#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1k72 s TYR 4 N 0.00 1.20 -0.81 1.09 1.51 -1.26 -5.08 117.35 113.99 1k72 s TYR 4 Ca 0.00 -0.38 -0.25 0.00 -1.01 0.00 0.00 57.07 55.43 1k72 s TYR 4 Cb 0.00 -0.70 0.05 0.00 -0.11 0.00 0.00 41.96 41.20 1k72 s TYR 4 CO 0.00 0.04 1.27 1.21 -1.11 0.00 0.00 175.55 176.96 1k72 s ASN 5 N -1.30 6.28 0.29 2.29 3.84 -1.26 -4.76 114.94 120.31 1k72 s ASN 5 Ca 0.00 -0.89 0.13 0.00 0.21 0.00 0.00 52.86 52.31 1k72 s ASN 5 Cb -0.08 -2.53 0.38 0.00 -0.55 0.00 0.00 41.25 38.47 1k72 s ASN 5 CO 0.01 -1.65 1.61 1.88 -2.79 0.00 0.00 177.10 176.17 1k72 h TYR 6 N 9.83 0.00 -0.40 0.43 0.05 -1.70 -2.73 116.97 122.45 1k72 h TYR 6 Ca -0.13 0.00 -0.09 0.00 0.05 0.00 0.00 58.73 58.56 1k72 h TYR 6 Cb 1.04 0.00 -0.01 0.00 1.01 0.00 0.00 36.73 38.77 1k72 h TYR 6 CO 1.15 0.58 -0.10 0.78 -1.05 0.00 0.00 178.16 179.52 1k72 h GLY 7 N 2.06 0.84 1.34 3.88 0.00 -1.40 -0.54 103.07 109.26 1k72 h GLY 7 Ca -0.01 -0.70 -0.10 0.00 0.00 0.00 0.00 47.33 46.52 1k72 h GLY 7 CO 0.08 0.64 -0.17 -2.09 0.00 0.00 0.00 176.54 175.00 1k72 h GLU 8 N 0.59 0.77 -0.49 4.80 4.81 -1.69 -0.89 114.58 122.48 1k72 h GLU 8 Ca 0.10 -0.28 -0.04 0.00 -0.13 0.00 0.00 59.36 59.01 1k72 h GLU 8 Cb 0.63 -0.05 -0.02 0.00 0.63 0.00 0.00 28.75 29.94 1k72 h GLU 8 CO 0.04 0.89 0.15 0.00 -0.73 0.00 0.00 179.01 179.36 1k72 h ALA 9 N 1.13 0.64 -0.34 2.92 0.00 -1.29 -1.71 119.26 120.61 1k72 h ALA 9 Ca 0.11 -0.18 -0.01 0.00 0.00 0.00 0.00 54.91 54.82 1k72 h ALA 9 Cb 0.66 -0.19 -0.02 0.00 0.00 0.00 0.00 17.79 18.24 1k72 h ALA 9 CO 0.05 0.30 0.16 1.25 0.00 0.00 0.00 179.25 181.01 1k72 h LEU 10 N 0.66 0.45 -0.25 0.00 5.85 -0.87 -0.16 115.31 121.00 1k72 h LEU 10 Ca 0.16 -0.13 0.04 0.00 0.84 0.00 0.00 57.88 58.79 1k72 h LEU 10 Cb 0.27 -0.11 -0.03 0.00 0.37 0.00 0.00 40.66 41.15 1k72 h LEU 10 CO -0.00 0.45 0.04 -0.61 -0.34 0.00 0.00 178.44 177.97 1k72 h GLN 11 N 0.41 0.12 -0.31 1.25 4.15 -1.04 -2.13 115.11 117.56 1k72 h GLN 11 Ca 0.12 -0.01 -0.13 0.00 0.77 0.00 0.00 58.65 59.39 1k72 h GLN 11 Cb 0.12 -0.03 -0.01 0.00 0.21 0.00 0.00 27.48 27.78 1k72 h GLN 11 CO -0.01 0.08 -0.35 0.87 -1.93 0.00 0.00 178.83 177.48 1k72 h LYS 12 N 0.13 0.70 -0.81 1.69 1.57 -1.09 -1.92 116.57 116.84 1k72 h LYS 12 Ca 0.12 -0.34 0.01 0.00 -1.87 0.00 0.00 60.65 58.56 1k72 h LYS 12 Cb 0.13 -0.00 -0.04 0.00 0.08 0.00 0.00 32.23 32.39 1k72 h LYS 12 CO -0.17 0.95 0.53 1.03 -0.57 0.00 0.00 179.45 181.22 1k72 h SER 13 N 0.59 0.93 -0.19 0.86 0.87 -0.80 0.46 113.55 116.26 1k72 h SER 13 Ca 0.06 -0.03 -0.14 0.00 -1.23 0.00 0.00 61.79 60.45 1k72 h SER 13 Cb 0.88 -0.23 0.00 0.00 -0.44 0.00 0.00 62.40 62.61 1k72 h SER 13 CO 0.08 0.68 -0.41 0.40 -0.53 0.00 0.00 176.83 177.05 1k72 h ILE 14 N 1.10 1.33 -0.31 2.23 2.04 -1.26 -3.06 117.51 119.58 1k72 h ILE 14 Ca 0.30 -1.64 0.02 0.00 1.00 0.00 0.00 64.86 64.53 1k72 h ILE 14 Cb -0.11 1.89 -0.02 0.00 -0.74 0.00 0.00 36.82 37.84 1k72 h ILE 14 CO -0.06 0.51 0.21 -0.03 0.00 0.00 0.00 178.15 178.77 1k72 h MET 15 N 0.29 0.33 -0.76 2.37 4.05 -0.52 -2.62 114.93 118.07 1k72 h MET 15 Ca 0.00 -0.02 0.17 0.00 -0.28 0.00 0.00 59.70 59.58 1k72 h MET 15 Cb 1.01 -0.07 -0.13 0.00 -0.80 0.00 0.00 31.60 31.61 1k72 h MET 15 CO 0.09 0.22 0.08 0.35 0.23 0.00 0.00 176.91 177.88 1k72 h PHE 16 N 0.34 0.09 -0.10 1.39 3.57 -0.83 0.33 116.94 121.73 1k72 h PHE 16 Ca 0.12 0.05 -0.01 0.00 3.53 0.00 0.00 57.97 61.66 1k72 h PHE 16 Cb 0.08 0.08 -0.01 0.00 2.79 0.00 0.00 35.95 38.89 1k72 h PHE 16 CO -0.00 -0.19 0.01 1.88 -2.23 0.00 0.00 178.31 177.78 1k72 h TYR 17 N 0.16 0.14 -0.42 0.41 0.05 -1.61 -2.08 116.97 113.62 1k72 h TYR 17 Ca 0.43 -0.00 -0.01 0.00 0.05 0.00 0.00 58.73 59.19 1k72 h TYR 17 Cb 0.76 -0.04 -0.02 0.00 1.01 0.00 0.00 36.73 38.44 1k72 h TYR 17 CO -0.35 0.14 0.20 0.93 -1.05 0.00 0.00 178.16 178.03 1k72 h GLU 18 N 0.14 0.58 0.00 4.88 5.08 -1.05 -1.05 114.58 123.16 1k72 h GLU 18 Ca 0.04 -0.06 0.00 0.00 -1.00 0.00 0.00 59.36 58.34 1k72 h GLU 18 Cb 0.08 -0.12 0.00 0.00 0.50 0.00 0.00 28.75 29.21 1k72 h GLU 18 CO -0.00 0.45 0.00 1.19 -1.00 0.00 0.00 179.01 179.65 1k72 n PHE 19 N -4.41 0.72 1.04 4.33 0.99 -0.79 -2.93 117.46 116.42 1k72 n PHE 19 Ca 0.03 0.23 0.12 0.00 -0.00 0.00 0.00 57.45 57.83 1k72 n PHE 19 Cb 0.12 -0.87 0.23 0.00 -1.00 0.00 0.00 39.48 37.95 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 -2.10 0.18 -1.76 -1.08 1.13 -0.42 -4.98 117.38 108.34 1k72 n GLN 20 Ca 0.05 -0.11 -0.42 0.00 -1.94 0.00 0.00 57.00 54.58 1k72 n GLN 20 Cb 0.35 -1.50 -0.02 0.00 0.11 0.00 0.00 30.24 29.19 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 -2.90 4.12 0.26 -1.09 0.52 -1.08 0.18 118.95 118.95 1k72 s ARG 21 Ca 0.13 2.59 0.08 0.00 -0.52 0.00 0.00 55.73 58.02 1k72 s ARG 21 Cb 0.18 -3.03 -0.04 0.00 0.52 0.00 0.00 34.95 32.58 1k72 s ARG 21 CO 0.68 -0.66 0.08 0.45 0.02 0.00 0.00 175.30 175.88 1k72 s SER 22 N 0.60 4.97 0.00 0.23 0.15 -0.29 -4.83 113.70 114.53 1k72 s SER 22 Ca 0.65 -0.48 0.00 0.00 0.70 0.00 0.00 55.95 56.82 1k72 s SER 22 Cb -0.48 -1.09 0.00 0.00 -1.71 0.00 0.00 66.02 62.74 1k72 s SER 22 CO 0.46 -0.02 0.00 0.61 1.20 0.00 0.00 173.24 175.49 1k72 n GLY 23 N -1.02 -1.80 3.55 9.45 0.00 0.63 -3.59 105.19 112.41 1k72 n GLY 23 Ca -0.07 -1.90 -0.42 0.00 0.00 0.00 0.00 46.02 43.63 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 6.29 0.35 1.61 -1.08 -1.26 -2.63 116.67 115.94 1k72 s ASP 24 Ca 0.00 -0.25 -0.26 0.00 -0.52 0.00 0.00 52.55 51.52 1k72 s ASP 24 Cb 0.00 -2.54 -0.09 0.00 -1.46 0.00 0.00 42.92 38.83 1k72 s ASP 24 CO 0.00 -1.62 1.07 -0.76 0.52 0.00 0.00 175.17 174.39 1k72 s LEU 25 N 5.16 4.32 0.61 -1.34 1.43 -1.26 -5.01 118.68 122.59 1k72 s LEU 25 Ca 0.37 2.15 -0.19 0.00 -1.03 0.00 0.00 54.13 55.43 1k72 s LEU 25 Cb -0.09 -3.93 -0.03 0.00 0.03 0.00 0.00 46.19 42.17 1k72 s LEU 25 CO 0.19 -0.35 1.23 -2.65 0.23 0.00 0.00 176.35 175.01 1k72 n PRO 26 N 0.49 1.23 0.23 1.29 -0.02 -1.26 -4.90 135.00 132.06 1k72 n PRO 26 Ca 0.02 0.47 0.10 0.00 -2.02 0.00 0.00 63.50 62.07 1k72 n PRO 26 Cb 0.47 -2.45 0.55 0.00 -0.02 0.00 0.00 33.50 32.05 1k72 n PRO 26 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1k72 h ALA 27 N 0.78 1.17 -0.15 3.55 0.00 -2.05 -2.66 119.26 119.91 1k72 h ALA 27 Ca -0.50 -0.20 0.00 0.00 0.00 0.00 0.00 54.91 54.21 1k72 h ALA 27 Cb 1.34 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 19.09 1k72 h ALA 27 CO 0.54 0.27 0.00 -0.40 0.00 0.00 0.00 179.25 179.66 1k72 n ASP 28 N -3.60 0.90 -4.77 0.00 5.68 -1.26 -4.94 116.55 108.56 1k72 n ASP 28 Ca -0.01 -2.02 -0.39 0.00 -0.50 0.00 0.00 54.79 51.87 1k72 n ASP 28 Cb 0.35 -0.14 0.01 0.00 -1.14 0.00 0.00 41.12 40.21 1k72 n ASP 28 CO 0.00 0.00 0.00 -1.59 -1.33 0.00 0.00 177.20 174.28 1k72 s LYS 29 N -1.76 3.74 -0.67 0.11 -2.85 -1.01 -4.93 119.74 112.37 1k72 s LYS 29 Ca 0.10 2.30 -0.01 0.00 -1.00 0.00 0.00 55.97 57.35 1k72 s LYS 29 Cb 0.05 -2.65 0.44 0.00 -2.06 0.00 0.00 37.83 33.61 1k72 s LYS 29 CO 0.06 -0.73 1.98 2.89 0.10 0.00 0.00 175.35 179.65 1k72 n ARG 30 N -0.16 2.76 -3.93 1.78 1.85 -1.26 -4.93 116.66 112.76 1k72 n ARG 30 Ca 0.05 -3.38 -0.09 0.00 -1.00 0.00 0.00 57.85 53.42 1k72 n ARG 30 Cb 0.43 -2.29 -0.07 0.00 -1.05 0.00 0.00 32.46 29.48 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 -1.86 0.04 -0.11 2.89 -4.77 -1.26 0.04 116.67 111.63 1k72 s ASP 31 Ca 0.62 -0.82 0.15 0.00 -3.30 0.00 0.00 52.55 49.21 1k72 s ASP 31 Cb 0.49 0.43 0.25 0.00 -1.09 0.00 0.00 42.92 43.00 1k72 s ASP 31 CO -0.06 -0.87 1.13 -0.46 0.70 0.00 0.00 175.17 175.61 1k72 n ASN 32 N -0.20 1.86 0.00 2.11 6.94 -1.23 -4.74 115.26 120.00 1k72 n ASN 32 Ca -0.09 -2.93 0.00 0.00 -0.02 0.00 0.00 54.58 51.54 1k72 n ASN 32 Cb 0.63 -0.39 0.00 0.00 -2.36 0.00 0.00 39.78 37.66 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 -1.12 0.00 -4.76 -2.53 4.27 -1.26 -3.34 117.44 108.70 1k72 n TRP 33 Ca 0.13 -0.06 -0.33 0.00 -3.89 0.00 0.00 57.50 53.35 1k72 n TRP 33 Cb 0.66 -0.01 -0.12 0.00 -1.36 0.00 0.00 31.31 30.49 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 -0.12 2.60 0.13 -2.67 1.81 -1.26 -4.47 118.95 114.98 1k72 s ARG 34 Ca 0.00 -0.63 0.02 0.00 -1.72 0.00 0.00 55.73 53.39 1k72 s ARG 34 Cb 0.00 -2.47 -0.01 0.00 -0.45 0.00 0.00 34.95 32.02 1k72 s ARG 34 CO 0.00 0.64 0.14 -3.47 -0.68 0.00 0.00 175.30 171.93 1k72 n ASP 35 N 2.23 -0.36 -4.65 0.23 -0.08 -1.26 -4.93 116.55 107.73 1k72 n ASP 35 Ca -0.17 -1.81 -0.44 0.00 -1.51 0.00 0.00 54.79 50.85 1k72 n ASP 35 Cb 0.53 0.77 -0.02 0.00 2.34 0.00 0.00 41.12 44.73 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 -2.30 2.22 -3.45 1.67 8.00 -1.26 -4.82 116.55 116.61 1k72 n ASP 36 Ca 0.02 1.18 -0.13 0.00 0.71 0.00 0.00 54.79 56.56 1k72 n ASP 36 Cb 0.23 -1.39 -0.03 0.00 -0.02 0.00 0.00 41.12 39.91 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 -0.19 -0.57 -1.46 -2.24 1.04 -1.08 -4.59 113.70 104.61 1k72 s SER 37 Ca 0.61 0.14 -0.05 0.00 0.48 0.00 0.00 55.95 57.13 1k72 s SER 37 Cb -0.65 0.58 0.02 0.00 0.10 0.00 0.00 66.02 66.07 1k72 s SER 37 CO 0.57 -0.88 0.45 0.61 0.98 0.00 0.00 173.24 174.97 1k72 n GLY 38 N -0.09 -0.51 0.14 7.32 0.00 -1.26 -0.27 105.19 110.53 1k72 n GLY 38 Ca -0.17 0.09 0.12 0.00 0.00 0.00 0.00 46.02 46.06 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 -3.73 0.18 -0.31 1.61 0.00 -1.26 -1.90 117.12 111.71 1k72 n MET 39 Ca -0.10 0.49 0.08 0.00 0.00 0.00 0.00 57.70 58.17 1k72 n MET 39 Cb 0.61 -1.90 0.24 0.00 0.00 0.00 0.00 33.22 32.16 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 -2.26 2.95 -1.68 0.03 5.02 -1.26 -4.93 118.16 116.03 1k72 n LYS 40 Ca 0.01 -2.41 -0.45 0.00 -2.02 0.00 0.00 58.31 53.44 1k72 n LYS 40 Cb 0.17 -1.48 -0.04 0.00 -0.02 0.00 0.00 35.03 33.66 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 0.87 3.68 0.00 4.39 9.92 -0.80 -1.07 116.55 133.54 1k72 n ASP 41 Ca 0.18 0.99 0.00 0.00 -0.53 0.00 0.00 54.79 55.43 1k72 n ASP 41 Cb 0.58 -1.46 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 4.19 0.66 0.25 0.44 0.00 -1.26 -1.78 105.19 107.68 1k72 n GLY 42 Ca 0.20 0.00 0.07 0.00 0.00 0.00 0.00 46.02 46.29 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 0.55 1.61 4.64 -1.22 -1.00 113.55 118.12 1k72 h SER 43 Ca 0.00 0.00 -0.01 0.00 -0.47 0.00 0.00 61.79 61.31 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 0.08 -0.05 -2.24 -0.87 0.00 0.00 176.83 173.75 1k72 h ASP 44 N 0.00 0.00 -0.06 4.97 2.03 -1.91 -2.89 116.42 118.56 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 0.15 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 38.65 1k72 h ASP 44 CO 0.01 0.05 0.00 1.33 -1.03 0.00 0.00 179.24 179.60 1k72 n VAL 45 N -3.27 0.42 -1.71 4.15 0.24 -0.47 -5.01 118.33 112.69 1k72 n VAL 45 Ca -0.01 -0.71 -0.09 0.00 -2.04 0.00 0.00 64.34 61.49 1k72 n VAL 45 Cb 0.23 0.84 -0.02 0.00 -1.47 0.00 0.00 33.84 33.42 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 0.08 0.52 3.21 7.63 0.00 -0.67 -5.04 105.19 110.93 1k72 n GLY 46 Ca 0.03 -0.59 -0.27 0.00 0.00 0.00 0.00 46.02 45.19 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 -2.37 1.62 -0.48 1.61 1.01 -0.83 -5.01 120.40 115.94 1k72 s VAL 47 Ca 0.00 -0.86 -0.28 0.00 0.00 0.00 0.00 61.98 60.83 1k72 s VAL 47 Cb 0.00 -1.35 0.01 0.00 0.00 0.00 0.00 36.38 35.04 1k72 s VAL 47 CO 0.00 0.46 1.44 -0.62 0.00 0.00 0.00 175.10 176.37 1k72 s ASP 48 N -0.39 6.20 -0.19 3.32 2.15 -1.26 -3.94 116.67 122.56 1k72 s ASP 48 Ca 0.06 0.59 0.14 0.00 0.43 0.00 0.00 52.55 53.77 1k72 s ASP 48 Cb -0.09 -2.54 0.41 0.00 -0.30 0.00 0.00 42.92 40.40 1k72 s ASP 48 CO -0.00 -1.59 1.28 0.18 -0.17 0.00 0.00 175.17 174.87 1k72 n LEU 49 N 9.31 3.05 -4.79 -1.34 4.77 -0.73 -4.77 117.00 122.49 1k72 n LEU 49 Ca 0.15 -3.45 -0.33 0.00 -0.03 0.00 0.00 56.01 52.35 1k72 n LEU 49 Cb 0.49 -0.52 0.01 0.00 -2.33 0.00 0.00 43.42 41.07 1k72 n LEU 49 CO 0.71 1.01 0.73 0.42 -1.33 0.00 0.00 177.39 178.93 1k72 s THR 50 N -3.05 3.62 0.00 -5.08 -4.23 -1.24 -4.75 115.64 100.91 1k72 s THR 50 Ca 0.38 0.81 0.00 0.00 -1.18 0.00 0.00 61.69 61.70 1k72 s THR 50 Cb 0.34 -3.32 0.00 0.00 1.34 0.00 0.00 72.50 70.86 1k72 s THR 50 CO 0.00 -0.40 0.00 0.61 -0.54 0.00 0.00 174.62 174.29 1k72 n GLY 51 N -0.67 -1.00 5.12 3.99 0.00 -1.24 -4.80 105.19 106.59 1k72 n GLY 51 Ca 0.09 -2.12 0.02 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 -1.90 3.44 -0.02 0.00 -1.25 -4.44 105.19 101.02 1k72 n GLY 52 Ca 0.00 -1.35 -0.31 0.00 0.00 0.00 0.00 46.02 44.37 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 -0.38 2.54 0.40 1.61 0.51 -1.26 -1.14 118.94 121.22 1k72 s TRP 53 Ca 0.00 -0.27 -0.25 0.00 -2.12 0.00 0.00 56.10 53.46 1k72 s TRP 53 Cb 0.00 -1.47 -0.08 0.00 -0.81 0.00 0.00 33.47 31.11 1k72 s TRP 53 CO 0.00 0.23 1.20 0.71 -0.51 0.00 0.00 176.95 178.58 1k72 s TYR 54 N -0.90 3.01 0.04 -1.98 2.02 0.13 -4.66 117.35 115.02 1k72 s TYR 54 Ca 0.14 1.52 -0.32 0.00 -0.37 0.00 0.00 57.07 58.05 1k72 s TYR 54 Cb -0.10 -3.46 -0.18 0.00 -0.40 0.00 0.00 41.96 37.82 1k72 s TYR 54 CO 0.05 -1.49 1.42 0.22 -1.57 0.00 0.00 175.55 174.17 1k72 h ASP 55 N 2.66 -0.85 0.00 2.29 3.58 -1.48 -3.44 116.42 119.18 1k72 h ASP 55 Ca -0.49 0.01 0.00 0.00 0.42 0.00 0.00 57.03 56.97 1k72 h ASP 55 Cb 1.24 0.22 0.00 0.00 1.72 0.00 0.00 39.33 42.51 1k72 h ASP 55 CO 0.63 -0.54 0.00 0.00 -2.88 0.00 0.00 179.24 176.45 1k72 n ALA 56 N -2.60 0.00 1.08 -0.78 0.00 -1.26 -1.17 120.51 115.77 1k72 n ALA 56 Ca -0.14 0.00 0.05 0.00 0.00 0.00 0.00 53.44 53.35 1k72 n ALA 56 Cb 0.41 0.00 0.13 0.00 0.00 0.00 0.00 19.45 19.99 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 0.31 0.36 0.39 0.00 0.00 -1.17 -4.79 105.19 100.30 1k72 n GLY 57 Ca 0.00 -0.31 -0.03 0.00 0.00 0.00 0.00 46.02 45.68 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 0.33 1.65 -0.10 1.61 5.75 -1.26 -1.71 116.55 122.81 1k72 n ASP 58 Ca 0.10 -1.22 0.08 0.00 -0.01 0.00 0.00 54.79 53.74 1k72 n ASP 58 Cb 0.25 0.02 0.11 0.00 -1.03 0.00 0.00 41.12 40.47 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 -0.40 0.00 -3.02 2.11 8.25 -1.26 -4.34 115.22 116.56 1k72 n HIS 59 Ca -0.01 -0.85 -0.36 0.00 -0.26 0.00 0.00 57.72 56.23 1k72 n HIS 59 Cb 0.07 -0.13 -0.06 0.00 1.12 0.00 0.00 29.99 30.98 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 -2.42 4.48 -0.49 1.59 1.01 -1.26 -4.88 120.40 118.44 1k72 s VAL 60 Ca 0.26 1.40 -0.13 0.00 0.00 0.00 0.00 61.98 63.51 1k72 s VAL 60 Cb 0.23 -3.87 0.11 0.00 0.00 0.00 0.00 36.38 32.84 1k72 s VAL 60 CO 0.02 0.15 0.39 -0.54 0.00 0.00 0.00 175.10 175.13 1k72 s LYS 61 N -2.09 2.77 -0.47 2.72 1.02 -0.39 -1.57 119.74 121.73 1k72 s LYS 61 Ca 0.46 -1.62 -0.14 0.00 0.02 0.00 0.00 55.97 54.69 1k72 s LYS 61 Cb -0.16 -4.07 0.08 0.00 -0.52 0.00 0.00 37.83 33.16 1k72 s LYS 61 CO 0.21 -1.17 0.38 -0.06 -0.92 0.00 0.00 175.35 173.79 1k72 s PHE 62 N 1.51 3.27 0.49 3.18 0.08 -1.26 -1.97 117.98 123.27 1k72 s PHE 62 Ca 0.04 -1.11 0.34 0.00 0.12 0.00 0.00 56.93 56.32 1k72 s PHE 62 Cb -0.27 -3.20 1.82 0.00 -0.57 0.00 0.00 43.02 40.80 1k72 s PHE 62 CO 0.02 -0.84 2.19 -0.91 -0.10 0.00 0.00 175.22 175.59 1k72 h ASN 63 N 8.69 0.00 0.58 1.36 -0.26 -1.82 -2.38 115.58 121.74 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 38.37 1k72 h ASN 63 CO 0.87 0.04 -0.28 0.25 -1.06 0.00 0.00 177.43 177.26 1k72 h LEU 64 N 0.00 -0.65 -1.43 1.61 5.85 -1.89 -1.08 115.31 117.71 1k72 h LEU 64 Ca -0.00 0.01 -0.06 0.00 0.84 0.00 0.00 57.88 58.67 1k72 h LEU 64 Cb 0.19 0.17 -0.01 0.00 0.37 0.00 0.00 40.66 41.38 1k72 h LEU 64 CO 0.01 -0.25 -0.28 1.55 -0.34 0.00 0.00 178.44 179.12 1k72 h PRO 65 N -1.19 0.00 -0.41 5.25 0.13 -1.87 -1.28 132.00 132.63 1k72 h PRO 65 Ca -0.08 0.00 -0.02 0.00 -0.87 0.00 0.00 66.00 65.03 1k72 h PRO 65 Cb 0.60 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 31.72 1k72 h PRO 65 CO 0.13 0.28 0.16 1.98 -0.23 0.00 0.00 178.00 180.32 1k72 h MET 66 N 0.00 0.61 -0.02 0.86 4.05 -1.39 -0.94 114.93 118.09 1k72 h MET 66 Ca -0.00 -0.11 -0.18 0.00 -0.28 0.00 0.00 59.70 59.12 1k72 h MET 66 Cb 0.56 -0.10 -0.01 0.00 -0.80 0.00 0.00 31.60 31.25 1k72 h MET 66 CO 0.04 0.58 -0.78 0.66 0.23 0.00 0.00 176.91 177.63 1k72 h SER 67 N 0.51 0.28 -0.41 1.39 4.64 -1.07 -2.27 113.55 116.62 1k72 h SER 67 Ca 0.13 -0.20 0.02 0.00 -0.47 0.00 0.00 61.79 61.27 1k72 h SER 67 Cb 0.20 -0.08 -0.03 0.00 -0.31 0.00 0.00 62.40 62.18 1k72 h SER 67 CO -0.01 0.95 0.23 0.22 -0.87 0.00 0.00 176.83 177.35 1k72 h TYR 68 N 0.14 0.43 0.38 4.77 3.20 -1.08 -0.98 116.97 123.84 1k72 h TYR 68 Ca -0.03 0.01 -0.01 0.00 3.14 0.00 0.00 58.73 61.84 1k72 h TYR 68 Cb 1.37 -0.14 -0.01 0.00 1.54 0.00 0.00 36.73 39.49 1k72 h TYR 68 CO 0.03 0.24 -0.27 1.15 -1.64 0.00 0.00 178.16 177.67 1k72 h THR 69 N 0.47 0.43 -0.25 1.81 2.02 -0.98 -0.40 112.91 116.00 1k72 h THR 69 Ca 0.16 0.00 -0.06 0.00 0.77 0.00 0.00 66.41 67.29 1k72 h THR 69 Cb 0.03 0.43 -0.01 0.00 -1.74 0.00 0.00 68.15 66.85 1k72 h THR 69 CO -0.09 0.00 -0.10 0.77 0.37 0.00 0.00 175.52 176.47 1k72 h SER 70 N -0.64 0.38 -0.63 4.18 4.64 -1.35 -0.70 113.55 119.43 1k72 h SER 70 Ca -0.03 -0.09 -0.06 0.00 -0.47 0.00 0.00 61.79 61.14 1k72 h SER 70 Cb 0.55 -0.10 -0.03 0.00 -0.31 0.00 0.00 62.40 62.51 1k72 h SER 70 CO 0.01 0.53 0.15 0.00 -0.87 0.00 0.00 176.83 176.65 1k72 h ALA 71 N 1.52 0.83 -0.47 5.18 0.00 -0.97 -0.49 119.26 124.86 1k72 h ALA 71 Ca 0.08 -0.24 -0.12 0.00 0.00 0.00 0.00 54.91 54.63 1k72 h ALA 71 Cb 0.42 -0.24 -0.02 0.00 0.00 0.00 0.00 17.79 17.95 1k72 h ALA 71 CO 0.02 0.55 -0.17 0.52 0.00 0.00 0.00 179.25 180.17 1k72 h MET 72 N 0.93 0.92 -0.45 0.00 2.86 -0.30 -0.02 114.93 118.86 1k72 h MET 72 Ca 0.20 -0.35 -0.07 0.00 -2.06 0.00 0.00 59.70 57.41 1k72 h MET 72 Cb 0.36 -0.05 -0.02 0.00 0.06 0.00 0.00 31.60 31.95 1k72 h MET 72 CO 0.00 1.01 0.01 -0.07 1.06 0.00 0.00 176.91 178.92 1k72 h LEU 73 N 0.81 0.78 -0.72 1.22 3.38 -0.91 -1.69 115.31 118.17 1k72 h LEU 73 Ca 0.12 -0.30 -0.07 0.00 0.09 0.00 0.00 57.88 57.72 1k72 h LEU 73 Cb 0.71 -0.21 -0.03 0.00 0.09 0.00 0.00 40.66 41.22 1k72 h LEU 73 CO 0.05 0.89 0.19 0.00 0.09 0.00 0.00 178.44 179.66 1k72 h ALA 74 N 0.91 0.95 -0.82 1.53 0.00 -0.98 -1.52 119.26 119.33 1k72 h ALA 74 Ca 0.13 -0.25 0.06 0.00 0.00 0.00 0.00 54.91 54.85 1k72 h ALA 74 Cb 0.49 -0.28 -0.06 0.00 0.00 0.00 0.00 17.79 17.94 1k72 h ALA 74 CO 0.02 0.67 0.51 2.35 0.00 0.00 0.00 179.25 182.80 1k72 h TRP 75 N 1.09 0.94 -0.52 0.00 7.01 -0.76 0.61 115.95 124.32 1k72 h TRP 75 Ca 0.23 0.03 -0.03 0.00 2.11 0.00 0.00 58.89 61.23 1k72 h TRP 75 Cb 0.36 -0.30 -0.02 0.00 -2.10 0.00 0.00 29.16 27.10 1k72 h TRP 75 CO 0.03 0.49 0.21 1.03 -2.79 0.00 0.00 178.44 177.41 1k72 h SER 76 N 0.94 0.71 -0.13 2.65 0.87 -0.78 -1.05 113.55 116.76 1k72 h SER 76 Ca 0.35 -0.16 -0.06 0.00 -1.23 0.00 0.00 61.79 60.69 1k72 h SER 76 Cb 0.14 -0.18 -0.02 0.00 -0.44 0.00 0.00 62.40 61.90 1k72 h SER 76 CO -0.16 0.67 -0.10 0.25 -0.53 0.00 0.00 176.83 176.97 1k72 h LEU 77 N 0.69 0.43 -0.61 2.23 5.85 -0.71 0.17 115.31 123.37 1k72 h LEU 77 Ca 0.17 -0.10 -0.12 0.00 0.84 0.00 0.00 57.88 58.67 1k72 h LEU 77 Cb 0.18 -0.12 -0.01 0.00 0.37 0.00 0.00 40.66 41.08 1k72 h LEU 77 CO -0.02 0.57 -0.20 0.22 -0.34 0.00 0.00 178.44 178.68 1k72 h TYR 78 N 0.43 1.02 0.12 1.25 3.20 -0.49 -2.68 116.97 119.81 1k72 h TYR 78 Ca 0.08 -0.23 -0.28 0.00 3.14 0.00 0.00 58.73 61.44 1k72 h TYR 78 Cb 0.43 -0.24 -0.00 0.00 1.54 0.00 0.00 36.73 38.46 1k72 h TYR 78 CO 0.01 1.01 -1.31 0.93 -1.64 0.00 0.00 178.16 177.17 1k72 h GLU 79 N 0.78 0.25 -0.92 1.82 4.39 -0.55 -3.41 114.58 116.94 1k72 h GLU 79 Ca 0.11 -0.42 -0.40 0.00 0.34 0.00 0.00 59.36 58.99 1k72 h GLU 79 Cb 0.74 0.16 -0.41 0.00 -0.10 0.00 0.00 28.75 29.14 1k72 h GLU 79 CO 0.06 1.17 -1.04 -0.25 -1.16 0.00 0.00 179.01 177.79 1k72 n ASP 80 N -3.49 2.56 -0.30 1.42 8.00 0.54 -4.89 116.55 120.38 1k72 n ASP 80 Ca -0.10 -2.86 0.13 0.00 0.71 0.00 0.00 54.79 52.67 1k72 n ASP 80 Cb 1.02 -0.48 0.37 0.00 -0.02 0.00 0.00 41.12 42.02 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 2.71 0.67 -0.28 -1.24 3.64 -1.66 -0.61 116.57 119.79 1k72 h LYS 81 Ca 0.03 -0.04 0.03 0.00 -1.27 0.00 0.00 60.65 59.40 1k72 h LYS 81 Cb 1.20 -0.15 -0.01 0.00 -0.41 0.00 0.00 32.23 32.85 1k72 h LYS 81 CO 0.52 0.44 0.19 0.38 -2.27 0.00 0.00 179.45 178.71 1k72 h ASP 82 N 0.69 0.23 -0.20 4.20 2.03 -1.90 -0.24 116.42 121.23 1k72 h ASP 82 Ca 0.50 -0.00 -0.17 0.00 -0.73 0.00 0.00 57.03 56.62 1k72 h ASP 82 Cb 0.85 -0.05 0.00 0.00 -0.83 0.00 0.00 39.33 39.30 1k72 h ASP 82 CO -0.26 0.16 -0.55 0.00 -1.03 0.00 0.00 179.24 177.56 1k72 h ALA 83 N 1.84 0.33 -0.45 4.15 0.00 -1.45 -1.55 119.26 122.13 1k72 h ALA 83 Ca 0.12 -0.51 -0.06 0.00 0.00 0.00 0.00 54.91 54.45 1k72 h ALA 83 Cb 0.14 -0.04 -0.02 0.00 0.00 0.00 0.00 17.79 17.87 1k72 h ALA 83 CO -0.02 0.55 0.04 1.88 0.00 0.00 0.00 179.25 181.69 1k72 h TYR 84 N 0.43 0.84 -0.20 0.00 0.05 -1.22 -1.72 116.97 115.14 1k72 h TYR 84 Ca -0.01 -0.13 -0.01 0.00 0.05 0.00 0.00 58.73 58.63 1k72 h TYR 84 Cb 1.17 -0.22 -0.01 0.00 1.01 0.00 0.00 36.73 38.68 1k72 h TYR 84 CO 0.09 0.80 0.11 -0.44 -1.05 0.00 0.00 178.16 177.67 1k72 h ASP 85 N 0.63 0.26 -0.59 3.88 3.32 -1.06 -1.01 116.42 121.85 1k72 h ASP 85 Ca 0.13 -0.10 -0.05 0.00 0.02 0.00 0.00 57.03 57.04 1k72 h ASP 85 Cb 0.44 -0.07 -0.03 0.00 0.22 0.00 0.00 39.33 39.90 1k72 h ASP 85 CO 0.02 0.28 0.20 0.11 -1.72 0.00 0.00 179.24 178.13 1k72 h LYS 86 N 0.21 0.94 0.00 3.56 1.57 -1.24 -2.19 116.57 119.42 1k72 h LYS 86 Ca 0.07 -0.18 0.00 0.00 -1.87 0.00 0.00 60.65 58.67 1k72 h LYS 86 Cb 0.09 -0.15 0.00 0.00 0.08 0.00 0.00 32.23 32.25 1k72 h LYS 86 CO -0.01 0.80 0.00 -1.13 -0.57 0.00 0.00 179.45 178.54 1k72 n SER 87 N -4.28 0.14 -0.40 0.86 3.41 -0.65 -4.91 113.62 107.78 1k72 n SER 87 Ca 0.05 0.51 -0.05 0.00 -0.26 0.00 0.00 58.87 59.12 1k72 n SER 87 Cb 0.20 -0.55 -0.02 0.00 -0.26 0.00 0.00 64.21 63.58 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 1.34 0.77 0.94 5.00 0.00 -0.60 -4.79 105.19 107.85 1k72 n GLY 88 Ca 0.06 -0.67 0.11 0.00 0.00 0.00 0.00 46.02 45.53 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 2.20 -0.24 1.61 1.13 -0.49 -4.62 117.38 114.29 1k72 n GLN 89 Ca -0.05 -1.91 0.02 0.00 -1.94 0.00 0.00 57.00 53.12 1k72 n GLN 89 Cb 0.19 -1.44 0.15 0.00 0.11 0.00 0.00 30.24 29.24 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 4.46 0.76 -0.87 5.09 2.02 -1.87 -1.86 112.91 120.64 1k72 h THR 90 Ca 0.00 -0.17 -0.02 0.00 0.77 0.00 0.00 66.41 66.99 1k72 h THR 90 Cb 0.95 0.22 -0.04 0.00 -1.74 0.00 0.00 68.15 67.54 1k72 h THR 90 CO 0.00 0.09 0.48 0.11 0.37 0.00 0.00 175.52 176.57 1k72 h LYS 91 N 0.50 1.22 -0.25 6.66 6.56 -1.92 -1.48 116.57 127.86 1k72 h LYS 91 Ca 0.36 -0.14 -0.08 0.00 -1.06 0.00 0.00 60.65 59.73 1k72 h LYS 91 Cb 0.46 -0.24 -0.01 0.00 -0.57 0.00 0.00 32.23 31.88 1k72 h LYS 91 CO -0.33 0.89 -0.15 1.88 -2.06 0.00 0.00 179.45 179.69 1k72 h TYR 92 N 1.22 0.62 -0.11 -1.35 -1.99 -1.68 -0.71 116.97 112.97 1k72 h TYR 92 Ca 0.31 -0.16 -0.13 0.00 2.00 0.00 0.00 58.73 60.75 1k72 h TYR 92 Cb 0.03 -0.14 -0.01 0.00 2.00 0.00 0.00 36.73 38.60 1k72 h TYR 92 CO 0.01 0.81 -0.49 0.97 -0.00 0.00 0.00 178.16 179.46 1k72 h ILE 93 N 0.25 1.34 -0.23 -2.88 2.10 -1.31 -2.00 117.51 114.78 1k72 h ILE 93 Ca 0.05 -1.70 -0.14 0.00 1.08 0.00 0.00 64.86 64.15 1k72 h ILE 93 Cb 0.66 1.79 -0.01 0.00 -1.09 0.00 0.00 36.82 38.17 1k72 h ILE 93 CO 0.04 0.51 -0.43 0.24 -1.08 0.00 0.00 178.15 177.43 1k72 h MET 94 N 0.23 0.57 -0.63 2.19 2.86 -1.16 -0.89 114.93 118.09 1k72 h MET 94 Ca 0.01 -0.30 -0.08 0.00 -2.06 0.00 0.00 59.70 57.27 1k72 h MET 94 Cb 0.94 0.01 -0.03 0.00 0.06 0.00 0.00 31.60 32.59 1k72 h MET 94 CO 0.08 0.90 0.08 -0.44 1.06 0.00 0.00 176.91 178.58 1k72 h ASP 95 N 0.47 1.01 0.07 1.22 3.32 -0.94 -0.60 116.42 120.97 1k72 h ASP 95 Ca 0.03 -0.25 -0.00 0.00 0.02 0.00 0.00 57.03 56.83 1k72 h ASP 95 Cb 0.94 -0.27 0.00 0.00 0.22 0.00 0.00 39.33 40.22 1k72 h ASP 95 CO 0.08 1.02 -0.03 1.23 -1.72 0.00 0.00 179.24 179.82 1k72 h GLY 96 N 1.03 -0.10 0.58 2.75 0.00 -1.02 0.10 103.07 106.42 1k72 h GLY 96 Ca 0.19 0.04 0.09 0.00 0.00 0.00 0.00 47.33 47.64 1k72 h GLY 96 CO 0.02 -0.03 0.51 -2.22 0.00 0.00 0.00 176.54 174.81 1k72 h ILE 97 N -0.27 0.95 -0.29 2.60 2.04 -0.99 -1.45 117.51 120.11 1k72 h ILE 97 Ca -0.01 -0.30 -0.13 0.00 1.00 0.00 0.00 64.86 65.42 1k72 h ILE 97 Cb 0.23 0.00 -0.01 0.00 -0.74 0.00 0.00 36.82 36.30 1k72 h ILE 97 CO 0.02 0.16 -0.37 0.50 0.00 0.00 0.00 178.15 178.45 1k72 h LYS 98 N 0.88 0.66 -0.33 2.37 3.64 -0.98 -1.57 116.57 121.23 1k72 h LYS 98 Ca 0.40 -0.33 0.04 0.00 -1.27 0.00 0.00 60.65 59.50 1k72 h LYS 98 Cb 0.31 0.00 -0.04 0.00 -0.41 0.00 0.00 32.23 32.09 1k72 h LYS 98 CO -0.22 0.93 0.09 2.35 -2.27 0.00 0.00 179.45 180.32 1k72 h TRP 99 N 0.55 0.15 -0.11 1.91 2.91 0.25 0.17 115.95 121.78 1k72 h TRP 99 Ca 0.05 0.02 -0.02 0.00 1.13 0.00 0.00 58.89 60.07 1k72 h TRP 99 Cb 0.89 -0.02 -0.00 0.00 -0.51 0.00 0.00 29.16 29.52 1k72 h TRP 99 CO 0.04 0.05 -0.02 0.00 -1.03 0.00 0.00 178.44 177.48 1k72 h ALA 100 N 1.23 0.15 -0.06 2.65 0.00 -1.31 -3.14 119.26 118.79 1k72 h ALA 100 Ca 0.15 -0.21 -0.09 0.00 0.00 0.00 0.00 54.91 54.76 1k72 h ALA 100 Cb 0.16 -0.04 -0.01 0.00 0.00 0.00 0.00 17.79 17.89 1k72 h ALA 100 CO -0.19 -0.12 -0.37 -0.91 0.00 0.00 0.00 179.25 177.66 1k72 h ASN 101 N -0.10 0.13 -0.74 0.00 2.35 -1.10 -1.75 115.58 114.38 1k72 h ASN 101 Ca 0.03 -0.05 -0.02 0.00 -0.55 0.00 0.00 56.30 55.71 1k72 h ASN 101 Cb 0.42 -0.04 -0.04 0.00 0.05 0.00 0.00 38.32 38.72 1k72 h ASN 101 CO 0.01 0.50 0.40 0.44 -1.65 0.00 0.00 177.43 177.13 1k72 h ASP 102 N 0.11 0.94 -0.33 5.81 3.32 -0.72 -1.50 116.42 124.05 1k72 h ASP 102 Ca 0.01 -0.08 -0.09 0.00 0.02 0.00 0.00 57.03 56.88 1k72 h ASP 102 Cb 0.71 -0.24 -0.01 0.00 0.22 0.00 0.00 39.33 40.02 1k72 h ASP 102 CO 0.05 0.77 -0.16 0.22 -1.72 0.00 0.00 179.24 178.41 1k72 h TYR 103 N 1.05 0.80 -0.55 4.55 3.20 -1.35 -2.35 116.97 122.32 1k72 h TYR 103 Ca 0.26 -0.20 -0.02 0.00 3.14 0.00 0.00 58.73 61.92 1k72 h TYR 103 Cb 0.05 -0.18 -0.03 0.00 1.54 0.00 0.00 36.73 38.11 1k72 h TYR 103 CO 0.01 0.90 0.26 0.74 -1.64 0.00 0.00 178.16 178.43 1k72 h PHE 104 N 0.46 0.77 -0.56 -3.82 0.04 -0.97 -0.60 116.94 112.26 1k72 h PHE 104 Ca 0.07 -0.02 -0.03 0.00 2.80 0.00 0.00 57.97 60.79 1k72 h PHE 104 Cb 0.69 -0.24 -0.03 0.00 2.20 0.00 0.00 35.95 38.57 1k72 h PHE 104 CO 0.06 0.57 0.25 0.82 -0.60 0.00 0.00 178.31 179.41 1k72 h ILE 105 N 0.78 1.22 -0.21 -0.55 2.04 -1.16 -1.80 117.51 117.83 1k72 h ILE 105 Ca 0.19 -0.64 -0.03 0.00 1.00 0.00 0.00 64.86 65.38 1k72 h ILE 105 Cb 0.09 0.59 -0.01 0.00 -0.74 0.00 0.00 36.82 36.74 1k72 h ILE 105 CO -0.03 0.25 0.00 0.11 0.00 0.00 0.00 178.15 178.49 1k72 h LYS 106 N 0.77 0.30 0.00 2.37 1.57 -0.73 -1.98 116.57 118.87 1k72 h LYS 106 Ca 0.19 -0.05 0.00 0.00 -1.87 0.00 0.00 60.65 58.92 1k72 h LYS 106 Cb 0.16 -0.05 0.00 0.00 0.08 0.00 0.00 32.23 32.42 1k72 h LYS 106 CO -0.02 0.33 0.00 0.00 -0.57 0.00 0.00 179.45 179.19 1k72 n ASN 108 N -1.65 4.30 0.27 0.00 4.05 -0.74 -0.34 115.26 121.14 1k72 n ASN 108 Ca 0.04 -3.53 0.15 0.00 0.45 0.00 0.00 54.58 51.69 1k72 n ASN 108 Cb 0.22 -0.70 0.76 0.00 1.23 0.00 0.00 39.78 41.30 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 3.91 0.00 -2.98 1.20 0.13 -1.71 -3.44 132.00 129.12 1k72 h PRO 109 Ca 0.19 0.00 -0.11 0.00 -0.87 0.00 0.00 66.00 65.21 1k72 h PRO 109 Cb 0.60 0.00 -0.20 0.00 0.13 0.00 0.00 31.00 31.53 1k72 h PRO 109 CO 0.88 0.09 -0.25 -0.08 -0.23 0.00 0.00 178.00 178.41 1k72 s THR 110 N -4.03 0.05 0.16 1.56 -1.32 -1.26 -5.11 115.64 105.68 1k72 s THR 110 Ca -0.02 -0.44 -0.34 0.00 -1.21 0.00 0.00 61.69 59.68 1k72 s THR 110 Cb 0.12 -0.63 -0.14 0.00 -1.51 0.00 0.00 72.50 70.34 1k72 s THR 110 CO 0.56 -0.24 1.54 -2.65 -2.21 0.00 0.00 174.62 171.61 1k72 n PRO 111 N 1.28 2.01 -0.24 7.08 -0.02 -1.26 -2.47 135.00 141.39 1k72 n PRO 111 Ca -0.21 0.72 0.00 0.00 -2.02 0.00 0.00 63.50 61.99 1k72 n PRO 111 Cb 0.56 -2.47 0.00 0.00 -0.02 0.00 0.00 33.50 31.57 1k72 n PRO 111 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1k72 n GLY 112 N 3.23 0.95 3.26 -1.23 0.00 -1.26 -5.05 105.19 105.08 1k72 n GLY 112 Ca 0.17 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.87 1k72 n GLY 112 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1k72 s VAL 113 N -2.66 2.10 -0.08 1.61 1.01 -1.03 -4.30 120.40 117.05 1k72 s VAL 113 Ca 0.00 -1.04 -0.03 0.00 0.00 0.00 0.00 61.98 60.91 1k72 s VAL 113 Cb 0.00 -1.77 0.05 0.00 0.00 0.00 0.00 36.38 34.65 1k72 s VAL 113 CO 0.00 0.57 0.13 -0.47 0.00 0.00 0.00 175.10 175.33 1k72 s TYR 114 N -0.00 -0.09 -0.28 5.22 5.04 -0.82 -4.30 117.35 122.12 1k72 s TYR 114 Ca -0.08 0.43 -0.26 0.00 -2.44 0.00 0.00 57.07 54.71 1k72 s TYR 114 Cb -0.15 -0.36 0.01 0.00 0.35 0.00 0.00 41.96 41.81 1k72 s TYR 114 CO 0.05 -0.28 0.93 0.71 -1.34 0.00 0.00 175.55 175.62 1k72 s TYR 115 N 2.25 3.24 -2.04 4.97 2.02 0.53 -0.49 117.35 127.83 1k72 s TYR 115 Ca 0.04 1.13 0.17 0.00 -0.37 0.00 0.00 57.07 58.04 1k72 s TYR 115 Cb -0.12 -3.33 0.19 0.00 -0.40 0.00 0.00 41.96 38.30 1k72 s TYR 115 CO -0.05 -0.57 1.11 2.48 -1.57 0.00 0.00 175.55 176.94 1k72 n TYR 116 N 6.37 0.12 -3.57 2.71 0.18 0.02 -4.82 117.16 118.18 1k72 n TYR 116 Ca 0.08 -0.08 -0.15 0.00 1.88 0.00 0.00 57.90 59.63 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 -1.37 0.85 -0.14 -3.48 0.74 -1.22 -2.18 119.66 112.86 1k72 s GLN 117 Ca 0.23 0.45 -0.03 0.00 0.05 0.00 0.00 55.36 56.06 1k72 s GLN 117 Cb 0.15 0.40 0.05 0.00 1.10 0.00 0.00 33.01 34.71 1k72 s GLN 117 CO 0.22 -0.21 0.03 0.08 -0.55 0.00 0.00 175.29 174.86 1k72 s VAL 118 N -0.64 0.36 0.00 1.34 1.01 -0.83 -1.57 120.40 120.07 1k72 s VAL 118 Ca -0.05 -0.24 0.00 0.00 0.00 0.00 0.00 61.98 61.69 1k72 s VAL 118 Cb -0.02 -0.77 0.00 0.00 0.00 0.00 0.00 36.38 35.60 1k72 s VAL 118 CO 0.04 -0.05 0.00 0.61 0.00 0.00 0.00 175.10 175.70 1k72 n GLY 119 N 5.13 3.45 3.44 4.51 0.00 0.44 -1.26 105.19 120.90 1k72 n GLY 119 Ca -0.08 -1.76 -0.35 0.00 0.00 0.00 0.00 46.02 43.84 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 4.81 0.17 1.61 2.15 -1.26 -4.70 116.67 119.44 1k72 s ASP 120 Ca 0.00 -0.21 -0.17 0.00 0.43 0.00 0.00 52.55 52.60 1k72 s ASP 120 Cb 0.00 -1.82 0.10 0.00 -0.30 0.00 0.00 42.92 40.89 1k72 s ASP 120 CO 0.00 0.06 1.67 1.23 -0.17 0.00 0.00 175.17 177.96 1k72 h GLY 121 N 7.51 0.30 0.99 2.66 0.00 -1.96 0.11 103.07 112.68 1k72 h GLY 121 Ca -0.36 0.13 -0.02 0.00 0.00 0.00 0.00 47.33 47.07 1k72 h GLY 121 CO 0.61 -0.15 -0.24 -1.33 0.00 0.00 0.00 176.54 175.43 1k72 h GLY 122 N 0.01 -0.69 0.94 4.60 0.00 -1.96 -1.13 103.07 104.84 1k72 h GLY 122 Ca 0.19 0.26 -0.02 0.00 0.00 0.00 0.00 47.33 47.76 1k72 h GLY 122 CO -0.41 -0.25 0.17 0.50 0.00 0.00 0.00 176.54 176.55 1k72 h LYS 123 N -0.68 0.53 -0.54 4.80 1.57 -1.93 -2.45 116.57 117.87 1k72 h LYS 123 Ca -0.07 -0.08 0.02 0.00 -1.87 0.00 0.00 60.65 58.65 1k72 h LYS 123 Cb 0.52 -0.09 -0.03 0.00 0.08 0.00 0.00 32.23 32.70 1k72 h LYS 123 CO 0.11 0.49 0.33 0.22 -0.57 0.00 0.00 179.45 180.03 1k72 h ASP 124 N 0.45 0.55 0.80 0.86 1.82 -0.76 -2.57 116.42 117.57 1k72 h ASP 124 Ca 0.13 -0.00 0.00 0.00 -0.39 0.00 0.00 57.03 56.76 1k72 h ASP 124 Cb 0.14 -0.12 0.00 0.00 0.68 0.00 0.00 39.33 40.03 1k72 h ASP 124 CO -0.01 0.39 0.00 1.41 -1.61 0.00 0.00 179.24 179.41 1k72 n HIS 125 N -4.76 0.26 1.40 0.28 8.25 -0.43 -3.26 115.22 116.96 1k72 n HIS 125 Ca 0.04 0.09 0.14 0.00 -0.26 0.00 0.00 57.72 57.74 1k72 n HIS 125 Cb 0.06 -0.65 0.74 0.00 1.12 0.00 0.00 29.99 31.27 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 -1.73 0.00 -4.11 0.41 3.41 -0.94 -4.77 113.62 105.89 1k72 n SER 126 Ca 0.04 -0.16 -0.25 0.00 -0.26 0.00 0.00 58.87 58.25 1k72 n SER 126 Cb 0.26 -0.28 -0.16 0.00 -0.26 0.00 0.00 64.21 63.77 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 -2.55 1.60 -0.48 7.33 -0.00 -1.20 -5.11 118.94 118.52 1k72 s TRP 127 Ca 0.28 -0.45 -0.01 0.00 -0.00 0.00 0.00 56.10 55.92 1k72 s TRP 127 Cb 0.20 -1.08 0.13 0.00 -0.00 0.00 0.00 33.47 32.71 1k72 s TRP 127 CO 0.45 -0.16 0.27 -0.46 -0.00 0.00 0.00 176.95 177.05 1k72 s TRP 128 N 0.06 3.51 0.25 5.86 -0.11 -1.26 -5.02 118.94 122.23 1k72 s TRP 128 Ca -0.04 -2.67 -0.21 0.00 1.22 0.00 0.00 56.10 54.40 1k72 s TRP 128 Cb -0.11 -3.14 0.06 0.00 -1.50 0.00 0.00 33.47 28.79 1k72 s TRP 128 CO 0.02 -0.90 0.93 0.20 -4.62 0.00 0.00 176.95 172.58 1k72 s GLY 129 N 1.10 0.12 0.39 5.86 0.00 -1.26 -3.63 107.32 109.90 1k72 s GLY 129 Ca 0.12 -0.38 -0.26 0.00 0.00 0.00 0.00 44.72 44.20 1k72 s GLY 129 CO -0.04 1.00 1.24 -4.14 0.00 0.00 0.00 173.10 171.16 1k72 s PRO 130 N -2.52 4.09 0.33 2.90 0.02 -1.26 -4.32 135.00 134.24 1k72 s PRO 130 Ca 0.17 2.02 0.09 0.00 0.02 0.00 0.00 61.00 63.30 1k72 s PRO 130 Cb -0.03 -2.79 0.82 0.00 0.02 0.00 0.00 34.50 32.52 1k72 s PRO 130 CO 0.07 -0.34 1.80 0.00 -0.33 0.00 0.00 177.00 178.19 1k72 h ALA 131 N 2.82 1.81 0.00 -1.55 0.00 -1.93 -2.45 119.26 117.96 1k72 h ALA 131 Ca -0.49 0.06 -0.00 0.00 0.00 0.00 0.00 54.91 54.48 1k72 h ALA 131 Cb 1.24 -0.07 -0.00 0.00 0.00 0.00 0.00 17.79 18.95 1k72 h ALA 131 CO 0.63 -0.16 -0.02 0.93 0.00 0.00 0.00 179.25 180.64 1k72 h GLU 132 N 0.68 0.00 -0.07 0.00 3.07 -1.87 -3.02 114.58 113.38 1k72 h GLU 132 Ca 0.55 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 59.41 1k72 h GLU 132 Cb 0.96 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.87 1k72 h GLU 132 CO -0.33 0.02 0.00 1.33 -1.40 0.00 0.00 179.01 178.63 1k72 n VAL 133 N -3.71 1.76 -1.62 3.13 0.24 -0.92 -4.87 118.33 112.34 1k72 n VAL 133 Ca -0.03 -1.91 -0.47 0.00 -2.04 0.00 0.00 64.34 59.89 1k72 n VAL 133 Cb 0.10 -0.08 -0.03 0.00 -1.47 0.00 0.00 33.84 32.37 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 -1.00 1.54 -0.00 7.34 2.81 -1.14 -4.89 117.12 121.78 1k72 n MET 134 Ca 0.14 0.55 0.04 0.00 -1.81 0.00 0.00 57.70 56.62 1k72 n MET 134 Cb 0.61 -2.10 -0.05 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 1.76 2.45 -1.65 0.03 1.13 -1.26 -5.03 117.38 114.81 1k72 n GLN 135 Ca 0.13 -0.03 -0.30 0.00 -1.94 0.00 0.00 57.00 54.85 1k72 n GLN 135 Cb 0.28 -1.02 0.07 0.00 0.11 0.00 0.00 30.24 29.69 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 -2.12 2.43 0.52 -1.09 0.23 -1.26 -5.02 119.30 113.00 1k72 s MET 136 Ca 0.00 0.63 -0.21 0.00 -1.03 0.00 0.00 55.69 55.09 1k72 s MET 136 Cb 0.05 -1.96 -0.06 0.00 -1.53 0.00 0.00 34.83 31.34 1k72 s MET 136 CO 0.32 -1.38 1.16 -1.21 -2.03 0.00 0.00 175.02 171.89 1k72 s GLU 137 N -5.20 3.42 -0.54 3.16 0.41 -1.26 -5.00 118.70 113.70 1k72 s GLU 137 Ca 0.60 1.72 0.05 0.00 -0.41 0.00 0.00 54.97 56.93 1k72 s GLU 137 Cb -0.13 -2.13 0.18 0.00 -1.78 0.00 0.00 34.13 30.26 1k72 s GLU 137 CO 0.54 -0.82 0.44 0.54 -0.49 0.00 0.00 175.26 175.47 1k72 n ARG 138 N -1.07 0.99 -2.07 1.61 1.74 -1.26 -4.64 116.66 111.97 1k72 n ARG 138 Ca 0.10 -3.77 -0.37 0.00 -0.77 0.00 0.00 57.85 53.05 1k72 n ARG 138 Cb 0.50 -1.91 0.02 0.00 -1.02 0.00 0.00 32.46 30.05 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 -0.77 3.34 0.05 5.56 0.04 -1.26 -4.22 135.00 137.74 1k72 s PRO 139 Ca 0.31 1.90 -0.06 0.00 0.04 0.00 0.00 61.00 63.18 1k72 s PRO 139 Cb 0.03 -2.20 -0.05 0.00 0.04 0.00 0.00 34.50 32.32 1k72 s PRO 139 CO -0.17 -0.93 0.30 -1.12 0.04 0.00 0.00 177.00 175.12 1k72 s SER 140 N -1.35 6.50 0.01 6.66 0.01 -1.26 -0.42 113.70 123.84 1k72 s SER 140 Ca 0.70 0.56 0.04 0.00 1.31 0.00 0.00 55.95 58.56 1k72 s SER 140 Cb -0.32 -2.08 -0.01 0.00 0.21 0.00 0.00 66.02 63.81 1k72 s SER 140 CO 0.37 0.19 -0.12 -0.36 0.41 0.00 0.00 173.24 173.73 1k72 s PHE 141 N -1.42 1.02 0.11 2.43 0.08 -0.61 -5.01 117.98 114.59 1k72 s PHE 141 Ca 0.32 -0.25 0.03 0.00 0.12 0.00 0.00 56.93 57.16 1k72 s PHE 141 Cb -0.13 -0.64 -0.04 0.00 -0.57 0.00 0.00 43.02 41.64 1k72 s PHE 141 CO 0.20 -0.01 -0.09 -1.59 -0.10 0.00 0.00 175.22 173.63 1k72 s LYS 142 N -0.56 0.89 0.19 0.44 -2.85 -1.26 -0.80 119.74 115.79 1k72 s LYS 142 Ca 0.03 -1.29 0.11 0.00 -1.00 0.00 0.00 55.97 53.82 1k72 s LYS 142 Cb -0.05 -0.43 -0.04 0.00 -2.06 0.00 0.00 37.83 35.24 1k72 s LYS 142 CO 0.00 0.04 -0.24 0.14 0.10 0.00 0.00 175.35 175.39 1k72 s VAL 143 N -3.10 2.37 0.00 1.79 -7.23 0.36 -4.93 120.40 109.66 1k72 s VAL 143 Ca 0.10 -2.01 0.00 0.00 -1.81 0.00 0.00 61.98 58.27 1k72 s VAL 143 Cb 0.01 -2.13 0.00 0.00 0.56 0.00 0.00 36.38 34.83 1k72 s VAL 143 CO -0.02 -0.10 0.00 -0.90 -0.31 0.00 0.00 175.10 173.77 1k72 n ASP 144 N 0.30 0.00 -0.19 4.85 5.68 -0.40 -1.95 116.55 124.84 1k72 n ASP 144 Ca -0.13 -0.86 -0.02 0.00 -0.50 0.00 0.00 54.79 53.28 1k72 n ASP 144 Cb 0.56 0.00 0.20 0.00 -1.14 0.00 0.00 41.12 40.74 1k72 n ASP 144 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 1k72 h ALA 145 N 1.89 1.31 0.00 2.12 0.00 -1.96 -2.56 119.26 120.06 1k72 h ALA 145 Ca 0.00 -0.13 -0.09 0.00 0.00 0.00 0.00 54.91 54.69 1k72 h ALA 145 Cb 0.00 -0.27 -0.01 0.00 0.00 0.00 0.00 17.79 17.50 1k72 h ALA 145 CO 0.00 0.54 -0.42 0.66 0.00 0.00 0.00 179.25 180.03 1k72 h SER 146 N 0.96 0.00 -2.90 0.00 4.64 -1.96 -3.37 113.55 110.92 1k72 h SER 146 Ca 0.24 0.00 -0.59 0.00 -0.47 0.00 0.00 61.79 60.96 1k72 h SER 146 Cb 0.08 0.00 -0.39 0.00 -0.31 0.00 0.00 62.40 61.78 1k72 h SER 146 CO -0.03 0.42 -0.82 -0.54 -0.87 0.00 0.00 176.83 174.99 1k72 s LYS 147 N -3.55 0.96 0.61 4.77 3.01 -0.99 -4.95 119.74 119.60 1k72 s LYS 147 Ca 0.00 -1.80 -0.15 0.00 -1.01 0.00 0.00 55.97 53.01 1k72 s LYS 147 Cb 0.11 -1.79 -0.03 0.00 -1.01 0.00 0.00 37.83 35.11 1k72 s LYS 147 CO 0.70 -1.23 1.07 -1.25 0.51 0.00 0.00 175.35 175.15 1k72 s PRO 148 N 0.52 3.20 -0.41 -1.68 0.04 -1.06 -1.27 135.00 134.34 1k72 s PRO 148 Ca 0.21 1.23 0.08 0.00 0.04 0.00 0.00 61.00 62.56 1k72 s PRO 148 Cb -0.18 -2.01 0.27 0.00 0.04 0.00 0.00 34.50 32.61 1k72 s PRO 148 CO -0.04 -0.91 0.66 0.41 0.04 0.00 0.00 177.00 177.17 1k72 n GLY 149 N -0.92 2.20 0.15 0.56 0.00 -1.19 0.67 105.19 106.66 1k72 n GLY 149 Ca 0.09 -1.11 -0.06 0.00 0.00 0.00 0.00 46.02 44.94 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 3.81 -0.12 -0.02 1.61 0.02 -0.89 -0.59 113.55 117.36 1k72 h SER 150 Ca 0.02 0.08 0.01 0.00 -0.84 0.00 0.00 61.79 61.05 1k72 h SER 150 Cb 0.94 0.13 -0.01 0.00 0.14 0.00 0.00 62.40 63.60 1k72 h SER 150 CO 0.42 -0.03 -0.02 0.00 -1.14 0.00 0.00 176.83 176.07 1k72 h ALA 151 N 1.29 0.00 -0.10 3.77 0.00 -1.83 -0.67 119.26 121.72 1k72 h ALA 151 Ca 0.16 0.01 -0.12 0.00 0.00 0.00 0.00 54.91 54.96 1k72 h ALA 151 Cb 0.22 0.04 -0.01 0.00 0.00 0.00 0.00 17.79 18.03 1k72 h ALA 151 CO -0.27 -0.51 -0.46 -0.24 0.00 0.00 0.00 179.25 177.77 1k72 h VAL 152 N -0.02 1.33 -0.21 0.00 3.04 -1.92 0.21 116.25 118.69 1k72 h VAL 152 Ca 0.01 -1.65 -0.09 0.00 -1.01 0.00 0.00 66.70 63.96 1k72 h VAL 152 Cb 0.04 1.77 -0.00 0.00 -2.01 0.00 0.00 31.29 31.09 1k72 h VAL 152 CO -0.03 0.49 -0.22 0.00 -1.01 0.00 0.00 177.57 176.80 1k72 h ALA 154 N 0.65 0.68 -0.63 0.00 0.00 -1.04 -0.12 119.26 118.79 1k72 h ALA 154 Ca 0.03 -0.45 -0.04 0.00 0.00 0.00 0.00 54.91 54.46 1k72 h ALA 154 Cb 0.78 -0.12 -0.03 0.00 0.00 0.00 0.00 17.79 18.42 1k72 h ALA 154 CO 0.05 0.67 0.23 1.03 0.00 0.00 0.00 179.25 181.24 1k72 h SER 155 N 0.68 0.86 -0.35 0.00 0.87 -0.56 0.87 113.55 115.92 1k72 h SER 155 Ca 0.06 -0.13 -0.16 0.00 -1.23 0.00 0.00 61.79 60.33 1k72 h SER 155 Cb 0.94 -0.22 -0.00 0.00 -0.44 0.00 0.00 62.40 62.67 1k72 h SER 155 CO 0.09 0.78 -0.42 0.74 -0.53 0.00 0.00 176.83 177.49 1k72 h THR 156 N 0.92 1.27 -0.73 2.23 2.02 -1.07 -1.85 112.91 115.69 1k72 h THR 156 Ca 0.21 -1.60 -0.01 0.00 0.77 0.00 0.00 66.41 65.79 1k72 h THR 156 Cb 0.21 1.43 -0.04 0.00 -1.74 0.00 0.00 68.15 68.01 1k72 h THR 156 CO -0.02 0.53 0.43 0.00 0.37 0.00 0.00 175.52 176.83 1k72 h ALA 157 N 0.78 0.94 -0.56 6.16 0.00 -0.34 -0.22 119.26 126.01 1k72 h ALA 157 Ca 0.05 -0.10 -0.01 0.00 0.00 0.00 0.00 54.91 54.86 1k72 h ALA 157 Cb 1.01 -0.29 -0.03 0.00 0.00 0.00 0.00 17.79 18.48 1k72 h ALA 157 CO 0.10 0.42 0.32 0.00 0.00 0.00 0.00 179.25 180.10 1k72 h ALA 158 N 1.22 0.71 -0.11 0.00 0.00 -0.67 0.20 119.26 120.61 1k72 h ALA 158 Ca 0.26 -0.08 0.00 0.00 0.00 0.00 0.00 54.91 55.09 1k72 h ALA 158 Cb -0.01 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 17.55 1k72 h ALA 158 CO -0.05 0.21 0.07 1.03 0.00 0.00 0.00 179.25 180.51 1k72 h SER 159 N 0.75 0.12 -0.62 0.00 0.87 -0.84 -0.51 113.55 113.32 1k72 h SER 159 Ca 0.20 -0.00 -0.03 0.00 -1.23 0.00 0.00 61.79 60.72 1k72 h SER 159 Cb 0.01 -0.03 -0.03 0.00 -0.44 0.00 0.00 62.40 61.92 1k72 h SER 159 CO -0.03 0.09 0.26 -0.07 -0.53 0.00 0.00 176.83 176.54 1k72 h LEU 160 N 0.14 0.85 -0.34 2.23 3.38 -0.62 -0.47 115.31 120.48 1k72 h LEU 160 Ca 0.04 -0.16 -0.15 0.00 0.09 0.00 0.00 57.88 57.69 1k72 h LEU 160 Cb -0.01 -0.22 -0.00 0.00 0.09 0.00 0.00 40.66 40.51 1k72 h LEU 160 CO -0.01 0.78 -0.38 0.00 0.09 0.00 0.00 178.44 178.91 1k72 h ALA 161 N 1.10 0.51 -0.26 1.53 0.00 -0.56 -0.57 119.26 121.01 1k72 h ALA 161 Ca 0.21 -0.45 -0.10 0.00 0.00 0.00 0.00 54.91 54.57 1k72 h ALA 161 Cb 0.19 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 17.86 1k72 h ALA 161 CO -0.02 0.61 -0.27 0.66 0.00 0.00 0.00 179.25 180.23 1k72 h SER 162 N 0.66 0.52 -0.65 0.00 4.64 -0.98 -1.49 113.55 116.25 1k72 h SER 162 Ca 0.05 -0.18 -0.07 0.00 -0.47 0.00 0.00 61.79 61.11 1k72 h SER 162 Cb 0.98 -0.14 -0.03 0.00 -0.31 0.00 0.00 62.40 62.90 1k72 h SER 162 CO 0.09 0.77 0.12 0.00 -0.87 0.00 0.00 176.83 176.95 1k72 h ALA 163 N 1.27 0.96 -0.66 5.18 0.00 -0.86 -2.35 119.26 122.80 1k72 h ALA 163 Ca 0.06 -0.26 0.00 0.00 0.00 0.00 0.00 54.91 54.72 1k72 h ALA 163 Cb 0.70 -0.25 -0.03 0.00 0.00 0.00 0.00 17.79 18.21 1k72 h ALA 163 CO 0.05 0.65 0.43 0.00 0.00 0.00 0.00 179.25 180.39 1k72 h ALA 164 N 1.11 0.84 -0.18 0.00 0.00 -0.43 -0.52 119.26 120.09 1k72 h ALA 164 Ca 0.20 -0.05 0.02 0.00 0.00 0.00 0.00 54.91 55.08 1k72 h ALA 164 Cb 0.41 -0.27 -0.02 0.00 0.00 0.00 0.00 17.79 17.92 1k72 h ALA 164 CO 0.01 0.28 0.06 0.28 0.00 0.00 0.00 179.25 179.88 1k72 h VAL 165 N 0.90 0.96 0.00 0.00 2.07 -0.92 -0.87 116.25 118.38 1k72 h VAL 165 Ca 0.24 -0.05 0.00 0.00 0.82 0.00 0.00 66.70 67.71 1k72 h VAL 165 Cb -0.09 0.80 0.00 0.00 -1.52 0.00 0.00 31.29 30.48 1k72 h VAL 165 CO -0.05 0.03 0.00 -0.37 0.02 0.00 0.00 177.57 177.20 1k72 h VAL 166 N 0.15 0.00 0.00 2.57 -1.51 -1.12 -3.28 116.25 113.06 1k72 h VAL 166 Ca 0.08 -0.60 0.00 0.00 -1.23 0.00 0.00 66.70 64.94 1k72 h VAL 166 Cb 0.04 1.59 0.00 0.00 -2.13 0.00 0.00 31.29 30.79 1k72 h VAL 166 CO -0.08 0.00 -1.61 0.49 -1.23 0.00 0.00 177.57 175.14 1k72 n PHE 167 N -2.50 0.12 -0.34 5.19 3.72 -0.23 -4.59 117.46 118.84 1k72 n PHE 167 Ca 0.05 0.04 0.15 0.00 -0.05 0.00 0.00 57.45 57.63 1k72 n PHE 167 Cb 0.44 -0.45 0.34 0.00 -0.94 0.00 0.00 39.48 38.88 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 0.59 -0.40 -1.08 3.64 -1.21 0.18 116.57 118.28 1k72 h LYS 168 Ca 0.00 -0.04 -0.08 0.00 -1.27 0.00 0.00 60.65 59.27 1k72 h LYS 168 Cb 0.88 -0.13 -0.01 0.00 -0.41 0.00 0.00 32.23 32.55 1k72 h LYS 168 CO 0.00 0.39 -0.06 0.77 -2.27 0.00 0.00 179.45 178.28 1k72 h SER 169 N 0.60 0.75 0.46 4.20 0.02 -1.82 -3.01 113.55 114.75 1k72 h SER 169 Ca 0.60 -0.34 -0.12 0.00 -0.84 0.00 0.00 61.79 61.08 1k72 h SER 169 Cb 1.07 -0.20 -0.02 0.00 0.14 0.00 0.00 62.40 63.38 1k72 h SER 169 CO -0.45 0.91 -1.65 -1.54 -1.14 0.00 0.00 176.83 172.97 1k72 n SER 170 N -4.37 0.49 -3.03 3.07 3.41 -1.00 -4.70 113.62 107.48 1k72 n SER 170 Ca -0.01 0.21 -0.18 0.00 -0.26 0.00 0.00 58.87 58.63 1k72 n SER 170 Cb 0.33 0.85 -0.03 0.00 -0.26 0.00 0.00 64.21 65.11 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 -2.65 -1.16 -0.05 4.04 -0.08 0.59 -5.00 116.55 112.25 1k72 n ASP 171 Ca -0.10 -2.89 0.20 0.00 -1.51 0.00 0.00 54.79 50.49 1k72 n ASP 171 Cb 0.76 0.36 0.65 0.00 2.34 0.00 0.00 41.12 45.23 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 4.20 0.09 -0.26 -0.67 0.13 -1.64 -1.85 132.00 132.00 1k72 h PRO 172 Ca 0.01 -0.01 -0.13 0.00 -0.87 0.00 0.00 66.00 65.00 1k72 h PRO 172 Cb 0.95 -0.02 -0.00 0.00 0.13 0.00 0.00 31.00 32.06 1k72 h PRO 172 CO 0.38 0.06 -0.36 1.15 -0.23 0.00 0.00 178.00 179.00 1k72 h THR 173 N 0.09 1.31 -0.56 1.56 2.02 -1.92 -1.71 112.91 113.71 1k72 h THR 173 Ca 0.29 -1.55 -0.10 0.00 0.77 0.00 0.00 66.41 65.82 1k72 h THR 173 Cb 1.02 1.69 -0.02 0.00 -1.74 0.00 0.00 68.15 69.10 1k72 h THR 173 CO -0.03 0.49 -0.04 0.22 0.37 0.00 0.00 175.52 176.53 1k72 h TYR 174 N 0.42 1.08 -0.97 3.16 -0.00 -1.75 -0.74 116.97 118.17 1k72 h TYR 174 Ca 0.03 -0.19 0.03 0.00 -0.00 0.00 0.00 58.73 58.60 1k72 h TYR 174 Cb 0.94 -0.28 -0.06 0.00 -0.00 0.00 0.00 36.73 37.34 1k72 h TYR 174 CO 0.08 0.98 0.63 0.00 -0.00 0.00 0.00 178.16 179.85 1k72 h ALA 175 N 1.04 1.27 -0.43 1.82 0.00 -1.27 0.15 119.26 121.85 1k72 h ALA 175 Ca 0.16 -0.05 -0.12 0.00 0.00 0.00 0.00 54.91 54.90 1k72 h ALA 175 Cb 0.58 -0.35 -0.01 0.00 0.00 0.00 0.00 17.79 18.01 1k72 h ALA 175 CO 0.03 0.53 -0.20 0.93 0.00 0.00 0.00 179.25 180.54 1k72 h GLU 176 N 1.23 0.85 -0.48 0.00 4.39 -0.86 -1.32 114.58 118.39 1k72 h GLU 176 Ca 0.38 -0.34 -0.01 0.00 0.34 0.00 0.00 59.36 59.74 1k72 h GLU 176 Cb -0.02 -0.04 -0.02 0.00 -0.10 0.00 0.00 28.75 28.57 1k72 h GLU 176 CO -0.12 0.97 0.26 -0.22 -1.16 0.00 0.00 179.01 178.75 1k72 h LYS 177 N 0.74 0.67 -0.53 2.33 1.63 0.21 -0.92 116.57 120.70 1k72 h LYS 177 Ca 0.10 -0.08 -0.03 0.00 -0.85 0.00 0.00 60.65 59.79 1k72 h LYS 177 Cb 0.73 -0.13 -0.02 0.00 -0.60 0.00 0.00 32.23 32.20 1k72 h LYS 177 CO 0.06 0.52 0.20 0.00 -3.45 0.00 0.00 179.45 176.78 1k72 h ILE 179 N 0.73 1.23 -0.21 0.00 2.04 -0.88 0.36 117.51 120.77 1k72 h ILE 179 Ca 0.18 -0.60 0.02 0.00 1.00 0.00 0.00 64.86 65.46 1k72 h ILE 179 Cb 0.23 0.22 -0.02 0.00 -0.74 0.00 0.00 36.82 36.51 1k72 h ILE 179 CO -0.01 0.26 0.09 0.28 0.00 0.00 0.00 178.15 178.77 1k72 h SER 180 N 1.07 0.12 -0.01 1.72 0.02 -0.97 0.39 113.55 115.88 1k72 h SER 180 Ca 0.27 0.01 -0.14 0.00 -0.84 0.00 0.00 61.79 61.10 1k72 h SER 180 Cb 0.05 -0.00 -0.01 0.00 0.14 0.00 0.00 62.40 62.57 1k72 h SER 180 CO -0.04 0.10 -0.43 0.45 -1.14 0.00 0.00 176.83 175.76 1k72 h HIS 181 N 0.20 0.65 -0.67 3.45 3.86 -1.32 -2.74 115.15 118.57 1k72 h HIS 181 Ca 0.09 -0.20 -0.02 0.00 -1.16 0.00 0.00 60.37 59.08 1k72 h HIS 181 Cb 0.04 -0.14 -0.03 0.00 1.06 0.00 0.00 27.41 28.34 1k72 h HIS 181 CO -0.11 0.89 0.33 0.00 0.86 0.00 0.00 177.93 179.89 1k72 h ALA 182 N 1.09 0.87 -0.74 2.45 0.00 -0.53 -1.50 119.26 120.89 1k72 h ALA 182 Ca 0.03 -0.14 -0.00 0.00 0.00 0.00 0.00 54.91 54.80 1k72 h ALA 182 Cb 0.94 -0.27 -0.04 0.00 0.00 0.00 0.00 17.79 18.43 1k72 h ALA 182 CO 0.08 0.43 0.46 0.87 0.00 0.00 0.00 179.25 181.09 1k72 h LYS 183 N 0.93 1.00 -0.37 0.00 1.57 -0.85 -0.04 116.57 118.82 1k72 h LYS 183 Ca 0.23 -0.08 -0.07 0.00 -1.87 0.00 0.00 60.65 58.86 1k72 h LYS 183 Cb 0.12 -0.21 -0.01 0.00 0.08 0.00 0.00 32.23 32.20 1k72 h LYS 183 CO -0.03 0.70 -0.03 -0.97 -0.57 0.00 0.00 179.45 178.55 1k72 h ASN 184 N 1.01 0.66 -0.38 0.86 -0.73 -1.14 -1.48 115.58 114.38 1k72 h ASN 184 Ca 0.27 -0.33 -0.12 0.00 1.87 0.00 0.00 56.30 57.99 1k72 h ASN 184 Cb -0.05 -0.18 -0.01 0.00 0.27 0.00 0.00 38.32 38.34 1k72 h ASN 184 CO -0.05 0.83 -0.21 -0.07 -0.37 0.00 0.00 177.43 177.56 1k72 h LEU 185 N 0.48 0.89 -0.52 0.34 3.38 -1.11 -1.35 115.31 117.42 1k72 h LEU 185 Ca 0.10 -0.33 -0.08 0.00 0.09 0.00 0.00 57.88 57.67 1k72 h LEU 185 Cb 0.51 -0.25 -0.02 0.00 0.09 0.00 0.00 40.66 41.00 1k72 h LEU 185 CO 0.02 1.08 0.03 0.15 0.09 0.00 0.00 178.44 179.81 1k72 h PHE 186 N 0.76 0.97 -0.66 1.13 3.57 -0.98 -1.08 116.94 120.65 1k72 h PHE 186 Ca 0.10 -0.16 0.03 0.00 3.53 0.00 0.00 57.97 61.47 1k72 h PHE 186 Cb 0.75 -0.26 -0.04 0.00 2.79 0.00 0.00 35.95 39.19 1k72 h PHE 186 CO 0.04 0.89 0.41 0.22 -2.23 0.00 0.00 178.31 177.65 1k72 h ASP 187 N 0.78 0.68 -0.14 0.41 3.58 -1.01 0.21 116.42 120.93 1k72 h ASP 187 Ca 0.15 -0.00 0.01 0.00 0.42 0.00 0.00 57.03 57.61 1k72 h ASP 187 Cb 0.48 -0.15 -0.02 0.00 1.72 0.00 0.00 39.33 41.37 1k72 h ASP 187 CO 0.02 0.48 0.04 0.24 -2.88 0.00 0.00 179.24 177.14 1k72 h MET 188 N 0.82 0.10 -0.54 0.28 2.86 -0.96 0.23 114.93 117.71 1k72 h MET 188 Ca 0.26 -0.01 -0.04 0.00 -2.06 0.00 0.00 59.70 57.86 1k72 h MET 188 Cb 0.00 -0.02 -0.02 0.00 0.06 0.00 0.00 31.60 31.62 1k72 h MET 188 CO -0.10 0.07 0.20 0.00 1.06 0.00 0.00 176.91 178.14 1k72 h ALA 189 N 1.09 0.70 -0.31 6.32 0.00 -0.65 -2.26 119.26 124.14 1k72 h ALA 189 Ca 0.06 -0.17 -0.16 0.00 0.00 0.00 0.00 54.91 54.64 1k72 h ALA 189 Cb 0.04 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 17.62 1k72 h ALA 189 CO -0.07 0.33 -0.44 0.22 0.00 0.00 0.00 179.25 179.29 1k72 h ASP 190 N 0.74 0.86 -0.37 0.00 3.58 -0.46 -1.41 116.42 119.36 1k72 h ASP 190 Ca 0.18 -0.42 -0.06 0.00 0.42 0.00 0.00 57.03 57.15 1k72 h ASP 190 Cb 0.23 -0.24 -0.01 0.00 1.72 0.00 0.00 39.33 41.02 1k72 h ASP 190 CO -0.01 1.18 -0.00 0.11 -2.88 0.00 0.00 179.24 177.64 1k72 h LYS 191 N 0.64 0.66 -0.06 0.28 1.79 -0.89 -3.34 116.57 115.65 1k72 h LYS 191 Ca 0.04 -0.21 -0.11 0.00 -2.18 0.00 0.00 60.65 58.19 1k72 h LYS 191 Cb 1.02 -0.06 0.01 0.00 -1.58 0.00 0.00 32.23 31.61 1k72 h LYS 191 CO 0.10 0.77 -0.39 0.00 -1.08 0.00 0.00 179.45 178.84 1k72 h ALA 192 N 0.87 0.13 -6.60 3.86 0.00 -1.38 -3.48 119.26 112.66 1k72 h ALA 192 Ca 0.11 -0.47 -0.52 0.00 0.00 0.00 0.00 54.91 54.02 1k72 h ALA 192 Cb 0.47 -0.00 -0.04 0.00 0.00 0.00 0.00 17.79 18.22 1k72 h ALA 192 CO 0.02 0.25 -0.94 1.63 0.00 0.00 0.00 179.25 180.21 1k72 n LYS 193 N -4.36 -1.88 -3.59 0.00 5.02 -0.53 -4.96 118.16 107.86 1k72 n LYS 193 Ca -0.09 0.31 -0.12 0.00 -2.02 0.00 0.00 58.31 56.40 1k72 n LYS 193 Cb 0.55 -3.93 -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 -4.01 -0.46 -0.03 4.39 0.15 -1.26 -5.02 113.70 107.46 1k72 s SER 194 Ca 0.20 0.64 0.12 0.00 0.70 0.00 0.00 55.95 57.61 1k72 s SER 194 Cb -0.09 0.56 0.37 0.00 -1.71 0.00 0.00 66.02 65.15 1k72 s SER 194 CO 0.91 -0.33 1.31 0.47 1.20 0.00 0.00 173.24 176.80 1k72 n ASP 195 N 1.26 3.18 0.01 5.45 8.00 -1.26 -0.23 116.55 132.96 1k72 n ASP 195 Ca -0.12 -2.16 0.21 0.00 0.71 0.00 0.00 54.79 53.43 1k72 n ASP 195 Cb 0.57 -0.30 0.71 0.00 -0.02 0.00 0.00 41.12 42.08 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 2.19 2.42 -0.02 2.24 0.00 -1.95 -0.57 119.26 123.56 1k72 h ALA 196 Ca 0.00 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.89 1k72 h ALA 196 Cb 0.87 0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.70 1k72 h ALA 196 CO 0.04 -0.67 -0.01 0.41 0.00 0.00 0.00 179.25 179.01 1k72 n GLY 197 N -1.61 0.56 3.41 0.00 0.00 0.21 -4.70 105.19 103.07 1k72 n GLY 197 Ca 0.10 -0.59 -0.45 0.00 0.00 0.00 0.00 46.02 45.08 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 -2.02 3.40 0.00 1.61 5.04 -0.22 -4.72 117.35 120.43 1k72 s TYR 198 Ca 0.32 -1.70 0.00 0.00 -2.44 0.00 0.00 57.07 53.24 1k72 s TYR 198 Cb 0.20 -4.14 0.00 0.00 0.35 0.00 0.00 41.96 38.38 1k72 s TYR 198 CO 0.32 -1.32 0.00 0.25 -1.34 0.00 0.00 175.55 173.47 1k72 n THR 199 N 4.84 0.00 0.31 4.34 -2.24 -1.26 -4.79 114.28 115.48 1k72 n THR 199 Ca 0.23 0.00 0.20 0.00 -2.27 0.00 0.00 64.05 62.21 1k72 n THR 199 Cb 0.47 0.35 0.98 0.00 -2.10 0.00 0.00 70.33 70.04 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 -0.47 6.98 0.00 -2.00 -2.31 119.26 122.46 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 0.04 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.83 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 -2.08 2.50 -1.66 0.00 0.00 -1.26 -4.72 120.51 113.29 1k72 n ALA 201 Ca -0.01 -0.87 -0.47 0.00 0.00 0.00 0.00 53.44 52.09 1k72 n ALA 201 Cb 0.17 -0.97 -0.04 0.00 0.00 0.00 0.00 19.45 18.61 1k72 n ALA 201 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.50 176.37 1k72 n SER 202 N 0.87 2.79 0.00 0.00 3.41 -0.87 -0.22 113.62 119.59 1k72 n SER 202 Ca 0.16 1.10 0.00 0.00 -0.26 0.00 0.00 58.87 59.87 1k72 n SER 202 Cb 0.44 -1.39 0.00 0.00 -0.26 0.00 0.00 64.21 63.00 1k72 n SER 202 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1k72 n GLY 203 N 3.07 2.48 1.12 5.00 0.00 -1.26 -4.80 105.19 110.81 1k72 n GLY 203 Ca 0.16 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.18 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 -2.00 -0.16 -2.66 1.61 4.02 0.22 -4.92 117.16 113.26 1k72 n TYR 204 Ca 0.00 0.03 -0.08 0.00 -0.01 0.00 0.00 57.90 57.83 1k72 n TYR 204 Cb 0.00 0.05 0.03 0.00 -0.02 0.00 0.00 39.34 39.41 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 -3.31 1.52 -1.77 -0.72 4.01 0.69 -5.08 117.16 112.49 1k72 n TYR 205 Ca 0.00 -2.53 -0.39 0.00 -0.16 0.00 0.00 57.90 54.82 1k72 n TYR 205 Cb 0.15 -0.29 0.04 0.00 -0.31 0.00 0.00 39.34 38.93 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 -3.46 5.28 -0.13 7.72 0.01 -1.21 -4.87 113.70 117.04 1k72 s SER 206 Ca 0.31 2.79 -0.15 0.00 1.31 0.00 0.00 55.95 60.21 1k72 s SER 206 Cb 0.40 -2.64 -0.05 0.00 0.21 0.00 0.00 66.02 63.94 1k72 s SER 206 CO -0.01 -1.57 0.35 -0.55 0.41 0.00 0.00 173.24 171.87 1k72 s SER 207 N -0.91 6.54 0.00 2.44 0.15 -1.26 -4.97 113.70 115.69 1k72 s SER 207 Ca 0.71 0.63 0.18 0.00 0.70 0.00 0.00 55.95 58.18 1k72 s SER 207 Cb -0.41 -2.21 0.31 0.00 -1.71 0.00 0.00 66.02 61.99 1k72 s SER 207 CO 0.49 0.11 1.24 -1.54 1.20 0.00 0.00 173.24 174.74 1k72 n SER 208 N 3.35 2.99 -3.59 5.45 3.41 -1.26 -4.99 113.62 118.98 1k72 n SER 208 Ca -0.11 -1.87 -0.10 0.00 -0.26 0.00 0.00 58.87 56.52 1k72 n SER 208 Cb 0.52 -0.17 -0.06 0.00 -0.26 0.00 0.00 64.21 64.25 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 -1.32 -0.38 0.00 4.04 1.04 -1.26 -5.06 113.70 110.76 1k72 s SER 209 Ca 0.29 0.49 0.00 0.00 0.48 0.00 0.00 55.95 57.22 1k72 s SER 209 Cb 0.18 0.41 0.00 0.00 0.10 0.00 0.00 66.02 66.71 1k72 s SER 209 CO 0.25 -0.30 0.00 2.22 0.98 0.00 0.00 173.24 176.38 1k72 n PHE 210 N 1.03 0.00 0.18 5.02 1.16 -1.26 -4.73 117.46 118.87 1k72 n PHE 210 Ca -0.11 0.00 0.03 0.00 -1.87 0.00 0.00 57.45 55.51 1k72 n PHE 210 Cb 0.57 0.00 0.34 0.00 -1.61 0.00 0.00 39.48 38.79 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 0.00 -0.35 2.97 -1.99 -1.94 -0.77 116.97 114.90 1k72 h TYR 211 Ca 0.00 0.00 -0.06 0.00 2.00 0.00 0.00 58.73 60.67 1k72 h TYR 211 Cb 0.00 0.00 -0.01 0.00 2.00 0.00 0.00 36.73 38.72 1k72 h TYR 211 CO 0.00 0.41 -0.03 0.38 -0.00 0.00 0.00 178.16 178.92 1k72 h ASP 212 N 0.00 0.63 -0.53 3.88 2.03 -1.91 -1.89 116.42 118.63 1k72 h ASP 212 Ca -0.00 -0.33 -0.06 0.00 -0.73 0.00 0.00 57.03 55.91 1k72 h ASP 212 Cb 0.79 -0.17 -0.03 0.00 -0.83 0.00 0.00 39.33 39.09 1k72 h ASP 212 CO 0.05 0.81 0.12 0.44 -1.03 0.00 0.00 179.24 179.63 1k72 h ASP 213 N 0.44 0.86 -0.39 4.15 3.32 -1.72 -1.18 116.42 121.90 1k72 h ASP 213 Ca 0.09 -0.17 -0.01 0.00 0.02 0.00 0.00 57.03 56.96 1k72 h ASP 213 Cb 0.50 -0.23 -0.02 0.00 0.22 0.00 0.00 39.33 39.81 1k72 h ASP 213 CO 0.02 0.85 0.19 -0.07 -1.72 0.00 0.00 179.24 178.51 1k72 h LEU 214 N 0.87 0.51 -0.21 1.55 3.38 -1.01 0.09 115.31 120.49 1k72 h LEU 214 Ca 0.18 -0.13 -0.01 0.00 0.09 0.00 0.00 57.88 58.02 1k72 h LEU 214 Cb 0.35 -0.13 -0.01 0.00 0.09 0.00 0.00 40.66 40.96 1k72 h LEU 214 CO 0.00 0.49 0.10 0.28 0.09 0.00 0.00 178.44 179.41 1k72 h SER 215 N 0.49 0.27 -0.47 -0.43 0.02 -1.00 -0.40 113.55 112.03 1k72 h SER 215 Ca 0.13 -0.11 -0.01 0.00 -0.84 0.00 0.00 61.79 60.97 1k72 h SER 215 Cb 0.12 -0.07 -0.02 0.00 0.14 0.00 0.00 62.40 62.57 1k72 h SER 215 CO -0.02 0.30 0.27 -0.25 -1.14 0.00 0.00 176.83 176.00 1k72 h TRP 216 N 0.21 0.63 -0.44 3.45 2.91 -1.13 -0.36 115.95 121.23 1k72 h TRP 216 Ca 0.07 -0.01 -0.09 0.00 1.13 0.00 0.00 58.89 60.00 1k72 h TRP 216 Cb 0.10 -0.20 -0.01 0.00 -0.51 0.00 0.00 29.16 28.53 1k72 h TRP 216 CO -0.03 0.46 -0.07 0.00 -1.03 0.00 0.00 178.44 177.77 1k72 h ALA 217 N 1.12 0.60 -0.62 2.65 0.00 -0.88 -2.29 119.26 119.84 1k72 h ALA 217 Ca 0.17 -0.31 -0.05 0.00 0.00 0.00 0.00 54.91 54.72 1k72 h ALA 217 Cb 0.02 -0.16 -0.03 0.00 0.00 0.00 0.00 17.79 17.62 1k72 h ALA 217 CO -0.03 0.45 0.20 0.00 0.00 0.00 0.00 179.25 179.88 1k72 h ALA 218 N 0.87 1.19 -0.21 0.00 0.00 -0.76 0.19 119.26 120.54 1k72 h ALA 218 Ca 0.11 -0.19 -0.01 0.00 0.00 0.00 0.00 54.91 54.82 1k72 h ALA 218 Cb 0.60 -0.25 -0.01 0.00 0.00 0.00 0.00 17.79 18.13 1k72 h ALA 218 CO 0.04 0.57 0.09 0.28 0.00 0.00 0.00 179.25 180.22 1k72 h VAL 219 N 0.90 1.16 -0.28 0.00 2.07 -0.87 0.21 116.25 119.45 1k72 h VAL 219 Ca 0.20 -0.47 -0.11 0.00 0.82 0.00 0.00 66.70 67.15 1k72 h VAL 219 Cb 0.25 1.08 -0.01 0.00 -1.52 0.00 0.00 31.29 31.09 1k72 h VAL 219 CO -0.01 0.15 -0.27 -0.50 0.02 0.00 0.00 177.57 176.96 1k72 h TRP 220 N 0.19 0.62 -0.20 1.57 4.06 -0.98 -0.67 115.95 120.55 1k72 h TRP 220 Ca 0.07 -0.14 -0.11 0.00 2.06 0.00 0.00 58.89 60.77 1k72 h TRP 220 Cb 0.16 -0.15 -0.01 0.00 -1.00 0.00 0.00 29.16 28.16 1k72 h TRP 220 CO -0.01 0.77 -0.35 -0.07 -3.56 0.00 0.00 178.44 175.21 1k72 h LEU 221 N 0.48 0.43 -0.32 -4.49 3.38 -0.43 0.30 115.31 114.66 1k72 h LEU 221 Ca 0.06 -0.17 -0.03 0.00 0.09 0.00 0.00 57.88 57.84 1k72 h LEU 221 Cb 0.72 -0.12 -0.01 0.00 0.09 0.00 0.00 40.66 41.34 1k72 h LEU 221 CO 0.06 0.75 0.08 0.22 0.09 0.00 0.00 178.44 179.64 1k72 h TYR 222 N 0.35 0.52 -0.14 1.13 3.20 -0.40 0.11 116.97 121.75 1k72 h TYR 222 Ca 0.04 -0.06 -0.06 0.00 3.14 0.00 0.00 58.73 61.79 1k72 h TYR 222 Cb 0.79 -0.15 -0.01 0.00 1.54 0.00 0.00 36.73 38.90 1k72 h TYR 222 CO 0.02 0.54 -0.19 -0.07 -1.64 0.00 0.00 178.16 176.83 1k72 h LEU 223 N 0.35 0.22 -0.02 2.82 3.38 -0.82 0.25 115.31 121.50 1k72 h LEU 223 Ca 0.10 -0.05 -0.24 0.00 0.09 0.00 0.00 57.88 57.78 1k72 h LEU 223 Cb 0.28 -0.06 -0.01 0.00 0.09 0.00 0.00 40.66 40.96 1k72 h LEU 223 CO -0.00 0.43 -1.08 0.00 0.09 0.00 0.00 178.44 177.88 1k72 h ALA 224 N 1.59 0.27 0.00 1.53 0.00 -0.66 -3.39 119.26 118.61 1k72 h ALA 224 Ca 0.04 -0.84 -0.01 0.00 0.00 0.00 0.00 54.91 54.10 1k72 h ALA 224 Cb 0.46 -0.05 -0.00 0.00 0.00 0.00 0.00 17.79 18.21 1k72 h ALA 224 CO 0.03 1.00 -1.42 0.25 0.00 0.00 0.00 179.25 179.12 1k72 n THR 225 N -3.54 0.03 -1.31 0.00 -2.24 0.00 -4.91 114.28 102.31 1k72 n THR 225 Ca -0.05 -0.21 -0.11 0.00 -2.27 0.00 0.00 64.05 61.41 1k72 n THR 225 Cb 0.94 0.24 -0.05 0.00 -2.10 0.00 0.00 70.33 69.36 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 -1.84 -4.78 -4.53 3.42 3.02 0.88 -4.96 115.26 106.47 1k72 n ASN 226 Ca -0.02 0.26 -0.43 0.00 -0.03 0.00 0.00 54.58 54.36 1k72 n ASN 226 Cb 0.26 -3.21 -0.06 0.00 -0.61 0.00 0.00 39.78 36.16 1k72 n ASN 226 CO 0.00 0.00 0.00 -0.62 -2.62 0.00 0.00 177.26 174.02 1k72 s ASP 227 N -2.64 6.38 0.16 6.41 -1.08 -1.26 -4.93 116.67 119.72 1k72 s ASP 227 Ca 0.00 -0.18 0.11 0.00 -0.52 0.00 0.00 52.55 51.96 1k72 s ASP 227 Cb 0.00 -2.36 0.59 0.00 -1.46 0.00 0.00 42.92 39.69 1k72 s ASP 227 CO 0.00 -0.85 1.33 -1.54 0.52 0.00 0.00 175.17 174.62 1k72 n SER 228 N 6.52 0.28 -0.36 -0.34 3.41 -1.26 -1.64 113.62 120.24 1k72 n SER 228 Ca 0.01 0.63 0.06 0.00 -0.26 0.00 0.00 58.87 59.30 1k72 n SER 228 Cb 0.48 -0.66 0.21 0.00 -0.26 0.00 0.00 64.21 63.98 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 0.96 -0.18 6.66 2.02 -2.00 -0.92 112.91 119.44 1k72 h THR 229 Ca 0.00 -0.35 -0.17 0.00 0.77 0.00 0.00 66.41 66.66 1k72 h THR 229 Cb 0.01 -0.14 -0.00 0.00 -1.74 0.00 0.00 68.15 66.27 1k72 h THR 229 CO 0.00 0.18 -0.58 1.88 0.37 0.00 0.00 175.52 177.37 1k72 h TYR 230 N 1.01 0.76 -0.53 3.16 0.05 -1.62 -2.29 116.97 117.51 1k72 h TYR 230 Ca 0.47 -0.28 -0.08 0.00 0.05 0.00 0.00 58.73 58.89 1k72 h TYR 230 Cb 0.40 -0.14 -0.02 0.00 1.01 0.00 0.00 36.73 37.98 1k72 h TYR 230 CO -0.01 1.03 0.01 1.25 -1.05 0.00 0.00 178.16 179.40 1k72 h LEU 231 N 0.45 0.91 -0.87 3.88 5.85 -1.45 0.05 115.31 124.12 1k72 h LEU 231 Ca 0.00 -0.30 -0.03 0.00 0.84 0.00 0.00 57.88 58.39 1k72 h LEU 231 Cb 1.15 -0.24 -0.04 0.00 0.37 0.00 0.00 40.66 41.89 1k72 h LEU 231 CO 0.11 0.99 0.42 0.44 -0.34 0.00 0.00 178.44 180.06 1k72 h ASP 232 N 0.81 1.12 -0.46 1.25 3.32 -1.12 -2.15 116.42 119.18 1k72 h ASP 232 Ca 0.15 -0.13 -0.07 0.00 0.02 0.00 0.00 57.03 57.00 1k72 h ASP 232 Cb 0.51 -0.29 -0.02 0.00 0.22 0.00 0.00 39.33 39.76 1k72 h ASP 232 CO 0.03 0.94 0.02 0.11 -1.72 0.00 0.00 179.24 178.61 1k72 h LYS 233 N 1.22 0.80 -0.48 3.56 1.57 -1.08 -1.89 116.57 120.27 1k72 h LYS 233 Ca 0.30 -0.24 0.09 0.00 -1.87 0.00 0.00 60.65 58.92 1k72 h LYS 233 Cb 0.11 -0.08 -0.07 0.00 0.08 0.00 0.00 32.23 32.27 1k72 h LYS 233 CO -0.04 0.84 0.05 0.00 -0.57 0.00 0.00 179.45 179.74 1k72 h ALA 234 N 0.92 0.50 0.00 3.86 0.00 -0.59 -1.52 119.26 122.44 1k72 h ALA 234 Ca 0.13 0.12 -0.11 0.00 0.00 0.00 0.00 54.91 55.05 1k72 h ALA 234 Cb 0.47 0.18 -0.02 0.00 0.00 0.00 0.00 17.79 18.43 1k72 h ALA 234 CO 0.02 -0.35 -0.54 0.93 0.00 0.00 0.00 179.25 179.31 1k72 h GLU 235 N 0.18 0.00 0.00 0.00 5.08 -1.31 -3.23 114.58 115.30 1k72 h GLU 235 Ca 0.24 0.00 -0.04 0.00 -1.00 0.00 0.00 59.36 58.57 1k72 h GLU 235 Cb 0.34 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.59 1k72 h GLU 235 CO -0.36 0.54 -0.17 0.66 -1.00 0.00 0.00 179.01 178.68 1k72 h SER 236 N 0.00 0.00 1.63 1.42 4.64 -0.43 -2.86 113.55 117.95 1k72 h SER 236 Ca -0.01 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.31 1k72 h SER 236 Cb 1.03 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.12 1k72 h SER 236 CO 0.07 0.17 -0.15 1.88 -0.87 0.00 0.00 176.83 177.94 1k72 h TYR 237 N 0.00 0.00 -0.75 4.77 0.05 -1.53 -3.38 116.97 116.13 1k72 h TYR 237 Ca -0.00 0.00 0.16 0.00 0.05 0.00 0.00 58.73 58.94 1k72 h TYR 237 Cb 0.40 0.00 -0.11 0.00 1.01 0.00 0.00 36.73 38.03 1k72 h TYR 237 CO 0.00 0.00 0.19 0.28 -1.05 0.00 0.00 178.16 177.58 1k72 h VAL 238 N 0.00 0.50 0.00 -2.88 2.07 -1.64 0.64 116.25 114.94 1k72 h VAL 238 Ca 0.00 -0.09 -0.00 0.00 0.82 0.00 0.00 66.70 67.42 1k72 h VAL 238 Cb 0.89 0.21 -0.00 0.00 -1.52 0.00 0.00 31.29 30.86 1k72 h VAL 238 CO 0.00 0.05 -0.01 -0.65 0.02 0.00 0.00 177.57 176.98 1k72 h PRO 239 N 0.27 0.00 -0.00 1.57 0.11 -1.80 -1.94 132.00 130.21 1k72 h PRO 239 Ca 0.43 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.54 1k72 h PRO 239 Cb 0.74 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.85 1k72 h PRO 239 CO -0.52 0.01 -0.40 0.09 -0.21 0.00 0.00 178.00 176.98 1k72 n ASN 240 N -3.22 0.44 -4.76 -2.05 3.02 0.20 -4.90 115.26 103.99 1k72 n ASN 240 Ca -0.02 -0.15 -0.36 0.00 -0.03 0.00 0.00 54.58 54.01 1k72 n ASN 240 Cb 0.13 0.11 0.02 0.00 -0.61 0.00 0.00 39.78 39.43 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 -2.97 2.49 0.47 3.10 0.51 -0.73 -4.89 118.94 116.93 1k72 s TRP 241 Ca 0.12 1.51 -0.24 0.00 -2.12 0.00 0.00 56.10 55.37 1k72 s TRP 241 Cb 0.18 -3.46 -0.07 0.00 -0.81 0.00 0.00 33.47 29.30 1k72 s TRP 241 CO 0.66 -2.07 1.37 0.20 -0.51 0.00 0.00 176.95 176.60 1k72 s GLY 242 N -1.54 2.90 0.40 0.98 0.00 -1.26 -4.90 107.32 103.91 1k72 s GLY 242 Ca 0.74 1.35 0.00 0.00 0.00 0.00 0.00 44.72 46.82 1k72 s GLY 242 CO 0.33 1.92 0.62 0.54 0.00 0.00 0.00 173.10 176.51 1k72 s LYS 243 N -2.57 3.30 0.20 2.90 -0.14 -1.26 -1.95 119.74 120.23 1k72 s LYS 243 Ca 0.64 -0.37 -0.30 0.00 -1.36 0.00 0.00 55.97 54.57 1k72 s LYS 243 Cb -0.41 -2.60 -0.09 0.00 -1.68 0.00 0.00 37.83 33.06 1k72 s LYS 243 CO 0.51 -0.06 1.24 -2.00 -0.76 0.00 0.00 175.35 174.29 1k72 s GLU 244 N -4.45 4.45 0.09 1.68 2.56 0.67 -4.49 118.70 119.22 1k72 s GLU 244 Ca 0.44 1.96 -0.36 0.00 0.00 0.00 0.00 54.97 57.02 1k72 s GLU 244 Cb -0.10 -3.21 -0.15 0.00 2.00 0.00 0.00 34.13 32.67 1k72 s GLU 244 CO 0.37 -0.14 1.47 0.00 -0.56 0.00 0.00 175.26 176.40 1k72 n GLN 245 N 2.37 1.56 -0.79 4.30 10.64 -1.26 -1.56 117.38 132.65 1k72 n GLN 245 Ca 0.04 0.57 0.00 0.00 -1.83 0.00 0.00 57.00 55.78 1k72 n GLN 245 Cb 0.44 -2.27 0.00 0.00 -0.86 0.00 0.00 30.24 27.55 1k72 n GLN 245 CO 0.00 0.00 0.00 1.04 -1.83 0.00 0.00 177.06 176.27 1k72 n GLN 246 N 3.17 0.00 -4.13 2.61 3.00 -1.26 -5.03 117.38 115.74 1k72 n GLN 246 Ca 0.18 0.08 -0.15 0.00 -0.01 0.00 0.00 57.00 57.11 1k72 n GLN 246 Cb 0.23 -2.52 -0.06 0.00 0.00 0.00 0.00 30.24 27.89 1k72 n GLN 246 CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 177.06 178.01 1k72 s THR 247 N -2.00 0.00 -0.27 5.09 -4.23 -0.60 -5.03 115.64 108.60 1k72 s THR 247 Ca 0.00 -1.70 0.09 0.00 -1.18 0.00 0.00 61.69 58.90 1k72 s THR 247 Cb 0.00 -2.54 0.47 0.00 1.34 0.00 0.00 72.50 71.76 1k72 s THR 247 CO 0.00 0.00 1.36 -0.67 -0.54 0.00 0.00 174.62 174.77 1k72 n ASP 248 N -1.16 2.49 -4.65 3.99 2.03 -1.26 -4.50 116.55 113.48 1k72 n ASP 248 Ca 0.02 -3.84 -0.33 0.00 0.52 0.00 0.00 54.79 51.16 1k72 n ASP 248 Cb 0.62 -0.58 -0.10 0.00 -0.72 0.00 0.00 41.12 40.35 1k72 n ASP 248 CO 0.00 0.00 0.00 -0.63 -1.92 0.00 0.00 177.20 174.65 1k72 s ILE 249 N -3.41 4.03 0.22 5.18 1.01 -1.26 -4.99 121.20 121.98 1k72 s ILE 249 Ca 0.43 -0.55 -0.32 0.00 0.00 0.00 0.00 60.65 60.21 1k72 s ILE 249 Cb 0.40 -2.75 -0.13 0.00 0.01 0.00 0.00 42.46 39.99 1k72 s ILE 249 CO -0.03 0.45 1.49 -0.38 0.00 0.00 0.00 174.94 176.48 1k72 n ILE 250 N 1.68 0.66 -1.56 2.92 5.41 -1.26 -0.24 119.36 126.97 1k72 n ILE 250 Ca -0.16 -0.16 -0.47 0.00 1.00 0.00 0.00 62.75 62.96 1k72 n ILE 250 Cb 0.53 -1.57 -0.03 0.00 -0.71 0.00 0.00 39.64 37.86 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 2.43 -0.77 -1.00 -1.39 0.00 -0.82 -4.42 120.51 114.54 1k72 n ALA 251 Ca 0.13 0.43 0.00 0.00 0.00 0.00 0.00 53.44 53.99 1k72 n ALA 251 Cb 0.31 -1.97 0.00 0.00 0.00 0.00 0.00 19.45 17.79 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 0.71 0.00 0.68 0.00 4.11 -1.26 -4.90 117.16 116.49 1k72 n TYR 252 Ca 0.13 0.00 0.08 0.00 -0.00 0.00 0.00 57.90 58.11 1k72 n TYR 252 Cb 0.28 0.01 0.24 0.00 -0.00 0.00 0.00 39.34 39.87 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 2.02 0.00 -3.48 5.02 -1.26 -4.32 118.16 116.14 1k72 n LYS 253 Ca 0.00 -1.58 0.00 0.00 -2.02 0.00 0.00 58.31 54.71 1k72 n LYS 253 Cb 0.22 -1.38 0.00 0.00 -0.02 0.00 0.00 35.03 33.85 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 0.78 0.00 -3.80 2.13 -0.00 -1.26 -5.03 117.44 110.26 1k72 n TRP 254 Ca 0.16 0.00 -0.09 0.00 -0.00 0.00 0.00 57.50 57.57 1k72 n TRP 254 Cb 0.39 0.00 -0.04 0.00 -0.00 0.00 0.00 31.31 31.66 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 0.01 0.39 5.87 0.00 -1.26 -5.04 107.32 107.29 1k72 s GLY 255 Ca 0.00 -0.34 -0.27 0.00 0.00 0.00 0.00 44.72 44.11 1k72 s GLY 255 CO 0.00 -0.30 1.30 -0.18 0.00 0.00 0.00 173.10 173.92 1k72 n GLN 256 N -0.36 2.07 0.14 2.90 -0.06 -1.26 -4.82 117.38 115.98 1k72 n GLN 256 Ca -0.08 0.73 0.01 0.00 -2.00 0.00 0.00 57.00 55.66 1k72 n GLN 256 Cb 0.62 -2.39 0.11 0.00 -4.06 0.00 0.00 30.24 24.51 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 2.32 0.00 0.00 3.69 5.08 -1.95 -3.46 115.95 121.63 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 0.60 -1.05 -3.47 -1.28 0.00 0.00 178.44 173.73 1k72 n ASP 259 N -3.42 0.62 -3.50 0.11 4.64 -1.26 -4.80 116.55 108.94 1k72 n ASP 259 Ca 0.00 -0.30 -0.23 0.00 -1.38 0.00 0.00 54.79 52.88 1k72 n ASP 259 Cb 0.70 0.86 -0.13 0.00 -1.04 0.00 0.00 41.12 41.51 1k72 n ASP 259 CO 0.00 0.00 0.00 -0.62 -0.82 0.00 0.00 177.20 175.76 1k72 s ASP 260 N -3.79 2.33 -0.10 1.67 -1.08 -1.26 -4.49 116.67 109.94 1k72 s ASP 260 Ca 0.04 -0.78 0.14 0.00 -0.52 0.00 0.00 52.55 51.43 1k72 s ASP 260 Cb 0.15 0.07 0.43 0.00 -1.46 0.00 0.00 42.92 42.11 1k72 s ASP 260 CO 0.81 -0.38 1.34 1.33 0.52 0.00 0.00 175.17 178.79 1k72 n VAL 261 N 5.29 1.75 0.27 1.11 0.24 -1.26 -4.36 118.33 121.37 1k72 n VAL 261 Ca -0.05 -1.52 0.15 0.00 -2.04 0.00 0.00 64.34 60.88 1k72 n VAL 261 Cb 0.46 0.06 0.68 0.00 -1.47 0.00 0.00 33.84 33.57 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 1.83 0.00 -0.04 6.34 2.07 -1.95 -1.72 115.15 121.68 1k72 h HIS 262 Ca 0.00 0.00 -0.01 0.00 -2.85 0.00 0.00 60.37 57.51 1k72 h HIS 262 Cb 1.14 0.00 -0.00 0.00 2.57 0.00 0.00 27.41 31.12 1k72 h HIS 262 CO 0.38 0.07 0.00 1.88 -3.07 0.00 0.00 177.93 177.19 1k72 h TYR 263 N 0.00 0.09 -0.40 6.12 -1.99 -1.93 0.19 116.97 119.05 1k72 h TYR 263 Ca -0.00 -0.01 -0.13 0.00 2.00 0.00 0.00 58.73 60.58 1k72 h TYR 263 Cb 0.51 -0.02 -0.01 0.00 2.00 0.00 0.00 36.73 39.20 1k72 h TYR 263 CO 0.00 0.36 -0.28 0.78 -0.00 0.00 0.00 178.16 179.03 1k72 h GLY 264 N -0.21 0.93 1.01 3.88 0.00 -1.84 -2.18 103.07 104.66 1k72 h GLY 264 Ca 0.01 -0.85 -0.02 0.00 0.00 0.00 0.00 47.33 46.47 1k72 h GLY 264 CO 0.00 0.78 0.37 0.00 0.00 0.00 0.00 176.54 177.69 1k72 h ALA 265 N 0.95 0.92 -0.06 3.60 0.00 -1.20 -1.36 119.26 122.10 1k72 h ALA 265 Ca 0.09 -0.13 -0.17 0.00 0.00 0.00 0.00 54.91 54.70 1k72 h ALA 265 Cb 0.83 -0.28 -0.01 0.00 0.00 0.00 0.00 17.79 18.32 1k72 h ALA 265 CO 0.07 0.45 -0.72 1.05 0.00 0.00 0.00 179.25 180.11 1k72 h GLU 266 N 0.99 0.29 0.10 0.00 4.11 -0.88 0.12 114.58 119.31 1k72 h GLU 266 Ca 0.25 -0.24 -0.00 0.00 0.07 0.00 0.00 59.36 59.43 1k72 h GLU 266 Cb 0.08 0.05 0.00 0.00 0.50 0.00 0.00 28.75 29.38 1k72 h GLU 266 CO -0.04 0.89 -0.05 1.25 0.07 0.00 0.00 179.01 181.13 1k72 h LEU 267 N 0.20 -0.12 -0.89 3.06 6.46 -1.19 -0.73 115.31 122.10 1k72 h LEU 267 Ca -0.02 -0.07 -0.04 0.00 -0.12 0.00 0.00 57.88 57.63 1k72 h LEU 267 Cb 1.28 0.03 -0.04 0.00 -0.73 0.00 0.00 40.66 41.20 1k72 h LEU 267 CO 0.12 -0.01 0.36 -0.07 -0.62 0.00 0.00 178.44 178.22 1k72 h LEU 268 N -0.22 1.06 -1.18 2.25 3.38 -1.00 -1.90 115.31 117.70 1k72 h LEU 268 Ca -0.01 -0.14 -0.07 0.00 0.09 0.00 0.00 57.88 57.75 1k72 h LEU 268 Cb 0.18 -0.27 -0.01 0.00 0.09 0.00 0.00 40.66 40.64 1k72 h LEU 268 CO 0.02 0.91 -0.22 -0.07 0.09 0.00 0.00 178.44 179.18 1k72 h LEU 269 N 1.15 0.30 -0.26 1.67 3.38 -0.62 0.20 115.31 121.13 1k72 h LEU 269 Ca 0.27 -0.08 -0.02 0.00 0.09 0.00 0.00 57.88 58.14 1k72 h LEU 269 Cb 0.15 -0.08 -0.01 0.00 0.09 0.00 0.00 40.66 40.81 1k72 h LEU 269 CO -0.03 0.53 0.11 0.00 0.09 0.00 0.00 178.44 179.13 1k72 h ALA 270 N 1.50 0.34 -0.43 1.53 0.00 -0.39 0.61 119.26 122.43 1k72 h ALA 270 Ca 0.05 -0.12 -0.09 0.00 0.00 0.00 0.00 54.91 54.74 1k72 h ALA 270 Cb 0.54 -0.10 -0.02 0.00 0.00 0.00 0.00 17.79 18.21 1k72 h ALA 270 CO 0.04 -0.06 -0.12 0.87 0.00 0.00 0.00 179.25 179.98 1k72 h LYS 271 N 0.28 0.77 0.02 0.00 1.57 -0.86 0.22 116.57 118.56 1k72 h LYS 271 Ca 0.09 -0.26 -0.20 0.00 -1.87 0.00 0.00 60.65 58.41 1k72 h LYS 271 Cb 0.18 -0.06 -0.02 0.00 0.08 0.00 0.00 32.23 32.41 1k72 h LYS 271 CO -0.01 0.86 -0.92 -0.07 -0.57 0.00 0.00 179.45 178.74 1k72 h LEU 272 N 0.70 0.17 0.00 2.94 3.38 -0.76 -3.39 115.31 118.35 1k72 h LEU 272 Ca 0.12 -0.15 0.00 0.00 0.09 0.00 0.00 57.88 57.94 1k72 h LEU 272 Cb 0.60 -0.05 0.00 0.00 0.09 0.00 0.00 40.66 41.30 1k72 h LEU 272 CO 0.04 1.00 -1.08 0.35 0.09 0.00 0.00 178.44 178.84 1k72 n THR 273 N -3.57 0.00 -1.49 0.22 -2.24 0.19 -5.00 114.28 102.39 1k72 n THR 273 Ca -0.03 -0.13 -0.17 0.00 -2.27 0.00 0.00 64.05 61.46 1k72 n THR 273 Cb 0.85 0.47 -0.07 0.00 -2.10 0.00 0.00 70.33 69.47 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 -1.58 -5.41 -4.74 3.42 5.15 0.76 -4.95 115.26 107.91 1k72 n ASN 274 Ca -0.01 0.42 -0.41 0.00 -0.60 0.00 0.00 54.58 53.98 1k72 n ASN 274 Cb 0.10 -4.39 -0.03 0.00 -0.53 0.00 0.00 39.78 34.93 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 -3.41 4.47 0.40 1.20 1.02 -1.26 -4.92 119.74 117.24 1k72 s LYS 275 Ca 0.00 1.96 0.08 0.00 0.02 0.00 0.00 55.97 58.02 1k72 s LYS 275 Cb 0.00 -3.20 0.84 0.00 -0.52 0.00 0.00 37.83 34.95 1k72 s LYS 275 CO 0.00 -0.10 2.02 0.37 -0.92 0.00 0.00 175.35 176.72 1k72 h GLN 276 N 4.84 0.58 -0.51 1.68 5.75 -1.97 -2.67 115.11 122.81 1k72 h GLN 276 Ca -0.45 -0.04 0.09 0.00 -0.15 0.00 0.00 58.65 58.10 1k72 h GLN 276 Cb 1.22 -0.13 -0.07 0.00 1.07 0.00 0.00 27.48 29.56 1k72 h GLN 276 CO 0.73 0.39 0.11 1.25 -2.65 0.00 0.00 178.83 178.66 1k72 h LEU 277 N 0.60 0.03 -0.29 -2.39 5.85 -1.99 0.16 115.31 117.28 1k72 h LEU 277 Ca 0.22 0.09 -0.19 0.00 0.84 0.00 0.00 57.88 58.83 1k72 h LEU 277 Cb 0.11 0.12 0.00 0.00 0.37 0.00 0.00 40.66 41.26 1k72 h LEU 277 CO -0.06 0.04 -0.59 1.88 -0.34 0.00 0.00 178.44 179.38 1k72 h TYR 278 N 0.26 1.09 -0.43 1.25 0.05 -1.80 -2.00 116.97 115.38 1k72 h TYR 278 Ca 0.26 -0.40 -0.01 0.00 0.05 0.00 0.00 58.73 58.62 1k72 h TYR 278 Cb 0.34 -0.20 -0.02 0.00 1.01 0.00 0.00 36.73 37.86 1k72 h TYR 278 CO -0.22 1.23 0.21 0.87 -1.05 0.00 0.00 178.16 179.20 1k72 h LYS 279 N 0.64 0.61 -0.77 4.88 1.57 -1.17 -1.71 116.57 120.63 1k72 h LYS 279 Ca 0.00 -0.09 -0.05 0.00 -1.87 0.00 0.00 60.65 58.65 1k72 h LYS 279 Cb 1.20 -0.11 -0.03 0.00 0.08 0.00 0.00 32.23 33.36 1k72 h LYS 279 CO 0.13 0.52 0.28 -0.44 -0.57 0.00 0.00 179.45 179.37 1k72 h ASP 280 N 0.55 1.08 -0.22 0.86 3.32 -0.70 -1.78 116.42 119.55 1k72 h ASP 280 Ca 0.15 -0.18 -0.04 0.00 0.02 0.00 0.00 57.03 56.97 1k72 h ASP 280 Cb 0.10 -0.28 -0.01 0.00 0.22 0.00 0.00 39.33 39.36 1k72 h ASP 280 CO -0.02 0.98 -0.03 0.28 -1.72 0.00 0.00 179.24 178.73 1k72 h SER 281 N 1.13 0.40 0.09 6.45 0.02 -1.06 -0.67 113.55 119.91 1k72 h SER 281 Ca 0.25 -0.34 -0.16 0.00 -0.84 0.00 0.00 61.79 60.70 1k72 h SER 281 Cb 0.26 -0.11 -0.01 0.00 0.14 0.00 0.00 62.40 62.68 1k72 h SER 281 CO -0.02 0.64 -0.57 -0.29 -1.14 0.00 0.00 176.83 175.46 1k72 h ILE 282 N 0.14 1.33 0.00 3.27 6.09 -1.31 -2.37 117.51 124.67 1k72 h ILE 282 Ca 0.06 -1.84 -0.12 0.00 -1.37 0.00 0.00 64.86 61.59 1k72 h ILE 282 Cb 0.45 1.83 -0.02 0.00 0.47 0.00 0.00 36.82 39.56 1k72 h ILE 282 CO 0.02 0.57 -0.57 -0.33 -3.07 0.00 0.00 178.15 174.76 1k72 h GLU 283 N 0.38 0.00 -0.50 2.19 5.08 -1.30 -0.11 114.58 120.33 1k72 h GLU 283 Ca 0.00 0.00 -0.08 0.00 -1.00 0.00 0.00 59.36 58.29 1k72 h GLU 283 Cb 1.11 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 30.34 1k72 h GLU 283 CO 0.10 0.57 0.01 1.98 -1.00 0.00 0.00 179.01 180.68 1k72 h MET 284 N 0.00 0.87 -0.09 2.33 4.05 -0.90 0.42 114.93 121.61 1k72 h MET 284 Ca -0.01 -0.27 -0.01 0.00 -0.28 0.00 0.00 59.70 59.13 1k72 h MET 284 Cb 1.01 -0.08 -0.00 0.00 -0.80 0.00 0.00 31.60 31.73 1k72 h MET 284 CO 0.07 0.90 0.01 -0.97 0.23 0.00 0.00 176.91 177.16 1k72 h ASN 285 N 0.73 0.15 -0.37 1.39 -0.73 -1.11 -1.17 115.58 114.48 1k72 h ASN 285 Ca 0.14 -0.27 -0.08 0.00 1.87 0.00 0.00 56.30 57.96 1k72 h ASN 285 Cb 0.50 -0.04 -0.02 0.00 0.27 0.00 0.00 38.32 39.03 1k72 h ASN 285 CO 0.02 0.39 -0.04 -0.07 -0.37 0.00 0.00 177.43 177.36 1k72 h LEU 286 N -0.09 0.74 -0.52 0.34 3.38 -0.89 -2.41 115.31 115.87 1k72 h LEU 286 Ca 0.03 -0.19 -0.08 0.00 0.09 0.00 0.00 57.88 57.73 1k72 h LEU 286 Cb 0.30 -0.20 -0.02 0.00 0.09 0.00 0.00 40.66 40.83 1k72 h LEU 286 CO 0.00 0.84 0.01 0.44 0.09 0.00 0.00 178.44 179.82 1k72 h ASP 287 N 0.71 0.89 -0.94 -0.43 3.32 -0.08 -2.16 116.42 117.73 1k72 h ASP 287 Ca 0.13 -0.30 0.12 0.00 0.02 0.00 0.00 57.03 57.00 1k72 h ASP 287 Cb 0.49 -0.24 -0.07 0.00 0.22 0.00 0.00 39.33 39.73 1k72 h ASP 287 CO 0.03 0.97 0.60 0.15 -1.72 0.00 0.00 179.24 179.27 1k72 h PHE 288 N 0.78 1.01 0.00 4.55 3.04 -0.89 0.62 116.94 126.05 1k72 h PHE 288 Ca 0.15 0.03 0.00 0.00 3.98 0.00 0.00 57.97 62.13 1k72 h PHE 288 Cb 0.51 -0.32 0.00 0.00 2.56 0.00 0.00 35.95 38.70 1k72 h PHE 288 CO 0.04 0.42 0.00 0.91 -2.02 0.00 0.00 178.31 177.66 1k72 n TRP 289 N -4.57 0.65 0.00 0.41 7.02 -0.93 -1.39 117.44 118.62 1k72 n TRP 289 Ca 0.17 0.19 0.00 0.00 -1.02 0.00 0.00 57.50 56.85 1k72 n TRP 289 Cb 0.36 -0.81 0.00 0.00 -2.42 0.00 0.00 31.31 28.44 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 -2.03 0.00 0.17 -0.99 -2.24 -0.48 -4.83 114.28 103.87 1k72 n THR 290 Ca 0.06 0.00 0.06 0.00 -2.27 0.00 0.00 64.05 61.89 1k72 n THR 290 Cb 0.39 -0.26 0.15 0.00 -2.10 0.00 0.00 70.33 68.51 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 0.66 0.00 4.28 1.35 -1.72 -3.49 112.91 113.99 1k72 h THR 291 Ca 0.00 -1.77 0.00 0.00 -0.55 0.00 0.00 66.41 64.09 1k72 h THR 291 Cb 0.00 2.20 0.00 0.00 -1.73 0.00 0.00 68.15 68.62 1k72 h THR 291 CO 0.00 0.35 0.00 0.61 -0.25 0.00 0.00 175.52 176.23 1k72 n GLY 292 N 0.94 1.98 3.27 5.82 0.00 0.20 -4.99 105.19 112.41 1k72 n GLY 292 Ca 0.02 -1.93 -0.13 0.00 0.00 0.00 0.00 46.02 43.98 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 -2.73 0.01 -1.64 1.61 0.11 0.19 -4.45 120.40 113.50 1k72 s VAL 293 Ca 0.00 -0.05 -0.14 0.00 -2.93 0.00 0.00 61.98 58.87 1k72 s VAL 293 Cb 0.00 -0.54 0.12 0.00 -1.53 0.00 0.00 36.38 34.43 1k72 s VAL 293 CO 0.00 -0.03 0.65 0.59 -3.33 0.00 0.00 175.10 172.98 1k72 n ASN 294 N 2.70 -2.32 0.00 3.54 3.02 -1.26 -0.56 115.26 120.39 1k72 n ASN 294 Ca -0.14 -1.04 0.00 0.00 -0.03 0.00 0.00 54.58 53.37 1k72 n ASN 294 Cb 0.57 -2.67 0.00 0.00 -0.61 0.00 0.00 39.78 37.07 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 -1.58 0.97 3.52 7.41 0.00 -1.26 -5.02 105.19 109.22 1k72 n GLY 295 Ca -0.03 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.74 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 -3.76 2.82 -0.21 2.61 -4.23 0.28 -5.14 115.64 108.01 1k72 s THR 296 Ca 0.00 -2.01 -0.27 0.00 -1.18 0.00 0.00 61.69 58.23 1k72 s THR 296 Cb 0.00 -2.43 0.09 0.00 1.34 0.00 0.00 72.50 71.50 1k72 s THR 296 CO 0.00 -0.24 0.81 -0.60 -0.54 0.00 0.00 174.62 174.06 1k72 s ARG 297 N -3.12 0.79 0.52 3.99 3.52 -1.26 0.56 118.95 123.95 1k72 s ARG 297 Ca 0.26 0.63 -0.23 0.00 -0.13 0.00 0.00 55.73 56.27 1k72 s ARG 297 Cb -0.07 0.38 -0.06 0.00 -1.56 0.00 0.00 34.95 33.64 1k72 s ARG 297 CO 0.14 -0.16 1.34 0.54 -0.81 0.00 0.00 175.30 176.36 1k72 s VAL 298 N -0.20 2.21 0.55 7.11 0.11 -0.48 -4.94 120.40 124.75 1k72 s VAL 298 Ca -0.02 0.16 -0.20 0.00 -2.93 0.00 0.00 61.98 59.00 1k72 s VAL 298 Cb -0.03 -3.08 -0.05 0.00 -1.53 0.00 0.00 36.38 31.68 1k72 s VAL 298 CO 0.02 0.00 1.16 -0.94 -3.33 0.00 0.00 175.10 172.01 1k72 s SER 299 N -0.93 5.61 -0.02 3.54 1.04 -1.24 -4.85 113.70 116.85 1k72 s SER 299 Ca 0.69 2.26 0.07 0.00 0.48 0.00 0.00 55.95 59.44 1k72 s SER 299 Cb -0.39 -2.59 -0.02 0.00 0.10 0.00 0.00 66.02 63.12 1k72 s SER 299 CO 0.48 -1.30 -0.22 -0.31 0.98 0.00 0.00 173.24 172.87 1k72 s TYR 300 N -1.69 1.98 0.66 5.02 1.51 -1.26 0.12 117.35 123.68 1k72 s TYR 300 Ca 0.73 -0.38 -0.11 0.00 -1.01 0.00 0.00 57.07 56.30 1k72 s TYR 300 Cb -0.26 -1.27 -0.01 0.00 -0.11 0.00 0.00 41.96 40.30 1k72 s TYR 300 CO 0.30 -0.04 1.05 0.95 -1.11 0.00 0.00 175.55 176.70 1k72 s THR 301 N -0.50 4.22 0.48 -0.71 -4.23 -0.10 -4.91 115.64 109.89 1k72 s THR 301 Ca 0.08 0.72 0.21 0.00 -1.18 0.00 0.00 61.69 61.52 1k72 s THR 301 Cb -0.09 -3.67 0.38 0.00 1.34 0.00 0.00 72.50 70.47 1k72 s THR 301 CO -0.01 -0.94 1.96 -0.65 -0.54 0.00 0.00 174.62 174.44 1k72 h PRO 302 N -0.50 0.19 -0.21 3.99 0.11 -1.89 -0.74 132.00 132.95 1k72 h PRO 302 Ca -0.44 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.66 1k72 h PRO 302 Cb 1.21 -0.04 0.00 0.00 0.11 0.00 0.00 31.00 32.28 1k72 h PRO 302 CO 0.62 0.12 0.00 1.63 -0.21 0.00 0.00 178.00 180.16 1k72 n LYS 303 N -4.42 1.77 0.00 1.05 5.02 -1.26 -4.93 118.16 115.39 1k72 n LYS 303 Ca 0.12 -1.16 0.00 0.00 -2.02 0.00 0.00 58.31 55.25 1k72 n LYS 303 Cb 0.58 -1.37 0.00 0.00 -0.02 0.00 0.00 35.03 34.22 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 1.13 1.04 3.67 0.72 0.00 -0.28 -4.93 105.19 106.53 1k72 n GLY 304 Ca 0.15 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.76 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 4.17 -0.33 0.99 2.96 -1.26 -4.80 118.68 120.41 1k72 s LEU 305 Ca 0.00 1.23 -0.29 0.00 -0.22 0.00 0.00 54.13 54.85 1k72 s LEU 305 Cb 0.00 -3.31 -0.01 0.00 0.50 0.00 0.00 46.19 43.37 1k72 s LEU 305 CO 0.00 -0.45 1.56 0.00 -1.32 0.00 0.00 176.35 176.14 1k72 s ALA 306 N 2.32 3.09 -0.35 5.97 0.00 -1.26 -0.92 121.76 130.61 1k72 s ALA 306 Ca 0.40 0.14 -0.09 0.00 0.00 0.00 0.00 51.96 52.42 1k72 s ALA 306 Cb -0.16 -3.92 0.03 0.00 0.00 0.00 0.00 23.12 19.06 1k72 s ALA 306 CO 0.12 -2.28 0.15 -0.46 0.00 0.00 0.00 175.76 173.28 1k72 s TRP 307 N 5.67 3.23 -0.15 0.00 -0.00 0.12 -4.45 118.94 123.35 1k72 s TRP 307 Ca 0.68 -1.09 0.05 0.00 -0.00 0.00 0.00 56.10 55.74 1k72 s TRP 307 Cb -0.19 -2.35 -0.23 0.00 -0.00 0.00 0.00 33.47 30.70 1k72 s TRP 307 CO 0.31 -0.65 0.22 -0.11 -0.00 0.00 0.00 176.95 176.72 1k72 n LEU 308 N 4.91 1.83 -3.47 5.86 7.94 -1.26 -3.72 117.00 129.10 1k72 n LEU 308 Ca -0.13 0.13 -0.11 0.00 -1.11 0.00 0.00 56.01 54.79 1k72 n LEU 308 Cb 0.46 -0.46 -0.03 0.00 0.53 0.00 0.00 43.42 43.92 1k72 n LEU 308 CO 0.34 0.70 0.52 0.12 -1.11 0.00 0.00 177.39 177.97 1k72 s PHE 309 N -2.54 -0.48 0.17 1.96 5.36 -1.26 -5.02 117.98 116.17 1k72 s PHE 309 Ca -0.19 0.38 -0.14 0.00 -0.96 0.00 0.00 56.93 56.02 1k72 s PHE 309 Cb 0.07 0.53 0.08 0.00 -0.34 0.00 0.00 43.02 43.36 1k72 s PHE 309 CO 0.75 -0.69 1.80 0.37 -1.46 0.00 0.00 175.22 175.99 1k72 h GLN 310 N 2.13 0.53 -5.76 10.12 4.15 -1.96 -3.33 115.11 120.99 1k72 h GLN 310 Ca -0.28 -0.03 -0.59 0.00 0.77 0.00 0.00 58.65 58.52 1k72 h GLN 310 Cb 1.26 -0.12 -0.09 0.00 0.21 0.00 0.00 27.48 28.75 1k72 h GLN 310 CO 0.35 0.35 0.18 -1.58 -1.93 0.00 0.00 178.83 176.20 1k72 s TRP 311 N -6.15 3.40 -1.17 3.99 0.52 -1.26 -4.34 118.94 113.93 1k72 s TRP 311 Ca -0.13 1.03 -0.04 0.00 0.02 0.00 0.00 56.10 56.98 1k72 s TRP 311 Cb 0.12 -2.84 -0.02 0.00 -1.15 0.00 0.00 33.47 29.58 1k72 s TRP 311 CO 0.73 -0.16 0.89 0.41 0.02 0.00 0.00 176.95 178.84 1k72 n GLY 312 N 3.65 -0.67 0.33 0.98 0.00 -1.24 -4.91 105.19 103.33 1k72 n GLY 312 Ca -0.00 0.30 -0.05 0.00 0.00 0.00 0.00 46.02 46.26 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 -1.62 1.00 -0.25 1.61 4.64 -1.50 -2.09 113.55 115.35 1k72 h SER 313 Ca -0.61 -0.19 -0.14 0.00 -0.47 0.00 0.00 61.79 60.39 1k72 h SER 313 Cb 1.34 -0.26 -0.01 0.00 -0.31 0.00 0.00 62.40 63.15 1k72 h SER 313 CO 0.49 0.94 -0.34 -0.07 -0.87 0.00 0.00 176.83 176.98 1k72 h LEU 314 N 1.03 0.81 -0.25 5.97 3.38 -1.29 -2.05 115.31 122.91 1k72 h LEU 314 Ca 0.23 -0.35 0.05 0.00 0.09 0.00 0.00 57.88 57.90 1k72 h LEU 314 Cb 0.30 -0.23 -0.04 0.00 0.09 0.00 0.00 40.66 40.78 1k72 h LEU 314 CO -0.01 1.08 -0.03 -0.09 0.09 0.00 0.00 178.44 179.48 1k72 h ARG 315 N 0.65 0.04 -0.03 1.13 1.12 -1.61 0.21 114.38 115.89 1k72 h ARG 315 Ca 0.07 -0.00 -0.00 0.00 -1.11 0.00 0.00 59.98 58.93 1k72 h ARG 315 Cb 0.88 -0.01 -0.00 0.00 -0.01 0.00 0.00 29.97 30.83 1k72 h ARG 315 CO 0.08 0.02 0.01 0.45 -3.11 0.00 0.00 179.97 177.42 1k72 h HIS 316 N 0.04 0.04 -0.55 2.20 3.86 -1.21 -1.96 115.15 117.56 1k72 h HIS 316 Ca 0.12 -0.00 -0.03 0.00 -1.16 0.00 0.00 60.37 59.30 1k72 h HIS 316 Cb 0.17 -0.01 -0.02 0.00 1.06 0.00 0.00 27.41 28.60 1k72 h HIS 316 CO -0.22 0.19 0.24 0.00 0.86 0.00 0.00 177.93 178.99 1k72 h ALA 317 N 0.85 0.72 0.00 2.45 0.00 -1.21 -1.21 119.26 120.86 1k72 h ALA 317 Ca 0.01 -0.15 -0.08 0.00 0.00 0.00 0.00 54.91 54.69 1k72 h ALA 317 Cb 0.16 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 17.72 1k72 h ALA 317 CO -0.00 0.31 -0.39 1.79 0.00 0.00 0.00 179.25 180.96 1k72 h THR 318 N 0.75 0.95 -0.09 0.00 1.35 -0.98 -0.72 112.91 114.17 1k72 h THR 318 Ca 0.19 -1.54 -0.13 0.00 -0.55 0.00 0.00 66.41 64.37 1k72 h THR 318 Cb 0.17 1.92 0.01 0.00 -1.73 0.00 0.00 68.15 68.52 1k72 h THR 318 CO -0.02 0.38 -0.45 0.74 -0.25 0.00 0.00 175.52 175.93 1k72 h THR 319 N 0.00 1.38 -0.22 6.82 2.02 -1.01 -2.59 112.91 119.31 1k72 h THR 319 Ca -0.00 -1.80 -0.05 0.00 0.77 0.00 0.00 66.41 65.32 1k72 h THR 319 Cb 0.89 2.24 -0.01 0.00 -1.74 0.00 0.00 68.15 69.53 1k72 h THR 319 CO 0.05 0.53 -0.10 1.56 0.37 0.00 0.00 175.52 177.94 1k72 h GLN 320 N 0.03 0.35 -0.68 6.66 1.08 -1.06 -1.68 115.11 119.82 1k72 h GLN 320 Ca -0.03 -0.08 0.01 0.00 -1.45 0.00 0.00 58.65 57.09 1k72 h GLN 320 Cb 1.10 -0.05 -0.03 0.00 -0.05 0.00 0.00 27.48 28.45 1k72 h GLN 320 CO 0.09 0.46 0.45 0.00 -0.95 0.00 0.00 178.83 178.89 1k72 h ALA 321 N 1.57 0.86 -0.25 3.87 0.00 -1.05 -0.01 119.26 124.25 1k72 h ALA 321 Ca 0.07 -0.05 -0.00 0.00 0.00 0.00 0.00 54.91 54.93 1k72 h ALA 321 Cb 0.39 -0.27 -0.01 0.00 0.00 0.00 0.00 17.79 17.89 1k72 h ALA 321 CO 0.02 0.28 0.14 0.35 0.00 0.00 0.00 179.25 180.05 1k72 h PHE 322 N 0.92 0.33 -0.69 0.00 3.57 -0.92 -0.65 116.94 119.50 1k72 h PHE 322 Ca 0.25 -0.00 -0.06 0.00 3.53 0.00 0.00 57.97 61.69 1k72 h PHE 322 Cb -0.11 -0.11 -0.03 0.00 2.79 0.00 0.00 35.95 38.50 1k72 h PHE 322 CO -0.03 0.26 0.21 -0.07 -2.23 0.00 0.00 178.31 176.45 1k72 h LEU 323 N 0.30 1.01 -0.86 0.59 4.07 -1.10 -1.26 115.31 118.06 1k72 h LEU 323 Ca 0.09 -0.21 0.01 0.00 0.08 0.00 0.00 57.88 57.84 1k72 h LEU 323 Cb 0.04 -0.26 -0.04 0.00 1.08 0.00 0.00 40.66 41.47 1k72 h LEU 323 CO -0.02 0.95 0.56 0.00 -1.08 0.00 0.00 178.44 178.86 1k72 h ALA 324 N 1.09 1.09 -0.28 1.53 0.00 -0.77 -0.35 119.26 121.58 1k72 h ALA 324 Ca 0.22 -0.06 -0.01 0.00 0.00 0.00 0.00 54.91 55.05 1k72 h ALA 324 Cb 0.31 -0.35 -0.01 0.00 0.00 0.00 0.00 17.79 17.74 1k72 h ALA 324 CO -0.01 0.50 0.13 0.78 0.00 0.00 0.00 179.25 180.65 1k72 h GLY 325 N 1.17 0.45 0.93 0.00 0.00 -0.56 0.02 103.07 105.08 1k72 h GLY 325 Ca 0.31 -0.23 -0.01 0.00 0.00 0.00 0.00 47.33 47.40 1k72 h GLY 325 CO -0.07 0.22 -0.10 -2.08 0.00 0.00 0.00 176.54 174.52 1k72 h VAL 326 N 0.32 0.83 -0.81 4.60 2.07 -0.93 -2.89 116.25 119.43 1k72 h VAL 326 Ca 0.10 -0.14 -0.01 0.00 0.82 0.00 0.00 66.70 67.47 1k72 h VAL 326 Cb 0.15 0.92 -0.04 0.00 -1.52 0.00 0.00 31.29 30.80 1k72 h VAL 326 CO -0.01 0.03 0.48 0.22 0.02 0.00 0.00 177.57 178.31 1k72 h TYR 327 N -0.34 1.07 0.00 1.57 5.03 -1.02 -2.47 116.97 120.82 1k72 h TYR 327 Ca -0.03 -0.01 -0.00 0.00 2.58 0.00 0.00 58.73 61.27 1k72 h TYR 327 Cb 0.26 -0.35 -0.00 0.00 1.55 0.00 0.00 36.73 38.19 1k72 h TYR 327 CO -0.04 0.73 -0.02 0.00 -1.32 0.00 0.00 178.16 177.50 1k72 h ALA 328 N 1.25 1.70 0.00 1.82 0.00 -0.92 -2.06 119.26 121.06 1k72 h ALA 328 Ca 0.29 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 55.18 1k72 h ALA 328 Cb -0.03 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.76 1k72 h ALA 328 CO -0.05 0.03 -0.01 0.93 0.00 0.00 0.00 179.25 180.14 1k72 h GLU 329 N 0.00 0.00 -6.62 0.00 5.08 -1.23 -3.46 114.58 108.35 1k72 h GLU 329 Ca -0.00 0.00 -0.52 0.00 -1.00 0.00 0.00 59.36 57.84 1k72 h GLU 329 Cb 0.04 0.00 0.01 0.00 0.50 0.00 0.00 28.75 29.30 1k72 h GLU 329 CO 0.00 0.00 0.51 -0.46 -1.00 0.00 0.00 179.01 178.06 1k72 s TRP 330 N -3.19 3.53 0.57 4.33 -0.00 -0.78 -4.93 118.94 118.48 1k72 s TRP 330 Ca 0.08 1.51 0.28 0.00 -0.00 0.00 0.00 56.10 57.97 1k72 s TRP 330 Cb 0.07 -3.33 1.52 0.00 -0.00 0.00 0.00 33.47 31.73 1k72 s TRP 330 CO 0.66 -0.84 2.00 1.05 -0.00 0.00 0.00 176.95 179.82 1k72 h GLU 331 N 5.47 0.00 0.00 5.86 4.11 -1.88 -1.74 114.58 126.40 1k72 h GLU 331 Ca -0.44 0.00 0.00 0.00 0.07 0.00 0.00 59.36 58.99 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 0.74 0.00 0.00 0.41 0.07 0.00 0.00 179.01 180.23 1k72 n GLY 332 N -1.50 -1.45 3.77 1.06 0.00 -1.26 -4.87 105.19 100.94 1k72 n GLY 332 Ca 0.06 -0.10 -0.41 0.00 0.00 0.00 0.00 46.02 45.57 1k72 n GLY 332 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1k72 n THR 334 N 0.63 0.47 -0.30 0.00 -1.04 -1.26 -4.84 114.28 107.94 1k72 n THR 334 Ca 0.01 -0.09 0.14 0.00 -2.04 0.00 0.00 64.05 62.07 1k72 n THR 334 Cb 0.41 -1.83 0.31 0.00 -1.82 0.00 0.00 70.33 67.40 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 8.62 0.32 0.00 -2.82 0.11 -1.92 -1.17 132.00 135.15 1k72 h PRO 335 Ca -0.48 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.61 1k72 h PRO 335 Cb 1.27 -0.07 0.00 0.00 0.11 0.00 0.00 31.00 32.30 1k72 h PRO 335 CO 0.94 0.21 0.00 0.66 -0.21 0.00 0.00 178.00 179.60 1k72 h SER 336 N 0.33 0.00 0.38 -2.05 4.64 -2.04 -2.86 113.55 111.96 1k72 h SER 336 Ca 0.57 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.89 1k72 h SER 336 Cb 1.13 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.22 1k72 h SER 336 CO -0.58 0.00 -1.10 0.29 -0.87 0.00 0.00 176.83 174.58 1k72 n LYS 337 N -2.64 0.30 -0.10 4.77 5.02 -0.45 -4.38 118.16 120.69 1k72 n LYS 337 Ca 0.00 -0.02 -0.06 0.00 -2.02 0.00 0.00 58.31 56.22 1k72 n LYS 337 Cb 0.19 -1.59 0.01 0.00 -0.02 0.00 0.00 35.03 33.62 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 0.00 0.61 -0.11 -0.18 2.07 -1.46 0.16 116.25 117.34 1k72 h VAL 338 Ca 0.00 0.00 -0.10 0.00 0.82 0.00 0.00 66.70 67.42 1k72 h VAL 338 Cb 0.74 0.61 -0.01 0.00 -1.52 0.00 0.00 31.29 31.11 1k72 h VAL 338 CO 0.00 0.00 -0.37 0.77 0.02 0.00 0.00 177.57 177.99 1k72 h SER 339 N -0.02 0.24 -0.09 0.57 4.64 -1.78 -0.69 113.55 116.41 1k72 h SER 339 Ca 0.17 -0.09 -0.02 0.00 -0.47 0.00 0.00 61.79 61.39 1k72 h SER 339 Cb 0.29 -0.07 -0.00 0.00 -0.31 0.00 0.00 62.40 62.31 1k72 h SER 339 CO -0.38 0.59 -0.01 0.58 -0.87 0.00 0.00 176.83 176.74 1k72 h VAL 340 N 0.20 1.27 -0.60 0.95 2.07 -1.47 -0.16 116.25 118.51 1k72 h VAL 340 Ca 0.02 -0.88 -0.10 0.00 0.82 0.00 0.00 66.70 66.56 1k72 h VAL 340 Cb 0.74 1.67 -0.02 0.00 -1.52 0.00 0.00 31.29 32.16 1k72 h VAL 340 CO 0.06 0.25 -0.02 1.88 0.02 0.00 0.00 177.57 179.76 1k72 h TYR 341 N -0.13 1.17 -0.30 1.57 0.05 -0.60 -1.51 116.97 117.22 1k72 h TYR 341 Ca 0.03 -0.21 -0.12 0.00 0.05 0.00 0.00 58.73 58.48 1k72 h TYR 341 Cb 0.39 -0.30 -0.01 0.00 1.01 0.00 0.00 36.73 37.82 1k72 h TYR 341 CO 0.04 1.03 -0.30 0.87 -1.05 0.00 0.00 178.16 178.76 1k72 h LYS 342 N 0.97 0.61 -0.40 4.88 1.57 -1.07 -1.36 116.57 121.77 1k72 h LYS 342 Ca 0.17 -0.26 -0.07 0.00 -1.87 0.00 0.00 60.65 58.62 1k72 h LYS 342 Cb 0.58 -0.02 -0.02 0.00 0.08 0.00 0.00 32.23 32.85 1k72 h LYS 342 CO 0.03 0.84 -0.03 -0.44 -0.57 0.00 0.00 179.45 179.28 1k72 h ASP 343 N 0.53 0.64 -0.32 0.86 3.45 -0.70 -2.27 116.42 118.60 1k72 h ASP 343 Ca 0.07 -0.15 -0.05 0.00 0.43 0.00 0.00 57.03 57.33 1k72 h ASP 343 Cb 0.78 -0.17 -0.01 0.00 -0.56 0.00 0.00 39.33 39.37 1k72 h ASP 343 CO 0.06 0.73 0.00 0.15 -1.57 0.00 0.00 179.24 178.61 1k72 h PHE 344 N 0.62 0.61 -0.56 4.55 3.57 -0.95 0.42 116.94 125.21 1k72 h PHE 344 Ca 0.12 -0.11 0.05 0.00 3.53 0.00 0.00 57.97 61.57 1k72 h PHE 344 Cb 0.44 -0.16 -0.05 0.00 2.79 0.00 0.00 35.95 38.97 1k72 h PHE 344 CO 0.02 0.68 0.28 1.25 -2.23 0.00 0.00 178.31 178.31 1k72 h LEU 345 N 0.36 0.39 -0.22 0.59 5.85 -1.01 -1.45 115.31 119.83 1k72 h LEU 345 Ca 0.09 0.03 -0.07 0.00 0.84 0.00 0.00 57.88 58.77 1k72 h LEU 345 Cb 0.44 -0.04 -0.00 0.00 0.37 0.00 0.00 40.66 41.43 1k72 h LEU 345 CO 0.02 0.26 -0.15 0.50 -0.34 0.00 0.00 178.44 178.73 1k72 h LYS 346 N 0.53 0.48 -0.82 1.25 3.64 -1.19 -2.42 116.57 118.04 1k72 h LYS 346 Ca 0.25 -0.23 -0.03 0.00 -1.27 0.00 0.00 60.65 59.38 1k72 h LYS 346 Cb 0.17 -0.00 -0.04 0.00 -0.41 0.00 0.00 32.23 31.95 1k72 h LYS 346 CO -0.18 0.78 0.41 0.66 -2.27 0.00 0.00 179.45 178.86 1k72 h SER 347 N 0.17 1.06 -0.26 4.20 4.64 -0.68 0.06 113.55 122.74 1k72 h SER 347 Ca 0.04 -0.13 -0.15 0.00 -0.47 0.00 0.00 61.79 61.09 1k72 h SER 347 Cb 0.66 -0.27 -0.00 0.00 -0.31 0.00 0.00 62.40 62.48 1k72 h SER 347 CO 0.04 0.89 -0.43 1.56 -0.87 0.00 0.00 176.83 178.02 1k72 h GLN 348 N 1.16 0.75 -0.54 4.77 1.08 -1.29 -1.57 115.11 119.46 1k72 h GLN 348 Ca 0.28 -0.46 -0.09 0.00 -1.45 0.00 0.00 58.65 56.93 1k72 h GLN 348 Cb 0.09 0.05 -0.02 0.00 -0.05 0.00 0.00 27.48 27.55 1k72 h GLN 348 CO -0.04 1.09 -0.04 0.82 -0.95 0.00 0.00 178.83 179.71 1k72 h ILE 349 N 0.49 1.26 -0.12 2.54 1.08 -1.30 -2.62 117.51 118.84 1k72 h ILE 349 Ca 0.02 -1.15 -0.08 0.00 -0.39 0.00 0.00 64.86 63.26 1k72 h ILE 349 Cb 1.03 0.88 -0.01 0.00 -3.07 0.00 0.00 36.82 35.65 1k72 h ILE 349 CO 0.10 0.41 -0.27 0.44 -0.69 0.00 0.00 178.15 178.14 1k72 h ASP 350 N 0.87 0.22 -0.53 1.72 5.19 -0.87 -0.93 116.42 122.09 1k72 h ASP 350 Ca 0.15 -0.07 -0.05 0.00 -0.62 0.00 0.00 57.03 56.45 1k72 h ASP 350 Cb 0.56 -0.06 -0.02 0.00 0.18 0.00 0.00 39.33 39.99 1k72 h ASP 350 CO 0.03 0.49 0.14 0.22 -3.12 0.00 0.00 179.24 177.01 1k72 h TYR 351 N 0.20 0.88 -0.32 4.55 5.03 -1.01 0.23 116.97 126.53 1k72 h TYR 351 Ca 0.03 -0.10 -0.09 0.00 2.58 0.00 0.00 58.73 61.15 1k72 h TYR 351 Cb 0.59 -0.25 -0.02 0.00 1.55 0.00 0.00 36.73 38.60 1k72 h TYR 351 CO 0.01 0.77 -0.16 0.00 -1.32 0.00 0.00 178.16 177.45 1k72 h ALA 352 N 1.01 1.12 0.00 1.82 0.00 -1.03 -3.22 119.26 118.96 1k72 h ALA 352 Ca 0.17 -0.31 -0.13 0.00 0.00 0.00 0.00 54.91 54.64 1k72 h ALA 352 Cb 0.32 -0.14 -0.02 0.00 0.00 0.00 0.00 17.79 17.95 1k72 h ALA 352 CO -0.00 0.55 -0.96 -0.07 0.00 0.00 0.00 179.25 178.77 1k72 h LEU 353 N 0.52 0.00 0.00 0.00 3.38 -0.92 -1.19 115.31 117.10 1k72 h LEU 353 Ca 0.09 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.06 1k72 h LEU 353 Cb 0.58 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.33 1k72 h LEU 353 CO 0.04 0.52 0.00 0.61 0.09 0.00 0.00 178.44 179.70 1k72 n GLY 354 N 1.31 -0.13 0.28 0.83 0.00 0.26 -4.10 105.19 103.63 1k72 n GLY 354 Ca -0.04 0.00 0.19 0.00 0.00 0.00 0.00 46.02 46.17 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 -0.03 1.61 4.64 -0.83 -0.56 113.55 118.38 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 0.00 0.00 0.35 -0.87 0.00 0.00 176.83 176.31 1k72 n THR 356 N -2.93 0.03 0.00 2.95 -2.24 -1.26 -4.91 114.28 105.92 1k72 n THR 356 Ca -0.01 -0.25 0.00 0.00 -2.27 0.00 0.00 64.05 61.52 1k72 n THR 356 Cb 0.17 0.42 0.00 0.00 -2.10 0.00 0.00 70.33 68.82 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 1.16 1.53 3.11 3.38 0.00 -0.22 -5.07 105.19 109.07 1k72 n GLY 357 Ca 0.19 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 46.11 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 -0.56 0.57 0.24 1.61 1.04 -1.24 -4.81 118.95 115.79 1k72 s ARG 358 Ca 0.00 -0.71 -0.17 0.00 -1.04 0.00 0.00 55.73 53.80 1k72 s ARG 358 Cb 0.00 0.22 -0.08 0.00 -2.04 0.00 0.00 34.95 33.05 1k72 s ARG 358 CO 0.00 -0.14 0.70 0.45 -0.04 0.00 0.00 175.30 176.27 1k72 s SER 359 N -2.02 6.93 -0.06 -2.89 0.15 0.64 -3.83 113.70 112.61 1k72 s SER 359 Ca -0.06 1.31 0.15 0.00 0.70 0.00 0.00 55.95 58.05 1k72 s SER 359 Cb -0.02 -2.38 0.49 0.00 -1.71 0.00 0.00 66.02 62.40 1k72 s SER 359 CO -0.04 -0.03 1.41 0.49 1.20 0.00 0.00 173.24 176.28 1k72 n PHE 360 N 0.41 0.85 -3.84 3.44 3.01 -0.45 -3.73 117.46 117.16 1k72 n PHE 360 Ca -0.01 -0.59 -0.36 0.00 1.01 0.00 0.00 57.45 57.50 1k72 n PHE 360 Cb 0.52 -0.12 -0.13 0.00 -0.01 0.00 0.00 39.48 39.73 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 -1.51 3.72 0.21 -4.37 1.01 -1.26 -1.87 120.40 116.34 1k72 s VAL 361 Ca 0.37 -0.47 -0.32 0.00 0.00 0.00 0.00 61.98 61.56 1k72 s VAL 361 Cb 0.23 -2.76 -0.13 0.00 0.00 0.00 0.00 36.38 33.71 1k72 s VAL 361 CO 0.19 0.32 1.55 0.52 0.00 0.00 0.00 175.10 177.68 1k72 n VAL 362 N 4.84 0.43 -2.05 2.92 0.31 0.04 -2.24 118.33 122.57 1k72 n VAL 362 Ca -0.17 -0.11 -0.15 0.00 -0.01 0.00 0.00 64.34 63.91 1k72 n VAL 362 Cb 0.50 -1.64 -0.02 0.00 -0.91 0.00 0.00 33.84 31.77 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 2.93 0.22 3.05 2.92 0.00 -1.26 -1.56 105.19 111.50 1k72 n GLY 363 Ca 0.14 -0.29 -0.12 0.00 0.00 0.00 0.00 46.02 45.75 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 -2.68 -0.11 0.00 1.61 6.14 -0.95 -4.79 117.35 116.58 1k72 s TYR 364 Ca 0.00 0.26 0.00 0.00 0.64 0.00 0.00 57.07 57.97 1k72 s TYR 364 Cb 0.00 0.03 0.00 0.00 0.42 0.00 0.00 41.96 42.41 1k72 s TYR 364 CO 0.00 -0.13 0.00 0.41 0.64 0.00 0.00 175.55 176.47 1k72 n GLY 365 N 2.62 0.13 3.71 8.97 0.00 -1.26 -4.28 105.19 115.08 1k72 n GLY 365 Ca -0.15 -0.96 -0.41 0.00 0.00 0.00 0.00 46.02 44.50 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 4.98 -1.26 1.61 1.01 -1.26 -4.38 120.40 121.09 1k72 s VAL 366 Ca 0.00 1.63 -0.26 0.00 0.00 0.00 0.00 61.98 63.35 1k72 s VAL 366 Cb 0.00 -4.13 0.03 0.00 0.00 0.00 0.00 36.38 32.28 1k72 s VAL 366 CO 0.00 0.20 0.59 -3.20 0.00 0.00 0.00 175.10 172.69 1k72 n ASN 367 N 4.01 -3.43 -4.75 3.32 4.05 -1.26 -0.26 115.26 116.94 1k72 n ASN 367 Ca 0.01 -1.24 -0.30 0.00 0.45 0.00 0.00 54.58 53.50 1k72 n ASN 367 Cb 0.51 -2.00 0.11 0.00 1.23 0.00 0.00 39.78 39.63 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 -7.17 1.83 0.42 1.20 0.04 -1.26 -3.86 135.00 126.20 1k72 s PRO 368 Ca 0.40 1.02 -0.27 0.00 0.04 0.00 0.00 61.00 62.19 1k72 s PRO 368 Cb -0.21 -1.86 -0.09 0.00 0.04 0.00 0.00 34.50 32.38 1k72 s PRO 368 CO 0.96 -1.90 1.46 -2.14 0.04 0.00 0.00 177.00 175.41 1k72 s PRO 369 N -4.92 3.88 0.00 0.56 0.02 -1.24 -4.89 135.00 128.40 1k72 s PRO 369 Ca 0.62 2.50 0.02 0.00 0.02 0.00 0.00 61.00 64.16 1k72 s PRO 369 Cb -0.17 -2.80 -0.00 0.00 0.02 0.00 0.00 34.50 31.54 1k72 s PRO 369 CO 0.56 -0.69 0.30 1.04 -0.33 0.00 0.00 177.00 177.88 1k72 n GLN 370 N 0.10 3.14 -2.53 5.54 6.02 -1.26 -4.46 117.38 123.93 1k72 n GLN 370 Ca 0.03 -0.28 -0.18 0.00 -0.01 0.00 0.00 57.00 56.56 1k72 n GLN 370 Cb 0.41 -0.79 0.02 0.00 1.02 0.00 0.00 30.24 30.89 1k72 n GLN 370 CO 0.00 0.00 0.00 0.72 -1.01 0.00 0.00 177.06 176.77 1k72 n HIS 371 N -0.51 2.31 -1.81 1.08 8.25 -1.26 -4.26 115.22 119.02 1k72 n HIS 371 Ca 0.01 -2.82 -0.39 0.00 -0.26 0.00 0.00 57.72 54.26 1k72 n HIS 371 Cb 0.04 -0.23 0.03 0.00 1.12 0.00 0.00 29.99 30.94 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 -3.41 3.35 -0.87 -0.41 0.04 -1.26 -2.73 135.00 129.71 1k72 s PRO 372 Ca 0.39 2.27 -0.25 0.00 0.04 0.00 0.00 61.00 63.45 1k72 s PRO 372 Cb 0.42 -2.40 -0.02 0.00 0.04 0.00 0.00 34.50 32.54 1k72 s PRO 372 CO -0.07 -1.03 1.82 -1.58 0.04 0.00 0.00 177.00 176.18 1k72 s HIS 373 N -1.28 1.92 -0.21 0.56 2.46 -0.03 -4.83 115.29 113.88 1k72 s HIS 373 Ca 0.68 0.39 -0.08 0.00 0.47 0.00 0.00 55.06 56.52 1k72 s HIS 373 Cb -0.41 -4.18 0.09 0.00 -0.13 0.00 0.00 32.58 27.95 1k72 s HIS 373 CO 0.50 -1.88 0.45 -1.58 -2.47 0.00 0.00 174.74 169.76 1k72 s HIS 374 N 8.91 -0.86 0.06 3.88 5.04 -1.26 -3.99 115.29 127.07 1k72 s HIS 374 Ca 0.64 1.62 -0.27 0.00 -1.54 0.00 0.00 55.06 55.52 1k72 s HIS 374 Cb -0.07 0.37 -0.17 0.00 0.04 0.00 0.00 32.58 32.76 1k72 s HIS 374 CO 0.02 -0.50 1.58 0.00 -2.34 0.00 0.00 174.74 173.50 1k72 h ARG 375 N 8.08 -0.38 -0.26 2.88 3.08 -1.64 -2.46 114.38 123.68 1k72 h ARG 375 Ca -0.17 0.03 -0.14 0.00 0.07 0.00 0.00 59.98 59.76 1k72 h ARG 375 Cb 1.11 0.09 -0.01 0.00 0.08 0.00 0.00 29.97 31.24 1k72 h ARG 375 CO 0.13 -0.19 -0.42 1.15 -1.07 0.00 0.00 179.97 179.57 1k72 h THR 376 N -0.48 1.30 -0.32 2.04 2.02 -1.83 -1.25 112.91 114.38 1k72 h THR 376 Ca -0.04 -1.60 -0.12 0.00 0.77 0.00 0.00 66.41 65.42 1k72 h THR 376 Cb 0.36 1.55 -0.01 0.00 -1.74 0.00 0.00 68.15 68.31 1k72 h THR 376 CO 0.07 0.51 -0.29 0.00 0.37 0.00 0.00 175.52 176.17 1k72 h ALA 377 N 1.00 0.89 0.12 6.16 0.00 -1.90 -3.10 119.26 122.44 1k72 h ALA 377 Ca 0.04 -0.39 -0.01 0.00 0.00 0.00 0.00 54.91 54.55 1k72 h ALA 377 Cb 0.95 -0.13 0.00 0.00 0.00 0.00 0.00 17.79 18.61 1k72 h ALA 377 CO 0.09 0.63 -0.06 1.25 0.00 0.00 0.00 179.25 181.15 1k72 h HIS 378 N 0.57 -0.15 -2.40 0.00 6.17 -1.33 -0.99 115.15 117.02 1k72 h HIS 378 Ca 0.07 -0.00 -0.09 0.00 0.71 0.00 0.00 60.37 61.05 1k72 h HIS 378 Cb 0.79 0.05 0.04 0.00 2.52 0.00 0.00 27.41 30.81 1k72 h HIS 378 CO 0.04 0.20 -0.17 0.41 0.71 0.00 0.00 177.93 179.11 1k72 n GLY 379 N -0.19 0.48 3.77 5.26 0.00 -0.48 -1.24 105.19 112.78 1k72 n GLY 379 Ca -0.09 -0.42 -0.37 0.00 0.00 0.00 0.00 46.02 45.15 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 -3.16 5.79 0.00 1.61 0.15 -1.26 -4.76 113.70 112.07 1k72 s SER 380 Ca 0.10 2.36 0.04 0.00 0.70 0.00 0.00 55.95 59.15 1k72 s SER 380 Cb -0.04 -2.60 0.09 0.00 -1.71 0.00 0.00 66.02 61.76 1k72 s SER 380 CO 0.18 -1.18 1.01 -2.67 1.20 0.00 0.00 173.24 171.78 1k72 n TRP 381 N -0.91 0.13 -0.79 3.44 2.14 -1.26 -4.39 117.44 115.80 1k72 n TRP 381 Ca 0.10 -0.42 0.03 0.00 2.07 0.00 0.00 57.50 59.28 1k72 n TRP 381 Cb 0.48 -0.04 0.05 0.00 -0.81 0.00 0.00 31.31 31.00 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 -0.09 1.01 -3.56 -1.67 -2.24 -1.26 -2.36 114.28 104.11 1k72 n THR 382 Ca 0.04 -1.14 -0.20 0.00 -2.27 0.00 0.00 64.05 60.47 1k72 n THR 382 Cb 0.28 0.32 0.07 0.00 -2.10 0.00 0.00 70.33 68.90 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 -0.68 -2.34 -3.75 3.42 2.03 -1.24 -3.51 116.55 110.49 1k72 n ASP 383 Ca 0.05 -0.69 -0.19 0.00 0.52 0.00 0.00 54.79 54.49 1k72 n ASP 383 Cb 0.48 -4.70 -0.17 0.00 -0.72 0.00 0.00 41.12 36.01 1k72 n ASP 383 CO 0.00 0.00 0.00 -1.10 -1.92 0.00 0.00 177.20 174.18 1k72 s GLN 384 N -5.73 0.16 0.45 -0.67 -0.21 -1.25 -4.71 119.66 107.70 1k72 s GLN 384 Ca 0.10 0.21 0.20 0.00 0.02 0.00 0.00 55.36 55.89 1k72 s GLN 384 Cb -0.04 -0.54 1.09 0.00 1.00 0.00 0.00 33.01 34.52 1k72 s GLN 384 CO 0.76 -0.24 1.96 0.52 -2.12 0.00 0.00 175.29 176.17 1k72 h MET 385 N 7.88 0.00 0.00 2.91 2.86 -1.95 -3.05 114.93 123.58 1k72 h MET 385 Ca -0.28 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.36 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 0.32 0.22 0.00 0.25 1.06 0.00 0.00 176.91 178.76 1k72 n THR 386 N -3.89 0.49 -3.77 2.22 -2.24 -1.26 -4.84 114.28 101.00 1k72 n THR 386 Ca -0.02 -0.11 -0.14 0.00 -2.27 0.00 0.00 64.05 61.52 1k72 n THR 386 Cb 0.31 -0.66 -0.14 0.00 -2.10 0.00 0.00 70.33 67.73 1k72 n THR 386 CO 0.00 0.00 0.00 -0.94 -0.57 0.00 0.00 175.07 173.56 1k72 s SER 387 N -3.99 -0.07 1.04 3.42 1.04 -1.16 -3.76 113.70 110.23 1k72 s SER 387 Ca 0.10 0.22 -0.12 0.00 0.48 0.00 0.00 55.95 56.63 1k72 s SER 387 Cb 0.14 0.13 0.22 0.00 0.10 0.00 0.00 66.02 66.60 1k72 s SER 387 CO 0.53 -0.12 1.07 -2.16 0.98 0.00 0.00 173.24 173.55 1k72 s PRO 388 N 0.88 0.05 0.00 4.02 0.04 -1.26 -4.41 135.00 134.31 1k72 s PRO 388 Ca -0.07 0.69 0.08 0.00 0.04 0.00 0.00 61.00 61.74 1k72 s PRO 388 Cb -0.09 -1.68 0.39 0.00 0.04 0.00 0.00 34.50 33.16 1k72 s PRO 388 CO -0.04 -3.03 1.26 0.25 0.04 0.00 0.00 177.00 175.48 1k72 n THR 389 N -4.41 0.06 -4.00 1.26 -2.24 -1.25 -4.79 114.28 98.91 1k72 n THR 389 Ca 0.05 -0.07 -0.08 0.00 -2.27 0.00 0.00 64.05 61.68 1k72 n THR 389 Cb 0.56 -0.04 -0.09 0.00 -2.10 0.00 0.00 70.33 68.66 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 -1.94 0.36 0.10 4.78 -0.85 -1.26 -5.11 117.35 113.43 1k72 s TYR 390 Ca 0.12 -0.81 -0.30 0.00 -0.52 0.00 0.00 57.07 55.56 1k72 s TYR 390 Cb 0.06 -0.26 -0.06 0.00 0.38 0.00 0.00 41.96 42.09 1k72 s TYR 390 CO 0.09 -0.39 1.03 -1.01 -1.52 0.00 0.00 175.55 173.75 1k72 s HIS 391 N -3.42 3.68 -0.04 -3.49 3.76 -1.26 -4.94 115.29 109.58 1k72 s HIS 391 Ca 0.02 1.66 0.31 0.00 -0.15 0.00 0.00 55.06 56.90 1k72 s HIS 391 Cb 0.04 -3.17 1.10 0.00 1.11 0.00 0.00 32.58 31.65 1k72 s HIS 391 CO -0.08 -0.24 1.89 0.00 -0.85 0.00 0.00 174.74 175.45 1k72 h ARG 392 N 5.85 0.00 -5.25 1.40 3.08 -1.05 -3.45 114.38 114.96 1k72 h ARG 392 Ca -0.43 0.00 -0.38 0.00 0.07 0.00 0.00 59.98 59.25 1k72 h ARG 392 Cb 1.21 0.00 -0.17 0.00 0.08 0.00 0.00 29.97 31.09 1k72 h ARG 392 CO 0.74 0.00 -0.74 -1.01 -1.07 0.00 0.00 179.97 177.89 1k72 s HIS 393 N -3.55 1.33 -0.36 3.04 3.76 -0.39 -4.96 115.29 114.16 1k72 s HIS 393 Ca 0.03 -0.63 -0.09 0.00 -0.15 0.00 0.00 55.06 54.22 1k72 s HIS 393 Cb 0.08 -0.68 0.03 0.00 1.11 0.00 0.00 32.58 33.12 1k72 s HIS 393 CO 0.58 0.12 0.15 0.99 -0.85 0.00 0.00 174.74 175.73 1k72 s THR 394 N -2.59 4.16 -1.24 1.30 2.01 -1.26 -4.72 115.64 113.30 1k72 s THR 394 Ca 0.12 -1.01 -0.12 0.00 0.31 0.00 0.00 61.69 60.99 1k72 s THR 394 Cb -0.02 -3.34 0.17 0.00 0.01 0.00 0.00 72.50 69.32 1k72 s THR 394 CO 0.02 -0.21 1.61 0.00 -0.69 0.00 0.00 174.62 175.35 1k72 n ILE 395 N 4.90 4.29 -1.57 1.82 3.06 -1.26 -4.99 119.36 125.61 1k72 n ILE 395 Ca -0.12 -4.60 -0.46 0.00 -2.50 0.00 0.00 62.75 55.07 1k72 n ILE 395 Cb 0.45 -2.42 -0.02 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 5.00 1.18 0.00 9.51 4.01 -1.26 -2.93 117.16 132.66 1k72 n TYR 396 Ca 0.38 0.71 0.00 0.00 -0.16 0.00 0.00 57.90 58.83 1k72 n TYR 396 Cb 0.40 -2.24 0.00 0.00 -0.31 0.00 0.00 39.34 37.19 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 1.55 2.80 3.68 2.72 0.00 -0.60 -3.23 105.19 112.12 1k72 n GLY 397 Ca 0.12 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.72 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 -1.98 3.71 -0.35 4.61 0.00 -1.15 -4.32 121.76 122.26 1k72 s ALA 398 Ca 0.00 1.35 -0.20 0.00 0.00 0.00 0.00 51.96 53.10 1k72 s ALA 398 Cb 0.00 -3.76 0.00 0.00 0.00 0.00 0.00 23.12 19.36 1k72 s ALA 398 CO 0.00 -1.27 0.64 -1.17 0.00 0.00 0.00 175.76 173.95 1k72 s LEU 399 N 3.11 4.25 0.91 0.00 2.96 -1.26 -0.78 118.68 127.87 1k72 s LEU 399 Ca 0.80 0.17 -0.11 0.00 -0.22 0.00 0.00 54.13 54.77 1k72 s LEU 399 Cb -0.43 -2.79 0.14 0.00 0.50 0.00 0.00 46.19 43.61 1k72 s LEU 399 CO 0.36 -0.59 1.09 0.68 -1.32 0.00 0.00 176.35 176.58 1k72 s VAL 400 N 2.70 2.59 0.17 1.68 -7.23 -0.78 -4.56 120.40 114.98 1k72 s VAL 400 Ca 0.24 0.19 -0.23 0.00 -1.81 0.00 0.00 61.98 60.37 1k72 s VAL 400 Cb -0.14 -2.59 0.07 0.00 0.56 0.00 0.00 36.38 34.28 1k72 s VAL 400 CO 0.15 -0.25 1.58 1.23 -0.31 0.00 0.00 175.10 177.50 1k72 h GLY 401 N -1.65 -0.30 0.00 2.32 0.00 -1.00 -3.43 103.07 99.01 1k72 h GLY 401 Ca -0.50 0.49 0.00 0.00 0.00 0.00 0.00 47.33 47.32 1k72 h GLY 401 CO 0.53 -0.19 0.00 0.61 0.00 0.00 0.00 176.54 177.49 1k72 n GLY 402 N -1.42 2.62 3.73 4.60 0.00 -0.41 -0.91 105.19 113.40 1k72 n GLY 402 Ca 0.02 -2.09 -0.29 0.00 0.00 0.00 0.00 46.02 43.66 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 -1.98 0.94 0.56 1.61 0.04 -1.26 -4.59 135.00 130.32 1k72 s PRO 403 Ca 0.00 0.49 -0.09 0.00 0.04 0.00 0.00 61.00 61.44 1k72 s PRO 403 Cb 0.00 -1.80 0.13 0.00 0.04 0.00 0.00 34.50 32.87 1k72 s PRO 403 CO 0.00 -2.38 0.76 -0.40 0.04 0.00 0.00 177.00 175.02 1k72 n ASP 404 N -3.92 0.12 0.20 6.66 3.85 0.07 -4.73 116.55 118.80 1k72 n ASP 404 Ca 0.06 -1.31 0.14 0.00 -0.71 0.00 0.00 54.79 52.97 1k72 n ASP 404 Cb 0.58 -0.57 0.72 0.00 -1.35 0.00 0.00 41.12 40.50 1k72 n ASP 404 CO 0.00 0.00 0.00 -1.13 -1.01 0.00 0.00 177.20 175.06 1k72 h ASN 405 N -0.96 0.00 -0.21 -1.12 -0.00 -1.95 -1.59 115.58 109.75 1k72 h ASN 405 Ca -0.24 0.00 -0.08 0.00 -0.00 0.00 0.00 56.30 55.98 1k72 h ASN 405 Cb 0.69 0.00 -0.05 0.00 -0.00 0.00 0.00 38.32 38.96 1k72 h ASN 405 CO 0.18 0.00 -0.12 0.00 -0.00 0.00 0.00 177.43 177.49 1k72 n ALA 406 N -1.84 3.57 -0.96 1.57 0.00 -1.26 -4.37 120.51 117.22 1k72 n ALA 406 Ca -0.02 -2.90 0.00 0.00 0.00 0.00 0.00 53.44 50.53 1k72 n ALA 406 Cb 0.05 -0.61 0.00 0.00 0.00 0.00 0.00 19.45 18.89 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 -1.04 -4.18 -4.77 0.00 8.00 -0.60 -4.86 116.55 109.12 1k72 n ASP 407 Ca 0.25 0.00 -0.40 0.00 0.71 0.00 0.00 54.79 55.35 1k72 n ASP 407 Cb 0.88 -2.19 -0.03 0.00 -0.02 0.00 0.00 41.12 39.77 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 -2.00 2.99 -0.25 0.44 0.00 -1.26 -4.72 107.32 102.52 1k72 s GLY 408 Ca 0.00 1.08 -0.17 0.00 0.00 0.00 0.00 44.72 45.63 1k72 s GLY 408 CO 0.00 1.69 0.64 -0.47 0.00 0.00 0.00 173.10 174.95 1k72 s TYR 409 N -1.21 -0.88 -0.20 1.90 5.04 -1.26 -0.75 117.35 120.00 1k72 s TYR 409 Ca 0.49 1.88 0.01 0.00 -2.44 0.00 0.00 57.07 57.01 1k72 s TYR 409 Cb -0.35 0.45 0.04 0.00 0.35 0.00 0.00 41.96 42.44 1k72 s TYR 409 CO 0.46 -0.44 -0.11 0.99 -1.34 0.00 0.00 175.55 175.11 1k72 s THR 410 N 1.15 1.67 -1.21 4.34 2.01 -1.26 -5.05 115.64 117.29 1k72 s THR 410 Ca -0.06 -1.00 -0.18 0.00 0.31 0.00 0.00 61.69 60.76 1k72 s THR 410 Cb -0.05 -1.72 0.09 0.00 0.01 0.00 0.00 72.50 70.82 1k72 s THR 410 CO -0.12 0.20 1.60 -0.62 -0.69 0.00 0.00 174.62 174.99 1k72 s ASP 411 N 1.39 6.81 0.03 3.53 2.15 -1.26 -4.79 116.67 124.52 1k72 s ASP 411 Ca -0.01 -2.34 0.05 0.00 0.43 0.00 0.00 52.55 50.68 1k72 s ASP 411 Cb -0.16 -2.54 -0.02 0.00 -0.30 0.00 0.00 42.92 39.90 1k72 s ASP 411 CO -0.08 -1.15 -0.14 -1.61 -0.17 0.00 0.00 175.17 172.01 1k72 s GLU 412 N 3.82 0.96 0.45 4.34 2.02 -1.26 -4.63 118.70 124.41 1k72 s GLU 412 Ca 0.49 -0.69 0.14 0.00 0.02 0.00 0.00 54.97 54.93 1k72 s GLU 412 Cb 0.02 -0.96 1.02 0.00 0.10 0.00 0.00 34.13 34.30 1k72 s GLU 412 CO 0.02 0.24 2.00 0.97 0.02 0.00 0.00 175.26 178.52 1k72 h ILE 413 N 4.57 1.12 -0.00 -1.63 2.10 -1.83 -2.83 117.51 119.01 1k72 h ILE 413 Ca -0.37 -0.57 0.00 0.00 1.08 0.00 0.00 64.86 65.00 1k72 h ILE 413 Cb 1.18 1.29 0.00 0.00 -1.09 0.00 0.00 36.82 38.20 1k72 h ILE 413 CO 0.45 0.16 -0.16 -0.46 -1.08 0.00 0.00 178.15 177.07 1k72 n ASN 414 N -4.34 0.16 -4.54 2.19 0.23 -1.26 -4.15 115.26 103.55 1k72 n ASN 414 Ca -0.02 0.24 -0.43 0.00 -0.53 0.00 0.00 54.58 53.83 1k72 n ASN 414 Cb 0.23 -0.26 -0.00 0.00 -2.08 0.00 0.00 39.78 37.67 1k72 n ASN 414 CO 0.00 0.00 0.00 0.21 -0.93 0.00 0.00 177.26 176.54 1k72 s ASN 415 N -2.99 6.90 0.07 0.53 2.47 -1.07 -4.79 114.94 116.07 1k72 s ASN 415 Ca 0.13 -2.58 0.27 0.00 0.42 0.00 0.00 52.86 51.10 1k72 s ASN 415 Cb 0.19 -2.52 1.06 0.00 -1.45 0.00 0.00 41.25 38.53 1k72 s ASN 415 CO 0.58 -1.04 1.84 0.00 -3.72 0.00 0.00 177.10 174.76 1k72 n TYR 416 N 7.48 0.28 -0.03 0.43 0.18 -1.26 -0.42 117.16 123.82 1k72 n TYR 416 Ca 0.44 0.08 -0.14 0.00 1.88 0.00 0.00 57.90 60.16 1k72 n TYR 416 Cb 0.45 -0.64 -0.11 0.00 -0.38 0.00 0.00 39.34 38.67 1k72 n TYR 416 CO 0.00 0.00 0.00 0.28 -2.08 0.00 0.00 176.86 175.06 1k72 h VAL 417 N 0.00 1.53 -0.00 -3.48 2.07 -1.96 -3.29 116.25 111.12 1k72 h VAL 417 Ca 0.00 -1.78 0.00 0.00 0.82 0.00 0.00 66.70 65.74 1k72 h VAL 417 Cb 0.53 2.64 0.00 0.00 -1.52 0.00 0.00 31.29 32.94 1k72 h VAL 417 CO 0.00 0.48 -0.58 0.59 0.02 0.00 0.00 177.57 178.09 1k72 n ASN 418 N -4.59 0.84 -0.29 0.57 3.02 -1.24 -3.71 115.26 109.86 1k72 n ASN 418 Ca -0.09 -0.92 0.07 0.00 -0.03 0.00 0.00 54.58 53.61 1k72 n ASN 418 Cb 0.44 0.89 0.10 0.00 -0.61 0.00 0.00 39.78 40.60 1k72 n ASN 418 CO 0.00 0.00 0.00 -3.20 -2.62 0.00 0.00 177.26 171.44 1k72 n ASN 419 N -1.07 1.60 -4.96 6.41 5.15 0.44 -1.29 115.26 121.55 1k72 n ASN 419 Ca 0.03 -2.83 -0.22 0.00 -0.60 0.00 0.00 54.58 50.96 1k72 n ASN 419 Cb 0.23 -0.37 0.03 0.00 -0.53 0.00 0.00 39.78 39.14 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 -2.02 2.76 0.07 1.20 2.12 -1.24 -0.85 118.70 120.75 1k72 s GLU 420 Ca 0.24 -0.58 0.05 0.00 0.36 0.00 0.00 54.97 55.04 1k72 s GLU 420 Cb 0.22 -2.48 -0.03 0.00 0.26 0.00 0.00 34.13 32.09 1k72 s GLU 420 CO 0.00 -0.56 -0.15 0.96 -0.54 0.00 0.00 175.26 174.97 1k72 s ILE 421 N -2.72 1.19 0.15 -3.70 -4.36 -1.26 -1.40 121.20 109.10 1k72 s ILE 421 Ca 0.54 -1.31 -0.23 0.00 -0.26 0.00 0.00 60.65 59.39 1k72 s ILE 421 Cb -0.10 -1.13 0.07 0.00 1.25 0.00 0.00 42.46 42.55 1k72 s ILE 421 CO 0.39 -0.18 0.62 0.00 0.24 0.00 0.00 174.94 176.01 1k72 s ALA 422 N -1.22 -1.61 0.15 2.27 0.00 -1.26 -3.05 121.76 117.03 1k72 s ALA 422 Ca -0.01 0.52 -0.22 0.00 0.00 0.00 0.00 51.96 52.25 1k72 s ALA 422 Cb -0.10 0.86 0.02 0.00 0.00 0.00 0.00 23.12 23.91 1k72 s ALA 422 CO 0.02 -0.77 1.64 0.00 0.00 0.00 0.00 175.76 176.66 1k72 h ASP 424 N -0.21 0.00 -0.76 0.00 2.03 -1.83 -2.51 116.42 113.14 1k72 h ASP 424 Ca 0.13 0.00 -0.04 0.00 -0.73 0.00 0.00 57.03 56.39 1k72 h ASP 424 Cb 0.41 0.00 -0.03 0.00 -0.83 0.00 0.00 39.33 38.88 1k72 h ASP 424 CO -0.35 0.16 0.31 1.88 -1.03 0.00 0.00 179.24 180.21 1k72 h TYR 425 N 0.00 1.16 -0.01 4.15 -1.99 -1.67 -2.91 116.97 115.70 1k72 h TYR 425 Ca -0.00 -0.08 0.00 0.00 2.00 0.00 0.00 58.73 60.65 1k72 h TYR 425 Cb 0.32 -0.35 0.00 0.00 2.00 0.00 0.00 36.73 38.70 1k72 h TYR 425 CO 0.00 0.88 -0.22 0.09 -0.00 0.00 0.00 178.16 178.90 1k72 n ASN 426 N -4.28 0.89 0.13 3.88 4.13 -0.97 -4.37 115.26 114.67 1k72 n ASN 426 Ca 0.07 -0.80 -0.05 0.00 1.68 0.00 0.00 54.58 55.48 1k72 n ASN 426 Cb 0.18 0.08 -0.03 0.00 -1.54 0.00 0.00 39.78 38.48 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 3.65 -0.96 -0.46 5.41 0.00 -1.28 -1.41 119.26 124.21 1k72 h ALA 427 Ca 0.00 -0.08 -0.04 0.00 0.00 0.00 0.00 54.91 54.79 1k72 h ALA 427 Cb 0.47 0.13 -0.02 0.00 0.00 0.00 0.00 17.79 18.38 1k72 h ALA 427 CO 0.00 -0.94 0.12 0.78 0.00 0.00 0.00 179.25 179.21 1k72 h GLY 428 N -0.38 0.73 0.31 0.00 0.00 -1.82 -2.86 103.07 99.05 1k72 h GLY 428 Ca -0.04 -0.39 0.10 0.00 0.00 0.00 0.00 47.33 47.00 1k72 h GLY 428 CO 0.06 0.37 0.16 -2.75 0.00 0.00 0.00 176.54 174.38 1k72 h PHE 429 N 0.66 0.26 -0.59 5.60 -0.00 -1.70 -1.17 116.94 120.01 1k72 h PHE 429 Ca 0.15 0.03 0.03 0.00 -0.00 0.00 0.00 57.97 58.19 1k72 h PHE 429 Cb 0.24 -0.03 -0.04 0.00 -0.00 0.00 0.00 35.95 36.12 1k72 h PHE 429 CO 0.01 0.02 0.35 1.15 -0.00 0.00 0.00 178.31 179.85 1k72 h THR 430 N 0.31 1.04 -0.46 4.41 2.02 -1.01 -0.18 112.91 119.04 1k72 h THR 430 Ca 0.29 -0.23 -0.09 0.00 0.77 0.00 0.00 66.41 67.15 1k72 h THR 430 Cb 0.40 0.30 -0.02 0.00 -1.74 0.00 0.00 68.15 67.09 1k72 h THR 430 CO -0.34 0.12 -0.07 1.23 0.37 0.00 0.00 175.52 176.83 1k72 h GLY 431 N 0.68 0.88 1.41 2.16 0.00 -1.28 -1.93 103.07 104.99 1k72 h GLY 431 Ca 0.24 -0.64 -0.12 0.00 0.00 0.00 0.00 47.33 46.81 1k72 h GLY 431 CO -0.12 0.59 -0.32 0.00 0.00 0.00 0.00 176.54 176.70 1k72 h ALA 432 N 1.18 0.87 -0.64 3.60 0.00 -0.77 -2.76 119.26 120.73 1k72 h ALA 432 Ca 0.13 -0.40 -0.08 0.00 0.00 0.00 0.00 54.91 54.56 1k72 h ALA 432 Cb 0.55 -0.13 -0.03 0.00 0.00 0.00 0.00 17.79 18.19 1k72 h ALA 432 CO 0.03 0.63 0.09 -0.07 0.00 0.00 0.00 179.25 179.94 1k72 h LEU 433 N 0.56 1.02 -0.94 0.00 3.38 -0.74 -1.09 115.31 117.50 1k72 h LEU 433 Ca 0.06 -0.24 0.01 0.00 0.09 0.00 0.00 57.88 57.80 1k72 h LEU 433 Cb 0.82 -0.27 -0.05 0.00 0.09 0.00 0.00 40.66 41.25 1k72 h LEU 433 CO 0.07 1.02 0.63 0.00 0.09 0.00 0.00 178.44 180.24 1k72 h ALA 434 N 1.10 1.20 -0.45 1.53 0.00 -1.21 0.52 119.26 121.95 1k72 h ALA 434 Ca 0.20 -0.06 -0.13 0.00 0.00 0.00 0.00 54.91 54.91 1k72 h ALA 434 Cb 0.44 -0.38 -0.01 0.00 0.00 0.00 0.00 17.79 17.84 1k72 h ALA 434 CO 0.01 0.59 -0.24 0.87 0.00 0.00 0.00 179.25 180.49 1k72 h LYS 435 N 1.28 0.93 -0.28 0.00 1.57 -1.19 -1.52 116.57 117.37 1k72 h LYS 435 Ca 0.35 -0.40 -0.13 0.00 -1.87 0.00 0.00 60.65 58.59 1k72 h LYS 435 Cb -0.15 -0.03 -0.01 0.00 0.08 0.00 0.00 32.23 32.13 1k72 h LYS 435 CO -0.08 1.06 -0.37 0.52 -0.57 0.00 0.00 179.45 180.01 1k72 h MET 436 N 0.80 0.63 -0.28 3.15 2.86 -0.82 -2.51 114.93 118.75 1k72 h MET 436 Ca 0.10 -0.31 -0.02 0.00 -2.06 0.00 0.00 59.70 57.42 1k72 h MET 436 Cb 0.80 -0.00 -0.01 0.00 0.06 0.00 0.00 31.60 32.45 1k72 h MET 436 CO 0.07 0.90 0.11 -0.92 1.06 0.00 0.00 176.91 178.13 1k72 h TYR 437 N 0.52 0.42 0.00 -0.22 3.20 -0.72 0.43 116.97 120.60 1k72 h TYR 437 Ca 0.05 -0.03 -0.03 0.00 3.14 0.00 0.00 58.73 61.86 1k72 h TYR 437 Cb 0.88 -0.13 -0.00 0.00 1.54 0.00 0.00 36.73 39.02 1k72 h TYR 437 CO 0.04 0.42 -0.14 1.57 -1.64 0.00 0.00 178.16 178.41 1k72 h LYS 438 N 0.30 0.00 0.05 1.82 2.10 -1.20 0.15 116.57 119.79 1k72 h LYS 438 Ca 0.09 0.00 -0.27 0.00 -2.00 0.00 0.00 60.65 58.48 1k72 h LYS 438 Cb 0.18 0.00 -0.02 0.00 -0.90 0.00 0.00 32.23 31.48 1k72 h LYS 438 CO -0.01 0.14 -1.44 1.25 -2.00 0.00 0.00 179.45 177.39 1k72 h HIS 439 N 0.00 0.20 -0.00 0.07 2.76 -0.99 -3.42 115.15 113.77 1k72 h HIS 439 Ca -0.00 -0.15 0.00 0.00 -2.20 0.00 0.00 60.37 58.02 1k72 h HIS 439 Cb 0.33 -0.01 0.00 0.00 1.55 0.00 0.00 27.41 29.29 1k72 h HIS 439 CO 0.00 1.57 -0.12 0.43 -1.30 0.00 0.00 177.93 178.50 1k72 n SER 440 N -4.11 0.92 0.00 3.26 7.64 0.15 -5.10 113.62 116.38 1k72 n SER 440 Ca -0.30 -0.96 0.00 0.00 1.01 0.00 0.00 58.87 58.62 1k72 n SER 440 Cb 0.81 0.48 0.00 0.00 -1.01 0.00 0.00 64.21 64.49 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 0.72 0.09 0.00 0.23 0.00 0.50 -4.94 105.19 101.80 1k72 n GLY 441 Ca 0.02 -0.93 0.00 0.00 0.00 0.00 0.00 46.02 45.11 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 1.21 3.74 -0.02 0.00 -1.26 -2.45 105.19 106.41 1k72 n GLY 442 Ca 0.00 -0.96 -0.41 0.00 0.00 0.00 0.00 46.02 44.65 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 7.08 0.72 1.61 -0.00 -1.26 -1.68 116.67 123.14 1k72 s ASP 443 Ca 0.00 2.29 -0.12 0.00 -0.00 0.00 0.00 52.55 54.72 1k72 s ASP 443 Cb 0.00 -2.61 0.03 0.00 -0.00 0.00 0.00 42.92 40.34 1k72 s ASP 443 CO 0.00 -0.35 1.10 -2.84 -0.00 0.00 0.00 175.17 173.08 1k72 s PRO 444 N -0.61 2.50 0.05 8.23 0.02 -1.26 -4.01 135.00 139.92 1k72 s PRO 444 Ca 0.51 1.25 -0.31 0.00 0.02 0.00 0.00 61.00 62.48 1k72 s PRO 444 Cb -0.33 -1.92 -0.06 0.00 0.02 0.00 0.00 34.50 32.20 1k72 s PRO 444 CO 0.39 -1.46 1.36 0.42 -0.33 0.00 0.00 177.00 177.38 1k72 s ILE 445 N -2.68 3.64 0.35 2.83 1.01 -1.26 -4.90 121.20 120.19 1k72 s ILE 445 Ca 0.63 1.11 -0.28 0.00 0.00 0.00 0.00 60.65 62.11 1k72 s ILE 445 Cb -0.18 -3.72 -0.11 0.00 0.01 0.00 0.00 42.46 38.47 1k72 s ILE 445 CO 0.50 0.04 1.39 -2.84 0.00 0.00 0.00 174.94 174.03 1k72 s PRO 446 N 1.73 4.25 -1.56 2.79 0.02 -1.26 -3.40 135.00 137.57 1k72 s PRO 446 Ca 0.63 2.38 -0.07 0.00 0.02 0.00 0.00 61.00 63.96 1k72 s PRO 446 Cb -0.33 -3.02 0.06 0.00 0.02 0.00 0.00 34.50 31.23 1k72 s PRO 446 CO 0.28 -0.34 0.43 0.09 -0.33 0.00 0.00 177.00 177.13 1k72 n ASN 447 N 0.65 -0.91 -4.70 2.53 3.02 -1.26 -4.85 115.26 109.73 1k72 n ASN 447 Ca 0.00 -1.09 -0.42 0.00 -0.03 0.00 0.00 54.58 53.04 1k72 n ASN 447 Cb 0.41 -2.51 -0.03 0.00 -0.61 0.00 0.00 39.78 37.04 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 -3.83 2.97 0.23 3.10 5.36 -1.22 -5.02 117.98 119.58 1k72 s PHE 448 Ca 0.26 0.79 0.02 0.00 -0.96 0.00 0.00 56.93 57.04 1k72 s PHE 448 Cb -0.15 -3.73 -0.05 0.00 -0.34 0.00 0.00 43.02 38.75 1k72 s PHE 448 CO 0.94 -2.69 0.06 0.15 -1.46 0.00 0.00 175.22 172.22 1k72 s LYS 449 N 1.80 1.33 -0.46 10.12 1.02 -1.26 -5.03 119.74 127.25 1k72 s LYS 449 Ca 0.66 -1.69 0.08 0.00 0.02 0.00 0.00 55.97 55.03 1k72 s LYS 449 Cb -0.36 -0.32 0.39 0.00 -0.52 0.00 0.00 37.83 37.02 1k72 s LYS 449 CO 0.29 -0.22 0.99 0.00 -0.92 0.00 0.00 175.35 175.49 1k72 n ALA 450 N -0.40 4.35 -2.60 5.17 0.00 0.11 -5.01 120.51 122.13 1k72 n ALA 450 Ca -0.02 -4.19 -0.43 0.00 0.00 0.00 0.00 53.44 48.79 1k72 n ALA 450 Cb 0.65 -0.71 -0.06 0.00 0.00 0.00 0.00 19.45 19.33 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 -4.47 4.81 0.29 0.00 1.09 -1.26 -3.50 121.20 118.15 1k72 s ILE 451 Ca 0.45 -0.06 -0.07 0.00 -1.10 0.00 0.00 60.65 59.86 1k72 s ILE 451 Cb 0.36 -4.26 -0.06 0.00 -1.06 0.00 0.00 42.46 37.44 1k72 s ILE 451 CO -0.13 -0.70 0.58 -1.61 -0.10 0.00 0.00 174.94 172.99 1k72 s GLU 452 N 2.84 3.71 0.25 2.79 2.02 -1.26 -4.98 118.70 124.07 1k72 s GLU 452 Ca 0.21 0.16 -0.30 0.00 0.02 0.00 0.00 54.97 55.06 1k72 s GLU 452 Cb -0.15 -2.61 -0.09 0.00 0.10 0.00 0.00 34.13 31.37 1k72 s GLU 452 CO 0.17 0.21 1.12 0.21 0.02 0.00 0.00 175.26 176.99 1k72 s LYS 453 N -3.35 4.60 -0.14 1.61 2.20 -1.26 -4.95 119.74 118.45 1k72 s LYS 453 Ca 0.46 1.82 -0.29 0.00 -0.36 0.00 0.00 55.97 57.59 1k72 s LYS 453 Cb -0.11 -3.20 -0.03 0.00 -1.51 0.00 0.00 37.83 32.97 1k72 s LYS 453 CO 0.27 0.14 1.51 0.42 -0.36 0.00 0.00 175.35 177.34 1k72 s ILE 454 N -0.88 3.84 -1.85 5.43 -1.09 -1.26 -4.89 121.20 120.50 1k72 s ILE 454 Ca 0.46 1.00 0.24 0.00 -2.23 0.00 0.00 60.65 60.12 1k72 s ILE 454 Cb -0.32 -3.71 0.07 0.00 -1.58 0.00 0.00 42.46 36.93 1k72 s ILE 454 CO 0.40 -0.16 1.25 0.35 -1.23 0.00 0.00 174.94 175.55 1k72 n THR 455 N 5.71 0.00 -3.78 2.92 -2.24 -1.26 -4.92 114.28 110.70 1k72 n THR 455 Ca 0.17 -0.19 -0.13 0.00 -2.27 0.00 0.00 64.05 61.63 1k72 n THR 455 Cb 0.44 0.92 -0.09 0.00 -2.10 0.00 0.00 70.33 69.50 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 -2.53 -0.17 0.04 3.42 4.22 -1.26 -5.11 114.94 113.55 1k72 s ASN 456 Ca 0.20 0.13 -0.30 0.00 -2.14 0.00 0.00 52.86 50.74 1k72 s ASN 456 Cb 0.18 0.35 -0.09 0.00 1.28 0.00 0.00 41.25 42.98 1k72 s ASN 456 CO 0.58 -0.36 1.92 -1.81 -2.04 0.00 0.00 177.10 175.38 1k72 s ASP 457 N -1.04 6.46 0.35 3.54 1.01 -1.26 -4.88 116.67 120.85 1k72 s ASP 457 Ca -0.11 2.65 0.04 0.00 0.71 0.00 0.00 52.55 55.84 1k72 s ASP 457 Cb -0.05 -2.54 0.64 0.00 1.01 0.00 0.00 42.92 41.98 1k72 s ASP 457 CO 0.03 -1.04 1.91 -0.33 0.21 0.00 0.00 175.17 175.95 1k72 h GLU 458 N 10.22 0.55 -3.78 8.23 5.08 -1.94 -3.41 114.58 129.53 1k72 h GLU 458 Ca -0.48 -0.10 -0.42 0.00 -1.00 0.00 0.00 59.36 57.36 1k72 h GLU 458 Cb 1.23 -0.09 -0.37 0.00 0.50 0.00 0.00 28.75 30.02 1k72 h GLU 458 CO 0.94 0.53 -0.77 0.08 -1.00 0.00 0.00 179.01 178.80 1k72 s VAL 459 N -5.09 0.39 0.31 3.13 1.01 -1.26 0.44 120.40 119.33 1k72 s VAL 459 Ca -0.08 0.06 0.03 0.00 0.00 0.00 0.00 61.98 62.00 1k72 s VAL 459 Cb 0.16 -0.51 -0.06 0.00 0.00 0.00 0.00 36.38 35.97 1k72 s VAL 459 CO 0.76 0.24 0.06 0.27 0.00 0.00 0.00 175.10 176.43 1k72 s ILE 460 N 1.60 1.07 -0.01 2.22 -4.36 -0.61 -4.66 121.20 116.45 1k72 s ILE 460 Ca -0.01 -2.00 0.02 0.00 -0.26 0.00 0.00 60.65 58.40 1k72 s ILE 460 Cb -0.13 -2.75 0.00 0.00 1.25 0.00 0.00 42.46 40.83 1k72 s ILE 460 CO -0.04 -0.01 -0.05 -0.51 0.24 0.00 0.00 174.94 174.57 1k72 s ILE 461 N -3.39 0.43 0.08 8.37 2.07 -1.26 -0.74 121.20 126.77 1k72 s ILE 461 Ca 0.37 -0.20 0.09 0.00 -1.41 0.00 0.00 60.65 59.49 1k72 s ILE 461 Cb 0.08 -0.38 -0.04 0.00 0.13 0.00 0.00 42.46 42.26 1k72 s ILE 461 CO 0.15 0.13 -0.21 -0.54 -1.91 0.00 0.00 174.94 172.56 1k72 s LYS 462 N 0.05 1.79 0.19 3.50 1.02 -0.12 -2.40 119.74 123.77 1k72 s LYS 462 Ca -0.00 -1.14 -0.15 0.00 0.02 0.00 0.00 55.97 54.70 1k72 s LYS 462 Cb -0.04 -2.07 0.01 0.00 -0.52 0.00 0.00 37.83 35.21 1k72 s LYS 462 CO -0.00 0.50 0.46 0.00 -0.92 0.00 0.00 175.35 175.38 1k72 s ALA 463 N -1.00 -0.63 0.13 5.17 0.00 0.74 -0.22 121.76 125.95 1k72 s ALA 463 Ca 0.15 -0.46 -0.24 0.00 0.00 0.00 0.00 51.96 51.40 1k72 s ALA 463 Cb -0.10 0.87 0.07 0.00 0.00 0.00 0.00 23.12 23.96 1k72 s ALA 463 CO 0.06 -0.77 0.71 0.20 0.00 0.00 0.00 175.76 175.96 1k72 s GLY 464 N -2.91 -0.50 -0.41 0.00 0.00 -0.40 -2.00 107.32 101.10 1k72 s GLY 464 Ca 0.12 0.51 -0.29 0.00 0.00 0.00 0.00 44.72 45.06 1k72 s GLY 464 CO -0.01 0.17 1.17 -2.27 0.00 0.00 0.00 173.10 172.16 1k72 s LEU 465 N -2.71 3.73 -0.17 0.66 2.96 0.34 -1.54 118.68 121.95 1k72 s LEU 465 Ca 0.04 0.74 -0.24 0.00 -0.22 0.00 0.00 54.13 54.45 1k72 s LEU 465 Cb -0.02 -3.55 -0.21 0.00 0.50 0.00 0.00 46.19 42.92 1k72 s LEU 465 CO -0.09 -1.16 0.46 -1.13 -1.32 0.00 0.00 176.35 173.11 1k72 h ASN 466 N 9.10 0.00 -4.30 3.68 -1.24 -0.99 -3.06 115.58 118.77 1k72 h ASN 466 Ca -0.23 -0.70 -0.17 0.00 0.71 0.00 0.00 56.30 55.90 1k72 h ASN 466 Cb 1.07 0.00 -0.24 0.00 0.73 0.00 0.00 38.32 39.88 1k72 h ASN 466 CO 1.09 1.18 -0.54 -0.55 -1.29 0.00 0.00 177.43 177.31 1k72 s SER 467 N -6.44 -0.06 0.10 1.15 0.15 -0.96 -4.76 113.70 102.88 1k72 s SER 467 Ca -0.22 0.05 -0.01 0.00 0.70 0.00 0.00 55.95 56.47 1k72 s SER 467 Cb 0.01 0.24 -0.04 0.00 -1.71 0.00 0.00 66.02 64.52 1k72 s SER 467 CO 0.60 -0.18 0.02 0.28 1.20 0.00 0.00 173.24 175.15 1k72 s THR 468 N -0.56 0.20 0.09 6.45 -1.32 -1.26 0.32 115.64 119.56 1k72 s THR 468 Ca -0.06 -1.88 -0.26 0.00 -1.21 0.00 0.00 61.69 58.28 1k72 s THR 468 Cb -0.04 -1.84 0.09 0.00 -1.51 0.00 0.00 72.50 69.20 1k72 s THR 468 CO 0.01 -0.68 1.12 -0.83 -2.21 0.00 0.00 174.62 172.02 1k72 s GLY 469 N -3.01 -0.15 0.59 6.08 0.00 -0.98 -4.98 107.32 104.88 1k72 s GLY 469 Ca 0.17 0.11 0.39 0.00 0.00 0.00 0.00 44.72 45.39 1k72 s GLY 469 CO -0.03 1.70 2.18 -0.56 0.00 0.00 0.00 173.10 176.39 1k72 h PRO 470 N 2.00 0.00 0.00 2.90 0.13 -1.95 -2.93 132.00 132.14 1k72 h PRO 470 Ca -0.27 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.86 1k72 h PRO 470 Cb 1.21 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.34 1k72 h PRO 470 CO 0.31 0.00 -0.15 0.27 -0.23 0.00 0.00 178.00 178.19 1k72 n ASN 471 N -2.98 1.59 -3.56 1.44 6.94 -1.26 -4.11 115.26 113.32 1k72 n ASN 471 Ca -0.02 -2.69 -0.08 0.00 -0.02 0.00 0.00 54.58 51.78 1k72 n ASN 471 Cb 0.14 -0.34 -0.02 0.00 -2.36 0.00 0.00 39.78 37.21 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 -1.89 -0.34 -0.04 -2.53 -0.85 -1.11 0.07 117.35 110.66 1k72 s TYR 472 Ca 0.21 0.13 0.01 0.00 -0.52 0.00 0.00 57.07 56.90 1k72 s TYR 472 Cb 0.18 0.58 0.02 0.00 0.38 0.00 0.00 41.96 43.11 1k72 s TYR 472 CO 0.02 -0.72 -0.06 0.99 -1.52 0.00 0.00 175.55 174.26 1k72 s THR 473 N -3.36 0.59 -0.13 -3.49 2.01 -0.95 -2.32 115.64 107.99 1k72 s THR 473 Ca 0.06 -0.19 0.02 0.00 0.31 0.00 0.00 61.69 61.88 1k72 s THR 473 Cb -0.01 -0.58 0.02 0.00 0.01 0.00 0.00 72.50 71.93 1k72 s THR 473 CO -0.07 0.22 -0.18 -0.70 -0.69 0.00 0.00 174.62 173.21 1k72 s GLU 474 N 0.64 2.55 -0.12 4.92 2.12 0.15 -1.87 118.70 127.09 1k72 s GLU 474 Ca -0.09 -0.68 -0.05 0.00 0.36 0.00 0.00 54.97 54.52 1k72 s GLU 474 Cb -0.12 -2.16 -0.04 0.00 0.26 0.00 0.00 34.13 32.07 1k72 s GLU 474 CO 0.00 -0.09 0.05 0.42 -0.54 0.00 0.00 175.26 175.10 1k72 s ILE 475 N 1.06 4.71 -0.29 -3.70 -1.09 0.64 -0.55 121.20 121.98 1k72 s ILE 475 Ca -0.03 -0.09 -0.08 0.00 -2.23 0.00 0.00 60.65 58.22 1k72 s ILE 475 Cb -0.15 -3.04 -0.01 0.00 -1.58 0.00 0.00 42.46 37.69 1k72 s ILE 475 CO -0.04 0.57 0.11 -0.75 -1.23 0.00 0.00 174.94 173.60 1k72 s LYS 476 N -0.56 3.39 0.03 2.79 2.20 -0.59 -1.18 119.74 125.82 1k72 s LYS 476 Ca 0.10 -0.67 0.07 0.00 -0.36 0.00 0.00 55.97 55.11 1k72 s LYS 476 Cb -0.12 -3.45 -0.02 0.00 -1.51 0.00 0.00 37.83 32.73 1k72 s LYS 476 CO 0.02 -0.35 -0.19 0.00 -0.36 0.00 0.00 175.35 174.47 1k72 s ALA 477 N 1.59 1.63 -0.09 3.13 0.00 0.13 -1.27 121.76 126.88 1k72 s ALA 477 Ca 0.05 -0.98 -0.01 0.00 0.00 0.00 0.00 51.96 51.02 1k72 s ALA 477 Cb -0.16 -0.33 0.03 0.00 0.00 0.00 0.00 23.12 22.66 1k72 s ALA 477 CO 0.05 0.37 -0.04 0.08 0.00 0.00 0.00 175.76 176.21 1k72 s VAL 478 N -0.75 0.73 -0.01 0.00 1.01 0.69 0.02 120.40 122.09 1k72 s VAL 478 Ca 0.07 -0.11 -0.17 0.00 0.00 0.00 0.00 61.98 61.77 1k72 s VAL 478 Cb -0.08 -0.81 -0.06 0.00 0.00 0.00 0.00 36.38 35.43 1k72 s VAL 478 CO 0.01 0.32 0.47 -0.69 0.00 0.00 0.00 175.10 175.21 1k72 s VAL 479 N 1.79 4.98 -0.08 2.92 1.01 -0.23 -0.94 120.40 129.86 1k72 s VAL 479 Ca 0.04 0.98 0.03 0.00 0.00 0.00 0.00 61.98 63.04 1k72 s VAL 479 Cb -0.12 -3.79 0.00 0.00 0.00 0.00 0.00 36.38 32.47 1k72 s VAL 479 CO -0.07 0.51 -0.18 -0.31 0.00 0.00 0.00 175.10 175.05 1k72 s TYR 480 N -0.65 1.97 -0.45 5.22 1.51 0.08 -1.51 117.35 123.53 1k72 s TYR 480 Ca 0.26 -0.74 -0.18 0.00 -1.01 0.00 0.00 57.07 55.39 1k72 s TYR 480 Cb -0.17 -1.36 0.03 0.00 -0.11 0.00 0.00 41.96 40.35 1k72 s TYR 480 CO 0.14 -0.32 0.53 1.21 -1.11 0.00 0.00 175.55 176.01 1k72 s ASN 481 N 0.41 6.23 -0.27 2.29 3.84 0.16 -1.57 114.94 126.03 1k72 s ASN 481 Ca -0.14 -0.68 0.08 0.00 0.21 0.00 0.00 52.86 52.34 1k72 s ASN 481 Cb -0.16 -2.26 0.46 0.00 -0.55 0.00 0.00 41.25 38.73 1k72 s ASN 481 CO 0.06 -0.71 1.19 0.00 -2.79 0.00 0.00 177.10 174.85 1k72 n GLN 482 N 5.88 3.18 -2.12 0.43 6.02 0.17 -4.38 117.38 126.56 1k72 n GLN 482 Ca -0.06 -3.98 -0.37 0.00 -0.01 0.00 0.00 57.00 52.57 1k72 n GLN 482 Cb 0.47 -2.13 0.01 0.00 1.02 0.00 0.00 30.24 29.61 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 -4.31 2.82 0.00 5.09 -4.23 -0.84 -4.49 115.64 109.68 1k72 s THR 483 Ca 0.48 0.60 0.00 0.00 -1.18 0.00 0.00 61.69 61.59 1k72 s THR 483 Cb 0.40 -3.30 0.00 0.00 1.34 0.00 0.00 72.50 70.94 1k72 s THR 483 CO 0.02 -0.02 0.00 0.61 -0.54 0.00 0.00 174.62 174.69 1k72 n GLY 484 N 0.51 1.00 2.42 3.99 0.00 -1.26 -4.27 105.19 107.58 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 1.90 -2.99 1.61 8.01 -1.26 -3.42 117.44 121.29 1k72 n TRP 485 Ca 0.00 -3.89 -0.18 0.00 -1.31 0.00 0.00 57.50 52.12 1k72 n TRP 485 Cb 0.02 -0.46 0.03 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 -2.33 2.64 0.38 -0.99 0.04 -1.21 -4.82 135.00 128.70 1k72 s PRO 486 Ca 0.41 -1.34 -0.27 0.00 0.04 0.00 0.00 61.00 59.83 1k72 s PRO 486 Cb 0.23 -2.70 -0.11 0.00 0.04 0.00 0.00 34.50 31.95 1k72 s PRO 486 CO -0.08 -0.49 1.41 0.00 0.04 0.00 0.00 177.00 177.88 1k72 n ALA 487 N -2.01 1.96 -3.47 8.56 0.00 -1.22 -4.89 120.51 119.44 1k72 n ALA 487 Ca 0.10 0.33 -0.11 0.00 0.00 0.00 0.00 53.44 53.76 1k72 n ALA 487 Cb 0.60 -2.36 -0.02 0.00 0.00 0.00 0.00 19.45 17.66 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 -2.10 1.04 0.15 0.00 1.70 -1.26 -4.76 118.95 113.72 1k72 s ARG 488 Ca 0.55 -0.32 -0.30 0.00 -0.47 0.00 0.00 55.73 55.19 1k72 s ARG 488 Cb -0.50 0.48 -0.07 0.00 -0.57 0.00 0.00 34.95 34.29 1k72 s ARG 488 CO 0.62 -0.44 1.06 0.08 -1.08 0.00 0.00 175.30 175.54 1k72 s VAL 489 N -3.19 4.08 -0.63 4.99 1.01 -1.26 -4.35 120.40 121.05 1k72 s VAL 489 Ca 0.02 1.76 -0.01 0.00 0.00 0.00 0.00 61.98 63.74 1k72 s VAL 489 Cb -0.01 -4.12 0.16 0.00 0.00 0.00 0.00 36.38 32.41 1k72 s VAL 489 CO -0.09 0.28 0.44 0.42 0.00 0.00 0.00 175.10 176.15 1k72 s THR 490 N -0.11 3.56 -1.34 3.92 -4.23 0.08 -4.92 115.64 112.60 1k72 s THR 490 Ca 0.49 -3.14 0.20 0.00 -1.18 0.00 0.00 61.69 58.06 1k72 s THR 490 Cb -0.27 -3.33 0.72 0.00 1.34 0.00 0.00 72.50 70.96 1k72 s THR 490 CO 0.33 -0.89 1.63 -0.90 -0.54 0.00 0.00 174.62 174.25 1k72 n ASP 491 N 3.28 4.65 -1.86 3.99 5.75 -1.25 -3.96 116.55 127.15 1k72 n ASP 491 Ca 0.09 -2.35 -0.03 0.00 -0.01 0.00 0.00 54.79 52.49 1k72 n ASP 491 Cb 0.37 -0.57 0.07 0.00 -1.03 0.00 0.00 41.12 39.95 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 1.28 1.65 -3.23 0.11 5.02 -1.26 -0.76 118.16 120.97 1k72 n LYS 492 Ca 0.26 -3.20 -0.36 0.00 -2.02 0.00 0.00 58.31 52.99 1k72 n LYS 492 Cb 0.84 -1.32 -0.06 0.00 -0.02 0.00 0.00 35.03 34.47 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 -2.83 4.71 0.15 -0.18 -1.09 -1.26 -0.15 121.20 120.55 1k72 s ILE 493 Ca 0.36 1.06 -0.14 0.00 -2.23 0.00 0.00 60.65 59.71 1k72 s ILE 493 Cb 0.37 -3.80 0.02 0.00 -1.58 0.00 0.00 42.46 37.47 1k72 s ILE 493 CO -0.06 0.23 0.39 -0.94 -1.23 0.00 0.00 174.94 173.32 1k72 s SER 494 N -1.68 -0.14 0.08 3.58 1.04 -0.60 -0.38 113.70 115.61 1k72 s SER 494 Ca 0.40 -0.54 -0.04 0.00 0.48 0.00 0.00 55.95 56.25 1k72 s SER 494 Cb -0.16 0.48 -0.02 0.00 0.10 0.00 0.00 66.02 66.42 1k72 s SER 494 CO 0.20 -0.91 0.08 0.72 0.98 0.00 0.00 173.24 174.31 1k72 s PHE 495 N -3.87 0.41 -0.03 5.02 -0.12 -0.25 -0.61 117.98 118.53 1k72 s PHE 495 Ca 0.09 -0.89 0.04 0.00 -0.05 0.00 0.00 56.93 56.12 1k72 s PHE 495 Cb 0.02 -0.25 -0.00 0.00 -0.63 0.00 0.00 43.02 42.15 1k72 s PHE 495 CO -0.06 -0.48 -0.15 0.15 -0.05 0.00 0.00 175.22 174.63 1k72 s LYS 496 N -3.92 1.51 -0.29 1.99 1.02 -0.74 -1.03 119.74 118.28 1k72 s LYS 496 Ca 0.09 -0.53 -0.03 0.00 0.02 0.00 0.00 55.97 55.52 1k72 s LYS 496 Cb 0.06 -1.35 0.03 0.00 -0.52 0.00 0.00 37.83 36.06 1k72 s LYS 496 CO -0.08 0.23 0.01 -0.47 -0.92 0.00 0.00 175.35 174.11 1k72 s TYR 497 N 0.02 3.17 -0.05 3.18 5.04 -0.70 -3.69 117.35 124.32 1k72 s TYR 497 Ca -0.02 -1.52 -0.15 0.00 -2.44 0.00 0.00 57.07 52.94 1k72 s TYR 497 Cb -0.10 -2.14 -0.05 0.00 0.35 0.00 0.00 41.96 40.02 1k72 s TYR 497 CO 0.01 -0.72 0.39 -0.06 -1.34 0.00 0.00 175.55 173.83 1k72 s PHE 498 N 1.35 3.64 0.08 4.97 0.40 -1.26 -1.50 117.98 125.65 1k72 s PHE 498 Ca -0.01 0.90 0.04 0.00 -0.60 0.00 0.00 56.93 57.26 1k72 s PHE 498 Cb -0.18 -2.33 -0.03 0.00 0.51 0.00 0.00 43.02 40.99 1k72 s PHE 498 CO -0.01 0.50 -0.12 -1.64 0.70 0.00 0.00 175.22 174.65 1k72 s MET 499 N -0.53 0.79 -0.40 0.44 -1.94 -0.16 -2.07 119.30 115.42 1k72 s MET 499 Ca 0.23 -0.98 -0.15 0.00 -1.71 0.00 0.00 55.69 53.08 1k72 s MET 499 Cb -0.16 -0.67 0.02 0.00 2.01 0.00 0.00 34.83 36.02 1k72 s MET 499 CO 0.11 0.14 0.29 0.34 -0.01 0.00 0.00 175.02 175.89 1k72 s ASP 500 N -1.91 6.09 -0.42 3.03 -1.08 -1.26 -1.27 116.67 119.86 1k72 s ASP 500 Ca -0.01 -0.84 0.05 0.00 -0.52 0.00 0.00 52.55 51.23 1k72 s ASP 500 Cb -0.08 -2.15 0.66 0.00 -1.46 0.00 0.00 42.92 39.89 1k72 s ASP 500 CO 0.02 -0.42 1.86 0.18 0.52 0.00 0.00 175.17 177.32 1k72 n LEU 501 N 5.15 6.38 -0.23 -1.34 4.77 0.14 -4.63 117.00 127.23 1k72 n LEU 501 Ca -0.11 -3.58 0.13 0.00 -0.03 0.00 0.00 56.01 52.42 1k72 n LEU 501 Cb 0.47 -0.81 0.42 0.00 -2.33 0.00 0.00 43.42 41.17 1k72 n LEU 501 CO 0.40 1.04 1.22 0.77 -1.33 0.00 0.00 177.39 179.49 1k72 h SER 502 N 1.23 0.57 0.61 -1.43 4.64 -1.90 0.40 113.55 117.66 1k72 h SER 502 Ca 0.54 0.03 -0.07 0.00 -0.47 0.00 0.00 61.79 61.83 1k72 h SER 502 Cb 2.67 -0.08 -0.01 0.00 -0.31 0.00 0.00 62.40 64.67 1k72 h SER 502 CO 0.98 0.30 -0.32 1.05 -0.87 0.00 0.00 176.83 177.97 1k72 h GLU 503 N 0.61 0.00 -0.06 4.77 9.09 -1.90 -1.03 114.58 126.06 1k72 h GLU 503 Ca 0.41 0.00 -0.15 0.00 0.05 0.00 0.00 59.36 59.67 1k72 h GLU 503 Cb 0.73 0.00 0.01 0.00 -1.65 0.00 0.00 28.75 27.84 1k72 h GLU 503 CO -0.17 0.32 -0.55 0.82 0.05 0.00 0.00 179.01 179.48 1k72 h ILE 504 N 0.00 1.39 -0.74 -1.06 1.08 -1.27 -2.64 117.51 114.27 1k72 h ILE 504 Ca -0.00 -1.94 0.01 0.00 -0.39 0.00 0.00 64.86 62.54 1k72 h ILE 504 Cb 0.72 2.37 -0.04 0.00 -3.07 0.00 0.00 36.82 36.80 1k72 h ILE 504 CO 0.04 0.57 0.49 0.58 -0.69 0.00 0.00 178.15 179.15 1k72 h VAL 505 N 0.02 1.18 0.00 1.67 2.07 -1.17 -1.36 116.25 118.67 1k72 h VAL 505 Ca -0.05 -0.34 -0.01 0.00 0.82 0.00 0.00 66.70 67.11 1k72 h VAL 505 Cb 1.22 0.10 -0.00 0.00 -1.52 0.00 0.00 31.29 31.09 1k72 h VAL 505 CO 0.11 0.18 -0.06 0.00 0.02 0.00 0.00 177.57 177.82 1k72 h ALA 506 N 1.28 1.28 -0.01 1.67 0.00 -1.17 -1.31 119.26 120.99 1k72 h ALA 506 Ca 0.27 -0.06 0.00 0.00 0.00 0.00 0.00 54.91 55.13 1k72 h ALA 506 Cb -0.11 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.67 1k72 h ALA 506 CO -0.06 0.08 -0.06 0.00 0.00 0.00 0.00 179.25 179.20 1k72 n ALA 507 N -2.25 2.71 -1.58 0.00 0.00 -0.56 -4.90 120.51 113.92 1k72 n ALA 507 Ca -0.02 -0.35 -0.05 0.00 0.00 0.00 0.00 53.44 53.02 1k72 n ALA 507 Cb 0.18 -1.27 -0.01 0.00 0.00 0.00 0.00 19.45 18.35 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 1.19 0.49 3.59 0.00 0.00 -0.49 -5.04 105.19 104.93 1k72 n GLY 508 Ca 0.18 -0.76 -0.33 0.00 0.00 0.00 0.00 46.02 45.11 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 -2.22 3.71 -0.16 -0.61 -1.09 -0.89 -5.05 121.20 114.90 1k72 s ILE 509 Ca 0.00 -0.59 -0.29 0.00 -2.23 0.00 0.00 60.65 57.53 1k72 s ILE 509 Cb 0.00 -2.56 -0.01 0.00 -1.58 0.00 0.00 42.46 38.31 1k72 s ILE 509 CO 0.00 0.51 1.25 -0.62 -1.23 0.00 0.00 174.94 174.85 1k72 s ASP 510 N -1.08 6.95 0.55 3.58 -1.08 -1.26 -4.00 116.67 120.33 1k72 s ASP 510 Ca 0.15 1.69 0.24 0.00 -0.52 0.00 0.00 52.55 54.10 1k72 s ASP 510 Cb -0.11 -2.54 1.45 0.00 -1.46 0.00 0.00 42.92 40.26 1k72 s ASP 510 CO 0.04 -0.75 2.08 -0.65 0.52 0.00 0.00 175.17 176.41 1k72 h PRO 511 N 8.15 0.00 0.00 4.34 0.11 -1.93 -0.39 132.00 142.29 1k72 h PRO 511 Ca -0.26 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.85 1k72 h PRO 511 Cb 1.10 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.21 1k72 h PRO 511 CO 0.97 0.00 0.00 1.28 -0.21 0.00 0.00 178.00 180.04 1k72 n LEU 512 N -4.23 0.01 -0.12 2.35 4.77 -1.26 -2.94 117.00 115.57 1k72 n LEU 512 Ca 0.03 0.50 0.12 0.00 -0.03 0.00 0.00 56.01 56.63 1k72 n LEU 512 Cb 0.36 -0.50 0.20 0.00 -2.33 0.00 0.00 43.42 41.14 1k72 n LEU 512 CO 0.33 -0.18 0.41 -1.54 -1.33 0.00 0.00 177.39 175.08 1k72 n SER 513 N -1.51 0.89 -4.71 -1.43 3.41 -0.15 -4.56 113.62 105.56 1k72 n SER 513 Ca 0.05 -0.69 -0.39 0.00 -0.26 0.00 0.00 58.87 57.58 1k72 n SER 513 Cb 0.22 0.37 0.04 0.00 -0.26 0.00 0.00 64.21 64.59 1k72 n SER 513 CO 0.00 0.00 0.00 0.18 -0.16 0.00 0.00 175.04 175.06 1k72 n LEU 514 N -1.10 4.98 -4.67 1.04 4.77 -1.15 -4.95 117.00 115.91 1k72 n LEU 514 Ca 0.08 0.94 -0.39 0.00 -0.03 0.00 0.00 56.01 56.60 1k72 n LEU 514 Cb 0.35 -1.52 -0.06 0.00 -2.33 0.00 0.00 43.42 39.86 1k72 n LEU 514 CO 0.33 -0.93 0.26 -0.69 -1.33 0.00 0.00 177.39 175.04 1k72 s VAL 515 N -1.33 5.10 0.09 4.08 1.01 -0.83 -4.57 120.40 123.94 1k72 s VAL 515 Ca 0.73 1.02 0.06 0.00 0.00 0.00 0.00 61.98 63.78 1k72 s VAL 515 Cb -0.43 -3.87 -0.04 0.00 0.00 0.00 0.00 36.38 32.05 1k72 s VAL 515 CO 0.49 0.19 -0.05 0.42 0.00 0.00 0.00 175.10 176.14 1k72 s THR 516 N 1.49 3.68 0.28 3.92 -4.23 -1.26 -0.78 115.64 118.75 1k72 s THR 516 Ca 0.26 -1.09 -0.20 0.00 -1.18 0.00 0.00 61.69 59.48 1k72 s THR 516 Cb -0.16 -2.72 0.02 0.00 1.34 0.00 0.00 72.50 70.98 1k72 s THR 516 CO 0.10 0.15 0.70 -0.94 -0.54 0.00 0.00 174.62 174.09 1k72 s SER 517 N -2.15 -0.24 -0.16 3.99 1.04 -0.54 -4.97 113.70 110.66 1k72 s SER 517 Ca 0.23 -0.66 -0.04 0.00 0.48 0.00 0.00 55.95 55.96 1k72 s SER 517 Cb -0.11 0.72 0.07 0.00 0.10 0.00 0.00 66.02 66.80 1k72 s SER 517 CO 0.15 -1.34 0.15 -0.55 0.98 0.00 0.00 173.24 172.64 1k72 s SER 518 N -2.93 1.63 0.23 7.02 0.15 -1.26 -0.23 113.70 118.31 1k72 s SER 518 Ca 0.12 -0.26 0.26 0.00 0.70 0.00 0.00 55.95 56.77 1k72 s SER 518 Cb -0.05 0.10 0.82 0.00 -1.71 0.00 0.00 66.02 65.18 1k72 s SER 518 CO 0.07 -0.32 1.76 -0.55 1.20 0.00 0.00 173.24 175.41 1k72 h ASN 519 N 8.37 0.00 -4.66 5.45 -0.00 -1.97 -3.47 115.58 119.30 1k72 h ASN 519 Ca -0.15 0.00 0.00 0.00 -0.00 0.00 0.00 56.30 56.15 1k72 h ASN 519 Cb 1.14 0.00 -0.20 0.00 -0.00 0.00 0.00 38.32 39.27 1k72 h ASN 519 CO 0.26 0.00 0.34 -0.47 -0.00 0.00 0.00 177.43 177.55 1k72 s TYR 520 N -3.15 -0.53 -0.29 4.14 5.04 -1.26 -5.06 117.35 116.25 1k72 s TYR 520 Ca 0.09 0.85 -0.19 0.00 -2.44 0.00 0.00 57.07 55.39 1k72 s TYR 520 Cb 0.11 0.44 0.14 0.00 0.35 0.00 0.00 41.96 43.01 1k72 s TYR 520 CO 0.57 -0.52 1.02 -1.54 -1.34 0.00 0.00 175.55 173.74 1k72 s SER 521 N -1.32 -0.46 0.22 4.32 1.04 -1.26 -0.71 113.70 115.53 1k72 s SER 521 Ca -0.06 0.77 -0.27 0.00 0.48 0.00 0.00 55.95 56.87 1k72 s SER 521 Cb -0.00 1.07 -0.09 0.00 0.10 0.00 0.00 66.02 67.10 1k72 s SER 521 CO 0.05 -0.12 0.87 -1.61 0.98 0.00 0.00 173.24 173.40 1k72 s GLU 522 N 0.99 4.67 0.00 4.02 2.02 0.31 -4.87 118.70 125.85 1k72 s GLU 522 Ca -0.05 1.30 0.00 0.00 0.02 0.00 0.00 54.97 56.24 1k72 s GLU 522 Cb -0.04 -3.18 0.00 0.00 0.10 0.00 0.00 34.13 31.01 1k72 s GLU 522 CO -0.13 0.50 0.00 0.41 0.02 0.00 0.00 175.26 176.06 1k72 n GLY 523 N 1.35 0.89 0.11 -1.39 0.00 -1.26 -4.47 105.19 100.41 1k72 n GLY 523 Ca -0.03 -1.40 -0.02 0.00 0.00 0.00 0.00 46.02 44.57 1k72 n GLY 523 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1k72 h LYS 524 N 0.00 0.00 -0.01 1.61 1.57 -2.00 -3.31 116.57 114.44 1k72 h LYS 524 Ca 0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 1k72 h LYS 524 Cb 0.00 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.31 1k72 h LYS 524 CO 0.00 0.74 -0.09 0.09 -0.57 0.00 0.00 179.45 179.63 1k72 n ASN 525 N -3.44 1.08 -4.66 0.86 3.02 -1.26 -4.93 115.26 105.93 1k72 n ASN 525 Ca 0.00 -1.15 -0.44 0.00 -0.03 0.00 0.00 54.58 52.96 1k72 n ASN 525 Cb 0.78 0.03 -0.03 0.00 -0.61 0.00 0.00 39.78 39.94 1k72 n ASN 525 CO 0.00 0.00 0.00 0.41 -2.62 0.00 0.00 177.26 175.05 1k72 n THR 526 N -0.32 0.71 -3.95 3.41 -1.04 -1.25 -4.69 114.28 107.15 1k72 n THR 526 Ca 0.17 -0.14 -0.28 0.00 -2.04 0.00 0.00 64.05 61.75 1k72 n THR 526 Cb 0.32 -2.21 -0.17 0.00 -1.82 0.00 0.00 70.33 66.45 1k72 n THR 526 CO 0.00 0.00 0.00 -0.75 -0.64 0.00 0.00 175.07 173.68 1k72 s LYS 527 N 4.44 1.84 -0.30 -2.82 2.47 -0.54 -4.99 119.74 119.85 1k72 s LYS 527 Ca 0.90 -0.45 -0.12 0.00 -1.56 0.00 0.00 55.97 54.75 1k72 s LYS 527 Cb -0.50 -1.90 -0.04 0.00 -1.46 0.00 0.00 37.83 33.93 1k72 s LYS 527 CO 0.44 -0.29 0.24 0.08 0.16 0.00 0.00 175.35 175.99 1k72 s VAL 528 N 1.59 5.27 0.98 4.02 1.01 -1.26 -0.98 120.40 131.03 1k72 s VAL 528 Ca 0.04 0.14 -0.14 0.00 0.00 0.00 0.00 61.98 62.01 1k72 s VAL 528 Cb -0.13 -3.62 0.18 0.00 0.00 0.00 0.00 36.38 32.81 1k72 s VAL 528 CO -0.09 0.15 1.17 -0.94 0.00 0.00 0.00 175.10 175.39 1k72 s SER 529 N 1.73 2.93 0.95 3.32 1.04 -0.41 -4.94 113.70 118.32 1k72 s SER 529 Ca 0.08 0.75 -0.12 0.00 0.48 0.00 0.00 55.95 57.14 1k72 s SER 529 Cb -0.16 -1.15 0.19 0.00 0.10 0.00 0.00 66.02 65.00 1k72 s SER 529 CO 0.11 -2.89 1.14 0.61 0.98 0.00 0.00 173.24 173.18 1k72 n GLY 530 N -2.31 -1.12 3.72 7.32 0.00 -1.26 -4.65 105.19 106.89 1k72 n GLY 530 Ca 0.10 -1.76 -0.42 0.00 0.00 0.00 0.00 46.02 43.94 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 -3.45 3.35 0.08 1.61 1.01 -1.26 -4.55 120.40 117.19 1k72 s VAL 531 Ca 0.66 0.99 0.09 0.00 0.00 0.00 0.00 61.98 63.73 1k72 s VAL 531 Cb -0.02 -3.64 -0.03 0.00 0.00 0.00 0.00 36.38 32.69 1k72 s VAL 531 CO 0.46 0.09 -0.25 -0.76 0.00 0.00 0.00 175.10 174.64 1k72 s LEU 532 N 0.86 2.24 0.40 3.92 1.43 0.24 -4.74 118.68 123.02 1k72 s LEU 532 Ca 0.62 -0.65 -0.25 0.00 -1.03 0.00 0.00 54.13 52.83 1k72 s LEU 532 Cb -0.36 -1.16 -0.09 0.00 0.03 0.00 0.00 46.19 44.61 1k72 s LEU 532 CO 0.32 0.19 1.10 -2.16 0.23 0.00 0.00 176.35 176.02 1k72 s PRO 533 N -1.59 4.12 0.09 1.29 0.04 -1.26 -0.18 135.00 137.50 1k72 s PRO 533 Ca 0.11 1.65 0.00 0.00 0.04 0.00 0.00 61.00 62.80 1k72 s PRO 533 Cb -0.10 -2.61 0.00 0.00 0.04 0.00 0.00 34.50 31.84 1k72 s PRO 533 CO 0.04 -0.21 0.00 1.87 0.04 0.00 0.00 177.00 178.74 1k72 n TRP 534 N 0.01 -0.42 -3.19 0.56 -0.00 -0.53 -4.78 117.44 109.09 1k72 n TRP 534 Ca 0.05 0.07 -0.20 0.00 -0.00 0.00 0.00 57.50 57.42 1k72 n TRP 534 Cb 0.48 0.16 -0.06 0.00 -0.00 0.00 0.00 31.31 31.89 1k72 n TRP 534 CO 0.00 0.00 0.00 -3.47 -0.00 0.00 0.00 177.69 174.22 1k72 n ASP 535 N -3.21 -1.24 0.32 5.87 2.03 -0.27 -5.01 116.55 115.04 1k72 n ASP 535 Ca 0.00 -2.58 0.20 0.00 0.52 0.00 0.00 54.79 52.93 1k72 n ASP 535 Cb 0.16 0.10 1.08 0.00 -0.72 0.00 0.00 41.12 41.74 1k72 n ASP 535 CO 0.00 0.00 0.00 -0.37 -1.92 0.00 0.00 177.20 174.91 1k72 h VAL 536 N 4.34 0.19 0.00 5.18 -1.51 -1.93 -0.97 116.25 121.56 1k72 h VAL 536 Ca 0.18 -0.06 -0.01 0.00 -1.23 0.00 0.00 66.70 65.57 1k72 h VAL 536 Cb 0.96 1.05 -0.00 0.00 -2.13 0.00 0.00 31.29 31.17 1k72 h VAL 536 CO 0.29 0.01 -0.06 0.77 -1.23 0.00 0.00 177.57 177.35 1k72 h SER 537 N 0.00 0.00 -0.09 4.19 4.64 -1.95 -0.71 113.55 119.63 1k72 h SER 537 Ca -0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1k72 h SER 537 Cb 0.05 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.14 1k72 h SER 537 CO 0.00 0.06 0.00 0.59 -0.87 0.00 0.00 176.83 176.61 1k72 n ASN 538 N -3.59 2.85 -2.50 4.97 3.02 -0.55 -4.98 115.26 114.47 1k72 n ASN 538 Ca -0.02 -3.04 -0.19 0.00 -0.03 0.00 0.00 54.58 51.31 1k72 n ASN 538 Cb 0.17 -0.46 -0.00 0.00 -0.61 0.00 0.00 39.78 38.88 1k72 n ASN 538 CO 0.00 0.00 0.00 0.59 -2.62 0.00 0.00 177.26 175.23 1k72 n ASN 539 N -1.10 -5.35 -4.65 6.41 3.02 -0.28 -4.82 115.26 108.50 1k72 n ASN 539 Ca 0.17 0.00 -0.39 0.00 -0.03 0.00 0.00 54.58 54.34 1k72 n ASN 539 Cb 0.71 -4.46 -0.08 0.00 -0.61 0.00 0.00 39.78 35.35 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 -2.94 5.16 0.36 2.41 1.01 -0.48 0.24 120.40 126.16 1k72 s VAL 540 Ca 0.04 0.76 0.04 0.00 0.00 0.00 0.00 61.98 62.82 1k72 s VAL 540 Cb -0.02 -3.76 -0.05 0.00 0.00 0.00 0.00 36.38 32.55 1k72 s VAL 540 CO 0.05 0.20 0.07 -0.31 0.00 0.00 0.00 175.10 175.11 1k72 s TYR 541 N 1.62 1.95 0.20 5.22 1.51 -0.39 -1.12 117.35 126.34 1k72 s TYR 541 Ca 0.20 -1.01 -0.17 0.00 -1.01 0.00 0.00 57.07 55.08 1k72 s TYR 541 Cb -0.15 -1.31 0.02 0.00 -0.11 0.00 0.00 41.96 40.41 1k72 s TYR 541 CO 0.09 -0.02 0.52 1.52 -1.11 0.00 0.00 175.55 176.54 1k72 s TYR 542 N -3.22 -0.05 -0.13 2.71 -0.85 0.75 -0.99 117.35 115.57 1k72 s TYR 542 Ca 0.32 -0.30 -0.01 0.00 -0.52 0.00 0.00 57.07 56.56 1k72 s TYR 542 Cb 0.07 0.37 -0.02 0.00 0.38 0.00 0.00 41.96 42.76 1k72 s TYR 542 CO 0.15 -0.93 -0.11 0.14 -1.52 0.00 0.00 175.55 173.27 1k72 s VAL 543 N -3.89 3.23 -0.24 -3.49 -7.23 -0.56 -0.59 120.40 107.62 1k72 s VAL 543 Ca 0.11 -0.60 -0.12 0.00 -1.81 0.00 0.00 61.98 59.56 1k72 s VAL 543 Cb -0.01 -2.37 -0.05 0.00 0.56 0.00 0.00 36.38 34.52 1k72 s VAL 543 CO -0.01 0.52 0.22 0.21 -0.31 0.00 0.00 175.10 175.73 1k72 s ASN 544 N 0.32 6.18 -0.30 4.85 2.47 -1.26 -1.73 114.94 125.46 1k72 s ASN 544 Ca -0.09 0.19 -0.04 0.00 0.42 0.00 0.00 52.86 53.34 1k72 s ASN 544 Cb -0.15 -2.14 0.04 0.00 -1.45 0.00 0.00 41.25 37.55 1k72 s ASN 544 CO 0.05 0.01 0.04 -0.69 -3.72 0.00 0.00 177.10 172.79 1k72 s VAL 545 N 1.22 3.36 -0.20 -5.21 1.01 -0.20 -1.29 120.40 119.09 1k72 s VAL 545 Ca 0.10 -1.16 -0.12 0.00 0.00 0.00 0.00 61.98 60.81 1k72 s VAL 545 Cb -0.14 -2.86 -0.05 0.00 0.00 0.00 0.00 36.38 33.33 1k72 s VAL 545 CO 0.06 -0.06 0.20 -0.62 0.00 0.00 0.00 175.10 174.68 1k72 s ASP 546 N 1.34 6.27 -0.05 3.32 3.68 -0.15 -1.10 116.67 129.99 1k72 s ASP 546 Ca -0.02 0.31 0.10 0.00 2.13 0.00 0.00 52.55 55.06 1k72 s ASP 546 Cb -0.19 -2.13 0.25 0.00 -1.45 0.00 0.00 42.92 39.40 1k72 s ASP 546 CO 0.00 0.11 1.19 0.18 0.13 0.00 0.00 175.17 176.78 1k72 n LEU 547 N 3.78 2.71 -4.71 -1.34 4.77 0.49 -1.46 117.00 121.25 1k72 n LEU 547 Ca -0.14 -2.37 -0.43 0.00 -0.03 0.00 0.00 56.01 53.04 1k72 n LEU 547 Cb 0.52 -0.25 -0.02 0.00 -2.33 0.00 0.00 43.42 41.35 1k72 n LEU 547 CO 0.38 0.64 1.04 0.41 -1.33 0.00 0.00 177.39 178.53 1k72 n THR 548 N -0.32 1.40 0.00 -5.08 -1.04 -1.17 -1.57 114.28 106.50 1k72 n THR 548 Ca 0.10 -0.35 0.00 0.00 -2.04 0.00 0.00 64.05 61.76 1k72 n THR 548 Cb 0.49 -1.66 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 1.56 3.33 3.71 3.41 0.00 0.06 -4.84 105.19 112.42 1k72 n GLY 549 Ca 0.08 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.68 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 -0.67 4.36 -1.45 1.61 0.41 -0.61 -4.92 118.70 117.43 1k72 s GLU 550 Ca 0.00 1.96 -0.11 0.00 -0.41 0.00 0.00 54.97 56.42 1k72 s GLU 550 Cb 0.00 -3.29 0.04 0.00 -1.78 0.00 0.00 34.13 29.11 1k72 s GLU 550 CO 0.00 -0.37 2.38 -1.71 -0.49 0.00 0.00 175.26 175.07 1k72 n ASN 551 N 3.96 6.01 -4.68 -0.19 4.05 -1.26 -3.92 115.26 119.22 1k72 n ASN 551 Ca 0.11 -2.86 -0.42 0.00 0.45 0.00 0.00 54.58 51.86 1k72 n ASN 551 Cb 0.44 -1.56 -0.04 0.00 1.23 0.00 0.00 39.78 39.86 1k72 n ASN 551 CO 0.00 0.00 0.00 -0.63 -3.05 0.00 0.00 177.26 173.58 1k72 s ILE 552 N 1.76 4.87 0.02 -1.44 1.01 -1.25 -4.94 121.20 121.22 1k72 s ILE 552 Ca 0.53 1.75 -0.09 0.00 0.00 0.00 0.00 60.65 62.84 1k72 s ILE 552 Cb 0.15 -4.19 0.01 0.00 0.01 0.00 0.00 42.46 38.44 1k72 s ILE 552 CO -0.06 0.05 0.19 -0.72 0.00 0.00 0.00 174.94 174.39 1k72 s TYR 553 N 1.94 0.02 -1.19 3.97 -0.85 -0.59 -0.74 117.35 119.90 1k72 s TYR 553 Ca 0.42 -0.14 -0.17 0.00 -0.52 0.00 0.00 57.07 56.66 1k72 s TYR 553 Cb -0.17 -0.02 -0.04 0.00 0.38 0.00 0.00 41.96 42.10 1k72 s TYR 553 CO 0.15 -0.37 2.14 -0.35 -1.52 0.00 0.00 175.55 175.60 1k72 n PRO 554 N 1.06 2.34 -1.68 -3.49 -0.04 -1.26 -2.34 135.00 129.59 1k72 n PRO 554 Ca -0.21 -2.26 -0.01 0.00 -0.04 0.00 0.00 63.50 60.98 1k72 n PRO 554 Cb 0.57 -3.10 0.01 0.00 -0.04 0.00 0.00 33.50 30.94 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 4.23 1.09 0.00 0.55 0.00 -1.08 -4.25 105.19 105.73 1k72 n GLY 555 Ca 0.52 -0.51 0.00 0.00 0.00 0.00 0.00 46.02 46.03 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 -0.10 2.91 0.33 -0.02 0.00 -0.99 -4.35 105.19 102.97 1k72 n GLY 556 Ca -0.08 -0.81 -0.07 0.00 0.00 0.00 0.00 46.02 45.06 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 1.13 0.19 1.61 4.20 -1.80 -2.10 115.11 118.34 1k72 h GLN 557 Ca 0.00 -0.27 -0.31 0.00 0.06 0.00 0.00 58.65 58.14 1k72 h GLN 557 Cb 0.00 -0.15 0.02 0.00 0.30 0.00 0.00 27.48 27.65 1k72 h GLN 557 CO 0.00 0.99 -1.45 0.77 -0.67 0.00 0.00 178.83 178.47 1k72 h SER 558 N 1.08 0.63 -0.88 1.46 0.02 -1.93 -3.37 113.55 110.56 1k72 h SER 558 Ca 0.22 -0.92 0.13 0.00 -0.84 0.00 0.00 61.79 60.38 1k72 h SER 558 Cb 0.36 -0.21 -0.07 0.00 0.14 0.00 0.00 62.40 62.63 1k72 h SER 558 CO 0.00 1.67 0.57 0.00 -1.14 0.00 0.00 176.83 177.93 1k72 h ALA 559 N 0.09 1.78 -0.01 3.77 0.00 -1.82 -2.73 119.26 120.35 1k72 h ALA 559 Ca -0.28 0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.64 1k72 h ALA 559 Cb 1.99 -0.15 0.00 0.00 0.00 0.00 0.00 17.79 19.64 1k72 h ALA 559 CO 0.19 -0.00 -0.05 0.00 0.00 0.00 0.00 179.25 179.38 1k72 s ARG 561 N -2.15 0.78 -0.14 0.00 1.70 -1.03 0.41 118.95 118.53 1k72 s ARG 561 Ca 0.37 -1.30 -0.04 0.00 -0.47 0.00 0.00 55.73 54.29 1k72 s ARG 561 Cb 0.21 -0.13 0.06 0.00 -0.57 0.00 0.00 34.95 34.53 1k72 s ARG 561 CO 0.39 -0.03 0.17 1.03 -1.08 0.00 0.00 175.30 175.78 1k72 s ARG 562 N -3.80 0.09 0.08 3.89 1.81 -0.57 -4.92 118.95 115.53 1k72 s ARG 562 Ca 0.10 0.34 -0.15 0.00 -1.72 0.00 0.00 55.73 54.31 1k72 s ARG 562 Cb 0.05 -0.84 -0.06 0.00 -0.45 0.00 0.00 34.95 33.65 1k72 s ARG 562 CO -0.06 -0.48 0.49 -2.00 -0.68 0.00 0.00 175.30 172.57 1k72 s GLU 563 N 2.28 3.97 -0.06 3.54 2.12 -1.26 -1.07 118.70 128.21 1k72 s GLU 563 Ca 0.04 0.46 -0.03 0.00 0.36 0.00 0.00 54.97 55.81 1k72 s GLU 563 Cb -0.14 -3.07 0.04 0.00 0.26 0.00 0.00 34.13 31.22 1k72 s GLU 563 CO -0.08 0.58 0.13 0.08 -0.54 0.00 0.00 175.26 175.42 1k72 s VAL 564 N -1.29 -0.14 -0.20 3.70 1.01 0.10 -0.53 120.40 123.05 1k72 s VAL 564 Ca 0.32 0.28 -0.06 0.00 0.00 0.00 0.00 61.98 62.52 1k72 s VAL 564 Cb -0.16 -0.23 -0.03 0.00 0.00 0.00 0.00 36.38 35.96 1k72 s VAL 564 CO 0.18 0.12 0.01 -1.10 0.00 0.00 0.00 175.10 174.30 1k72 s GLN 565 N 1.69 3.66 0.02 2.72 -0.21 0.11 -0.69 119.66 126.95 1k72 s GLN 565 Ca -0.03 -0.50 0.00 0.00 0.02 0.00 0.00 55.36 54.85 1k72 s GLN 565 Cb -0.12 -3.12 -0.02 0.00 1.00 0.00 0.00 33.01 30.75 1k72 s GLN 565 CO -0.05 0.02 -0.03 -0.59 -2.12 0.00 0.00 175.29 172.51 1k72 s PHE 566 N 1.01 0.28 0.04 0.91 -0.71 -0.32 -3.77 117.98 115.42 1k72 s PHE 566 Ca 0.02 -0.49 0.05 0.00 -1.04 0.00 0.00 56.93 55.48 1k72 s PHE 566 Cb -0.14 -0.20 -0.02 0.00 -1.21 0.00 0.00 43.02 41.45 1k72 s PHE 566 CO 0.02 -0.17 -0.15 0.50 -1.34 0.00 0.00 175.22 174.08 1k72 s ARG 567 N -1.36 0.97 -0.07 1.99 3.52 0.68 -0.26 118.95 124.42 1k72 s ARG 567 Ca -0.14 -0.80 0.04 0.00 -0.13 0.00 0.00 55.73 54.70 1k72 s ARG 567 Cb -0.09 -1.00 0.00 0.00 -1.56 0.00 0.00 34.95 32.30 1k72 s ARG 567 CO -0.01 0.24 -0.19 0.42 -0.81 0.00 0.00 175.30 174.95 1k72 s ILE 568 N -0.89 1.67 -0.01 4.11 1.09 -0.78 -1.47 121.20 124.92 1k72 s ILE 568 Ca 0.02 -0.81 -0.01 0.00 -1.10 0.00 0.00 60.65 58.75 1k72 s ILE 568 Cb -0.08 -1.45 0.00 0.00 -1.06 0.00 0.00 42.46 39.87 1k72 s ILE 568 CO 0.01 0.47 0.02 0.00 -0.10 0.00 0.00 174.94 175.34 1k72 s ALA 569 N 0.31 -0.04 0.80 9.38 0.00 0.04 -2.25 121.76 130.00 1k72 s ALA 569 Ca -0.13 0.03 -0.08 0.00 0.00 0.00 0.00 51.96 51.78 1k72 s ALA 569 Cb -0.16 -0.02 0.13 0.00 0.00 0.00 0.00 23.12 23.07 1k72 s ALA 569 CO 0.06 -0.01 1.12 0.00 0.00 0.00 0.00 175.76 176.92 1k72 s ALA 570 N -0.03 3.00 0.62 0.00 0.00 0.11 -1.97 121.76 123.48 1k72 s ALA 570 Ca -0.00 -1.25 -0.19 0.00 0.00 0.00 0.00 51.96 50.52 1k72 s ALA 570 Cb -0.00 -2.49 -0.02 0.00 0.00 0.00 0.00 23.12 20.60 1k72 s ALA 570 CO 0.00 -1.74 1.26 -2.14 0.00 0.00 0.00 175.76 173.14 1k72 s PRO 571 N -5.44 2.77 0.31 0.00 0.02 -1.26 -4.85 135.00 126.54 1k72 s PRO 571 Ca 0.67 1.98 -0.28 0.00 0.02 0.00 0.00 61.00 63.38 1k72 s PRO 571 Cb -0.07 -1.91 -0.13 0.00 0.02 0.00 0.00 34.50 32.41 1k72 s PRO 571 CO 0.47 -1.40 1.19 0.94 -0.33 0.00 0.00 177.00 177.87 1k72 n GLN 572 N -1.71 1.81 0.00 5.54 -0.06 -1.26 -2.11 117.38 119.59 1k72 n GLN 572 Ca 0.15 0.64 0.00 0.00 -2.00 0.00 0.00 57.00 55.78 1k72 n GLN 572 Cb 0.49 -2.14 0.00 0.00 -4.06 0.00 0.00 30.24 24.53 1k72 n GLN 572 CO 0.00 0.00 0.00 0.41 -0.20 0.00 0.00 177.06 177.27 1k72 n GLY 573 N 1.04 2.66 3.88 1.69 0.00 -1.26 -5.02 105.19 108.18 1k72 n GLY 573 Ca 0.07 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.79 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 -2.82 4.76 -0.03 2.61 -4.23 -0.90 -5.01 115.64 110.02 1k72 s THR 574 Ca 0.00 0.67 0.05 0.00 -1.18 0.00 0.00 61.69 61.23 1k72 s THR 574 Cb 0.00 -3.79 0.07 0.00 1.34 0.00 0.00 72.50 70.13 1k72 s THR 574 CO 0.00 -0.73 0.97 0.35 -0.54 0.00 0.00 174.62 174.66 1k72 n THR 575 N -1.82 0.53 0.38 3.99 -2.24 -1.26 -4.10 114.28 109.75 1k72 n THR 575 Ca 0.03 -0.62 0.11 0.00 -2.27 0.00 0.00 64.05 61.30 1k72 n THR 575 Cb 0.54 0.39 -0.02 0.00 -2.10 0.00 0.00 70.33 69.15 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 -0.39 0.37 -1.67 4.78 0.18 -1.26 -4.93 117.16 114.25 1k72 n TYR 576 Ca 0.04 0.11 -0.50 0.00 1.88 0.00 0.00 57.90 59.42 1k72 n TYR 576 Cb 0.63 -0.56 -0.05 0.00 -0.38 0.00 0.00 39.34 38.98 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 -2.16 2.08 -3.76 -3.48 -0.00 -1.26 -4.88 117.44 103.98 1k72 n TRP 577 Ca 0.01 0.32 -0.30 0.00 -0.00 0.00 0.00 57.50 57.53 1k72 n TRP 577 Cb 0.48 -2.52 -0.15 0.00 -0.00 0.00 0.00 31.31 29.13 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 2.34 4.06 0.33 5.87 2.47 -1.26 -4.88 114.94 123.86 1k72 s ASN 578 Ca 0.88 -1.82 0.26 0.00 0.42 0.00 0.00 52.86 52.61 1k72 s ASN 578 Cb -0.83 -0.96 0.98 0.00 -1.45 0.00 0.00 41.25 38.99 1k72 s ASN 578 CO 0.50 -0.39 1.78 1.55 -3.72 0.00 0.00 177.10 176.81 1k72 h PRO 579 N 7.87 0.00 0.00 0.43 0.13 -1.94 -3.27 132.00 135.22 1k72 h PRO 579 Ca -0.11 0.00 -0.00 0.00 -0.87 0.00 0.00 66.00 65.02 1k72 h PRO 579 Cb 1.00 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.13 1k72 h PRO 579 CO 0.48 0.00 -0.02 0.87 -0.23 0.00 0.00 178.00 179.10 1k72 h LYS 580 N 0.00 0.00 -0.74 0.86 1.57 -1.96 -1.16 116.57 115.14 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 0.53 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.84 1k72 h LYS 580 CO 0.00 0.02 0.00 0.27 -0.57 0.00 0.00 179.45 179.17 1k72 n ASN 581 N -3.19 3.99 -4.69 0.86 6.94 -1.23 -4.88 115.26 113.05 1k72 n ASN 581 Ca -0.01 -2.00 -0.40 0.00 -0.02 0.00 0.00 54.58 52.14 1k72 n ASN 581 Cb 0.19 -0.50 -0.05 0.00 -2.36 0.00 0.00 39.78 37.06 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 -1.00 6.88 0.19 0.53 1.01 -0.44 -4.02 116.67 119.82 1k72 s ASP 582 Ca 0.49 1.06 -0.12 0.00 0.71 0.00 0.00 52.55 54.69 1k72 s ASP 582 Cb 0.26 -2.40 0.22 0.00 1.01 0.00 0.00 42.92 42.01 1k72 s ASP 582 CO 0.34 -0.22 1.70 0.15 0.21 0.00 0.00 175.17 177.35 1k72 h PHE 583 N 7.09 0.11 0.00 4.23 3.57 -1.86 -1.90 116.94 128.17 1k72 h PHE 583 Ca -0.36 0.03 0.00 0.00 3.53 0.00 0.00 57.97 61.18 1k72 h PHE 583 Cb 1.17 0.03 0.00 0.00 2.79 0.00 0.00 35.95 39.94 1k72 h PHE 583 CO 0.68 -0.05 0.00 0.43 -2.23 0.00 0.00 178.31 177.14 1k72 n SER 584 N -5.16 0.00 -0.01 0.41 7.64 -0.88 -3.31 113.62 112.30 1k72 n SER 584 Ca 0.06 -0.43 -0.01 0.00 1.01 0.00 0.00 58.87 59.50 1k72 n SER 584 Cb 0.28 -0.14 -0.12 0.00 -1.01 0.00 0.00 64.21 63.21 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 -1.14 0.56 -1.67 1.43 9.36 -0.72 -4.69 117.16 120.29 1k72 n TYR 585 Ca 0.15 0.19 -0.43 0.00 3.32 0.00 0.00 57.90 61.13 1k72 n TYR 585 Cb 0.14 -0.98 -0.03 0.00 -0.63 0.00 0.00 39.34 37.84 1k72 n TYR 585 CO 0.00 0.00 0.00 -3.47 0.22 0.00 0.00 176.86 173.61 1k72 n ASP 586 N -2.76 4.03 0.00 2.98 4.64 -1.21 -2.03 116.55 122.21 1k72 n ASP 586 Ca -0.15 0.94 0.00 0.00 -1.38 0.00 0.00 54.79 54.19 1k72 n ASP 586 Cb 0.89 -1.51 0.00 0.00 -1.04 0.00 0.00 41.12 39.46 1k72 n ASP 586 CO 0.00 0.00 0.00 0.61 -0.82 0.00 0.00 177.20 176.99 1k72 n GLY 587 N 4.43 2.94 3.63 0.27 0.00 -1.26 -4.96 105.19 110.24 1k72 n GLY 587 Ca 0.20 0.00 -0.62 0.00 0.00 0.00 0.00 46.02 45.59 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 0.83 -4.63 0.99 7.94 -0.86 -4.81 117.00 116.45 1k72 n LEU 588 Ca 0.00 1.16 -0.47 0.00 -1.11 0.00 0.00 56.01 55.59 1k72 n LEU 588 Cb 0.00 -0.94 -0.04 0.00 0.53 0.00 0.00 43.42 42.97 1k72 n LEU 588 CO 0.00 -1.27 0.96 -2.65 -1.11 0.00 0.00 177.39 173.32 1k72 n PRO 589 N 2.96 1.67 0.00 1.96 -0.02 -1.26 -4.75 135.00 135.55 1k72 n PRO 589 Ca 0.25 0.60 0.05 0.00 -2.02 0.00 0.00 63.50 62.38 1k72 n PRO 589 Cb 0.03 -2.24 0.29 0.00 -0.02 0.00 0.00 33.50 31.57 1k72 n PRO 589 CO 0.00 0.00 0.00 0.25 1.98 0.00 0.00 175.50 177.73 1k72 n THR 590 N 2.25 0.27 -3.74 3.45 -2.24 -1.26 0.13 114.28 113.14 1k72 n THR 590 Ca 0.15 0.07 0.00 0.00 -2.27 0.00 0.00 64.05 62.00 1k72 n THR 590 Cb 0.27 -0.90 0.00 0.00 -2.10 0.00 0.00 70.33 67.59 1k72 n THR 590 CO 0.00 0.00 0.00 0.35 -0.57 0.00 0.00 175.07 174.85 1k72 n THR 591 N -1.10 0.00 1.50 4.28 -2.24 -1.21 -4.64 114.28 110.87 1k72 n THR 591 Ca 0.07 0.00 0.14 0.00 -2.27 0.00 0.00 64.05 61.99 1k72 n THR 591 Cb 0.05 0.00 0.59 0.00 -2.10 0.00 0.00 70.33 68.87 1k72 n THR 591 CO 0.00 0.00 0.00 -1.54 -0.57 0.00 0.00 175.07 172.96 1k72 n SER 592 N -2.04 0.87 -4.59 3.42 3.41 -1.16 -0.95 113.62 112.58 1k72 n SER 592 Ca 0.00 -1.03 -0.42 0.00 -0.26 0.00 0.00 58.87 57.16 1k72 n SER 592 Cb 0.00 0.00 -0.03 0.00 -0.26 0.00 0.00 64.21 63.93 1k72 n SER 592 CO 0.00 0.00 0.00 -0.89 -0.16 0.00 0.00 175.04 173.99 1k72 s THR 593 N -2.23 3.51 0.16 6.66 2.01 -1.26 -4.93 115.64 119.56 1k72 s THR 593 Ca 0.34 0.48 -0.12 0.00 0.31 0.00 0.00 61.69 62.71 1k72 s THR 593 Cb 0.21 -3.78 -0.07 0.00 0.01 0.00 0.00 72.50 68.87 1k72 s THR 593 CO 0.42 -0.56 0.53 0.68 -0.69 0.00 0.00 174.62 174.99 1k72 s VAL 594 N 7.16 4.92 0.17 3.82 -7.23 -1.26 -4.63 120.40 123.35 1k72 s VAL 594 Ca 0.75 0.65 0.03 0.00 -1.81 0.00 0.00 61.98 61.60 1k72 s VAL 594 Cb -0.19 -3.68 -0.05 0.00 0.56 0.00 0.00 36.38 33.02 1k72 s VAL 594 CO 0.31 0.14 -0.05 0.20 -0.31 0.00 0.00 175.10 175.40 1k72 s ASN 595 N -1.94 1.57 0.16 4.85 0.01 -0.85 -4.78 114.94 113.96 1k72 s ASN 595 Ca 0.40 -1.10 -0.32 0.00 -0.71 0.00 0.00 52.86 51.14 1k72 s ASN 595 Cb -0.14 0.04 -0.10 0.00 0.41 0.00 0.00 41.25 41.46 1k72 s ASN 595 CO 0.20 -0.45 1.65 -0.89 -1.51 0.00 0.00 177.10 176.10 1k72 s THR 596 N -3.47 2.47 0.15 1.60 2.01 -1.26 -0.18 115.64 116.96 1k72 s THR 596 Ca 0.21 0.27 0.11 0.00 0.31 0.00 0.00 61.69 62.59 1k72 s THR 596 Cb 0.04 -3.18 -0.04 0.00 0.01 0.00 0.00 72.50 69.34 1k72 s THR 596 CO 0.03 0.02 -0.24 0.68 -0.69 0.00 0.00 174.62 174.41 1k72 s VAL 597 N 1.50 2.19 -0.79 3.82 -7.23 -1.01 -4.88 120.40 114.00 1k72 s VAL 597 Ca 0.73 -1.84 0.08 0.00 -1.81 0.00 0.00 61.98 59.14 1k72 s VAL 597 Cb -0.45 -1.98 0.18 0.00 0.56 0.00 0.00 36.38 34.69 1k72 s VAL 597 CO 0.32 -0.04 1.06 0.35 -0.31 0.00 0.00 175.10 176.49 1k72 n THR 598 N 0.65 0.71 -0.47 5.32 -2.24 -1.26 -4.62 114.28 112.36 1k72 n THR 598 Ca -0.16 -0.85 0.05 0.00 -2.27 0.00 0.00 64.05 60.82 1k72 n THR 598 Cb 0.54 0.70 0.13 0.00 -2.10 0.00 0.00 70.33 69.60 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 0.32 2.72 -3.44 3.42 6.94 -1.26 -0.12 115.26 123.84 1k72 n ASN 599 Ca 0.08 -2.43 -0.27 0.00 -0.02 0.00 0.00 54.58 51.94 1k72 n ASN 599 Cb 0.33 -0.27 -0.08 0.00 -2.36 0.00 0.00 39.78 37.40 1k72 n ASN 599 CO 0.00 0.00 0.00 -0.38 -1.03 0.00 0.00 177.26 175.85 1k72 n ILE 600 N -0.40 1.42 -1.60 1.53 5.41 -1.26 -4.08 119.36 120.37 1k72 n ILE 600 Ca 0.11 -4.82 -0.43 0.00 1.00 0.00 0.00 62.75 58.61 1k72 n ILE 600 Cb 0.51 -2.06 -0.00 0.00 -0.71 0.00 0.00 39.64 37.38 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 1.23 1.41 -4.25 0.38 -0.04 -1.24 -4.67 135.00 127.82 1k72 n PRO 601 Ca 0.27 0.50 -0.35 0.00 -0.04 0.00 0.00 63.50 63.87 1k72 n PRO 601 Cb 0.43 -1.97 -0.09 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 -1.18 4.58 0.08 0.52 1.01 -0.17 -1.79 120.40 123.46 1k72 s VAL 602 Ca 0.60 -0.14 0.08 0.00 0.00 0.00 0.00 61.98 62.52 1k72 s VAL 602 Cb -0.62 -2.95 -0.03 0.00 0.00 0.00 0.00 36.38 32.78 1k72 s VAL 602 CO 0.59 0.60 -0.22 -0.31 0.00 0.00 0.00 175.10 175.76 1k72 s TYR 603 N -0.84 1.92 -0.29 5.22 1.51 0.22 -0.47 117.35 124.62 1k72 s TYR 603 Ca 0.13 -0.40 0.02 0.00 -1.01 0.00 0.00 57.07 55.81 1k72 s TYR 603 Cb -0.12 -1.09 0.08 0.00 -0.11 0.00 0.00 41.96 40.73 1k72 s TYR 603 CO 0.03 0.18 0.01 0.34 -1.11 0.00 0.00 175.55 174.99 1k72 s ASP 604 N -1.60 4.31 -1.28 2.29 -1.08 0.78 -1.56 116.67 118.53 1k72 s ASP 604 Ca 0.08 -1.67 -0.04 0.00 -0.52 0.00 0.00 52.55 50.40 1k72 s ASP 604 Cb -0.10 -1.33 0.01 0.00 -1.46 0.00 0.00 42.92 40.04 1k72 s ASP 604 CO 0.03 -0.32 1.08 -3.20 0.52 0.00 0.00 175.17 173.28 1k72 n ASN 605 N 4.52 -3.94 0.00 -0.34 5.15 0.79 -2.27 115.26 119.17 1k72 n ASN 605 Ca -0.04 -0.59 0.00 0.00 -0.60 0.00 0.00 54.58 53.35 1k72 n ASN 605 Cb 0.43 -5.06 0.00 0.00 -0.53 0.00 0.00 39.78 34.62 1k72 n ASN 605 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 1k72 n GLY 606 N -1.53 2.92 3.67 8.20 0.00 -1.26 -5.00 105.19 112.18 1k72 n GLY 606 Ca -0.16 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.48 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 -2.74 5.21 0.01 1.61 1.01 -0.96 -4.99 120.40 119.55 1k72 s VAL 607 Ca 0.00 0.66 -0.30 0.00 0.00 0.00 0.00 61.98 62.34 1k72 s VAL 607 Cb 0.00 -3.71 -0.07 0.00 0.00 0.00 0.00 36.38 32.61 1k72 s VAL 607 CO 0.00 0.26 1.58 -0.75 0.00 0.00 0.00 175.10 176.18 1k72 s LYS 608 N 1.31 4.22 -0.00 2.72 2.20 -1.26 -0.16 119.74 128.77 1k72 s LYS 608 Ca 0.18 2.18 0.03 0.00 -0.36 0.00 0.00 55.97 58.00 1k72 s LYS 608 Cb -0.15 -3.70 -0.04 0.00 -1.51 0.00 0.00 37.83 32.43 1k72 s LYS 608 CO 0.08 -0.72 0.09 1.33 -0.36 0.00 0.00 175.35 175.77 1k72 n VAL 609 N 4.92 0.00 -3.77 4.02 0.24 0.39 -4.93 118.33 119.20 1k72 n VAL 609 Ca 0.15 -0.24 -0.13 0.00 -2.04 0.00 0.00 64.34 62.09 1k72 n VAL 609 Cb 0.42 0.69 -0.11 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 -1.77 -0.30 0.00 6.34 5.36 -1.08 -4.93 117.98 121.60 1k72 s PHE 610 Ca -0.00 0.71 0.00 0.00 -0.96 0.00 0.00 56.93 56.68 1k72 s PHE 610 Cb 0.02 0.10 0.00 0.00 -0.34 0.00 0.00 43.02 42.80 1k72 s PHE 610 CO 0.12 -0.19 0.00 0.41 -1.46 0.00 0.00 175.22 174.10 1k72 n GLY 611 N 2.69 -2.57 3.32 13.12 0.00 -1.26 -0.99 105.19 119.49 1k72 n GLY 611 Ca -0.14 -1.65 -0.23 0.00 0.00 0.00 0.00 46.02 44.00 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 -2.19 2.69 0.32 1.61 0.01 0.83 -4.87 114.94 113.34 1k72 s ASN 612 Ca 0.00 -0.80 0.07 0.00 -0.71 0.00 0.00 52.86 51.42 1k72 s ASN 612 Cb 0.00 -0.16 -0.02 0.00 0.41 0.00 0.00 41.25 41.49 1k72 s ASN 612 CO 0.00 0.01 0.40 -1.61 -1.51 0.00 0.00 177.10 174.39 1k72 s GLU 613 N -2.47 3.03 0.00 -0.60 2.02 -1.26 -4.16 118.70 115.27 1k72 s GLU 613 Ca 0.13 -1.07 0.05 0.00 0.02 0.00 0.00 54.97 54.10 1k72 s GLU 613 Cb -0.07 -2.72 0.29 0.00 0.10 0.00 0.00 34.13 31.73 1k72 s GLU 613 CO 0.06 0.12 0.76 -2.30 0.02 0.00 0.00 175.26 173.92