#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3k52 s LEU 2 N 0.00 4.18 0.10 3.17 1.98 -1.26 -1.55 118.68 125.30 3k52 s LEU 2 Ca 0.00 0.44 0.06 0.00 -2.89 0.00 0.00 54.13 51.74 3k52 s LEU 2 Cb 0.00 -2.39 -0.04 0.00 0.66 0.00 0.00 46.19 44.42 3k52 s LEU 2 CO 0.00 0.01 -0.05 -0.89 -1.89 0.00 0.00 176.35 173.53 3k52 s THR 3 N 1.00 3.70 -0.20 3.68 2.01 0.27 -1.34 115.64 124.75 3k52 s THR 3 Ca 0.16 -1.15 0.01 0.00 0.31 0.00 0.00 61.69 61.02 3k52 s THR 3 Cb -0.14 -2.76 0.05 0.00 0.01 0.00 0.00 72.50 69.66 3k52 s THR 3 CO 0.06 0.10 -0.08 -0.63 -0.69 0.00 0.00 174.62 173.38 3k52 s ILE 4 N -1.30 1.50 -0.26 1.82 1.01 -0.70 -0.84 121.20 122.42 3k52 s ILE 4 Ca 0.24 -1.01 -0.12 0.00 0.00 0.00 0.00 60.65 59.76 3k52 s ILE 4 Cb -0.11 -1.66 -0.05 0.00 0.01 0.00 0.00 42.46 40.65 3k52 s ILE 4 CO 0.16 0.07 0.25 -0.22 0.00 0.00 0.00 174.94 175.20 3k52 s LEU 5 N 1.44 4.06 -0.36 2.97 2.96 0.37 -0.43 118.68 129.69 3k52 s LEU 5 Ca -0.02 0.15 -0.11 0.00 -0.22 0.00 0.00 54.13 53.92 3k52 s LEU 5 Cb -0.17 -2.24 0.02 0.00 0.50 0.00 0.00 46.19 44.30 3k52 s LEU 5 CO -0.07 -0.06 0.20 -0.75 -1.32 0.00 0.00 176.35 174.35 3k52 s LYS 6 N 1.63 2.98 0.00 1.98 2.36 0.16 -1.35 119.74 127.51 3k52 s LYS 6 Ca 0.10 -0.97 0.00 0.00 -2.55 0.00 0.00 55.97 52.55 3k52 s LYS 6 Cb -0.15 -3.71 0.00 0.00 -1.05 0.00 0.00 37.83 32.92 3k52 s LYS 6 CO 0.09 -0.63 0.00 1.28 1.55 0.00 0.00 175.35 177.64 3k52 n LEU 7 N 5.01 0.00 0.00 5.43 4.77 0.22 -1.28 117.00 131.15 3k52 n LEU 7 Ca -0.12 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 55.86 3k52 n LEU 7 Cb 0.47 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.56 3k52 n LEU 7 CO 0.36 0.00 0.00 0.61 -1.33 0.00 0.00 177.39 177.03 3k52 n GLY 8 N 2.96 -2.74 0.00 -0.72 0.00 -1.21 -4.72 105.19 98.76 3k52 n GLY 8 Ca 0.00 -1.34 0.00 0.00 0.00 0.00 0.00 46.02 44.68 3k52 n GLY 8 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3k52 n GLY 9 N -1.61 0.00 7.00 -0.02 0.00 -1.26 -3.87 105.19 105.43 3k52 n GLY 9 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 3k52 n GLY 9 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 3k52 n SER 10 N 0.00 0.00 0.32 1.61 7.64 0.13 0.12 113.62 123.44 3k52 n SER 10 Ca 0.00 0.00 0.15 0.00 1.01 0.00 0.00 58.87 60.03 3k52 n SER 10 Cb 0.00 0.00 0.77 0.00 -1.01 0.00 0.00 64.21 63.97 3k52 n SER 10 CO 0.00 0.00 0.00 0.16 -3.01 0.00 0.00 175.04 172.19 3k52 h ILE 11 N 0.00 0.02 0.00 0.44 3.07 -1.91 0.01 117.51 119.14 3k52 h ILE 11 Ca 0.00 0.00 -0.12 0.00 1.55 0.00 0.00 64.86 66.29 3k52 h ILE 11 Cb 0.00 0.63 -0.02 0.00 -0.27 0.00 0.00 36.82 37.16 3k52 h ILE 11 CO 0.00 0.00 -1.97 0.18 -1.05 0.00 0.00 178.15 175.31 3k52 n LEU 12 N -2.91 0.00 -3.66 0.16 4.77 0.33 -4.50 117.00 111.18 3k52 n LEU 12 Ca -0.01 0.00 -0.13 0.00 -0.03 0.00 0.00 56.01 55.84 3k52 n LEU 12 Cb 0.43 0.17 -0.08 0.00 -2.33 0.00 0.00 43.42 41.60 3k52 n LEU 12 CO 0.13 0.17 0.30 -0.55 -1.33 0.00 0.00 177.39 176.11 3k52 s SER 13 N -4.50 -0.66 -0.61 -1.43 0.15 -0.01 -1.45 113.70 105.20 3k52 s SER 13 Ca -0.07 1.25 -0.21 0.00 0.70 0.00 0.00 55.95 57.61 3k52 s SER 13 Cb 0.09 1.25 0.07 0.00 -1.71 0.00 0.00 66.02 65.72 3k52 s SER 13 CO 0.73 -0.21 0.85 -0.62 1.20 0.00 0.00 173.24 175.19 3k52 s ASP 14 N 0.46 6.20 0.65 5.45 -1.08 -1.26 -0.70 116.67 126.39 3k52 s ASP 14 Ca -0.01 -1.02 0.24 0.00 -0.52 0.00 0.00 52.55 51.24 3k52 s ASP 14 Cb -0.04 -2.37 1.28 0.00 -1.46 0.00 0.00 42.92 40.32 3k52 s ASP 14 CO -0.01 -1.26 1.72 0.11 0.52 0.00 0.00 175.17 176.25 3k52 h LYS 15 N 9.36 0.00 -0.02 4.34 1.57 -1.90 -0.22 116.57 129.70 3k52 h LYS 15 Ca -0.28 0.00 -0.01 0.00 -1.87 0.00 0.00 60.65 58.48 3k52 h LYS 15 Cb 1.08 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 33.39 3k52 h LYS 15 CO 1.12 0.00 -0.04 -0.91 -0.57 0.00 0.00 179.45 179.06 3k52 h ASN 16 N 0.00 0.07 -3.32 0.86 2.35 -1.95 -3.40 115.58 110.18 3k52 h ASN 16 Ca 0.07 -0.55 -0.62 0.00 -0.55 0.00 0.00 56.30 54.65 3k52 h ASN 16 Cb 1.14 -0.02 -0.13 0.00 0.05 0.00 0.00 38.32 39.36 3k52 h ASN 16 CO -0.00 0.61 0.48 -0.69 -1.65 0.00 0.00 177.43 176.18 3k52 s VAL 17 N -4.01 4.49 0.33 2.81 1.01 -0.10 -5.00 120.40 119.93 3k52 s VAL 17 Ca -0.16 0.28 -0.28 0.00 0.00 0.00 0.00 61.98 61.82 3k52 s VAL 17 Cb 0.02 -4.47 -0.13 0.00 0.00 0.00 0.00 36.38 31.80 3k52 s VAL 17 CO 0.69 -0.99 1.23 -2.65 0.00 0.00 0.00 175.10 173.38 3k52 n PRO 18 N 7.19 1.96 -2.21 2.72 -0.02 -1.26 -0.51 135.00 142.87 3k52 n PRO 18 Ca 0.02 0.69 -0.18 0.00 -2.02 0.00 0.00 63.50 62.00 3k52 n PRO 18 Cb 0.47 -2.22 -0.02 0.00 -0.02 0.00 0.00 33.50 31.71 3k52 n PRO 18 CO 0.00 0.00 0.00 0.66 1.98 0.00 0.00 175.50 178.14 3k52 n TYR 19 N 0.35 -0.90 -2.24 6.00 4.01 0.14 -4.95 117.16 119.56 3k52 n TYR 19 Ca 0.06 0.00 -0.39 0.00 -0.16 0.00 0.00 57.90 57.41 3k52 n TYR 19 Cb 0.35 -3.50 -0.02 0.00 -0.31 0.00 0.00 39.34 35.86 3k52 n TYR 19 CO 0.00 0.00 0.00 0.45 -0.46 0.00 0.00 176.86 176.85 3k52 s SER 20 N -2.16 6.66 -0.13 7.72 0.15 0.33 -5.02 113.70 121.24 3k52 s SER 20 Ca 0.00 2.46 -0.02 0.00 0.70 0.00 0.00 55.95 59.09 3k52 s SER 20 Cb 0.00 -2.63 0.05 0.00 -1.71 0.00 0.00 66.02 61.73 3k52 s SER 20 CO 0.00 -0.59 0.03 -0.63 1.20 0.00 0.00 173.24 173.25 3k52 s ILE 21 N -1.29 0.34 -1.40 6.45 -1.09 -1.26 -4.27 121.20 118.69 3k52 s ILE 21 Ca 0.53 -0.18 -0.15 0.00 -2.23 0.00 0.00 60.65 58.62 3k52 s ILE 21 Cb -0.34 -0.72 0.05 0.00 -1.58 0.00 0.00 42.46 39.86 3k52 s ILE 21 CO 0.44 -0.01 2.07 0.29 -1.23 0.00 0.00 174.94 176.49 3k52 n LYS 22 N 5.13 2.93 -0.05 2.79 5.02 -0.53 -4.79 118.16 128.67 3k52 n LYS 22 Ca -0.08 -2.80 -0.09 0.00 -2.02 0.00 0.00 58.31 53.32 3k52 n LYS 22 Cb 0.49 -3.35 -0.02 0.00 -0.02 0.00 0.00 35.03 32.12 3k52 n LYS 22 CO 0.00 0.00 0.00 -1.49 -0.52 0.00 0.00 177.40 175.39 3k52 h TRP 23 N 6.55 -0.76 -0.22 2.13 4.06 -1.94 0.36 115.95 126.14 3k52 h TRP 23 Ca 0.53 0.04 0.06 0.00 2.06 0.00 0.00 58.89 61.58 3k52 h TRP 23 Cb 0.72 0.37 -0.07 0.00 -1.00 0.00 0.00 29.16 29.18 3k52 h TRP 23 CO 1.45 -0.35 -0.24 0.22 -3.56 0.00 0.00 178.44 175.96 3k52 h ASP 24 N -0.29 -0.75 -0.70 -3.49 3.58 -1.98 0.42 116.42 113.19 3k52 h ASP 24 Ca 0.13 0.13 -0.05 0.00 0.42 0.00 0.00 57.03 57.67 3k52 h ASP 24 Cb 0.50 0.35 -0.03 0.00 1.72 0.00 0.00 39.33 41.87 3k52 h ASP 24 CO -0.41 -0.28 0.25 -1.13 -2.88 0.00 0.00 179.24 174.80 3k52 h ASN 25 N -0.25 1.01 -0.36 2.28 -0.00 -1.71 -1.13 115.58 115.43 3k52 h ASN 25 Ca 0.13 -0.17 -0.09 0.00 -0.00 0.00 0.00 56.30 56.17 3k52 h ASN 25 Cb 0.45 -0.26 -0.02 0.00 -0.00 0.00 0.00 38.32 38.49 3k52 h ASN 25 CO -0.37 0.92 -0.08 0.25 -0.00 0.00 0.00 177.43 178.15 3k52 h LEU 26 N 1.06 0.76 -0.06 0.34 5.85 0.79 -2.31 115.31 121.73 3k52 h LEU 26 Ca 0.24 -0.22 -0.03 0.00 0.84 0.00 0.00 57.88 58.71 3k52 h LEU 26 Cb 0.26 -0.21 -0.00 0.00 0.37 0.00 0.00 40.66 41.08 3k52 h LEU 26 CO -0.01 0.88 -0.07 -0.33 -0.34 0.00 0.00 178.44 178.57 3k52 h GLU 27 N 0.71 0.16 -0.92 1.25 5.08 0.17 -2.78 114.58 118.26 3k52 h GLU 27 Ca 0.13 -0.09 0.13 0.00 -1.00 0.00 0.00 59.36 58.53 3k52 h GLU 27 Cb 0.56 0.00 -0.09 0.00 0.50 0.00 0.00 28.75 29.72 3k52 h GLU 27 CO 0.03 0.62 0.54 -0.09 -1.00 0.00 0.00 179.01 179.12 3k52 h ARG 28 N -0.29 0.80 -0.74 2.33 2.43 -1.17 -1.40 114.38 116.34 3k52 h ARG 28 Ca 0.01 -0.05 -0.02 0.00 -0.81 0.00 0.00 59.98 59.11 3k52 h ARG 28 Cb 0.60 -0.18 -0.03 0.00 -0.42 0.00 0.00 29.97 29.93 3k52 h ARG 28 CO 0.02 0.53 0.39 0.82 -1.51 0.00 0.00 179.97 180.22 3k52 h ILE 29 N 0.82 1.23 -0.48 1.20 2.04 -1.36 -1.56 117.51 119.40 3k52 h ILE 29 Ca 0.48 -0.60 0.00 0.00 1.00 0.00 0.00 64.86 65.74 3k52 h ILE 29 Cb 0.56 0.26 -0.02 0.00 -0.74 0.00 0.00 36.82 36.87 3k52 h ILE 29 CO -0.30 0.26 0.32 0.00 0.00 0.00 0.00 178.15 178.43 3k52 h ALA 30 N 1.20 0.61 0.03 1.87 0.00 -1.00 -0.77 119.26 121.22 3k52 h ALA 30 Ca 0.26 -0.03 0.02 0.00 0.00 0.00 0.00 54.91 55.15 3k52 h ALA 30 Cb 0.06 -0.20 -0.05 0.00 0.00 0.00 0.00 17.79 17.61 3k52 h ALA 30 CO -0.04 0.06 -0.48 0.52 0.00 0.00 0.00 179.25 179.32 3k52 h MET 31 N 0.66 -0.60 -0.50 0.00 2.86 -0.71 -0.38 114.93 116.26 3k52 h MET 31 Ca 0.18 0.04 0.08 0.00 -2.06 0.00 0.00 59.70 57.94 3k52 h MET 31 Cb -0.07 0.14 -0.07 0.00 0.06 0.00 0.00 31.60 31.66 3k52 h MET 31 CO -0.04 -0.40 0.12 0.93 1.06 0.00 0.00 176.91 178.58 3k52 h GLU 32 N -0.63 0.26 -0.86 1.72 5.08 -1.03 0.73 114.58 119.85 3k52 h GLU 32 Ca 0.01 -0.02 0.12 0.00 -1.00 0.00 0.00 59.36 58.47 3k52 h GLU 32 Cb 0.66 -0.06 -0.06 0.00 0.50 0.00 0.00 28.75 29.79 3k52 h GLU 32 CO -0.30 0.17 0.55 0.82 -1.00 0.00 0.00 179.01 179.25 3k52 h ILE 33 N 0.26 0.88 0.29 3.13 2.04 -0.90 0.51 117.51 123.72 3k52 h ILE 33 Ca 0.25 -0.24 -0.01 0.00 1.00 0.00 0.00 64.86 65.85 3k52 h ILE 33 Cb 0.32 0.11 0.00 0.00 -0.74 0.00 0.00 36.82 36.50 3k52 h ILE 33 CO -0.30 0.13 -0.14 0.50 0.00 0.00 0.00 178.15 178.34 3k52 h LYS 34 N 0.71 -0.38 -0.93 2.37 1.63 0.16 -1.12 116.57 119.02 3k52 h LYS 34 Ca 0.42 0.03 0.26 0.00 -0.85 0.00 0.00 60.65 60.50 3k52 h LYS 34 Cb 0.61 0.09 -0.16 0.00 -0.60 0.00 0.00 32.23 32.16 3k52 h LYS 34 CO -0.18 -0.04 0.13 -0.91 -3.45 0.00 0.00 179.45 175.00 3k52 h ASN 35 N -0.88 -0.25 -0.06 4.20 2.35 0.63 0.90 115.58 122.47 3k52 h ASN 35 Ca -0.04 0.24 -0.01 0.00 -0.55 0.00 0.00 56.30 55.94 3k52 h ASN 35 Cb 0.52 0.38 -0.00 0.00 0.05 0.00 0.00 38.32 39.27 3k52 h ASN 35 CO 0.07 -0.28 0.00 0.00 -1.65 0.00 0.00 177.43 175.57 3k52 h ALA 36 N 1.89 0.07 -1.00 -0.83 0.00 -0.83 -1.12 119.26 117.44 3k52 h ALA 36 Ca 0.58 -0.17 0.02 0.00 0.00 0.00 0.00 54.91 55.34 3k52 h ALA 36 Cb 1.21 -0.02 -0.05 0.00 0.00 0.00 0.00 17.79 18.93 3k52 h ALA 36 CO -0.80 -0.26 0.66 -0.07 0.00 0.00 0.00 179.25 178.79 3k52 h LEU 37 N -0.19 1.13 -0.79 0.00 3.38 0.20 -1.12 115.31 117.92 3k52 h LEU 37 Ca 0.02 -0.02 -0.06 0.00 0.09 0.00 0.00 57.88 57.90 3k52 h LEU 37 Cb 0.33 -0.28 -0.03 0.00 0.09 0.00 0.00 40.66 40.77 3k52 h LEU 37 CO 0.00 0.81 0.18 0.44 0.09 0.00 0.00 178.44 179.96 3k52 h ASP 38 N 1.33 1.03 -0.61 -0.43 3.32 -0.80 -2.82 116.42 117.44 3k52 h ASP 38 Ca 0.38 -0.21 -0.01 0.00 0.02 0.00 0.00 57.03 57.21 3k52 h ASP 38 Cb -0.11 -0.27 -0.03 0.00 0.22 0.00 0.00 39.33 39.15 3k52 h ASP 38 CO -0.09 0.98 0.33 0.22 -1.72 0.00 0.00 179.24 178.95 3k52 h TYR 39 N 1.04 0.85 0.00 4.55 3.20 -0.04 -1.89 116.97 124.68 3k52 h TYR 39 Ca 0.22 -0.02 -0.02 0.00 3.14 0.00 0.00 58.73 62.05 3k52 h TYR 39 Cb 0.34 -0.27 -0.00 0.00 1.54 0.00 0.00 36.73 38.34 3k52 h TYR 39 CO 0.03 0.62 -0.08 1.88 -1.64 0.00 0.00 178.16 178.96 3k52 h TYR 40 N 0.83 0.00 0.00 -3.82 -1.99 -1.15 -1.54 116.97 109.31 3k52 h TYR 40 Ca 0.21 0.00 -0.00 0.00 2.00 0.00 0.00 58.73 60.94 3k52 h TYR 40 Cb 0.06 0.00 0.00 0.00 2.00 0.00 0.00 36.73 38.79 3k52 h TYR 40 CO -0.01 0.08 -0.01 -0.22 -0.00 0.00 0.00 178.16 178.01 3k52 h LYS 41 N 0.00 0.01 -0.30 4.88 3.64 -1.20 0.20 116.57 123.80 3k52 h LYS 41 Ca -0.00 -0.01 0.06 0.00 -1.27 0.00 0.00 60.65 59.43 3k52 h LYS 41 Cb 0.56 0.00 -0.05 0.00 -0.41 0.00 0.00 32.23 32.33 3k52 h LYS 41 CO 0.01 0.80 -0.05 -0.91 -2.27 0.00 0.00 179.45 177.04 3k52 h ASN 42 N -0.78 -0.22 0.00 4.20 2.35 -1.15 0.31 115.58 120.30 3k52 h ASN 42 Ca -0.00 0.08 0.00 0.00 -0.55 0.00 0.00 56.30 55.83 3k52 h ASN 42 Cb 0.80 0.16 0.00 0.00 0.05 0.00 0.00 38.32 39.33 3k52 h ASN 42 CO 0.00 -0.07 0.00 0.00 -1.65 0.00 0.00 177.43 175.71 3k52 n GLN 43 N -5.22 0.94 -3.78 0.81 1.13 -0.60 -4.92 117.38 105.74 3k52 n GLN 43 Ca -0.00 0.00 -0.24 0.00 -1.94 0.00 0.00 57.00 54.82 3k52 n GLN 43 Cb 0.16 -1.05 0.00 0.00 0.11 0.00 0.00 30.24 29.47 3k52 n GLN 43 CO 0.00 0.00 0.00 0.09 -1.44 0.00 0.00 177.06 175.71 3k52 n ASN 44 N -0.55 -4.88 -4.01 1.08 3.02 0.10 -4.99 115.26 105.03 3k52 n ASN 44 Ca 0.02 -0.95 -0.22 0.00 -0.03 0.00 0.00 54.58 53.40 3k52 n ASN 44 Cb 0.01 -1.71 -0.16 0.00 -0.61 0.00 0.00 39.78 37.31 3k52 n ASN 44 CO 0.00 0.00 0.00 -0.75 -2.62 0.00 0.00 177.26 173.89 3k52 s LYS 45 N -4.90 1.19 -0.26 3.52 2.36 0.67 -5.03 119.74 117.29 3k52 s LYS 45 Ca 0.00 -0.34 -0.29 0.00 -2.55 0.00 0.00 55.97 52.79 3k52 s LYS 45 Cb -0.00 -1.07 0.00 0.00 -1.05 0.00 0.00 37.83 35.71 3k52 s LYS 45 CO 0.89 0.10 1.17 -1.21 1.55 0.00 0.00 175.35 177.85 3k52 s GLU 46 N 0.33 4.10 -0.09 4.03 0.41 -1.26 -4.59 118.70 121.63 3k52 s GLU 46 Ca -0.06 1.31 0.03 0.00 -0.41 0.00 0.00 54.97 55.83 3k52 s GLU 46 Cb -0.11 -3.76 0.01 0.00 -1.78 0.00 0.00 34.13 28.49 3k52 s GLU 46 CO 0.01 -0.86 -0.16 -1.50 -0.49 0.00 0.00 175.26 172.25 3k52 s ILE 47 N 3.72 1.50 -0.20 -1.63 2.07 -1.26 -2.02 121.20 123.38 3k52 s ILE 47 Ca 0.50 -0.68 -0.05 0.00 -1.41 0.00 0.00 60.65 59.01 3k52 s ILE 47 Cb -0.16 -1.34 -0.03 0.00 0.13 0.00 0.00 42.46 41.07 3k52 s ILE 47 CO 0.15 0.44 0.01 -0.54 -1.91 0.00 0.00 174.94 173.09 3k52 s LYS 48 N 0.64 3.67 -0.09 3.50 1.02 -0.59 -4.99 119.74 122.89 3k52 s LYS 48 Ca -0.14 -0.50 0.03 0.00 0.02 0.00 0.00 55.97 55.38 3k52 s LYS 48 Cb -0.16 -3.10 0.01 0.00 -0.52 0.00 0.00 37.83 34.05 3k52 s LYS 48 CO 0.04 0.04 -0.20 -1.17 -0.92 0.00 0.00 175.35 173.15 3k52 s LEU 49 N 0.93 1.94 -0.09 3.17 2.96 -1.26 0.94 118.68 127.27 3k52 s LEU 49 Ca 0.02 -0.47 0.03 0.00 -0.22 0.00 0.00 54.13 53.48 3k52 s LEU 49 Cb -0.14 -1.22 -0.01 0.00 0.50 0.00 0.00 46.19 45.32 3k52 s LEU 49 CO 0.02 0.11 -0.20 -0.63 -1.32 0.00 0.00 176.35 174.33 3k52 s ILE 50 N 0.48 2.50 -0.02 6.68 1.01 -0.02 -4.05 121.20 127.78 3k52 s ILE 50 Ca -0.17 -0.89 0.00 0.00 0.00 0.00 0.00 60.65 59.60 3k52 s ILE 50 Cb -0.17 -1.98 -0.04 0.00 0.01 0.00 0.00 42.46 40.29 3k52 s ILE 50 CO 0.07 0.56 0.03 -0.76 0.00 0.00 0.00 174.94 174.83 3k52 s LEU 51 N 0.04 3.66 -0.02 2.97 1.43 -0.92 -0.48 118.68 125.36 3k52 s LEU 51 Ca -0.08 0.07 0.03 0.00 -1.03 0.00 0.00 54.13 53.13 3k52 s LEU 51 Cb -0.15 -2.06 -0.00 0.00 0.03 0.00 0.00 46.19 44.01 3k52 s LEU 51 CO 0.05 0.30 -0.10 -0.69 0.23 0.00 0.00 176.35 176.13 3k52 s VAL 52 N -1.09 0.87 0.07 -1.59 1.01 -0.46 -1.12 120.40 118.09 3k52 s VAL 52 Ca 0.19 -0.42 0.03 0.00 0.00 0.00 0.00 61.98 61.78 3k52 s VAL 52 Cb -0.12 -0.76 -0.03 0.00 0.00 0.00 0.00 36.38 35.48 3k52 s VAL 52 CO 0.10 0.26 -0.10 -1.38 0.00 0.00 0.00 175.10 173.98 3k52 s HIS 53 N 0.05 0.92 0.00 5.22 -3.43 -0.63 -0.61 115.29 116.82 3k52 s HIS 53 Ca -0.01 -0.55 0.00 0.00 -0.80 0.00 0.00 55.06 53.70 3k52 s HIS 53 Cb -0.08 -0.53 0.00 0.00 -1.43 0.00 0.00 32.58 30.55 3k52 s HIS 53 CO 0.00 -0.03 0.00 0.41 -2.00 0.00 0.00 174.74 173.12 3k52 n GLY 54 N 1.10 -0.09 0.13 -1.38 0.00 -1.26 -0.94 105.19 102.75 3k52 n GLY 54 Ca -0.20 -1.75 0.12 0.00 0.00 0.00 0.00 46.02 44.18 3k52 n GLY 54 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 3k52 h GLY 55 N 0.00 0.00 0.00 -0.02 0.00 -1.96 -3.37 103.07 97.73 3k52 h GLY 55 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 3k52 h GLY 55 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 176.54 177.15 3k52 n GLY 56 N 1.18 1.79 0.73 4.60 0.00 -1.26 -0.68 105.19 111.55 3k52 n GLY 56 Ca 0.01 -0.40 0.01 0.00 0.00 0.00 0.00 46.02 45.65 3k52 n GLY 56 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3k52 n ALA 57 N 6.17 2.72 -0.01 4.61 0.00 -1.26 -3.94 120.51 128.80 3k52 n ALA 57 Ca 0.00 -0.30 -0.03 0.00 0.00 0.00 0.00 53.44 53.11 3k52 n ALA 57 Cb 0.00 -1.02 -0.01 0.00 0.00 0.00 0.00 19.45 18.42 3k52 n ALA 57 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 177.50 178.69 3k52 n PHE 58 N 0.10 0.00 0.17 0.00 3.72 0.15 0.24 117.46 121.84 3k52 n PHE 58 Ca 0.04 0.00 -0.14 0.00 -0.05 0.00 0.00 57.45 57.31 3k52 n PHE 58 Cb 0.40 -0.17 -0.08 0.00 -0.94 0.00 0.00 39.48 38.69 3k52 n PHE 58 CO 0.00 0.00 0.00 0.78 -0.05 0.00 0.00 176.76 177.49 3k52 h GLY 59 N -0.34 -0.46 1.00 1.37 0.00 -1.32 -3.24 103.07 100.07 3k52 h GLY 59 Ca 0.00 0.17 -0.01 0.00 0.00 0.00 0.00 47.33 47.49 3k52 h GLY 59 CO 0.00 -0.17 -0.12 0.45 0.00 0.00 0.00 176.54 176.70 3k52 h HIS 60 N -0.71 -0.32 -0.56 5.60 3.86 -1.79 -0.31 115.15 120.92 3k52 h HIS 60 Ca -0.04 -0.01 0.09 0.00 -1.16 0.00 0.00 60.37 59.25 3k52 h HIS 60 Cb 0.49 0.11 -0.07 0.00 1.06 0.00 0.00 27.41 28.99 3k52 h HIS 60 CO 0.01 -0.20 0.15 -1.35 0.86 0.00 0.00 177.93 177.40 3k52 h PRO 61 N -0.35 0.29 -0.28 2.45 0.11 -1.83 0.11 132.00 132.50 3k52 h PRO 61 Ca -0.04 -0.02 -0.10 0.00 0.11 0.00 0.00 66.00 65.95 3k52 h PRO 61 Cb 0.27 -0.07 -0.01 0.00 0.11 0.00 0.00 31.00 31.31 3k52 h PRO 61 CO 0.06 0.19 -0.22 0.28 -0.21 0.00 0.00 178.00 178.10 3k52 h VAL 62 N 0.30 1.30 -0.93 3.15 2.07 -1.56 -3.21 116.25 117.37 3k52 h VAL 62 Ca 0.28 -1.37 0.02 0.00 0.82 0.00 0.00 66.70 66.45 3k52 h VAL 62 Cb 0.38 1.57 -0.05 0.00 -1.52 0.00 0.00 31.29 31.67 3k52 h VAL 62 CO -0.34 0.44 0.61 0.00 0.02 0.00 0.00 177.57 178.30 3k52 h ALA 63 N 0.71 1.20 -0.38 1.67 0.00 -0.23 -2.44 119.26 119.80 3k52 h ALA 63 Ca 0.05 -0.05 0.05 0.00 0.00 0.00 0.00 54.91 54.96 3k52 h ALA 63 Cb 0.78 -0.35 -0.02 0.00 0.00 0.00 0.00 17.79 18.20 3k52 h ALA 63 CO 0.06 0.52 0.26 0.87 0.00 0.00 0.00 179.25 180.96 3k52 h LYS 64 N 1.21 0.29 0.00 0.00 1.57 -1.01 -0.26 116.57 118.38 3k52 h LYS 64 Ca 0.36 -0.02 -0.01 0.00 -1.87 0.00 0.00 60.65 59.11 3k52 h LYS 64 Cb -0.07 -0.07 -0.00 0.00 0.08 0.00 0.00 32.23 32.17 3k52 h LYS 64 CO -0.10 0.20 -0.04 0.87 -0.57 0.00 0.00 179.45 179.81 3k52 h LYS 65 N 0.30 0.00 -0.24 3.15 1.57 -1.51 -2.11 116.57 117.72 3k52 h LYS 65 Ca 0.16 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.94 3k52 h LYS 65 Cb 0.27 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.58 3k52 h LYS 65 CO -0.04 0.04 0.00 0.66 -0.57 0.00 0.00 179.45 179.54 3k52 n TYR 66 N -3.42 0.86 -4.67 -1.35 4.01 -0.12 -4.97 117.16 107.50 3k52 n TYR 66 Ca -0.02 -0.87 -0.34 0.00 -0.16 0.00 0.00 57.90 56.51 3k52 n TYR 66 Cb 0.15 -0.29 -0.12 0.00 -0.31 0.00 0.00 39.34 38.77 3k52 n TYR 66 CO 0.00 0.00 0.00 -0.51 -0.46 0.00 0.00 176.86 175.89 3k52 s LEU 67 N -2.77 3.09 0.08 7.72 1.43 -0.80 -1.36 118.68 126.06 3k52 s LEU 67 Ca 0.41 -0.06 0.03 0.00 -1.03 0.00 0.00 54.13 53.48 3k52 s LEU 67 Cb 0.33 -1.67 -0.03 0.00 0.03 0.00 0.00 46.19 44.85 3k52 s LEU 67 CO 0.09 0.35 -0.09 -0.54 0.23 0.00 0.00 176.35 176.39 3k52 s LYS 68 N -0.74 0.73 -0.26 1.70 -0.14 -0.23 -4.96 119.74 115.84 3k52 s LYS 68 Ca 0.11 -1.05 -0.14 0.00 -1.36 0.00 0.00 55.97 53.54 3k52 s LYS 68 Cb -0.11 -0.38 -0.04 0.00 -1.68 0.00 0.00 37.83 35.62 3k52 s LYS 68 CO 0.01 0.05 0.31 0.42 -0.76 0.00 0.00 175.35 175.39 3k52 s ILE 69 N -2.31 5.22 -0.12 2.17 -1.09 -1.25 -0.85 121.20 122.99 3k52 s ILE 69 Ca 0.01 0.45 -0.01 0.00 -2.23 0.00 0.00 60.65 58.87 3k52 s ILE 69 Cb -0.04 -3.64 0.04 0.00 -1.58 0.00 0.00 42.46 37.24 3k52 s ILE 69 CO -0.01 0.20 -0.01 -0.70 -1.23 0.00 0.00 174.94 173.19 3k52 s GLU 70 N 1.86 0.90 -1.22 2.79 2.12 0.86 -4.83 118.70 121.18 3k52 s GLU 70 Ca 0.13 -0.15 -0.02 0.00 0.36 0.00 0.00 54.97 55.29 3k52 s GLU 70 Cb -0.16 -1.46 -0.01 0.00 0.26 0.00 0.00 34.13 32.76 3k52 s GLU 70 CO 0.10 -0.38 0.87 -3.47 -0.54 0.00 0.00 175.26 171.83 3k52 n ASP 71 N 5.05 -2.39 -3.56 -1.70 4.64 -1.26 -2.60 116.55 114.74 3k52 n ASP 71 Ca -0.09 -0.72 -0.22 0.00 -1.38 0.00 0.00 54.79 52.38 3k52 n ASP 71 Cb 0.49 -4.66 0.08 0.00 -1.04 0.00 0.00 41.12 35.99 3k52 n ASP 71 CO 0.00 0.00 0.00 0.61 -0.82 0.00 0.00 177.20 176.99 3k52 n GLY 72 N -1.33 -0.50 3.80 0.27 0.00 -1.26 -4.98 105.19 101.19 3k52 n GLY 72 Ca -0.26 0.21 -0.07 0.00 0.00 0.00 0.00 46.02 45.90 3k52 n GLY 72 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3k52 s LYS 73 N -6.05 1.74 -0.08 1.61 1.02 -1.07 -5.15 119.74 111.75 3k52 s LYS 73 Ca 0.42 -1.05 -0.05 0.00 0.02 0.00 0.00 55.97 55.31 3k52 s LYS 73 Cb -0.19 0.58 -0.04 0.00 -0.52 0.00 0.00 37.83 37.66 3k52 s LYS 73 CO 0.73 -0.79 0.11 0.15 -0.92 0.00 0.00 175.35 174.64 3k52 s LYS 74 N -3.92 3.31 -0.16 1.68 1.02 -1.26 -0.10 119.74 120.31 3k52 s LYS 74 Ca 0.14 -0.25 -0.12 0.00 0.02 0.00 0.00 55.97 55.75 3k52 s LYS 74 Cb -0.05 -3.06 0.05 0.00 -0.52 0.00 0.00 37.83 34.25 3k52 s LYS 74 CO 0.08 0.73 0.41 -1.50 -0.92 0.00 0.00 175.35 174.15 3k52 s ILE 75 N -1.06 -0.01 0.27 2.17 2.07 -0.03 -4.90 121.20 119.71 3k52 s ILE 75 Ca 0.17 0.04 -0.24 0.00 -1.41 0.00 0.00 60.65 59.21 3k52 s ILE 75 Cb -0.12 -0.59 -0.09 0.00 0.13 0.00 0.00 42.46 41.79 3k52 s ILE 75 CO 0.07 0.02 0.86 -0.36 -1.91 0.00 0.00 174.94 173.62 3k52 s PHE 76 N 0.72 3.73 0.08 3.50 0.08 -1.26 -1.06 117.98 123.77 3k52 s PHE 76 Ca -0.04 1.66 0.02 0.00 0.12 0.00 0.00 56.93 58.69 3k52 s PHE 76 Cb -0.05 -2.82 -0.04 0.00 -0.57 0.00 0.00 43.02 39.54 3k52 s PHE 76 CO -0.05 0.30 -0.06 0.96 -0.10 0.00 0.00 175.22 176.27 3k52 s ILE 77 N -1.50 0.61 -1.66 0.64 -4.36 -0.46 -4.83 121.20 109.63 3k52 s ILE 77 Ca 0.46 -1.73 -0.03 0.00 -0.26 0.00 0.00 60.65 59.09 3k52 s ILE 77 Cb -0.19 -1.42 0.00 0.00 1.25 0.00 0.00 42.46 42.10 3k52 s ILE 77 CO 0.24 -0.78 0.39 0.59 0.24 0.00 0.00 174.94 175.62 3k52 n ASN 78 N 0.31 -6.10 0.00 4.36 4.13 -1.26 -4.71 115.26 111.99 3k52 n ASN 78 Ca -0.15 -0.19 0.08 0.00 1.68 0.00 0.00 54.58 56.00 3k52 n ASN 78 Cb 0.59 -4.98 0.43 0.00 -1.54 0.00 0.00 39.78 34.28 3k52 n ASN 78 CO 0.00 0.00 0.00 0.23 0.28 0.00 0.00 177.26 177.77 3k52 n MET 79 N -3.67 0.32 0.09 3.52 2.81 -1.26 -0.67 117.12 118.26 3k52 n MET 79 Ca -0.17 0.09 0.10 0.00 -1.81 0.00 0.00 57.70 55.92 3k52 n MET 79 Cb 0.65 -1.50 0.43 0.00 -0.71 0.00 0.00 33.22 32.09 3k52 n MET 79 CO 0.00 0.00 0.00 -0.85 1.51 0.00 0.00 175.97 176.63 3k52 n GLU 80 N -1.19 0.13 -0.02 0.03 0.00 -1.26 -1.86 120.64 116.46 3k52 n GLU 80 Ca 0.09 0.37 -0.03 0.00 0.00 0.00 0.00 57.16 57.59 3k52 n GLU 80 Cb 0.10 -1.75 -0.02 0.00 0.00 0.00 0.00 31.44 29.77 3k52 n GLU 80 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.13 178.76 3k52 n LYS 81 N -1.99 0.13 -0.07 3.44 4.76 0.16 -4.83 118.16 119.75 3k52 n LYS 81 Ca 0.02 0.03 -0.08 0.00 -2.87 0.00 0.00 58.31 55.42 3k52 n LYS 81 Cb 0.20 -1.09 -0.01 0.00 -1.84 0.00 0.00 35.03 32.30 3k52 n LYS 81 CO 0.00 0.00 0.00 0.78 -1.37 0.00 0.00 177.40 176.81 3k52 h GLY 82 N 0.36 0.34 0.53 0.72 0.00 -0.89 -1.43 103.07 102.70 3k52 h GLY 82 Ca -0.10 -0.04 0.01 0.00 0.00 0.00 0.00 47.33 47.19 3k52 h GLY 82 CO -0.02 0.01 -0.36 -2.75 0.00 0.00 0.00 176.54 173.43 3k52 h PHE 83 N 0.20 -0.97 -0.19 5.60 3.57 -1.64 -1.63 116.94 121.87 3k52 h PHE 83 Ca 0.13 0.01 0.02 0.00 3.53 0.00 0.00 57.97 61.66 3k52 h PHE 83 Cb 0.11 0.39 -0.02 0.00 2.79 0.00 0.00 35.95 39.22 3k52 h PHE 83 CO -0.15 -0.49 0.06 2.35 -2.23 0.00 0.00 178.31 177.86 3k52 h TRP 84 N -0.68 0.11 -0.78 0.41 -0.00 -1.77 -1.41 115.95 111.83 3k52 h TRP 84 Ca -0.00 0.01 0.18 0.00 -0.00 0.00 0.00 58.89 59.08 3k52 h TRP 84 Cb 0.65 -0.02 -0.12 0.00 -0.00 0.00 0.00 29.16 29.66 3k52 h TRP 84 CO -0.25 0.05 0.14 0.93 -0.00 0.00 0.00 178.44 179.31 3k52 h GLU 85 N 0.15 0.20 -0.11 2.65 4.39 -0.92 0.75 114.58 121.68 3k52 h GLU 85 Ca 0.08 -0.01 -0.18 0.00 0.34 0.00 0.00 59.36 59.59 3k52 h GLU 85 Cb 0.06 -0.04 0.01 0.00 -0.10 0.00 0.00 28.75 28.67 3k52 h GLU 85 CO -0.09 0.13 -0.65 0.82 -1.16 0.00 0.00 179.01 178.06 3k52 h ILE 86 N 0.20 1.33 -0.19 3.13 2.04 -1.05 -2.28 117.51 120.68 3k52 h ILE 86 Ca 0.45 -1.92 0.05 0.00 1.00 0.00 0.00 64.86 64.44 3k52 h ILE 86 Cb 0.81 2.14 -0.06 0.00 -0.74 0.00 0.00 36.82 38.98 3k52 h ILE 86 CO -0.59 0.59 -0.19 1.56 0.00 0.00 0.00 178.15 179.51 3k52 h GLN 87 N 0.29 -0.20 -0.15 2.37 4.20 -0.32 -1.55 115.11 119.74 3k52 h GLN 87 Ca -0.05 0.01 0.05 0.00 0.06 0.00 0.00 58.65 58.72 3k52 h GLN 87 Cb 1.29 0.05 -0.05 0.00 0.30 0.00 0.00 27.48 29.06 3k52 h GLN 87 CO 0.13 -0.14 -0.17 -0.09 -0.67 0.00 0.00 178.83 177.89 3k52 h ARG 88 N -0.21 -0.20 -0.35 1.46 2.43 0.59 0.19 114.38 118.28 3k52 h ARG 88 Ca 0.12 0.01 -0.00 0.00 -0.81 0.00 0.00 59.98 59.30 3k52 h ARG 88 Cb 0.39 0.05 -0.02 0.00 -0.42 0.00 0.00 29.97 29.97 3k52 h ARG 88 CO -0.32 -0.13 0.20 0.00 -1.51 0.00 0.00 179.97 178.21 3k52 h ALA 89 N 0.84 0.45 -0.54 2.80 0.00 -1.29 -2.18 119.26 119.34 3k52 h ALA 89 Ca 0.10 -0.06 -0.02 0.00 0.00 0.00 0.00 54.91 54.94 3k52 h ALA 89 Cb 0.36 -0.14 -0.03 0.00 0.00 0.00 0.00 17.79 17.99 3k52 h ALA 89 CO -0.28 -0.04 0.28 0.52 0.00 0.00 0.00 179.25 179.74 3k52 h MET 90 N 0.45 0.77 -0.91 0.00 2.86 -0.95 -2.50 114.93 114.65 3k52 h MET 90 Ca 0.13 -0.10 0.12 0.00 -2.06 0.00 0.00 59.70 57.79 3k52 h MET 90 Cb 0.03 -0.14 -0.07 0.00 0.06 0.00 0.00 31.60 31.48 3k52 h MET 90 CO -0.02 0.62 0.58 0.00 1.06 0.00 0.00 176.91 179.15 3k52 h ARG 91 N 0.73 0.79 0.45 1.72 3.08 -0.34 0.21 114.38 121.01 3k52 h ARG 91 Ca 0.19 -0.05 -0.02 0.00 0.07 0.00 0.00 59.98 60.17 3k52 h ARG 91 Cb 0.08 -0.18 0.00 0.00 0.08 0.00 0.00 29.97 29.96 3k52 h ARG 91 CO -0.03 0.52 -0.21 -0.09 -1.07 0.00 0.00 179.97 179.09 3k52 h ARG 92 N 0.82 -0.58 -0.51 0.04 9.65 -1.04 -1.19 114.38 121.57 3k52 h ARG 92 Ca 0.44 0.04 0.08 0.00 -1.10 0.00 0.00 59.98 59.45 3k52 h ARG 92 Cb 0.56 0.13 -0.07 0.00 -1.39 0.00 0.00 29.97 29.20 3k52 h ARG 92 CO -0.21 -0.31 0.13 0.35 2.80 0.00 0.00 179.97 182.73 3k52 h PHE 93 N -0.74 0.21 -0.70 2.20 3.57 -1.02 -0.72 116.94 119.74 3k52 h PHE 93 Ca -0.06 0.03 0.04 0.00 3.53 0.00 0.00 57.97 61.51 3k52 h PHE 93 Cb 0.53 -0.02 -0.05 0.00 2.79 0.00 0.00 35.95 39.20 3k52 h PHE 93 CO -0.01 0.02 0.43 -0.97 -2.23 0.00 0.00 178.31 175.55 3k52 h ASN 94 N 0.28 0.69 0.12 0.41 -1.24 -0.92 -0.67 115.58 114.24 3k52 h ASN 94 Ca 0.26 0.01 0.01 0.00 0.71 0.00 0.00 56.30 57.28 3k52 h ASN 94 Cb 0.33 -0.14 -0.01 0.00 0.73 0.00 0.00 38.32 39.23 3k52 h ASN 94 CO -0.31 0.47 -0.13 0.78 -1.29 0.00 0.00 177.43 176.94 3k52 h ASN 95 N 0.82 -0.36 -0.42 1.15 2.35 -0.15 0.49 115.58 119.46 3k52 h ASN 95 Ca 0.29 0.04 0.06 0.00 -0.55 0.00 0.00 56.30 56.13 3k52 h ASN 95 Cb 0.07 0.13 -0.05 0.00 0.05 0.00 0.00 38.32 38.52 3k52 h ASN 95 CO -0.13 -0.20 0.13 0.40 -1.65 0.00 0.00 177.43 175.97 3k52 h ILE 96 N -0.29 0.84 -0.06 2.81 2.04 -0.81 0.38 117.51 122.41 3k52 h ILE 96 Ca 0.01 -0.10 -0.01 0.00 1.00 0.00 0.00 64.86 65.77 3k52 h ILE 96 Cb 0.28 0.54 -0.00 0.00 -0.74 0.00 0.00 36.82 36.90 3k52 h ILE 96 CO -0.05 0.05 0.02 0.40 0.00 0.00 0.00 178.15 178.57 3k52 h ILE 97 N 0.28 1.19 -0.35 -0.67 2.04 -1.01 -2.46 117.51 116.53 3k52 h ILE 97 Ca 0.20 -0.56 -0.06 0.00 1.00 0.00 0.00 64.86 65.44 3k52 h ILE 97 Cb 0.21 1.44 -0.01 0.00 -0.74 0.00 0.00 36.82 37.72 3k52 h ILE 97 CO -0.22 0.16 -0.01 0.40 0.00 0.00 0.00 178.15 178.47 3k52 h ILE 98 N -0.11 1.26 -0.58 -0.67 2.04 -0.66 -0.90 117.51 117.89 3k52 h ILE 98 Ca 0.02 -1.00 0.09 0.00 1.00 0.00 0.00 64.86 64.97 3k52 h ILE 98 Cb 0.23 1.22 -0.07 0.00 -0.74 0.00 0.00 36.82 37.46 3k52 h ILE 98 CO -0.00 0.33 0.19 0.44 0.00 0.00 0.00 178.15 179.11 3k52 h ASP 99 N 0.43 0.16 0.71 1.72 3.32 -0.28 0.11 116.42 122.60 3k52 h ASP 99 Ca 0.10 0.08 -0.03 0.00 0.02 0.00 0.00 57.03 57.20 3k52 h ASP 99 Cb 0.47 0.08 0.01 0.00 0.22 0.00 0.00 39.33 40.11 3k52 h ASP 99 CO 0.02 0.10 -0.34 0.74 -1.72 0.00 0.00 179.24 178.04 3k52 h THR 100 N 0.36 0.27 -1.02 0.35 2.02 -1.26 0.75 112.91 114.38 3k52 h THR 100 Ca 0.29 -0.08 0.25 0.00 0.77 0.00 0.00 66.41 67.65 3k52 h THR 100 Cb 0.38 0.30 -0.10 0.00 -1.74 0.00 0.00 68.15 66.98 3k52 h THR 100 CO -0.32 0.01 0.65 -0.07 0.37 0.00 0.00 175.52 176.16 3k52 h LEU 101 N -1.01 0.52 -0.51 2.58 3.38 -0.73 0.52 115.31 120.05 3k52 h LEU 101 Ca -0.10 0.09 -0.14 0.00 0.09 0.00 0.00 57.88 57.82 3k52 h LEU 101 Cb 0.75 0.01 -0.01 0.00 0.09 0.00 0.00 40.66 41.50 3k52 h LEU 101 CO 0.16 0.11 -0.34 1.56 0.09 0.00 0.00 178.44 180.02 3k52 h GLN 102 N 0.46 0.84 0.00 1.13 1.08 -0.40 -1.70 115.11 116.53 3k52 h GLN 102 Ca 0.60 -0.41 0.00 0.00 -1.45 0.00 0.00 58.65 57.38 3k52 h GLN 102 Cb 1.38 -0.00 0.00 0.00 -0.05 0.00 0.00 27.48 28.81 3k52 h GLN 102 CO -0.33 1.05 0.00 -1.13 -0.95 0.00 0.00 178.83 177.47 3k52 n SER 103 N -4.07 0.00 -0.35 1.46 3.41 0.18 0.19 113.62 114.45 3k52 n SER 103 Ca -0.01 0.08 0.08 0.00 -0.26 0.00 0.00 58.87 58.76 3k52 n SER 103 Cb 0.51 -0.16 0.17 0.00 -0.26 0.00 0.00 64.21 64.48 3k52 n SER 103 CO 0.00 0.00 0.00 -1.22 -0.16 0.00 0.00 175.04 173.66 3k52 n TYR 104 N -1.16 0.05 -2.62 7.33 4.01 -1.07 -4.98 117.16 118.73 3k52 n TYR 104 Ca 0.02 -1.23 -0.20 0.00 -0.16 0.00 0.00 57.90 56.33 3k52 n TYR 104 Cb 0.02 -0.21 0.00 0.00 -0.31 0.00 0.00 39.34 38.85 3k52 n TYR 104 CO 0.00 0.00 0.00 -0.25 -0.46 0.00 0.00 176.86 176.15 3k52 n ASP 105 N -1.27 -5.55 -4.64 7.72 8.00 0.52 -4.93 116.55 116.40 3k52 n ASP 105 Ca 0.18 -0.07 -0.40 0.00 0.71 0.00 0.00 54.79 55.20 3k52 n ASP 105 Cb 0.68 -4.59 -0.06 0.00 -0.02 0.00 0.00 41.12 37.13 3k52 n ASP 105 CO 0.00 0.00 0.00 -0.63 -0.39 0.00 0.00 177.20 176.18 3k52 s ILE 106 N -3.01 5.01 -0.98 0.53 1.01 -0.66 -4.97 121.20 118.14 3k52 s ILE 106 Ca 0.10 1.12 -0.07 0.00 0.00 0.00 0.00 60.65 61.80 3k52 s ILE 106 Cb -0.05 -3.92 -0.06 0.00 0.01 0.00 0.00 42.46 38.44 3k52 s ILE 106 CO 0.13 0.07 2.18 -0.81 0.00 0.00 0.00 174.94 176.50 3k52 n PRO 107 N 5.40 2.21 -2.55 2.79 -0.04 -1.26 -3.77 135.00 137.78 3k52 n PRO 107 Ca -0.01 -1.55 -0.41 0.00 -0.04 0.00 0.00 63.50 61.49 3k52 n PRO 107 Cb 0.49 -2.51 -0.04 0.00 -0.04 0.00 0.00 33.50 31.40 3k52 n PRO 107 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 3k52 s ALA 108 N 3.38 3.37 0.20 0.55 0.00 -1.26 0.10 121.76 128.10 3k52 s ALA 108 Ca 0.43 0.80 0.07 0.00 0.00 0.00 0.00 51.96 53.26 3k52 s ALA 108 Cb 0.11 -3.31 -0.05 0.00 0.00 0.00 0.00 23.12 19.87 3k52 s ALA 108 CO -0.03 -0.11 -0.14 0.14 0.00 0.00 0.00 175.76 175.62 3k52 s VAL 109 N -0.73 1.67 -0.15 0.00 -7.23 0.07 -4.88 120.40 109.15 3k52 s VAL 109 Ca 0.46 -2.18 -0.15 0.00 -1.81 0.00 0.00 61.98 58.30 3k52 s VAL 109 Cb -0.29 -2.01 -0.05 0.00 0.56 0.00 0.00 36.38 34.59 3k52 s VAL 109 CO 0.36 -0.60 0.33 -0.55 -0.31 0.00 0.00 175.10 174.33 3k52 s SER 110 N -3.27 6.48 -0.23 4.85 0.15 -1.26 -0.01 113.70 120.40 3k52 s SER 110 Ca 0.21 0.56 -0.01 0.00 0.70 0.00 0.00 55.95 57.42 3k52 s SER 110 Cb -0.01 -2.20 0.02 0.00 -1.71 0.00 0.00 66.02 62.13 3k52 s SER 110 CO 0.06 0.07 -0.10 -0.63 1.20 0.00 0.00 173.24 173.85 3k52 s ILE 111 N 0.53 2.69 -0.56 6.45 -1.09 -0.28 -4.88 121.20 124.06 3k52 s ILE 111 Ca 0.18 -0.99 -0.04 0.00 -2.23 0.00 0.00 60.65 57.57 3k52 s ILE 111 Cb -0.13 -2.31 0.15 0.00 -1.58 0.00 0.00 42.46 38.58 3k52 s ILE 111 CO 0.05 0.29 0.39 -1.58 -1.23 0.00 0.00 174.94 172.85 3k52 s GLN 112 N 1.32 2.47 0.39 2.79 0.74 -1.26 -3.71 119.66 122.40 3k52 s GLN 112 Ca 0.01 -2.24 0.13 0.00 0.05 0.00 0.00 55.36 53.31 3k52 s GLN 112 Cb -0.16 -3.76 0.95 0.00 1.10 0.00 0.00 33.01 31.14 3k52 s GLN 112 CO -0.06 -1.16 1.89 -1.35 -0.55 0.00 0.00 175.29 174.06 3k52 h PRO 113 N 7.54 0.52 -0.18 1.67 0.11 -1.93 -2.25 132.00 137.48 3k52 h PRO 113 Ca -0.06 -0.03 0.05 0.00 0.11 0.00 0.00 66.00 66.07 3k52 h PRO 113 Cb 1.00 -0.12 -0.01 0.00 0.11 0.00 0.00 31.00 31.98 3k52 h PRO 113 CO 0.73 0.35 0.36 0.66 -0.21 0.00 0.00 178.00 179.89 3k52 h SER 114 N 0.54 0.00 0.87 -2.05 4.64 -1.90 -0.85 113.55 114.80 3k52 h SER 114 Ca 0.41 0.00 -0.19 0.00 -0.47 0.00 0.00 61.79 61.54 3k52 h SER 114 Cb 0.80 0.00 -0.03 0.00 -0.31 0.00 0.00 62.40 62.86 3k52 h SER 114 CO -0.16 0.00 -1.22 0.28 -0.87 0.00 0.00 176.83 174.86 3k52 h SER 115 N 0.00 0.00 0.00 4.97 0.02 -1.72 -3.42 113.55 113.40 3k52 h SER 115 Ca 0.08 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.03 3k52 h SER 115 Cb 0.81 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.35 3k52 h SER 115 CO -0.00 0.74 -0.05 2.22 -1.14 0.00 0.00 176.83 178.59 3k52 n PHE 116 N -3.08 0.00 -2.99 3.45 -0.00 -0.90 -5.07 117.46 108.86 3k52 n PHE 116 Ca -0.07 0.00 -0.40 0.00 -0.00 0.00 0.00 57.45 56.98 3k52 n PHE 116 Cb 0.89 0.00 -0.05 0.00 -0.00 0.00 0.00 39.48 40.32 3k52 n PHE 116 CO 0.00 0.00 0.00 0.08 -0.00 0.00 0.00 176.76 176.84 3k52 s VAL 117 N -0.17 4.80 -0.15 1.97 1.01 -0.37 -4.72 120.40 122.76 3k52 s VAL 117 Ca 0.00 1.59 0.00 0.00 0.00 0.00 0.00 61.98 63.57 3k52 s VAL 117 Cb 0.00 -4.10 -0.01 0.00 0.00 0.00 0.00 36.38 32.27 3k52 s VAL 117 CO 0.00 0.34 -0.14 -0.69 0.00 0.00 0.00 175.10 174.61 3k52 s VAL 118 N 0.11 2.81 -0.67 2.92 1.01 -0.16 -4.36 120.40 122.06 3k52 s VAL 118 Ca 0.38 -0.73 -0.22 0.00 0.00 0.00 0.00 61.98 61.41 3k52 s VAL 118 Cb -0.20 -2.18 0.08 0.00 0.00 0.00 0.00 36.38 34.07 3k52 s VAL 118 CO 0.22 0.52 0.95 0.12 0.00 0.00 0.00 175.10 176.90 3k52 s PHE 119 N 0.65 2.73 0.29 5.22 5.36 -0.54 -0.95 117.98 130.74 3k52 s PHE 119 Ca -0.08 -0.64 0.01 0.00 -0.96 0.00 0.00 56.93 55.27 3k52 s PHE 119 Cb -0.16 -4.26 0.01 0.00 -0.34 0.00 0.00 43.02 38.27 3k52 s PHE 119 CO 0.02 -1.61 0.12 0.41 -1.46 0.00 0.00 175.22 172.71 3k52 n GLY 120 N 5.34 3.35 0.42 13.12 0.00 -1.26 -3.36 105.19 122.79 3k52 n GLY 120 Ca -0.03 -2.27 0.23 0.00 0.00 0.00 0.00 46.02 43.95 3k52 n GLY 120 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 3k52 h ASP 121 N 0.51 0.39 -4.00 1.61 3.32 -2.01 -3.34 116.42 112.91 3k52 h ASP 121 Ca -0.21 0.06 -0.69 0.00 0.02 0.00 0.00 57.03 56.21 3k52 h ASP 121 Cb 0.71 -0.00 -0.23 0.00 0.22 0.00 0.00 39.33 40.03 3k52 h ASP 121 CO 0.34 0.10 -0.79 -0.54 -1.72 0.00 0.00 179.24 176.64 3k52 s LYS 122 N -5.42 2.28 0.24 3.56 1.02 -1.26 -5.11 119.74 115.04 3k52 s LYS 122 Ca -0.08 -0.85 -0.30 0.00 0.02 0.00 0.00 55.97 54.76 3k52 s LYS 122 Cb 0.24 -2.28 -0.09 0.00 -0.52 0.00 0.00 37.83 35.18 3k52 s LYS 122 CO 0.79 0.58 1.32 -0.51 -0.92 0.00 0.00 175.35 176.61 3k52 s LEU 123 N -1.13 4.42 -0.41 3.17 1.02 -1.26 -4.82 118.68 119.68 3k52 s LEU 123 Ca 0.13 2.50 -0.15 0.00 0.02 0.00 0.00 54.13 56.64 3k52 s LEU 123 Cb -0.11 -3.62 0.02 0.00 0.02 0.00 0.00 46.19 42.50 3k52 s LEU 123 CO 0.03 -0.54 0.30 -0.63 0.02 0.00 0.00 176.35 175.53 3k52 s ILE 124 N -0.24 5.23 -0.42 -0.59 1.01 -0.13 -4.93 121.20 121.12 3k52 s ILE 124 Ca 0.55 -0.68 0.06 0.00 0.00 0.00 0.00 60.65 60.58 3k52 s ILE 124 Cb -0.38 -3.92 0.17 0.00 0.01 0.00 0.00 42.46 38.35 3k52 s ILE 124 CO 0.42 -0.31 0.55 0.12 0.00 0.00 0.00 174.94 175.72 3k52 s PHE 125 N 1.67 -0.97 0.01 3.97 5.99 -1.26 -0.99 117.98 126.40 3k52 s PHE 125 Ca 0.05 -0.55 -0.30 0.00 0.00 0.00 0.00 56.93 56.13 3k52 s PHE 125 Cb -0.19 -0.03 -0.07 0.00 0.00 0.00 0.00 43.02 42.73 3k52 s PHE 125 CO 0.10 -1.10 1.64 0.34 -0.00 0.00 0.00 175.22 176.20 3k52 s ASP 126 N 1.30 6.65 -0.15 6.13 -1.08 -1.26 -4.88 116.67 123.38 3k52 s ASP 126 Ca 0.21 2.35 0.15 0.00 -0.52 0.00 0.00 52.55 54.75 3k52 s ASP 126 Cb -0.06 -2.55 0.57 0.00 -1.46 0.00 0.00 42.92 39.42 3k52 s ASP 126 CO -0.06 -0.89 1.48 0.35 0.52 0.00 0.00 175.17 176.56 3k52 n THR 127 N 5.09 2.10 0.28 1.71 -2.24 -1.26 -4.69 114.28 115.27 3k52 n THR 127 Ca 0.16 -1.58 -0.16 0.00 -2.27 0.00 0.00 64.05 60.20 3k52 n THR 127 Cb 0.42 -0.09 -0.08 0.00 -2.10 0.00 0.00 70.33 68.48 3k52 n THR 127 CO 0.00 0.00 0.00 0.28 -0.57 0.00 0.00 175.07 174.78 3k52 h SER 128 N 2.48 -0.90 -1.01 3.42 0.02 -2.00 -2.18 113.55 113.39 3k52 h SER 128 Ca 0.00 0.06 0.01 0.00 -0.84 0.00 0.00 61.79 61.03 3k52 h SER 128 Cb 1.42 0.28 -0.05 0.00 0.14 0.00 0.00 62.40 64.19 3k52 h SER 128 CO 0.23 -0.52 0.67 0.00 -1.14 0.00 0.00 176.83 176.07 3k52 h ALA 129 N -0.38 1.29 -0.50 3.77 0.00 -2.00 -1.89 119.26 119.55 3k52 h ALA 129 Ca -0.05 -0.07 0.02 0.00 0.00 0.00 0.00 54.91 54.82 3k52 h ALA 129 Cb 0.68 -0.40 -0.03 0.00 0.00 0.00 0.00 17.79 18.03 3k52 h ALA 129 CO 0.01 0.65 0.30 0.82 0.00 0.00 0.00 179.25 181.04 3k52 h ILE 130 N 1.35 1.06 -0.43 0.00 2.04 -1.85 0.86 117.51 120.55 3k52 h ILE 130 Ca 0.37 -0.21 0.04 0.00 1.00 0.00 0.00 64.86 66.07 3k52 h ILE 130 Cb -0.13 0.40 -0.04 0.00 -0.74 0.00 0.00 36.82 36.31 3k52 h ILE 130 CO -0.09 0.11 0.20 0.11 0.00 0.00 0.00 178.15 178.48 3k52 h LYS 131 N 0.60 0.39 -0.77 2.37 1.57 -0.71 0.14 116.57 120.16 3k52 h LYS 131 Ca 0.20 -0.02 -0.05 0.00 -1.87 0.00 0.00 60.65 58.91 3k52 h LYS 131 Cb 0.01 -0.09 -0.03 0.00 0.08 0.00 0.00 32.23 32.20 3k52 h LYS 131 CO -0.09 0.26 0.29 0.93 -0.57 0.00 0.00 179.45 180.27 3k52 h GLU 132 N 0.40 1.16 -0.45 3.15 4.39 -0.93 0.66 114.58 122.97 3k52 h GLU 132 Ca 0.19 -0.22 -0.01 0.00 0.34 0.00 0.00 59.36 59.65 3k52 h GLU 132 Cb 0.12 -0.18 -0.02 0.00 -0.10 0.00 0.00 28.75 28.56 3k52 h GLU 132 CO -0.15 0.96 0.23 0.52 -1.16 0.00 0.00 179.01 179.41 3k52 h MET 133 N 1.12 0.63 -0.60 2.33 2.86 -0.22 -1.75 114.93 119.30 3k52 h MET 133 Ca 0.25 -0.08 -0.04 0.00 -2.06 0.00 0.00 59.70 57.77 3k52 h MET 133 Cb 0.24 -0.12 -0.03 0.00 0.06 0.00 0.00 31.60 31.76 3k52 h MET 133 CO -0.02 0.52 0.21 -0.07 1.06 0.00 0.00 176.91 178.61 3k52 h LEU 134 N 0.58 0.86 -1.83 1.22 3.38 -0.75 -1.24 115.31 117.54 3k52 h LEU 134 Ca 0.16 -0.20 0.24 0.00 0.09 0.00 0.00 57.88 58.17 3k52 h LEU 134 Cb 0.08 -0.22 -0.05 0.00 0.09 0.00 0.00 40.66 40.56 3k52 h LEU 134 CO -0.02 0.83 0.63 0.50 0.09 0.00 0.00 178.44 180.46 3k52 h LYS 135 N 0.85 0.13 -0.48 1.13 3.64 -0.33 0.45 116.57 121.97 3k52 h LYS 135 Ca 0.20 -0.01 0.00 0.00 -1.27 0.00 0.00 60.65 59.57 3k52 h LYS 135 Cb 0.26 -0.03 0.00 0.00 -0.41 0.00 0.00 32.23 32.05 3k52 h LYS 135 CO -0.01 0.09 0.00 0.54 -2.27 0.00 0.00 179.45 177.80 3k52 n ARG 136 N -4.36 4.03 -1.11 1.90 1.74 -0.62 -4.94 116.66 113.30 3k52 n ARG 136 Ca 0.19 -2.99 -0.04 0.00 -0.77 0.00 0.00 57.85 54.25 3k52 n ARG 136 Cb 0.88 -2.04 -0.02 0.00 -1.02 0.00 0.00 32.46 30.26 3k52 n ARG 136 CO 0.00 0.00 0.00 -1.71 -1.52 0.00 0.00 177.63 174.40 3k52 n ASN 137 N 0.32 -4.04 -4.85 0.55 4.05 0.15 -5.01 115.26 106.43 3k52 n ASN 137 Ca 0.25 0.09 -0.32 0.00 0.45 0.00 0.00 54.58 55.05 3k52 n ASN 137 Cb 1.03 -1.87 -0.02 0.00 1.23 0.00 0.00 39.78 40.15 3k52 n ASN 137 CO 0.00 0.00 0.00 -0.76 -3.05 0.00 0.00 177.26 173.45 3k52 s LEU 138 N -0.85 3.51 -0.51 1.20 1.43 -0.57 -4.85 118.68 118.03 3k52 s LEU 138 Ca 0.00 1.55 -0.09 0.00 -1.03 0.00 0.00 54.13 54.56 3k52 s LEU 138 Cb 0.00 -4.50 0.13 0.00 0.03 0.00 0.00 46.19 41.85 3k52 s LEU 138 CO 0.00 -0.71 0.39 -0.69 0.23 0.00 0.00 176.35 175.57 3k52 s VAL 139 N -2.76 4.29 0.01 -1.59 1.01 0.11 -4.35 120.40 117.13 3k52 s VAL 139 Ca 0.58 -1.95 -0.30 0.00 0.00 0.00 0.00 61.98 60.31 3k52 s VAL 139 Cb -0.11 -3.81 -0.06 0.00 0.00 0.00 0.00 36.38 32.40 3k52 s VAL 139 CO 0.38 -0.81 1.50 -2.84 0.00 0.00 0.00 175.10 173.32 3k52 s PRO 140 N 1.14 4.25 -0.35 2.72 0.02 -1.26 -0.75 135.00 140.76 3k52 s PRO 140 Ca 0.08 2.09 -0.06 0.00 0.02 0.00 0.00 61.00 63.12 3k52 s PRO 140 Cb -0.25 -3.63 0.05 0.00 0.02 0.00 0.00 34.50 30.70 3k52 s PRO 140 CO -0.02 -0.65 0.13 0.08 -0.33 0.00 0.00 177.00 176.21 3k52 s VAL 141 N 2.66 3.71 0.07 3.83 1.01 0.98 -2.16 120.40 130.51 3k52 s VAL 141 Ca 0.67 -1.30 -0.06 0.00 0.00 0.00 0.00 61.98 61.29 3k52 s VAL 141 Cb -0.34 -3.18 -0.05 0.00 0.00 0.00 0.00 36.38 32.81 3k52 s VAL 141 CO 0.28 -0.28 0.33 -0.63 0.00 0.00 0.00 175.10 174.80 3k52 s ILE 142 N 1.36 5.22 0.10 2.22 1.09 -0.28 -1.12 121.20 129.79 3k52 s ILE 142 Ca -0.00 0.14 0.04 0.00 -1.10 0.00 0.00 60.65 59.73 3k52 s ILE 142 Cb -0.20 -3.61 -0.04 0.00 -1.06 0.00 0.00 42.46 37.55 3k52 s ILE 142 CO 0.01 0.23 -0.11 -1.38 -0.10 0.00 0.00 174.94 173.59 3k52 s HIS 143 N -1.45 1.12 0.62 3.97 -3.43 -1.24 -1.61 115.29 113.27 3k52 s HIS 143 Ca 0.34 -0.63 -0.18 0.00 -0.80 0.00 0.00 55.06 53.78 3k52 s HIS 143 Cb -0.13 -0.61 -0.04 0.00 -1.43 0.00 0.00 32.58 30.38 3k52 s HIS 143 CO 0.20 0.02 1.02 0.41 -2.00 0.00 0.00 174.74 174.39 3k52 n GLY 144 N 0.58 -0.19 3.64 -1.38 0.00 -0.11 -4.63 105.19 103.10 3k52 n GLY 144 Ca -0.16 -0.16 -0.09 0.00 0.00 0.00 0.00 46.02 45.61 3k52 n GLY 144 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 3k52 s ASP 145 N -1.31 -0.38 0.36 1.61 -1.08 -0.06 -4.78 116.67 111.03 3k52 s ASP 145 Ca 0.78 -0.29 -0.25 0.00 -0.52 0.00 0.00 52.55 52.27 3k52 s ASP 145 Cb -0.40 0.62 -0.10 0.00 -1.46 0.00 0.00 42.92 41.58 3k52 s ASP 145 CO 0.45 -1.08 0.97 -0.51 0.52 0.00 0.00 175.17 175.52 3k52 s ILE 146 N -3.70 4.15 0.06 4.11 1.10 -1.26 -0.87 121.20 124.78 3k52 s ILE 146 Ca 0.07 1.65 -0.13 0.00 -0.51 0.00 0.00 60.65 61.73 3k52 s ILE 146 Cb -0.03 -3.85 0.02 0.00 0.15 0.00 0.00 42.46 38.74 3k52 s ILE 146 CO -0.03 0.01 0.29 0.68 -2.11 0.00 0.00 174.94 173.78 3k52 s VAL 147 N -1.75 0.10 0.43 4.00 -7.23 -0.32 -3.95 120.40 111.67 3k52 s VAL 147 Ca 0.54 -0.78 -0.19 0.00 -1.81 0.00 0.00 61.98 59.74 3k52 s VAL 147 Cb -0.17 -1.05 -0.10 0.00 0.56 0.00 0.00 36.38 35.62 3k52 s VAL 147 CO 0.22 -0.43 0.91 0.27 -0.31 0.00 0.00 175.10 175.76 3k52 s ILE 148 N -3.00 4.48 0.50 -0.62 -5.25 -1.26 -0.32 121.20 115.74 3k52 s ILE 148 Ca -0.02 1.31 0.07 0.00 -0.99 0.00 0.00 60.65 61.02 3k52 s ILE 148 Cb 0.01 -3.63 0.07 0.00 2.95 0.00 0.00 42.46 41.86 3k52 s ILE 148 CO -0.06 -0.37 0.60 -0.90 -1.79 0.00 0.00 174.94 172.42 3k52 n ASP 149 N -0.79 2.08 -2.02 4.36 5.68 -0.40 -1.47 116.55 123.98 3k52 n ASP 149 Ca 0.06 -2.46 -0.10 0.00 -0.50 0.00 0.00 54.79 51.80 3k52 n ASP 149 Cb 0.54 -0.27 0.27 0.00 -1.14 0.00 0.00 41.12 40.51 3k52 n ASP 149 CO 0.00 0.00 0.00 -0.90 -1.33 0.00 0.00 177.20 174.97 3k52 n ASP 150 N -2.24 4.51 -3.08 -1.12 5.68 -1.21 -4.48 116.55 114.61 3k52 n ASP 150 Ca 0.10 -3.25 -0.17 0.00 -0.50 0.00 0.00 54.79 50.97 3k52 n ASP 150 Cb 0.54 -0.76 -0.02 0.00 -1.14 0.00 0.00 41.12 39.74 3k52 n ASP 150 CO 0.00 0.00 0.00 0.29 -1.33 0.00 0.00 177.20 176.16 3k52 n LYS 151 N -0.34 1.09 -1.00 0.11 4.76 -1.26 -4.96 118.16 116.56 3k52 n LYS 151 Ca 0.44 -3.41 -0.05 0.00 -2.87 0.00 0.00 58.31 52.42 3k52 n LYS 151 Cb 1.42 -1.64 -0.02 0.00 -1.84 0.00 0.00 35.03 32.95 3k52 n LYS 151 CO 0.00 0.00 0.00 0.09 -1.37 0.00 0.00 177.40 176.12 3k52 n ASN 152 N 0.19 -4.75 -1.14 4.39 3.02 -1.26 -4.87 115.26 110.85 3k52 n ASN 152 Ca 0.22 0.12 0.00 0.00 -0.03 0.00 0.00 54.58 54.89 3k52 n ASN 152 Cb 0.68 -3.24 0.00 0.00 -0.61 0.00 0.00 39.78 36.61 3k52 n ASN 152 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 3k52 n GLY 153 N 0.50 4.59 3.29 7.41 0.00 -1.26 -5.04 105.19 114.68 3k52 n GLY 153 Ca -0.05 -1.86 -0.16 0.00 0.00 0.00 0.00 46.02 43.96 3k52 n GLY 153 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 3k52 s TYR 154 N -1.25 1.43 -0.10 1.61 2.02 -1.26 -1.27 117.35 118.53 3k52 s TYR 154 Ca 0.00 -0.75 -0.15 0.00 -0.37 0.00 0.00 57.07 55.80 3k52 s TYR 154 Cb 0.00 -0.74 0.04 0.00 -0.40 0.00 0.00 41.96 40.85 3k52 s TYR 154 CO 0.00 0.12 0.38 0.50 -1.57 0.00 0.00 175.55 174.98 3k52 s ARG 155 N -3.75 0.55 -0.18 -0.62 6.06 0.57 -4.78 118.95 116.80 3k52 s ARG 155 Ca 0.21 0.30 -0.22 0.00 -2.50 0.00 0.00 55.73 53.52 3k52 s ARG 155 Cb 0.03 0.26 -0.02 0.00 0.06 0.00 0.00 34.95 35.27 3k52 s ARG 155 CO 0.04 -0.11 0.70 0.42 -2.50 0.00 0.00 175.30 173.85 3k52 s ILE 156 N -0.33 4.97 -0.26 4.11 -1.09 -1.26 -1.18 121.20 126.16 3k52 s ILE 156 Ca -0.05 1.36 -0.10 0.00 -2.23 0.00 0.00 60.65 59.62 3k52 s ILE 156 Cb -0.03 -4.02 -0.05 0.00 -1.58 0.00 0.00 42.46 36.78 3k52 s ILE 156 CO 0.02 0.09 0.17 -0.51 -1.23 0.00 0.00 174.94 173.48 3k52 s ILE 157 N 1.94 5.25 0.53 2.92 2.07 -0.05 -4.98 121.20 128.87 3k52 s ILE 157 Ca 0.32 0.14 0.06 0.00 -1.41 0.00 0.00 60.65 59.77 3k52 s ILE 157 Cb -0.16 -3.47 0.03 0.00 0.13 0.00 0.00 42.46 38.99 3k52 s ILE 157 CO 0.11 0.30 0.43 -0.94 -1.91 0.00 0.00 174.94 172.94 3k52 s SER 158 N 1.45 4.73 0.27 4.50 1.04 -1.26 -0.88 113.70 123.54 3k52 s SER 158 Ca 0.07 -1.13 -0.02 0.00 0.48 0.00 0.00 55.95 55.35 3k52 s SER 158 Cb -0.15 0.24 0.46 0.00 0.10 0.00 0.00 66.02 66.67 3k52 s SER 158 CO 0.08 -1.05 1.84 1.23 0.98 0.00 0.00 173.24 176.32 3k52 h GLY 159 N 0.75 1.50 0.58 7.32 0.00 -1.92 -0.09 103.07 111.21 3k52 h GLY 159 Ca -0.37 -0.41 0.09 0.00 0.00 0.00 0.00 47.33 46.64 3k52 h GLY 159 CO 0.56 0.20 0.54 -0.55 0.00 0.00 0.00 176.54 177.30 3k52 h ASP 160 N 0.99 0.81 -0.08 0.19 3.45 -1.99 0.28 116.42 120.08 3k52 h ASP 160 Ca 0.45 0.04 -0.20 0.00 0.43 0.00 0.00 57.03 57.75 3k52 h ASP 160 Cb 0.35 -0.13 0.00 0.00 -0.56 0.00 0.00 39.33 39.00 3k52 h ASP 160 CO -0.23 0.48 -0.68 0.44 -1.57 0.00 0.00 179.24 177.67 3k52 h ASP 161 N 0.92 0.82 -0.10 6.45 3.32 -1.70 -3.35 116.42 122.78 3k52 h ASP 161 Ca 0.42 -0.50 -0.23 0.00 0.02 0.00 0.00 57.03 56.74 3k52 h ASP 161 Cb 0.32 -0.24 0.01 0.00 0.22 0.00 0.00 39.33 39.65 3k52 h ASP 161 CO -0.23 1.27 -0.83 0.40 -1.72 0.00 0.00 179.24 178.14 3k52 h ILE 162 N 0.50 1.29 0.75 0.35 2.04 0.00 -3.11 117.51 119.33 3k52 h ILE 162 Ca -0.02 -2.04 -0.04 0.00 1.00 0.00 0.00 64.86 63.75 3k52 h ILE 162 Cb 1.28 2.14 0.01 0.00 -0.74 0.00 0.00 36.82 39.51 3k52 h ILE 162 CO 0.14 0.64 -0.36 0.58 0.00 0.00 0.00 178.15 179.15 3k52 h VAL 163 N 0.44 0.00 -0.58 1.67 2.07 -0.62 -1.50 116.25 117.73 3k52 h VAL 163 Ca -0.08 -0.21 0.11 0.00 0.82 0.00 0.00 66.70 67.35 3k52 h VAL 163 Cb 1.47 0.00 -0.09 0.00 -1.52 0.00 0.00 31.29 31.16 3k52 h VAL 163 CO 0.17 0.00 0.09 -0.65 0.02 0.00 0.00 177.57 177.20 3k52 h PRO 164 N -1.22 0.21 -0.23 1.57 0.11 -1.73 0.23 132.00 130.95 3k52 h PRO 164 Ca -0.10 -0.01 0.04 0.00 0.11 0.00 0.00 66.00 66.04 3k52 h PRO 164 Cb 0.77 -0.05 -0.04 0.00 0.11 0.00 0.00 31.00 31.80 3k52 h PRO 164 CO 0.17 0.14 -0.04 -0.92 -0.21 0.00 0.00 178.00 177.14 3k52 h TYR 165 N 0.22 -0.09 -0.35 0.65 3.20 -1.49 -2.03 116.97 117.07 3k52 h TYR 165 Ca 0.31 0.02 -0.12 0.00 3.14 0.00 0.00 58.73 62.08 3k52 h TYR 165 Cb 0.46 0.07 -0.01 0.00 1.54 0.00 0.00 36.73 38.79 3k52 h TYR 165 CO -0.27 -0.08 -0.26 -0.07 -1.64 0.00 0.00 178.16 175.84 3k52 h LEU 166 N 0.02 0.73 -0.79 2.82 3.38 -0.49 -0.29 115.31 120.69 3k52 h LEU 166 Ca 0.11 -0.27 0.11 0.00 0.09 0.00 0.00 57.88 57.92 3k52 h LEU 166 Cb 0.16 -0.20 -0.08 0.00 0.09 0.00 0.00 40.66 40.63 3k52 h LEU 166 CO -0.22 0.96 0.41 0.00 0.09 0.00 0.00 178.44 179.68 3k52 h ALA 167 N 1.10 1.14 -0.24 1.53 0.00 -0.16 0.25 119.26 122.88 3k52 h ALA 167 Ca 0.08 0.06 0.00 0.00 0.00 0.00 0.00 54.91 55.05 3k52 h ALA 167 Cb 0.76 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.50 3k52 h ALA 167 CO 0.06 -0.03 0.00 -1.71 0.00 0.00 0.00 179.25 177.57 3k52 n ASN 168 N -4.84 0.00 -0.35 0.00 5.15 -0.80 -1.05 115.26 113.37 3k52 n ASN 168 Ca 0.14 0.75 0.03 0.00 -0.60 0.00 0.00 54.58 54.90 3k52 n ASN 168 Cb 0.34 -0.46 0.10 0.00 -0.53 0.00 0.00 39.78 39.22 3k52 n ASN 168 CO 0.00 0.00 0.00 -0.08 1.40 0.00 0.00 177.26 178.58 3k52 h GLU 169 N 0.00 -0.01 -0.02 1.20 4.57 -0.86 0.12 114.58 119.58 3k52 h GLU 169 Ca 0.00 0.00 0.00 0.00 -1.18 0.00 0.00 59.36 58.18 3k52 h GLU 169 Cb 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 28.59 3k52 h GLU 169 CO 0.00 -0.01 -0.08 1.28 -1.18 0.00 0.00 179.01 179.03 3k52 n LEU 170 N -5.56 2.14 -3.29 1.64 4.77 0.85 -4.99 117.00 112.57 3k52 n LEU 170 Ca 0.13 -0.72 -0.08 0.00 -0.03 0.00 0.00 56.01 55.31 3k52 n LEU 170 Cb 0.45 -0.01 0.00 0.00 -2.33 0.00 0.00 43.42 41.53 3k52 n LEU 170 CO -0.11 0.36 0.16 0.29 -1.33 0.00 0.00 177.39 176.76 3k52 n LYS 171 N 0.57 -1.41 -1.51 3.23 4.76 0.41 -4.95 118.16 119.26 3k52 n LYS 171 Ca 0.15 1.28 -0.30 0.00 -2.87 0.00 0.00 58.31 56.56 3k52 n LYS 171 Cb 0.47 -4.66 0.08 0.00 -1.84 0.00 0.00 35.03 29.08 3k52 n LYS 171 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 3k52 s ALA 172 N -2.98 2.36 -0.15 7.82 0.00 -0.22 -4.82 121.76 123.77 3k52 s ALA 172 Ca 0.01 -0.05 0.09 0.00 0.00 0.00 0.00 51.96 52.01 3k52 s ALA 172 Cb -0.00 -3.15 -0.15 0.00 0.00 0.00 0.00 23.12 19.81 3k52 s ALA 172 CO 0.80 -1.59 -0.01 -0.25 0.00 0.00 0.00 175.76 174.71 3k52 n ASP 173 N -3.36 1.93 -3.85 0.00 8.00 -0.45 -4.90 116.55 113.93 3k52 n ASP 173 Ca 0.07 -0.03 -0.17 0.00 0.71 0.00 0.00 54.79 55.37 3k52 n ASP 173 Cb 0.55 0.51 -0.16 0.00 -0.02 0.00 0.00 41.12 42.00 3k52 n ASP 173 CO 0.00 0.00 0.00 -0.22 -0.39 0.00 0.00 177.20 176.59 3k52 s LEU 174 N -5.30 1.30 -0.19 0.64 2.96 -1.20 -3.32 118.68 113.58 3k52 s LEU 174 Ca -0.12 -0.05 -0.02 0.00 -0.22 0.00 0.00 54.13 53.72 3k52 s LEU 174 Cb 0.05 -0.26 -0.01 0.00 0.50 0.00 0.00 46.19 46.47 3k52 s LEU 174 CO 0.51 -0.07 -0.08 -0.63 -1.32 0.00 0.00 176.35 174.76 3k52 s ILE 175 N 0.86 3.18 -0.24 6.68 -1.09 0.92 -1.73 121.20 129.79 3k52 s ILE 175 Ca -0.09 -0.58 -0.04 0.00 -2.23 0.00 0.00 60.65 57.71 3k52 s ILE 175 Cb -0.13 -2.41 -0.00 0.00 -1.58 0.00 0.00 42.46 38.34 3k52 s ILE 175 CO -0.01 0.47 -0.02 -0.76 -1.23 0.00 0.00 174.94 173.39 3k52 s LEU 176 N 1.10 3.11 -0.65 2.97 1.43 0.43 -0.27 118.68 126.80 3k52 s LEU 176 Ca 0.01 -0.47 -0.09 0.00 -1.03 0.00 0.00 54.13 52.54 3k52 s LEU 176 Cb -0.15 -1.77 0.17 0.00 0.03 0.00 0.00 46.19 44.48 3k52 s LEU 176 CO -0.02 -0.06 0.53 -0.31 0.23 0.00 0.00 176.35 176.73 3k52 s TYR 177 N 1.48 3.53 -0.23 0.29 2.02 0.75 0.37 117.35 125.55 3k52 s TYR 177 Ca 0.05 -2.14 -0.29 0.00 -0.37 0.00 0.00 57.07 54.32 3k52 s TYR 177 Cb -0.15 -3.54 -0.00 0.00 -0.40 0.00 0.00 41.96 37.87 3k52 s TYR 177 CO -0.02 -0.95 1.21 0.00 -1.57 0.00 0.00 175.55 174.23 3k52 s ALA 178 N 0.52 3.57 0.23 3.71 0.00 -0.41 -2.05 121.76 127.34 3k52 s ALA 178 Ca 0.13 0.26 0.02 0.00 0.00 0.00 0.00 51.96 52.37 3k52 s ALA 178 Cb -0.19 -3.66 -0.01 0.00 0.00 0.00 0.00 23.12 19.27 3k52 s ALA 178 CO -0.04 -1.34 0.08 0.25 0.00 0.00 0.00 175.76 174.70 3k52 n THR 179 N 5.64 0.00 1.36 0.00 -2.24 0.32 -4.62 114.28 114.74 3k52 n THR 179 Ca 0.14 -1.32 0.10 0.00 -2.27 0.00 0.00 64.05 60.70 3k52 n THR 179 Cb 0.46 0.46 0.39 0.00 -2.10 0.00 0.00 70.33 69.53 3k52 n THR 179 CO 0.00 0.00 0.00 0.47 -0.57 0.00 0.00 175.07 174.97 3k52 n ASP 180 N -1.72 1.35 -4.27 3.42 8.00 -1.26 -1.33 116.55 120.74 3k52 n ASP 180 Ca -0.04 -1.68 -0.16 0.00 0.71 0.00 0.00 54.79 53.62 3k52 n ASP 180 Cb 0.34 -0.09 -0.10 0.00 -0.02 0.00 0.00 41.12 41.25 3k52 n ASP 180 CO 0.00 0.00 0.00 0.68 -0.39 0.00 0.00 177.20 177.49 3k52 s VAL 181 N -1.81 1.32 -0.12 2.53 -7.23 -1.26 -4.97 120.40 108.85 3k52 s VAL 181 Ca 0.30 -2.03 0.29 0.00 -1.81 0.00 0.00 61.98 58.72 3k52 s VAL 181 Cb 0.16 -1.83 0.30 0.00 0.56 0.00 0.00 36.38 35.57 3k52 s VAL 181 CO 0.24 -0.66 1.86 0.44 -0.31 0.00 0.00 175.10 176.67 3k52 h ASP 182 N 2.86 0.00 -0.32 4.85 3.32 -1.91 -1.24 116.42 123.98 3k52 h ASP 182 Ca -0.37 0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.68 3k52 h ASP 182 Cb 1.20 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.75 3k52 h ASP 182 CO 0.61 0.00 0.00 0.61 -1.72 0.00 0.00 179.24 178.74 3k52 n GLY 183 N -0.42 -0.73 3.56 2.75 0.00 -1.26 -4.21 105.19 104.89 3k52 n GLY 183 Ca 0.00 -1.28 -0.39 0.00 0.00 0.00 0.00 46.02 44.35 3k52 n GLY 183 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3k52 s VAL 184 N -2.92 3.38 -0.11 1.61 1.01 -1.26 -4.81 120.40 117.30 3k52 s VAL 184 Ca 0.00 0.27 -0.30 0.00 0.00 0.00 0.00 61.98 61.95 3k52 s VAL 184 Cb 0.00 -3.87 -0.02 0.00 0.00 0.00 0.00 36.38 32.49 3k52 s VAL 184 CO 0.00 -0.79 1.16 -0.76 0.00 0.00 0.00 175.10 174.71 3k52 s LEU 185 N 8.69 4.23 -0.33 3.92 1.02 -1.26 -1.98 118.68 132.97 3k52 s LEU 185 Ca 0.70 1.68 0.03 0.00 0.02 0.00 0.00 54.13 56.56 3k52 s LEU 185 Cb -0.14 -3.55 0.10 0.00 0.02 0.00 0.00 46.19 42.61 3k52 s LEU 185 CO 0.23 -0.61 0.06 -0.63 0.02 0.00 0.00 176.35 175.43 3k52 s ILE 186 N 2.58 1.88 -0.39 -0.59 1.09 0.26 -4.55 121.20 121.48 3k52 s ILE 186 Ca 0.53 -2.07 -0.01 0.00 -1.10 0.00 0.00 60.65 58.00 3k52 s ILE 186 Cb -0.22 -2.40 0.00 0.00 -1.06 0.00 0.00 42.46 38.79 3k52 s ILE 186 CO 0.18 -0.62 0.33 0.47 -0.10 0.00 0.00 174.94 175.20 3k52 n ASP 187 N 4.42 -2.39 -4.15 3.58 8.00 -1.26 -3.25 116.55 121.50 3k52 n ASP 187 Ca 0.02 -0.19 -0.33 0.00 0.71 0.00 0.00 54.79 55.00 3k52 n ASP 187 Cb 0.42 -1.94 -0.03 0.00 -0.02 0.00 0.00 41.12 39.55 3k52 n ASP 187 CO 0.00 0.00 0.00 -3.20 -0.39 0.00 0.00 177.20 173.61 3k52 n ASN 188 N -1.18 -2.37 -3.64 -2.24 5.15 -1.26 -4.96 115.26 104.76 3k52 n ASN 188 Ca -0.06 -1.02 -0.13 0.00 -0.60 0.00 0.00 54.58 52.77 3k52 n ASN 188 Cb 0.54 -2.81 -0.12 0.00 -0.53 0.00 0.00 39.78 36.86 3k52 n ASN 188 CO 0.00 0.00 0.00 -0.54 1.40 0.00 0.00 177.26 178.12 3k52 s LYS 189 N -6.85 0.19 -0.03 1.20 -0.14 -1.20 -5.07 119.74 107.84 3k52 s LYS 189 Ca 0.51 0.77 -0.29 0.00 -1.36 0.00 0.00 55.97 55.60 3k52 s LYS 189 Cb -0.28 -0.03 -0.08 0.00 -1.68 0.00 0.00 37.83 35.76 3k52 s LYS 189 CO 0.92 -0.31 2.01 -1.25 -0.76 0.00 0.00 175.35 175.96 3k52 s PRO 190 N 2.46 3.89 0.22 -1.68 0.04 -1.26 -0.58 135.00 138.09 3k52 s PRO 190 Ca 0.01 2.43 -0.30 0.00 0.04 0.00 0.00 61.00 63.19 3k52 s PRO 190 Cb -0.12 -4.20 -0.09 0.00 0.04 0.00 0.00 34.50 30.12 3k52 s PRO 190 CO -0.10 -1.24 1.39 -1.50 0.04 0.00 0.00 177.00 175.59 3k52 s ILE 191 N 5.39 2.92 0.04 0.56 2.07 -0.84 -4.88 121.20 126.47 3k52 s ILE 191 Ca 0.90 0.76 -0.29 0.00 -1.41 0.00 0.00 60.65 60.61 3k52 s ILE 191 Cb -0.40 -3.48 -0.17 0.00 0.13 0.00 0.00 42.46 38.54 3k52 s ILE 191 CO 0.39 0.11 1.37 0.50 -1.91 0.00 0.00 174.94 175.40 3k52 h LYS 192 N 5.36 -0.75 -5.64 3.50 3.64 -1.92 -3.37 116.57 117.39 3k52 h LYS 192 Ca -0.45 0.05 -0.50 0.00 -1.27 0.00 0.00 60.65 58.48 3k52 h LYS 192 Cb 1.21 0.17 -0.25 0.00 -0.41 0.00 0.00 32.23 32.95 3k52 h LYS 192 CO 0.79 -0.44 -0.81 0.50 -2.27 0.00 0.00 179.45 177.21 3k52 s ARG 193 N -5.26 1.13 -0.09 1.90 3.52 -1.26 0.48 118.95 119.38 3k52 s ARG 193 Ca -0.16 -0.82 0.00 0.00 -0.13 0.00 0.00 55.73 54.62 3k52 s ARG 193 Cb 0.02 -1.18 0.02 0.00 -1.56 0.00 0.00 34.95 32.25 3k52 s ARG 193 CO 0.54 0.30 -0.07 0.42 -0.81 0.00 0.00 175.30 175.68 3k52 s ILE 194 N -0.80 0.88 0.22 4.11 1.01 0.10 -4.90 121.20 121.82 3k52 s ILE 194 Ca 0.04 -0.24 -0.01 0.00 0.00 0.00 0.00 60.65 60.44 3k52 s ILE 194 Cb -0.08 -0.90 0.00 0.00 0.01 0.00 0.00 42.46 41.49 3k52 s ILE 194 CO 0.01 0.33 0.29 -0.90 0.00 0.00 0.00 174.94 174.68 3k52 n ASP 195 N 4.62 -0.81 -0.13 3.58 5.68 -1.26 -1.43 116.55 126.80 3k52 n ASP 195 Ca -0.15 -2.19 0.00 0.00 -0.50 0.00 0.00 54.79 51.95 3k52 n ASP 195 Cb 0.50 1.54 0.00 0.00 -1.14 0.00 0.00 41.12 42.02 3k52 n ASP 195 CO 0.00 0.00 0.00 2.29 -1.33 0.00 0.00 177.20 178.16 3k52 n LYS 196 N -0.36 0.23 -0.03 0.11 2.85 -1.26 -0.85 118.16 118.84 3k52 n LYS 196 Ca 0.01 0.00 0.02 0.00 -1.05 0.00 0.00 58.31 57.29 3k52 n LYS 196 Cb 0.36 -1.03 0.04 0.00 -0.65 0.00 0.00 35.03 33.75 3k52 n LYS 196 CO 0.00 0.00 0.00 0.09 -0.05 0.00 0.00 177.40 177.44 3k52 n ASN 197 N -0.27 1.87 0.00 -5.58 3.02 -1.26 -4.77 115.26 108.27 3k52 n ASN 197 Ca 0.00 -1.63 0.00 0.00 -0.03 0.00 0.00 54.58 52.92 3k52 n ASN 197 Cb 0.01 -0.04 0.00 0.00 -0.61 0.00 0.00 39.78 39.14 3k52 n ASN 197 CO 0.00 0.00 0.00 -0.46 -2.62 0.00 0.00 177.26 174.18 3k52 n ASN 198 N -0.00 0.00 0.12 6.41 6.94 -0.03 -4.95 115.26 123.75 3k52 n ASN 198 Ca 0.03 -0.50 -0.13 0.00 -0.02 0.00 0.00 54.58 53.95 3k52 n ASN 198 Cb 0.21 0.00 -0.08 0.00 -2.36 0.00 0.00 39.78 37.56 3k52 n ASN 198 CO 0.00 0.00 0.00 -0.29 -1.03 0.00 0.00 177.26 175.94 3k52 h ILE 199 N 0.50 0.00 -0.77 1.53 2.10 -1.38 0.26 117.51 119.75 3k52 h ILE 199 Ca 0.00 0.00 0.17 0.00 1.08 0.00 0.00 64.86 66.11 3k52 h ILE 199 Cb 0.25 0.00 -0.11 0.00 -1.09 0.00 0.00 36.82 35.87 3k52 h ILE 199 CO 0.00 0.00 0.25 1.88 -1.08 0.00 0.00 178.15 179.20 3k52 h TYR 200 N -0.65 0.40 -0.08 2.19 0.05 -1.95 0.97 116.97 117.90 3k52 h TYR 200 Ca -0.02 0.04 0.02 0.00 0.05 0.00 0.00 58.73 58.83 3k52 h TYR 200 Cb 0.63 -0.06 -0.00 0.00 1.01 0.00 0.00 36.73 38.31 3k52 h TYR 200 CO -0.37 -0.04 0.07 -0.22 -1.05 0.00 0.00 178.16 176.54 3k52 h LYS 201 N 0.34 0.00 0.05 4.88 3.64 -1.53 -1.07 116.57 122.87 3k52 h LYS 201 Ca 0.44 0.00 -0.18 0.00 -1.27 0.00 0.00 60.65 59.64 3k52 h LYS 201 Cb 0.76 0.00 -0.01 0.00 -0.41 0.00 0.00 32.23 32.57 3k52 h LYS 201 CO -0.49 0.00 -0.95 0.82 -2.27 0.00 0.00 179.45 176.56 3k52 h ILE 202 N 0.00 1.23 -0.29 2.00 1.08 0.41 -3.19 117.51 118.75 3k52 h ILE 202 Ca 0.04 -2.33 0.07 0.00 -0.39 0.00 0.00 64.86 62.25 3k52 h ILE 202 Cb 0.18 2.78 -0.08 0.00 -3.07 0.00 0.00 36.82 36.63 3k52 h ILE 202 CO -0.00 0.56 -0.27 -0.07 -0.69 0.00 0.00 178.15 177.68 3k52 h LEU 203 N -0.71 -0.87 -0.58 1.44 3.38 0.46 0.17 115.31 118.60 3k52 h LEU 203 Ca -0.23 0.16 0.12 0.00 0.09 0.00 0.00 57.88 58.02 3k52 h LEU 203 Cb 1.41 0.41 -0.09 0.00 0.09 0.00 0.00 40.66 42.47 3k52 h LEU 203 CO -0.04 -0.29 0.04 0.78 0.09 0.00 0.00 178.44 179.02 3k52 h ASN 204 N -0.26 -0.17 -0.56 -0.43 2.35 -1.34 -0.34 115.58 114.83 3k52 h ASN 204 Ca 0.15 0.13 -0.00 0.00 -0.55 0.00 0.00 56.30 56.02 3k52 h ASN 204 Cb 0.49 0.22 -0.03 0.00 0.05 0.00 0.00 38.32 39.05 3k52 h ASN 204 CO -0.43 -0.07 0.33 0.22 -1.65 0.00 0.00 177.43 175.83 3k52 h TYR 205 N 0.16 0.74 -0.26 1.19 3.20 -1.36 -1.27 116.97 119.38 3k52 h TYR 205 Ca 0.30 -0.01 0.08 0.00 3.14 0.00 0.00 58.73 62.24 3k52 h TYR 205 Cb 0.47 -0.24 -0.01 0.00 1.54 0.00 0.00 36.73 38.49 3k52 h TYR 205 CO -0.31 0.52 0.20 -0.07 -1.64 0.00 0.00 178.16 176.86 3k52 h LEU 206 N 0.75 0.00 0.00 2.82 3.38 0.59 0.28 115.31 123.13 3k52 h LEU 206 Ca 0.20 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.17 3k52 h LEU 206 Cb -0.00 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.75 3k52 h LEU 206 CO -0.04 0.00 -0.37 -1.20 0.09 0.00 0.00 178.44 176.92 3k52 n SER 207 N -4.33 0.73 -3.08 -0.43 7.64 -0.34 -4.77 113.62 109.04 3k52 n SER 207 Ca 0.03 0.30 0.00 0.00 1.01 0.00 0.00 58.87 60.21 3k52 n SER 207 Cb 0.36 -0.22 0.00 0.00 -1.01 0.00 0.00 64.21 63.33 3k52 n SER 207 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 3k52 n GLY 208 N 1.33 -2.62 0.00 0.23 0.00 0.09 -4.98 105.19 99.23 3k52 n GLY 208 Ca 0.04 -1.37 0.09 0.00 0.00 0.00 0.00 46.02 44.78 3k52 n GLY 208 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 3k52 n SER 209 N -1.65 0.85 -1.49 1.61 3.41 -1.26 -4.20 113.62 110.89 3k52 n SER 209 Ca 0.00 -0.83 0.10 0.00 -0.26 0.00 0.00 58.87 57.88 3k52 n SER 209 Cb 0.00 1.11 0.34 0.00 -0.26 0.00 0.00 64.21 65.40 3k52 n SER 209 CO 0.00 0.00 0.00 0.59 -0.16 0.00 0.00 175.04 175.47 3k52 n ASN 210 N -1.53 4.48 -4.78 4.04 5.03 -1.26 -4.96 115.26 116.29 3k52 n ASN 210 Ca 0.03 -2.32 -0.37 0.00 0.87 0.00 0.00 54.58 52.79 3k52 n ASN 210 Cb 0.32 -0.54 -0.06 0.00 -1.02 0.00 0.00 39.78 38.48 3k52 n ASN 210 CO 0.00 0.00 0.00 -0.55 -1.83 0.00 0.00 177.26 174.88 3k52 s SER 211 N -0.96 7.21 0.13 6.41 0.15 -1.26 -4.78 113.70 120.60 3k52 s SER 211 Ca 0.50 1.94 0.10 0.00 0.70 0.00 0.00 55.95 59.20 3k52 s SER 211 Cb 0.30 -2.59 -0.14 0.00 -1.71 0.00 0.00 66.02 61.88 3k52 s SER 211 CO 0.27 -0.17 1.19 0.40 1.20 0.00 0.00 173.24 176.13 3k52 h ILE 212 N 2.60 1.29 -3.46 6.45 5.03 -1.91 -3.41 117.51 124.09 3k52 h ILE 212 Ca -0.47 -2.93 -0.71 0.00 -0.12 0.00 0.00 64.86 60.63 3k52 h ILE 212 Cb 1.20 2.62 -0.29 0.00 -3.03 0.00 0.00 36.82 37.33 3k52 h ILE 212 CO 0.65 0.74 -0.48 -0.62 -0.68 0.00 0.00 178.15 177.75 3k52 s ASP 213 N -6.49 5.57 0.00 1.72 2.15 -1.26 -4.90 116.67 113.46 3k52 s ASP 213 Ca 0.01 -1.55 0.18 0.00 0.43 0.00 0.00 52.55 51.61 3k52 s ASP 213 Cb 0.09 -1.96 0.47 0.00 -0.30 0.00 0.00 42.92 41.22 3k52 s ASP 213 CO 0.80 -0.53 1.39 1.33 -0.17 0.00 0.00 175.17 177.99 3k52 n VAL 214 N 4.88 0.90 1.38 1.11 0.24 -1.26 -4.19 118.33 121.39 3k52 n VAL 214 Ca -0.09 -0.95 0.14 0.00 -2.04 0.00 0.00 64.34 61.39 3k52 n VAL 214 Cb 0.43 0.58 0.54 0.00 -1.47 0.00 0.00 33.84 33.92 3k52 n VAL 214 CO 0.00 0.00 0.00 0.35 -2.14 0.00 0.00 176.83 175.04 3k52 n THR 215 N 1.16 0.00 -1.16 3.34 -2.24 -1.26 -4.90 114.28 109.22 3k52 n THR 215 Ca 0.18 -0.09 -0.05 0.00 -2.27 0.00 0.00 64.05 61.81 3k52 n THR 215 Cb 0.53 0.09 -0.02 0.00 -2.10 0.00 0.00 70.33 68.83 3k52 n THR 215 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3k52 n GLY 216 N 1.28 0.75 0.37 3.38 0.00 -1.26 -4.94 105.19 104.76 3k52 n GLY 216 Ca 0.14 -0.35 -0.14 0.00 0.00 0.00 0.00 46.02 45.68 3k52 n GLY 216 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 3k52 h GLY 217 N 0.00 -0.96 0.58 -0.02 0.00 -1.91 -2.79 103.07 97.98 3k52 h GLY 217 Ca -0.11 0.35 0.09 0.00 0.00 0.00 0.00 47.33 47.66 3k52 h GLY 217 CO 0.16 -0.35 0.55 -0.33 0.00 0.00 0.00 176.54 176.57 3k52 h MET 218 N -1.02 0.91 -0.67 4.80 2.86 -1.92 -1.95 114.93 117.93 3k52 h MET 218 Ca -0.09 -0.05 0.09 0.00 -2.06 0.00 0.00 59.70 57.58 3k52 h MET 218 Cb 0.70 -0.20 -0.07 0.00 0.06 0.00 0.00 31.60 32.09 3k52 h MET 218 CO 0.15 0.60 0.32 0.87 1.06 0.00 0.00 176.91 179.91 3k52 h LYS 219 N 0.93 0.54 -0.61 1.72 1.57 -1.94 0.31 116.57 119.10 3k52 h LYS 219 Ca 0.42 -0.03 -0.09 0.00 -1.87 0.00 0.00 60.65 59.08 3k52 h LYS 219 Cb 0.33 -0.12 -0.02 0.00 0.08 0.00 0.00 32.23 32.49 3k52 h LYS 219 CO -0.23 0.36 0.01 -0.92 -0.57 0.00 0.00 179.45 178.11 3k52 h TYR 220 N 0.56 1.15 -0.32 -1.35 3.20 -1.08 -1.78 116.97 117.35 3k52 h TYR 220 Ca 0.33 -0.19 -0.04 0.00 3.14 0.00 0.00 58.73 61.97 3k52 h TYR 220 Cb 0.34 -0.30 -0.01 0.00 1.54 0.00 0.00 36.73 38.30 3k52 h TYR 220 CO -0.12 1.01 0.06 0.87 -1.64 0.00 0.00 178.16 178.34 3k52 h LYS 221 N 0.96 0.52 -0.48 1.82 1.57 -0.99 -2.65 116.57 117.33 3k52 h LYS 221 Ca 0.17 -0.14 0.02 0.00 -1.87 0.00 0.00 60.65 58.84 3k52 h LYS 221 Cb 0.54 -0.06 -0.03 0.00 0.08 0.00 0.00 32.23 32.76 3k52 h LYS 221 CO 0.03 0.61 0.28 0.82 -0.57 0.00 0.00 179.45 180.62 3k52 h ILE 222 N 0.35 1.05 -0.42 1.86 2.04 -0.81 -2.56 117.51 119.02 3k52 h ILE 222 Ca 0.10 -0.19 -0.09 0.00 1.00 0.00 0.00 64.86 65.67 3k52 h ILE 222 Cb 0.34 0.43 -0.02 0.00 -0.74 0.00 0.00 36.82 36.83 3k52 h ILE 222 CO 0.01 0.10 -0.11 -0.33 0.00 0.00 0.00 178.15 177.82 3k52 h GLU 223 N 0.57 0.74 -0.24 2.37 5.08 -1.23 -1.35 114.58 120.51 3k52 h GLU 223 Ca 0.19 -0.24 -0.20 0.00 -1.00 0.00 0.00 59.36 58.11 3k52 h GLU 223 Cb 0.02 -0.07 0.00 0.00 0.50 0.00 0.00 28.75 29.21 3k52 h GLU 223 CO -0.09 0.83 -0.62 0.52 -1.00 0.00 0.00 179.01 178.65 3k52 h MET 224 N 0.68 0.84 -0.12 2.33 2.86 -1.38 0.42 114.93 120.56 3k52 h MET 224 Ca 0.12 -0.58 0.03 0.00 -2.06 0.00 0.00 59.70 57.21 3k52 h MET 224 Cb 0.57 0.09 -0.02 0.00 0.06 0.00 0.00 31.60 32.29 3k52 h MET 224 CO 0.04 1.20 -0.04 0.82 1.06 0.00 0.00 176.91 179.99 3k52 h ILE 225 N 0.62 0.86 -0.47 -1.22 2.04 -1.31 0.29 117.51 118.32 3k52 h ILE 225 Ca -0.01 0.00 -0.01 0.00 1.00 0.00 0.00 64.86 65.84 3k52 h ILE 225 Cb 1.23 0.86 -0.02 0.00 -0.74 0.00 0.00 36.82 38.15 3k52 h ILE 225 CO 0.13 0.00 0.23 -0.09 0.00 0.00 0.00 178.15 178.43 3k52 h ARG 226 N -0.02 0.64 0.00 2.37 1.12 -1.08 -1.90 114.38 115.51 3k52 h ARG 226 Ca 0.06 -0.07 -0.08 0.00 -1.11 0.00 0.00 59.98 58.78 3k52 h ARG 226 Cb 0.11 -0.13 -0.01 0.00 -0.01 0.00 0.00 29.97 29.93 3k52 h ARG 226 CO -0.13 0.49 -0.39 -0.22 -3.11 0.00 0.00 179.97 176.62 3k52 h LYS 227 N 0.65 0.00 -0.96 0.20 3.64 0.70 -2.94 116.57 117.86 3k52 h LYS 227 Ca 0.17 0.00 -0.50 0.00 -1.27 0.00 0.00 60.65 59.04 3k52 h LYS 227 Cb 0.05 0.00 -0.30 0.00 -0.41 0.00 0.00 32.23 31.58 3k52 h LYS 227 CO -0.02 0.39 0.62 0.09 -2.27 0.00 0.00 179.45 178.25 3k52 n ASN 228 N -3.41 3.80 -2.91 4.20 4.13 0.94 -4.95 115.26 117.06 3k52 n ASN 228 Ca 0.00 -3.63 0.00 0.00 1.68 0.00 0.00 54.58 52.64 3k52 n ASN 228 Cb 0.56 -0.83 0.00 0.00 -1.54 0.00 0.00 39.78 37.97 3k52 n ASN 228 CO 0.00 0.00 0.00 0.29 0.28 0.00 0.00 177.26 177.83 3k52 n LYS 229 N -1.14 -0.75 0.00 3.52 5.02 -1.04 -4.77 118.16 119.00 3k52 n LYS 229 Ca 0.58 -0.37 0.00 0.00 -2.02 0.00 0.00 58.31 56.50 3k52 n LYS 229 Cb 1.60 0.66 0.00 0.00 -0.02 0.00 0.00 35.03 37.28 3k52 n LYS 229 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 3k52 s ARG 231 N 1.64 0.52 0.15 0.00 3.52 -1.21 -0.54 118.95 123.04 3k52 s ARG 231 Ca 0.00 -0.66 -0.15 0.00 -0.13 0.00 0.00 55.73 54.79 3k52 s ARG 231 Cb 0.00 -0.34 0.03 0.00 -1.56 0.00 0.00 34.95 33.08 3k52 s ARG 231 CO 0.00 0.07 0.42 0.20 -0.81 0.00 0.00 175.30 175.18 3k52 s GLY 232 N -1.30 -0.11 0.00 8.12 0.00 -0.54 -0.05 107.32 113.43 3k52 s GLY 232 Ca -0.07 -0.23 0.05 0.00 0.00 0.00 0.00 44.72 44.47 3k52 s GLY 232 CO 0.00 -0.37 -0.15 -1.36 0.00 0.00 0.00 173.10 171.22 3k52 s PHE 233 N -3.85 1.37 -0.22 1.90 0.08 0.63 -1.43 117.98 116.46 3k52 s PHE 233 Ca 0.07 -0.28 0.01 0.00 0.12 0.00 0.00 56.93 56.85 3k52 s PHE 233 Cb 0.01 -0.86 0.04 0.00 -0.57 0.00 0.00 43.02 41.63 3k52 s PHE 233 CO -0.07 -0.00 -0.15 0.08 -0.10 0.00 0.00 175.22 174.98 3k52 s VAL 234 N -0.48 2.22 0.22 -0.44 1.01 -0.75 -0.18 120.40 122.00 3k52 s VAL 234 Ca 0.05 -1.21 -0.05 0.00 0.00 0.00 0.00 61.98 60.77 3k52 s VAL 234 Cb -0.06 -2.10 -0.03 0.00 0.00 0.00 0.00 36.38 34.19 3k52 s VAL 234 CO -0.00 0.28 0.25 0.72 0.00 0.00 0.00 175.10 176.35 3k52 s PHE 235 N 1.23 0.90 -0.30 5.22 -0.12 -0.87 -2.05 117.98 121.98 3k52 s PHE 235 Ca -0.01 -1.16 -0.27 0.00 -0.05 0.00 0.00 56.93 55.45 3k52 s PHE 235 Cb -0.16 -0.30 0.01 0.00 -0.63 0.00 0.00 43.02 41.93 3k52 s PHE 235 CO -0.09 -0.77 0.95 1.21 -0.05 0.00 0.00 175.22 176.47 3k52 s ASN 236 N -3.12 6.84 0.00 1.98 3.84 -0.47 -0.52 114.94 123.50 3k52 s ASN 236 Ca 0.33 0.94 0.27 0.00 0.21 0.00 0.00 52.86 54.61 3k52 s ASN 236 Cb 0.04 -2.48 1.17 0.00 -0.55 0.00 0.00 41.25 39.42 3k52 s ASN 236 CO 0.11 -0.73 1.80 0.61 -2.79 0.00 0.00 177.10 176.10 3k52 n GLY 237 N 3.91 -0.22 0.04 1.21 0.00 -0.44 -3.45 105.19 106.24 3k52 n GLY 237 Ca 0.08 -0.36 0.12 0.00 0.00 0.00 0.00 46.02 45.86 3k52 n GLY 237 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 3k52 n ASN 238 N -0.11 0.61 -4.76 1.61 5.03 -1.26 -4.90 115.26 111.48 3k52 n ASN 238 Ca 0.19 -0.07 -0.38 0.00 0.87 0.00 0.00 54.58 55.19 3k52 n ASN 238 Cb 0.28 0.32 -0.06 0.00 -1.02 0.00 0.00 39.78 39.29 3k52 n ASN 238 CO 0.00 0.00 0.00 -0.75 -1.83 0.00 0.00 177.26 174.68 3k52 s LYS 239 N -3.12 4.23 -0.11 3.52 2.20 -1.22 -5.01 119.74 120.23 3k52 s LYS 239 Ca 0.07 0.52 -0.34 0.00 -0.36 0.00 0.00 55.97 55.86 3k52 s LYS 239 Cb 0.15 -3.35 -0.11 0.00 -1.51 0.00 0.00 37.83 33.00 3k52 s LYS 239 CO 0.73 0.36 1.92 0.00 -0.36 0.00 0.00 175.35 178.00 3k52 n ALA 240 N 2.90 0.94 0.00 3.13 0.00 -1.26 -2.31 120.51 123.90 3k52 n ALA 240 Ca -0.09 0.24 0.00 0.00 0.00 0.00 0.00 53.44 53.59 3k52 n ALA 240 Cb 0.52 -2.53 0.00 0.00 0.00 0.00 0.00 19.45 17.44 3k52 n ALA 240 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 3k52 n ASN 241 N 7.11 0.00 -0.23 0.00 5.03 -1.26 -4.90 115.26 121.01 3k52 n ASN 241 Ca 0.24 0.00 0.01 0.00 0.87 0.00 0.00 54.58 55.70 3k52 n ASN 241 Cb 0.30 0.00 0.24 0.00 -1.02 0.00 0.00 39.78 39.30 3k52 n ASN 241 CO 0.00 0.00 0.00 0.78 -1.83 0.00 0.00 177.26 176.21 3k52 h ASN 242 N 0.00 0.88 0.14 6.41 -0.26 -1.76 0.25 115.58 121.24 3k52 h ASN 242 Ca 0.00 -0.02 -0.20 0.00 -0.56 0.00 0.00 56.30 55.52 3k52 h ASN 242 Cb 0.00 -0.22 0.00 0.00 -1.06 0.00 0.00 38.32 37.04 3k52 h ASN 242 CO 0.00 0.63 -0.77 0.40 -1.06 0.00 0.00 177.43 176.63 3k52 h ILE 243 N 1.04 1.35 0.12 2.81 2.04 -1.85 0.28 117.51 123.30 3k52 h ILE 243 Ca 0.29 -2.12 -0.01 0.00 1.00 0.00 0.00 64.86 64.02 3k52 h ILE 243 Cb -0.09 2.10 0.00 0.00 -0.74 0.00 0.00 36.82 38.09 3k52 h ILE 243 CO -0.07 0.65 -0.06 0.22 0.00 0.00 0.00 178.15 178.89 3k52 h TYR 244 N 0.35 -0.15 0.19 1.37 3.20 -1.73 -2.08 116.97 118.13 3k52 h TYR 244 Ca -0.04 -0.00 0.00 0.00 3.14 0.00 0.00 58.73 61.82 3k52 h TYR 244 Cb 1.37 0.05 -0.01 0.00 1.54 0.00 0.00 36.73 39.67 3k52 h TYR 244 CO 0.06 0.15 -0.17 0.87 -1.64 0.00 0.00 178.16 177.43 3k52 h LYS 245 N -0.47 -0.37 -0.73 1.82 1.57 -0.50 -2.47 116.57 115.43 3k52 h LYS 245 Ca -0.02 0.03 0.16 0.00 -1.87 0.00 0.00 60.65 58.94 3k52 h LYS 245 Cb 0.38 0.08 -0.13 0.00 0.08 0.00 0.00 32.23 32.64 3k52 h LYS 245 CO 0.03 -0.25 -0.08 0.00 -0.57 0.00 0.00 179.45 178.58 3k52 h ALA 246 N 0.38 0.63 -0.31 3.86 0.00 -0.46 0.34 119.26 123.70 3k52 h ALA 246 Ca -0.00 0.26 -0.01 0.00 0.00 0.00 0.00 54.91 55.16 3k52 h ALA 246 Cb 0.35 0.47 -0.02 0.00 0.00 0.00 0.00 17.79 18.60 3k52 h ALA 246 CO -0.03 -0.42 0.16 -0.07 0.00 0.00 0.00 179.25 178.89 3k52 h LEU 247 N 0.05 0.37 -0.43 0.00 3.38 -1.00 -0.69 115.31 116.99 3k52 h LEU 247 Ca 0.38 -0.02 -0.16 0.00 0.09 0.00 0.00 57.88 58.16 3k52 h LEU 247 Cb 0.62 -0.09 -0.02 0.00 0.09 0.00 0.00 40.66 41.26 3k52 h LEU 247 CO -0.69 0.31 -0.77 -0.07 0.09 0.00 0.00 178.44 177.30 3k52 h LEU 248 N 0.43 0.00 0.00 1.67 3.38 -0.04 -3.48 115.31 117.28 3k52 h LEU 248 Ca 0.11 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.08 3k52 h LEU 248 Cb 0.03 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.78 3k52 h LEU 248 CO -0.02 0.77 0.00 0.61 0.09 0.00 0.00 178.44 179.90 3k52 n GLY 249 N 0.73 1.95 0.45 0.83 0.00 0.36 -5.03 105.19 104.47 3k52 n GLY 249 Ca -0.01 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.01 3k52 n GLY 249 CO 0.00 0.00 0.00 -1.84 0.00 0.00 0.00 173.32 171.48 3k52 n GLU 250 N -0.54 0.00 -2.34 1.61 0.28 -0.90 -4.99 120.64 113.76 3k52 n GLU 250 Ca 0.00 -0.91 -0.41 0.00 -0.16 0.00 0.00 57.16 55.68 3k52 n GLU 250 Cb 0.00 -0.48 -0.03 0.00 1.43 0.00 0.00 31.44 32.36 3k52 n GLU 250 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 177.13 177.51 3k52 s VAL 251 N 0.00 3.56 -0.60 3.84 0.11 -1.25 -4.79 120.40 121.28 3k52 s VAL 251 Ca 0.00 1.25 -0.26 0.00 -2.93 0.00 0.00 61.98 60.05 3k52 s VAL 251 Cb 0.00 -3.80 0.04 0.00 -1.53 0.00 0.00 36.38 31.09 3k52 s VAL 251 CO 0.00 0.17 1.07 -1.61 -3.33 0.00 0.00 175.10 171.40 3k52 s GLU 252 N 0.14 3.34 0.00 1.54 2.02 -1.26 -4.77 118.70 119.72 3k52 s GLU 252 Ca 0.56 -0.16 0.00 0.00 0.02 0.00 0.00 54.97 55.38 3k52 s GLU 252 Cb -0.33 -4.08 0.00 0.00 0.10 0.00 0.00 34.13 29.82 3k52 s GLU 252 CO 0.35 -1.68 0.00 0.41 0.02 0.00 0.00 175.26 174.36 3k52 n GLY 253 N 5.16 0.85 2.89 -1.39 0.00 -1.26 -4.88 105.19 106.55 3k52 n GLY 253 Ca 0.03 0.25 -0.20 0.00 0.00 0.00 0.00 46.02 46.10 3k52 n GLY 253 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3k52 s THR 254 N 1.44 0.50 -0.04 2.61 2.01 -0.87 -4.38 115.64 116.91 3k52 s THR 254 Ca 0.00 -0.10 -0.04 0.00 0.31 0.00 0.00 61.69 61.86 3k52 s THR 254 Cb 0.00 -0.54 -0.04 0.00 0.01 0.00 0.00 72.50 71.93 3k52 s THR 254 CO 0.00 0.22 0.17 -0.70 -0.69 0.00 0.00 174.62 173.62 3k52 s GLU 255 N 0.92 3.44 -0.23 4.92 2.12 0.18 -1.81 118.70 128.24 3k52 s GLU 255 Ca -0.11 -0.27 -0.02 0.00 0.36 0.00 0.00 54.97 54.93 3k52 s GLU 255 Cb -0.14 -3.12 0.07 0.00 0.26 0.00 0.00 34.13 31.20 3k52 s GLU 255 CO 0.00 0.70 0.03 0.42 -0.54 0.00 0.00 175.26 175.88 3k52 s ILE 256 N -1.25 0.78 -0.20 -3.70 1.01 -0.52 0.02 121.20 117.35 3k52 s ILE 256 Ca 0.24 -0.87 0.01 0.00 0.00 0.00 0.00 60.65 60.03 3k52 s ILE 256 Cb -0.12 -1.32 0.03 0.00 0.01 0.00 0.00 42.46 41.06 3k52 s ILE 256 CO 0.15 -0.30 -0.16 -0.62 0.00 0.00 0.00 174.94 174.01 3k52 s ASP 257 N 1.72 3.39 -0.18 3.58 -1.08 -0.51 -1.47 116.67 122.12 3k52 s ASP 257 Ca 0.01 -0.82 0.22 0.00 -0.52 0.00 0.00 52.55 51.43 3k52 s ASP 257 Cb -0.17 -1.42 0.46 0.00 -1.46 0.00 0.00 42.92 40.32 3k52 s ASP 257 CO -0.12 -0.07 1.16 0.49 0.52 0.00 0.00 175.17 177.15 3k52 n PHE 258 N 4.61 0.57 -3.60 -5.34 3.72 0.30 -4.41 117.46 113.31 3k52 n PHE 258 Ca -0.18 -1.55 -0.37 0.00 -0.05 0.00 0.00 57.45 55.30 3k52 n PHE 258 Cb 0.48 -0.03 -0.07 0.00 -0.94 0.00 0.00 39.48 38.92 3k52 n PHE 258 CO 0.00 0.00 0.00 -1.54 -0.05 0.00 0.00 176.76 175.17 3k52 s SER 259 N -2.94 6.51 0.00 4.37 1.04 -1.15 -2.82 113.70 118.71 3k52 s SER 259 Ca 0.27 0.61 0.00 0.00 0.48 0.00 0.00 55.95 57.30 3k52 s SER 259 Cb 0.34 -2.17 0.00 0.00 0.10 0.00 0.00 66.02 64.28 3k52 s SER 259 CO -0.08 0.22 0.00 -0.62 0.98 0.00 0.00 173.24 173.73