#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2jcm s SER 4 N 0.00 5.24 0.41 3.42 1.04 -1.26 -5.00 113.70 117.55 2jcm s SER 4 Ca 0.00 -0.58 0.09 0.00 0.48 0.00 0.00 55.95 55.93 2jcm s SER 4 Cb 0.00 -0.79 0.87 0.00 0.10 0.00 0.00 66.02 66.20 2jcm s SER 4 CO 0.00 -0.51 2.00 4.11 0.98 0.00 0.00 173.24 179.82 2jcm h TRP 5 N 1.10 0.35 0.00 5.02 5.08 -1.90 -1.25 115.95 124.35 2jcm h TRP 5 Ca -0.43 -0.01 -0.07 0.00 1.08 0.00 0.00 58.89 59.46 2jcm h TRP 5 Cb 1.26 -0.11 -0.01 0.00 -3.00 0.00 0.00 29.16 27.30 2jcm h TRP 5 CO 0.51 0.31 -0.31 0.66 -1.28 0.00 0.00 178.44 178.33 2jcm h SER 6 N 0.36 0.00 0.02 0.11 4.64 -1.87 -1.61 113.55 115.20 2jcm h SER 6 Ca 0.09 0.00 -0.00 0.00 -0.47 0.00 0.00 61.79 61.41 2jcm h SER 6 Cb 0.14 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.23 2jcm h SER 6 CO -0.00 0.31 -0.01 0.44 -0.87 0.00 0.00 176.83 176.70 2jcm h ASP 7 N 0.00 -0.02 0.35 4.97 3.32 -1.55 0.45 116.42 123.94 2jcm h ASP 7 Ca -0.00 -0.27 -0.00 0.00 0.02 0.00 0.00 57.03 56.77 2jcm h ASP 7 Cb 0.95 0.01 -0.02 0.00 0.22 0.00 0.00 39.33 40.48 2jcm h ASP 7 CO 0.04 0.26 -0.35 0.03 -1.72 0.00 0.00 179.24 177.50 2jcm h ARG 8 N -0.31 -0.70 -0.35 3.56 2.47 -1.27 0.01 114.38 117.79 2jcm h ARG 8 Ca -0.00 0.05 0.06 0.00 -1.26 0.00 0.00 59.98 58.83 2jcm h ARG 8 Cb 0.29 0.16 -0.08 0.00 -1.65 0.00 0.00 29.97 28.69 2jcm h ARG 8 CO 0.00 -0.47 -0.46 -0.07 0.56 0.00 0.00 179.97 179.54 2jcm h LEU 9 N -0.72 -1.50 -1.67 3.04 3.38 -1.31 -2.16 115.31 114.36 2jcm h LEU 9 Ca -0.02 0.22 -0.02 0.00 0.09 0.00 0.00 57.88 58.15 2jcm h LEU 9 Cb 0.65 0.64 -0.01 0.00 0.09 0.00 0.00 40.66 42.03 2jcm h LEU 9 CO -0.06 -0.39 0.03 -0.61 0.09 0.00 0.00 178.44 177.50 2jcm h GLN 10 N -0.38 0.24 -0.40 1.13 5.75 -0.67 0.12 115.11 120.89 2jcm h GLN 10 Ca 0.11 -0.03 0.01 0.00 -0.15 0.00 0.00 58.65 58.59 2jcm h GLN 10 Cb 0.60 -0.05 -0.02 0.00 1.07 0.00 0.00 27.48 29.08 2jcm h GLN 10 CO -0.55 0.23 0.26 -0.91 -2.65 0.00 0.00 178.83 175.22 2jcm h ASN 11 N 0.24 0.45 -0.46 -0.69 4.21 -0.38 -2.11 115.58 116.84 2jcm h ASN 11 Ca 0.06 -0.01 -0.14 0.00 1.21 0.00 0.00 56.30 57.42 2jcm h ASN 11 Cb 0.11 -0.11 -0.01 0.00 -1.12 0.00 0.00 38.32 37.19 2jcm h ASN 11 CO -0.00 0.33 -0.24 0.00 -1.29 0.00 0.00 177.43 176.23 2jcm h ALA 12 N 1.15 0.68 -0.26 -0.83 0.00 -0.84 -3.00 119.26 116.17 2jcm h ALA 12 Ca 0.15 -0.40 0.04 0.00 0.00 0.00 0.00 54.91 54.70 2jcm h ALA 12 Cb -0.05 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 17.56 2jcm h ALA 12 CO -0.04 0.68 0.18 0.00 0.00 0.00 0.00 179.25 180.07 2jcm h ALA 13 N 0.87 2.04 0.00 0.00 0.00 -0.47 -2.72 119.26 118.97 2jcm h ALA 13 Ca 0.10 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.00 2jcm h ALA 13 Cb 0.82 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.57 2jcm h ALA 13 CO 0.07 -0.09 0.00 -0.25 0.00 0.00 0.00 179.25 178.98 2jcm n ASP 14 N -4.49 0.19 -4.74 0.00 8.00 -0.82 -4.13 116.55 110.56 2jcm n ASP 14 Ca 0.02 0.53 -0.40 0.00 0.71 0.00 0.00 54.79 55.65 2jcm n ASP 14 Cb 0.22 -0.57 -0.05 0.00 -0.02 0.00 0.00 41.12 40.69 2jcm n ASP 14 CO 0.00 0.00 0.00 -0.04 -0.39 0.00 0.00 177.20 176.77 2jcm s MET 15 N -3.04 4.46 0.77 -1.24 -1.94 -1.03 -5.05 119.30 112.23 2jcm s MET 15 Ca 0.11 1.00 -0.14 0.00 -1.71 0.00 0.00 55.69 54.96 2jcm s MET 15 Cb 0.15 -3.37 0.06 0.00 2.01 0.00 0.00 34.83 33.68 2jcm s MET 15 CO 0.47 0.26 1.18 -1.25 -0.01 0.00 0.00 175.02 175.68 2jcm s PRO 16 N 0.05 1.93 -0.14 2.03 0.04 -1.26 -4.81 135.00 132.85 2jcm s PRO 16 Ca 0.38 1.67 -0.24 0.00 0.04 0.00 0.00 61.00 62.84 2jcm s PRO 16 Cb -0.20 -1.82 -0.02 0.00 0.04 0.00 0.00 34.50 32.50 2jcm s PRO 16 CO 0.22 -1.97 0.76 0.00 0.04 0.00 0.00 177.00 176.05 2jcm s ALA 17 N -2.20 3.46 -0.65 8.56 0.00 -1.26 -5.02 121.76 124.66 2jcm s ALA 17 Ca 0.72 0.02 -0.15 0.00 0.00 0.00 0.00 51.96 52.54 2jcm s ALA 17 Cb -0.27 -3.11 0.16 0.00 0.00 0.00 0.00 23.12 19.90 2jcm s ALA 17 CO 0.48 -0.47 0.61 1.21 0.00 0.00 0.00 175.76 177.59 2jcm s ASN 18 N 1.06 6.40 0.00 0.00 3.84 -1.26 -4.94 114.94 120.05 2jcm s ASN 18 Ca 0.37 -2.11 0.16 0.00 0.21 0.00 0.00 52.86 51.49 2jcm s ASN 18 Cb -0.17 -2.21 0.80 0.00 -0.55 0.00 0.00 41.25 39.12 2jcm s ASN 18 CO 0.14 -0.77 1.54 0.23 -2.79 0.00 0.00 177.10 175.45 2jcm n MET 19 N 4.84 1.27 -1.67 0.43 2.81 -1.26 -4.23 117.12 119.32 2jcm n MET 19 Ca -0.03 -0.42 -0.46 0.00 -1.81 0.00 0.00 57.70 54.98 2jcm n MET 19 Cb 0.43 -1.28 -0.04 0.00 -0.71 0.00 0.00 33.22 31.61 2jcm n MET 19 CO 0.00 0.00 0.00 -3.47 1.51 0.00 0.00 175.97 174.01 2jcm n ASP 20 N -0.33 3.10 0.22 7.83 2.03 -1.26 -4.84 116.55 123.31 2jcm n ASP 20 Ca 0.13 1.08 0.06 0.00 0.52 0.00 0.00 54.79 56.57 2jcm n ASP 20 Cb 0.15 -1.42 0.51 0.00 -0.72 0.00 0.00 41.12 39.64 2jcm n ASP 20 CO 0.00 0.00 0.00 0.11 -1.92 0.00 0.00 177.20 175.39 2jcm h LYS 21 N 6.15 0.00 -0.02 -0.67 1.57 -2.00 -0.24 116.57 121.36 2jcm h LYS 21 Ca -0.45 0.00 -0.24 0.00 -1.87 0.00 0.00 60.65 58.09 2jcm h LYS 21 Cb 1.26 0.00 0.01 0.00 0.08 0.00 0.00 32.23 33.58 2jcm h LYS 21 CO 0.89 0.20 -0.95 0.45 -0.57 0.00 0.00 179.45 179.47 2jcm h HIS 22 N 0.00 0.83 -0.58 -1.35 3.86 -1.95 -2.65 115.15 113.31 2jcm h HIS 22 Ca -0.00 -0.44 -0.01 0.00 -1.16 0.00 0.00 60.37 58.77 2jcm h HIS 22 Cb 0.37 -0.10 -0.03 0.00 1.06 0.00 0.00 27.41 28.71 2jcm h HIS 22 CO 0.00 1.26 0.34 0.00 0.86 0.00 0.00 177.93 180.39 2jcm h ALA 23 N 0.60 0.74 0.17 2.45 0.00 -1.60 -2.42 119.26 119.19 2jcm h ALA 23 Ca -0.09 -0.08 0.01 0.00 0.00 0.00 0.00 54.91 54.74 2jcm h ALA 23 Cb 1.59 -0.23 -0.02 0.00 0.00 0.00 0.00 17.79 19.13 2jcm h ALA 23 CO 0.18 0.24 -0.19 -0.07 0.00 0.00 0.00 179.25 179.40 2jcm h LEU 24 N 0.78 -0.52 -0.87 0.00 3.38 -1.06 -1.66 115.31 115.36 2jcm h LEU 24 Ca 0.21 0.05 0.09 0.00 0.09 0.00 0.00 57.88 58.32 2jcm h LEU 24 Cb 0.01 0.18 -0.07 0.00 0.09 0.00 0.00 40.66 40.87 2jcm h LEU 24 CO -0.04 -0.28 0.52 0.50 0.09 0.00 0.00 178.44 179.23 2jcm h LYS 25 N -0.40 0.86 -0.25 1.13 3.64 -1.39 -2.36 116.57 117.80 2jcm h LYS 25 Ca 0.01 -0.05 -0.05 0.00 -1.27 0.00 0.00 60.65 59.29 2jcm h LYS 25 Cb 0.39 -0.19 -0.01 0.00 -0.41 0.00 0.00 32.23 32.01 2jcm h LYS 25 CO -0.06 0.57 -0.02 -0.22 -2.27 0.00 0.00 179.45 177.45 2jcm h LYS 26 N 0.89 0.46 -0.56 1.90 3.64 -1.30 -3.22 116.57 118.38 2jcm h LYS 26 Ca 0.41 -0.16 -0.03 0.00 -1.27 0.00 0.00 60.65 59.60 2jcm h LYS 26 Cb 0.33 -0.04 -0.02 0.00 -0.41 0.00 0.00 32.23 32.09 2jcm h LYS 26 CO -0.23 0.65 0.22 -0.92 -2.27 0.00 0.00 179.45 176.90 2jcm h TYR 27 N 0.22 0.86 -0.00 1.91 3.20 -0.79 -2.92 116.97 119.46 2jcm h TYR 27 Ca 0.07 -0.07 0.00 0.00 3.14 0.00 0.00 58.73 61.87 2jcm h TYR 27 Cb 0.45 -0.26 0.00 0.00 1.54 0.00 0.00 36.73 38.47 2jcm h TYR 27 CO 0.04 0.70 -0.14 2.89 -1.64 0.00 0.00 178.16 180.01 2jcm n ARG 28 N -4.49 0.32 0.20 1.82 1.85 -1.02 -2.57 116.66 112.77 2jcm n ARG 28 Ca 0.03 -0.09 0.10 0.00 -1.00 0.00 0.00 57.85 56.88 2jcm n ARG 28 Cb 0.16 -1.50 0.23 0.00 -1.05 0.00 0.00 32.46 30.31 2jcm n ARG 28 CO 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 177.63 177.62 2jcm h ARG 29 N 0.22 0.00 -6.67 2.89 2.47 -1.52 -3.34 114.38 108.44 2jcm h ARG 29 Ca 0.00 0.00 -0.52 0.00 -1.26 0.00 0.00 59.98 58.20 2jcm h ARG 29 Cb 0.42 0.00 0.03 0.00 -1.65 0.00 0.00 29.97 28.77 2jcm h ARG 29 CO 0.00 0.18 0.65 -1.21 0.56 0.00 0.00 179.97 180.15 2jcm s GLU 30 N -3.26 4.39 0.28 0.04 2.02 -1.06 -4.94 118.70 116.17 2jcm s GLU 30 Ca 0.04 2.04 0.01 0.00 0.02 0.00 0.00 54.97 57.09 2jcm s GLU 30 Cb 0.07 -3.20 0.56 0.00 0.10 0.00 0.00 34.13 31.65 2jcm s GLU 30 CO 0.67 -0.25 1.82 0.00 0.02 0.00 0.00 175.26 177.52 2jcm h ALA 31 N 5.46 1.49 0.00 5.21 0.00 -1.87 -1.14 119.26 128.41 2jcm h ALA 31 Ca -0.45 0.03 -0.01 0.00 0.00 0.00 0.00 54.91 54.48 2jcm h ALA 31 Cb 1.21 -0.18 -0.00 0.00 0.00 0.00 0.00 17.79 18.82 2jcm h ALA 31 CO 0.78 0.18 -0.07 1.88 0.00 0.00 0.00 179.25 182.01 2jcm h TYR 32 N 0.94 0.00 -0.10 0.00 0.05 -1.92 -2.51 116.97 113.43 2jcm h TYR 32 Ca 0.50 0.00 0.00 0.00 0.05 0.00 0.00 58.73 59.28 2jcm h TYR 32 Cb 0.52 0.00 0.00 0.00 1.01 0.00 0.00 36.73 38.26 2jcm h TYR 32 CO -0.01 0.07 0.00 0.72 -1.05 0.00 0.00 178.16 177.89 2jcm n HIS 33 N -3.46 0.13 -3.28 4.88 8.25 -0.46 -4.76 115.22 116.52 2jcm n HIS 33 Ca -0.02 -0.42 -0.35 0.00 -0.26 0.00 0.00 57.72 56.67 2jcm n HIS 33 Cb 0.20 -0.04 -0.06 0.00 1.12 0.00 0.00 29.99 31.22 2jcm n HIS 33 CO 0.00 0.00 0.00 0.50 0.64 0.00 0.00 176.34 177.48 2jcm s ARG 34 N -0.89 4.03 -0.17 -0.41 3.52 -0.95 -4.54 118.95 119.54 2jcm s ARG 34 Ca 0.07 0.58 -0.13 0.00 -0.13 0.00 0.00 55.73 56.12 2jcm s ARG 34 Cb 0.04 -2.84 -0.05 0.00 -1.56 0.00 0.00 34.95 30.54 2jcm s ARG 34 CO 0.05 0.41 0.28 0.08 -0.81 0.00 0.00 175.30 175.31 2jcm s VAL 35 N -1.56 5.31 0.06 7.11 1.01 -1.26 -4.60 120.40 126.45 2jcm s VAL 35 Ca 0.42 0.50 -0.00 0.00 0.00 0.00 0.00 61.98 62.90 2jcm s VAL 35 Cb -0.15 -3.62 -0.04 0.00 0.00 0.00 0.00 36.38 32.58 2jcm s VAL 35 CO 0.20 0.38 0.21 -0.36 0.00 0.00 0.00 175.10 175.53 2jcm s PHE 36 N 0.59 3.52 -0.11 5.22 0.08 0.80 -4.94 117.98 123.15 2jcm s PHE 36 Ca 0.15 0.27 0.02 0.00 0.12 0.00 0.00 56.93 57.50 2jcm s PHE 36 Cb -0.13 -1.78 0.01 0.00 -0.57 0.00 0.00 43.02 40.56 2jcm s PHE 36 CO 0.04 0.59 -0.16 0.08 -0.10 0.00 0.00 175.22 175.67 2jcm s VAL 37 N -1.50 1.52 -0.22 -0.44 1.01 -1.26 -1.20 120.40 118.31 2jcm s VAL 37 Ca 0.34 -0.66 0.08 0.00 0.00 0.00 0.00 61.98 61.74 2jcm s VAL 37 Cb -0.13 -1.38 -0.21 0.00 0.00 0.00 0.00 36.38 34.66 2jcm s VAL 37 CO 0.27 0.44 -0.04 0.59 0.00 0.00 0.00 175.10 176.36 2jcm n ASN 38 N 4.12 1.21 -4.04 3.32 3.02 0.07 -4.82 115.26 118.15 2jcm n ASN 38 Ca -0.19 -0.04 -0.16 0.00 -0.03 0.00 0.00 54.58 54.16 2jcm n ASN 38 Cb 0.51 0.10 -0.13 0.00 -0.61 0.00 0.00 39.78 39.65 2jcm n ASN 38 CO 0.00 0.00 0.00 -0.13 -2.62 0.00 0.00 177.26 174.51 2jcm s ARG 39 N -2.51 0.59 0.36 3.52 0.52 -1.14 -4.87 118.95 115.42 2jcm s ARG 39 Ca -0.24 -0.52 -0.28 0.00 -0.52 0.00 0.00 55.73 54.17 2jcm s ARG 39 Cb 0.08 -0.49 -0.11 0.00 0.52 0.00 0.00 34.95 34.94 2jcm s ARG 39 CO 0.71 0.12 1.45 -1.12 0.02 0.00 0.00 175.30 176.47 2jcm s SER 40 N -0.88 6.44 -0.09 0.23 0.01 -1.26 -4.69 113.70 113.47 2jcm s SER 40 Ca -0.02 2.97 -0.03 0.00 1.31 0.00 0.00 55.95 60.17 2jcm s SER 40 Cb -0.06 -2.66 0.05 0.00 0.21 0.00 0.00 66.02 63.55 2jcm s SER 40 CO 0.00 -0.80 0.12 -0.22 0.41 0.00 0.00 173.24 172.76 2jcm s LEU 41 N -2.00 0.04 -0.56 2.44 0.20 0.27 -4.97 118.68 114.10 2jcm s LEU 41 Ca 0.52 0.08 -0.24 0.00 0.69 0.00 0.00 54.13 55.18 2jcm s LEU 41 Cb -0.45 0.08 0.04 0.00 -0.43 0.00 0.00 46.19 45.44 2jcm s LEU 41 CO 0.61 -0.27 0.94 0.00 -0.29 0.00 0.00 176.35 177.34 2jcm s ALA 42 N 2.24 3.16 0.55 5.97 0.00 -1.26 -1.20 121.76 131.21 2jcm s ALA 42 Ca 0.04 -1.29 0.24 0.00 0.00 0.00 0.00 51.96 50.95 2jcm s ALA 42 Cb -0.13 -3.75 1.48 0.00 0.00 0.00 0.00 23.12 20.73 2jcm s ALA 42 CO -0.06 -2.42 2.09 0.52 0.00 0.00 0.00 175.76 175.89 2jcm h MET 43 N 9.33 0.00 0.00 0.00 0.00 -1.60 -1.56 114.93 121.10 2jcm h MET 43 Ca -0.26 0.00 -0.03 0.00 0.00 0.00 0.00 59.70 59.41 2jcm h MET 43 Cb 1.07 0.00 -0.00 0.00 0.00 0.00 0.00 31.60 32.67 2jcm h MET 43 CO 1.10 0.00 -0.13 1.49 0.00 0.00 0.00 176.91 179.37 2jcm h GLU 44 N 0.00 0.00 0.00 1.72 4.81 -1.71 -0.71 114.58 118.69 2jcm h GLU 44 Ca 0.11 0.00 -0.01 0.00 -0.13 0.00 0.00 59.36 59.33 2jcm h GLU 44 Cb 0.51 0.00 -0.00 0.00 0.63 0.00 0.00 28.75 29.89 2jcm h GLU 44 CO -0.00 0.13 -0.05 0.87 -0.73 0.00 0.00 179.01 179.23 2jcm h LYS 45 N 0.00 0.00 -6.23 1.92 1.57 -1.61 -3.44 116.57 108.77 2jcm h LYS 45 Ca -0.00 0.00 -0.56 0.00 -1.87 0.00 0.00 60.65 58.22 2jcm h LYS 45 Cb 0.27 0.00 -0.03 0.00 0.08 0.00 0.00 32.23 32.54 2jcm h LYS 45 CO 0.02 0.05 0.74 0.42 -0.57 0.00 0.00 179.45 180.11 2jcm s ILE 46 N -3.63 4.41 -0.17 1.86 -1.09 -0.27 -4.61 121.20 117.70 2jcm s ILE 46 Ca 0.01 1.71 0.16 0.00 -2.23 0.00 0.00 60.65 60.31 2jcm s ILE 46 Cb 0.09 -4.10 -0.22 0.00 -1.58 0.00 0.00 42.46 36.64 2jcm s ILE 46 CO 0.57 -0.06 0.08 0.29 -1.23 0.00 0.00 174.94 174.60 2jcm n LYS 47 N 5.66 1.06 -4.78 2.79 4.76 0.91 -4.87 118.16 123.68 2jcm n LYS 47 Ca 0.11 -0.02 -0.27 0.00 -2.87 0.00 0.00 58.31 55.27 2jcm n LYS 47 Cb 0.46 -1.46 -0.17 0.00 -1.84 0.00 0.00 35.03 32.03 2jcm n LYS 47 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 2jcm s PHE 49 N 0.43 3.09 0.01 0.00 0.08 0.28 -0.85 117.98 121.02 2jcm s PHE 49 Ca -0.13 -0.39 0.06 0.00 0.12 0.00 0.00 56.93 56.59 2jcm s PHE 49 Cb -0.15 -2.19 -0.03 0.00 -0.57 0.00 0.00 43.02 40.08 2jcm s PHE 49 CO 0.04 -0.28 -0.16 0.20 -0.10 0.00 0.00 175.22 174.92 2jcm s GLY 50 N 1.35 1.57 0.00 4.36 0.00 0.18 -1.18 107.32 113.60 2jcm s GLY 50 Ca 0.05 -1.12 0.00 0.00 0.00 0.00 0.00 44.72 43.65 2jcm s GLY 50 CO 0.03 -0.98 0.00 0.69 0.00 0.00 0.00 173.10 172.84 2jcm n PHE 51 N 1.77 0.00 0.10 1.90 3.72 0.01 -0.94 117.46 124.02 2jcm n PHE 51 Ca -0.16 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.24 2jcm n PHE 51 Cb 0.52 0.00 0.00 0.00 -0.94 0.00 0.00 39.48 39.06 2jcm n PHE 51 CO 0.00 0.00 0.00 -0.12 -0.05 0.00 0.00 176.76 176.59 2jcm n MET 53 N 0.00 0.00 -2.24 -1.08 1.56 -1.26 -1.05 117.12 113.05 2jcm n MET 53 Ca 0.00 0.00 -0.42 0.00 -0.27 0.00 0.00 57.70 57.01 2jcm n MET 53 Cb 0.00 -0.08 -0.03 0.00 2.15 0.00 0.00 33.22 35.27 2jcm n MET 53 CO 0.00 0.00 0.00 -0.51 -0.73 0.00 0.00 175.97 174.73 2jcm s ASP 54 N -4.96 6.88 -1.53 6.12 1.01 -1.26 -1.31 116.67 121.61 2jcm s ASP 54 Ca 0.00 2.14 0.00 0.00 0.71 0.00 0.00 52.55 55.40 2jcm s ASP 54 Cb 0.00 -2.57 0.00 0.00 1.01 0.00 0.00 42.92 41.36 2jcm s ASP 54 CO 0.00 -0.67 0.00 -1.22 0.21 0.00 0.00 175.17 173.49 2jcm n TYR 55 N 4.84 0.00 0.00 4.23 4.01 0.13 -4.76 117.16 125.61 2jcm n TYR 55 Ca 0.12 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.86 2jcm n TYR 55 Cb 0.44 -2.80 0.00 0.00 -0.31 0.00 0.00 39.34 36.67 2jcm n TYR 55 CO 0.00 0.00 0.00 2.41 -0.46 0.00 0.00 176.86 178.81 2jcm n THR 56 N -2.41 0.00 0.13 -0.72 -1.04 -0.90 -4.51 114.28 104.82 2jcm n THR 56 Ca -0.14 0.00 -0.21 0.00 -2.04 0.00 0.00 64.05 61.65 2jcm n THR 56 Cb 0.56 -0.63 -0.15 0.00 -1.82 0.00 0.00 70.33 68.28 2jcm n THR 56 CO 0.00 0.00 0.00 -0.07 -0.64 0.00 0.00 175.07 174.36 2jcm h LEU 57 N 0.00 0.67 -7.81 -4.42 3.38 -1.50 -3.40 115.31 102.22 2jcm h LEU 57 Ca 0.00 -0.72 -0.74 0.00 0.09 0.00 0.00 57.88 56.51 2jcm h LEU 57 Cb 0.00 -0.22 -0.30 0.00 0.09 0.00 0.00 40.66 40.23 2jcm h LEU 57 CO 0.00 1.57 -0.23 0.00 0.09 0.00 0.00 178.44 179.86 2jcm s ALA 58 N -2.62 3.66 -0.24 1.53 0.00 -0.61 -4.97 121.76 118.51 2jcm s ALA 58 Ca -0.07 -2.98 -0.15 0.00 0.00 0.00 0.00 51.96 48.76 2jcm s ALA 58 Cb 0.05 -3.00 -0.04 0.00 0.00 0.00 0.00 23.12 20.13 2jcm s ALA 58 CO 0.92 -2.08 0.35 0.08 0.00 0.00 0.00 175.76 175.03 2jcm s VAL 59 N 0.60 5.21 -0.09 0.00 1.01 -1.26 0.19 120.40 126.07 2jcm s VAL 59 Ca 0.12 0.56 -0.25 0.00 0.00 0.00 0.00 61.98 62.41 2jcm s VAL 59 Cb -0.20 -3.68 -0.03 0.00 0.00 0.00 0.00 36.38 32.47 2jcm s VAL 59 CO -0.04 0.22 0.77 -0.31 0.00 0.00 0.00 175.10 175.75 2jcm s TYR 60 N 1.61 3.54 0.15 5.22 2.02 -1.26 -0.94 117.35 127.70 2jcm s TYR 60 Ca 0.15 1.31 -0.34 0.00 -0.37 0.00 0.00 57.07 57.82 2jcm s TYR 60 Cb -0.15 -2.90 -0.15 0.00 -0.40 0.00 0.00 41.96 38.36 2jcm s TYR 60 CO 0.08 -0.02 1.47 1.63 -1.57 0.00 0.00 175.55 177.15 2jcm n LYS 61 N 4.19 1.84 -4.25 -0.62 5.02 -0.29 -4.86 118.16 119.19 2jcm n LYS 61 Ca 0.01 0.66 -0.31 0.00 -2.02 0.00 0.00 58.31 56.65 2jcm n LYS 61 Cb 0.51 -2.37 -0.09 0.00 -0.02 0.00 0.00 35.03 33.06 2jcm n LYS 61 CO 0.00 0.00 0.00 0.45 -0.52 0.00 0.00 177.40 177.33 2jcm s SER 62 N 0.66 4.91 0.00 4.39 0.15 -1.26 -0.58 113.70 121.98 2jcm s SER 62 Ca 0.78 -0.14 0.28 0.00 0.70 0.00 0.00 55.95 57.58 2jcm s SER 62 Cb -0.75 -1.18 1.58 0.00 -1.71 0.00 0.00 66.02 63.96 2jcm s SER 62 CO 0.42 0.23 2.03 -0.81 1.20 0.00 0.00 173.24 176.31 2jcm n PRO 63 N 1.03 1.13 -0.21 5.44 -0.04 -1.26 -4.71 135.00 136.38 2jcm n PRO 63 Ca -0.13 -0.19 -0.08 0.00 -0.04 0.00 0.00 63.50 63.05 2jcm n PRO 63 Cb 0.52 -1.45 -0.04 0.00 -0.04 0.00 0.00 33.50 32.49 2jcm n PRO 63 CO 0.00 0.00 0.00 0.93 -0.04 0.00 0.00 175.50 176.39 2jcm h GLU 64 N 0.45 -0.21 -0.03 0.54 3.07 -1.90 0.40 114.58 116.89 2jcm h GLU 64 Ca 0.00 0.01 -0.00 0.00 -0.50 0.00 0.00 59.36 58.87 2jcm h GLU 64 Cb 0.10 0.05 -0.00 0.00 -0.84 0.00 0.00 28.75 28.05 2jcm h GLU 64 CO 0.00 -0.14 0.01 -0.92 -1.40 0.00 0.00 179.01 176.56 2jcm h TYR 65 N -0.22 0.06 -0.79 4.33 3.20 -1.16 -0.77 116.97 121.62 2jcm h TYR 65 Ca 0.18 -0.01 0.09 0.00 3.14 0.00 0.00 58.73 62.14 2jcm h TYR 65 Cb 0.56 -0.02 -0.07 0.00 1.54 0.00 0.00 36.73 38.74 2jcm h TYR 65 CO -0.72 0.25 0.44 0.93 -1.64 0.00 0.00 178.16 177.42 2jcm h GLU 66 N -0.16 0.72 -0.64 1.82 3.07 -1.69 -0.83 114.58 116.88 2jcm h GLU 66 Ca 0.01 -0.04 -0.03 0.00 -0.50 0.00 0.00 59.36 58.79 2jcm h GLU 66 Cb 0.23 -0.16 -0.03 0.00 -0.84 0.00 0.00 28.75 27.94 2jcm h GLU 66 CO -0.00 0.48 0.26 1.03 -1.40 0.00 0.00 179.01 179.38 2jcm h SER 67 N 0.74 0.88 0.45 1.42 0.87 -0.65 -0.41 113.55 116.84 2jcm h SER 67 Ca 0.38 -0.17 -0.02 0.00 -1.23 0.00 0.00 61.79 60.76 2jcm h SER 67 Cb 0.36 -0.23 -0.01 0.00 -0.44 0.00 0.00 62.40 62.09 2jcm h SER 67 CO -0.25 0.80 -0.28 0.25 -0.53 0.00 0.00 176.83 176.82 2jcm h LEU 68 N 0.90 -0.71 -0.62 2.23 5.85 -0.47 -1.24 115.31 121.25 2jcm h LEU 68 Ca 0.21 0.04 0.12 0.00 0.84 0.00 0.00 57.88 59.10 2jcm h LEU 68 Cb 0.19 0.21 -0.09 0.00 0.37 0.00 0.00 40.66 41.34 2jcm h LEU 68 CO -0.02 -0.44 0.10 1.23 -0.34 0.00 0.00 178.44 178.97 2jcm h GLY 69 N -0.70 0.77 0.82 3.75 0.00 -0.99 -0.93 103.07 105.78 2jcm h GLY 69 Ca -0.05 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.29 2jcm h GLY 69 CO 0.05 -0.15 -0.15 -2.75 0.00 0.00 0.00 176.54 173.53 2jcm h PHE 70 N 0.22 -0.40 -0.36 5.60 3.57 -1.04 0.24 116.94 124.77 2jcm h PHE 70 Ca 0.33 0.00 0.07 0.00 3.53 0.00 0.00 57.97 61.90 2jcm h PHE 70 Cb 0.51 0.16 -0.06 0.00 2.79 0.00 0.00 35.95 39.35 2jcm h PHE 70 CO -0.28 -0.24 -0.02 1.49 -2.23 0.00 0.00 178.31 177.03 2jcm h GLU 71 N -0.34 0.07 -0.08 1.11 4.81 -0.88 0.54 114.58 119.80 2jcm h GLU 71 Ca 0.00 -0.00 -0.15 0.00 -0.13 0.00 0.00 59.36 59.08 2jcm h GLU 71 Cb 0.32 -0.02 -0.01 0.00 0.63 0.00 0.00 28.75 29.68 2jcm h GLU 71 CO -0.04 0.05 -0.61 -0.07 -0.73 0.00 0.00 179.01 177.61 2jcm h LEU 72 N 0.07 0.33 -0.41 1.64 3.38 -1.09 -2.16 115.31 117.07 2jcm h LEU 72 Ca 0.17 -0.19 0.01 0.00 0.09 0.00 0.00 57.88 57.96 2jcm h LEU 72 Cb 0.25 -0.10 -0.02 0.00 0.09 0.00 0.00 40.66 40.88 2jcm h LEU 72 CO -0.31 0.86 0.26 0.74 0.09 0.00 0.00 178.44 180.08 2jcm h THR 73 N 0.22 1.07 -0.61 0.22 2.02 -0.73 -1.53 112.91 113.57 2jcm h THR 73 Ca -0.01 -0.18 -0.03 0.00 0.77 0.00 0.00 66.41 66.96 2jcm h THR 73 Cb 1.12 0.50 -0.03 0.00 -1.74 0.00 0.00 68.15 68.01 2jcm h THR 73 CO 0.10 0.09 0.25 0.58 0.37 0.00 0.00 175.52 176.91 2jcm h VAL 74 N 0.52 1.23 -0.60 3.16 2.07 -0.79 -1.43 116.25 120.41 2jcm h VAL 74 Ca 0.16 -0.71 -0.07 0.00 0.82 0.00 0.00 66.70 66.90 2jcm h VAL 74 Cb -0.02 0.55 -0.02 0.00 -1.52 0.00 0.00 31.29 30.28 2jcm h VAL 74 CO -0.06 0.28 0.12 -0.33 0.02 0.00 0.00 177.57 177.60 2jcm h GLU 75 N 0.85 0.99 -0.16 1.57 5.08 -1.30 -0.12 114.58 121.49 2jcm h GLU 75 Ca 0.20 -0.26 0.05 0.00 -1.00 0.00 0.00 59.36 58.36 2jcm h GLU 75 Cb 0.20 -0.12 -0.05 0.00 0.50 0.00 0.00 28.75 29.28 2jcm h GLU 75 CO -0.02 0.92 -0.16 -0.09 -1.00 0.00 0.00 179.01 178.66 2jcm h ARG 76 N 0.90 -0.18 -0.34 2.33 9.65 -0.95 0.70 114.38 126.48 2jcm h ARG 76 Ca 0.19 0.01 0.02 0.00 -1.10 0.00 0.00 59.98 59.10 2jcm h ARG 76 Cb 0.40 0.04 -0.02 0.00 -1.39 0.00 0.00 29.97 29.00 2jcm h ARG 76 CO 0.01 -0.12 0.19 -0.07 2.80 0.00 0.00 179.97 182.78 2jcm h LEU 77 N -0.19 0.30 -0.76 3.80 3.38 -0.76 -1.72 115.31 119.36 2jcm h LEU 77 Ca 0.11 0.01 0.02 0.00 0.09 0.00 0.00 57.88 58.10 2jcm h LEU 77 Cb 0.34 -0.05 -0.04 0.00 0.09 0.00 0.00 40.66 41.00 2jcm h LEU 77 CO -0.27 0.22 0.50 0.58 0.09 0.00 0.00 178.44 179.56 2jcm h VAL 78 N 0.39 1.17 -0.90 1.22 2.07 -0.86 -1.94 116.25 117.40 2jcm h VAL 78 Ca 0.14 -0.34 0.20 0.00 0.82 0.00 0.00 66.70 67.51 2jcm h VAL 78 Cb 0.02 0.08 -0.07 0.00 -1.52 0.00 0.00 31.29 29.80 2jcm h VAL 78 CO -0.07 0.18 0.59 -1.28 0.02 0.00 0.00 177.57 177.01 2jcm h SER 79 N 1.00 0.42 -0.13 0.57 0.87 -0.18 -0.04 113.55 116.08 2jcm h SER 79 Ca 0.29 0.04 0.00 0.00 -1.23 0.00 0.00 61.79 60.89 2jcm h SER 79 Cb -0.07 -0.04 0.00 0.00 -0.44 0.00 0.00 62.40 61.85 2jcm h SER 79 CO -0.08 0.17 0.00 2.30 -0.53 0.00 0.00 176.83 178.69 2jcm n ILE 80 N -4.52 0.15 0.00 2.23 -5.35 -0.71 -4.94 119.36 106.22 2jcm n ILE 80 Ca 0.19 -0.39 0.00 0.00 -0.27 0.00 0.00 62.75 62.28 2jcm n ILE 80 Cb 0.68 0.67 0.00 0.00 -1.74 0.00 0.00 39.64 39.25 2jcm n ILE 80 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 2jcm n GLY 81 N 1.23 1.13 3.75 3.28 0.00 -0.03 -5.09 105.19 109.46 2jcm n GLY 81 Ca 0.17 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.84 2jcm n GLY 81 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 2jcm s TYR 82 N -2.00 2.36 0.50 1.61 1.51 -0.79 -4.97 117.35 115.58 2jcm s TYR 82 Ca 0.00 1.55 -0.21 0.00 -1.01 0.00 0.00 57.07 57.40 2jcm s TYR 82 Cb 0.00 -3.40 -0.07 0.00 -0.11 0.00 0.00 41.96 38.39 2jcm s TYR 82 CO 0.00 -2.18 1.14 -1.25 -1.11 0.00 0.00 175.55 172.16 2jcm s PRO 83 N -3.66 3.54 0.60 -1.71 0.04 -1.26 -4.39 135.00 128.16 2jcm s PRO 83 Ca 0.74 1.68 0.28 0.00 0.04 0.00 0.00 61.00 63.75 2jcm s PRO 83 Cb -0.27 -2.19 1.45 0.00 0.04 0.00 0.00 34.50 33.53 2jcm s PRO 83 CO 0.38 -0.71 1.86 1.96 0.04 0.00 0.00 177.00 180.53 2jcm h GLN 84 N 1.59 0.00 -0.70 4.56 1.08 -1.94 -1.72 115.11 117.98 2jcm h GLN 84 Ca -0.50 0.00 0.15 0.00 -1.45 0.00 0.00 58.65 56.85 2jcm h GLN 84 Cb 1.26 0.00 -0.04 0.00 -0.05 0.00 0.00 27.48 28.64 2jcm h GLN 84 CO 0.58 0.00 0.47 0.93 -0.95 0.00 0.00 178.83 179.87 2jcm h GLU 85 N 0.00 0.31 -0.97 1.46 3.07 -2.03 -0.58 114.58 115.85 2jcm h GLU 85 Ca 0.20 -0.02 0.29 0.00 -0.50 0.00 0.00 59.36 59.33 2jcm h GLU 85 Cb 1.22 -0.07 -0.14 0.00 -0.84 0.00 0.00 28.75 28.91 2jcm h GLU 85 CO -0.00 0.21 0.47 -0.07 -1.40 0.00 0.00 179.01 178.22 2jcm h LEU 86 N 0.32 0.37 -2.62 1.33 4.07 -1.68 0.10 115.31 117.21 2jcm h LEU 86 Ca 0.34 0.19 0.00 0.00 0.08 0.00 0.00 57.88 58.49 2jcm h LEU 86 Cb 0.87 0.17 -0.00 0.00 1.08 0.00 0.00 40.66 42.78 2jcm h LEU 86 CO -0.09 -0.12 0.03 -0.07 -1.08 0.00 0.00 178.44 177.11 2jcm h LEU 87 N 0.31 0.00 -0.31 1.67 3.38 -1.32 0.19 115.31 119.24 2jcm h LEU 87 Ca 0.67 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.64 2jcm h LEU 87 Cb 1.47 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.22 2jcm h LEU 87 CO -0.61 0.00 -0.08 -1.54 0.09 0.00 0.00 178.44 176.30 2jcm n SER 88 N -3.54 0.56 -4.77 -0.43 3.41 0.35 -4.86 113.62 104.33 2jcm n SER 88 Ca -0.03 -0.77 -0.36 0.00 -0.26 0.00 0.00 58.87 57.45 2jcm n SER 88 Cb 0.11 -0.05 -0.00 0.00 -0.26 0.00 0.00 64.21 64.01 2jcm n SER 88 CO 0.00 0.00 0.00 -0.36 -0.16 0.00 0.00 175.04 174.52 2jcm s PHE 89 N -2.34 2.77 -0.02 7.33 0.08 0.05 -5.06 117.98 120.80 2jcm s PHE 89 Ca 0.33 1.54 -0.02 0.00 0.12 0.00 0.00 56.93 58.90 2jcm s PHE 89 Cb 0.20 -3.34 0.00 0.00 -0.57 0.00 0.00 43.02 39.32 2jcm s PHE 89 CO 0.44 -1.55 0.04 0.00 -0.10 0.00 0.00 175.22 174.05 2jcm s ALA 90 N -1.65 -0.11 0.22 5.36 0.00 -1.26 -5.05 121.76 119.27 2jcm s ALA 90 Ca 0.68 0.13 -0.31 0.00 0.00 0.00 0.00 51.96 52.45 2jcm s ALA 90 Cb -0.26 -0.07 -0.11 0.00 0.00 0.00 0.00 23.12 22.67 2jcm s ALA 90 CO 0.31 -0.02 1.66 -0.47 0.00 0.00 0.00 175.76 177.24 2jcm s TYR 91 N 0.02 2.91 -0.23 0.00 5.04 -1.26 -4.99 117.35 118.84 2jcm s TYR 91 Ca -0.00 0.50 0.02 0.00 -2.44 0.00 0.00 57.07 55.15 2jcm s TYR 91 Cb -0.00 -4.08 0.05 0.00 0.35 0.00 0.00 41.96 38.28 2jcm s TYR 91 CO 0.00 -3.96 -0.11 0.34 -1.34 0.00 0.00 175.55 170.48 2jcm s ASP 92 N 1.01 3.89 0.25 4.32 2.15 -1.26 -5.00 116.67 122.03 2jcm s ASP 92 Ca 0.71 -1.13 0.25 0.00 0.43 0.00 0.00 52.55 52.82 2jcm s ASP 92 Cb -0.48 -1.39 0.89 0.00 -0.30 0.00 0.00 42.92 41.64 2jcm s ASP 92 CO 0.35 -0.16 1.75 -1.54 -0.17 0.00 0.00 175.17 175.40 2jcm n SER 93 N 4.56 0.79 0.10 -0.34 3.41 -1.26 -2.64 113.62 118.25 2jcm n SER 93 Ca -0.15 0.62 0.13 0.00 -0.26 0.00 0.00 58.87 59.21 2jcm n SER 93 Cb 0.45 -0.82 0.33 0.00 -0.26 0.00 0.00 64.21 63.91 2jcm n SER 93 CO 0.00 0.00 0.00 0.71 -0.16 0.00 0.00 175.04 175.59 2jcm h THR 94 N 0.00 0.00 0.23 6.66 1.35 -1.96 -3.38 112.91 115.82 2jcm h THR 94 Ca 0.00 -0.52 -0.01 0.00 -0.55 0.00 0.00 66.41 65.33 2jcm h THR 94 Cb 0.58 1.43 0.00 0.00 -1.73 0.00 0.00 68.15 68.43 2jcm h THR 94 CO 0.00 0.00 -0.11 0.15 -0.25 0.00 0.00 175.52 175.31 2jcm h PHE 95 N 0.00 -0.29 -3.51 4.73 3.57 -1.91 -1.46 116.94 118.06 2jcm h PHE 95 Ca 0.00 -0.01 -0.53 0.00 3.53 0.00 0.00 57.97 60.96 2jcm h PHE 95 Cb 0.76 0.10 -0.03 0.00 2.79 0.00 0.00 35.95 39.57 2jcm h PHE 95 CO 0.00 -0.18 0.19 -1.25 -2.23 0.00 0.00 178.31 174.83 2jcm s PRO 96 N -2.64 4.56 0.03 6.41 0.04 -1.26 -3.05 135.00 139.09 2jcm s PRO 96 Ca -0.05 1.16 0.04 0.00 0.04 0.00 0.00 61.00 62.19 2jcm s PRO 96 Cb 0.00 -3.29 -0.04 0.00 0.04 0.00 0.00 34.50 31.22 2jcm s PRO 96 CO 0.14 0.50 -0.05 0.99 0.04 0.00 0.00 177.00 178.62 2jcm s THR 97 N -0.89 3.75 0.53 1.26 2.01 -1.26 -4.90 115.64 116.14 2jcm s THR 97 Ca 0.37 -0.83 -0.20 0.00 0.31 0.00 0.00 61.69 61.34 2jcm s THR 97 Cb -0.23 -2.67 -0.06 0.00 0.01 0.00 0.00 72.50 69.55 2jcm s THR 97 CO 0.26 0.32 1.12 -0.60 -0.69 0.00 0.00 174.62 175.03 2jcm s ARG 98 N -1.65 3.42 0.00 4.92 3.52 -1.26 -4.02 118.95 123.87 2jcm s ARG 98 Ca 0.19 1.58 0.00 0.00 -0.13 0.00 0.00 55.73 57.38 2jcm s ARG 98 Cb -0.11 -2.02 0.00 0.00 -1.56 0.00 0.00 34.95 31.25 2jcm s ARG 98 CO 0.10 -0.79 0.00 0.41 -0.81 0.00 0.00 175.30 174.21 2jcm n GLY 99 N 0.12 0.84 3.76 8.12 0.00 -0.26 -4.85 105.19 112.92 2jcm n GLY 99 Ca 0.11 -0.02 -0.32 0.00 0.00 0.00 0.00 46.02 45.79 2jcm n GLY 99 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2jcm s LEU 100 N 0.00 3.23 -0.24 0.99 1.43 -1.25 -4.61 118.68 118.23 2jcm s LEU 100 Ca 0.00 1.96 -0.04 0.00 -1.03 0.00 0.00 54.13 55.02 2jcm s LEU 100 Cb 0.00 -4.54 -0.00 0.00 0.03 0.00 0.00 46.19 41.68 2jcm s LEU 100 CO 0.00 -1.87 -0.02 -0.69 0.23 0.00 0.00 176.35 174.00 2jcm s VAL 101 N -2.55 3.44 -0.26 -1.59 1.01 0.12 -0.04 120.40 120.52 2jcm s VAL 101 Ca 0.65 -0.58 -0.26 0.00 0.00 0.00 0.00 61.98 61.80 2jcm s VAL 101 Cb -0.20 -2.62 0.00 0.00 0.00 0.00 0.00 36.38 33.56 2jcm s VAL 101 CO 0.48 0.34 0.89 0.12 0.00 0.00 0.00 175.10 176.93 2jcm s PHE 102 N 1.47 3.28 -0.43 5.22 5.36 0.25 -0.45 117.98 132.69 2jcm s PHE 102 Ca 0.05 1.14 -0.25 0.00 -0.96 0.00 0.00 56.93 56.91 2jcm s PHE 102 Cb -0.15 -3.20 0.02 0.00 -0.34 0.00 0.00 43.02 39.35 2jcm s PHE 102 CO -0.02 -0.49 0.89 0.34 -1.46 0.00 0.00 175.22 174.48 2jcm s ASP 103 N 1.40 6.54 0.34 6.13 -1.08 -0.01 -1.44 116.67 128.56 2jcm s ASP 103 Ca 0.37 0.23 0.26 0.00 -0.52 0.00 0.00 52.55 52.89 2jcm s ASP 103 Cb -0.15 -2.44 0.72 0.00 -1.46 0.00 0.00 42.92 39.60 2jcm s ASP 103 CO 0.09 -0.95 1.73 0.71 0.52 0.00 0.00 175.17 177.27 2jcm h THR 104 N 5.97 0.00 0.45 1.71 1.35 -1.36 0.08 112.91 121.10 2jcm h THR 104 Ca -0.24 -0.65 -0.02 0.00 -0.55 0.00 0.00 66.41 64.95 2jcm h THR 104 Cb 1.08 1.62 0.00 0.00 -1.73 0.00 0.00 68.15 69.12 2jcm h THR 104 CO 0.99 0.00 -0.22 0.25 -0.25 0.00 0.00 175.52 176.30 2jcm h LEU 105 N 0.00 -0.51 -0.64 3.87 5.85 -1.92 -1.72 115.31 120.25 2jcm h LEU 105 Ca 0.00 -0.07 0.00 0.00 0.84 0.00 0.00 57.88 58.65 2jcm h LEU 105 Cb 0.77 0.13 0.00 0.00 0.37 0.00 0.00 40.66 41.93 2jcm h LEU 105 CO 0.00 -0.09 -0.66 -1.22 -0.34 0.00 0.00 178.44 176.13 2jcm n TYR 106 N -5.19 0.00 -2.86 1.25 4.01 -1.23 -4.44 117.16 108.70 2jcm n TYR 106 Ca -0.09 0.00 -0.12 0.00 -0.16 0.00 0.00 57.90 57.53 2jcm n TYR 106 Cb 0.28 0.00 0.03 0.00 -0.31 0.00 0.00 39.34 39.34 2jcm n TYR 106 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 2jcm n GLY 107 N 1.44 0.11 3.69 2.72 0.00 0.00 -4.92 105.19 108.23 2jcm n GLY 107 Ca 0.07 -0.25 -0.31 0.00 0.00 0.00 0.00 46.02 45.53 2jcm n GLY 107 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 2jcm s ASN 108 N -3.01 5.12 -0.18 1.61 0.01 -1.14 -4.48 114.94 112.88 2jcm s ASN 108 Ca 0.23 -0.08 -0.15 0.00 -0.71 0.00 0.00 52.86 52.15 2jcm s ASN 108 Cb -0.10 -1.29 -0.04 0.00 0.41 0.00 0.00 41.25 40.22 2jcm s ASN 108 CO 0.29 0.22 0.37 -0.76 -1.51 0.00 0.00 177.10 175.71 2jcm s LEU 109 N -1.97 4.19 -0.08 0.60 1.43 -0.46 -0.83 118.68 121.57 2jcm s LEU 109 Ca 0.23 0.53 0.04 0.00 -1.03 0.00 0.00 54.13 53.90 2jcm s LEU 109 Cb -0.12 -2.48 -0.01 0.00 0.03 0.00 0.00 46.19 43.61 2jcm s LEU 109 CO 0.15 -0.01 -0.19 -0.76 0.23 0.00 0.00 176.35 175.76 2jcm s LEU 110 N 0.97 2.39 -0.29 1.79 1.43 0.41 -0.90 118.68 124.48 2jcm s LEU 110 Ca 0.19 -0.40 -0.14 0.00 -1.03 0.00 0.00 54.13 52.75 2jcm s LEU 110 Cb -0.14 -1.48 -0.04 0.00 0.03 0.00 0.00 46.19 44.56 2jcm s LEU 110 CO 0.07 0.24 0.30 -0.75 0.23 0.00 0.00 176.35 176.44 2jcm s LYS 111 N -0.12 3.90 0.34 1.70 2.20 -0.70 -0.70 119.74 126.36 2jcm s LYS 111 Ca -0.03 -0.18 0.09 0.00 -0.36 0.00 0.00 55.97 55.49 2jcm s LYS 111 Cb -0.14 -3.69 -0.05 0.00 -1.51 0.00 0.00 37.83 32.44 2jcm s LYS 111 CO 0.04 -0.29 0.00 0.14 -0.36 0.00 0.00 175.35 174.88 2jcm s VAL 112 N 1.94 2.64 0.59 4.02 -7.23 -1.26 0.19 120.40 121.29 2jcm s VAL 112 Ca 0.11 -1.99 0.01 0.00 -1.81 0.00 0.00 61.98 58.31 2jcm s VAL 112 Cb -0.16 -2.78 0.11 0.00 0.56 0.00 0.00 36.38 34.12 2jcm s VAL 112 CO 0.11 -0.21 0.81 -0.90 -0.31 0.00 0.00 175.10 174.60 2jcm n ASP 113 N -0.94 1.26 0.07 4.85 5.68 -0.76 -1.75 116.55 124.96 2jcm n ASP 113 Ca -0.04 -2.02 0.20 0.00 -0.50 0.00 0.00 54.79 52.43 2jcm n ASP 113 Cb 0.62 -0.51 0.74 0.00 -1.14 0.00 0.00 41.12 40.83 2jcm n ASP 113 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 2jcm h ALA 114 N -0.45 2.21 -0.49 2.12 0.00 -1.75 -2.28 119.26 118.61 2jcm h ALA 114 Ca -0.27 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.62 2jcm h ALA 114 Cb 1.04 0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.86 2jcm h ALA 114 CO 0.31 -0.64 0.00 0.66 0.00 0.00 0.00 179.25 179.57 2jcm n TYR 115 N -3.90 0.65 -0.85 0.00 4.01 -1.26 -4.95 117.16 110.87 2jcm n TYR 115 Ca 0.08 -0.32 0.00 0.00 -0.16 0.00 0.00 57.90 57.50 2jcm n TYR 115 Cb 0.60 0.00 0.00 0.00 -0.31 0.00 0.00 39.34 39.63 2jcm n TYR 115 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 2jcm n GLY 116 N 1.54 0.80 3.77 2.72 0.00 -0.86 -4.83 105.19 108.32 2jcm n GLY 116 Ca 0.21 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.84 2jcm n GLY 116 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 2jcm s ASN 117 N -2.64 6.57 -0.21 1.61 0.01 -1.26 -0.97 114.94 118.06 2jcm s ASN 117 Ca 0.00 2.42 -0.24 0.00 -0.71 0.00 0.00 52.86 54.33 2jcm s ASN 117 Cb 0.00 -2.62 -0.01 0.00 0.41 0.00 0.00 41.25 39.02 2jcm s ASN 117 CO 0.00 -0.65 0.78 -0.76 -1.51 0.00 0.00 177.10 174.96 2jcm s LEU 118 N -2.34 4.13 -0.24 0.60 1.02 -0.42 -1.83 118.68 119.59 2jcm s LEU 118 Ca 0.55 1.03 0.00 0.00 0.02 0.00 0.00 54.13 55.74 2jcm s LEU 118 Cb -0.33 -3.13 -0.18 0.00 0.02 0.00 0.00 46.19 42.58 2jcm s LEU 118 CO 0.42 -0.42 -0.17 0.18 0.02 0.00 0.00 176.35 176.38 2jcm n LEU 119 N 5.50 2.89 -3.89 1.79 4.77 0.13 -4.98 117.00 123.21 2jcm n LEU 119 Ca 0.03 -0.08 -0.11 0.00 -0.03 0.00 0.00 56.01 55.83 2jcm n LEU 119 Cb 0.48 -0.93 -0.11 0.00 -2.33 0.00 0.00 43.42 40.53 2jcm n LEU 119 CO 0.47 0.91 -0.25 -0.69 -1.33 0.00 0.00 177.39 176.50 2jcm s VAL 120 N -2.52 0.07 -0.07 4.08 1.01 -0.93 -4.96 120.40 117.07 2jcm s VAL 120 Ca -0.34 -0.54 -0.03 0.00 0.00 0.00 0.00 61.98 61.08 2jcm s VAL 120 Cb 0.09 -0.29 0.04 0.00 0.00 0.00 0.00 36.38 36.21 2jcm s VAL 120 CO 0.61 -0.30 0.06 0.00 0.00 0.00 0.00 175.10 175.48 2jcm s ALA 122 N 2.14 2.48 -0.36 0.00 0.00 -0.08 -0.93 121.76 125.02 2jcm s ALA 122 Ca 0.04 -0.93 -0.05 0.00 0.00 0.00 0.00 51.96 51.02 2jcm s ALA 122 Cb -0.13 -1.05 0.06 0.00 0.00 0.00 0.00 23.12 22.00 2jcm s ALA 122 CO -0.04 0.30 0.13 -1.58 0.00 0.00 0.00 175.76 174.56 2jcm s HIS 123 N 0.20 3.33 0.00 0.00 2.46 0.73 -1.35 115.29 120.66 2jcm s HIS 123 Ca -0.10 -1.71 0.00 0.00 0.47 0.00 0.00 55.06 53.71 2jcm s HIS 123 Cb -0.16 -2.53 0.00 0.00 -0.13 0.00 0.00 32.58 29.77 2jcm s HIS 123 CO 0.06 -0.81 0.00 0.41 -2.47 0.00 0.00 174.74 171.93 2jcm n GLY 124 N 4.75 4.34 1.30 1.59 0.00 -1.26 -1.55 105.19 114.35 2jcm n GLY 124 Ca -0.10 0.16 0.08 0.00 0.00 0.00 0.00 46.02 46.16 2jcm n GLY 124 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 2jcm n PHE 125 N 14.00 1.35 -3.44 1.61 3.72 -1.26 -4.83 117.46 128.61 2jcm n PHE 125 Ca 0.00 -0.75 -0.41 0.00 -0.05 0.00 0.00 57.45 56.24 2jcm n PHE 125 Cb 0.00 -0.34 -0.10 0.00 -0.94 0.00 0.00 39.48 38.10 2jcm n PHE 125 CO 0.00 0.00 0.00 1.21 -0.05 0.00 0.00 176.76 177.92 2jcm s ASN 126 N -1.33 6.14 -0.40 4.37 2.47 -0.60 -5.04 114.94 120.55 2jcm s ASN 126 Ca 0.46 -0.31 -0.26 0.00 0.42 0.00 0.00 52.86 53.17 2jcm s ASN 126 Cb 0.34 -2.18 0.02 0.00 -1.45 0.00 0.00 41.25 37.98 2jcm s ASN 126 CO 0.14 -0.32 0.96 -0.36 -3.72 0.00 0.00 177.10 173.81 2jcm s PHE 127 N 1.93 3.01 -0.02 0.43 0.40 -1.26 -0.19 117.98 122.27 2jcm s PHE 127 Ca 0.10 0.68 -0.24 0.00 -0.60 0.00 0.00 56.93 56.87 2jcm s PHE 127 Cb -0.17 -3.83 -0.04 0.00 0.51 0.00 0.00 43.02 39.48 2jcm s PHE 127 CO 0.11 -0.95 0.74 0.42 0.70 0.00 0.00 175.22 176.24 2jcm s ILE 128 N 3.68 4.91 0.48 0.64 -1.09 -0.10 -5.01 121.20 124.71 2jcm s ILE 128 Ca 0.39 1.55 -0.05 0.00 -2.23 0.00 0.00 60.65 60.32 2jcm s ILE 128 Cb -0.11 -4.09 -0.04 0.00 -1.58 0.00 0.00 42.46 36.65 2jcm s ILE 128 CO 0.22 0.29 0.77 -0.13 -1.23 0.00 0.00 174.94 174.87 2jcm s ARG 129 N 0.47 3.53 0.00 2.79 0.52 -1.26 -4.35 118.95 120.64 2jcm s ARG 129 Ca 0.39 0.17 0.00 0.00 -0.52 0.00 0.00 55.73 55.76 2jcm s ARG 129 Cb -0.19 -2.39 0.00 0.00 0.52 0.00 0.00 34.95 32.89 2jcm s ARG 129 CO 0.21 -0.19 0.05 0.41 0.02 0.00 0.00 175.30 175.79 2jcm n GLY 130 N -2.24 -0.26 0.37 -3.53 0.00 -1.26 -1.59 105.19 96.68 2jcm n GLY 130 Ca 0.00 0.05 0.15 0.00 0.00 0.00 0.00 46.02 46.23 2jcm n GLY 130 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 2jcm h PRO 131 N 0.00 0.62 0.00 1.61 0.11 -2.03 -2.17 132.00 130.14 2jcm h PRO 131 Ca 0.00 -0.04 -0.09 0.00 0.11 0.00 0.00 66.00 65.98 2jcm h PRO 131 Cb 0.00 -0.14 -0.01 0.00 0.11 0.00 0.00 31.00 30.96 2jcm h PRO 131 CO 0.00 0.41 -0.42 1.49 -0.21 0.00 0.00 178.00 179.27 2jcm h GLU 132 N 0.64 0.00 0.00 1.05 4.81 -1.68 -3.02 114.58 116.38 2jcm h GLU 132 Ca 0.55 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.78 2jcm h GLU 132 Cb 1.03 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.41 2jcm h GLU 132 CO -0.32 0.42 0.00 1.79 -0.73 0.00 0.00 179.01 180.18 2jcm h THR 133 N 0.00 0.00 0.00 0.32 1.35 -1.12 -3.06 112.91 110.40 2jcm h THR 133 Ca -0.00 -0.31 -0.07 0.00 -0.55 0.00 0.00 66.41 65.48 2jcm h THR 133 Cb 0.86 1.11 -0.01 0.00 -1.73 0.00 0.00 68.15 68.38 2jcm h THR 133 CO 0.06 0.00 -0.33 0.03 -0.25 0.00 0.00 175.52 175.03 2jcm h ARG 134 N 0.00 0.00 -0.33 4.72 3.08 -1.61 0.14 114.38 120.39 2jcm h ARG 134 Ca 0.00 0.00 0.07 0.00 0.07 0.00 0.00 59.98 60.12 2jcm h ARG 134 Cb 0.41 0.00 -0.08 0.00 0.08 0.00 0.00 29.97 30.38 2jcm h ARG 134 CO 0.00 0.33 -0.31 0.93 -1.07 0.00 0.00 179.97 179.85 2jcm h GLU 135 N 0.00 -0.26 0.00 0.04 5.08 -1.72 -2.85 114.58 114.87 2jcm h GLU 135 Ca -0.00 0.02 -0.16 0.00 -1.00 0.00 0.00 59.36 58.22 2jcm h GLU 135 Cb 1.00 0.06 -0.03 0.00 0.50 0.00 0.00 28.75 30.28 2jcm h GLU 135 CO 0.04 -0.18 -1.83 1.04 -1.00 0.00 0.00 179.01 177.08 2jcm n GLN 136 N -5.41 0.65 -3.70 2.33 6.02 -1.15 -4.60 117.38 111.52 2jcm n GLN 136 Ca 0.00 0.02 -0.27 0.00 -0.01 0.00 0.00 57.00 56.73 2jcm n GLN 136 Cb 0.33 -1.64 -0.11 0.00 1.02 0.00 0.00 30.24 29.84 2jcm n GLN 136 CO 0.00 0.00 0.00 0.66 -1.01 0.00 0.00 177.06 176.71 2jcm n TYR 137 N -2.63 2.46 0.03 1.08 4.01 0.03 -4.99 117.16 117.15 2jcm n TYR 137 Ca -0.13 -4.09 0.19 0.00 -0.16 0.00 0.00 57.90 53.71 2jcm n TYR 137 Cb 0.82 -0.45 0.70 0.00 -0.31 0.00 0.00 39.34 40.09 2jcm n TYR 137 CO 0.00 0.00 0.00 -1.35 -0.46 0.00 0.00 176.86 175.05 2jcm h PRO 138 N 5.15 0.00 -0.24 -0.72 0.11 -1.72 -0.19 132.00 134.40 2jcm h PRO 138 Ca 0.17 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.28 2jcm h PRO 138 Cb 0.77 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.88 2jcm h PRO 138 CO 0.67 0.00 0.00 -1.71 -0.21 0.00 0.00 178.00 176.75 2jcm n ASN 139 N -4.31 3.57 -4.09 -2.05 5.15 -1.26 -4.92 115.26 107.34 2jcm n ASN 139 Ca 0.09 -2.88 -0.30 0.00 -0.60 0.00 0.00 54.58 50.89 2jcm n ASN 139 Cb 0.57 -0.48 -0.03 0.00 -0.53 0.00 0.00 39.78 39.31 2jcm n ASN 139 CO 0.00 0.00 0.00 0.29 1.40 0.00 0.00 177.26 178.95 2jcm n LYS 140 N -0.48 -3.06 -3.67 1.20 5.02 -0.08 -4.93 118.16 112.16 2jcm n LYS 140 Ca 0.19 0.37 -0.14 0.00 -2.02 0.00 0.00 58.31 56.71 2jcm n LYS 140 Cb 0.79 -4.69 -0.08 0.00 -0.02 0.00 0.00 35.03 31.04 2jcm n LYS 140 CO 0.00 0.00 0.00 0.12 -0.52 0.00 0.00 177.40 177.00 2jcm s PHE 141 N -3.72 -0.59 0.14 2.13 5.36 -1.26 -1.31 117.98 118.74 2jcm s PHE 141 Ca 0.31 1.38 0.11 0.00 -0.96 0.00 0.00 56.93 57.76 2jcm s PHE 141 Cb -0.17 0.22 -0.04 0.00 -0.34 0.00 0.00 43.02 42.69 2jcm s PHE 141 CO 0.91 -0.33 -0.26 0.96 -1.46 0.00 0.00 175.22 175.05 2jcm s ILE 142 N 0.05 2.23 -0.80 3.12 -4.36 -0.14 -4.89 121.20 116.40 2jcm s ILE 142 Ca -0.02 -1.81 -0.20 0.00 -0.26 0.00 0.00 60.65 58.37 2jcm s ILE 142 Cb -0.04 -1.99 0.12 0.00 1.25 0.00 0.00 42.46 41.80 2jcm s ILE 142 CO 0.02 0.02 1.00 -1.10 0.24 0.00 0.00 174.94 175.12 2jcm s GLN 143 N -2.20 3.38 0.12 0.37 -0.21 -1.26 -4.47 119.66 115.40 2jcm s GLN 143 Ca 0.15 -1.48 0.21 0.00 0.02 0.00 0.00 55.36 54.26 2jcm s GLN 143 Cb -0.09 -4.60 0.87 0.00 1.00 0.00 0.00 33.01 30.18 2jcm s GLN 143 CO 0.07 -1.72 1.66 2.89 -2.12 0.00 0.00 175.29 176.07 2jcm n ARG 144 N 6.68 0.11 -0.82 2.91 1.85 -1.26 -1.28 116.66 124.84 2jcm n ARG 144 Ca 0.11 0.27 -0.16 0.00 -1.00 0.00 0.00 57.85 57.06 2jcm n ARG 144 Cb 0.47 -1.68 0.10 0.00 -1.05 0.00 0.00 32.46 30.30 2jcm n ARG 144 CO 0.00 0.00 0.00 -0.25 -0.01 0.00 0.00 177.63 177.37 2jcm n ASP 145 N -1.87 4.17 -4.14 2.89 9.92 -1.26 -4.33 116.55 121.93 2jcm n ASP 145 Ca 0.04 -3.07 -0.37 0.00 -0.53 0.00 0.00 54.79 50.86 2jcm n ASP 145 Cb 0.25 -0.78 -0.06 0.00 -0.64 0.00 0.00 41.12 39.90 2jcm n ASP 145 CO 0.00 0.00 0.00 -0.62 0.13 0.00 0.00 177.20 176.71 2jcm s ASP 146 N -0.44 6.17 0.48 -2.24 2.15 -0.40 -4.91 116.67 117.48 2jcm s ASP 146 Ca 0.37 -3.70 0.27 0.00 0.43 0.00 0.00 52.55 49.91 2jcm s ASP 146 Cb 0.31 -1.95 0.77 0.00 -0.30 0.00 0.00 42.92 41.75 2jcm s ASP 146 CO 0.05 -0.20 1.77 0.71 -0.17 0.00 0.00 175.17 177.33 2jcm h THR 147 N 4.02 0.07 -0.19 1.71 1.35 -1.78 -0.70 112.91 117.39 2jcm h THR 147 Ca 0.16 -0.86 -0.07 0.00 -0.55 0.00 0.00 66.41 65.09 2jcm h THR 147 Cb 0.82 1.81 -0.01 0.00 -1.73 0.00 0.00 68.15 69.04 2jcm h THR 147 CO 0.88 0.03 -0.20 -0.33 -0.25 0.00 0.00 175.52 175.65 2jcm h GLU 148 N 0.00 0.32 0.00 4.72 4.39 -1.95 -3.32 114.58 118.74 2jcm h GLU 148 Ca -0.00 -0.10 -0.37 0.00 0.34 0.00 0.00 59.36 59.23 2jcm h GLU 148 Cb 0.81 -0.03 -0.07 0.00 -0.10 0.00 0.00 28.75 29.36 2jcm h GLU 148 CO 0.00 0.52 -2.37 -2.13 -1.16 0.00 0.00 179.01 173.87 2jcm n ARG 149 N -4.19 0.68 -4.44 2.33 0.63 -0.75 -4.94 116.66 105.98 2jcm n ARG 149 Ca -0.00 0.03 -0.33 0.00 -0.92 0.00 0.00 57.85 56.62 2jcm n ARG 149 Cb 0.34 -1.53 -0.16 0.00 0.45 0.00 0.00 32.46 31.55 2jcm n ARG 149 CO 0.00 0.00 0.00 -0.06 -2.51 0.00 0.00 177.63 175.06 2jcm s PHE 150 N -2.50 2.73 -0.18 -0.14 0.08 -0.34 -0.96 117.98 116.66 2jcm s PHE 150 Ca -0.13 -1.42 -0.01 0.00 0.12 0.00 0.00 56.93 55.48 2jcm s PHE 150 Cb 0.07 -1.87 -0.00 0.00 -0.57 0.00 0.00 43.02 40.65 2jcm s PHE 150 CO 0.80 -0.67 -0.11 -0.47 -0.10 0.00 0.00 175.22 174.67 2jcm s TYR 151 N 1.00 2.86 -0.17 0.36 5.04 -0.52 -4.47 117.35 121.46 2jcm s TYR 151 Ca -0.02 -1.03 -0.22 0.00 -2.44 0.00 0.00 57.07 53.36 2jcm s TYR 151 Cb -0.15 -1.98 -0.03 0.00 0.35 0.00 0.00 41.96 40.16 2jcm s TYR 151 CO -0.06 -0.52 0.66 0.42 -1.34 0.00 0.00 175.55 174.72 2jcm s ILE 152 N 1.10 5.01 -1.13 3.14 1.01 -1.26 -0.58 121.20 128.48 2jcm s ILE 152 Ca 0.00 1.28 -0.06 0.00 0.00 0.00 0.00 60.65 61.87 2jcm s ILE 152 Cb -0.14 -3.98 0.27 0.00 0.01 0.00 0.00 42.46 38.61 2jcm s ILE 152 CO -0.03 0.12 1.50 0.18 0.00 0.00 0.00 174.94 176.71 2jcm n LEU 153 N 4.86 6.27 0.22 2.97 4.77 0.94 -4.82 117.00 132.21 2jcm n LEU 153 Ca -0.01 -5.04 0.11 0.00 -0.03 0.00 0.00 56.01 51.04 2jcm n LEU 153 Cb 0.50 -1.36 0.36 0.00 -2.33 0.00 0.00 43.42 40.59 2jcm n LEU 153 CO 0.45 1.53 0.80 0.78 -1.33 0.00 0.00 177.39 179.62 2jcm h ASN 154 N 5.78 0.00 -2.07 -1.43 2.35 -1.90 -0.68 115.58 117.63 2jcm h ASN 154 Ca 0.24 0.00 -0.56 0.00 -0.55 0.00 0.00 56.30 55.43 2jcm h ASN 154 Cb 0.67 0.00 -0.10 0.00 0.05 0.00 0.00 38.32 38.95 2jcm h ASN 154 CO 1.33 0.14 -0.62 0.42 -1.65 0.00 0.00 177.43 177.05 2jcm s THR 155 N -3.41 3.12 0.44 2.81 -4.23 -1.26 -4.65 115.64 108.46 2jcm s THR 155 Ca 0.03 -1.91 0.26 0.00 -1.18 0.00 0.00 61.69 58.90 2jcm s THR 155 Cb 0.08 -2.83 0.29 0.00 1.34 0.00 0.00 72.50 71.38 2jcm s THR 155 CO 0.64 -0.30 2.09 -0.07 -0.54 0.00 0.00 174.62 176.44 2jcm h LEU 156 N 1.82 0.00 -1.94 4.79 3.38 -1.93 -1.42 115.31 120.01 2jcm h LEU 156 Ca -0.44 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.54 2jcm h LEU 156 Cb 1.25 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 42.00 2jcm h LEU 156 CO 0.62 0.11 0.04 -0.26 0.09 0.00 0.00 178.44 179.05 2jcm h PHE 157 N 0.00 0.07 -0.00 1.13 0.04 -1.98 -2.21 116.94 113.99 2jcm h PHE 157 Ca -0.00 0.00 0.00 0.00 2.80 0.00 0.00 57.97 60.77 2jcm h PHE 157 Cb 0.29 -0.03 0.00 0.00 2.20 0.00 0.00 35.95 38.41 2jcm h PHE 157 CO 0.00 0.05 -0.05 0.09 -0.60 0.00 0.00 178.31 177.79 2jcm n ASN 158 N -4.53 0.49 -0.01 2.17 5.03 -0.54 -4.20 115.26 113.68 2jcm n ASN 158 Ca -0.02 -0.83 -0.09 0.00 0.87 0.00 0.00 54.58 54.51 2jcm n ASN 158 Cb 0.09 -0.05 -0.04 0.00 -1.02 0.00 0.00 39.78 38.76 2jcm n ASN 158 CO 0.00 0.00 0.00 -0.07 -1.83 0.00 0.00 177.26 175.36 2jcm h LEU 159 N 0.69 -0.16 -0.89 3.41 3.38 -1.43 0.11 115.31 120.42 2jcm h LEU 159 Ca 0.00 0.05 0.01 0.00 0.09 0.00 0.00 57.88 58.03 2jcm h LEU 159 Cb 0.28 0.10 -0.05 0.00 0.09 0.00 0.00 40.66 41.08 2jcm h LEU 159 CO 0.00 -0.06 0.59 1.55 0.09 0.00 0.00 178.44 180.60 2jcm h PRO 160 N -0.02 1.15 -0.43 1.13 0.13 -1.79 -2.74 132.00 129.43 2jcm h PRO 160 Ca 0.07 -0.07 -0.13 0.00 -0.87 0.00 0.00 66.00 65.00 2jcm h PRO 160 Cb 0.12 -0.26 -0.01 0.00 0.13 0.00 0.00 31.00 30.98 2jcm h PRO 160 CO -0.15 0.76 -0.25 1.05 -0.23 0.00 0.00 178.00 179.18 2jcm h GLU 161 N 1.19 0.91 -0.60 0.86 4.11 -1.79 -0.45 114.58 118.80 2jcm h GLU 161 Ca 0.33 -0.40 0.13 0.00 0.07 0.00 0.00 59.36 59.49 2jcm h GLU 161 Cb -0.11 -0.03 -0.11 0.00 0.50 0.00 0.00 28.75 29.01 2jcm h GLU 161 CO -0.08 1.05 -0.05 1.15 0.07 0.00 0.00 179.01 181.15 2jcm h THR 162 N 0.78 0.47 -0.08 -1.06 2.02 -0.77 0.96 112.91 115.22 2jcm h THR 162 Ca 0.10 -0.03 -0.14 0.00 0.77 0.00 0.00 66.41 67.11 2jcm h THR 162 Cb 0.81 0.38 -0.01 0.00 -1.74 0.00 0.00 68.15 67.59 2jcm h THR 162 CO 0.07 0.01 -0.55 0.22 0.37 0.00 0.00 175.52 175.64 2jcm h TYR 163 N 0.08 0.31 -0.17 3.16 3.20 -1.19 -3.12 116.97 119.24 2jcm h TYR 163 Ca 0.31 -0.11 -0.14 0.00 3.14 0.00 0.00 58.73 61.93 2jcm h TYR 163 Cb 0.49 -0.06 0.00 0.00 1.54 0.00 0.00 36.73 38.71 2jcm h TYR 163 CO -0.40 0.74 -0.46 1.25 -1.64 0.00 0.00 178.16 177.65 2jcm h LEU 164 N 0.19 0.69 -0.60 2.82 5.85 -0.06 -1.02 115.31 123.18 2jcm h LEU 164 Ca 0.00 -0.58 0.12 0.00 0.84 0.00 0.00 57.88 58.26 2jcm h LEU 164 Cb 1.03 -0.20 -0.11 0.00 0.37 0.00 0.00 40.66 41.75 2jcm h LEU 164 CO 0.09 1.15 -0.16 -0.07 -0.34 0.00 0.00 178.44 179.11 2jcm h LEU 165 N 0.26 -0.59 -0.48 2.25 3.38 -0.86 -0.35 115.31 118.92 2jcm h LEU 165 Ca -0.01 0.18 -0.08 0.00 0.09 0.00 0.00 57.88 58.07 2jcm h LEU 165 Cb 1.08 0.38 -0.02 0.00 0.09 0.00 0.00 40.66 42.19 2jcm h LEU 165 CO 0.10 -0.20 0.01 0.00 0.09 0.00 0.00 178.44 178.43 2jcm h ALA 166 N 1.58 0.65 -0.53 1.53 0.00 -1.41 -1.17 119.26 119.90 2jcm h ALA 166 Ca 0.29 -0.28 0.10 0.00 0.00 0.00 0.00 54.91 55.02 2jcm h ALA 166 Cb 0.45 -0.18 -0.09 0.00 0.00 0.00 0.00 17.79 17.97 2jcm h ALA 166 CO -0.62 0.44 0.02 0.00 0.00 0.00 0.00 179.25 179.09 2jcm h LEU 168 N 0.14 0.01 -0.47 0.00 3.38 -0.61 0.13 115.31 117.89 2jcm h LEU 168 Ca 0.27 -0.50 0.09 0.00 0.09 0.00 0.00 57.88 57.84 2jcm h LEU 168 Cb 0.41 -0.00 -0.09 0.00 0.09 0.00 0.00 40.66 41.07 2jcm h LEU 168 CO -0.43 0.51 -0.13 0.58 0.09 0.00 0.00 178.44 179.06 2jcm h VAL 169 N -0.48 0.50 -0.13 1.22 2.07 -1.22 -1.48 116.25 116.74 2jcm h VAL 169 Ca 0.00 0.00 0.04 0.00 0.82 0.00 0.00 66.70 67.56 2jcm h VAL 169 Cb 0.51 0.50 -0.05 0.00 -1.52 0.00 0.00 31.29 30.73 2jcm h VAL 169 CO 0.00 0.00 -0.16 -0.78 0.02 0.00 0.00 177.57 176.65 2jcm h ASP 170 N -0.02 -0.49 0.05 0.57 3.58 -1.27 -0.78 116.42 118.06 2jcm h ASP 170 Ca 0.23 0.09 0.01 0.00 0.42 0.00 0.00 57.03 57.77 2jcm h ASP 170 Cb 0.36 0.23 -0.01 0.00 1.72 0.00 0.00 39.33 41.63 2jcm h ASP 170 CO -0.49 -0.20 -0.08 0.15 -2.88 0.00 0.00 179.24 175.74 2jcm h PHE 171 N -0.20 -0.19 -0.51 0.28 3.57 -0.38 -2.16 116.94 117.35 2jcm h PHE 171 Ca 0.09 0.00 -0.10 0.00 3.53 0.00 0.00 57.97 61.50 2jcm h PHE 171 Cb 0.33 0.08 -0.02 0.00 2.79 0.00 0.00 35.95 39.13 2jcm h PHE 171 CO -0.27 -0.12 -0.07 0.74 -2.23 0.00 0.00 178.31 176.36 2jcm h PHE 172 N -0.15 0.99 -0.55 0.41 0.04 -1.28 -1.15 116.94 115.25 2jcm h PHE 172 Ca 0.02 -0.18 0.07 0.00 2.80 0.00 0.00 57.97 60.68 2jcm h PHE 172 Cb 0.17 -0.26 -0.06 0.00 2.20 0.00 0.00 35.95 38.00 2jcm h PHE 172 CO -0.12 0.93 0.22 1.15 -0.60 0.00 0.00 178.31 179.89 2jcm h THR 173 N 0.82 0.84 -0.39 -1.55 2.02 -1.01 -3.19 112.91 110.45 2jcm h THR 173 Ca 0.14 -0.14 0.00 0.00 0.77 0.00 0.00 66.41 67.18 2jcm h THR 173 Cb 0.59 0.39 0.00 0.00 -1.74 0.00 0.00 68.15 67.38 2jcm h THR 173 CO 0.04 0.08 0.00 0.59 0.37 0.00 0.00 175.52 176.59 2jcm n ASN 174 N -4.97 3.47 -4.57 4.18 4.13 -0.82 -4.86 115.26 111.81 2jcm n ASN 174 Ca 0.06 -1.99 -0.41 0.00 1.68 0.00 0.00 54.58 53.92 2jcm n ASN 174 Cb 0.21 -0.25 -0.08 0.00 -1.54 0.00 0.00 39.78 38.13 2jcm n ASN 174 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 2jcm h PRO 176 N 8.35 0.00 0.00 0.00 0.13 -1.89 -1.71 132.00 136.89 2jcm h PRO 176 Ca -0.28 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.85 2jcm h PRO 176 Cb 1.13 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.26 2jcm h PRO 176 CO 0.76 0.00 0.00 0.00 -0.23 0.00 0.00 178.00 178.53 2jcm h ARG 177 N 0.00 0.00 -6.62 0.86 3.08 -1.93 -3.45 114.38 106.33 2jcm h ARG 177 Ca 0.00 0.00 -0.70 0.00 0.07 0.00 0.00 59.98 59.35 2jcm h ARG 177 Cb 0.11 0.00 -0.29 0.00 0.08 0.00 0.00 29.97 29.88 2jcm h ARG 177 CO 0.00 0.00 -0.88 0.71 -1.07 0.00 0.00 179.97 178.73 2jcm s TYR 178 N -3.75 2.35 -0.22 3.04 2.02 -0.64 -4.65 117.35 115.50 2jcm s TYR 178 Ca -0.00 -0.42 -0.07 0.00 -0.37 0.00 0.00 57.07 56.20 2jcm s TYR 178 Cb 0.10 -1.49 -0.04 0.00 -0.40 0.00 0.00 41.96 40.14 2jcm s TYR 178 CO 0.45 0.00 0.07 0.99 -1.57 0.00 0.00 175.55 175.50 2jcm s THR 179 N -0.65 4.59 -0.06 -0.71 2.01 0.31 -4.85 115.64 116.27 2jcm s THR 179 Ca 0.10 -0.09 -0.29 0.00 0.31 0.00 0.00 61.69 61.73 2jcm s THR 179 Cb -0.10 -3.11 -0.02 0.00 0.01 0.00 0.00 72.50 69.28 2jcm s THR 179 CO -0.00 0.39 0.95 -0.44 -0.69 0.00 0.00 174.62 174.83 2jcm s SER 180 N 1.03 7.25 0.50 3.53 0.01 -1.26 -0.59 113.70 124.16 2jcm s SER 180 Ca 0.04 1.52 0.03 0.00 1.31 0.00 0.00 55.95 58.85 2jcm s SER 180 Cb -0.14 -2.54 -0.01 0.00 0.21 0.00 0.00 66.02 63.54 2jcm s SER 180 CO 0.03 -0.33 0.07 0.00 0.41 0.00 0.00 173.24 173.41 2jcm h GLU 182 N 1.32 0.47 -0.16 0.00 4.81 -1.97 -3.08 114.58 115.97 2jcm h GLU 182 Ca -0.43 -0.03 0.00 0.00 -0.13 0.00 0.00 59.36 58.77 2jcm h GLU 182 Cb 1.30 -0.11 0.00 0.00 0.63 0.00 0.00 28.75 30.58 2jcm h GLU 182 CO 0.72 0.31 0.00 0.25 -0.73 0.00 0.00 179.01 179.57 2jcm n THR 183 N -4.93 0.86 -2.77 0.32 -2.24 -1.26 -4.67 114.28 99.58 2jcm n THR 183 Ca 0.09 -0.93 0.00 0.00 -2.27 0.00 0.00 64.05 60.94 2jcm n THR 183 Cb 0.25 0.59 0.00 0.00 -2.10 0.00 0.00 70.33 69.07 2jcm n THR 183 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2jcm n GLY 184 N 0.09 -0.52 3.23 3.38 0.00 -1.17 -1.25 105.19 108.95 2jcm n GLY 184 Ca 0.06 -0.92 -0.30 0.00 0.00 0.00 0.00 46.02 44.86 2jcm n GLY 184 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 2jcm s PHE 185 N -3.27 2.24 -0.16 1.61 0.08 0.13 0.06 117.98 118.67 2jcm s PHE 185 Ca 0.00 -0.68 -0.10 0.00 0.12 0.00 0.00 56.93 56.27 2jcm s PHE 185 Cb 0.00 -1.48 -0.05 0.00 -0.57 0.00 0.00 43.02 40.92 2jcm s PHE 185 CO 0.00 -0.21 0.17 0.21 -0.10 0.00 0.00 175.22 175.29 2jcm s LYS 186 N -0.08 3.96 -0.53 0.44 2.20 0.24 -0.52 119.74 125.46 2jcm s LYS 186 Ca -0.05 -0.11 0.04 0.00 -0.36 0.00 0.00 55.97 55.49 2jcm s LYS 186 Cb -0.13 -3.34 0.16 0.00 -1.51 0.00 0.00 37.83 33.00 2jcm s LYS 186 CO 0.04 0.45 0.35 0.34 -0.36 0.00 0.00 175.35 176.17 2jcm s ASP 187 N -0.11 3.53 1.77 1.43 2.15 -0.14 -0.53 116.67 124.78 2jcm s ASP 187 Ca 0.12 -3.17 0.00 0.00 0.43 0.00 0.00 52.55 49.93 2jcm s ASP 187 Cb -0.12 -1.12 0.00 0.00 -0.30 0.00 0.00 42.92 41.38 2jcm s ASP 187 CO 0.01 -0.18 0.00 0.61 -0.17 0.00 0.00 175.17 175.45 2jcm n GLY 188 N 2.82 1.66 1.50 2.66 0.00 -1.26 -2.34 105.19 110.23 2jcm n GLY 188 Ca 0.17 0.23 0.09 0.00 0.00 0.00 0.00 46.02 46.51 2jcm n GLY 188 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 2jcm n ASP 189 N 11.26 4.42 -4.26 1.61 8.00 -1.26 -4.83 116.55 131.49 2jcm n ASP 189 Ca 0.00 -2.36 -0.33 0.00 0.71 0.00 0.00 54.79 52.82 2jcm n ASP 189 Cb 0.00 -0.55 -0.16 0.00 -0.02 0.00 0.00 41.12 40.39 2jcm n ASP 189 CO 0.00 0.00 0.00 -0.76 -0.39 0.00 0.00 177.20 176.05 2jcm s LEU 190 N -1.64 2.35 -0.22 0.64 1.43 -0.99 -5.11 118.68 115.14 2jcm s LEU 190 Ca 0.48 -0.49 -0.04 0.00 -1.03 0.00 0.00 54.13 53.06 2jcm s LEU 190 Cb 0.30 -1.51 -0.00 0.00 0.03 0.00 0.00 46.19 45.01 2jcm s LEU 190 CO 0.25 0.13 -0.04 0.12 0.23 0.00 0.00 176.35 177.03 2jcm s PHE 191 N 0.54 2.97 -0.42 0.29 5.36 -1.26 -0.96 117.98 124.49 2jcm s PHE 191 Ca -0.12 -1.00 -0.11 0.00 -0.96 0.00 0.00 56.93 54.74 2jcm s PHE 191 Cb -0.16 -2.10 0.07 0.00 -0.34 0.00 0.00 43.02 40.48 2jcm s PHE 191 CO 0.04 -0.57 0.28 1.41 -1.46 0.00 0.00 175.22 174.92 2jcm s MET 192 N 1.46 2.74 0.63 10.12 -2.45 0.32 -4.98 119.30 127.14 2jcm s MET 192 Ca 0.05 -1.35 -0.15 0.00 -1.25 0.00 0.00 55.69 52.99 2jcm s MET 192 Cb -0.14 -3.86 -0.02 0.00 1.25 0.00 0.00 34.83 32.06 2jcm s MET 192 CO -0.03 -0.92 1.07 -1.54 1.05 0.00 0.00 175.02 174.64 2jcm s SER 193 N 2.12 5.57 0.31 1.11 1.04 -1.26 0.20 113.70 122.78 2jcm s SER 193 Ca 0.03 1.81 -0.01 0.00 0.48 0.00 0.00 55.95 58.26 2jcm s SER 193 Cb -0.23 -2.53 0.49 0.00 0.10 0.00 0.00 66.02 63.86 2jcm s SER 193 CO 0.04 -1.32 1.97 1.88 0.98 0.00 0.00 173.24 176.80 2jcm h TYR 194 N 0.12 0.96 -0.25 5.02 0.05 -1.34 -1.64 116.97 119.89 2jcm h TYR 194 Ca -0.46 0.02 0.04 0.00 0.05 0.00 0.00 58.73 58.37 2jcm h TYR 194 Cb 1.22 -0.32 -0.04 0.00 1.01 0.00 0.00 36.73 38.60 2jcm h TYR 194 CO 0.58 0.62 0.02 -0.09 -1.05 0.00 0.00 178.16 178.24 2jcm h ARG 195 N 1.03 0.10 -0.22 4.88 2.43 -1.56 0.34 114.38 121.38 2jcm h ARG 195 Ca 0.28 -0.01 -0.11 0.00 -0.81 0.00 0.00 59.98 59.33 2jcm h ARG 195 Cb -0.09 -0.02 -0.01 0.00 -0.42 0.00 0.00 29.97 29.42 2jcm h ARG 195 CO -0.06 0.07 -0.34 0.66 -1.51 0.00 0.00 179.97 178.79 2jcm h SER 196 N 0.11 0.48 0.16 -3.80 4.64 -1.83 -0.55 113.55 112.76 2jcm h SER 196 Ca 0.12 -0.19 -0.01 0.00 -0.47 0.00 0.00 61.79 61.24 2jcm h SER 196 Cb 0.14 -0.13 0.00 0.00 -0.31 0.00 0.00 62.40 62.09 2jcm h SER 196 CO -0.18 0.79 -0.08 -0.03 -0.87 0.00 0.00 176.83 176.47 2jcm h MET 197 N 0.40 -0.21 -0.50 4.77 1.85 -0.84 -2.23 114.93 118.16 2jcm h MET 197 Ca 0.05 0.01 0.09 0.00 -0.61 0.00 0.00 59.70 59.24 2jcm h MET 197 Cb 0.79 0.05 -0.08 0.00 0.43 0.00 0.00 31.60 32.79 2jcm h MET 197 CO 0.06 -0.07 0.05 0.35 -0.40 0.00 0.00 176.91 176.90 2jcm h PHE 198 N -0.29 0.07 -0.76 1.39 3.57 0.02 -2.13 116.94 118.81 2jcm h PHE 198 Ca -0.02 0.03 0.06 0.00 3.53 0.00 0.00 57.97 61.57 2jcm h PHE 198 Cb 0.23 0.05 -0.06 0.00 2.79 0.00 0.00 35.95 38.95 2jcm h PHE 198 CO -0.04 -0.06 0.45 0.37 -2.23 0.00 0.00 178.31 176.79 2jcm h GLN 199 N 0.18 0.79 -0.80 1.11 5.75 -0.98 -1.16 115.11 120.00 2jcm h GLN 199 Ca 0.26 -0.05 0.07 0.00 -0.15 0.00 0.00 58.65 58.78 2jcm h GLN 199 Cb 0.37 -0.18 -0.06 0.00 1.07 0.00 0.00 27.48 28.68 2jcm h GLN 199 CO -0.37 0.52 0.47 -0.44 -2.65 0.00 0.00 178.83 176.36 2jcm h ASP 200 N 0.81 0.72 -0.14 -0.69 3.32 -0.77 0.96 116.42 120.62 2jcm h ASP 200 Ca 0.34 0.03 -0.06 0.00 0.02 0.00 0.00 57.03 57.35 2jcm h ASP 200 Cb 0.19 -0.12 -0.00 0.00 0.22 0.00 0.00 39.33 39.63 2jcm h ASP 200 CO -0.18 0.45 -0.15 0.58 -1.72 0.00 0.00 179.24 178.21 2jcm h VAL 201 N 0.85 1.35 -0.55 -1.35 2.07 -0.91 -1.35 116.25 116.35 2jcm h VAL 201 Ca 0.36 -1.33 0.02 0.00 0.82 0.00 0.00 66.70 66.58 2jcm h VAL 201 Cb 0.23 1.89 -0.03 0.00 -1.52 0.00 0.00 31.29 31.85 2jcm h VAL 201 CO -0.19 0.39 0.34 -0.09 0.02 0.00 0.00 177.57 178.03 2jcm h ARG 202 N -0.02 0.65 -0.04 1.57 9.65 -1.02 -1.14 114.38 124.04 2jcm h ARG 202 Ca 0.02 -0.04 -0.11 0.00 -1.10 0.00 0.00 59.98 58.75 2jcm h ARG 202 Cb 0.69 -0.15 -0.01 0.00 -1.39 0.00 0.00 29.97 29.11 2jcm h ARG 202 CO 0.04 0.43 -0.51 -0.44 2.80 0.00 0.00 179.97 182.29 2jcm h ASP 203 N 0.67 0.11 0.10 -3.80 3.32 -0.55 -2.12 116.42 114.14 2jcm h ASP 203 Ca 0.22 -0.05 -0.23 0.00 0.02 0.00 0.00 57.03 56.98 2jcm h ASP 203 Cb 0.01 -0.03 0.01 0.00 0.22 0.00 0.00 39.33 39.54 2jcm h ASP 203 CO -0.09 0.60 -0.91 0.00 -1.72 0.00 0.00 179.24 177.12 2jcm h ALA 204 N 1.41 0.30 0.74 3.45 0.00 -0.91 -0.82 119.26 123.42 2jcm h ALA 204 Ca 0.00 -0.67 -0.03 0.00 0.00 0.00 0.00 54.91 54.21 2jcm h ALA 204 Cb 0.92 0.00 0.01 0.00 0.00 0.00 0.00 17.79 18.72 2jcm h ALA 204 CO 0.07 0.73 -0.37 0.28 0.00 0.00 0.00 179.25 179.96 2jcm h VAL 205 N 0.37 0.24 -0.54 0.00 2.07 -1.13 0.16 116.25 117.43 2jcm h VAL 205 Ca -0.08 0.00 0.10 0.00 0.82 0.00 0.00 66.70 67.54 2jcm h VAL 205 Cb 1.54 0.24 -0.11 0.00 -1.52 0.00 0.00 31.29 31.45 2jcm h VAL 205 CO 0.17 0.00 -0.29 0.44 0.02 0.00 0.00 177.57 177.91 2jcm h ASP 206 N -1.01 -1.00 -0.97 0.57 3.32 -1.39 -1.69 116.42 114.25 2jcm h ASP 206 Ca -0.10 0.21 0.07 0.00 0.02 0.00 0.00 57.03 57.23 2jcm h ASP 206 Cb 0.78 0.51 -0.07 0.00 0.22 0.00 0.00 39.33 40.77 2jcm h ASP 206 CO 0.15 -0.29 0.62 -0.25 -1.72 0.00 0.00 179.24 177.76 2jcm h TRP 207 N -0.15 1.14 -0.61 4.55 7.01 -1.03 0.21 115.95 127.07 2jcm h TRP 207 Ca 0.23 0.03 -0.06 0.00 2.11 0.00 0.00 58.89 61.21 2jcm h TRP 207 Cb 0.53 -0.37 -0.03 0.00 -2.10 0.00 0.00 29.16 27.19 2jcm h TRP 207 CO -0.57 0.56 0.16 0.28 -2.79 0.00 0.00 178.44 176.08 2jcm h VAL 208 N 1.10 1.25 -0.16 2.65 2.07 0.18 0.69 116.25 124.03 2jcm h VAL 208 Ca 0.43 -0.88 -0.18 0.00 0.82 0.00 0.00 66.70 66.89 2jcm h VAL 208 Cb 0.23 0.66 -0.00 0.00 -1.52 0.00 0.00 31.29 30.66 2jcm h VAL 208 CO -0.19 0.33 -0.64 0.45 0.02 0.00 0.00 177.57 177.54 2jcm h HIS 209 N 0.88 0.76 0.00 1.57 3.86 -0.53 -3.17 115.15 118.51 2jcm h HIS 209 Ca 0.19 -0.30 -0.44 0.00 -1.16 0.00 0.00 60.37 58.66 2jcm h HIS 209 Cb 0.33 -0.13 -0.07 0.00 1.06 0.00 0.00 27.41 28.60 2jcm h HIS 209 CO 0.02 1.06 -2.43 0.98 0.86 0.00 0.00 177.93 178.43 2jcm n TYR 210 N -3.92 0.10 0.63 2.45 9.36 0.67 -4.68 117.16 121.77 2jcm n TYR 210 Ca -0.04 0.04 0.07 0.00 3.32 0.00 0.00 57.90 61.29 2jcm n TYR 210 Cb 0.66 -1.01 -0.09 0.00 -0.63 0.00 0.00 39.34 38.27 2jcm n TYR 210 CO 0.00 0.00 0.00 1.63 0.22 0.00 0.00 176.86 178.71 2jcm n LYS 211 N -4.23 2.04 0.00 2.98 5.02 0.91 -5.00 118.16 119.88 2jcm n LYS 211 Ca -0.52 -0.01 0.00 0.00 -2.02 0.00 0.00 58.31 55.76 2jcm n LYS 211 Cb 0.87 -1.20 0.00 0.00 -0.02 0.00 0.00 35.03 34.68 2jcm n LYS 211 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 2jcm n GLY 212 N 1.37 1.76 0.77 0.72 0.00 0.20 -4.99 105.19 105.02 2jcm n GLY 212 Ca 0.02 -1.88 0.07 0.00 0.00 0.00 0.00 46.02 44.23 2jcm n GLY 212 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 2jcm n SER 213 N 0.00 3.32 0.07 1.61 3.41 -1.25 -4.71 113.62 116.07 2jcm n SER 213 Ca 0.00 -2.34 -0.13 0.00 -0.26 0.00 0.00 58.87 56.14 2jcm n SER 213 Cb 0.00 -0.35 -0.08 0.00 -0.26 0.00 0.00 64.21 63.52 2jcm n SER 213 CO 0.00 0.00 0.00 0.25 -0.16 0.00 0.00 175.04 175.13 2jcm h LEU 214 N 2.07 -0.11 -0.81 1.04 5.85 -1.87 -2.17 115.31 119.32 2jcm h LEU 214 Ca 0.00 -0.16 0.03 0.00 0.84 0.00 0.00 57.88 58.59 2jcm h LEU 214 Cb 0.99 0.03 -0.05 0.00 0.37 0.00 0.00 40.66 42.00 2jcm h LEU 214 CO 0.08 0.10 0.52 0.11 -0.34 0.00 0.00 178.44 178.91 2jcm h LYS 215 N -0.31 0.99 -0.32 1.25 1.57 -1.83 -0.25 116.57 117.68 2jcm h LYS 215 Ca -0.01 -0.06 -0.03 0.00 -1.87 0.00 0.00 60.65 58.68 2jcm h LYS 215 Cb 0.26 -0.22 -0.01 0.00 0.08 0.00 0.00 32.23 32.33 2jcm h LYS 215 CO 0.02 0.66 0.09 1.49 -0.57 0.00 0.00 179.45 181.14 2jcm h GLU 216 N 1.02 0.51 -0.21 3.15 4.81 -1.87 -1.56 114.58 120.43 2jcm h GLU 216 Ca 0.32 -0.11 -0.11 0.00 -0.13 0.00 0.00 59.36 59.33 2jcm h GLU 216 Cb -0.02 -0.07 -0.01 0.00 0.63 0.00 0.00 28.75 29.28 2jcm h GLU 216 CO -0.10 0.56 -0.33 0.87 -0.73 0.00 0.00 179.01 179.27 2jcm h LYS 217 N 0.36 0.43 0.24 1.92 1.57 -1.11 -1.50 116.57 118.49 2jcm h LYS 217 Ca 0.10 -0.19 -0.01 0.00 -1.87 0.00 0.00 60.65 58.68 2jcm h LYS 217 Cb 0.27 -0.01 0.00 0.00 0.08 0.00 0.00 32.23 32.57 2jcm h LYS 217 CO -0.00 0.71 -0.11 1.15 -0.57 0.00 0.00 179.45 180.63 2jcm h THR 218 N 0.37 0.78 0.00 -0.16 2.02 -0.86 -3.20 112.91 111.86 2jcm h THR 218 Ca 0.04 -0.07 -0.04 0.00 0.77 0.00 0.00 66.41 67.12 2jcm h THR 218 Cb 0.76 0.82 -0.01 0.00 -1.74 0.00 0.00 68.15 67.99 2jcm h THR 218 CO 0.06 0.01 -0.17 0.58 0.37 0.00 0.00 175.52 176.37 2jcm h VAL 219 N -0.35 0.35 -0.00 3.16 2.07 -1.12 -1.46 116.25 118.90 2jcm h VAL 219 Ca -0.03 -1.18 0.00 0.00 0.82 0.00 0.00 66.70 66.31 2jcm h VAL 219 Cb 0.27 1.91 0.00 0.00 -1.52 0.00 0.00 31.29 31.95 2jcm h VAL 219 CO 0.05 0.17 -0.05 -1.84 0.02 0.00 0.00 177.57 175.92 2jcm n GLU 220 N -3.21 0.74 -2.96 1.57 0.28 -0.58 -4.19 120.64 112.29 2jcm n GLU 220 Ca 0.02 -0.17 -0.14 0.00 -0.16 0.00 0.00 57.16 56.70 2jcm n GLU 220 Cb 0.49 -1.50 0.02 0.00 1.43 0.00 0.00 31.44 31.88 2jcm n GLU 220 CO 0.00 0.00 0.00 -1.71 -0.16 0.00 0.00 177.13 175.26 2jcm n ASN 221 N -0.98 -1.04 0.02 -1.84 4.05 -0.57 -5.02 115.26 109.88 2jcm n ASN 221 Ca 0.16 -3.23 -0.01 0.00 0.45 0.00 0.00 54.58 51.95 2jcm n ASN 221 Cb 0.24 0.67 0.26 0.00 1.23 0.00 0.00 39.78 42.18 2jcm n ASN 221 CO 0.00 0.00 0.00 -0.07 -3.05 0.00 0.00 177.26 174.14 2jcm h LEU 222 N 3.39 0.46 -0.96 1.20 3.38 -1.68 -2.13 115.31 118.97 2jcm h LEU 222 Ca -0.02 -0.12 0.03 0.00 0.09 0.00 0.00 57.88 57.87 2jcm h LEU 222 Cb 1.01 -0.12 -0.06 0.00 0.09 0.00 0.00 40.66 41.58 2jcm h LEU 222 CO 0.34 0.62 0.63 -0.33 0.09 0.00 0.00 178.44 179.79 2jcm h GLU 223 N 0.44 1.18 -0.56 1.13 3.07 -1.89 0.55 114.58 118.50 2jcm h GLU 223 Ca 0.08 -0.07 -0.11 0.00 -0.50 0.00 0.00 59.36 58.77 2jcm h GLU 223 Cb 0.49 -0.27 -0.02 0.00 -0.84 0.00 0.00 28.75 28.11 2jcm h GLU 223 CO 0.03 0.78 -0.06 -0.22 -1.40 0.00 0.00 179.01 178.13 2jcm h LYS 224 N 1.21 1.02 0.00 2.33 3.64 -1.77 -3.38 116.57 119.62 2jcm h LYS 224 Ca 0.38 -0.35 0.00 0.00 -1.27 0.00 0.00 60.65 59.41 2jcm h LYS 224 Cb -0.00 -0.08 0.00 0.00 -0.41 0.00 0.00 32.23 31.74 2jcm h LYS 224 CO -0.12 1.04 -1.25 0.66 -2.27 0.00 0.00 179.45 177.51 2jcm n TYR 225 N -4.16 0.00 -3.78 1.91 4.01 -1.05 -4.65 117.16 109.44 2jcm n TYR 225 Ca 0.02 0.00 -0.20 0.00 -0.16 0.00 0.00 57.90 57.56 2jcm n TYR 225 Cb 0.38 -0.18 -0.17 0.00 -0.31 0.00 0.00 39.34 39.05 2jcm n TYR 225 CO 0.00 0.00 0.00 0.08 -0.46 0.00 0.00 176.86 176.48 2jcm s VAL 226 N -2.86 0.14 0.34 -0.72 1.01 0.16 -1.14 120.40 117.33 2jcm s VAL 226 Ca 0.01 0.22 -0.29 0.00 0.00 0.00 0.00 61.98 61.92 2jcm s VAL 226 Cb 0.12 -0.32 -0.11 0.00 0.00 0.00 0.00 36.38 36.08 2jcm s VAL 226 CO 0.70 0.20 1.41 -0.69 0.00 0.00 0.00 175.10 176.72 2jcm s VAL 227 N 1.75 2.38 0.02 2.92 1.01 -0.12 -4.64 120.40 123.72 2jcm s VAL 227 Ca 0.00 0.37 0.04 0.00 0.00 0.00 0.00 61.98 62.40 2jcm s VAL 227 Cb -0.13 -3.24 -0.02 0.00 0.00 0.00 0.00 36.38 33.00 2jcm s VAL 227 CO -0.03 0.09 -0.13 -0.75 0.00 0.00 0.00 175.10 174.27 2jcm s LYS 228 N -1.77 0.98 -0.16 2.72 2.20 -1.26 -4.46 119.74 117.99 2jcm s LYS 228 Ca 0.52 -0.61 -0.05 0.00 -0.36 0.00 0.00 55.97 55.46 2jcm s LYS 228 Cb -0.43 -0.97 0.08 0.00 -1.51 0.00 0.00 37.83 35.00 2jcm s LYS 228 CO 0.57 0.25 0.33 0.34 -0.36 0.00 0.00 175.35 176.47 2jcm s ASP 229 N -0.74 0.15 0.21 1.43 -1.08 -1.26 -4.70 116.67 110.67 2jcm s ASP 229 Ca 0.03 0.70 0.15 0.00 -0.52 0.00 0.00 52.55 52.91 2jcm s ASP 229 Cb -0.06 0.96 0.79 0.00 -1.46 0.00 0.00 42.92 43.14 2jcm s ASP 229 CO 0.00 -0.24 1.47 0.61 0.52 0.00 0.00 175.17 177.53 2jcm n GLY 230 N 5.37 -0.80 0.17 2.66 0.00 -1.26 -2.24 105.19 109.08 2jcm n GLY 230 Ca -0.07 0.12 0.12 0.00 0.00 0.00 0.00 46.02 46.19 2jcm n GLY 230 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2jcm h LYS 231 N 0.00 0.00 -0.42 1.61 1.57 -1.87 -3.36 116.57 114.10 2jcm h LYS 231 Ca 0.00 0.00 0.06 0.00 -1.87 0.00 0.00 60.65 58.84 2jcm h LYS 231 Cb 0.05 0.00 -0.09 0.00 0.08 0.00 0.00 32.23 32.27 2jcm h LYS 231 CO 0.00 0.00 -0.47 1.25 -0.57 0.00 0.00 179.45 179.66 2jcm h LEU 232 N 0.00 -1.56 -1.49 2.94 5.85 -1.82 0.30 115.31 119.53 2jcm h LEU 232 Ca 0.00 0.23 0.00 0.00 0.84 0.00 0.00 57.88 58.95 2jcm h LEU 232 Cb 0.94 0.67 -0.03 0.00 0.37 0.00 0.00 40.66 42.62 2jcm h LEU 232 CO 0.00 -0.38 0.34 1.55 -0.34 0.00 0.00 178.44 179.61 2jcm h PRO 233 N -0.35 0.68 0.49 5.25 0.13 -1.81 -1.50 132.00 134.91 2jcm h PRO 233 Ca 0.12 -0.04 -0.02 0.00 -0.87 0.00 0.00 66.00 65.19 2jcm h PRO 233 Cb 0.59 -0.15 -0.00 0.00 0.13 0.00 0.00 31.00 31.56 2jcm h PRO 233 CO -0.59 0.45 -0.30 1.25 -0.23 0.00 0.00 178.00 178.59 2jcm h LEU 234 N 0.71 -0.75 -0.57 1.56 5.85 -1.26 -0.15 115.31 120.69 2jcm h LEU 234 Ca 0.19 0.04 0.10 0.00 0.84 0.00 0.00 57.88 59.05 2jcm h LEU 234 Cb -0.08 0.22 -0.08 0.00 0.37 0.00 0.00 40.66 41.10 2jcm h LEU 234 CO -0.04 -0.48 0.16 0.25 -0.34 0.00 0.00 178.44 177.99 2jcm h LEU 235 N -0.75 0.09 -0.39 2.25 5.85 -0.58 -0.19 115.31 121.59 2jcm h LEU 235 Ca -0.06 0.09 -0.07 0.00 0.84 0.00 0.00 57.88 58.68 2jcm h LEU 235 Cb 0.62 0.11 -0.01 0.00 0.37 0.00 0.00 40.66 41.74 2jcm h LEU 235 CO 0.06 0.06 -0.04 -0.07 -0.34 0.00 0.00 178.44 178.11 2jcm h LEU 236 N 0.31 0.71 -1.04 2.25 3.38 -1.19 -0.69 115.31 119.04 2jcm h LEU 236 Ca 0.29 -0.34 0.01 0.00 0.09 0.00 0.00 57.88 57.94 2jcm h LEU 236 Cb 0.39 -0.19 -0.05 0.00 0.09 0.00 0.00 40.66 40.90 2jcm h LEU 236 CO -0.34 0.87 0.65 0.77 0.09 0.00 0.00 178.44 180.48 2jcm h SER 237 N 0.52 1.12 -0.45 -0.43 4.64 -0.58 -1.62 113.55 116.75 2jcm h SER 237 Ca 0.10 -0.03 -0.09 0.00 -0.47 0.00 0.00 61.79 61.31 2jcm h SER 237 Cb 0.54 -0.28 -0.01 0.00 -0.31 0.00 0.00 62.40 62.34 2jcm h SER 237 CO 0.03 0.81 -0.06 0.03 -0.87 0.00 0.00 176.83 176.76 2jcm h ARG 238 N 1.32 0.83 -0.91 4.77 3.08 -0.55 -2.79 114.38 120.13 2jcm h ARG 238 Ca 0.36 -0.30 0.06 0.00 0.07 0.00 0.00 59.98 60.18 2jcm h ARG 238 Cb -0.14 -0.06 -0.06 0.00 0.08 0.00 0.00 29.97 29.79 2jcm h ARG 238 CO -0.08 0.92 0.57 0.52 -1.07 0.00 0.00 179.97 180.83 2jcm h MET 239 N 0.67 1.01 0.00 0.04 2.86 -0.79 -1.47 114.93 117.24 2jcm h MET 239 Ca 0.12 -0.06 0.00 0.00 -2.06 0.00 0.00 59.70 57.70 2jcm h MET 239 Cb 0.59 -0.23 0.00 0.00 0.06 0.00 0.00 31.60 32.02 2jcm h MET 239 CO 0.04 0.67 0.00 -0.22 1.06 0.00 0.00 176.91 178.45 2jcm h LYS 240 N 1.04 0.00 0.00 1.72 1.63 -1.10 0.98 116.57 120.83 2jcm h LYS 240 Ca 0.40 0.00 -0.08 0.00 -0.85 0.00 0.00 60.65 60.12 2jcm h LYS 240 Cb 0.18 0.00 -0.01 0.00 -0.60 0.00 0.00 32.23 31.80 2jcm h LYS 240 CO -0.18 0.00 -0.39 0.93 -3.45 0.00 0.00 179.45 176.37 2jcm h GLU 241 N 0.00 0.00 -0.00 1.90 5.08 -1.00 -3.32 114.58 117.23 2jcm h GLU 241 Ca 0.00 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 2jcm h GLU 241 Cb 0.31 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.56 2jcm h GLU 241 CO 0.00 0.39 -0.06 1.33 -1.00 0.00 0.00 179.01 179.67 2jcm n VAL 242 N -3.42 0.00 -3.37 3.13 0.24 -0.46 -5.09 118.33 109.37 2jcm n VAL 242 Ca 0.00 -0.47 0.00 0.00 -2.04 0.00 0.00 64.34 61.83 2jcm n VAL 242 Cb 0.56 1.05 0.00 0.00 -1.47 0.00 0.00 33.84 33.98 2jcm n VAL 242 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 2jcm n GLY 243 N 0.55 1.16 3.76 7.63 0.00 0.21 -4.85 105.19 113.65 2jcm n GLY 243 Ca 0.02 -0.83 -0.34 0.00 0.00 0.00 0.00 46.02 44.87 2jcm n GLY 243 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2jcm s LYS 244 N -1.29 3.06 -0.06 1.61 1.02 0.81 -4.07 119.74 120.82 2jcm s LYS 244 Ca 0.00 -0.44 0.04 0.00 0.02 0.00 0.00 55.97 55.58 2jcm s LYS 244 Cb 0.00 -2.86 -0.02 0.00 -0.52 0.00 0.00 37.83 34.43 2jcm s LYS 244 CO 0.00 0.67 -0.16 0.08 -0.92 0.00 0.00 175.35 175.02 2jcm s VAL 245 N -1.10 2.85 0.03 3.17 1.01 -1.26 -0.56 120.40 124.54 2jcm s VAL 245 Ca 0.20 -0.79 0.00 0.00 0.00 0.00 0.00 61.98 61.39 2jcm s VAL 245 Cb -0.12 -2.11 -0.03 0.00 0.00 0.00 0.00 36.38 34.13 2jcm s VAL 245 CO 0.10 0.58 -0.04 0.72 0.00 0.00 0.00 175.10 176.46 2jcm s PHE 246 N -0.49 0.38 -0.13 5.22 -0.12 -0.32 -0.25 117.98 122.28 2jcm s PHE 246 Ca 0.06 -0.64 -0.02 0.00 -0.05 0.00 0.00 56.93 56.28 2jcm s PHE 246 Cb -0.12 -0.26 -0.02 0.00 -0.63 0.00 0.00 43.02 41.98 2jcm s PHE 246 CO 0.01 -0.21 -0.07 -1.17 -0.05 0.00 0.00 175.22 173.73 2jcm s LEU 247 N -1.80 3.07 -0.22 -1.99 2.96 -0.47 -0.81 118.68 119.41 2jcm s LEU 247 Ca -0.10 -0.16 -0.03 0.00 -0.22 0.00 0.00 54.13 53.61 2jcm s LEU 247 Cb -0.06 -1.71 0.07 0.00 0.50 0.00 0.00 46.19 44.99 2jcm s LEU 247 CO -0.03 0.21 0.08 0.00 -1.32 0.00 0.00 176.35 175.29 2jcm s ALA 248 N 0.08 0.86 0.06 5.97 0.00 -0.21 -0.42 121.76 128.10 2jcm s ALA 248 Ca -0.02 -0.81 0.09 0.00 0.00 0.00 0.00 51.96 51.21 2jcm s ALA 248 Cb -0.14 -1.24 -0.03 0.00 0.00 0.00 0.00 23.12 21.71 2jcm s ALA 248 CO 0.03 -1.33 -0.24 -0.08 0.00 0.00 0.00 175.76 174.14 2jcm s THR 249 N 1.94 1.94 -0.20 0.00 -1.32 -0.23 -4.48 115.64 113.29 2jcm s THR 249 Ca 0.03 -1.39 0.28 0.00 -1.21 0.00 0.00 61.69 59.40 2jcm s THR 249 Cb -0.17 -1.69 0.36 0.00 -1.51 0.00 0.00 72.50 69.50 2jcm s THR 249 CO -0.16 0.23 1.79 0.78 -2.21 0.00 0.00 174.62 175.05 2jcm h ASN 250 N 4.62 0.00 -3.66 8.08 4.21 -1.92 -1.54 115.58 125.37 2jcm h ASN 250 Ca -0.46 0.00 -0.43 0.00 1.21 0.00 0.00 56.30 56.62 2jcm h ASN 250 Cb 1.16 0.00 0.18 0.00 -1.12 0.00 0.00 38.32 38.53 2jcm h ASN 250 CO 0.43 0.00 0.15 -0.44 -1.29 0.00 0.00 177.43 176.28 2jcm s SER 251 N -5.89 1.66 0.49 5.81 0.01 -1.26 -3.84 113.70 110.68 2jcm s SER 251 Ca 0.04 0.90 0.05 0.00 1.31 0.00 0.00 55.95 58.25 2jcm s SER 251 Cb 0.07 -1.35 0.03 0.00 0.21 0.00 0.00 66.02 64.97 2jcm s SER 251 CO 0.60 -3.70 0.68 1.51 0.41 0.00 0.00 173.24 172.75 2jcm s ASP 252 N -3.66 5.42 0.11 2.44 1.47 -1.26 -0.25 116.67 120.96 2jcm s ASP 252 Ca 0.68 -0.29 -0.23 0.00 1.18 0.00 0.00 52.55 53.89 2jcm s ASP 252 Cb -0.14 -0.65 -0.07 0.00 -0.34 0.00 0.00 42.92 41.72 2jcm s ASP 252 CO 0.57 -0.99 1.69 0.22 0.68 0.00 0.00 175.17 177.34 2jcm h TYR 253 N 0.35 -0.26 -0.59 2.11 3.20 -1.96 -0.39 116.97 119.43 2jcm h TYR 253 Ca -0.40 0.01 0.05 0.00 3.14 0.00 0.00 58.73 61.53 2jcm h TYR 253 Cb 1.29 0.12 -0.05 0.00 1.54 0.00 0.00 36.73 39.63 2jcm h TYR 253 CO 0.37 -0.16 0.31 0.87 -1.64 0.00 0.00 178.16 177.91 2jcm h LYS 254 N -0.16 0.57 -0.02 1.82 1.57 -1.96 -0.11 116.57 118.28 2jcm h LYS 254 Ca 0.05 -0.03 -0.01 0.00 -1.87 0.00 0.00 60.65 58.79 2jcm h LYS 254 Cb 0.23 -0.13 -0.00 0.00 0.08 0.00 0.00 32.23 32.41 2jcm h LYS 254 CO -0.13 0.38 -0.02 -0.92 -0.57 0.00 0.00 179.45 178.18 2jcm h TYR 255 N 0.59 0.07 -0.94 -1.35 3.20 -1.95 -2.93 116.97 113.66 2jcm h TYR 255 Ca 0.26 -0.02 0.19 0.00 3.14 0.00 0.00 58.73 62.31 2jcm h TYR 255 Cb 0.16 -0.02 -0.11 0.00 1.54 0.00 0.00 36.73 38.31 2jcm h TYR 255 CO -0.09 0.52 0.52 1.15 -1.64 0.00 0.00 178.16 178.62 2jcm h THR 256 N -0.40 0.64 -0.22 1.81 2.02 -0.81 -1.26 112.91 114.68 2jcm h THR 256 Ca 0.00 -0.21 -0.09 0.00 0.77 0.00 0.00 66.41 66.88 2jcm h THR 256 Cb 0.51 -0.04 -0.00 0.00 -1.74 0.00 0.00 68.15 66.87 2jcm h THR 256 CO 0.01 0.11 -0.21 -0.78 0.37 0.00 0.00 175.52 175.02 2jcm h ASP 257 N 0.63 0.57 -0.51 4.18 3.58 -0.98 0.82 116.42 124.70 2jcm h ASP 257 Ca 0.56 -0.47 -0.01 0.00 0.42 0.00 0.00 57.03 57.53 2jcm h ASP 257 Cb 0.93 -0.16 -0.02 0.00 1.72 0.00 0.00 39.33 41.79 2jcm h ASP 257 CO -0.42 0.93 0.28 0.11 -2.88 0.00 0.00 179.24 177.25 2jcm h LYS 258 N 0.23 0.71 0.23 0.28 1.57 -1.27 -0.72 116.57 117.60 2jcm h LYS 258 Ca 0.04 -0.08 -0.01 0.00 -1.87 0.00 0.00 60.65 58.72 2jcm h LYS 258 Cb 0.76 -0.14 0.00 0.00 0.08 0.00 0.00 32.23 32.94 2jcm h LYS 258 CO 0.05 0.55 -0.11 0.82 -0.57 0.00 0.00 179.45 180.19 2jcm h ILE 259 N 0.68 0.84 -0.80 1.86 1.08 -1.17 -2.72 117.51 117.27 2jcm h ILE 259 Ca 0.18 -0.58 0.00 0.00 -0.39 0.00 0.00 64.86 64.07 2jcm h ILE 259 Cb 0.05 1.17 -0.04 0.00 -3.07 0.00 0.00 36.82 34.93 2jcm h ILE 259 CO -0.03 0.13 0.51 0.24 -0.69 0.00 0.00 178.15 178.30 2jcm h MET 260 N -0.62 1.06 -0.16 2.37 2.86 -0.83 0.11 114.93 119.73 2jcm h MET 260 Ca -0.03 -0.08 -0.01 0.00 -2.06 0.00 0.00 59.70 57.52 2jcm h MET 260 Cb 0.44 -0.23 -0.01 0.00 0.06 0.00 0.00 31.60 31.86 2jcm h MET 260 CO 0.05 0.72 0.06 1.15 1.06 0.00 0.00 176.91 179.95 2jcm h THR 261 N 1.09 1.17 -0.37 2.22 2.02 -1.17 -2.32 112.91 115.55 2jcm h THR 261 Ca 0.29 -0.51 0.08 0.00 0.77 0.00 0.00 66.41 67.03 2jcm h THR 261 Cb -0.09 1.22 -0.07 0.00 -1.74 0.00 0.00 68.15 67.46 2jcm h THR 261 CO -0.06 0.16 -0.11 0.22 0.37 0.00 0.00 175.52 176.10 2jcm h TYR 262 N 0.09 -0.25 -0.07 3.16 3.20 -1.06 -2.14 116.97 119.90 2jcm h TYR 262 Ca 0.05 0.04 0.02 0.00 3.14 0.00 0.00 58.73 61.98 2jcm h TYR 262 Cb 0.20 0.17 -0.00 0.00 1.54 0.00 0.00 36.73 38.63 2jcm h TYR 262 CO -0.01 -0.18 0.14 -0.07 -1.64 0.00 0.00 178.16 176.40 2jcm h LEU 263 N -0.03 0.00 -2.91 2.82 3.38 -0.27 -0.08 115.31 118.23 2jcm h LEU 263 Ca 0.18 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.15 2jcm h LEU 263 Cb 0.30 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.05 2jcm h LEU 263 CO -0.40 0.00 0.00 0.49 0.09 0.00 0.00 178.44 178.62 2jcm n PHE 264 N -3.40 0.37 -2.75 1.13 3.72 -0.98 -4.54 117.46 111.00 2jcm n PHE 264 Ca -0.01 -0.50 -0.43 0.00 -0.05 0.00 0.00 57.45 56.45 2jcm n PHE 264 Cb 0.23 -0.03 -0.00 0.00 -0.94 0.00 0.00 39.48 38.73 2jcm n PHE 264 CO 0.00 0.00 0.00 0.34 -0.05 0.00 0.00 176.76 177.05 2jcm s ASP 265 N -1.01 6.90 0.13 4.37 2.15 -0.04 -4.91 116.67 124.26 2jcm s ASP 265 Ca 0.18 -2.58 0.05 0.00 0.43 0.00 0.00 52.55 50.64 2jcm s ASP 265 Cb 0.10 -2.50 -0.04 0.00 -0.30 0.00 0.00 42.92 40.18 2jcm s ASP 265 CO 0.12 -1.02 -0.12 -0.36 -0.17 0.00 0.00 175.17 173.63 2jcm s PHE 266 N 3.12 1.29 -2.00 -5.34 0.08 -1.26 -5.02 117.98 108.85 2jcm s PHE 266 Ca 0.48 -0.67 0.03 0.00 0.12 0.00 0.00 56.93 56.90 2jcm s PHE 266 Cb 0.00 -0.67 0.21 0.00 -0.57 0.00 0.00 43.02 42.00 2jcm s PHE 266 CO 0.03 0.10 0.55 -0.35 -0.10 0.00 0.00 175.22 175.44 2jcm n PRO 267 N 0.16 0.26 -4.15 0.24 -0.04 -1.26 -4.80 135.00 125.41 2jcm n PRO 267 Ca -0.13 0.00 -0.14 0.00 -0.04 0.00 0.00 63.50 63.20 2jcm n PRO 267 Cb 0.59 -1.20 -0.07 0.00 -0.04 0.00 0.00 33.50 32.77 2jcm n PRO 267 CO 0.00 0.00 0.00 -3.38 -0.04 0.00 0.00 175.50 172.08 2jcm s HIS 268 N -2.00 1.10 0.00 0.54 -3.43 -1.26 -4.37 115.29 105.87 2jcm s HIS 268 Ca 0.05 -1.29 0.00 0.00 -0.80 0.00 0.00 55.06 53.03 2jcm s HIS 268 Cb 0.02 -0.32 0.00 0.00 -1.43 0.00 0.00 32.58 30.85 2jcm s HIS 268 CO 0.04 -0.88 0.00 0.41 -2.00 0.00 0.00 174.74 172.31 2jcm n GLY 269 N -0.44 0.60 0.32 -1.38 0.00 -0.47 -4.25 105.19 99.57 2jcm n GLY 269 Ca 0.02 0.00 0.09 0.00 0.00 0.00 0.00 46.02 46.13 2jcm n GLY 269 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 2jcm h PRO 270 N 0.00 0.60 -5.00 1.61 0.11 -1.82 -3.44 132.00 124.06 2jcm h PRO 270 Ca 0.00 -0.04 -0.32 0.00 0.11 0.00 0.00 66.00 65.75 2jcm h PRO 270 Cb 0.00 -0.14 -0.16 0.00 0.11 0.00 0.00 31.00 30.81 2jcm h PRO 270 CO 0.00 0.40 -0.72 0.15 -0.21 0.00 0.00 178.00 177.62 2jcm s LYS 271 N -5.94 0.93 0.25 1.05 1.02 -1.26 -3.01 119.74 112.78 2jcm s LYS 271 Ca -0.12 -1.28 -0.31 0.00 0.02 0.00 0.00 55.97 54.28 2jcm s LYS 271 Cb 0.23 -0.56 -0.13 0.00 -0.52 0.00 0.00 37.83 36.85 2jcm s LYS 271 CO 0.78 0.08 1.34 -2.30 -0.92 0.00 0.00 175.35 174.33 2jcm n PRO 272 N 0.24 1.93 0.00 -1.68 -0.02 -1.26 -2.24 135.00 131.96 2jcm n PRO 272 Ca -0.14 0.68 0.00 0.00 -2.02 0.00 0.00 63.50 62.03 2jcm n PRO 272 Cb 0.59 -2.30 0.00 0.00 -0.02 0.00 0.00 33.50 31.77 2jcm n PRO 272 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2jcm n GLY 273 N 1.89 2.44 3.88 -1.23 0.00 -1.26 -5.04 105.19 105.88 2jcm n GLY 273 Ca 0.11 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.81 2jcm n GLY 273 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2jcm s SER 274 N -1.42 6.57 0.31 1.61 1.04 -0.95 -4.99 113.70 115.88 2jcm s SER 274 Ca 0.00 0.84 -0.29 0.00 0.48 0.00 0.00 55.95 56.98 2jcm s SER 274 Cb 0.00 -2.19 -0.13 0.00 0.10 0.00 0.00 66.02 63.80 2jcm s SER 274 CO 0.00 -0.08 1.35 -1.20 0.98 0.00 0.00 173.24 174.29 2jcm n SER 275 N -0.24 2.85 -4.77 7.02 7.64 -1.26 -1.37 113.62 123.49 2jcm n SER 275 Ca -0.00 1.19 -0.40 0.00 1.01 0.00 0.00 58.87 60.66 2jcm n SER 275 Cb 0.53 -1.48 0.00 0.00 -1.01 0.00 0.00 64.21 62.25 2jcm n SER 275 CO 0.00 0.00 0.00 -2.28 -3.01 0.00 0.00 175.04 169.75 2jcm s HIS 276 N -0.75 2.68 0.09 1.43 2.46 -1.26 -2.43 115.29 117.52 2jcm s HIS 276 Ca 0.59 1.32 0.03 0.00 0.47 0.00 0.00 55.06 57.47 2jcm s HIS 276 Cb -0.58 -3.82 -0.03 0.00 -0.13 0.00 0.00 32.58 28.02 2jcm s HIS 276 CO 0.58 -2.50 -0.09 -0.98 -2.47 0.00 0.00 174.74 169.27 2jcm s ARG 277 N -2.23 0.79 0.53 2.88 1.70 -1.26 -4.86 118.95 116.50 2jcm s ARG 277 Ca 0.57 -1.11 -0.21 0.00 -0.47 0.00 0.00 55.73 54.50 2jcm s ARG 277 Cb -0.42 -0.45 -0.05 0.00 -0.57 0.00 0.00 34.95 33.46 2jcm s ARG 277 CO 0.54 0.06 1.26 -2.14 -1.08 0.00 0.00 175.30 173.95 2jcm s PRO 278 N -2.72 3.29 0.47 3.89 0.02 -1.26 -4.86 135.00 133.83 2jcm s PRO 278 Ca 0.04 1.99 0.24 0.00 0.02 0.00 0.00 61.00 63.29 2jcm s PRO 278 Cb -0.03 -2.22 1.27 0.00 0.02 0.00 0.00 34.50 33.54 2jcm s PRO 278 CO -0.01 -0.99 1.85 0.11 -0.33 0.00 0.00 177.00 177.64 2jcm h TRP 279 N 1.50 0.32 0.00 6.54 5.08 -1.93 -1.43 115.95 126.02 2jcm h TRP 279 Ca -0.50 0.01 -0.02 0.00 1.08 0.00 0.00 58.89 59.45 2jcm h TRP 279 Cb 1.28 -0.10 -0.00 0.00 -3.00 0.00 0.00 29.16 27.34 2jcm h TRP 279 CO 0.48 0.07 -0.11 1.96 -1.28 0.00 0.00 178.44 179.56 2jcm h GLN 280 N 0.22 0.00 0.00 0.12 7.50 -1.96 -2.59 115.11 118.40 2jcm h GLN 280 Ca 0.48 0.00 -0.03 0.00 0.50 0.00 0.00 58.65 59.60 2jcm h GLN 280 Cb 1.49 0.00 -0.00 0.00 0.05 0.00 0.00 27.48 29.01 2jcm h GLN 280 CO -0.12 0.11 -0.14 0.66 -1.50 0.00 0.00 178.83 177.84 2jcm h SER 281 N 0.00 0.00 0.40 1.46 4.64 -1.61 -2.61 113.55 115.84 2jcm h SER 281 Ca -0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 2jcm h SER 281 Cb 0.51 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.60 2jcm h SER 281 CO 0.01 0.14 0.00 -1.22 -0.87 0.00 0.00 176.83 174.90 2jcm n TYR 282 N -3.54 0.00 -5.08 4.77 4.01 -0.97 -4.84 117.16 111.51 2jcm n TYR 282 Ca -0.01 0.00 -0.29 0.00 -0.16 0.00 0.00 57.90 57.43 2jcm n TYR 282 Cb 0.29 -0.21 -0.16 0.00 -0.31 0.00 0.00 39.34 38.94 2jcm n TYR 282 CO 0.00 0.00 0.00 -0.06 -0.46 0.00 0.00 176.86 176.34 2jcm s PHE 283 N -2.42 2.16 -0.50 -0.72 0.08 -0.98 -4.73 117.98 110.86 2jcm s PHE 283 Ca 0.32 -0.68 0.24 0.00 0.12 0.00 0.00 56.93 56.93 2jcm s PHE 283 Cb 0.20 -1.44 0.40 0.00 -0.57 0.00 0.00 43.02 41.61 2jcm s PHE 283 CO 0.41 -0.23 1.54 -0.44 -0.10 0.00 0.00 175.22 176.40 2jcm h ASP 284 N 6.25 0.00 -3.09 1.36 3.32 -0.92 -3.45 116.42 119.89 2jcm h ASP 284 Ca -0.30 -0.02 -0.04 0.00 0.02 0.00 0.00 57.03 56.68 2jcm h ASP 284 Cb 1.18 0.00 -0.24 0.00 0.22 0.00 0.00 39.33 40.50 2jcm h ASP 284 CO 0.47 0.01 -0.14 -0.22 -1.72 0.00 0.00 179.24 177.65 2jcm s LEU 285 N -5.46 -0.54 -0.12 1.55 0.20 -1.20 -5.02 118.68 108.08 2jcm s LEU 285 Ca 0.07 1.22 0.02 0.00 0.69 0.00 0.00 54.13 56.12 2jcm s LEU 285 Cb 0.08 1.88 0.01 0.00 -0.43 0.00 0.00 46.19 47.74 2jcm s LEU 285 CO 0.68 -0.22 -0.17 -0.63 -0.29 0.00 0.00 176.35 175.72 2jcm s ILE 286 N 1.56 1.64 -0.05 6.68 1.01 -1.26 -1.37 121.20 129.40 2jcm s ILE 286 Ca -0.10 -0.72 0.01 0.00 0.00 0.00 0.00 60.65 59.84 2jcm s ILE 286 Cb -0.07 -1.49 0.02 0.00 0.01 0.00 0.00 42.46 40.94 2jcm s ILE 286 CO -0.16 0.47 -0.04 -0.22 0.00 0.00 0.00 174.94 174.98 2jcm s LEU 287 N 1.00 1.19 0.54 2.97 0.20 0.43 -1.49 118.68 123.52 2jcm s LEU 287 Ca -0.05 -0.14 0.05 0.00 0.69 0.00 0.00 54.13 54.67 2jcm s LEU 287 Cb -0.15 -0.49 0.03 0.00 -0.43 0.00 0.00 46.19 45.15 2jcm s LEU 287 CO -0.03 -0.08 0.33 0.68 -0.29 0.00 0.00 176.35 176.96 2jcm s VAL 288 N 1.17 1.56 -1.61 1.68 -7.23 -0.55 -1.07 120.40 114.34 2jcm s VAL 288 Ca -0.07 -1.58 -0.08 0.00 -1.81 0.00 0.00 61.98 58.44 2jcm s VAL 288 Cb -0.14 -2.14 0.07 0.00 0.56 0.00 0.00 36.38 34.73 2jcm s VAL 288 CO -0.01 0.00 0.33 0.47 -0.31 0.00 0.00 175.10 175.57 2jcm n ASP 289 N -1.68 -0.49 0.07 4.85 8.00 0.66 -1.65 116.55 126.31 2jcm n ASP 289 Ca -0.05 -1.18 0.03 0.00 0.71 0.00 0.00 54.79 54.30 2jcm n ASP 289 Cb 0.65 -2.07 0.40 0.00 -0.02 0.00 0.00 41.12 40.08 2jcm n ASP 289 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 2jcm h ALA 290 N 0.83 1.58 -6.23 2.24 0.00 -1.45 -2.95 119.26 113.28 2jcm h ALA 290 Ca -0.63 -0.14 -0.44 0.00 0.00 0.00 0.00 54.91 53.70 2jcm h ALA 290 Cb 1.39 -0.11 0.04 0.00 0.00 0.00 0.00 17.79 19.10 2jcm h ALA 290 CO 0.74 0.32 -0.88 0.54 0.00 0.00 0.00 179.25 179.97 2jcm n ARG 291 N -4.35 -3.21 -2.46 0.00 1.74 -1.26 -4.22 116.66 102.89 2jcm n ARG 291 Ca 0.01 0.51 -0.39 0.00 -0.77 0.00 0.00 57.85 57.21 2jcm n ARG 291 Cb 0.19 -4.69 -0.04 0.00 -1.02 0.00 0.00 32.46 26.90 2jcm n ARG 291 CO 0.00 0.00 0.00 0.15 -1.52 0.00 0.00 177.63 176.26 2jcm s LYS 292 N -6.09 4.37 0.34 5.56 1.02 -1.26 -1.17 119.74 122.50 2jcm s LYS 292 Ca 0.16 1.71 0.25 0.00 0.02 0.00 0.00 55.97 58.11 2jcm s LYS 292 Cb -0.05 -2.87 0.62 0.00 -0.52 0.00 0.00 37.83 35.00 2jcm s LYS 292 CO 0.85 -0.01 1.70 -1.00 -0.92 0.00 0.00 175.35 175.97 2jcm h PRO 293 N 3.14 0.00 -0.90 -1.68 0.13 -1.94 -3.46 132.00 127.29 2jcm h PRO 293 Ca -0.48 0.00 0.25 0.00 -0.87 0.00 0.00 66.00 64.90 2jcm h PRO 293 Cb 1.22 0.00 -0.04 0.00 0.13 0.00 0.00 31.00 32.30 2jcm h PRO 293 CO 0.64 0.00 0.63 1.25 -0.23 0.00 0.00 178.00 180.30 2jcm h LEU 294 N 0.00 0.10 -1.15 1.56 5.85 -1.72 -0.03 115.31 119.92 2jcm h LEU 294 Ca 0.00 0.01 0.21 0.00 0.84 0.00 0.00 57.88 58.94 2jcm h LEU 294 Cb 0.84 -0.01 -0.10 0.00 0.37 0.00 0.00 40.66 41.77 2jcm h LEU 294 CO 0.00 0.04 0.62 0.15 -0.34 0.00 0.00 178.44 178.90 2jcm h PHE 295 N 0.10 0.92 0.00 1.25 3.57 -1.32 0.58 116.94 122.04 2jcm h PHE 295 Ca 0.44 0.03 0.00 0.00 3.53 0.00 0.00 57.97 61.97 2jcm h PHE 295 Cb 1.59 -0.27 0.00 0.00 2.79 0.00 0.00 35.95 40.05 2jcm h PHE 295 CO -0.00 0.19 0.00 1.19 -2.23 0.00 0.00 178.31 177.46 2jcm n PHE 296 N -4.70 0.00 0.00 0.41 3.72 -0.03 -1.17 117.46 115.69 2jcm n PHE 296 Ca 0.23 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.63 2jcm n PHE 296 Cb 0.65 0.00 0.00 0.00 -0.94 0.00 0.00 39.48 39.19 2jcm n PHE 296 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 2jcm n GLY 297 N 0.67 2.36 0.29 1.37 0.00 0.12 -4.76 105.19 105.23 2jcm n GLY 297 Ca 0.14 -0.11 0.12 0.00 0.00 0.00 0.00 46.02 46.16 2jcm n GLY 297 CO 0.00 0.00 0.00 -2.09 0.00 0.00 0.00 173.32 171.23 2jcm h GLU 298 N 0.00 0.00 0.00 1.61 4.57 -1.85 -3.44 114.58 115.48 2jcm h GLU 298 Ca 0.00 0.00 0.00 0.00 -1.18 0.00 0.00 59.36 58.18 2jcm h GLU 298 Cb 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 28.59 2jcm h GLU 298 CO 0.00 0.00 0.00 0.41 -1.18 0.00 0.00 179.01 178.24 2jcm n GLY 299 N -1.49 0.26 3.04 1.92 0.00 -0.71 -4.81 105.19 103.41 2jcm n GLY 299 Ca -0.01 -0.92 -0.24 0.00 0.00 0.00 0.00 46.02 44.84 2jcm n GLY 299 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 2jcm n THR 300 N 0.00 0.00 -1.95 2.61 -2.24 -0.53 -4.87 114.28 107.30 2jcm n THR 300 Ca 0.00 -2.12 -0.41 0.00 -2.27 0.00 0.00 64.05 59.25 2jcm n THR 300 Cb 0.00 0.68 -0.02 0.00 -2.10 0.00 0.00 70.33 68.88 2jcm n THR 300 CO 0.00 0.00 0.00 -0.69 -0.57 0.00 0.00 175.07 173.81 2jcm s VAL 301 N -2.84 2.52 -0.16 2.28 1.01 -1.26 -2.24 120.40 119.71 2jcm s VAL 301 Ca 0.14 0.43 -0.29 0.00 0.00 0.00 0.00 61.98 62.26 2jcm s VAL 301 Cb 0.01 -3.28 -0.02 0.00 0.00 0.00 0.00 36.38 33.09 2jcm s VAL 301 CO 0.10 0.07 1.39 -0.22 0.00 0.00 0.00 175.10 176.43 2jcm s LEU 302 N -0.34 4.15 0.26 3.92 2.96 -1.26 -2.51 118.68 125.87 2jcm s LEU 302 Ca 0.61 1.76 0.10 0.00 -0.22 0.00 0.00 54.13 56.38 2jcm s LEU 302 Cb -0.43 -3.54 -0.05 0.00 0.50 0.00 0.00 46.19 42.67 2jcm s LEU 302 CO 0.44 -0.88 -0.09 -0.13 -1.32 0.00 0.00 176.35 174.37 2jcm s ARG 303 N 3.81 2.02 -0.12 1.98 1.81 0.38 -0.18 118.95 128.65 2jcm s ARG 303 Ca 0.61 -1.54 0.00 0.00 -1.72 0.00 0.00 55.73 53.08 2jcm s ARG 303 Cb -0.24 -2.01 -0.02 0.00 -0.45 0.00 0.00 34.95 32.23 2jcm s ARG 303 CO 0.20 0.36 -0.12 -1.14 -0.68 0.00 0.00 175.30 173.92 2jcm s GLN 304 N -3.50 3.23 0.03 3.54 0.74 -1.26 -0.73 119.66 121.70 2jcm s GLN 304 Ca 0.30 -0.67 -0.29 0.00 0.05 0.00 0.00 55.36 54.75 2jcm s GLN 304 Cb -0.06 -2.61 -0.04 0.00 1.10 0.00 0.00 33.01 31.40 2jcm s GLN 304 CO 0.17 0.31 0.93 0.08 -0.55 0.00 0.00 175.29 176.23 2jcm s VAL 305 N 0.12 4.77 -0.74 1.34 1.01 -0.31 -0.89 120.40 125.69 2jcm s VAL 305 Ca -0.06 1.97 -0.27 0.00 0.00 0.00 0.00 61.98 63.62 2jcm s VAL 305 Cb -0.15 -4.28 0.03 0.00 0.00 0.00 0.00 36.38 31.98 2jcm s VAL 305 CO 0.04 0.23 1.31 -0.62 0.00 0.00 0.00 175.10 176.06 2jcm s ASP 306 N 0.62 6.13 0.56 3.32 -1.08 0.14 -4.62 116.67 121.73 2jcm s ASP 306 Ca 0.48 -0.45 0.32 0.00 -0.52 0.00 0.00 52.55 52.39 2jcm s ASP 306 Cb -0.21 -2.56 1.61 0.00 -1.46 0.00 0.00 42.92 40.30 2jcm s ASP 306 CO 0.27 -1.85 2.10 0.71 0.52 0.00 0.00 175.17 176.92 2jcm h THR 307 N 6.08 0.31 0.06 1.71 1.35 -1.95 0.37 112.91 120.84 2jcm h THR 307 Ca -0.27 -0.45 -0.00 0.00 -0.55 0.00 0.00 66.41 65.14 2jcm h THR 307 Cb 1.05 1.34 0.00 0.00 -1.73 0.00 0.00 68.15 68.81 2jcm h THR 307 CO 1.28 0.07 -0.03 0.11 -0.25 0.00 0.00 175.52 176.70 2jcm h LYS 308 N 0.00 -0.08 0.00 4.72 1.57 -1.95 -3.37 116.57 117.47 2jcm h LYS 308 Ca -0.00 0.01 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 2jcm h LYS 308 Cb 0.33 0.02 0.00 0.00 0.08 0.00 0.00 32.23 32.66 2jcm h LYS 308 CO 0.01 0.33 -0.99 0.25 -0.57 0.00 0.00 179.45 178.48 2jcm n THR 309 N -4.93 0.57 -0.98 -0.16 -2.24 -0.97 -4.95 114.28 100.62 2jcm n THR 309 Ca -0.08 -0.51 0.00 0.00 -2.27 0.00 0.00 64.05 61.18 2jcm n THR 309 Cb 0.23 -0.29 0.00 0.00 -2.10 0.00 0.00 70.33 68.17 2jcm n THR 309 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2jcm n GLY 310 N 1.20 0.79 3.95 3.38 0.00 0.13 -5.04 105.19 109.60 2jcm n GLY 310 Ca 0.00 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.80 2jcm n GLY 310 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2jcm s LYS 311 N -0.02 3.33 0.25 1.61 1.02 -1.23 -4.75 119.74 119.95 2jcm s LYS 311 Ca 0.00 -0.51 -0.30 0.00 0.02 0.00 0.00 55.97 55.18 2jcm s LYS 311 Cb 0.00 -2.69 -0.09 0.00 -0.52 0.00 0.00 37.83 34.53 2jcm s LYS 311 CO 0.00 0.08 0.95 -0.51 -0.92 0.00 0.00 175.35 174.94 2jcm s LEU 312 N -4.31 4.62 0.72 3.17 1.43 -1.26 0.25 118.68 123.31 2jcm s LEU 312 Ca 0.42 1.95 -0.14 0.00 -1.03 0.00 0.00 54.13 55.33 2jcm s LEU 312 Cb -0.10 -3.64 0.04 0.00 0.03 0.00 0.00 46.19 42.52 2jcm s LEU 312 CO 0.35 0.13 1.16 -0.54 0.23 0.00 0.00 176.35 177.68 2jcm s LYS 313 N -1.25 2.27 -0.03 1.70 1.02 -0.07 -4.80 119.74 118.58 2jcm s LYS 313 Ca 0.42 1.59 -0.28 0.00 0.02 0.00 0.00 55.97 57.72 2jcm s LYS 313 Cb -0.26 -1.87 -0.03 0.00 -0.52 0.00 0.00 37.83 35.15 2jcm s LYS 313 CO 0.32 -1.69 0.88 0.42 -0.92 0.00 0.00 175.35 174.36 2jcm s ILE 314 N -2.21 4.93 0.00 2.17 -1.09 -1.26 -4.71 121.20 119.03 2jcm s ILE 314 Ca 0.70 1.84 0.00 0.00 -2.23 0.00 0.00 60.65 60.97 2jcm s ILE 314 Cb -0.25 -4.22 0.00 0.00 -1.58 0.00 0.00 42.46 36.41 2jcm s ILE 314 CO 0.46 0.18 0.00 0.61 -1.23 0.00 0.00 174.94 174.96 2jcm n GLY 315 N 2.99 2.42 3.73 6.18 0.00 -1.26 -5.00 105.19 114.25 2jcm n GLY 315 Ca 0.04 -1.99 -0.41 0.00 0.00 0.00 0.00 46.02 43.66 2jcm n GLY 315 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2jcm s THR 316 N -2.62 4.27 -0.16 2.61 2.01 -1.26 -4.66 115.64 115.82 2jcm s THR 316 Ca 0.00 1.93 -0.28 0.00 0.31 0.00 0.00 61.69 63.65 2jcm s THR 316 Cb 0.00 -4.23 -0.01 0.00 0.01 0.00 0.00 72.50 68.27 2jcm s THR 316 CO 0.00 0.32 0.94 -0.47 -0.69 0.00 0.00 174.62 174.72 2jcm s TYR 317 N -0.17 3.43 -0.54 4.92 5.04 0.74 -4.93 117.35 125.85 2jcm s TYR 317 Ca 0.47 1.43 0.06 0.00 -2.44 0.00 0.00 57.07 56.59 2jcm s TYR 317 Cb -0.25 -3.14 0.17 0.00 0.35 0.00 0.00 41.96 39.09 2jcm s TYR 317 CO 0.32 -0.29 1.13 0.25 -1.34 0.00 0.00 175.55 175.61 2jcm n THR 318 N 4.81 0.96 -2.42 4.34 -2.24 -1.26 -4.85 114.28 113.63 2jcm n THR 318 Ca 0.08 -0.98 -0.23 0.00 -2.27 0.00 0.00 64.05 60.64 2jcm n THR 318 Cb 0.48 0.52 0.13 0.00 -2.10 0.00 0.00 70.33 69.37 2jcm n THR 318 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2jcm n GLY 319 N 0.09 0.15 3.99 3.38 0.00 -1.26 -5.12 105.19 106.42 2jcm n GLY 319 Ca 0.06 -1.95 -0.23 0.00 0.00 0.00 0.00 46.02 43.91 2jcm n GLY 319 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2jcm s PRO 320 N -5.15 1.98 -0.08 1.61 0.04 -1.26 -5.02 135.00 127.12 2jcm s PRO 320 Ca 0.65 -1.02 -0.30 0.00 0.04 0.00 0.00 61.00 60.36 2jcm s PRO 320 Cb -0.03 -2.39 -0.08 0.00 0.04 0.00 0.00 34.50 32.04 2jcm s PRO 320 CO 0.44 -1.19 2.07 -0.11 0.04 0.00 0.00 177.00 178.24 2jcm n LEU 321 N -2.65 3.69 -4.67 -3.56 7.94 -1.26 -4.99 117.00 111.50 2jcm n LEU 321 Ca 0.13 0.63 -0.27 0.00 -1.11 0.00 0.00 56.01 55.39 2jcm n LEU 321 Cb 0.60 -1.51 -0.08 0.00 0.53 0.00 0.00 43.42 42.96 2jcm n LEU 321 CO 0.43 -0.18 -0.33 -1.10 -1.11 0.00 0.00 177.39 175.10 2jcm s GLN 322 N 5.19 2.43 0.26 1.96 -0.21 -1.26 -5.10 119.66 122.93 2jcm s GLN 322 Ca 0.95 -1.06 -0.31 0.00 0.02 0.00 0.00 55.36 54.96 2jcm s GLN 322 Cb -0.44 -2.39 -0.13 0.00 1.00 0.00 0.00 33.01 31.05 2jcm s GLN 322 CO 0.41 0.47 1.39 1.58 -2.12 0.00 0.00 175.29 177.01 2jcm n HIS 323 N -0.02 2.19 -0.99 0.91 -0.00 -1.26 -3.23 115.22 112.83 2jcm n HIS 323 Ca -0.10 0.45 0.00 0.00 -0.00 0.00 0.00 57.72 58.07 2jcm n HIS 323 Cb 0.55 -2.45 0.00 0.00 -0.00 0.00 0.00 29.99 28.08 2jcm n HIS 323 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.34 176.75 2jcm n GLY 324 N 1.89 0.85 3.81 1.57 0.00 -1.26 -5.02 105.19 107.02 2jcm n GLY 324 Ca 0.10 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.76 2jcm n GLY 324 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 173.32 171.82 2jcm s ILE 325 N -3.41 4.44 -0.10 -0.61 2.07 -1.20 -5.02 121.20 117.37 2jcm s ILE 325 Ca 0.00 1.46 0.02 0.00 -1.41 0.00 0.00 60.65 60.72 2jcm s ILE 325 Cb 0.00 -3.86 0.01 0.00 0.13 0.00 0.00 42.46 38.74 2jcm s ILE 325 CO 0.00 0.09 -0.16 -0.69 -1.91 0.00 0.00 174.94 172.27 2jcm s VAL 326 N -1.67 1.52 0.38 4.00 1.01 -1.26 -4.53 120.40 119.85 2jcm s VAL 326 Ca 0.48 -0.67 0.01 0.00 0.00 0.00 0.00 61.98 61.81 2jcm s VAL 326 Cb -0.16 -1.37 -0.02 0.00 0.00 0.00 0.00 36.38 34.83 2jcm s VAL 326 CO 0.21 0.44 0.58 -0.31 0.00 0.00 0.00 175.10 176.02 2jcm s TYR 327 N 0.82 3.35 -0.04 5.22 2.02 -0.55 -1.16 117.35 127.01 2jcm s TYR 327 Ca -0.10 0.23 -0.00 0.00 -0.37 0.00 0.00 57.07 56.83 2jcm s TYR 327 Cb -0.16 -2.05 0.03 0.00 -0.40 0.00 0.00 41.96 39.38 2jcm s TYR 327 CO 0.01 -0.06 0.01 0.45 -1.57 0.00 0.00 175.55 174.39 2jcm s SER 328 N -4.12 0.70 0.28 2.29 0.15 0.09 -1.48 113.70 111.61 2jcm s SER 328 Ca 0.43 -0.02 0.00 0.00 0.70 0.00 0.00 55.95 57.07 2jcm s SER 328 Cb -0.10 -0.24 0.00 0.00 -1.71 0.00 0.00 66.02 63.97 2jcm s SER 328 CO 0.36 -0.14 0.00 0.61 1.20 0.00 0.00 173.24 175.27 2jcm n GLY 329 N 4.46 0.70 7.00 9.45 0.00 -0.66 -0.47 105.19 125.67 2jcm n GLY 329 Ca -0.20 -1.17 0.00 0.00 0.00 0.00 0.00 46.02 44.65 2jcm n GLY 329 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2jcm n GLY 330 N 0.00 0.55 3.48 -0.02 0.00 -0.95 -4.72 105.19 103.52 2jcm n GLY 330 Ca 0.00 -0.79 -0.10 0.00 0.00 0.00 0.00 46.02 45.13 2jcm n GLY 330 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2jcm s SER 331 N -4.00 0.03 0.42 1.61 1.04 -1.26 -1.45 113.70 110.09 2jcm s SER 331 Ca 0.00 -1.08 0.14 0.00 0.48 0.00 0.00 55.95 55.48 2jcm s SER 331 Cb 0.00 0.54 1.01 0.00 0.10 0.00 0.00 66.02 67.66 2jcm s SER 331 CO 0.00 -1.07 1.96 0.77 0.98 0.00 0.00 173.24 175.88 2jcm h SER 332 N 2.34 0.41 -0.22 7.02 4.64 -1.43 -1.34 113.55 124.97 2jcm h SER 332 Ca -0.29 0.01 -0.02 0.00 -0.47 0.00 0.00 61.79 61.02 2jcm h SER 332 Cb 1.25 -0.07 -0.02 0.00 -0.31 0.00 0.00 62.40 63.25 2jcm h SER 332 CO 0.40 0.24 0.08 0.44 -0.87 0.00 0.00 176.83 177.12 2jcm h ASP 333 N 0.45 0.36 -0.49 4.97 3.32 -1.90 -2.05 116.42 121.08 2jcm h ASP 333 Ca 0.31 -0.04 0.10 0.00 0.02 0.00 0.00 57.03 57.42 2jcm h ASP 333 Cb 0.61 -0.09 -0.09 0.00 0.22 0.00 0.00 39.33 39.98 2jcm h ASP 333 CO -0.09 0.36 -0.08 0.74 -1.72 0.00 0.00 179.24 178.45 2jcm h THR 334 N 0.40 0.55 0.26 0.35 2.02 -1.64 0.21 112.91 115.06 2jcm h THR 334 Ca 0.10 -0.01 -0.01 0.00 0.77 0.00 0.00 66.41 67.25 2jcm h THR 334 Cb 0.14 0.51 0.00 0.00 -1.74 0.00 0.00 68.15 67.06 2jcm h THR 334 CO -0.01 0.01 -0.13 0.40 0.37 0.00 0.00 175.52 176.17 2jcm h ILE 335 N 0.04 0.77 0.21 3.11 5.03 -1.44 -0.83 117.51 124.39 2jcm h ILE 335 Ca 0.24 -0.15 0.00 0.00 -0.12 0.00 0.00 64.86 64.83 2jcm h ILE 335 Cb 0.37 0.85 -0.01 0.00 -3.03 0.00 0.00 36.82 35.00 2jcm h ILE 335 CO -0.47 0.03 -0.19 0.00 -0.68 0.00 0.00 178.15 176.84 2jcm h ASP 337 N -0.42 0.01 0.89 0.00 3.32 -0.61 0.63 116.42 120.24 2jcm h ASP 337 Ca -0.00 -0.08 -0.06 0.00 0.02 0.00 0.00 57.03 56.91 2jcm h ASP 337 Cb 0.39 -0.00 -0.01 0.00 0.22 0.00 0.00 39.33 39.93 2jcm h ASP 337 CO -0.03 0.08 -0.27 -0.07 -1.72 0.00 0.00 179.24 177.23 2jcm h LEU 338 N -0.07 0.00 -2.20 1.55 3.38 -1.09 -2.46 115.31 114.43 2jcm h LEU 338 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 2jcm h LEU 338 Cb 0.08 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.83 2jcm h LEU 338 CO -0.00 0.27 0.00 0.18 0.09 0.00 0.00 178.44 178.98 2jcm n LEU 339 N -3.44 3.12 -3.59 1.67 4.77 -0.61 -4.91 117.00 114.01 2jcm n LEU 339 Ca -0.00 -1.40 -0.26 0.00 -0.03 0.00 0.00 56.01 54.32 2jcm n LEU 339 Cb 0.45 -0.17 0.05 0.00 -2.33 0.00 0.00 43.42 41.42 2jcm n LEU 339 CO 0.34 0.65 -0.05 0.61 -1.33 0.00 0.00 177.39 177.61 2jcm n GLY 340 N 1.25 -0.91 3.22 -0.72 0.00 0.09 -5.00 105.19 103.13 2jcm n GLY 340 Ca 0.16 0.43 -0.14 0.00 0.00 0.00 0.00 46.02 46.47 2jcm n GLY 340 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2jcm s ALA 341 N -3.49 1.31 0.23 4.61 0.00 -0.49 -5.04 121.76 118.88 2jcm s ALA 341 Ca 0.39 -1.39 0.07 0.00 0.00 0.00 0.00 51.96 51.03 2jcm s ALA 341 Cb -0.11 0.05 -0.04 0.00 0.00 0.00 0.00 23.12 23.02 2jcm s ALA 341 CO 0.83 -0.09 0.10 0.15 0.00 0.00 0.00 175.76 176.75 2jcm s LYS 342 N -3.48 2.68 0.30 0.00 -0.14 -1.26 -4.59 119.74 113.25 2jcm s LYS 342 Ca 0.13 -1.11 0.05 0.00 -1.36 0.00 0.00 55.97 53.67 2jcm s LYS 342 Cb 0.01 -2.45 0.68 0.00 -1.68 0.00 0.00 37.83 34.40 2jcm s LYS 342 CO -0.00 0.42 1.81 0.78 -0.76 0.00 0.00 175.35 177.59 2jcm h GLY 343 N 1.97 1.67 2.00 -3.33 0.00 -1.84 0.66 103.07 104.19 2jcm h GLY 343 Ca -0.47 -0.38 0.00 0.00 0.00 0.00 0.00 47.33 46.48 2jcm h GLY 343 CO 0.61 0.04 0.00 0.28 0.00 0.00 0.00 176.54 177.46 2jcm n LYS 344 N -4.68 0.02 0.00 4.80 5.02 -1.22 -1.90 118.16 120.19 2jcm n LYS 344 Ca 0.21 0.18 0.13 0.00 -2.02 0.00 0.00 58.31 56.82 2jcm n LYS 344 Cb 0.49 -1.53 0.49 0.00 -0.02 0.00 0.00 35.03 34.46 2jcm n LYS 344 CO 0.00 0.00 0.00 -0.25 -0.52 0.00 0.00 177.40 176.63 2jcm n ASP 345 N -1.57 0.31 -4.59 4.39 8.00 0.22 -4.74 116.55 118.58 2jcm n ASP 345 Ca 0.05 -0.08 -0.35 0.00 0.71 0.00 0.00 54.79 55.12 2jcm n ASP 345 Cb 0.23 -0.12 -0.10 0.00 -0.02 0.00 0.00 41.12 41.11 2jcm n ASP 345 CO 0.00 0.00 0.00 -0.63 -0.39 0.00 0.00 177.20 176.18 2jcm s ILE 346 N -2.84 4.79 -0.39 0.53 1.01 -0.80 -0.06 121.20 123.44 2jcm s ILE 346 Ca 0.18 -0.03 -0.13 0.00 0.00 0.00 0.00 60.65 60.67 2jcm s ILE 346 Cb 0.19 -3.19 0.02 0.00 0.01 0.00 0.00 42.46 39.48 2jcm s ILE 346 CO 0.57 0.40 0.25 -0.22 0.00 0.00 0.00 174.94 175.94 2jcm s LEU 347 N 0.85 4.87 -0.13 2.97 2.96 -0.03 -1.27 118.68 128.89 2jcm s LEU 347 Ca 0.04 -0.87 -0.13 0.00 -0.22 0.00 0.00 54.13 52.95 2jcm s LEU 347 Cb -0.13 -2.10 -0.05 0.00 0.50 0.00 0.00 46.19 44.41 2jcm s LEU 347 CO 0.02 -0.39 0.29 -0.47 -1.32 0.00 0.00 176.35 174.48 2jcm s TYR 348 N 1.64 3.52 -0.17 5.38 5.04 -0.05 -0.65 117.35 132.05 2jcm s TYR 348 Ca 0.04 0.65 -0.00 0.00 -2.44 0.00 0.00 57.07 55.31 2jcm s TYR 348 Cb -0.19 -2.28 0.00 0.00 0.35 0.00 0.00 41.96 39.84 2jcm s TYR 348 CO 0.09 0.36 -0.14 0.42 -1.34 0.00 0.00 175.55 174.94 2jcm s ILE 349 N 0.05 2.68 0.10 3.14 1.01 -0.12 -0.90 121.20 127.16 2jcm s ILE 349 Ca 0.17 -0.75 -0.26 0.00 0.00 0.00 0.00 60.65 59.81 2jcm s ILE 349 Cb -0.13 -2.15 0.08 0.00 0.01 0.00 0.00 42.46 40.27 2jcm s ILE 349 CO 0.05 0.50 0.97 -0.83 0.00 0.00 0.00 174.94 175.64 2jcm s GLY 350 N 1.00 -0.30 0.00 6.18 0.00 -0.87 -4.46 107.32 108.87 2jcm s GLY 350 Ca -0.02 0.39 0.15 0.00 0.00 0.00 0.00 44.72 45.24 2jcm s GLY 350 CO -0.03 0.09 0.66 2.09 0.00 0.00 0.00 173.10 175.92 2jcm n ASP 351 N -0.42 0.76 -4.52 1.64 5.75 -1.26 -0.69 116.55 117.81 2jcm n ASP 351 Ca -0.07 -0.88 -0.43 0.00 -0.01 0.00 0.00 54.79 53.40 2jcm n ASP 351 Cb 0.61 0.98 -0.05 0.00 -1.03 0.00 0.00 41.12 41.63 2jcm n ASP 351 CO 0.00 0.00 0.00 -2.28 -0.11 0.00 0.00 177.20 174.81 2jcm s HIS 352 N -2.44 2.96 0.29 2.11 2.46 -1.26 -4.86 115.29 114.55 2jcm s HIS 352 Ca 0.06 -0.03 -0.00 0.00 0.47 0.00 0.00 55.06 55.56 2jcm s HIS 352 Cb 0.12 -3.69 0.49 0.00 -0.13 0.00 0.00 32.58 29.37 2jcm s HIS 352 CO 0.63 -1.06 1.91 0.97 -2.47 0.00 0.00 174.74 174.71 2jcm h ILE 353 N 5.96 1.09 0.00 0.89 6.09 -1.91 -1.60 117.51 128.03 2jcm h ILE 353 Ca -0.26 -0.37 -0.00 0.00 -1.37 0.00 0.00 64.86 62.86 2jcm h ILE 353 Cb 1.09 -0.08 -0.00 0.00 0.47 0.00 0.00 36.82 38.29 2jcm h ILE 353 CO 0.98 0.20 -0.11 0.15 -3.07 0.00 0.00 178.15 176.30 2jcm h PHE 354 N 1.08 0.00 0.00 2.19 3.57 -1.94 0.66 116.94 122.50 2jcm h PHE 354 Ca 0.39 0.00 -0.16 0.00 3.53 0.00 0.00 57.97 61.73 2jcm h PHE 354 Cb 0.15 0.00 -0.03 0.00 2.79 0.00 0.00 35.95 38.87 2jcm h PHE 354 CO -0.00 0.11 -0.92 0.78 -2.23 0.00 0.00 178.31 176.06 2jcm h GLY 355 N -1.00 0.00 0.39 2.40 0.00 -1.93 -1.64 103.07 101.29 2jcm h GLY 355 Ca -0.01 0.00 -0.36 0.00 0.00 0.00 0.00 47.33 46.96 2jcm h GLY 355 CO -0.00 0.00 -2.03 1.22 0.00 0.00 0.00 176.54 175.72 2jcm n ASP 356 N -3.19 2.06 -0.06 0.19 8.00 -0.62 -4.26 116.55 118.66 2jcm n ASP 356 Ca -0.02 0.17 -0.08 0.00 0.71 0.00 0.00 54.79 55.57 2jcm n ASP 356 Cb 0.84 -0.79 -0.03 0.00 -0.02 0.00 0.00 41.12 41.13 2jcm n ASP 356 CO 0.00 0.00 0.00 -0.38 -0.39 0.00 0.00 177.20 176.43 2jcm n ILE 357 N -3.58 1.42 0.07 0.53 2.08 -1.08 -3.74 119.36 115.06 2jcm n ILE 357 Ca -0.36 0.17 -0.12 0.00 0.56 0.00 0.00 62.75 63.01 2jcm n ILE 357 Cb 0.99 -2.15 -0.05 0.00 -0.75 0.00 0.00 39.64 37.68 2jcm n ILE 357 CO 0.00 0.00 0.00 0.25 0.56 0.00 0.00 176.55 177.36 2jcm h LEU 358 N -0.76 -0.90 -0.53 1.39 6.46 -0.87 -0.91 115.31 119.18 2jcm h LEU 358 Ca -0.03 0.12 -0.03 0.00 -0.12 0.00 0.00 57.88 57.81 2jcm h LEU 358 Cb 0.80 0.36 -0.02 0.00 -0.73 0.00 0.00 40.66 41.07 2jcm h LEU 358 CO -0.02 -0.37 0.20 0.11 -0.62 0.00 0.00 178.44 177.73 2jcm h LYS 359 N -0.47 0.80 -0.55 1.25 1.79 -1.54 -0.25 116.57 117.61 2jcm h LYS 359 Ca 0.06 -0.15 -0.04 0.00 -2.18 0.00 0.00 60.65 58.33 2jcm h LYS 359 Cb 0.54 -0.13 -0.02 0.00 -1.58 0.00 0.00 32.23 31.04 2jcm h LYS 359 CO -0.24 0.72 0.17 0.66 -1.08 0.00 0.00 179.45 179.67 2jcm h SER 360 N 0.72 0.79 0.09 0.86 4.64 -1.62 -0.42 113.55 118.62 2jcm h SER 360 Ca 0.18 -0.21 -0.00 0.00 -0.47 0.00 0.00 61.79 61.28 2jcm h SER 360 Cb 0.22 -0.21 0.00 0.00 -0.31 0.00 0.00 62.40 62.11 2jcm h SER 360 CO -0.01 0.79 -0.04 0.50 -0.87 0.00 0.00 176.83 177.20 2jcm h LYS 361 N 0.76 -0.11 -0.05 4.77 1.63 -0.99 -1.68 116.57 120.89 2jcm h LYS 361 Ca 0.18 0.01 -0.22 0.00 -0.85 0.00 0.00 60.65 59.76 2jcm h LYS 361 Cb 0.28 0.03 0.01 0.00 -0.60 0.00 0.00 32.23 31.94 2jcm h LYS 361 CO -0.01 0.00 -0.87 0.87 -3.45 0.00 0.00 179.45 176.00 2jcm h LYS 362 N -0.20 0.53 0.02 1.90 1.57 -0.98 -2.25 116.57 117.17 2jcm h LYS 362 Ca -0.01 -0.51 -0.27 0.00 -1.87 0.00 0.00 60.65 57.99 2jcm h LYS 362 Cb 0.17 0.13 -0.04 0.00 0.08 0.00 0.00 32.23 32.57 2jcm h LYS 362 CO 0.02 1.14 -1.44 0.00 -0.57 0.00 0.00 179.45 178.60 2jcm h ARG 363 N 0.33 0.05 0.00 3.15 2.47 -1.18 -3.42 114.38 115.78 2jcm h ARG 363 Ca -0.07 -0.08 0.00 0.00 -1.26 0.00 0.00 59.98 58.57 2jcm h ARG 363 Cb 1.49 0.03 0.00 0.00 -1.65 0.00 0.00 29.97 29.84 2jcm h ARG 363 CO 0.16 0.79 -0.04 1.04 0.56 0.00 0.00 179.97 182.48 2jcm n GLN 364 N -3.23 3.21 -2.30 0.04 1.13 -0.70 -5.02 117.38 110.50 2jcm n GLN 364 Ca -0.11 0.00 -0.15 0.00 -1.94 0.00 0.00 57.00 54.80 2jcm n GLN 364 Cb 1.01 -0.28 -0.01 0.00 0.11 0.00 0.00 30.24 31.08 2jcm n GLN 364 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 2jcm n GLY 365 N 0.52 -0.23 3.75 1.08 0.00 -0.77 -4.61 105.19 104.93 2jcm n GLY 365 Ca 0.00 -0.26 -0.32 0.00 0.00 0.00 0.00 46.02 45.44 2jcm n GLY 365 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 2jcm s TRP 366 N -2.74 2.41 0.28 1.61 0.52 -1.02 -3.43 118.94 116.57 2jcm s TRP 366 Ca 0.01 1.59 -0.17 0.00 0.02 0.00 0.00 56.10 57.55 2jcm s TRP 366 Cb -0.00 -3.18 -0.09 0.00 -1.15 0.00 0.00 33.47 29.05 2jcm s TRP 366 CO 0.01 -1.98 0.72 1.03 0.02 0.00 0.00 176.95 176.75 2jcm s ARG 367 N -4.48 4.09 -0.01 4.98 1.81 -0.40 -4.41 118.95 120.54 2jcm s ARG 367 Ca 0.65 0.73 0.04 0.00 -1.72 0.00 0.00 55.73 55.43 2jcm s ARG 367 Cb -0.20 -2.62 -0.01 0.00 -0.45 0.00 0.00 34.95 31.67 2jcm s ARG 367 CO 0.50 0.26 -0.14 0.95 -0.68 0.00 0.00 175.30 176.19 2jcm s THR 368 N -1.79 1.08 -0.11 0.02 -4.23 -1.26 -0.87 115.64 108.47 2jcm s THR 368 Ca 0.49 -0.61 -0.00 0.00 -1.18 0.00 0.00 61.69 60.39 2jcm s THR 368 Cb -0.13 -0.91 0.02 0.00 1.34 0.00 0.00 72.50 72.83 2jcm s THR 368 CO 0.19 0.29 -0.08 0.12 -0.54 0.00 0.00 174.62 174.60 2jcm s PHE 369 N -0.35 1.52 -0.19 3.99 5.36 -0.08 -1.55 117.98 126.67 2jcm s PHE 369 Ca 0.05 -0.76 -0.09 0.00 -0.96 0.00 0.00 56.93 55.17 2jcm s PHE 369 Cb -0.05 -1.25 -0.05 0.00 -0.34 0.00 0.00 43.02 41.33 2jcm s PHE 369 CO -0.00 -0.52 0.10 -1.17 -1.46 0.00 0.00 175.22 172.17 2jcm s LEU 370 N 1.67 4.05 -0.08 6.12 2.96 -0.52 -2.05 118.68 130.83 2jcm s LEU 370 Ca 0.05 0.17 -0.21 0.00 -0.22 0.00 0.00 54.13 53.92 2jcm s LEU 370 Cb -0.13 -2.04 -0.04 0.00 0.50 0.00 0.00 46.19 44.49 2jcm s LEU 370 CO -0.08 0.18 0.60 -0.69 -1.32 0.00 0.00 176.35 175.05 2jcm s VAL 371 N 0.33 5.09 -0.56 1.68 1.01 0.13 -1.98 120.40 126.11 2jcm s VAL 371 Ca 0.06 1.24 0.04 0.00 0.00 0.00 0.00 61.98 63.32 2jcm s VAL 371 Cb -0.12 -3.94 0.15 0.00 0.00 0.00 0.00 36.38 32.47 2jcm s VAL 371 CO -0.01 0.29 0.34 -0.63 0.00 0.00 0.00 175.10 175.09 2jcm s ILE 372 N 0.66 2.30 0.35 2.22 1.01 0.12 -4.33 121.20 123.52 2jcm s ILE 372 Ca 0.32 -3.44 0.08 0.00 0.00 0.00 0.00 60.65 57.61 2jcm s ILE 372 Cb -0.17 -2.57 0.32 0.00 0.01 0.00 0.00 42.46 40.05 2jcm s ILE 372 CO 0.15 -0.92 1.88 -0.65 0.00 0.00 0.00 174.94 175.40 2jcm h PRO 373 N 6.12 0.71 0.00 2.79 0.11 -1.83 0.11 132.00 140.01 2jcm h PRO 373 Ca 0.03 -0.04 0.00 0.00 0.11 0.00 0.00 66.00 66.10 2jcm h PRO 373 Cb 0.85 -0.16 0.00 0.00 0.11 0.00 0.00 31.00 31.80 2jcm h PRO 373 CO 0.64 0.47 0.01 0.93 -0.21 0.00 0.00 178.00 179.84 2jcm h GLU 374 N 0.74 0.00 -0.71 1.05 3.07 -1.92 -2.99 114.58 113.81 2jcm h GLU 374 Ca 0.44 0.00 0.03 0.00 -0.50 0.00 0.00 59.36 59.32 2jcm h GLU 374 Cb 0.64 0.00 -0.04 0.00 -0.84 0.00 0.00 28.75 28.51 2jcm h GLU 374 CO -0.20 0.00 0.47 1.25 -1.40 0.00 0.00 179.01 179.13 2jcm h LEU 375 N 0.00 0.76 -2.04 1.33 5.85 -1.11 -0.08 115.31 120.02 2jcm h LEU 375 Ca 0.00 -0.01 0.04 0.00 0.84 0.00 0.00 57.88 58.75 2jcm h LEU 375 Cb 0.02 -0.18 -0.01 0.00 0.37 0.00 0.00 40.66 40.86 2jcm h LEU 375 CO 0.00 0.53 0.35 0.00 -0.34 0.00 0.00 178.44 178.98 2jcm h ALA 376 N 1.58 1.60 0.00 1.25 0.00 -1.69 -0.80 119.26 121.20 2jcm h ALA 376 Ca 0.28 -0.00 -0.09 0.00 0.00 0.00 0.00 54.91 55.09 2jcm h ALA 376 Cb 0.02 0.01 -0.02 0.00 0.00 0.00 0.00 17.79 17.80 2jcm h ALA 376 CO -0.07 -0.42 -1.34 0.94 0.00 0.00 0.00 179.25 178.36 2jcm n GLN 377 N -3.22 2.98 0.09 0.00 -0.06 -0.99 -4.47 117.38 111.71 2jcm n GLN 377 Ca 0.01 0.00 0.07 0.00 -2.00 0.00 0.00 57.00 55.08 2jcm n GLN 377 Cb 0.44 -1.13 0.52 0.00 -4.06 0.00 0.00 30.24 26.01 2jcm n GLN 377 CO 0.00 0.00 0.00 0.93 -0.20 0.00 0.00 177.06 177.79 2jcm h GLU 378 N 0.00 0.31 -0.35 3.69 4.39 -0.65 -2.70 114.58 119.28 2jcm h GLU 378 Ca -0.13 -0.02 -0.14 0.00 0.34 0.00 0.00 59.36 59.40 2jcm h GLU 378 Cb 1.30 -0.07 -0.01 0.00 -0.10 0.00 0.00 28.75 29.87 2jcm h GLU 378 CO 0.01 0.21 -0.34 -0.07 -1.16 0.00 0.00 179.01 177.65 2jcm h LEU 379 N 0.32 0.90 -0.89 1.33 3.38 -1.40 -2.01 115.31 116.95 2jcm h LEU 379 Ca 0.11 -0.47 -0.01 0.00 0.09 0.00 0.00 57.88 57.61 2jcm h LEU 379 Cb 0.04 -0.25 -0.04 0.00 0.09 0.00 0.00 40.66 40.49 2jcm h LEU 379 CO -0.02 1.18 0.54 0.45 0.09 0.00 0.00 178.44 180.68 2jcm h HIS 380 N 0.63 1.18 -0.44 1.13 3.86 -1.71 -2.35 115.15 117.46 2jcm h HIS 380 Ca 0.06 -0.00 -0.04 0.00 -1.16 0.00 0.00 60.37 59.22 2jcm h HIS 380 Cb 0.93 -0.39 -0.02 0.00 1.06 0.00 0.00 27.41 28.99 2jcm h HIS 380 CO 0.07 0.79 0.12 0.28 0.86 0.00 0.00 177.93 180.04 2jcm h VAL 381 N 1.23 1.23 -0.90 2.45 2.07 -1.45 -1.50 116.25 119.38 2jcm h VAL 381 Ca 0.32 -0.78 -0.01 0.00 0.82 0.00 0.00 66.70 67.05 2jcm h VAL 381 Cb -0.05 0.91 -0.04 0.00 -1.52 0.00 0.00 31.29 30.59 2jcm h VAL 381 CO -0.06 0.28 0.53 -0.25 0.02 0.00 0.00 177.57 178.09 2jcm h TRP 382 N 0.57 1.19 0.36 1.57 2.91 -1.18 -0.11 115.95 121.26 2jcm h TRP 382 Ca 0.14 -0.01 -0.02 0.00 1.13 0.00 0.00 58.89 60.13 2jcm h TRP 382 Cb 0.30 -0.39 0.00 0.00 -0.51 0.00 0.00 29.16 28.56 2jcm h TRP 382 CO 0.02 0.80 -0.18 0.00 -1.03 0.00 0.00 178.44 178.05 2jcm h THR 383 N 1.24 0.26 -0.52 2.65 1.03 -1.41 -2.83 112.91 113.32 2jcm h THR 383 Ca 0.32 -0.70 0.03 0.00 -0.01 0.00 0.00 66.41 66.05 2jcm h THR 383 Cb -0.04 0.42 -0.04 0.00 -1.07 0.00 0.00 68.15 67.42 2jcm h THR 383 CO -0.06 0.06 0.31 -0.78 -0.01 0.00 0.00 175.52 175.04 2jcm h ASP 384 N -1.06 0.49 -1.00 0.00 3.58 -1.25 -2.27 116.42 114.91 2jcm h ASP 384 Ca -0.05 0.01 -0.62 0.00 0.42 0.00 0.00 57.03 56.79 2jcm h ASP 384 Cb 0.48 -0.09 -0.30 0.00 1.72 0.00 0.00 39.33 41.14 2jcm h ASP 384 CO 0.08 0.34 0.80 0.29 -2.88 0.00 0.00 179.24 177.87 2jcm n LYS 385 N -4.80 2.54 0.27 0.28 4.76 -0.06 -4.46 118.16 116.68 2jcm n LYS 385 Ca 0.04 -3.20 0.15 0.00 -2.87 0.00 0.00 58.31 52.44 2jcm n LYS 385 Cb 0.09 -2.25 0.75 0.00 -1.84 0.00 0.00 35.03 31.78 2jcm n LYS 385 CO 0.00 0.00 0.00 0.66 -1.37 0.00 0.00 177.40 176.69 2jcm h SER 386 N 1.65 0.00 0.33 4.39 4.64 -1.14 -3.16 113.55 120.26 2jcm h SER 386 Ca 0.62 0.00 -0.00 0.00 -0.47 0.00 0.00 61.79 61.94 2jcm h SER 386 Cb 1.53 0.00 -0.03 0.00 -0.31 0.00 0.00 62.40 63.59 2jcm h SER 386 CO 1.42 0.09 -0.52 0.77 -0.87 0.00 0.00 176.83 177.72 2jcm h SER 387 N 0.00 -1.49 -0.49 4.97 4.64 -1.83 -0.01 113.55 119.34 2jcm h SER 387 Ca -0.00 0.14 0.08 0.00 -0.47 0.00 0.00 61.79 61.54 2jcm h SER 387 Cb 0.40 0.52 -0.07 0.00 -0.31 0.00 0.00 62.40 62.94 2jcm h SER 387 CO 0.01 -0.62 0.08 -0.07 -0.87 0.00 0.00 176.83 175.36 2jcm h LEU 388 N -0.90 -0.03 -0.69 5.97 3.38 -1.92 0.36 115.31 121.48 2jcm h LEU 388 Ca -0.04 0.09 -0.08 0.00 0.09 0.00 0.00 57.88 57.95 2jcm h LEU 388 Cb 0.83 0.13 -0.03 0.00 0.09 0.00 0.00 40.66 41.68 2jcm h LEU 388 CO -0.16 0.01 0.13 0.15 0.09 0.00 0.00 178.44 178.66 2jcm h PHE 389 N 0.21 1.19 -0.41 1.13 3.57 -1.57 0.36 116.94 121.43 2jcm h PHE 389 Ca 0.24 -0.16 -0.01 0.00 3.53 0.00 0.00 57.97 61.58 2jcm h PHE 389 Cb 0.33 -0.33 -0.02 0.00 2.79 0.00 0.00 35.95 38.72 2jcm h PHE 389 CO -0.24 0.99 0.23 0.93 -2.23 0.00 0.00 178.31 177.99 2jcm h GLU 390 N 1.06 0.57 -0.44 1.11 5.08 -0.57 0.44 114.58 121.82 2jcm h GLU 390 Ca 0.21 -0.06 0.05 0.00 -1.00 0.00 0.00 59.36 58.56 2jcm h GLU 390 Cb 0.42 -0.11 -0.05 0.00 0.50 0.00 0.00 28.75 29.51 2jcm h GLU 390 CO 0.01 0.45 0.18 1.49 -1.00 0.00 0.00 179.01 180.14 2jcm h GLU 391 N 0.54 0.36 0.22 2.33 4.81 0.16 0.13 114.58 123.13 2jcm h GLU 391 Ca 0.15 -0.02 -0.01 0.00 -0.13 0.00 0.00 59.36 59.34 2jcm h GLU 391 Cb 0.04 -0.08 0.00 0.00 0.63 0.00 0.00 28.75 29.34 2jcm h GLU 391 CO -0.02 0.24 -0.10 1.25 -0.73 0.00 0.00 179.01 179.64 2jcm h LEU 392 N 0.37 -0.25 -0.94 1.64 5.85 -0.66 -0.13 115.31 121.20 2jcm h LEU 392 Ca 0.20 -0.11 0.17 0.00 0.84 0.00 0.00 57.88 58.98 2jcm h LEU 392 Cb 0.17 0.06 -0.17 0.00 0.37 0.00 0.00 40.66 41.10 2jcm h LEU 392 CO -0.18 -0.04 -0.31 1.56 -0.34 0.00 0.00 178.44 179.12 2jcm h GLN 393 N -0.44 -0.02 0.00 1.25 4.20 0.03 -0.90 115.11 119.23 2jcm h GLN 393 Ca -0.03 0.00 -0.09 0.00 0.06 0.00 0.00 58.65 58.60 2jcm h GLN 393 Cb 0.34 0.00 -0.01 0.00 0.30 0.00 0.00 27.48 28.11 2jcm h GLN 393 CO 0.05 -0.01 -0.41 0.77 -0.67 0.00 0.00 178.83 178.56 2jcm h SER 394 N -0.02 0.00 1.10 1.46 0.02 -0.75 -3.02 113.55 112.34 2jcm h SER 394 Ca 0.39 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.34 2jcm h SER 394 Cb 0.64 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.18 2jcm h SER 394 CO -0.95 0.41 0.00 0.18 -1.14 0.00 0.00 176.83 175.32 2jcm n LEU 395 N -3.56 0.29 0.09 5.07 4.77 -0.08 -3.08 117.00 120.49 2jcm n LEU 395 Ca -0.00 0.53 0.07 0.00 -0.03 0.00 0.00 56.01 56.58 2jcm n LEU 395 Cb 0.53 -0.45 -0.02 0.00 -2.33 0.00 0.00 43.42 41.15 2jcm n LEU 395 CO 0.38 -0.10 -0.02 0.44 -1.33 0.00 0.00 177.39 176.76 2jcm h ASP 396 N 0.00 0.00 0.52 -1.43 3.32 -1.28 -3.35 116.42 114.20 2jcm h ASP 396 Ca 0.00 0.00 -0.29 0.00 0.02 0.00 0.00 57.03 56.76 2jcm h ASP 396 Cb 0.55 0.00 -0.05 0.00 0.22 0.00 0.00 39.33 40.05 2jcm h ASP 396 CO 0.00 0.23 -1.66 0.40 -1.72 0.00 0.00 179.24 176.49 2jcm h ILE 397 N 0.00 0.91 -0.06 0.35 2.04 -1.61 -3.34 117.51 115.81 2jcm h ILE 397 Ca -0.06 -2.75 -0.11 0.00 1.00 0.00 0.00 64.86 62.94 2jcm h ILE 397 Cb 1.23 2.46 -0.01 0.00 -0.74 0.00 0.00 36.82 39.75 2jcm h ILE 397 CO 0.02 0.54 -0.46 0.15 0.00 0.00 0.00 178.15 178.40 2jcm h PHE 398 N 0.00 0.17 -0.23 1.37 3.57 -1.70 -1.08 116.94 119.05 2jcm h PHE 398 Ca -0.27 -0.05 -0.01 0.00 3.53 0.00 0.00 57.97 61.17 2jcm h PHE 398 Cb 2.00 -0.04 -0.01 0.00 2.79 0.00 0.00 35.95 40.69 2jcm h PHE 398 CO 0.00 0.58 0.02 1.28 -2.23 0.00 0.00 178.31 177.96 2jcm n LEU 399 N -3.99 2.94 0.00 0.59 4.32 -1.26 -5.15 117.00 114.46 2jcm n LEU 399 Ca -0.02 -1.49 0.00 0.00 -0.02 0.00 0.00 56.01 54.48 2jcm n LEU 399 Cb 0.50 -0.58 0.00 0.00 -1.62 0.00 0.00 43.42 41.72 2jcm n LEU 399 CO 0.41 0.42 0.26 0.00 -1.22 0.00 0.00 177.39 177.27 2jcm n ALA 400 N 0.21 1.09 0.05 -1.18 0.00 -0.41 -5.08 120.51 115.20 2jcm n ALA 400 Ca 0.12 -0.53 0.00 0.00 0.00 0.00 0.00 53.44 53.03 2jcm n ALA 400 Cb 0.64 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.09 2jcm n ALA 400 CO 0.00 0.00 0.00 0.94 0.00 0.00 0.00 177.50 178.44 2jcm n GLN 420 N -0.08 0.00 0.15 0.00 7.27 -1.26 -5.07 117.38 118.39 2jcm n GLN 420 Ca 0.00 0.00 0.04 0.00 0.07 0.00 0.00 57.00 57.11 2jcm n GLN 420 Cb 0.42 0.00 0.05 0.00 2.41 0.00 0.00 30.24 33.12 2jcm n GLN 420 CO 0.00 0.00 0.00 -0.09 0.07 0.00 0.00 177.06 177.04 2jcm h ARG 421 N 0.00 0.00 0.12 3.69 2.43 -2.02 -3.13 114.38 115.47 2jcm h ARG 421 Ca 0.00 0.00 -0.28 0.00 -0.81 0.00 0.00 59.98 58.89 2jcm h ARG 421 Cb 0.00 0.00 0.01 0.00 -0.42 0.00 0.00 29.97 29.56 2jcm h ARG 421 CO 0.00 0.44 -1.21 -0.09 -1.51 0.00 0.00 179.97 177.60 2jcm h ARG 422 N 0.00 0.38 -0.44 0.20 9.65 -2.01 -2.22 114.38 119.95 2jcm h ARG 422 Ca -0.00 -0.57 0.06 0.00 -1.10 0.00 0.00 59.98 58.37 2jcm h ARG 422 Cb 1.33 0.20 -0.05 0.00 -1.39 0.00 0.00 29.97 30.06 2jcm h ARG 422 CO 0.06 1.24 0.13 0.82 2.80 0.00 0.00 179.97 185.02 2jcm h ILE 423 N 0.14 0.83 -0.48 1.20 2.04 -1.93 -1.47 117.51 117.86 2jcm h ILE 423 Ca -0.15 -0.10 -0.07 0.00 1.00 0.00 0.00 64.86 65.54 2jcm h ILE 423 Cb 1.90 0.52 -0.02 0.00 -0.74 0.00 0.00 36.82 38.49 2jcm h ILE 423 CO 0.21 0.05 0.01 0.11 0.00 0.00 0.00 178.15 178.53 2jcm h LYS 424 N 0.29 0.84 -0.33 2.37 1.57 -1.56 -1.89 116.57 117.85 2jcm h LYS 424 Ca 0.21 -0.26 -0.12 0.00 -1.87 0.00 0.00 60.65 58.60 2jcm h LYS 424 Cb 0.22 -0.08 -0.01 0.00 0.08 0.00 0.00 32.23 32.44 2jcm h LYS 424 CO -0.23 0.88 -0.30 -0.22 -0.57 0.00 0.00 179.45 179.01 2jcm h LYS 425 N 0.69 0.70 0.06 3.15 3.11 -1.28 -2.97 116.57 120.03 2jcm h LYS 425 Ca 0.14 -0.31 -0.27 0.00 -2.81 0.00 0.00 60.65 57.40 2jcm h LYS 425 Cb 0.50 -0.02 0.02 0.00 -1.00 0.00 0.00 32.23 31.74 2jcm h LYS 425 CO 0.02 0.91 -1.08 0.28 -2.81 0.00 0.00 179.45 176.77 2jcm h VAL 426 N 0.60 1.30 -0.65 2.00 2.07 -1.25 -2.80 116.25 117.51 2jcm h VAL 426 Ca 0.07 -2.33 0.09 0.00 0.82 0.00 0.00 66.70 65.35 2jcm h VAL 426 Cb 0.80 2.56 -0.11 0.00 -1.52 0.00 0.00 31.29 33.02 2jcm h VAL 426 CO 0.07 0.71 -0.47 0.74 0.02 0.00 0.00 177.57 178.64 2jcm h THR 427 N 0.28 0.06 -0.71 2.57 2.02 -1.42 -0.75 112.91 114.95 2jcm h THR 427 Ca -0.15 0.00 0.05 0.00 0.77 0.00 0.00 66.41 67.08 2jcm h THR 427 Cb 1.76 0.06 -0.05 0.00 -1.74 0.00 0.00 68.15 68.17 2jcm h THR 427 CO 0.21 0.00 0.41 -0.74 0.37 0.00 0.00 175.52 175.77 2jcm h HIS 428 N -0.20 0.76 -0.45 3.16 -0.00 -1.52 -0.28 115.15 116.63 2jcm h HIS 428 Ca 0.18 0.02 -0.09 0.00 -0.00 0.00 0.00 60.37 60.48 2jcm h HIS 428 Cb 0.55 -0.24 -0.02 0.00 -0.00 0.00 0.00 27.41 27.70 2jcm h HIS 428 CO -0.77 0.38 -0.10 -0.44 -0.00 0.00 0.00 177.93 177.00 2jcm h ASP 429 N 0.77 0.80 0.23 3.26 3.32 -1.21 -0.92 116.42 122.67 2jcm h ASP 429 Ca 0.31 -0.24 -0.01 0.00 0.02 0.00 0.00 57.03 57.11 2jcm h ASP 429 Cb 0.15 -0.22 0.00 0.00 0.22 0.00 0.00 39.33 39.49 2jcm h ASP 429 CO -0.17 0.93 -0.11 -0.03 -1.72 0.00 0.00 179.24 178.14 2jcm h MET 430 N 0.73 -0.30 -0.97 3.56 4.05 -0.78 -3.28 114.93 117.95 2jcm h MET 430 Ca 0.12 0.02 0.02 0.00 -0.28 0.00 0.00 59.70 59.58 2jcm h MET 430 Cb 0.59 0.07 -0.05 0.00 -0.80 0.00 0.00 31.60 31.41 2jcm h MET 430 CO 0.04 -0.04 0.64 -0.44 0.23 0.00 0.00 176.91 177.34 2jcm h ASP 431 N -0.54 1.09 0.17 1.39 3.32 -0.93 -2.08 116.42 118.83 2jcm h ASP 431 Ca -0.03 -0.02 -0.01 0.00 0.02 0.00 0.00 57.03 56.98 2jcm h ASP 431 Cb 0.40 -0.27 -0.00 0.00 0.22 0.00 0.00 39.33 39.68 2jcm h ASP 431 CO 0.05 0.78 -0.07 0.24 -1.72 0.00 0.00 179.24 178.52 2jcm h MET 432 N 1.28 0.00 0.00 3.56 2.86 -1.26 -1.81 114.93 119.57 2jcm h MET 432 Ca 0.37 0.00 -0.02 0.00 -2.06 0.00 0.00 59.70 57.98 2jcm h MET 432 Cb -0.10 0.00 -0.00 0.00 0.06 0.00 0.00 31.60 31.56 2jcm h MET 432 CO -0.09 0.07 -0.10 0.00 1.06 0.00 0.00 176.91 177.84 2jcm h TYR 434 N 0.00 0.00 0.00 0.00 0.05 -1.47 -3.51 116.97 112.04 2jcm h TYR 434 Ca -0.00 0.00 0.00 0.00 0.05 0.00 0.00 58.73 58.78 2jcm h TYR 434 Cb 0.25 0.00 0.00 0.00 1.01 0.00 0.00 36.73 37.99 2jcm h TYR 434 CO 0.00 0.93 0.00 0.41 -1.05 0.00 0.00 178.16 178.45 2jcm n GLY 435 N 1.48 1.18 0.22 3.88 0.00 -1.09 -4.76 105.19 106.09 2jcm n GLY 435 Ca -0.11 -1.68 0.08 0.00 0.00 0.00 0.00 46.02 44.30 2jcm n GLY 435 CO 0.00 0.00 0.00 -0.33 0.00 0.00 0.00 173.32 172.99 2jcm h MET 436 N 0.00 0.00 -0.47 1.61 2.86 -1.39 -2.04 114.93 115.50 2jcm h MET 436 Ca 0.00 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.64 2jcm h MET 436 Cb 0.00 0.00 0.00 0.00 0.06 0.00 0.00 31.60 31.66 2jcm h MET 436 CO 0.00 0.27 0.00 -1.33 1.06 0.00 0.00 176.91 176.91 2jcm n MET 437 N -3.73 2.51 -0.02 1.72 2.81 -1.17 -4.97 117.12 114.28 2jcm n MET 437 Ca -0.01 -2.28 0.00 0.00 -1.81 0.00 0.00 57.70 53.60 2jcm n MET 437 Cb 0.38 -1.45 -0.00 0.00 -0.71 0.00 0.00 33.22 31.43 2jcm n MET 437 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 2jcm n GLY 438 N 1.26 -2.13 3.73 3.03 0.00 -0.77 -4.76 105.19 105.55 2jcm n GLY 438 Ca 0.18 -1.45 -0.39 0.00 0.00 0.00 0.00 46.02 44.36 2jcm n GLY 438 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 2jcm n SER 439 N 0.17 2.58 0.09 1.61 2.88 -1.24 -4.55 113.62 115.16 2jcm n SER 439 Ca 0.00 1.01 0.20 0.00 -1.33 0.00 0.00 58.87 58.74 2jcm n SER 439 Cb 0.01 -1.55 0.75 0.00 -0.75 0.00 0.00 64.21 62.66 2jcm n SER 439 CO 0.00 0.00 0.00 0.25 -1.23 0.00 0.00 175.04 174.06 2jcm h LEU 440 N 1.58 0.00 0.00 2.46 5.85 -1.88 -3.28 115.31 120.04 2jcm h LEU 440 Ca -0.50 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.22 2jcm h LEU 440 Cb 1.30 0.00 0.00 0.00 0.37 0.00 0.00 40.66 42.33 2jcm h LEU 440 CO 0.58 0.00 -0.97 0.49 -0.34 0.00 0.00 178.44 178.19 2jcm n PHE 441 N -3.97 0.00 -3.58 1.25 3.72 -1.26 -4.43 117.46 109.18 2jcm n PHE 441 Ca 0.07 0.00 -0.05 0.00 -0.05 0.00 0.00 57.45 57.42 2jcm n PHE 441 Cb 0.55 -0.05 -0.02 0.00 -0.94 0.00 0.00 39.48 39.01 2jcm n PHE 441 CO 0.00 0.00 0.00 -0.98 -0.05 0.00 0.00 176.76 175.73 2jcm s ARG 442 N -2.77 0.44 -0.27 -1.08 1.70 -1.24 -2.32 118.95 113.41 2jcm s ARG 442 Ca 0.05 -0.17 0.01 0.00 -0.47 0.00 0.00 55.73 55.15 2jcm s ARG 442 Cb 0.13 0.20 0.08 0.00 -0.57 0.00 0.00 34.95 34.79 2jcm s ARG 442 CO 0.74 -0.19 0.01 0.45 -1.08 0.00 0.00 175.30 175.22 2jcm s SER 443 N -2.33 4.02 1.67 -2.89 0.15 0.10 -3.67 113.70 110.76 2jcm s SER 443 Ca 0.09 -1.46 0.00 0.00 0.70 0.00 0.00 55.95 55.28 2jcm s SER 443 Cb -0.01 -1.16 0.00 0.00 -1.71 0.00 0.00 66.02 63.14 2jcm s SER 443 CO -0.05 -0.31 0.00 0.61 1.20 0.00 0.00 173.24 174.69 2jcm n GLY 444 N 4.65 3.80 0.41 9.45 0.00 -1.26 -1.42 105.19 120.82 2jcm n GLY 444 Ca -0.06 0.08 0.13 0.00 0.00 0.00 0.00 46.02 46.17 2jcm n GLY 444 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 2jcm n SER 445 N 6.45 1.27 -4.63 1.61 3.41 -1.26 -4.82 113.62 115.65 2jcm n SER 445 Ca 0.00 -1.47 -0.37 0.00 -0.26 0.00 0.00 58.87 56.76 2jcm n SER 445 Cb 0.00 -0.02 -0.10 0.00 -0.26 0.00 0.00 64.21 63.83 2jcm n SER 445 CO 0.00 0.00 0.00 -0.13 -0.16 0.00 0.00 175.04 174.75 2jcm s ARG 446 N -1.95 4.02 0.31 4.33 0.52 -0.50 -5.06 118.95 120.61 2jcm s ARG 446 Ca 0.38 -0.28 -0.26 0.00 -0.52 0.00 0.00 55.73 55.04 2jcm s ARG 446 Cb 0.20 -3.59 -0.10 0.00 0.52 0.00 0.00 34.95 31.98 2jcm s ARG 446 CO 0.32 -0.04 0.94 -0.65 0.02 0.00 0.00 175.30 175.89 2jcm s GLN 447 N 1.36 4.61 0.77 3.54 -0.21 -1.26 0.03 119.66 128.49 2jcm s GLN 447 Ca 0.08 1.34 -0.11 0.00 0.02 0.00 0.00 55.36 56.69 2jcm s GLN 447 Cb -0.15 -2.85 0.07 0.00 1.00 0.00 0.00 33.01 31.08 2jcm s GLN 447 CO 0.07 0.31 1.13 0.95 -2.12 0.00 0.00 175.29 175.63 2jcm s THR 448 N -1.57 2.26 0.19 -0.19 -4.23 -0.98 -4.32 115.64 106.81 2jcm s THR 448 Ca 0.49 -0.01 -0.11 0.00 -1.18 0.00 0.00 61.69 60.88 2jcm s THR 448 Cb -0.19 -3.06 0.11 0.00 1.34 0.00 0.00 72.50 70.69 2jcm s THR 448 CO 0.25 -0.08 1.81 0.25 -0.54 0.00 0.00 174.62 176.31 2jcm h LEU 449 N -0.89 0.52 0.15 4.79 5.85 -1.50 -1.95 115.31 122.28 2jcm h LEU 449 Ca -0.46 0.02 0.02 0.00 0.84 0.00 0.00 57.88 58.30 2jcm h LEU 449 Cb 1.32 -0.09 -0.04 0.00 0.37 0.00 0.00 40.66 42.22 2jcm h LEU 449 CO 0.64 0.35 -0.36 0.15 -0.34 0.00 0.00 178.44 178.89 2jcm h PHE 450 N 0.65 -0.98 -0.43 1.25 3.57 -1.85 0.13 116.94 119.27 2jcm h PHE 450 Ca 0.25 0.02 0.09 0.00 3.53 0.00 0.00 57.97 61.86 2jcm h PHE 450 Cb 0.10 0.41 -0.09 0.00 2.79 0.00 0.00 35.95 39.17 2jcm h PHE 450 CO -0.07 -0.47 -0.14 0.00 -2.23 0.00 0.00 178.31 175.40 2jcm h ALA 451 N -0.03 0.23 -0.13 2.41 0.00 -1.73 -0.01 119.26 120.00 2jcm h ALA 451 Ca 0.02 0.16 -0.04 0.00 0.00 0.00 0.00 54.91 55.06 2jcm h ALA 451 Cb 0.62 0.39 -0.01 0.00 0.00 0.00 0.00 17.79 18.79 2jcm h ALA 451 CO -0.19 -0.48 -0.08 0.66 0.00 0.00 0.00 179.25 179.15 2jcm h SER 452 N -0.04 0.18 0.75 0.00 4.64 -0.65 -1.51 113.55 116.92 2jcm h SER 452 Ca 0.21 -0.03 -0.20 0.00 -0.47 0.00 0.00 61.79 61.30 2jcm h SER 452 Cb 0.36 -0.05 -0.02 0.00 -0.31 0.00 0.00 62.40 62.39 2jcm h SER 452 CO -0.47 0.30 -0.94 1.56 -0.87 0.00 0.00 176.83 176.40 2jcm h GLN 453 N 0.19 0.11 0.43 4.77 4.20 0.38 -1.89 115.11 123.30 2jcm h GLN 453 Ca 0.04 -0.14 -0.01 0.00 0.06 0.00 0.00 58.65 58.60 2jcm h GLN 453 Cb 0.28 0.05 -0.02 0.00 0.30 0.00 0.00 27.48 28.08 2jcm h GLN 453 CO 0.01 0.97 -0.37 0.28 -0.67 0.00 0.00 178.83 179.06 2jcm h VAL 454 N 0.05 0.25 -0.77 -0.54 2.07 -0.63 -1.56 116.25 115.13 2jcm h VAL 454 Ca -0.04 0.00 0.11 0.00 0.82 0.00 0.00 66.70 67.60 2jcm h VAL 454 Cb 1.62 0.25 -0.08 0.00 -1.52 0.00 0.00 31.29 31.56 2jcm h VAL 454 CO 0.14 0.00 0.39 0.24 0.02 0.00 0.00 177.57 178.35 2jcm h MET 455 N -0.80 0.60 -0.22 1.57 2.86 -1.32 -1.02 114.93 116.61 2jcm h MET 455 Ca -0.04 -0.04 -0.19 0.00 -2.06 0.00 0.00 59.70 57.37 2jcm h MET 455 Cb 0.69 -0.13 0.00 0.00 0.06 0.00 0.00 31.60 32.22 2jcm h MET 455 CO -0.03 0.39 -0.63 -0.09 1.06 0.00 0.00 176.91 177.62 2jcm h ARG 456 N 0.61 0.76 0.00 1.72 2.43 -1.24 -3.41 114.38 115.25 2jcm h ARG 456 Ca 0.40 -0.52 0.00 0.00 -0.81 0.00 0.00 59.98 59.04 2jcm h ARG 456 Cb 0.48 0.08 0.00 0.00 -0.42 0.00 0.00 29.97 30.11 2jcm h ARG 456 CO -0.31 1.15 -1.05 0.66 -1.51 0.00 0.00 179.97 178.91 2jcm n TYR 457 N -3.96 0.00 -3.01 2.20 4.01 -0.60 -4.91 117.16 110.89 2jcm n TYR 457 Ca -0.05 0.00 -0.43 0.00 -0.16 0.00 0.00 57.90 57.26 2jcm n TYR 457 Cb 0.66 -0.04 -0.06 0.00 -0.31 0.00 0.00 39.34 39.59 2jcm n TYR 457 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 2jcm s ALA 458 N -2.09 3.35 0.10 -0.72 0.00 -0.39 -4.73 121.76 117.28 2jcm s ALA 458 Ca -0.01 -0.96 -0.18 0.00 0.00 0.00 0.00 51.96 50.82 2jcm s ALA 458 Cb 0.01 -3.38 -0.06 0.00 0.00 0.00 0.00 23.12 19.70 2jcm s ALA 458 CO 0.08 -1.73 1.60 -0.44 0.00 0.00 0.00 175.76 175.27 2jcm h ASP 459 N 8.79 0.42 -3.68 0.00 3.32 -1.79 -3.39 116.42 120.10 2jcm h ASP 459 Ca -0.25 -0.22 -0.44 0.00 0.02 0.00 0.00 57.03 56.13 2jcm h ASP 459 Cb 1.09 -0.11 -0.17 0.00 0.22 0.00 0.00 39.33 40.36 2jcm h ASP 459 CO 0.92 0.54 -0.75 -0.76 -1.72 0.00 0.00 179.24 177.47 2jcm s LEU 460 N -9.68 2.47 0.01 1.55 1.43 -0.60 -0.75 118.68 113.12 2jcm s LEU 460 Ca -0.13 -0.90 -0.21 0.00 -1.03 0.00 0.00 54.13 51.85 2jcm s LEU 460 Cb 0.08 -0.63 0.04 0.00 0.03 0.00 0.00 46.19 45.72 2jcm s LEU 460 CO 0.74 -0.15 0.47 -0.72 0.23 0.00 0.00 176.35 176.92 2jcm s TYR 461 N -2.48 -0.37 0.24 0.29 -0.85 -0.34 -1.44 117.35 112.40 2jcm s TYR 461 Ca 0.15 0.47 -0.19 0.00 -0.52 0.00 0.00 57.07 56.99 2jcm s TYR 461 Cb -0.03 0.26 0.02 0.00 0.38 0.00 0.00 41.96 42.60 2jcm s TYR 461 CO 0.05 -0.56 0.61 0.00 -1.52 0.00 0.00 175.55 174.13 2jcm s ALA 462 N -1.97 -1.03 0.17 9.51 0.00 -0.84 -0.14 121.76 127.47 2jcm s ALA 462 Ca -0.08 -0.28 0.16 0.00 0.00 0.00 0.00 51.96 51.76 2jcm s ALA 462 Cb -0.02 0.89 0.54 0.00 0.00 0.00 0.00 23.12 24.53 2jcm s ALA 462 CO 0.02 -0.91 1.67 0.00 0.00 0.00 0.00 175.76 176.54 2jcm h ALA 463 N 2.10 0.95 -2.72 0.00 0.00 -1.81 0.36 119.26 118.13 2jcm h ALA 463 Ca -0.25 -0.42 -0.14 0.00 0.00 0.00 0.00 54.91 54.11 2jcm h ALA 463 Cb 1.26 -0.07 -0.21 0.00 0.00 0.00 0.00 17.79 18.77 2jcm h ALA 463 CO 0.31 0.57 -0.41 0.45 0.00 0.00 0.00 179.25 180.18 2jcm s SER 464 N -6.55 -0.09 0.62 0.00 0.15 -1.26 -3.89 113.70 102.68 2jcm s SER 464 Ca 0.00 -0.01 0.38 0.00 0.70 0.00 0.00 55.95 57.02 2jcm s SER 464 Cb 0.11 0.28 2.08 0.00 -1.71 0.00 0.00 66.02 66.78 2jcm s SER 464 CO 0.71 -0.36 2.28 2.19 1.20 0.00 0.00 173.24 179.27 2jcm h PHE 465 N 4.33 0.00 0.00 3.44 -5.15 -1.88 -2.67 116.94 115.01 2jcm h PHE 465 Ca -0.30 0.00 0.00 0.00 -0.20 0.00 0.00 57.97 57.47 2jcm h PHE 465 Cb 1.19 0.00 0.00 0.00 0.22 0.00 0.00 35.95 37.36 2jcm h PHE 465 CO 0.54 0.01 0.00 0.97 -2.00 0.00 0.00 178.31 177.83 2jcm h ILE 466 N 0.00 0.00 0.00 0.88 6.09 -1.96 -1.92 117.51 120.60 2jcm h ILE 466 Ca -0.00 -0.29 0.00 0.00 -1.37 0.00 0.00 64.86 63.20 2jcm h ILE 466 Cb 0.07 1.08 0.00 0.00 0.47 0.00 0.00 36.82 38.44 2jcm h ILE 466 CO 0.00 0.00 0.00 0.78 -3.07 0.00 0.00 178.15 175.86 2jcm h ASN 467 N 0.00 0.00 0.14 2.19 2.35 -1.78 -0.98 115.58 117.50 2jcm h ASN 467 Ca 0.00 0.00 -0.02 0.00 -0.55 0.00 0.00 56.30 55.73 2jcm h ASN 467 Cb 0.41 0.00 -0.00 0.00 0.05 0.00 0.00 38.32 38.78 2jcm h ASN 467 CO 0.00 0.00 -0.10 -0.07 -1.65 0.00 0.00 177.43 175.61 2jcm h LEU 468 N 0.00 0.00 -1.98 1.61 3.38 -1.58 -2.93 115.31 113.81 2jcm h LEU 468 Ca 0.00 0.00 0.21 0.00 0.09 0.00 0.00 57.88 58.18 2jcm h LEU 468 Cb 0.37 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 41.08 2jcm h LEU 468 CO 0.00 0.10 0.53 0.25 0.09 0.00 0.00 178.44 179.40 2jcm h LEU 469 N 0.00 0.02 -2.09 1.67 5.85 -1.38 -2.66 115.31 116.72 2jcm h LEU 469 Ca -0.00 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.72 2jcm h LEU 469 Cb 0.19 -0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.22 2jcm h LEU 469 CO 0.01 0.01 0.00 -1.22 -0.34 0.00 0.00 178.44 176.90 2jcm n TYR 470 N -4.33 0.87 -4.63 1.25 4.01 -1.10 -4.81 117.16 108.42 2jcm n TYR 470 Ca 0.15 -0.38 -0.23 0.00 -0.16 0.00 0.00 57.90 57.28 2jcm n TYR 470 Cb 0.79 -0.09 -0.16 0.00 -0.31 0.00 0.00 39.34 39.57 2jcm n TYR 470 CO 0.00 0.00 0.00 0.71 -0.46 0.00 0.00 176.86 177.11 2jcm s TYR 471 N -1.54 1.32 0.73 -0.72 2.02 -1.01 -4.65 117.35 113.50 2jcm s TYR 471 Ca 0.35 -0.33 -0.12 0.00 -0.37 0.00 0.00 57.07 56.59 2jcm s TYR 471 Cb 0.20 -0.89 0.04 0.00 -0.40 0.00 0.00 41.96 40.91 2jcm s TYR 471 CO 0.20 -0.10 1.10 -1.25 -1.57 0.00 0.00 175.55 173.93 2jcm s PRO 472 N -0.00 2.44 0.03 -1.71 0.04 -1.26 -4.88 135.00 129.66 2jcm s PRO 472 Ca -0.01 1.29 0.16 0.00 0.04 0.00 0.00 61.00 62.48 2jcm s PRO 472 Cb -0.09 -1.91 0.69 0.00 0.04 0.00 0.00 34.50 33.23 2jcm s PRO 472 CO 0.01 -1.52 1.52 1.19 0.04 0.00 0.00 177.00 178.23 2jcm n PHE 473 N -3.06 0.11 1.22 0.56 3.72 -1.26 -1.48 117.46 117.26 2jcm n PHE 473 Ca 0.10 0.04 0.14 0.00 -0.05 0.00 0.00 57.45 57.68 2jcm n PHE 473 Cb 0.52 -0.57 0.56 0.00 -0.94 0.00 0.00 39.48 39.06 2jcm n PHE 473 CO 0.00 0.00 0.00 0.43 -0.05 0.00 0.00 176.76 177.14 2jcm n SER 474 N -1.60 0.29 -4.71 4.37 7.64 -1.26 -2.50 113.62 115.85 2jcm n SER 474 Ca 0.03 -0.16 -0.42 0.00 1.01 0.00 0.00 58.87 59.33 2jcm n SER 474 Cb 0.19 -0.16 -0.01 0.00 -1.01 0.00 0.00 64.21 63.22 2jcm n SER 474 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 2jcm n TYR 475 N -1.25 2.40 -3.60 1.43 9.36 -0.55 -4.58 117.16 120.36 2jcm n TYR 475 Ca 0.11 0.53 -0.40 0.00 3.32 0.00 0.00 57.90 61.46 2jcm n TYR 475 Cb 0.30 -2.44 -0.10 0.00 -0.63 0.00 0.00 39.34 36.47 2jcm n TYR 475 CO 0.00 0.00 0.00 -1.17 0.22 0.00 0.00 176.86 175.91 2jcm s LEU 476 N -1.17 5.03 -0.06 2.98 2.96 -1.26 -1.95 118.68 125.21 2jcm s LEU 476 Ca 0.55 -1.38 -0.30 0.00 -0.22 0.00 0.00 54.13 52.79 2jcm s LEU 476 Cb -0.55 -1.99 -0.04 0.00 0.50 0.00 0.00 46.19 44.10 2jcm s LEU 476 CO 0.62 -0.50 1.40 -0.36 -1.32 0.00 0.00 176.35 176.20 2jcm s PHE 477 N 1.46 2.68 -0.09 5.38 0.08 -0.34 -4.94 117.98 122.19 2jcm s PHE 477 Ca 0.02 0.76 0.02 0.00 0.12 0.00 0.00 56.93 57.86 2jcm s PHE 477 Cb -0.22 -3.66 -0.02 0.00 -0.57 0.00 0.00 43.02 38.56 2jcm s PHE 477 CO 0.03 -2.47 -0.17 1.03 -0.10 0.00 0.00 175.22 173.55 2jcm s ARG 478 N 3.08 2.98 0.07 0.44 0.52 -1.26 -0.57 118.95 124.21 2jcm s ARG 478 Ca 0.63 -0.75 0.10 0.00 -0.52 0.00 0.00 55.73 55.18 2jcm s ARG 478 Cb -0.28 -2.45 -0.03 0.00 0.52 0.00 0.00 34.95 32.71 2jcm s ARG 478 CO 0.23 0.34 -0.26 0.00 0.02 0.00 0.00 175.30 175.63 2jcm s ALA 479 N -0.01 2.24 0.51 2.13 0.00 -1.26 -4.86 121.76 120.50 2jcm s ALA 479 Ca -0.05 -1.30 -0.22 0.00 0.00 0.00 0.00 51.96 50.38 2jcm s ALA 479 Cb -0.14 -0.44 -0.06 0.00 0.00 0.00 0.00 23.12 22.48 2jcm s ALA 479 CO 0.04 0.52 1.27 0.00 0.00 0.00 0.00 175.76 177.59 2jcm s ALA 480 N -0.88 2.88 0.57 0.00 0.00 -1.26 -4.67 121.76 118.40 2jcm s ALA 480 Ca 0.12 1.14 -0.19 0.00 0.00 0.00 0.00 51.96 53.03 2jcm s ALA 480 Cb -0.10 -3.48 -0.05 0.00 0.00 0.00 0.00 23.12 19.49 2jcm s ALA 480 CO 0.03 -1.05 1.19 -1.01 0.00 0.00 0.00 175.76 174.92 2jcm s HIS 481 N -1.42 2.50 -0.02 0.00 3.76 -1.26 -4.99 115.29 113.85 2jcm s HIS 481 Ca 0.68 1.52 -0.18 0.00 -0.15 0.00 0.00 55.06 56.93 2jcm s HIS 481 Cb -0.35 -3.44 -0.05 0.00 1.11 0.00 0.00 32.58 29.85 2jcm s HIS 481 CO 0.41 -2.02 0.49 0.08 -0.85 0.00 0.00 174.74 172.86 2jcm s VAL 482 N -1.62 5.00 -0.04 -0.90 1.01 -1.26 -5.09 120.40 117.50 2jcm s VAL 482 Ca 0.75 1.02 0.06 0.00 0.00 0.00 0.00 61.98 63.81 2jcm s VAL 482 Cb -0.29 -3.82 -0.01 0.00 0.00 0.00 0.00 36.38 32.26 2jcm s VAL 482 CO 0.32 0.47 -0.23 -0.76 0.00 0.00 0.00 175.10 174.90 2jcm s LEU 483 N -0.41 2.03 0.77 3.92 1.43 -1.26 -5.15 118.68 120.00 2jcm s LEU 483 Ca 0.27 -0.44 -0.11 0.00 -1.03 0.00 0.00 54.13 52.82 2jcm s LEU 483 Cb -0.17 -1.21 0.06 0.00 0.03 0.00 0.00 46.19 44.90 2jcm s LEU 483 CO 0.14 0.24 1.10 -0.04 0.23 0.00 0.00 176.35 178.02 2jcm s MET 484 N -0.30 2.24 0.26 1.70 -1.94 -1.26 -4.79 119.30 115.21 2jcm s MET 484 Ca 0.02 1.22 -0.01 0.00 -1.71 0.00 0.00 55.69 55.20 2jcm s MET 484 Cb -0.11 -1.89 0.55 0.00 2.01 0.00 0.00 34.83 35.38 2jcm s MET 484 CO 0.01 -1.66 1.72 -1.35 -0.01 0.00 0.00 175.02 173.73 2jcm h PRO 485 N -1.05 0.43 0.00 2.03 0.11 -2.01 -0.27 132.00 131.24 2jcm h PRO 485 Ca -0.44 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 65.65 2jcm h PRO 485 Cb 1.23 -0.10 0.00 0.00 0.11 0.00 0.00 31.00 32.25 2jcm h PRO 485 CO 0.51 0.28 0.00 1.12 -0.21 0.00 0.00 178.00 179.70 2jcm h HIS 486 N 0.44 0.00 0.04 0.65 2.07 -2.07 -3.01 115.15 113.28 2jcm h HIS 486 Ca 0.46 0.00 -0.30 0.00 -2.85 0.00 0.00 60.37 57.68 2jcm h HIS 486 Cb 0.76 0.00 -0.04 0.00 2.57 0.00 0.00 27.41 30.71 2jcm h HIS 486 CO -0.16 0.00 -1.66 0.93 -3.07 0.00 0.00 177.93 173.98 2jcm h GLU 487 N 0.00 0.09 0.00 5.12 5.08 -1.42 -3.55 114.58 119.90 2jcm h GLU 487 Ca 0.00 -0.15 0.00 0.00 -1.00 0.00 0.00 59.36 58.21 2jcm h GLU 487 Cb 0.42 0.06 0.00 0.00 0.50 0.00 0.00 28.75 29.72 2jcm h GLU 487 CO 0.00 0.77 0.00 0.43 -1.00 0.00 0.00 179.01 179.21