 59.36 59.07 1k5q h GLU 428 Cb 0.52 -0.12 -0.02 0.00 0.63 0.00 0.00 28.75 29.76 1k5q h GLU 428 CO 0.03 0.83 0.05 -0.44 -0.73 0.00 0.00 179.01 178.74 1k5q h ASP 429 N 0.80 0.89 0.19 1.04 3.32 -1.06 -1.04 116.42 120.56 1k5q h ASP 429 Ca 0.18 -0.21 -0.01 0.00 0.02 0.00 0.00 57.03 57.00 1k5q h ASP 429 Cb 0.33 -0.24 0.00 0.00 0.22 0.00 0.00 39.33 39.65 1k5q h ASP 429 CO 0.00 0.93 -0.09 0.74 -1.72 0.00 0.00 179.24 179.09 1k5q h THR 430 N 0.87 0.86 -0.84 0.35 2.02 -0.46 0.06 112.91 115.77 1k5q h THR 430 Ca 0.17 -0.25 -0.01 0.00 0.77 0.00 0.00 66.41 67.09 1k5q h THR 430 Cb 0.45 1.01 -0.04 0.00 -1.74 0.00 0.00 68.15 67.83 1k5q h THR 430 CO 0.02 0.06 0.49 -0.25 0.37 0.00 0.00 175.52 176.20 1k5q h TRP 431 N -0.37 1.13 0.45 3.16 2.91 -0.86 0.26 115.95 122.62 1k5q h TRP 431 Ca -0.03 -0.01 -0.02 0.00 1.13 0.00 0.00 58.89 59.96 1k5q h TRP 431 Cb 0.29 -0.37 0.00 0.00 -0.51 0.00 0.00 29.16 28.58 1k5q h TRP 431 CO -0.03 0.77 -0.21 1.49 -1.03 0.00 0.00 178.44 179.42 1k5q h GLU 432 N 1.17 -0.58 0.05 2.65 4.57 -0.98 0.17 114.58 121.63 1k5q h GLU 432 Ca 0.30 0.04 0.01 0.00 -1.18 0.00 0.00 59.36 58.53 1k5q h GLU 432 Cb -0.01 0.13 -0.02 0.00 -0.16 0.00 0.00 28.75 28.69 1k5q h GLU 432 CO -0.05 -0.32 -0.12 1.15 -1.18 0.00 0.00 179.01 178.49 1k5q h THR 433 N -0.74 0.71 -0.09 0.32 2.02 -0.74 -1.85 112.91 112.53 1k5q h THR 433 Ca -0.06 0.00 -0.16 0.00 0.77 0.00 0.00 66.41 66.96 1k5q h THR 433 Cb 0.53 0.71 0.01 0.00 -1.74 0.00 0.00 68.15 67.66 1k5q h THR 433 CO 0.10 0.00 -0.55 -0.07 0.37 0.00 0.00 175.52 175.37 1k5q h LEU 434 N -0.23 0.65 -1.31 2.58 3.38 -0.97 -2.97 115.31 116.44 1k5q h LEU 434 Ca 0.03 -0.66 -0.06 0.00 0.09 0.00 0.00 57.88 57.29 1k5q h LEU 434 Cb 0.26 -0.19 -0.01 0.00 0.09 0.00 0.00 40.66 40.80 1k5q h LEU 434 CO -0.08 1.20 -0.13 0.77 0.09 0.00 0.00 178.44 180.29 1k5q h SER 435 N 0.14 0.29 1.17 -0.43 4.64 -0.67 0.33 113.55 119.03 1k5q h SER 435 Ca -0.04 -0.06 -0.04 0.00 -0.47 0.00 0.00 61.79 61.18 1k5q h SER 435 Cb 1.20 -0.08 -0.01 0.00 -0.31 0.00 0.00 62.40 63.21 1k5q h SER 435 CO 0.11 0.45 -0.17 0.50 -0.87 0.00 0.00 176.83 176.86 1k5q h LYS 436 N 0.29 0.00 0.06 4.77 3.64 -1.37 0.73 116.57 124.69 1k5q h LYS 436 Ca 0.06 0.00 -0.37 0.00 -1.27 0.00 0.00 60.65 59.07 1k5q h LYS 436 Cb 0.41 0.00 -0.04 0.00 -0.41 0.00 0.00 32.23 32.18 1k5q h LYS 436 CO 0.02 0.17 -2.19 -2.13 -2.27 0.00 0.00 179.45 173.05 1k5q n ARG 437 N -3.26 0.70 0.00 1.90 0.63 -0.52 -4.60 116.66 111.52 1k5q n ARG 437 Ca 0.01 0.20 0.06 0.00 -0.92 0.00 0.00 57.85 57.20 1k5q n ARG 437 Cb 0.45 -1.63 -0.01 0.00 0.45 0.00 0.00 32.46 31.72 1k5q n ARG 437 CO 0.00 0.00 0.00 0.66 -2.51 0.00 0.00 177.63 175.78 1k5q n TYR 438 N -3.30 0.00 0.00 -0.14 4.01 0.11 -5.11 117.16 112.73 1k5q n TYR 438 Ca -0.36 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.38 1k5q n TYR 438 Cb 1.03 0.00 0.00 0.00 -0.31 0.00 0.00 39.34 40.06 1k5q n TYR 438 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 1k5q n GLY 439 N 1.03 0.26 0.26 2.72 0.00 0.25 -4.71 105.19 104.99 1k5q n GLY 439 Ca 0.04 -1.98 0.13 0.00 0.00 0.00 0.00 46.02 44.21 1k5q n GLY 439 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1k5q n ASN 440 N -0.27 1.04 -4.33 1.61 4.13 -1.26 -4.26 115.26 111.93 1k5q n ASN 440 Ca 0.00 -0.92 -0.46 0.00 1.68 0.00 0.00 54.58 54.88 1k5q n ASN 440 Cb 0.00 0.12 -0.04 0.00 -1.54 0.00 0.00 39.78 38.32 1k5q n ASN 440 CO 0.00 0.00 0.00 0.21 0.28 0.00 0.00 177.26 177.75 1k5q s ASN 441 N -2.47 6.45 0.38 6.41 3.84 -1.26 -4.92 114.94 123.36 1k5q s ASN 441 Ca 0.25 -2.14 0.08 0.00 0.21 0.00 0.00 52.86 51.26 1k5q s ASN 441 Cb 0.19 -2.23 0.82 0.00 -0.55 0.00 0.00 41.25 39.49 1k5q s ASN 441 CO 0.51 -0.77 1.96 0.58 -2.79 0.00 0.00 177.10 176.58 1k5q h VAL 442 N 5.43 0.98 0.00 -5.21 2.07 -1.94 -2.30 116.25 115.29 1k5q h VAL 442 Ca -0.11 -0.23 0.00 0.00 0.82 0.00 0.00 66.70 67.18 1k5q h VAL 442 Cb 1.07 0.26 0.00 0.00 -1.52 0.00 0.00 31.29 31.10 1k5q h VAL 442 CO 0.93 0.12 0.00 0.77 0.02 0.00 0.00 177.57 179.41 1k5q h SER 443 N 0.66 0.00 -0.24 0.57 4.64 -1.99 -0.69 113.55 116.50 1k5q h SER 443 Ca 0.31 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.63 1k5q h SER 443 Cb 0.35 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.44 1k5q h SER 443 CO -0.10 0.00 0.00 -0.46 -0.87 0.00 0.00 176.83 175.40 1k5q n ASN 444 N -2.95 3.28 -4.68 4.97 0.23 -0.86 -4.99 115.26 110.26 1k5q n ASN 444 Ca -0.02 -2.63 -0.42 0.00 -0.53 0.00 0.00 54.58 50.97 1k5q n ASN 444 Cb 0.09 -0.39 -0.03 0.00 -2.08 0.00 0.00 39.78 37.37 1k5q n ASN 444 CO 0.00 0.00 0.00 0.26 -0.93 0.00 0.00 177.26 176.59 1k5q s TRP 445 N -2.13 2.49 -0.53 -2.53 0.52 -0.27 -4.96 118.94 111.52 1k5q s TRP 445 Ca 0.32 0.51 0.03 0.00 0.02 0.00 0.00 56.10 56.98 1k5q s TRP 445 Cb 0.24 -3.82 0.13 0.00 -1.15 0.00 0.00 33.47 28.88 1k5q s TRP 445 CO 0.10 -3.22 0.28 0.15 0.02 0.00 0.00 176.95 174.28 1k5q s LYS 446 N 2.95 2.05 0.39 4.98 1.02 -1.26 -4.64 119.74 125.22 1k5q s LYS 446 Ca 0.69 -2.63 -0.16 0.00 0.02 0.00 0.00 55.97 53.89 1k5q s LYS 446 Cb -0.34 -3.36 -0.09 0.00 -0.52 0.00 0.00 37.83 33.52 1k5q s LYS 446 CO 0.29 -1.12 0.82 0.95 -0.92 0.00 0.00 175.35 175.37 1k5q s THR 447 N -0.30 4.62 0.24 2.17 -4.23 -1.26 -4.86 115.64 112.02 1k5q s THR 447 Ca 0.17 1.04 -0.30 0.00 -1.18 0.00 0.00 61.69 61.42 1k5q s THR 447 Cb -0.25 -3.64 -0.10 0.00 1.34 0.00 0.00 72.50 69.84 1k5q s THR 447 CO -0.01 -0.34 1.52 -2.84 -0.54 0.00 0.00 174.62 172.41 1k5q s PRO 448 N -3.33 4.21 0.45 3.99 0.02 -1.26 -0.93 135.00 138.14 1k5q s PRO 448 Ca 0.56 2.40 -0.02 0.00 0.02 0.00 0.00 61.00 63.96 1k5q s PRO 448 Cb -0.10 -3.10 -0.02 0.00 0.02 0.00 0.00 34.50 31.30 1k5q s PRO 448 CO 0.21 -0.54 0.70 0.00 -0.33 0.00 0.00 177.00 177.04 1k5q s ALA 449 N 0.34 3.58 0.18 -1.55 0.00 -0.79 -4.66 121.76 118.86 1k5q s ALA 449 Ca 0.64 -0.80 -0.22 0.00 0.00 0.00 0.00 51.96 51.58 1k5q s ALA 449 Cb -0.44 -2.32 -0.08 0.00 0.00 0.00 0.00 23.12 20.28 1k5q s ALA 449 CO 0.41 -0.32 0.73 -1.64 0.00 0.00 0.00 175.76 174.94 1k5q s MET 450 N -4.59 4.37 0.52 0.00 -1.94 -1.26 -4.93 119.30 111.47 1k5q s MET 450 Ca 0.46 0.97 0.08 0.00 -1.71 0.00 0.00 55.69 55.49 1k5q s MET 450 Cb -0.10 -3.07 0.05 0.00 2.01 0.00 0.00 34.83 33.72 1k5q s MET 450 CO 0.40 0.49 0.63 0.00 -0.01 0.00 0.00 175.02 176.53 1k5q s ALA 451 N -1.33 4.55 -0.01 3.03 0.00 -1.25 -0.92 121.76 125.82 1k5q s ALA 451 Ca 0.39 -1.86 0.05 0.00 0.00 0.00 0.00 51.96 50.53 1k5q s ALA 451 Cb -0.19 -1.31 -0.01 0.00 0.00 0.00 0.00 23.12 21.61 1k5q s ALA 451 CO 0.23 -0.59 -0.16 -1.17 0.00 0.00 0.00 175.76 174.07 1k5q s LEU 452 N -4.47 2.02 -0.09 0.00 0.20 0.13 -4.17 118.68 112.31 1k5q s LEU 452 Ca 0.54 -0.28 0.02 0.00 0.69 0.00 0.00 54.13 55.09 1k5q s LEU 452 Cb -0.06 -0.80 0.01 0.00 -0.43 0.00 0.00 46.19 44.91 1k5q s LEU 452 CO 0.33 0.19 -0.13 -0.89 -0.29 0.00 0.00 176.35 175.56 1k5q s THR 453 N -0.34 1.26 -0.70 3.68 2.01 -1.22 -1.00 115.64 119.34 1k5q s THR 453 Ca 0.05 -0.52 -0.23 0.00 0.31 0.00 0.00 61.69 61.30 1k5q s THR 453 Cb -0.06 -1.16 0.07 0.00 0.01 0.00 0.00 72.50 71.35 1k5q s THR 453 CO -0.00 0.39 1.04 -0.36 -0.69 0.00 0.00 174.62 174.99 1k5q s PHE 454 N 0.88 2.64 0.40 4.92 0.40 0.54 -4.41 117.98 123.35 1k5q s PHE 454 Ca -0.10 -0.54 -0.23 0.00 -0.60 0.00 0.00 56.93 55.46 1k5q s PHE 454 Cb -0.15 -4.35 -0.09 0.00 0.51 0.00 0.00 43.02 38.93 1k5q s PHE 454 CO 0.01 -1.71 1.02 1.03 0.70 0.00 0.00 175.22 176.26 1k5q s ARG 455 N 4.25 4.20 0.33 0.44 0.52 -0.03 -2.01 118.95 126.65 1k5q s ARG 455 Ca 0.25 1.41 0.25 0.00 -0.52 0.00 0.00 55.73 57.12 1k5q s ARG 455 Cb -0.14 -2.48 0.56 0.00 0.52 0.00 0.00 34.95 33.41 1k5q s ARG 455 CO 0.09 -0.09 1.68 0.00 0.02 0.00 0.00 175.30 177.00 1k5q h ALA 456 N 2.41 0.99 -2.84 2.13 0.00 -1.88 0.36 119.26 120.43 1k5q h ALA 456 Ca -0.48 0.00 -0.64 0.00 0.00 0.00 0.00 54.91 53.78 1k5q h ALA 456 Cb 1.21 0.00 -0.08 0.00 0.00 0.00 0.00 17.79 18.91 1k5q h ALA 456 CO 0.62 0.00 -0.46 -0.80 0.00 0.00 0.00 179.25 178.61 1k5q s ASN 457 N -5.39 6.37 1.11 0.00 0.01 -1.26 -0.55 114.94 115.22 1k5q s ASN 457 Ca 0.09 0.43 -0.15 0.00 -0.71 0.00 0.00 52.86 52.52 1k5q s ASN 457 Cb 0.09 -2.09 0.24 0.00 0.41 0.00 0.00 41.25 39.89 1k5q s ASN 457 CO 0.64 0.32 1.09 0.54 -1.51 0.00 0.00 177.10 178.18 1k5q s ASN 458 N -0.56 1.71 0.52 -1.22 2.20 0.12 -4.73 114.94 112.98 1k5q s ASN 458 Ca 0.14 0.95 0.27 0.00 -0.94 0.00 0.00 52.86 53.27 1k5q s ASN 458 Cb -0.12 -1.45 1.45 0.00 -2.00 0.00 0.00 41.25 39.13 1k5q s ASN 458 CO 0.03 -3.67 1.79 2.19 -2.94 0.00 0.00 177.10 174.50 1k5q h PHE 459 N -2.27 0.00 0.00 1.54 -5.15 -1.88 0.63 116.94 109.82 1k5q h PHE 459 Ca -0.51 0.00 0.00 0.00 -0.20 0.00 0.00 57.97 57.26 1k5q h PHE 459 Cb 1.32 0.00 0.00 0.00 0.22 0.00 0.00 35.95 37.49 1k5q h PHE 459 CO -0.76 0.00 0.00 1.19 -2.00 0.00 0.00 178.31 176.74 1k5q n PHE 460 N -2.60 0.37 -0.63 6.09 3.01 -1.26 -4.86 117.46 117.58 1k5q n PHE 460 Ca -0.02 0.12 0.00 0.00 1.01 0.00 0.00 57.45 58.56 1k5q n PHE 460 Cb 0.26 -0.69 0.00 0.00 -0.01 0.00 0.00 39.48 39.04 1k5q n PHE 460 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 1k5q n GLY 461 N 1.02 0.67 3.75 1.37 0.00 0.22 -5.05 105.19 107.17 1k5q n GLY 461 Ca 0.05 -0.13 -0.36 0.00 0.00 0.00 0.00 46.02 45.58 1k5q n GLY 461 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1k5q s VAL 462 N -2.00 5.35 0.11 1.61 1.01 -1.24 -4.80 120.40 120.45 1k5q s VAL 462 Ca 0.00 0.40 -0.33 0.00 0.00 0.00 0.00 61.98 62.05 1k5q s VAL 462 Cb 0.00 -3.55 -0.13 0.00 0.00 0.00 0.00 36.38 32.70 1k5q s VAL 462 CO 0.00 0.44 1.69 -2.65 0.00 0.00 0.00 175.10 174.58 1k5q n PRO 463 N 3.30 2.31 -0.02 2.72 -0.02 -1.26 0.15 135.00 142.17 1k5q n PRO 463 Ca -0.14 0.84 0.02 0.00 -2.02 0.00 0.00 63.50 62.20 1k5q n PRO 463 Cb 0.52 -2.65 0.03 0.00 -0.02 0.00 0.00 33.50 31.39 1k5q n PRO 463 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1k5q n GLN 464 N 4.42 2.60 -3.64 -0.52 10.64 0.29 -4.80 117.38 126.37 1k5q n GLN 464 Ca 0.18 -1.74 -0.02 0.00 -1.83 0.00 0.00 57.00 53.58 1k5q n GLN 464 Cb 0.31 -1.11 -0.01 0.00 -0.86 0.00 0.00 30.24 28.56 1k5q n GLN 464 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.06 175.23 1k5q s ALA 465 N -1.43 -1.99 0.63 2.61 0.00 -0.98 -4.58 121.76 116.02 1k5q s ALA 465 Ca 0.07 0.73 -0.16 0.00 0.00 0.00 0.00 51.96 52.61 1k5q s ALA 465 Cb 0.06 0.36 -0.01 0.00 0.00 0.00 0.00 23.12 23.53 1k5q s ALA 465 CO 0.01 -0.92 1.11 0.00 0.00 0.00 0.00 175.76 175.95 1k5q s ALA 466 N -2.76 2.54 0.21 0.00 0.00 -1.26 -4.78 121.76 115.71 1k5q s ALA 466 Ca 0.12 0.57 -0.09 0.00 0.00 0.00 0.00 51.96 52.55 1k5q s ALA 466 Cb 0.01 -3.31 0.27 0.00 0.00 0.00 0.00 23.12 20.09 1k5q s ALA 466 CO -0.03 -1.13 1.78 0.00 0.00 0.00 0.00 175.76 176.38 1k5q h ALA 467 N 0.26 0.87 0.00 0.00 0.00 -2.01 0.48 119.26 118.86 1k5q h ALA 467 Ca -0.47 0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.48 1k5q h ALA 467 Cb 1.24 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.98 1k5q h ALA 467 CO 0.55 -0.06 0.14 1.05 0.00 0.00 0.00 179.25 180.94 1k5q h GLU 468 N 0.57 0.00 -0.00 0.00 4.11 -2.01 -1.69 114.58 115.56 1k5q h GLU 468 Ca 0.31 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.74 1k5q h GLU 468 Cb 0.28 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.53 1k5q h GLU 468 CO -0.23 0.00 -0.01 0.39 0.07 0.00 0.00 179.01 179.23 1k5q n GLU 469 N -2.70 0.80 -1.87 1.06 1.02 0.16 -4.83 120.64 114.29 1k5q n GLU 469 Ca -0.02 -0.04 -0.41 0.00 -0.02 0.00 0.00 57.16 56.67 1k5q n GLU 469 Cb 0.19 -1.50 -0.01 0.00 -0.02 0.00 0.00 31.44 30.10 1k5q n GLU 469 CO 0.00 0.00 0.00 0.99 1.18 0.00 0.00 177.13 179.30 1k5q s THR 470 N -2.23 2.23 0.17 2.62 2.01 -0.64 -4.86 115.64 114.93 1k5q s THR 470 Ca 0.40 0.21 0.10 0.00 0.31 0.00 0.00 61.69 62.71 1k5q s THR 470 Cb 0.21 -3.13 -0.04 0.00 0.01 0.00 0.00 72.50 69.55 1k5q s THR 470 CO 0.41 0.04 -0.20 -0.13 -0.69 0.00 0.00 174.62 174.05 1k5q s ARG 471 N -1.37 1.66 0.08 4.92 1.81 -0.85 -4.98 118.95 120.22 1k5q s ARG 471 Ca 0.56 -1.38 0.07 0.00 -1.72 0.00 0.00 55.73 53.27 1k5q s ARG 471 Cb -0.45 -1.97 -0.03 0.00 -0.45 0.00 0.00 34.95 32.05 1k5q s ARG 471 CO 0.55 0.43 -0.19 -1.01 -0.68 0.00 0.00 175.30 174.39 1k5q s HIS 472 N -1.47 1.67 -0.05 -0.53 3.76 -1.26 -0.34 115.29 117.07 1k5q s HIS 472 Ca 0.20 -0.41 -0.01 0.00 -0.15 0.00 0.00 55.06 54.68 1k5q s HIS 472 Cb -0.09 -0.94 0.03 0.00 1.11 0.00 0.00 32.58 32.69 1k5q s HIS 472 CO 0.10 0.15 0.03 -1.14 -0.85 0.00 0.00 174.74 173.03 1k5q s GLN 473 N -1.70 0.28 0.17 1.40 0.74 -0.17 -4.99 119.66 115.39 1k5q s GLN 473 Ca 0.05 0.22 -0.22 0.00 0.05 0.00 0.00 55.36 55.47 1k5q s GLN 473 Cb -0.10 -0.72 0.07 0.00 1.10 0.00 0.00 33.01 33.37 1k5q s GLN 473 CO 0.03 -0.30 1.61 0.00 -0.55 0.00 0.00 175.29 176.09 1k5q h ALA 474 N 8.26 -0.09 -2.34 1.58 0.00 -1.90 0.40 119.26 125.17 1k5q h ALA 474 Ca -0.19 0.11 -0.63 0.00 0.00 0.00 0.00 54.91 54.20 1k5q h ALA 474 Cb 1.12 0.63 -0.14 0.00 0.00 0.00 0.00 17.79 19.40 1k5q h ALA 474 CO 0.24 -0.67 0.11 -2.00 0.00 0.00 0.00 179.25 176.92 1k5q s GLU 475 N -6.05 3.66 0.37 0.00 2.12 -1.26 -3.86 118.70 113.68 1k5q s GLU 475 Ca -0.15 0.00 -0.27 0.00 0.36 0.00 0.00 54.97 54.92 1k5q s GLU 475 Cb 0.14 -3.81 -0.09 0.00 0.26 0.00 0.00 34.13 30.62 1k5q s GLU 475 CO 0.69 -0.73 1.28 -0.47 -0.54 0.00 0.00 175.26 175.49 1k5q s TYR 476 N 2.66 2.96 -0.07 5.30 5.04 -0.10 -4.51 117.35 128.63 1k5q s TYR 476 Ca 0.23 1.44 -0.01 0.00 -2.44 0.00 0.00 57.07 56.29 1k5q s TYR 476 Cb -0.15 -3.63 0.03 0.00 0.35 0.00 0.00 41.96 38.56 1k5q s TYR 476 CO 0.15 -1.86 -0.01 -0.65 -1.34 0.00 0.00 175.55 171.84 1k5q s GLN 477 N -2.05 0.69 -1.30 4.97 -0.21 -1.26 -4.89 119.66 115.61 1k5q s GLN 477 Ca 0.53 0.06 -0.18 0.00 0.02 0.00 0.00 55.36 55.79 1k5q s GLN 477 Cb -0.38 -0.99 0.05 0.00 1.00 0.00 0.00 33.01 32.70 1k5q s GLN 477 CO 0.49 -0.27 1.79 -1.71 -2.12 0.00 0.00 175.29 173.47 1k5q n ASN 478 N 4.98 4.69 -3.30 5.90 5.15 -0.05 -4.84 115.26 127.79 1k5q n ASN 478 Ca -0.10 -2.89 -0.16 0.00 -0.60 0.00 0.00 54.58 50.83 1k5q n ASN 478 Cb 0.50 -1.74 -0.05 0.00 -0.53 0.00 0.00 39.78 37.96 1k5q n ASN 478 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 1k5q s ARG 479 N 4.33 1.86 0.46 1.20 1.70 -1.26 -3.39 118.95 123.85 1k5q s ARG 479 Ca 0.55 -1.81 -0.23 0.00 -0.47 0.00 0.00 55.73 53.76 1k5q s ARG 479 Cb 0.04 0.41 -0.07 0.00 -0.57 0.00 0.00 34.95 34.77 1k5q s ARG 479 CO 0.07 -0.75 1.23 0.20 -1.08 0.00 0.00 175.30 174.97 1k5q s GLY 480 N -3.27 2.83 0.44 3.88 0.00 -1.26 -4.76 107.32 105.19 1k5q s GLY 480 Ca 0.33 1.06 0.17 0.00 0.00 0.00 0.00 44.72 46.29 1k5q s GLY 480 CO 0.22 1.56 1.93 -0.84 0.00 0.00 0.00 173.10 175.96 1k5q h THR 481 N 1.91 0.78 -3.91 0.90 2.02 0.36 -3.40 112.91 111.57 1k5q h THR 481 Ca -0.50 -0.12 -0.22 0.00 0.77 0.00 0.00 66.41 66.35 1k5q h THR 481 Cb 1.26 0.40 -0.16 0.00 -1.74 0.00 0.00 68.15 67.91 1k5q h THR 481 CO 0.60 0.06 -0.70 -1.83 0.37 0.00 0.00 175.52 174.02 1k5q s GLU 482 N -5.34 0.73 -0.02 6.66 4.04 -1.25 -4.70 118.70 118.82 1k5q s GLU 482 Ca -0.07 -1.19 0.02 0.00 0.04 0.00 0.00 54.97 53.76 1k5q s GLU 482 Cb 0.21 -0.15 0.01 0.00 0.02 0.00 0.00 34.13 34.21 1k5q s GLU 482 CO 0.76 -0.02 -0.06 -0.80 -1.84 0.00 0.00 175.26 173.31 1k5q s ASN 483 N -2.71 0.83 0.02 0.83 -0.87 -1.25 -3.84 114.94 107.95 1k5q s ASN 483 Ca 0.06 -0.12 0.01 0.00 -1.57 0.00 0.00 52.86 51.24 1k5q s ASN 483 Cb 0.02 -0.24 -0.02 0.00 -0.02 0.00 0.00 41.25 41.00 1k5q s ASN 483 CO -0.04 0.02 -0.05 1.51 -2.57 0.00 0.00 177.10 175.97 1k5q s ASP 484 N 0.30 0.50 -0.02 -1.22 -4.77 -1.08 -2.08 116.67 108.31 1k5q s ASP 484 Ca -0.04 -0.37 0.01 0.00 -3.30 0.00 0.00 52.55 48.85 1k5q s ASP 484 Cb -0.08 0.03 0.01 0.00 -1.09 0.00 0.00 42.92 41.80 1k5q s ASP 484 CO -0.00 -0.16 -0.03 -0.32 0.70 0.00 0.00 175.17 175.37 1k5q s MET 485 N -1.05 0.40 -0.09 2.11 1.75 0.32 -2.02 119.30 120.72 1k5q s MET 485 Ca -0.08 -0.06 0.04 0.00 -1.25 0.00 0.00 55.69 54.34 1k5q s MET 485 Cb -0.07 -0.46 -0.00 0.00 2.84 0.00 0.00 34.83 37.14 1k5q s MET 485 CO -0.00 -0.01 -0.23 0.42 -0.65 0.00 0.00 175.02 174.55 1k5q s ILE 486 N 0.44 1.93 -0.21 10.11 1.09 -0.34 -1.07 121.20 133.16 1k5q s ILE 486 Ca -0.05 -0.96 0.02 0.00 -1.10 0.00 0.00 60.65 58.56 1k5q s ILE 486 Cb -0.08 -1.67 0.04 0.00 -1.06 0.00 0.00 42.46 39.69 1k5q s ILE 486 CO -0.01 0.53 -0.16 -0.69 -0.10 0.00 0.00 174.94 174.51 1k5q s VAL 487 N 0.28 2.08 0.04 2.92 1.01 0.14 -0.81 120.40 126.06 1k5q s VAL 487 Ca -0.15 -1.20 -0.13 0.00 0.00 0.00 0.00 61.98 60.50 1k5q s VAL 487 Cb -0.17 -2.01 -0.06 0.00 0.00 0.00 0.00 36.38 34.15 1k5q s VAL 487 CO 0.07 0.32 0.42 -0.36 0.00 0.00 0.00 175.10 175.55 1k5q s PHE 488 N 1.22 3.67 -1.33 5.22 0.08 -0.04 -0.77 117.98 126.02 1k5q s PHE 488 Ca -0.00 0.93 -0.04 0.00 0.12 0.00 0.00 56.93 57.94 1k5q s PHE 488 Cb -0.16 -2.25 -0.00 0.00 -0.57 0.00 0.00 43.02 40.04 1k5q s PHE 488 CO -0.10 0.58 0.54 0.43 -0.10 0.00 0.00 175.22 176.57 1k5q n SER 489 N 1.40 -1.45 -4.76 1.36 7.64 0.70 -1.37 113.62 117.14 1k5q n SER 489 Ca -0.11 -0.98 -0.41 0.00 1.01 0.00 0.00 58.87 58.38 1k5q n SER 489 Cb 0.52 -3.27 -0.01 0.00 -1.01 0.00 0.00 64.21 60.44 1k5q n SER 489 CO 0.00 0.00 0.00 -2.16 -3.01 0.00 0.00 175.04 169.87 1k5q s PRO 490 N -6.35 4.21 0.44 1.43 0.04 -1.26 -3.86 135.00 129.65 1k5q s PRO 490 Ca 0.10 2.41 0.24 0.00 0.04 0.00 0.00 61.00 63.80 1k5q s PRO 490 Cb -0.04 -3.04 0.49 0.00 0.04 0.00 0.00 34.50 31.95 1k5q s PRO 490 CO 0.87 -0.44 1.66 1.79 0.04 0.00 0.00 177.00 180.93 1k5q h THR 491 N 3.22 0.00 -0.37 1.26 1.35 -1.46 -3.27 112.91 113.64 1k5q h THR 491 Ca -0.48 -0.91 0.00 0.00 -0.55 0.00 0.00 66.41 64.47 1k5q h THR 491 Cb 1.23 1.91 0.00 0.00 -1.73 0.00 0.00 68.15 69.55 1k5q h THR 491 CO 0.71 0.00 0.00 0.35 -0.25 0.00 0.00 175.52 176.33 1k5q n THR 492 N -3.05 0.48 -4.45 6.82 -2.24 -1.26 -4.95 114.28 105.64 1k5q n THR 492 Ca 0.04 -0.63 -0.24 0.00 -2.27 0.00 0.00 64.05 60.94 1k5q n THR 492 Cb 0.50 0.65 -0.10 0.00 -2.10 0.00 0.00 70.33 69.28 1k5q n THR 492 CO 0.00 0.00 0.00 -0.55 -0.57 0.00 0.00 175.07 173.95 1k5q s SER 493 N -1.39 3.75 0.00 3.42 0.15 -1.24 -5.01 113.70 113.39 1k5q s SER 493 Ca 0.37 -1.00 0.23 0.00 0.70 0.00 0.00 55.95 56.25 1k5q s SER 493 Cb 0.20 -0.38 0.63 0.00 -1.71 0.00 0.00 66.02 64.76 1k5q s SER 493 CO 0.29 -0.01 1.50 -0.90 1.20 0.00 0.00 173.24 175.32 1k5q n ASP 494 N -0.69 2.33 -4.82 5.45 3.85 -1.26 -4.87 116.55 116.54 1k5q n ASP 494 Ca -0.05 -1.80 -0.33 0.00 -0.71 0.00 0.00 54.79 51.90 1k5q n ASP 494 Cb 0.60 -0.11 -0.06 0.00 -1.35 0.00 0.00 41.12 40.20 1k5q n ASP 494 CO 0.00 0.00 0.00 -0.13 -1.01 0.00 0.00 177.20 176.06 1k5q s ARG 495 N -1.78 3.17 0.00 0.11 1.81 -1.26 -4.98 118.95 116.02 1k5q s ARG 495 Ca 0.34 -0.45 0.16 0.00 -1.72 0.00 0.00 55.73 54.07 1k5q s ARG 495 Cb 0.20 -2.93 0.84 0.00 -0.45 0.00 0.00 34.95 32.61 1k5q s ARG 495 CO 0.30 0.65 1.46 -2.30 -0.68 0.00 0.00 175.30 174.73 1k5q n PRO 496 N 1.05 0.26 -3.53 3.54 -0.02 -1.26 -4.41 135.00 130.61 1k5q n PRO 496 Ca -0.12 0.12 -0.18 0.00 -2.02 0.00 0.00 63.50 61.30 1k5q n PRO 496 Cb 0.53 -1.50 -0.06 0.00 -0.02 0.00 0.00 33.50 32.44 1k5q n PRO 496 CO 0.00 0.00 0.00 0.54 1.98 0.00 0.00 175.50 178.02 1k5q s VAL 497 N -2.52 0.00 0.04 -1.45 0.11 -1.26 -0.21 120.40 115.12 1k5q s VAL 497 Ca 0.16 -0.03 0.05 0.00 -2.93 0.00 0.00 61.98 59.24 1k5q s VAL 497 Cb 0.11 -0.98 -0.02 0.00 -1.53 0.00 0.00 36.38 33.96 1k5q s VAL 497 CO 0.24 -0.01 -0.14 -0.76 -3.33 0.00 0.00 175.10 171.09 1k5q s LEU 498 N -1.19 2.19 0.01 2.54 1.43 0.05 -4.97 118.68 118.73 1k5q s LEU 498 Ca -0.11 -0.48 -0.08 0.00 -1.03 0.00 0.00 54.13 52.43 1k5q s LEU 498 Cb -0.00 -0.61 0.00 0.00 0.03 0.00 0.00 46.19 45.61 1k5q s LEU 498 CO 0.10 0.02 0.15 0.00 0.23 0.00 0.00 176.35 176.85 1k5q s ALA 499 N -0.91 -0.33 0.04 4.21 0.00 -1.26 0.25 121.76 123.77 1k5q s ALA 499 Ca 0.01 -0.17 -0.06 0.00 0.00 0.00 0.00 51.96 51.74 1k5q s ALA 499 Cb -0.08 0.14 -0.01 0.00 0.00 0.00 0.00 23.12 23.17 1k5q s ALA 499 CO 0.01 -0.24 0.12 -1.58 0.00 0.00 0.00 175.76 174.07 1k5q s TRP 500 N -1.65 0.19 0.35 0.00 0.51 -0.24 -1.15 118.94 116.95 1k5q s TRP 500 Ca -0.13 -0.51 -0.07 0.00 -2.12 0.00 0.00 56.10 53.27 1k5q s TRP 500 Cb -0.06 -0.13 0.03 0.00 -0.81 0.00 0.00 33.47 32.50 1k5q s TRP 500 CO 0.01 -0.40 0.58 -0.40 -0.51 0.00 0.00 176.95 176.22 1k5q n ASP 501 N 0.61 -1.65 -3.65 2.95 5.75 -0.41 -0.52 116.55 119.63 1k5q n ASP 501 Ca -0.18 -2.66 -0.09 0.00 -0.01 0.00 0.00 54.79 51.85 1k5q n ASP 501 Cb 0.59 2.89 -0.10 0.00 -1.03 0.00 0.00 41.12 43.48 1k5q n ASP 501 CO 0.00 0.00 0.00 0.54 -0.11 0.00 0.00 177.20 177.63 1k5q s VAL 502 N -2.53 -0.63 -0.51 2.12 0.11 -0.88 -1.69 120.40 116.39 1k5q s VAL 502 Ca 0.22 0.18 0.03 0.00 -2.93 0.00 0.00 61.98 59.47 1k5q s VAL 502 Cb -0.02 -0.65 0.13 0.00 -1.53 0.00 0.00 36.38 34.31 1k5q s VAL 502 CO 0.16 0.07 0.27 -0.69 -3.33 0.00 0.00 175.10 171.58 1k5q s VAL 503 N 2.59 2.78 -0.01 2.04 1.01 -1.26 -3.91 120.40 123.64 1k5q s VAL 503 Ca -0.01 -3.10 -0.03 0.00 0.00 0.00 0.00 61.98 58.83 1k5q s VAL 503 Cb -0.12 -2.92 -0.04 0.00 0.00 0.00 0.00 36.38 33.30 1k5q s VAL 503 CO -0.12 -0.79 0.19 0.00 0.00 0.00 0.00 175.10 174.38 1k5q s ALA 504 N -0.07 3.95 0.30 5.51 0.00 -1.26 -2.15 121.76 128.04 1k5q s ALA 504 Ca 0.16 -0.75 0.04 0.00 0.00 0.00 0.00 51.96 51.41 1k5q s ALA 504 Cb -0.24 -1.90 0.47 0.00 0.00 0.00 0.00 23.12 21.45 1k5q s ALA 504 CO -0.02 0.74 1.74 -1.35 0.00 0.00 0.00 175.76 176.87 1k5q h PRO 505 N 3.87 0.41 -1.61 0.00 0.11 -1.86 -3.37 132.00 129.54 1k5q h PRO 505 Ca -0.49 -0.15 0.31 0.00 0.11 0.00 0.00 66.00 65.78 1k5q h PRO 505 Cb 1.19 -0.03 -0.11 0.00 0.11 0.00 0.00 31.00 32.16 1k5q h PRO 505 CO 0.68 0.64 0.80 0.20 -0.21 0.00 0.00 178.00 180.11 1k5q s GLY 506 N -4.04 -0.36 0.29 -0.55 0.00 -0.91 -1.79 107.32 99.95 1k5q s GLY 506 Ca -0.06 0.56 -0.02 0.00 0.00 0.00 0.00 44.72 45.20 1k5q s GLY 506 CO 0.78 0.62 1.93 -1.61 0.00 0.00 0.00 173.10 174.82 1k5q h GLN 507 N 2.00 1.11 -5.98 2.90 5.75 -1.65 -3.40 115.11 115.84 1k5q h GLN 507 Ca -0.29 -0.07 -0.66 0.00 -0.15 0.00 0.00 58.65 57.49 1k5q h GLN 507 Cb 1.20 -0.25 -0.10 0.00 1.07 0.00 0.00 27.48 29.41 1k5q h GLN 507 CO 0.29 0.73 -0.57 0.45 -2.65 0.00 0.00 178.83 177.08 1k5q s SER 508 N -6.11 5.72 -0.02 -0.69 0.15 -0.30 -4.89 113.70 107.56 1k5q s SER 508 Ca -0.12 0.17 0.07 0.00 0.70 0.00 0.00 55.95 56.77 1k5q s SER 508 Cb 0.19 -1.66 0.19 0.00 -1.71 0.00 0.00 66.02 63.03 1k5q s SER 508 CO 0.80 0.28 1.15 0.61 1.20 0.00 0.00 173.24 177.28 1k5q n GLY 509 N 1.25 3.09 3.73 9.45 0.00 -1.26 -4.02 105.19 117.44 1k5q n GLY 509 Ca -0.13 -0.30 -0.41 0.00 0.00 0.00 0.00 46.02 45.17 1k5q n GLY 509 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 1k5q s PHE 510 N -1.25 3.58 -0.09 1.61 5.36 -1.26 -4.97 117.98 120.97 1k5q s PHE 510 Ca 0.15 1.55 -0.00 0.00 -0.96 0.00 0.00 56.93 57.67 1k5q s PHE 510 Cb 0.09 -3.27 0.02 0.00 -0.34 0.00 0.00 43.02 39.53 1k5q s PHE 510 CO 0.08 -0.63 -0.05 0.42 -1.46 0.00 0.00 175.22 173.58 1k5q s ILE 511 N 0.27 0.73 0.87 3.12 1.01 -1.26 -1.68 121.20 124.26 1k5q s ILE 511 Ca 0.52 -0.12 -0.10 0.00 0.00 0.00 0.00 60.65 60.94 1k5q s ILE 511 Cb -0.28 -0.80 0.12 0.00 0.01 0.00 0.00 42.46 41.51 1k5q s ILE 511 CO 0.32 0.31 1.12 0.00 0.00 0.00 0.00 174.94 176.69 1k5q s ALA 512 N 1.67 1.69 0.36 9.38 0.00 -0.38 -4.83 121.76 129.65 1k5q s ALA 512 Ca 0.02 0.40 0.15 0.00 0.00 0.00 0.00 51.96 52.53 1k5q s ALA 512 Cb -0.13 -3.36 1.03 0.00 0.00 0.00 0.00 23.12 20.67 1k5q s ALA 512 CO -0.06 -2.41 1.73 -1.35 0.00 0.00 0.00 175.76 173.68 1k5q h PRO 513 N -1.60 0.43 -0.04 0.00 0.11 -2.01 0.15 132.00 129.04 1k5q h PRO 513 Ca -0.44 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 65.64 1k5q h PRO 513 Cb 1.26 -0.10 0.00 0.00 0.11 0.00 0.00 31.00 32.27 1k5q h PRO 513 CO 0.46 0.28 0.00 -0.40 -0.21 0.00 0.00 178.00 178.14 1k5q n ASP 514 N -4.80 0.23 0.00 -2.05 5.68 -1.26 -4.86 116.55 109.49 1k5q n ASP 514 Ca 0.28 -1.77 0.00 0.00 -0.50 0.00 0.00 54.79 52.80 1k5q n ASP 514 Cb 0.88 -0.02 0.00 0.00 -1.14 0.00 0.00 41.12 40.83 1k5q n ASP 514 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1k5q n GLY 515 N 0.69 0.73 3.62 6.12 0.00 0.53 -5.01 105.19 111.86 1k5q n GLY 515 Ca 0.07 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.66 1k5q n GLY 515 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1k5q s THR 516 N -2.35 4.13 0.42 2.61 2.01 -1.25 -4.77 115.64 116.44 1k5q s THR 516 Ca 0.00 1.25 -0.23 0.00 0.31 0.00 0.00 61.69 63.02 1k5q s THR 516 Cb 0.00 -4.25 -0.09 0.00 0.01 0.00 0.00 72.50 68.17 1k5q s THR 516 CO 0.00 -0.60 1.04 -0.69 -0.69 0.00 0.00 174.62 173.68 1k5q s VAL 517 N 4.53 3.79 0.57 3.82 1.01 -1.26 -1.25 120.40 131.61 1k5q s VAL 517 Ca 0.55 1.28 -0.19 0.00 0.00 0.00 0.00 61.98 63.62 1k5q s VAL 517 Cb -0.14 -3.62 -0.04 0.00 0.00 0.00 0.00 36.38 32.58 1k5q s VAL 517 CO 0.25 -0.08 1.16 -0.62 0.00 0.00 0.00 175.10 175.81 1k5q s ASP 518 N -1.72 5.45 0.55 3.32 2.15 -0.68 -4.90 116.67 120.83 1k5q s ASP 518 Ca 0.61 2.24 0.25 0.00 0.43 0.00 0.00 52.55 56.07 1k5q s ASP 518 Cb -0.20 -2.59 1.44 0.00 -0.30 0.00 0.00 42.92 41.28 1k5q s ASP 518 CO 0.24 -1.41 2.05 0.07 -0.17 0.00 0.00 175.17 175.95 1k5q h LYS 519 N 0.96 0.00 -0.73 4.34 2.10 -1.95 -1.37 116.57 119.93 1k5q h LYS 519 Ca -0.50 0.00 -0.44 0.00 -2.00 0.00 0.00 60.65 57.71 1k5q h LYS 519 Cb 1.27 0.00 -0.25 0.00 -0.90 0.00 0.00 32.23 32.35 1k5q h LYS 519 CO 0.56 0.00 0.22 0.72 -2.00 0.00 0.00 179.45 178.95 1k5q n HIS 520 N -4.23 2.35 0.04 0.07 8.25 -1.26 -4.56 115.22 115.89 1k5q n HIS 520 Ca 0.05 -2.12 -0.07 0.00 -0.26 0.00 0.00 57.72 55.32 1k5q n HIS 520 Cb 0.43 -0.82 -0.12 0.00 1.12 0.00 0.00 29.99 30.60 1k5q n HIS 520 CO 0.00 0.00 0.00 -0.92 0.64 0.00 0.00 176.34 176.06 1k5q h TYR 521 N 1.42 0.00 0.00 4.41 3.20 -1.38 -0.71 116.97 123.92 1k5q h TYR 521 Ca 0.44 0.00 0.00 0.00 3.14 0.00 0.00 58.73 62.31 1k5q h TYR 521 Cb 1.74 0.00 0.00 0.00 1.54 0.00 0.00 36.73 40.01 1k5q h TYR 521 CO 1.25 0.99 -0.29 -0.85 -1.64 0.00 0.00 178.16 177.62 1k5q n GLU 522 N -3.26 0.00 -0.00 1.82 0.28 -1.26 -3.66 120.64 114.56 1k5q n GLU 522 Ca -0.05 -0.59 0.00 0.00 -0.16 0.00 0.00 57.16 56.36 1k5q n GLU 522 Cb 0.97 -0.31 0.00 0.00 1.43 0.00 0.00 31.44 33.53 1k5q n GLU 522 CO 0.00 0.00 0.00 -0.40 -0.16 0.00 0.00 177.13 176.57 1k5q n ASP 523 N 0.00 0.16 0.00 -1.84 5.75 -1.22 -3.01 116.55 116.39 1k5q n ASP 523 Ca 0.00 -2.00 0.00 0.00 -0.01 0.00 0.00 54.79 52.78 1k5q n ASP 523 Cb 0.61 -0.06 0.00 0.00 -1.03 0.00 0.00 41.12 40.64 1k5q n ASP 523 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 1k5q n GLN 524 N -0.42 0.03 -0.10 0.11 6.02 -0.74 -4.81 117.38 117.47 1k5q n GLN 524 Ca 0.00 -0.52 -0.12 0.00 -0.01 0.00 0.00 57.00 56.35 1k5q n GLN 524 Cb 0.04 -0.81 -0.04 0.00 1.02 0.00 0.00 30.24 30.45 1k5q n GLN 524 CO 0.00 0.00 0.00 1.25 -1.01 0.00 0.00 177.06 177.30 1k5q h LEU 525 N 0.00 0.64 -0.48 1.08 5.85 -1.41 -1.44 115.31 119.55 1k5q h LEU 525 Ca 0.00 -0.40 -0.17 0.00 0.84 0.00 0.00 57.88 58.15 1k5q h LEU 525 Cb 0.32 -0.18 -0.01 0.00 0.37 0.00 0.00 40.66 41.16 1k5q h LEU 525 CO 0.00 0.90 -0.73 0.11 -0.34 0.00 0.00 178.44 178.38 1k5q h LYS 526 N 0.38 0.23 -0.66 1.25 1.79 -1.88 -2.63 116.57 115.06 1k5q h LYS 526 Ca 0.07 -0.19 -0.01 0.00 -2.18 0.00 0.00 60.65 58.33 1k5q h LYS 526 Cb 0.65 0.04 -0.03 0.00 -1.58 0.00 0.00 32.23 31.31 1k5q h LYS 526 CO 0.04 0.86 0.36 1.98 -1.08 0.00 0.00 179.45 181.61 1k5q h MET 527 N 0.15 0.92 -0.29 3.15 4.05 -1.85 -1.73 114.93 119.33 1k5q h MET 527 Ca -0.02 -0.11 -0.00 0.00 -0.28 0.00 0.00 59.70 59.29 1k5q h MET 527 Cb 1.29 -0.18 -0.01 0.00 -0.80 0.00 0.00 31.60 31.90 1k5q h MET 527 CO 0.11 0.69 0.17 -0.92 0.23 0.00 0.00 176.91 177.19 1k5q h TYR 528 N 0.90 0.39 -0.87 1.39 3.20 -1.09 0.36 116.97 121.25 1k5q h TYR 528 Ca 0.23 -0.01 0.09 0.00 3.14 0.00 0.00 58.73 62.18 1k5q h TYR 528 Cb 0.04 -0.13 -0.07 0.00 1.54 0.00 0.00 36.73 38.11 1k5q h TYR 528 CO -0.01 0.31 0.52 1.49 -1.64 0.00 0.00 178.16 178.84 1k5q h GLU 529 N 0.36 0.87 -0.62 1.82 4.81 -1.07 -2.76 114.58 117.99 1k5q h GLU 529 Ca 0.10 -0.05 0.00 0.00 -0.13 0.00 0.00 59.36 59.28 1k5q h GLU 529 Cb 0.04 -0.20 0.00 0.00 0.63 0.00 0.00 28.75 29.23 1k5q h GLU 529 CO -0.02 0.57 0.00 0.27 -0.73 0.00 0.00 179.01 179.11 1k5q n ASN 530 N -4.68 5.24 -2.19 1.04 0.23 -0.70 -4.90 115.26 109.32 1k5q n ASN 530 Ca 0.14 -2.81 -0.18 0.00 -0.53 0.00 0.00 54.58 51.20 1k5q n ASN 530 Cb 0.25 -0.66 0.00 0.00 -2.08 0.00 0.00 39.78 37.29 1k5q n ASN 530 CO 0.00 0.00 0.00 0.49 -0.93 0.00 0.00 177.26 176.82 1k5q n PHE 531 N 0.61 -1.05 -2.15 -2.53 3.72 -1.04 -5.00 117.46 110.02 1k5q n PHE 531 Ca 0.25 0.10 -0.27 0.00 -0.05 0.00 0.00 57.45 57.48 1k5q n PHE 531 Cb 1.09 -3.68 0.18 0.00 -0.94 0.00 0.00 39.48 36.13 1k5q n PHE 531 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 1k5q n GLY 532 N -1.11 -0.81 3.50 1.37 0.00 0.12 -5.03 105.19 103.24 1k5q n GLY 532 Ca -0.19 -1.81 -0.12 0.00 0.00 0.00 0.00 46.02 43.90 1k5q n GLY 532 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 1k5q s ARG 533 N -5.65 0.93 0.18 1.61 1.70 -1.26 -4.64 118.95 111.82 1k5q s ARG 533 Ca 0.73 -0.14 0.09 0.00 -0.47 0.00 0.00 55.73 55.94 1k5q s ARG 533 Cb -0.03 0.43 -0.04 0.00 -0.57 0.00 0.00 34.95 34.75 1k5q s ARG 533 CO 0.50 -0.37 -0.20 -1.59 -1.08 0.00 0.00 175.30 172.57 1k5q s LYS 534 N -2.47 1.37 0.31 3.89 0.00 -0.68 -4.94 119.74 117.22 1k5q s LYS 534 Ca -0.01 -1.48 -0.29 0.00 0.00 0.00 0.00 55.97 54.20 1k5q s LYS 534 Cb -0.01 -1.48 -0.10 0.00 0.00 0.00 0.00 37.83 36.24 1k5q s LYS 534 CO -0.04 0.30 1.21 -1.12 0.00 0.00 0.00 175.35 175.71 1k5q s SER 535 N -2.77 7.00 -0.22 0.03 0.01 -1.26 -1.29 113.70 115.19 1k5q s SER 535 Ca 0.18 2.50 -0.09 0.00 1.31 0.00 0.00 55.95 59.85 1k5q s SER 535 Cb -0.06 -2.64 -0.05 0.00 0.21 0.00 0.00 66.02 63.49 1k5q s SER 535 CO 0.08 -0.35 0.12 -0.76 0.41 0.00 0.00 173.24 172.74 1k5q s LEU 536 N -1.63 3.97 0.24 2.44 1.43 -0.30 -4.85 118.68 119.96 1k5q s LEU 536 Ca 0.47 0.07 -0.03 0.00 -1.03 0.00 0.00 54.13 53.61 1k5q s LEU 536 Cb -0.36 -2.05 -0.05 0.00 0.03 0.00 0.00 46.19 43.76 1k5q s LEU 536 CO 0.48 0.09 0.46 0.26 0.23 0.00 0.00 176.35 177.86 1k5q s TRP 537 N 0.92 3.48 0.15 0.29 0.52 -1.26 -4.45 118.94 118.59 1k5q s TRP 537 Ca 0.06 0.49 0.00 0.00 0.02 0.00 0.00 56.10 56.67 1k5q s TRP 537 Cb -0.13 -1.97 0.00 0.00 -1.15 0.00 0.00 33.47 30.21 1k5q s TRP 537 CO 0.03 0.29 0.00 -0.11 0.02 0.00 0.00 176.95 177.18 1k5q n LEU 538 N -0.73 0.39 -4.74 2.99 7.94 -1.26 -4.74 117.00 116.85 1k5q n LEU 538 Ca -0.03 0.25 -0.36 0.00 -1.11 0.00 0.00 56.01 54.75 1k5q n LEU 538 Cb 0.54 0.02 0.05 0.00 0.53 0.00 0.00 43.42 44.56 1k5q n LEU 538 CO 0.48 -0.66 0.86 0.42 -1.11 0.00 0.00 177.39 177.38 1k5q s THR 539 N -2.00 2.42 0.33 1.96 -4.23 -1.26 -4.80 115.64 108.06 1k5q s THR 539 Ca 0.00 0.25 0.08 0.00 -1.18 0.00 0.00 61.69 60.84 1k5q s THR 539 Cb 0.00 -3.08 0.32 0.00 1.34 0.00 0.00 72.50 71.08 1k5q s THR 539 CO 0.00 -0.06 1.82 0.50 -0.54 0.00 0.00 174.62 176.34 1k5q h LYS 540 N 0.68 0.72 -0.26 3.99 1.63 -1.99 -0.89 116.57 120.45 1k5q h LYS 540 Ca -0.50 -0.04 -0.09 0.00 -0.85 0.00 0.00 60.65 59.16 1k5q h LYS 540 Cb 1.31 -0.16 -0.01 0.00 -0.60 0.00 0.00 32.23 32.77 1k5q h LYS 540 CO 0.54 0.47 -0.21 0.37 -3.45 0.00 0.00 179.45 177.18 1k5q h GLN 541 N 0.74 0.60 -0.49 1.90 5.75 -1.98 -0.87 115.11 120.75 1k5q h GLN 541 Ca 0.52 -0.30 -0.04 0.00 -0.15 0.00 0.00 58.65 58.68 1k5q h GLN 541 Cb 0.84 0.00 -0.02 0.00 1.07 0.00 0.00 27.48 29.37 1k5q h GLN 541 CO -0.29 0.89 0.14 -0.44 -2.65 0.00 0.00 178.83 176.48 1k5q h ASP 542 N 0.32 0.72 -0.46 -0.69 5.19 -1.68 0.29 116.42 120.12 1k5q h ASP 542 Ca 0.05 -0.21 -0.05 0.00 -0.62 0.00 0.00 57.03 56.20 1k5q h ASP 542 Cb 0.75 -0.19 -0.02 0.00 0.18 0.00 0.00 39.33 40.05 1k5q h ASP 542 CO 0.05 0.75 0.10 0.58 -3.12 0.00 0.00 179.24 177.60 1k5q h VAL 543 N 0.66 1.24 -0.24 -1.35 2.07 -1.16 -2.34 116.25 115.13 1k5q h VAL 543 Ca 0.16 -0.84 -0.00 0.00 0.82 0.00 0.00 66.70 66.83 1k5q h VAL 543 Cb 0.29 0.91 -0.01 0.00 -1.52 0.00 0.00 31.29 30.96 1k5q h VAL 543 CO -0.00 0.30 0.14 -0.08 0.02 0.00 0.00 177.57 177.94 1k5q h GLU 544 N 0.61 0.34 0.00 1.57 4.57 -0.98 -1.34 114.58 119.35 1k5q h GLU 544 Ca 0.14 -0.04 0.00 0.00 -1.18 0.00 0.00 59.36 58.28 1k5q h GLU 544 Cb 0.34 -0.07 0.00 0.00 -0.16 0.00 0.00 28.75 28.86 1k5q h GLU 544 CO 0.00 0.30 0.00 0.00 -1.18 0.00 0.00 179.01 178.13 1k5q h ALA 545 N 1.02 1.00 -0.08 2.92 0.00 -0.79 -2.24 119.26 121.10 1k5q h ALA 545 Ca 0.09 0.00 -0.01 0.00 0.00 0.00 0.00 54.91 54.99 1k5q h ALA 545 Cb 0.06 0.00 -0.00 0.00 0.00 0.00 0.00 17.79 17.84 1k5q h ALA 545 CO -0.01 0.00 -0.03 0.72 0.00 0.00 0.00 179.25 179.92 1k5q n HIS 546 N -2.66 0.27 -2.13 0.00 8.25 -0.89 -5.04 115.22 113.01 1k5q n HIS 546 Ca 0.00 -1.02 -0.41 0.00 -0.26 0.00 0.00 57.72 56.04 1k5q n HIS 546 Cb 0.20 -0.21 -0.02 0.00 1.12 0.00 0.00 29.99 31.07 1k5q n HIS 546 CO 0.00 0.00 0.00 0.21 0.64 0.00 0.00 176.34 177.19 1k5q s LYS 547 N -2.90 4.36 -0.10 -0.41 2.20 -0.55 -4.92 119.74 117.42 1k5q s LYS 547 Ca 0.35 2.18 0.03 0.00 -0.36 0.00 0.00 55.97 58.18 1k5q s LYS 547 Cb 0.30 -3.10 -0.08 0.00 -1.51 0.00 0.00 37.83 33.44 1k5q s LYS 547 CO 0.04 -0.22 -0.05 -1.91 -0.36 0.00 0.00 175.35 172.85 1k5q n GLU 548 N 1.39 1.21 -3.88 4.03 2.13 -1.26 -5.08 120.64 119.19 1k5q n GLU 548 Ca 0.02 0.04 -0.09 0.00 0.66 0.00 0.00 57.16 57.79 1k5q n GLU 548 Cb 0.42 -1.22 -0.05 0.00 0.27 0.00 0.00 31.44 30.87 1k5q n GLU 548 CO 0.00 0.00 0.00 -1.54 -0.41 0.00 0.00 177.13 175.18 1k5q s SER 549 N -4.64 -0.15 0.08 4.31 1.04 -1.26 -5.18 113.70 107.90 1k5q s SER 549 Ca -0.10 -0.72 -0.10 0.00 0.48 0.00 0.00 55.95 55.51 1k5q s SER 549 Cb 0.03 0.58 0.00 0.00 0.10 0.00 0.00 66.02 66.73 1k5q s SER 549 CO 0.29 -1.10 0.22 -1.58 0.98 0.00 0.00 173.24 172.05 1k5q s GLN 550 N -3.95 0.84 -0.27 4.02 0.74 -1.26 -5.16 119.66 114.62 1k5q s GLN 550 Ca 0.16 -0.85 -0.25 0.00 0.05 0.00 0.00 55.36 54.46 1k5q s GLN 550 Cb -0.01 0.35 0.12 0.00 1.10 0.00 0.00 33.01 34.57 1k5q s GLN 550 CO 0.03 -0.27 1.00 -2.00 -0.55 0.00 0.00 175.29 173.50 1k5q s GLU 551 N -3.58 0.54 -0.11 1.67 2.12 -1.26 -5.15 118.70 112.93 1k5q s GLU 551 Ca 0.03 0.62 0.01 0.00 0.36 0.00 0.00 54.97 55.98 1k5q s GLU 551 Cb 0.03 0.27 0.02 0.00 0.26 0.00 0.00 34.13 34.71 1k5q s GLU 551 CO -0.10 -0.07 -0.12 0.08 -0.54 0.00 0.00 175.26 174.52 1k5q s VAL 552 N 0.19 1.28 0.06 3.70 1.01 -1.26 -5.13 120.40 120.25 1k5q s VAL 552 Ca 0.03 -0.48 0.00 0.00 0.00 0.00 0.00 61.98 61.53 1k5q s VAL 552 Cb -0.05 -1.23 -0.04 0.00 0.00 0.00 0.00 36.38 35.07 1k5q s VAL 552 CO -0.05 0.41 0.20 -0.76 0.00 0.00 0.00 175.10 174.90 1k5q s LEU 553 N 1.35 4.33 -0.22 3.92 1.43 -1.26 -5.09 118.68 123.14 1k5q s LEU 553 Ca -0.00 0.26 -0.01 0.00 -1.03 0.00 0.00 54.13 53.35 1k5q s LEU 553 Cb -0.14 -2.93 0.06 0.00 0.03 0.00 0.00 46.19 43.22 1k5q s LEU 553 CO -0.06 0.17 -0.02 -1.00 0.23 0.00 0.00 176.35 175.68 1k5q s HIS 554 N -1.50 1.83 -0.04 0.29 3.76 -1.26 -5.12 115.29 113.25 1k5q s HIS 554 Ca 0.35 -1.38 -0.09 0.00 -0.15 0.00 0.00 55.06 53.79 1k5q s HIS 554 Cb -0.13 -1.35 0.01 0.00 1.11 0.00 0.00 32.58 32.22 1k5q s HIS 554 CO 0.28 -0.70 0.20 0.54 -0.85 0.00 0.00 174.74 174.20 1k5q s VAL 555 N 1.59 0.04 -0.08 -0.90 0.11 -1.26 -5.15 120.40 114.76 1k5q s VAL 555 Ca -0.04 -0.34 0.01 0.00 -2.93 0.00 0.00 61.98 58.68 1k5q s VAL 555 Cb -0.18 -0.40 -0.03 0.00 -1.53 0.00 0.00 36.38 34.24 1k5q s VAL 555 CO -0.07 -0.19 -0.08 -1.58 -3.33 0.00 0.00 175.10 169.85 1k5q s GLN 556 N -0.69 2.81 0.00 1.54 2.00 -1.26 -5.36 119.66 118.71 1k5q s GLN 556 Ca -0.08 -0.58 0.14 0.00 -2.00 0.00 0.00 55.36 52.85 1k5q s GLN 556 Cb -0.04 -2.58 0.87 0.00 0.80 0.00 0.00 33.01 32.05 1k5q s GLN 556 CO 0.01 0.60 1.28 -2.13 -0.50 0.00 0.00 175.29 174.56