#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ubm s SER 20 N 0.00 4.88 0.30 -3.46 1.04 -1.26 -4.92 113.70 110.27 1ubm s SER 20 Ca 0.00 -1.64 -0.29 0.00 0.48 0.00 0.00 55.95 54.50 1ubm s SER 20 Cb 0.00 -1.70 -0.10 0.00 0.10 0.00 0.00 66.02 64.33 1ubm s SER 20 CO 0.00 -0.34 1.13 -0.47 0.98 0.00 0.00 173.24 174.54 1ubm s TYR 21 N 1.13 3.47 -0.09 5.02 5.04 -1.26 -4.35 117.35 126.31 1ubm s TYR 21 Ca 0.00 1.65 0.02 0.00 -2.44 0.00 0.00 57.07 56.31 1ubm s TYR 21 Cb -0.20 -3.34 0.01 0.00 0.35 0.00 0.00 41.96 38.77 1ubm s TYR 21 CO -0.04 -0.78 -0.16 -1.12 -1.34 0.00 0.00 175.55 172.11 1ubm s SER 22 N -0.85 2.34 0.00 4.32 0.01 -1.26 0.10 113.70 118.36 1ubm s SER 22 Ca 0.46 -0.41 0.00 0.00 1.31 0.00 0.00 55.95 57.31 1ubm s SER 22 Cb -0.33 -1.06 0.00 0.00 0.21 0.00 0.00 66.02 64.84 1ubm s SER 22 CO 0.42 0.05 0.00 0.61 0.41 0.00 0.00 173.24 174.73 1ubm n GLY 23 N 3.94 -0.66 3.84 3.44 0.00 0.16 -4.98 105.19 110.93 1ubm n GLY 23 Ca -0.20 -1.64 -0.32 0.00 0.00 0.00 0.00 46.02 43.85 1ubm n GLY 23 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1ubm s PRO 24 N -1.61 3.99 -0.02 1.61 0.04 -1.26 0.21 135.00 137.95 1ubm s PRO 24 Ca 0.00 0.96 0.02 0.00 0.04 0.00 0.00 61.00 62.02 1ubm s PRO 24 Cb 0.00 -2.15 0.01 0.00 0.04 0.00 0.00 34.50 32.39 1ubm s PRO 24 CO 0.00 -0.22 -0.06 0.42 0.04 0.00 0.00 177.00 177.17 1ubm s ILE 25 N -2.55 0.56 -0.10 0.56 1.01 0.21 -4.89 121.20 116.01 1ubm s ILE 25 Ca 0.59 -0.23 0.03 0.00 0.00 0.00 0.00 60.65 61.04 1ubm s ILE 25 Cb -0.10 -0.52 -0.01 0.00 0.01 0.00 0.00 42.46 41.84 1ubm s ILE 25 CO 0.29 0.19 -0.19 -0.69 0.00 0.00 0.00 174.94 174.54 1ubm s VAL 26 N 0.31 2.57 -0.31 2.92 1.01 -1.26 -1.05 120.40 124.59 1ubm s VAL 26 Ca -0.04 -0.85 0.02 0.00 0.00 0.00 0.00 61.98 61.11 1ubm s VAL 26 Cb -0.08 -2.02 0.08 0.00 0.00 0.00 0.00 36.38 34.35 1ubm s VAL 26 CO 0.00 0.55 -0.00 -0.69 0.00 0.00 0.00 175.10 174.96 1ubm s VAL 27 N 0.13 2.49 -0.26 2.92 1.01 0.36 -5.01 120.40 122.05 1ubm s VAL 27 Ca -0.10 -1.86 -0.02 0.00 0.00 0.00 0.00 61.98 60.01 1ubm s VAL 27 Cb -0.16 -2.60 0.15 0.00 0.00 0.00 0.00 36.38 33.77 1ubm s VAL 27 CO 0.06 -0.29 0.44 -0.62 0.00 0.00 0.00 175.10 174.68 1ubm s ASP 28 N 1.15 -0.19 0.36 3.32 3.68 -1.26 -1.52 116.67 122.21 1ubm s ASP 28 Ca -0.00 0.38 -0.25 0.00 2.13 0.00 0.00 52.55 54.81 1ubm s ASP 28 Cb -0.20 1.39 -0.10 0.00 -1.45 0.00 0.00 42.92 42.57 1ubm s ASP 28 CO -0.05 -0.29 0.97 -2.16 0.13 0.00 0.00 175.17 173.77 1ubm s PRO 29 N 2.63 4.43 -0.37 4.34 0.04 -1.26 -5.09 135.00 139.71 1ubm s PRO 29 Ca 0.15 1.34 -0.29 0.00 0.04 0.00 0.00 61.00 62.24 1ubm s PRO 29 Cb -0.15 -2.64 0.01 0.00 0.04 0.00 0.00 34.50 31.75 1ubm s PRO 29 CO -0.18 0.13 1.39 0.08 0.04 0.00 0.00 177.00 178.46 1ubm s VAL 30 N -1.71 3.96 0.66 -0.36 1.01 -0.32 -5.03 120.40 118.61 1ubm s VAL 30 Ca 0.54 1.02 -0.01 0.00 0.00 0.00 0.00 61.98 63.53 1ubm s VAL 30 Cb -0.18 -4.17 0.09 0.00 0.00 0.00 0.00 36.38 32.11 1ubm s VAL 30 CO 0.23 -0.66 0.92 0.42 0.00 0.00 0.00 175.10 176.01 1ubm s THR 31 N 5.12 2.34 -1.39 3.92 -4.23 -1.26 -4.45 115.64 115.70 1ubm s THR 31 Ca 0.60 -0.59 -0.08 0.00 -1.18 0.00 0.00 61.69 60.44 1ubm s THR 31 Cb -0.15 -2.75 0.03 0.00 1.34 0.00 0.00 72.50 70.97 1ubm s THR 31 CO 0.30 0.00 1.05 0.54 -0.54 0.00 0.00 174.62 175.96 1ubm n ARG 32 N -2.66 -6.70 -4.20 3.99 1.74 -1.26 -5.00 116.66 102.56 1ubm n ARG 32 Ca 0.12 0.74 -0.13 0.00 -0.77 0.00 0.00 57.85 57.81 1ubm n ARG 32 Cb 0.60 -5.68 -0.10 0.00 -1.02 0.00 0.00 32.46 26.26 1ubm n ARG 32 CO 0.00 0.00 0.00 0.96 -1.52 0.00 0.00 177.63 177.07 1ubm s ILE 33 N -3.36 0.00 0.05 0.55 -4.36 -1.26 -4.73 121.20 108.08 1ubm s ILE 33 Ca 0.47 -1.99 -0.22 0.00 -0.26 0.00 0.00 60.65 58.64 1ubm s ILE 33 Cb -0.22 -2.50 -0.06 0.00 1.25 0.00 0.00 42.46 40.93 1ubm s ILE 33 CO 0.77 0.00 0.66 -0.70 0.24 0.00 0.00 174.94 175.91 1ubm s GLU 34 N -4.10 4.37 1.11 0.37 -6.30 -1.08 -4.98 118.70 108.10 1ubm s GLU 34 Ca 0.39 0.88 0.00 0.00 -2.50 0.00 0.00 54.97 53.74 1ubm s GLU 34 Cb 0.07 -3.31 0.00 0.00 0.00 0.00 0.00 34.13 30.88 1ubm s GLU 34 CO 0.13 0.44 0.00 0.41 0.02 0.00 0.00 175.26 176.26 1ubm n GLY 35 N 2.15 -1.83 3.12 -1.50 0.00 -1.26 -0.73 105.19 105.13 1ubm n GLY 35 Ca -0.06 -1.52 -0.36 0.00 0.00 0.00 0.00 46.02 44.07 1ubm n GLY 35 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 1ubm s HIS 36 N 0.00 3.57 -0.03 1.61 3.76 -1.26 -4.85 115.29 118.08 1ubm s HIS 36 Ca 0.00 -2.44 0.06 0.00 -0.15 0.00 0.00 55.06 52.53 1ubm s HIS 36 Cb 0.00 -3.23 -0.01 0.00 1.11 0.00 0.00 32.58 30.45 1ubm s HIS 36 CO 0.00 -0.96 -0.23 -1.17 -0.85 0.00 0.00 174.74 171.53 1ubm s LEU 37 N 1.01 2.03 -0.15 0.89 2.96 -1.26 -1.69 118.68 122.47 1ubm s LEU 37 Ca 0.09 -0.44 0.02 0.00 -0.22 0.00 0.00 54.13 53.59 1ubm s LEU 37 Cb -0.23 -1.21 0.01 0.00 0.50 0.00 0.00 46.19 45.26 1ubm s LEU 37 CO -0.04 0.25 -0.21 -0.60 -1.32 0.00 0.00 176.35 174.43 1ubm s ARG 38 N -0.33 3.03 -0.14 1.98 3.52 0.91 -1.17 118.95 126.75 1ubm s ARG 38 Ca 0.03 -0.85 -0.00 0.00 -0.13 0.00 0.00 55.73 54.78 1ubm s ARG 38 Cb -0.11 -2.46 -0.01 0.00 -1.56 0.00 0.00 34.95 30.81 1ubm s ARG 38 CO 0.01 -0.04 -0.12 0.42 -0.81 0.00 0.00 175.30 174.76 1ubm s ILE 39 N 0.88 3.08 -0.07 4.11 -1.09 -0.58 -0.35 121.20 127.18 1ubm s ILE 39 Ca -0.05 -0.65 0.05 0.00 -2.23 0.00 0.00 60.65 57.77 1ubm s ILE 39 Cb -0.15 -2.30 -0.00 0.00 -1.58 0.00 0.00 42.46 38.43 1ubm s ILE 39 CO -0.03 0.52 -0.22 -1.61 -1.23 0.00 0.00 174.94 172.36 1ubm s GLU 40 N 0.42 2.51 0.08 2.79 2.02 -0.74 -0.49 118.70 125.29 1ubm s GLU 40 Ca -0.10 -0.81 0.04 0.00 0.02 0.00 0.00 54.97 54.13 1ubm s GLU 40 Cb -0.16 -2.04 -0.03 0.00 0.10 0.00 0.00 34.13 32.00 1ubm s GLU 40 CO 0.05 0.26 -0.11 0.14 0.02 0.00 0.00 175.26 175.62 1ubm s VAL 41 N 0.10 0.96 -0.22 2.63 -7.23 -0.21 -0.54 120.40 115.89 1ubm s VAL 41 Ca -0.10 -1.47 -0.08 0.00 -1.81 0.00 0.00 61.98 58.53 1ubm s VAL 41 Cb -0.15 -1.18 -0.04 0.00 0.56 0.00 0.00 36.38 35.57 1ubm s VAL 41 CO 0.05 -0.43 0.09 -1.61 -0.31 0.00 0.00 175.10 172.90 1ubm s GLU 42 N -2.30 3.91 0.03 4.82 2.02 -0.55 -0.62 118.70 126.01 1ubm s GLU 42 Ca 0.01 -0.36 0.09 0.00 0.02 0.00 0.00 54.97 54.73 1ubm s GLU 42 Cb -0.06 -3.33 -0.03 0.00 0.10 0.00 0.00 34.13 30.81 1ubm s GLU 42 CO 0.01 0.09 -0.26 0.54 0.02 0.00 0.00 175.26 175.66 1ubm s VAL 43 N 0.90 2.15 -0.14 2.63 0.11 0.13 -0.49 120.40 125.69 1ubm s VAL 43 Ca 0.05 -1.32 -0.00 0.00 -2.93 0.00 0.00 61.98 57.78 1ubm s VAL 43 Cb -0.14 -1.82 0.03 0.00 -1.53 0.00 0.00 36.38 32.92 1ubm s VAL 43 CO 0.03 0.41 -0.09 -0.70 -3.33 0.00 0.00 175.10 171.42 1ubm s GLU 44 N -1.11 1.79 -1.44 1.54 2.12 0.76 -0.67 118.70 121.69 1ubm s GLU 44 Ca 0.11 -0.42 -0.10 0.00 0.36 0.00 0.00 54.97 54.92 1ubm s GLU 44 Cb -0.10 -1.86 0.05 0.00 0.26 0.00 0.00 34.13 32.48 1ubm s GLU 44 CO 0.01 -0.29 1.00 0.09 -0.54 0.00 0.00 175.26 175.53 1ubm n ASN 45 N 4.86 -4.56 0.00 -1.70 3.02 -1.03 -1.89 115.26 113.97 1ubm n ASN 45 Ca -0.14 -0.72 0.00 0.00 -0.03 0.00 0.00 54.58 53.70 1ubm n ASN 45 Cb 0.49 -4.27 0.00 0.00 -0.61 0.00 0.00 39.78 35.39 1ubm n ASN 45 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1ubm n GLY 46 N -1.73 0.47 3.16 7.41 0.00 0.28 -4.72 105.19 110.07 1ubm n GLY 46 Ca -0.03 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.75 1ubm n GLY 46 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1ubm s LYS 47 N -0.27 1.29 0.06 1.61 1.02 -0.79 -0.36 119.74 122.30 1ubm s LYS 47 Ca 0.00 -0.67 -0.31 0.00 0.02 0.00 0.00 55.97 55.01 1ubm s LYS 47 Cb 0.00 -1.28 -0.06 0.00 -0.52 0.00 0.00 37.83 35.97 1ubm s LYS 47 CO 0.00 0.34 1.31 0.08 -0.92 0.00 0.00 175.35 176.17 1ubm s VAL 48 N -0.52 3.71 -0.10 3.17 1.01 0.37 -0.17 120.40 127.88 1ubm s VAL 48 Ca 0.06 1.20 0.05 0.00 0.00 0.00 0.00 61.98 63.29 1ubm s VAL 48 Cb -0.07 -3.77 -0.07 0.00 0.00 0.00 0.00 36.38 32.47 1ubm s VAL 48 CO -0.00 0.07 0.15 2.29 0.00 0.00 0.00 175.10 177.61 1ubm n LYS 49 N 4.34 2.38 -3.66 2.72 2.85 0.35 0.07 118.16 127.23 1ubm n LYS 49 Ca 0.11 -0.03 -0.12 0.00 -1.05 0.00 0.00 58.31 57.22 1ubm n LYS 49 Cb 0.44 -0.96 -0.06 0.00 -0.65 0.00 0.00 35.03 33.81 1ubm n LYS 49 CO 0.00 0.00 0.00 1.21 -0.05 0.00 0.00 177.40 178.56 1ubm s ASN 50 N -2.11 -0.27 -0.10 -5.58 3.04 -1.13 -4.94 114.94 103.85 1ubm s ASN 50 Ca -0.00 -0.08 -0.17 0.00 0.04 0.00 0.00 52.86 52.66 1ubm s ASN 50 Cb 0.03 0.44 0.04 0.00 -1.54 0.00 0.00 41.25 40.22 1ubm s ASN 50 CO 0.21 -0.71 0.42 0.00 -3.04 0.00 0.00 177.10 173.97 1ubm s ALA 51 N -2.79 -1.04 -0.04 1.71 0.00 -1.26 -1.49 121.76 116.84 1ubm s ALA 51 Ca -0.03 0.93 0.03 0.00 0.00 0.00 0.00 51.96 52.88 1ubm s ALA 51 Cb -0.00 -0.37 0.00 0.00 0.00 0.00 0.00 23.12 22.75 1ubm s ALA 51 CO -0.05 -0.24 -0.13 0.71 0.00 0.00 0.00 175.76 176.06 1ubm s TYR 52 N -0.44 1.35 -0.42 0.00 2.02 0.30 -4.88 117.35 115.28 1ubm s TYR 52 Ca -0.06 -0.40 -0.12 0.00 -0.37 0.00 0.00 57.07 56.12 1ubm s TYR 52 Cb -0.03 -0.95 0.06 0.00 -0.40 0.00 0.00 41.96 40.64 1ubm s TYR 52 CO 0.03 -0.17 0.28 0.45 -1.57 0.00 0.00 175.55 174.57 1ubm s SER 53 N 0.28 5.81 -0.27 2.29 0.15 -1.26 -1.79 113.70 118.91 1ubm s SER 53 Ca -0.07 -1.30 -0.04 0.00 0.70 0.00 0.00 55.95 55.25 1ubm s SER 53 Cb -0.12 -2.05 0.02 0.00 -1.71 0.00 0.00 66.02 62.16 1ubm s SER 53 CO 0.02 -0.52 -0.00 -0.55 1.20 0.00 0.00 173.24 173.39 1ubm s SER 54 N 2.07 4.69 -0.20 5.45 0.15 0.53 -4.47 113.70 121.92 1ubm s SER 54 Ca 0.03 -0.86 -0.18 0.00 0.70 0.00 0.00 55.95 55.63 1ubm s SER 54 Cb -0.22 -1.75 -0.03 0.00 -1.71 0.00 0.00 66.02 62.31 1ubm s SER 54 CO 0.05 -0.17 0.51 -0.44 1.20 0.00 0.00 173.24 174.39 1ubm s SER 55 N 1.38 6.56 -0.10 5.45 0.01 -1.26 -0.06 113.70 125.68 1ubm s SER 55 Ca 0.00 0.67 0.14 0.00 1.31 0.00 0.00 55.95 58.07 1ubm s SER 55 Cb -0.17 -2.29 0.27 0.00 0.21 0.00 0.00 66.02 64.04 1ubm s SER 55 CO -0.01 -0.17 1.18 0.35 0.41 0.00 0.00 173.24 174.99 1ubm n THR 56 N 4.51 1.69 -4.37 1.44 -2.24 -0.68 -1.92 114.28 112.71 1ubm n THR 56 Ca -0.05 -1.81 -0.21 0.00 -2.27 0.00 0.00 64.05 59.71 1ubm n THR 56 Cb 0.50 -0.02 -0.16 0.00 -2.10 0.00 0.00 70.33 68.56 1ubm n THR 56 CO 0.00 0.00 0.00 -0.22 -0.57 0.00 0.00 175.07 174.28 1ubm s LEU 57 N -2.30 1.64 -0.03 3.22 2.96 -1.26 -5.04 118.68 117.88 1ubm s LEU 57 Ca 0.26 -0.19 0.07 0.00 -0.22 0.00 0.00 54.13 54.05 1ubm s LEU 57 Cb 0.22 -0.57 -0.02 0.00 0.50 0.00 0.00 46.19 46.31 1ubm s LEU 57 CO 0.04 0.03 -0.24 0.12 -1.32 0.00 0.00 176.35 174.98 1ubm s PHE 58 N 0.46 2.38 -0.04 5.38 5.36 -1.26 -4.86 117.98 125.40 1ubm s PHE 58 Ca -0.08 -0.42 0.01 0.00 -0.96 0.00 0.00 56.93 55.49 1ubm s PHE 58 Cb -0.11 -1.52 -0.03 0.00 -0.34 0.00 0.00 43.02 41.01 1ubm s PHE 58 CO 0.01 -0.02 -0.03 0.54 -1.46 0.00 0.00 175.22 174.26 1ubm n ARG 59 N 2.45 0.72 -2.29 10.12 1.74 -0.33 -5.08 116.66 123.99 1ubm n ARG 59 Ca -0.16 0.02 0.00 0.00 -0.77 0.00 0.00 57.85 56.94 1ubm n ARG 59 Cb 0.51 -1.09 0.00 0.00 -1.02 0.00 0.00 32.46 30.86 1ubm n ARG 59 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1ubm n GLY 60 N 3.18 0.96 0.28 -0.13 0.00 -0.89 -4.96 105.19 103.63 1ubm n GLY 60 Ca -0.08 -0.62 0.08 0.00 0.00 0.00 0.00 46.02 45.40 1ubm n GLY 60 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 1ubm h LEU 61 N 0.00 0.12 -0.86 0.99 3.38 -1.92 -1.34 115.31 115.68 1ubm h LEU 61 Ca 0.00 -0.00 -0.09 0.00 0.09 0.00 0.00 57.88 57.88 1ubm h LEU 61 Cb 0.92 -0.03 -0.02 0.00 0.09 0.00 0.00 40.66 41.62 1ubm h LEU 61 CO 0.00 0.08 -0.09 -0.33 0.09 0.00 0.00 178.44 178.20 1ubm h GLU 62 N 0.14 0.75 -0.41 1.13 5.08 -1.93 -0.59 114.58 118.74 1ubm h GLU 62 Ca 0.06 -0.24 -0.07 0.00 -1.00 0.00 0.00 59.36 58.11 1ubm h GLU 62 Cb 0.07 -0.07 -0.01 0.00 0.50 0.00 0.00 28.75 29.24 1ubm h GLU 62 CO -0.01 0.82 -0.03 0.82 -1.00 0.00 0.00 179.01 179.61 1ubm h ILE 63 N 0.69 1.27 -0.31 3.13 2.04 -1.60 -3.17 117.51 119.55 1ubm h ILE 63 Ca 0.12 -1.08 -0.07 0.00 1.00 0.00 0.00 64.86 64.84 1ubm h ILE 63 Cb 0.55 1.13 -0.02 0.00 -0.74 0.00 0.00 36.82 37.74 1ubm h ILE 63 CO 0.03 0.36 -0.09 0.40 0.00 0.00 0.00 178.15 178.86 1ubm h ILE 64 N 0.58 1.22 0.00 -0.67 2.04 -0.88 -2.73 117.51 117.07 1ubm h ILE 64 Ca 0.11 -0.95 -0.01 0.00 1.00 0.00 0.00 64.86 65.02 1ubm h ILE 64 Cb 0.53 1.09 -0.00 0.00 -0.74 0.00 0.00 36.82 37.69 1ubm h ILE 64 CO 0.03 0.32 -0.03 -0.07 0.00 0.00 0.00 178.15 178.39 1ubm h LEU 65 N 0.47 0.00 -9.44 1.44 3.38 -1.09 -3.46 115.31 106.61 1ubm h LEU 65 Ca 0.09 0.00 -0.61 0.00 0.09 0.00 0.00 57.88 57.45 1ubm h LEU 65 Cb 0.45 0.00 0.06 0.00 0.09 0.00 0.00 40.66 41.25 1ubm h LEU 65 CO 0.02 0.03 0.71 1.17 0.09 0.00 0.00 178.44 180.46 1ubm n LYS 66 N -3.14 1.88 -0.31 1.13 4.81 -1.03 -2.06 118.16 119.43 1ubm n LYS 66 Ca 0.00 0.68 0.00 0.00 -0.87 0.00 0.00 58.31 58.12 1ubm n LYS 66 Cb 0.29 -2.41 0.00 0.00 0.02 0.00 0.00 35.03 32.93 1ubm n LYS 66 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 1ubm n GLY 67 N 3.20 1.48 3.94 3.14 0.00 0.37 -4.97 105.19 112.35 1ubm n GLY 67 Ca 0.17 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.93 1ubm n GLY 67 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1ubm s ARG 68 N -0.32 1.79 0.05 1.61 0.52 -0.87 -4.51 118.95 117.21 1ubm s ARG 68 Ca 0.00 -0.41 -0.31 0.00 -0.52 0.00 0.00 55.73 54.49 1ubm s ARG 68 Cb 0.00 -2.12 -0.07 0.00 0.52 0.00 0.00 34.95 33.28 1ubm s ARG 68 CO 0.00 -1.52 1.47 0.34 0.02 0.00 0.00 175.30 175.60 1ubm s ASP 69 N -4.63 6.78 0.55 0.23 -1.08 -1.26 -0.59 116.67 116.66 1ubm s ASP 69 Ca 0.64 2.26 0.25 0.00 -0.52 0.00 0.00 52.55 55.19 1ubm s ASP 69 Cb -0.08 -2.57 1.45 0.00 -1.46 0.00 0.00 42.92 40.26 1ubm s ASP 69 CO 0.46 -0.75 2.03 -0.65 0.52 0.00 0.00 175.17 176.78 1ubm h PRO 70 N 7.72 0.00 0.00 4.34 0.11 -1.90 0.18 132.00 142.44 1ubm h PRO 70 Ca -0.40 0.00 -0.01 0.00 0.11 0.00 0.00 66.00 65.70 1ubm h PRO 70 Cb 1.19 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 32.30 1ubm h PRO 70 CO 0.90 0.00 -0.06 0.00 -0.21 0.00 0.00 178.00 178.63 1ubm h ARG 71 N 0.00 0.00 0.00 1.05 3.08 -1.95 -2.36 114.38 114.21 1ubm h ARG 71 Ca 0.18 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.23 1ubm h ARG 71 Cb 0.80 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.85 1ubm h ARG 71 CO -0.00 0.06 -0.22 -0.44 -1.07 0.00 0.00 179.97 178.29 1ubm h ASP 72 N 0.00 0.00 -0.40 7.04 3.32 -1.03 -3.38 116.42 121.97 1ubm h ASP 72 Ca -0.00 -0.06 0.03 0.00 0.02 0.00 0.00 57.03 57.02 1ubm h ASP 72 Cb 0.25 0.00 -0.04 0.00 0.22 0.00 0.00 39.33 39.76 1ubm h ASP 72 CO 0.01 0.03 0.19 0.00 -1.72 0.00 0.00 179.24 177.75 1ubm h ALA 73 N 2.43 0.49 -0.10 3.45 0.00 -1.44 -2.15 119.26 121.95 1ubm h ALA 73 Ca 0.00 0.02 0.01 0.00 0.00 0.00 0.00 54.91 54.94 1ubm h ALA 73 Cb 0.79 -0.04 -0.01 0.00 0.00 0.00 0.00 17.79 18.53 1ubm h ALA 73 CO 0.00 -0.18 0.07 -0.56 0.00 0.00 0.00 179.25 178.58 1ubm h GLN 74 N 0.38 0.11 -0.33 0.00 3.07 -1.78 0.19 115.11 116.75 1ubm h GLN 74 Ca 0.17 -0.01 -0.16 0.00 0.09 0.00 0.00 58.65 58.75 1ubm h GLN 74 Cb 0.10 -0.03 -0.01 0.00 0.08 0.00 0.00 27.48 27.63 1ubm h GLN 74 CO -0.13 0.07 -0.42 0.45 0.09 0.00 0.00 178.83 178.89 1ubm h HIS 75 N 0.11 1.00 -0.02 0.06 3.86 -1.67 -0.62 115.15 117.88 1ubm h HIS 75 Ca 0.04 -0.31 -0.01 0.00 -1.16 0.00 0.00 60.37 58.93 1ubm h HIS 75 Cb 0.02 -0.21 -0.00 0.00 1.06 0.00 0.00 27.41 28.28 1ubm h HIS 75 CO -0.00 1.10 -0.02 0.74 0.86 0.00 0.00 177.93 180.62 1ubm h PHE 76 N 0.67 0.06 0.00 2.45 -1.00 -1.24 -3.32 116.94 114.56 1ubm h PHE 76 Ca 0.05 -0.02 -0.07 0.00 2.81 0.00 0.00 57.97 60.74 1ubm h PHE 76 Cb 1.00 -0.01 -0.01 0.00 3.61 0.00 0.00 35.95 40.53 1ubm h PHE 76 CO 0.06 0.50 -0.31 1.79 -1.61 0.00 0.00 178.31 178.74 1ubm h THR 77 N -0.40 0.75 -0.20 -1.55 1.35 -0.63 -1.64 112.91 110.59 1ubm h THR 77 Ca 0.00 -1.36 0.05 0.00 -0.55 0.00 0.00 66.41 64.55 1ubm h THR 77 Cb 0.49 1.87 -0.01 0.00 -1.73 0.00 0.00 68.15 68.77 1ubm h THR 77 CO 0.00 0.31 0.14 -0.61 -0.25 0.00 0.00 175.52 175.11 1ubm h GLN 78 N 0.00 0.04 0.00 4.72 4.15 -1.20 0.13 115.11 122.95 1ubm h GLN 78 Ca -0.00 -0.00 0.00 0.00 0.77 0.00 0.00 58.65 59.41 1ubm h GLN 78 Cb 0.84 -0.01 0.00 0.00 0.21 0.00 0.00 27.48 28.52 1ubm h GLN 78 CO 0.04 0.03 0.00 0.54 -1.93 0.00 0.00 178.83 177.51 1ubm n ARG 79 N -4.49 0.94 -0.17 1.69 3.00 -0.62 -2.68 116.66 114.34 1ubm n ARG 79 Ca 0.01 0.00 0.04 0.00 -0.01 0.00 0.00 57.85 57.89 1ubm n ARG 79 Cb 0.25 -1.10 0.32 0.00 0.00 0.00 0.00 32.46 31.93 1ubm n ARG 79 CO 0.00 0.00 0.00 1.15 0.00 0.00 0.00 177.63 178.78 1ubm h THR 80 N 0.00 1.10 -1.94 0.55 2.02 -0.83 -3.44 112.91 110.37 1ubm h THR 80 Ca 0.00 -0.28 0.02 0.00 0.77 0.00 0.00 66.41 66.92 1ubm h THR 80 Cb 0.00 0.20 -0.22 0.00 -1.74 0.00 0.00 68.15 66.39 1ubm h THR 80 CO 0.00 0.15 0.08 0.00 0.37 0.00 0.00 175.52 176.12 1ubm n GLY 82 N 3.97 0.20 0.05 0.00 0.00 -1.26 -3.06 105.19 105.08 1ubm n GLY 82 Ca -0.19 -0.62 -0.01 0.00 0.00 0.00 0.00 46.02 45.21 1ubm n GLY 82 CO 0.00 0.00 0.00 -2.08 0.00 0.00 0.00 173.32 171.24 1ubm h VAL 83 N 2.76 0.00 -0.84 1.61 2.07 -1.95 -3.31 116.25 116.58 1ubm h VAL 83 Ca 0.00 -0.87 -0.50 0.00 0.82 0.00 0.00 66.70 66.15 1ubm h VAL 83 Cb 0.76 0.00 -0.14 0.00 -1.52 0.00 0.00 31.29 30.39 1ubm h VAL 83 CO 0.00 0.00 0.80 0.00 0.02 0.00 0.00 177.57 178.39 1ubm n THR 85 N 1.45 1.90 0.00 0.00 5.66 -1.17 -2.95 114.28 119.17 1ubm n THR 85 Ca 0.52 -0.30 0.00 0.00 -3.05 0.00 0.00 64.05 61.22 1ubm n THR 85 Cb 0.54 -0.98 0.00 0.00 -1.55 0.00 0.00 70.33 68.35 1ubm n THR 85 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 1ubm n TYR 86 N -2.89 0.00 -0.31 1.09 -0.00 -1.26 -4.74 117.16 109.05 1ubm n TYR 86 Ca 0.12 0.00 0.06 0.00 -0.00 0.00 0.00 57.90 58.07 1ubm n TYR 86 Cb 0.50 0.00 0.21 0.00 -0.00 0.00 0.00 39.34 40.05 1ubm n TYR 86 CO 0.00 0.00 0.00 1.79 -0.00 0.00 0.00 176.86 178.65 1ubm h THR 87 N 0.00 0.85 -0.03 2.97 1.35 -1.90 0.12 112.91 116.27 1ubm h THR 87 Ca 0.00 -0.27 -0.18 0.00 -0.55 0.00 0.00 66.41 65.41 1ubm h THR 87 Cb 0.00 -0.01 -0.01 0.00 -1.73 0.00 0.00 68.15 66.40 1ubm h THR 87 CO 0.00 0.14 -0.76 0.45 -0.25 0.00 0.00 175.52 175.11 1ubm h HIS 88 N 0.79 0.34 -0.75 4.73 3.86 -1.85 0.27 115.15 122.54 1ubm h HIS 88 Ca 0.45 -0.16 0.04 0.00 -1.16 0.00 0.00 60.37 59.54 1ubm h HIS 88 Cb 0.50 -0.05 -0.05 0.00 1.06 0.00 0.00 27.41 28.87 1ubm h HIS 88 CO -0.05 0.91 0.46 0.00 0.86 0.00 0.00 177.93 180.11 1ubm h ALA 89 N 1.05 0.99 -0.29 2.45 0.00 -1.34 0.08 119.26 122.19 1ubm h ALA 89 Ca -0.03 -0.02 -0.05 0.00 0.00 0.00 0.00 54.91 54.81 1ubm h ALA 89 Cb 1.33 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 18.89 1ubm h ALA 89 CO 0.12 0.23 -0.02 1.25 0.00 0.00 0.00 179.25 180.82 1ubm h LEU 90 N 0.88 0.53 -0.73 0.00 5.85 -0.57 -0.41 115.31 120.86 1ubm h LEU 90 Ca 0.31 -0.33 -0.06 0.00 0.84 0.00 0.00 57.88 58.64 1ubm h LEU 90 Cb 0.07 -0.14 -0.03 0.00 0.37 0.00 0.00 40.66 40.93 1ubm h LEU 90 CO -0.13 0.73 0.22 0.00 -0.34 0.00 0.00 178.44 178.92 1ubm h ALA 91 N 0.82 0.96 -0.37 1.25 0.00 -0.64 0.27 119.26 121.54 1ubm h ALA 91 Ca 0.08 -0.23 -0.15 0.00 0.00 0.00 0.00 54.91 54.61 1ubm h ALA 91 Cb 0.47 -0.28 -0.01 0.00 0.00 0.00 0.00 17.79 17.97 1ubm h ALA 91 CO 0.02 0.65 -0.36 0.77 0.00 0.00 0.00 179.25 180.33 1ubm h SER 92 N 1.09 0.92 -0.52 0.00 0.02 -0.90 0.78 113.55 114.94 1ubm h SER 92 Ca 0.24 -0.41 -0.11 0.00 -0.84 0.00 0.00 61.79 60.67 1ubm h SER 92 Cb 0.32 -0.26 -0.02 0.00 0.14 0.00 0.00 62.40 62.58 1ubm h SER 92 CO -0.01 1.18 -0.09 0.74 -1.14 0.00 0.00 176.83 177.52 1ubm h THR 93 N 0.72 1.27 -0.67 -2.27 2.02 -0.79 0.14 112.91 113.33 1ubm h THR 93 Ca 0.07 -1.24 -0.02 0.00 0.77 0.00 0.00 66.41 65.99 1ubm h THR 93 Cb 0.94 0.99 -0.03 0.00 -1.74 0.00 0.00 68.15 68.30 1ubm h THR 93 CO 0.09 0.43 0.34 0.03 0.37 0.00 0.00 175.52 176.79 1ubm h ARG 94 N 0.86 0.94 -0.07 6.66 3.08 -0.30 0.84 114.38 126.39 1ubm h ARG 94 Ca 0.14 -0.11 -0.01 0.00 0.07 0.00 0.00 59.98 60.07 1ubm h ARG 94 Cb 0.65 -0.18 -0.00 0.00 0.08 0.00 0.00 29.97 30.52 1ubm h ARG 94 CO 0.05 0.71 0.02 0.00 -1.07 0.00 0.00 179.97 179.67 1ubm h VAL 96 N -0.10 1.36 -0.65 0.00 2.07 -0.81 -1.00 116.25 117.12 1ubm h VAL 96 Ca 0.02 -2.07 0.13 0.00 0.82 0.00 0.00 66.70 65.60 1ubm h VAL 96 Cb 0.23 2.05 -0.10 0.00 -1.52 0.00 0.00 31.29 31.95 1ubm h VAL 96 CO -0.00 0.63 0.12 0.44 0.02 0.00 0.00 177.57 178.78 1ubm h ASP 97 N 0.33 -0.03 -0.24 0.57 3.45 -0.82 -0.93 116.42 118.74 1ubm h ASP 97 Ca -0.03 0.13 -0.03 0.00 0.43 0.00 0.00 57.03 57.53 1ubm h ASP 97 Cb 1.29 0.18 -0.01 0.00 -0.56 0.00 0.00 39.33 40.23 1ubm h ASP 97 CO 0.13 -0.02 0.03 -1.13 -1.57 0.00 0.00 179.24 176.68 1ubm h ASN 98 N 0.24 0.39 -0.80 6.45 -0.73 -0.99 0.31 115.58 120.45 1ubm h ASN 98 Ca 0.35 -0.27 0.02 0.00 1.87 0.00 0.00 56.30 58.27 1ubm h ASN 98 Cb 0.55 -0.10 -0.04 0.00 0.27 0.00 0.00 38.32 38.99 1ubm h ASN 98 CO -0.46 0.56 0.53 0.00 -0.37 0.00 0.00 177.43 177.69 1ubm h ALA 99 N 0.85 1.48 0.00 1.57 0.00 -0.76 -2.71 119.26 119.69 1ubm h ALA 99 Ca 0.07 -0.05 -0.03 0.00 0.00 0.00 0.00 54.91 54.91 1ubm h ALA 99 Cb 0.34 -0.30 -0.00 0.00 0.00 0.00 0.00 17.79 17.83 1ubm h ALA 99 CO 0.01 0.46 -0.33 0.28 0.00 0.00 0.00 179.25 179.66 1ubm h VAL 100 N 1.03 0.20 -0.05 0.00 2.07 -1.07 -3.44 116.25 114.99 1ubm h VAL 100 Ca 0.31 -1.29 -0.02 0.00 0.82 0.00 0.00 66.70 66.52 1ubm h VAL 100 Cb -0.03 2.01 -0.01 0.00 -1.52 0.00 0.00 31.29 31.74 1ubm h VAL 100 CO -0.08 0.11 -0.02 0.61 0.02 0.00 0.00 177.57 178.21 1ubm n GLY 101 N 1.15 0.44 3.82 2.17 0.00 0.00 -4.77 105.19 108.01 1ubm n GLY 101 Ca 0.02 -1.04 -0.38 0.00 0.00 0.00 0.00 46.02 44.63 1ubm n GLY 101 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1ubm s VAL 102 N -2.03 4.79 -0.36 1.61 0.11 -0.65 -5.03 120.40 118.84 1ubm s VAL 102 Ca 0.00 1.11 -0.06 0.00 -2.93 0.00 0.00 61.98 60.10 1ubm s VAL 102 Cb 0.00 -3.85 0.06 0.00 -1.53 0.00 0.00 36.38 31.06 1ubm s VAL 102 CO 0.00 0.49 0.13 -1.00 -3.33 0.00 0.00 175.10 171.39 1ubm s HIS 103 N -1.18 3.32 0.72 1.54 0.09 -1.26 -4.66 115.29 113.84 1ubm s HIS 103 Ca 0.30 -1.65 -0.11 0.00 -0.00 0.00 0.00 55.06 53.60 1ubm s HIS 103 Cb -0.18 -2.51 0.02 0.00 -0.00 0.00 0.00 32.58 29.91 1ubm s HIS 103 CO 0.18 -0.80 1.08 0.96 -0.00 0.00 0.00 174.74 176.16 1ubm s ILE 104 N 1.35 3.66 0.76 0.60 -4.36 -1.26 -4.87 121.20 117.07 1ubm s ILE 104 Ca -0.00 0.58 -0.14 0.00 -0.26 0.00 0.00 60.65 60.83 1ubm s ILE 104 Cb -0.21 -3.17 0.06 0.00 1.25 0.00 0.00 42.46 40.39 1ubm s ILE 104 CO 0.01 -0.67 1.18 -2.84 0.24 0.00 0.00 174.94 172.87 1ubm s PRO 105 N -4.82 1.99 0.24 0.37 0.02 -1.26 -4.84 135.00 126.70 1ubm s PRO 105 Ca 0.61 1.67 -0.09 0.00 0.02 0.00 0.00 61.00 63.20 1ubm s PRO 105 Cb -0.16 -1.83 0.37 0.00 0.02 0.00 0.00 34.50 32.90 1ubm s PRO 105 CO 0.53 -1.93 1.62 0.87 -0.33 0.00 0.00 177.00 177.77 1ubm h LYS 106 N -0.60 0.05 0.00 5.54 1.57 -1.94 -0.51 116.57 120.69 1ubm h LYS 106 Ca -0.47 -0.00 -0.08 0.00 -1.87 0.00 0.00 60.65 58.23 1ubm h LYS 106 Cb 1.28 -0.01 -0.01 0.00 0.08 0.00 0.00 32.23 33.57 1ubm h LYS 106 CO 0.49 0.04 -0.38 -0.91 -0.57 0.00 0.00 179.45 178.12 1ubm h ASN 107 N 0.06 0.00 -0.63 0.86 2.35 -1.92 -0.06 115.58 116.24 1ubm h ASN 107 Ca 0.38 0.00 -0.07 0.00 -0.55 0.00 0.00 56.30 56.06 1ubm h ASN 107 Cb 0.64 0.00 -0.03 0.00 0.05 0.00 0.00 38.32 38.98 1ubm h ASN 107 CO -0.69 0.38 0.12 0.00 -1.65 0.00 0.00 177.43 175.58 1ubm h ALA 108 N 1.62 0.84 -0.36 -0.83 0.00 -1.31 0.65 119.26 119.87 1ubm h ALA 108 Ca -0.00 -0.25 -0.02 0.00 0.00 0.00 0.00 54.91 54.63 1ubm h ALA 108 Cb 0.75 -0.24 -0.02 0.00 0.00 0.00 0.00 17.79 18.28 1ubm h ALA 108 CO 0.05 0.58 0.13 1.15 0.00 0.00 0.00 179.25 181.16 1ubm h THR 109 N 0.95 1.20 -0.22 0.00 2.02 -0.74 0.28 112.91 116.40 1ubm h THR 109 Ca 0.19 -0.63 0.01 0.00 0.77 0.00 0.00 66.41 66.75 1ubm h THR 109 Cb 0.41 0.93 -0.01 0.00 -1.74 0.00 0.00 68.15 67.73 1ubm h THR 109 CO 0.01 0.22 0.14 1.88 0.37 0.00 0.00 175.52 178.13 1ubm h TYR 110 N 0.44 0.25 -0.48 3.16 0.99 -0.78 0.48 116.97 121.04 1ubm h TYR 110 Ca 0.12 0.01 -0.10 0.00 2.00 0.00 0.00 58.73 60.76 1ubm h TYR 110 Cb 0.21 -0.08 -0.02 0.00 1.00 0.00 0.00 36.73 37.84 1ubm h TYR 110 CO 0.00 0.16 -0.09 0.82 -0.00 0.00 0.00 178.16 179.05 1ubm h ILE 111 N 0.28 1.27 -0.63 -2.88 2.04 -0.72 0.11 117.51 116.99 1ubm h ILE 111 Ca 0.08 -1.21 -0.03 0.00 1.00 0.00 0.00 64.86 64.70 1ubm h ILE 111 Cb -0.02 1.06 -0.03 0.00 -0.74 0.00 0.00 36.82 37.09 1ubm h ILE 111 CO -0.03 0.42 0.27 0.03 0.00 0.00 0.00 178.15 178.84 1ubm h ARG 112 N 0.77 0.92 -0.72 2.37 3.08 -0.82 -1.58 114.38 118.40 1ubm h ARG 112 Ca 0.13 -0.16 -0.02 0.00 0.07 0.00 0.00 59.98 60.00 1ubm h ARG 112 Cb 0.64 -0.16 -0.03 0.00 0.08 0.00 0.00 29.97 30.50 1ubm h ARG 112 CO 0.04 0.77 0.38 -0.91 -1.07 0.00 0.00 179.97 179.17 1ubm h ASN 113 N 0.87 0.91 -0.45 7.04 -0.26 -0.47 -2.18 115.58 121.04 1ubm h ASN 113 Ca 0.21 -0.08 -0.10 0.00 -0.56 0.00 0.00 56.30 55.77 1ubm h ASN 113 Cb 0.17 -0.23 -0.01 0.00 -1.06 0.00 0.00 38.32 37.19 1ubm h ASN 113 CO -0.02 0.75 -0.11 -0.07 -1.06 0.00 0.00 177.43 176.92 1ubm h LEU 114 N 1.01 0.88 -0.78 1.61 3.38 -0.34 -0.01 115.31 121.06 1ubm h LEU 114 Ca 0.25 -0.36 -0.06 0.00 0.09 0.00 0.00 57.88 57.80 1ubm h LEU 114 Cb 0.06 -0.24 -0.03 0.00 0.09 0.00 0.00 40.66 40.54 1ubm h LEU 114 CO -0.04 1.04 0.24 0.58 0.09 0.00 0.00 178.44 180.35 1ubm h VAL 115 N 0.71 1.26 -0.61 1.22 2.07 -1.22 -1.37 116.25 118.31 1ubm h VAL 115 Ca 0.11 -0.90 -0.06 0.00 0.82 0.00 0.00 66.70 66.67 1ubm h VAL 115 Cb 0.65 0.43 -0.02 0.00 -1.52 0.00 0.00 31.29 30.83 1ubm h VAL 115 CO 0.04 0.36 0.15 0.25 0.02 0.00 0.00 177.57 178.39 1ubm h LEU 116 N 1.10 0.92 -0.97 2.57 5.85 -1.14 -0.02 115.31 123.63 1ubm h LEU 116 Ca 0.24 -0.23 -0.01 0.00 0.84 0.00 0.00 57.88 58.72 1ubm h LEU 116 Cb 0.30 -0.24 -0.04 0.00 0.37 0.00 0.00 40.66 41.04 1ubm h LEU 116 CO -0.01 0.91 0.52 1.23 -0.34 0.00 0.00 178.44 180.75 1ubm h GLY 117 N 0.88 1.32 1.01 3.75 0.00 -0.64 -1.52 103.07 107.87 1ubm h GLY 117 Ca 0.19 -0.57 -0.02 0.00 0.00 0.00 0.00 47.33 46.93 1ubm h GLY 117 CO 0.00 0.55 0.34 0.00 0.00 0.00 0.00 176.54 177.43 1ubm h ALA 118 N 1.32 0.88 -0.60 3.60 0.00 -0.89 -2.64 119.26 120.93 1ubm h ALA 118 Ca 0.32 -0.14 0.05 0.00 0.00 0.00 0.00 54.91 55.14 1ubm h ALA 118 Cb -0.02 -0.27 -0.05 0.00 0.00 0.00 0.00 17.79 17.45 1ubm h ALA 118 CO -0.06 0.44 0.33 0.37 0.00 0.00 0.00 179.25 180.33 1ubm h GLN 119 N 0.95 0.61 -0.73 0.00 5.75 -0.07 -1.93 115.11 119.70 1ubm h GLN 119 Ca 0.24 -0.04 0.03 0.00 -0.15 0.00 0.00 58.65 58.73 1ubm h GLN 119 Cb 0.10 -0.14 -0.05 0.00 1.07 0.00 0.00 27.48 28.47 1ubm h GLN 119 CO -0.03 0.41 0.46 1.88 -2.65 0.00 0.00 178.83 178.89 1ubm h TYR 120 N 0.63 0.86 -0.09 3.99 -1.99 -0.97 0.77 116.97 120.18 1ubm h TYR 120 Ca 0.26 0.02 -0.01 0.00 2.00 0.00 0.00 58.73 61.01 1ubm h TYR 120 Cb 0.13 -0.28 -0.00 0.00 2.00 0.00 0.00 36.73 38.58 1ubm h TYR 120 CO -0.08 0.49 0.02 -0.07 -0.00 0.00 0.00 178.16 178.52 1ubm h LEU 121 N 0.90 0.13 -0.04 3.88 3.38 -1.17 -0.35 115.31 122.03 1ubm h LEU 121 Ca 0.30 -0.24 0.02 0.00 0.09 0.00 0.00 57.88 58.05 1ubm h LEU 121 Cb 0.02 -0.03 -0.02 0.00 0.09 0.00 0.00 40.66 40.71 1ubm h LEU 121 CO -0.11 0.34 -0.08 -0.74 0.09 0.00 0.00 178.44 177.93 1ubm h HIS 122 N -0.08 -0.21 0.16 1.13 2.76 -1.17 -2.15 115.15 115.60 1ubm h HIS 122 Ca 0.03 0.01 -0.01 0.00 -2.20 0.00 0.00 60.37 58.20 1ubm h HIS 122 Cb 0.26 0.10 0.00 0.00 1.55 0.00 0.00 27.41 29.32 1ubm h HIS 122 CO 0.01 -0.13 -0.08 0.22 -1.30 0.00 0.00 177.93 176.65 1ubm h ASP 123 N -0.12 -0.19 -0.31 3.26 1.82 -0.69 -1.94 116.42 118.25 1ubm h ASP 123 Ca 0.05 -0.10 -0.07 0.00 -0.39 0.00 0.00 57.03 56.52 1ubm h ASP 123 Cb 0.19 0.05 -0.02 0.00 0.68 0.00 0.00 39.33 40.23 1ubm h ASP 123 CO -0.12 -0.01 -0.04 0.45 -1.61 0.00 0.00 179.24 177.91 1ubm h HIS 124 N -0.35 0.74 -0.15 0.28 3.86 -1.06 0.12 115.15 118.58 1ubm h HIS 124 Ca -0.02 -0.11 -0.01 0.00 -1.16 0.00 0.00 60.37 59.07 1ubm h HIS 124 Cb 0.27 -0.20 -0.01 0.00 1.06 0.00 0.00 27.41 28.54 1ubm h HIS 124 CO -0.03 0.72 0.06 0.82 0.86 0.00 0.00 177.93 180.37 1ubm h ILE 125 N 0.65 1.15 -0.58 2.45 2.04 -1.27 -1.22 117.51 120.71 1ubm h ILE 125 Ca 0.12 -0.44 -0.05 0.00 1.00 0.00 0.00 64.86 65.49 1ubm h ILE 125 Cb 0.46 1.16 -0.03 0.00 -0.74 0.00 0.00 36.82 37.68 1ubm h ILE 125 CO 0.02 0.14 0.17 0.58 0.00 0.00 0.00 178.15 179.06 1ubm h VAL 126 N 0.10 1.23 0.22 1.67 2.07 -1.13 -2.47 116.25 117.93 1ubm h VAL 126 Ca 0.05 -0.79 -0.01 0.00 0.82 0.00 0.00 66.70 66.77 1ubm h VAL 126 Cb 0.16 0.60 0.00 0.00 -1.52 0.00 0.00 31.29 30.53 1ubm h VAL 126 CO -0.00 0.30 -0.11 -0.74 0.02 0.00 0.00 177.57 177.04 1ubm h HIS 127 N 0.86 -0.27 -0.38 1.57 -0.00 -0.65 0.42 115.15 116.70 1ubm h HIS 127 Ca 0.19 -0.01 0.01 0.00 -0.00 0.00 0.00 60.37 60.56 1ubm h HIS 127 Cb 0.26 0.09 -0.02 0.00 -0.00 0.00 0.00 27.41 27.74 1ubm h HIS 127 CO 0.02 -0.09 0.25 0.35 -0.00 0.00 0.00 177.93 178.45 1ubm h PHE 128 N -0.39 0.47 0.00 5.26 3.04 -1.12 0.33 116.94 124.52 1ubm h PHE 128 Ca -0.03 0.01 -0.02 0.00 3.98 0.00 0.00 57.97 61.91 1ubm h PHE 128 Cb 0.30 -0.16 -0.00 0.00 2.56 0.00 0.00 35.95 38.65 1ubm h PHE 128 CO -0.03 0.29 -0.18 1.88 -2.02 0.00 0.00 178.31 178.25 1ubm h TYR 129 N 0.51 0.00 0.00 0.41 0.05 -1.39 0.00 116.97 116.55 1ubm h TYR 129 Ca 0.14 0.00 0.00 0.00 0.05 0.00 0.00 58.73 58.92 1ubm h TYR 129 Cb -0.05 0.00 0.00 0.00 1.01 0.00 0.00 36.73 37.69 1ubm h TYR 129 CO -0.05 0.56 -0.82 0.45 -1.05 0.00 0.00 178.16 177.25 1ubm h HIS 130 N -1.00 0.00 0.00 4.88 3.86 -0.26 -3.31 115.15 119.32 1ubm h HIS 130 Ca -0.04 0.00 -0.29 0.00 -1.16 0.00 0.00 60.37 58.88 1ubm h HIS 130 Cb 0.59 0.00 -0.05 0.00 1.06 0.00 0.00 27.41 29.01 1ubm h HIS 130 CO 0.10 0.00 -2.00 1.28 0.86 0.00 0.00 177.93 178.18 1ubm n LEU 131 N -2.53 1.73 0.04 2.43 4.77 -0.86 -4.85 117.00 117.71 1ubm n LEU 131 Ca 0.01 0.14 -0.22 0.00 -0.03 0.00 0.00 56.01 55.91 1ubm n LEU 131 Cb 0.51 -0.55 -0.14 0.00 -2.33 0.00 0.00 43.42 40.91 1ubm n LEU 131 CO 0.39 0.48 -0.68 -0.74 -1.33 0.00 0.00 177.39 175.51 1ubm h HIS 132 N -0.47 0.59 -0.21 -1.77 2.76 -0.37 -3.40 115.15 112.28 1ubm h HIS 132 Ca -0.44 -0.43 0.06 0.00 -2.20 0.00 0.00 60.37 57.36 1ubm h HIS 132 Cb 1.45 -0.02 -0.01 0.00 1.55 0.00 0.00 27.41 30.38 1ubm h HIS 132 CO -0.04 1.74 0.16 0.00 -1.30 0.00 0.00 177.93 178.49 1ubm h ALA 133 N 0.08 2.13 0.00 5.26 0.00 -1.07 -0.78 119.26 124.88 1ubm h ALA 133 Ca -0.39 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.52 1ubm h ALA 133 Cb 2.06 0.02 0.00 0.00 0.00 0.00 0.00 17.79 19.87 1ubm h ALA 133 CO 0.13 -0.27 0.00 1.28 0.00 0.00 0.00 179.25 180.39 1ubm n LEU 134 N -4.36 0.00 0.15 0.00 4.77 -1.26 -0.49 117.00 115.80 1ubm n LEU 134 Ca 0.02 0.30 0.13 0.00 -0.03 0.00 0.00 56.01 56.43 1ubm n LEU 134 Cb 0.30 -0.30 0.39 0.00 -2.33 0.00 0.00 43.42 41.49 1ubm n LEU 134 CO 0.34 -0.11 0.87 0.44 -1.33 0.00 0.00 177.39 177.61 1ubm h ASP 135 N 0.00 0.00 0.00 -1.43 3.32 -1.42 -3.38 116.42 113.51 1ubm h ASP 135 Ca 0.00 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 1ubm h ASP 135 Cb 0.19 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.74 1ubm h ASP 135 CO 0.00 0.00 -0.64 0.49 -1.72 0.00 0.00 179.24 177.37 1ubm n PHE 136 N -2.51 0.00 -3.86 4.55 3.01 -0.34 -4.95 117.46 113.36 1ubm n PHE 136 Ca 0.04 0.00 -0.36 0.00 1.01 0.00 0.00 57.45 58.14 1ubm n PHE 136 Cb 0.41 0.00 -0.11 0.00 -0.01 0.00 0.00 39.48 39.77 1ubm n PHE 136 CO 0.00 0.00 0.00 0.08 1.01 0.00 0.00 176.76 177.85 1ubm s VAL 137 N -1.34 4.64 -0.71 -4.37 1.01 0.35 -4.60 120.40 115.38 1ubm s VAL 137 Ca 0.00 -0.07 -0.22 0.00 0.00 0.00 0.00 61.98 61.69 1ubm s VAL 137 Cb 0.00 -3.14 0.08 0.00 0.00 0.00 0.00 36.38 33.32 1ubm s VAL 137 CO 0.00 0.38 0.99 -0.62 0.00 0.00 0.00 175.10 175.85 1ubm s ASP 138 N 1.08 6.26 0.31 3.32 -1.08 -1.26 -4.67 116.67 120.63 1ubm s ASP 138 Ca 0.05 -1.20 0.03 0.00 -0.52 0.00 0.00 52.55 50.91 1ubm s ASP 138 Cb -0.14 -2.41 0.49 0.00 -1.46 0.00 0.00 42.92 39.40 1ubm s ASP 138 CO 0.03 -1.37 1.80 0.58 0.52 0.00 0.00 175.17 176.74 1ubm h VAL 139 N 5.97 1.23 0.00 1.11 2.07 -1.95 -2.63 116.25 122.04 1ubm h VAL 139 Ca -0.20 -0.98 -0.08 0.00 0.82 0.00 0.00 66.70 66.26 1ubm h VAL 139 Cb 1.06 1.07 -0.01 0.00 -1.52 0.00 0.00 31.29 31.89 1ubm h VAL 139 CO 1.17 0.33 -0.38 0.71 0.02 0.00 0.00 177.57 179.42 1ubm h THR 140 N 0.52 1.24 0.00 2.57 1.35 -1.96 -2.19 112.91 114.43 1ubm h THR 140 Ca 0.10 -1.33 0.00 0.00 -0.55 0.00 0.00 66.41 64.63 1ubm h THR 140 Cb 0.46 1.72 0.00 0.00 -1.73 0.00 0.00 68.15 68.61 1ubm h THR 140 CO 0.02 0.38 0.00 0.00 -0.25 0.00 0.00 175.52 175.67 1ubm n ALA 141 N -2.45 1.50 0.29 6.62 0.00 -0.99 -1.36 120.51 124.12 1ubm n ALA 141 Ca -0.02 0.12 0.16 0.00 0.00 0.00 0.00 53.44 53.71 1ubm n ALA 141 Cb 0.42 -1.37 0.85 0.00 0.00 0.00 0.00 19.45 19.35 1ubm n ALA 141 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1ubm h ALA 142 N 2.19 1.17 0.00 0.00 0.00 -1.41 -2.39 119.26 118.82 1ubm h ALA 142 Ca 0.00 -0.05 -0.05 0.00 0.00 0.00 0.00 54.91 54.80 1ubm h ALA 142 Cb 0.27 -0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.05 1ubm h ALA 142 CO 0.00 0.07 -0.26 -0.07 0.00 0.00 0.00 179.25 179.00 1ubm h LEU 143 N 0.00 0.00 -0.00 0.00 4.07 -1.37 -2.70 115.31 115.31 1ubm h LEU 143 Ca -0.00 0.00 0.00 0.00 0.08 0.00 0.00 57.88 57.96 1ubm h LEU 143 Cb 0.27 0.00 0.00 0.00 1.08 0.00 0.00 40.66 42.01 1ubm h LEU 143 CO 0.01 0.26 -0.02 0.29 -1.08 0.00 0.00 178.44 177.90 1ubm n LYS 144 N -4.00 0.04 -2.18 1.13 4.76 -0.90 -4.95 118.16 112.05 1ubm n LYS 144 Ca -0.02 -0.00 -0.33 0.00 -2.87 0.00 0.00 58.31 55.09 1ubm n LYS 144 Cb 0.33 -1.50 -0.00 0.00 -1.84 0.00 0.00 35.03 32.02 1ubm n LYS 144 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 1ubm s ALA 145 N -2.96 2.79 -0.45 7.82 0.00 -1.02 -4.97 121.76 122.97 1ubm s ALA 145 Ca 0.15 0.43 -0.22 0.00 0.00 0.00 0.00 51.96 52.31 1ubm s ALA 145 Cb 0.19 -3.23 0.03 0.00 0.00 0.00 0.00 23.12 20.11 1ubm s ALA 145 CO 0.53 -0.66 0.75 0.34 0.00 0.00 0.00 175.76 176.72 1ubm s ASP 146 N -2.63 6.38 0.47 0.00 -1.08 -1.26 -4.96 116.67 113.59 1ubm s ASP 146 Ca 0.64 -0.20 0.21 0.00 -0.52 0.00 0.00 52.55 52.68 1ubm s ASP 146 Cb -0.16 -2.37 1.17 0.00 -1.46 0.00 0.00 42.92 40.10 1ubm s ASP 146 CO 0.33 -0.88 1.99 1.55 0.52 0.00 0.00 175.17 178.67 1ubm h PRO 147 N 8.96 0.00 -0.34 4.34 0.13 -1.94 -0.71 132.00 142.44 1ubm h PRO 147 Ca -0.25 0.00 -0.08 0.00 -0.87 0.00 0.00 66.00 64.80 1ubm h PRO 147 Cb 1.09 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.21 1ubm h PRO 147 CO 0.94 0.19 -0.11 0.00 -0.23 0.00 0.00 178.00 178.80 1ubm h ALA 148 N 1.81 0.47 -0.40 -0.56 0.00 -1.93 0.25 119.26 118.90 1ubm h ALA 148 Ca -0.00 -0.31 -0.09 0.00 0.00 0.00 0.00 54.91 54.51 1ubm h ALA 148 Cb 0.42 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 18.08 1ubm h ALA 148 CO 0.02 0.34 -0.08 -0.22 0.00 0.00 0.00 179.25 179.31 1ubm h LYS 149 N 0.46 0.77 -0.87 0.00 3.64 -1.85 -1.59 116.57 117.12 1ubm h LYS 149 Ca 0.08 -0.29 0.07 0.00 -1.27 0.00 0.00 60.65 59.25 1ubm h LYS 149 Cb 0.62 -0.05 -0.07 0.00 -0.41 0.00 0.00 32.23 32.33 1ubm h LYS 149 CO 0.04 0.89 0.54 0.00 -2.27 0.00 0.00 179.45 178.65 1ubm h ALA 150 N 0.85 1.22 -0.41 5.00 0.00 -1.07 -0.86 119.26 123.98 1ubm h ALA 150 Ca 0.10 0.00 -0.06 0.00 0.00 0.00 0.00 54.91 54.95 1ubm h ALA 150 Cb 0.60 -0.22 -0.02 0.00 0.00 0.00 0.00 17.79 18.16 1ubm h ALA 150 CO 0.04 0.25 0.01 0.00 0.00 0.00 0.00 179.25 179.54 1ubm h ALA 151 N 1.43 1.24 -0.60 0.00 0.00 -0.12 0.41 119.26 121.61 1ubm h ALA 151 Ca 0.39 -0.23 -0.04 0.00 0.00 0.00 0.00 54.91 55.03 1ubm h ALA 151 Cb 0.23 -0.17 -0.03 0.00 0.00 0.00 0.00 17.79 17.82 1ubm h ALA 151 CO -0.19 0.51 0.23 -0.22 0.00 0.00 0.00 179.25 179.57 1ubm h LYS 152 N 0.63 0.91 -0.39 0.00 3.64 -0.26 -1.34 116.57 119.76 1ubm h LYS 152 Ca 0.13 -0.18 -0.05 0.00 -1.27 0.00 0.00 60.65 59.29 1ubm h LYS 152 Cb 0.38 -0.14 -0.01 0.00 -0.41 0.00 0.00 32.23 32.05 1ubm h LYS 152 CO 0.01 0.79 0.05 0.28 -2.27 0.00 0.00 179.45 178.32 1ubm h VAL 153 N 0.85 1.24 -0.58 2.00 2.07 -0.73 -1.32 116.25 119.78 1ubm h VAL 153 Ca 0.20 -0.88 -0.04 0.00 0.82 0.00 0.00 66.70 66.80 1ubm h VAL 153 Cb 0.23 1.07 -0.03 0.00 -1.52 0.00 0.00 31.29 31.04 1ubm h VAL 153 CO -0.01 0.30 0.20 0.00 0.02 0.00 0.00 177.57 178.07 1ubm h ALA 154 N 0.91 1.26 0.00 1.67 0.00 -0.60 -1.45 119.26 121.05 1ubm h ALA 154 Ca 0.12 -0.18 -0.02 0.00 0.00 0.00 0.00 54.91 54.83 1ubm h ALA 154 Cb 0.38 -0.24 -0.00 0.00 0.00 0.00 0.00 17.79 17.93 1ubm h ALA 154 CO 0.01 0.53 -0.09 0.77 0.00 0.00 0.00 179.25 180.47 1ubm h SER 155 N 0.84 0.00 1.06 0.00 0.02 -1.07 -2.86 113.55 111.54 1ubm h SER 155 Ca 0.19 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.14 1ubm h SER 155 Cb 0.22 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.76 1ubm h SER 155 CO -0.01 0.09 -0.24 -1.54 -1.14 0.00 0.00 176.83 173.99 1ubm n SER 156 N -3.16 0.55 -0.28 3.07 3.41 -0.51 -3.94 113.62 112.77 1ubm n SER 156 Ca 0.02 0.32 0.08 0.00 -0.26 0.00 0.00 58.87 59.03 1ubm n SER 156 Cb 0.47 -0.32 -0.03 0.00 -0.26 0.00 0.00 64.21 64.08 1ubm n SER 156 CO 0.00 0.00 0.00 2.30 -0.16 0.00 0.00 175.04 177.18 1ubm n ILE 157 N -1.94 0.00 -3.90 -1.33 -5.35 -1.09 -4.98 119.36 100.78 1ubm n ILE 157 Ca 0.05 -0.26 -0.11 0.00 -0.27 0.00 0.00 62.75 62.17 1ubm n ILE 157 Cb 0.40 1.14 -0.11 0.00 -1.74 0.00 0.00 39.64 39.33 1ubm n ILE 157 CO 0.00 0.00 0.00 -0.55 -1.76 0.00 0.00 176.55 174.24 1ubm s SER 158 N -2.18 0.05 0.47 7.28 0.15 -1.18 -4.72 113.70 113.56 1ubm s SER 158 Ca 0.12 -0.16 0.32 0.00 0.70 0.00 0.00 55.95 56.92 1ubm s SER 158 Cb 0.14 0.16 1.46 0.00 -1.71 0.00 0.00 66.02 66.06 1ubm s SER 158 CO 0.51 -0.22 1.95 -0.65 1.20 0.00 0.00 173.24 176.03 1ubm h PRO 159 N 5.05 0.00 -6.10 5.44 0.11 -1.85 -3.42 132.00 131.23 1ubm h PRO 159 Ca -0.29 0.00 -0.58 0.00 0.11 0.00 0.00 66.00 65.24 1ubm h PRO 159 Cb 1.20 0.00 -0.06 0.00 0.11 0.00 0.00 31.00 32.26 1ubm h PRO 159 CO 0.43 0.00 0.82 0.50 -0.21 0.00 0.00 178.00 179.54 1ubm s ARG 160 N -3.66 4.24 -0.05 1.05 3.52 -1.26 -5.02 118.95 117.77 1ubm s ARG 160 Ca 0.00 1.40 -0.29 0.00 -0.13 0.00 0.00 55.73 56.71 1ubm s ARG 160 Cb 0.09 -3.67 -0.02 0.00 -1.56 0.00 0.00 34.95 29.79 1ubm s ARG 160 CO 0.43 -0.66 0.96 0.15 -0.81 0.00 0.00 175.30 175.37 1ubm s LYS 161 N 3.28 4.49 -0.04 5.12 1.02 -1.26 -4.46 119.74 127.89 1ubm s LYS 161 Ca 0.46 1.34 0.07 0.00 0.02 0.00 0.00 55.97 57.86 1ubm s LYS 161 Cb -0.16 -3.49 -0.01 0.00 -0.52 0.00 0.00 37.83 33.64 1ubm s LYS 161 CO 0.08 -0.14 -0.25 0.99 -0.92 0.00 0.00 175.35 175.11 1ubm s THR 162 N 1.38 2.00 0.31 2.17 2.01 -1.26 -5.04 115.64 117.21 1ubm s THR 162 Ca 0.49 -1.05 0.09 0.00 0.31 0.00 0.00 61.69 61.52 1ubm s THR 162 Cb -0.20 -1.68 -0.04 0.00 0.01 0.00 0.00 72.50 70.59 1ubm s THR 162 CO 0.23 0.56 0.07 0.42 -0.69 0.00 0.00 174.62 175.21 1ubm s THR 163 N -0.33 3.23 0.28 -0.82 -4.23 -1.26 -4.64 115.64 107.86 1ubm s THR 163 Ca 0.02 -1.79 0.00 0.00 -1.18 0.00 0.00 61.69 58.74 1ubm s THR 163 Cb -0.12 -2.93 0.27 0.00 1.34 0.00 0.00 72.50 71.06 1ubm s THR 163 CO 0.02 -0.27 1.82 0.00 -0.54 0.00 0.00 174.62 175.65 1ubm h ALA 164 N 1.70 1.45 -0.15 3.99 0.00 -1.87 -1.66 119.26 122.72 1ubm h ALA 164 Ca -0.44 0.03 -0.09 0.00 0.00 0.00 0.00 54.91 54.41 1ubm h ALA 164 Cb 1.25 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 18.85 1ubm h ALA 164 CO 0.62 0.17 -0.32 0.00 0.00 0.00 0.00 179.25 179.72 1ubm h ALA 165 N 1.53 1.17 -0.39 0.00 0.00 -1.95 0.10 119.26 119.72 1ubm h ALA 165 Ca 0.48 -0.36 0.06 0.00 0.00 0.00 0.00 54.91 55.09 1ubm h ALA 165 Cb 0.51 -0.10 -0.05 0.00 0.00 0.00 0.00 17.79 18.15 1ubm h ALA 165 CO -0.28 0.54 0.07 -0.44 0.00 0.00 0.00 179.25 179.15 1ubm h ASP 166 N 0.27 -0.00 1.38 0.00 3.32 -1.72 -1.22 116.42 118.45 1ubm h ASP 166 Ca 0.03 0.07 -0.12 0.00 0.02 0.00 0.00 57.03 57.03 1ubm h ASP 166 Cb 0.71 0.09 -0.02 0.00 0.22 0.00 0.00 39.33 40.33 1ubm h ASP 166 CO 0.05 0.04 -0.56 -0.07 -1.72 0.00 0.00 179.24 176.98 1ubm h LEU 167 N 0.20 0.00 -0.99 1.55 3.38 -0.97 -2.95 115.31 115.52 1ubm h LEU 167 Ca 0.19 0.00 -0.10 0.00 0.09 0.00 0.00 57.88 58.06 1ubm h LEU 167 Cb 0.23 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 40.96 1ubm h LEU 167 CO -0.25 0.56 -0.41 0.50 0.09 0.00 0.00 178.44 178.93 1ubm h LYS 168 N 0.00 0.19 -0.77 1.13 3.64 -0.42 -0.93 116.57 119.42 1ubm h LYS 168 Ca -0.01 -0.09 -0.03 0.00 -1.27 0.00 0.00 60.65 59.26 1ubm h LYS 168 Cb 1.40 -0.00 -0.04 0.00 -0.41 0.00 0.00 32.23 33.18 1ubm h LYS 168 CO 0.07 0.57 0.38 0.00 -2.27 0.00 0.00 179.45 178.20 1ubm h ALA 169 N 1.42 1.22 -0.23 5.00 0.00 -1.06 0.36 119.26 125.97 1ubm h ALA 169 Ca 0.01 -0.14 -0.06 0.00 0.00 0.00 0.00 54.91 54.72 1ubm h ALA 169 Cb 0.79 -0.31 -0.01 0.00 0.00 0.00 0.00 17.79 18.27 1ubm h ALA 169 CO 0.06 0.60 -0.11 0.28 0.00 0.00 0.00 179.25 180.09 1ubm h VAL 170 N 1.09 1.30 -0.77 0.00 2.07 -1.39 -1.32 116.25 117.22 1ubm h VAL 170 Ca 0.27 -1.18 0.03 0.00 0.82 0.00 0.00 66.70 66.64 1ubm h VAL 170 Cb 0.09 1.59 -0.05 0.00 -1.52 0.00 0.00 31.29 31.40 1ubm h VAL 170 CO -0.04 0.36 0.50 -0.61 0.02 0.00 0.00 177.57 177.80 1ubm h GLN 171 N 0.19 0.95 -0.52 1.57 4.15 -0.78 0.19 115.11 120.86 1ubm h GLN 171 Ca 0.05 -0.06 0.03 0.00 0.77 0.00 0.00 58.65 59.45 1ubm h GLN 171 Cb 0.60 -0.21 -0.04 0.00 0.21 0.00 0.00 27.48 28.04 1ubm h GLN 171 CO 0.03 0.63 0.30 -0.44 -1.93 0.00 0.00 178.83 177.42 1ubm h ASP 172 N 0.97 0.47 -0.45 -0.69 3.45 -0.18 0.21 116.42 120.21 1ubm h ASP 172 Ca 0.31 0.01 -0.01 0.00 0.43 0.00 0.00 57.03 57.76 1ubm h ASP 172 Cb -0.01 -0.08 -0.02 0.00 -0.56 0.00 0.00 39.33 38.66 1ubm h ASP 172 CO -0.10 0.33 0.22 0.50 -1.57 0.00 0.00 179.24 178.62 1ubm h LYS 173 N 0.59 0.64 -0.25 3.56 1.63 -0.55 -2.22 116.57 119.96 1ubm h LYS 173 Ca 0.22 -0.09 -0.07 0.00 -0.85 0.00 0.00 60.65 59.86 1ubm h LYS 173 Cb 0.06 -0.12 -0.01 0.00 -0.60 0.00 0.00 32.23 31.56 1ubm h LYS 173 CO -0.11 0.54 -0.13 1.25 -3.45 0.00 0.00 179.45 177.54 1ubm h LEU 174 N 0.58 0.41 -0.32 5.20 6.46 -0.56 -2.35 115.31 124.74 1ubm h LEU 174 Ca 0.16 -0.10 -0.02 0.00 -0.12 0.00 0.00 57.88 57.79 1ubm h LEU 174 Cb 0.10 -0.11 -0.01 0.00 -0.73 0.00 0.00 40.66 39.91 1ubm h LEU 174 CO -0.02 0.58 0.12 0.50 -0.62 0.00 0.00 178.44 178.99 1ubm h LYS 175 N 0.40 0.48 -0.71 1.25 3.64 -0.20 0.41 116.57 121.83 1ubm h LYS 175 Ca 0.07 -0.09 -0.00 0.00 -1.27 0.00 0.00 60.65 59.36 1ubm h LYS 175 Cb 0.47 -0.08 -0.03 0.00 -0.41 0.00 0.00 32.23 32.18 1ubm h LYS 175 CO 0.03 0.49 0.42 1.15 -2.27 0.00 0.00 179.45 179.28 1ubm h THR 176 N 0.36 1.20 0.27 1.00 2.02 -1.24 0.17 112.91 116.69 1ubm h THR 176 Ca 0.10 -0.46 -0.01 0.00 0.77 0.00 0.00 66.41 66.82 1ubm h THR 176 Cb 0.20 0.23 -0.01 0.00 -1.74 0.00 0.00 68.15 66.83 1ubm h THR 176 CO -0.01 0.21 -0.17 0.15 0.37 0.00 0.00 175.52 176.07 1ubm h PHE 177 N 0.97 -0.46 -0.35 3.16 3.04 -1.11 -2.08 116.94 120.11 1ubm h PHE 177 Ca 0.25 -0.00 -0.12 0.00 3.98 0.00 0.00 57.97 62.08 1ubm h PHE 177 Cb -0.03 0.16 -0.01 0.00 2.56 0.00 0.00 35.95 38.64 1ubm h PHE 177 CO -0.01 -0.27 -0.27 0.28 -2.02 0.00 0.00 178.31 176.02 1ubm h VAL 178 N -0.43 1.28 0.00 1.41 2.07 -0.67 -2.63 116.25 117.28 1ubm h VAL 178 Ca -0.02 -1.39 0.00 0.00 0.82 0.00 0.00 66.70 66.11 1ubm h VAL 178 Cb 0.37 1.30 0.00 0.00 -1.52 0.00 0.00 31.29 31.44 1ubm h VAL 178 CO 0.02 0.46 0.00 -0.62 0.02 0.00 0.00 177.57 177.44 1ubm n GLU 179 N -4.09 0.04 0.00 1.57 1.02 0.57 -1.17 120.64 118.58 1ubm n GLU 179 Ca -0.00 0.23 0.11 0.00 -0.02 0.00 0.00 57.16 57.47 1ubm n GLU 179 Cb 0.45 -1.57 0.48 0.00 -0.02 0.00 0.00 31.44 30.78 1ubm n GLU 179 CO 0.00 0.00 0.00 0.25 1.18 0.00 0.00 177.13 178.56 1ubm n THR 180 N -1.65 0.46 -0.85 2.62 -2.24 -0.79 -4.89 114.28 106.93 1ubm n THR 180 Ca 0.04 0.11 0.00 0.00 -2.27 0.00 0.00 64.05 61.93 1ubm n THR 180 Cb 0.22 -0.73 0.00 0.00 -2.10 0.00 0.00 70.33 67.72 1ubm n THR 180 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1ubm n GLY 181 N 0.78 0.94 3.24 3.38 0.00 -0.31 -4.95 105.19 108.26 1ubm n GLY 181 Ca 0.06 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.66 1ubm n GLY 181 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1ubm s GLN 182 N -0.16 3.43 0.00 1.61 -0.21 -1.26 -4.92 119.66 118.15 1ubm s GLN 182 Ca 0.00 -2.78 0.22 0.00 0.02 0.00 0.00 55.36 52.82 1ubm s GLN 182 Cb 0.00 -4.21 0.93 0.00 1.00 0.00 0.00 33.01 30.73 1ubm s GLN 182 CO 0.00 -1.25 1.69 1.28 -2.12 0.00 0.00 175.29 174.89 1ubm n LEU 183 N 3.31 0.00 0.00 2.90 4.32 -1.26 -4.85 117.00 121.42 1ubm n LEU 183 Ca 0.16 0.49 0.00 0.00 -0.02 0.00 0.00 56.01 56.64 1ubm n LEU 183 Cb 0.42 -0.49 0.00 0.00 -1.62 0.00 0.00 43.42 41.73 1ubm n LEU 183 CO 0.36 -0.13 0.00 0.61 -1.22 0.00 0.00 177.39 177.02 1ubm n GLY 184 N 0.73 3.73 0.00 -0.72 0.00 -1.26 -0.77 105.19 106.89 1ubm n GLY 184 Ca 0.05 0.14 0.03 0.00 0.00 0.00 0.00 46.02 46.25 1ubm n GLY 184 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 1ubm n PRO 185 N 14.00 0.06 0.00 1.61 -0.02 -1.26 -1.68 135.00 147.71 1ubm n PRO 185 Ca 0.00 0.28 0.11 0.00 -2.02 0.00 0.00 63.50 61.88 1ubm n PRO 185 Cb 0.00 -1.50 0.08 0.00 -0.02 0.00 0.00 33.50 32.06 1ubm n PRO 185 CO 0.00 0.00 0.00 1.19 1.98 0.00 0.00 175.50 178.67 1ubm n PHE 186 N -1.37 0.00 -1.67 6.00 3.72 0.05 -4.91 117.46 119.28 1ubm n PHE 186 Ca 0.03 0.00 -0.49 0.00 -0.05 0.00 0.00 57.45 56.93 1ubm n PHE 186 Cb 0.07 0.00 -0.05 0.00 -0.94 0.00 0.00 39.48 38.56 1ubm n PHE 186 CO 0.00 0.00 0.00 2.41 -0.05 0.00 0.00 176.76 179.12 1ubm n THR 187 N 1.13 0.25 -2.02 4.37 -1.04 -0.68 -1.38 114.28 114.91 1ubm n THR 187 Ca 0.13 -0.04 -0.19 0.00 -2.04 0.00 0.00 64.05 61.91 1ubm n THR 187 Cb 0.56 -1.51 -0.04 0.00 -1.82 0.00 0.00 70.33 67.52 1ubm n THR 187 CO 0.00 0.00 0.00 0.59 -0.64 0.00 0.00 175.07 175.02 1ubm n ASN 188 N 4.70 -5.35 -4.68 8.00 5.03 -1.26 -4.95 115.26 116.74 1ubm n ASN 188 Ca 0.20 0.18 -0.39 0.00 0.87 0.00 0.00 54.58 55.45 1ubm n ASN 188 Cb 0.26 -4.44 0.04 0.00 -1.02 0.00 0.00 39.78 34.61 1ubm n ASN 188 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.26 175.43 1ubm n ALA 189 N -0.55 0.95 0.28 5.41 0.00 -0.48 -4.86 120.51 121.25 1ubm n ALA 189 Ca -0.21 0.12 0.14 0.00 0.00 0.00 0.00 53.44 53.49 1ubm n ALA 189 Cb 0.65 -2.24 0.86 0.00 0.00 0.00 0.00 19.45 18.72 1ubm n ALA 189 CO 0.00 0.00 0.00 1.88 0.00 0.00 0.00 177.50 179.38 1ubm h TYR 190 N 1.22 0.00 0.00 0.00 0.99 -1.92 -1.94 116.97 115.32 1ubm h TYR 190 Ca -0.49 0.00 0.00 0.00 2.00 0.00 0.00 58.73 60.24 1ubm h TYR 190 Cb 1.33 0.00 0.00 0.00 1.00 0.00 0.00 36.73 39.06 1ubm h TYR 190 CO 0.43 0.00 -0.14 0.27 -0.00 0.00 0.00 178.16 178.72 1ubm h PHE 191 N 0.00 0.00 -2.65 4.88 -5.15 -1.89 -3.43 116.94 108.70 1ubm h PHE 191 Ca 0.01 0.00 -0.56 0.00 -0.20 0.00 0.00 57.97 57.22 1ubm h PHE 191 Cb 0.07 0.00 0.07 0.00 0.22 0.00 0.00 35.95 36.31 1ubm h PHE 191 CO 0.00 0.00 0.81 1.28 -2.00 0.00 0.00 178.31 178.40 1ubm n LEU 192 N -2.43 3.52 0.00 2.10 4.77 -0.73 -0.73 117.00 123.50 1ubm n LEU 192 Ca 0.05 1.11 0.00 0.00 -0.03 0.00 0.00 56.01 57.13 1ubm n LEU 192 Cb 0.46 -1.49 0.00 0.00 -2.33 0.00 0.00 43.42 40.06 1ubm n LEU 192 CO 0.32 -0.16 0.00 0.61 -1.33 0.00 0.00 177.39 176.83 1ubm n GLY 193 N 2.96 1.05 0.00 -0.72 0.00 -1.26 -4.81 105.19 102.41 1ubm n GLY 193 Ca 0.14 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.16 1ubm n GLY 193 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1ubm n GLY 194 N -2.00 0.27 3.49 -0.02 0.00 0.09 -5.10 105.19 101.93 1ubm n GLY 194 Ca 0.00 -1.66 -0.10 0.00 0.00 0.00 0.00 46.02 44.26 1ubm n GLY 194 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 173.32 171.74 1ubm s HIS 195 N -2.91 -0.81 0.44 1.61 5.04 -1.26 -4.83 115.29 112.57 1ubm s HIS 195 Ca 0.00 1.73 0.11 0.00 -1.54 0.00 0.00 55.06 55.36 1ubm s HIS 195 Cb 0.00 0.40 0.99 0.00 0.04 0.00 0.00 32.58 34.01 1ubm s HIS 195 CO 0.00 -0.41 2.05 -1.00 -2.34 0.00 0.00 174.74 173.04 1ubm h PRO 196 N 6.47 0.26 0.00 2.88 0.13 -1.99 -0.27 132.00 139.48 1ubm h PRO 196 Ca -0.31 -0.03 0.00 0.00 -0.87 0.00 0.00 66.00 64.79 1ubm h PRO 196 Cb 1.20 -0.05 0.00 0.00 0.13 0.00 0.00 31.00 32.28 1ubm h PRO 196 CO 0.19 0.23 0.00 0.00 -0.23 0.00 0.00 178.00 178.19 1ubm n ALA 197 N -2.50 2.48 -2.55 -0.56 0.00 -1.26 -4.72 120.51 111.40 1ubm n ALA 197 Ca -0.00 -0.16 -0.41 0.00 0.00 0.00 0.00 53.44 52.87 1ubm n ALA 197 Cb 0.13 -1.46 -0.09 0.00 0.00 0.00 0.00 19.45 18.03 1ubm n ALA 197 CO 0.00 0.00 0.00 0.71 0.00 0.00 0.00 177.50 178.21 1ubm s TYR 198 N -2.27 3.21 -0.19 0.00 1.51 -0.11 -4.96 117.35 114.53 1ubm s TYR 198 Ca 0.35 0.02 0.16 0.00 -1.01 0.00 0.00 57.07 56.60 1ubm s TYR 198 Cb 0.19 -2.69 -0.23 0.00 -0.11 0.00 0.00 41.96 39.12 1ubm s TYR 198 CO 0.38 -0.43 0.43 0.66 -1.11 0.00 0.00 175.55 175.47 1ubm n TYR 199 N 5.42 0.00 -2.27 2.71 4.01 -1.26 -4.80 117.16 120.97 1ubm n TYR 199 Ca -0.09 0.00 -0.35 0.00 -0.16 0.00 0.00 57.90 57.30 1ubm n TYR 199 Cb 0.49 -0.28 -0.00 0.00 -0.31 0.00 0.00 39.34 39.24 1ubm n TYR 199 CO 0.00 0.00 0.00 -0.51 -0.46 0.00 0.00 176.86 175.89 1ubm s LEU 200 N -3.80 3.81 0.61 7.72 1.02 -1.26 -5.02 118.68 121.76 1ubm s LEU 200 Ca -0.03 2.20 -0.11 0.00 0.02 0.00 0.00 54.13 56.21 1ubm s LEU 200 Cb 0.11 -4.51 -0.04 0.00 0.02 0.00 0.00 46.19 41.77 1ubm s LEU 200 CO 0.67 -1.14 1.02 1.51 0.02 0.00 0.00 176.35 178.43 1ubm s ASP 201 N -1.69 6.24 0.32 2.29 1.47 -1.26 -4.86 116.67 119.18 1ubm s ASP 201 Ca 0.71 1.41 0.07 0.00 1.18 0.00 0.00 52.55 55.92 1ubm s ASP 201 Cb -0.25 -2.47 0.77 0.00 -0.34 0.00 0.00 42.92 40.63 1ubm s ASP 201 CO 0.28 -0.85 1.79 -0.65 0.68 0.00 0.00 175.17 176.42 1ubm h PRO 202 N -0.27 0.72 -0.44 2.11 0.11 -1.94 -0.93 132.00 131.36 1ubm h PRO 202 Ca -0.44 -0.04 -0.07 0.00 0.11 0.00 0.00 66.00 65.56 1ubm h PRO 202 Cb 1.19 -0.16 -0.02 0.00 0.11 0.00 0.00 31.00 32.12 1ubm h PRO 202 CO 0.62 0.48 0.02 0.93 -0.21 0.00 0.00 178.00 179.84 1ubm h GLU 203 N 0.74 0.77 -0.27 1.05 3.07 -1.90 0.15 114.58 118.19 1ubm h GLU 203 Ca 0.56 -0.24 -0.10 0.00 -0.50 0.00 0.00 59.36 59.08 1ubm h GLU 203 Cb 0.90 -0.07 -0.01 0.00 -0.84 0.00 0.00 28.75 28.72 1ubm h GLU 203 CO -0.35 0.83 -0.27 1.15 -1.40 0.00 0.00 179.01 178.97 1ubm h THR 204 N 0.62 1.27 -0.77 1.13 2.02 -1.74 -0.41 112.91 115.02 1ubm h THR 204 Ca 0.13 -1.32 -0.03 0.00 0.77 0.00 0.00 66.41 65.96 1ubm h THR 204 Cb 0.47 1.36 -0.04 0.00 -1.74 0.00 0.00 68.15 68.20 1ubm h THR 204 CO 0.02 0.42 0.38 0.78 0.37 0.00 0.00 175.52 177.49 1ubm h ASN 205 N 0.46 1.00 -0.50 4.18 -0.26 -0.72 -0.90 115.58 118.84 1ubm h ASN 205 Ca 0.06 -0.11 -0.11 0.00 -0.56 0.00 0.00 56.30 55.59 1ubm h ASN 205 Cb 0.71 -0.26 -0.02 0.00 -1.06 0.00 0.00 38.32 37.70 1ubm h ASN 205 CO 0.05 0.84 -0.10 0.25 -1.06 0.00 0.00 177.43 177.41 1ubm h LEU 206 N 1.10 0.96 -0.70 1.61 5.85 0.06 0.36 115.31 124.54 1ubm h LEU 206 Ca 0.27 -0.35 -0.02 0.00 0.84 0.00 0.00 57.88 58.62 1ubm h LEU 206 Cb 0.10 -0.26 -0.03 0.00 0.37 0.00 0.00 40.66 40.83 1ubm h LEU 206 CO -0.04 1.09 0.37 0.40 -0.34 0.00 0.00 178.44 179.92 1ubm h ILE 207 N 0.81 1.22 -0.72 4.05 2.04 -0.76 -0.49 117.51 123.66 1ubm h ILE 207 Ca 0.13 -0.58 -0.06 0.00 1.00 0.00 0.00 64.86 65.35 1ubm h ILE 207 Cb 0.66 0.32 -0.03 0.00 -0.74 0.00 0.00 36.82 37.03 1ubm h ILE 207 CO 0.05 0.25 0.21 0.00 0.00 0.00 0.00 178.15 178.66 1ubm h ALA 208 N 1.18 1.00 -0.53 1.87 0.00 -0.98 -1.38 119.26 120.42 1ubm h ALA 208 Ca 0.24 -0.23 -0.12 0.00 0.00 0.00 0.00 54.91 54.80 1ubm h ALA 208 Cb 0.07 -0.28 -0.02 0.00 0.00 0.00 0.00 17.79 17.56 1ubm h ALA 208 CO -0.04 0.66 -0.13 1.15 0.00 0.00 0.00 179.25 180.89 1ubm h THR 209 N 1.08 1.27 -0.67 0.00 2.02 -0.57 0.39 112.91 116.44 1ubm h THR 209 Ca 0.23 -1.30 0.01 0.00 0.77 0.00 0.00 66.41 66.12 1ubm h THR 209 Cb 0.33 1.00 -0.03 0.00 -1.74 0.00 0.00 68.15 67.70 1ubm h THR 209 CO -0.00 0.46 0.44 0.00 0.37 0.00 0.00 175.52 176.78 1ubm h ALA 210 N 0.91 0.85 -0.10 6.16 0.00 -0.88 -2.28 119.26 123.93 1ubm h ALA 210 Ca 0.13 -0.04 -0.15 0.00 0.00 0.00 0.00 54.91 54.85 1ubm h ALA 210 Cb 0.71 -0.26 -0.01 0.00 0.00 0.00 0.00 17.79 18.23 1ubm h ALA 210 CO 0.05 0.26 -0.60 0.45 0.00 0.00 0.00 179.25 179.42 1ubm h HIS 211 N 0.89 0.41 -0.32 0.00 3.86 -0.92 0.28 115.15 119.36 1ubm h HIS 211 Ca 0.25 -0.16 0.07 0.00 -1.16 0.00 0.00 60.37 59.37 1ubm h HIS 211 Cb -0.08 -0.07 -0.07 0.00 1.06 0.00 0.00 27.41 28.24 1ubm h HIS 211 CO -0.03 0.84 -0.15 -0.92 0.86 0.00 0.00 177.93 178.53 1ubm h TYR 212 N 0.24 -0.37 -0.40 2.45 3.20 -0.77 0.55 116.97 121.87 1ubm h TYR 212 Ca -0.00 0.03 -0.02 0.00 3.14 0.00 0.00 58.73 61.88 1ubm h TYR 212 Cb 1.11 0.21 -0.02 0.00 1.54 0.00 0.00 36.73 39.57 1ubm h TYR 212 CO 0.03 -0.22 0.18 -0.07 -1.64 0.00 0.00 178.16 176.43 1ubm h LEU 213 N -0.10 0.54 -0.95 2.82 4.07 -1.19 -1.26 115.31 119.23 1ubm h LEU 213 Ca 0.16 -0.14 -0.00 0.00 0.08 0.00 0.00 57.88 57.98 1ubm h LEU 213 Cb 0.35 -0.14 -0.05 0.00 1.08 0.00 0.00 40.66 41.90 1ubm h LEU 213 CO -0.38 0.53 0.59 -0.08 -1.08 0.00 0.00 178.44 178.02 1ubm h GLU 214 N 0.50 1.28 -0.20 1.13 4.81 -0.36 -1.47 114.58 120.27 1ubm h GLU 214 Ca 0.14 -0.10 -0.05 0.00 -0.13 0.00 0.00 59.36 59.21 1ubm h GLU 214 Cb 0.15 -0.27 -0.01 0.00 0.63 0.00 0.00 28.75 29.24 1ubm h GLU 214 CO -0.01 0.88 -0.08 0.00 -0.73 0.00 0.00 179.01 179.06 1ubm h ALA 215 N 1.33 1.49 -0.45 2.92 0.00 0.56 0.62 119.26 125.72 1ubm h ALA 215 Ca 0.34 -0.19 0.02 0.00 0.00 0.00 0.00 54.91 55.08 1ubm h ALA 215 Cb -0.09 -0.10 -0.02 0.00 0.00 0.00 0.00 17.79 17.58 1ubm h ALA 215 CO -0.07 0.37 0.30 -0.07 0.00 0.00 0.00 179.25 179.78 1ubm h LEU 216 N 0.30 0.46 0.05 0.00 3.38 -0.12 -1.28 115.31 118.11 1ubm h LEU 216 Ca 0.06 -0.01 -0.28 0.00 0.09 0.00 0.00 57.88 57.75 1ubm h LEU 216 Cb 0.34 -0.11 -0.03 0.00 0.09 0.00 0.00 40.66 40.95 1ubm h LEU 216 CO 0.02 0.33 -1.46 0.03 0.09 0.00 0.00 178.44 177.45 1ubm h ARG 217 N 0.54 0.11 -0.15 1.13 3.08 -1.36 -3.35 114.38 114.38 1ubm h ARG 217 Ca 0.17 -0.19 -0.09 0.00 0.07 0.00 0.00 59.98 59.95 1ubm h ARG 217 Cb 0.03 0.07 -0.01 0.00 0.08 0.00 0.00 29.97 30.14 1ubm h ARG 217 CO -0.04 0.90 -0.29 1.25 -1.07 0.00 0.00 179.97 180.72 1ubm h LEU 218 N 0.03 0.29 -1.86 3.04 5.85 -0.46 -2.33 115.31 119.88 1ubm h LEU 218 Ca -0.20 -0.10 -0.03 0.00 0.84 0.00 0.00 57.88 58.39 1ubm h LEU 218 Cb 1.95 -0.08 -0.00 0.00 0.37 0.00 0.00 40.66 42.90 1ubm h LEU 218 CO 0.13 0.59 -0.14 0.06 -0.34 0.00 0.00 178.44 178.74 1ubm h GLN 219 N 0.26 0.00 -0.90 1.25 -0.00 -1.38 -0.92 115.11 113.41 1ubm h GLN 219 Ca 0.04 0.00 0.06 0.00 -0.00 0.00 0.00 58.65 58.74 1ubm h GLN 219 Cb 0.66 0.00 -0.06 0.00 -0.00 0.00 0.00 27.48 28.08 1ubm h GLN 219 CO 0.05 0.14 0.57 0.28 -0.00 0.00 0.00 178.83 179.87 1ubm h VAL 220 N 0.00 1.08 -0.26 1.86 2.07 -1.56 -0.49 116.25 118.95 1ubm h VAL 220 Ca -0.00 -0.36 -0.19 0.00 0.82 0.00 0.00 66.70 66.96 1ubm h VAL 220 Cb 0.32 -0.07 0.00 0.00 -1.52 0.00 0.00 31.29 30.02 1ubm h VAL 220 CO 0.02 0.19 -0.59 0.11 0.02 0.00 0.00 177.57 177.32 1ubm h LYS 221 N 1.06 0.84 -0.67 1.57 1.57 -1.27 -0.05 116.57 119.62 1ubm h LYS 221 Ca 0.39 -0.56 -0.05 0.00 -1.87 0.00 0.00 60.65 58.55 1ubm h LYS 221 Cb 0.14 0.08 -0.03 0.00 0.08 0.00 0.00 32.23 32.49 1ubm h LYS 221 CO -0.16 1.19 0.20 0.00 -0.57 0.00 0.00 179.45 180.11 1ubm h ALA 222 N 0.68 1.10 -0.11 3.86 0.00 -1.17 -1.74 119.26 121.89 1ubm h ALA 222 Ca 0.00 -0.21 -0.18 0.00 0.00 0.00 0.00 54.91 54.52 1ubm h ALA 222 Cb 1.20 -0.26 -0.00 0.00 0.00 0.00 0.00 17.79 18.72 1ubm h ALA 222 CO 0.13 0.61 -0.67 0.00 0.00 0.00 0.00 179.25 179.32 1ubm h ALA 223 N 1.23 0.63 -0.46 0.00 0.00 -1.02 -3.01 119.26 116.63 1ubm h ALA 223 Ca 0.22 -0.58 0.01 0.00 0.00 0.00 0.00 54.91 54.56 1ubm h ALA 223 Cb 0.29 -0.07 -0.02 0.00 0.00 0.00 0.00 17.79 17.99 1ubm h ALA 223 CO -0.01 0.73 0.31 -0.09 0.00 0.00 0.00 179.25 180.19 1ubm h ARG 224 N 0.32 0.58 -0.74 0.00 2.43 -0.50 -1.58 114.38 114.88 1ubm h ARG 224 Ca -0.02 -0.03 0.06 0.00 -0.81 0.00 0.00 59.98 59.17 1ubm h ARG 224 Cb 1.24 -0.13 -0.05 0.00 -0.42 0.00 0.00 29.97 30.61 1ubm h ARG 224 CO 0.12 0.38 0.49 0.00 -1.51 0.00 0.00 179.97 179.45 1ubm h ALA 225 N 1.72 1.65 -0.29 2.80 0.00 -1.19 0.79 119.26 124.74 1ubm h ALA 225 Ca 0.17 -0.02 -0.07 0.00 0.00 0.00 0.00 54.91 54.99 1ubm h ALA 225 Cb -0.02 -0.22 -0.02 0.00 0.00 0.00 0.00 17.79 17.54 1ubm h ALA 225 CO -0.04 0.24 -0.10 0.52 0.00 0.00 0.00 179.25 179.87 1ubm h MET 226 N 0.82 0.49 0.00 0.00 2.86 -1.38 -3.01 114.93 114.70 1ubm h MET 226 Ca 0.32 -0.13 -0.03 0.00 -2.06 0.00 0.00 59.70 57.80 1ubm h MET 226 Cb 0.20 -0.06 -0.00 0.00 0.06 0.00 0.00 31.60 31.80 1ubm h MET 226 CO -0.10 0.59 -0.14 0.00 1.06 0.00 0.00 176.91 178.32 1ubm h ALA 227 N 1.45 0.96 -0.15 6.32 0.00 -0.79 0.26 119.26 127.30 1ubm h ALA 227 Ca 0.09 -0.12 0.04 0.00 0.00 0.00 0.00 54.91 54.91 1ubm h ALA 227 Cb 0.45 -0.02 -0.04 0.00 0.00 0.00 0.00 17.79 18.18 1ubm h ALA 227 CO 0.02 0.17 -0.09 0.28 0.00 0.00 0.00 179.25 179.64 1ubm h VAL 228 N 0.00 0.72 0.04 0.00 2.07 -1.22 -1.67 116.25 116.19 1ubm h VAL 228 Ca -0.00 0.00 -0.34 0.00 0.82 0.00 0.00 66.70 67.18 1ubm h VAL 228 Cb 0.86 0.72 -0.05 0.00 -1.52 0.00 0.00 31.29 31.30 1ubm h VAL 228 CO 0.02 0.00 -1.99 0.49 0.02 0.00 0.00 177.57 176.11 1ubm n PHE 229 N -5.24 0.80 -0.57 1.57 3.72 -1.22 -4.65 117.46 111.87 1ubm n PHE 229 Ca -0.03 0.24 0.09 0.00 -0.05 0.00 0.00 57.45 57.70 1ubm n PHE 229 Cb 0.16 -1.13 0.32 0.00 -0.94 0.00 0.00 39.48 37.89 1ubm n PHE 229 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 1ubm n GLY 230 N 1.79 2.86 3.02 1.37 0.00 0.90 -4.80 105.19 110.34 1ubm n GLY 230 Ca -0.27 -0.80 0.00 0.00 0.00 0.00 0.00 46.02 44.95 1ubm n GLY 230 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1ubm n ALA 231 N 0.94 0.00 -3.57 4.61 0.00 -0.64 -0.87 120.51 120.99 1ubm n ALA 231 Ca 0.23 0.00 -0.07 0.00 0.00 0.00 0.00 53.44 53.60 1ubm n ALA 231 Cb 0.80 0.00 -0.03 0.00 0.00 0.00 0.00 19.45 20.22 1ubm n ALA 231 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 177.50 175.91 1ubm s LYS 232 N 0.00 0.51 -0.03 0.00 -2.85 -1.26 -4.88 119.74 111.23 1ubm s LYS 232 Ca 0.00 -0.07 0.00 0.00 -1.00 0.00 0.00 55.97 54.90 1ubm s LYS 232 Cb 0.00 0.24 0.03 0.00 -2.06 0.00 0.00 37.83 36.03 1ubm s LYS 232 CO 0.00 -0.20 0.00 1.21 0.10 0.00 0.00 175.35 176.47 1ubm s ASN 233 N -1.80 0.39 0.70 0.03 3.04 -1.26 -3.04 114.94 113.00 1ubm s ASN 233 Ca 0.05 -0.02 -0.11 0.00 0.04 0.00 0.00 52.86 52.82 1ubm s ASN 233 Cb -0.01 -0.20 0.01 0.00 -1.54 0.00 0.00 41.25 39.51 1ubm s ASN 233 CO -0.04 -0.10 1.06 -2.84 -3.04 0.00 0.00 177.10 172.14 1ubm s PRO 234 N 1.03 2.86 -0.24 0.43 0.02 -1.26 -5.00 135.00 132.84 1ubm s PRO 234 Ca -0.10 0.91 -0.07 0.00 0.02 0.00 0.00 61.00 61.77 1ubm s PRO 234 Cb -0.13 -1.98 0.01 0.00 0.02 0.00 0.00 34.50 32.41 1ubm s PRO 234 CO -0.02 -1.14 0.25 0.72 -0.33 0.00 0.00 177.00 176.48 1ubm n HIS 235 N -3.15 -2.22 -1.07 6.54 8.25 -1.26 -5.02 115.22 117.29 1ubm n HIS 235 Ca 0.07 0.92 -0.34 0.00 -0.26 0.00 0.00 57.72 58.12 1ubm n HIS 235 Cb 0.54 -3.06 0.11 0.00 1.12 0.00 0.00 29.99 28.70 1ubm n HIS 235 CO 0.00 0.00 0.00 0.25 0.64 0.00 0.00 176.34 177.23 1ubm n THR 236 N -0.13 1.52 -3.01 1.59 -2.24 -1.17 -4.69 114.28 106.15 1ubm n THR 236 Ca 0.05 -0.24 -0.17 0.00 -2.27 0.00 0.00 64.05 61.41 1ubm n THR 236 Cb 0.19 -0.97 -0.02 0.00 -2.10 0.00 0.00 70.33 67.43 1ubm n THR 236 CO 0.00 0.00 0.00 1.67 -0.57 0.00 0.00 175.07 176.17 1ubm n GLN 237 N -2.40 0.73 0.00 -0.78 7.27 -0.05 -4.90 117.38 117.25 1ubm n GLN 237 Ca 0.11 -2.61 0.00 0.00 0.07 0.00 0.00 57.00 54.58 1ubm n GLN 237 Cb 0.51 -1.32 0.00 0.00 2.41 0.00 0.00 30.24 31.84 1ubm n GLN 237 CO 0.00 0.00 0.00 1.97 0.07 0.00 0.00 177.06 179.10 1ubm n PHE 238 N 1.54 0.00 -3.51 3.69 1.16 -1.26 -4.66 117.46 114.42 1ubm n PHE 238 Ca 0.16 0.00 -0.36 0.00 -1.87 0.00 0.00 57.45 55.38 1ubm n PHE 238 Cb 0.57 0.00 -0.06 0.00 -1.61 0.00 0.00 39.48 38.39 1ubm n PHE 238 CO 0.00 0.00 0.00 0.95 -1.87 0.00 0.00 176.76 175.84 1ubm s THR 239 N 0.00 5.03 0.07 1.97 -4.23 -1.26 -0.89 115.64 116.33 1ubm s THR 239 Ca 0.00 0.65 -0.02 0.00 -1.18 0.00 0.00 61.69 61.14 1ubm s THR 239 Cb 0.00 -3.68 -0.04 0.00 1.34 0.00 0.00 72.50 70.12 1ubm s THR 239 CO 0.00 0.38 0.01 0.68 -0.54 0.00 0.00 174.62 175.15 1ubm s VAL 240 N -1.30 0.18 0.20 2.29 -7.23 -0.92 -4.90 120.40 108.71 1ubm s VAL 240 Ca 0.31 -1.78 -0.32 0.00 -1.81 0.00 0.00 61.98 58.38 1ubm s VAL 240 Cb -0.15 -1.63 -0.13 0.00 0.56 0.00 0.00 36.38 35.03 1ubm s VAL 240 CO 0.17 -0.84 1.67 0.52 -0.31 0.00 0.00 175.10 176.31 1ubm n VAL 241 N 0.04 0.07 -0.00 1.32 0.31 -1.26 -1.60 118.33 117.20 1ubm n VAL 241 Ca -0.12 -0.02 0.00 0.00 -0.01 0.00 0.00 64.34 64.19 1ubm n VAL 241 Cb 0.62 -1.85 0.00 0.00 -0.91 0.00 0.00 33.84 31.69 1ubm n VAL 241 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 1ubm n GLY 242 N 3.70 0.63 0.00 2.92 0.00 -1.26 -4.84 105.19 106.33 1ubm n GLY 242 Ca 0.16 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.18 1ubm n GLY 242 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1ubm n GLY 243 N -2.00 -0.47 3.28 -0.02 0.00 -0.63 -0.86 105.19 104.49 1ubm n GLY 243 Ca 0.00 -0.28 -0.15 0.00 0.00 0.00 0.00 46.02 45.60 1ubm n GLY 243 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1ubm s VAL 244 N -1.33 0.61 -0.34 1.61 -7.23 -0.53 -2.17 120.40 111.02 1ubm s VAL 244 Ca 0.00 -1.99 0.13 0.00 -1.81 0.00 0.00 61.98 58.31 1ubm s VAL 244 Cb 0.00 -2.37 -0.17 0.00 0.56 0.00 0.00 36.38 34.41 1ubm s VAL 244 CO 0.00 -0.25 0.43 0.35 -0.31 0.00 0.00 175.10 175.32 1ubm n THR 245 N -0.35 0.00 -2.38 5.32 -2.24 -0.07 -4.25 114.28 110.32 1ubm n THR 245 Ca -0.03 -0.24 -0.43 0.00 -2.27 0.00 0.00 64.05 61.07 1ubm n THR 245 Cb 0.65 0.65 0.00 0.00 -2.10 0.00 0.00 70.33 69.53 1ubm n THR 245 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1ubm h TYR 247 N 6.74 0.00 0.00 0.00 -1.99 -1.97 -0.69 116.97 119.06 1ubm h TYR 247 Ca 0.45 0.00 0.00 0.00 2.00 0.00 0.00 58.73 61.18 1ubm h TYR 247 Cb 0.77 0.00 0.00 0.00 2.00 0.00 0.00 36.73 39.50 1ubm h TYR 247 CO 1.34 0.00 0.00 0.22 -0.00 0.00 0.00 178.16 179.72 1ubm h ASP 248 N 0.00 0.00 0.61 3.88 -0.00 -1.98 -2.32 116.42 116.61 1ubm h ASP 248 Ca 0.32 0.00 0.00 0.00 -0.00 0.00 0.00 57.03 57.35 1ubm h ASP 248 Cb 1.31 0.00 0.00 0.00 -0.00 0.00 0.00 39.33 40.64 1ubm h ASP 248 CO -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 179.24 179.24 1ubm n ALA 249 N -2.06 1.62 0.44 -0.78 0.00 -0.27 -1.61 120.51 117.85 1ubm n ALA 249 Ca -0.01 0.04 0.12 0.00 0.00 0.00 0.00 53.44 53.59 1ubm n ALA 249 Cb 0.19 -1.32 0.22 0.00 0.00 0.00 0.00 19.45 18.54 1ubm n ALA 249 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 177.50 177.43 1ubm h LEU 250 N 0.00 0.00 -9.94 0.00 4.07 -1.58 -3.42 115.31 104.44 1ubm h LEU 250 Ca 0.00 -0.06 -0.47 0.00 0.08 0.00 0.00 57.88 57.42 1ubm h LEU 250 Cb 0.30 0.00 0.00 0.00 1.08 0.00 0.00 40.66 42.05 1ubm h LEU 250 CO 0.00 0.03 0.39 0.42 -1.08 0.00 0.00 178.44 178.20 1ubm s THR 251 N -3.18 3.93 0.40 0.22 -4.23 -0.64 -4.95 115.64 107.19 1ubm s THR 251 Ca 0.07 1.50 0.09 0.00 -1.18 0.00 0.00 61.69 62.18 1ubm s THR 251 Cb 0.10 -3.79 0.30 0.00 1.34 0.00 0.00 72.50 70.46 1ubm s THR 251 CO 0.68 0.03 1.98 -0.65 -0.54 0.00 0.00 174.62 176.13 1ubm h PRO 252 N 2.71 0.56 -0.22 3.99 0.11 -1.91 -2.15 132.00 135.09 1ubm h PRO 252 Ca -0.48 -0.03 -0.02 0.00 0.11 0.00 0.00 66.00 65.58 1ubm h PRO 252 Cb 1.20 -0.13 -0.01 0.00 0.11 0.00 0.00 31.00 32.18 1ubm h PRO 252 CO 0.63 0.37 0.07 1.96 -0.21 0.00 0.00 178.00 180.82 1ubm h GLN 253 N 0.57 0.34 -0.54 1.05 7.50 -1.92 0.86 115.11 122.97 1ubm h GLN 253 Ca 0.27 -0.07 -0.09 0.00 0.50 0.00 0.00 58.65 59.26 1ubm h GLN 253 Cb 0.33 -0.05 -0.02 0.00 0.05 0.00 0.00 27.48 27.79 1ubm h GLN 253 CO -0.08 0.42 -0.04 0.00 -1.50 0.00 0.00 178.83 177.63 1ubm h ARG 254 N 0.19 0.95 -0.56 1.46 2.47 -1.75 0.11 114.38 117.25 1ubm h ARG 254 Ca 0.07 -0.30 -0.08 0.00 -1.26 0.00 0.00 59.98 58.41 1ubm h ARG 254 Cb 0.22 -0.09 -0.02 0.00 -1.65 0.00 0.00 29.97 28.43 1ubm h ARG 254 CO -0.00 0.96 0.03 0.82 0.56 0.00 0.00 179.97 182.34 1ubm h ILE 255 N 0.87 1.26 -0.56 2.04 2.04 -1.18 -0.33 117.51 121.64 1ubm h ILE 255 Ca 0.15 -1.06 -0.09 0.00 1.00 0.00 0.00 64.86 64.86 1ubm h ILE 255 Cb 0.56 0.79 -0.02 0.00 -0.74 0.00 0.00 36.82 37.42 1ubm h ILE 255 CO 0.03 0.38 -0.02 0.00 0.00 0.00 0.00 178.15 178.54 1ubm h ALA 256 N 1.14 0.90 -0.42 1.87 0.00 -0.46 0.87 119.26 123.15 1ubm h ALA 256 Ca 0.17 -0.31 -0.05 0.00 0.00 0.00 0.00 54.91 54.72 1ubm h ALA 256 Cb 0.48 -0.21 -0.02 0.00 0.00 0.00 0.00 17.79 18.05 1ubm h ALA 256 CO 0.02 0.65 0.07 1.49 0.00 0.00 0.00 179.25 181.48 1ubm h GLU 257 N 0.90 0.69 0.03 0.00 4.81 -0.32 -1.40 114.58 119.29 1ubm h GLU 257 Ca 0.16 -0.18 0.01 0.00 -0.13 0.00 0.00 59.36 59.21 1ubm h GLU 257 Cb 0.56 -0.08 -0.01 0.00 0.63 0.00 0.00 28.75 29.84 1ubm h GLU 257 CO 0.03 0.73 -0.05 0.35 -0.73 0.00 0.00 179.01 179.34 1ubm h PHE 258 N 0.55 -0.13 -0.69 0.92 3.04 -0.80 -2.62 116.94 117.21 1ubm h PHE 258 Ca 0.13 0.00 0.06 0.00 3.98 0.00 0.00 57.97 62.14 1ubm h PHE 258 Cb 0.37 0.05 -0.06 0.00 2.56 0.00 0.00 35.95 38.88 1ubm h PHE 258 CO 0.02 -0.08 0.39 1.49 -2.02 0.00 0.00 178.31 178.12 1ubm h GLU 259 N -0.11 0.70 -0.37 1.11 4.81 -0.65 0.18 114.58 120.26 1ubm h GLU 259 Ca 0.01 -0.04 -0.08 0.00 -0.13 0.00 0.00 59.36 59.12 1ubm h GLU 259 Cb 0.12 -0.16 -0.02 0.00 0.63 0.00 0.00 28.75 29.32 1ubm h GLU 259 CO -0.03 0.46 -0.10 0.00 -0.73 0.00 0.00 179.01 178.62 1ubm h ALA 260 N 1.36 1.15 -0.29 2.92 0.00 -1.14 0.15 119.26 123.41 1ubm h ALA 260 Ca 0.31 -0.28 -0.17 0.00 0.00 0.00 0.00 54.91 54.77 1ubm h ALA 260 Cb 0.19 -0.16 -0.00 0.00 0.00 0.00 0.00 17.79 17.82 1ubm h ALA 260 CO -0.18 0.54 -0.49 -0.07 0.00 0.00 0.00 179.25 179.05 1ubm h LEU 261 N 0.58 0.88 -0.32 0.00 3.38 -0.98 -2.55 115.31 116.30 1ubm h LEU 261 Ca 0.11 -0.44 -0.02 0.00 0.09 0.00 0.00 57.88 57.62 1ubm h LEU 261 Cb 0.51 -0.25 -0.01 0.00 0.09 0.00 0.00 40.66 41.00 1ubm h LEU 261 CO 0.03 1.21 0.12 -0.25 0.09 0.00 0.00 178.44 179.65 1ubm h TRP 262 N 0.63 0.49 -0.85 1.13 7.01 -0.37 -0.97 115.95 123.02 1ubm h TRP 262 Ca 0.03 -0.04 -0.02 0.00 2.11 0.00 0.00 58.89 60.98 1ubm h TRP 262 Cb 1.07 -0.14 -0.04 0.00 -2.10 0.00 0.00 29.16 27.94 1ubm h TRP 262 CO 0.06 0.47 0.47 0.87 -2.79 0.00 0.00 178.44 177.52 1ubm h LYS 263 N 0.36 1.18 -0.44 2.65 1.57 -0.65 0.16 116.57 121.40 1ubm h LYS 263 Ca 0.11 -0.13 -0.14 0.00 -1.87 0.00 0.00 60.65 58.61 1ubm h LYS 263 Cb 0.19 -0.23 -0.01 0.00 0.08 0.00 0.00 32.23 32.26 1ubm h LYS 263 CO -0.01 0.86 -0.28 1.49 -0.57 0.00 0.00 179.45 180.94 1ubm h GLU 264 N 1.18 0.95 -0.37 3.15 4.81 -1.29 -1.78 114.58 121.24 1ubm h GLU 264 Ca 0.30 -0.44 -0.01 0.00 -0.13 0.00 0.00 59.36 59.09 1ubm h GLU 264 Cb 0.02 -0.01 -0.02 0.00 0.63 0.00 0.00 28.75 29.37 1ubm h GLU 264 CO -0.05 1.10 0.21 1.15 -0.73 0.00 0.00 179.01 180.69 1ubm h THR 265 N 0.80 1.13 -0.59 0.32 2.02 -0.82 -2.24 112.91 113.54 1ubm h THR 265 Ca 0.09 -0.34 -0.05 0.00 0.77 0.00 0.00 66.41 66.89 1ubm h THR 265 Cb 0.86 0.70 -0.03 0.00 -1.74 0.00 0.00 68.15 67.94 1ubm h THR 265 CO 0.08 0.14 0.18 0.50 0.37 0.00 0.00 175.52 176.78 1ubm h LYS 266 N 0.47 0.88 -0.78 6.66 3.64 -0.59 -0.72 116.57 126.14 1ubm h LYS 266 Ca 0.13 -0.17 0.03 0.00 -1.27 0.00 0.00 60.65 59.38 1ubm h LYS 266 Cb 0.04 -0.14 -0.05 0.00 -0.41 0.00 0.00 32.23 31.67 1ubm h LYS 266 CO -0.02 0.77 0.49 0.00 -2.27 0.00 0.00 179.45 178.42 1ubm h ALA 267 N 1.34 1.03 -0.42 5.00 0.00 -1.09 0.23 119.26 125.35 1ubm h ALA 267 Ca 0.19 -0.03 -0.06 0.00 0.00 0.00 0.00 54.91 55.02 1ubm h ALA 267 Cb 0.25 -0.25 -0.02 0.00 0.00 0.00 0.00 17.79 17.78 1ubm h ALA 267 CO -0.01 0.29 0.03 0.35 0.00 0.00 0.00 179.25 179.91 1ubm h PHE 268 N 0.95 0.77 0.15 0.00 3.04 -0.78 0.14 116.94 121.22 1ubm h PHE 268 Ca 0.31 -0.12 0.01 0.00 3.98 0.00 0.00 57.97 62.15 1ubm h PHE 268 Cb 0.03 -0.21 -0.03 0.00 2.56 0.00 0.00 35.95 38.31 1ubm h PHE 268 CO -0.03 0.77 -0.24 0.28 -2.02 0.00 0.00 178.31 177.06 1ubm h VAL 269 N 0.56 0.48 -0.15 1.41 2.07 -0.56 0.17 116.25 120.22 1ubm h VAL 269 Ca 0.12 0.00 -0.14 0.00 0.82 0.00 0.00 66.70 67.50 1ubm h VAL 269 Cb 0.44 0.48 -0.01 0.00 -1.52 0.00 0.00 31.29 30.67 1ubm h VAL 269 CO 0.02 0.00 -0.50 0.44 0.02 0.00 0.00 177.57 177.55 1ubm h ASP 270 N -0.46 0.43 0.00 0.57 3.45 -0.37 -1.40 116.42 118.63 1ubm h ASP 270 Ca 0.02 -0.21 0.00 0.00 0.43 0.00 0.00 57.03 57.27 1ubm h ASP 270 Cb 0.47 -0.12 0.00 0.00 -0.56 0.00 0.00 39.33 39.11 1ubm h ASP 270 CO -0.11 0.86 -1.39 -0.62 -1.57 0.00 0.00 179.24 176.40 1ubm n GLU 271 N -3.97 0.93 0.04 3.56 1.02 0.48 -4.51 120.64 118.19 1ubm n GLU 271 Ca -0.02 -0.10 -0.01 0.00 -0.02 0.00 0.00 57.16 57.01 1ubm n GLU 271 Cb 0.56 -1.35 -0.00 0.00 -0.02 0.00 0.00 31.44 30.63 1ubm n GLU 271 CO 0.00 0.00 0.00 0.28 1.18 0.00 0.00 177.13 178.59 1ubm n VAL 272 N -1.82 1.24 0.48 2.62 0.31 0.43 -4.71 118.33 116.88 1ubm n VAL 272 Ca -0.01 0.38 -0.20 0.00 -0.01 0.00 0.00 64.34 64.50 1ubm n VAL 272 Cb 0.37 -1.65 -0.10 0.00 -0.91 0.00 0.00 33.84 31.55 1ubm n VAL 272 CO 0.00 0.00 0.00 0.22 -1.32 0.00 0.00 176.83 175.73 1ubm h TYR 273 N -0.10 -1.14 -0.45 3.52 3.20 -1.08 -2.10 116.97 118.82 1ubm h TYR 273 Ca 0.00 -0.03 -0.03 0.00 3.14 0.00 0.00 58.73 61.81 1ubm h TYR 273 Cb 0.10 0.38 -0.02 0.00 1.54 0.00 0.00 36.73 38.73 1ubm h TYR 273 CO -0.04 -0.71 0.16 0.82 -1.64 0.00 0.00 178.16 176.75 1ubm h ILE 274 N -1.22 1.21 -0.91 1.81 1.08 -1.50 -0.41 117.51 117.56 1ubm h ILE 274 Ca -0.12 -0.68 0.09 0.00 -0.39 0.00 0.00 64.86 63.76 1ubm h ILE 274 Cb 0.94 0.81 -0.06 0.00 -3.07 0.00 0.00 36.82 35.44 1ubm h ILE 274 CO 0.20 0.25 0.59 -0.65 -0.69 0.00 0.00 178.15 177.85 1ubm h PRO 275 N 0.58 0.93 -0.38 2.37 0.11 -1.79 -0.99 132.00 132.84 1ubm h PRO 275 Ca 0.15 -0.06 -0.05 0.00 0.11 0.00 0.00 66.00 66.15 1ubm h PRO 275 Cb 0.22 -0.21 -0.01 0.00 0.11 0.00 0.00 31.00 31.11 1ubm h PRO 275 CO -0.01 0.62 0.04 -0.44 -0.21 0.00 0.00 178.00 178.00 1ubm h ASP 276 N 0.96 0.63 -0.80 -2.05 3.32 -0.88 -1.21 116.42 116.39 1ubm h ASP 276 Ca 0.41 -0.28 0.07 0.00 0.02 0.00 0.00 57.03 57.25 1ubm h ASP 276 Cb 0.33 -0.17 -0.06 0.00 0.22 0.00 0.00 39.33 39.65 1ubm h ASP 276 CO -0.17 0.75 0.48 0.25 -1.72 0.00 0.00 179.24 178.83 1ubm h LEU 277 N 0.48 0.74 -0.42 1.55 5.85 -0.76 -0.70 115.31 122.06 1ubm h LEU 277 Ca 0.11 0.02 -0.10 0.00 0.84 0.00 0.00 57.88 58.76 1ubm h LEU 277 Cb 0.41 -0.13 -0.01 0.00 0.37 0.00 0.00 40.66 41.30 1ubm h LEU 277 CO 0.01 0.47 -0.12 -0.07 -0.34 0.00 0.00 178.44 178.39 1ubm h LEU 278 N 0.87 0.82 -0.46 2.25 4.07 -0.84 0.92 115.31 122.95 1ubm h LEU 278 Ca 0.36 -0.37 -0.01 0.00 0.08 0.00 0.00 57.88 57.94 1ubm h LEU 278 Cb 0.20 -0.23 -0.02 0.00 1.08 0.00 0.00 40.66 41.70 1ubm h LEU 278 CO -0.19 1.01 0.26 0.58 -1.08 0.00 0.00 178.44 179.02 1ubm h VAL 279 N 0.63 1.16 -0.33 1.22 2.07 -0.88 -0.83 116.25 119.29 1ubm h VAL 279 Ca 0.10 -0.39 -0.17 0.00 0.82 0.00 0.00 66.70 67.06 1ubm h VAL 279 Cb 0.65 0.59 -0.00 0.00 -1.52 0.00 0.00 31.29 31.01 1ubm h VAL 279 CO 0.04 0.17 -0.47 0.58 0.02 0.00 0.00 177.57 177.91 1ubm h VAL 280 N 0.61 1.27 -0.60 2.57 2.07 -1.01 -2.20 116.25 118.96 1ubm h VAL 280 Ca 0.16 -1.65 0.02 0.00 0.82 0.00 0.00 66.70 66.05 1ubm h VAL 280 Cb 0.04 1.52 -0.04 0.00 -1.52 0.00 0.00 31.29 31.29 1ubm h VAL 280 CO -0.03 0.54 0.38 0.00 0.02 0.00 0.00 177.57 178.49 1ubm h ALA 281 N 0.76 0.77 -0.74 1.67 0.00 -0.61 -1.81 119.26 119.29 1ubm h ALA 281 Ca 0.04 -0.03 0.02 0.00 0.00 0.00 0.00 54.91 54.94 1ubm h ALA 281 Cb 1.07 -0.21 -0.04 0.00 0.00 0.00 0.00 17.79 18.61 1ubm h ALA 281 CO 0.11 0.14 0.49 0.00 0.00 0.00 0.00 179.25 179.98 1ubm h ALA 282 N 1.25 1.53 0.00 0.00 0.00 -1.00 -1.34 119.26 119.70 1ubm h ALA 282 Ca 0.23 -0.04 -0.00 0.00 0.00 0.00 0.00 54.91 55.10 1ubm h ALA 282 Cb -0.02 -0.27 -0.00 0.00 0.00 0.00 0.00 17.79 17.50 1ubm h ALA 282 CO -0.08 0.41 -0.02 0.00 0.00 0.00 0.00 179.25 179.56 1ubm h ALA 283 N 1.56 1.00 -0.27 0.00 0.00 -0.71 -3.24 119.26 117.60 1ubm h ALA 283 Ca 0.29 -0.02 -0.20 0.00 0.00 0.00 0.00 54.91 54.98 1ubm h ALA 283 Cb -0.01 -0.00 -0.15 0.00 0.00 0.00 0.00 17.79 17.62 1ubm h ALA 283 CO -0.07 0.02 -0.60 0.66 0.00 0.00 0.00 179.25 179.26 1ubm n TYR 284 N -3.11 0.98 0.16 0.00 4.02 -0.72 -4.83 117.16 113.66 1ubm n TYR 284 Ca 0.02 -1.76 0.09 0.00 -0.01 0.00 0.00 57.90 56.24 1ubm n TYR 284 Cb 0.40 -0.29 0.48 0.00 -0.02 0.00 0.00 39.34 39.91 1ubm n TYR 284 CO 0.00 0.00 0.00 1.63 -1.01 0.00 0.00 176.86 177.48 1ubm n LYS 285 N -0.98 0.12 0.18 -0.72 5.02 -0.59 -0.11 118.16 121.09 1ubm n LYS 285 Ca 0.28 0.61 0.14 0.00 -2.02 0.00 0.00 58.31 57.31 1ubm n LYS 285 Cb 0.79 -2.00 0.57 0.00 -0.02 0.00 0.00 35.03 34.37 1ubm n LYS 285 CO 0.00 0.00 0.00 0.38 -0.52 0.00 0.00 177.40 177.26 1ubm h ASP 286 N 0.00 0.00 0.00 4.39 -0.00 -1.88 -2.55 116.42 116.38 1ubm h ASP 286 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 57.03 57.03 1ubm h ASP 286 Cb 0.23 0.00 0.00 0.00 -0.00 0.00 0.00 39.33 39.56 1ubm h ASP 286 CO 0.00 0.00 0.00 0.79 -0.00 0.00 0.00 179.24 180.03 1ubm n TRP 287 N -2.54 0.00 0.88 4.15 7.02 0.84 -1.25 117.44 126.54 1ubm n TRP 287 Ca 0.02 0.00 0.11 0.00 -1.02 0.00 0.00 57.50 56.61 1ubm n TRP 287 Cb 0.25 0.00 0.52 0.00 -2.42 0.00 0.00 31.31 29.67 1ubm n TRP 287 CO 0.00 0.00 0.00 0.25 -2.02 0.00 0.00 177.69 175.92 1ubm n THR 288 N -0.94 0.36 1.00 -0.99 -2.24 -0.96 -2.58 114.28 107.93 1ubm n THR 288 Ca 0.16 0.09 0.11 0.00 -2.27 0.00 0.00 64.05 62.14 1ubm n THR 288 Cb 0.07 -0.69 0.09 0.00 -2.10 0.00 0.00 70.33 67.70 1ubm n THR 288 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1ubm n GLN 289 N -1.45 0.01 -4.24 -0.78 1.13 -0.38 -4.69 117.38 106.98 1ubm n GLN 289 Ca 0.07 -0.01 -0.19 0.00 -1.94 0.00 0.00 57.00 54.93 1ubm n GLN 289 Cb 0.25 -1.50 -0.12 0.00 0.11 0.00 0.00 30.24 28.99 1ubm n GLN 289 CO 0.00 0.00 0.00 0.71 -1.44 0.00 0.00 177.06 176.33 1ubm s TYR 290 N -2.99 1.46 -0.62 1.08 2.02 -1.24 -4.89 117.35 112.16 1ubm s TYR 290 Ca 0.10 -0.50 -0.01 0.00 -0.37 0.00 0.00 57.07 56.29 1ubm s TYR 290 Cb 0.17 -0.78 0.00 0.00 -0.40 0.00 0.00 41.96 40.95 1ubm s TYR 290 CO 0.77 0.15 0.09 0.41 -1.57 0.00 0.00 175.55 175.40 1ubm n GLY 291 N 0.80 0.13 3.90 0.71 0.00 -1.20 -0.24 105.19 109.29 1ubm n GLY 291 Ca -0.17 -0.52 -0.29 0.00 0.00 0.00 0.00 46.02 45.04 1ubm n GLY 291 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1ubm s GLY 292 N -2.75 1.61 0.15 -0.02 0.00 -1.25 -3.85 107.32 101.21 1ubm s GLY 292 Ca 0.04 -0.57 -0.04 0.00 0.00 0.00 0.00 44.72 44.15 1ubm s GLY 292 CO 0.06 -0.13 0.16 -0.51 0.00 0.00 0.00 173.10 172.67 1ubm s THR 293 N -3.47 0.08 -0.26 0.90 -4.23 -1.26 -4.20 115.64 103.19 1ubm s THR 293 Ca 0.60 -1.70 0.01 0.00 -1.18 0.00 0.00 61.69 59.42 1ubm s THR 293 Cb -0.11 -2.01 -0.17 0.00 1.34 0.00 0.00 72.50 71.55 1ubm s THR 293 CO 0.49 -0.35 -0.24 0.47 -0.54 0.00 0.00 174.62 174.46 1ubm n ASP 294 N -0.16 1.98 -4.25 3.99 8.00 -1.26 -4.89 116.55 119.96 1ubm n ASP 294 Ca -0.05 -0.10 -0.23 0.00 0.71 0.00 0.00 54.79 55.11 1ubm n ASP 294 Cb 0.64 -0.44 -0.13 0.00 -0.02 0.00 0.00 41.12 41.17 1ubm n ASP 294 CO 0.00 0.00 0.00 0.20 -0.39 0.00 0.00 177.20 177.01 1ubm s ASN 295 N -6.59 2.34 -0.01 -2.24 0.01 -1.26 -1.45 114.94 105.73 1ubm s ASN 295 Ca -0.35 -0.62 0.01 0.00 -0.71 0.00 0.00 52.86 51.19 1ubm s ASN 295 Cb 0.09 -0.14 0.01 0.00 0.41 0.00 0.00 41.25 41.62 1ubm s ASN 295 CO 0.59 0.06 -0.03 -0.36 -1.51 0.00 0.00 177.10 175.85 1ubm s PHE 296 N -1.06 0.41 0.01 2.20 0.40 -0.17 -0.54 117.98 119.24 1ubm s PHE 296 Ca 0.05 -0.07 0.01 0.00 -0.60 0.00 0.00 56.93 56.32 1ubm s PHE 296 Cb -0.10 -0.33 -0.01 0.00 0.51 0.00 0.00 43.02 43.10 1ubm s PHE 296 CO 0.03 -0.05 -0.05 -1.50 0.70 0.00 0.00 175.22 174.35 1ubm s ILE 297 N 0.23 0.36 -0.04 0.64 2.07 -0.13 -0.58 121.20 123.75 1ubm s ILE 297 Ca -0.02 -0.49 -0.21 0.00 -1.41 0.00 0.00 60.65 58.52 1ubm s ILE 297 Cb -0.05 -0.36 0.04 0.00 0.13 0.00 0.00 42.46 42.21 1ubm s ILE 297 CO -0.00 -0.10 0.46 0.28 -1.91 0.00 0.00 174.94 173.67 1ubm s THR 298 N -0.57 0.03 -0.63 4.00 -1.32 -0.89 -4.32 115.64 111.93 1ubm s THR 298 Ca -0.03 -0.27 0.17 0.00 -1.21 0.00 0.00 61.69 60.35 1ubm s THR 298 Cb -0.05 -0.77 -0.21 0.00 -1.51 0.00 0.00 72.50 69.97 1ubm s THR 298 CO -0.00 -0.15 0.65 0.49 -2.21 0.00 0.00 174.62 173.40 1ubm n PHE 299 N 1.22 0.00 0.00 9.09 0.99 -1.26 -1.33 117.46 126.17 1ubm n PHE 299 Ca -0.20 0.00 0.00 0.00 -0.00 0.00 0.00 57.45 57.25 1ubm n PHE 299 Cb 0.56 -0.09 0.00 0.00 -1.00 0.00 0.00 39.48 38.95 1ubm n PHE 299 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.76 177.17 1ubm n GLY 300 N 1.43 -2.19 3.44 1.37 0.00 -1.26 -3.93 105.19 104.05 1ubm n GLY 300 Ca 0.02 -1.49 -0.14 0.00 0.00 0.00 0.00 46.02 44.41 1ubm n GLY 300 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1ubm s GLU 301 N -2.84 1.19 -0.26 1.61 2.56 -0.47 -3.36 118.70 117.13 1ubm s GLU 301 Ca 0.00 -0.28 -0.00 0.00 0.00 0.00 0.00 54.97 54.69 1ubm s GLU 301 Cb 0.00 0.55 0.00 0.00 2.00 0.00 0.00 34.13 36.68 1ubm s GLU 301 CO 0.00 -0.48 0.25 1.19 -0.56 0.00 0.00 175.26 175.66 1ubm n PHE 302 N 0.02 -1.06 -2.29 5.30 3.01 -1.26 -1.73 117.46 119.46 1ubm n PHE 302 Ca -0.18 0.40 -0.35 0.00 1.01 0.00 0.00 57.45 58.34 1ubm n PHE 302 Cb 0.62 -2.42 -0.00 0.00 -0.01 0.00 0.00 39.48 37.67 1ubm n PHE 302 CO 0.00 0.00 0.00 -1.25 1.01 0.00 0.00 176.76 176.52 1ubm s PRO 303 N -2.98 3.46 -0.09 -1.08 0.04 -1.26 -2.10 135.00 130.98 1ubm s PRO 303 Ca 0.00 1.60 0.11 0.00 0.04 0.00 0.00 61.00 62.76 1ubm s PRO 303 Cb -0.00 -2.07 -0.24 0.00 0.04 0.00 0.00 34.50 32.24 1ubm s PRO 303 CO 0.26 -0.76 0.48 1.63 0.04 0.00 0.00 177.00 178.65 1ubm n LYS 304 N -1.16 0.66 -3.98 4.56 4.76 -1.09 -4.88 118.16 117.03 1ubm n LYS 304 Ca 0.11 0.22 -0.30 0.00 -2.87 0.00 0.00 58.31 55.47 1ubm n LYS 304 Cb 0.51 -1.72 -0.16 0.00 -1.84 0.00 0.00 35.03 31.82 1ubm n LYS 304 CO 0.00 0.00 0.00 0.34 -1.37 0.00 0.00 177.40 176.37 1ubm s ASP 305 N -6.08 3.12 0.37 4.39 3.68 -1.26 -5.02 116.67 115.87 1ubm s ASP 305 Ca -0.09 -0.75 0.26 0.00 2.13 0.00 0.00 52.55 54.10 1ubm s ASP 305 Cb 0.07 -1.15 1.32 0.00 -1.45 0.00 0.00 42.92 41.72 1ubm s ASP 305 CO 0.81 -0.13 1.80 -0.33 0.13 0.00 0.00 175.17 177.45 1ubm h GLU 306 N 8.02 0.00 -0.39 4.34 4.39 -1.96 -2.15 114.58 126.83 1ubm h GLU 306 Ca -0.29 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.41 1ubm h GLU 306 Cb 1.11 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.76 1ubm h GLU 306 CO 0.47 0.00 0.00 0.66 -1.16 0.00 0.00 179.01 178.98 1ubm n TYR 307 N -2.43 0.51 -3.66 4.33 4.02 -1.26 -4.85 117.16 113.82 1ubm n TYR 307 Ca -0.01 -0.35 -0.29 0.00 -0.01 0.00 0.00 57.90 57.25 1ubm n TYR 307 Cb 0.11 -0.01 -0.16 0.00 -0.02 0.00 0.00 39.34 39.26 1ubm n TYR 307 CO 0.00 0.00 0.00 0.34 -1.01 0.00 0.00 176.86 176.19 1ubm s ASP 308 N -1.14 3.42 0.52 7.72 3.68 -0.81 -4.97 116.67 125.08 1ubm s ASP 308 Ca 0.32 -1.21 0.19 0.00 2.13 0.00 0.00 52.55 53.98 1ubm s ASP 308 Cb 0.18 -0.57 1.30 0.00 -1.45 0.00 0.00 42.92 42.38 1ubm s ASP 308 CO 0.24 -0.39 2.08 -0.07 0.13 0.00 0.00 175.17 177.16 1ubm h LEU 309 N 8.27 0.03 0.00 -1.34 3.38 -1.89 0.11 115.31 123.87 1ubm h LEU 309 Ca -0.16 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.81 1ubm h LEU 309 Cb 1.05 -0.01 0.00 0.00 0.09 0.00 0.00 40.66 41.80 1ubm h LEU 309 CO 0.41 0.02 0.00 0.59 0.09 0.00 0.00 178.44 179.55 1ubm n ASN 310 N -4.47 0.00 -0.14 -0.43 5.03 -1.26 -1.73 115.26 112.26 1ubm n ASN 310 Ca 0.03 -0.41 0.15 0.00 0.87 0.00 0.00 54.58 55.22 1ubm n ASN 310 Cb 0.31 -0.18 0.82 0.00 -1.02 0.00 0.00 39.78 39.71 1ubm n ASN 310 CO 0.00 0.00 0.00 -1.54 -1.83 0.00 0.00 177.26 173.89 1ubm n SER 311 N -1.18 0.44 -4.85 6.41 3.41 0.37 -4.93 113.62 113.30 1ubm n SER 311 Ca 0.16 -1.12 -0.32 0.00 -0.26 0.00 0.00 58.87 57.33 1ubm n SER 311 Cb 0.18 -0.01 -0.05 0.00 -0.26 0.00 0.00 64.21 64.07 1ubm n SER 311 CO 0.00 0.00 0.00 -0.13 -0.16 0.00 0.00 175.04 174.75 1ubm s ARG 312 N -2.02 4.01 0.23 4.33 0.52 -0.71 -2.67 118.95 122.64 1ubm s ARG 312 Ca 0.44 0.80 -0.07 0.00 -0.52 0.00 0.00 55.73 56.38 1ubm s ARG 312 Cb 0.22 -2.31 0.28 0.00 0.52 0.00 0.00 34.95 33.66 1ubm s ARG 312 CO 0.36 -0.00 1.84 0.35 0.02 0.00 0.00 175.30 177.87 1ubm h PHE 313 N 1.74 0.87 -3.16 -0.53 3.57 -0.78 -3.35 116.94 115.30 1ubm h PHE 313 Ca -0.48 0.03 -0.63 0.00 3.53 0.00 0.00 57.97 60.42 1ubm h PHE 313 Cb 1.18 -0.28 -0.13 0.00 2.79 0.00 0.00 35.95 39.51 1ubm h PHE 313 CO 0.62 0.44 -0.54 -0.06 -2.23 0.00 0.00 178.31 176.54 1ubm s PHE 314 N -6.08 3.33 0.15 0.41 0.08 -1.00 -4.98 117.98 109.89 1ubm s PHE 314 Ca -0.13 0.22 0.01 0.00 0.12 0.00 0.00 56.93 57.15 1ubm s PHE 314 Cb 0.17 -2.02 -0.04 0.00 -0.57 0.00 0.00 43.02 40.56 1ubm s PHE 314 CO 0.78 0.34 0.30 0.15 -0.10 0.00 0.00 175.22 176.69 1ubm s LYS 315 N -0.09 3.47 0.91 0.44 1.02 -1.26 -1.37 119.74 122.87 1ubm s LYS 315 Ca 0.08 -0.48 -0.12 0.00 0.02 0.00 0.00 55.97 55.46 1ubm s LYS 315 Cb -0.12 -2.94 0.14 0.00 -0.52 0.00 0.00 37.83 34.39 1ubm s LYS 315 CO 0.01 0.50 1.10 -1.25 -0.92 0.00 0.00 175.35 174.79 1ubm s PRO 316 N -3.11 1.13 0.00 -1.68 0.04 -1.25 -4.06 135.00 126.06 1ubm s PRO 316 Ca 0.36 0.57 0.00 0.00 0.04 0.00 0.00 61.00 61.97 1ubm s PRO 316 Cb -0.11 -1.81 0.00 0.00 0.04 0.00 0.00 34.50 32.61 1ubm s PRO 316 CO 0.28 -2.27 0.00 0.41 0.04 0.00 0.00 177.00 175.47 1ubm n GLY 317 N -1.55 0.88 2.92 0.56 0.00 -0.44 -4.82 105.19 102.74 1ubm n GLY 317 Ca 0.06 -0.78 -0.18 0.00 0.00 0.00 0.00 46.02 45.12 1ubm n GLY 317 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1ubm s VAL 318 N -2.00 0.46 -0.03 1.61 1.01 -0.64 -2.10 120.40 118.71 1ubm s VAL 318 Ca 0.00 -0.15 0.02 0.00 0.00 0.00 0.00 61.98 61.85 1ubm s VAL 318 Cb 0.00 -0.45 0.00 0.00 0.00 0.00 0.00 36.38 35.93 1ubm s VAL 318 CO 0.00 0.17 -0.09 -0.69 0.00 0.00 0.00 175.10 174.50 1ubm s VAL 319 N 0.47 0.75 -0.04 2.92 1.01 0.25 -0.93 120.40 124.83 1ubm s VAL 319 Ca -0.06 -0.34 0.03 0.00 0.00 0.00 0.00 61.98 61.62 1ubm s VAL 319 Cb -0.09 -0.67 -0.03 0.00 0.00 0.00 0.00 36.38 35.59 1ubm s VAL 319 CO -0.00 0.24 -0.12 -0.36 0.00 0.00 0.00 175.10 174.86 1ubm s PHE 320 N 0.22 2.77 -1.49 5.22 0.08 -1.26 -0.99 117.98 122.54 1ubm s PHE 320 Ca -0.03 -0.10 -0.12 0.00 0.12 0.00 0.00 56.93 56.79 1ubm s PHE 320 Cb -0.09 -1.64 0.08 0.00 -0.57 0.00 0.00 43.02 40.81 1ubm s PHE 320 CO 0.00 0.25 0.81 1.63 -0.10 0.00 0.00 175.22 177.81 1ubm n LYS 321 N 2.15 -4.77 -1.56 0.44 4.76 -0.76 -1.44 118.16 116.98 1ubm n LYS 321 Ca -0.17 0.58 -0.18 0.00 -2.87 0.00 0.00 58.31 55.67 1ubm n LYS 321 Cb 0.52 -5.42 -0.08 0.00 -1.84 0.00 0.00 35.03 28.22 1ubm n LYS 321 CO 0.00 0.00 0.00 0.54 -1.37 0.00 0.00 177.40 176.57 1ubm n ARG 322 N -4.35 -1.27 -2.84 1.97 1.74 -0.53 -4.90 116.66 106.47 1ubm n ARG 322 Ca 0.02 1.13 -0.44 0.00 -0.77 0.00 0.00 57.85 57.79 1ubm n ARG 322 Cb 0.54 -5.41 -0.00 0.00 -1.02 0.00 0.00 32.46 26.56 1ubm n ARG 322 CO 0.00 0.00 0.00 0.34 -1.52 0.00 0.00 177.63 176.45 1ubm s ASP 323 N -2.78 6.94 0.00 0.55 3.68 -0.52 -4.73 116.67 119.80 1ubm s ASP 323 Ca 0.00 -2.70 0.30 0.00 2.13 0.00 0.00 52.55 52.29 1ubm s ASP 323 Cb 0.00 -2.45 1.54 0.00 -1.45 0.00 0.00 42.92 40.56 1ubm s ASP 323 CO 0.00 -0.92 2.05 0.49 0.13 0.00 0.00 175.17 176.93 1ubm n PHE 324 N 6.55 0.00 0.93 -5.34 3.72 -1.26 -2.12 117.46 119.94 1ubm n PHE 324 Ca 0.38 0.00 0.14 0.00 -0.05 0.00 0.00 57.45 57.92 1ubm n PHE 324 Cb 0.45 -0.21 0.54 0.00 -0.94 0.00 0.00 39.48 39.31 1ubm n PHE 324 CO 0.00 0.00 0.00 1.63 -0.05 0.00 0.00 176.76 178.34 1ubm n LYS 325 N -1.16 0.05 -3.29 -1.08 4.01 -1.26 -4.13 118.16 111.30 1ubm n LYS 325 Ca 0.16 0.04 -0.25 0.00 -0.51 0.00 0.00 58.31 57.74 1ubm n LYS 325 Cb 0.22 -1.55 -0.07 0.00 -0.51 0.00 0.00 35.03 33.12 1ubm n LYS 325 CO 0.00 0.00 0.00 0.09 -1.11 0.00 0.00 177.40 176.38 1ubm n ASN 326 N -1.64 2.37 -4.72 4.39 3.02 -0.90 -5.07 115.26 112.71 1ubm n ASN 326 Ca 0.07 -3.17 -0.42 0.00 -0.03 0.00 0.00 54.58 51.03 1ubm n ASN 326 Cb 0.36 -0.65 -0.03 0.00 -0.61 0.00 0.00 39.78 38.85 1ubm n ASN 326 CO 0.00 0.00 0.00 -0.63 -2.62 0.00 0.00 177.26 174.01 1ubm s ILE 327 N -2.15 3.06 0.07 2.41 1.01 -1.26 -4.80 121.20 119.55 1ubm s ILE 327 Ca 0.39 0.79 0.01 0.00 0.00 0.00 0.00 60.65 61.84 1ubm s ILE 327 Cb 0.18 -3.51 -0.04 0.00 0.01 0.00 0.00 42.46 39.10 1ubm s ILE 327 CO -0.06 0.08 0.20 -0.54 0.00 0.00 0.00 174.94 174.62 1ubm s LYS 328 N 0.74 3.37 0.55 2.79 -0.14 -0.10 -4.93 119.74 122.02 1ubm s LYS 328 Ca 0.64 -0.49 -0.20 0.00 -1.36 0.00 0.00 55.97 54.56 1ubm s LYS 328 Cb -0.39 -2.99 -0.05 0.00 -1.68 0.00 0.00 37.83 32.72 1ubm s LYS 328 CO 0.33 0.59 1.17 -1.25 -0.76 0.00 0.00 175.35 175.44 1ubm s PRO 329 N -2.58 3.28 -0.37 -1.68 0.04 -1.26 -1.62 135.00 130.81 1ubm s PRO 329 Ca 0.34 1.75 -0.27 0.00 0.04 0.00 0.00 61.00 62.85 1ubm s PRO 329 Cb -0.13 -2.06 0.02 0.00 0.04 0.00 0.00 34.50 32.37 1ubm s PRO 329 CO 0.27 -0.94 1.01 0.12 0.04 0.00 0.00 177.00 177.51 1ubm s PHE 330 N -1.65 3.06 -0.37 0.56 5.36 -1.26 -4.69 117.98 118.99 1ubm s PHE 330 Ca 0.73 0.91 -0.11 0.00 -0.96 0.00 0.00 56.93 57.51 1ubm s PHE 330 Cb -0.28 -3.78 0.03 0.00 -0.34 0.00 0.00 43.02 38.65 1ubm s PHE 330 CO 0.31 -0.87 0.20 0.34 -1.46 0.00 0.00 175.22 173.74 1ubm s ASP 331 N 1.89 5.71 0.40 6.13 3.68 -1.26 -4.96 116.67 128.26 1ubm s ASP 331 Ca 0.42 -1.03 0.28 0.00 2.13 0.00 0.00 52.55 54.36 1ubm s ASP 331 Cb -0.11 -2.01 1.36 0.00 -1.45 0.00 0.00 42.92 40.71 1ubm s ASP 331 CO 0.19 -0.39 1.86 0.07 0.13 0.00 0.00 175.17 177.03 1ubm h LYS 332 N 8.42 0.00 -0.00 4.34 2.10 -2.00 -1.24 116.57 128.19 1ubm h LYS 332 Ca -0.25 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.40 1ubm h LYS 332 Cb 1.10 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.43 1ubm h LYS 332 CO 0.67 0.00 -0.04 -1.33 -2.00 0.00 0.00 179.45 176.74 1ubm n MET 333 N -2.54 0.46 -0.26 0.07 2.81 -1.26 -3.55 117.12 112.85 1ubm n MET 333 Ca -0.00 -0.06 0.10 0.00 -1.81 0.00 0.00 57.70 55.93 1ubm n MET 333 Cb 0.15 -1.50 0.26 0.00 -0.71 0.00 0.00 33.22 31.43 1ubm n MET 333 CO 0.00 0.00 0.00 1.04 1.51 0.00 0.00 175.97 178.52 1ubm n GLN 334 N -1.22 2.33 -3.20 0.03 1.13 -0.47 -4.85 117.38 111.14 1ubm n GLN 334 Ca 0.14 -2.05 -0.39 0.00 -1.94 0.00 0.00 57.00 52.75 1ubm n GLN 334 Cb 0.26 -1.46 -0.06 0.00 0.11 0.00 0.00 30.24 29.08 1ubm n GLN 334 CO 0.00 0.00 0.00 0.42 -1.44 0.00 0.00 177.06 176.04 1ubm s ILE 335 N -1.32 5.08 -0.01 5.09 1.01 -1.23 -1.50 121.20 128.32 1ubm s ILE 335 Ca 0.39 1.07 0.02 0.00 0.00 0.00 0.00 60.65 62.12 1ubm s ILE 335 Cb 0.21 -3.89 -0.00 0.00 0.01 0.00 0.00 42.46 38.78 1ubm s ILE 335 CO 0.28 0.18 -0.06 -1.61 0.00 0.00 0.00 174.94 173.73 1ubm s GLU 336 N 1.53 0.47 -0.25 2.79 2.02 -0.65 -4.15 118.70 120.46 1ubm s GLU 336 Ca 0.27 -0.20 -0.07 0.00 0.02 0.00 0.00 54.97 54.99 1ubm s GLU 336 Cb -0.16 -0.45 -0.03 0.00 0.10 0.00 0.00 34.13 33.59 1ubm s GLU 336 CO 0.11 0.12 0.07 -1.21 0.02 0.00 0.00 175.26 174.37 1ubm s GLU 337 N -0.10 3.69 0.33 1.61 2.02 -0.25 -0.03 118.70 125.96 1ubm s GLU 337 Ca 0.02 -0.46 -0.12 0.00 0.02 0.00 0.00 54.97 54.43 1ubm s GLU 337 Cb -0.03 -3.33 -0.07 0.00 0.10 0.00 0.00 34.13 30.80 1ubm s GLU 337 CO -0.00 -0.15 0.69 -1.01 0.02 0.00 0.00 175.26 174.81 1ubm s HIS 338 N 1.53 3.42 0.00 1.61 3.76 0.12 -1.45 115.29 124.27 1ubm s HIS 338 Ca 0.06 1.05 0.00 0.00 -0.15 0.00 0.00 55.06 56.01 1ubm s HIS 338 Cb -0.15 -2.41 0.00 0.00 1.11 0.00 0.00 32.58 31.13 1ubm s HIS 338 CO 0.04 0.07 0.29 1.33 -0.85 0.00 0.00 174.74 175.62 1ubm n VAL 339 N -0.67 0.00 -0.12 -0.90 0.24 -1.26 -0.97 118.33 114.65 1ubm n VAL 339 Ca 0.02 -0.35 0.17 0.00 -2.04 0.00 0.00 64.34 62.14 1ubm n VAL 339 Cb 0.53 1.24 0.57 0.00 -1.47 0.00 0.00 33.84 34.71 1ubm n VAL 339 CO 0.00 0.00 0.00 -0.09 -2.14 0.00 0.00 176.83 174.60 1ubm h ARG 340 N 0.00 0.27 -0.23 7.34 9.65 -1.76 -0.41 114.38 129.23 1ubm h ARG 340 Ca 0.00 -0.02 0.00 0.00 -1.10 0.00 0.00 59.98 58.86 1ubm h ARG 340 Cb 0.12 -0.06 0.00 0.00 -1.39 0.00 0.00 29.97 28.64 1ubm h ARG 340 CO 0.00 0.18 0.00 0.72 2.80 0.00 0.00 179.97 183.67 1ubm n HIS 341 N -4.44 0.73 -4.35 2.20 8.25 -1.26 -4.63 115.22 111.72 1ubm n HIS 341 Ca 0.13 -0.82 -0.24 0.00 -0.26 0.00 0.00 57.72 56.53 1ubm n HIS 341 Cb 0.57 -0.24 -0.08 0.00 1.12 0.00 0.00 29.99 31.36 1ubm n HIS 341 CO 0.00 0.00 0.00 -1.12 0.64 0.00 0.00 176.34 175.86 1ubm s SER 342 N -1.88 4.23 -1.47 0.41 0.01 -0.17 -1.71 113.70 113.13 1ubm s SER 342 Ca 0.37 -0.75 -0.09 0.00 1.31 0.00 0.00 55.95 56.79 1ubm s SER 342 Cb 0.29 -0.67 0.02 0.00 0.21 0.00 0.00 66.02 65.87 1ubm s SER 342 CO 0.09 0.02 2.58 0.79 0.41 0.00 0.00 173.24 177.13 1ubm n TRP 343 N -0.71 2.66 -4.31 2.43 8.01 -0.20 -4.83 117.44 120.49 1ubm n TRP 343 Ca -0.07 -2.96 -0.16 0.00 -1.31 0.00 0.00 57.50 53.00 1ubm n TRP 343 Cb 0.59 -2.23 -0.10 0.00 -2.01 0.00 0.00 31.31 27.56 1ubm n TRP 343 CO 0.00 0.00 0.00 0.71 -1.01 0.00 0.00 177.69 177.39 1ubm s TYR 344 N 1.00 1.49 0.21 -5.99 1.51 -1.23 -0.56 117.35 113.77 1ubm s TYR 344 Ca 0.59 -0.79 -0.31 0.00 -1.01 0.00 0.00 57.07 55.55 1ubm s TYR 344 Cb 0.17 -0.80 -0.10 0.00 -0.11 0.00 0.00 41.96 41.12 1ubm s TYR 344 CO -0.07 0.09 1.56 -1.21 -1.11 0.00 0.00 175.55 174.81 1ubm s GLU 345 N -3.77 4.20 1.83 -0.62 2.02 0.06 -4.63 118.70 117.79 1ubm s GLU 345 Ca 0.23 2.41 0.00 0.00 0.02 0.00 0.00 54.97 57.63 1ubm s GLU 345 Cb 0.03 -3.11 0.00 0.00 0.10 0.00 0.00 34.13 31.15 1ubm s GLU 345 CO 0.05 -0.58 0.00 0.41 0.02 0.00 0.00 175.26 175.16 1ubm n GLY 346 N 3.17 -1.54 0.08 -1.39 0.00 -1.26 -4.64 105.19 99.62 1ubm n GLY 346 Ca 0.12 -1.37 0.00 0.00 0.00 0.00 0.00 46.02 44.77 1ubm n GLY 346 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1ubm n ALA 347 N 1.83 1.17 -2.66 4.61 0.00 -1.26 -4.36 120.51 119.83 1ubm n ALA 347 Ca 0.00 -0.54 -0.41 0.00 0.00 0.00 0.00 53.44 52.49 1ubm n ALA 347 Cb 0.00 -0.08 -0.05 0.00 0.00 0.00 0.00 19.45 19.32 1ubm n ALA 347 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 177.50 175.50 1ubm s GLU 348 N 0.00 4.23 0.44 0.00 2.12 -1.26 -4.38 118.70 119.84 1ubm s GLU 348 Ca 0.00 0.76 -0.23 0.00 0.36 0.00 0.00 54.97 55.86 1ubm s GLU 348 Cb 0.00 -3.59 -0.08 0.00 0.26 0.00 0.00 34.13 30.72 1ubm s GLU 348 CO 0.00 -0.30 1.09 0.00 -0.54 0.00 0.00 175.26 175.50 1ubm s ALA 349 N 2.11 3.00 -0.01 6.30 0.00 -1.26 -4.49 121.76 127.41 1ubm s ALA 349 Ca 0.32 0.77 0.01 0.00 0.00 0.00 0.00 51.96 53.06 1ubm s ALA 349 Cb -0.16 -3.31 0.00 0.00 0.00 0.00 0.00 23.12 19.66 1ubm s ALA 349 CO 0.11 -0.39 -0.04 1.03 0.00 0.00 0.00 175.76 176.47 1ubm s ARG 350 N -2.70 0.37 0.33 0.00 1.81 -0.53 -4.87 118.95 113.37 1ubm s ARG 350 Ca 0.62 -0.11 -0.29 0.00 -1.72 0.00 0.00 55.73 54.23 1ubm s ARG 350 Cb -0.23 -0.39 -0.10 0.00 -0.45 0.00 0.00 34.95 33.78 1ubm s ARG 350 CO 0.29 0.04 1.36 -1.58 -0.68 0.00 0.00 175.30 174.73 1ubm s HIS 351 N 0.15 2.94 0.56 -0.53 5.65 -1.26 -1.10 115.29 121.71 1ubm s HIS 351 Ca -0.01 1.32 0.26 0.00 0.25 0.00 0.00 55.06 56.88 1ubm s HIS 351 Cb -0.04 -3.77 1.53 0.00 -1.18 0.00 0.00 32.58 29.12 1ubm s HIS 351 CO -0.00 -2.18 2.07 -1.35 -0.65 0.00 0.00 174.74 172.62 1ubm h PRO 352 N 3.46 0.00 0.00 2.88 0.11 -1.95 0.19 132.00 136.68 1ubm h PRO 352 Ca -0.49 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.62 1ubm h PRO 352 Cb 1.23 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.34 1ubm h PRO 352 CO 0.66 0.00 0.00 0.91 -0.21 0.00 0.00 178.00 179.36 1ubm n TRP 353 N -4.04 0.24 -1.74 0.65 8.01 -1.26 -1.84 117.44 117.46 1ubm n TRP 353 Ca 0.03 0.09 0.06 0.00 -1.31 0.00 0.00 57.50 56.37 1ubm n TRP 353 Cb 0.39 -0.65 0.15 0.00 -2.01 0.00 0.00 31.31 29.19 1ubm n TRP 353 CO 0.00 0.00 0.00 1.63 -1.01 0.00 0.00 177.69 178.31 1ubm n LYS 354 N -1.72 1.17 -1.48 -0.99 5.02 0.59 -4.94 118.16 115.81 1ubm n LYS 354 Ca 0.04 -2.87 -0.30 0.00 -2.02 0.00 0.00 58.31 53.15 1ubm n LYS 354 Cb 0.21 -1.23 0.08 0.00 -0.02 0.00 0.00 35.03 34.07 1ubm n LYS 354 CO 0.00 0.00 0.00 0.20 -0.52 0.00 0.00 177.40 177.08 1ubm s GLY 355 N -2.86 1.64 -0.01 0.72 0.00 -0.76 -4.68 107.32 101.38 1ubm s GLY 355 Ca 0.35 -0.04 -0.00 0.00 0.00 0.00 0.00 44.72 45.03 1ubm s GLY 355 CO -0.08 0.35 0.01 1.20 0.00 0.00 0.00 173.10 174.59 1ubm s GLN 356 N -5.06 -0.01 -0.44 2.90 -0.21 -1.26 -5.02 119.66 110.56 1ubm s GLN 356 Ca 0.60 0.07 0.02 0.00 0.02 0.00 0.00 55.36 56.07 1ubm s GLN 356 Cb -0.15 -0.08 0.15 0.00 1.00 0.00 0.00 33.01 33.93 1ubm s GLN 356 CO 0.55 -0.06 0.28 0.99 -2.12 0.00 0.00 175.29 174.93 1ubm s THR 357 N 0.36 1.03 -0.63 -0.19 2.01 -1.26 -5.04 115.64 111.92 1ubm s THR 357 Ca -0.03 -2.53 0.05 0.00 0.31 0.00 0.00 61.69 59.48 1ubm s THR 357 Cb -0.04 -1.72 0.16 0.00 0.01 0.00 0.00 72.50 70.90 1ubm s THR 357 CO -0.01 -0.99 0.41 -1.10 -0.69 0.00 0.00 174.62 172.23 1ubm s GLN 358 N 0.30 2.22 0.38 4.92 -0.21 -1.26 -4.87 119.66 121.14 1ubm s GLN 358 Ca 0.21 -3.04 -0.27 0.00 0.02 0.00 0.00 55.36 52.28 1ubm s GLN 358 Cb -0.17 -3.27 -0.10 0.00 1.00 0.00 0.00 33.01 30.47 1ubm s GLN 358 CO -0.05 -1.23 1.39 -1.25 -2.12 0.00 0.00 175.29 172.03 1ubm s PRO 359 N -0.99 4.07 -0.28 2.91 0.04 -1.26 -0.76 135.00 138.73 1ubm s PRO 359 Ca 0.23 2.37 0.02 0.00 0.04 0.00 0.00 61.00 63.66 1ubm s PRO 359 Cb -0.11 -2.90 0.17 0.00 0.04 0.00 0.00 34.50 31.69 1ubm s PRO 359 CO -0.11 -0.48 0.46 0.21 0.04 0.00 0.00 177.00 177.12 1ubm s LYS 360 N -2.11 0.45 0.09 4.56 2.20 0.28 -4.66 119.74 120.55 1ubm s LYS 360 Ca 0.54 0.39 -0.24 0.00 -0.36 0.00 0.00 55.97 56.30 1ubm s LYS 360 Cb -0.43 -0.13 -0.07 0.00 -1.51 0.00 0.00 37.83 35.70 1ubm s LYS 360 CO 0.57 -0.92 0.72 -0.47 -0.36 0.00 0.00 175.35 174.89 1ubm s TYR 361 N 2.64 3.81 0.00 4.03 5.04 -1.26 -3.56 117.35 128.04 1ubm s TYR 361 Ca 0.12 1.48 0.00 0.00 -2.44 0.00 0.00 57.07 56.22 1ubm s TYR 361 Cb -0.13 -2.73 0.00 0.00 0.35 0.00 0.00 41.96 39.45 1ubm s TYR 361 CO -0.26 0.42 0.68 0.25 -1.34 0.00 0.00 175.55 175.30 1ubm n THR 362 N 2.19 0.45 -0.87 4.34 -2.24 -1.26 -5.11 114.28 111.79 1ubm n THR 362 Ca -0.05 -0.52 0.12 0.00 -2.27 0.00 0.00 64.05 61.33 1ubm n THR 362 Cb 0.50 0.86 -0.03 0.00 -2.10 0.00 0.00 70.33 69.56 1ubm n THR 362 CO 0.00 0.00 0.00 -0.67 -0.57 0.00 0.00 175.07 173.83 1ubm n ASP 363 N -0.23 -5.19 -4.65 3.42 4.64 -1.26 -3.57 116.55 109.71 1ubm n ASP 363 Ca 0.00 0.44 -0.42 0.00 -1.38 0.00 0.00 54.79 53.42 1ubm n ASP 363 Cb 0.30 -2.69 -0.03 0.00 -1.04 0.00 0.00 41.12 37.66 1ubm n ASP 363 CO 0.00 0.00 0.00 -0.76 -0.82 0.00 0.00 177.20 175.62 1ubm s LEU 364 N -5.51 4.15 -0.09 -2.67 1.43 -1.26 -1.71 118.68 113.01 1ubm s LEU 364 Ca 0.00 2.12 0.00 0.00 -1.03 0.00 0.00 54.13 55.22 1ubm s LEU 364 Cb 0.00 -3.53 0.00 0.00 0.03 0.00 0.00 46.19 42.69 1ubm s LEU 364 CO 0.00 -1.14 0.00 1.41 0.23 0.00 0.00 176.35 176.85 1ubm n HIS 365 N 8.00 0.00 -1.79 0.29 8.25 0.55 -4.98 115.22 125.55 1ubm n HIS 365 Ca 0.19 0.00 -0.42 0.00 -0.26 0.00 0.00 57.72 57.23 1ubm n HIS 365 Cb 0.43 -1.43 -0.03 0.00 1.12 0.00 0.00 29.99 30.08 1ubm n HIS 365 CO 0.00 0.00 0.00 0.20 0.64 0.00 0.00 176.34 177.18 1ubm s GLY 366 N -2.05 1.46 -1.43 -1.41 0.00 -0.69 -1.60 107.32 101.59 1ubm s GLY 366 Ca 0.00 1.27 -0.05 0.00 0.00 0.00 0.00 44.72 45.94 1ubm s GLY 366 CO 0.00 3.19 0.43 1.34 0.00 0.00 0.00 173.10 178.06 1ubm n ASP 367 N 6.56 -5.08 -2.08 1.64 4.64 -1.26 -1.18 116.55 119.78 1ubm n ASP 367 Ca 0.18 -0.22 -0.19 0.00 -1.38 0.00 0.00 54.79 53.18 1ubm n ASP 367 Cb 0.40 -4.16 -0.02 0.00 -1.04 0.00 0.00 41.12 36.30 1ubm n ASP 367 CO 0.00 0.00 0.00 -0.67 -0.82 0.00 0.00 177.20 175.71 1ubm n ASP 368 N -2.30 -5.45 -4.58 1.67 4.64 -0.63 -4.93 116.55 104.97 1ubm n ASP 368 Ca -0.10 0.04 -0.34 0.00 -1.38 0.00 0.00 54.79 53.01 1ubm n ASP 368 Cb 0.60 -4.51 -0.11 0.00 -1.04 0.00 0.00 41.12 36.06 1ubm n ASP 368 CO 0.00 0.00 0.00 -0.13 -0.82 0.00 0.00 177.20 176.25 1ubm s ARG 369 N -4.80 2.86 0.00 -0.67 0.52 -0.32 -4.47 118.95 112.07 1ubm s ARG 369 Ca 0.00 -0.54 0.00 0.00 -0.52 0.00 0.00 55.73 54.67 1ubm s ARG 369 Cb 0.00 -2.64 0.00 0.00 0.52 0.00 0.00 34.95 32.83 1ubm s ARG 369 CO 0.00 0.62 0.61 2.48 0.02 0.00 0.00 175.30 179.03 1ubm n TYR 370 N 2.36 0.00 -3.67 -0.53 4.11 -0.69 -0.33 117.16 118.41 1ubm n TYR 370 Ca -0.18 0.00 -0.15 0.00 -0.00 0.00 0.00 57.90 57.57 1ubm n TYR 370 Cb 0.53 0.07 -0.08 0.00 -0.00 0.00 0.00 39.34 39.86 1ubm n TYR 370 CO 0.00 0.00 0.00 0.45 -0.00 0.00 0.00 176.86 177.31 1ubm s SER 371 N -0.37 -0.37 0.00 9.48 0.15 -1.24 -4.16 113.70 117.19 1ubm s SER 371 Ca 0.00 0.32 0.28 0.00 0.70 0.00 0.00 55.95 57.24 1ubm s SER 371 Cb 0.00 0.40 1.03 0.00 -1.71 0.00 0.00 66.02 65.74 1ubm s SER 371 CO 0.00 -0.52 1.75 0.79 1.20 0.00 0.00 173.24 176.47 1ubm n TRP 372 N 1.11 0.00 -2.66 3.44 7.02 -0.81 -1.03 117.44 124.50 1ubm n TRP 372 Ca -0.21 0.00 -0.40 0.00 -1.02 0.00 0.00 57.50 55.87 1ubm n TRP 372 Cb 0.56 -0.29 -0.05 0.00 -2.42 0.00 0.00 31.31 29.12 1ubm n TRP 372 CO 0.00 0.00 0.00 -1.64 -2.02 0.00 0.00 177.69 174.03 1ubm s MET 373 N -2.76 4.74 0.83 -0.99 -1.94 -1.26 -4.79 119.30 113.12 1ubm s MET 373 Ca 0.20 1.57 -0.12 0.00 -1.71 0.00 0.00 55.69 55.63 1ubm s MET 373 Cb 0.19 -3.29 0.09 0.00 2.01 0.00 0.00 34.83 33.83 1ubm s MET 373 CO 0.55 0.31 1.14 0.15 -0.01 0.00 0.00 175.02 177.17 1ubm s LYS 374 N -0.76 1.80 -0.48 2.03 1.02 -1.26 -4.52 119.74 117.57 1ubm s LYS 374 Ca 0.45 0.28 0.02 0.00 0.02 0.00 0.00 55.97 56.73 1ubm s LYS 374 Cb -0.27 -1.92 0.13 0.00 -0.52 0.00 0.00 37.83 35.25 1ubm s LYS 374 CO 0.33 -1.74 0.24 0.00 -0.92 0.00 0.00 175.35 173.26 1ubm s ALA 375 N -3.40 3.24 0.27 5.17 0.00 -0.14 -4.33 121.76 122.58 1ubm s ALA 375 Ca 0.62 -2.99 -0.29 0.00 0.00 0.00 0.00 51.96 49.29 1ubm s ALA 375 Cb -0.13 -2.25 -0.09 0.00 0.00 0.00 0.00 23.12 20.65 1ubm s ALA 375 CO 0.51 -1.93 1.19 -2.14 0.00 0.00 0.00 175.76 173.40 1ubm s PRO 376 N 0.23 4.52 0.02 0.00 0.02 -1.26 -0.71 135.00 137.83 1ubm s PRO 376 Ca 0.14 1.95 0.03 0.00 0.02 0.00 0.00 61.00 63.15 1ubm s PRO 376 Cb -0.23 -3.16 -0.02 0.00 0.02 0.00 0.00 34.50 31.11 1ubm s PRO 376 CO -0.03 0.02 -0.10 1.03 -0.33 0.00 0.00 177.00 177.59 1ubm s ARG 377 N -1.26 0.70 -0.23 5.54 1.81 0.95 -4.66 118.95 121.81 1ubm s ARG 377 Ca 0.48 -0.54 -0.04 0.00 -1.72 0.00 0.00 55.73 53.91 1ubm s ARG 377 Cb -0.35 -0.64 -0.00 0.00 -0.45 0.00 0.00 34.95 33.51 1ubm s ARG 377 CO 0.44 0.16 -0.03 -0.47 -0.68 0.00 0.00 175.30 174.71 1ubm s TYR 378 N -0.67 2.98 -1.50 -0.53 6.14 -0.36 -1.64 117.35 121.78 1ubm s TYR 378 Ca -0.00 -0.97 -0.15 0.00 0.64 0.00 0.00 57.07 56.59 1ubm s TYR 378 Cb -0.06 -2.12 0.12 0.00 0.42 0.00 0.00 41.96 40.32 1ubm s TYR 378 CO 0.00 -0.56 0.68 -1.33 0.64 0.00 0.00 175.55 174.98 1ubm n MET 379 N 4.80 -3.41 -0.94 4.97 2.81 -0.56 -0.96 117.12 123.83 1ubm n MET 379 Ca -0.18 0.41 0.00 0.00 -1.81 0.00 0.00 57.70 56.13 1ubm n MET 379 Cb 0.50 -5.15 0.00 0.00 -0.71 0.00 0.00 33.22 27.87 1ubm n MET 379 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 1ubm n GLY 380 N -1.30 0.54 3.77 3.03 0.00 -1.26 -5.03 105.19 104.93 1ubm n GLY 380 Ca 0.04 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.74 1ubm n GLY 380 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1ubm s GLU 381 N -0.41 2.99 0.13 1.61 0.41 -0.13 -4.97 118.70 118.33 1ubm s GLU 381 Ca 0.00 -0.56 -0.30 0.00 -0.41 0.00 0.00 54.97 53.70 1ubm s GLU 381 Cb 0.00 -2.80 -0.06 0.00 -1.78 0.00 0.00 34.13 29.48 1ubm s GLU 381 CO 0.00 0.62 1.07 -1.25 -0.49 0.00 0.00 175.26 175.21 1ubm s PRO 382 N -1.95 4.59 -0.08 0.39 0.04 -1.26 -1.22 135.00 135.51 1ubm s PRO 382 Ca 0.25 1.64 0.02 0.00 0.04 0.00 0.00 61.00 62.95 1ubm s PRO 382 Cb -0.12 -3.33 0.01 0.00 0.04 0.00 0.00 34.50 31.10 1ubm s PRO 382 CO 0.16 0.05 -0.15 -1.64 0.04 0.00 0.00 177.00 175.46 1ubm s MET 383 N 0.05 2.07 0.28 4.56 -1.94 -1.26 -4.45 119.30 118.60 1ubm s MET 383 Ca 0.50 -0.53 -0.29 0.00 -1.71 0.00 0.00 55.69 53.66 1ubm s MET 383 Cb -0.27 -1.68 -0.09 0.00 2.01 0.00 0.00 34.83 34.79 1ubm s MET 383 CO 0.32 0.04 1.03 -2.00 -0.01 0.00 0.00 175.02 174.40 1ubm s GLU 384 N 0.68 4.69 0.24 2.03 2.12 0.30 -4.28 118.70 124.47 1ubm s GLU 384 Ca -0.14 1.64 0.02 0.00 0.36 0.00 0.00 54.97 56.85 1ubm s GLU 384 Cb -0.16 -3.16 -0.05 0.00 0.26 0.00 0.00 34.13 31.02 1ubm s GLU 384 CO 0.04 0.31 0.06 -0.08 -0.54 0.00 0.00 175.26 175.04 1ubm s THR 385 N -1.23 0.68 0.00 -1.70 -1.32 -1.26 -0.96 115.64 109.85 1ubm s THR 385 Ca 0.44 -2.00 0.00 0.00 -1.21 0.00 0.00 61.69 58.93 1ubm s THR 385 Cb -0.28 -2.47 0.00 0.00 -1.51 0.00 0.00 72.50 68.23 1ubm s THR 385 CO 0.36 -0.16 0.00 0.61 -2.21 0.00 0.00 174.62 173.21 1ubm n GLY 386 N -0.41 0.02 0.36 6.08 0.00 -1.06 -4.69 105.19 105.50 1ubm n GLY 386 Ca -0.02 -2.27 0.08 0.00 0.00 0.00 0.00 46.02 43.81 1ubm n GLY 386 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 1ubm h PRO 387 N 6.29 0.77 -0.23 1.61 0.11 -1.83 -0.56 132.00 138.16 1ubm h PRO 387 Ca 0.00 -0.05 -0.16 0.00 0.11 0.00 0.00 66.00 65.90 1ubm h PRO 387 Cb 0.00 -0.17 -0.01 0.00 0.11 0.00 0.00 31.00 30.93 1ubm h PRO 387 CO 0.00 0.51 -0.51 1.25 -0.21 0.00 0.00 178.00 179.04 1ubm h LEU 388 N 0.79 0.71 -0.36 2.35 5.85 -1.86 -0.26 115.31 122.52 1ubm h LEU 388 Ca 0.39 -0.36 -0.04 0.00 0.84 0.00 0.00 57.88 58.71 1ubm h LEU 388 Cb 0.45 -0.20 -0.01 0.00 0.37 0.00 0.00 40.66 41.26 1ubm h LEU 388 CO -0.16 1.09 0.08 0.00 -0.34 0.00 0.00 178.44 179.11 1ubm h ALA 389 N 0.93 0.48 -0.29 1.25 0.00 -1.61 -0.46 119.26 119.56 1ubm h ALA 389 Ca 0.02 -0.19 -0.01 0.00 0.00 0.00 0.00 54.91 54.73 1ubm h ALA 389 Cb 1.06 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 18.70 1ubm h ALA 389 CO 0.10 0.16 0.13 0.37 0.00 0.00 0.00 179.25 180.01 1ubm h GLN 390 N 0.44 0.42 -0.04 0.00 4.15 -0.94 -1.01 115.11 118.13 1ubm h GLN 390 Ca 0.11 -0.07 -0.01 0.00 0.77 0.00 0.00 58.65 59.46 1ubm h GLN 390 Cb 0.31 -0.07 -0.00 0.00 0.21 0.00 0.00 27.48 27.93 1ubm h GLN 390 CO 0.00 0.41 -0.01 0.28 -1.93 0.00 0.00 178.83 177.58 1ubm h VAL 391 N 0.33 1.31 -0.54 2.39 2.07 -1.02 -0.57 116.25 120.22 1ubm h VAL 391 Ca 0.10 -0.94 -0.06 0.00 0.82 0.00 0.00 66.70 66.62 1ubm h VAL 391 Cb 0.14 1.86 -0.02 0.00 -1.52 0.00 0.00 31.29 31.74 1ubm h VAL 391 CO -0.01 0.25 0.10 -0.07 0.02 0.00 0.00 177.57 177.87 1ubm h LEU 392 N -0.28 0.84 -0.39 2.57 3.38 -1.03 0.40 115.31 120.81 1ubm h LEU 392 Ca 0.01 -0.25 -0.15 0.00 0.09 0.00 0.00 57.88 57.58 1ubm h LEU 392 Cb 0.42 -0.22 -0.01 0.00 0.09 0.00 0.00 40.66 40.93 1ubm h LEU 392 CO 0.00 0.88 -0.34 0.40 0.09 0.00 0.00 178.44 179.48 1ubm h ILE 393 N 0.77 1.28 -0.64 1.22 2.04 -1.18 -1.40 117.51 119.60 1ubm h ILE 393 Ca 0.17 -1.51 -0.04 0.00 1.00 0.00 0.00 64.86 64.48 1ubm h ILE 393 Cb 0.38 1.37 -0.03 0.00 -0.74 0.00 0.00 36.82 37.81 1ubm h ILE 393 CO 0.01 0.50 0.25 0.00 0.00 0.00 0.00 178.15 178.91 1ubm h ALA 394 N 0.78 0.83 -0.45 1.87 0.00 -0.85 -1.19 119.26 120.24 1ubm h ALA 394 Ca 0.07 -0.18 0.09 0.00 0.00 0.00 0.00 54.91 54.88 1ubm h ALA 394 Cb 0.93 -0.25 -0.08 0.00 0.00 0.00 0.00 17.79 18.39 1ubm h ALA 394 CO 0.09 0.46 -0.01 -0.92 0.00 0.00 0.00 179.25 178.86 1ubm h TYR 395 N 0.90 -0.05 0.00 0.00 3.20 -0.81 -1.04 116.97 119.17 1ubm h TYR 395 Ca 0.21 0.03 0.00 0.00 3.14 0.00 0.00 58.73 62.12 1ubm h TYR 395 Cb 0.22 0.09 0.00 0.00 1.54 0.00 0.00 36.73 38.58 1ubm h TYR 395 CO 0.01 -0.11 0.00 0.43 -1.64 0.00 0.00 178.16 176.86 1ubm n SER 396 N -5.23 0.61 -0.57 -2.11 7.64 -0.54 -2.03 113.62 111.40 1ubm n SER 396 Ca 0.04 0.64 0.13 0.00 1.01 0.00 0.00 58.87 60.69 1ubm n SER 396 Cb 0.24 -0.77 0.33 0.00 -1.01 0.00 0.00 64.21 63.00 1ubm n SER 396 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1ubm n GLN 397 N -2.16 1.65 -0.75 1.43 6.02 -0.53 -4.95 117.38 118.09 1ubm n GLN 397 Ca 0.03 -1.15 0.00 0.00 -0.01 0.00 0.00 57.00 55.87 1ubm n GLN 397 Cb 0.25 -1.48 0.00 0.00 1.02 0.00 0.00 30.24 30.03 1ubm n GLN 397 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 1ubm n GLY 398 N 1.28 0.54 3.63 1.08 0.00 -0.86 -4.99 105.19 105.87 1ubm n GLY 398 Ca 0.15 -0.78 -0.42 0.00 0.00 0.00 0.00 46.02 44.97 1ubm n GLY 398 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 173.32 171.74 1ubm s HIS 399 N -2.00 1.22 0.21 1.61 5.04 -0.49 -4.85 115.29 116.04 1ubm s HIS 399 Ca 0.00 -0.03 -0.02 0.00 -1.54 0.00 0.00 55.06 53.48 1ubm s HIS 399 Cb 0.00 -4.11 0.19 0.00 0.04 0.00 0.00 32.58 28.70 1ubm s HIS 399 CO 0.00 -4.94 1.57 -1.00 -2.34 0.00 0.00 174.74 168.04 1ubm h PRO 400 N 12.59 0.57 -0.14 2.88 0.13 -1.94 -0.52 132.00 145.58 1ubm h PRO 400 Ca -0.46 -0.30 -0.02 0.00 -0.87 0.00 0.00 66.00 64.35 1ubm h PRO 400 Cb 1.24 0.01 -0.01 0.00 0.13 0.00 0.00 31.00 32.38 1ubm h PRO 400 CO 0.95 0.89 0.01 0.87 -0.23 0.00 0.00 178.00 180.49 1ubm h LYS 401 N 0.46 0.24 -0.61 0.86 1.79 -1.99 -2.17 116.57 115.15 1ubm h LYS 401 Ca 0.03 -0.07 -0.00 0.00 -2.18 0.00 0.00 60.65 58.43 1ubm h LYS 401 Cb 0.94 -0.02 -0.03 0.00 -1.58 0.00 0.00 32.23 31.54 1ubm h LYS 401 CO 0.08 0.45 0.37 0.28 -1.08 0.00 0.00 179.45 179.56 1ubm h VAL 402 N -0.01 1.18 -0.65 0.50 2.07 -1.94 -2.20 116.25 115.20 1ubm h VAL 402 Ca 0.04 -0.40 -0.02 0.00 0.82 0.00 0.00 66.70 67.14 1ubm h VAL 402 Cb 0.34 0.34 -0.03 0.00 -1.52 0.00 0.00 31.29 30.42 1ubm h VAL 402 CO 0.01 0.19 0.35 0.50 0.02 0.00 0.00 177.57 178.63 1ubm h LYS 403 N 0.83 0.92 -0.01 1.57 3.64 -0.99 0.02 116.57 122.55 1ubm h LYS 403 Ca 0.22 -0.11 -0.00 0.00 -1.27 0.00 0.00 60.65 59.48 1ubm h LYS 403 Cb -0.02 -0.18 -0.00 0.00 -0.41 0.00 0.00 32.23 31.62 1ubm h LYS 403 CO -0.04 0.70 0.01 0.00 -2.27 0.00 0.00 179.45 177.85 1ubm h ALA 404 N 1.16 0.01 -0.47 5.00 0.00 -1.12 0.25 119.26 124.10 1ubm h ALA 404 Ca 0.23 -0.06 -0.10 0.00 0.00 0.00 0.00 54.91 54.98 1ubm h ALA 404 Cb 0.06 -0.00 -0.01 0.00 0.00 0.00 0.00 17.79 17.83 1ubm h ALA 404 CO -0.03 -0.43 -0.09 0.28 0.00 0.00 0.00 179.25 178.97 1ubm h VAL 405 N -0.10 1.27 -0.16 0.00 2.07 -1.38 -1.80 116.25 116.16 1ubm h VAL 405 Ca 0.00 -1.21 -0.01 0.00 0.82 0.00 0.00 66.70 66.30 1ubm h VAL 405 Cb 0.11 1.09 -0.01 0.00 -1.52 0.00 0.00 31.29 30.96 1ubm h VAL 405 CO -0.00 0.42 0.04 0.74 0.02 0.00 0.00 177.57 178.79 1ubm h THR 406 N 0.74 1.19 -0.99 2.57 2.02 -0.81 -0.98 112.91 116.64 1ubm h THR 406 Ca 0.12 -0.60 0.03 0.00 0.77 0.00 0.00 66.41 66.73 1ubm h THR 406 Cb 0.63 1.30 -0.05 0.00 -1.74 0.00 0.00 68.15 68.29 1ubm h THR 406 CO 0.04 0.18 0.65 0.44 0.37 0.00 0.00 175.52 177.21 1ubm h ASP 407 N 0.06 1.10 -0.49 4.18 3.32 -0.47 -0.43 116.42 123.70 1ubm h ASP 407 Ca 0.05 -0.02 -0.03 0.00 0.02 0.00 0.00 57.03 57.05 1ubm h ASP 407 Cb 0.24 -0.26 -0.02 0.00 0.22 0.00 0.00 39.33 39.51 1ubm h ASP 407 CO -0.00 0.77 0.20 0.00 -1.72 0.00 0.00 179.24 178.49 1ubm h ALA 408 N 1.39 0.64 0.04 3.45 0.00 -1.06 0.16 119.26 123.87 1ubm h ALA 408 Ca 0.38 -0.15 0.00 0.00 0.00 0.00 0.00 54.91 55.14 1ubm h ALA 408 Cb -0.06 -0.19 -0.00 0.00 0.00 0.00 0.00 17.79 17.54 1ubm h ALA 408 CO -0.11 0.25 -0.04 0.28 0.00 0.00 0.00 179.25 179.63 1ubm h VAL 409 N 0.65 0.92 -0.69 0.00 2.07 -0.61 -0.05 116.25 118.54 1ubm h VAL 409 Ca 0.16 0.00 0.10 0.00 0.82 0.00 0.00 66.70 67.78 1ubm h VAL 409 Cb 0.19 0.92 -0.07 0.00 -1.52 0.00 0.00 31.29 30.81 1ubm h VAL 409 CO -0.01 0.00 0.33 -0.07 0.02 0.00 0.00 177.57 177.83 1ubm h LEU 410 N -0.08 0.41 -0.92 2.57 4.07 -0.95 -1.12 115.31 119.29 1ubm h LEU 410 Ca 0.00 0.07 -0.08 0.00 0.08 0.00 0.00 57.88 57.95 1ubm h LEU 410 Cb 0.08 0.00 -0.02 0.00 1.08 0.00 0.00 40.66 41.80 1ubm h LEU 410 CO -0.01 0.23 -0.09 0.00 -1.08 0.00 0.00 178.44 177.49 1ubm h ALA 411 N 1.43 1.09 -0.21 1.53 0.00 -0.05 -0.96 119.26 122.09 1ubm h ALA 411 Ca 0.35 -0.29 -0.14 0.00 0.00 0.00 0.00 54.91 54.82 1ubm h ALA 411 Cb 0.38 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 18.00 1ubm h ALA 411 CO -0.28 0.56 -0.46 -0.22 0.00 0.00 0.00 179.25 178.85 1ubm h LYS 412 N 0.64 0.54 0.00 0.00 1.63 -0.11 -2.77 116.57 116.50 1ubm h LYS 412 Ca 0.11 -0.30 0.00 0.00 -0.85 0.00 0.00 60.65 59.62 1ubm h LYS 412 Cb 0.53 0.02 0.00 0.00 -0.60 0.00 0.00 32.23 32.18 1ubm h LYS 412 CO 0.03 0.89 -0.08 1.28 -3.45 0.00 0.00 179.45 178.12 1ubm n LEU 413 N -4.00 0.19 -3.15 5.20 4.77 -0.51 -4.92 117.00 114.58 1ubm n LEU 413 Ca -0.02 0.44 -0.17 0.00 -0.03 0.00 0.00 56.01 56.23 1ubm n LEU 413 Cb 0.55 -0.44 0.07 0.00 -2.33 0.00 0.00 43.42 41.28 1ubm n LEU 413 CO 0.46 -0.01 0.15 0.61 -1.33 0.00 0.00 177.39 177.26 1ubm n GLY 414 N 1.47 -0.30 3.32 -0.72 0.00 -0.41 -5.00 105.19 103.55 1ubm n GLY 414 Ca 0.07 0.07 -0.17 0.00 0.00 0.00 0.00 46.02 45.99 1ubm n GLY 414 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1ubm s VAL 415 N -3.30 0.99 0.51 1.61 -7.23 -0.97 -5.06 120.40 106.95 1ubm s VAL 415 Ca 0.21 -2.03 0.03 0.00 -1.81 0.00 0.00 61.98 58.38 1ubm s VAL 415 Cb -0.09 -2.31 0.03 0.00 0.56 0.00 0.00 36.38 34.57 1ubm s VAL 415 CO 0.64 -0.35 0.71 -0.83 -0.31 0.00 0.00 175.10 174.96 1ubm s GLY 416 N -3.29 1.86 0.56 2.32 0.00 -1.26 -4.61 107.32 102.90 1ubm s GLY 416 Ca 0.28 -1.44 0.24 0.00 0.00 0.00 0.00 44.72 43.81 1ubm s GLY 416 CO 0.08 -1.18 2.13 -0.56 0.00 0.00 0.00 173.10 173.57 1ubm h PRO 417 N 0.24 0.00 0.00 2.90 0.13 -2.01 0.12 132.00 133.38 1ubm h PRO 417 Ca -0.41 0.00 -0.01 0.00 -0.87 0.00 0.00 66.00 64.71 1ubm h PRO 417 Cb 1.29 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.42 1ubm h PRO 417 CO 0.50 0.00 -0.03 0.93 -0.23 0.00 0.00 178.00 179.17 1ubm h GLU 418 N 0.00 0.00 0.00 0.86 3.07 -2.00 -0.56 114.58 115.95 1ubm h GLU 418 Ca 0.07 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 58.93 1ubm h GLU 418 Cb 0.34 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.25 1ubm h GLU 418 CO -0.00 0.03 0.00 0.00 -1.40 0.00 0.00 179.01 177.63 1ubm h ALA 419 N 1.97 1.00 0.00 3.43 0.00 -1.10 -2.70 119.26 121.86 1ubm h ALA 419 Ca -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 54.91 54.91 1ubm h ALA 419 Cb 0.20 0.00 -0.00 0.00 0.00 0.00 0.00 17.79 17.99 1ubm h ALA 419 CO 0.00 0.00 -0.02 -0.07 0.00 0.00 0.00 179.25 179.16 1ubm h LEU 420 N 0.00 0.00 -6.12 0.00 3.38 -1.27 -3.34 115.31 107.95 1ubm h LEU 420 Ca 0.00 0.00 -0.73 0.00 0.09 0.00 0.00 57.88 57.24 1ubm h LEU 420 Cb 0.25 0.00 -0.09 0.00 0.09 0.00 0.00 40.66 40.91 1ubm h LEU 420 CO 0.00 0.02 2.63 0.49 0.09 0.00 0.00 178.44 181.67 1ubm n PHE 421 N -3.13 3.13 -3.86 1.13 3.72 -1.02 -3.82 117.46 113.61 1ubm n PHE 421 Ca 0.00 -2.89 -0.01 0.00 -0.05 0.00 0.00 57.45 54.51 1ubm n PHE 421 Cb 0.29 -2.23 0.01 0.00 -0.94 0.00 0.00 39.48 36.62 1ubm n PHE 421 CO 0.00 0.00 0.00 -1.54 -0.05 0.00 0.00 176.76 175.17 1ubm s SER 422 N 1.89 -0.02 0.24 4.37 1.04 -1.25 -3.88 113.70 116.08 1ubm s SER 422 Ca 0.45 -0.45 -0.05 0.00 0.48 0.00 0.00 55.95 56.38 1ubm s SER 422 Cb 0.13 0.36 0.37 0.00 0.10 0.00 0.00 66.02 66.98 1ubm s SER 422 CO -0.04 -0.70 1.81 0.74 0.98 0.00 0.00 173.24 176.02 1ubm h THR 423 N 2.00 0.93 -0.24 2.02 2.02 -0.71 0.21 112.91 119.15 1ubm h THR 423 Ca -0.26 -0.27 -0.01 0.00 0.77 0.00 0.00 66.41 66.64 1ubm h THR 423 Cb 1.21 0.06 -0.01 0.00 -1.74 0.00 0.00 68.15 67.67 1ubm h THR 423 CO 0.33 0.15 0.12 0.25 0.37 0.00 0.00 175.52 176.73 1ubm h LEU 424 N 0.80 0.30 -0.40 2.58 6.46 -1.73 -2.38 115.31 120.94 1ubm h LEU 424 Ca 0.38 -0.11 0.06 0.00 -0.12 0.00 0.00 57.88 58.09 1ubm h LEU 424 Cb 0.32 -0.08 -0.05 0.00 -0.73 0.00 0.00 40.66 40.12 1ubm h LEU 424 CO -0.23 0.33 0.08 1.23 -0.62 0.00 0.00 178.44 179.22 1ubm h GLY 425 N 0.26 0.47 1.06 3.75 0.00 -1.59 0.12 103.07 107.13 1ubm h GLY 425 Ca 0.08 -0.02 -0.11 0.00 0.00 0.00 0.00 47.33 47.28 1ubm h GLY 425 CO -0.01 -0.04 -0.10 -0.09 0.00 0.00 0.00 176.54 176.30 1ubm h ARG 426 N 0.21 0.95 -0.56 4.80 2.43 -0.87 0.24 114.38 121.58 1ubm h ARG 426 Ca 0.19 -0.36 -0.06 0.00 -0.81 0.00 0.00 59.98 58.94 1ubm h ARG 426 Cb 0.23 -0.06 -0.02 0.00 -0.42 0.00 0.00 29.97 29.70 1ubm h ARG 426 CO -0.25 1.02 0.11 1.15 -1.51 0.00 0.00 179.97 180.49 1ubm h THR 427 N 0.81 1.25 -0.71 0.20 2.02 -1.00 -1.69 112.91 113.79 1ubm h THR 427 Ca 0.13 -0.93 -0.03 0.00 0.77 0.00 0.00 66.41 66.35 1ubm h THR 427 Cb 0.66 0.78 -0.03 0.00 -1.74 0.00 0.00 68.15 67.82 1ubm h THR 427 CO 0.05 0.34 0.33 0.00 0.37 0.00 0.00 175.52 176.61 1ubm h ALA 428 N 1.01 0.91 -0.50 6.16 0.00 -0.47 -2.77 119.26 123.60 1ubm h ALA 428 Ca 0.17 -0.15 -0.01 0.00 0.00 0.00 0.00 54.91 54.92 1ubm h ALA 428 Cb 0.38 -0.28 -0.02 0.00 0.00 0.00 0.00 17.79 17.87 1ubm h ALA 428 CO 0.01 0.48 0.26 0.00 0.00 0.00 0.00 179.25 180.00 1ubm h ALA 429 N 1.16 1.52 -0.80 0.00 0.00 -0.13 0.77 119.26 121.78 1ubm h ALA 429 Ca 0.24 -0.09 0.01 0.00 0.00 0.00 0.00 54.91 55.07 1ubm h ALA 429 Cb 0.13 -0.20 -0.04 0.00 0.00 0.00 0.00 17.79 17.68 1ubm h ALA 429 CO -0.03 0.40 0.53 -0.09 0.00 0.00 0.00 179.25 180.05 1ubm h ARG 430 N 0.69 1.05 -0.34 0.00 2.43 -1.04 0.49 114.38 117.66 1ubm h ARG 430 Ca 0.18 -0.06 -0.06 0.00 -0.81 0.00 0.00 59.98 59.22 1ubm h ARG 430 Cb 0.05 -0.24 -0.01 0.00 -0.42 0.00 0.00 29.97 29.35 1ubm h ARG 430 CO -0.03 0.70 -0.04 0.78 -1.51 0.00 0.00 179.97 179.87 1ubm h GLY 431 N 1.08 0.68 0.53 2.80 0.00 -1.06 -1.50 103.07 105.59 1ubm h GLY 431 Ca 0.29 -0.53 0.08 0.00 0.00 0.00 0.00 47.33 47.17 1ubm h GLY 431 CO -0.06 0.48 0.29 -2.22 0.00 0.00 0.00 176.54 175.03 1ubm h ILE 432 N 0.42 0.86 -0.46 2.60 2.04 -0.54 -0.59 117.51 121.85 1ubm h ILE 432 Ca 0.09 -0.18 -0.10 0.00 1.00 0.00 0.00 64.86 65.68 1ubm h ILE 432 Cb 0.51 0.30 -0.02 0.00 -0.74 0.00 0.00 36.82 36.87 1ubm h ILE 432 CO 0.02 0.09 -0.11 -0.08 0.00 0.00 0.00 178.15 178.08 1ubm h GLU 433 N 0.52 0.84 -0.47 2.37 4.81 -0.76 -1.92 114.58 119.97 1ubm h GLU 433 Ca 0.30 -0.29 0.00 0.00 -0.13 0.00 0.00 59.36 59.24 1ubm h GLU 433 Cb 0.29 -0.07 -0.02 0.00 0.63 0.00 0.00 28.75 29.58 1ubm h GLU 433 CO -0.24 0.91 0.30 1.15 -0.73 0.00 0.00 179.01 180.39 1ubm h THR 434 N 0.75 1.13 -0.54 0.32 2.02 -0.48 -1.37 112.91 114.75 1ubm h THR 434 Ca 0.13 -0.28 -0.06 0.00 0.77 0.00 0.00 66.41 66.97 1ubm h THR 434 Cb 0.61 0.48 -0.02 0.00 -1.74 0.00 0.00 68.15 67.48 1ubm h THR 434 CO 0.04 0.13 0.11 0.00 0.37 0.00 0.00 175.52 176.17 1ubm h ALA 435 N 1.15 0.71 -0.48 6.16 0.00 -0.73 0.49 119.26 126.56 1ubm h ALA 435 Ca 0.17 -0.23 -0.07 0.00 0.00 0.00 0.00 54.91 54.78 1ubm h ALA 435 Cb -0.04 -0.21 -0.02 0.00 0.00 0.00 0.00 17.79 17.53 1ubm h ALA 435 CO -0.03 0.43 0.04 0.28 0.00 0.00 0.00 179.25 179.97 1ubm h VAL 436 N 0.77 1.26 -0.30 0.00 2.07 -1.22 -2.41 116.25 116.42 1ubm h VAL 436 Ca 0.17 -1.00 -0.15 0.00 0.82 0.00 0.00 66.70 66.53 1ubm h VAL 436 Cb 0.37 0.96 -0.01 0.00 -1.52 0.00 0.00 31.29 31.09 1ubm h VAL 436 CO 0.01 0.35 -0.43 0.40 0.02 0.00 0.00 177.57 177.92 1ubm h ILE 437 N 0.69 1.29 -0.99 4.57 2.04 -1.09 -0.55 117.51 123.46 1ubm h ILE 437 Ca 0.14 -1.61 0.06 0.00 1.00 0.00 0.00 64.86 64.45 1ubm h ILE 437 Cb 0.45 1.51 -0.07 0.00 -0.74 0.00 0.00 36.82 37.98 1ubm h ILE 437 CO 0.02 0.52 0.64 0.00 0.00 0.00 0.00 178.15 179.33 1ubm h ALA 438 N 0.90 1.38 -0.21 1.87 0.00 -0.75 0.17 119.26 122.61 1ubm h ALA 438 Ca 0.04 -0.02 -0.17 0.00 0.00 0.00 0.00 54.91 54.76 1ubm h ALA 438 Cb 0.99 -0.31 0.00 0.00 0.00 0.00 0.00 17.79 18.48 1ubm h ALA 438 CO 0.09 0.44 -0.53 1.49 0.00 0.00 0.00 179.25 180.74 1ubm h GLU 439 N 1.17 0.74 0.00 0.00 4.81 -1.05 -3.20 114.58 117.05 1ubm h GLU 439 Ca 0.43 -0.51 -0.07 0.00 -0.13 0.00 0.00 59.36 59.08 1ubm h GLU 439 Cb 0.16 0.08 -0.01 0.00 0.63 0.00 0.00 28.75 29.61 1ubm h GLU 439 CO -0.17 1.13 -0.36 -0.92 -0.73 0.00 0.00 179.01 177.96 1ubm h TYR 440 N 0.46 0.00 -0.95 0.92 3.20 -0.14 0.17 116.97 120.63 1ubm h TYR 440 Ca -0.01 0.00 0.19 0.00 3.14 0.00 0.00 58.73 62.05 1ubm h TYR 440 Cb 1.15 0.00 -0.08 0.00 1.54 0.00 0.00 36.73 39.33 1ubm h TYR 440 CO 0.09 0.36 0.61 0.28 -1.64 0.00 0.00 178.16 177.85 1ubm h VAL 441 N 0.00 0.72 -0.07 1.81 2.07 -0.69 0.08 116.25 120.17 1ubm h VAL 441 Ca -0.00 -0.21 -0.11 0.00 0.82 0.00 0.00 66.70 67.19 1ubm h VAL 441 Cb 0.69 0.05 -0.01 0.00 -1.52 0.00 0.00 31.29 30.50 1ubm h VAL 441 CO 0.05 0.11 -0.46 1.23 0.02 0.00 0.00 177.57 178.51 1ubm h GLY 442 N 0.61 0.19 0.82 2.17 0.00 -1.04 0.12 103.07 105.93 1ubm h GLY 442 Ca 0.51 -0.19 -0.08 0.00 0.00 0.00 0.00 47.33 47.57 1ubm h GLY 442 CO -0.27 0.17 -0.20 -2.08 0.00 0.00 0.00 176.54 174.16 1ubm h VAL 443 N 0.14 1.34 -0.71 4.60 2.07 -0.97 -2.05 116.25 120.66 1ubm h VAL 443 Ca 0.01 -1.38 -0.01 0.00 0.82 0.00 0.00 66.70 66.13 1ubm h VAL 443 Cb 0.88 1.81 -0.03 0.00 -1.52 0.00 0.00 31.29 32.42 1ubm h VAL 443 CO 0.07 0.42 0.39 0.24 0.02 0.00 0.00 177.57 178.71 1ubm h MET 444 N 0.12 0.99 -0.66 1.57 2.86 -0.90 -1.33 114.93 117.58 1ubm h MET 444 Ca 0.03 -0.11 0.08 0.00 -2.06 0.00 0.00 59.70 57.64 1ubm h MET 444 Cb 0.75 -0.19 -0.07 0.00 0.06 0.00 0.00 31.60 32.15 1ubm h MET 444 CO 0.05 0.73 0.32 1.25 1.06 0.00 0.00 176.91 180.32 1ubm h LEU 445 N 0.97 0.41 -0.55 1.22 6.46 -0.88 0.41 115.31 123.36 1ubm h LEU 445 Ca 0.25 0.06 -0.12 0.00 -0.12 0.00 0.00 57.88 57.94 1ubm h LEU 445 Cb 0.03 -0.01 -0.01 0.00 -0.73 0.00 0.00 40.66 39.93 1ubm h LEU 445 CO -0.04 0.25 -0.18 -0.61 -0.62 0.00 0.00 178.44 177.23 1ubm h GLN 446 N 0.56 0.98 -0.51 1.25 5.75 -1.11 -0.59 115.11 121.43 1ubm h GLN 446 Ca 0.32 -0.40 -0.06 0.00 -0.15 0.00 0.00 58.65 58.36 1ubm h GLN 446 Cb 0.32 -0.04 -0.02 0.00 1.07 0.00 0.00 27.48 28.80 1ubm h GLN 446 CO -0.25 1.07 0.08 0.93 -2.65 0.00 0.00 178.83 178.01 1ubm h GLU 447 N 0.85 0.80 0.20 1.69 5.08 -0.50 -0.09 114.58 122.61 1ubm h GLU 447 Ca 0.12 -0.18 -0.01 0.00 -1.00 0.00 0.00 59.36 58.29 1ubm h GLU 447 Cb 0.75 -0.11 0.00 0.00 0.50 0.00 0.00 28.75 29.89 1ubm h GLU 447 CO 0.06 0.75 -0.09 -0.92 -1.00 0.00 0.00 179.01 177.81 1ubm h TYR 448 N 0.76 -0.25 -0.65 4.33 -0.00 -0.72 -1.32 116.97 119.12 1ubm h TYR 448 Ca 0.16 -0.01 0.03 0.00 -0.00 0.00 0.00 58.73 58.91 1ubm h TYR 448 Cb 0.35 0.08 -0.04 0.00 -0.00 0.00 0.00 36.73 37.12 1ubm h TYR 448 CO 0.02 -0.13 0.40 0.87 -0.00 0.00 0.00 178.16 179.32 1ubm h LYS 449 N -0.29 0.77 -0.92 1.82 1.57 -0.72 -1.61 116.57 117.19 1ubm h LYS 449 Ca -0.03 -0.05 0.06 0.00 -1.87 0.00 0.00 60.65 58.77 1ubm h LYS 449 Cb 0.23 -0.17 -0.06 0.00 0.08 0.00 0.00 32.23 32.30 1ubm h LYS 449 CO 0.04 0.51 0.58 -0.44 -0.57 0.00 0.00 179.45 179.58 1ubm h ASP 450 N 0.80 0.93 -0.29 0.86 3.45 -0.91 -1.45 116.42 119.80 1ubm h ASP 450 Ca 0.26 0.01 -0.17 0.00 0.43 0.00 0.00 57.03 57.56 1ubm h ASP 450 Cb 0.01 -0.18 -0.00 0.00 -0.56 0.00 0.00 39.33 38.60 1ubm h ASP 450 CO -0.10 0.59 -0.49 -1.13 -1.57 0.00 0.00 179.24 176.55 1ubm h ASN 451 N 1.06 0.93 -0.51 6.45 -0.00 -0.34 -2.18 115.58 120.99 1ubm h ASN 451 Ca 0.40 -0.52 0.00 0.00 -0.00 0.00 0.00 56.30 56.18 1ubm h ASN 451 Cb 0.16 -0.27 -0.03 0.00 -0.00 0.00 0.00 38.32 38.19 1ubm h ASN 451 CO -0.17 1.27 0.34 0.40 -0.00 0.00 0.00 177.43 179.27 1ubm h ILE 452 N 0.61 1.13 0.00 2.57 2.04 -1.14 -2.12 117.51 120.61 1ubm h ILE 452 Ca 0.02 -0.24 -0.00 0.00 1.00 0.00 0.00 64.86 65.64 1ubm h ILE 452 Cb 1.09 0.38 -0.00 0.00 -0.74 0.00 0.00 36.82 37.55 1ubm h ILE 452 CO 0.11 0.13 -0.01 0.00 0.00 0.00 0.00 178.15 178.37 1ubm h ALA 453 N 1.19 1.07 -0.00 1.87 0.00 -1.09 0.19 119.26 122.49 1ubm h ALA 453 Ca 0.19 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.09 1ubm h ALA 453 Cb -0.08 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.71 1ubm h ALA 453 CO -0.04 0.02 -0.01 1.63 0.00 0.00 0.00 179.25 180.85 1ubm n LYS 454 N -3.20 0.05 0.00 0.00 5.02 -0.82 -4.89 118.16 114.31 1ubm n LYS 454 Ca -0.02 -0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.27 1ubm n LYS 454 Cb 0.14 -1.50 0.00 0.00 -0.02 0.00 0.00 35.03 33.65 1ubm n LYS 454 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1ubm n GLY 455 N 1.48 1.01 3.55 0.72 0.00 0.68 -5.05 105.19 107.57 1ubm n GLY 455 Ca 0.08 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.67 1ubm n GLY 455 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1ubm s ASP 456 N -2.04 6.46 -0.07 1.61 2.15 -1.06 -4.86 116.67 118.87 1ubm s ASP 456 Ca 0.00 0.01 0.11 0.00 0.43 0.00 0.00 52.55 53.10 1ubm s ASP 456 Cb 0.00 -2.42 0.22 0.00 -0.30 0.00 0.00 42.92 40.42 1ubm s ASP 456 CO 0.00 -0.99 1.15 -0.46 -0.17 0.00 0.00 175.17 174.70 1ubm n ASN 457 N 6.97 2.54 -4.76 -0.34 2.04 -1.26 -4.18 115.26 116.27 1ubm n ASN 457 Ca 0.04 -2.52 -0.39 0.00 -0.44 0.00 0.00 54.58 51.28 1ubm n ASN 457 Cb 0.48 -0.26 -0.06 0.00 -2.53 0.00 0.00 39.78 37.41 1ubm n ASN 457 CO 0.00 0.00 0.00 -0.69 -0.44 0.00 0.00 177.26 176.13 1ubm s VAL 458 N -1.91 4.96 0.00 3.53 1.01 -1.26 -4.97 120.40 121.75 1ubm s VAL 458 Ca 0.21 1.18 0.00 0.00 0.00 0.00 0.00 61.98 63.37 1ubm s VAL 458 Cb 0.16 -3.90 0.00 0.00 0.00 0.00 0.00 36.38 32.64 1ubm s VAL 458 CO 0.05 0.42 0.07 2.30 0.00 0.00 0.00 175.10 177.93 1ubm n ILE 459 N 2.79 0.00 -3.83 2.22 -5.35 -1.26 -4.16 119.36 109.77 1ubm n ILE 459 Ca -0.07 -0.29 -0.13 0.00 -0.27 0.00 0.00 62.75 61.99 1ubm n ILE 459 Cb 0.51 1.09 -0.14 0.00 -1.74 0.00 0.00 39.64 39.37 1ubm n ILE 459 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 1ubm s ALA 461 N 0.21 3.02 0.62 0.00 0.00 -0.04 -4.89 121.76 120.67 1ubm s ALA 461 Ca -0.01 -1.16 -0.14 0.00 0.00 0.00 0.00 51.96 50.64 1ubm s ALA 461 Cb -0.02 -1.00 -0.03 0.00 0.00 0.00 0.00 23.12 22.07 1ubm s ALA 461 CO -0.01 0.64 1.05 -1.25 0.00 0.00 0.00 175.76 176.19 1ubm s PRO 462 N -2.01 3.30 0.24 0.00 0.04 -1.26 -4.54 135.00 130.78 1ubm s PRO 462 Ca 0.21 1.04 -0.19 0.00 0.04 0.00 0.00 61.00 62.10 1ubm s PRO 462 Cb -0.11 -2.04 0.02 0.00 0.04 0.00 0.00 34.50 32.42 1ubm s PRO 462 CO 0.13 -0.81 0.62 1.67 0.04 0.00 0.00 177.00 178.65 1ubm s TRP 463 N -2.74 -0.13 -0.01 0.56 1.48 -1.26 -4.95 118.94 111.89 1ubm s TRP 463 Ca 0.60 -0.25 0.04 0.00 -1.06 0.00 0.00 56.10 55.42 1ubm s TRP 463 Cb -0.14 0.54 -0.01 0.00 -1.16 0.00 0.00 33.47 32.70 1ubm s TRP 463 CO 0.44 -1.08 -0.12 -1.21 -4.06 0.00 0.00 176.95 170.92 1ubm s GLU 464 N -3.90 0.92 -0.19 3.25 2.02 -1.26 -5.12 118.70 114.42 1ubm s GLU 464 Ca 0.11 -0.43 -0.29 0.00 0.02 0.00 0.00 54.97 54.38 1ubm s GLU 464 Cb -0.03 -0.89 -0.00 0.00 0.10 0.00 0.00 34.13 33.30 1ubm s GLU 464 CO 0.02 0.24 1.13 1.41 0.02 0.00 0.00 175.26 178.09 1ubm s MET 465 N -0.32 4.26 0.60 1.61 -2.45 -1.26 -4.87 119.30 116.87 1ubm s MET 465 Ca 0.04 1.50 -0.15 0.00 -1.25 0.00 0.00 55.69 55.82 1ubm s MET 465 Cb -0.05 -3.68 -0.03 0.00 1.25 0.00 0.00 34.83 32.32 1ubm s MET 465 CO -0.00 -0.63 1.06 -1.25 1.05 0.00 0.00 175.02 175.24 1ubm s PRO 466 N 3.19 3.30 0.15 4.11 0.04 -1.26 -4.94 135.00 139.59 1ubm s PRO 466 Ca 0.49 1.18 0.03 0.00 0.04 0.00 0.00 61.00 62.74 1ubm s PRO 466 Cb -0.18 -2.03 -0.07 0.00 0.04 0.00 0.00 34.50 32.25 1ubm s PRO 466 CO 0.11 -0.82 1.33 0.87 0.04 0.00 0.00 177.00 178.53 1ubm h LYS 467 N 0.37 0.16 -3.98 4.56 1.79 -1.93 -3.34 116.57 114.19 1ubm h LYS 467 Ca -0.47 -0.20 -0.33 0.00 -2.18 0.00 0.00 60.65 57.48 1ubm h LYS 467 Cb 1.22 0.06 -0.31 0.00 -1.58 0.00 0.00 32.23 31.62 1ubm h LYS 467 CO 0.57 0.98 -0.75 -0.65 -1.08 0.00 0.00 179.45 178.53 1ubm s GLN 468 N -3.05 0.36 -0.09 3.15 -0.21 -1.26 -0.55 119.66 118.01 1ubm s GLN 468 Ca -0.02 -0.06 -0.32 0.00 0.02 0.00 0.00 55.36 54.98 1ubm s GLN 468 Cb 0.10 -0.42 0.12 0.00 1.00 0.00 0.00 33.01 33.81 1ubm s GLN 468 CO 0.83 -0.01 1.11 0.00 -2.12 0.00 0.00 175.29 175.10 1ubm s ALA 469 N 0.41 -1.99 -0.02 6.09 0.00 -0.82 -4.97 121.76 120.46 1ubm s ALA 469 Ca -0.04 1.22 0.07 0.00 0.00 0.00 0.00 51.96 53.21 1ubm s ALA 469 Cb -0.07 0.15 -0.02 0.00 0.00 0.00 0.00 23.12 23.18 1ubm s ALA 469 CO -0.01 -0.71 -0.23 -1.21 0.00 0.00 0.00 175.76 173.60 1ubm s GLU 470 N -2.69 1.92 0.09 0.00 2.02 -1.26 -0.49 118.70 118.29 1ubm s GLU 470 Ca 0.09 -0.83 -0.09 0.00 0.02 0.00 0.00 54.97 54.16 1ubm s GLU 470 Cb -0.00 -1.84 -0.00 0.00 0.10 0.00 0.00 34.13 32.38 1ubm s GLU 470 CO -0.05 0.49 0.19 0.20 0.02 0.00 0.00 175.26 176.10 1ubm s GLY 471 N -0.51 0.09 -0.06 -1.39 0.00 -0.15 -4.34 107.32 100.97 1ubm s GLY 471 Ca 0.08 -0.61 -0.07 0.00 0.00 0.00 0.00 44.72 44.12 1ubm s GLY 471 CO -0.01 -0.80 0.20 0.54 0.00 0.00 0.00 173.10 173.04 1ubm s VAL 472 N -3.80 0.01 -0.05 1.40 0.11 -1.26 -1.04 120.40 115.79 1ubm s VAL 472 Ca 0.04 -0.12 0.04 0.00 -2.93 0.00 0.00 61.98 59.02 1ubm s VAL 472 Cb 0.05 -0.32 -0.00 0.00 -1.53 0.00 0.00 36.38 34.57 1ubm s VAL 472 CO -0.11 -0.07 -0.18 -0.83 -3.33 0.00 0.00 175.10 170.59 1ubm s GLY 473 N -0.17 0.95 -0.11 6.54 0.00 0.07 -4.30 107.32 110.29 1ubm s GLY 473 Ca -0.03 -0.71 0.03 0.00 0.00 0.00 0.00 44.72 44.01 1ubm s GLY 473 CO 0.01 -0.36 -0.21 -1.36 0.00 0.00 0.00 173.10 171.18 1ubm s PHE 474 N 0.05 2.63 -0.04 1.90 0.40 -1.26 -1.59 117.98 120.07 1ubm s PHE 474 Ca -0.05 -0.98 0.03 0.00 -0.60 0.00 0.00 56.93 55.33 1ubm s PHE 474 Cb -0.12 -1.75 0.01 0.00 0.51 0.00 0.00 43.02 41.67 1ubm s PHE 474 CO 0.02 -0.39 -0.11 0.08 0.70 0.00 0.00 175.22 175.53 1ubm s VAL 475 N 0.38 0.96 -0.56 -0.44 1.01 -0.36 -4.97 120.40 116.42 1ubm s VAL 475 Ca -0.16 -0.43 -0.19 0.00 0.00 0.00 0.00 61.98 61.20 1ubm s VAL 475 Cb -0.17 -0.86 0.09 0.00 0.00 0.00 0.00 36.38 35.44 1ubm s VAL 475 CO 0.07 0.30 0.68 0.21 0.00 0.00 0.00 175.10 176.36 1ubm s ASN 476 N 0.33 6.19 0.81 3.32 3.84 -1.21 -0.31 114.94 127.90 1ubm s ASN 476 Ca -0.06 -1.26 -0.11 0.00 0.21 0.00 0.00 52.86 51.64 1ubm s ASN 476 Cb -0.11 -2.30 0.10 0.00 -0.55 0.00 0.00 41.25 38.39 1ubm s ASN 476 CO 0.01 -1.05 1.15 0.00 -2.79 0.00 0.00 177.10 174.43 1ubm s ALA 477 N 2.68 2.75 0.59 1.71 0.00 0.06 -4.88 121.76 124.67 1ubm s ALA 477 Ca 0.13 -0.86 0.29 0.00 0.00 0.00 0.00 51.96 51.51 1ubm s ALA 477 Cb -0.22 -2.79 1.53 0.00 0.00 0.00 0.00 23.12 21.63 1ubm s ALA 477 CO 0.08 -1.71 1.96 -1.35 0.00 0.00 0.00 175.76 174.74 1ubm h PRO 478 N -1.02 0.00 -0.14 0.00 0.11 -1.96 -1.04 132.00 127.95 1ubm h PRO 478 Ca -0.45 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.66 1ubm h PRO 478 Cb 1.31 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.42 1ubm h PRO 478 CO 0.58 0.00 0.00 0.54 -0.21 0.00 0.00 178.00 178.91 1ubm n ARG 479 N -3.75 2.04 0.00 1.05 1.74 -1.26 -4.21 116.66 112.27 1ubm n ARG 479 Ca 0.06 -1.88 0.00 0.00 -0.77 0.00 0.00 57.85 55.26 1ubm n ARG 479 Cb 0.56 -1.42 0.00 0.00 -1.02 0.00 0.00 32.46 30.59 1ubm n ARG 479 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1ubm n GLY 480 N 1.20 0.53 3.60 -0.13 0.00 -0.40 -2.55 105.19 107.46 1ubm n GLY 480 Ca 0.14 -2.04 -0.43 0.00 0.00 0.00 0.00 46.02 43.69 1ubm n GLY 480 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1ubm s GLY 481 N 0.00 1.10 -0.16 -0.02 0.00 -1.26 -0.76 107.32 106.22 1ubm s GLY 481 Ca 0.00 -0.07 -0.06 0.00 0.00 0.00 0.00 44.72 44.59 1ubm s GLY 481 CO 0.00 2.81 0.05 -2.27 0.00 0.00 0.00 173.10 173.69 1ubm s LEU 482 N 5.47 3.78 -0.01 0.66 2.96 0.58 -3.34 118.68 128.78 1ubm s LEU 482 Ca 0.63 0.11 0.01 0.00 -0.22 0.00 0.00 54.13 54.66 1ubm s LEU 482 Cb -0.15 -1.93 0.01 0.00 0.50 0.00 0.00 46.19 44.61 1ubm s LEU 482 CO 0.32 0.23 -0.03 -0.94 -1.32 0.00 0.00 176.35 174.61 1ubm s SER 483 N 0.01 0.53 -0.05 3.68 1.04 -0.01 -1.22 113.70 117.67 1ubm s SER 483 Ca 0.05 -0.07 0.04 0.00 0.48 0.00 0.00 55.95 56.46 1ubm s SER 483 Cb -0.12 -0.14 -0.02 0.00 0.10 0.00 0.00 66.02 65.84 1ubm s SER 483 CO 0.01 0.01 -0.18 -1.00 0.98 0.00 0.00 173.24 173.06 1ubm s HIS 484 N 0.26 2.60 -0.09 5.02 3.76 -0.62 -1.01 115.29 125.20 1ubm s HIS 484 Ca -0.02 -0.36 0.00 0.00 -0.15 0.00 0.00 55.06 54.53 1ubm s HIS 484 Cb -0.06 -1.62 0.02 0.00 1.11 0.00 0.00 32.58 32.03 1ubm s HIS 484 CO -0.00 0.03 -0.07 -1.58 -0.85 0.00 0.00 174.74 172.27 1ubm s TRP 485 N -0.49 1.27 0.05 1.40 0.52 -0.09 -0.75 118.94 120.84 1ubm s TRP 485 Ca 0.06 -0.56 0.08 0.00 0.02 0.00 0.00 56.10 55.71 1ubm s TRP 485 Cb -0.12 -1.07 -0.03 0.00 -1.15 0.00 0.00 33.47 31.10 1ubm s TRP 485 CO 0.01 -0.41 -0.22 -1.50 0.02 0.00 0.00 176.95 174.86 1ubm s ILE 486 N 1.47 1.77 -0.22 2.03 2.07 -0.21 -0.53 121.20 127.59 1ubm s ILE 486 Ca -0.00 -1.28 0.00 0.00 -1.41 0.00 0.00 60.65 57.96 1ubm s ILE 486 Cb -0.13 -1.54 0.03 0.00 0.13 0.00 0.00 42.46 40.94 1ubm s ILE 486 CO -0.05 0.21 -0.13 -0.13 -1.91 0.00 0.00 174.94 172.93 1ubm s ARG 487 N -1.27 2.80 -0.15 3.50 1.81 -0.36 -0.97 118.95 124.31 1ubm s ARG 487 Ca 0.08 -0.97 -0.17 0.00 -1.72 0.00 0.00 55.73 52.95 1ubm s ARG 487 Cb -0.09 -2.79 -0.04 0.00 -0.45 0.00 0.00 34.95 31.58 1ubm s ARG 487 CO 0.02 -0.34 0.41 0.42 -0.68 0.00 0.00 175.30 175.13 1ubm s ILE 488 N 1.27 5.22 -0.04 1.52 1.01 0.36 -0.02 121.20 130.52 1ubm s ILE 488 Ca 0.01 0.80 0.00 0.00 0.00 0.00 0.00 60.65 61.46 1ubm s ILE 488 Cb -0.16 -3.75 0.03 0.00 0.01 0.00 0.00 42.46 38.59 1ubm s ILE 488 CO -0.08 0.32 -0.01 -0.70 0.00 0.00 0.00 174.94 174.47 1ubm s GLU 489 N 0.74 0.46 -1.56 2.79 2.56 -0.01 -1.94 118.70 121.74 1ubm s GLU 489 Ca 0.22 0.03 -0.00 0.00 0.00 0.00 0.00 54.97 55.22 1ubm s GLU 489 Cb -0.14 -0.60 0.00 0.00 2.00 0.00 0.00 34.13 35.38 1ubm s GLU 489 CO 0.08 -0.13 0.03 -3.47 -0.56 0.00 0.00 175.26 171.21 1ubm n ASP 490 N 4.17 -5.33 0.00 -1.70 4.64 0.28 -1.41 116.55 117.20 1ubm n ASP 490 Ca -0.25 0.03 0.00 0.00 -1.38 0.00 0.00 54.79 53.19 1ubm n ASP 490 Cb 0.50 -4.45 0.00 0.00 -1.04 0.00 0.00 41.12 36.13 1ubm n ASP 490 CO 0.00 0.00 0.00 0.61 -0.82 0.00 0.00 177.20 176.99 1ubm n GLY 491 N -0.98 0.56 3.61 0.27 0.00 0.29 -4.98 105.19 103.97 1ubm n GLY 491 Ca -0.21 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.53 1ubm n GLY 491 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1ubm s LYS 492 N -0.38 1.97 -0.42 1.61 -0.14 -0.50 -4.49 119.74 117.40 1ubm s LYS 492 Ca 0.00 -2.19 -0.29 0.00 -1.36 0.00 0.00 55.97 52.13 1ubm s LYS 492 Cb 0.00 -1.22 0.01 0.00 -1.68 0.00 0.00 37.83 34.94 1ubm s LYS 492 CO 0.00 -0.28 1.34 0.42 -0.76 0.00 0.00 175.35 176.07 1ubm s ILE 493 N -2.99 3.99 -0.04 2.17 1.01 0.24 -0.83 121.20 124.75 1ubm s ILE 493 Ca 0.23 1.02 -0.12 0.00 0.00 0.00 0.00 60.65 61.78 1ubm s ILE 493 Cb 0.05 -4.30 -0.31 0.00 0.01 0.00 0.00 42.46 37.91 1ubm s ILE 493 CO 0.12 -0.80 0.71 1.23 0.00 0.00 0.00 174.94 176.19 1ubm h GLY 494 N 11.87 0.47 -5.05 6.18 0.00 -0.70 0.11 103.07 115.93 1ubm h GLY 494 Ca -0.26 -1.19 -0.15 0.00 0.00 0.00 0.00 47.33 45.73 1ubm h GLY 494 CO 1.09 1.04 -0.41 0.21 0.00 0.00 0.00 176.54 178.48 1ubm s ASN 495 N -7.32 -0.18 -0.07 0.19 3.84 -0.81 -4.81 114.94 105.78 1ubm s ASN 495 Ca -0.15 0.26 -0.03 0.00 0.21 0.00 0.00 52.86 53.15 1ubm s ASN 495 Cb 0.05 0.40 0.04 0.00 -0.55 0.00 0.00 41.25 41.19 1ubm s ASN 495 CO 0.86 -0.22 0.13 0.12 -2.79 0.00 0.00 177.10 175.19 1ubm s PHE 496 N -0.51 -0.11 -0.05 0.43 2.19 -1.26 -1.23 117.98 117.44 1ubm s PHE 496 Ca -0.06 0.48 0.03 0.00 0.33 0.00 0.00 56.93 57.71 1ubm s PHE 496 Cb -0.04 -0.28 0.01 0.00 -1.31 0.00 0.00 43.02 41.40 1ubm s PHE 496 CO 0.01 -0.22 -0.14 -0.65 1.83 0.00 0.00 175.22 176.05 1ubm s GLN 497 N 2.00 1.63 -0.17 10.12 -1.52 0.31 -4.73 119.66 127.31 1ubm s GLN 497 Ca 0.01 -0.47 -0.07 0.00 -1.95 0.00 0.00 55.36 52.88 1ubm s GLN 497 Cb -0.12 -1.38 -0.04 0.00 -0.22 0.00 0.00 33.01 31.25 1ubm s GLN 497 CO -0.05 0.12 0.07 -0.51 -0.25 0.00 0.00 175.29 174.66 1ubm s LEU 498 N 0.37 3.86 -0.24 2.90 1.02 -1.26 -0.91 118.68 124.42 1ubm s LEU 498 Ca -0.09 0.12 0.02 0.00 0.02 0.00 0.00 54.13 54.19 1ubm s LEU 498 Cb -0.13 -1.97 0.05 0.00 0.02 0.00 0.00 46.19 44.16 1ubm s LEU 498 CO 0.03 0.20 -0.11 -0.69 0.02 0.00 0.00 176.35 175.80 1ubm s VAL 499 N 0.21 1.94 0.10 -1.59 1.01 -0.18 -5.03 120.40 116.87 1ubm s VAL 499 Ca 0.05 -1.37 0.07 0.00 0.00 0.00 0.00 61.98 60.73 1ubm s VAL 499 Cb -0.12 -2.04 -0.04 0.00 0.00 0.00 0.00 36.38 34.18 1ubm s VAL 499 CO 0.00 0.06 -0.09 -0.69 0.00 0.00 0.00 175.10 174.38 1ubm s VAL 500 N 1.23 3.41 0.21 2.92 1.01 -1.26 -0.83 120.40 127.09 1ubm s VAL 500 Ca -0.05 -1.24 -0.12 0.00 0.00 0.00 0.00 61.98 60.56 1ubm s VAL 500 Cb -0.18 -2.60 0.22 0.00 0.00 0.00 0.00 36.38 33.82 1ubm s VAL 500 CO -0.07 0.12 1.64 -0.65 0.00 0.00 0.00 175.10 176.14 1ubm h PRO 501 N 3.62 0.04 0.00 2.72 0.10 -1.82 0.11 132.00 136.77 1ubm h PRO 501 Ca -0.49 -0.00 -0.00 0.00 0.10 0.00 0.00 66.00 65.61 1ubm h PRO 501 Cb 1.17 -0.01 -0.00 0.00 0.10 0.00 0.00 31.00 32.26 1ubm h PRO 501 CO 0.53 0.02 -0.00 0.77 0.10 0.00 0.00 178.00 179.42 1ubm h SER 502 N 0.04 0.00 -0.10 -2.05 0.02 -1.84 -1.81 113.55 107.80 1ubm h SER 502 Ca 0.31 0.00 -0.00 0.00 -0.84 0.00 0.00 61.79 61.26 1ubm h SER 502 Cb 0.50 0.00 -0.00 0.00 0.14 0.00 0.00 62.40 63.03 1ubm h SER 502 CO -0.61 0.00 0.05 0.74 -1.14 0.00 0.00 176.83 175.87 1ubm h THR 503 N 0.00 1.12 -0.12 -2.27 2.02 -0.99 0.42 112.91 113.09 1ubm h THR 503 Ca -0.00 -0.34 0.03 0.00 0.77 0.00 0.00 66.41 66.87 1ubm h THR 503 Cb 0.34 1.16 -0.03 0.00 -1.74 0.00 0.00 68.15 67.88 1ubm h THR 503 CO 0.00 0.10 -0.07 -0.50 0.37 0.00 0.00 175.52 175.43 1ubm h TRP 504 N 0.04 -0.15 0.23 3.16 4.06 -1.15 -0.36 115.95 121.77 1ubm h TRP 504 Ca 0.04 0.01 -0.34 0.00 2.06 0.00 0.00 58.89 60.66 1ubm h TRP 504 Cb 0.12 0.09 0.03 0.00 -1.00 0.00 0.00 29.16 28.40 1ubm h TRP 504 CO -0.03 -0.10 -1.52 1.15 -3.56 0.00 0.00 178.44 174.37 1ubm h THR 505 N -0.06 1.22 -0.02 1.49 2.02 -1.30 -3.39 112.91 112.88 1ubm h THR 505 Ca 0.07 -2.70 0.00 0.00 0.77 0.00 0.00 66.41 64.55 1ubm h THR 505 Cb 0.16 2.97 0.00 0.00 -1.74 0.00 0.00 68.15 69.54 1ubm h THR 505 CO -0.16 0.83 0.00 0.18 0.37 0.00 0.00 175.52 176.74 1ubm n LEU 506 N -3.67 1.61 -4.50 2.58 7.99 0.15 -1.67 117.00 119.49 1ubm n LEU 506 Ca -0.18 -1.05 -0.28 0.00 -0.01 0.00 0.00 56.01 54.49 1ubm n LEU 506 Cb 1.09 -0.01 0.25 0.00 -0.11 0.00 0.00 43.42 44.64 1ubm n LEU 506 CO 0.58 0.34 0.52 -0.83 -1.51 0.00 0.00 177.39 176.49 1ubm s GLY 507 N -0.58 1.53 0.00 -0.72 0.00 -0.15 -4.81 107.32 102.60 1ubm s GLY 507 Ca 0.08 -0.26 0.00 0.00 0.00 0.00 0.00 44.72 44.54 1ubm s GLY 507 CO 0.08 0.49 0.00 -1.55 0.00 0.00 0.00 173.10 172.12 1ubm n PRO 508 N -4.90 0.38 -1.32 2.90 -0.04 -1.26 -4.53 135.00 126.23 1ubm n PRO 508 Ca 0.03 0.00 -0.34 0.00 -0.04 0.00 0.00 63.50 63.16 1ubm n PRO 508 Cb 0.55 0.00 0.11 0.00 -0.04 0.00 0.00 33.50 34.12 1ubm n PRO 508 CO 0.00 0.00 0.00 1.03 -0.04 0.00 0.00 175.50 176.49 1ubm s ARG 509 N -2.37 1.96 0.43 0.54 0.52 -1.26 -4.34 118.95 114.43 1ubm s ARG 509 Ca 0.00 1.74 0.04 0.00 -0.52 0.00 0.00 55.73 57.00 1ubm s ARG 509 Cb 0.00 -1.81 0.08 0.00 0.52 0.00 0.00 34.95 33.73 1ubm s ARG 509 CO 0.00 -1.97 0.59 0.00 0.02 0.00 0.00 175.30 173.94 1ubm n ASP 511 N -2.68 0.00 -1.13 0.00 3.85 -1.26 -0.90 116.55 114.43 1ubm n ASP 511 Ca 0.11 -0.70 0.11 0.00 -0.71 0.00 0.00 54.79 53.60 1ubm n ASP 511 Cb 0.40 -0.05 0.23 0.00 -1.35 0.00 0.00 41.12 40.36 1ubm n ASP 511 CO 0.00 0.00 0.00 0.29 -1.01 0.00 0.00 177.20 176.48 1ubm n LYS 512 N -1.05 2.51 -2.24 0.11 5.02 -1.26 -4.95 118.16 116.31 1ubm n LYS 512 Ca 0.19 -2.32 -0.20 0.00 -2.02 0.00 0.00 58.31 53.95 1ubm n LYS 512 Cb 0.11 -1.49 -0.03 0.00 -0.02 0.00 0.00 35.03 33.60 1ubm n LYS 512 CO 0.00 0.00 0.00 0.09 -0.52 0.00 0.00 177.40 176.97 1ubm n ASN 513 N 1.41 -5.68 -4.69 4.39 5.03 -0.08 -4.96 115.26 110.69 1ubm n ASN 513 Ca 0.19 0.10 -0.42 0.00 0.87 0.00 0.00 54.58 55.32 1ubm n ASN 513 Cb 0.58 -4.79 -0.03 0.00 -1.02 0.00 0.00 39.78 34.53 1ubm n ASN 513 CO 0.00 0.00 0.00 -0.54 -1.83 0.00 0.00 177.26 174.89 1ubm s LYS 514 N -4.77 4.42 0.47 3.52 1.02 -1.26 -4.82 119.74 118.32 1ubm s LYS 514 Ca 0.00 1.56 -0.24 0.00 0.02 0.00 0.00 55.97 57.31 1ubm s LYS 514 Cb 0.00 -3.51 -0.07 0.00 -0.52 0.00 0.00 37.83 33.73 1ubm s LYS 514 CO 0.00 -0.32 1.30 -0.51 -0.92 0.00 0.00 175.35 174.90 1ubm s LEU 515 N 1.80 4.03 0.87 3.17 1.02 -1.26 -3.27 118.68 125.04 1ubm s LEU 515 Ca 0.53 2.62 -0.12 0.00 0.02 0.00 0.00 54.13 57.19 1ubm s LEU 515 Cb -0.23 -4.12 0.11 0.00 0.02 0.00 0.00 46.19 41.97 1ubm s LEU 515 CO 0.23 -1.14 1.10 -0.94 0.02 0.00 0.00 176.35 175.62 1ubm s SER 516 N -0.95 3.82 0.21 2.29 1.04 -1.26 -4.68 113.70 114.16 1ubm s SER 516 Ca 0.64 1.27 -0.10 0.00 0.48 0.00 0.00 55.95 58.24 1ubm s SER 516 Cb -0.37 -1.95 0.29 0.00 0.10 0.00 0.00 66.02 64.10 1ubm s SER 516 CO 0.45 -2.39 1.72 -0.65 0.98 0.00 0.00 173.24 173.36 1ubm h PRO 517 N -1.38 0.31 -0.66 4.02 0.11 -1.78 0.71 132.00 133.34 1ubm h PRO 517 Ca -0.49 -0.02 -0.08 0.00 0.11 0.00 0.00 66.00 65.52 1ubm h PRO 517 Cb 1.29 -0.07 -0.03 0.00 0.11 0.00 0.00 31.00 32.31 1ubm h PRO 517 CO 0.58 0.21 0.11 -0.24 -0.21 0.00 0.00 178.00 178.45 1ubm h VAL 518 N 0.32 1.26 -0.12 3.15 3.04 -1.66 -0.42 116.25 121.82 1ubm h VAL 518 Ca 0.31 -1.03 -0.03 0.00 -1.01 0.00 0.00 66.70 64.95 1ubm h VAL 518 Cb 0.43 0.64 -0.00 0.00 -2.01 0.00 0.00 31.29 30.35 1ubm h VAL 518 CO -0.36 0.39 -0.02 -0.33 -1.01 0.00 0.00 177.57 176.24 1ubm h GLU 519 N 1.02 0.23 -0.56 4.17 5.08 -1.69 -2.58 114.58 120.24 1ubm h GLU 519 Ca 0.20 -0.08 -0.04 0.00 -1.00 0.00 0.00 59.36 58.44 1ubm h GLU 519 Cb 0.43 -0.02 -0.03 0.00 0.50 0.00 0.00 28.75 29.64 1ubm h GLU 519 CO 0.01 0.51 0.19 0.00 -1.00 0.00 0.00 179.01 178.72 1ubm h ALA 520 N 0.71 1.27 0.00 3.43 0.00 -0.80 -2.69 119.26 121.18 1ubm h ALA 520 Ca 0.03 -0.17 -0.03 0.00 0.00 0.00 0.00 54.91 54.74 1ubm h ALA 520 Cb 0.42 -0.23 -0.00 0.00 0.00 0.00 0.00 17.79 17.98 1ubm h ALA 520 CO 0.01 0.52 -0.14 0.66 0.00 0.00 0.00 179.25 180.31 1ubm h SER 521 N 0.82 0.00 1.76 0.00 4.64 -0.86 -2.74 113.55 117.16 1ubm h SER 521 Ca 0.19 0.00 -0.01 0.00 -0.47 0.00 0.00 61.79 61.50 1ubm h SER 521 Cb 0.22 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 62.31 1ubm h SER 521 CO -0.01 0.14 -0.04 -0.07 -0.87 0.00 0.00 176.83 175.97 1ubm h LEU 522 N 0.00 0.00 -9.54 5.97 3.38 -1.11 -3.17 115.31 110.84 1ubm h LEU 522 Ca -0.00 0.00 -0.53 0.00 0.09 0.00 0.00 57.88 57.44 1ubm h LEU 522 Cb 0.49 0.00 0.03 0.00 0.09 0.00 0.00 40.66 41.27 1ubm h LEU 522 CO 0.02 0.04 0.82 -0.63 0.09 0.00 0.00 178.44 178.78 1ubm s ILE 523 N -3.29 3.09 0.00 1.22 -1.09 -1.04 -1.67 121.20 118.43 1ubm s ILE 523 Ca 0.06 0.74 0.00 0.00 -2.23 0.00 0.00 60.65 59.22 1ubm s ILE 523 Cb 0.06 -3.48 0.00 0.00 -1.58 0.00 0.00 42.46 37.46 1ubm s ILE 523 CO 0.65 0.05 0.00 0.61 -1.23 0.00 0.00 174.94 175.02 1ubm n GLY 524 N 3.65 0.58 3.70 6.18 0.00 0.11 -4.79 105.19 114.62 1ubm n GLY 524 Ca 0.13 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.73 1ubm n GLY 524 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1ubm s THR 525 N -2.30 3.18 0.37 2.61 2.01 -0.67 -4.64 115.64 116.20 1ubm s THR 525 Ca 0.00 0.71 -0.25 0.00 0.31 0.00 0.00 61.69 62.46 1ubm s THR 525 Cb 0.00 -3.45 -0.09 0.00 0.01 0.00 0.00 72.50 68.96 1ubm s THR 525 CO 0.00 0.02 1.06 -2.16 -0.69 0.00 0.00 174.62 172.85 1ubm s PRO 526 N 2.05 4.28 -0.28 4.92 0.04 -1.26 -0.48 135.00 144.26 1ubm s PRO 526 Ca 0.69 1.58 0.00 0.00 0.04 0.00 0.00 61.00 63.32 1ubm s PRO 526 Cb -0.38 -2.70 0.09 0.00 0.04 0.00 0.00 34.50 31.55 1ubm s PRO 526 CO 0.30 -0.06 0.05 0.08 0.04 0.00 0.00 177.00 177.41 1ubm s VAL 527 N -1.53 1.22 0.10 -0.36 1.01 0.52 -4.71 120.40 116.65 1ubm s VAL 527 Ca 0.54 -1.42 -0.16 0.00 0.00 0.00 0.00 61.98 60.95 1ubm s VAL 527 Cb -0.25 -1.79 -0.08 0.00 0.00 0.00 0.00 36.38 34.26 1ubm s VAL 527 CO 0.31 -0.48 1.45 0.00 0.00 0.00 0.00 175.10 176.38 1ubm h ALA 528 N 8.00 0.42 -3.15 5.51 0.00 -1.92 -3.42 119.26 124.69 1ubm h ALA 528 Ca -0.13 -0.35 -0.51 0.00 0.00 0.00 0.00 54.91 53.92 1ubm h ALA 528 Cb 1.04 -0.10 -0.40 0.00 0.00 0.00 0.00 17.79 18.33 1ubm h ALA 528 CO 0.45 0.34 -0.76 0.34 0.00 0.00 0.00 179.25 179.62 1ubm s ASP 529 N -6.38 2.96 0.52 0.00 3.68 -1.26 -4.94 116.67 111.24 1ubm s ASP 529 Ca -0.13 -0.91 0.21 0.00 2.13 0.00 0.00 52.55 53.86 1ubm s ASP 529 Cb 0.08 -0.51 1.38 0.00 -1.45 0.00 0.00 42.92 42.43 1ubm s ASP 529 CO 0.81 -0.34 2.12 0.00 0.13 0.00 0.00 175.17 177.89 1ubm h ALA 530 N 8.29 1.66 0.00 3.66 0.00 -1.98 -0.86 119.26 130.03 1ubm h ALA 530 Ca -0.16 -0.07 0.00 0.00 0.00 0.00 0.00 54.91 54.68 1ubm h ALA 530 Cb 1.10 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.88 1ubm h ALA 530 CO 0.35 0.09 0.00 0.87 0.00 0.00 0.00 179.25 180.56 1ubm h LYS 531 N 0.00 0.00 -2.03 0.00 1.57 -1.99 -3.36 116.57 110.77 1ubm h LYS 531 Ca -0.00 0.00 -0.56 0.00 -1.87 0.00 0.00 60.65 58.22 1ubm h LYS 531 Cb 0.15 0.00 -0.39 0.00 0.08 0.00 0.00 32.23 32.07 1ubm h LYS 531 CO 0.01 0.00 -1.06 0.54 -0.57 0.00 0.00 179.45 178.37 1ubm n ARG 532 N -2.50 0.86 -1.77 3.15 1.74 -0.34 -5.05 116.66 112.76 1ubm n ARG 532 Ca 0.03 -3.35 -0.41 0.00 -0.77 0.00 0.00 57.85 53.36 1ubm n ARG 532 Cb 0.35 -1.31 -0.01 0.00 -1.02 0.00 0.00 32.46 30.47 1ubm n ARG 532 CO 0.00 0.00 0.00 -0.35 -1.52 0.00 0.00 177.63 175.76 1ubm n PRO 533 N 1.39 3.64 0.23 5.56 -0.04 -1.16 -4.63 135.00 139.98 1ubm n PRO 533 Ca 0.22 -2.84 0.06 0.00 -0.04 0.00 0.00 63.50 60.90 1ubm n PRO 533 Cb 0.52 -2.93 0.52 0.00 -0.04 0.00 0.00 33.50 31.57 1ubm n PRO 533 CO 0.00 0.00 0.00 -0.24 -0.04 0.00 0.00 175.50 175.22 1ubm h VAL 534 N 3.34 1.11 -0.42 0.52 3.04 -1.96 -1.62 116.25 120.26 1ubm h VAL 534 Ca 0.66 -0.55 -0.05 0.00 -1.01 0.00 0.00 66.70 65.75 1ubm h VAL 534 Cb 0.45 1.30 -0.02 0.00 -2.01 0.00 0.00 31.29 31.01 1ubm h VAL 534 CO 1.72 0.16 0.06 -0.33 -1.01 0.00 0.00 177.57 178.17 1ubm h GLU 535 N 0.00 0.65 -0.48 4.17 3.07 -1.84 0.16 114.58 120.31 1ubm h GLU 535 Ca -0.00 -0.13 -0.09 0.00 -0.50 0.00 0.00 59.36 58.64 1ubm h GLU 535 Cb 0.28 -0.10 -0.02 0.00 -0.84 0.00 0.00 28.75 28.08 1ubm h GLU 535 CO 0.02 0.62 -0.06 0.82 -1.40 0.00 0.00 179.01 179.02 1ubm h ILE 536 N 0.62 1.27 -0.83 3.13 2.04 -1.60 -2.56 117.51 119.59 1ubm h ILE 536 Ca 0.14 -1.16 0.00 0.00 1.00 0.00 0.00 64.86 64.84 1ubm h ILE 536 Cb 0.30 1.05 -0.04 0.00 -0.74 0.00 0.00 36.82 37.39 1ubm h ILE 536 CO 0.00 0.40 0.53 -0.07 0.00 0.00 0.00 178.15 179.02 1ubm h LEU 537 N 0.73 0.97 -0.59 1.44 3.38 -1.21 -0.97 115.31 119.05 1ubm h LEU 537 Ca 0.13 -0.04 0.03 0.00 0.09 0.00 0.00 57.88 58.09 1ubm h LEU 537 Cb 0.59 -0.24 -0.04 0.00 0.09 0.00 0.00 40.66 41.06 1ubm h LEU 537 CO 0.04 0.72 0.35 0.03 0.09 0.00 0.00 178.44 179.67 1ubm h ARG 538 N 1.13 0.67 -0.10 1.13 3.08 -0.30 0.34 114.38 120.32 1ubm h ARG 538 Ca 0.30 -0.04 -0.06 0.00 0.07 0.00 0.00 59.98 60.26 1ubm h ARG 538 Cb -0.10 -0.15 -0.00 0.00 0.08 0.00 0.00 29.97 29.80 1ubm h ARG 538 CO -0.06 0.44 -0.16 1.15 -1.07 0.00 0.00 179.97 180.27 1ubm h THR 539 N 0.69 1.38 -0.30 2.04 2.02 -1.29 -2.04 112.91 115.41 1ubm h THR 539 Ca 0.25 -1.40 0.01 0.00 0.77 0.00 0.00 66.41 66.03 1ubm h THR 539 Cb 0.06 2.07 -0.02 0.00 -1.74 0.00 0.00 68.15 68.52 1ubm h THR 539 CO -0.12 0.40 0.19 0.58 0.37 0.00 0.00 175.52 176.94 1ubm h VAL 540 N -0.15 1.06 -0.03 3.16 2.07 -0.96 -2.14 116.25 119.26 1ubm h VAL 540 Ca 0.01 -0.13 -0.03 0.00 0.82 0.00 0.00 66.70 67.37 1ubm h VAL 540 Cb 0.72 0.64 -0.01 0.00 -1.52 0.00 0.00 31.29 31.12 1ubm h VAL 540 CO 0.04 0.07 -0.12 0.45 0.02 0.00 0.00 177.57 178.03 1ubm h HIS 541 N 0.38 0.04 0.00 1.57 -0.00 -0.38 -2.25 115.15 114.52 1ubm h HIS 541 Ca 0.11 -0.00 -0.01 0.00 -0.00 0.00 0.00 60.37 60.48 1ubm h HIS 541 Cb -0.03 -0.01 -0.00 0.00 -0.00 0.00 0.00 27.41 27.37 1ubm h HIS 541 CO -0.07 0.16 -0.03 0.66 -0.00 0.00 0.00 177.93 178.66 1ubm h SER 542 N 0.04 0.00 0.83 2.45 4.64 -0.66 0.11 113.55 120.96 1ubm h SER 542 Ca 0.01 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.33 1ubm h SER 542 Cb 0.24 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.33 1ubm h SER 542 CO 0.02 0.03 -0.09 0.49 -0.87 0.00 0.00 176.83 176.40 1ubm n PHE 543 N -3.77 0.00 -3.41 4.77 3.72 -0.85 -4.63 117.46 113.29 1ubm n PHE 543 Ca -0.03 0.00 -0.20 0.00 -0.05 0.00 0.00 57.45 57.17 1ubm n PHE 543 Cb 0.11 -0.41 0.05 0.00 -0.94 0.00 0.00 39.48 38.29 1ubm n PHE 543 CO 0.00 0.00 0.00 -3.47 -0.05 0.00 0.00 176.76 173.24 1ubm n ASP 544 N -1.44 -6.21 -4.76 4.37 4.64 0.38 -4.89 116.55 108.64 1ubm n ASP 544 Ca 0.08 -0.78 -0.39 0.00 -1.38 0.00 0.00 54.79 52.32 1ubm n ASP 544 Cb 0.32 -4.41 0.01 0.00 -1.04 0.00 0.00 41.12 36.00 1ubm n ASP 544 CO 0.00 0.00 0.00 -2.84 -0.82 0.00 0.00 177.20 173.54 1ubm s PRO 545 N -4.89 3.65 -0.25 -0.67 0.02 -1.26 -4.95 135.00 126.65 1ubm s PRO 545 Ca 0.41 2.21 -0.03 0.00 0.02 0.00 0.00 61.00 63.61 1ubm s PRO 545 Cb -0.10 -2.56 0.08 0.00 0.02 0.00 0.00 34.50 31.94 1ubm s PRO 545 CO 0.79 -0.77 0.09 0.00 -0.33 0.00 0.00 177.00 176.78 1ubm h ILE 547 N 6.46 1.18 -0.56 0.00 1.08 -1.26 -0.92 117.51 123.48 1ubm h ILE 547 Ca -0.17 -2.88 0.03 0.00 -0.39 0.00 0.00 64.86 61.45 1ubm h ILE 547 Cb 1.06 2.56 -0.04 0.00 -3.07 0.00 0.00 36.82 37.34 1ubm h ILE 547 CO 0.40 0.67 0.34 0.00 -0.69 0.00 0.00 178.15 178.87 1ubm h ALA 548 N 1.11 0.73 0.07 1.87 0.00 -1.84 -0.87 119.26 120.32 1ubm h ALA 548 Ca -0.12 -0.01 0.01 0.00 0.00 0.00 0.00 54.91 54.79 1ubm h ALA 548 Cb 1.79 -0.17 -0.02 0.00 0.00 0.00 0.00 17.79 19.39 1ubm h ALA 548 CO 0.10 0.07 -0.12 0.00 0.00 0.00 0.00 179.25 179.29 1ubm h GLY 550 N -0.24 1.18 0.06 0.00 0.00 -0.70 -3.31 103.07 100.07 1ubm h GLY 550 Ca 0.02 -0.50 -0.39 0.00 0.00 0.00 0.00 47.33 46.46 1ubm h GLY 550 CO -0.07 0.49 -2.43 -0.62 0.00 0.00 0.00 176.54 173.91 1ubm n VAL 551 N -4.36 1.52 -0.01 4.60 0.31 -0.37 -4.43 118.33 115.58 1ubm n VAL 551 Ca 0.09 -0.57 0.00 0.00 -0.01 0.00 0.00 64.34 63.84 1ubm n VAL 551 Cb 0.08 -1.46 0.00 0.00 -0.91 0.00 0.00 33.84 31.54 1ubm n VAL 551 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51