#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1k72 s THR 3 N 0.00 2.98 -0.01 2.61 2.01 -1.26 -5.09 115.64 116.89 1k72 s THR 3 Ca 0.00 -0.84 0.05 0.00 0.31 0.00 0.00 61.69 61.22 1k72 s THR 3 Cb 0.00 -2.19 -0.01 0.00 0.01 0.00 0.00 72.50 70.31 1k72 s THR 3 CO 0.00 0.53 -0.18 -0.31 -0.69 0.00 0.00 174.62 173.98 1k72 s TYR 4 N -0.78 1.57 -0.72 4.92 1.51 -1.26 -5.08 117.35 117.52 1k72 s TYR 4 Ca 0.12 -0.30 -0.25 0.00 -1.01 0.00 0.00 57.07 55.63 1k72 s TYR 4 Cb -0.11 -1.00 0.04 0.00 -0.11 0.00 0.00 41.96 40.78 1k72 s TYR 4 CO 0.02 -0.02 1.18 1.21 -1.11 0.00 0.00 175.55 176.83 1k72 s ASN 5 N -0.49 6.17 0.31 2.29 3.84 -1.26 -4.80 114.94 121.00 1k72 s ASN 5 Ca 0.07 -0.65 0.09 0.00 0.21 0.00 0.00 52.86 52.58 1k72 s ASN 5 Cb -0.07 -2.51 0.51 0.00 -0.55 0.00 0.00 41.25 38.62 1k72 s ASN 5 CO -0.00 -1.70 1.71 1.88 -2.79 0.00 0.00 177.10 176.19 1k72 h TYR 6 N 9.87 0.13 -0.33 0.43 0.05 -1.74 -2.75 116.97 122.63 1k72 h TYR 6 Ca -0.27 -0.04 -0.12 0.00 0.05 0.00 0.00 58.73 58.35 1k72 h TYR 6 Cb 1.06 -0.03 -0.01 0.00 1.01 0.00 0.00 36.73 38.76 1k72 h TYR 6 CO 1.08 0.55 -0.26 0.78 -1.05 0.00 0.00 178.16 179.26 1k72 h GLY 7 N 1.35 0.82 1.08 3.88 0.00 -1.54 -0.58 103.07 108.08 1k72 h GLY 7 Ca 0.00 -0.80 -0.07 0.00 0.00 0.00 0.00 47.33 46.46 1k72 h GLY 7 CO 0.06 0.73 0.15 -2.09 0.00 0.00 0.00 176.54 175.39 1k72 h GLU 8 N 0.53 1.13 -0.55 4.80 4.81 -1.70 -0.74 114.58 122.86 1k72 h GLU 8 Ca 0.06 -0.28 -0.02 0.00 -0.13 0.00 0.00 59.36 58.99 1k72 h GLU 8 Cb 0.82 -0.14 -0.03 0.00 0.63 0.00 0.00 28.75 30.03 1k72 h GLU 8 CO 0.07 1.01 0.28 0.00 -0.73 0.00 0.00 179.01 179.63 1k72 h ALA 9 N 1.09 0.70 0.05 2.92 0.00 -1.33 -1.48 119.26 121.21 1k72 h ALA 9 Ca 0.22 -0.11 -0.00 0.00 0.00 0.00 0.00 54.91 55.01 1k72 h ALA 9 Cb 0.40 -0.22 0.00 0.00 0.00 0.00 0.00 17.79 17.97 1k72 h ALA 9 CO 0.01 0.25 -0.03 1.25 0.00 0.00 0.00 179.25 180.73 1k72 h LEU 10 N 0.73 -0.06 -1.26 0.00 5.85 -0.91 0.09 115.31 119.75 1k72 h LEU 10 Ca 0.19 -0.08 0.03 0.00 0.84 0.00 0.00 57.88 58.86 1k72 h LEU 10 Cb 0.09 0.02 -0.04 0.00 0.37 0.00 0.00 40.66 41.09 1k72 h LEU 10 CO -0.03 0.04 0.51 -0.61 -0.34 0.00 0.00 178.44 178.01 1k72 h GLN 11 N -0.16 0.95 -0.06 1.25 4.15 -1.00 -1.76 115.11 118.48 1k72 h GLN 11 Ca -0.01 -0.06 -0.24 0.00 0.77 0.00 0.00 58.65 59.12 1k72 h GLN 11 Cb 0.14 -0.21 0.01 0.00 0.21 0.00 0.00 27.48 27.63 1k72 h GLN 11 CO 0.01 0.63 -0.92 0.87 -1.93 0.00 0.00 178.83 177.49 1k72 h LYS 12 N 0.98 0.66 -0.69 1.69 1.57 -1.06 -1.97 116.57 117.75 1k72 h LYS 12 Ca 0.30 -0.63 -0.02 0.00 -1.87 0.00 0.00 60.65 58.42 1k72 h LYS 12 Cb 0.00 0.16 -0.03 0.00 0.08 0.00 0.00 32.23 32.44 1k72 h LYS 12 CO -0.08 1.24 0.33 1.03 -0.57 0.00 0.00 179.45 181.39 1k72 h SER 13 N 0.40 0.88 -0.36 0.86 0.87 -0.68 -0.55 113.55 114.98 1k72 h SER 13 Ca -0.09 -0.09 -0.14 0.00 -1.23 0.00 0.00 61.79 60.23 1k72 h SER 13 Cb 1.55 -0.23 -0.01 0.00 -0.44 0.00 0.00 62.40 63.28 1k72 h SER 13 CO 0.18 0.75 -0.33 0.40 -0.53 0.00 0.00 176.83 177.29 1k72 h ILE 14 N 0.97 1.28 -0.11 2.23 2.04 -1.29 -3.06 117.51 119.58 1k72 h ILE 14 Ca 0.24 -1.50 -0.03 0.00 1.00 0.00 0.00 64.86 64.57 1k72 h ILE 14 Cb 0.10 1.43 -0.01 0.00 -0.74 0.00 0.00 36.82 37.60 1k72 h ILE 14 CO -0.03 0.50 -0.06 -0.03 0.00 0.00 0.00 178.15 178.53 1k72 h MET 15 N 0.66 0.15 -0.80 2.37 4.05 -0.58 -2.78 114.93 118.00 1k72 h MET 15 Ca 0.06 -0.02 0.18 0.00 -0.28 0.00 0.00 59.70 59.64 1k72 h MET 15 Cb 0.92 -0.03 -0.11 0.00 -0.80 0.00 0.00 31.60 31.58 1k72 h MET 15 CO 0.08 0.22 0.26 0.35 0.23 0.00 0.00 176.91 178.06 1k72 h PHE 16 N 0.15 0.42 -0.05 1.39 3.57 -1.01 0.35 116.94 121.76 1k72 h PHE 16 Ca 0.03 0.04 -0.03 0.00 3.53 0.00 0.00 57.97 61.55 1k72 h PHE 16 Cb 0.21 -0.06 -0.01 0.00 2.79 0.00 0.00 35.95 38.88 1k72 h PHE 16 CO 0.00 -0.06 -0.11 1.88 -2.23 0.00 0.00 178.31 177.79 1k72 h TYR 17 N 0.33 0.07 -0.22 0.41 0.05 -1.63 -1.38 116.97 114.61 1k72 h TYR 17 Ca 0.47 -0.00 -0.04 0.00 0.05 0.00 0.00 58.73 59.20 1k72 h TYR 17 Cb 0.83 -0.02 -0.01 0.00 1.01 0.00 0.00 36.73 38.53 1k72 h TYR 17 CO -0.22 0.18 -0.06 0.93 -1.05 0.00 0.00 178.16 177.95 1k72 h GLU 18 N 0.07 0.33 0.00 4.88 5.08 -1.04 -1.07 114.58 122.84 1k72 h GLU 18 Ca 0.02 -0.07 0.00 0.00 -1.00 0.00 0.00 59.36 58.31 1k72 h GLU 18 Cb 0.24 -0.05 0.00 0.00 0.50 0.00 0.00 28.75 29.44 1k72 h GLU 18 CO 0.02 0.41 0.00 1.19 -1.00 0.00 0.00 179.01 179.63 1k72 n PHE 19 N -4.30 0.90 1.20 4.33 0.99 -0.54 -2.82 117.46 117.22 1k72 n PHE 19 Ca 0.00 0.28 0.13 0.00 -0.00 0.00 0.00 57.45 57.86 1k72 n PHE 19 Cb 0.24 -0.96 0.30 0.00 -1.00 0.00 0.00 39.48 38.06 1k72 n PHE 19 CO 0.00 0.00 0.00 1.04 -0.00 0.00 0.00 176.76 177.80 1k72 n GLN 20 N -2.26 0.92 -1.83 -1.08 1.13 -0.43 -4.98 117.38 108.85 1k72 n GLN 20 Ca 0.05 -0.60 -0.41 0.00 -1.94 0.00 0.00 57.00 54.10 1k72 n GLN 20 Cb 0.38 -1.49 -0.01 0.00 0.11 0.00 0.00 30.24 29.23 1k72 n GLN 20 CO 0.00 0.00 0.00 1.03 -1.44 0.00 0.00 177.06 176.65 1k72 s ARG 21 N -2.49 4.15 0.23 -1.09 0.52 -1.03 0.03 118.95 119.28 1k72 s ARG 21 Ca 0.23 2.52 0.08 0.00 -0.52 0.00 0.00 55.73 58.04 1k72 s ARG 21 Cb 0.19 -3.03 -0.04 0.00 0.52 0.00 0.00 34.95 32.59 1k72 s ARG 21 CO 0.53 -0.56 0.04 0.45 0.02 0.00 0.00 175.30 175.78 1k72 s SER 22 N 0.28 4.85 0.00 0.23 0.15 -0.33 -4.81 113.70 114.07 1k72 s SER 22 Ca 0.60 -0.47 0.00 0.00 0.70 0.00 0.00 55.95 56.78 1k72 s SER 22 Cb -0.46 -1.03 0.00 0.00 -1.71 0.00 0.00 66.02 62.81 1k72 s SER 22 CO 0.51 0.02 0.00 0.61 1.20 0.00 0.00 173.24 175.58 1k72 n GLY 23 N -0.68 -1.83 3.55 9.45 0.00 0.63 -3.71 105.19 112.60 1k72 n GLY 23 Ca -0.08 -2.00 -0.41 0.00 0.00 0.00 0.00 46.02 43.53 1k72 n GLY 23 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1k72 s ASP 24 N -4.00 6.23 0.33 1.61 2.15 -1.26 -2.81 116.67 118.92 1k72 s ASP 24 Ca 0.00 -0.70 -0.28 0.00 0.43 0.00 0.00 52.55 52.00 1k72 s ASP 24 Cb 0.00 -2.56 -0.10 0.00 -0.30 0.00 0.00 42.92 39.96 1k72 s ASP 24 CO 0.00 -1.76 1.22 -0.76 -0.17 0.00 0.00 175.17 173.70 1k72 s LEU 25 N 5.60 4.41 0.65 -1.34 1.43 -1.26 -4.99 118.68 123.18 1k72 s LEU 25 Ca 0.38 2.51 -0.17 0.00 -1.03 0.00 0.00 54.13 55.82 1k72 s LEU 25 Cb -0.06 -3.72 -0.01 0.00 0.03 0.00 0.00 46.19 42.44 1k72 s LEU 25 CO 0.09 -0.46 1.23 -2.16 0.23 0.00 0.00 176.35 175.27 1k72 s PRO 26 N -1.80 2.60 0.44 1.29 0.04 -1.26 -4.91 135.00 131.40 1k72 s PRO 26 Ca 0.49 1.86 0.30 0.00 0.04 0.00 0.00 61.00 63.69 1k72 s PRO 26 Cb -0.36 -1.88 1.29 0.00 0.04 0.00 0.00 34.50 33.59 1k72 s PRO 26 CO 0.47 -1.51 1.89 0.00 0.04 0.00 0.00 177.00 177.90 1k72 h ALA 27 N 0.41 1.00 -0.00 8.56 0.00 -2.05 -2.71 119.26 124.47 1k72 h ALA 27 Ca -0.50 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.41 1k72 h ALA 27 Cb 1.31 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.10 1k72 h ALA 27 CO 0.53 0.00 -0.00 -0.40 0.00 0.00 0.00 179.25 179.38 1k72 n ASP 28 N -2.73 0.04 -4.57 0.00 5.68 -1.26 -4.93 116.55 108.78 1k72 n ASP 28 Ca 0.01 -0.70 -0.46 0.00 -0.50 0.00 0.00 54.79 53.14 1k72 n ASP 28 Cb 0.25 -0.10 -0.03 0.00 -1.14 0.00 0.00 41.12 40.10 1k72 n ASP 28 CO 0.00 0.00 0.00 2.29 -1.33 0.00 0.00 177.20 178.16 1k72 n LYS 29 N -1.08 1.17 -1.29 0.11 2.85 -1.03 -4.91 118.16 113.98 1k72 n LYS 29 Ca 0.20 0.41 -0.24 0.00 -1.05 0.00 0.00 58.31 57.64 1k72 n LYS 29 Cb 0.16 -1.79 0.13 0.00 -0.65 0.00 0.00 35.03 32.88 1k72 n LYS 29 CO 0.00 0.00 0.00 2.89 -0.05 0.00 0.00 177.40 180.24 1k72 n ARG 30 N 1.12 2.51 -4.09 -1.58 1.85 -1.26 -4.94 116.66 110.26 1k72 n ARG 30 Ca 0.12 -3.32 -0.09 0.00 -1.00 0.00 0.00 57.85 53.57 1k72 n ARG 30 Cb 0.29 -2.16 -0.09 0.00 -1.05 0.00 0.00 32.46 29.45 1k72 n ARG 30 CO 0.00 0.00 0.00 0.16 -0.01 0.00 0.00 177.63 177.78 1k72 s ASP 31 N -2.09 0.32 -0.15 2.89 1.47 -1.26 0.44 116.67 118.30 1k72 s ASP 31 Ca 0.56 -1.07 0.16 0.00 1.18 0.00 0.00 52.55 53.39 1k72 s ASP 31 Cb 0.47 0.28 0.32 0.00 -0.34 0.00 0.00 42.92 43.65 1k72 s ASP 31 CO 0.03 -0.70 1.16 -0.46 0.68 0.00 0.00 175.17 175.88 1k72 n ASN 32 N -0.04 2.04 0.00 2.11 6.94 -1.20 -4.73 115.26 120.37 1k72 n ASN 32 Ca -0.09 -3.26 0.00 0.00 -0.02 0.00 0.00 54.58 51.21 1k72 n ASN 32 Cb 0.63 -0.45 0.00 0.00 -2.36 0.00 0.00 39.78 37.60 1k72 n ASN 32 CO 0.00 0.00 0.00 -2.67 -1.03 0.00 0.00 177.26 173.56 1k72 n TRP 33 N -1.25 0.00 -4.40 -2.53 4.27 -1.26 -3.50 117.44 108.77 1k72 n TRP 33 Ca 0.16 0.00 -0.32 0.00 -3.89 0.00 0.00 57.50 53.45 1k72 n TRP 33 Cb 0.67 0.00 -0.10 0.00 -1.36 0.00 0.00 31.31 30.52 1k72 n TRP 33 CO 0.00 0.00 0.00 1.03 -2.29 0.00 0.00 177.69 176.43 1k72 s ARG 34 N -0.03 2.51 0.17 -2.67 1.81 -1.26 -4.44 118.95 115.04 1k72 s ARG 34 Ca 0.00 -0.76 -0.01 0.00 -1.72 0.00 0.00 55.73 53.24 1k72 s ARG 34 Cb 0.00 -2.49 0.00 0.00 -0.45 0.00 0.00 34.95 32.01 1k72 s ARG 34 CO 0.00 0.59 0.24 -3.47 -0.68 0.00 0.00 175.30 171.98 1k72 n ASP 35 N 1.38 -0.66 -4.57 0.23 -0.08 -1.26 -4.91 116.55 106.68 1k72 n ASP 35 Ca -0.15 -1.95 -0.50 0.00 -1.51 0.00 0.00 54.79 50.68 1k72 n ASP 35 Cb 0.52 1.25 -0.05 0.00 2.34 0.00 0.00 41.12 45.19 1k72 n ASP 35 CO 0.00 0.00 0.00 0.47 0.12 0.00 0.00 177.20 177.79 1k72 n ASP 36 N -1.90 1.28 -3.50 1.67 8.00 -1.26 -4.80 116.55 116.04 1k72 n ASP 36 Ca 0.00 1.14 -0.11 0.00 0.71 0.00 0.00 54.79 56.53 1k72 n ASP 36 Cb 0.29 -1.19 -0.03 0.00 -0.02 0.00 0.00 41.12 40.18 1k72 n ASP 36 CO 0.00 0.00 0.00 -0.94 -0.39 0.00 0.00 177.20 175.87 1k72 s SER 37 N 0.09 -0.45 -1.43 -2.24 1.04 -1.12 -4.54 113.70 105.05 1k72 s SER 37 Ca 0.76 -0.12 -0.08 0.00 0.48 0.00 0.00 55.95 56.99 1k72 s SER 37 Cb -0.90 0.56 0.04 0.00 0.10 0.00 0.00 66.02 65.82 1k72 s SER 37 CO 0.51 -0.94 0.63 0.61 0.98 0.00 0.00 173.24 175.03 1k72 n GLY 38 N -0.33 -0.51 0.08 7.32 0.00 -1.26 -0.27 105.19 110.22 1k72 n GLY 38 Ca -0.16 0.13 0.10 0.00 0.00 0.00 0.00 46.02 46.09 1k72 n GLY 38 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 173.32 174.35 1k72 n MET 39 N -4.02 0.12 -0.29 1.61 0.00 -1.26 -2.01 117.12 111.27 1k72 n MET 39 Ca -0.05 0.32 0.08 0.00 0.00 0.00 0.00 57.70 58.05 1k72 n MET 39 Cb 0.57 -1.72 0.23 0.00 0.00 0.00 0.00 33.22 32.31 1k72 n MET 39 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 175.97 177.60 1k72 n LYS 40 N -1.94 2.89 -1.68 0.03 5.02 -1.26 -4.96 118.16 116.27 1k72 n LYS 40 Ca 0.03 -2.35 -0.46 0.00 -2.02 0.00 0.00 58.31 53.51 1k72 n LYS 40 Cb 0.23 -1.44 -0.04 0.00 -0.02 0.00 0.00 35.03 33.76 1k72 n LYS 40 CO 0.00 0.00 0.00 -0.25 -0.52 0.00 0.00 177.40 176.63 1k72 n ASP 41 N 0.89 3.64 0.00 4.39 9.92 -0.85 -0.46 116.55 134.08 1k72 n ASP 41 Ca 0.17 0.97 0.00 0.00 -0.53 0.00 0.00 54.79 55.40 1k72 n ASP 41 Cb 0.55 -1.43 0.00 0.00 -0.64 0.00 0.00 41.12 39.60 1k72 n ASP 41 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 1k72 n GLY 42 N 4.32 0.56 0.27 0.44 0.00 -1.26 -1.51 105.19 108.02 1k72 n GLY 42 Ca 0.21 0.00 0.10 0.00 0.00 0.00 0.00 46.02 46.33 1k72 n GLY 42 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 1k72 h SER 43 N 0.00 0.00 0.70 1.61 4.64 -0.88 -0.61 113.55 119.01 1k72 h SER 43 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1k72 h SER 43 Cb 0.00 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.09 1k72 h SER 43 CO 0.00 0.01 0.00 -2.24 -0.87 0.00 0.00 176.83 173.73 1k72 h ASP 44 N 0.00 0.00 -0.02 4.97 2.03 -1.90 -2.85 116.42 118.64 1k72 h ASP 44 Ca -0.00 0.00 0.00 0.00 -0.73 0.00 0.00 57.03 56.30 1k72 h ASP 44 Cb 0.02 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 38.52 1k72 h ASP 44 CO 0.00 0.00 0.00 1.33 -1.03 0.00 0.00 179.24 179.54 1k72 n VAL 45 N -3.02 0.31 -2.51 4.15 0.24 -0.36 -5.01 118.33 112.13 1k72 n VAL 45 Ca -0.00 -0.66 -0.10 0.00 -2.04 0.00 0.00 64.34 61.54 1k72 n VAL 45 Cb 0.23 0.87 0.01 0.00 -1.47 0.00 0.00 33.84 33.48 1k72 n VAL 45 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 1k72 n GLY 46 N -0.02 0.08 3.06 7.63 0.00 -0.48 -5.03 105.19 110.43 1k72 n GLY 46 Ca 0.01 -0.38 -0.21 0.00 0.00 0.00 0.00 46.02 45.44 1k72 n GLY 46 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1k72 s VAL 47 N -2.75 0.93 -0.60 1.61 1.01 -0.80 -5.02 120.40 114.78 1k72 s VAL 47 Ca 0.11 -0.49 -0.28 0.00 0.00 0.00 0.00 61.98 61.33 1k72 s VAL 47 Cb -0.05 -0.78 0.01 0.00 0.00 0.00 0.00 36.38 35.56 1k72 s VAL 47 CO 0.13 0.27 1.42 -0.62 0.00 0.00 0.00 175.10 176.30 1k72 s ASP 48 N -0.17 6.07 -0.27 3.32 2.15 -1.26 -3.89 116.67 122.61 1k72 s ASP 48 Ca 0.03 0.13 0.10 0.00 0.43 0.00 0.00 52.55 53.24 1k72 s ASP 48 Cb -0.06 -2.55 0.50 0.00 -0.30 0.00 0.00 42.92 40.51 1k72 s ASP 48 CO -0.00 -1.79 1.43 0.18 -0.17 0.00 0.00 175.17 174.82 1k72 n LEU 49 N 9.78 3.95 -4.82 -1.34 4.77 -0.57 -4.74 117.00 124.03 1k72 n LEU 49 Ca 0.11 -3.67 -0.33 0.00 -0.03 0.00 0.00 56.01 52.10 1k72 n LEU 49 Cb 0.49 -0.61 -0.02 0.00 -2.33 0.00 0.00 43.42 40.95 1k72 n LEU 49 CO 0.71 1.18 0.70 0.42 -1.33 0.00 0.00 177.39 179.06 1k72 s THR 50 N -3.18 4.19 0.00 -5.08 -4.23 -1.22 -4.69 115.64 101.42 1k72 s THR 50 Ca 0.43 1.09 0.00 0.00 -1.18 0.00 0.00 61.69 62.03 1k72 s THR 50 Cb 0.39 -3.56 0.00 0.00 1.34 0.00 0.00 72.50 70.67 1k72 s THR 50 CO 0.01 -0.56 0.00 0.61 -0.54 0.00 0.00 174.62 174.13 1k72 n GLY 51 N -1.19 -0.99 6.60 3.99 0.00 -1.24 -4.76 105.19 107.59 1k72 n GLY 51 Ca 0.08 -2.09 0.00 0.00 0.00 0.00 0.00 46.02 44.01 1k72 n GLY 51 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1k72 n GLY 52 N 0.00 -1.74 3.37 -0.02 0.00 -1.25 -4.42 105.19 101.13 1k72 n GLY 52 Ca 0.00 -1.29 -0.31 0.00 0.00 0.00 0.00 46.02 44.42 1k72 n GLY 52 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 1k72 s TRP 53 N -0.09 2.42 0.46 1.61 0.51 -1.26 -1.18 118.94 121.41 1k72 s TRP 53 Ca 0.00 -0.36 -0.23 0.00 -2.12 0.00 0.00 56.10 53.39 1k72 s TRP 53 Cb 0.00 -1.48 -0.07 0.00 -0.81 0.00 0.00 33.47 31.11 1k72 s TRP 53 CO 0.00 0.09 1.21 0.71 -0.51 0.00 0.00 176.95 178.45 1k72 s TYR 54 N -0.74 2.81 0.02 -1.98 2.02 0.10 -4.64 117.35 114.94 1k72 s TYR 54 Ca 0.12 1.50 -0.28 0.00 -0.37 0.00 0.00 57.07 58.04 1k72 s TYR 54 Cb -0.10 -3.47 -0.16 0.00 -0.40 0.00 0.00 41.96 37.82 1k72 s TYR 54 CO 0.01 -1.75 1.24 0.22 -1.57 0.00 0.00 175.55 173.70 1k72 h ASP 55 N 2.09 -0.69 0.00 2.29 3.58 -1.44 -3.44 116.42 118.82 1k72 h ASP 55 Ca -0.50 -0.03 0.00 0.00 0.42 0.00 0.00 57.03 56.93 1k72 h ASP 55 Cb 1.25 0.18 0.00 0.00 1.72 0.00 0.00 39.33 42.48 1k72 h ASP 55 CO 0.60 -0.34 0.00 0.00 -2.88 0.00 0.00 179.24 176.62 1k72 n ALA 56 N -2.61 0.00 -0.30 -0.78 0.00 -1.26 -0.87 120.51 114.69 1k72 n ALA 56 Ca -0.12 0.00 0.07 0.00 0.00 0.00 0.00 53.44 53.39 1k72 n ALA 56 Cb 0.35 0.00 0.30 0.00 0.00 0.00 0.00 19.45 20.10 1k72 n ALA 56 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1k72 n GLY 57 N 1.14 2.38 0.21 0.00 0.00 -1.23 -4.81 105.19 102.88 1k72 n GLY 57 Ca 0.00 -0.71 -0.02 0.00 0.00 0.00 0.00 46.02 45.30 1k72 n GLY 57 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 1k72 n ASP 58 N 0.76 1.90 -0.11 1.61 5.75 -1.26 -1.90 116.55 123.30 1k72 n ASP 58 Ca 0.21 -1.12 0.08 0.00 -0.01 0.00 0.00 54.79 53.95 1k72 n ASP 58 Cb 0.84 0.02 0.11 0.00 -1.03 0.00 0.00 41.12 41.05 1k72 n ASP 58 CO 0.00 0.00 0.00 1.41 -0.11 0.00 0.00 177.20 178.50 1k72 n HIS 59 N -0.17 0.00 -2.88 2.11 8.25 -1.26 -4.44 115.22 116.83 1k72 n HIS 59 Ca -0.01 -0.82 -0.38 0.00 -0.26 0.00 0.00 57.72 56.25 1k72 n HIS 59 Cb 0.04 -0.13 -0.06 0.00 1.12 0.00 0.00 29.99 30.96 1k72 n HIS 59 CO 0.00 0.00 0.00 0.08 0.64 0.00 0.00 176.34 177.06 1k72 s VAL 60 N -2.32 4.30 -0.47 1.59 1.01 -1.26 -4.86 120.40 118.39 1k72 s VAL 60 Ca 0.25 1.71 -0.12 0.00 0.00 0.00 0.00 61.98 63.82 1k72 s VAL 60 Cb 0.22 -4.04 0.09 0.00 0.00 0.00 0.00 36.38 32.65 1k72 s VAL 60 CO 0.02 0.27 0.36 -0.54 0.00 0.00 0.00 175.10 175.21 1k72 s LYS 61 N -1.78 2.76 -0.47 2.72 1.02 -0.12 -1.38 119.74 122.50 1k72 s LYS 61 Ca 0.45 -1.53 -0.14 0.00 0.02 0.00 0.00 55.97 54.77 1k72 s LYS 61 Cb -0.20 -4.01 0.09 0.00 -0.52 0.00 0.00 37.83 33.19 1k72 s LYS 61 CO 0.25 -1.09 0.38 -0.06 -0.92 0.00 0.00 175.35 173.90 1k72 s PHE 62 N 1.51 3.28 0.45 3.18 0.08 -1.26 -2.08 117.98 123.15 1k72 s PHE 62 Ca 0.04 -1.23 0.28 0.00 0.12 0.00 0.00 56.93 56.14 1k72 s PHE 62 Cb -0.25 -3.28 1.53 0.00 -0.57 0.00 0.00 43.02 40.45 1k72 s PHE 62 CO 0.03 -0.87 2.11 -0.91 -0.10 0.00 0.00 175.22 175.48 1k72 h ASN 63 N 8.67 0.00 0.66 1.36 -0.26 -1.83 -1.97 115.58 122.21 1k72 h ASN 63 Ca -0.27 0.00 -0.03 0.00 -0.56 0.00 0.00 56.30 55.44 1k72 h ASN 63 Cb 1.10 0.00 0.01 0.00 -1.06 0.00 0.00 38.32 38.36 1k72 h ASN 63 CO 0.88 0.09 -0.32 0.25 -1.06 0.00 0.00 177.43 177.28 1k72 h LEU 64 N 0.00 -0.75 -1.14 1.61 5.85 -1.89 0.09 115.31 119.08 1k72 h LEU 64 Ca -0.00 0.01 -0.08 0.00 0.84 0.00 0.00 57.88 58.64 1k72 h LEU 64 Cb 0.26 0.19 -0.01 0.00 0.37 0.00 0.00 40.66 41.47 1k72 h LEU 64 CO 0.01 -0.37 -0.39 1.55 -0.34 0.00 0.00 178.44 178.91 1k72 h PRO 65 N -1.20 0.00 -0.64 5.25 0.13 -1.88 -1.35 132.00 132.32 1k72 h PRO 65 Ca -0.09 0.00 -0.03 0.00 -0.87 0.00 0.00 66.00 65.01 1k72 h PRO 65 Cb 0.69 0.00 -0.03 0.00 0.13 0.00 0.00 31.00 31.80 1k72 h PRO 65 CO 0.15 0.39 0.28 1.98 -0.23 0.00 0.00 178.00 180.57 1k72 h MET 66 N 0.00 0.94 0.02 0.86 4.05 -1.31 -1.02 114.93 118.47 1k72 h MET 66 Ca -0.00 -0.15 -0.21 0.00 -0.28 0.00 0.00 59.70 59.05 1k72 h MET 66 Cb 0.78 -0.16 -0.01 0.00 -0.80 0.00 0.00 31.60 31.40 1k72 h MET 66 CO 0.05 0.77 -0.95 0.66 0.23 0.00 0.00 176.91 177.67 1k72 h SER 67 N 0.89 0.25 -0.49 1.39 4.64 -0.78 -2.50 113.55 116.95 1k72 h SER 67 Ca 0.22 -0.22 0.01 0.00 -0.47 0.00 0.00 61.79 61.32 1k72 h SER 67 Cb 0.16 -0.08 -0.03 0.00 -0.31 0.00 0.00 62.40 62.14 1k72 h SER 67 CO -0.02 1.06 0.31 0.22 -0.87 0.00 0.00 176.83 177.53 1k72 h TYR 68 N 0.09 0.59 0.30 4.77 3.20 -1.13 -1.38 116.97 123.41 1k72 h TYR 68 Ca -0.05 0.02 -0.00 0.00 3.14 0.00 0.00 58.73 61.83 1k72 h TYR 68 Cb 1.61 -0.20 -0.02 0.00 1.54 0.00 0.00 36.73 39.67 1k72 h TYR 68 CO 0.03 0.36 -0.25 1.15 -1.64 0.00 0.00 178.16 177.81 1k72 h THR 69 N 0.63 0.46 -0.07 1.81 2.02 -0.99 -0.82 112.91 115.96 1k72 h THR 69 Ca 0.18 0.00 -0.07 0.00 0.77 0.00 0.00 66.41 67.30 1k72 h THR 69 Cb -0.05 0.46 -0.01 0.00 -1.74 0.00 0.00 68.15 66.82 1k72 h THR 69 CO -0.05 0.00 -0.26 0.77 0.37 0.00 0.00 175.52 176.34 1k72 h SER 70 N -0.57 0.12 -0.61 4.18 4.64 -1.42 -0.94 113.55 118.95 1k72 h SER 70 Ca -0.02 -0.03 -0.09 0.00 -0.47 0.00 0.00 61.79 61.18 1k72 h SER 70 Cb 0.51 -0.03 -0.02 0.00 -0.31 0.00 0.00 62.40 62.54 1k72 h SER 70 CO -0.03 0.39 0.02 0.00 -0.87 0.00 0.00 176.83 176.35 1k72 h ALA 71 N 1.62 0.87 -0.33 5.18 0.00 -1.01 -1.08 119.26 124.51 1k72 h ALA 71 Ca 0.02 -0.30 -0.14 0.00 0.00 0.00 0.00 54.91 54.48 1k72 h ALA 71 Cb 0.53 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 18.08 1k72 h ALA 71 CO 0.04 0.67 -0.36 0.52 0.00 0.00 0.00 179.25 180.12 1k72 h MET 72 N 0.99 0.76 -0.47 0.00 2.86 -0.65 -0.52 114.93 117.89 1k72 h MET 72 Ca 0.18 -0.37 -0.06 0.00 -2.06 0.00 0.00 59.70 57.38 1k72 h MET 72 Cb 0.53 0.00 -0.02 0.00 0.06 0.00 0.00 31.60 32.17 1k72 h MET 72 CO 0.03 0.99 0.04 -0.07 1.06 0.00 0.00 176.91 178.96 1k72 h LEU 73 N 0.63 0.77 -1.00 1.22 3.38 -0.98 -1.63 115.31 117.70 1k72 h LEU 73 Ca 0.06 -0.28 -0.05 0.00 0.09 0.00 0.00 57.88 57.70 1k72 h LEU 73 Cb 0.90 -0.21 -0.03 0.00 0.09 0.00 0.00 40.66 41.42 1k72 h LEU 73 CO 0.08 0.86 0.14 0.00 0.09 0.00 0.00 178.44 179.62 1k72 h ALA 74 N 0.94 1.19 -0.54 1.53 0.00 -1.10 -1.42 119.26 119.85 1k72 h ALA 74 Ca 0.14 -0.21 -0.02 0.00 0.00 0.00 0.00 54.91 54.82 1k72 h ALA 74 Cb 0.44 -0.23 -0.02 0.00 0.00 0.00 0.00 17.79 17.98 1k72 h ALA 74 CO 0.02 0.56 0.25 2.35 0.00 0.00 0.00 179.25 182.42 1k72 h TRP 75 N 0.83 0.79 -0.53 0.00 7.01 -0.81 0.80 115.95 124.05 1k72 h TRP 75 Ca 0.18 -0.04 0.01 0.00 2.11 0.00 0.00 58.89 61.15 1k72 h TRP 75 Cb 0.29 -0.24 -0.03 0.00 -2.10 0.00 0.00 29.16 27.08 1k72 h TRP 75 CO 0.02 0.62 0.34 1.03 -2.79 0.00 0.00 178.44 177.66 1k72 h SER 76 N 0.72 0.58 -0.18 2.65 0.87 -0.84 -0.24 113.55 117.12 1k72 h SER 76 Ca 0.18 -0.01 -0.07 0.00 -1.23 0.00 0.00 61.79 60.66 1k72 h SER 76 Cb 0.14 -0.14 -0.02 0.00 -0.44 0.00 0.00 62.40 61.95 1k72 h SER 76 CO -0.02 0.42 -0.11 0.25 -0.53 0.00 0.00 176.83 176.83 1k72 h LEU 77 N 0.69 0.53 -0.82 2.23 5.85 -0.82 0.16 115.31 123.13 1k72 h LEU 77 Ca 0.20 -0.14 -0.11 0.00 0.84 0.00 0.00 57.88 58.67 1k72 h LEU 77 Cb -0.06 -0.14 -0.01 0.00 0.37 0.00 0.00 40.66 40.82 1k72 h LEU 77 CO -0.06 0.68 -0.28 0.22 -0.34 0.00 0.00 178.44 178.67 1k72 h TYR 78 N 0.51 0.65 0.16 1.25 3.20 -0.25 -2.57 116.97 119.91 1k72 h TYR 78 Ca 0.09 -0.15 -0.32 0.00 3.14 0.00 0.00 58.73 61.49 1k72 h TYR 78 Cb 0.50 -0.15 0.00 0.00 1.54 0.00 0.00 36.73 38.62 1k72 h TYR 78 CO 0.02 0.79 -1.58 0.93 -1.64 0.00 0.00 178.16 176.68 1k72 h GLU 79 N 0.50 0.33 -1.30 1.82 4.39 -0.58 -3.41 114.58 116.33 1k72 h GLU 79 Ca 0.07 -0.57 -0.48 0.00 0.34 0.00 0.00 59.36 58.72 1k72 h GLU 79 Cb 0.73 0.21 -0.41 0.00 -0.10 0.00 0.00 28.75 29.19 1k72 h GLU 79 CO 0.06 1.22 -0.97 -0.25 -1.16 0.00 0.00 179.01 177.92 1k72 n ASP 80 N -3.53 3.03 0.05 1.42 8.00 0.54 -4.88 116.55 121.18 1k72 n ASP 80 Ca -0.19 -3.22 0.09 0.00 0.71 0.00 0.00 54.79 52.19 1k72 n ASP 80 Cb 1.06 -0.50 0.54 0.00 -0.02 0.00 0.00 41.12 42.20 1k72 n ASP 80 CO 0.00 0.00 0.00 0.50 -0.39 0.00 0.00 177.20 177.31 1k72 h LYS 81 N 2.80 0.28 -0.72 -1.24 3.64 -1.66 -0.87 116.57 118.80 1k72 h LYS 81 Ca 0.10 -0.02 0.00 0.00 -1.27 0.00 0.00 60.65 59.46 1k72 h LYS 81 Cb 1.04 -0.06 -0.04 0.00 -0.41 0.00 0.00 32.23 32.76 1k72 h LYS 81 CO 0.67 0.19 0.46 0.38 -2.27 0.00 0.00 179.45 178.88 1k72 h ASP 82 N 0.29 0.85 -0.47 4.20 -0.00 -1.89 -0.21 116.42 119.18 1k72 h ASP 82 Ca 0.16 -0.03 -0.07 0.00 -0.00 0.00 0.00 57.03 57.08 1k72 h ASP 82 Cb 0.26 -0.21 -0.02 0.00 -0.00 0.00 0.00 39.33 39.36 1k72 h ASP 82 CO -0.03 0.63 0.01 0.00 -0.00 0.00 0.00 179.24 179.85 1k72 h ALA 83 N 1.52 0.63 -0.53 4.15 0.00 -1.49 -0.91 119.26 122.62 1k72 h ALA 83 Ca 0.26 -0.27 -0.11 0.00 0.00 0.00 0.00 54.91 54.79 1k72 h ALA 83 Cb -0.08 -0.17 -0.02 0.00 0.00 0.00 0.00 17.79 17.52 1k72 h ALA 83 CO -0.05 0.42 -0.10 1.88 0.00 0.00 0.00 179.25 181.40 1k72 h TYR 84 N 0.68 1.12 -0.24 0.00 0.05 -1.22 -1.87 116.97 115.48 1k72 h TYR 84 Ca 0.13 -0.23 -0.03 0.00 0.05 0.00 0.00 58.73 58.65 1k72 h TYR 84 Cb 0.49 -0.28 -0.01 0.00 1.01 0.00 0.00 36.73 37.94 1k72 h TYR 84 CO 0.04 1.04 0.03 -0.44 -1.05 0.00 0.00 178.16 177.78 1k72 h ASP 85 N 0.87 0.39 -0.74 3.88 3.32 -0.95 -0.81 116.42 122.38 1k72 h ASP 85 Ca 0.14 -0.27 -0.03 0.00 0.02 0.00 0.00 57.03 56.89 1k72 h ASP 85 Cb 0.66 -0.10 -0.03 0.00 0.22 0.00 0.00 39.33 40.08 1k72 h ASP 85 CO 0.05 0.55 0.33 0.50 -1.72 0.00 0.00 179.24 178.95 1k72 h LYS 86 N 0.20 1.09 -0.00 3.56 3.64 -1.14 -2.24 116.57 121.67 1k72 h LYS 86 Ca 0.07 -0.17 0.00 0.00 -1.27 0.00 0.00 60.65 59.28 1k72 h LYS 86 Cb 0.33 -0.19 0.00 0.00 -0.41 0.00 0.00 32.23 31.97 1k72 h LYS 86 CO 0.01 0.86 -0.02 -1.13 -2.27 0.00 0.00 179.45 176.90 1k72 n SER 87 N -4.37 0.11 -0.84 4.20 3.41 -0.71 -4.91 113.62 110.51 1k72 n SER 87 Ca 0.06 -0.50 -0.11 0.00 -0.26 0.00 0.00 58.87 58.06 1k72 n SER 87 Cb 0.15 -0.16 -0.05 0.00 -0.26 0.00 0.00 64.21 63.90 1k72 n SER 87 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1k72 n GLY 88 N 1.20 1.21 0.73 5.00 0.00 -0.74 -4.81 105.19 107.76 1k72 n GLY 88 Ca 0.17 -0.53 0.10 0.00 0.00 0.00 0.00 46.02 45.77 1k72 n GLY 88 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 1k72 n GLN 89 N -2.68 1.78 -0.14 1.61 1.13 -0.39 -4.62 117.38 114.06 1k72 n GLN 89 Ca -0.11 -1.51 -0.03 0.00 -1.94 0.00 0.00 57.00 53.41 1k72 n GLN 89 Cb 0.36 -1.40 0.04 0.00 0.11 0.00 0.00 30.24 29.34 1k72 n GLN 89 CO 0.00 0.00 0.00 1.15 -1.44 0.00 0.00 177.06 176.77 1k72 h THR 90 N 3.56 0.58 -0.77 5.09 2.02 -1.83 -1.39 112.91 120.16 1k72 h THR 90 Ca 0.00 -0.01 0.05 0.00 0.77 0.00 0.00 66.41 67.22 1k72 h THR 90 Cb 0.82 0.53 -0.05 0.00 -1.74 0.00 0.00 68.15 67.71 1k72 h THR 90 CO 0.00 0.01 0.47 0.11 0.37 0.00 0.00 175.52 176.47 1k72 h LYS 91 N 0.04 0.84 -0.40 6.66 1.57 -1.91 -1.35 116.57 122.03 1k72 h LYS 91 Ca 0.23 -0.05 -0.10 0.00 -1.87 0.00 0.00 60.65 58.86 1k72 h LYS 91 Cb 0.34 -0.19 -0.01 0.00 0.08 0.00 0.00 32.23 32.45 1k72 h LYS 91 CO -0.44 0.56 -0.14 1.88 -0.57 0.00 0.00 179.45 180.73 1k72 h TYR 92 N 0.87 0.91 -0.18 -1.35 -1.99 -1.65 -1.35 116.97 112.22 1k72 h TYR 92 Ca 0.33 -0.21 -0.15 0.00 2.00 0.00 0.00 58.73 60.70 1k72 h TYR 92 Cb 0.13 -0.21 -0.01 0.00 2.00 0.00 0.00 36.73 38.63 1k72 h TYR 92 CO -0.05 0.95 -0.51 0.97 -0.00 0.00 0.00 178.16 179.52 1k72 h ILE 93 N 0.60 1.32 -0.40 -2.88 2.10 -1.11 -2.28 117.51 114.87 1k72 h ILE 93 Ca 0.09 -1.74 -0.09 0.00 1.08 0.00 0.00 64.86 64.20 1k72 h ILE 93 Cb 0.68 1.73 -0.02 0.00 -1.09 0.00 0.00 36.82 38.13 1k72 h ILE 93 CO 0.05 0.54 -0.13 0.24 -1.08 0.00 0.00 178.15 177.77 1k72 h MET 94 N 0.40 0.72 -0.71 2.19 2.86 -1.20 -0.73 114.93 118.46 1k72 h MET 94 Ca 0.02 -0.24 -0.07 0.00 -2.06 0.00 0.00 59.70 57.35 1k72 h MET 94 Cb 1.03 -0.06 -0.03 0.00 0.06 0.00 0.00 31.60 32.60 1k72 h MET 94 CO 0.09 0.82 0.18 -0.44 1.06 0.00 0.00 176.91 178.63 1k72 h ASP 95 N 0.65 1.07 -0.17 1.22 3.32 -1.09 0.07 116.42 121.50 1k72 h ASP 95 Ca 0.11 -0.23 -0.01 0.00 0.02 0.00 0.00 57.03 56.92 1k72 h ASP 95 Cb 0.59 -0.28 -0.01 0.00 0.22 0.00 0.00 39.33 39.85 1k72 h ASP 95 CO 0.04 1.02 0.06 1.23 -1.72 0.00 0.00 179.24 179.87 1k72 h GLY 96 N 1.07 0.28 0.92 2.75 0.00 -0.92 0.13 103.07 107.29 1k72 h GLY 96 Ca 0.22 -0.16 0.02 0.00 0.00 0.00 0.00 47.33 47.42 1k72 h GLY 96 CO 0.00 0.15 0.52 -2.22 0.00 0.00 0.00 176.54 174.99 1k72 h ILE 97 N 0.10 1.15 -0.30 2.60 2.04 -0.93 -1.82 117.51 120.36 1k72 h ILE 97 Ca 0.05 -0.35 -0.09 0.00 1.00 0.00 0.00 64.86 65.47 1k72 h ILE 97 Cb 0.21 0.04 -0.01 0.00 -0.74 0.00 0.00 36.82 36.31 1k72 h ILE 97 CO -0.00 0.19 -0.21 0.50 0.00 0.00 0.00 178.15 178.63 1k72 h LYS 98 N 1.02 0.56 -0.35 2.37 3.64 -0.75 -1.54 116.57 121.52 1k72 h LYS 98 Ca 0.31 -0.20 0.02 0.00 -1.27 0.00 0.00 60.65 59.51 1k72 h LYS 98 Cb -0.04 -0.04 -0.02 0.00 -0.41 0.00 0.00 32.23 31.72 1k72 h LYS 98 CO -0.10 0.73 0.20 2.35 -2.27 0.00 0.00 179.45 180.36 1k72 h TRP 99 N 0.50 0.36 -0.02 1.91 2.91 0.09 0.17 115.95 121.87 1k72 h TRP 99 Ca 0.08 0.01 -0.01 0.00 1.13 0.00 0.00 58.89 60.11 1k72 h TRP 99 Cb 0.63 -0.11 -0.00 0.00 -0.51 0.00 0.00 29.16 29.17 1k72 h TRP 99 CO 0.02 0.21 -0.01 0.00 -1.03 0.00 0.00 178.44 177.63 1k72 h ALA 100 N 1.16 0.02 -0.02 2.65 0.00 -1.33 -3.13 119.26 118.61 1k72 h ALA 100 Ca 0.14 -0.24 -0.06 0.00 0.00 0.00 0.00 54.91 54.76 1k72 h ALA 100 Cb 0.02 -0.01 -0.01 0.00 0.00 0.00 0.00 17.79 17.79 1k72 h ALA 100 CO -0.07 -0.23 -0.26 -0.91 0.00 0.00 0.00 179.25 177.78 1k72 h ASN 101 N -0.41 0.03 -0.48 0.00 2.35 -1.14 -1.03 115.58 114.90 1k72 h ASN 101 Ca 0.00 -0.01 -0.07 0.00 -0.55 0.00 0.00 56.30 55.68 1k72 h ASN 101 Cb 0.48 -0.01 -0.02 0.00 0.05 0.00 0.00 38.32 38.82 1k72 h ASN 101 CO 0.00 0.29 0.05 0.44 -1.65 0.00 0.00 177.43 176.56 1k72 h ASP 102 N 0.03 0.83 -0.31 5.81 3.32 -0.70 -1.06 116.42 124.34 1k72 h ASP 102 Ca 0.00 -0.19 -0.12 0.00 0.02 0.00 0.00 57.03 56.74 1k72 h ASP 102 Cb 0.47 -0.22 -0.01 0.00 0.22 0.00 0.00 39.33 39.80 1k72 h ASP 102 CO 0.03 0.87 -0.28 0.22 -1.72 0.00 0.00 179.24 178.36 1k72 h TYR 103 N 0.82 0.88 -0.49 4.55 3.20 -1.34 -2.20 116.97 122.39 1k72 h TYR 103 Ca 0.16 -0.26 -0.02 0.00 3.14 0.00 0.00 58.73 61.75 1k72 h TYR 103 Cb 0.42 -0.19 -0.02 0.00 1.54 0.00 0.00 36.73 38.48 1k72 h TYR 103 CO 0.02 1.01 0.20 0.74 -1.64 0.00 0.00 178.16 178.50 1k72 h PHE 104 N 0.50 0.70 -0.41 -3.82 0.04 -0.91 -0.44 116.94 112.60 1k72 h PHE 104 Ca 0.05 -0.03 -0.01 0.00 2.80 0.00 0.00 57.97 60.79 1k72 h PHE 104 Cb 0.85 -0.22 -0.02 0.00 2.20 0.00 0.00 35.95 38.76 1k72 h PHE 104 CO 0.07 0.54 0.23 0.82 -0.60 0.00 0.00 178.31 179.37 1k72 h ILE 105 N 0.70 1.15 -0.39 -0.55 2.04 -1.09 -2.21 117.51 117.16 1k72 h ILE 105 Ca 0.17 -0.37 0.02 0.00 1.00 0.00 0.00 64.86 65.68 1k72 h ILE 105 Cb 0.13 0.65 -0.02 0.00 -0.74 0.00 0.00 36.82 36.84 1k72 h ILE 105 CO -0.02 0.15 0.26 0.11 0.00 0.00 0.00 178.15 178.65 1k72 h LYS 106 N 0.53 0.46 0.00 2.37 1.57 -0.65 -1.95 116.57 118.90 1k72 h LYS 106 Ca 0.14 -0.03 0.00 0.00 -1.87 0.00 0.00 60.65 58.90 1k72 h LYS 106 Cb 0.04 -0.10 0.00 0.00 0.08 0.00 0.00 32.23 32.25 1k72 h LYS 106 CO -0.02 0.30 0.00 0.00 -0.57 0.00 0.00 179.45 179.16 1k72 n ASN 108 N -1.76 4.35 0.24 0.00 4.05 -0.73 -0.67 115.26 120.74 1k72 n ASN 108 Ca 0.04 -3.59 0.08 0.00 0.45 0.00 0.00 54.58 51.56 1k72 n ASN 108 Cb 0.24 -0.64 0.60 0.00 1.23 0.00 0.00 39.78 41.22 1k72 n ASN 108 CO 0.00 0.00 0.00 1.55 -3.05 0.00 0.00 177.26 175.76 1k72 h PRO 109 N 3.54 0.00 -3.37 1.20 0.13 -1.69 -3.43 132.00 128.37 1k72 h PRO 109 Ca 0.17 0.00 -0.16 0.00 -0.87 0.00 0.00 66.00 65.14 1k72 h PRO 109 Cb 0.56 0.00 -0.23 0.00 0.13 0.00 0.00 31.00 31.46 1k72 h PRO 109 CO 0.85 0.15 -0.48 -0.08 -0.23 0.00 0.00 178.00 178.21 1k72 s THR 110 N -4.53 0.04 0.23 1.56 -1.32 -1.26 -5.11 115.64 105.25 1k72 s THR 110 Ca -0.04 -0.37 -0.32 0.00 -1.21 0.00 0.00 61.69 59.76 1k72 s THR 110 Cb 0.15 -0.37 -0.13 0.00 -1.51 0.00 0.00 72.50 70.64 1k72 s THR 110 CO 0.65 -0.20 1.56 -0.81 -2.21 0.00 0.00 174.62 173.61 1k72 n PRO 111 N 2.12 2.38 -0.06 7.08 -0.04 -1.26 -2.31 135.00 142.91 1k72 n PRO 111 Ca -0.18 0.85 0.00 0.00 -0.04 0.00 0.00 63.50 64.13 1k72 n PRO 111 Cb 0.57 -2.61 0.00 0.00 -0.04 0.00 0.00 33.50 31.42 1k72 n PRO 111 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1k72 n GLY 112 N 2.76 0.48 3.18 0.55 0.00 -1.26 -5.06 105.19 105.84 1k72 n GLY 112 Ca 0.13 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.88 1k72 n GLY 112 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1k72 s VAL 113 N -2.20 1.55 -0.10 1.61 -7.23 -0.98 -4.24 120.40 108.81 1k72 s VAL 113 Ca 0.00 -0.80 -0.03 0.00 -1.81 0.00 0.00 61.98 59.33 1k72 s VAL 113 Cb 0.00 -1.31 0.05 0.00 0.56 0.00 0.00 36.38 35.68 1k72 s VAL 113 CO 0.00 0.44 0.14 -0.47 -0.31 0.00 0.00 175.10 174.90 1k72 s TYR 114 N -0.17 -0.09 -0.28 2.82 5.04 -0.78 -4.31 117.35 119.58 1k72 s TYR 114 Ca 0.00 0.35 -0.27 0.00 -2.44 0.00 0.00 57.07 54.72 1k72 s TYR 114 Cb -0.10 -0.38 0.01 0.00 0.35 0.00 0.00 41.96 41.83 1k72 s TYR 114 CO 0.01 -0.33 0.97 0.71 -1.34 0.00 0.00 175.55 175.56 1k72 s TYR 115 N 2.25 3.25 -2.18 4.97 2.02 0.15 -0.57 117.35 127.24 1k72 s TYR 115 Ca 0.04 1.19 0.18 0.00 -0.37 0.00 0.00 57.07 58.11 1k72 s TYR 115 Cb -0.13 -3.36 0.12 0.00 -0.40 0.00 0.00 41.96 38.19 1k72 s TYR 115 CO -0.06 -0.58 1.05 2.48 -1.57 0.00 0.00 175.55 176.87 1k72 n TYR 116 N 6.42 0.00 -3.57 2.71 0.18 0.05 -4.82 117.16 118.14 1k72 n TYR 116 Ca 0.09 0.00 -0.16 0.00 1.88 0.00 0.00 57.90 59.72 1k72 n TYR 116 Cb 0.47 0.00 -0.06 0.00 -0.38 0.00 0.00 39.34 39.37 1k72 n TYR 116 CO 0.00 0.00 0.00 -1.14 -2.08 0.00 0.00 176.86 173.64 1k72 s GLN 117 N -1.61 0.91 -0.07 -3.48 0.74 -1.22 -2.19 119.66 112.73 1k72 s GLN 117 Ca 0.20 0.49 -0.01 0.00 0.05 0.00 0.00 55.36 56.09 1k72 s GLN 117 Cb 0.15 0.44 0.03 0.00 1.10 0.00 0.00 33.01 34.72 1k72 s GLN 117 CO 0.26 -0.23 0.00 0.08 -0.55 0.00 0.00 175.29 174.85 1k72 s VAL 118 N -0.63 0.37 0.00 1.34 1.01 -0.88 -1.63 120.40 119.98 1k72 s VAL 118 Ca -0.06 0.12 0.00 0.00 0.00 0.00 0.00 61.98 62.04 1k72 s VAL 118 Cb -0.02 -0.52 0.00 0.00 0.00 0.00 0.00 36.38 35.84 1k72 s VAL 118 CO 0.06 0.26 0.00 0.61 0.00 0.00 0.00 175.10 176.02 1k72 n GLY 119 N 5.09 3.00 3.50 4.51 0.00 0.21 -0.94 105.19 120.57 1k72 n GLY 119 Ca -0.08 -1.63 -0.35 0.00 0.00 0.00 0.00 46.02 43.96 1k72 n GLY 119 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1k72 s ASP 120 N 0.00 5.08 0.26 1.61 -1.08 -1.26 -4.73 116.67 116.55 1k72 s ASP 120 Ca 0.00 -0.12 -0.02 0.00 -0.52 0.00 0.00 52.55 51.89 1k72 s ASP 120 Cb 0.00 -1.87 0.50 0.00 -1.46 0.00 0.00 42.92 40.09 1k72 s ASP 120 CO 0.00 0.10 1.77 1.23 0.52 0.00 0.00 175.17 178.79 1k72 h GLY 121 N 7.26 1.34 0.78 2.66 0.00 -1.97 0.27 103.07 113.40 1k72 h GLY 121 Ca -0.35 -0.26 -0.04 0.00 0.00 0.00 0.00 47.33 46.68 1k72 h GLY 121 CO 0.63 -0.00 -0.04 -1.33 0.00 0.00 0.00 176.54 175.80 1k72 h GLY 122 N 0.65 0.36 0.91 4.60 0.00 -1.96 -1.57 103.07 106.06 1k72 h GLY 122 Ca 0.44 -0.29 -0.06 0.00 0.00 0.00 0.00 47.33 47.42 1k72 h GLY 122 CO -0.34 0.27 -0.03 0.50 0.00 0.00 0.00 176.54 176.94 1k72 h LYS 123 N 0.03 0.61 -0.49 4.80 1.57 -1.86 -2.94 116.57 118.30 1k72 h LYS 123 Ca 0.04 -0.21 -0.05 0.00 -1.87 0.00 0.00 60.65 58.56 1k72 h LYS 123 Cb 0.48 -0.05 -0.02 0.00 0.08 0.00 0.00 32.23 32.72 1k72 h LYS 123 CO 0.02 0.76 0.12 0.22 -0.57 0.00 0.00 179.45 179.99 1k72 h ASP 124 N 0.41 0.75 0.77 0.86 1.82 -0.96 -3.01 116.42 117.05 1k72 h ASP 124 Ca 0.09 -0.23 0.00 0.00 -0.39 0.00 0.00 57.03 56.50 1k72 h ASP 124 Cb 0.50 -0.20 0.00 0.00 0.68 0.00 0.00 39.33 40.32 1k72 h ASP 124 CO 0.02 0.79 0.00 1.41 -1.61 0.00 0.00 179.24 179.85 1k72 n HIS 125 N -4.47 0.00 1.63 0.28 8.25 -0.59 -3.40 115.22 116.91 1k72 n HIS 125 Ca 0.01 0.00 0.07 0.00 -0.26 0.00 0.00 57.72 57.54 1k72 n HIS 125 Cb 0.22 -0.43 0.33 0.00 1.12 0.00 0.00 29.99 31.24 1k72 n HIS 125 CO 0.00 0.00 0.00 -1.13 0.64 0.00 0.00 176.34 175.85 1k72 n SER 126 N -1.43 0.73 -3.83 0.41 3.41 -1.11 -4.76 113.62 107.04 1k72 n SER 126 Ca 0.08 -1.70 -0.14 0.00 -0.26 0.00 0.00 58.87 56.85 1k72 n SER 126 Cb 0.27 -0.06 -0.15 0.00 -0.26 0.00 0.00 64.21 64.01 1k72 n SER 126 CO 0.00 0.00 0.00 0.86 -0.16 0.00 0.00 175.04 175.74 1k72 s TRP 127 N -1.87 0.07 -0.48 7.33 -0.00 -1.22 -5.11 118.94 117.65 1k72 s TRP 127 Ca 0.23 0.05 -0.03 0.00 -0.00 0.00 0.00 56.10 56.35 1k72 s TRP 127 Cb 0.11 -0.15 0.13 0.00 -0.00 0.00 0.00 33.47 33.56 1k72 s TRP 127 CO 0.18 -0.05 0.28 -0.46 -0.00 0.00 0.00 176.95 176.90 1k72 s TRP 128 N 0.53 3.52 0.21 5.86 -0.11 -1.26 -5.02 118.94 122.67 1k72 s TRP 128 Ca -0.05 -2.54 -0.22 0.00 1.22 0.00 0.00 56.10 54.52 1k72 s TRP 128 Cb -0.07 -3.21 0.06 0.00 -1.50 0.00 0.00 33.47 28.76 1k72 s TRP 128 CO -0.01 -0.92 0.94 0.20 -4.62 0.00 0.00 176.95 172.53 1k72 s GLY 129 N 1.40 -0.00 0.37 5.86 0.00 -1.26 -3.69 107.32 109.98 1k72 s GLY 129 Ca 0.11 -0.21 -0.26 0.00 0.00 0.00 0.00 44.72 44.36 1k72 s GLY 129 CO -0.04 0.75 1.15 2.56 0.00 0.00 0.00 173.10 177.53 1k72 s PRO 130 N -2.81 4.23 0.29 2.90 0.04 -1.26 -4.33 135.00 134.06 1k72 s PRO 130 Ca 0.16 1.82 0.03 0.00 0.04 0.00 0.00 61.00 63.05 1k72 s PRO 130 Cb -0.03 -2.81 0.73 0.00 0.04 0.00 0.00 34.50 32.43 1k72 s PRO 130 CO 0.05 -0.16 1.67 0.00 0.04 0.00 0.00 177.00 178.60 1k72 h ALA 131 N 2.95 1.36 -0.34 8.56 0.00 -1.93 -2.27 119.26 127.59 1k72 h ALA 131 Ca -0.48 0.20 0.10 0.00 0.00 0.00 0.00 54.91 54.72 1k72 h ALA 131 Cb 1.23 0.24 -0.01 0.00 0.00 0.00 0.00 17.79 19.25 1k72 h ALA 131 CO 0.64 -0.43 0.30 0.93 0.00 0.00 0.00 179.25 180.69 1k72 h GLU 132 N 0.28 0.00 -0.10 0.00 3.07 -1.87 -2.97 114.58 112.99 1k72 h GLU 132 Ca 0.56 0.00 -0.02 0.00 -0.50 0.00 0.00 59.36 59.40 1k72 h GLU 132 Cb 1.11 0.00 -0.01 0.00 -0.84 0.00 0.00 28.75 29.01 1k72 h GLU 132 CO -0.60 0.00 -0.06 1.33 -1.40 0.00 0.00 179.01 178.28 1k72 n VAL 133 N -4.04 2.10 -1.67 3.13 0.24 -0.85 -4.87 118.33 112.36 1k72 n VAL 133 Ca 0.05 -2.32 -0.44 0.00 -2.04 0.00 0.00 64.34 59.60 1k72 n VAL 133 Cb 0.47 -0.25 -0.02 0.00 -1.47 0.00 0.00 33.84 32.57 1k72 n VAL 133 CO 0.00 0.00 0.00 0.23 -2.14 0.00 0.00 176.83 174.92 1k72 n MET 134 N -1.12 1.97 -0.00 7.34 2.81 -1.12 -4.91 117.12 122.09 1k72 n MET 134 Ca 0.19 0.70 0.02 0.00 -1.81 0.00 0.00 57.70 56.80 1k72 n MET 134 Cb 0.75 -2.27 -0.02 0.00 -0.71 0.00 0.00 33.22 30.97 1k72 n MET 134 CO 0.00 0.00 0.00 1.04 1.51 0.00 0.00 175.97 178.52 1k72 n GLN 135 N 1.11 5.28 -2.07 0.03 1.13 -1.26 -5.04 117.38 116.56 1k72 n GLN 135 Ca 0.08 -0.00 -0.30 0.00 -1.94 0.00 0.00 57.00 54.84 1k72 n GLN 135 Cb 0.34 -0.72 0.01 0.00 0.11 0.00 0.00 30.24 29.98 1k72 n GLN 135 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 1k72 s MET 136 N -1.44 3.43 0.48 -1.09 0.23 -1.26 -5.03 119.30 114.62 1k72 s MET 136 Ca 0.01 0.54 -0.23 0.00 -1.03 0.00 0.00 55.69 54.99 1k72 s MET 136 Cb 0.03 -2.15 -0.07 0.00 -1.53 0.00 0.00 34.83 31.12 1k72 s MET 136 CO 0.16 -0.57 1.25 -1.21 -2.03 0.00 0.00 175.02 172.62 1k72 s GLU 137 N -5.10 3.58 -0.57 3.16 2.02 -1.26 -4.99 118.70 115.53 1k72 s GLU 137 Ca 0.54 1.99 0.05 0.00 0.02 0.00 0.00 54.97 57.56 1k72 s GLU 137 Cb -0.11 -2.41 0.18 0.00 0.10 0.00 0.00 34.13 31.90 1k72 s GLU 137 CO 0.51 -0.76 0.46 0.54 0.02 0.00 0.00 175.26 176.03 1k72 n ARG 138 N -0.59 1.21 -1.85 1.61 1.74 -1.26 -4.68 116.66 112.85 1k72 n ARG 138 Ca 0.08 -3.94 -0.36 0.00 -0.77 0.00 0.00 57.85 52.86 1k72 n ARG 138 Cb 0.46 -1.99 0.05 0.00 -1.02 0.00 0.00 32.46 29.97 1k72 n ARG 138 CO 0.00 0.00 0.00 -1.25 -1.52 0.00 0.00 177.63 174.86 1k72 s PRO 139 N -0.98 2.73 0.03 5.56 0.04 -1.26 -4.15 135.00 136.97 1k72 s PRO 139 Ca 0.30 1.88 -0.01 0.00 0.04 0.00 0.00 61.00 63.21 1k72 s PRO 139 Cb 0.02 -1.89 -0.04 0.00 0.04 0.00 0.00 34.50 32.63 1k72 s PRO 139 CO -0.16 -1.41 0.17 -1.12 0.04 0.00 0.00 177.00 174.51 1k72 s SER 140 N -1.62 6.18 -0.01 6.66 0.01 -1.26 -0.62 113.70 123.04 1k72 s SER 140 Ca 0.78 0.25 0.02 0.00 1.31 0.00 0.00 55.95 58.32 1k72 s SER 140 Cb -0.32 -1.88 -0.00 0.00 0.21 0.00 0.00 66.02 64.03 1k72 s SER 140 CO 0.37 0.22 -0.08 -0.36 0.41 0.00 0.00 173.24 173.80 1k72 s PHE 141 N -1.38 0.76 0.13 2.43 0.40 -0.64 -5.01 117.98 114.66 1k72 s PHE 141 Ca 0.30 -0.15 0.04 0.00 -0.60 0.00 0.00 56.93 56.51 1k72 s PHE 141 Cb -0.13 -0.51 -0.04 0.00 0.51 0.00 0.00 43.02 42.85 1k72 s PHE 141 CO 0.22 -0.03 -0.09 -1.59 0.70 0.00 0.00 175.22 174.43 1k72 s LYS 142 N -0.09 0.97 0.18 0.44 -2.85 -1.26 -0.77 119.74 116.36 1k72 s LYS 142 Ca 0.02 -1.39 0.11 0.00 -1.00 0.00 0.00 55.97 53.71 1k72 s LYS 142 Cb -0.04 -0.50 -0.04 0.00 -2.06 0.00 0.00 37.83 35.18 1k72 s LYS 142 CO -0.00 0.05 -0.23 0.14 0.10 0.00 0.00 175.35 175.41 1k72 s VAL 143 N -3.31 2.24 0.04 1.79 -7.23 0.26 -4.93 120.40 109.27 1k72 s VAL 143 Ca 0.14 -1.98 -0.01 0.00 -1.81 0.00 0.00 61.98 58.32 1k72 s VAL 143 Cb 0.03 -2.05 0.00 0.00 0.56 0.00 0.00 36.38 34.92 1k72 s VAL 143 CO -0.01 -0.13 0.08 -0.90 -0.31 0.00 0.00 175.10 173.83 1k72 n ASP 144 N 0.35 -0.22 -0.20 4.85 3.85 -0.61 -1.87 116.55 122.70 1k72 n ASP 144 Ca -0.13 -1.19 0.09 0.00 -0.71 0.00 0.00 54.79 52.85 1k72 n ASP 144 Cb 0.56 0.38 0.38 0.00 -1.35 0.00 0.00 41.12 41.08 1k72 n ASP 144 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.20 176.19 1k72 h ALA 145 N 1.83 1.79 0.00 2.12 0.00 -1.96 -2.27 119.26 120.77 1k72 h ALA 145 Ca -0.03 -0.01 -0.18 0.00 0.00 0.00 0.00 54.91 54.69 1k72 h ALA 145 Cb 0.14 -0.16 -0.02 0.00 0.00 0.00 0.00 17.79 17.75 1k72 h ALA 145 CO 0.05 0.05 -0.83 0.77 0.00 0.00 0.00 179.25 179.28 1k72 h SER 146 N 0.69 0.06 -2.60 0.00 0.02 -1.96 -3.37 113.55 106.40 1k72 h SER 146 Ca 0.36 -0.05 -0.60 0.00 -0.84 0.00 0.00 61.79 60.65 1k72 h SER 146 Cb 0.46 -0.02 -0.39 0.00 0.14 0.00 0.00 62.40 62.59 1k72 h SER 146 CO -0.13 0.86 -0.85 -1.59 -1.14 0.00 0.00 176.83 173.98 1k72 s LYS 147 N -3.16 1.37 0.87 3.45 -2.85 -1.02 -4.93 119.74 113.47 1k72 s LYS 147 Ca -0.01 -2.47 -0.10 0.00 -1.00 0.00 0.00 55.97 52.39 1k72 s LYS 147 Cb 0.11 -2.03 0.11 0.00 -2.06 0.00 0.00 37.83 33.96 1k72 s LYS 147 CO 0.80 -1.35 1.11 -1.25 0.10 0.00 0.00 175.35 174.76 1k72 s PRO 148 N -0.38 1.46 -0.44 1.78 0.04 -0.89 -1.57 135.00 135.00 1k72 s PRO 148 Ca 0.30 1.29 0.06 0.00 0.04 0.00 0.00 61.00 62.69 1k72 s PRO 148 Cb 0.01 -1.80 0.22 0.00 0.04 0.00 0.00 34.50 32.97 1k72 s PRO 148 CO -0.18 -2.24 0.59 0.41 0.04 0.00 0.00 177.00 175.61 1k72 n GLY 149 N -0.48 1.50 0.20 0.56 0.00 -1.22 0.61 105.19 106.36 1k72 n GLY 149 Ca 0.10 -0.80 -0.07 0.00 0.00 0.00 0.00 46.02 45.25 1k72 n GLY 149 CO 0.00 0.00 0.00 1.76 0.00 0.00 0.00 173.32 175.08 1k72 h SER 150 N 4.59 0.48 0.03 1.61 0.02 -1.28 -0.96 113.55 118.05 1k72 h SER 150 Ca 0.07 -0.00 -0.00 0.00 -0.84 0.00 0.00 61.79 61.02 1k72 h SER 150 Cb 0.96 -0.11 0.00 0.00 0.14 0.00 0.00 62.40 63.39 1k72 h SER 150 CO 0.34 0.35 -0.01 0.00 -1.14 0.00 0.00 176.83 176.36 1k72 h ALA 151 N 1.19 -0.04 -0.14 3.77 0.00 -1.85 -0.15 119.26 122.05 1k72 h ALA 151 Ca 0.18 -0.03 -0.14 0.00 0.00 0.00 0.00 54.91 54.93 1k72 h ALA 151 Cb -0.02 0.01 -0.01 0.00 0.00 0.00 0.00 17.79 17.77 1k72 h ALA 151 CO -0.06 -0.50 -0.50 -0.24 0.00 0.00 0.00 179.25 177.95 1k72 h VAL 152 N -0.07 1.33 -0.36 0.00 3.04 -1.92 -0.19 116.25 118.09 1k72 h VAL 152 Ca -0.00 -1.73 -0.09 0.00 -1.01 0.00 0.00 66.70 63.86 1k72 h VAL 152 Cb 0.06 1.78 -0.01 0.00 -2.01 0.00 0.00 31.29 31.11 1k72 h VAL 152 CO 0.01 0.53 -0.14 0.00 -1.01 0.00 0.00 177.57 176.95 1k72 h ALA 154 N 0.80 0.67 -0.62 0.00 0.00 -0.87 -0.38 119.26 118.86 1k72 h ALA 154 Ca 0.08 -0.45 -0.05 0.00 0.00 0.00 0.00 54.91 54.50 1k72 h ALA 154 Cb 0.67 -0.12 -0.03 0.00 0.00 0.00 0.00 17.79 18.31 1k72 h ALA 154 CO 0.05 0.67 0.19 1.03 0.00 0.00 0.00 179.25 181.19 1k72 h SER 155 N 0.68 0.87 -0.36 0.00 0.87 -0.99 0.29 113.55 114.91 1k72 h SER 155 Ca 0.06 -0.15 -0.14 0.00 -1.23 0.00 0.00 61.79 60.33 1k72 h SER 155 Cb 0.95 -0.23 -0.01 0.00 -0.44 0.00 0.00 62.40 62.67 1k72 h SER 155 CO 0.09 0.82 -0.33 0.74 -0.53 0.00 0.00 176.83 177.61 1k72 h THR 156 N 0.91 1.28 -0.73 2.23 2.02 -1.05 -1.72 112.91 115.85 1k72 h THR 156 Ca 0.20 -1.50 0.01 0.00 0.77 0.00 0.00 66.41 65.89 1k72 h THR 156 Cb 0.26 1.42 -0.04 0.00 -1.74 0.00 0.00 68.15 68.05 1k72 h THR 156 CO -0.01 0.50 0.48 0.00 0.37 0.00 0.00 175.52 176.86 1k72 h ALA 157 N 0.76 0.94 -0.63 6.16 0.00 -0.62 0.36 119.26 126.22 1k72 h ALA 157 Ca 0.06 -0.05 -0.00 0.00 0.00 0.00 0.00 54.91 54.92 1k72 h ALA 157 Cb 0.92 -0.29 -0.03 0.00 0.00 0.00 0.00 17.79 18.39 1k72 h ALA 157 CO 0.08 0.33 0.39 0.00 0.00 0.00 0.00 179.25 180.05 1k72 h ALA 158 N 1.28 0.81 -0.19 0.00 0.00 -0.71 0.78 119.26 121.22 1k72 h ALA 158 Ca 0.27 -0.07 0.00 0.00 0.00 0.00 0.00 54.91 55.11 1k72 h ALA 158 Cb -0.09 -0.26 -0.01 0.00 0.00 0.00 0.00 17.79 17.43 1k72 h ALA 158 CO -0.07 0.28 0.12 1.03 0.00 0.00 0.00 179.25 180.61 1k72 h SER 159 N 0.86 0.23 -0.40 0.00 0.87 -0.71 0.34 113.55 114.74 1k72 h SER 159 Ca 0.23 -0.03 -0.10 0.00 -1.23 0.00 0.00 61.79 60.66 1k72 h SER 159 Cb -0.03 -0.06 -0.02 0.00 -0.44 0.00 0.00 62.40 61.86 1k72 h SER 159 CO -0.04 0.19 -0.11 -0.07 -0.53 0.00 0.00 176.83 176.27 1k72 h LEU 160 N 0.24 0.84 -0.19 2.23 3.38 -0.61 -0.26 115.31 120.93 1k72 h LEU 160 Ca 0.07 -0.26 -0.14 0.00 0.09 0.00 0.00 57.88 57.64 1k72 h LEU 160 Cb 0.00 -0.23 0.00 0.00 0.09 0.00 0.00 40.66 40.53 1k72 h LEU 160 CO -0.01 0.96 -0.45 0.00 0.09 0.00 0.00 178.44 179.03 1k72 h ALA 161 N 1.11 0.31 -0.52 1.53 0.00 -0.74 -1.71 119.26 119.25 1k72 h ALA 161 Ca 0.13 -0.47 -0.06 0.00 0.00 0.00 0.00 54.91 54.50 1k72 h ALA 161 Cb 0.61 -0.04 -0.02 0.00 0.00 0.00 0.00 17.79 18.33 1k72 h ALA 161 CO 0.04 0.45 0.06 0.66 0.00 0.00 0.00 179.25 180.46 1k72 h SER 162 N 0.32 0.78 -0.87 0.00 4.64 -0.85 -1.50 113.55 116.07 1k72 h SER 162 Ca -0.00 -0.17 -0.01 0.00 -0.47 0.00 0.00 61.79 61.14 1k72 h SER 162 Cb 1.06 -0.21 -0.04 0.00 -0.31 0.00 0.00 62.40 62.90 1k72 h SER 162 CO 0.10 0.81 0.51 0.00 -0.87 0.00 0.00 176.83 177.38 1k72 h ALA 163 N 1.28 1.11 -0.47 5.18 0.00 -0.88 -2.31 119.26 123.17 1k72 h ALA 163 Ca 0.16 -0.11 -0.02 0.00 0.00 0.00 0.00 54.91 54.94 1k72 h ALA 163 Cb 0.38 -0.35 -0.02 0.00 0.00 0.00 0.00 17.79 17.80 1k72 h ALA 163 CO 0.01 0.58 0.21 0.00 0.00 0.00 0.00 179.25 180.06 1k72 h ALA 164 N 1.28 0.61 -0.51 0.00 0.00 -0.56 0.04 119.26 120.11 1k72 h ALA 164 Ca 0.31 -0.13 0.06 0.00 0.00 0.00 0.00 54.91 55.15 1k72 h ALA 164 Cb -0.03 -0.19 -0.05 0.00 0.00 0.00 0.00 17.79 17.52 1k72 h ALA 164 CO -0.06 0.19 0.22 0.28 0.00 0.00 0.00 179.25 179.88 1k72 h VAL 165 N 0.62 0.88 0.00 0.00 2.07 -0.96 0.11 116.25 118.97 1k72 h VAL 165 Ca 0.16 -0.15 0.00 0.00 0.82 0.00 0.00 66.70 67.53 1k72 h VAL 165 Cb 0.15 0.42 0.00 0.00 -1.52 0.00 0.00 31.29 30.33 1k72 h VAL 165 CO -0.02 0.08 -0.25 -0.37 0.02 0.00 0.00 177.57 177.03 1k72 h VAL 166 N 0.43 0.00 0.00 2.57 -1.51 -1.04 -3.31 116.25 113.39 1k72 h VAL 166 Ca 0.24 -0.65 0.00 0.00 -1.23 0.00 0.00 66.70 65.06 1k72 h VAL 166 Cb 0.21 1.50 0.00 0.00 -2.13 0.00 0.00 31.29 30.87 1k72 h VAL 166 CO -0.21 0.00 -1.18 0.49 -1.23 0.00 0.00 177.57 175.44 1k72 n PHE 167 N -2.45 0.00 -0.20 5.19 3.72 -0.03 -4.64 117.46 119.04 1k72 n PHE 167 Ca 0.04 0.00 0.01 0.00 -0.05 0.00 0.00 57.45 57.45 1k72 n PHE 167 Cb 0.47 -0.10 0.11 0.00 -0.94 0.00 0.00 39.48 39.02 1k72 n PHE 167 CO 0.00 0.00 0.00 -0.22 -0.05 0.00 0.00 176.76 176.49 1k72 h LYS 168 N 0.00 0.21 -0.65 -1.08 1.63 -1.06 0.27 116.57 115.88 1k72 h LYS 168 Ca 0.00 -0.01 -0.03 0.00 -0.85 0.00 0.00 60.65 59.75 1k72 h LYS 168 Cb 0.59 -0.05 -0.03 0.00 -0.60 0.00 0.00 32.23 32.14 1k72 h LYS 168 CO 0.00 0.14 0.27 0.77 -3.45 0.00 0.00 179.45 177.18 1k72 h SER 169 N 0.21 0.89 0.43 4.20 0.02 -1.83 -2.94 113.55 114.53 1k72 h SER 169 Ca 0.33 -0.16 -0.07 0.00 -0.84 0.00 0.00 61.79 61.04 1k72 h SER 169 Cb 0.51 -0.23 -0.01 0.00 0.14 0.00 0.00 62.40 62.80 1k72 h SER 169 CO -0.45 0.81 -1.64 -1.54 -1.14 0.00 0.00 176.83 172.88 1k72 n SER 170 N -4.43 0.42 -2.98 3.07 3.41 -1.06 -4.75 113.62 107.31 1k72 n SER 170 Ca 0.05 0.17 -0.15 0.00 -0.26 0.00 0.00 58.87 58.68 1k72 n SER 170 Cb 0.16 1.08 -0.02 0.00 -0.26 0.00 0.00 64.21 65.17 1k72 n SER 170 CO 0.00 0.00 0.00 -0.67 -0.16 0.00 0.00 175.04 174.21 1k72 n ASP 171 N -2.56 -1.75 -0.14 4.04 -0.08 0.93 -5.00 116.55 111.99 1k72 n ASP 171 Ca -0.07 -2.90 0.09 0.00 -1.51 0.00 0.00 54.79 50.39 1k72 n ASP 171 Cb 0.68 0.73 0.41 0.00 2.34 0.00 0.00 41.12 45.28 1k72 n ASP 171 CO 0.00 0.00 0.00 1.55 0.12 0.00 0.00 177.20 178.87 1k72 h PRO 172 N 4.46 0.59 -0.60 -0.67 0.13 -1.64 -1.17 132.00 133.10 1k72 h PRO 172 Ca 0.02 -0.04 -0.05 0.00 -0.87 0.00 0.00 66.00 65.07 1k72 h PRO 172 Cb 0.98 -0.13 -0.03 0.00 0.13 0.00 0.00 31.00 31.95 1k72 h PRO 172 CO 0.31 0.39 0.18 1.15 -0.23 0.00 0.00 178.00 179.80 1k72 h THR 173 N 0.61 1.25 -0.37 1.56 2.02 -1.92 0.84 112.91 116.90 1k72 h THR 173 Ca 0.30 -0.85 -0.12 0.00 0.77 0.00 0.00 66.41 66.51 1k72 h THR 173 Cb 0.38 0.65 -0.01 0.00 -1.74 0.00 0.00 68.15 67.44 1k72 h THR 173 CO -0.10 0.32 -0.23 0.22 0.37 0.00 0.00 175.52 176.10 1k72 h TYR 174 N 0.86 0.94 -0.92 3.16 -0.00 -1.73 -1.49 116.97 117.79 1k72 h TYR 174 Ca 0.19 -0.25 0.00 0.00 -0.00 0.00 0.00 58.73 58.68 1k72 h TYR 174 Cb 0.31 -0.21 -0.04 0.00 -0.00 0.00 0.00 36.73 36.78 1k72 h TYR 174 CO 0.02 1.01 0.58 0.00 -0.00 0.00 0.00 178.16 179.77 1k72 h ALA 175 N 0.78 1.29 -0.55 1.82 0.00 -0.94 0.15 119.26 121.82 1k72 h ALA 175 Ca 0.07 -0.08 -0.09 0.00 0.00 0.00 0.00 54.91 54.81 1k72 h ALA 175 Cb 0.80 -0.37 -0.02 0.00 0.00 0.00 0.00 17.79 18.20 1k72 h ALA 175 CO 0.06 0.63 -0.00 1.49 0.00 0.00 0.00 179.25 181.43 1k72 h GLU 176 N 1.25 0.97 -0.41 0.00 4.81 -0.64 -0.88 114.58 119.68 1k72 h GLU 176 Ca 0.33 -0.31 -0.05 0.00 -0.13 0.00 0.00 59.36 59.20 1k72 h GLU 176 Cb -0.10 -0.09 -0.02 0.00 0.63 0.00 0.00 28.75 29.18 1k72 h GLU 176 CO -0.07 0.98 0.08 -0.22 -0.73 0.00 0.00 179.01 179.05 1k72 h LYS 177 N 0.85 0.67 -0.56 1.92 3.64 -0.53 -2.21 116.57 120.36 1k72 h LYS 177 Ca 0.16 -0.18 0.03 0.00 -1.27 0.00 0.00 60.65 59.39 1k72 h LYS 177 Cb 0.54 -0.08 -0.04 0.00 -0.41 0.00 0.00 32.23 32.24 1k72 h LYS 177 CO 0.03 0.71 0.32 0.00 -2.27 0.00 0.00 179.45 178.24 1k72 h ILE 179 N 0.64 1.22 -0.51 0.00 2.04 -1.02 0.77 117.51 120.65 1k72 h ILE 179 Ca 0.23 -0.51 0.03 0.00 1.00 0.00 0.00 64.86 65.61 1k72 h ILE 179 Cb 0.06 0.14 -0.04 0.00 -0.74 0.00 0.00 36.82 36.24 1k72 h ILE 179 CO -0.12 0.24 0.30 -1.28 0.00 0.00 0.00 178.15 177.29 1k72 h SER 180 N 1.08 0.47 0.05 1.72 0.87 -1.10 0.24 113.55 116.88 1k72 h SER 180 Ca 0.28 0.01 -0.21 0.00 -1.23 0.00 0.00 61.79 60.65 1k72 h SER 180 Cb -0.03 -0.09 0.00 0.00 -0.44 0.00 0.00 62.40 61.85 1k72 h SER 180 CO -0.05 0.33 -0.76 0.45 -0.53 0.00 0.00 176.83 176.27 1k72 h HIS 181 N 0.59 0.82 -0.75 2.24 3.86 -1.19 -2.91 115.15 117.81 1k72 h HIS 181 Ca 0.21 -0.36 -0.00 0.00 -1.16 0.00 0.00 60.37 59.05 1k72 h HIS 181 Cb 0.04 -0.13 -0.04 0.00 1.06 0.00 0.00 27.41 28.35 1k72 h HIS 181 CO -0.07 1.16 0.45 0.00 0.86 0.00 0.00 177.93 180.33 1k72 h ALA 182 N 0.74 0.95 -0.75 2.45 0.00 -0.18 -1.58 119.26 120.90 1k72 h ALA 182 Ca -0.04 -0.09 -0.00 0.00 0.00 0.00 0.00 54.91 54.78 1k72 h ALA 182 Cb 1.36 -0.30 -0.04 0.00 0.00 0.00 0.00 17.79 18.82 1k72 h ALA 182 CO 0.14 0.42 0.45 0.87 0.00 0.00 0.00 179.25 181.14 1k72 h LYS 183 N 1.02 1.02 -0.26 0.00 1.57 -0.51 -0.45 116.57 118.96 1k72 h LYS 183 Ca 0.27 -0.09 -0.04 0.00 -1.87 0.00 0.00 60.65 58.91 1k72 h LYS 183 Cb -0.04 -0.21 -0.01 0.00 0.08 0.00 0.00 32.23 32.05 1k72 h LYS 183 CO -0.05 0.73 -0.00 -0.97 -0.57 0.00 0.00 179.45 178.58 1k72 h ASN 184 N 1.03 0.46 -0.44 0.86 -0.00 -1.23 -0.76 115.58 115.49 1k72 h ASN 184 Ca 0.27 -0.31 -0.09 0.00 -0.00 0.00 0.00 56.30 56.17 1k72 h ASN 184 Cb -0.03 -0.12 -0.02 0.00 -0.00 0.00 0.00 38.32 38.15 1k72 h ASN 184 CO -0.05 0.66 -0.05 -0.07 -0.00 0.00 0.00 177.43 177.92 1k72 h LEU 185 N 0.25 0.85 -0.37 0.34 3.38 -1.18 -0.95 115.31 117.62 1k72 h LEU 185 Ca 0.07 -0.24 -0.09 0.00 0.09 0.00 0.00 57.88 57.71 1k72 h LEU 185 Cb 0.42 -0.23 -0.01 0.00 0.09 0.00 0.00 40.66 40.93 1k72 h LEU 185 CO 0.01 0.94 -0.13 0.15 0.09 0.00 0.00 178.44 179.51 1k72 h PHE 186 N 0.80 0.84 -0.75 1.13 3.57 -1.04 -1.84 116.94 119.66 1k72 h PHE 186 Ca 0.14 -0.19 -0.00 0.00 3.53 0.00 0.00 57.97 61.44 1k72 h PHE 186 Cb 0.55 -0.20 -0.04 0.00 2.79 0.00 0.00 35.95 39.05 1k72 h PHE 186 CO 0.03 0.91 0.45 0.22 -2.23 0.00 0.00 178.31 177.69 1k72 h ASP 187 N 0.54 0.90 -0.23 0.41 3.58 -0.88 0.15 116.42 120.89 1k72 h ASP 187 Ca 0.09 -0.07 0.00 0.00 0.42 0.00 0.00 57.03 57.48 1k72 h ASP 187 Cb 0.66 -0.23 -0.01 0.00 1.72 0.00 0.00 39.33 41.47 1k72 h ASP 187 CO 0.04 0.70 0.15 0.24 -2.88 0.00 0.00 179.24 177.50 1k72 h MET 188 N 1.02 0.30 -0.30 0.28 2.86 -1.08 -1.36 114.93 116.66 1k72 h MET 188 Ca 0.27 -0.02 -0.00 0.00 -2.06 0.00 0.00 59.70 57.89 1k72 h MET 188 Cb -0.03 -0.07 -0.01 0.00 0.06 0.00 0.00 31.60 31.55 1k72 h MET 188 CO -0.05 0.20 0.17 0.00 1.06 0.00 0.00 176.91 178.29 1k72 h ALA 189 N 1.09 0.38 -0.41 6.32 0.00 -0.91 -2.00 119.26 123.73 1k72 h ALA 189 Ca 0.08 -0.06 -0.01 0.00 0.00 0.00 0.00 54.91 54.92 1k72 h ALA 189 Cb -0.03 -0.12 -0.02 0.00 0.00 0.00 0.00 17.79 17.62 1k72 h ALA 189 CO -0.02 -0.10 0.21 0.22 0.00 0.00 0.00 179.25 179.56 1k72 h ASP 190 N 0.37 0.52 -0.42 0.00 3.58 -0.59 -1.21 116.42 118.67 1k72 h ASP 190 Ca 0.11 -0.10 -0.13 0.00 0.42 0.00 0.00 57.03 57.32 1k72 h ASP 190 Cb 0.04 -0.13 -0.01 0.00 1.72 0.00 0.00 39.33 40.94 1k72 h ASP 190 CO -0.02 0.47 -0.23 0.11 -2.88 0.00 0.00 179.24 176.69 1k72 h LYS 191 N 0.52 0.94 -0.02 0.28 1.57 -1.21 -3.33 116.57 115.31 1k72 h LYS 191 Ca 0.14 -0.40 -0.08 0.00 -1.87 0.00 0.00 60.65 58.44 1k72 h LYS 191 Cb 0.08 -0.03 0.01 0.00 0.08 0.00 0.00 32.23 32.36 1k72 h LYS 191 CO -0.02 1.06 -0.29 0.00 -0.57 0.00 0.00 179.45 179.64 1k72 h ALA 192 N 0.92 0.07 -6.58 3.86 0.00 -1.28 -3.48 119.26 112.77 1k72 h ALA 192 Ca 0.10 -0.46 -0.51 0.00 0.00 0.00 0.00 54.91 54.04 1k72 h ALA 192 Cb 0.80 0.01 -0.02 0.00 0.00 0.00 0.00 17.79 18.57 1k72 h ALA 192 CO 0.07 0.12 -0.94 1.63 0.00 0.00 0.00 179.25 180.13 1k72 n LYS 193 N -4.47 -1.77 -3.60 0.00 5.02 -0.46 -4.96 118.16 107.92 1k72 n LYS 193 Ca -0.09 0.31 -0.12 0.00 -2.02 0.00 0.00 58.31 56.39 1k72 n LYS 193 Cb 0.50 -3.89 -0.06 0.00 -0.02 0.00 0.00 35.03 31.56 1k72 n LYS 193 CO 0.00 0.00 0.00 0.45 -0.52 0.00 0.00 177.40 177.33 1k72 s SER 194 N -3.94 -0.51 -0.16 4.39 0.15 -1.26 -5.02 113.70 107.34 1k72 s SER 194 Ca 0.24 0.80 0.16 0.00 0.70 0.00 0.00 55.95 57.85 1k72 s SER 194 Cb -0.10 0.74 0.54 0.00 -1.71 0.00 0.00 66.02 65.49 1k72 s SER 194 CO 0.91 -0.31 1.44 0.47 1.20 0.00 0.00 173.24 176.96 1k72 n ASP 195 N 1.61 3.99 -0.35 5.45 8.00 -1.26 -0.84 116.55 133.15 1k72 n ASP 195 Ca -0.13 -2.89 0.08 0.00 0.71 0.00 0.00 54.79 52.56 1k72 n ASP 195 Cb 0.57 -0.53 0.26 0.00 -0.02 0.00 0.00 41.12 41.40 1k72 n ASP 195 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1k72 h ALA 196 N 2.10 1.56 -0.00 2.24 0.00 -1.92 -0.63 119.26 122.61 1k72 h ALA 196 Ca 0.00 0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.94 1k72 h ALA 196 Cb 1.42 -0.19 0.00 0.00 0.00 0.00 0.00 17.79 19.02 1k72 h ALA 196 CO 0.23 0.17 -0.11 0.41 0.00 0.00 0.00 179.25 179.95 1k72 n GLY 197 N -1.35 -0.89 3.49 0.00 0.00 0.20 -4.62 105.19 102.01 1k72 n GLY 197 Ca 0.19 -0.28 -0.43 0.00 0.00 0.00 0.00 46.02 45.50 1k72 n GLY 197 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 1k72 s TYR 198 N -2.44 3.00 0.00 1.61 5.04 -0.24 -4.72 117.35 119.59 1k72 s TYR 198 Ca 0.30 -1.36 0.00 0.00 -2.44 0.00 0.00 57.07 53.57 1k72 s TYR 198 Cb 0.20 -4.42 0.00 0.00 0.35 0.00 0.00 41.96 38.09 1k72 s TYR 198 CO 0.47 -1.61 0.00 0.25 -1.34 0.00 0.00 175.55 173.32 1k72 n THR 199 N 5.79 0.00 0.28 4.34 -2.24 -1.26 -4.76 114.28 116.42 1k72 n THR 199 Ca 0.29 0.00 0.17 0.00 -2.27 0.00 0.00 64.05 62.24 1k72 n THR 199 Cb 0.49 -0.62 0.87 0.00 -2.10 0.00 0.00 70.33 68.96 1k72 n THR 199 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1k72 h ALA 200 N 0.00 1.00 -0.68 6.98 0.00 -1.99 -2.31 119.26 122.25 1k72 h ALA 200 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 1k72 h ALA 200 Cb 0.74 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.53 1k72 h ALA 200 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 179.25 179.25 1k72 n ALA 201 N -1.95 2.73 -1.69 0.00 0.00 -1.26 -4.70 120.51 113.64 1k72 n ALA 201 Ca -0.01 -1.46 -0.44 0.00 0.00 0.00 0.00 53.44 51.53 1k72 n ALA 201 Cb 0.11 -0.95 -0.04 0.00 0.00 0.00 0.00 19.45 18.57 1k72 n ALA 201 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 1k72 n SER 202 N 1.35 3.71 0.00 0.00 2.88 -0.87 -0.38 113.62 120.31 1k72 n SER 202 Ca 0.25 1.03 0.00 0.00 -1.33 0.00 0.00 58.87 58.82 1k72 n SER 202 Cb 0.76 -1.50 0.00 0.00 -0.75 0.00 0.00 64.21 62.71 1k72 n SER 202 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1k72 n GLY 203 N 3.95 3.35 0.59 0.46 0.00 -1.26 -4.80 105.19 107.49 1k72 n GLY 203 Ca 0.18 0.00 -0.05 0.00 0.00 0.00 0.00 46.02 46.15 1k72 n GLY 203 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 1k72 n TYR 204 N -1.80 0.00 -2.63 1.61 4.02 -0.26 -4.89 117.16 113.21 1k72 n TYR 204 Ca 0.00 0.00 -0.17 0.00 -0.01 0.00 0.00 57.90 57.72 1k72 n TYR 204 Cb 0.00 -0.25 0.01 0.00 -0.02 0.00 0.00 39.34 39.08 1k72 n TYR 204 CO 0.00 0.00 0.00 0.66 -1.01 0.00 0.00 176.86 176.51 1k72 n TYR 205 N -3.94 2.10 -1.77 -0.72 4.01 0.49 -5.09 117.16 112.24 1k72 n TYR 205 Ca -0.08 -3.02 -0.39 0.00 -0.16 0.00 0.00 57.90 54.25 1k72 n TYR 205 Cb 0.27 -0.27 0.03 0.00 -0.31 0.00 0.00 39.34 39.06 1k72 n TYR 205 CO 0.00 0.00 0.00 -1.12 -0.46 0.00 0.00 176.86 175.28 1k72 s SER 206 N -3.26 5.60 -0.19 7.72 0.01 -1.21 -4.83 113.70 117.53 1k72 s SER 206 Ca 0.37 2.89 -0.14 0.00 1.31 0.00 0.00 55.95 60.37 1k72 s SER 206 Cb 0.42 -2.65 -0.04 0.00 0.21 0.00 0.00 66.02 63.96 1k72 s SER 206 CO -0.06 -1.36 0.32 -0.55 0.41 0.00 0.00 173.24 171.99 1k72 s SER 207 N -0.66 6.38 0.00 2.44 0.15 -1.26 -4.95 113.70 115.80 1k72 s SER 207 Ca 0.65 0.44 0.21 0.00 0.70 0.00 0.00 55.95 57.95 1k72 s SER 207 Cb -0.43 -2.19 0.28 0.00 -1.71 0.00 0.00 66.02 61.97 1k72 s SER 207 CO 0.54 0.01 1.25 -1.54 1.20 0.00 0.00 173.24 174.70 1k72 n SER 208 N 4.09 3.01 -3.60 5.45 3.41 -1.26 -4.98 113.62 119.74 1k72 n SER 208 Ca -0.11 -1.90 -0.10 0.00 -0.26 0.00 0.00 58.87 56.50 1k72 n SER 208 Cb 0.52 -0.12 -0.06 0.00 -0.26 0.00 0.00 64.21 64.29 1k72 n SER 208 CO 0.00 0.00 0.00 -0.94 -0.16 0.00 0.00 175.04 173.94 1k72 s SER 209 N -1.53 -0.38 0.00 4.04 1.04 -1.26 -5.06 113.70 110.54 1k72 s SER 209 Ca 0.30 0.56 0.00 0.00 0.48 0.00 0.00 55.95 57.28 1k72 s SER 209 Cb 0.19 0.50 0.00 0.00 0.10 0.00 0.00 66.02 66.81 1k72 s SER 209 CO 0.27 -0.26 0.00 2.22 0.98 0.00 0.00 173.24 176.45 1k72 n PHE 210 N 1.30 0.00 0.15 5.02 1.16 -1.26 -4.73 117.46 119.10 1k72 n PHE 210 Ca -0.11 0.00 0.02 0.00 -1.87 0.00 0.00 57.45 55.49 1k72 n PHE 210 Cb 0.57 0.00 0.36 0.00 -1.61 0.00 0.00 39.48 38.80 1k72 n PHE 210 CO 0.00 0.00 0.00 1.88 -1.87 0.00 0.00 176.76 176.77 1k72 h TYR 211 N 0.00 0.14 -0.27 2.97 -1.99 -1.94 -0.65 116.97 115.23 1k72 h TYR 211 Ca 0.00 -0.02 -0.04 0.00 2.00 0.00 0.00 58.73 60.66 1k72 h TYR 211 Cb 0.00 -0.04 -0.01 0.00 2.00 0.00 0.00 36.73 38.68 1k72 h TYR 211 CO 0.00 0.39 0.01 0.38 -0.00 0.00 0.00 178.16 178.94 1k72 h ASP 212 N 0.12 0.46 -0.88 3.88 2.03 -1.91 -2.25 116.42 117.86 1k72 h ASP 212 Ca 0.02 -0.30 -0.02 0.00 -0.73 0.00 0.00 57.03 56.00 1k72 h ASP 212 Cb 0.54 -0.12 -0.04 0.00 -0.83 0.00 0.00 39.33 38.88 1k72 h ASP 212 CO 0.04 0.65 0.49 0.44 -1.03 0.00 0.00 179.24 179.83 1k72 h ASP 213 N 0.26 1.09 -0.28 4.15 5.19 -1.74 -1.40 116.42 123.70 1k72 h ASP 213 Ca 0.08 -0.09 0.01 0.00 -0.62 0.00 0.00 57.03 56.40 1k72 h ASP 213 Cb 0.41 -0.28 -0.02 0.00 0.18 0.00 0.00 39.33 39.62 1k72 h ASP 213 CO 0.01 0.87 0.16 -0.07 -3.12 0.00 0.00 179.24 177.10 1k72 h LEU 214 N 1.23 0.27 -0.29 1.55 3.38 -0.99 0.69 115.31 121.14 1k72 h LEU 214 Ca 0.31 0.00 -0.02 0.00 0.09 0.00 0.00 57.88 58.26 1k72 h LEU 214 Cb 0.02 -0.06 -0.01 0.00 0.09 0.00 0.00 40.66 40.70 1k72 h LEU 214 CO -0.05 0.19 0.08 0.28 0.09 0.00 0.00 178.44 179.04 1k72 h SER 215 N 0.34 0.42 -0.11 -0.43 0.02 -1.07 -0.23 113.55 112.48 1k72 h SER 215 Ca 0.11 -0.21 0.03 0.00 -0.84 0.00 0.00 61.79 60.88 1k72 h SER 215 Cb -0.01 -0.11 -0.04 0.00 0.14 0.00 0.00 62.40 62.39 1k72 h SER 215 CO -0.05 0.52 -0.11 -0.25 -1.14 0.00 0.00 176.83 175.81 1k72 h TRP 216 N 0.30 -0.27 -0.35 3.45 2.91 -1.13 0.78 115.95 121.63 1k72 h TRP 216 Ca 0.09 0.02 -0.01 0.00 1.13 0.00 0.00 58.89 60.12 1k72 h TRP 216 Cb 0.26 0.14 -0.02 0.00 -0.51 0.00 0.00 29.16 29.03 1k72 h TRP 216 CO 0.01 -0.17 0.18 0.00 -1.03 0.00 0.00 178.44 177.43 1k72 h ALA 217 N 0.94 0.45 -0.86 2.65 0.00 -0.77 -2.06 119.26 119.62 1k72 h ALA 217 Ca 0.08 -0.10 0.01 0.00 0.00 0.00 0.00 54.91 54.90 1k72 h ALA 217 Cb 0.25 -0.14 -0.04 0.00 0.00 0.00 0.00 17.79 17.86 1k72 h ALA 217 CO -0.19 0.01 0.56 0.00 0.00 0.00 0.00 179.25 179.62 1k72 h ALA 218 N 1.03 1.09 -0.34 0.00 0.00 -0.74 0.09 119.26 120.38 1k72 h ALA 218 Ca 0.12 -0.07 -0.00 0.00 0.00 0.00 0.00 54.91 54.96 1k72 h ALA 218 Cb 0.10 -0.35 -0.02 0.00 0.00 0.00 0.00 17.79 17.53 1k72 h ALA 218 CO -0.02 0.50 0.20 0.28 0.00 0.00 0.00 179.25 180.21 1k72 h VAL 219 N 1.16 1.12 -0.29 0.00 2.07 -0.66 -0.88 116.25 118.78 1k72 h VAL 219 Ca 0.31 -0.30 -0.09 0.00 0.82 0.00 0.00 66.70 67.44 1k72 h VAL 219 Cb -0.12 0.71 -0.01 0.00 -1.52 0.00 0.00 31.29 30.34 1k72 h VAL 219 CO -0.07 0.12 -0.22 -0.50 0.02 0.00 0.00 177.57 176.93 1k72 h TRP 220 N 0.44 0.60 -0.10 1.57 4.06 -1.03 -2.00 115.95 119.49 1k72 h TRP 220 Ca 0.12 -0.12 -0.09 0.00 2.06 0.00 0.00 58.89 60.86 1k72 h TRP 220 Cb 0.03 -0.15 -0.01 0.00 -1.00 0.00 0.00 29.16 28.02 1k72 h TRP 220 CO -0.04 0.72 -0.36 -0.07 -3.56 0.00 0.00 178.44 175.13 1k72 h LEU 221 N 0.48 0.21 -0.36 -4.49 3.38 -0.80 -0.57 115.31 113.15 1k72 h LEU 221 Ca 0.07 -0.08 -0.05 0.00 0.09 0.00 0.00 57.88 57.92 1k72 h LEU 221 Cb 0.64 -0.06 -0.01 0.00 0.09 0.00 0.00 40.66 41.32 1k72 h LEU 221 CO 0.05 0.56 0.02 0.22 0.09 0.00 0.00 178.44 179.38 1k72 h TYR 222 N 0.17 0.68 -0.21 1.13 3.20 -0.66 -0.79 116.97 120.49 1k72 h TYR 222 Ca 0.02 -0.11 -0.08 0.00 3.14 0.00 0.00 58.73 61.71 1k72 h TYR 222 Cb 0.73 -0.18 -0.01 0.00 1.54 0.00 0.00 36.73 38.80 1k72 h TYR 222 CO 0.01 0.71 -0.20 -0.07 -1.64 0.00 0.00 178.16 176.97 1k72 h LEU 223 N 0.45 0.37 -0.08 2.82 3.38 -1.03 0.52 115.31 121.74 1k72 h LEU 223 Ca 0.11 -0.10 -0.21 0.00 0.09 0.00 0.00 57.88 57.77 1k72 h LEU 223 Cb 0.42 -0.10 -0.03 0.00 0.09 0.00 0.00 40.66 41.05 1k72 h LEU 223 CO 0.01 0.58 -0.98 0.00 0.09 0.00 0.00 178.44 178.15 1k72 h ALA 224 N 1.45 0.40 0.00 1.53 0.00 -0.96 -3.38 119.26 118.31 1k72 h ALA 224 Ca 0.06 -0.86 0.00 0.00 0.00 0.00 0.00 54.91 54.11 1k72 h ALA 224 Cb 0.55 -0.14 0.00 0.00 0.00 0.00 0.00 17.79 18.20 1k72 h ALA 224 CO 0.04 1.16 -1.43 0.25 0.00 0.00 0.00 179.25 179.27 1k72 n THR 225 N -3.43 0.00 -1.68 0.00 -2.24 -0.31 -4.88 114.28 101.74 1k72 n THR 225 Ca -0.01 -0.22 -0.16 0.00 -2.27 0.00 0.00 64.05 61.39 1k72 n THR 225 Cb 0.91 0.28 -0.05 0.00 -2.10 0.00 0.00 70.33 69.37 1k72 n THR 225 CO 0.00 0.00 0.00 0.59 -0.57 0.00 0.00 175.07 175.09 1k72 n ASN 226 N -1.83 -4.86 -4.43 3.42 4.13 0.18 -4.96 115.26 106.91 1k72 n ASN 226 Ca -0.02 0.28 -0.43 0.00 1.68 0.00 0.00 54.58 56.10 1k72 n ASN 226 Cb 0.25 -3.81 -0.09 0.00 -1.54 0.00 0.00 39.78 34.58 1k72 n ASN 226 CO 0.00 0.00 0.00 -0.62 0.28 0.00 0.00 177.26 176.92 1k72 s ASP 227 N -2.69 6.08 0.22 6.41 -1.08 -1.25 -4.96 116.67 119.41 1k72 s ASP 227 Ca 0.00 -1.02 0.14 0.00 -0.52 0.00 0.00 52.55 51.15 1k72 s ASP 227 Cb 0.00 -2.15 0.77 0.00 -1.46 0.00 0.00 42.92 40.08 1k72 s ASP 227 CO 0.00 -0.50 1.42 -1.54 0.52 0.00 0.00 175.17 175.07 1k72 n SER 228 N 5.15 0.37 -0.27 -0.34 3.41 -1.26 -1.84 113.62 118.83 1k72 n SER 228 Ca -0.11 0.66 0.05 0.00 -0.26 0.00 0.00 58.87 59.21 1k72 n SER 228 Cb 0.46 -0.69 0.20 0.00 -0.26 0.00 0.00 64.21 63.91 1k72 n SER 228 CO 0.00 0.00 0.00 0.74 -0.16 0.00 0.00 175.04 175.62 1k72 h THR 229 N 0.00 0.73 -0.09 6.66 2.02 -2.00 -1.44 112.91 118.78 1k72 h THR 229 Ca 0.00 -0.19 -0.12 0.00 0.77 0.00 0.00 66.41 66.87 1k72 h THR 229 Cb 0.07 0.12 -0.01 0.00 -1.74 0.00 0.00 68.15 66.58 1k72 h THR 229 CO 0.00 0.10 -0.48 1.88 0.37 0.00 0.00 175.52 177.40 1k72 h TYR 230 N 0.56 0.28 -0.41 3.16 0.05 -1.68 -2.11 116.97 116.82 1k72 h TYR 230 Ca 0.43 -0.09 -0.08 0.00 0.05 0.00 0.00 58.73 59.04 1k72 h TYR 230 Cb 0.59 -0.06 -0.01 0.00 1.01 0.00 0.00 36.73 38.26 1k72 h TYR 230 CO -0.12 0.67 -0.05 1.25 -1.05 0.00 0.00 178.16 178.86 1k72 h LEU 231 N 0.19 0.76 -0.43 3.88 5.85 -1.44 -0.68 115.31 123.44 1k72 h LEU 231 Ca 0.01 -0.34 0.01 0.00 0.84 0.00 0.00 57.88 58.40 1k72 h LEU 231 Cb 0.91 -0.21 -0.03 0.00 0.37 0.00 0.00 40.66 41.71 1k72 h LEU 231 CO 0.07 0.92 0.27 0.44 -0.34 0.00 0.00 178.44 179.80 1k72 h ASP 232 N 0.58 0.45 -0.64 1.25 3.32 -1.20 -1.95 116.42 118.23 1k72 h ASP 232 Ca 0.11 -0.00 0.01 0.00 0.02 0.00 0.00 57.03 57.16 1k72 h ASP 232 Cb 0.56 -0.10 -0.03 0.00 0.22 0.00 0.00 39.33 39.98 1k72 h ASP 232 CO 0.03 0.32 0.42 0.11 -1.72 0.00 0.00 179.24 178.41 1k72 h LYS 233 N 0.54 0.84 -0.68 3.56 1.57 -1.12 -1.86 116.57 119.43 1k72 h LYS 233 Ca 0.17 -0.05 0.04 0.00 -1.87 0.00 0.00 60.65 58.93 1k72 h LYS 233 Cb -0.03 -0.19 -0.05 0.00 0.08 0.00 0.00 32.23 32.05 1k72 h LYS 233 CO -0.06 0.56 0.41 0.00 -0.57 0.00 0.00 179.45 179.79 1k72 h ALA 234 N 1.23 0.89 0.00 3.86 0.00 -0.64 -1.92 119.26 122.70 1k72 h ALA 234 Ca 0.23 -0.01 -0.10 0.00 0.00 0.00 0.00 54.91 55.03 1k72 h ALA 234 Cb -0.10 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 17.48 1k72 h ALA 234 CO -0.05 0.16 -0.47 0.93 0.00 0.00 0.00 179.25 179.82 1k72 h GLU 235 N 0.80 0.00 0.00 0.00 5.08 -1.06 -3.22 114.58 116.17 1k72 h GLU 235 Ca 0.28 0.00 -0.04 0.00 -1.00 0.00 0.00 59.36 58.60 1k72 h GLU 235 Cb 0.06 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.31 1k72 h GLU 235 CO -0.13 0.47 -0.20 0.66 -1.00 0.00 0.00 179.01 178.81 1k72 h SER 236 N 0.00 0.00 1.37 1.42 4.64 -0.50 -2.83 113.55 117.65 1k72 h SER 236 Ca -0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1k72 h SER 236 Cb 0.83 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.92 1k72 h SER 236 CO 0.06 0.20 -0.15 1.88 -0.87 0.00 0.00 176.83 177.95 1k72 h TYR 237 N 0.00 0.00 -0.86 4.77 -1.99 -1.56 -3.38 116.97 113.95 1k72 h TYR 237 Ca -0.00 0.00 0.20 0.00 2.00 0.00 0.00 58.73 60.93 1k72 h TYR 237 Cb 0.43 0.00 -0.12 0.00 2.00 0.00 0.00 36.73 39.05 1k72 h TYR 237 CO 0.00 0.00 0.36 0.28 -0.00 0.00 0.00 178.16 178.80 1k72 h VAL 238 N 0.00 0.52 0.00 -2.88 2.07 -1.64 0.22 116.25 114.54 1k72 h VAL 238 Ca 0.00 -0.14 -0.01 0.00 0.82 0.00 0.00 66.70 67.36 1k72 h VAL 238 Cb 0.76 0.07 -0.00 0.00 -1.52 0.00 0.00 31.29 30.60 1k72 h VAL 238 CO 0.00 0.08 -0.06 -0.65 0.02 0.00 0.00 177.57 176.96 1k72 h PRO 239 N 0.42 0.00 -0.01 1.57 0.11 -1.81 -1.47 132.00 130.81 1k72 h PRO 239 Ca 0.52 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.63 1k72 h PRO 239 Cb 0.93 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.04 1k72 h PRO 239 CO -0.50 0.06 -0.19 0.09 -0.21 0.00 0.00 178.00 177.25 1k72 n ASN 240 N -3.57 1.26 -4.75 -2.05 3.02 0.05 -4.93 115.26 104.30 1k72 n ASN 240 Ca -0.02 -1.12 -0.33 0.00 -0.03 0.00 0.00 54.58 53.08 1k72 n ASN 240 Cb 0.17 0.11 0.07 0.00 -0.61 0.00 0.00 39.78 39.53 1k72 n ASN 240 CO 0.00 0.00 0.00 0.26 -2.62 0.00 0.00 177.26 174.90 1k72 s TRP 241 N -2.35 2.37 0.50 3.10 0.51 -0.56 -4.87 118.94 117.65 1k72 s TRP 241 Ca 0.28 1.58 -0.23 0.00 -2.12 0.00 0.00 56.10 55.61 1k72 s TRP 241 Cb 0.20 -3.26 -0.06 0.00 -0.81 0.00 0.00 33.47 29.53 1k72 s TRP 241 CO 0.47 -2.06 1.32 0.20 -0.51 0.00 0.00 176.95 176.37 1k72 s GLY 242 N -2.49 2.87 0.42 0.98 0.00 -1.26 -4.88 107.32 102.96 1k72 s GLY 242 Ca 0.69 1.26 0.07 0.00 0.00 0.00 0.00 44.72 46.74 1k72 s GLY 242 CO 0.45 1.78 0.21 0.54 0.00 0.00 0.00 173.10 176.08 1k72 s LYS 243 N -2.75 2.26 0.11 2.90 1.02 -1.26 -1.07 119.74 120.95 1k72 s LYS 243 Ca 0.67 -1.83 -0.30 0.00 0.02 0.00 0.00 55.97 54.53 1k72 s LYS 243 Cb -0.38 -2.02 -0.06 0.00 -0.52 0.00 0.00 37.83 34.84 1k72 s LYS 243 CO 0.46 -0.16 1.16 -1.21 -0.92 0.00 0.00 175.35 174.68 1k72 s GLU 244 N -3.95 4.50 0.00 1.68 0.41 0.22 -4.42 118.70 117.14 1k72 s GLU 244 Ca 0.41 1.75 0.00 0.00 -0.41 0.00 0.00 54.97 56.72 1k72 s GLU 244 Cb 0.03 -3.32 0.00 0.00 -1.78 0.00 0.00 34.13 29.06 1k72 s GLU 244 CO 0.23 -0.12 0.04 0.00 -0.49 0.00 0.00 175.26 174.91 1k72 n GLN 245 N 3.25 0.00 -1.17 1.61 10.64 -1.26 -1.82 117.38 128.63 1k72 n GLN 245 Ca 0.06 0.04 -0.27 0.00 -1.83 0.00 0.00 57.00 54.99 1k72 n GLN 245 Cb 0.46 -0.06 0.06 0.00 -0.86 0.00 0.00 30.24 29.84 1k72 n GLN 245 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.06 175.23 1k72 n GLN 246 N -0.94 2.32 -3.63 2.61 0.00 -1.26 -4.92 117.38 111.56 1k72 n GLN 246 Ca 0.00 -2.57 -0.12 0.00 0.00 0.00 0.00 57.00 54.31 1k72 n GLN 246 Cb 0.00 -2.01 -0.02 0.00 0.00 0.00 0.00 30.24 28.21 1k72 n GLN 246 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.06 177.31 1k72 n THR 247 N -0.35 0.00 -1.54 -0.39 -2.24 -0.76 -5.04 114.28 103.96 1k72 n THR 247 Ca 0.49 -1.41 0.02 0.00 -2.27 0.00 0.00 64.05 60.88 1k72 n THR 247 Cb 0.61 0.94 0.21 0.00 -2.10 0.00 0.00 70.33 69.99 1k72 n THR 247 CO 0.00 0.00 0.00 -0.90 -0.57 0.00 0.00 175.07 173.60 1k72 n ASP 248 N -1.63 2.00 -4.88 3.42 5.68 -1.26 -4.56 116.55 115.32 1k72 n ASP 248 Ca -0.01 -3.86 -0.36 0.00 -0.50 0.00 0.00 54.79 50.05 1k72 n ASP 248 Cb 0.52 -0.57 -0.06 0.00 -1.14 0.00 0.00 41.12 39.87 1k72 n ASP 248 CO 0.00 0.00 0.00 -0.63 -1.33 0.00 0.00 177.20 175.24 1k72 s ILE 249 N -3.24 5.44 0.31 2.12 1.01 -1.26 -4.98 121.20 120.59 1k72 s ILE 249 Ca 0.41 0.22 -0.29 0.00 0.00 0.00 0.00 60.65 60.98 1k72 s ILE 249 Cb 0.38 -3.46 -0.12 0.00 0.01 0.00 0.00 42.46 39.27 1k72 s ILE 249 CO -0.04 0.56 1.45 -0.38 0.00 0.00 0.00 174.94 176.52 1k72 n ILE 250 N 1.77 1.47 -1.59 2.92 5.41 -1.26 -0.61 119.36 127.46 1k72 n ILE 250 Ca -0.18 -0.37 -0.44 0.00 1.00 0.00 0.00 62.75 62.77 1k72 n ILE 250 Cb 0.54 -1.74 -0.01 0.00 -0.71 0.00 0.00 39.64 37.72 1k72 n ILE 250 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 1k72 n ALA 251 N 1.25 -0.13 -1.11 -1.39 0.00 -0.23 -4.45 120.51 114.45 1k72 n ALA 251 Ca 0.07 0.35 0.00 0.00 0.00 0.00 0.00 53.44 53.86 1k72 n ALA 251 Cb 0.36 -2.03 0.00 0.00 0.00 0.00 0.00 19.45 17.78 1k72 n ALA 251 CO 0.00 0.00 0.00 2.48 0.00 0.00 0.00 177.50 179.98 1k72 n TYR 252 N 0.05 0.00 0.73 0.00 4.11 -1.26 -4.90 117.16 115.89 1k72 n TYR 252 Ca 0.09 0.00 0.09 0.00 -0.00 0.00 0.00 57.90 58.09 1k72 n TYR 252 Cb 0.34 0.01 0.27 0.00 -0.00 0.00 0.00 39.34 39.96 1k72 n TYR 252 CO 0.00 0.00 0.00 1.63 -0.00 0.00 0.00 176.86 178.49 1k72 n LYS 253 N 0.00 2.04 0.00 -3.48 5.02 -1.26 -4.31 118.16 116.17 1k72 n LYS 253 Ca 0.00 -1.59 0.00 0.00 -2.02 0.00 0.00 58.31 54.70 1k72 n LYS 253 Cb 0.23 -1.40 0.00 0.00 -0.02 0.00 0.00 35.03 33.83 1k72 n LYS 253 CO 0.00 0.00 0.00 1.87 -0.52 0.00 0.00 177.40 178.75 1k72 n TRP 254 N 0.79 0.00 -3.73 2.13 -0.00 -1.26 -5.03 117.44 110.35 1k72 n TRP 254 Ca 0.17 0.00 -0.09 0.00 -0.00 0.00 0.00 57.50 57.58 1k72 n TRP 254 Cb 0.41 0.00 -0.02 0.00 -0.00 0.00 0.00 31.31 31.70 1k72 n TRP 254 CO 0.00 0.00 0.00 0.20 -0.00 0.00 0.00 177.69 177.89 1k72 s GLY 255 N 0.00 -0.20 0.40 5.87 0.00 -1.26 -5.03 107.32 107.09 1k72 s GLY 255 Ca 0.00 -0.11 -0.26 0.00 0.00 0.00 0.00 44.72 44.35 1k72 s GLY 255 CO 0.00 -0.08 1.29 -0.18 0.00 0.00 0.00 173.10 174.13 1k72 n GLN 256 N -0.41 2.03 0.19 2.90 -0.06 -1.26 -4.80 117.38 115.96 1k72 n GLN 256 Ca -0.08 0.72 0.04 0.00 -2.00 0.00 0.00 57.00 55.67 1k72 n GLN 256 Cb 0.61 -2.38 0.39 0.00 -4.06 0.00 0.00 30.24 24.80 1k72 n GLN 256 CO 0.00 0.00 0.00 0.11 -0.20 0.00 0.00 177.06 176.97 1k72 h TRP 258 N 2.26 0.00 0.00 3.69 5.08 -1.94 -3.46 115.95 121.58 1k72 h TRP 258 Ca -0.47 0.00 0.00 0.00 1.08 0.00 0.00 58.89 59.50 1k72 h TRP 258 Cb 1.29 0.00 0.00 0.00 -3.00 0.00 0.00 29.16 27.45 1k72 h TRP 258 CO 0.49 0.35 -1.06 -3.47 -1.28 0.00 0.00 178.44 173.47 1k72 n ASP 259 N -3.93 0.70 -3.49 0.11 2.03 -1.26 -4.78 116.55 105.94 1k72 n ASP 259 Ca -0.02 0.18 -0.24 0.00 0.52 0.00 0.00 54.79 55.24 1k72 n ASP 259 Cb 0.41 0.62 -0.13 0.00 -0.72 0.00 0.00 41.12 41.31 1k72 n ASP 259 CO 0.00 0.00 0.00 -0.62 -1.92 0.00 0.00 177.20 174.66 1k72 s ASP 260 N -4.90 2.69 -0.06 1.67 3.68 -1.26 -4.49 116.67 114.00 1k72 s ASP 260 Ca 0.00 -1.01 0.17 0.00 2.13 0.00 0.00 52.55 53.84 1k72 s ASP 260 Cb 0.11 0.01 0.57 0.00 -1.45 0.00 0.00 42.92 42.17 1k72 s ASP 260 CO 0.80 -0.41 1.49 1.33 0.13 0.00 0.00 175.17 178.50 1k72 n VAL 261 N 5.28 1.45 0.27 1.11 0.24 -1.26 -4.29 118.33 121.13 1k72 n VAL 261 Ca -0.05 -1.17 0.15 0.00 -2.04 0.00 0.00 64.34 61.24 1k72 n VAL 261 Cb 0.44 0.28 0.74 0.00 -1.47 0.00 0.00 33.84 33.83 1k72 n VAL 261 CO 0.00 0.00 0.00 1.12 -2.14 0.00 0.00 176.83 175.81 1k72 h HIS 262 N 3.35 0.00 -0.02 6.34 2.07 -1.94 -1.78 115.15 123.17 1k72 h HIS 262 Ca 0.00 0.00 -0.00 0.00 -2.85 0.00 0.00 60.37 57.52 1k72 h HIS 262 Cb 1.15 0.00 -0.00 0.00 2.57 0.00 0.00 27.41 31.13 1k72 h HIS 262 CO 0.53 0.08 -0.00 1.88 -3.07 0.00 0.00 177.93 177.35 1k72 h TYR 263 N 0.00 0.04 -0.66 6.12 -1.99 -1.93 0.16 116.97 118.70 1k72 h TYR 263 Ca -0.00 -0.01 -0.07 0.00 2.00 0.00 0.00 58.73 60.65 1k72 h TYR 263 Cb 0.42 -0.01 -0.03 0.00 2.00 0.00 0.00 36.73 39.11 1k72 h TYR 263 CO 0.00 0.33 0.14 0.78 -0.00 0.00 0.00 178.16 179.41 1k72 h GLY 264 N -0.27 1.16 0.94 3.88 0.00 -1.83 -1.97 103.07 104.97 1k72 h GLY 264 Ca 0.01 -0.74 -0.01 0.00 0.00 0.00 0.00 47.33 46.58 1k72 h GLY 264 CO 0.00 0.69 0.16 0.00 0.00 0.00 0.00 176.54 177.39 1k72 h ALA 265 N 1.06 0.43 -0.00 3.60 0.00 -1.23 -1.53 119.26 121.58 1k72 h ALA 265 Ca 0.21 -0.10 -0.10 0.00 0.00 0.00 0.00 54.91 54.92 1k72 h ALA 265 Cb 0.40 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 18.04 1k72 h ALA 265 CO 0.01 -0.01 -0.46 1.05 0.00 0.00 0.00 179.25 179.84 1k72 h GLU 266 N 0.40 0.01 -0.13 0.00 4.11 -0.87 0.61 114.58 118.71 1k72 h GLU 266 Ca 0.11 -0.00 -0.03 0.00 0.07 0.00 0.00 59.36 59.51 1k72 h GLU 266 Cb 0.12 -0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.37 1k72 h GLU 266 CO -0.01 0.46 -0.05 1.25 0.07 0.00 0.00 179.01 180.73 1k72 h LEU 267 N 0.01 0.26 -0.83 3.06 5.85 -1.19 -0.74 115.31 121.74 1k72 h LEU 267 Ca -0.00 -0.40 -0.09 0.00 0.84 0.00 0.00 57.88 58.23 1k72 h LEU 267 Cb 0.81 -0.07 -0.02 0.00 0.37 0.00 0.00 40.66 41.75 1k72 h LEU 267 CO 0.06 0.60 -0.06 -0.07 -0.34 0.00 0.00 178.44 178.64 1k72 h LEU 268 N -0.07 0.80 -1.32 2.25 3.38 -1.08 -2.53 115.31 116.72 1k72 h LEU 268 Ca 0.03 -0.22 -0.05 0.00 0.09 0.00 0.00 57.88 57.73 1k72 h LEU 268 Cb 0.50 -0.21 -0.01 0.00 0.09 0.00 0.00 40.66 41.02 1k72 h LEU 268 CO 0.02 0.90 -0.13 -0.07 0.09 0.00 0.00 178.44 179.24 1k72 h LEU 269 N 0.75 0.28 -0.45 1.67 3.38 -0.74 -0.31 115.31 119.89 1k72 h LEU 269 Ca 0.13 -0.06 -0.07 0.00 0.09 0.00 0.00 57.88 57.98 1k72 h LEU 269 Cb 0.53 -0.07 -0.02 0.00 0.09 0.00 0.00 40.66 41.19 1k72 h LEU 269 CO 0.03 0.44 0.02 0.00 0.09 0.00 0.00 178.44 179.02 1k72 h ALA 270 N 1.59 0.60 -0.15 1.53 0.00 -0.75 -1.04 119.26 121.05 1k72 h ALA 270 Ca 0.06 -0.26 -0.12 0.00 0.00 0.00 0.00 54.91 54.58 1k72 h ALA 270 Cb 0.41 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 18.02 1k72 h ALA 270 CO 0.02 0.38 -0.43 0.87 0.00 0.00 0.00 179.25 180.09 1k72 h LYS 271 N 0.62 0.35 0.00 0.00 1.57 -1.03 0.21 116.57 118.29 1k72 h LYS 271 Ca 0.13 -0.18 -0.04 0.00 -1.87 0.00 0.00 60.65 58.69 1k72 h LYS 271 Cb 0.47 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.78 1k72 h LYS 271 CO 0.02 0.72 -0.62 -0.07 -0.57 0.00 0.00 179.45 178.93 1k72 h LEU 272 N 0.29 0.00 0.00 2.94 3.38 -0.98 -3.40 115.31 117.54 1k72 h LEU 272 Ca 0.02 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.99 1k72 h LEU 272 Cb 0.88 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.63 1k72 h LEU 272 CO 0.07 0.15 -0.89 0.35 0.09 0.00 0.00 178.44 178.22 1k72 n THR 273 N -2.94 0.00 -1.48 0.22 -2.24 -0.40 -5.02 114.28 102.42 1k72 n THR 273 Ca 0.00 0.00 -0.16 0.00 -2.27 0.00 0.00 64.05 61.62 1k72 n THR 273 Cb 0.61 0.08 -0.07 0.00 -2.10 0.00 0.00 70.33 68.84 1k72 n THR 273 CO 0.00 0.00 0.00 -3.20 -0.57 0.00 0.00 175.07 171.30 1k72 n ASN 274 N -1.47 -5.24 -4.73 3.42 5.15 0.72 -4.96 115.26 108.15 1k72 n ASN 274 Ca 0.00 0.41 -0.41 0.00 -0.60 0.00 0.00 54.58 53.97 1k72 n ASN 274 Cb 0.12 -4.19 -0.03 0.00 -0.53 0.00 0.00 39.78 35.15 1k72 n ASN 274 CO 0.00 0.00 0.00 -0.54 1.40 0.00 0.00 177.26 178.12 1k72 s LYS 275 N -3.37 4.48 0.33 1.20 1.02 -1.26 -4.93 119.74 117.22 1k72 s LYS 275 Ca 0.00 1.83 0.07 0.00 0.02 0.00 0.00 55.97 57.90 1k72 s LYS 275 Cb 0.00 -3.28 0.76 0.00 -0.52 0.00 0.00 37.83 34.80 1k72 s LYS 275 CO 0.00 -0.13 1.84 0.37 -0.92 0.00 0.00 175.35 176.51 1k72 h GLN 276 N 5.74 0.73 -0.59 1.68 5.75 -1.96 -2.31 115.11 124.15 1k72 h GLN 276 Ca -0.44 -0.04 0.11 0.00 -0.15 0.00 0.00 58.65 58.13 1k72 h GLN 276 Cb 1.21 -0.16 -0.09 0.00 1.07 0.00 0.00 27.48 29.51 1k72 h GLN 276 CO 0.77 0.48 0.11 1.25 -2.65 0.00 0.00 178.83 178.79 1k72 h LEU 277 N 0.75 -0.03 -0.13 -2.39 5.85 -1.99 0.15 115.31 117.52 1k72 h LEU 277 Ca 0.49 0.11 -0.21 0.00 0.84 0.00 0.00 57.88 59.11 1k72 h LEU 277 Cb 0.74 0.16 0.01 0.00 0.37 0.00 0.00 40.66 41.94 1k72 h LEU 277 CO -0.25 -0.00 -0.74 1.88 -0.34 0.00 0.00 178.44 178.99 1k72 h TYR 278 N 0.24 1.00 -0.23 1.25 0.05 -1.74 -1.62 116.97 115.92 1k72 h TYR 278 Ca 0.31 -0.45 0.02 0.00 0.05 0.00 0.00 58.73 58.66 1k72 h TYR 278 Cb 0.46 -0.15 -0.02 0.00 1.01 0.00 0.00 36.73 38.02 1k72 h TYR 278 CO -0.26 1.28 0.08 0.87 -1.05 0.00 0.00 178.16 179.08 1k72 h LYS 279 N 0.45 0.18 -0.23 4.88 1.57 -1.20 -0.92 116.57 121.29 1k72 h LYS 279 Ca -0.06 -0.01 0.02 0.00 -1.87 0.00 0.00 60.65 58.73 1k72 h LYS 279 Cb 1.38 -0.04 -0.02 0.00 0.08 0.00 0.00 32.23 33.63 1k72 h LYS 279 CO 0.15 0.12 0.09 -0.44 -0.57 0.00 0.00 179.45 178.81 1k72 h ASP 280 N 0.19 0.12 0.23 0.86 3.32 -0.69 -1.40 116.42 119.05 1k72 h ASP 280 Ca 0.10 0.02 -0.00 0.00 0.02 0.00 0.00 57.03 57.17 1k72 h ASP 280 Cb 0.07 -0.00 -0.01 0.00 0.22 0.00 0.00 39.33 39.61 1k72 h ASP 280 CO -0.10 0.10 -0.18 0.28 -1.72 0.00 0.00 179.24 177.62 1k72 h SER 281 N 0.21 -0.45 -0.07 6.45 0.02 -0.85 -0.56 113.55 118.30 1k72 h SER 281 Ca 0.10 0.04 -0.09 0.00 -0.84 0.00 0.00 61.79 61.00 1k72 h SER 281 Cb 0.05 0.15 -0.01 0.00 0.14 0.00 0.00 62.40 62.73 1k72 h SER 281 CO -0.09 -0.27 -0.21 -0.29 -1.14 0.00 0.00 176.83 174.82 1k72 h ILE 282 N -0.41 1.25 0.00 3.27 6.09 -1.15 -2.44 117.51 124.12 1k72 h ILE 282 Ca -0.01 -1.18 -0.11 0.00 -1.37 0.00 0.00 64.86 62.19 1k72 h ILE 282 Cb 0.37 1.29 -0.02 0.00 0.47 0.00 0.00 36.82 38.93 1k72 h ILE 282 CO -0.01 0.38 -0.53 -0.33 -3.07 0.00 0.00 178.15 174.59 1k72 h GLU 283 N 0.42 0.00 -0.52 2.19 5.08 -1.09 -0.36 114.58 120.29 1k72 h GLU 283 Ca 0.07 0.00 -0.09 0.00 -1.00 0.00 0.00 59.36 58.33 1k72 h GLU 283 Cb 0.61 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.84 1k72 h GLU 283 CO 0.04 0.53 -0.04 1.98 -1.00 0.00 0.00 179.01 180.52 1k72 h MET 284 N 0.00 0.95 0.04 2.33 4.05 -0.74 0.30 114.93 121.86 1k72 h MET 284 Ca -0.01 -0.32 -0.00 0.00 -0.28 0.00 0.00 59.70 59.09 1k72 h MET 284 Cb 0.95 -0.08 0.00 0.00 -0.80 0.00 0.00 31.60 31.67 1k72 h MET 284 CO 0.07 0.98 -0.02 -0.97 0.23 0.00 0.00 176.91 177.20 1k72 h ASN 285 N 0.82 -0.05 -0.36 1.39 -0.00 -1.04 -0.34 115.58 115.99 1k72 h ASN 285 Ca 0.14 -0.31 -0.05 0.00 -0.00 0.00 0.00 56.30 56.08 1k72 h ASN 285 Cb 0.58 0.01 -0.02 0.00 -0.00 0.00 0.00 38.32 38.89 1k72 h ASN 285 CO 0.03 0.29 0.06 -0.07 -0.00 0.00 0.00 177.43 177.74 1k72 h LEU 286 N -0.39 0.64 -0.51 0.34 3.38 -0.99 -1.99 115.31 115.78 1k72 h LEU 286 Ca -0.01 -0.12 -0.09 0.00 0.09 0.00 0.00 57.88 57.76 1k72 h LEU 286 Cb 0.36 -0.17 -0.02 0.00 0.09 0.00 0.00 40.66 40.92 1k72 h LEU 286 CO 0.01 0.67 -0.02 0.44 0.09 0.00 0.00 178.44 179.63 1k72 h ASP 287 N 0.66 0.91 -0.66 -0.43 3.45 -0.31 -1.64 116.42 118.39 1k72 h ASP 287 Ca 0.14 -0.32 0.04 0.00 0.43 0.00 0.00 57.03 57.33 1k72 h ASP 287 Cb 0.32 -0.25 -0.04 0.00 -0.56 0.00 0.00 39.33 38.80 1k72 h ASP 287 CO 0.00 1.01 0.44 0.15 -1.57 0.00 0.00 179.24 179.27 1k72 h PHE 288 N 0.79 0.73 0.00 4.55 3.04 -0.50 0.77 116.94 126.32 1k72 h PHE 288 Ca 0.14 0.02 0.00 0.00 3.98 0.00 0.00 57.97 62.11 1k72 h PHE 288 Cb 0.56 -0.24 0.00 0.00 2.56 0.00 0.00 35.95 38.82 1k72 h PHE 288 CO 0.04 0.41 -0.14 0.91 -2.02 0.00 0.00 178.31 177.51 1k72 n TRP 289 N -4.47 0.31 0.00 0.41 7.02 -0.80 -1.15 117.44 118.77 1k72 n TRP 289 Ca 0.09 0.09 0.00 0.00 -1.02 0.00 0.00 57.50 56.66 1k72 n TRP 289 Cb 0.17 -0.60 0.00 0.00 -2.42 0.00 0.00 31.31 28.46 1k72 n TRP 289 CO 0.00 0.00 0.00 0.25 -2.02 0.00 0.00 177.69 175.92 1k72 n THR 290 N -1.77 0.00 0.44 -0.99 -2.24 -0.66 -4.85 114.28 104.22 1k72 n THR 290 Ca 0.06 0.00 0.12 0.00 -2.27 0.00 0.00 64.05 61.96 1k72 n THR 290 Cb 0.37 -0.27 0.22 0.00 -2.10 0.00 0.00 70.33 68.55 1k72 n THR 290 CO 0.00 0.00 0.00 0.71 -0.57 0.00 0.00 175.07 175.21 1k72 h THR 291 N 0.00 0.00 0.00 4.28 1.35 -1.73 -3.49 112.91 113.32 1k72 h THR 291 Ca 0.00 -0.68 0.00 0.00 -0.55 0.00 0.00 66.41 65.18 1k72 h THR 291 Cb 0.00 1.47 0.00 0.00 -1.73 0.00 0.00 68.15 67.89 1k72 h THR 291 CO 0.00 0.00 0.00 0.61 -0.25 0.00 0.00 175.52 175.88 1k72 n GLY 292 N 1.25 0.98 2.89 5.82 0.00 0.26 -4.99 105.19 111.40 1k72 n GLY 292 Ca 0.04 -1.76 -0.15 0.00 0.00 0.00 0.00 46.02 44.14 1k72 n GLY 292 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1k72 s VAL 293 N -2.93 -0.38 -1.06 1.61 0.11 0.14 -4.57 120.40 113.30 1k72 s VAL 293 Ca 0.00 0.10 -0.01 0.00 -2.93 0.00 0.00 61.98 59.15 1k72 s VAL 293 Cb 0.00 -0.55 -0.01 0.00 -1.53 0.00 0.00 36.38 34.29 1k72 s VAL 293 CO 0.00 -0.02 0.89 0.59 -3.33 0.00 0.00 175.10 173.23 1k72 n ASN 294 N 5.34 -2.50 -0.63 3.54 3.02 -1.26 -2.85 115.26 119.92 1k72 n ASN 294 Ca -0.05 -0.57 -0.08 0.00 -0.03 0.00 0.00 54.58 53.85 1k72 n ASN 294 Cb 0.50 -4.68 -0.04 0.00 -0.61 0.00 0.00 39.78 34.96 1k72 n ASN 294 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1k72 n GLY 295 N -1.13 1.01 2.87 7.41 0.00 -1.26 -5.02 105.19 109.06 1k72 n GLY 295 Ca -0.24 -0.60 -0.17 0.00 0.00 0.00 0.00 46.02 45.01 1k72 n GLY 295 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1k72 s THR 296 N -2.28 0.31 -0.07 2.61 -4.23 -1.13 -5.15 115.64 105.70 1k72 s THR 296 Ca 0.00 -0.03 -0.17 0.00 -1.18 0.00 0.00 61.69 60.31 1k72 s THR 296 Cb 0.00 -0.35 0.04 0.00 1.34 0.00 0.00 72.50 73.52 1k72 s THR 296 CO 0.00 0.15 0.40 -0.60 -0.54 0.00 0.00 174.62 174.03 1k72 s ARG 297 N 0.72 0.66 0.58 3.99 3.52 -1.26 0.24 118.95 127.40 1k72 s ARG 297 Ca -0.08 0.13 -0.20 0.00 -0.13 0.00 0.00 55.73 55.45 1k72 s ARG 297 Cb -0.11 0.30 -0.04 0.00 -1.56 0.00 0.00 34.95 33.55 1k72 s ARG 297 CO -0.01 -0.16 1.29 0.54 -0.81 0.00 0.00 175.30 176.15 1k72 s VAL 298 N -0.78 2.27 0.51 7.11 0.11 -0.30 -4.95 120.40 124.37 1k72 s VAL 298 Ca -0.09 0.18 -0.22 0.00 -2.93 0.00 0.00 61.98 58.93 1k72 s VAL 298 Cb -0.04 -3.08 -0.06 0.00 -1.53 0.00 0.00 36.38 31.67 1k72 s VAL 298 CO 0.04 -0.02 1.24 -0.55 -3.33 0.00 0.00 175.10 172.48 1k72 s SER 299 N -1.25 5.71 -0.04 3.54 0.15 -1.25 -4.86 113.70 115.70 1k72 s SER 299 Ca 0.75 2.49 0.05 0.00 0.70 0.00 0.00 55.95 59.95 1k72 s SER 299 Cb -0.36 -2.61 -0.01 0.00 -1.71 0.00 0.00 66.02 61.32 1k72 s SER 299 CO 0.41 -1.25 -0.19 -0.31 1.20 0.00 0.00 173.24 173.10 1k72 s TYR 300 N -1.46 1.82 0.72 3.44 1.51 -1.26 -0.29 117.35 121.83 1k72 s TYR 300 Ca 0.68 -0.47 -0.11 0.00 -1.01 0.00 0.00 57.07 56.16 1k72 s TYR 300 Cb -0.33 -1.20 0.02 0.00 -0.11 0.00 0.00 41.96 40.34 1k72 s TYR 300 CO 0.39 -0.13 1.07 0.95 -1.11 0.00 0.00 175.55 176.72 1k72 s THR 301 N -0.14 3.77 0.54 -0.71 -4.23 -0.17 -4.93 115.64 109.77 1k72 s THR 301 Ca -0.00 0.58 0.22 0.00 -1.18 0.00 0.00 61.69 61.31 1k72 s THR 301 Cb -0.11 -3.32 0.34 0.00 1.34 0.00 0.00 72.50 70.75 1k72 s THR 301 CO 0.01 -0.75 2.10 -0.65 -0.54 0.00 0.00 174.62 174.79 1k72 h PRO 302 N -0.82 0.00 -0.43 3.99 0.11 -1.89 -1.62 132.00 131.34 1k72 h PRO 302 Ca -0.45 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.66 1k72 h PRO 302 Cb 1.23 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.34 1k72 h PRO 302 CO 0.57 0.00 0.00 1.63 -0.21 0.00 0.00 178.00 179.99 1k72 n LYS 303 N -4.30 2.03 0.00 1.05 5.02 -1.26 -4.93 118.16 115.76 1k72 n LYS 303 Ca 0.02 -1.44 0.00 0.00 -2.02 0.00 0.00 58.31 54.87 1k72 n LYS 303 Cb 0.31 -1.37 0.00 0.00 -0.02 0.00 0.00 35.03 33.95 1k72 n LYS 303 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1k72 n GLY 304 N 1.04 0.48 3.69 0.72 0.00 -0.61 -4.93 105.19 105.59 1k72 n GLY 304 Ca 0.13 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.73 1k72 n GLY 304 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 1k72 s LEU 305 N 0.00 4.29 -0.35 0.99 2.96 -1.26 -4.82 118.68 120.49 1k72 s LEU 305 Ca 0.00 1.56 -0.29 0.00 -0.22 0.00 0.00 54.13 55.18 1k72 s LEU 305 Cb 0.00 -3.55 0.01 0.00 0.50 0.00 0.00 46.19 43.15 1k72 s LEU 305 CO 0.00 -0.38 1.28 0.00 -1.32 0.00 0.00 176.35 175.93 1k72 s ALA 306 N 1.68 3.28 -0.35 5.97 0.00 -1.26 -1.00 121.76 130.08 1k72 s ALA 306 Ca 0.49 -0.04 -0.08 0.00 0.00 0.00 0.00 51.96 52.33 1k72 s ALA 306 Cb -0.19 -3.82 0.04 0.00 0.00 0.00 0.00 23.12 19.15 1k72 s ALA 306 CO 0.21 -1.94 0.14 -0.46 0.00 0.00 0.00 175.76 173.71 1k72 s TRP 307 N 4.54 3.26 -0.13 0.00 -0.00 0.61 -4.46 118.94 122.75 1k72 s TRP 307 Ca 0.55 -1.30 -0.09 0.00 -0.00 0.00 0.00 56.10 55.26 1k72 s TRP 307 Cb -0.14 -2.35 -0.25 0.00 -0.00 0.00 0.00 33.47 30.72 1k72 s TRP 307 CO 0.25 -0.71 0.35 -0.11 -0.00 0.00 0.00 176.95 176.73 1k72 n LEU 308 N 4.87 2.52 -3.53 5.86 7.94 -1.26 -3.79 117.00 129.61 1k72 n LEU 308 Ca -0.12 0.25 -0.11 0.00 -1.11 0.00 0.00 56.01 54.92 1k72 n LEU 308 Cb 0.45 -1.10 -0.03 0.00 0.53 0.00 0.00 43.42 43.27 1k72 n LEU 308 CO 0.33 0.77 0.35 0.12 -1.11 0.00 0.00 177.39 177.85 1k72 s PHE 309 N -2.53 -0.40 0.20 1.96 5.36 -1.26 -5.00 117.98 116.30 1k72 s PHE 309 Ca -0.23 0.14 -0.11 0.00 -0.96 0.00 0.00 56.93 55.76 1k72 s PHE 309 Cb 0.06 0.50 0.22 0.00 -0.34 0.00 0.00 43.02 43.46 1k72 s PHE 309 CO 0.75 -0.86 1.75 0.37 -1.46 0.00 0.00 175.22 175.77 1k72 h GLN 310 N 2.09 0.39 -5.97 10.12 4.15 -1.96 -3.34 115.11 120.59 1k72 h GLN 310 Ca -0.32 -0.02 -0.57 0.00 0.77 0.00 0.00 58.65 58.51 1k72 h GLN 310 Cb 1.29 -0.09 -0.06 0.00 0.21 0.00 0.00 27.48 28.83 1k72 h GLN 310 CO 0.38 0.26 -0.00 -1.58 -1.93 0.00 0.00 178.83 175.96 1k72 s TRP 311 N -6.11 3.59 -1.35 3.99 0.52 -1.26 -4.42 118.94 113.90 1k72 s TRP 311 Ca -0.13 1.14 -0.02 0.00 0.02 0.00 0.00 56.10 57.10 1k72 s TRP 311 Cb 0.16 -2.68 0.01 0.00 -1.15 0.00 0.00 33.47 29.82 1k72 s TRP 311 CO 0.74 0.19 0.73 0.41 0.02 0.00 0.00 176.95 179.04 1k72 n GLY 312 N 2.95 -0.32 0.33 0.98 0.00 -1.26 -4.87 105.19 103.00 1k72 n GLY 312 Ca -0.05 0.14 -0.00 0.00 0.00 0.00 0.00 46.02 46.11 1k72 n GLY 312 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 1k72 h SER 313 N -1.91 0.90 -0.22 1.61 4.64 -1.56 -0.13 113.55 116.88 1k72 h SER 313 Ca -0.61 0.00 -0.15 0.00 -0.47 0.00 0.00 61.79 60.57 1k72 h SER 313 Cb 1.36 -0.19 -0.01 0.00 -0.31 0.00 0.00 62.40 63.25 1k72 h SER 313 CO 0.59 0.60 -0.38 -0.07 -0.87 0.00 0.00 176.83 176.69 1k72 h LEU 314 N 1.04 0.81 -0.17 5.97 3.38 -1.49 -1.51 115.31 123.33 1k72 h LEU 314 Ca 0.36 -0.36 0.03 0.00 0.09 0.00 0.00 57.88 58.00 1k72 h LEU 314 Cb 0.08 -0.23 -0.03 0.00 0.09 0.00 0.00 40.66 40.57 1k72 h LEU 314 CO -0.14 1.10 -0.04 -0.09 0.09 0.00 0.00 178.44 179.36 1k72 h ARG 315 N 0.63 0.00 -0.33 1.13 1.12 -1.54 -0.40 114.38 114.99 1k72 h ARG 315 Ca 0.05 -0.00 -0.05 0.00 -1.11 0.00 0.00 59.98 58.87 1k72 h ARG 315 Cb 0.93 -0.00 -0.01 0.00 -0.01 0.00 0.00 29.97 30.88 1k72 h ARG 315 CO 0.09 0.00 0.02 0.45 -3.11 0.00 0.00 179.97 177.41 1k72 h HIS 316 N 0.00 0.63 -0.21 2.20 3.86 -0.90 -2.21 115.15 118.52 1k72 h HIS 316 Ca 0.08 -0.10 -0.01 0.00 -1.16 0.00 0.00 60.37 59.18 1k72 h HIS 316 Cb 0.12 -0.17 -0.01 0.00 1.06 0.00 0.00 27.41 28.42 1k72 h HIS 316 CO -0.20 0.68 0.09 0.00 0.86 0.00 0.00 177.93 179.36 1k72 h ALA 317 N 0.87 0.28 0.00 2.45 0.00 -1.10 -1.68 119.26 120.08 1k72 h ALA 317 Ca 0.10 -0.11 -0.08 0.00 0.00 0.00 0.00 54.91 54.82 1k72 h ALA 317 Cb 0.42 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 18.11 1k72 h ALA 317 CO 0.01 -0.13 -0.38 1.79 0.00 0.00 0.00 179.25 180.54 1k72 h THR 318 N 0.20 1.04 -0.19 0.00 1.35 -1.12 -0.79 112.91 113.40 1k72 h THR 318 Ca 0.07 -1.41 -0.13 0.00 -0.55 0.00 0.00 66.41 64.39 1k72 h THR 318 Cb 0.17 1.81 0.00 0.00 -1.73 0.00 0.00 68.15 68.40 1k72 h THR 318 CO -0.01 0.37 -0.39 0.74 -0.25 0.00 0.00 175.52 175.98 1k72 h THR 319 N 0.00 1.33 -0.29 6.82 2.02 -1.22 -2.28 112.91 119.29 1k72 h THR 319 Ca -0.00 -1.63 -0.05 0.00 0.77 0.00 0.00 66.41 65.50 1k72 h THR 319 Cb 0.78 1.89 -0.02 0.00 -1.74 0.00 0.00 68.15 69.07 1k72 h THR 319 CO 0.05 0.50 -0.04 1.56 0.37 0.00 0.00 175.52 177.96 1k72 h GLN 320 N 0.27 0.46 -0.72 6.66 1.08 -1.04 -2.10 115.11 119.72 1k72 h GLN 320 Ca 0.00 -0.10 0.01 0.00 -1.45 0.00 0.00 58.65 57.12 1k72 h GLN 320 Cb 1.00 -0.07 -0.04 0.00 -0.05 0.00 0.00 27.48 28.32 1k72 h GLN 320 CO 0.09 0.52 0.47 0.00 -0.95 0.00 0.00 178.83 178.96 1k72 h ALA 321 N 1.52 0.92 0.12 3.87 0.00 -0.98 -0.25 119.26 124.47 1k72 h ALA 321 Ca 0.09 -0.04 -0.01 0.00 0.00 0.00 0.00 54.91 54.95 1k72 h ALA 321 Cb 0.35 -0.28 0.00 0.00 0.00 0.00 0.00 17.79 17.87 1k72 h ALA 321 CO 0.01 0.31 -0.06 0.35 0.00 0.00 0.00 179.25 179.87 1k72 h PHE 322 N 0.95 -0.15 -0.76 0.00 3.57 -0.81 -0.47 116.94 119.28 1k72 h PHE 322 Ca 0.27 -0.00 0.01 0.00 3.53 0.00 0.00 57.97 61.78 1k72 h PHE 322 Cb -0.08 0.05 -0.04 0.00 2.79 0.00 0.00 35.95 38.67 1k72 h PHE 322 CO -0.03 -0.07 0.50 -0.07 -2.23 0.00 0.00 178.31 176.41 1k72 h LEU 323 N -0.19 0.86 -0.63 0.59 4.07 -1.13 -1.27 115.31 117.60 1k72 h LEU 323 Ca -0.02 -0.02 0.01 0.00 0.08 0.00 0.00 57.88 57.94 1k72 h LEU 323 Cb 0.15 -0.21 -0.03 0.00 1.08 0.00 0.00 40.66 41.65 1k72 h LEU 323 CO 0.03 0.61 0.41 0.00 -1.08 0.00 0.00 178.44 178.41 1k72 h ALA 324 N 1.29 0.80 -0.41 1.53 0.00 -0.84 -0.72 119.26 120.91 1k72 h ALA 324 Ca 0.28 -0.03 -0.02 0.00 0.00 0.00 0.00 54.91 55.14 1k72 h ALA 324 Cb -0.09 -0.23 -0.02 0.00 0.00 0.00 0.00 17.79 17.45 1k72 h ALA 324 CO -0.07 0.19 0.17 0.78 0.00 0.00 0.00 179.25 180.32 1k72 h GLY 325 N 0.82 0.65 0.82 0.00 0.00 -0.40 -0.09 103.07 104.87 1k72 h GLY 325 Ca 0.24 -0.35 -0.00 0.00 0.00 0.00 0.00 47.33 47.22 1k72 h GLY 325 CO -0.07 0.33 0.01 -2.08 0.00 0.00 0.00 176.54 174.72 1k72 h VAL 326 N 0.52 1.15 -0.61 4.60 2.07 -1.09 -3.17 116.25 119.73 1k72 h VAL 326 Ca 0.14 -0.45 -0.05 0.00 0.82 0.00 0.00 66.70 67.16 1k72 h VAL 326 Cb 0.17 1.43 -0.03 0.00 -1.52 0.00 0.00 31.29 31.35 1k72 h VAL 326 CO -0.01 0.12 0.18 0.22 0.02 0.00 0.00 177.57 178.10 1k72 h TYR 327 N -0.16 0.94 0.00 1.57 5.03 -1.02 -2.69 116.97 120.64 1k72 h TYR 327 Ca 0.01 -0.08 -0.01 0.00 2.58 0.00 0.00 58.73 61.23 1k72 h TYR 327 Cb 0.19 -0.28 -0.00 0.00 1.55 0.00 0.00 36.73 38.19 1k72 h TYR 327 CO -0.01 0.76 -0.04 0.00 -1.32 0.00 0.00 178.16 177.55 1k72 h ALA 328 N 1.31 1.75 0.00 1.82 0.00 -1.01 -2.05 119.26 121.07 1k72 h ALA 328 Ca 0.20 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 55.07 1k72 h ALA 328 Cb 0.27 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.05 1k72 h ALA 328 CO -0.01 0.05 -0.30 0.39 0.00 0.00 0.00 179.25 179.38 1k72 n GLU 329 N -4.22 0.10 -2.66 0.00 1.02 -1.02 -4.86 120.64 109.01 1k72 n GLU 329 Ca -0.03 0.05 -0.41 0.00 -0.02 0.00 0.00 57.16 56.75 1k72 n GLU 329 Cb 0.12 -1.59 -0.04 0.00 -0.02 0.00 0.00 31.44 29.91 1k72 n GLU 329 CO 0.00 0.00 0.00 -0.46 1.18 0.00 0.00 177.13 177.85 1k72 s TRP 330 N -3.05 3.73 0.56 -0.32 -0.00 -0.77 -4.93 118.94 114.16 1k72 s TRP 330 Ca 0.11 1.72 0.26 0.00 -0.00 0.00 0.00 56.10 58.19 1k72 s TRP 330 Cb 0.16 -3.13 1.50 0.00 -0.00 0.00 0.00 33.47 32.00 1k72 s TRP 330 CO 0.64 -0.08 2.03 1.05 -0.00 0.00 0.00 176.95 180.59 1k72 h GLU 331 N 5.60 0.00 0.00 5.86 4.11 -1.89 -1.99 114.58 126.27 1k72 h GLU 331 Ca -0.43 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.00 1k72 h GLU 331 Cb 1.21 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.46 1k72 h GLU 331 CO 0.73 0.00 0.00 0.78 0.07 0.00 0.00 179.01 180.59 1k72 h GLY 332 N 0.00 0.00 -4.03 1.06 0.00 -1.91 -3.46 103.07 94.73 1k72 h GLY 332 Ca 0.16 0.00 -0.54 0.00 0.00 0.00 0.00 47.33 46.96 1k72 h GLY 332 CO -0.00 0.00 0.81 0.00 0.00 0.00 0.00 176.54 177.35 1k72 n THR 334 N 0.81 0.56 -0.31 0.00 -1.04 -1.26 -4.83 114.28 108.21 1k72 n THR 334 Ca 0.03 -0.15 0.17 0.00 -2.04 0.00 0.00 64.05 62.06 1k72 n THR 334 Cb 0.39 -1.96 0.35 0.00 -1.82 0.00 0.00 70.33 67.28 1k72 n THR 334 CO 0.00 0.00 0.00 -0.65 -0.64 0.00 0.00 175.07 173.78 1k72 h PRO 335 N 10.07 0.16 0.00 -2.82 0.11 -1.91 -0.32 132.00 137.28 1k72 h PRO 335 Ca -0.47 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.63 1k72 h PRO 335 Cb 1.27 -0.04 0.00 0.00 0.11 0.00 0.00 31.00 32.34 1k72 h PRO 335 CO 0.95 0.11 0.00 -1.13 -0.21 0.00 0.00 178.00 177.72 1k72 n SER 336 N -5.26 0.00 -0.08 -2.05 3.41 -1.26 -2.75 113.62 105.63 1k72 n SER 336 Ca 0.25 -0.32 0.05 0.00 -0.26 0.00 0.00 58.87 58.59 1k72 n SER 336 Cb 0.80 -0.13 -0.04 0.00 -0.26 0.00 0.00 64.21 64.59 1k72 n SER 336 CO 0.00 0.00 0.00 0.29 -0.16 0.00 0.00 175.04 175.17 1k72 n LYS 337 N -1.13 3.11 0.00 4.33 5.02 -0.13 -4.69 118.16 124.67 1k72 n LYS 337 Ca 0.12 -0.20 -0.09 0.00 -2.02 0.00 0.00 58.31 56.11 1k72 n LYS 337 Cb 0.10 -1.02 -0.03 0.00 -0.02 0.00 0.00 35.03 34.06 1k72 n LYS 337 CO 0.00 0.00 0.00 0.28 -0.52 0.00 0.00 177.40 177.16 1k72 h VAL 338 N 0.39 0.56 -0.44 -0.18 2.07 -1.52 -0.23 116.25 116.89 1k72 h VAL 338 Ca 0.00 0.00 -0.07 0.00 0.82 0.00 0.00 66.70 67.45 1k72 h VAL 338 Cb 0.28 0.56 -0.02 0.00 -1.52 0.00 0.00 31.29 30.59 1k72 h VAL 338 CO 0.00 0.00 -0.02 0.77 0.02 0.00 0.00 177.57 178.34 1k72 h SER 339 N -0.22 0.70 -0.45 0.57 4.64 -1.84 -0.74 113.55 116.20 1k72 h SER 339 Ca 0.09 -0.17 -0.01 0.00 -0.47 0.00 0.00 61.79 61.23 1k72 h SER 339 Cb 0.35 -0.18 -0.02 0.00 -0.31 0.00 0.00 62.40 62.24 1k72 h SER 339 CO -0.25 0.78 0.22 0.58 -0.87 0.00 0.00 176.83 177.30 1k72 h VAL 340 N 0.68 1.18 -0.47 0.95 2.07 -1.68 0.19 116.25 119.16 1k72 h VAL 340 Ca 0.13 -0.50 -0.06 0.00 0.82 0.00 0.00 66.70 67.10 1k72 h VAL 340 Cb 0.45 0.68 -0.02 0.00 -1.52 0.00 0.00 31.29 30.88 1k72 h VAL 340 CO 0.02 0.19 0.07 1.88 0.02 0.00 0.00 177.57 179.75 1k72 h TYR 341 N 0.59 0.84 -0.22 1.57 0.05 -0.74 -1.99 116.97 117.07 1k72 h TYR 341 Ca 0.16 -0.12 -0.10 0.00 0.05 0.00 0.00 58.73 58.72 1k72 h TYR 341 Cb 0.10 -0.23 -0.01 0.00 1.01 0.00 0.00 36.73 37.60 1k72 h TYR 341 CO -0.01 0.79 -0.29 0.87 -1.05 0.00 0.00 178.16 178.47 1k72 h LYS 342 N 0.66 0.44 -0.57 4.88 1.57 -0.97 -1.16 116.57 121.42 1k72 h LYS 342 Ca 0.14 -0.17 -0.08 0.00 -1.87 0.00 0.00 60.65 58.67 1k72 h LYS 342 Cb 0.40 -0.02 -0.02 0.00 0.08 0.00 0.00 32.23 32.67 1k72 h LYS 342 CO 0.01 0.69 0.05 -0.44 -0.57 0.00 0.00 179.45 179.19 1k72 h ASP 343 N 0.39 0.91 -0.18 0.86 3.45 -0.79 -2.34 116.42 118.71 1k72 h ASP 343 Ca 0.05 -0.22 -0.03 0.00 0.43 0.00 0.00 57.03 57.27 1k72 h ASP 343 Cb 0.70 -0.24 -0.01 0.00 -0.56 0.00 0.00 39.33 39.22 1k72 h ASP 343 CO 0.05 0.94 0.00 0.15 -1.57 0.00 0.00 179.24 178.82 1k72 h PHE 344 N 0.88 0.35 -0.39 4.55 3.57 -1.04 0.09 116.94 124.95 1k72 h PHE 344 Ca 0.17 -0.06 0.08 0.00 3.53 0.00 0.00 57.97 61.69 1k72 h PHE 344 Cb 0.45 -0.09 -0.08 0.00 2.79 0.00 0.00 35.95 39.02 1k72 h PHE 344 CO 0.03 0.52 -0.12 1.25 -2.23 0.00 0.00 178.31 177.76 1k72 h LEU 345 N 0.08 -0.43 -0.31 0.59 5.85 -1.07 -1.39 115.31 118.63 1k72 h LEU 345 Ca 0.05 0.12 -0.08 0.00 0.84 0.00 0.00 57.88 58.82 1k72 h LEU 345 Cb 0.37 0.27 -0.01 0.00 0.37 0.00 0.00 40.66 41.66 1k72 h LEU 345 CO 0.01 -0.15 -0.11 0.50 -0.34 0.00 0.00 178.44 178.35 1k72 h LYS 346 N -0.03 0.62 -0.68 1.25 3.64 -1.26 -2.67 116.57 117.44 1k72 h LYS 346 Ca 0.19 -0.25 0.00 0.00 -1.27 0.00 0.00 60.65 59.32 1k72 h LYS 346 Cb 0.32 -0.03 -0.03 0.00 -0.41 0.00 0.00 32.23 32.08 1k72 h LYS 346 CO -0.42 0.82 0.42 0.66 -2.27 0.00 0.00 179.45 178.67 1k72 h SER 347 N 0.38 0.80 -0.25 4.20 4.64 -0.69 0.14 113.55 122.78 1k72 h SER 347 Ca 0.07 -0.05 -0.13 0.00 -0.47 0.00 0.00 61.79 61.21 1k72 h SER 347 Cb 0.62 -0.20 -0.00 0.00 -0.31 0.00 0.00 62.40 62.51 1k72 h SER 347 CO 0.04 0.61 -0.36 1.56 -0.87 0.00 0.00 176.83 177.81 1k72 h GLN 348 N 0.92 0.68 -0.57 4.77 1.08 -1.31 -1.70 115.11 118.98 1k72 h GLN 348 Ca 0.24 -0.40 -0.08 0.00 -1.45 0.00 0.00 58.65 56.96 1k72 h GLN 348 Cb -0.06 0.04 -0.02 0.00 -0.05 0.00 0.00 27.48 27.39 1k72 h GLN 348 CO -0.05 1.02 0.05 0.82 -0.95 0.00 0.00 178.83 179.72 1k72 h ILE 349 N 0.40 1.26 -0.16 2.54 1.08 -1.38 -2.43 117.51 118.80 1k72 h ILE 349 Ca 0.02 -1.05 -0.04 0.00 -0.39 0.00 0.00 64.86 63.40 1k72 h ILE 349 Cb 0.95 0.83 -0.01 0.00 -3.07 0.00 0.00 36.82 35.52 1k72 h ILE 349 CO 0.08 0.38 -0.07 0.44 -0.69 0.00 0.00 178.15 178.29 1k72 h ASP 350 N 0.86 0.23 -0.25 1.72 5.19 -0.65 -0.04 116.42 123.47 1k72 h ASP 350 Ca 0.17 -0.04 -0.03 0.00 -0.62 0.00 0.00 57.03 56.51 1k72 h ASP 350 Cb 0.48 -0.06 -0.01 0.00 0.18 0.00 0.00 39.33 39.92 1k72 h ASP 350 CO 0.02 0.34 0.05 0.22 -3.12 0.00 0.00 179.24 176.75 1k72 h TYR 351 N 0.24 0.44 -0.82 4.55 5.03 -1.00 0.30 116.97 125.71 1k72 h TYR 351 Ca 0.05 -0.06 -0.02 0.00 2.58 0.00 0.00 58.73 61.29 1k72 h TYR 351 Cb 0.28 -0.12 -0.04 0.00 1.55 0.00 0.00 36.73 38.40 1k72 h TYR 351 CO 0.00 0.51 0.43 0.00 -1.32 0.00 0.00 178.16 177.79 1k72 h ALA 352 N 0.87 1.21 0.00 1.82 0.00 -0.97 -3.22 119.26 118.98 1k72 h ALA 352 Ca 0.08 -0.13 -0.13 0.00 0.00 0.00 0.00 54.91 54.73 1k72 h ALA 352 Cb 0.30 -0.33 -0.02 0.00 0.00 0.00 0.00 17.79 17.74 1k72 h ALA 352 CO 0.00 0.62 -0.82 -0.07 0.00 0.00 0.00 179.25 178.98 1k72 h LEU 353 N 1.15 0.00 0.00 0.00 3.38 -0.79 -1.16 115.31 117.89 1k72 h LEU 353 Ca 0.29 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.26 1k72 h LEU 353 Cb 0.05 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.80 1k72 h LEU 353 CO -0.04 0.54 0.00 0.61 0.09 0.00 0.00 178.44 179.64 1k72 n GLY 354 N 1.28 -0.07 0.30 0.83 0.00 0.11 -4.15 105.19 103.49 1k72 n GLY 354 Ca -0.02 0.00 0.18 0.00 0.00 0.00 0.00 46.02 46.18 1k72 n GLY 354 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 1k72 h SER 355 N 0.00 0.00 0.43 1.61 4.64 -0.66 -0.83 113.55 118.74 1k72 h SER 355 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1k72 h SER 355 Cb 0.00 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.09 1k72 h SER 355 CO 0.00 0.04 -0.24 0.35 -0.87 0.00 0.00 176.83 176.11 1k72 n THR 356 N -3.35 0.00 0.00 2.95 -2.24 -1.26 -4.91 114.28 105.47 1k72 n THR 356 Ca -0.02 -0.06 0.00 0.00 -2.27 0.00 0.00 64.05 61.70 1k72 n THR 356 Cb 0.17 0.08 0.00 0.00 -2.10 0.00 0.00 70.33 68.48 1k72 n THR 356 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1k72 n GLY 357 N 1.38 1.02 3.26 3.38 0.00 -0.32 -5.09 105.19 108.82 1k72 n GLY 357 Ca 0.11 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 46.01 1k72 n GLY 357 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 1k72 s ARG 358 N -0.27 0.80 0.20 1.61 1.04 -1.24 -4.81 118.95 116.28 1k72 s ARG 358 Ca 0.00 -0.44 -0.16 0.00 -1.04 0.00 0.00 55.73 54.09 1k72 s ARG 358 Cb 0.00 0.35 -0.08 0.00 -2.04 0.00 0.00 34.95 33.18 1k72 s ARG 358 CO 0.00 -0.25 0.63 0.45 -0.04 0.00 0.00 175.30 176.08 1k72 s SER 359 N -1.95 6.87 -0.04 -2.89 0.15 0.44 -3.83 113.70 112.45 1k72 s SER 359 Ca -0.06 1.19 0.17 0.00 0.70 0.00 0.00 55.95 57.94 1k72 s SER 359 Cb -0.01 -2.33 0.52 0.00 -1.71 0.00 0.00 66.02 62.48 1k72 s SER 359 CO -0.02 0.02 1.44 0.49 1.20 0.00 0.00 173.24 176.37 1k72 n PHE 360 N 0.52 0.87 -3.83 3.44 3.01 -0.44 -3.82 117.46 117.22 1k72 n PHE 360 Ca -0.03 -0.55 -0.36 0.00 1.01 0.00 0.00 57.45 57.52 1k72 n PHE 360 Cb 0.52 -0.09 -0.13 0.00 -0.01 0.00 0.00 39.48 39.77 1k72 n PHE 360 CO 0.00 0.00 0.00 0.08 1.01 0.00 0.00 176.76 177.85 1k72 s VAL 361 N -1.32 3.97 0.29 -4.37 1.01 -1.26 -1.84 120.40 116.88 1k72 s VAL 361 Ca 0.39 -0.29 -0.30 0.00 0.00 0.00 0.00 61.98 61.78 1k72 s VAL 361 Cb 0.22 -2.84 -0.12 0.00 0.00 0.00 0.00 36.38 33.65 1k72 s VAL 361 CO 0.23 0.37 1.53 0.52 0.00 0.00 0.00 175.10 177.75 1k72 n VAL 362 N 4.84 1.14 -1.82 2.92 0.31 -0.33 -2.55 118.33 122.85 1k72 n VAL 362 Ca -0.17 -0.29 -0.16 0.00 -0.01 0.00 0.00 64.34 63.72 1k72 n VAL 362 Cb 0.51 -1.83 -0.04 0.00 -0.91 0.00 0.00 33.84 31.57 1k72 n VAL 362 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 1k72 n GLY 363 N 1.94 0.78 2.96 2.92 0.00 -1.26 -1.11 105.19 111.41 1k72 n GLY 363 Ca 0.08 -0.26 -0.12 0.00 0.00 0.00 0.00 46.02 45.72 1k72 n GLY 363 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 1k72 s TYR 364 N -2.66 -0.02 0.00 1.61 5.04 -1.06 -4.79 117.35 115.47 1k72 s TYR 364 Ca 0.00 0.06 0.00 0.00 -2.44 0.00 0.00 57.07 54.69 1k72 s TYR 364 Cb 0.00 -0.01 0.00 0.00 0.35 0.00 0.00 41.96 42.30 1k72 s TYR 364 CO 0.00 -0.08 0.00 0.41 -1.34 0.00 0.00 175.55 174.54 1k72 n GLY 365 N 2.73 0.64 3.69 8.97 0.00 -1.26 -4.28 105.19 115.68 1k72 n GLY 365 Ca -0.15 -0.83 -0.42 0.00 0.00 0.00 0.00 46.02 44.62 1k72 n GLY 365 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1k72 s VAL 366 N 0.00 4.81 -1.31 1.61 1.01 -1.26 -4.32 120.40 120.93 1k72 s VAL 366 Ca 0.00 1.99 -0.11 0.00 0.00 0.00 0.00 61.98 63.86 1k72 s VAL 366 Cb 0.00 -4.29 0.00 0.00 0.00 0.00 0.00 36.38 32.09 1k72 s VAL 366 CO 0.00 0.03 0.53 -3.20 0.00 0.00 0.00 175.10 172.46 1k72 n ASN 367 N 4.91 -2.18 -4.72 3.32 4.05 -1.26 -0.42 115.26 118.95 1k72 n ASN 367 Ca 0.08 -1.06 -0.30 0.00 0.45 0.00 0.00 54.58 53.74 1k72 n ASN 367 Cb 0.49 -2.89 0.13 0.00 1.23 0.00 0.00 39.78 38.74 1k72 n ASN 367 CO 0.00 0.00 0.00 -2.16 -3.05 0.00 0.00 177.26 172.05 1k72 s PRO 368 N -6.54 1.57 0.29 1.20 0.04 -1.26 -4.10 135.00 126.19 1k72 s PRO 368 Ca 0.20 1.06 -0.30 0.00 0.04 0.00 0.00 61.00 62.00 1k72 s PRO 368 Cb -0.08 -1.83 -0.12 0.00 0.04 0.00 0.00 34.50 32.51 1k72 s PRO 368 CO 0.90 -2.09 1.60 -2.30 0.04 0.00 0.00 177.00 175.15 1k72 n PRO 369 N -3.81 2.70 -0.00 0.56 -0.02 -1.25 -4.91 135.00 128.26 1k72 n PRO 369 Ca 0.08 0.96 0.08 0.00 -2.02 0.00 0.00 63.50 62.61 1k72 n PRO 369 Cb 0.54 -2.74 -0.11 0.00 -0.02 0.00 0.00 33.50 31.16 1k72 n PRO 369 CO 0.00 0.00 0.00 1.04 1.98 0.00 0.00 175.50 178.52 1k72 n GLN 370 N 2.23 1.08 -2.70 -0.52 1.13 -1.26 -4.51 117.38 112.82 1k72 n GLN 370 Ca 0.09 -0.06 -0.17 0.00 -1.94 0.00 0.00 57.00 54.92 1k72 n GLN 370 Cb 0.37 -1.34 0.01 0.00 0.11 0.00 0.00 30.24 29.38 1k72 n GLN 370 CO 0.00 0.00 0.00 0.72 -1.44 0.00 0.00 177.06 176.34 1k72 n HIS 371 N -1.67 1.91 -1.77 1.08 8.25 -1.26 -4.33 115.22 117.42 1k72 n HIS 371 Ca 0.01 -3.12 -0.38 0.00 -0.26 0.00 0.00 57.72 53.97 1k72 n HIS 371 Cb 0.34 -0.31 0.05 0.00 1.12 0.00 0.00 29.99 31.19 1k72 n HIS 371 CO 0.00 0.00 0.00 -1.25 0.64 0.00 0.00 176.34 175.73 1k72 s PRO 372 N -3.18 2.88 -0.92 -0.41 0.04 -1.26 -3.08 135.00 129.07 1k72 s PRO 372 Ca 0.37 2.15 -0.24 0.00 0.04 0.00 0.00 61.00 63.31 1k72 s PRO 372 Cb 0.41 -2.06 -0.03 0.00 0.04 0.00 0.00 34.50 32.86 1k72 s PRO 372 CO -0.06 -1.37 1.85 -1.58 0.04 0.00 0.00 177.00 175.88 1k72 s HIS 373 N -1.35 1.94 -0.21 0.56 2.46 -0.08 -4.85 115.29 113.77 1k72 s HIS 373 Ca 0.77 0.36 -0.07 0.00 0.47 0.00 0.00 55.06 56.59 1k72 s HIS 373 Cb -0.39 -4.17 0.10 0.00 -0.13 0.00 0.00 32.58 27.99 1k72 s HIS 373 CO 0.44 -1.79 0.43 -1.58 -2.47 0.00 0.00 174.74 169.76 1k72 s HIS 374 N 9.09 -0.83 0.08 3.88 5.04 -1.26 -3.93 115.29 127.35 1k72 s HIS 374 Ca 0.65 1.51 -0.29 0.00 -1.54 0.00 0.00 55.06 55.40 1k72 s HIS 374 Cb -0.06 0.31 -0.17 0.00 0.04 0.00 0.00 32.58 32.70 1k72 s HIS 374 CO -0.02 -0.51 1.65 0.00 -2.34 0.00 0.00 174.74 173.52 1k72 h ARG 375 N 8.16 -0.52 -0.33 2.88 3.08 -1.69 -2.18 114.38 123.79 1k72 h ARG 375 Ca -0.16 0.04 -0.15 0.00 0.07 0.00 0.00 59.98 59.78 1k72 h ARG 375 Cb 1.11 0.12 -0.01 0.00 0.08 0.00 0.00 29.97 31.27 1k72 h ARG 375 CO 0.13 -0.34 -0.38 1.15 -1.07 0.00 0.00 179.97 179.46 1k72 h THR 376 N -0.56 1.28 -0.39 2.04 2.02 -1.82 -1.79 112.91 113.69 1k72 h THR 376 Ca -0.06 -1.55 -0.10 0.00 0.77 0.00 0.00 66.41 65.48 1k72 h THR 376 Cb 0.42 1.44 -0.02 0.00 -1.74 0.00 0.00 68.15 68.26 1k72 h THR 376 CO 0.09 0.51 -0.15 0.00 0.37 0.00 0.00 175.52 176.34 1k72 h ALA 377 N 0.93 1.00 0.31 6.16 0.00 -1.90 -3.12 119.26 122.65 1k72 h ALA 377 Ca 0.06 -0.33 -0.02 0.00 0.00 0.00 0.00 54.91 54.62 1k72 h ALA 377 Cb 0.93 -0.16 0.00 0.00 0.00 0.00 0.00 17.79 18.57 1k72 h ALA 377 CO 0.09 0.59 -0.15 1.25 0.00 0.00 0.00 179.25 181.03 1k72 h HIS 378 N 0.65 -0.38 -1.35 0.00 6.17 -1.28 -1.17 115.15 117.78 1k72 h HIS 378 Ca 0.11 -0.01 -0.01 0.00 0.71 0.00 0.00 60.37 61.16 1k72 h HIS 378 Cb 0.62 0.13 0.00 0.00 2.52 0.00 0.00 27.41 30.68 1k72 h HIS 378 CO 0.03 -0.09 -0.02 0.41 0.71 0.00 0.00 177.93 178.97 1k72 n GLY 379 N -0.58 0.81 3.77 5.26 0.00 -0.68 -1.16 105.19 112.61 1k72 n GLY 379 Ca -0.10 -0.61 -0.40 0.00 0.00 0.00 0.00 46.02 44.91 1k72 n GLY 379 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1k72 s SER 380 N -3.02 6.80 0.00 1.61 0.15 -1.26 -4.73 113.70 113.25 1k72 s SER 380 Ca 0.01 2.46 0.09 0.00 0.70 0.00 0.00 55.95 59.22 1k72 s SER 380 Cb -0.01 -2.63 0.21 0.00 -1.71 0.00 0.00 66.02 61.88 1k72 s SER 380 CO 0.02 -0.49 1.10 -2.67 1.20 0.00 0.00 173.24 172.40 1k72 n TRP 381 N 0.62 0.28 -1.06 3.44 2.14 -1.26 -4.38 117.44 117.23 1k72 n TRP 381 Ca 0.01 -0.35 0.05 0.00 2.07 0.00 0.00 57.50 59.29 1k72 n TRP 381 Cb 0.44 -0.02 0.07 0.00 -0.81 0.00 0.00 31.31 30.99 1k72 n TRP 381 CO 0.00 0.00 0.00 0.25 2.07 0.00 0.00 177.69 180.01 1k72 n THR 382 N 0.44 1.16 -3.63 -1.67 -2.24 -1.26 -2.08 114.28 105.00 1k72 n THR 382 Ca 0.09 -1.36 -0.22 0.00 -2.27 0.00 0.00 64.05 60.29 1k72 n THR 382 Cb 0.36 0.16 0.04 0.00 -2.10 0.00 0.00 70.33 68.79 1k72 n THR 382 CO 0.00 0.00 0.00 -0.67 -0.57 0.00 0.00 175.07 173.83 1k72 n ASP 383 N -0.84 -2.57 -3.74 3.42 -0.08 -1.24 -3.70 116.55 107.80 1k72 n ASP 383 Ca 0.08 -0.84 -0.16 0.00 -1.51 0.00 0.00 54.79 52.36 1k72 n ASP 383 Cb 0.57 -4.11 -0.16 0.00 2.34 0.00 0.00 41.12 39.75 1k72 n ASP 383 CO 0.00 0.00 0.00 -1.10 0.12 0.00 0.00 177.20 176.22 1k72 s GLN 384 N -5.77 -0.04 0.47 -0.67 -0.21 -1.26 -4.80 119.66 107.39 1k72 s GLN 384 Ca 0.14 0.26 0.26 0.00 0.02 0.00 0.00 55.36 56.04 1k72 s GLN 384 Cb -0.04 -0.31 1.11 0.00 1.00 0.00 0.00 33.01 34.77 1k72 s GLN 384 CO 0.81 -0.21 1.90 0.52 -2.12 0.00 0.00 175.29 176.19 1k72 h MET 385 N 7.60 0.00 -0.01 2.91 2.86 -1.94 -3.08 114.93 123.27 1k72 h MET 385 Ca -0.37 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.27 1k72 h MET 385 Cb 1.12 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.78 1k72 h MET 385 CO 0.39 0.18 -0.18 0.25 1.06 0.00 0.00 176.91 178.61 1k72 n THR 386 N -3.41 0.00 -3.73 2.22 -2.24 -1.26 -4.88 114.28 100.99 1k72 n THR 386 Ca -0.00 -0.18 -0.16 0.00 -2.27 0.00 0.00 64.05 61.44 1k72 n THR 386 Cb 0.37 0.50 -0.16 0.00 -2.10 0.00 0.00 70.33 68.94 1k72 n THR 386 CO 0.00 0.00 0.00 -0.55 -0.57 0.00 0.00 175.07 173.95 1k72 s SER 387 N -2.33 0.29 1.09 3.42 0.15 -1.16 -3.75 113.70 111.41 1k72 s SER 387 Ca 0.28 0.18 -0.13 0.00 0.70 0.00 0.00 55.95 56.99 1k72 s SER 387 Cb 0.20 0.06 0.24 0.00 -1.71 0.00 0.00 66.02 64.81 1k72 s SER 387 CO 0.46 -0.17 1.06 -2.16 1.20 0.00 0.00 173.24 173.62 1k72 s PRO 388 N 1.49 -0.31 0.00 5.44 0.04 -1.26 -4.42 135.00 135.97 1k72 s PRO 388 Ca -0.05 0.65 0.18 0.00 0.04 0.00 0.00 61.00 61.82 1k72 s PRO 388 Cb -0.12 -1.64 0.97 0.00 0.04 0.00 0.00 34.50 33.74 1k72 s PRO 388 CO -0.04 -3.27 1.64 0.25 0.04 0.00 0.00 177.00 175.62 1k72 n THR 389 N -4.57 0.05 -4.17 1.26 -2.24 -1.25 -4.81 114.28 98.56 1k72 n THR 389 Ca 0.04 -0.09 -0.11 0.00 -2.27 0.00 0.00 64.05 61.63 1k72 n THR 389 Cb 0.56 -0.11 -0.10 0.00 -2.10 0.00 0.00 70.33 68.57 1k72 n THR 389 CO 0.00 0.00 0.00 -0.72 -0.57 0.00 0.00 175.07 173.78 1k72 s TYR 390 N -1.95 0.93 -0.02 4.78 -0.85 -1.26 -5.11 117.35 113.87 1k72 s TYR 390 Ca 0.28 -1.13 -0.28 0.00 -0.52 0.00 0.00 57.07 55.42 1k72 s TYR 390 Cb 0.13 -0.54 -0.03 0.00 0.38 0.00 0.00 41.96 41.90 1k72 s TYR 390 CO 0.22 -0.38 0.91 -1.01 -1.52 0.00 0.00 175.55 173.76 1k72 s HIS 391 N -3.88 3.63 -0.24 -3.49 3.76 -1.26 -4.93 115.29 108.88 1k72 s HIS 391 Ca 0.21 1.57 0.28 0.00 -0.15 0.00 0.00 55.06 56.97 1k72 s HIS 391 Cb 0.07 -3.04 0.89 0.00 1.11 0.00 0.00 32.58 31.61 1k72 s HIS 391 CO 0.01 0.01 1.80 0.00 -0.85 0.00 0.00 174.74 175.70 1k72 h ARG 392 N 6.80 0.00 -5.62 1.40 3.08 -1.04 -3.45 114.38 115.55 1k72 h ARG 392 Ca -0.41 0.00 -0.46 0.00 0.07 0.00 0.00 59.98 59.19 1k72 h ARG 392 Cb 1.21 0.00 -0.18 0.00 0.08 0.00 0.00 29.97 31.08 1k72 h ARG 392 CO 0.75 0.00 -0.77 -1.01 -1.07 0.00 0.00 179.97 177.87 1k72 s HIS 393 N -3.41 1.54 -0.38 3.04 3.76 -0.45 -4.95 115.29 114.44 1k72 s HIS 393 Ca 0.05 -0.52 -0.12 0.00 -0.15 0.00 0.00 55.06 54.32 1k72 s HIS 393 Cb 0.08 -0.80 0.03 0.00 1.11 0.00 0.00 32.58 32.99 1k72 s HIS 393 CO 0.58 0.20 0.23 0.99 -0.85 0.00 0.00 174.74 175.89 1k72 s THR 394 N -2.02 4.75 -1.27 1.30 2.01 -1.26 -4.73 115.64 114.42 1k72 s THR 394 Ca 0.10 -0.80 -0.12 0.00 0.31 0.00 0.00 61.69 61.18 1k72 s THR 394 Cb -0.06 -3.65 0.15 0.00 0.01 0.00 0.00 72.50 68.95 1k72 s THR 394 CO 0.04 -0.25 1.71 0.00 -0.69 0.00 0.00 174.62 175.43 1k72 n ILE 395 N 5.04 4.21 -1.53 1.82 3.06 -1.26 -4.98 119.36 125.71 1k72 n ILE 395 Ca -0.12 -4.40 -0.49 0.00 -2.50 0.00 0.00 62.75 55.24 1k72 n ILE 395 Cb 0.46 -2.42 -0.04 0.00 0.54 0.00 0.00 39.64 38.18 1k72 n ILE 395 CO 0.00 0.00 0.00 -1.22 -2.50 0.00 0.00 176.55 172.83 1k72 n TYR 396 N 5.14 0.82 0.00 9.51 4.01 -1.26 -3.01 117.16 132.36 1k72 n TYR 396 Ca 0.40 0.79 0.00 0.00 -0.16 0.00 0.00 57.90 58.94 1k72 n TYR 396 Cb 0.40 -2.18 0.00 0.00 -0.31 0.00 0.00 39.34 37.25 1k72 n TYR 396 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 1k72 n GLY 397 N 1.82 2.34 3.69 2.72 0.00 -0.27 -3.24 105.19 112.25 1k72 n GLY 397 Ca 0.15 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.75 1k72 n GLY 397 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1k72 s ALA 398 N -2.38 3.68 -0.28 4.61 0.00 -1.17 -4.34 121.76 121.89 1k72 s ALA 398 Ca 0.00 1.19 -0.19 0.00 0.00 0.00 0.00 51.96 52.96 1k72 s ALA 398 Cb 0.00 -3.70 -0.02 0.00 0.00 0.00 0.00 23.12 19.41 1k72 s ALA 398 CO 0.00 -1.11 0.59 -1.17 0.00 0.00 0.00 175.76 174.06 1k72 s LEU 399 N 2.70 4.10 0.81 0.00 2.96 -1.26 -1.18 118.68 126.81 1k72 s LEU 399 Ca 0.74 0.51 -0.11 0.00 -0.22 0.00 0.00 54.13 55.05 1k72 s LEU 399 Cb -0.39 -2.77 0.08 0.00 0.50 0.00 0.00 46.19 43.61 1k72 s LEU 399 CO 0.32 -0.39 1.09 0.68 -1.32 0.00 0.00 176.35 176.73 1k72 s VAL 400 N 2.47 3.11 0.20 1.68 -7.23 -0.77 -4.53 120.40 115.34 1k72 s VAL 400 Ca 0.24 0.36 -0.17 0.00 -1.81 0.00 0.00 61.98 60.60 1k72 s VAL 400 Cb -0.15 -2.94 0.18 0.00 0.56 0.00 0.00 36.38 34.02 1k72 s VAL 400 CO 0.10 -0.47 1.60 1.23 -0.31 0.00 0.00 175.10 177.25 1k72 h GLY 401 N -1.22 0.16 0.00 2.32 0.00 -0.75 -3.43 103.07 100.15 1k72 h GLY 401 Ca -0.47 0.33 0.00 0.00 0.00 0.00 0.00 47.33 47.19 1k72 h GLY 401 CO 0.55 -0.23 0.00 0.61 0.00 0.00 0.00 176.54 177.47 1k72 n GLY 402 N -1.44 1.71 3.75 4.60 0.00 -0.53 -1.41 105.19 111.88 1k72 n GLY 402 Ca 0.06 -2.21 -0.29 0.00 0.00 0.00 0.00 46.02 43.58 1k72 n GLY 402 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1k72 s PRO 403 N -1.56 0.80 0.60 1.61 0.04 -1.26 -4.46 135.00 130.77 1k72 s PRO 403 Ca 0.00 0.32 -0.08 0.00 0.04 0.00 0.00 61.00 61.27 1k72 s PRO 403 Cb 0.00 -1.80 0.13 0.00 0.04 0.00 0.00 34.50 32.88 1k72 s PRO 403 CO 0.00 -2.44 0.82 -0.40 0.04 0.00 0.00 177.00 175.03 1k72 n ASP 404 N -3.94 0.28 0.00 6.66 3.85 -0.04 -4.75 116.55 118.61 1k72 n ASP 404 Ca 0.06 -1.43 0.05 0.00 -0.71 0.00 0.00 54.79 52.77 1k72 n ASP 404 Cb 0.59 -0.61 0.24 0.00 -1.35 0.00 0.00 41.12 39.99 1k72 n ASP 404 CO 0.00 0.00 0.00 -0.46 -1.01 0.00 0.00 177.20 175.73 1k72 n ASN 405 N -3.41 0.00 -0.69 -1.12 0.23 -1.26 -1.82 115.26 107.19 1k72 n ASN 405 Ca 0.11 0.20 0.09 0.00 -0.53 0.00 0.00 54.58 54.45 1k72 n ASN 405 Cb 0.38 -0.32 0.23 0.00 -2.08 0.00 0.00 39.78 37.99 1k72 n ASN 405 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 1k72 n ALA 406 N -1.32 2.81 -1.08 -2.53 0.00 -1.26 -4.33 120.51 112.80 1k72 n ALA 406 Ca 0.04 -2.35 -0.03 0.00 0.00 0.00 0.00 53.44 51.10 1k72 n ALA 406 Cb 0.09 -0.63 -0.01 0.00 0.00 0.00 0.00 19.45 18.90 1k72 n ALA 406 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 1k72 n ASP 407 N -0.70 -4.46 -4.75 0.00 8.00 -0.76 -4.85 116.55 109.04 1k72 n ASP 407 Ca 0.20 0.06 -0.41 0.00 0.71 0.00 0.00 54.79 55.35 1k72 n ASP 407 Cb 0.82 -2.19 -0.04 0.00 -0.02 0.00 0.00 41.12 39.69 1k72 n ASP 407 CO 0.00 0.00 0.00 -0.83 -0.39 0.00 0.00 177.20 175.98 1k72 s GLY 408 N -2.22 2.85 -0.24 0.44 0.00 -1.26 -4.74 107.32 102.15 1k72 s GLY 408 Ca 0.00 0.93 -0.19 0.00 0.00 0.00 0.00 44.72 45.46 1k72 s GLY 408 CO 0.00 1.71 0.62 -0.47 0.00 0.00 0.00 173.10 174.96 1k72 s TYR 409 N -0.50 -0.77 -0.07 1.90 5.04 -1.26 -0.86 117.35 120.83 1k72 s TYR 409 Ca 0.49 1.74 0.01 0.00 -2.44 0.00 0.00 57.07 56.88 1k72 s TYR 409 Cb -0.32 0.33 0.02 0.00 0.35 0.00 0.00 41.96 42.34 1k72 s TYR 409 CO 0.39 -0.38 -0.08 0.95 -1.34 0.00 0.00 175.55 175.08 1k72 s THR 410 N 0.76 0.91 -1.17 4.34 -4.23 -1.26 -5.08 115.64 109.92 1k72 s THR 410 Ca -0.03 -0.31 -0.16 0.00 -1.18 0.00 0.00 61.69 60.01 1k72 s THR 410 Cb -0.05 -0.89 0.14 0.00 1.34 0.00 0.00 72.50 73.04 1k72 s THR 410 CO -0.06 0.32 1.44 -0.62 -0.54 0.00 0.00 174.62 175.16 1k72 s ASP 411 N 1.04 6.95 0.07 3.99 2.15 -1.26 -4.74 116.67 124.87 1k72 s ASP 411 Ca -0.08 -2.71 0.06 0.00 0.43 0.00 0.00 52.55 50.25 1k72 s ASP 411 Cb -0.14 -2.44 -0.03 0.00 -0.30 0.00 0.00 42.92 40.01 1k72 s ASP 411 CO -0.00 -0.89 -0.16 -1.61 -0.17 0.00 0.00 175.17 172.33 1k72 s GLU 412 N 2.31 0.96 0.36 4.34 2.02 -1.26 -4.65 118.70 122.78 1k72 s GLU 412 Ca 0.43 -0.95 0.04 0.00 0.02 0.00 0.00 54.97 54.50 1k72 s GLU 412 Cb -0.02 -1.03 0.69 0.00 0.10 0.00 0.00 34.13 33.86 1k72 s GLU 412 CO -0.00 0.24 2.00 0.97 0.02 0.00 0.00 175.26 178.49 1k72 h ILE 413 N 4.30 1.15 -0.56 -1.63 2.10 -1.87 -2.39 117.51 118.61 1k72 h ILE 413 Ca -0.42 -0.34 -0.08 0.00 1.08 0.00 0.00 64.86 65.10 1k72 h ILE 413 Cb 1.18 0.41 -0.05 0.00 -1.09 0.00 0.00 36.82 37.27 1k72 h ILE 413 CO 0.41 0.16 0.09 -3.20 -1.08 0.00 0.00 178.15 174.53 1k72 n ASN 414 N -4.42 4.93 -3.60 2.19 5.15 -1.26 -4.08 115.26 114.18 1k72 n ASN 414 Ca 0.05 -3.09 -0.41 0.00 -0.60 0.00 0.00 54.58 50.53 1k72 n ASN 414 Cb 0.08 -0.68 -0.01 0.00 -0.53 0.00 0.00 39.78 38.64 1k72 n ASN 414 CO 0.00 0.00 0.00 -3.20 1.40 0.00 0.00 177.26 175.46 1k72 n ASN 415 N 0.04 6.54 0.07 1.20 4.05 -0.90 -4.78 115.26 121.49 1k72 n ASN 415 Ca 0.32 -2.93 0.04 0.00 0.45 0.00 0.00 54.58 52.45 1k72 n ASN 415 Cb 1.20 -1.50 0.20 0.00 1.23 0.00 0.00 39.78 40.91 1k72 n ASN 415 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 177.26 174.21 1k72 n TYR 416 N 3.66 0.25 0.00 1.20 0.18 -1.26 -0.42 117.16 120.77 1k72 n TYR 416 Ca 0.58 0.13 0.00 0.00 1.88 0.00 0.00 57.90 60.49 1k72 n TYR 416 Cb 0.30 -0.60 0.00 0.00 -0.38 0.00 0.00 39.34 38.66 1k72 n TYR 416 CO 0.00 0.00 0.00 0.28 -2.08 0.00 0.00 176.86 175.06 1k72 n VAL 417 N -1.71 0.00 0.42 -3.48 0.31 -1.26 -3.93 118.33 108.68 1k72 n VAL 417 Ca -0.00 0.42 0.12 0.00 -0.01 0.00 0.00 64.34 64.87 1k72 n VAL 417 Cb 0.13 -1.35 0.49 0.00 -0.91 0.00 0.00 33.84 32.20 1k72 n VAL 417 CO 0.00 0.00 0.00 0.78 -1.32 0.00 0.00 176.83 176.29 1k72 h ASN 418 N 0.00 0.00 -0.18 4.52 4.21 -1.78 -3.08 115.58 119.28 1k72 h ASN 418 Ca 0.00 0.00 0.00 0.00 1.21 0.00 0.00 56.30 57.51 1k72 h ASN 418 Cb 0.00 0.00 0.00 0.00 -1.12 0.00 0.00 38.32 37.20 1k72 h ASN 418 CO 0.00 0.00 0.00 -3.20 -1.29 0.00 0.00 177.43 172.94 1k72 n ASN 419 N -2.30 2.73 -4.79 5.81 5.15 0.45 -1.45 115.26 120.86 1k72 n ASN 419 Ca 0.03 -2.33 -0.34 0.00 -0.60 0.00 0.00 54.58 51.33 1k72 n ASN 419 Cb 0.27 -0.24 0.01 0.00 -0.53 0.00 0.00 39.78 39.28 1k72 n ASN 419 CO 0.00 0.00 0.00 -0.70 1.40 0.00 0.00 177.26 177.96 1k72 s GLU 420 N -1.59 3.30 0.03 1.20 2.56 -1.16 -0.90 118.70 122.14 1k72 s GLU 420 Ca 0.21 1.38 0.04 0.00 0.00 0.00 0.00 54.97 56.60 1k72 s GLU 420 Cb 0.14 -2.02 -0.02 0.00 2.00 0.00 0.00 34.13 34.24 1k72 s GLU 420 CO 0.08 -0.85 -0.13 0.96 -0.56 0.00 0.00 175.26 174.77 1k72 s ILE 421 N -2.16 0.99 0.08 -3.70 -4.36 -1.26 -0.99 121.20 109.80 1k72 s ILE 421 Ca 0.67 -0.94 -0.26 0.00 -0.26 0.00 0.00 60.65 59.87 1k72 s ILE 421 Cb -0.19 -0.91 0.08 0.00 1.25 0.00 0.00 42.46 42.69 1k72 s ILE 421 CO 0.32 -0.03 0.67 0.00 0.24 0.00 0.00 174.94 176.15 1k72 s ALA 422 N -0.84 -1.68 0.18 2.27 0.00 -1.26 -3.53 121.76 116.89 1k72 s ALA 422 Ca 0.00 0.76 -0.20 0.00 0.00 0.00 0.00 51.96 52.53 1k72 s ALA 422 Cb -0.08 0.60 0.11 0.00 0.00 0.00 0.00 23.12 23.75 1k72 s ALA 422 CO 0.01 -0.67 1.62 0.00 0.00 0.00 0.00 175.76 176.72 1k72 h ASP 424 N -0.16 0.00 -0.66 0.00 2.03 -1.83 -2.32 116.42 113.47 1k72 h ASP 424 Ca 0.21 0.00 -0.03 0.00 -0.73 0.00 0.00 57.03 56.48 1k72 h ASP 424 Cb 0.48 0.00 -0.03 0.00 -0.83 0.00 0.00 39.33 38.95 1k72 h ASP 424 CO -0.54 0.19 0.31 1.88 -1.03 0.00 0.00 179.24 180.05 1k72 h TYR 425 N 0.00 0.98 -0.00 4.15 -1.99 -1.71 -3.00 116.97 115.40 1k72 h TYR 425 Ca -0.00 -0.05 0.00 0.00 2.00 0.00 0.00 58.73 60.68 1k72 h TYR 425 Cb 0.35 -0.31 0.00 0.00 2.00 0.00 0.00 36.73 38.78 1k72 h TYR 425 CO 0.00 0.73 -0.38 0.09 -0.00 0.00 0.00 178.16 178.60 1k72 n ASN 426 N -4.32 0.73 0.27 3.88 4.13 -0.90 -4.37 115.26 114.68 1k72 n ASN 426 Ca 0.06 -0.54 -0.11 0.00 1.68 0.00 0.00 54.58 55.68 1k72 n ASN 426 Cb 0.15 0.19 -0.05 0.00 -1.54 0.00 0.00 39.78 38.52 1k72 n ASN 426 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 1k72 h ALA 427 N 3.32 -0.99 -0.60 5.41 0.00 -1.34 -1.80 119.26 123.25 1k72 h ALA 427 Ca 0.00 -0.15 -0.03 0.00 0.00 0.00 0.00 54.91 54.72 1k72 h ALA 427 Cb 0.50 0.27 -0.03 0.00 0.00 0.00 0.00 17.79 18.53 1k72 h ALA 427 CO 0.00 -0.94 0.24 0.78 0.00 0.00 0.00 179.25 179.32 1k72 h GLY 428 N -0.83 0.94 0.23 0.00 0.00 -1.81 -2.63 103.07 98.97 1k72 h GLY 428 Ca -0.07 -0.48 0.09 0.00 0.00 0.00 0.00 47.33 46.87 1k72 h GLY 428 CO 0.12 0.45 0.04 -2.75 0.00 0.00 0.00 176.54 174.40 1k72 h PHE 429 N 0.86 0.04 -0.79 5.60 -0.00 -1.73 0.07 116.94 120.99 1k72 h PHE 429 Ca 0.20 0.03 0.04 0.00 -0.00 0.00 0.00 57.97 58.25 1k72 h PHE 429 Cb 0.17 0.06 -0.05 0.00 -0.00 0.00 0.00 35.95 36.13 1k72 h PHE 429 CO 0.01 -0.08 0.49 1.15 -0.00 0.00 0.00 178.31 179.89 1k72 h THR 430 N 0.16 1.08 -0.56 4.41 2.02 -0.94 0.76 112.91 119.84 1k72 h THR 430 Ca 0.25 -0.32 -0.06 0.00 0.77 0.00 0.00 66.41 67.06 1k72 h THR 430 Cb 0.37 0.06 -0.02 0.00 -1.74 0.00 0.00 68.15 66.82 1k72 h THR 430 CO -0.39 0.17 0.13 1.23 0.37 0.00 0.00 175.52 177.03 1k72 h GLY 431 N 0.94 0.97 1.10 2.16 0.00 -1.17 -1.33 103.07 105.73 1k72 h GLY 431 Ca 0.33 -0.61 -0.07 0.00 0.00 0.00 0.00 47.33 46.98 1k72 h GLY 431 CO -0.14 0.57 0.16 0.00 0.00 0.00 0.00 176.54 177.14 1k72 h ALA 432 N 1.02 0.97 -0.64 3.60 0.00 -0.44 -2.22 119.26 121.56 1k72 h ALA 432 Ca 0.17 -0.25 -0.09 0.00 0.00 0.00 0.00 54.91 54.75 1k72 h ALA 432 Cb 0.36 -0.27 -0.02 0.00 0.00 0.00 0.00 17.79 17.85 1k72 h ALA 432 CO 0.00 0.66 0.05 -0.07 0.00 0.00 0.00 179.25 179.90 1k72 h LEU 433 N 1.06 1.06 -1.17 0.00 3.38 -0.67 -1.57 115.31 117.39 1k72 h LEU 433 Ca 0.22 -0.28 0.00 0.00 0.09 0.00 0.00 57.88 57.91 1k72 h LEU 433 Cb 0.38 -0.28 -0.04 0.00 0.09 0.00 0.00 40.66 40.80 1k72 h LEU 433 CO 0.00 1.08 0.49 0.00 0.09 0.00 0.00 178.44 180.10 1k72 h ALA 434 N 1.02 1.39 -0.36 1.53 0.00 -1.00 0.18 119.26 122.01 1k72 h ALA 434 Ca 0.19 -0.08 -0.12 0.00 0.00 0.00 0.00 54.91 54.90 1k72 h ALA 434 Cb 0.50 -0.32 -0.01 0.00 0.00 0.00 0.00 17.79 17.97 1k72 h ALA 434 CO 0.02 0.54 -0.25 0.87 0.00 0.00 0.00 179.25 180.43 1k72 h LYS 435 N 1.08 0.80 -0.29 0.00 1.79 -1.01 -1.45 116.57 117.49 1k72 h LYS 435 Ca 0.28 -0.39 -0.11 0.00 -2.18 0.00 0.00 60.65 58.26 1k72 h LYS 435 Cb -0.07 -0.01 -0.01 0.00 -1.58 0.00 0.00 32.23 30.56 1k72 h LYS 435 CO -0.06 1.02 -0.26 0.52 -1.08 0.00 0.00 179.45 179.59 1k72 h MET 436 N 0.59 0.57 -0.52 3.15 2.86 -0.74 0.55 114.93 121.38 1k72 h MET 436 Ca 0.07 -0.23 -0.07 0.00 -2.06 0.00 0.00 59.70 57.41 1k72 h MET 436 Cb 0.82 -0.03 -0.02 0.00 0.06 0.00 0.00 31.60 32.43 1k72 h MET 436 CO 0.07 0.78 0.05 -0.92 1.06 0.00 0.00 176.91 177.95 1k72 h TYR 437 N 0.50 0.96 -0.56 -0.22 3.20 -0.58 0.45 116.97 120.72 1k72 h TYR 437 Ca 0.07 -0.15 0.02 0.00 3.14 0.00 0.00 58.73 61.81 1k72 h TYR 437 Cb 0.72 -0.26 -0.03 0.00 1.54 0.00 0.00 36.73 38.70 1k72 h TYR 437 CO 0.03 0.87 0.36 -0.22 -1.64 0.00 0.00 178.16 177.55 1k72 h LYS 438 N 0.77 0.69 -0.14 1.82 3.64 -0.71 0.18 116.57 122.83 1k72 h LYS 438 Ca 0.16 -0.04 -0.20 0.00 -1.27 0.00 0.00 60.65 59.29 1k72 h LYS 438 Cb 0.45 -0.16 0.01 0.00 -0.41 0.00 0.00 32.23 32.13 1k72 h LYS 438 CO 0.02 0.46 -0.71 0.45 -2.27 0.00 0.00 179.45 177.39 1k72 h HIS 439 N 0.71 0.98 0.00 1.91 3.86 -0.48 -3.40 115.15 118.74 1k72 h HIS 439 Ca 0.22 -0.44 0.00 0.00 -1.16 0.00 0.00 60.37 58.99 1k72 h HIS 439 Cb -0.03 -0.15 0.00 0.00 1.06 0.00 0.00 27.41 28.29 1k72 h HIS 439 CO -0.05 1.26 0.00 0.43 0.86 0.00 0.00 177.93 180.43 1k72 n SER 440 N -4.01 0.69 0.00 2.45 7.64 0.15 -5.09 113.62 115.45 1k72 n SER 440 Ca -0.08 -1.15 0.00 0.00 1.01 0.00 0.00 58.87 58.65 1k72 n SER 440 Cb 0.71 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.91 1k72 n SER 440 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1k72 n GLY 441 N -0.08 0.39 0.00 0.23 0.00 0.64 -4.94 105.19 101.43 1k72 n GLY 441 Ca 0.00 -0.84 0.00 0.00 0.00 0.00 0.00 46.02 45.18 1k72 n GLY 441 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1k72 n GLY 442 N 0.00 1.97 3.70 -0.02 0.00 -1.26 -2.73 105.19 106.85 1k72 n GLY 442 Ca 0.00 -1.05 -0.42 0.00 0.00 0.00 0.00 46.02 44.54 1k72 n GLY 442 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1k72 s ASP 443 N 0.00 7.19 0.81 1.61 1.01 -1.26 -2.15 116.67 123.88 1k72 s ASP 443 Ca 0.00 1.74 -0.11 0.00 0.71 0.00 0.00 52.55 54.89 1k72 s ASP 443 Cb 0.00 -2.56 0.08 0.00 1.01 0.00 0.00 42.92 41.44 1k72 s ASP 443 CO 0.00 -0.44 1.09 -2.16 0.21 0.00 0.00 175.17 173.87 1k72 s PRO 444 N 1.61 1.94 -0.12 8.23 0.04 -1.26 -4.08 135.00 141.36 1k72 s PRO 444 Ca 0.53 1.03 -0.30 0.00 0.04 0.00 0.00 61.00 62.31 1k72 s PRO 444 Cb -0.23 -1.87 -0.02 0.00 0.04 0.00 0.00 34.50 32.42 1k72 s PRO 444 CO 0.24 -1.82 1.16 0.42 0.04 0.00 0.00 177.00 177.03 1k72 s ILE 445 N -2.93 4.43 0.21 0.56 1.01 -1.26 -4.90 121.20 118.32 1k72 s ILE 445 Ca 0.62 1.73 -0.32 0.00 0.00 0.00 0.00 60.65 62.68 1k72 s ILE 445 Cb -0.17 -4.11 -0.11 0.00 0.01 0.00 0.00 42.46 38.07 1k72 s ILE 445 CO 0.56 -0.06 1.66 -2.16 0.00 0.00 0.00 174.94 174.94 1k72 s PRO 446 N 2.66 4.15 -1.47 2.79 0.04 -1.26 -2.99 135.00 138.92 1k72 s PRO 446 Ca 0.52 2.54 -0.05 0.00 0.04 0.00 0.00 61.00 64.05 1k72 s PRO 446 Cb -0.21 -3.09 0.04 0.00 0.04 0.00 0.00 34.50 31.28 1k72 s PRO 446 CO 0.17 -0.69 0.60 0.09 0.04 0.00 0.00 177.00 177.21 1k72 n ASN 447 N 3.68 -1.57 -4.74 6.66 3.02 -1.26 -4.88 115.26 116.18 1k72 n ASN 447 Ca 0.14 -0.95 -0.42 0.00 -0.03 0.00 0.00 54.58 53.32 1k72 n ASN 447 Cb 0.36 -3.23 -0.03 0.00 -0.61 0.00 0.00 39.78 36.27 1k72 n ASN 447 CO 0.00 0.00 0.00 0.12 -2.62 0.00 0.00 177.26 174.76 1k72 s PHE 448 N -3.71 3.09 0.22 3.10 5.36 -1.16 -5.02 117.98 119.86 1k72 s PHE 448 Ca 0.23 0.97 0.01 0.00 -0.96 0.00 0.00 56.93 57.19 1k72 s PHE 448 Cb -0.12 -3.79 -0.05 0.00 -0.34 0.00 0.00 43.02 38.72 1k72 s PHE 448 CO 0.88 -2.66 0.06 0.15 -1.46 0.00 0.00 175.22 172.19 1k72 s LYS 449 N 0.09 1.28 -0.47 10.12 1.02 -1.26 -5.03 119.74 125.49 1k72 s LYS 449 Ca 0.61 -1.67 0.06 0.00 0.02 0.00 0.00 55.97 55.00 1k72 s LYS 449 Cb -0.41 -0.23 0.40 0.00 -0.52 0.00 0.00 37.83 37.06 1k72 s LYS 449 CO 0.39 -0.24 1.03 0.00 -0.92 0.00 0.00 175.35 175.61 1k72 n ALA 450 N -0.37 4.68 -2.81 5.17 0.00 0.17 -4.98 120.51 122.36 1k72 n ALA 450 Ca -0.02 -4.30 -0.43 0.00 0.00 0.00 0.00 53.44 48.68 1k72 n ALA 450 Cb 0.65 -0.65 -0.04 0.00 0.00 0.00 0.00 19.45 19.41 1k72 n ALA 450 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.50 177.92 1k72 s ILE 451 N -4.88 4.35 0.36 0.00 -1.09 -1.26 -3.25 121.20 115.44 1k72 s ILE 451 Ca 0.46 -0.25 -0.18 0.00 -2.23 0.00 0.00 60.65 58.45 1k72 s ILE 451 Cb 0.37 -4.65 -0.10 0.00 -1.58 0.00 0.00 42.46 36.50 1k72 s ILE 451 CO -0.15 -1.38 0.83 -1.61 -1.23 0.00 0.00 174.94 171.41 1k72 s GLU 452 N 4.00 4.13 0.31 2.79 2.02 -1.26 -4.98 118.70 125.71 1k72 s GLU 452 Ca 0.23 0.89 -0.29 0.00 0.02 0.00 0.00 54.97 55.83 1k72 s GLU 452 Cb -0.16 -2.36 -0.10 0.00 0.10 0.00 0.00 34.13 31.61 1k72 s GLU 452 CO 0.12 0.09 1.13 -1.59 0.02 0.00 0.00 175.26 175.04 1k72 s LYS 453 N -2.99 4.51 -0.30 1.61 0.00 -1.26 -4.96 119.74 116.35 1k72 s LYS 453 Ca 0.57 1.85 -0.29 0.00 0.00 0.00 0.00 55.97 58.10 1k72 s LYS 453 Cb -0.10 -3.08 0.01 0.00 0.00 0.00 0.00 37.83 34.66 1k72 s LYS 453 CO 0.16 0.08 1.12 0.42 0.00 0.00 0.00 175.35 177.13 1k72 s ILE 454 N -1.21 4.45 -1.77 3.79 1.01 -1.26 -4.92 121.20 121.28 1k72 s ILE 454 Ca 0.47 1.67 0.25 0.00 0.00 0.00 0.00 60.65 63.04 1k72 s ILE 454 Cb -0.32 -4.35 0.16 0.00 0.01 0.00 0.00 42.46 37.96 1k72 s ILE 454 CO 0.42 -0.45 1.40 0.35 0.00 0.00 0.00 174.94 176.66 1k72 n THR 455 N 5.87 0.00 -3.84 2.92 -2.24 -1.26 -4.88 114.28 110.85 1k72 n THR 455 Ca 0.13 -0.15 -0.12 0.00 -2.27 0.00 0.00 64.05 61.63 1k72 n THR 455 Cb 0.47 0.65 -0.12 0.00 -2.10 0.00 0.00 70.33 69.23 1k72 n THR 455 CO 0.00 0.00 0.00 0.54 -0.57 0.00 0.00 175.07 175.04 1k72 s ASN 456 N -2.54 -0.08 0.14 3.42 4.22 -1.26 -5.11 114.94 113.74 1k72 s ASN 456 Ca 0.21 0.11 -0.33 0.00 -2.14 0.00 0.00 52.86 50.71 1k72 s ASN 456 Cb 0.19 0.26 -0.12 0.00 1.28 0.00 0.00 41.25 42.85 1k72 s ASN 456 CO 0.56 -0.15 1.71 0.47 -2.04 0.00 0.00 177.10 177.65 1k72 n ASP 457 N 2.50 3.63 0.12 3.54 8.00 -1.26 -4.89 116.55 128.19 1k72 n ASP 457 Ca -0.16 1.04 -0.01 0.00 0.71 0.00 0.00 54.79 56.37 1k72 n ASP 457 Cb 0.58 -1.50 0.22 0.00 -0.02 0.00 0.00 41.12 40.41 1k72 n ASP 457 CO 0.00 0.00 0.00 -0.33 -0.39 0.00 0.00 177.20 176.48 1k72 h GLU 458 N 7.14 0.13 -3.66 -1.24 5.08 -1.93 -3.42 114.58 116.67 1k72 h GLU 458 Ca -0.45 -0.07 -0.42 0.00 -1.00 0.00 0.00 59.36 57.42 1k72 h GLU 458 Cb 1.23 0.00 -0.38 0.00 0.50 0.00 0.00 28.75 30.11 1k72 h GLU 458 CO 0.93 0.59 -0.76 0.08 -1.00 0.00 0.00 179.01 178.84 1k72 s VAL 459 N -3.96 0.30 0.35 3.13 1.01 -1.26 0.34 120.40 120.31 1k72 s VAL 459 Ca -0.03 0.16 0.04 0.00 0.00 0.00 0.00 61.98 62.14 1k72 s VAL 459 Cb 0.13 -0.47 -0.06 0.00 0.00 0.00 0.00 36.38 35.99 1k72 s VAL 459 CO 0.76 0.24 0.07 0.27 0.00 0.00 0.00 175.10 176.44 1k72 s ILE 460 N 1.93 1.11 -0.01 2.22 -4.36 -0.54 -4.66 121.20 116.89 1k72 s ILE 460 Ca 0.04 -2.00 0.01 0.00 -0.26 0.00 0.00 60.65 58.44 1k72 s ILE 460 Cb -0.12 -2.70 0.00 0.00 1.25 0.00 0.00 42.46 40.89 1k72 s ILE 460 CO -0.05 0.00 -0.04 -0.51 0.24 0.00 0.00 174.94 174.58 1k72 s ILE 461 N -3.24 0.36 0.02 8.37 2.07 -1.26 -0.94 121.20 126.58 1k72 s ILE 461 Ca 0.33 -0.15 0.08 0.00 -1.41 0.00 0.00 60.65 59.50 1k72 s ILE 461 Cb 0.07 -0.34 -0.03 0.00 0.13 0.00 0.00 42.46 42.30 1k72 s ILE 461 CO 0.15 0.13 -0.22 -0.54 -1.91 0.00 0.00 174.94 172.55 1k72 s LYS 462 N 0.19 2.04 0.15 3.50 1.02 0.32 -2.37 119.74 124.58 1k72 s LYS 462 Ca -0.02 -0.98 -0.08 0.00 0.02 0.00 0.00 55.97 54.91 1k72 s LYS 462 Cb -0.05 -2.12 -0.01 0.00 -0.52 0.00 0.00 37.83 35.13 1k72 s LYS 462 CO -0.00 0.54 0.25 0.00 -0.92 0.00 0.00 175.35 175.22 1k72 s ALA 463 N -0.81 0.02 0.15 5.17 0.00 0.14 -0.38 121.76 126.05 1k72 s ALA 463 Ca 0.13 -0.88 -0.24 0.00 0.00 0.00 0.00 51.96 50.96 1k72 s ALA 463 Cb -0.10 0.80 0.07 0.00 0.00 0.00 0.00 23.12 23.88 1k72 s ALA 463 CO 0.03 -0.61 0.72 0.20 0.00 0.00 0.00 175.76 176.09 1k72 s GLY 464 N -2.96 -0.44 -0.25 0.00 0.00 -0.43 -1.89 107.32 101.36 1k72 s GLY 464 Ca 0.16 0.40 -0.29 0.00 0.00 0.00 0.00 44.72 44.98 1k72 s GLY 464 CO -0.02 0.13 1.07 -2.27 0.00 0.00 0.00 173.10 172.02 1k72 s LEU 465 N -2.75 4.06 -0.11 0.66 2.96 0.18 -1.17 118.68 122.51 1k72 s LEU 465 Ca 0.05 1.33 0.00 0.00 -0.22 0.00 0.00 54.13 55.29 1k72 s LEU 465 Cb -0.02 -3.54 -0.25 0.00 0.50 0.00 0.00 46.19 42.88 1k72 s LEU 465 CO -0.07 -0.74 0.41 -3.20 -1.32 0.00 0.00 176.35 171.44 1k72 n ASN 466 N 6.50 1.69 -3.52 3.68 5.15 0.31 -3.24 115.26 125.84 1k72 n ASN 466 Ca 0.12 0.24 -0.18 0.00 -0.60 0.00 0.00 54.58 54.17 1k72 n ASN 466 Cb 0.46 -0.55 -0.06 0.00 -0.53 0.00 0.00 39.78 39.10 1k72 n ASN 466 CO 0.00 0.00 0.00 -0.55 1.40 0.00 0.00 177.26 178.11 1k72 s SER 467 N -6.69 -0.66 0.01 1.20 0.15 -1.06 -5.01 113.70 101.65 1k72 s SER 467 Ca -0.18 0.71 -0.08 0.00 0.70 0.00 0.00 55.95 57.11 1k72 s SER 467 Cb 0.07 0.54 0.00 0.00 -1.71 0.00 0.00 66.02 64.92 1k72 s SER 467 CO 0.78 -0.61 0.15 0.28 1.20 0.00 0.00 173.24 175.04 1k72 s THR 468 N -1.20 0.09 0.29 6.45 -1.32 -1.26 -0.82 115.64 117.88 1k72 s THR 468 Ca -0.11 -0.78 -0.16 0.00 -1.21 0.00 0.00 61.69 59.43 1k72 s THR 468 Cb -0.00 -0.61 0.02 0.00 -1.51 0.00 0.00 72.50 70.40 1k72 s THR 468 CO 0.10 -0.43 0.62 -0.83 -2.21 0.00 0.00 174.62 171.87 1k72 s GLY 469 N -1.64 0.35 0.61 6.08 0.00 -1.00 -4.99 107.32 106.74 1k72 s GLY 469 Ca -0.11 -0.70 0.30 0.00 0.00 0.00 0.00 44.72 44.21 1k72 s GLY 469 CO -0.00 -0.40 2.02 -2.55 0.00 0.00 0.00 173.10 172.17 1k72 h PRO 470 N 2.10 0.00 0.00 2.90 0.11 -1.97 -2.72 132.00 132.42 1k72 h PRO 470 Ca -0.24 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.87 1k72 h PRO 470 Cb 1.25 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.36 1k72 h PRO 470 CO 0.32 0.00 -0.07 0.27 -0.21 0.00 0.00 178.00 178.31 1k72 n ASN 471 N -3.51 1.83 -3.53 -2.05 6.94 -1.24 -4.02 115.26 109.69 1k72 n ASN 471 Ca 0.02 -2.62 -0.10 0.00 -0.02 0.00 0.00 54.58 51.87 1k72 n ASN 471 Cb 0.41 -0.29 -0.02 0.00 -2.36 0.00 0.00 39.78 37.52 1k72 n ASN 471 CO 0.00 0.00 0.00 -0.72 -1.03 0.00 0.00 177.26 175.51 1k72 s TYR 472 N -1.95 -0.42 -0.06 -2.53 -0.85 -1.03 0.82 117.35 111.32 1k72 s TYR 472 Ca 0.19 0.18 0.02 0.00 -0.52 0.00 0.00 57.07 56.94 1k72 s TYR 472 Cb 0.17 0.59 0.02 0.00 0.38 0.00 0.00 41.96 43.11 1k72 s TYR 472 CO 0.02 -0.86 -0.09 0.99 -1.52 0.00 0.00 175.55 174.09 1k72 s THR 473 N -3.65 0.88 -0.15 -3.49 2.01 -0.98 -2.37 115.64 107.90 1k72 s THR 473 Ca 0.04 -0.32 0.02 0.00 0.31 0.00 0.00 61.69 61.74 1k72 s THR 473 Cb -0.02 -0.85 0.01 0.00 0.01 0.00 0.00 72.50 71.66 1k72 s THR 473 CO -0.08 0.30 -0.21 -0.70 -0.69 0.00 0.00 174.62 173.25 1k72 s GLU 474 N 0.86 2.94 -0.00 4.92 2.12 0.00 -1.69 118.70 127.84 1k72 s GLU 474 Ca -0.11 -0.82 -0.00 0.00 0.36 0.00 0.00 54.97 54.40 1k72 s GLU 474 Cb -0.15 -2.45 -0.04 0.00 0.26 0.00 0.00 34.13 31.76 1k72 s GLU 474 CO 0.01 -0.10 0.08 0.42 -0.54 0.00 0.00 175.26 175.12 1k72 s ILE 475 N 1.04 4.68 -0.26 -3.70 -1.09 0.60 -0.53 121.20 121.93 1k72 s ILE 475 Ca -0.02 -0.44 -0.04 0.00 -2.23 0.00 0.00 60.65 57.92 1k72 s ILE 475 Cb -0.14 -3.14 0.01 0.00 -1.58 0.00 0.00 42.46 37.61 1k72 s ILE 475 CO -0.07 0.34 0.00 -0.75 -1.23 0.00 0.00 174.94 173.24 1k72 s LYS 476 N -1.75 3.09 0.07 2.79 2.20 -0.32 -1.41 119.74 124.42 1k72 s LYS 476 Ca 0.23 -0.83 0.09 0.00 -0.36 0.00 0.00 55.97 55.10 1k72 s LYS 476 Cb -0.12 -3.16 -0.03 0.00 -1.51 0.00 0.00 37.83 33.01 1k72 s LYS 476 CO 0.14 -0.36 -0.25 0.00 -0.36 0.00 0.00 175.35 174.51 1k72 s ALA 477 N 1.44 2.17 -0.09 3.13 0.00 0.08 -1.31 121.76 127.18 1k72 s ALA 477 Ca 0.03 -1.29 -0.02 0.00 0.00 0.00 0.00 51.96 50.68 1k72 s ALA 477 Cb -0.16 -0.41 0.03 0.00 0.00 0.00 0.00 23.12 22.58 1k72 s ALA 477 CO -0.01 0.50 0.01 0.08 0.00 0.00 0.00 175.76 176.33 1k72 s VAL 478 N -0.90 0.38 -0.07 0.00 1.01 0.48 -0.54 120.40 120.77 1k72 s VAL 478 Ca 0.11 0.04 -0.15 0.00 0.00 0.00 0.00 61.98 61.99 1k72 s VAL 478 Cb -0.10 -0.59 -0.05 0.00 0.00 0.00 0.00 36.38 35.64 1k72 s VAL 478 CO 0.03 0.20 0.39 -0.69 0.00 0.00 0.00 175.10 175.03 1k72 s VAL 479 N 1.96 5.15 -0.07 2.92 1.01 -0.77 -0.52 120.40 130.08 1k72 s VAL 479 Ca 0.04 0.77 0.04 0.00 0.00 0.00 0.00 61.98 62.84 1k72 s VAL 479 Cb -0.13 -3.70 -0.00 0.00 0.00 0.00 0.00 36.38 32.55 1k72 s VAL 479 CO -0.06 0.48 -0.20 -0.31 0.00 0.00 0.00 175.10 175.01 1k72 s TYR 480 N -0.36 2.12 -0.44 5.22 1.51 -0.11 -1.79 117.35 123.49 1k72 s TYR 480 Ca 0.22 -0.75 -0.18 0.00 -1.01 0.00 0.00 57.07 55.36 1k72 s TYR 480 Cb -0.15 -1.43 0.03 0.00 -0.11 0.00 0.00 41.96 40.30 1k72 s TYR 480 CO 0.10 -0.29 0.47 1.21 -1.11 0.00 0.00 175.55 175.93 1k72 s ASN 481 N 0.23 6.20 -0.28 2.29 3.84 0.11 -1.47 114.94 125.86 1k72 s ASN 481 Ca -0.11 -0.76 0.08 0.00 0.21 0.00 0.00 52.86 52.27 1k72 s ASN 481 Cb -0.15 -2.23 0.45 0.00 -0.55 0.00 0.00 41.25 38.77 1k72 s ASN 481 CO 0.05 -0.65 1.21 0.00 -2.79 0.00 0.00 177.10 174.93 1k72 n GLN 482 N 5.68 3.21 -2.09 0.43 6.02 0.15 -4.45 117.38 126.34 1k72 n GLN 482 Ca -0.07 -3.99 -0.38 0.00 -0.01 0.00 0.00 57.00 52.55 1k72 n GLN 482 Cb 0.47 -2.15 0.01 0.00 1.02 0.00 0.00 30.24 29.58 1k72 n GLN 482 CO 0.00 0.00 0.00 0.95 -1.01 0.00 0.00 177.06 177.00 1k72 s THR 483 N -4.34 2.74 0.00 5.09 -4.23 -0.96 -4.56 115.64 109.38 1k72 s THR 483 Ca 0.49 0.56 0.00 0.00 -1.18 0.00 0.00 61.69 61.56 1k72 s THR 483 Cb 0.40 -3.28 0.00 0.00 1.34 0.00 0.00 72.50 70.96 1k72 s THR 483 CO 0.02 -0.01 0.00 0.61 -0.54 0.00 0.00 174.62 174.70 1k72 n GLY 484 N 0.54 1.00 2.56 3.99 0.00 -1.26 -4.26 105.19 107.76 1k72 n GLY 484 Ca 0.08 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.86 1k72 n GLY 484 CO 0.00 0.00 0.00 0.79 0.00 0.00 0.00 173.32 174.11 1k72 n TRP 485 N 0.00 2.41 -2.93 1.61 8.01 -1.26 -3.42 117.44 121.85 1k72 n TRP 485 Ca 0.00 -3.93 -0.19 0.00 -1.31 0.00 0.00 57.50 52.07 1k72 n TRP 485 Cb 0.04 -0.47 0.02 0.00 -2.01 0.00 0.00 31.31 28.89 1k72 n TRP 485 CO 0.00 0.00 0.00 -1.25 -1.01 0.00 0.00 177.69 175.43 1k72 s PRO 486 N -2.77 2.78 0.33 -0.99 0.04 -1.23 -4.81 135.00 128.35 1k72 s PRO 486 Ca 0.43 -0.97 -0.29 0.00 0.04 0.00 0.00 61.00 60.21 1k72 s PRO 486 Cb 0.27 -2.65 -0.12 0.00 0.04 0.00 0.00 34.50 32.04 1k72 s PRO 486 CO -0.10 -0.39 1.51 0.00 0.04 0.00 0.00 177.00 178.06 1k72 n ALA 487 N -2.02 2.25 -3.47 8.56 0.00 -1.22 -4.89 120.51 119.73 1k72 n ALA 487 Ca 0.06 0.36 -0.12 0.00 0.00 0.00 0.00 53.44 53.74 1k72 n ALA 487 Cb 0.59 -2.41 -0.03 0.00 0.00 0.00 0.00 19.45 17.60 1k72 n ALA 487 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 177.50 176.52 1k72 s ARG 488 N -1.34 1.10 0.24 0.00 1.70 -1.26 -4.75 118.95 114.63 1k72 s ARG 488 Ca 0.59 -0.26 -0.30 0.00 -0.47 0.00 0.00 55.73 55.29 1k72 s ARG 488 Cb -0.50 0.51 -0.09 0.00 -0.57 0.00 0.00 34.95 34.29 1k72 s ARG 488 CO 0.57 -0.45 1.15 0.08 -1.08 0.00 0.00 175.30 175.57 1k72 s VAL 489 N -2.96 3.47 -0.45 4.99 1.01 -1.26 -4.39 120.40 120.81 1k72 s VAL 489 Ca -0.01 1.37 0.04 0.00 0.00 0.00 0.00 61.98 63.39 1k72 s VAL 489 Cb -0.01 -3.88 0.12 0.00 0.00 0.00 0.00 36.38 32.61 1k72 s VAL 489 CO -0.07 0.28 0.18 0.42 0.00 0.00 0.00 175.10 175.91 1k72 s THR 490 N -0.70 2.40 -0.47 3.92 -4.23 0.49 -4.95 115.64 112.10 1k72 s THR 490 Ca 0.48 -2.90 0.16 0.00 -1.18 0.00 0.00 61.69 58.25 1k72 s THR 490 Cb -0.33 -2.71 0.63 0.00 1.34 0.00 0.00 72.50 71.43 1k72 s THR 490 CO 0.40 -0.73 1.54 -0.90 -0.54 0.00 0.00 174.62 174.39 1k72 n ASP 491 N 3.58 4.48 -2.51 3.99 5.75 -1.25 -3.72 116.55 126.86 1k72 n ASP 491 Ca 0.05 -2.77 -0.05 0.00 -0.01 0.00 0.00 54.79 52.01 1k72 n ASP 491 Cb 0.36 -0.56 0.04 0.00 -1.03 0.00 0.00 41.12 39.94 1k72 n ASP 491 CO 0.00 0.00 0.00 0.29 -0.11 0.00 0.00 177.20 177.38 1k72 n LYS 492 N 0.24 2.03 -3.49 0.11 5.02 -1.26 -0.76 118.16 120.05 1k72 n LYS 492 Ca 0.23 -3.55 -0.37 0.00 -2.02 0.00 0.00 58.31 52.60 1k72 n LYS 492 Cb 0.93 -1.65 -0.06 0.00 -0.02 0.00 0.00 35.03 34.23 1k72 n LYS 492 CO 0.00 0.00 0.00 0.42 -0.52 0.00 0.00 177.40 177.30 1k72 s ILE 493 N -3.71 5.01 0.11 -0.18 -1.09 -1.26 -0.67 121.20 119.42 1k72 s ILE 493 Ca 0.33 0.79 -0.12 0.00 -2.23 0.00 0.00 60.65 59.43 1k72 s ILE 493 Cb 0.35 -3.71 0.01 0.00 -1.58 0.00 0.00 42.46 37.53 1k72 s ILE 493 CO -0.03 0.51 0.29 -0.94 -1.23 0.00 0.00 174.94 173.54 1k72 s SER 494 N -1.23 -0.03 0.12 3.58 1.04 -0.52 -0.21 113.70 116.44 1k72 s SER 494 Ca 0.26 -0.55 -0.06 0.00 0.48 0.00 0.00 55.95 56.09 1k72 s SER 494 Cb -0.16 0.41 -0.02 0.00 0.10 0.00 0.00 66.02 66.34 1k72 s SER 494 CO 0.15 -0.80 0.15 0.72 0.98 0.00 0.00 173.24 174.43 1k72 s PHE 495 N -3.85 0.46 -0.07 5.02 -0.12 0.28 -0.09 117.98 119.61 1k72 s PHE 495 Ca 0.06 -0.88 0.04 0.00 -0.05 0.00 0.00 56.93 56.10 1k72 s PHE 495 Cb 0.03 -0.22 -0.00 0.00 -0.63 0.00 0.00 43.02 42.21 1k72 s PHE 495 CO -0.10 -0.56 -0.20 0.15 -0.05 0.00 0.00 175.22 174.45 1k72 s LYS 496 N -3.95 2.35 -0.30 1.99 1.02 -0.78 -1.01 119.74 119.06 1k72 s LYS 496 Ca 0.14 -0.73 -0.08 0.00 0.02 0.00 0.00 55.97 55.32 1k72 s LYS 496 Cb 0.06 -1.91 0.01 0.00 -0.52 0.00 0.00 37.83 35.47 1k72 s LYS 496 CO -0.04 0.22 0.10 -0.47 -0.92 0.00 0.00 175.35 174.24 1k72 s TYR 497 N 0.20 3.16 -0.06 3.18 5.04 -0.35 -3.70 117.35 124.83 1k72 s TYR 497 Ca -0.11 -0.88 -0.15 0.00 -2.44 0.00 0.00 57.07 53.50 1k72 s TYR 497 Cb -0.15 -2.29 -0.05 0.00 0.35 0.00 0.00 41.96 39.82 1k72 s TYR 497 CO 0.05 -0.55 0.40 -0.06 -1.34 0.00 0.00 175.55 174.05 1k72 s PHE 498 N 1.53 3.63 0.07 4.97 0.40 -1.26 -1.20 117.98 126.12 1k72 s PHE 498 Ca 0.03 0.89 0.04 0.00 -0.60 0.00 0.00 56.93 57.29 1k72 s PHE 498 Cb -0.17 -2.34 -0.03 0.00 0.51 0.00 0.00 43.02 40.98 1k72 s PHE 498 CO 0.04 0.48 -0.11 -1.64 0.70 0.00 0.00 175.22 174.68 1k72 s MET 499 N -0.45 0.73 -0.40 0.44 -1.94 0.45 -1.86 119.30 116.27 1k72 s MET 499 Ca 0.23 -0.93 -0.16 0.00 -1.71 0.00 0.00 55.69 53.12 1k72 s MET 499 Cb -0.16 -0.60 0.01 0.00 2.01 0.00 0.00 34.83 36.09 1k72 s MET 499 CO 0.11 0.12 0.35 0.34 -0.01 0.00 0.00 175.02 175.93 1k72 s ASP 500 N -1.82 6.14 -0.44 3.03 -1.08 -1.25 -0.89 116.67 120.36 1k72 s ASP 500 Ca -0.03 -0.69 0.04 0.00 -0.52 0.00 0.00 52.55 51.35 1k72 s ASP 500 Cb -0.09 -2.18 0.59 0.00 -1.46 0.00 0.00 42.92 39.78 1k72 s ASP 500 CO 0.01 -0.46 1.81 0.18 0.52 0.00 0.00 175.17 177.23 1k72 n LEU 501 N 5.33 6.22 -0.33 -1.34 4.77 0.05 -4.64 117.00 127.06 1k72 n LEU 501 Ca -0.10 -3.80 0.02 0.00 -0.03 0.00 0.00 56.01 52.10 1k72 n LEU 501 Cb 0.48 -0.80 0.19 0.00 -2.33 0.00 0.00 43.42 40.96 1k72 n LEU 501 CO 0.42 1.20 1.27 0.77 -1.33 0.00 0.00 177.39 179.72 1k72 h SER 502 N 1.19 1.01 0.36 -1.43 4.64 -1.91 -1.71 113.55 115.71 1k72 h SER 502 Ca 0.53 -0.01 -0.06 0.00 -0.47 0.00 0.00 61.79 61.79 1k72 h SER 502 Cb 2.24 -0.23 -0.01 0.00 -0.31 0.00 0.00 62.40 64.09 1k72 h SER 502 CO 1.00 0.68 -0.27 1.05 -0.87 0.00 0.00 176.83 178.42 1k72 h GLU 503 N 1.16 0.00 -0.04 4.77 9.09 -1.91 -0.24 114.58 127.42 1k72 h GLU 503 Ca 0.38 0.00 -0.04 0.00 0.05 0.00 0.00 59.36 59.75 1k72 h GLU 503 Cb 0.06 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 27.16 1k72 h GLU 503 CO -0.13 0.27 -0.15 0.82 0.05 0.00 0.00 179.01 179.88 1k72 h ILE 504 N 0.00 1.47 -0.44 -1.06 1.08 -1.66 -1.97 117.51 114.92 1k72 h ILE 504 Ca -0.00 -1.59 0.02 0.00 -0.39 0.00 0.00 64.86 62.89 1k72 h ILE 504 Cb 0.53 2.41 -0.03 0.00 -3.07 0.00 0.00 36.82 36.66 1k72 h ILE 504 CO 0.04 0.44 0.27 0.58 -0.69 0.00 0.00 178.15 178.78 1k72 h VAL 505 N -0.39 1.06 -0.10 1.67 2.07 -1.19 -1.87 116.25 117.50 1k72 h VAL 505 Ca -0.01 -0.19 -0.02 0.00 0.82 0.00 0.00 66.70 67.31 1k72 h VAL 505 Cb 0.79 0.48 -0.01 0.00 -1.52 0.00 0.00 31.29 31.03 1k72 h VAL 505 CO 0.03 0.10 -0.04 0.00 0.02 0.00 0.00 177.57 177.68 1k72 h ALA 506 N 1.18 1.76 0.00 1.67 0.00 -1.01 -0.50 119.26 122.36 1k72 h ALA 506 Ca 0.17 -0.10 0.00 0.00 0.00 0.00 0.00 54.91 54.98 1k72 h ALA 506 Cb -0.01 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 17.73 1k72 h ALA 506 CO -0.07 0.19 0.00 0.00 0.00 0.00 0.00 179.25 179.37 1k72 n ALA 507 N -2.51 2.54 -2.46 0.00 0.00 -0.75 -4.90 120.51 112.43 1k72 n ALA 507 Ca -0.01 -0.17 -0.03 0.00 0.00 0.00 0.00 53.44 53.22 1k72 n ALA 507 Cb 0.17 -1.48 0.01 0.00 0.00 0.00 0.00 19.45 18.15 1k72 n ALA 507 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1k72 n GLY 508 N 0.99 0.57 3.25 0.00 0.00 -0.20 -5.06 105.19 104.75 1k72 n GLY 508 Ca 0.19 -0.61 -0.31 0.00 0.00 0.00 0.00 46.02 45.29 1k72 n GLY 508 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1k72 s ILE 509 N -2.75 2.00 -0.05 -0.61 -1.09 -0.75 -5.04 121.20 112.91 1k72 s ILE 509 Ca 0.06 -1.03 -0.29 0.00 -2.23 0.00 0.00 60.65 57.15 1k72 s ILE 509 Cb -0.03 -1.70 -0.07 0.00 -1.58 0.00 0.00 42.46 39.08 1k72 s ILE 509 CO 0.07 0.56 1.99 -0.62 -1.23 0.00 0.00 174.94 175.70 1k72 s ASP 510 N -0.09 6.21 0.42 3.58 2.15 -1.26 -3.81 116.67 123.86 1k72 s ASP 510 Ca -0.05 2.37 0.16 0.00 0.43 0.00 0.00 52.55 55.45 1k72 s ASP 510 Cb -0.14 -2.53 0.90 0.00 -0.30 0.00 0.00 42.92 40.86 1k72 s ASP 510 CO 0.04 -1.29 1.91 1.55 -0.17 0.00 0.00 175.17 177.21 1k72 h PRO 511 N 11.67 0.00 0.00 4.34 0.13 -1.93 -1.90 132.00 144.31 1k72 h PRO 511 Ca -0.46 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.67 1k72 h PRO 511 Cb 1.23 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.36 1k72 h PRO 511 CO 0.95 0.28 0.00 1.28 -0.23 0.00 0.00 178.00 180.28 1k72 n LEU 512 N -4.07 0.00 -0.19 1.56 4.77 -1.26 -3.18 117.00 114.63 1k72 n LEU 512 Ca -0.02 0.19 0.12 0.00 -0.03 0.00 0.00 56.01 56.26 1k72 n LEU 512 Cb 0.34 -0.19 0.14 0.00 -2.33 0.00 0.00 43.42 41.38 1k72 n LEU 512 CO 0.37 -0.03 0.36 -1.54 -1.33 0.00 0.00 177.39 175.22 1k72 n SER 513 N -1.19 1.14 -4.76 -1.43 3.41 -0.71 -4.50 113.62 105.58 1k72 n SER 513 Ca 0.15 -0.92 -0.41 0.00 -0.26 0.00 0.00 58.87 57.44 1k72 n SER 513 Cb 0.17 0.44 -0.01 0.00 -0.26 0.00 0.00 64.21 64.55 1k72 n SER 513 CO 0.00 0.00 0.00 -0.76 -0.16 0.00 0.00 175.04 174.12 1k72 s LEU 514 N -2.73 4.36 -0.02 1.04 1.43 -1.19 -4.93 118.68 116.63 1k72 s LEU 514 Ca 0.16 2.87 -0.30 0.00 -1.03 0.00 0.00 54.13 55.83 1k72 s LEU 514 Cb 0.18 -3.65 -0.04 0.00 0.03 0.00 0.00 46.19 42.71 1k72 s LEU 514 CO 0.66 -0.78 1.18 -0.69 0.23 0.00 0.00 176.35 176.95 1k72 s VAL 515 N -0.57 4.25 0.08 -1.59 1.01 -1.21 -4.44 120.40 117.92 1k72 s VAL 515 Ca 0.56 1.59 0.07 0.00 0.00 0.00 0.00 61.98 64.20 1k72 s VAL 515 Cb -0.44 -4.02 -0.04 0.00 0.00 0.00 0.00 36.38 31.88 1k72 s VAL 515 CO 0.53 0.04 -0.12 0.42 0.00 0.00 0.00 175.10 175.96 1k72 s THR 516 N 1.85 3.22 0.23 3.92 -4.23 -1.26 -1.43 115.64 117.95 1k72 s THR 516 Ca 0.56 -1.21 -0.22 0.00 -1.18 0.00 0.00 61.69 59.64 1k72 s THR 516 Cb -0.26 -2.46 0.04 0.00 1.34 0.00 0.00 72.50 71.16 1k72 s THR 516 CO 0.24 0.20 0.74 -0.94 -0.54 0.00 0.00 174.62 174.32 1k72 s SER 517 N -1.93 -0.31 -0.12 3.99 1.04 -0.66 -4.97 113.70 110.73 1k72 s SER 517 Ca 0.19 -0.45 -0.03 0.00 0.48 0.00 0.00 55.95 56.15 1k72 s SER 517 Cb -0.11 0.66 0.04 0.00 0.10 0.00 0.00 66.02 66.71 1k72 s SER 517 CO 0.11 -1.19 0.04 -0.55 0.98 0.00 0.00 173.24 172.63 1k72 s SER 518 N -2.88 2.02 0.02 7.02 0.15 -1.26 -0.20 113.70 118.57 1k72 s SER 518 Ca 0.09 -0.36 0.28 0.00 0.70 0.00 0.00 55.95 56.66 1k72 s SER 518 Cb -0.04 -0.40 1.04 0.00 -1.71 0.00 0.00 66.02 64.91 1k72 s SER 518 CO 0.02 -0.26 1.80 -0.46 1.20 0.00 0.00 173.24 175.54 1k72 n ASN 519 N 5.17 0.19 -3.64 5.45 6.94 -1.25 -4.82 115.26 123.30 1k72 n ASN 519 Ca -0.07 0.36 -0.07 0.00 -0.02 0.00 0.00 54.58 54.78 1k72 n ASN 519 Cb 0.49 -0.37 -0.07 0.00 -2.36 0.00 0.00 39.78 37.47 1k72 n ASN 519 CO 0.00 0.00 0.00 -0.47 -1.03 0.00 0.00 177.26 175.76 1k72 s TYR 520 N -3.01 -0.93 -0.00 -2.53 5.04 -1.26 -5.05 117.35 109.60 1k72 s TYR 520 Ca 0.13 1.90 0.01 0.00 -2.44 0.00 0.00 57.07 56.67 1k72 s TYR 520 Cb 0.18 0.54 -0.00 0.00 0.35 0.00 0.00 41.96 43.03 1k72 s TYR 520 CO 0.57 -0.46 -0.04 -1.12 -1.34 0.00 0.00 175.55 173.16 1k72 s SER 521 N 1.44 0.51 -0.04 4.32 0.01 -1.26 -0.30 113.70 118.36 1k72 s SER 521 Ca -0.09 -0.08 -0.21 0.00 1.31 0.00 0.00 55.95 56.89 1k72 s SER 521 Cb -0.05 -0.07 -0.32 0.00 0.21 0.00 0.00 66.02 65.80 1k72 s SER 521 CO -0.17 0.05 0.88 -0.08 0.41 0.00 0.00 173.24 174.33 1k72 h GLU 522 N 6.10 0.32 -6.46 12.44 4.81 -1.01 -3.47 114.58 127.30 1k72 h GLU 522 Ca -0.28 -0.54 -0.52 0.00 -0.13 0.00 0.00 59.36 57.89 1k72 h GLU 522 Cb 1.19 0.20 -0.01 0.00 0.63 0.00 0.00 28.75 30.76 1k72 h GLU 522 CO 0.50 1.26 -0.16 0.20 -0.73 0.00 0.00 179.01 180.08 1k72 s GLY 523 N -4.48 1.88 0.36 1.92 0.00 -1.26 -4.99 107.32 100.74 1k72 s GLY 523 Ca -0.14 -0.57 0.27 0.00 0.00 0.00 0.00 44.72 44.29 1k72 s GLY 523 CO 0.84 -0.47 1.80 0.50 0.00 0.00 0.00 173.10 175.77 1k72 h LYS 524 N 1.77 0.00 -0.02 2.90 6.56 -1.99 -3.13 116.57 122.66 1k72 h LYS 524 Ca -0.48 0.00 0.00 0.00 -1.06 0.00 0.00 60.65 59.11 1k72 h LYS 524 Cb 1.19 0.00 0.00 0.00 -0.57 0.00 0.00 32.23 32.85 1k72 h LYS 524 CO 0.67 0.00 -0.27 0.09 -2.06 0.00 0.00 179.45 177.88 1k72 n ASN 525 N -2.56 2.30 -4.71 0.86 3.02 -1.26 -4.98 115.26 107.93 1k72 n ASN 525 Ca 0.02 -1.65 -0.42 0.00 -0.03 0.00 0.00 54.58 52.50 1k72 n ASN 525 Cb 0.30 0.29 -0.03 0.00 -0.61 0.00 0.00 39.78 39.73 1k72 n ASN 525 CO 0.00 0.00 0.00 -0.89 -2.62 0.00 0.00 177.26 173.75 1k72 s THR 526 N -2.15 2.42 -0.07 3.41 2.01 -1.19 -4.68 115.64 115.39 1k72 s THR 526 Ca 0.21 0.17 0.02 0.00 0.31 0.00 0.00 61.69 62.39 1k72 s THR 526 Cb 0.18 -3.11 0.02 0.00 0.01 0.00 0.00 72.50 69.60 1k72 s THR 526 CO 0.43 0.01 -0.10 -0.54 -0.69 0.00 0.00 174.62 173.73 1k72 s LYS 527 N 1.82 1.56 -0.24 4.92 1.02 -0.43 -4.98 119.74 123.41 1k72 s LYS 527 Ca 0.76 -0.34 -0.05 0.00 0.02 0.00 0.00 55.97 56.35 1k72 s LYS 527 Cb -0.46 -1.38 -0.01 0.00 -0.52 0.00 0.00 37.83 35.46 1k72 s LYS 527 CO 0.33 -0.05 0.01 0.08 -0.92 0.00 0.00 175.35 174.81 1k72 s VAL 528 N 0.91 3.77 0.99 3.17 1.01 -1.26 -0.67 120.40 128.32 1k72 s VAL 528 Ca -0.10 -0.41 -0.14 0.00 0.00 0.00 0.00 61.98 61.33 1k72 s VAL 528 Cb -0.15 -2.77 0.18 0.00 0.00 0.00 0.00 36.38 33.65 1k72 s VAL 528 CO 0.01 0.35 1.15 -0.94 0.00 0.00 0.00 175.10 175.67 1k72 s SER 529 N 1.53 2.83 0.85 3.32 1.04 -0.29 -4.95 113.70 118.03 1k72 s SER 529 Ca 0.06 0.84 -0.05 0.00 0.48 0.00 0.00 55.95 57.28 1k72 s SER 529 Cb -0.15 -1.30 0.09 0.00 0.10 0.00 0.00 66.02 64.76 1k72 s SER 529 CO -0.00 -2.96 0.54 0.61 0.98 0.00 0.00 173.24 172.41 1k72 n GLY 530 N -2.00 -0.64 3.71 7.32 0.00 -1.26 -4.67 105.19 107.66 1k72 n GLY 530 Ca 0.09 -1.79 -0.42 0.00 0.00 0.00 0.00 46.02 43.90 1k72 n GLY 530 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1k72 s VAL 531 N -1.95 3.49 0.09 1.61 1.01 -1.26 -4.55 120.40 118.84 1k72 s VAL 531 Ca 0.32 1.06 0.10 0.00 0.00 0.00 0.00 61.98 63.46 1k72 s VAL 531 Cb -0.01 -3.68 -0.03 0.00 0.00 0.00 0.00 36.38 32.66 1k72 s VAL 531 CO 0.22 0.07 -0.26 -0.76 0.00 0.00 0.00 175.10 174.37 1k72 s LEU 532 N 1.23 2.25 0.33 3.92 1.43 0.13 -4.75 118.68 123.21 1k72 s LEU 532 Ca 0.63 -0.67 -0.27 0.00 -1.03 0.00 0.00 54.13 52.79 1k72 s LEU 532 Cb -0.35 -1.24 -0.09 0.00 0.03 0.00 0.00 46.19 44.54 1k72 s LEU 532 CO 0.30 0.21 1.02 -2.16 0.23 0.00 0.00 176.35 175.94 1k72 s PRO 533 N -1.68 4.49 0.01 1.29 0.04 -1.26 -0.54 135.00 137.35 1k72 s PRO 533 Ca 0.13 1.52 -0.03 0.00 0.04 0.00 0.00 61.00 62.66 1k72 s PRO 533 Cb -0.10 -2.86 -0.02 0.00 0.04 0.00 0.00 34.50 31.56 1k72 s PRO 533 CO 0.04 0.15 -0.07 1.87 0.04 0.00 0.00 177.00 179.03 1k72 n TRP 534 N 0.60 0.00 -3.35 0.56 -0.00 -0.57 -4.82 117.44 109.87 1k72 n TRP 534 Ca 0.02 0.00 -0.25 0.00 -0.00 0.00 0.00 57.50 57.27 1k72 n TRP 534 Cb 0.48 -0.13 -0.09 0.00 -0.00 0.00 0.00 31.31 31.57 1k72 n TRP 534 CO 0.00 0.00 0.00 0.34 -0.00 0.00 0.00 177.69 178.03 1k72 s ASP 535 N -5.79 1.42 0.37 5.87 3.68 -0.83 -5.01 116.67 116.38 1k72 s ASP 535 Ca -0.06 -2.70 0.07 0.00 2.13 0.00 0.00 52.55 51.98 1k72 s ASP 535 Cb 0.01 -0.17 0.78 0.00 -1.45 0.00 0.00 42.92 42.09 1k72 s ASP 535 CO 0.08 -0.19 1.97 1.62 0.13 0.00 0.00 175.17 178.78 1k72 h VAL 536 N 4.76 1.02 -0.61 1.11 3.04 -1.92 -1.06 116.25 122.58 1k72 h VAL 536 Ca 0.20 -0.24 0.11 0.00 -1.01 0.00 0.00 66.70 65.76 1k72 h VAL 536 Cb 0.95 0.24 -0.04 0.00 -2.01 0.00 0.00 31.29 30.43 1k72 h VAL 536 CO 0.31 0.13 0.41 0.28 -1.01 0.00 0.00 177.57 177.69 1k72 h SER 537 N 0.71 0.32 -0.34 3.17 0.02 -1.95 -0.34 113.55 115.14 1k72 h SER 537 Ca 0.30 0.01 0.00 0.00 -0.84 0.00 0.00 61.79 61.26 1k72 h SER 537 Cb 0.26 -0.06 0.00 0.00 0.14 0.00 0.00 62.40 62.75 1k72 h SER 537 CO -0.10 0.19 0.00 0.59 -1.14 0.00 0.00 176.83 176.37 1k72 n ASN 538 N -4.46 4.05 -2.25 3.07 4.13 -0.56 -4.97 115.26 114.28 1k72 n ASN 538 Ca 0.10 -2.81 -0.21 0.00 1.68 0.00 0.00 54.58 53.35 1k72 n ASN 538 Cb 0.43 -0.52 -0.02 0.00 -1.54 0.00 0.00 39.78 38.12 1k72 n ASN 538 CO 0.00 0.00 0.00 0.59 0.28 0.00 0.00 177.26 178.13 1k72 n ASN 539 N -0.08 -5.84 -4.67 6.41 3.02 -0.14 -4.89 115.26 109.07 1k72 n ASN 539 Ca 0.21 0.07 -0.38 0.00 -0.03 0.00 0.00 54.58 54.45 1k72 n ASN 539 Cb 0.86 -4.90 -0.08 0.00 -0.61 0.00 0.00 39.78 35.06 1k72 n ASN 539 CO 0.00 0.00 0.00 -0.69 -2.62 0.00 0.00 177.26 173.95 1k72 s VAL 540 N -3.00 5.23 0.32 2.41 1.01 -0.51 -0.77 120.40 125.09 1k72 s VAL 540 Ca 0.00 0.62 0.03 0.00 0.00 0.00 0.00 61.98 62.63 1k72 s VAL 540 Cb 0.00 -3.69 -0.05 0.00 0.00 0.00 0.00 36.38 32.64 1k72 s VAL 540 CO 0.00 0.28 0.08 -0.31 0.00 0.00 0.00 175.10 175.15 1k72 s TYR 541 N 1.21 1.82 0.18 5.22 1.51 -0.06 -1.52 117.35 125.71 1k72 s TYR 541 Ca 0.17 -1.08 -0.18 0.00 -1.01 0.00 0.00 57.07 54.98 1k72 s TYR 541 Cb -0.14 -1.15 0.03 0.00 -0.11 0.00 0.00 41.96 40.58 1k72 s TYR 541 CO 0.07 -0.14 0.51 1.52 -1.11 0.00 0.00 175.55 176.40 1k72 s TYR 542 N -3.42 -0.16 -0.10 2.71 -0.85 0.30 -0.41 117.35 115.43 1k72 s TYR 542 Ca 0.35 -0.17 0.02 0.00 -0.52 0.00 0.00 57.07 56.74 1k72 s TYR 542 Cb 0.08 0.39 -0.02 0.00 0.38 0.00 0.00 41.96 42.79 1k72 s TYR 542 CO 0.15 -0.89 -0.15 0.08 -1.52 0.00 0.00 175.55 173.22 1k72 s VAL 543 N -3.86 2.87 -0.21 -3.49 1.01 -0.34 -0.69 120.40 115.69 1k72 s VAL 543 Ca 0.08 -0.75 -0.10 0.00 0.00 0.00 0.00 61.98 61.21 1k72 s VAL 543 Cb -0.01 -2.16 -0.05 0.00 0.00 0.00 0.00 36.38 34.16 1k72 s VAL 543 CO -0.05 0.55 0.15 0.21 0.00 0.00 0.00 175.10 175.96 1k72 s ASN 544 N 0.07 6.19 -0.23 3.32 3.84 -1.26 -1.21 114.94 125.66 1k72 s ASN 544 Ca -0.06 0.21 -0.02 0.00 0.21 0.00 0.00 52.86 53.19 1k72 s ASN 544 Cb -0.15 -2.10 0.01 0.00 -0.55 0.00 0.00 41.25 38.46 1k72 s ASN 544 CO 0.05 0.13 -0.07 -0.69 -2.79 0.00 0.00 177.10 173.73 1k72 s VAL 545 N 0.64 2.97 -0.17 -5.21 1.01 -0.18 -1.14 120.40 118.31 1k72 s VAL 545 Ca 0.08 -0.82 -0.05 0.00 0.00 0.00 0.00 61.98 61.19 1k72 s VAL 545 Cb -0.12 -2.42 -0.03 0.00 0.00 0.00 0.00 36.38 33.80 1k72 s VAL 545 CO 0.01 0.32 0.01 -0.62 0.00 0.00 0.00 175.10 174.81 1k72 s ASP 546 N 1.38 5.10 -0.10 3.32 -1.08 0.16 -0.56 116.67 124.89 1k72 s ASP 546 Ca 0.03 -0.07 0.13 0.00 -0.52 0.00 0.00 52.55 52.12 1k72 s ASP 546 Cb -0.15 -1.86 0.38 0.00 -1.46 0.00 0.00 42.92 39.83 1k72 s ASP 546 CO -0.05 0.15 1.30 0.18 0.52 0.00 0.00 175.17 177.26 1k72 n LEU 547 N 3.69 3.22 -4.71 -1.34 4.77 0.71 -1.32 117.00 122.02 1k72 n LEU 547 Ca -0.17 -2.59 -0.43 0.00 -0.03 0.00 0.00 56.01 52.79 1k72 n LEU 547 Cb 0.52 -0.38 -0.03 0.00 -2.33 0.00 0.00 43.42 41.21 1k72 n LEU 547 CO 0.33 0.68 1.27 0.41 -1.33 0.00 0.00 177.39 178.75 1k72 n THR 548 N -0.27 0.30 0.00 -5.08 -1.04 -1.19 -1.80 114.28 105.20 1k72 n THR 548 Ca 0.15 -0.07 0.00 0.00 -2.04 0.00 0.00 64.05 62.09 1k72 n THR 548 Cb 0.65 -1.82 0.00 0.00 -1.82 0.00 0.00 70.33 67.34 1k72 n THR 548 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 1k72 n GLY 549 N 3.28 2.69 3.70 3.41 0.00 0.06 -4.79 105.19 113.54 1k72 n GLY 549 Ca 0.14 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.74 1k72 n GLY 549 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1k72 s GLU 550 N -0.41 4.40 -1.49 1.61 0.41 -0.75 -4.94 118.70 117.52 1k72 s GLU 550 Ca 0.00 1.65 -0.12 0.00 -0.41 0.00 0.00 54.97 56.09 1k72 s GLU 550 Cb 0.00 -3.50 0.01 0.00 -1.78 0.00 0.00 34.13 28.87 1k72 s GLU 550 CO 0.00 -0.35 2.47 -1.71 -0.49 0.00 0.00 175.26 175.18 1k72 n ASN 551 N 4.74 5.98 -4.69 -0.19 5.15 -1.26 -3.87 115.26 121.11 1k72 n ASN 551 Ca 0.10 -2.79 -0.42 0.00 -0.60 0.00 0.00 54.58 50.86 1k72 n ASN 551 Cb 0.47 -1.59 -0.03 0.00 -0.53 0.00 0.00 39.78 38.10 1k72 n ASN 551 CO 0.00 0.00 0.00 -0.63 1.40 0.00 0.00 177.26 178.03 1k72 s ILE 552 N 2.29 4.80 0.03 -1.44 1.01 -1.24 -4.93 121.20 121.72 1k72 s ILE 552 Ca 0.55 2.04 -0.07 0.00 0.00 0.00 0.00 60.65 63.17 1k72 s ILE 552 Cb 0.15 -4.31 -0.00 0.00 0.01 0.00 0.00 42.46 38.31 1k72 s ILE 552 CO -0.07 0.03 0.13 -0.72 0.00 0.00 0.00 174.94 174.31 1k72 s TYR 553 N 1.87 0.13 -1.46 3.97 -0.85 -0.85 -0.38 117.35 119.77 1k72 s TYR 553 Ca 0.49 -0.36 -0.14 0.00 -0.52 0.00 0.00 57.07 56.53 1k72 s TYR 553 Cb -0.19 -0.09 0.03 0.00 0.38 0.00 0.00 41.96 42.09 1k72 s TYR 553 CO 0.19 -0.37 2.29 -0.35 -1.52 0.00 0.00 175.55 175.79 1k72 n PRO 554 N 0.87 2.90 -1.09 -3.49 -0.04 -1.26 -2.23 135.00 130.67 1k72 n PRO 554 Ca -0.20 -2.55 0.00 0.00 -0.04 0.00 0.00 63.50 60.71 1k72 n PRO 554 Cb 0.58 -3.24 -0.01 0.00 -0.04 0.00 0.00 33.50 30.79 1k72 n PRO 554 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1k72 n GLY 555 N 4.06 0.78 0.00 0.55 0.00 -1.04 -4.32 105.19 105.22 1k72 n GLY 555 Ca 0.54 -0.40 0.00 0.00 0.00 0.00 0.00 46.02 46.16 1k72 n GLY 555 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1k72 n GLY 556 N 0.24 2.16 0.33 -0.02 0.00 -0.88 -4.35 105.19 102.66 1k72 n GLY 556 Ca -0.03 -0.82 -0.06 0.00 0.00 0.00 0.00 46.02 45.11 1k72 n GLY 556 CO 0.00 0.00 0.00 1.46 0.00 0.00 0.00 173.32 174.78 1k72 h GLN 557 N 0.00 1.15 0.06 1.61 1.08 -1.81 -1.85 115.11 115.35 1k72 h GLN 557 Ca 0.00 -0.18 -0.30 0.00 -1.45 0.00 0.00 58.65 56.72 1k72 h GLN 557 Cb 0.00 -0.20 -0.03 0.00 -0.05 0.00 0.00 27.48 27.20 1k72 h GLN 557 CO 0.00 0.90 -1.61 0.77 -0.95 0.00 0.00 178.83 177.94 1k72 h SER 558 N 1.12 0.21 -0.85 1.46 0.02 -1.94 -3.37 113.55 110.20 1k72 h SER 558 Ca 0.27 -0.35 -0.02 0.00 -0.84 0.00 0.00 61.79 60.84 1k72 h SER 558 Cb 0.15 -0.07 -0.04 0.00 0.14 0.00 0.00 62.40 62.58 1k72 h SER 558 CO -0.03 1.31 0.46 0.00 -1.14 0.00 0.00 176.83 177.42 1k72 h ALA 559 N 0.66 1.19 -0.00 3.77 0.00 -1.81 -3.11 119.26 119.96 1k72 h ALA 559 Ca -0.26 -0.13 0.00 0.00 0.00 0.00 0.00 54.91 54.52 1k72 h ALA 559 Cb 1.99 -0.34 0.00 0.00 0.00 0.00 0.00 17.79 19.44 1k72 h ALA 559 CO 0.12 0.64 -0.06 0.00 0.00 0.00 0.00 179.25 179.95 1k72 s ARG 561 N -2.38 0.71 -0.07 0.00 1.70 -1.18 0.07 118.95 117.81 1k72 s ARG 561 Ca 0.33 -1.26 -0.03 0.00 -0.47 0.00 0.00 55.73 54.29 1k72 s ARG 561 Cb 0.20 0.01 0.04 0.00 -0.57 0.00 0.00 34.95 34.64 1k72 s ARG 561 CO 0.44 -0.07 0.14 1.03 -1.08 0.00 0.00 175.30 175.77 1k72 s ARG 562 N -3.84 0.02 -0.02 3.89 1.81 -0.74 -4.91 118.95 115.17 1k72 s ARG 562 Ca 0.09 0.51 -0.15 0.00 -1.72 0.00 0.00 55.73 54.46 1k72 s ARG 562 Cb 0.06 -0.29 -0.06 0.00 -0.45 0.00 0.00 34.95 34.21 1k72 s ARG 562 CO -0.07 -0.29 0.40 -2.00 -0.68 0.00 0.00 175.30 172.65 1k72 s GLU 563 N 2.12 3.94 -0.03 3.54 2.12 -1.26 -1.85 118.70 127.27 1k72 s GLU 563 Ca 0.02 0.39 -0.01 0.00 0.36 0.00 0.00 54.97 55.73 1k72 s GLU 563 Cb -0.12 -3.24 0.03 0.00 0.26 0.00 0.00 34.13 31.06 1k72 s GLU 563 CO -0.05 0.65 0.05 0.08 -0.54 0.00 0.00 175.26 175.45 1k72 s VAL 564 N -0.93 -0.08 -0.15 3.70 1.01 0.30 -0.28 120.40 123.96 1k72 s VAL 564 Ca 0.23 0.28 -0.04 0.00 0.00 0.00 0.00 61.98 62.45 1k72 s VAL 564 Cb -0.16 -0.12 -0.03 0.00 0.00 0.00 0.00 36.38 36.07 1k72 s VAL 564 CO 0.13 0.12 -0.02 -1.10 0.00 0.00 0.00 175.10 174.22 1k72 s GLN 565 N 1.43 3.67 0.04 2.72 -0.21 0.59 -0.74 119.66 127.15 1k72 s GLN 565 Ca -0.05 -0.49 0.01 0.00 0.02 0.00 0.00 55.36 54.85 1k72 s GLN 565 Cb -0.13 -2.95 -0.03 0.00 1.00 0.00 0.00 33.01 30.91 1k72 s GLN 565 CO -0.03 0.28 -0.05 -0.59 -2.12 0.00 0.00 175.29 172.78 1k72 s PHE 566 N 0.27 0.49 0.02 0.91 -0.12 -0.50 -3.81 117.98 115.26 1k72 s PHE 566 Ca -0.02 -0.61 0.03 0.00 -0.05 0.00 0.00 56.93 56.28 1k72 s PHE 566 Cb -0.14 -0.32 -0.02 0.00 -0.63 0.00 0.00 43.02 41.92 1k72 s PHE 566 CO 0.02 -0.17 -0.09 0.50 -0.05 0.00 0.00 175.22 175.43 1k72 s ARG 567 N -1.98 0.66 -0.09 1.99 3.52 0.72 -0.29 118.95 123.48 1k72 s ARG 567 Ca -0.09 -0.56 0.03 0.00 -0.13 0.00 0.00 55.73 54.98 1k72 s ARG 567 Cb -0.07 -0.59 0.01 0.00 -1.56 0.00 0.00 34.95 32.74 1k72 s ARG 567 CO -0.02 0.14 -0.19 0.42 -0.81 0.00 0.00 175.30 174.85 1k72 s ILE 568 N -0.74 1.67 -0.01 4.11 1.09 -0.68 -1.66 121.20 124.97 1k72 s ILE 568 Ca -0.01 -0.78 0.05 0.00 -1.10 0.00 0.00 60.65 58.80 1k72 s ILE 568 Cb -0.06 -1.47 -0.01 0.00 -1.06 0.00 0.00 42.46 39.85 1k72 s ILE 568 CO 0.00 0.47 -0.16 0.00 -0.10 0.00 0.00 174.94 175.15 1k72 s ALA 569 N 0.54 1.36 0.79 9.38 0.00 -0.51 -2.31 121.76 131.01 1k72 s ALA 569 Ca -0.16 -0.72 -0.10 0.00 0.00 0.00 0.00 51.96 50.98 1k72 s ALA 569 Cb -0.17 -0.34 0.09 0.00 0.00 0.00 0.00 23.12 22.71 1k72 s ALA 569 CO 0.06 0.33 1.13 0.00 0.00 0.00 0.00 175.76 177.28 1k72 s ALA 570 N -0.43 2.82 0.50 0.00 0.00 0.24 -3.35 121.76 121.55 1k72 s ALA 570 Ca 0.06 -0.90 -0.22 0.00 0.00 0.00 0.00 51.96 50.90 1k72 s ALA 570 Cb -0.06 -2.75 -0.07 0.00 0.00 0.00 0.00 23.12 20.23 1k72 s ALA 570 CO -0.00 -1.65 1.11 -2.30 0.00 0.00 0.00 175.76 172.91 1k72 n PRO 571 N -3.22 1.38 -1.68 0.00 -0.02 -1.26 -4.86 135.00 125.33 1k72 n PRO 571 Ca 0.10 0.51 -0.43 0.00 -2.02 0.00 0.00 63.50 61.65 1k72 n PRO 571 Cb 0.61 -2.25 -0.01 0.00 -0.02 0.00 0.00 33.50 31.83 1k72 n PRO 571 CO 0.00 0.00 0.00 0.94 1.98 0.00 0.00 175.50 178.42 1k72 n GLN 572 N -0.45 2.04 -0.04 -0.52 7.27 -1.26 -2.07 117.38 122.35 1k72 n GLN 572 Ca 0.10 0.72 0.00 0.00 0.07 0.00 0.00 57.00 57.89 1k72 n GLN 572 Cb 0.43 -2.30 0.00 0.00 2.41 0.00 0.00 30.24 30.78 1k72 n GLN 572 CO 0.00 0.00 0.00 0.41 0.07 0.00 0.00 177.06 177.54 1k72 n GLY 573 N 1.13 2.63 3.91 1.69 0.00 -1.26 -5.03 105.19 108.26 1k72 n GLY 573 Ca 0.07 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.81 1k72 n GLY 573 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1k72 s THR 574 N -2.94 3.90 -0.03 2.61 -4.23 -0.88 -5.03 115.64 109.05 1k72 s THR 574 Ca 0.00 0.16 0.04 0.00 -1.18 0.00 0.00 61.69 60.70 1k72 s THR 574 Cb 0.00 -3.55 0.06 0.00 1.34 0.00 0.00 72.50 70.35 1k72 s THR 574 CO 0.00 -0.59 1.00 0.35 -0.54 0.00 0.00 174.62 174.83 1k72 n THR 575 N -2.60 0.40 0.97 3.99 -2.24 -1.26 -3.72 114.28 109.82 1k72 n THR 575 Ca 0.04 -0.47 0.11 0.00 -2.27 0.00 0.00 64.05 61.46 1k72 n THR 575 Cb 0.57 0.38 0.06 0.00 -2.10 0.00 0.00 70.33 69.24 1k72 n THR 575 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1k72 n TYR 576 N -0.30 0.02 -1.65 4.78 0.18 -1.26 -4.93 117.16 113.99 1k72 n TYR 576 Ca 0.03 0.00 -0.48 0.00 1.88 0.00 0.00 57.90 59.33 1k72 n TYR 576 Cb 0.67 -0.15 -0.05 0.00 -0.38 0.00 0.00 39.34 39.43 1k72 n TYR 576 CO 0.00 0.00 0.00 1.87 -2.08 0.00 0.00 176.86 176.65 1k72 n TRP 577 N -1.53 2.09 -3.84 -3.48 -0.00 -1.26 -4.86 117.44 104.57 1k72 n TRP 577 Ca 0.05 0.33 -0.30 0.00 -0.00 0.00 0.00 57.50 57.58 1k72 n TRP 577 Cb 0.34 -2.51 -0.15 0.00 -0.00 0.00 0.00 31.31 28.99 1k72 n TRP 577 CO 0.00 0.00 0.00 1.21 -0.00 0.00 0.00 177.69 178.90 1k72 s ASN 578 N 1.35 4.07 0.24 5.87 2.47 -1.26 -4.92 114.94 122.76 1k72 s ASN 578 Ca 0.83 -1.60 0.26 0.00 0.42 0.00 0.00 52.86 52.77 1k72 s ASN 578 Cb -0.76 -1.08 0.83 0.00 -1.45 0.00 0.00 41.25 38.79 1k72 s ASN 578 CO 0.43 -0.36 1.76 1.55 -3.72 0.00 0.00 177.10 176.76 1k72 h PRO 579 N 7.97 0.00 0.00 0.43 0.13 -1.94 -3.32 132.00 135.27 1k72 h PRO 579 Ca -0.12 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.01 1k72 h PRO 579 Cb 1.04 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.17 1k72 h PRO 579 CO 0.46 0.00 0.00 0.87 -0.23 0.00 0.00 178.00 179.10 1k72 h LYS 580 N 0.00 0.00 -0.61 0.86 1.57 -1.95 -1.33 116.57 115.10 1k72 h LYS 580 Ca 0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 1k72 h LYS 580 Cb 0.68 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.99 1k72 h LYS 580 CO 0.00 0.00 0.00 0.27 -0.57 0.00 0.00 179.45 179.15 1k72 n ASN 581 N -2.69 3.92 -4.67 0.86 6.94 -1.25 -4.90 115.26 113.47 1k72 n ASN 581 Ca 0.00 -2.14 -0.40 0.00 -0.02 0.00 0.00 54.58 52.02 1k72 n ASN 581 Cb 0.20 -0.46 -0.06 0.00 -2.36 0.00 0.00 39.78 37.10 1k72 n ASN 581 CO 0.00 0.00 0.00 -1.81 -1.03 0.00 0.00 177.26 174.42 1k72 s ASP 582 N -1.02 6.73 0.22 0.53 1.01 -0.50 -3.97 116.67 119.66 1k72 s ASP 582 Ca 0.44 0.88 -0.10 0.00 0.71 0.00 0.00 52.55 54.48 1k72 s ASP 582 Cb 0.25 -2.35 0.32 0.00 1.01 0.00 0.00 42.92 42.14 1k72 s ASP 582 CO 0.26 -0.22 1.67 0.15 0.21 0.00 0.00 175.17 177.25 1k72 h PHE 583 N 7.29 0.04 0.00 4.23 3.57 -1.86 -1.73 116.94 128.48 1k72 h PHE 583 Ca -0.34 0.04 0.00 0.00 3.53 0.00 0.00 57.97 61.20 1k72 h PHE 583 Cb 1.15 0.08 0.00 0.00 2.79 0.00 0.00 35.95 39.97 1k72 h PHE 583 CO 0.69 -0.13 0.00 0.43 -2.23 0.00 0.00 178.31 177.07 1k72 n SER 584 N -5.24 0.00 0.04 0.41 7.64 -0.78 -3.04 113.62 112.65 1k72 n SER 584 Ca 0.10 -0.05 0.10 0.00 1.01 0.00 0.00 58.87 60.03 1k72 n SER 584 Cb 0.36 -0.28 -0.09 0.00 -1.01 0.00 0.00 64.21 63.20 1k72 n SER 584 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1k72 n TYR 585 N -1.28 0.50 -1.70 1.43 9.36 -0.66 -4.69 117.16 120.12 1k72 n TYR 585 Ca 0.11 0.15 -0.42 0.00 3.32 0.00 0.00 57.90 61.06 1k72 n TYR 585 Cb 0.18 -0.75 -0.03 0.00 -0.63 0.00 0.00 39.34 38.11 1k72 n TYR 585 CO 0.00 0.00 0.00 0.34 0.22 0.00 0.00 176.86 177.42 1k72 s ASP 586 N -4.99 6.46 0.00 2.98 3.68 -1.17 -1.78 116.67 121.84 1k72 s ASP 586 Ca -0.04 2.66 0.00 0.00 2.13 0.00 0.00 52.55 57.29 1k72 s ASP 586 Cb 0.11 -2.53 0.00 0.00 -1.45 0.00 0.00 42.92 39.05 1k72 s ASP 586 CO 0.85 -1.04 0.00 0.61 0.13 0.00 0.00 175.17 175.72 1k72 n GLY 587 N 4.49 1.02 3.66 2.66 0.00 -1.26 -4.96 105.19 110.80 1k72 n GLY 587 Ca 0.20 0.00 -0.47 0.00 0.00 0.00 0.00 46.02 45.74 1k72 n GLY 587 CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22 1k72 n LEU 588 N 0.00 2.96 -4.68 0.99 7.94 -0.74 -4.81 117.00 118.66 1k72 n LEU 588 Ca 0.00 1.07 -0.53 0.00 -1.11 0.00 0.00 56.01 55.43 1k72 n LEU 588 Cb 0.00 -1.38 -0.06 0.00 0.53 0.00 0.00 43.42 42.51 1k72 n LEU 588 CO 0.00 -0.35 1.30 -2.65 -1.11 0.00 0.00 177.39 174.59 1k72 n PRO 589 N 3.93 1.51 0.16 1.96 -0.02 -1.26 -4.82 135.00 136.45 1k72 n PRO 589 Ca 0.18 0.55 0.13 0.00 -2.02 0.00 0.00 63.50 62.35 1k72 n PRO 589 Cb 0.27 -2.28 0.45 0.00 -0.02 0.00 0.00 33.50 31.92 1k72 n PRO 589 CO 0.00 0.00 0.00 1.79 1.98 0.00 0.00 175.50 179.27 1k72 h THR 590 N 4.91 0.00 0.00 3.45 1.35 -1.91 0.53 112.91 121.23 1k72 h THR 590 Ca -0.47 -0.47 0.00 0.00 -0.55 0.00 0.00 66.41 64.92 1k72 h THR 590 Cb 1.30 1.37 0.00 0.00 -1.73 0.00 0.00 68.15 69.10 1k72 h THR 590 CO 0.93 0.00 0.00 0.35 -0.25 0.00 0.00 175.52 176.55 1k72 n THR 591 N -2.49 0.00 0.00 6.82 -2.24 -1.26 -4.62 114.28 110.48 1k72 n THR 591 Ca 0.03 0.16 0.00 0.00 -2.27 0.00 0.00 64.05 61.97 1k72 n THR 591 Cb 0.35 -0.56 0.00 0.00 -2.10 0.00 0.00 70.33 68.03 1k72 n THR 591 CO 0.00 0.00 0.00 -0.24 -0.57 0.00 0.00 175.07 174.26 1k72 n SER 592 N -1.08 0.00 -4.56 3.42 2.88 -1.20 -4.46 113.62 108.62 1k72 n SER 592 Ca 0.00 0.00 -0.41 0.00 -1.33 0.00 0.00 58.87 57.13 1k72 n SER 592 Cb 0.00 0.00 -0.03 0.00 -0.75 0.00 0.00 64.21 63.43 1k72 n SER 592 CO 0.00 0.00 0.00 0.28 -1.23 0.00 0.00 175.04 174.09 1k72 s THR 593 N 0.00 3.64 0.51 2.46 -1.32 -1.26 -4.70 115.64 114.96 1k72 s THR 593 Ca 0.00 0.45 -0.23 0.00 -1.21 0.00 0.00 61.69 60.70 1k72 s THR 593 Cb 0.00 -4.45 -0.07 0.00 -1.51 0.00 0.00 72.50 66.47 1k72 s THR 593 CO 0.00 -1.32 1.34 1.33 -2.21 0.00 0.00 174.62 173.76 1k72 n VAL 594 N 6.80 3.36 -4.01 5.08 0.24 -1.26 -4.78 118.33 123.76 1k72 n VAL 594 Ca 0.12 -0.50 -0.11 0.00 -2.04 0.00 0.00 64.34 61.81 1k72 n VAL 594 Cb 0.50 -1.66 -0.11 0.00 -1.47 0.00 0.00 33.84 31.09 1k72 n VAL 594 CO 0.00 0.00 0.00 0.20 -2.14 0.00 0.00 176.83 174.89 1k72 s ASN 595 N -0.76 0.49 0.19 -1.34 0.01 -0.79 -4.80 114.94 107.94 1k72 s ASN 595 Ca 0.68 -0.50 -0.33 0.00 -0.71 0.00 0.00 52.86 52.00 1k72 s ASN 595 Cb -0.44 0.07 -0.13 0.00 0.41 0.00 0.00 41.25 41.16 1k72 s ASN 595 CO 0.53 -0.25 1.60 0.41 -1.51 0.00 0.00 177.10 177.88 1k72 n THR 596 N 1.61 0.17 -4.34 1.60 -1.04 -1.26 -0.68 114.28 110.34 1k72 n THR 596 Ca -0.23 -0.04 -0.24 0.00 -2.04 0.00 0.00 64.05 61.50 1k72 n THR 596 Cb 0.55 -1.68 -0.12 0.00 -1.82 0.00 0.00 70.33 67.27 1k72 n THR 596 CO 0.00 0.00 0.00 0.68 -0.64 0.00 0.00 175.07 175.11 1k72 s VAL 597 N 0.81 1.91 -0.71 12.58 -7.23 -1.00 -4.86 120.40 121.90 1k72 s VAL 597 Ca 0.76 -1.81 0.07 0.00 -1.81 0.00 0.00 61.98 59.18 1k72 s VAL 597 Cb -0.62 -1.82 0.14 0.00 0.56 0.00 0.00 36.38 34.65 1k72 s VAL 597 CO 0.38 -0.18 1.00 0.35 -0.31 0.00 0.00 175.10 176.35 1k72 n THR 598 N 0.57 0.62 -0.40 5.32 -2.24 -1.26 -4.60 114.28 112.29 1k72 n THR 598 Ca -0.15 -0.81 0.06 0.00 -2.27 0.00 0.00 64.05 60.88 1k72 n THR 598 Cb 0.55 0.74 0.18 0.00 -2.10 0.00 0.00 70.33 69.71 1k72 n THR 598 CO 0.00 0.00 0.00 -0.46 -0.57 0.00 0.00 175.07 174.04 1k72 n ASN 599 N 0.25 3.15 -3.57 3.42 0.23 -1.26 0.14 115.26 117.61 1k72 n ASN 599 Ca 0.06 -2.28 -0.27 0.00 -0.53 0.00 0.00 54.58 51.56 1k72 n ASN 599 Cb 0.29 -0.31 -0.09 0.00 -2.08 0.00 0.00 39.78 37.59 1k72 n ASN 599 CO 0.00 0.00 0.00 -0.38 -0.93 0.00 0.00 177.26 175.95 1k72 n ILE 600 N 0.18 1.92 -1.61 1.53 5.41 -1.26 -4.19 119.36 121.34 1k72 n ILE 600 Ca 0.14 -5.02 -0.44 0.00 1.00 0.00 0.00 62.75 58.43 1k72 n ILE 600 Cb 0.55 -2.11 -0.01 0.00 -0.71 0.00 0.00 39.64 37.35 1k72 n ILE 600 CO 0.00 0.00 0.00 -0.81 0.00 0.00 0.00 176.55 175.74 1k72 n PRO 601 N 1.28 1.47 -4.41 0.38 -0.04 -1.24 -4.67 135.00 127.76 1k72 n PRO 601 Ca 0.26 0.52 -0.34 0.00 -0.04 0.00 0.00 63.50 63.89 1k72 n PRO 601 Cb 0.40 -1.92 -0.10 0.00 -0.04 0.00 0.00 33.50 31.83 1k72 n PRO 601 CO 0.00 0.00 0.00 0.08 -0.04 0.00 0.00 175.50 175.54 1k72 s VAL 602 N -1.05 4.14 0.03 0.52 1.01 0.11 -1.87 120.40 123.30 1k72 s VAL 602 Ca 0.58 -0.30 0.08 0.00 0.00 0.00 0.00 61.98 62.34 1k72 s VAL 602 Cb -0.68 -2.75 -0.03 0.00 0.00 0.00 0.00 36.38 32.92 1k72 s VAL 602 CO 0.60 0.58 -0.25 -0.31 0.00 0.00 0.00 175.10 175.72 1k72 s TYR 603 N -0.61 2.17 -0.26 5.22 1.51 0.87 -0.89 117.35 125.36 1k72 s TYR 603 Ca 0.10 -0.40 0.02 0.00 -1.01 0.00 0.00 57.07 55.77 1k72 s TYR 603 Cb -0.12 -1.32 0.05 0.00 -0.11 0.00 0.00 41.96 40.47 1k72 s TYR 603 CO 0.02 0.09 -0.10 0.34 -1.11 0.00 0.00 175.55 174.79 1k72 s ASP 604 N -1.10 4.39 -1.48 2.29 -1.08 0.24 -1.44 116.67 118.49 1k72 s ASP 604 Ca 0.10 -1.28 -0.12 0.00 -0.52 0.00 0.00 52.55 50.74 1k72 s ASP 604 Cb -0.10 -1.58 0.06 0.00 -1.46 0.00 0.00 42.92 39.85 1k72 s ASP 604 CO 0.01 -0.18 1.00 -3.20 0.52 0.00 0.00 175.17 173.33 1k72 n ASN 605 N 4.49 -4.80 0.00 -0.34 4.05 0.15 -1.78 115.26 117.04 1k72 n ASN 605 Ca -0.15 -0.74 0.00 0.00 0.45 0.00 0.00 54.58 54.15 1k72 n ASN 605 Cb 0.43 -4.12 0.00 0.00 1.23 0.00 0.00 39.78 37.32 1k72 n ASN 605 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 177.26 174.82 1k72 n GLY 606 N -1.74 1.57 3.59 8.20 0.00 -1.26 -5.02 105.19 110.53 1k72 n GLY 606 Ca 0.01 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.66 1k72 n GLY 606 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1k72 s VAL 607 N -3.48 5.01 0.13 1.61 1.01 -0.73 -4.99 120.40 118.95 1k72 s VAL 607 Ca 0.00 0.06 -0.31 0.00 0.00 0.00 0.00 61.98 61.73 1k72 s VAL 607 Cb 0.00 -3.34 -0.10 0.00 0.00 0.00 0.00 36.38 32.94 1k72 s VAL 607 CO 0.00 0.34 1.73 -0.75 0.00 0.00 0.00 175.10 176.42 1k72 s LYS 608 N 1.28 4.16 -0.00 2.72 2.20 -1.26 -0.59 119.74 128.25 1k72 s LYS 608 Ca 0.06 2.50 0.00 0.00 -0.36 0.00 0.00 55.97 58.17 1k72 s LYS 608 Cb -0.14 -3.46 -0.00 0.00 -1.51 0.00 0.00 37.83 32.71 1k72 s LYS 608 CO 0.06 -0.77 0.01 1.33 -0.36 0.00 0.00 175.35 175.61 1k72 n VAL 609 N 4.52 0.00 -3.71 4.02 0.24 -0.07 -4.91 118.33 118.43 1k72 n VAL 609 Ca 0.16 -0.23 -0.14 0.00 -2.04 0.00 0.00 64.34 62.10 1k72 n VAL 609 Cb 0.38 0.72 -0.09 0.00 -1.47 0.00 0.00 33.84 33.38 1k72 n VAL 609 CO 0.00 0.00 0.00 0.12 -2.14 0.00 0.00 176.83 174.81 1k72 s PHE 610 N -1.57 -0.49 0.00 6.34 5.36 -1.14 -4.93 117.98 121.55 1k72 s PHE 610 Ca -0.00 1.14 0.00 0.00 -0.96 0.00 0.00 56.93 57.11 1k72 s PHE 610 Cb 0.00 0.18 0.00 0.00 -0.34 0.00 0.00 43.02 42.87 1k72 s PHE 610 CO 0.01 -0.29 0.00 0.41 -1.46 0.00 0.00 175.22 173.89 1k72 n GLY 611 N 2.50 -2.62 3.26 13.12 0.00 -1.26 -0.71 105.19 119.48 1k72 n GLY 611 Ca -0.15 -1.71 -0.18 0.00 0.00 0.00 0.00 46.02 43.99 1k72 n GLY 611 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1k72 s ASN 612 N -2.33 2.09 0.27 1.61 0.01 0.12 -4.86 114.94 111.85 1k72 s ASN 612 Ca 0.00 -0.85 0.05 0.00 -0.71 0.00 0.00 52.86 51.36 1k72 s ASN 612 Cb 0.00 -0.08 -0.02 0.00 0.41 0.00 0.00 41.25 41.56 1k72 s ASN 612 CO 0.00 -0.15 0.40 -1.61 -1.51 0.00 0.00 177.10 174.23 1k72 s GLU 613 N -2.83 3.36 0.00 -0.60 2.02 -1.26 -4.02 118.70 115.37 1k72 s GLU 613 Ca 0.11 -0.79 0.00 0.00 0.02 0.00 0.00 54.97 54.31 1k72 s GLU 613 Cb -0.04 -2.86 0.00 0.00 0.10 0.00 0.00 34.13 31.33 1k72 s GLU 613 CO 0.03 0.32 0.37 -0.35 0.02 0.00 0.00 175.26 175.65