#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ubt n SER 20 N 0.00 -2.14 -4.73 6.43 3.41 -1.26 -4.85 113.62 110.48 1ubt n SER 20 Ca 0.00 -0.19 -0.42 0.00 -0.26 0.00 0.00 58.87 58.00 1ubt n SER 20 Cb 0.00 -0.25 -0.03 0.00 -0.26 0.00 0.00 64.21 63.68 1ubt n SER 20 CO 0.00 0.00 0.00 -0.47 -0.16 0.00 0.00 175.04 174.41 1ubt s TYR 21 N -1.13 3.08 -0.06 7.33 5.04 -1.26 -4.55 117.35 125.79 1ubt s TYR 21 Ca 0.14 0.88 0.04 0.00 -2.44 0.00 0.00 57.07 55.69 1ubt s TYR 21 Cb -0.03 -3.83 0.00 0.00 0.35 0.00 0.00 41.96 38.46 1ubt s TYR 21 CO 0.12 -2.87 -0.17 -1.12 -1.34 0.00 0.00 175.55 170.17 1ubt s SER 22 N 0.76 2.26 0.00 4.32 0.01 -1.26 -0.09 113.70 119.70 1ubt s SER 22 Ca 0.64 -0.38 0.00 0.00 1.31 0.00 0.00 55.95 57.51 1ubt s SER 22 Cb -0.42 -0.86 0.00 0.00 0.21 0.00 0.00 66.02 64.95 1ubt s SER 22 CO 0.37 0.12 0.00 0.61 0.41 0.00 0.00 173.24 174.74 1ubt n GLY 23 N 3.45 -0.10 3.84 3.44 0.00 0.52 -4.97 105.19 111.37 1ubt n GLY 23 Ca -0.20 -1.73 -0.32 0.00 0.00 0.00 0.00 46.02 43.77 1ubt n GLY 23 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1ubt s PRO 24 N -1.53 4.00 -0.02 1.61 0.04 -1.26 -0.06 135.00 137.77 1ubt s PRO 24 Ca 0.00 0.96 0.02 0.00 0.04 0.00 0.00 61.00 62.02 1ubt s PRO 24 Cb 0.00 -2.16 0.00 0.00 0.04 0.00 0.00 34.50 32.38 1ubt s PRO 24 CO 0.00 -0.20 -0.08 0.42 0.04 0.00 0.00 177.00 177.17 1ubt s ILE 25 N -2.51 0.72 -0.04 0.56 1.01 -0.35 -4.89 121.20 115.70 1ubt s ILE 25 Ca 0.59 -0.33 0.07 0.00 0.00 0.00 0.00 60.65 60.97 1ubt s ILE 25 Cb -0.10 -0.64 -0.01 0.00 0.01 0.00 0.00 42.46 41.72 1ubt s ILE 25 CO 0.27 0.23 -0.24 -0.69 0.00 0.00 0.00 174.94 174.51 1ubt s VAL 26 N 0.16 1.96 -0.32 2.92 1.01 -1.26 -0.78 120.40 124.09 1ubt s VAL 26 Ca -0.02 -1.03 0.03 0.00 0.00 0.00 0.00 61.98 60.95 1ubt s VAL 26 Cb -0.08 -1.64 0.09 0.00 0.00 0.00 0.00 36.38 34.75 1ubt s VAL 26 CO 0.00 0.55 0.04 -0.69 0.00 0.00 0.00 175.10 175.00 1ubt s VAL 27 N -0.33 1.89 -0.27 2.92 1.01 0.10 -5.01 120.40 120.71 1ubt s VAL 27 Ca 0.02 -1.98 -0.01 0.00 0.00 0.00 0.00 61.98 60.01 1ubt s VAL 27 Cb -0.12 -2.35 0.15 0.00 0.00 0.00 0.00 36.38 34.06 1ubt s VAL 27 CO 0.02 -0.53 0.41 -0.62 0.00 0.00 0.00 175.10 174.38 1ubt s ASP 28 N 1.12 0.15 0.33 3.32 3.68 -1.26 -1.19 116.67 122.82 1ubt s ASP 28 Ca 0.08 0.03 -0.26 0.00 2.13 0.00 0.00 52.55 54.52 1ubt s ASP 28 Cb -0.19 1.20 -0.10 0.00 -1.45 0.00 0.00 42.92 42.39 1ubt s ASP 28 CO -0.11 -0.32 0.96 -2.16 0.13 0.00 0.00 175.17 173.67 1ubt s PRO 29 N 2.57 4.54 -0.37 4.34 0.04 -1.26 -5.09 135.00 139.77 1ubt s PRO 29 Ca 0.12 1.35 -0.29 0.00 0.04 0.00 0.00 61.00 62.22 1ubt s PRO 29 Cb -0.14 -2.76 0.00 0.00 0.04 0.00 0.00 34.50 31.64 1ubt s PRO 29 CO -0.22 0.23 1.50 0.08 0.04 0.00 0.00 177.00 178.63 1ubt s VAL 30 N -1.63 3.82 0.72 -0.36 1.01 -0.27 -5.03 120.40 118.66 1ubt s VAL 30 Ca 0.51 0.85 -0.05 0.00 0.00 0.00 0.00 61.98 63.29 1ubt s VAL 30 Cb -0.19 -4.05 0.09 0.00 0.00 0.00 0.00 36.38 32.24 1ubt s VAL 30 CO 0.24 -0.63 1.01 0.42 0.00 0.00 0.00 175.10 176.14 1ubt s THR 31 N 5.64 2.27 -1.39 3.92 -4.23 -1.26 -4.43 115.64 116.15 1ubt s THR 31 Ca 0.65 -0.39 -0.07 0.00 -1.18 0.00 0.00 61.69 60.70 1ubt s THR 31 Cb -0.16 -2.87 0.03 0.00 1.34 0.00 0.00 72.50 70.84 1ubt s THR 31 CO 0.32 0.00 0.93 0.54 -0.54 0.00 0.00 174.62 175.87 1ubt n ARG 32 N -2.91 -5.93 -4.28 3.99 1.74 -1.26 -5.00 116.66 103.01 1ubt n ARG 32 Ca 0.11 0.68 -0.16 0.00 -0.77 0.00 0.00 57.85 57.70 1ubt n ARG 32 Cb 0.60 -5.51 -0.09 0.00 -1.02 0.00 0.00 32.46 26.44 1ubt n ARG 32 CO 0.00 0.00 0.00 0.96 -1.52 0.00 0.00 177.63 177.07 1ubt s ILE 33 N -3.43 0.21 0.06 0.55 -4.36 -1.26 -4.73 121.20 108.25 1ubt s ILE 33 Ca 0.36 -2.00 -0.23 0.00 -0.26 0.00 0.00 60.65 58.52 1ubt s ILE 33 Cb -0.17 -2.53 -0.06 0.00 1.25 0.00 0.00 42.46 40.95 1ubt s ILE 33 CO 0.79 0.00 0.70 -0.70 0.24 0.00 0.00 174.94 175.97 1ubt s GLU 34 N -3.92 4.42 0.82 0.37 -6.30 -1.04 -4.98 118.70 108.07 1ubt s GLU 34 Ca 0.38 0.96 0.00 0.00 -2.50 0.00 0.00 54.97 53.80 1ubt s GLU 34 Cb 0.06 -3.32 0.00 0.00 0.00 0.00 0.00 34.13 30.87 1ubt s GLU 34 CO 0.16 0.42 0.00 0.41 0.02 0.00 0.00 175.26 176.27 1ubt n GLY 35 N 2.13 -1.99 3.12 -1.50 0.00 -1.26 -0.66 105.19 105.02 1ubt n GLY 35 Ca -0.05 -1.56 -0.36 0.00 0.00 0.00 0.00 46.02 44.04 1ubt n GLY 35 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 1ubt s HIS 36 N 0.00 3.59 -0.06 1.61 3.76 -1.26 -4.84 115.29 118.09 1ubt s HIS 36 Ca 0.00 -2.41 0.06 0.00 -0.15 0.00 0.00 55.06 52.56 1ubt s HIS 36 Cb 0.00 -3.24 -0.01 0.00 1.11 0.00 0.00 32.58 30.44 1ubt s HIS 36 CO 0.00 -0.97 -0.24 -1.17 -0.85 0.00 0.00 174.74 171.50 1ubt s LEU 37 N 1.15 2.12 -0.21 0.89 0.20 -1.26 -1.41 118.68 120.15 1ubt s LEU 37 Ca 0.08 -0.49 -0.02 0.00 0.69 0.00 0.00 54.13 54.40 1ubt s LEU 37 Cb -0.23 -1.39 0.01 0.00 -0.43 0.00 0.00 46.19 44.15 1ubt s LEU 37 CO -0.04 0.25 -0.10 -0.60 -0.29 0.00 0.00 176.35 175.57 1ubt s ARG 38 N -0.22 3.18 -0.17 1.98 3.52 0.39 -1.12 118.95 126.51 1ubt s ARG 38 Ca -0.02 -0.74 -0.07 0.00 -0.13 0.00 0.00 55.73 54.78 1ubt s ARG 38 Cb -0.13 -2.86 -0.04 0.00 -1.56 0.00 0.00 34.95 30.36 1ubt s ARG 38 CO 0.03 -0.23 0.05 0.42 -0.81 0.00 0.00 175.30 174.76 1ubt s ILE 39 N 1.40 4.64 -0.11 4.11 -1.09 -0.34 -0.97 121.20 128.84 1ubt s ILE 39 Ca 0.05 -0.09 0.03 0.00 -2.23 0.00 0.00 60.65 58.41 1ubt s ILE 39 Cb -0.14 -3.08 -0.00 0.00 -1.58 0.00 0.00 42.46 37.66 1ubt s ILE 39 CO -0.07 0.48 -0.21 -1.61 -1.23 0.00 0.00 174.94 172.30 1ubt s GLU 40 N 0.28 3.14 0.15 2.79 2.02 -0.67 -0.73 118.70 125.68 1ubt s GLU 40 Ca 0.02 -0.82 0.06 0.00 0.02 0.00 0.00 54.97 54.25 1ubt s GLU 40 Cb -0.13 -2.41 -0.04 0.00 0.10 0.00 0.00 34.13 31.66 1ubt s GLU 40 CO 0.01 0.17 -0.13 0.14 0.02 0.00 0.00 175.26 175.47 1ubt s VAL 41 N 0.39 1.37 -0.17 2.63 -7.23 0.04 -0.45 120.40 116.97 1ubt s VAL 41 Ca -0.16 -1.94 -0.06 0.00 -1.81 0.00 0.00 61.98 58.02 1ubt s VAL 41 Cb -0.17 -1.75 -0.03 0.00 0.56 0.00 0.00 36.38 34.99 1ubt s VAL 41 CO 0.07 -0.56 0.01 -1.61 -0.31 0.00 0.00 175.10 172.70 1ubt s GLU 42 N -3.24 3.80 0.02 4.82 2.02 -0.40 -1.21 118.70 124.52 1ubt s GLU 42 Ca 0.14 -0.44 0.07 0.00 0.02 0.00 0.00 54.97 54.76 1ubt s GLU 42 Cb -0.02 -3.08 -0.03 0.00 0.10 0.00 0.00 34.13 31.11 1ubt s GLU 42 CO 0.03 0.22 -0.20 0.54 0.02 0.00 0.00 175.26 175.88 1ubt s VAL 43 N 0.46 2.64 -0.13 2.63 0.11 0.91 -0.66 120.40 126.36 1ubt s VAL 43 Ca -0.00 -1.14 -0.01 0.00 -2.93 0.00 0.00 61.98 57.90 1ubt s VAL 43 Cb -0.13 -2.07 0.03 0.00 -1.53 0.00 0.00 36.38 32.68 1ubt s VAL 43 CO 0.02 0.41 -0.04 -0.70 -3.33 0.00 0.00 175.10 171.45 1ubt s GLU 44 N -1.20 1.25 -1.44 1.54 2.12 -0.11 -0.36 118.70 120.51 1ubt s GLU 44 Ca 0.13 -0.31 -0.10 0.00 0.36 0.00 0.00 54.97 55.05 1ubt s GLU 44 Cb -0.10 -1.69 0.05 0.00 0.26 0.00 0.00 34.13 32.65 1ubt s GLU 44 CO 0.03 -0.37 1.02 0.09 -0.54 0.00 0.00 175.26 175.49 1ubt n ASN 45 N 4.96 -4.79 0.00 -1.70 4.13 -1.04 -2.13 115.26 114.68 1ubt n ASN 45 Ca -0.11 -0.70 0.00 0.00 1.68 0.00 0.00 54.58 55.45 1ubt n ASN 45 Cb 0.49 -4.34 0.00 0.00 -1.54 0.00 0.00 39.78 34.39 1ubt n ASN 45 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 1ubt n GLY 46 N -1.76 0.62 3.10 7.41 0.00 0.87 -4.77 105.19 110.67 1ubt n GLY 46 Ca -0.02 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.77 1ubt n GLY 46 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1ubt s LYS 47 N -0.11 1.17 0.15 1.61 1.02 -0.91 -0.87 119.74 121.81 1ubt s LYS 47 Ca 0.00 -0.49 -0.31 0.00 0.02 0.00 0.00 55.97 55.19 1ubt s LYS 47 Cb 0.00 -1.12 -0.09 0.00 -0.52 0.00 0.00 37.83 36.10 1ubt s LYS 47 CO 0.00 0.28 1.49 0.08 -0.92 0.00 0.00 175.35 176.28 1ubt s VAL 48 N -0.24 2.87 -0.28 3.17 1.01 0.37 -0.93 120.40 126.36 1ubt s VAL 48 Ca 0.04 0.63 0.07 0.00 0.00 0.00 0.00 61.98 62.72 1ubt s VAL 48 Cb -0.06 -3.40 -0.08 0.00 0.00 0.00 0.00 36.38 32.83 1ubt s VAL 48 CO -0.00 0.05 0.28 2.29 0.00 0.00 0.00 175.10 177.72 1ubt n LYS 49 N 3.81 3.87 -3.51 2.72 2.85 0.16 -0.09 118.16 127.97 1ubt n LYS 49 Ca 0.12 -0.01 -0.17 0.00 -1.05 0.00 0.00 58.31 57.21 1ubt n LYS 49 Cb 0.40 -0.89 -0.05 0.00 -0.65 0.00 0.00 35.03 33.83 1ubt n LYS 49 CO 0.00 0.00 0.00 1.21 -0.05 0.00 0.00 177.40 178.56 1ubt s ASN 50 N -1.88 -0.62 -0.05 -5.58 3.04 -1.19 -4.94 114.94 103.71 1ubt s ASN 50 Ca 0.02 0.59 -0.16 0.00 0.04 0.00 0.00 52.86 53.35 1ubt s ASN 50 Cb 0.05 0.53 0.03 0.00 -1.54 0.00 0.00 41.25 40.32 1ubt s ASN 50 CO 0.29 -0.64 0.36 0.00 -3.04 0.00 0.00 177.10 174.08 1ubt s ALA 51 N -1.57 -0.92 -0.04 1.71 0.00 -1.26 -1.27 121.76 118.40 1ubt s ALA 51 Ca -0.09 0.62 0.02 0.00 0.00 0.00 0.00 51.96 52.52 1ubt s ALA 51 Cb -0.00 -0.12 0.01 0.00 0.00 0.00 0.00 23.12 23.01 1ubt s ALA 51 CO 0.06 -0.25 -0.08 0.71 0.00 0.00 0.00 175.76 176.20 1ubt s TYR 52 N -0.90 0.99 -0.46 0.00 2.02 0.40 -4.88 117.35 114.52 1ubt s TYR 52 Ca -0.10 -0.30 -0.14 0.00 -0.37 0.00 0.00 57.07 56.16 1ubt s TYR 52 Cb -0.04 -0.77 0.08 0.00 -0.40 0.00 0.00 41.96 40.82 1ubt s TYR 52 CO 0.04 -0.19 0.36 0.45 -1.57 0.00 0.00 175.55 174.64 1ubt s SER 53 N 0.66 6.00 -0.28 2.29 0.15 -1.26 -1.67 113.70 119.58 1ubt s SER 53 Ca -0.11 -1.41 -0.03 0.00 0.70 0.00 0.00 55.95 55.10 1ubt s SER 53 Cb -0.13 -2.13 0.03 0.00 -1.71 0.00 0.00 66.02 62.08 1ubt s SER 53 CO 0.01 -0.63 0.01 -0.55 1.20 0.00 0.00 173.24 173.28 1ubt s SER 54 N 2.53 4.76 -0.17 5.45 0.15 -0.15 -4.48 113.70 121.80 1ubt s SER 54 Ca 0.04 -0.96 -0.18 0.00 0.70 0.00 0.00 55.95 55.54 1ubt s SER 54 Cb -0.24 -1.75 -0.04 0.00 -1.71 0.00 0.00 66.02 62.28 1ubt s SER 54 CO 0.05 -0.20 0.50 -0.44 1.20 0.00 0.00 173.24 174.36 1ubt s SER 55 N 1.36 6.61 -0.09 5.45 0.01 -1.26 -0.46 113.70 125.32 1ubt s SER 55 Ca -0.01 0.73 0.12 0.00 1.31 0.00 0.00 55.95 58.11 1ubt s SER 55 Cb -0.18 -2.29 0.26 0.00 0.21 0.00 0.00 66.02 64.02 1ubt s SER 55 CO -0.01 -0.11 1.18 0.35 0.41 0.00 0.00 173.24 175.06 1ubt n THR 56 N 4.20 1.62 -4.68 1.44 -2.24 -0.50 -1.62 114.28 112.49 1ubt n THR 56 Ca -0.06 -1.69 -0.24 0.00 -2.27 0.00 0.00 64.05 59.79 1ubt n THR 56 Cb 0.51 0.05 -0.16 0.00 -2.10 0.00 0.00 70.33 68.63 1ubt n THR 56 CO 0.00 0.00 0.00 -0.22 -0.57 0.00 0.00 175.07 174.28 1ubt s LEU 57 N -2.12 1.86 -0.02 3.22 2.96 -1.26 -5.04 118.68 118.27 1ubt s LEU 57 Ca 0.24 -0.30 0.07 0.00 -0.22 0.00 0.00 54.13 53.93 1ubt s LEU 57 Cb 0.20 -0.83 -0.02 0.00 0.50 0.00 0.00 46.19 46.04 1ubt s LEU 57 CO 0.05 0.12 -0.25 0.12 -1.32 0.00 0.00 176.35 175.07 1ubt s PHE 58 N 0.12 2.25 -0.06 5.38 5.36 -1.26 -4.85 117.98 124.92 1ubt s PHE 58 Ca -0.04 -0.46 0.00 0.00 -0.96 0.00 0.00 56.93 55.48 1ubt s PHE 58 Cb -0.11 -1.45 -0.04 0.00 -0.34 0.00 0.00 43.02 41.08 1ubt s PHE 58 CO 0.02 -0.06 -0.05 0.54 -1.46 0.00 0.00 175.22 174.20 1ubt n ARG 59 N 2.53 0.15 -1.70 10.12 1.74 -0.50 -5.08 116.66 123.92 1ubt n ARG 59 Ca -0.16 0.04 0.00 0.00 -0.77 0.00 0.00 57.85 56.95 1ubt n ARG 59 Cb 0.51 -1.10 0.00 0.00 -1.02 0.00 0.00 32.46 30.85 1ubt n ARG 59 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1ubt n GLY 60 N 3.19 0.92 0.28 -0.13 0.00 -0.77 -4.97 105.19 103.71 1ubt n GLY 60 Ca -0.11 -0.55 0.05 0.00 0.00 0.00 0.00 46.02 45.42 1ubt n GLY 60 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 1ubt h LEU 61 N 0.00 0.24 -1.11 0.99 3.38 -1.91 -1.37 115.31 115.53 1ubt h LEU 61 Ca 0.00 -0.01 -0.06 0.00 0.09 0.00 0.00 57.88 57.90 1ubt h LEU 61 Cb 0.73 -0.06 -0.02 0.00 0.09 0.00 0.00 40.66 41.40 1ubt h LEU 61 CO 0.00 0.20 -0.04 -0.33 0.09 0.00 0.00 178.44 178.37 1ubt h GLU 62 N 0.28 0.58 -0.22 1.13 5.08 -1.93 -1.56 114.58 117.95 1ubt h GLU 62 Ca 0.07 -0.14 -0.05 0.00 -1.00 0.00 0.00 59.36 58.24 1ubt h GLU 62 Cb 0.02 -0.07 -0.01 0.00 0.50 0.00 0.00 28.75 29.19 1ubt h GLU 62 CO -0.01 0.63 -0.06 0.82 -1.00 0.00 0.00 179.01 179.39 1ubt h ILE 63 N 0.55 1.29 -0.20 3.13 2.04 -1.60 -3.15 117.51 119.56 1ubt h ILE 63 Ca 0.11 -1.07 -0.03 0.00 1.00 0.00 0.00 64.86 64.87 1ubt h ILE 63 Cb 0.41 1.54 -0.01 0.00 -0.74 0.00 0.00 36.82 38.02 1ubt h ILE 63 CO 0.02 0.33 -0.00 0.40 0.00 0.00 0.00 178.15 178.89 1ubt h ILE 64 N 0.16 1.13 0.00 -0.67 2.04 -1.06 -2.49 117.51 116.62 1ubt h ILE 64 Ca 0.05 -0.51 -0.01 0.00 1.00 0.00 0.00 64.86 65.40 1ubt h ILE 64 Cb 0.53 0.98 -0.00 0.00 -0.74 0.00 0.00 36.82 37.59 1ubt h ILE 64 CO 0.02 0.17 -0.03 -0.07 0.00 0.00 0.00 178.15 178.25 1ubt h LEU 65 N 0.29 0.00 -9.69 1.44 3.38 -1.25 -3.46 115.31 106.02 1ubt h LEU 65 Ca 0.07 0.00 -0.55 0.00 0.09 0.00 0.00 57.88 57.49 1ubt h LEU 65 Cb 0.20 0.00 0.07 0.00 0.09 0.00 0.00 40.66 41.03 1ubt h LEU 65 CO 0.00 0.03 0.86 0.29 0.09 0.00 0.00 178.44 179.71 1ubt n LYS 66 N -3.13 2.54 -0.30 1.13 5.02 -0.94 -1.93 118.16 120.55 1ubt n LYS 66 Ca 0.01 0.91 0.00 0.00 -2.02 0.00 0.00 58.31 57.21 1ubt n LYS 66 Cb 0.34 -2.69 0.00 0.00 -0.02 0.00 0.00 35.03 32.67 1ubt n LYS 66 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1ubt n GLY 67 N 2.79 1.42 3.95 0.72 0.00 0.75 -4.96 105.19 109.86 1ubt n GLY 67 Ca 0.12 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.90 1ubt n GLY 67 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1ubt s ARG 68 N -0.35 2.10 0.07 1.61 0.52 -0.81 -4.50 118.95 117.59 1ubt s ARG 68 Ca 0.00 -0.54 -0.31 0.00 -0.52 0.00 0.00 55.73 54.36 1ubt s ARG 68 Cb 0.00 -2.26 -0.08 0.00 0.52 0.00 0.00 34.95 33.14 1ubt s ARG 68 CO 0.00 -1.21 1.54 0.34 0.02 0.00 0.00 175.30 175.98 1ubt s ASP 69 N -4.55 6.70 0.55 0.23 -1.08 -1.26 -0.80 116.67 116.45 1ubt s ASP 69 Ca 0.61 2.39 0.26 0.00 -0.52 0.00 0.00 52.55 55.29 1ubt s ASP 69 Cb -0.09 -2.57 1.45 0.00 -1.46 0.00 0.00 42.92 40.24 1ubt s ASP 69 CO 0.44 -0.80 2.00 -0.65 0.52 0.00 0.00 175.17 176.68 1ubt h PRO 70 N 7.75 0.00 0.00 4.34 0.11 -1.90 0.96 132.00 143.25 1ubt h PRO 70 Ca -0.41 0.00 -0.01 0.00 0.11 0.00 0.00 66.00 65.69 1ubt h PRO 70 Cb 1.20 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 32.31 1ubt h PRO 70 CO 0.91 0.00 -0.03 0.00 -0.21 0.00 0.00 178.00 178.67 1ubt h ARG 71 N 0.00 0.00 0.00 1.05 3.08 -1.94 -2.49 114.38 114.08 1ubt h ARG 71 Ca 0.22 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.27 1ubt h ARG 71 Cb 0.94 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.99 1ubt h ARG 71 CO -0.00 0.03 -0.23 -0.44 -1.07 0.00 0.00 179.97 178.26 1ubt h ASP 72 N 0.00 0.00 -0.61 7.04 3.32 -1.18 -3.38 116.42 121.61 1ubt h ASP 72 Ca -0.00 -0.07 0.05 0.00 0.02 0.00 0.00 57.03 57.03 1ubt h ASP 72 Cb 0.26 0.00 -0.05 0.00 0.22 0.00 0.00 39.33 39.76 1ubt h ASP 72 CO 0.00 0.03 0.33 0.00 -1.72 0.00 0.00 179.24 177.89 1ubt h ALA 73 N 2.47 0.80 -0.04 3.45 0.00 -1.48 -2.27 119.26 122.18 1ubt h ALA 73 Ca 0.00 0.01 -0.00 0.00 0.00 0.00 0.00 54.91 54.92 1ubt h ALA 73 Cb 0.77 -0.11 -0.00 0.00 0.00 0.00 0.00 17.79 18.44 1ubt h ALA 73 CO 0.00 0.01 0.01 -0.56 0.00 0.00 0.00 179.25 178.71 1ubt h GLN 74 N 0.63 0.06 -0.20 0.00 3.07 -1.79 0.25 115.11 117.13 1ubt h GLN 74 Ca 0.27 -0.00 -0.20 0.00 0.09 0.00 0.00 58.65 58.80 1ubt h GLN 74 Cb 0.15 -0.01 0.00 0.00 0.08 0.00 0.00 27.48 27.70 1ubt h GLN 74 CO -0.16 0.05 -0.67 0.45 0.09 0.00 0.00 178.83 178.59 1ubt h HIS 75 N 0.06 0.99 -0.03 0.06 3.86 -1.69 -1.10 115.15 117.30 1ubt h HIS 75 Ca 0.02 -0.40 -0.01 0.00 -1.16 0.00 0.00 60.37 58.82 1ubt h HIS 75 Cb 0.02 -0.17 -0.00 0.00 1.06 0.00 0.00 27.41 28.32 1ubt h HIS 75 CO 0.00 1.21 -0.03 0.74 0.86 0.00 0.00 177.93 180.71 1ubt h PHE 76 N 0.55 0.10 0.00 2.45 -1.00 -1.25 -3.30 116.94 114.48 1ubt h PHE 76 Ca -0.02 -0.03 -0.01 0.00 2.81 0.00 0.00 57.97 60.72 1ubt h PHE 76 Cb 1.28 -0.02 -0.00 0.00 3.61 0.00 0.00 35.95 40.81 1ubt h PHE 76 CO 0.07 0.54 -0.07 1.79 -1.61 0.00 0.00 178.31 179.04 1ubt h THR 77 N -0.38 0.17 -0.16 -1.55 1.35 -0.55 -1.23 112.91 110.56 1ubt h THR 77 Ca 0.01 -0.68 0.01 0.00 -0.55 0.00 0.00 66.41 65.19 1ubt h THR 77 Cb 0.53 1.58 -0.01 0.00 -1.73 0.00 0.00 68.15 68.52 1ubt h THR 77 CO 0.01 0.06 0.11 -0.61 -0.25 0.00 0.00 175.52 174.84 1ubt h GLN 78 N 0.00 0.18 0.00 4.72 4.15 -1.27 0.31 115.11 123.20 1ubt h GLN 78 Ca -0.00 -0.01 0.00 0.00 0.77 0.00 0.00 58.65 59.41 1ubt h GLN 78 Cb 0.58 -0.04 0.00 0.00 0.21 0.00 0.00 27.48 28.23 1ubt h GLN 78 CO 0.01 0.12 0.00 0.54 -1.93 0.00 0.00 178.83 177.57 1ubt n ARG 79 N -4.51 0.98 -0.34 1.69 3.00 -0.46 -2.68 116.66 114.33 1ubt n ARG 79 Ca -0.00 0.00 0.07 0.00 -0.01 0.00 0.00 57.85 57.91 1ubt n ARG 79 Cb 0.10 -1.02 0.24 0.00 0.00 0.00 0.00 32.46 31.79 1ubt n ARG 79 CO 0.00 0.00 0.00 1.15 0.00 0.00 0.00 177.63 178.78 1ubt h THR 80 N 0.00 0.87 -1.86 0.55 2.02 -1.01 -3.45 112.91 110.03 1ubt h THR 80 Ca 0.00 -0.31 0.04 0.00 0.77 0.00 0.00 66.41 66.91 1ubt h THR 80 Cb 0.00 -0.11 -0.23 0.00 -1.74 0.00 0.00 68.15 66.08 1ubt h THR 80 CO 0.00 0.16 0.15 0.00 0.37 0.00 0.00 175.52 176.20 1ubt n GLY 82 N 3.90 0.10 0.04 0.00 0.00 -1.26 -3.17 105.19 104.80 1ubt n GLY 82 Ca -0.19 -0.61 -0.00 0.00 0.00 0.00 0.00 46.02 45.22 1ubt n GLY 82 CO 0.00 0.00 0.00 -2.08 0.00 0.00 0.00 173.32 171.24 1ubt h VAL 83 N 2.63 0.00 -0.35 1.61 2.07 -1.95 -3.30 116.25 116.94 1ubt h VAL 83 Ca 0.00 -0.77 -0.38 0.00 0.82 0.00 0.00 66.70 66.37 1ubt h VAL 83 Cb 0.75 0.00 -0.09 0.00 -1.52 0.00 0.00 31.29 30.44 1ubt h VAL 83 CO 0.00 0.00 0.64 0.00 0.02 0.00 0.00 177.57 178.23 1ubt n THR 85 N 2.19 0.00 0.00 0.00 5.66 -1.19 -3.06 114.28 117.89 1ubt n THR 85 Ca 0.51 -0.12 0.00 0.00 -3.05 0.00 0.00 64.05 61.39 1ubt n THR 85 Cb 0.68 -0.90 0.00 0.00 -1.55 0.00 0.00 70.33 68.55 1ubt n THR 85 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 1ubt n TYR 86 N -4.25 0.00 -0.35 1.09 -0.00 -1.26 -4.73 117.16 107.66 1ubt n TYR 86 Ca 0.09 0.00 0.07 0.00 -0.00 0.00 0.00 57.90 58.06 1ubt n TYR 86 Cb 0.53 0.00 0.23 0.00 -0.00 0.00 0.00 39.34 40.10 1ubt n TYR 86 CO 0.00 0.00 0.00 1.79 -0.00 0.00 0.00 176.86 178.65 1ubt h THR 87 N 0.00 0.90 -0.00 2.97 1.35 -1.90 0.90 112.91 117.12 1ubt h THR 87 Ca 0.00 -0.33 -0.19 0.00 -0.55 0.00 0.00 66.41 65.34 1ubt h THR 87 Cb 0.00 -0.13 -0.01 0.00 -1.73 0.00 0.00 68.15 66.28 1ubt h THR 87 CO 0.00 0.17 -0.85 0.45 -0.25 0.00 0.00 175.52 175.04 1ubt h HIS 88 N 0.95 0.29 -0.85 4.73 3.86 -1.85 0.05 115.15 122.33 1ubt h HIS 88 Ca 0.49 -0.16 -0.01 0.00 -1.16 0.00 0.00 60.37 59.53 1ubt h HIS 88 Cb 0.49 -0.03 -0.04 0.00 1.06 0.00 0.00 27.41 28.89 1ubt h HIS 88 CO -0.01 0.96 0.48 0.00 0.86 0.00 0.00 177.93 180.21 1ubt h ALA 89 N 0.99 1.09 -0.35 2.45 0.00 -1.31 0.25 119.26 122.39 1ubt h ALA 89 Ca -0.04 -0.12 -0.06 0.00 0.00 0.00 0.00 54.91 54.69 1ubt h ALA 89 Cb 1.47 -0.34 -0.01 0.00 0.00 0.00 0.00 17.79 18.90 1ubt h ALA 89 CO 0.13 0.59 -0.00 1.25 0.00 0.00 0.00 179.25 181.22 1ubt h LEU 90 N 1.18 0.62 -0.61 0.00 5.85 -0.71 -0.36 115.31 121.28 1ubt h LEU 90 Ca 0.30 -0.31 -0.05 0.00 0.84 0.00 0.00 57.88 58.66 1ubt h LEU 90 Cb 0.02 -0.17 -0.03 0.00 0.37 0.00 0.00 40.66 40.85 1ubt h LEU 90 CO -0.05 0.78 0.20 0.00 -0.34 0.00 0.00 178.44 179.03 1ubt h ALA 91 N 0.86 0.80 -0.41 1.25 0.00 -0.73 0.15 119.26 121.19 1ubt h ALA 91 Ca 0.10 -0.20 -0.15 0.00 0.00 0.00 0.00 54.91 54.67 1ubt h ALA 91 Cb 0.46 -0.24 -0.01 0.00 0.00 0.00 0.00 17.79 18.01 1ubt h ALA 91 CO 0.02 0.46 -0.32 0.77 0.00 0.00 0.00 179.25 180.19 1ubt h SER 92 N 0.87 0.97 -0.53 0.00 0.02 -0.85 0.28 113.55 114.30 1ubt h SER 92 Ca 0.20 -0.41 -0.11 0.00 -0.84 0.00 0.00 61.79 60.63 1ubt h SER 92 Cb 0.27 -0.27 -0.02 0.00 0.14 0.00 0.00 62.40 62.52 1ubt h SER 92 CO -0.01 1.19 -0.09 0.74 -1.14 0.00 0.00 176.83 177.52 1ubt h THR 93 N 0.77 1.27 -0.98 -2.27 2.02 -0.87 0.81 112.91 113.66 1ubt h THR 93 Ca 0.08 -1.24 0.03 0.00 0.77 0.00 0.00 66.41 66.04 1ubt h THR 93 Cb 0.89 0.94 -0.05 0.00 -1.74 0.00 0.00 68.15 68.19 1ubt h THR 93 CO 0.08 0.44 0.64 0.03 0.37 0.00 0.00 175.52 177.09 1ubt h ARG 94 N 0.91 1.23 -0.11 6.66 3.08 -0.56 0.28 114.38 125.87 1ubt h ARG 94 Ca 0.14 -0.07 -0.01 0.00 0.07 0.00 0.00 59.98 60.11 1ubt h ARG 94 Cb 0.65 -0.28 -0.00 0.00 0.08 0.00 0.00 29.97 30.42 1ubt h ARG 94 CO 0.05 0.81 0.03 0.00 -1.07 0.00 0.00 179.97 179.79 1ubt h VAL 96 N -0.03 1.42 -0.56 0.00 2.07 -0.64 -0.64 116.25 117.87 1ubt h VAL 96 Ca 0.03 -2.40 0.11 0.00 0.82 0.00 0.00 66.70 65.26 1ubt h VAL 96 Cb 0.25 2.34 -0.09 0.00 -1.52 0.00 0.00 31.29 32.27 1ubt h VAL 96 CO 0.00 0.71 0.06 0.44 0.02 0.00 0.00 177.57 178.81 1ubt h ASP 97 N 0.21 -0.11 -0.53 0.57 3.45 -0.42 -1.05 116.42 118.54 1ubt h ASP 97 Ca -0.05 0.12 -0.04 0.00 0.43 0.00 0.00 57.03 57.48 1ubt h ASP 97 Cb 1.47 0.19 -0.02 0.00 -0.56 0.00 0.00 39.33 40.41 1ubt h ASP 97 CO 0.14 -0.04 0.17 -1.13 -1.57 0.00 0.00 179.24 176.81 1ubt h ASN 98 N 0.19 0.77 -0.41 6.45 -0.73 -0.92 -1.33 115.58 119.59 1ubt h ASN 98 Ca 0.29 -0.20 -0.07 0.00 1.87 0.00 0.00 56.30 58.19 1ubt h ASN 98 Cb 0.44 -0.20 -0.02 0.00 0.27 0.00 0.00 38.32 38.81 1ubt h ASN 98 CO -0.42 0.77 0.03 0.00 -0.37 0.00 0.00 177.43 177.44 1ubt h ALA 99 N 1.03 1.14 0.00 1.57 0.00 -0.43 -2.57 119.26 119.99 1ubt h ALA 99 Ca 0.17 -0.25 0.00 0.00 0.00 0.00 0.00 54.91 54.83 1ubt h ALA 99 Cb 0.27 -0.20 0.00 0.00 0.00 0.00 0.00 17.79 17.87 1ubt h ALA 99 CO -0.01 0.56 -0.25 0.28 0.00 0.00 0.00 179.25 179.84 1ubt n VAL 100 N -4.23 0.20 -1.61 0.00 0.31 -0.46 -4.72 118.33 107.82 1ubt n VAL 100 Ca 0.03 -0.12 -0.07 0.00 -0.01 0.00 0.00 64.34 64.17 1ubt n VAL 100 Cb 0.28 -0.26 -0.02 0.00 -0.91 0.00 0.00 33.84 32.93 1ubt n VAL 100 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 1ubt n GLY 101 N 1.43 0.53 3.82 2.92 0.00 -0.56 -4.75 105.19 108.58 1ubt n GLY 101 Ca 0.06 -0.69 -0.38 0.00 0.00 0.00 0.00 46.02 45.01 1ubt n GLY 101 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1ubt s VAL 102 N -2.28 4.73 -0.38 1.61 0.11 -0.85 -5.03 120.40 118.30 1ubt s VAL 102 Ca 0.00 1.17 -0.07 0.00 -2.93 0.00 0.00 61.98 60.15 1ubt s VAL 102 Cb 0.00 -3.87 0.07 0.00 -1.53 0.00 0.00 36.38 31.05 1ubt s VAL 102 CO 0.00 0.45 0.18 -1.00 -3.33 0.00 0.00 175.10 171.40 1ubt s HIS 103 N -1.23 3.34 0.70 1.54 0.09 -1.26 -4.66 115.29 113.81 1ubt s HIS 103 Ca 0.33 -1.66 -0.12 0.00 -0.00 0.00 0.00 55.06 53.60 1ubt s HIS 103 Cb -0.18 -2.70 0.01 0.00 -0.00 0.00 0.00 32.58 29.71 1ubt s HIS 103 CO 0.20 -0.82 1.08 0.96 -0.00 0.00 0.00 174.74 176.15 1ubt s ILE 104 N 1.36 3.62 0.80 0.60 -4.36 -1.26 -4.88 121.20 117.07 1ubt s ILE 104 Ca 0.02 0.61 -0.13 0.00 -0.26 0.00 0.00 60.65 60.88 1ubt s ILE 104 Cb -0.21 -3.18 0.08 0.00 1.25 0.00 0.00 42.46 40.39 1ubt s ILE 104 CO 0.01 -0.61 1.18 -2.84 0.24 0.00 0.00 174.94 172.93 1ubt s PRO 105 N -4.65 1.72 0.28 0.37 0.02 -1.26 -4.82 135.00 126.65 1ubt s PRO 105 Ca 0.62 1.67 0.01 0.00 0.02 0.00 0.00 61.00 63.32 1ubt s PRO 105 Cb -0.17 -1.79 0.60 0.00 0.02 0.00 0.00 34.50 33.16 1ubt s PRO 105 CO 0.50 -2.14 1.77 0.87 -0.33 0.00 0.00 177.00 177.67 1ubt h LYS 106 N -0.92 0.69 -0.15 5.54 1.57 -1.93 -1.13 116.57 120.23 1ubt h LYS 106 Ca -0.46 -0.04 -0.10 0.00 -1.87 0.00 0.00 60.65 58.18 1ubt h LYS 106 Cb 1.28 -0.15 -0.01 0.00 0.08 0.00 0.00 32.23 33.43 1ubt h LYS 106 CO 0.47 0.45 -0.34 -0.91 -0.57 0.00 0.00 179.45 178.55 1ubt h ASN 107 N 0.71 0.32 -0.67 0.86 2.35 -1.91 -0.72 115.58 116.52 1ubt h ASN 107 Ca 0.50 -0.12 -0.07 0.00 -0.55 0.00 0.00 56.30 56.07 1ubt h ASN 107 Cb 0.72 -0.09 -0.03 0.00 0.05 0.00 0.00 38.32 38.97 1ubt h ASN 107 CO -0.36 0.64 0.14 0.00 -1.65 0.00 0.00 177.43 176.20 1ubt h ALA 108 N 1.38 0.88 -0.56 -0.83 0.00 -1.42 0.42 119.26 119.14 1ubt h ALA 108 Ca 0.03 -0.25 -0.02 0.00 0.00 0.00 0.00 54.91 54.68 1ubt h ALA 108 Cb 0.73 -0.25 -0.03 0.00 0.00 0.00 0.00 17.79 18.24 1ubt h ALA 108 CO 0.06 0.61 0.28 1.15 0.00 0.00 0.00 179.25 181.35 1ubt h THR 109 N 1.00 1.20 -0.21 0.00 2.02 -0.97 0.64 112.91 116.59 1ubt h THR 109 Ca 0.21 -0.54 -0.00 0.00 0.77 0.00 0.00 66.41 66.85 1ubt h THR 109 Cb 0.39 0.53 -0.01 0.00 -1.74 0.00 0.00 68.15 67.32 1ubt h THR 109 CO 0.01 0.22 0.11 1.88 0.37 0.00 0.00 175.52 178.11 1ubt h TYR 110 N 0.75 0.28 -0.34 3.16 0.99 -0.88 0.22 116.97 121.15 1ubt h TYR 110 Ca 0.19 -0.01 -0.08 0.00 2.00 0.00 0.00 58.73 60.84 1ubt h TYR 110 Cb 0.09 -0.09 -0.01 0.00 1.00 0.00 0.00 36.73 37.72 1ubt h TYR 110 CO -0.01 0.25 -0.09 0.82 -0.00 0.00 0.00 178.16 179.14 1ubt h ILE 111 N 0.23 1.28 -1.00 -2.88 2.04 -0.76 0.59 117.51 117.01 1ubt h ILE 111 Ca 0.07 -1.15 0.04 0.00 1.00 0.00 0.00 64.86 64.82 1ubt h ILE 111 Cb 0.06 1.32 -0.06 0.00 -0.74 0.00 0.00 36.82 37.40 1ubt h ILE 111 CO -0.01 0.38 0.66 0.03 0.00 0.00 0.00 178.15 179.20 1ubt h ARG 112 N 0.46 1.23 -0.47 2.37 3.08 -0.78 -1.55 114.38 118.71 1ubt h ARG 112 Ca 0.09 -0.07 -0.13 0.00 0.07 0.00 0.00 59.98 59.93 1ubt h ARG 112 Cb 0.59 -0.28 -0.01 0.00 0.08 0.00 0.00 29.97 30.35 1ubt h ARG 112 CO 0.03 0.81 -0.22 -0.91 -1.07 0.00 0.00 179.97 178.62 1ubt h ASN 113 N 1.27 0.99 -0.55 7.04 -0.26 -0.53 -2.24 115.58 121.30 1ubt h ASN 113 Ca 0.40 -0.38 -0.10 0.00 -0.56 0.00 0.00 56.30 55.67 1ubt h ASN 113 Cb 0.00 -0.27 -0.02 0.00 -1.06 0.00 0.00 38.32 36.97 1ubt h ASN 113 CO -0.13 1.17 -0.03 -0.07 -1.06 0.00 0.00 177.43 177.31 1ubt h LEU 114 N 0.84 0.99 -0.89 1.61 3.38 -0.54 0.11 115.31 120.81 1ubt h LEU 114 Ca 0.11 -0.29 -0.09 0.00 0.09 0.00 0.00 57.88 57.70 1ubt h LEU 114 Cb 0.79 -0.27 -0.02 0.00 0.09 0.00 0.00 40.66 41.26 1ubt h LEU 114 CO 0.07 1.06 -0.19 0.58 0.09 0.00 0.00 178.44 180.05 1ubt h VAL 115 N 0.92 1.26 -0.41 1.22 2.07 -1.23 -1.51 116.25 118.56 1ubt h VAL 115 Ca 0.16 -1.21 -0.08 0.00 0.82 0.00 0.00 66.70 66.39 1ubt h VAL 115 Cb 0.57 1.21 -0.01 0.00 -1.52 0.00 0.00 31.29 31.54 1ubt h VAL 115 CO 0.03 0.40 -0.05 0.25 0.02 0.00 0.00 177.57 178.22 1ubt h LEU 116 N 0.55 0.75 -0.83 2.57 5.85 -1.02 -0.93 115.31 122.25 1ubt h LEU 116 Ca 0.09 -0.33 -0.01 0.00 0.84 0.00 0.00 57.88 58.47 1ubt h LEU 116 Cb 0.63 -0.20 -0.04 0.00 0.37 0.00 0.00 40.66 41.41 1ubt h LEU 116 CO 0.04 0.91 0.49 1.23 -0.34 0.00 0.00 178.44 180.77 1ubt h GLY 117 N 0.58 1.21 1.19 3.75 0.00 -0.53 -1.28 103.07 107.99 1ubt h GLY 117 Ca 0.11 -0.51 -0.02 0.00 0.00 0.00 0.00 47.33 46.91 1ubt h GLY 117 CO 0.03 0.50 0.40 0.00 0.00 0.00 0.00 176.54 177.46 1ubt h ALA 118 N 1.26 1.27 -0.41 3.60 0.00 -1.07 -2.40 119.26 121.51 1ubt h ALA 118 Ca 0.30 -0.13 0.01 0.00 0.00 0.00 0.00 54.91 55.09 1ubt h ALA 118 Cb -0.03 -0.30 -0.02 0.00 0.00 0.00 0.00 17.79 17.43 1ubt h ALA 118 CO -0.05 0.58 0.26 0.37 0.00 0.00 0.00 179.25 180.40 1ubt h GLN 119 N 1.06 0.51 -0.94 0.00 5.75 -0.46 -1.74 115.11 119.29 1ubt h GLN 119 Ca 0.27 -0.03 0.04 0.00 -0.15 0.00 0.00 58.65 58.78 1ubt h GLN 119 Cb 0.06 -0.11 -0.06 0.00 1.07 0.00 0.00 27.48 28.43 1ubt h GLN 119 CO -0.04 0.33 0.61 1.88 -2.65 0.00 0.00 178.83 178.96 1ubt h TYR 120 N 0.52 1.14 -0.28 3.99 -1.99 -0.79 -0.59 116.97 118.97 1ubt h TYR 120 Ca 0.16 0.03 -0.08 0.00 2.00 0.00 0.00 58.73 60.84 1ubt h TYR 120 Cb -0.02 -0.38 -0.01 0.00 2.00 0.00 0.00 36.73 38.33 1ubt h TYR 120 CO -0.06 0.64 -0.12 -0.07 -0.00 0.00 0.00 178.16 178.55 1ubt h LEU 121 N 1.16 0.59 -0.11 3.88 3.38 -0.98 -1.07 115.31 122.17 1ubt h LEU 121 Ca 0.38 -0.40 0.02 0.00 0.09 0.00 0.00 57.88 57.98 1ubt h LEU 121 Cb 0.04 -0.16 -0.02 0.00 0.09 0.00 0.00 40.66 40.60 1ubt h LEU 121 CO -0.13 0.86 -0.04 -0.74 0.09 0.00 0.00 178.44 178.48 1ubt h HIS 122 N 0.33 -0.08 0.13 1.13 2.76 -1.12 -2.12 115.15 116.18 1ubt h HIS 122 Ca 0.07 0.01 -0.01 0.00 -2.20 0.00 0.00 60.37 58.24 1ubt h HIS 122 Cb 0.63 0.05 0.00 0.00 1.55 0.00 0.00 27.41 29.64 1ubt h HIS 122 CO 0.06 -0.06 -0.06 0.22 -1.30 0.00 0.00 177.93 176.78 1ubt h ASP 123 N -0.02 -0.15 -0.05 3.26 1.82 -1.01 -1.92 116.42 118.35 1ubt h ASP 123 Ca 0.06 -0.12 -0.11 0.00 -0.39 0.00 0.00 57.03 56.46 1ubt h ASP 123 Cb 0.10 0.04 -0.01 0.00 0.68 0.00 0.00 39.33 40.14 1ubt h ASP 123 CO -0.12 0.03 -0.32 0.45 -1.61 0.00 0.00 179.24 177.67 1ubt h HIS 124 N -0.33 0.60 -0.31 0.28 3.86 -1.21 0.11 115.15 118.15 1ubt h HIS 124 Ca -0.02 -0.15 -0.03 0.00 -1.16 0.00 0.00 60.37 59.02 1ubt h HIS 124 Cb 0.27 -0.14 -0.01 0.00 1.06 0.00 0.00 27.41 28.59 1ubt h HIS 124 CO -0.02 0.79 0.09 0.82 0.86 0.00 0.00 177.93 180.47 1ubt h ILE 125 N 0.45 1.20 -0.74 2.45 2.04 -1.26 -1.58 117.51 120.07 1ubt h ILE 125 Ca 0.05 -0.66 -0.05 0.00 1.00 0.00 0.00 64.86 65.20 1ubt h ILE 125 Cb 0.78 1.06 -0.03 0.00 -0.74 0.00 0.00 36.82 37.89 1ubt h ILE 125 CO 0.06 0.22 0.28 0.58 0.00 0.00 0.00 178.15 179.30 1ubt h VAL 126 N 0.34 1.25 0.30 1.67 2.07 -1.14 -2.61 116.25 118.12 1ubt h VAL 126 Ca 0.10 -0.81 -0.01 0.00 0.82 0.00 0.00 66.70 66.80 1ubt h VAL 126 Cb 0.25 0.38 0.00 0.00 -1.52 0.00 0.00 31.29 30.40 1ubt h VAL 126 CO -0.00 0.33 -0.14 -0.74 0.02 0.00 0.00 177.57 177.03 1ubt h HIS 127 N 1.08 -0.37 -0.11 1.57 -0.00 -0.55 0.23 115.15 117.01 1ubt h HIS 127 Ca 0.25 -0.01 0.00 0.00 -0.00 0.00 0.00 60.37 60.61 1ubt h HIS 127 Cb 0.22 0.12 -0.01 0.00 -0.00 0.00 0.00 27.41 27.75 1ubt h HIS 127 CO 0.02 -0.23 0.06 0.35 -0.00 0.00 0.00 177.93 178.13 1ubt h PHE 128 N -0.40 0.11 0.01 5.26 3.04 -1.19 0.30 116.94 124.07 1ubt h PHE 128 Ca -0.04 0.00 -0.00 0.00 3.98 0.00 0.00 57.97 61.91 1ubt h PHE 128 Cb 0.31 -0.04 0.00 0.00 2.56 0.00 0.00 35.95 38.78 1ubt h PHE 128 CO -0.06 0.07 -0.00 1.88 -2.02 0.00 0.00 178.31 178.18 1ubt h TYR 129 N 0.13 -0.01 0.00 0.41 0.05 -1.45 0.45 116.97 116.54 1ubt h TYR 129 Ca 0.04 -0.00 -0.06 0.00 0.05 0.00 0.00 58.73 58.76 1ubt h TYR 129 Cb -0.00 0.00 -0.01 0.00 1.01 0.00 0.00 36.73 37.73 1ubt h TYR 129 CO -0.08 0.71 -1.20 0.72 -1.05 0.00 0.00 178.16 177.26 1ubt n HIS 130 N -4.67 0.92 -0.10 4.88 8.25 0.77 -3.58 115.22 121.69 1ubt n HIS 130 Ca -0.07 0.28 -0.17 0.00 -0.26 0.00 0.00 57.72 57.50 1ubt n HIS 130 Cb 0.35 -0.98 -0.08 0.00 1.12 0.00 0.00 29.99 30.40 1ubt n HIS 130 CO 0.00 0.00 0.00 1.28 0.64 0.00 0.00 176.34 178.26 1ubt n LEU 131 N -2.73 2.23 0.02 2.41 4.77 -0.87 -4.85 117.00 117.98 1ubt n LEU 131 Ca -0.04 0.06 -0.22 0.00 -0.03 0.00 0.00 56.01 55.79 1ubt n LEU 131 Cb 0.65 -0.62 -0.14 0.00 -2.33 0.00 0.00 43.42 40.98 1ubt n LEU 131 CO 0.41 0.62 -0.72 -0.74 -1.33 0.00 0.00 177.39 175.63 1ubt h HIS 132 N -0.34 0.52 0.00 -1.77 2.76 -0.43 -3.41 115.15 112.48 1ubt h HIS 132 Ca -0.46 -0.38 -0.02 0.00 -2.20 0.00 0.00 60.37 57.30 1ubt h HIS 132 Cb 1.55 -0.02 -0.00 0.00 1.55 0.00 0.00 27.41 30.48 1ubt h HIS 132 CO -0.02 1.75 -0.12 0.00 -1.30 0.00 0.00 177.93 178.24 1ubt h ALA 133 N 0.06 1.57 0.00 5.26 0.00 -0.95 -0.33 119.26 124.86 1ubt h ALA 133 Ca -0.40 -0.10 0.00 0.00 0.00 0.00 0.00 54.91 54.41 1ubt h ALA 133 Cb 2.02 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 19.79 1ubt h ALA 133 CO 0.10 0.14 0.00 1.28 0.00 0.00 0.00 179.25 180.77 1ubt n LEU 134 N -4.06 0.00 0.11 0.00 4.77 -1.26 -0.66 117.00 115.90 1ubt n LEU 134 Ca -0.02 0.47 0.12 0.00 -0.03 0.00 0.00 56.01 56.55 1ubt n LEU 134 Cb 0.20 -0.47 0.45 0.00 -2.33 0.00 0.00 43.42 41.27 1ubt n LEU 134 CO 0.33 -0.30 0.87 0.47 -1.33 0.00 0.00 177.39 177.43 1ubt n ASP 135 N -1.47 0.71 0.00 -1.43 8.00 -0.14 -4.23 116.55 117.99 1ubt n ASP 135 Ca 0.03 0.62 0.00 0.00 0.71 0.00 0.00 54.79 56.14 1ubt n ASP 135 Cb 0.12 -0.79 0.00 0.00 -0.02 0.00 0.00 41.12 40.43 1ubt n ASP 135 CO 0.00 0.00 0.00 0.49 -0.39 0.00 0.00 177.20 177.30 1ubt n PHE 136 N -2.22 0.00 -4.12 1.24 3.01 0.12 -4.95 117.46 110.54 1ubt n PHE 136 Ca 0.04 0.00 -0.35 0.00 1.01 0.00 0.00 57.45 58.15 1ubt n PHE 136 Cb 0.33 0.00 -0.12 0.00 -0.01 0.00 0.00 39.48 39.67 1ubt n PHE 136 CO 0.00 0.00 0.00 0.08 1.01 0.00 0.00 176.76 177.85 1ubt s VAL 137 N -0.97 3.95 -0.69 -4.37 1.01 0.17 -4.57 120.40 114.92 1ubt s VAL 137 Ca 0.00 -0.32 -0.20 0.00 0.00 0.00 0.00 61.98 61.46 1ubt s VAL 137 Cb 0.00 -2.78 0.10 0.00 0.00 0.00 0.00 36.38 33.70 1ubt s VAL 137 CO 0.00 0.44 0.88 -0.62 0.00 0.00 0.00 175.10 175.80 1ubt s ASP 138 N 0.89 6.28 0.28 3.32 -1.08 -1.26 -4.67 116.67 120.43 1ubt s ASP 138 Ca 0.01 -1.42 -0.02 0.00 -0.52 0.00 0.00 52.55 50.60 1ubt s ASP 138 Cb -0.14 -2.36 0.39 0.00 -1.46 0.00 0.00 42.92 39.35 1ubt s ASP 138 CO 0.02 -1.22 1.88 0.58 0.52 0.00 0.00 175.17 176.95 1ubt h VAL 139 N 5.88 1.22 0.00 1.11 2.07 -1.95 -2.49 116.25 122.09 1ubt h VAL 139 Ca -0.20 -0.64 -0.05 0.00 0.82 0.00 0.00 66.70 66.63 1ubt h VAL 139 Cb 1.07 0.36 -0.01 0.00 -1.52 0.00 0.00 31.29 31.19 1ubt h VAL 139 CO 1.12 0.27 -0.26 0.71 0.02 0.00 0.00 177.57 179.43 1ubt h THR 140 N 0.97 0.80 0.00 2.57 1.35 -1.96 -2.39 112.91 114.26 1ubt h THR 140 Ca 0.23 -1.06 0.00 0.00 -0.55 0.00 0.00 66.41 65.04 1ubt h THR 140 Cb 0.12 1.65 0.00 0.00 -1.73 0.00 0.00 68.15 68.18 1ubt h THR 140 CO -0.03 0.26 0.00 0.00 -0.25 0.00 0.00 175.52 175.50 1ubt h ALA 141 N 1.74 1.00 -0.10 6.62 0.00 -1.83 -2.36 119.26 124.32 1ubt h ALA 141 Ca -0.00 0.00 0.03 0.00 0.00 0.00 0.00 54.91 54.94 1ubt h ALA 141 Cb 0.63 0.00 -0.00 0.00 0.00 0.00 0.00 17.79 18.41 1ubt h ALA 141 CO 0.03 0.00 0.10 0.00 0.00 0.00 0.00 179.25 179.39 1ubt h ALA 142 N 2.01 1.72 0.00 0.00 0.00 -1.44 -1.38 119.26 120.17 1ubt h ALA 142 Ca 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 1ubt h ALA 142 Cb 0.50 0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.30 1ubt h ALA 142 CO 0.00 -0.15 0.00 -0.07 0.00 0.00 0.00 179.25 179.03 1ubt h LEU 143 N 0.00 0.00 -1.61 0.00 4.07 -1.57 -2.62 115.31 113.58 1ubt h LEU 143 Ca 0.05 0.00 0.00 0.00 0.08 0.00 0.00 57.88 58.01 1ubt h LEU 143 Cb 0.25 0.00 0.00 0.00 1.08 0.00 0.00 40.66 41.99 1ubt h LEU 143 CO -0.00 0.00 -0.02 2.29 -1.08 0.00 0.00 178.44 179.63 1ubt n LYS 144 N -3.04 2.08 -1.68 1.13 -0.00 -0.52 -4.98 118.16 111.16 1ubt n LYS 144 Ca 0.00 -1.61 -0.32 0.00 -0.00 0.00 0.00 58.31 56.38 1ubt n LYS 144 Cb 0.27 -1.47 0.05 0.00 -0.00 0.00 0.00 35.03 33.88 1ubt n LYS 144 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40 1ubt s ALA 145 N -2.02 2.49 -0.43 0.58 0.00 -0.99 -4.97 121.76 116.41 1ubt s ALA 145 Ca 0.30 0.41 -0.22 0.00 0.00 0.00 0.00 51.96 52.46 1ubt s ALA 145 Cb 0.20 -3.28 0.02 0.00 0.00 0.00 0.00 23.12 20.06 1ubt s ALA 145 CO 0.32 -1.29 0.72 0.34 0.00 0.00 0.00 175.76 175.85 1ubt s ASP 146 N -2.91 6.39 0.44 0.00 -1.08 -1.26 -4.95 116.67 113.30 1ubt s ASP 146 Ca 0.64 -0.14 0.19 0.00 -0.52 0.00 0.00 52.55 52.72 1ubt s ASP 146 Cb -0.18 -2.36 1.02 0.00 -1.46 0.00 0.00 42.92 39.94 1ubt s ASP 146 CO 0.45 -0.83 1.93 1.55 0.52 0.00 0.00 175.17 178.79 1ubt h PRO 147 N 8.87 0.00 -0.37 4.34 0.13 -1.94 0.51 132.00 143.54 1ubt h PRO 147 Ca -0.25 0.00 -0.08 0.00 -0.87 0.00 0.00 66.00 64.80 1ubt h PRO 147 Cb 1.09 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.21 1ubt h PRO 147 CO 0.92 0.25 -0.08 0.00 -0.23 0.00 0.00 178.00 178.86 1ubt h ALA 148 N 1.75 0.51 -0.49 -0.56 0.00 -1.93 0.87 119.26 119.41 1ubt h ALA 148 Ca -0.00 -0.30 -0.07 0.00 0.00 0.00 0.00 54.91 54.53 1ubt h ALA 148 Cb 0.51 -0.13 -0.02 0.00 0.00 0.00 0.00 17.79 18.15 1ubt h ALA 148 CO 0.03 0.35 0.03 -0.22 0.00 0.00 0.00 179.25 179.44 1ubt h LYS 149 N 0.50 0.84 -0.78 0.00 3.64 -1.84 -2.59 116.57 116.35 1ubt h LYS 149 Ca 0.09 -0.25 -0.01 0.00 -1.27 0.00 0.00 60.65 59.21 1ubt h LYS 149 Cb 0.59 -0.08 -0.04 0.00 -0.41 0.00 0.00 32.23 32.29 1ubt h LYS 149 CO 0.03 0.87 0.44 0.00 -2.27 0.00 0.00 179.45 178.52 1ubt h ALA 150 N 0.94 1.00 -0.84 5.00 0.00 -0.80 -2.00 119.26 122.57 1ubt h ALA 150 Ca 0.14 -0.11 -0.02 0.00 0.00 0.00 0.00 54.91 54.92 1ubt h ALA 150 Cb 0.47 -0.31 -0.04 0.00 0.00 0.00 0.00 17.79 17.91 1ubt h ALA 150 CO 0.02 0.50 0.45 0.00 0.00 0.00 0.00 179.25 180.22 1ubt h ALA 151 N 1.23 1.21 -0.68 0.00 0.00 -0.62 -0.51 119.26 119.89 1ubt h ALA 151 Ca 0.28 -0.13 -0.05 0.00 0.00 0.00 0.00 54.91 55.01 1ubt h ALA 151 Cb 0.02 -0.34 -0.03 0.00 0.00 0.00 0.00 17.79 17.44 1ubt h ALA 151 CO -0.05 0.63 0.22 0.87 0.00 0.00 0.00 179.25 180.93 1ubt h LYS 152 N 1.17 1.05 -0.15 0.00 1.57 -1.10 -0.47 116.57 118.64 1ubt h LYS 152 Ca 0.29 -0.22 -0.01 0.00 -1.87 0.00 0.00 60.65 58.85 1ubt h LYS 152 Cb 0.04 -0.15 -0.01 0.00 0.08 0.00 0.00 32.23 32.19 1ubt h LYS 152 CO -0.05 0.90 0.06 0.28 -0.57 0.00 0.00 179.45 180.08 1ubt h VAL 153 N 0.99 1.16 -0.71 0.50 2.07 -0.96 -1.41 116.25 117.88 1ubt h VAL 153 Ca 0.22 -0.47 0.00 0.00 0.82 0.00 0.00 66.70 67.27 1ubt h VAL 153 Cb 0.28 1.19 -0.03 0.00 -1.52 0.00 0.00 31.29 31.21 1ubt h VAL 153 CO -0.01 0.15 0.44 0.00 0.02 0.00 0.00 177.57 178.17 1ubt h ALA 154 N 0.90 1.44 0.00 1.67 0.00 -0.86 -1.61 119.26 120.80 1ubt h ALA 154 Ca 0.05 -0.07 0.00 0.00 0.00 0.00 0.00 54.91 54.89 1ubt h ALA 154 Cb 0.18 -0.29 0.00 0.00 0.00 0.00 0.00 17.79 17.68 1ubt h ALA 154 CO -0.00 0.49 0.00 0.77 0.00 0.00 0.00 179.25 180.51 1ubt h SER 155 N 0.97 0.00 1.64 0.00 0.02 -0.90 -3.02 113.55 112.27 1ubt h SER 155 Ca 0.26 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.21 1ubt h SER 155 Cb -0.07 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.47 1ubt h SER 155 CO -0.05 0.00 -0.22 0.77 -1.14 0.00 0.00 176.83 176.18 1ubt h SER 156 N 0.00 0.00 -0.00 3.07 4.64 -0.24 -3.33 113.55 117.68 1ubt h SER 156 Ca 0.00 -0.02 0.00 0.00 -0.47 0.00 0.00 61.79 61.30 1ubt h SER 156 Cb 0.76 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.85 1ubt h SER 156 CO 0.00 0.01 -0.79 2.30 -0.87 0.00 0.00 176.83 177.48 1ubt n ILE 157 N -2.80 0.00 -3.94 0.95 -5.35 -1.12 -4.95 119.36 102.15 1ubt n ILE 157 Ca 0.04 -0.11 -0.10 0.00 -0.27 0.00 0.00 62.75 62.31 1ubt n ILE 157 Cb 0.51 1.08 -0.12 0.00 -1.74 0.00 0.00 39.64 39.37 1ubt n ILE 157 CO 0.00 0.00 0.00 -0.55 -1.76 0.00 0.00 176.55 174.24 1ubt s SER 158 N -2.73 0.17 0.58 7.28 0.15 -1.17 -4.75 113.70 113.23 1ubt s SER 158 Ca 0.11 -0.32 0.37 0.00 0.70 0.00 0.00 55.95 56.80 1ubt s SER 158 Cb 0.16 0.06 1.66 0.00 -1.71 0.00 0.00 66.02 66.19 1ubt s SER 158 CO 0.73 -0.19 2.09 1.55 1.20 0.00 0.00 173.24 178.62 1ubt h PRO 159 N 5.18 0.00 -6.24 5.44 0.13 -1.86 -3.41 132.00 131.24 1ubt h PRO 159 Ca -0.29 0.00 -0.55 0.00 -0.87 0.00 0.00 66.00 64.28 1ubt h PRO 159 Cb 1.21 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 32.32 1ubt h PRO 159 CO 0.45 0.00 0.99 0.50 -0.23 0.00 0.00 178.00 179.70 1ubt s ARG 160 N -3.79 4.21 -0.06 0.86 3.52 -1.26 -4.98 118.95 117.44 1ubt s ARG 160 Ca -0.01 1.97 -0.30 0.00 -0.13 0.00 0.00 55.73 57.27 1ubt s ARG 160 Cb 0.10 -3.85 -0.03 0.00 -1.56 0.00 0.00 34.95 29.61 1ubt s ARG 160 CO 0.50 -0.76 1.14 0.15 -0.81 0.00 0.00 175.30 175.52 1ubt s LYS 161 N 3.61 4.38 -0.10 5.12 -0.14 -1.26 -4.50 119.74 126.86 1ubt s LYS 161 Ca 0.65 1.59 0.04 0.00 -1.36 0.00 0.00 55.97 56.89 1ubt s LYS 161 Cb -0.29 -3.54 0.00 0.00 -1.68 0.00 0.00 37.83 32.32 1ubt s LYS 161 CO 0.24 -0.39 -0.23 0.99 -0.76 0.00 0.00 175.35 175.19 1ubt s THR 162 N 2.08 2.00 0.38 2.17 2.01 -1.26 -5.04 115.64 117.98 1ubt s THR 162 Ca 0.54 -0.99 0.08 0.00 0.31 0.00 0.00 61.69 61.62 1ubt s THR 162 Cb -0.23 -1.73 -0.02 0.00 0.01 0.00 0.00 72.50 70.53 1ubt s THR 162 CO 0.21 0.55 0.34 0.42 -0.69 0.00 0.00 174.62 175.45 1ubt s THR 163 N 0.33 3.05 0.25 -0.82 -4.23 -1.26 -4.64 115.64 108.32 1ubt s THR 163 Ca -0.18 -1.36 -0.04 0.00 -1.18 0.00 0.00 61.69 58.94 1ubt s THR 163 Cb -0.18 -3.08 0.24 0.00 1.34 0.00 0.00 72.50 70.83 1ubt s THR 163 CO 0.08 -0.08 1.86 0.00 -0.54 0.00 0.00 174.62 175.95 1ubt h ALA 164 N 1.13 1.29 -0.61 3.99 0.00 -1.87 -1.79 119.26 121.40 1ubt h ALA 164 Ca -0.43 -0.01 -0.07 0.00 0.00 0.00 0.00 54.91 54.40 1ubt h ALA 164 Cb 1.26 -0.26 -0.03 0.00 0.00 0.00 0.00 17.79 18.76 1ubt h ALA 164 CO 0.58 0.35 0.12 0.00 0.00 0.00 0.00 179.25 180.29 1ubt h ALA 165 N 1.43 1.06 -0.47 0.00 0.00 -1.95 0.13 119.26 119.47 1ubt h ALA 165 Ca 0.41 -0.24 0.07 0.00 0.00 0.00 0.00 54.91 55.15 1ubt h ALA 165 Cb 0.19 -0.24 -0.06 0.00 0.00 0.00 0.00 17.79 17.68 1ubt h ALA 165 CO -0.18 0.61 0.13 -0.44 0.00 0.00 0.00 179.25 179.38 1ubt h ASP 166 N 0.92 0.10 1.05 0.00 3.32 -1.74 -1.23 116.42 118.84 1ubt h ASP 166 Ca 0.19 0.07 -0.19 0.00 0.02 0.00 0.00 57.03 57.12 1ubt h ASP 166 Cb 0.37 0.07 -0.03 0.00 0.22 0.00 0.00 39.33 39.97 1ubt h ASP 166 CO 0.01 0.08 -0.97 -0.07 -1.72 0.00 0.00 179.24 176.57 1ubt h LEU 167 N 0.29 0.00 -1.13 1.55 3.38 -1.00 -3.03 115.31 115.37 1ubt h LEU 167 Ca 0.23 0.00 -0.04 0.00 0.09 0.00 0.00 57.88 58.16 1ubt h LEU 167 Cb 0.26 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 40.99 1ubt h LEU 167 CO -0.26 0.88 0.20 0.50 0.09 0.00 0.00 178.44 179.85 1ubt h LYS 168 N 0.00 0.81 -0.80 1.13 3.64 -0.44 -1.31 116.57 119.60 1ubt h LYS 168 Ca -0.04 -0.13 0.05 0.00 -1.27 0.00 0.00 60.65 59.26 1ubt h LYS 168 Cb 1.70 -0.14 -0.05 0.00 -0.41 0.00 0.00 32.23 33.33 1ubt h LYS 168 CO 0.11 0.68 0.50 0.00 -2.27 0.00 0.00 179.45 178.47 1ubt h ALA 169 N 1.42 1.07 -0.32 5.00 0.00 -1.11 0.16 119.26 125.49 1ubt h ALA 169 Ca 0.19 -0.01 -0.04 0.00 0.00 0.00 0.00 54.91 55.05 1ubt h ALA 169 Cb 0.19 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 17.74 1ubt h ALA 169 CO -0.01 0.26 0.06 0.28 0.00 0.00 0.00 179.25 179.84 1ubt h VAL 170 N 0.93 1.23 -0.74 0.00 2.07 -1.40 -2.18 116.25 116.16 1ubt h VAL 170 Ca 0.34 -0.79 0.03 0.00 0.82 0.00 0.00 66.70 67.10 1ubt h VAL 170 Cb 0.10 1.13 -0.05 0.00 -1.52 0.00 0.00 31.29 30.96 1ubt h VAL 170 CO -0.15 0.26 0.47 -0.61 0.02 0.00 0.00 177.57 177.56 1ubt h GLN 171 N 0.36 0.88 -0.63 1.57 4.15 -0.67 0.55 115.11 121.31 1ubt h GLN 171 Ca 0.10 -0.05 -0.07 0.00 0.77 0.00 0.00 58.65 59.39 1ubt h GLN 171 Cb 0.33 -0.20 -0.03 0.00 0.21 0.00 0.00 27.48 27.79 1ubt h GLN 171 CO 0.00 0.58 0.10 -0.44 -1.93 0.00 0.00 178.83 177.15 1ubt h ASP 172 N 0.91 0.98 -0.42 -0.69 3.45 -0.63 0.30 116.42 120.32 1ubt h ASP 172 Ca 0.30 -0.23 -0.06 0.00 0.43 0.00 0.00 57.03 57.47 1ubt h ASP 172 Cb 0.03 -0.26 -0.02 0.00 -0.56 0.00 0.00 39.33 38.52 1ubt h ASP 172 CO -0.11 0.98 0.03 0.50 -1.57 0.00 0.00 179.24 179.07 1ubt h LYS 173 N 0.97 0.72 -0.41 3.56 1.63 -0.88 -1.92 116.57 120.24 1ubt h LYS 173 Ca 0.19 -0.21 -0.12 0.00 -0.85 0.00 0.00 60.65 59.66 1ubt h LYS 173 Cb 0.42 -0.07 -0.01 0.00 -0.60 0.00 0.00 32.23 31.96 1ubt h LYS 173 CO 0.01 0.78 -0.24 1.25 -3.45 0.00 0.00 179.45 177.80 1ubt h LEU 174 N 0.57 0.86 -0.33 5.20 6.46 -0.60 -2.06 115.31 125.41 1ubt h LEU 174 Ca 0.12 -0.32 0.02 0.00 -0.12 0.00 0.00 57.88 57.58 1ubt h LEU 174 Cb 0.43 -0.24 -0.03 0.00 -0.73 0.00 0.00 40.66 40.10 1ubt h LEU 174 CO 0.01 1.06 0.17 0.50 -0.62 0.00 0.00 178.44 179.56 1ubt h LYS 175 N 0.72 0.34 -0.68 1.25 3.64 -0.13 0.12 116.57 121.83 1ubt h LYS 175 Ca 0.09 -0.02 -0.00 0.00 -1.27 0.00 0.00 60.65 59.45 1ubt h LYS 175 Cb 0.77 -0.08 -0.03 0.00 -0.41 0.00 0.00 32.23 32.48 1ubt h LYS 175 CO 0.06 0.22 0.42 1.15 -2.27 0.00 0.00 179.45 179.04 1ubt h THR 176 N 0.35 1.19 0.38 1.00 2.02 -1.15 -0.15 112.91 116.55 1ubt h THR 176 Ca 0.14 -0.41 -0.01 0.00 0.77 0.00 0.00 66.41 66.90 1ubt h THR 176 Cb 0.04 0.24 -0.01 0.00 -1.74 0.00 0.00 68.15 66.67 1ubt h THR 176 CO -0.09 0.20 -0.29 0.15 0.37 0.00 0.00 175.52 175.85 1ubt h PHE 177 N 0.93 -0.78 -0.70 3.16 3.04 -1.00 -2.64 116.94 118.95 1ubt h PHE 177 Ca 0.25 -0.00 -0.05 0.00 3.98 0.00 0.00 57.97 62.15 1ubt h PHE 177 Cb -0.04 0.29 -0.03 0.00 2.56 0.00 0.00 35.95 38.73 1ubt h PHE 177 CO -0.02 -0.44 0.25 0.28 -2.02 0.00 0.00 178.31 176.36 1ubt h VAL 178 N -0.67 1.25 0.00 1.41 2.07 -0.77 -2.36 116.25 117.18 1ubt h VAL 178 Ca -0.03 -0.84 0.00 0.00 0.82 0.00 0.00 66.70 66.65 1ubt h VAL 178 Cb 0.58 0.47 0.00 0.00 -1.52 0.00 0.00 31.29 30.83 1ubt h VAL 178 CO -0.01 0.33 0.00 -0.33 0.02 0.00 0.00 177.57 177.58 1ubt h GLU 179 N 1.02 0.00 0.00 1.57 5.08 -1.01 -1.34 114.58 119.91 1ubt h GLU 179 Ca 0.23 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.59 1ubt h GLU 179 Cb 0.26 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.51 1ubt h GLU 179 CO -0.01 0.00 0.00 0.25 -1.00 0.00 0.00 179.01 178.25 1ubt n THR 180 N -2.31 0.75 -0.21 1.13 -2.24 -0.89 -4.88 114.28 105.63 1ubt n THR 180 Ca 0.02 0.11 0.00 0.00 -2.27 0.00 0.00 64.05 61.91 1ubt n THR 180 Cb 0.21 -0.96 0.00 0.00 -2.10 0.00 0.00 70.33 67.49 1ubt n THR 180 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1ubt n GLY 181 N 0.39 2.29 3.33 3.38 0.00 -0.50 -4.96 105.19 109.11 1ubt n GLY 181 Ca 0.03 0.00 -0.46 0.00 0.00 0.00 0.00 46.02 45.59 1ubt n GLY 181 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1ubt s GLN 182 N -0.10 3.76 0.00 1.61 -0.21 -1.26 -4.88 119.66 118.58 1ubt s GLN 182 Ca 0.00 -2.70 0.29 0.00 0.02 0.00 0.00 55.36 52.97 1ubt s GLN 182 Cb 0.00 -4.45 1.29 0.00 1.00 0.00 0.00 33.01 30.85 1ubt s GLN 182 CO 0.00 -1.27 1.94 1.28 -2.12 0.00 0.00 175.29 175.12 1ubt n LEU 183 N 3.57 0.00 0.00 2.90 7.99 -1.26 -4.83 117.00 125.37 1ubt n LEU 183 Ca 0.17 0.43 0.00 0.00 -0.01 0.00 0.00 56.01 56.60 1ubt n LEU 183 Cb 0.44 -0.43 0.00 0.00 -0.11 0.00 0.00 43.42 43.32 1ubt n LEU 183 CO 0.37 -0.01 0.00 0.61 -1.51 0.00 0.00 177.39 176.85 1ubt n GLY 184 N 1.36 3.79 0.00 -0.72 0.00 -1.26 -0.64 105.19 107.72 1ubt n GLY 184 Ca 0.09 0.02 0.05 0.00 0.00 0.00 0.00 46.02 46.18 1ubt n GLY 184 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1ubt n PRO 185 N 14.00 0.06 -0.10 1.61 -0.05 -1.26 -1.48 135.00 147.78 1ubt n PRO 185 Ca 0.00 0.26 0.12 0.00 -0.05 0.00 0.00 63.50 63.83 1ubt n PRO 185 Cb 0.00 -1.50 0.22 0.00 -0.05 0.00 0.00 33.50 32.17 1ubt n PRO 185 CO 0.00 0.00 0.00 1.19 -0.05 0.00 0.00 175.50 176.64 1ubt n PHE 186 N -1.42 0.28 -1.68 0.54 3.72 0.19 -4.89 117.46 114.20 1ubt n PHE 186 Ca 0.04 -0.14 -0.46 0.00 -0.05 0.00 0.00 57.45 56.84 1ubt n PHE 186 Cb 0.11 0.00 -0.04 0.00 -0.94 0.00 0.00 39.48 38.61 1ubt n PHE 186 CO 0.00 0.00 0.00 2.41 -0.05 0.00 0.00 176.76 179.12 1ubt n THR 187 N 1.21 0.08 -1.73 4.37 -1.04 -0.55 -1.52 114.28 115.10 1ubt n THR 187 Ca 0.17 -0.01 -0.19 0.00 -2.04 0.00 0.00 64.05 61.98 1ubt n THR 187 Cb 0.55 -1.65 -0.07 0.00 -1.82 0.00 0.00 70.33 67.34 1ubt n THR 187 CO 0.00 0.00 0.00 0.59 -0.64 0.00 0.00 175.07 175.02 1ubt n ASN 188 N 3.92 -5.33 -4.63 8.00 5.03 -1.26 -4.94 115.26 116.05 1ubt n ASN 188 Ca 0.17 0.37 -0.38 0.00 0.87 0.00 0.00 54.58 55.61 1ubt n ASN 188 Cb 0.30 -4.48 0.04 0.00 -1.02 0.00 0.00 39.78 34.62 1ubt n ASN 188 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.26 175.43 1ubt n ALA 189 N 0.65 0.36 0.29 5.41 0.00 -0.57 -4.85 120.51 121.79 1ubt n ALA 189 Ca -0.20 0.06 0.16 0.00 0.00 0.00 0.00 53.44 53.46 1ubt n ALA 189 Cb 0.63 -2.14 0.89 0.00 0.00 0.00 0.00 19.45 18.84 1ubt n ALA 189 CO 0.00 0.00 0.00 1.88 0.00 0.00 0.00 177.50 179.38 1ubt h TYR 190 N 0.79 0.00 0.00 0.00 0.99 -1.92 -1.75 116.97 115.09 1ubt h TYR 190 Ca -0.48 0.00 0.00 0.00 2.00 0.00 0.00 58.73 60.25 1ubt h TYR 190 Cb 1.35 0.00 0.00 0.00 1.00 0.00 0.00 36.73 39.08 1ubt h TYR 190 CO 0.39 0.05 -0.30 1.97 -0.00 0.00 0.00 178.16 180.27 1ubt n PHE 191 N -3.52 0.30 -1.75 4.88 1.16 -1.26 -4.67 117.46 112.60 1ubt n PHE 191 Ca -0.02 0.09 -0.42 0.00 -1.87 0.00 0.00 57.45 55.23 1ubt n PHE 191 Cb 0.16 -0.54 -0.03 0.00 -1.61 0.00 0.00 39.48 37.46 1ubt n PHE 191 CO 0.00 0.00 0.00 -0.51 -1.87 0.00 0.00 176.76 174.38 1ubt s LEU 192 N -3.57 4.37 0.00 5.98 1.43 -0.66 -0.62 118.68 125.61 1ubt s LEU 192 Ca 0.11 2.87 0.00 0.00 -1.03 0.00 0.00 54.13 56.07 1ubt s LEU 192 Cb 0.16 -3.60 0.00 0.00 0.03 0.00 0.00 46.19 42.78 1ubt s LEU 192 CO 0.64 -0.96 0.00 0.61 0.23 0.00 0.00 176.35 176.87 1ubt n GLY 193 N 3.69 1.34 0.00 -3.19 0.00 -1.26 -4.81 105.19 100.96 1ubt n GLY 193 Ca 0.15 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.17 1ubt n GLY 193 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1ubt n GLY 194 N -2.00 -0.10 3.55 -0.02 0.00 0.21 -5.10 105.19 101.73 1ubt n GLY 194 Ca 0.00 -1.59 -0.09 0.00 0.00 0.00 0.00 46.02 44.33 1ubt n GLY 194 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 173.32 171.74 1ubt s HIS 195 N -2.96 -0.90 0.53 1.61 5.04 -1.26 -4.84 115.29 112.52 1ubt s HIS 195 Ca 0.00 1.88 0.33 0.00 -1.54 0.00 0.00 55.06 55.73 1ubt s HIS 195 Cb 0.00 0.48 1.87 0.00 0.04 0.00 0.00 32.58 34.96 1ubt s HIS 195 CO 0.00 -0.45 2.22 -1.00 -2.34 0.00 0.00 174.74 173.17 1ubt h PRO 196 N 6.61 0.00 -0.14 2.88 0.13 -1.98 -2.21 132.00 137.29 1ubt h PRO 196 Ca -0.31 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.82 1ubt h PRO 196 Cb 1.21 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.34 1ubt h PRO 196 CO 0.17 0.03 0.00 0.00 -0.23 0.00 0.00 178.00 177.98 1ubt n ALA 197 N -2.23 2.52 -2.61 -0.56 0.00 -1.26 -4.76 120.51 111.60 1ubt n ALA 197 Ca -0.02 -0.58 -0.39 0.00 0.00 0.00 0.00 53.44 52.45 1ubt n ALA 197 Cb 0.13 -1.06 -0.09 0.00 0.00 0.00 0.00 19.45 18.43 1ubt n ALA 197 CO 0.00 0.00 0.00 0.71 0.00 0.00 0.00 177.50 178.21 1ubt s TYR 198 N -1.83 3.26 -0.11 0.00 1.51 -0.83 -4.98 117.35 114.36 1ubt s TYR 198 Ca 0.34 0.37 0.08 0.00 -1.01 0.00 0.00 57.07 56.85 1ubt s TYR 198 Cb 0.19 -2.51 -0.12 0.00 -0.11 0.00 0.00 41.96 39.42 1ubt s TYR 198 CO 0.29 -0.17 0.22 0.66 -1.11 0.00 0.00 175.55 175.45 1ubt n TYR 199 N 5.10 0.00 -2.18 2.71 4.01 -1.26 -4.83 117.16 120.72 1ubt n TYR 199 Ca -0.10 0.00 -0.37 0.00 -0.16 0.00 0.00 57.90 57.28 1ubt n TYR 199 Cb 0.51 -0.14 0.00 0.00 -0.31 0.00 0.00 39.34 39.41 1ubt n TYR 199 CO 0.00 0.00 0.00 -0.51 -0.46 0.00 0.00 176.86 175.89 1ubt s LEU 200 N -3.24 3.89 0.74 7.72 1.02 -1.26 -5.02 118.68 122.52 1ubt s LEU 200 Ca -0.01 2.34 -0.12 0.00 0.02 0.00 0.00 54.13 56.36 1ubt s LEU 200 Cb 0.05 -4.37 0.04 0.00 0.02 0.00 0.00 46.19 41.93 1ubt s LEU 200 CO 0.33 -1.14 1.11 1.51 0.02 0.00 0.00 176.35 178.18 1ubt s ASP 201 N -1.44 5.10 0.33 2.29 1.47 -1.26 -4.84 116.67 118.31 1ubt s ASP 201 Ca 0.68 1.13 0.03 0.00 1.18 0.00 0.00 52.55 55.58 1ubt s ASP 201 Cb -0.29 -1.88 0.64 0.00 -0.34 0.00 0.00 42.92 41.05 1ubt s ASP 201 CO 0.34 -1.57 1.93 -0.65 0.68 0.00 0.00 175.17 175.90 1ubt h PRO 202 N -0.81 0.87 -0.27 2.11 0.11 -1.94 -1.45 132.00 130.61 1ubt h PRO 202 Ca -0.46 -0.05 -0.15 0.00 0.11 0.00 0.00 66.00 65.45 1ubt h PRO 202 Cb 1.27 -0.20 -0.00 0.00 0.11 0.00 0.00 31.00 32.18 1ubt h PRO 202 CO 0.63 0.57 -0.42 0.93 -0.21 0.00 0.00 178.00 179.50 1ubt h GLU 203 N 0.89 0.77 -0.38 1.05 3.07 -1.90 -0.03 114.58 118.04 1ubt h GLU 203 Ca 0.36 -0.46 -0.08 0.00 -0.50 0.00 0.00 59.36 58.69 1ubt h GLU 203 Cb 0.26 0.04 -0.02 0.00 -0.84 0.00 0.00 28.75 28.20 1ubt h GLU 203 CO -0.13 1.09 -0.09 1.15 -1.40 0.00 0.00 179.01 179.62 1ubt h THR 204 N 0.51 1.24 -0.97 1.13 2.02 -1.85 -0.68 112.91 114.33 1ubt h THR 204 Ca 0.02 -1.07 0.00 0.00 0.77 0.00 0.00 66.41 66.14 1ubt h THR 204 Cb 1.02 1.05 -0.05 0.00 -1.74 0.00 0.00 68.15 68.43 1ubt h THR 204 CO 0.10 0.36 0.62 0.78 0.37 0.00 0.00 175.52 177.75 1ubt h ASN 205 N 0.61 1.14 -0.31 4.18 -0.26 -0.93 -1.14 115.58 118.87 1ubt h ASN 205 Ca 0.11 -0.05 -0.09 0.00 -0.56 0.00 0.00 56.30 55.71 1ubt h ASN 205 Cb 0.52 -0.29 -0.01 0.00 -1.06 0.00 0.00 38.32 37.48 1ubt h ASN 205 CO 0.03 0.85 -0.16 0.25 -1.06 0.00 0.00 177.43 177.33 1ubt h LEU 206 N 1.33 0.68 -0.53 1.61 5.85 -0.44 0.16 115.31 123.96 1ubt h LEU 206 Ca 0.35 -0.41 0.01 0.00 0.84 0.00 0.00 57.88 58.67 1ubt h LEU 206 Cb -0.11 -0.19 -0.03 0.00 0.37 0.00 0.00 40.66 40.71 1ubt h LEU 206 CO -0.07 0.95 0.35 0.40 -0.34 0.00 0.00 178.44 179.73 1ubt h ILE 207 N 0.42 1.13 -0.72 4.05 2.04 -0.95 0.14 117.51 123.62 1ubt h ILE 207 Ca 0.07 -0.25 -0.06 0.00 1.00 0.00 0.00 64.86 65.62 1ubt h ILE 207 Cb 0.69 0.35 -0.03 0.00 -0.74 0.00 0.00 36.82 37.10 1ubt h ILE 207 CO 0.05 0.13 0.20 0.00 0.00 0.00 0.00 178.15 178.53 1ubt h ALA 208 N 1.20 0.94 -0.42 1.87 0.00 -1.10 -1.25 119.26 120.50 1ubt h ALA 208 Ca 0.20 -0.24 -0.06 0.00 0.00 0.00 0.00 54.91 54.81 1ubt h ALA 208 Cb -0.08 -0.28 -0.02 0.00 0.00 0.00 0.00 17.79 17.42 1ubt h ALA 208 CO -0.05 0.65 0.04 1.15 0.00 0.00 0.00 179.25 181.05 1ubt h THR 209 N 1.08 1.25 -0.62 0.00 2.02 -0.69 0.20 112.91 116.15 1ubt h THR 209 Ca 0.23 -0.93 0.09 0.00 0.77 0.00 0.00 66.41 66.56 1ubt h THR 209 Cb 0.34 1.03 -0.07 0.00 -1.74 0.00 0.00 68.15 67.72 1ubt h THR 209 CO -0.00 0.32 0.26 0.00 0.37 0.00 0.00 175.52 176.47 1ubt h ALA 210 N 0.92 0.81 0.00 6.16 0.00 -0.71 -1.62 119.26 124.83 1ubt h ALA 210 Ca 0.13 0.07 -0.15 0.00 0.00 0.00 0.00 54.91 54.95 1ubt h ALA 210 Cb 0.41 0.01 -0.02 0.00 0.00 0.00 0.00 17.79 18.19 1ubt h ALA 210 CO 0.01 -0.14 -0.74 0.45 0.00 0.00 0.00 179.25 178.84 1ubt h HIS 211 N 0.47 0.00 -0.13 0.00 3.86 -0.87 -0.16 115.15 118.33 1ubt h HIS 211 Ca 0.31 0.00 0.03 0.00 -1.16 0.00 0.00 60.37 59.55 1ubt h HIS 211 Cb 0.34 0.00 -0.03 0.00 1.06 0.00 0.00 27.41 28.78 1ubt h HIS 211 CO -0.14 0.74 -0.06 -0.92 0.86 0.00 0.00 177.93 178.41 1ubt h TYR 212 N 0.00 -0.13 -0.43 2.45 3.20 -0.23 0.40 116.97 122.23 1ubt h TYR 212 Ca -0.01 0.01 -0.03 0.00 3.14 0.00 0.00 58.73 61.85 1ubt h TYR 212 Cb 1.40 0.08 -0.02 0.00 1.54 0.00 0.00 36.73 39.73 1ubt h TYR 212 CO 0.00 -0.09 0.15 -0.07 -1.64 0.00 0.00 178.16 176.50 1ubt h LEU 213 N -0.04 0.61 -0.77 2.82 4.07 -1.01 -2.33 115.31 118.66 1ubt h LEU 213 Ca 0.07 -0.19 0.04 0.00 0.08 0.00 0.00 57.88 57.87 1ubt h LEU 213 Cb 0.15 -0.16 -0.05 0.00 1.08 0.00 0.00 40.66 41.68 1ubt h LEU 213 CO -0.16 0.64 0.49 -0.08 -1.08 0.00 0.00 178.44 178.25 1ubt h GLU 214 N 0.55 0.92 -0.09 1.13 4.81 -0.83 -2.03 114.58 119.03 1ubt h GLU 214 Ca 0.14 -0.06 -0.01 0.00 -0.13 0.00 0.00 59.36 59.31 1ubt h GLU 214 Cb 0.24 -0.21 -0.01 0.00 0.63 0.00 0.00 28.75 29.40 1ubt h GLU 214 CO -0.01 0.61 0.03 0.00 -0.73 0.00 0.00 179.01 178.91 1ubt h ALA 215 N 1.33 1.87 -0.85 2.92 0.00 -0.68 0.02 119.26 123.87 1ubt h ALA 215 Ca 0.31 -0.04 0.02 0.00 0.00 0.00 0.00 54.91 55.21 1ubt h ALA 215 Cb 0.04 -0.04 -0.05 0.00 0.00 0.00 0.00 17.79 17.74 1ubt h ALA 215 CO -0.12 0.10 0.56 -0.07 0.00 0.00 0.00 179.25 179.73 1ubt h LEU 216 N 0.13 0.95 0.09 0.00 3.38 -0.81 -0.20 115.31 118.85 1ubt h LEU 216 Ca 0.03 -0.02 -0.30 0.00 0.09 0.00 0.00 57.88 57.69 1ubt h LEU 216 Cb 0.05 -0.23 -0.02 0.00 0.09 0.00 0.00 40.66 40.55 1ubt h LEU 216 CO -0.00 0.67 -1.52 0.03 0.09 0.00 0.00 178.44 177.70 1ubt h ARG 217 N 1.11 0.18 -0.42 1.13 3.08 -1.41 -3.36 114.38 114.70 1ubt h ARG 217 Ca 0.33 -0.31 -0.02 0.00 0.07 0.00 0.00 59.98 60.04 1ubt h ARG 217 Cb -0.05 0.12 -0.02 0.00 0.08 0.00 0.00 29.97 30.09 1ubt h ARG 217 CO -0.08 1.01 0.15 1.25 -1.07 0.00 0.00 179.97 181.23 1ubt h LEU 218 N 0.05 0.54 -1.74 3.04 5.85 -0.73 -1.93 115.31 120.38 1ubt h LEU 218 Ca -0.23 -0.06 -0.03 0.00 0.84 0.00 0.00 57.88 58.39 1ubt h LEU 218 Cb 1.99 -0.14 -0.00 0.00 0.37 0.00 0.00 40.66 42.88 1ubt h LEU 218 CO 0.14 0.50 -0.16 0.06 -0.34 0.00 0.00 178.44 178.64 1ubt h GLN 219 N 0.59 0.00 -0.78 1.25 -0.00 -1.18 -0.23 115.11 114.76 1ubt h GLN 219 Ca 0.14 0.00 0.06 0.00 -0.00 0.00 0.00 58.65 58.85 1ubt h GLN 219 Cb 0.14 0.00 -0.06 0.00 -0.00 0.00 0.00 27.48 27.56 1ubt h GLN 219 CO -0.01 0.16 0.46 0.28 -0.00 0.00 0.00 178.83 179.72 1ubt h VAL 220 N 0.00 1.01 -0.39 1.86 2.07 -1.50 -0.44 116.25 118.86 1ubt h VAL 220 Ca -0.00 -0.29 -0.15 0.00 0.82 0.00 0.00 66.70 67.08 1ubt h VAL 220 Cb 0.41 0.09 -0.01 0.00 -1.52 0.00 0.00 31.29 30.26 1ubt h VAL 220 CO 0.02 0.15 -0.35 0.11 0.02 0.00 0.00 177.57 177.53 1ubt h LYS 221 N 0.85 0.93 -0.95 1.57 1.57 -1.13 -0.23 116.57 119.17 1ubt h LYS 221 Ca 0.34 -0.47 0.01 0.00 -1.87 0.00 0.00 60.65 58.65 1ubt h LYS 221 Cb 0.18 0.01 -0.05 0.00 0.08 0.00 0.00 32.23 32.45 1ubt h LYS 221 CO -0.18 1.13 0.62 0.00 -0.57 0.00 0.00 179.45 180.45 1ubt h ALA 222 N 0.78 1.21 -0.09 3.86 0.00 -0.98 -1.82 119.26 122.22 1ubt h ALA 222 Ca 0.07 -0.07 -0.19 0.00 0.00 0.00 0.00 54.91 54.71 1ubt h ALA 222 Cb 0.94 -0.39 -0.00 0.00 0.00 0.00 0.00 17.79 18.34 1ubt h ALA 222 CO 0.09 0.62 -0.75 0.00 0.00 0.00 0.00 179.25 179.20 1ubt h ALA 223 N 1.34 0.52 -0.51 0.00 0.00 -1.00 -3.05 119.26 116.56 1ubt h ALA 223 Ca 0.35 -0.61 0.04 0.00 0.00 0.00 0.00 54.91 54.68 1ubt h ALA 223 Cb -0.13 -0.05 -0.03 0.00 0.00 0.00 0.00 17.79 17.58 1ubt h ALA 223 CO -0.07 0.75 0.34 -0.09 0.00 0.00 0.00 179.25 180.18 1ubt h ARG 224 N 0.33 0.55 -0.83 0.00 2.43 -0.54 -1.15 114.38 115.16 1ubt h ARG 224 Ca -0.04 -0.03 0.10 0.00 -0.81 0.00 0.00 59.98 59.19 1ubt h ARG 224 Cb 1.34 -0.12 -0.06 0.00 -0.42 0.00 0.00 29.97 30.71 1ubt h ARG 224 CO 0.13 0.36 0.54 0.00 -1.51 0.00 0.00 179.97 179.50 1ubt h ALA 225 N 1.71 1.71 -0.19 2.80 0.00 -1.23 -0.09 119.26 123.97 1ubt h ALA 225 Ca 0.21 -0.01 -0.09 0.00 0.00 0.00 0.00 54.91 55.02 1ubt h ALA 225 Cb 0.12 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 17.72 1ubt h ALA 225 CO -0.05 0.12 -0.27 0.52 0.00 0.00 0.00 179.25 179.56 1ubt h MET 226 N 0.80 0.36 0.00 0.00 2.86 -1.32 -3.08 114.93 114.54 1ubt h MET 226 Ca 0.38 -0.13 -0.04 0.00 -2.06 0.00 0.00 59.70 57.86 1ubt h MET 226 Cb 0.43 -0.02 -0.01 0.00 0.06 0.00 0.00 31.60 32.06 1ubt h MET 226 CO -0.15 0.61 -0.17 0.00 1.06 0.00 0.00 176.91 178.26 1ubt h ALA 227 N 1.40 0.93 -0.47 6.32 0.00 -0.94 0.16 119.26 126.66 1ubt h ALA 227 Ca 0.05 -0.15 0.07 0.00 0.00 0.00 0.00 54.91 54.88 1ubt h ALA 227 Cb 0.65 -0.03 -0.06 0.00 0.00 0.00 0.00 17.79 18.35 1ubt h ALA 227 CO 0.05 0.21 0.11 0.28 0.00 0.00 0.00 179.25 179.90 1ubt h VAL 228 N 0.00 0.77 0.00 0.00 2.07 -1.27 -2.02 116.25 115.80 1ubt h VAL 228 Ca -0.00 -0.09 -0.33 0.00 0.82 0.00 0.00 66.70 67.10 1ubt h VAL 228 Cb 0.95 0.49 -0.06 0.00 -1.52 0.00 0.00 31.29 31.15 1ubt h VAL 228 CO 0.02 0.05 -2.06 0.49 0.02 0.00 0.00 177.57 176.09 1ubt n PHE 229 N -5.08 0.50 -0.59 1.57 3.72 -1.22 -4.66 117.46 111.70 1ubt n PHE 229 Ca 0.05 0.18 0.09 0.00 -0.05 0.00 0.00 57.45 57.71 1ubt n PHE 229 Cb 0.22 -1.09 0.30 0.00 -0.94 0.00 0.00 39.48 37.96 1ubt n PHE 229 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 1ubt n GLY 230 N 1.67 3.00 3.94 1.37 0.00 0.56 -4.78 105.19 110.94 1ubt n GLY 230 Ca -0.25 -0.79 0.00 0.00 0.00 0.00 0.00 46.02 44.98 1ubt n GLY 230 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1ubt n ALA 231 N 0.70 0.00 -3.53 4.61 0.00 -0.77 -0.87 120.51 120.65 1ubt n ALA 231 Ca 0.22 0.00 -0.09 0.00 0.00 0.00 0.00 53.44 53.57 1ubt n ALA 231 Cb 0.79 0.00 -0.03 0.00 0.00 0.00 0.00 19.45 20.21 1ubt n ALA 231 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 177.50 175.91 1ubt s LYS 232 N 0.00 0.71 -0.02 0.00 -2.85 -1.26 -4.86 119.74 111.46 1ubt s LYS 232 Ca 0.00 -0.14 0.00 0.00 -1.00 0.00 0.00 55.97 54.83 1ubt s LYS 232 Cb 0.00 0.33 0.02 0.00 -2.06 0.00 0.00 37.83 36.12 1ubt s LYS 232 CO 0.00 -0.28 0.02 1.21 0.10 0.00 0.00 175.35 176.40 1ubt s ASN 233 N -2.01 0.11 0.76 0.03 3.04 -1.26 -3.56 114.94 112.05 1ubt s ASN 233 Ca 0.03 0.02 -0.11 0.00 0.04 0.00 0.00 52.86 52.84 1ubt s ASN 233 Cb -0.01 -0.08 0.05 0.00 -1.54 0.00 0.00 41.25 39.67 1ubt s ASN 233 CO -0.05 -0.10 1.09 -2.84 -3.04 0.00 0.00 177.10 172.15 1ubt s PRO 234 N 0.89 2.40 -0.19 0.43 0.02 -1.26 -5.00 135.00 132.29 1ubt s PRO 234 Ca -0.08 0.69 -0.03 0.00 0.02 0.00 0.00 61.00 61.60 1ubt s PRO 234 Cb -0.11 -1.95 0.00 0.00 0.02 0.00 0.00 34.50 32.46 1ubt s PRO 234 CO -0.02 -1.41 0.11 0.72 -0.33 0.00 0.00 177.00 176.07 1ubt n HIS 235 N -3.30 -2.06 -1.15 6.54 8.25 -1.26 -5.02 115.22 117.22 1ubt n HIS 235 Ca 0.07 0.89 -0.29 0.00 -0.26 0.00 0.00 57.72 58.12 1ubt n HIS 235 Cb 0.56 -2.87 0.16 0.00 1.12 0.00 0.00 29.99 28.96 1ubt n HIS 235 CO 0.00 0.00 0.00 0.95 0.64 0.00 0.00 176.34 177.93 1ubt s THR 236 N -1.21 2.43 -0.44 1.59 -4.23 -1.23 -4.68 115.64 107.86 1ubt s THR 236 Ca 0.05 0.14 0.07 0.00 -1.18 0.00 0.00 61.69 60.77 1ubt s THR 236 Cb -0.01 -2.60 0.26 0.00 1.34 0.00 0.00 72.50 71.49 1ubt s THR 236 CO 0.42 -0.18 0.77 1.67 -0.54 0.00 0.00 174.62 176.76 1ubt n GLN 237 N -4.03 0.80 0.00 3.99 7.27 -0.05 -4.90 117.38 120.46 1ubt n GLN 237 Ca 0.06 -2.39 0.00 0.00 0.07 0.00 0.00 57.00 54.74 1ubt n GLN 237 Cb 0.56 -1.35 0.00 0.00 2.41 0.00 0.00 30.24 31.85 1ubt n GLN 237 CO 0.00 0.00 0.00 1.97 0.07 0.00 0.00 177.06 179.10 1ubt n PHE 238 N 1.33 0.00 -3.69 3.69 1.16 -1.26 -4.66 117.46 114.03 1ubt n PHE 238 Ca 0.14 0.00 -0.35 0.00 -1.87 0.00 0.00 57.45 55.37 1ubt n PHE 238 Cb 0.61 0.01 -0.06 0.00 -1.61 0.00 0.00 39.48 38.43 1ubt n PHE 238 CO 0.00 0.00 0.00 0.95 -1.87 0.00 0.00 176.76 175.84 1ubt s THR 239 N 0.00 5.23 0.09 1.97 -4.23 -1.26 -0.89 115.64 116.55 1ubt s THR 239 Ca 0.00 0.35 -0.00 0.00 -1.18 0.00 0.00 61.69 60.86 1ubt s THR 239 Cb 0.00 -3.59 -0.04 0.00 1.34 0.00 0.00 72.50 70.21 1ubt s THR 239 CO 0.00 0.41 -0.02 0.68 -0.54 0.00 0.00 174.62 175.16 1ubt s VAL 240 N -1.25 0.35 0.26 2.29 -7.23 -1.01 -4.90 120.40 108.90 1ubt s VAL 240 Ca 0.27 -1.88 -0.31 0.00 -1.81 0.00 0.00 61.98 58.25 1ubt s VAL 240 Cb -0.14 -1.72 -0.12 0.00 0.56 0.00 0.00 36.38 34.96 1ubt s VAL 240 CO 0.15 -0.81 1.57 0.52 -0.31 0.00 0.00 175.10 176.22 1ubt n VAL 241 N -0.00 0.77 0.00 1.32 0.31 -1.26 -1.65 118.33 117.81 1ubt n VAL 241 Ca -0.11 -0.19 0.00 0.00 -0.01 0.00 0.00 64.34 64.03 1ubt n VAL 241 Cb 0.62 -1.82 0.00 0.00 -0.91 0.00 0.00 33.84 31.73 1ubt n VAL 241 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 1ubt n GLY 242 N 2.54 1.88 0.00 2.92 0.00 -1.26 -4.85 105.19 106.42 1ubt n GLY 242 Ca 0.11 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.13 1ubt n GLY 242 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1ubt n GLY 243 N -2.00 -0.34 3.19 -0.02 0.00 -0.66 -0.98 105.19 104.37 1ubt n GLY 243 Ca 0.00 -0.22 -0.11 0.00 0.00 0.00 0.00 46.02 45.69 1ubt n GLY 243 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1ubt s VAL 244 N 0.00 0.18 -0.52 1.61 -7.23 -0.53 -2.41 120.40 111.49 1ubt s VAL 244 Ca 0.00 -1.95 0.15 0.00 -1.81 0.00 0.00 61.98 58.37 1ubt s VAL 244 Cb 0.00 -2.23 -0.18 0.00 0.56 0.00 0.00 36.38 34.53 1ubt s VAL 244 CO 0.00 -0.30 0.56 0.35 -0.31 0.00 0.00 175.10 175.40 1ubt n THR 245 N -0.19 0.00 -2.63 5.32 -2.24 -0.06 -4.24 114.28 110.23 1ubt n THR 245 Ca -0.03 -0.20 -0.43 0.00 -2.27 0.00 0.00 64.05 61.12 1ubt n THR 245 Cb 0.64 0.77 0.00 0.00 -2.10 0.00 0.00 70.33 69.65 1ubt n THR 245 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1ubt h TYR 247 N 6.65 0.00 0.00 0.00 -1.99 -1.96 0.13 116.97 119.80 1ubt h TYR 247 Ca 0.37 0.00 0.00 0.00 2.00 0.00 0.00 58.73 61.10 1ubt h TYR 247 Cb 0.78 0.00 0.00 0.00 2.00 0.00 0.00 36.73 39.51 1ubt h TYR 247 CO 1.21 0.00 0.00 0.22 -0.00 0.00 0.00 178.16 179.59 1ubt h ASP 248 N 0.00 0.00 0.50 3.88 -0.00 -1.98 -2.09 116.42 116.73 1ubt h ASP 248 Ca 0.26 0.00 0.00 0.00 -0.00 0.00 0.00 57.03 57.29 1ubt h ASP 248 Cb 1.03 0.00 0.00 0.00 -0.00 0.00 0.00 39.33 40.36 1ubt h ASP 248 CO -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 179.24 179.24 1ubt n ALA 249 N -2.08 1.54 0.60 -0.78 0.00 0.46 -1.54 120.51 118.70 1ubt n ALA 249 Ca -0.02 0.04 0.13 0.00 0.00 0.00 0.00 53.44 53.59 1ubt n ALA 249 Cb 0.16 -1.29 0.35 0.00 0.00 0.00 0.00 19.45 18.68 1ubt n ALA 249 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 1ubt n LEU 250 N -1.91 0.83 -4.80 0.00 4.32 -0.79 -4.53 117.00 110.12 1ubt n LEU 250 Ca 0.02 0.51 -0.35 0.00 -0.02 0.00 0.00 56.01 56.18 1ubt n LEU 250 Cb 0.17 -0.28 -0.05 0.00 -1.62 0.00 0.00 43.42 41.63 1ubt n LEU 250 CO 0.15 -0.16 0.69 0.42 -1.22 0.00 0.00 177.39 177.26 1ubt s THR 251 N -3.12 4.03 0.44 -5.08 -4.23 -0.59 -4.93 115.64 102.17 1ubt s THR 251 Ca 0.10 1.37 0.13 0.00 -1.18 0.00 0.00 61.69 62.11 1ubt s THR 251 Cb 0.12 -3.61 0.31 0.00 1.34 0.00 0.00 72.50 70.66 1ubt s THR 251 CO 0.62 -0.17 2.02 -0.65 -0.54 0.00 0.00 174.62 175.91 1ubt h PRO 252 N 2.06 0.36 -0.12 3.99 0.11 -1.91 -2.14 132.00 134.36 1ubt h PRO 252 Ca -0.49 -0.02 -0.03 0.00 0.11 0.00 0.00 66.00 65.57 1ubt h PRO 252 Cb 1.20 -0.08 -0.00 0.00 0.11 0.00 0.00 31.00 32.23 1ubt h PRO 252 CO 0.61 0.24 -0.03 1.96 -0.21 0.00 0.00 178.00 180.57 1ubt h GLN 253 N 0.37 0.23 -0.63 1.05 7.50 -1.92 0.48 115.11 122.20 1ubt h GLN 253 Ca 0.21 -0.09 -0.09 0.00 0.50 0.00 0.00 58.65 59.18 1ubt h GLN 253 Cb 0.34 -0.01 -0.02 0.00 0.05 0.00 0.00 27.48 27.83 1ubt h GLN 253 CO -0.05 0.54 0.05 0.00 -1.50 0.00 0.00 178.83 177.87 1ubt h ARG 254 N -0.09 1.08 -0.77 1.46 2.47 -1.76 -0.88 114.38 115.90 1ubt h ARG 254 Ca 0.03 -0.32 -0.05 0.00 -1.26 0.00 0.00 59.98 58.38 1ubt h ARG 254 Cb 0.45 -0.11 -0.03 0.00 -1.65 0.00 0.00 29.97 28.63 1ubt h ARG 254 CO 0.01 1.02 0.27 0.82 0.56 0.00 0.00 179.97 182.66 1ubt h ILE 255 N 0.99 1.26 -0.46 2.04 2.04 -1.29 -0.32 117.51 121.77 1ubt h ILE 255 Ca 0.18 -0.87 -0.07 0.00 1.00 0.00 0.00 64.86 65.10 1ubt h ILE 255 Cb 0.51 0.38 -0.02 0.00 -0.74 0.00 0.00 36.82 36.95 1ubt h ILE 255 CO 0.02 0.35 -0.01 0.00 0.00 0.00 0.00 178.15 178.52 1ubt h ALA 256 N 1.14 1.13 -0.20 1.87 0.00 -0.70 -0.38 119.26 122.14 1ubt h ALA 256 Ca 0.25 -0.26 -0.08 0.00 0.00 0.00 0.00 54.91 54.82 1ubt h ALA 256 Cb 0.27 -0.19 -0.00 0.00 0.00 0.00 0.00 17.79 17.87 1ubt h ALA 256 CO -0.01 0.56 -0.19 1.49 0.00 0.00 0.00 179.25 181.09 1ubt h GLU 257 N 0.70 0.48 -0.29 0.00 4.81 -0.59 -1.19 114.58 118.49 1ubt h GLU 257 Ca 0.14 -0.25 0.05 0.00 -0.13 0.00 0.00 59.36 59.16 1ubt h GLU 257 Cb 0.44 0.01 -0.04 0.00 0.63 0.00 0.00 28.75 29.79 1ubt h GLU 257 CO 0.02 0.82 0.03 0.35 -0.73 0.00 0.00 179.01 179.50 1ubt h PHE 258 N 0.15 0.04 -0.83 0.92 3.04 -0.94 -2.64 116.94 116.68 1ubt h PHE 258 Ca 0.03 0.02 -0.01 0.00 3.98 0.00 0.00 57.97 61.99 1ubt h PHE 258 Cb 0.73 0.03 -0.04 0.00 2.56 0.00 0.00 35.95 39.23 1ubt h PHE 258 CO 0.08 -0.02 0.48 1.49 -2.02 0.00 0.00 178.31 178.33 1ubt h GLU 259 N 0.12 1.14 -0.51 1.11 4.81 -0.86 0.82 114.58 121.21 1ubt h GLU 259 Ca 0.14 -0.11 -0.10 0.00 -0.13 0.00 0.00 59.36 59.15 1ubt h GLU 259 Cb 0.17 -0.23 -0.02 0.00 0.63 0.00 0.00 28.75 29.30 1ubt h GLU 259 CO -0.21 0.81 -0.09 0.00 -0.73 0.00 0.00 179.01 178.79 1ubt h ALA 260 N 1.38 0.87 -0.28 2.92 0.00 -1.09 0.03 119.26 123.08 1ubt h ALA 260 Ca 0.30 -0.33 -0.09 0.00 0.00 0.00 0.00 54.91 54.78 1ubt h ALA 260 Cb -0.02 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 17.57 1ubt h ALA 260 CO -0.05 0.64 -0.17 -0.07 0.00 0.00 0.00 179.25 179.60 1ubt h LEU 261 N 0.84 0.64 -0.31 0.00 3.38 -1.07 -2.38 115.31 116.41 1ubt h LEU 261 Ca 0.14 -0.43 0.04 0.00 0.09 0.00 0.00 57.88 57.72 1ubt h LEU 261 Cb 0.63 -0.18 -0.04 0.00 0.09 0.00 0.00 40.66 41.16 1ubt h LEU 261 CO 0.04 0.93 0.09 -0.25 0.09 0.00 0.00 178.44 179.35 1ubt h TRP 262 N 0.36 0.16 -0.71 1.13 7.01 -0.76 -0.61 115.95 122.53 1ubt h TRP 262 Ca 0.06 0.02 0.03 0.00 2.11 0.00 0.00 58.89 61.11 1ubt h TRP 262 Cb 0.71 -0.03 -0.04 0.00 -2.10 0.00 0.00 29.16 27.70 1ubt h TRP 262 CO 0.06 0.06 0.44 0.87 -2.79 0.00 0.00 178.44 177.09 1ubt h LYS 263 N 0.22 0.84 -0.60 2.65 1.57 -0.93 0.36 116.57 120.67 1ubt h LYS 263 Ca 0.14 -0.05 -0.09 0.00 -1.87 0.00 0.00 60.65 58.78 1ubt h LYS 263 Cb 0.13 -0.19 -0.02 0.00 0.08 0.00 0.00 32.23 32.22 1ubt h LYS 263 CO -0.16 0.55 0.03 1.49 -0.57 0.00 0.00 179.45 180.79 1ubt h GLU 264 N 0.86 1.03 -0.34 3.15 4.81 -1.22 -1.05 114.58 121.83 1ubt h GLU 264 Ca 0.28 -0.30 -0.07 0.00 -0.13 0.00 0.00 59.36 59.14 1ubt h GLU 264 Cb 0.02 -0.11 -0.01 0.00 0.63 0.00 0.00 28.75 29.28 1ubt h GLU 264 CO -0.11 0.99 -0.07 1.15 -0.73 0.00 0.00 179.01 180.25 1ubt h THR 265 N 0.95 1.28 -0.59 0.32 2.02 -0.31 -2.26 112.91 114.32 1ubt h THR 265 Ca 0.18 -1.11 -0.05 0.00 0.77 0.00 0.00 66.41 66.20 1ubt h THR 265 Cb 0.51 1.31 -0.03 0.00 -1.74 0.00 0.00 68.15 68.20 1ubt h THR 265 CO 0.02 0.36 0.15 0.50 0.37 0.00 0.00 175.52 176.93 1ubt h LYS 266 N 0.43 0.90 -0.86 6.66 3.64 -0.16 -1.17 116.57 126.00 1ubt h LYS 266 Ca 0.09 -0.19 0.01 0.00 -1.27 0.00 0.00 60.65 59.29 1ubt h LYS 266 Cb 0.56 -0.13 -0.04 0.00 -0.41 0.00 0.00 32.23 32.20 1ubt h LYS 266 CO 0.03 0.80 0.57 0.00 -2.27 0.00 0.00 179.45 178.58 1ubt h ALA 267 N 1.29 1.10 -0.52 5.00 0.00 -0.97 0.58 119.26 125.74 1ubt h ALA 267 Ca 0.19 -0.06 -0.05 0.00 0.00 0.00 0.00 54.91 54.99 1ubt h ALA 267 Cb 0.30 -0.35 -0.02 0.00 0.00 0.00 0.00 17.79 17.72 1ubt h ALA 267 CO -0.00 0.51 0.12 0.35 0.00 0.00 0.00 179.25 180.23 1ubt h PHE 268 N 1.17 0.87 0.02 0.00 3.04 -0.78 0.27 116.94 121.53 1ubt h PHE 268 Ca 0.32 -0.10 0.01 0.00 3.98 0.00 0.00 57.97 62.17 1ubt h PHE 268 Cb -0.12 -0.24 -0.02 0.00 2.56 0.00 0.00 35.95 38.12 1ubt h PHE 268 CO -0.01 0.77 -0.09 0.28 -2.02 0.00 0.00 178.31 177.24 1ubt h VAL 269 N 0.72 0.78 -0.02 1.41 2.07 -0.73 0.46 116.25 120.94 1ubt h VAL 269 Ca 0.16 0.00 -0.19 0.00 0.82 0.00 0.00 66.70 67.49 1ubt h VAL 269 Cb 0.34 0.78 -0.01 0.00 -1.52 0.00 0.00 31.29 30.88 1ubt h VAL 269 CO 0.00 0.00 -0.84 0.44 0.02 0.00 0.00 177.57 177.20 1ubt h ASP 270 N -0.16 0.34 0.00 0.57 3.45 -0.62 -0.74 116.42 119.26 1ubt h ASP 270 Ca 0.03 -0.26 0.00 0.00 0.43 0.00 0.00 57.03 57.23 1ubt h ASP 270 Cb 0.19 -0.10 0.00 0.00 -0.56 0.00 0.00 39.33 38.86 1ubt h ASP 270 CO -0.07 1.03 -1.84 -0.62 -1.57 0.00 0.00 179.24 176.17 1ubt n GLU 271 N -3.72 0.59 0.06 3.56 1.02 0.92 -4.47 120.64 118.59 1ubt n GLU 271 Ca -0.04 -0.17 0.00 0.00 -0.02 0.00 0.00 57.16 56.93 1ubt n GLU 271 Cb 0.78 -1.50 0.00 0.00 -0.02 0.00 0.00 31.44 30.70 1ubt n GLU 271 CO 0.00 0.00 0.00 0.28 1.18 0.00 0.00 177.13 178.59 1ubt n VAL 272 N -2.14 0.98 0.28 2.62 0.31 0.03 -4.72 118.33 115.70 1ubt n VAL 272 Ca -0.03 0.32 -0.16 0.00 -0.01 0.00 0.00 64.34 64.47 1ubt n VAL 272 Cb 0.52 -1.39 -0.08 0.00 -0.91 0.00 0.00 33.84 31.98 1ubt n VAL 272 CO 0.00 0.00 0.00 0.22 -1.32 0.00 0.00 176.83 175.73 1ubt h TYR 273 N 0.00 -0.66 -0.43 3.52 3.20 -1.18 -1.98 116.97 119.45 1ubt h TYR 273 Ca 0.00 -0.02 -0.05 0.00 3.14 0.00 0.00 58.73 61.81 1ubt h TYR 273 Cb 0.00 0.22 -0.02 0.00 1.54 0.00 0.00 36.73 38.47 1ubt h TYR 273 CO 0.00 -0.34 0.09 0.82 -1.64 0.00 0.00 178.16 177.08 1ubt h ILE 274 N -0.88 1.24 -0.83 1.81 1.08 -1.37 0.06 117.51 118.61 1ubt h ILE 274 Ca -0.07 -0.85 0.07 0.00 -0.39 0.00 0.00 64.86 63.62 1ubt h ILE 274 Cb 0.61 0.96 -0.06 0.00 -3.07 0.00 0.00 36.82 35.27 1ubt h ILE 274 CO 0.12 0.30 0.54 -0.65 -0.69 0.00 0.00 178.15 177.77 1ubt h PRO 275 N 0.57 0.85 -0.33 2.37 0.11 -1.78 -0.58 132.00 133.21 1ubt h PRO 275 Ca 0.13 -0.05 -0.05 0.00 0.11 0.00 0.00 66.00 66.14 1ubt h PRO 275 Cb 0.35 -0.19 -0.01 0.00 0.11 0.00 0.00 31.00 31.26 1ubt h PRO 275 CO 0.01 0.56 0.03 -0.44 -0.21 0.00 0.00 178.00 177.95 1ubt h ASP 276 N 0.88 0.55 -0.65 -2.05 3.32 -0.87 -1.10 116.42 116.51 1ubt h ASP 276 Ca 0.37 -0.29 0.07 0.00 0.02 0.00 0.00 57.03 57.20 1ubt h ASP 276 Cb 0.29 -0.15 -0.06 0.00 0.22 0.00 0.00 39.33 39.63 1ubt h ASP 276 CO -0.14 0.70 0.33 0.25 -1.72 0.00 0.00 179.24 178.66 1ubt h LEU 277 N 0.39 0.46 -0.55 1.55 6.46 -0.37 -0.22 115.31 123.02 1ubt h LEU 277 Ca 0.10 0.04 -0.14 0.00 -0.12 0.00 0.00 57.88 57.76 1ubt h LEU 277 Cb 0.40 -0.04 -0.01 0.00 -0.73 0.00 0.00 40.66 40.28 1ubt h LEU 277 CO 0.01 0.29 -0.35 -0.07 -0.62 0.00 0.00 178.44 177.70 1ubt h LEU 278 N 0.60 0.83 -0.34 2.25 4.07 -0.92 0.57 115.31 122.38 1ubt h LEU 278 Ca 0.30 -0.36 -0.04 0.00 0.08 0.00 0.00 57.88 57.86 1ubt h LEU 278 Cb 0.25 -0.23 -0.01 0.00 1.08 0.00 0.00 40.66 41.75 1ubt h LEU 278 CO -0.22 1.10 0.04 0.58 -1.08 0.00 0.00 178.44 178.86 1ubt h VAL 279 N 0.66 1.24 -0.46 1.22 2.07 -0.78 -0.52 116.25 119.69 1ubt h VAL 279 Ca 0.06 -0.87 -0.05 0.00 0.82 0.00 0.00 66.70 66.66 1ubt h VAL 279 Cb 0.90 1.16 -0.02 0.00 -1.52 0.00 0.00 31.29 31.81 1ubt h VAL 279 CO 0.08 0.29 0.10 0.58 0.02 0.00 0.00 177.57 178.64 1ubt h VAL 280 N 0.39 1.24 -0.96 2.57 2.07 -0.96 -2.34 116.25 118.26 1ubt h VAL 280 Ca 0.10 -0.85 0.01 0.00 0.82 0.00 0.00 66.70 66.78 1ubt h VAL 280 Cb 0.38 0.92 -0.05 0.00 -1.52 0.00 0.00 31.29 31.02 1ubt h VAL 280 CO 0.01 0.30 0.64 0.00 0.02 0.00 0.00 177.57 178.54 1ubt h ALA 281 N 0.97 1.22 -0.48 1.67 0.00 -0.79 -1.76 119.26 120.09 1ubt h ALA 281 Ca 0.14 -0.06 -0.05 0.00 0.00 0.00 0.00 54.91 54.94 1ubt h ALA 281 Cb 0.35 -0.38 -0.02 0.00 0.00 0.00 0.00 17.79 17.73 1ubt h ALA 281 CO 0.00 0.60 0.10 0.00 0.00 0.00 0.00 179.25 179.95 1ubt h ALA 282 N 1.36 1.28 0.00 0.00 0.00 -0.88 -2.27 119.26 118.75 1ubt h ALA 282 Ca 0.35 -0.20 -0.05 0.00 0.00 0.00 0.00 54.91 55.02 1ubt h ALA 282 Cb -0.14 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 17.45 1ubt h ALA 282 CO -0.08 0.50 -0.22 0.00 0.00 0.00 0.00 179.25 179.45 1ubt h ALA 283 N 1.40 1.00 -0.69 0.00 0.00 -0.83 -3.27 119.26 116.86 1ubt h ALA 283 Ca 0.16 -0.20 -0.50 0.00 0.00 0.00 0.00 54.91 54.37 1ubt h ALA 283 Cb 0.29 -0.03 -0.36 0.00 0.00 0.00 0.00 17.79 17.69 1ubt h ALA 283 CO 0.00 0.27 -0.53 0.66 0.00 0.00 0.00 179.25 179.65 1ubt n TYR 284 N -3.35 2.48 0.26 0.00 4.02 -0.73 -4.81 117.16 115.03 1ubt n TYR 284 Ca 0.00 -2.23 0.14 0.00 -0.01 0.00 0.00 57.90 55.81 1ubt n TYR 284 Cb 0.44 -0.49 0.69 0.00 -0.02 0.00 0.00 39.34 39.97 1ubt n TYR 284 CO 0.00 0.00 0.00 0.87 -1.01 0.00 0.00 176.86 176.72 1ubt h LYS 285 N 1.99 0.00 0.00 -0.72 1.57 -1.53 0.15 116.57 118.03 1ubt h LYS 285 Ca 0.36 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.14 1ubt h LYS 285 Cb 1.41 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.72 1ubt h LYS 285 CO 0.78 0.00 0.00 0.38 -0.57 0.00 0.00 179.45 180.04 1ubt h ASP 286 N 0.00 0.00 0.00 0.86 -0.00 -1.89 -2.59 116.42 112.81 1ubt h ASP 286 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 57.03 57.03 1ubt h ASP 286 Cb 0.13 0.00 0.00 0.00 -0.00 0.00 0.00 39.33 39.46 1ubt h ASP 286 CO 0.00 0.00 0.00 0.79 -0.00 0.00 0.00 179.24 180.03 1ubt n TRP 287 N -3.04 0.00 0.83 4.15 7.02 0.04 -1.61 117.44 124.83 1ubt n TRP 287 Ca -0.01 0.00 0.11 0.00 -1.02 0.00 0.00 57.50 56.58 1ubt n TRP 287 Cb 0.19 0.00 0.51 0.00 -2.42 0.00 0.00 31.31 29.60 1ubt n TRP 287 CO 0.00 0.00 0.00 0.25 -2.02 0.00 0.00 177.69 175.92 1ubt n THR 288 N -0.83 0.36 1.00 -0.99 -2.24 -0.98 -2.16 114.28 108.44 1ubt n THR 288 Ca 0.11 0.09 0.11 0.00 -2.27 0.00 0.00 64.05 62.08 1ubt n THR 288 Cb 0.05 -0.68 -0.04 0.00 -2.10 0.00 0.00 70.33 67.56 1ubt n THR 288 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1ubt n GLN 289 N -1.49 0.85 -4.28 -0.78 1.13 -0.63 -4.69 117.38 107.49 1ubt n GLN 289 Ca 0.06 -0.70 -0.22 0.00 -1.94 0.00 0.00 57.00 54.20 1ubt n GLN 289 Cb 0.27 -1.49 -0.12 0.00 0.11 0.00 0.00 30.24 29.02 1ubt n GLN 289 CO 0.00 0.00 0.00 0.71 -1.44 0.00 0.00 177.06 176.33 1ubt s TYR 290 N -2.64 1.67 0.00 1.08 2.02 -1.24 -4.88 117.35 113.37 1ubt s TYR 290 Ca 0.15 -0.46 0.00 0.00 -0.37 0.00 0.00 57.07 56.39 1ubt s TYR 290 Cb 0.17 -0.89 0.00 0.00 -0.40 0.00 0.00 41.96 40.85 1ubt s TYR 290 CO 0.66 0.22 0.00 0.41 -1.57 0.00 0.00 175.55 175.27 1ubt n GLY 291 N 0.77 0.61 3.84 0.71 0.00 -1.18 -0.21 105.19 109.73 1ubt n GLY 291 Ca -0.17 -0.62 -0.31 0.00 0.00 0.00 0.00 46.02 44.93 1ubt n GLY 291 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1ubt s GLY 292 N -2.56 1.65 0.18 -0.02 0.00 -1.25 -3.73 107.32 101.59 1ubt s GLY 292 Ca 0.00 -0.09 -0.01 0.00 0.00 0.00 0.00 44.72 44.62 1ubt s GLY 292 CO 0.00 0.24 0.10 -0.51 0.00 0.00 0.00 173.10 172.93 1ubt s THR 293 N -3.16 0.06 -0.23 0.90 -4.23 -1.26 -4.19 115.64 103.53 1ubt s THR 293 Ca 0.57 -1.97 0.02 0.00 -1.18 0.00 0.00 61.69 59.13 1ubt s THR 293 Cb -0.13 -2.35 -0.15 0.00 1.34 0.00 0.00 72.50 71.22 1ubt s THR 293 CO 0.54 -0.16 -0.20 0.47 -0.54 0.00 0.00 174.62 174.73 1ubt n ASP 294 N -0.22 2.23 -4.27 3.99 8.00 -1.26 -4.86 116.55 120.16 1ubt n ASP 294 Ca -0.01 -0.12 -0.23 0.00 0.71 0.00 0.00 54.79 55.14 1ubt n ASP 294 Cb 0.65 -0.36 -0.12 0.00 -0.02 0.00 0.00 41.12 41.26 1ubt n ASP 294 CO 0.00 0.00 0.00 0.20 -0.39 0.00 0.00 177.20 177.01 1ubt s ASN 295 N -6.22 2.40 -0.01 -2.24 0.01 -1.26 -0.77 114.94 106.86 1ubt s ASN 295 Ca -0.31 -0.67 0.01 0.00 -0.71 0.00 0.00 52.86 51.18 1ubt s ASN 295 Cb 0.08 -0.13 0.01 0.00 0.41 0.00 0.00 41.25 41.62 1ubt s ASN 295 CO 0.52 0.04 -0.02 -0.36 -1.51 0.00 0.00 177.10 175.77 1ubt s PHE 296 N -1.16 0.30 0.00 2.20 0.40 0.24 -0.82 117.98 119.14 1ubt s PHE 296 Ca 0.05 -0.04 0.02 0.00 -0.60 0.00 0.00 56.93 56.36 1ubt s PHE 296 Cb -0.10 -0.25 -0.01 0.00 0.51 0.00 0.00 43.02 43.17 1ubt s PHE 296 CO 0.04 -0.04 -0.06 -1.50 0.70 0.00 0.00 175.22 174.36 1ubt s ILE 297 N 0.23 0.47 -0.01 0.64 2.07 -0.40 -0.57 121.20 123.62 1ubt s ILE 297 Ca -0.02 -0.35 -0.15 0.00 -1.41 0.00 0.00 60.65 58.72 1ubt s ILE 297 Cb -0.05 -0.42 0.02 0.00 0.13 0.00 0.00 42.46 42.15 1ubt s ILE 297 CO -0.01 0.07 0.31 0.28 -1.91 0.00 0.00 174.94 173.69 1ubt s THR 298 N -0.28 0.06 -0.92 4.00 -1.32 -0.72 -4.38 115.64 112.07 1ubt s THR 298 Ca 0.01 -0.46 0.16 0.00 -1.21 0.00 0.00 61.69 60.18 1ubt s THR 298 Cb -0.03 -0.62 -0.13 0.00 -1.51 0.00 0.00 72.50 70.21 1ubt s THR 298 CO -0.00 -0.26 0.71 0.49 -2.21 0.00 0.00 174.62 173.36 1ubt n PHE 299 N 1.28 0.00 0.00 9.09 0.99 -1.26 -1.32 117.46 126.24 1ubt n PHE 299 Ca -0.22 0.00 0.00 0.00 -0.00 0.00 0.00 57.45 57.23 1ubt n PHE 299 Cb 0.56 0.00 0.00 0.00 -1.00 0.00 0.00 39.48 39.04 1ubt n PHE 299 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.76 177.17 1ubt n GLY 300 N 1.32 -1.61 3.41 1.37 0.00 -1.25 -3.88 105.19 104.55 1ubt n GLY 300 Ca 0.04 -1.49 -0.14 0.00 0.00 0.00 0.00 46.02 44.43 1ubt n GLY 300 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1ubt s GLU 301 N -3.40 1.09 -0.06 1.61 2.56 -0.04 -3.42 118.70 117.04 1ubt s GLU 301 Ca 0.00 -0.25 -0.00 0.00 0.00 0.00 0.00 54.97 54.72 1ubt s GLU 301 Cb 0.00 0.50 -0.00 0.00 2.00 0.00 0.00 34.13 36.63 1ubt s GLU 301 CO 0.00 -0.41 0.06 1.19 -0.56 0.00 0.00 175.26 175.54 1ubt n PHE 302 N 0.27 -0.24 -2.34 5.30 3.01 -1.26 -1.77 117.46 120.44 1ubt n PHE 302 Ca -0.18 0.09 -0.34 0.00 1.01 0.00 0.00 57.45 58.03 1ubt n PHE 302 Cb 0.61 -1.80 -0.01 0.00 -0.01 0.00 0.00 39.48 38.27 1ubt n PHE 302 CO 0.00 0.00 0.00 -1.25 1.01 0.00 0.00 176.76 176.52 1ubt s PRO 303 N -3.01 3.51 -0.07 -1.08 0.04 -1.26 -2.14 135.00 130.99 1ubt s PRO 303 Ca 0.00 1.47 0.14 0.00 0.04 0.00 0.00 61.00 62.65 1ubt s PRO 303 Cb -0.00 -2.04 -0.23 0.00 0.04 0.00 0.00 34.50 32.27 1ubt s PRO 303 CO 0.06 -0.69 0.56 1.63 0.04 0.00 0.00 177.00 178.60 1ubt n LYS 304 N -1.27 0.64 -3.94 4.56 4.76 -1.07 -4.88 118.16 116.97 1ubt n LYS 304 Ca 0.10 0.24 -0.29 0.00 -2.87 0.00 0.00 58.31 55.50 1ubt n LYS 304 Cb 0.52 -1.75 -0.16 0.00 -1.84 0.00 0.00 35.03 31.80 1ubt n LYS 304 CO 0.00 0.00 0.00 0.34 -1.37 0.00 0.00 177.40 176.37 1ubt s ASP 305 N -5.97 2.75 0.38 4.39 3.68 -1.26 -5.02 116.67 115.62 1ubt s ASP 305 Ca -0.06 -0.59 0.27 0.00 2.13 0.00 0.00 52.55 54.31 1ubt s ASP 305 Cb 0.08 -1.00 1.35 0.00 -1.45 0.00 0.00 42.92 41.89 1ubt s ASP 305 CO 0.83 -0.14 1.82 -0.33 0.13 0.00 0.00 175.17 177.48 1ubt h GLU 306 N 8.09 0.00 -0.43 4.34 4.39 -1.96 -2.20 114.58 126.81 1ubt h GLU 306 Ca -0.29 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.41 1ubt h GLU 306 Cb 1.12 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.77 1ubt h GLU 306 CO 0.44 0.00 0.00 0.66 -1.16 0.00 0.00 179.01 178.95 1ubt n TYR 307 N -2.46 0.57 -3.65 4.33 4.02 -1.26 -4.85 117.16 113.85 1ubt n TYR 307 Ca -0.01 -0.40 -0.29 0.00 -0.01 0.00 0.00 57.90 57.20 1ubt n TYR 307 Cb 0.12 -0.01 -0.15 0.00 -0.02 0.00 0.00 39.34 39.27 1ubt n TYR 307 CO 0.00 0.00 0.00 0.34 -1.01 0.00 0.00 176.86 176.19 1ubt s ASP 308 N -1.09 3.52 0.54 7.72 3.68 -0.83 -4.98 116.67 125.22 1ubt s ASP 308 Ca 0.33 -1.28 0.21 0.00 2.13 0.00 0.00 52.55 53.93 1ubt s ASP 308 Cb 0.18 -0.58 1.44 0.00 -1.45 0.00 0.00 42.92 42.51 1ubt s ASP 308 CO 0.24 -0.40 2.17 -0.07 0.13 0.00 0.00 175.17 177.24 1ubt h LEU 309 N 8.26 0.00 0.00 -1.34 3.38 -1.89 -1.34 115.31 122.39 1ubt h LEU 309 Ca -0.17 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.80 1ubt h LEU 309 Cb 1.04 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.79 1ubt h LEU 309 CO 0.42 0.01 0.00 0.59 0.09 0.00 0.00 178.44 179.56 1ubt n ASN 310 N -4.29 0.00 -0.34 -0.43 5.03 -1.26 -1.95 115.26 112.02 1ubt n ASN 310 Ca -0.03 -0.62 0.14 0.00 0.87 0.00 0.00 54.58 54.94 1ubt n ASN 310 Cb 0.10 -0.11 0.62 0.00 -1.02 0.00 0.00 39.78 39.37 1ubt n ASN 310 CO 0.00 0.00 0.00 -1.54 -1.83 0.00 0.00 177.26 173.89 1ubt n SER 311 N -1.11 1.07 -4.85 6.41 3.41 -0.50 -4.93 113.62 113.11 1ubt n SER 311 Ca 0.19 -1.38 -0.32 0.00 -0.26 0.00 0.00 58.87 57.10 1ubt n SER 311 Cb 0.15 -0.01 -0.05 0.00 -0.26 0.00 0.00 64.21 64.04 1ubt n SER 311 CO 0.00 0.00 0.00 -0.13 -0.16 0.00 0.00 175.04 174.75 1ubt s ARG 312 N -1.98 3.99 0.24 4.33 0.52 -0.82 -2.59 118.95 122.64 1ubt s ARG 312 Ca 0.40 0.78 -0.06 0.00 -0.52 0.00 0.00 55.73 56.32 1ubt s ARG 312 Cb 0.21 -2.31 0.24 0.00 0.52 0.00 0.00 34.95 33.60 1ubt s ARG 312 CO 0.33 -0.00 1.87 0.35 0.02 0.00 0.00 175.30 177.87 1ubt h PHE 313 N 1.72 1.22 -3.18 -0.53 3.57 -0.82 -3.34 116.94 115.58 1ubt h PHE 313 Ca -0.48 -0.02 -0.62 0.00 3.53 0.00 0.00 57.97 60.38 1ubt h PHE 313 Cb 1.18 -0.39 -0.13 0.00 2.79 0.00 0.00 35.95 39.40 1ubt h PHE 313 CO 0.62 0.84 -0.53 -0.06 -2.23 0.00 0.00 178.31 176.95 1ubt s PHE 314 N -5.86 3.36 0.21 0.41 0.08 -1.00 -4.98 117.98 110.20 1ubt s PHE 314 Ca -0.13 0.25 -0.07 0.00 0.12 0.00 0.00 56.93 57.10 1ubt s PHE 314 Cb 0.17 -2.07 -0.06 0.00 -0.57 0.00 0.00 43.02 40.49 1ubt s PHE 314 CO 0.83 0.31 0.48 0.15 -0.10 0.00 0.00 175.22 176.89 1ubt s LYS 315 N 0.08 3.70 0.89 0.44 3.01 -1.25 -0.86 119.74 125.74 1ubt s LYS 315 Ca 0.07 0.08 -0.11 0.00 -1.01 0.00 0.00 55.97 55.00 1ubt s LYS 315 Cb -0.12 -2.73 0.13 0.00 -1.01 0.00 0.00 37.83 34.10 1ubt s LYS 315 CO -0.00 0.36 1.09 -1.25 0.51 0.00 0.00 175.35 176.06 1ubt s PRO 316 N -2.90 1.29 0.00 -1.68 0.04 -1.25 -3.96 135.00 126.54 1ubt s PRO 316 Ca 0.44 0.87 0.00 0.00 0.04 0.00 0.00 61.00 62.36 1ubt s PRO 316 Cb -0.11 -1.81 0.00 0.00 0.04 0.00 0.00 34.50 32.62 1ubt s PRO 316 CO 0.24 -2.24 0.00 0.41 0.04 0.00 0.00 177.00 175.46 1ubt n GLY 317 N -1.05 0.60 2.91 0.56 0.00 -0.43 -4.80 105.19 102.97 1ubt n GLY 317 Ca 0.07 -0.80 -0.18 0.00 0.00 0.00 0.00 46.02 45.12 1ubt n GLY 317 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1ubt s VAL 318 N -2.00 0.43 -0.04 1.61 1.01 -0.55 -1.76 120.40 119.09 1ubt s VAL 318 Ca 0.00 -0.13 0.02 0.00 0.00 0.00 0.00 61.98 61.87 1ubt s VAL 318 Cb 0.00 -0.43 0.01 0.00 0.00 0.00 0.00 36.38 35.96 1ubt s VAL 318 CO 0.00 0.17 -0.10 -0.69 0.00 0.00 0.00 175.10 174.48 1ubt s VAL 319 N 0.50 0.92 -0.09 2.92 1.01 0.26 -0.92 120.40 125.01 1ubt s VAL 319 Ca -0.06 -0.39 -0.01 0.00 0.00 0.00 0.00 61.98 61.53 1ubt s VAL 319 Cb -0.09 -0.84 -0.03 0.00 0.00 0.00 0.00 36.38 35.42 1ubt s VAL 319 CO -0.00 0.30 -0.04 -0.36 0.00 0.00 0.00 175.10 174.99 1ubt s PHE 320 N 0.48 3.02 -1.52 5.22 0.08 -1.26 -0.59 117.98 123.40 1ubt s PHE 320 Ca -0.09 0.03 -0.11 0.00 0.12 0.00 0.00 56.93 56.88 1ubt s PHE 320 Cb -0.13 -1.77 0.08 0.00 -0.57 0.00 0.00 43.02 40.63 1ubt s PHE 320 CO 0.02 0.32 0.80 1.63 -0.10 0.00 0.00 175.22 177.89 1ubt n LYS 321 N 2.38 -4.52 -2.01 0.44 4.76 -0.58 -1.48 118.16 117.15 1ubt n LYS 321 Ca -0.18 0.52 -0.16 0.00 -2.87 0.00 0.00 58.31 55.62 1ubt n LYS 321 Cb 0.53 -5.20 -0.03 0.00 -1.84 0.00 0.00 35.03 28.49 1ubt n LYS 321 CO 0.00 0.00 0.00 0.54 -1.37 0.00 0.00 177.40 176.57 1ubt n ARG 322 N -4.51 -1.73 -2.79 1.97 1.74 0.05 -4.89 116.66 106.51 1ubt n ARG 322 Ca -0.06 0.83 -0.43 0.00 -0.77 0.00 0.00 57.85 57.42 1ubt n ARG 322 Cb 0.57 -5.31 -0.00 0.00 -1.02 0.00 0.00 32.46 26.69 1ubt n ARG 322 CO 0.00 0.00 0.00 0.34 -1.52 0.00 0.00 177.63 176.45 1ubt s ASP 323 N -2.16 6.94 0.00 0.55 3.68 -0.55 -4.78 116.67 120.35 1ubt s ASP 323 Ca 0.00 -2.68 0.30 0.00 2.13 0.00 0.00 52.55 52.29 1ubt s ASP 323 Cb 0.00 -2.48 1.38 0.00 -1.45 0.00 0.00 42.92 40.37 1ubt s ASP 323 CO 0.00 -0.95 1.99 0.49 0.13 0.00 0.00 175.17 176.82 1ubt n PHE 324 N 6.88 0.00 0.53 -5.34 3.72 -1.26 -2.19 117.46 119.79 1ubt n PHE 324 Ca 0.41 0.00 0.13 0.00 -0.05 0.00 0.00 57.45 57.94 1ubt n PHE 324 Cb 0.45 -0.38 0.39 0.00 -0.94 0.00 0.00 39.48 38.99 1ubt n PHE 324 CO 0.00 0.00 0.00 0.87 -0.05 0.00 0.00 176.76 177.58 1ubt h LYS 325 N 0.01 0.00 -2.17 -1.08 6.56 -1.94 -3.36 116.57 114.59 1ubt h LYS 325 Ca 0.00 0.00 -0.56 0.00 -1.06 0.00 0.00 60.65 59.03 1ubt h LYS 325 Cb 0.39 0.00 -0.41 0.00 -0.57 0.00 0.00 32.23 31.64 1ubt h LYS 325 CO 0.00 0.00 -0.82 0.09 -2.06 0.00 0.00 179.45 176.66 1ubt n ASN 326 N -2.42 2.98 -4.72 0.86 3.02 -0.93 -5.07 115.26 108.98 1ubt n ASN 326 Ca 0.05 -3.37 -0.42 0.00 -0.03 0.00 0.00 54.58 50.81 1ubt n ASN 326 Cb 0.42 -0.61 -0.03 0.00 -0.61 0.00 0.00 39.78 38.95 1ubt n ASN 326 CO 0.00 0.00 0.00 -0.63 -2.62 0.00 0.00 177.26 174.01 1ubt s ILE 327 N -3.22 3.13 -0.05 2.41 1.01 -1.26 -4.79 121.20 118.44 1ubt s ILE 327 Ca 0.43 0.81 -0.05 0.00 0.00 0.00 0.00 60.65 61.85 1ubt s ILE 327 Cb 0.26 -3.52 -0.04 0.00 0.01 0.00 0.00 42.46 39.17 1ubt s ILE 327 CO -0.10 0.06 0.19 -0.54 0.00 0.00 0.00 174.94 174.56 1ubt s LYS 328 N 1.08 3.48 0.60 2.79 -0.14 -0.09 -4.93 119.74 122.53 1ubt s LYS 328 Ca 0.66 -0.18 -0.19 0.00 -1.36 0.00 0.00 55.97 54.89 1ubt s LYS 328 Cb -0.39 -3.13 -0.03 0.00 -1.68 0.00 0.00 37.83 32.60 1ubt s LYS 328 CO 0.31 0.71 1.24 -1.25 -0.76 0.00 0.00 175.35 175.60 1ubt s PRO 329 N -1.54 2.89 -0.29 -1.68 0.04 -1.26 -1.48 135.00 131.67 1ubt s PRO 329 Ca 0.23 1.93 -0.28 0.00 0.04 0.00 0.00 61.00 62.91 1ubt s PRO 329 Cb -0.13 -1.95 0.01 0.00 0.04 0.00 0.00 34.50 32.48 1ubt s PRO 329 CO 0.13 -1.29 1.04 0.12 0.04 0.00 0.00 177.00 177.03 1ubt s PHE 330 N -1.51 3.22 -0.37 0.56 5.36 -1.26 -4.67 117.98 119.30 1ubt s PHE 330 Ca 0.78 1.25 -0.09 0.00 -0.96 0.00 0.00 56.93 57.91 1ubt s PHE 330 Cb -0.33 -3.51 0.04 0.00 -0.34 0.00 0.00 43.02 38.88 1ubt s PHE 330 CO 0.36 -0.66 0.19 0.34 -1.46 0.00 0.00 175.22 173.99 1ubt s ASP 331 N 1.51 5.58 0.20 6.13 3.68 -1.26 -4.97 116.67 127.54 1ubt s ASP 331 Ca 0.44 -1.17 0.19 0.00 2.13 0.00 0.00 52.55 54.14 1ubt s ASP 331 Cb -0.13 -1.97 0.87 0.00 -1.45 0.00 0.00 42.92 40.25 1ubt s ASP 331 CO 0.12 -0.41 1.59 2.29 0.13 0.00 0.00 175.17 178.90 1ubt n LYS 332 N 4.92 0.13 0.00 4.34 2.85 -1.26 -1.35 118.16 127.79 1ubt n LYS 332 Ca -0.12 0.45 0.14 0.00 -1.05 0.00 0.00 58.31 57.74 1ubt n LYS 332 Cb 0.45 -1.79 0.68 0.00 -0.65 0.00 0.00 35.03 33.71 1ubt n LYS 332 CO 0.00 0.00 0.00 -1.33 -0.05 0.00 0.00 177.40 176.02 1ubt n MET 333 N -2.05 0.51 -0.33 -1.58 2.81 -1.26 -3.66 117.12 111.56 1ubt n MET 333 Ca 0.01 -0.10 0.10 0.00 -1.81 0.00 0.00 57.70 55.91 1ubt n MET 333 Cb 0.16 -1.50 0.29 0.00 -0.71 0.00 0.00 33.22 31.46 1ubt n MET 333 CO 0.00 0.00 0.00 1.04 1.51 0.00 0.00 175.97 178.52 1ubt n GLN 334 N -1.16 2.51 -3.08 0.03 1.13 -0.46 -4.85 117.38 111.50 1ubt n GLN 334 Ca 0.14 -2.34 -0.40 0.00 -1.94 0.00 0.00 57.00 52.46 1ubt n GLN 334 Cb 0.26 -1.51 -0.05 0.00 0.11 0.00 0.00 30.24 29.06 1ubt n GLN 334 CO 0.00 0.00 0.00 0.42 -1.44 0.00 0.00 177.06 176.04 1ubt s ILE 335 N -1.13 5.03 0.02 5.09 1.01 -1.24 -1.68 121.20 128.30 1ubt s ILE 335 Ca 0.44 1.33 0.03 0.00 0.00 0.00 0.00 60.65 62.45 1ubt s ILE 335 Cb 0.23 -4.00 -0.02 0.00 0.01 0.00 0.00 42.46 38.68 1ubt s ILE 335 CO 0.30 0.18 -0.10 -1.61 0.00 0.00 0.00 174.94 173.71 1ubt s GLU 336 N 1.32 0.73 -0.27 2.79 2.02 -0.54 -4.14 118.70 120.60 1ubt s GLU 336 Ca 0.33 -0.55 -0.08 0.00 0.02 0.00 0.00 54.97 54.69 1ubt s GLU 336 Cb -0.17 -0.67 -0.02 0.00 0.10 0.00 0.00 34.13 33.37 1ubt s GLU 336 CO 0.14 0.17 0.10 -1.21 0.02 0.00 0.00 175.26 174.48 1ubt s GLU 337 N -0.81 3.55 0.36 1.61 2.02 0.23 -0.55 118.70 125.12 1ubt s GLU 337 Ca -0.00 -0.56 -0.17 0.00 0.02 0.00 0.00 54.97 54.26 1ubt s GLU 337 Cb -0.06 -3.42 -0.10 0.00 0.10 0.00 0.00 34.13 30.65 1ubt s GLU 337 CO 0.00 -0.27 0.81 -1.01 0.02 0.00 0.00 175.26 174.82 1ubt s HIS 338 N 1.62 3.36 0.00 1.61 3.76 0.11 -1.62 115.29 124.12 1ubt s HIS 338 Ca 0.06 1.34 0.00 0.00 -0.15 0.00 0.00 55.06 56.31 1ubt s HIS 338 Cb -0.16 -2.64 0.00 0.00 1.11 0.00 0.00 32.58 30.89 1ubt s HIS 338 CO 0.05 0.01 0.25 1.33 -0.85 0.00 0.00 174.74 175.53 1ubt n VAL 339 N -0.51 0.00 -0.03 -0.90 0.24 -1.26 -0.97 118.33 114.89 1ubt n VAL 339 Ca 0.05 -0.32 0.14 0.00 -2.04 0.00 0.00 64.34 62.16 1ubt n VAL 339 Cb 0.53 1.28 0.56 0.00 -1.47 0.00 0.00 33.84 34.74 1ubt n VAL 339 CO 0.00 0.00 0.00 -0.09 -2.14 0.00 0.00 176.83 174.60 1ubt h ARG 340 N 0.00 0.26 -0.28 7.34 1.12 -1.75 -0.83 114.38 120.23 1ubt h ARG 340 Ca 0.00 -0.02 -0.01 0.00 -1.11 0.00 0.00 59.98 58.84 1ubt h ARG 340 Cb 0.14 -0.06 -0.01 0.00 -0.01 0.00 0.00 29.97 30.03 1ubt h ARG 340 CO 0.00 0.17 0.00 0.72 -3.11 0.00 0.00 179.97 177.75 1ubt n HIS 341 N -4.45 1.02 -4.33 2.20 8.25 -1.26 -4.63 115.22 112.01 1ubt n HIS 341 Ca 0.09 -0.92 -0.24 0.00 -0.26 0.00 0.00 57.72 56.39 1ubt n HIS 341 Cb 0.41 -0.34 -0.08 0.00 1.12 0.00 0.00 29.99 31.10 1ubt n HIS 341 CO 0.00 0.00 0.00 -1.12 0.64 0.00 0.00 176.34 175.86 1ubt s SER 342 N -1.92 4.25 -1.44 0.41 0.01 -0.32 -1.49 113.70 113.20 1ubt s SER 342 Ca 0.43 -0.84 -0.08 0.00 1.31 0.00 0.00 55.95 56.77 1ubt s SER 342 Cb 0.35 -0.63 0.05 0.00 0.21 0.00 0.00 66.02 66.00 1ubt s SER 342 CO 0.09 -0.09 2.51 0.79 0.41 0.00 0.00 173.24 176.95 1ubt n TRP 343 N -0.88 2.66 -4.27 2.43 8.01 -0.32 -4.82 117.44 120.25 1ubt n TRP 343 Ca -0.05 -2.93 -0.15 0.00 -1.31 0.00 0.00 57.50 53.06 1ubt n TRP 343 Cb 0.60 -2.14 -0.10 0.00 -2.01 0.00 0.00 31.31 27.66 1ubt n TRP 343 CO 0.00 0.00 0.00 0.71 -1.01 0.00 0.00 177.69 177.39 1ubt s TYR 344 N 0.56 1.32 0.21 -5.99 1.51 -1.23 -0.75 117.35 112.99 1ubt s TYR 344 Ca 0.57 -0.93 -0.31 0.00 -1.01 0.00 0.00 57.07 55.39 1ubt s TYR 344 Cb 0.17 -0.74 -0.11 0.00 -0.11 0.00 0.00 41.96 41.17 1ubt s TYR 344 CO -0.07 -0.09 1.57 -1.21 -1.11 0.00 0.00 175.55 174.65 1ubt s GLU 345 N -3.86 4.19 2.28 -0.62 2.02 0.28 -4.64 118.70 118.35 1ubt s GLU 345 Ca 0.23 2.43 0.00 0.00 0.02 0.00 0.00 54.97 57.65 1ubt s GLU 345 Cb 0.05 -3.11 0.00 0.00 0.10 0.00 0.00 34.13 31.17 1ubt s GLU 345 CO 0.04 -0.60 0.00 0.41 0.02 0.00 0.00 175.26 175.13 1ubt n GLY 346 N 3.23 -1.08 0.00 -1.39 0.00 -1.26 -4.63 105.19 100.06 1ubt n GLY 346 Ca 0.12 -1.27 0.00 0.00 0.00 0.00 0.00 46.02 44.87 1ubt n GLY 346 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1ubt n ALA 347 N 3.03 0.90 -2.64 4.61 0.00 -1.26 -4.31 120.51 120.84 1ubt n ALA 347 Ca 0.00 -0.38 -0.41 0.00 0.00 0.00 0.00 53.44 52.65 1ubt n ALA 347 Cb 0.00 0.00 -0.06 0.00 0.00 0.00 0.00 19.45 19.39 1ubt n ALA 347 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 177.50 175.50 1ubt s GLU 348 N 0.00 4.17 0.53 0.00 2.12 -1.26 -4.33 118.70 119.93 1ubt s GLU 348 Ca 0.00 0.68 -0.20 0.00 0.36 0.00 0.00 54.97 55.81 1ubt s GLU 348 Cb 0.00 -3.62 -0.06 0.00 0.26 0.00 0.00 34.13 30.71 1ubt s GLU 348 CO 0.00 -0.37 1.15 0.00 -0.54 0.00 0.00 175.26 175.50 1ubt s ALA 349 N 2.36 2.74 -0.01 6.30 0.00 -1.26 -4.50 121.76 127.39 1ubt s ALA 349 Ca 0.29 0.88 0.01 0.00 0.00 0.00 0.00 51.96 53.15 1ubt s ALA 349 Cb -0.16 -3.38 0.00 0.00 0.00 0.00 0.00 23.12 19.58 1ubt s ALA 349 CO 0.09 -0.81 -0.04 1.03 0.00 0.00 0.00 175.76 176.04 1ubt s ARG 350 N -3.15 0.37 0.33 0.00 1.81 -0.64 -4.87 118.95 112.79 1ubt s ARG 350 Ca 0.71 -0.12 -0.29 0.00 -1.72 0.00 0.00 55.73 54.31 1ubt s ARG 350 Cb -0.26 -0.38 -0.10 0.00 -0.45 0.00 0.00 34.95 33.75 1ubt s ARG 350 CO 0.30 0.06 1.37 -1.58 -0.68 0.00 0.00 175.30 174.76 1ubt s HIS 351 N 0.09 2.95 0.58 -0.53 5.65 -1.26 -0.60 115.29 122.17 1ubt s HIS 351 Ca -0.01 1.29 0.41 0.00 0.25 0.00 0.00 55.06 57.01 1ubt s HIS 351 Cb -0.04 -3.78 2.21 0.00 -1.18 0.00 0.00 32.58 29.79 1ubt s HIS 351 CO -0.00 -2.24 2.31 -1.35 -0.65 0.00 0.00 174.74 172.80 1ubt h PRO 352 N 3.61 0.00 0.00 2.88 0.11 -1.95 0.14 132.00 136.79 1ubt h PRO 352 Ca -0.49 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.62 1ubt h PRO 352 Cb 1.23 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.34 1ubt h PRO 352 CO 0.67 0.01 0.00 0.91 -0.21 0.00 0.00 178.00 179.38 1ubt n TRP 353 N -3.19 0.00 -1.77 0.65 8.01 -1.26 -2.13 117.44 117.74 1ubt n TRP 353 Ca -0.03 0.00 0.03 0.00 -1.31 0.00 0.00 57.50 56.20 1ubt n TRP 353 Cb 0.11 -0.38 0.17 0.00 -2.01 0.00 0.00 31.31 29.19 1ubt n TRP 353 CO 0.00 0.00 0.00 1.63 -1.01 0.00 0.00 177.69 178.31 1ubt n LYS 354 N -1.38 1.53 -1.40 -0.99 5.02 0.43 -4.94 118.16 116.43 1ubt n LYS 354 Ca 0.09 -3.20 -0.31 0.00 -2.02 0.00 0.00 58.31 52.87 1ubt n LYS 354 Cb 0.22 -1.45 0.07 0.00 -0.02 0.00 0.00 35.03 33.86 1ubt n LYS 354 CO 0.00 0.00 0.00 0.20 -0.52 0.00 0.00 177.40 177.08 1ubt s GLY 355 N -3.10 1.70 -0.00 0.72 0.00 -0.88 -4.68 107.32 101.08 1ubt s GLY 355 Ca 0.38 0.22 0.00 0.00 0.00 0.00 0.00 44.72 45.33 1ubt s GLY 355 CO -0.07 0.55 -0.01 1.20 0.00 0.00 0.00 173.10 174.76 1ubt s GLN 356 N -4.90 0.14 -0.42 2.90 -0.21 -1.26 -5.02 119.66 110.87 1ubt s GLN 356 Ca 0.60 -0.04 0.02 0.00 0.02 0.00 0.00 55.36 55.96 1ubt s GLN 356 Cb -0.16 -0.16 0.14 0.00 1.00 0.00 0.00 33.01 33.83 1ubt s GLN 356 CO 0.55 0.01 0.25 0.99 -2.12 0.00 0.00 175.29 174.97 1ubt s THR 357 N 0.09 1.05 -0.59 -0.19 2.01 -1.26 -5.05 115.64 111.69 1ubt s THR 357 Ca -0.01 -2.41 0.04 0.00 0.31 0.00 0.00 61.69 59.63 1ubt s THR 357 Cb -0.02 -1.74 0.16 0.00 0.01 0.00 0.00 72.50 70.91 1ubt s THR 357 CO -0.00 -0.95 0.39 -1.10 -0.69 0.00 0.00 174.62 172.26 1ubt s GLN 358 N 0.45 2.03 0.48 4.92 -0.21 -1.26 -4.87 119.66 121.19 1ubt s GLN 358 Ca 0.19 -2.87 -0.24 0.00 0.02 0.00 0.00 55.36 52.46 1ubt s GLN 358 Cb -0.21 -3.05 -0.07 0.00 1.00 0.00 0.00 33.01 30.68 1ubt s GLN 358 CO -0.02 -1.24 1.37 -1.25 -2.12 0.00 0.00 175.29 172.04 1ubt s PRO 359 N -0.78 3.53 -0.29 2.91 0.04 -1.26 -0.56 135.00 138.59 1ubt s PRO 359 Ca 0.23 2.28 0.04 0.00 0.04 0.00 0.00 61.00 63.59 1ubt s PRO 359 Cb -0.12 -2.51 0.20 0.00 0.04 0.00 0.00 34.50 32.11 1ubt s PRO 359 CO -0.11 -0.89 0.58 0.21 0.04 0.00 0.00 177.00 176.83 1ubt s LYS 360 N -2.60 0.55 0.07 4.56 2.47 0.08 -4.65 119.74 120.22 1ubt s LYS 360 Ca 0.64 0.62 -0.24 0.00 -1.56 0.00 0.00 55.97 55.42 1ubt s LYS 360 Cb -0.41 0.27 -0.06 0.00 -1.46 0.00 0.00 37.83 36.17 1ubt s LYS 360 CO 0.51 -0.96 0.74 -0.47 0.16 0.00 0.00 175.35 175.33 1ubt s TYR 361 N 2.82 3.78 0.00 4.03 5.04 -1.26 -3.49 117.35 128.27 1ubt s TYR 361 Ca 0.12 1.48 0.00 0.00 -2.44 0.00 0.00 57.07 56.23 1ubt s TYR 361 Cb -0.11 -2.77 0.00 0.00 0.35 0.00 0.00 41.96 39.43 1ubt s TYR 361 CO -0.25 0.36 0.78 0.25 -1.34 0.00 0.00 175.55 175.35 1ubt n THR 362 N 2.44 0.61 -0.86 4.34 -2.24 -1.26 -5.10 114.28 112.20 1ubt n THR 362 Ca -0.04 -0.68 0.11 0.00 -2.27 0.00 0.00 64.05 61.18 1ubt n THR 362 Cb 0.50 0.74 -0.04 0.00 -2.10 0.00 0.00 70.33 69.43 1ubt n THR 362 CO 0.00 0.00 0.00 -0.67 -0.57 0.00 0.00 175.07 173.83 1ubt n ASP 363 N -0.31 -5.17 -4.64 3.42 4.64 -1.26 -3.65 116.55 109.58 1ubt n ASP 363 Ca 0.00 0.50 -0.43 0.00 -1.38 0.00 0.00 54.79 53.49 1ubt n ASP 363 Cb 0.27 -2.72 -0.03 0.00 -1.04 0.00 0.00 41.12 37.61 1ubt n ASP 363 CO 0.00 0.00 0.00 -0.76 -0.82 0.00 0.00 177.20 175.62 1ubt s LEU 364 N -5.80 4.09 -0.93 -2.67 1.43 -1.26 -1.46 118.68 112.08 1ubt s LEU 364 Ca 0.00 2.01 0.00 0.00 -1.03 0.00 0.00 54.13 55.11 1ubt s LEU 364 Cb 0.00 -3.53 0.00 0.00 0.03 0.00 0.00 46.19 42.69 1ubt s LEU 364 CO 0.00 -1.15 0.00 1.41 0.23 0.00 0.00 176.35 176.84 1ubt n HIS 365 N 8.05 0.00 -2.23 0.29 8.25 0.33 -4.98 115.22 124.93 1ubt n HIS 365 Ca 0.19 0.00 -0.42 0.00 -0.26 0.00 0.00 57.72 57.23 1ubt n HIS 365 Cb 0.44 -1.98 -0.03 0.00 1.12 0.00 0.00 29.99 29.54 1ubt n HIS 365 CO 0.00 0.00 0.00 0.20 0.64 0.00 0.00 176.34 177.18 1ubt s GLY 366 N -2.60 1.86 -1.36 -1.41 0.00 -0.54 -2.17 107.32 101.10 1ubt s GLY 366 Ca 0.00 0.87 -0.04 0.00 0.00 0.00 0.00 44.72 45.55 1ubt s GLY 366 CO 0.00 2.51 0.29 1.34 0.00 0.00 0.00 173.10 177.24 1ubt n ASP 367 N 5.40 -4.76 -1.35 1.64 4.64 -1.26 -1.61 116.55 119.24 1ubt n ASP 367 Ca 0.13 -0.12 -0.15 0.00 -1.38 0.00 0.00 54.79 53.28 1ubt n ASP 367 Cb 0.44 -3.94 -0.04 0.00 -1.04 0.00 0.00 41.12 36.54 1ubt n ASP 367 CO 0.00 0.00 0.00 -0.67 -0.82 0.00 0.00 177.20 175.71 1ubt n ASP 368 N -2.16 -4.61 -4.53 1.67 4.64 -0.92 -4.93 116.55 105.70 1ubt n ASP 368 Ca -0.12 0.20 -0.34 0.00 -1.38 0.00 0.00 54.79 53.15 1ubt n ASP 368 Cb 0.61 -3.56 -0.12 0.00 -1.04 0.00 0.00 41.12 37.01 1ubt n ASP 368 CO 0.00 0.00 0.00 -0.13 -0.82 0.00 0.00 177.20 176.25 1ubt s ARG 369 N -3.89 2.85 0.00 -0.67 0.52 -0.63 -4.46 118.95 112.67 1ubt s ARG 369 Ca 0.00 -0.59 0.00 0.00 -0.52 0.00 0.00 55.73 54.62 1ubt s ARG 369 Cb 0.00 -2.58 0.00 0.00 0.52 0.00 0.00 34.95 32.89 1ubt s ARG 369 CO 0.00 0.57 0.75 2.48 0.02 0.00 0.00 175.30 179.11 1ubt n TYR 370 N 2.50 0.00 -3.61 -0.53 4.11 -0.56 -0.52 117.16 118.56 1ubt n TYR 370 Ca -0.18 0.00 -0.16 0.00 -0.00 0.00 0.00 57.90 57.56 1ubt n TYR 370 Cb 0.53 0.09 -0.07 0.00 -0.00 0.00 0.00 39.34 39.89 1ubt n TYR 370 CO 0.00 0.00 0.00 0.45 -0.00 0.00 0.00 176.86 177.31 1ubt s SER 371 N -0.51 -0.47 0.00 9.48 0.15 -1.24 -4.17 113.70 116.94 1ubt s SER 371 Ca 0.00 0.44 0.29 0.00 0.70 0.00 0.00 55.95 57.37 1ubt s SER 371 Cb 0.00 0.45 1.17 0.00 -1.71 0.00 0.00 66.02 65.93 1ubt s SER 371 CO 0.00 -0.57 1.85 0.79 1.20 0.00 0.00 173.24 176.51 1ubt n TRP 372 N 0.98 0.00 -2.83 3.44 7.02 -0.64 -1.17 117.44 124.24 1ubt n TRP 372 Ca -0.20 0.00 -0.38 0.00 -1.02 0.00 0.00 57.50 55.90 1ubt n TRP 372 Cb 0.57 -0.32 -0.06 0.00 -2.42 0.00 0.00 31.31 29.08 1ubt n TRP 372 CO 0.00 0.00 0.00 -1.64 -2.02 0.00 0.00 177.69 174.03 1ubt s MET 373 N -2.75 4.63 0.96 -0.99 -1.94 -1.26 -4.80 119.30 113.14 1ubt s MET 373 Ca 0.21 1.31 -0.12 0.00 -1.71 0.00 0.00 55.69 55.37 1ubt s MET 373 Cb 0.19 -2.99 0.16 0.00 2.01 0.00 0.00 34.83 34.20 1ubt s MET 373 CO 0.53 0.39 1.12 0.15 -0.01 0.00 0.00 175.02 177.19 1ubt s LYS 374 N -1.70 0.77 -0.50 2.03 1.02 -1.26 -4.44 119.74 115.66 1ubt s LYS 374 Ca 0.45 0.38 0.04 0.00 0.02 0.00 0.00 55.97 56.86 1ubt s LYS 374 Cb -0.21 -1.79 0.13 0.00 -0.52 0.00 0.00 37.83 35.44 1ubt s LYS 374 CO 0.26 -2.47 0.24 0.00 -0.92 0.00 0.00 175.35 172.46 1ubt s ALA 375 N -3.14 3.26 0.31 5.17 0.00 -0.14 -4.26 121.76 122.96 1ubt s ALA 375 Ca 0.65 -3.20 -0.29 0.00 0.00 0.00 0.00 51.96 49.12 1ubt s ALA 375 Cb -0.17 -2.14 -0.10 0.00 0.00 0.00 0.00 23.12 20.71 1ubt s ALA 375 CO 0.55 -1.99 1.31 -2.14 0.00 0.00 0.00 175.76 173.49 1ubt s PRO 376 N -0.17 4.37 0.02 0.00 0.02 -1.26 -0.72 135.00 137.26 1ubt s PRO 376 Ca 0.16 2.19 0.03 0.00 0.02 0.00 0.00 61.00 63.40 1ubt s PRO 376 Cb -0.25 -3.09 -0.02 0.00 0.02 0.00 0.00 34.50 31.16 1ubt s PRO 376 CO -0.01 -0.19 -0.10 1.03 -0.33 0.00 0.00 177.00 177.41 1ubt s ARG 377 N -1.50 0.68 -0.23 5.54 1.81 0.29 -4.65 118.95 120.89 1ubt s ARG 377 Ca 0.50 -0.55 -0.04 0.00 -1.72 0.00 0.00 55.73 53.92 1ubt s ARG 377 Cb -0.39 -0.61 -0.00 0.00 -0.45 0.00 0.00 34.95 33.49 1ubt s ARG 377 CO 0.50 0.15 -0.04 -0.47 -0.68 0.00 0.00 175.30 174.76 1ubt s TYR 378 N -0.71 2.97 -1.46 -0.53 6.14 -0.30 -1.47 117.35 121.99 1ubt s TYR 378 Ca -0.01 -0.99 -0.14 0.00 0.64 0.00 0.00 57.07 56.57 1ubt s TYR 378 Cb -0.06 -2.11 0.11 0.00 0.42 0.00 0.00 41.96 40.32 1ubt s TYR 378 CO 0.00 -0.57 0.65 -1.33 0.64 0.00 0.00 175.55 174.95 1ubt n MET 379 N 4.79 -3.43 -0.95 4.97 2.81 -0.68 -0.63 117.12 124.00 1ubt n MET 379 Ca -0.18 0.42 0.00 0.00 -1.81 0.00 0.00 57.70 56.13 1ubt n MET 379 Cb 0.50 -5.15 0.00 0.00 -0.71 0.00 0.00 33.22 27.86 1ubt n MET 379 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 1ubt n GLY 380 N -1.29 0.85 3.74 3.03 0.00 -1.26 -5.03 105.19 105.23 1ubt n GLY 380 Ca 0.04 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.75 1ubt n GLY 380 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1ubt s GLU 381 N -0.12 2.76 0.10 1.61 0.41 0.20 -4.96 118.70 118.70 1ubt s GLU 381 Ca 0.00 -0.73 -0.30 0.00 -0.41 0.00 0.00 54.97 53.53 1ubt s GLU 381 Cb 0.00 -2.66 -0.06 0.00 -1.78 0.00 0.00 34.13 29.63 1ubt s GLU 381 CO 0.00 0.56 1.13 -1.25 -0.49 0.00 0.00 175.26 175.22 1ubt s PRO 382 N -2.27 4.51 -0.09 0.39 0.04 -1.26 -1.14 135.00 135.18 1ubt s PRO 382 Ca 0.27 1.71 0.02 0.00 0.04 0.00 0.00 61.00 63.04 1ubt s PRO 382 Cb -0.12 -3.33 0.01 0.00 0.04 0.00 0.00 34.50 31.10 1ubt s PRO 382 CO 0.19 -0.10 -0.14 -1.64 0.04 0.00 0.00 177.00 175.35 1ubt s MET 383 N 0.50 2.03 0.25 4.56 -1.94 -1.26 -4.45 119.30 118.97 1ubt s MET 383 Ca 0.54 -0.51 -0.30 0.00 -1.71 0.00 0.00 55.69 53.72 1ubt s MET 383 Cb -0.28 -1.69 -0.09 0.00 2.01 0.00 0.00 34.83 34.77 1ubt s MET 383 CO 0.31 -0.01 1.20 -2.00 -0.01 0.00 0.00 175.02 174.52 1ubt s GLU 384 N 0.82 4.50 0.27 2.03 2.12 0.00 -4.21 118.70 124.23 1ubt s GLU 384 Ca -0.11 1.95 0.03 0.00 0.36 0.00 0.00 54.97 57.20 1ubt s GLU 384 Cb -0.15 -3.18 -0.06 0.00 0.26 0.00 0.00 34.13 31.00 1ubt s GLU 384 CO 0.02 -0.03 0.06 -0.08 -0.54 0.00 0.00 175.26 174.68 1ubt s THR 385 N -0.63 0.87 0.00 -1.70 -1.32 -1.26 -1.28 115.64 110.32 1ubt s THR 385 Ca 0.50 -2.01 0.00 0.00 -1.21 0.00 0.00 61.69 58.97 1ubt s THR 385 Cb -0.34 -2.60 0.00 0.00 -1.51 0.00 0.00 72.50 68.05 1ubt s THR 385 CO 0.42 -0.09 0.00 0.61 -2.21 0.00 0.00 174.62 173.34 1ubt n GLY 386 N -0.51 0.21 0.36 6.08 0.00 -1.04 -4.70 105.19 105.58 1ubt n GLY 386 Ca -0.02 -2.30 0.06 0.00 0.00 0.00 0.00 46.02 43.76 1ubt n GLY 386 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 1ubt h PRO 387 N 7.45 0.97 -0.52 1.61 0.11 -1.82 -0.10 132.00 139.71 1ubt h PRO 387 Ca 0.00 -0.06 -0.10 0.00 0.11 0.00 0.00 66.00 65.95 1ubt h PRO 387 Cb 0.00 -0.22 -0.02 0.00 0.11 0.00 0.00 31.00 30.87 1ubt h PRO 387 CO 0.00 0.64 -0.09 1.25 -0.21 0.00 0.00 178.00 179.59 1ubt h LEU 388 N 1.00 0.94 -0.39 2.35 6.46 -1.86 0.10 115.31 123.92 1ubt h LEU 388 Ca 0.47 -0.30 -0.06 0.00 -0.12 0.00 0.00 57.88 57.87 1ubt h LEU 388 Cb 0.41 -0.26 -0.01 0.00 -0.73 0.00 0.00 40.66 40.07 1ubt h LEU 388 CO -0.25 1.05 -0.01 0.00 -0.62 0.00 0.00 178.44 178.62 1ubt h ALA 389 N 1.03 0.52 -0.40 1.25 0.00 -1.59 -1.00 119.26 119.07 1ubt h ALA 389 Ca 0.14 -0.26 -0.03 0.00 0.00 0.00 0.00 54.91 54.76 1ubt h ALA 389 Cb 0.63 -0.14 -0.02 0.00 0.00 0.00 0.00 17.79 18.26 1ubt h ALA 389 CO 0.04 0.31 0.12 0.37 0.00 0.00 0.00 179.25 180.09 1ubt h GLN 390 N 0.51 0.62 -0.07 0.00 4.15 -0.85 -1.22 115.11 118.26 1ubt h GLN 390 Ca 0.11 -0.13 -0.01 0.00 0.77 0.00 0.00 58.65 59.38 1ubt h GLN 390 Cb 0.49 -0.09 -0.00 0.00 0.21 0.00 0.00 27.48 28.09 1ubt h GLN 390 CO 0.02 0.62 -0.02 0.28 -1.93 0.00 0.00 178.83 177.81 1ubt h VAL 391 N 0.50 1.29 -0.55 2.39 2.07 -0.97 -1.15 116.25 119.83 1ubt h VAL 391 Ca 0.13 -0.92 -0.10 0.00 0.82 0.00 0.00 66.70 66.64 1ubt h VAL 391 Cb 0.26 1.77 -0.02 0.00 -1.52 0.00 0.00 31.29 31.78 1ubt h VAL 391 CO -0.00 0.25 -0.05 -0.07 0.02 0.00 0.00 177.57 177.72 1ubt h LEU 392 N -0.21 0.96 -0.16 2.57 3.38 -1.15 0.62 115.31 121.32 1ubt h LEU 392 Ca 0.02 -0.28 -0.16 0.00 0.09 0.00 0.00 57.88 57.54 1ubt h LEU 392 Cb 0.41 -0.26 0.00 0.00 0.09 0.00 0.00 40.66 40.90 1ubt h LEU 392 CO 0.01 1.04 -0.52 0.40 0.09 0.00 0.00 178.44 179.46 1ubt h ILE 393 N 0.89 1.33 -0.51 1.22 2.04 -1.23 -1.78 117.51 119.47 1ubt h ILE 393 Ca 0.15 -1.77 -0.01 0.00 1.00 0.00 0.00 64.86 64.24 1ubt h ILE 393 Cb 0.58 1.99 -0.02 0.00 -0.74 0.00 0.00 36.82 38.62 1ubt h ILE 393 CO 0.04 0.55 0.30 0.00 0.00 0.00 0.00 178.15 179.03 1ubt h ALA 394 N 0.55 0.65 -0.40 1.87 0.00 -1.08 -0.99 119.26 119.86 1ubt h ALA 394 Ca -0.02 -0.07 0.07 0.00 0.00 0.00 0.00 54.91 54.89 1ubt h ALA 394 Cb 1.14 -0.20 -0.07 0.00 0.00 0.00 0.00 17.79 18.66 1ubt h ALA 394 CO 0.11 0.14 -0.03 -0.92 0.00 0.00 0.00 179.25 178.56 1ubt h TYR 395 N 0.67 -0.08 0.00 0.00 3.20 -0.80 -1.59 116.97 118.38 1ubt h TYR 395 Ca 0.18 0.03 0.00 0.00 3.14 0.00 0.00 58.73 62.08 1ubt h TYR 395 Cb 0.01 0.09 0.00 0.00 1.54 0.00 0.00 36.73 38.37 1ubt h TYR 395 CO -0.02 -0.11 0.00 0.77 -1.64 0.00 0.00 178.16 177.16 1ubt h SER 396 N 0.07 0.00 0.11 -2.11 0.02 -0.76 -1.06 113.55 109.81 1ubt h SER 396 Ca 0.19 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.14 1ubt h SER 396 Cb 0.28 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.82 1ubt h SER 396 CO -0.35 0.00 -0.04 0.00 -1.14 0.00 0.00 176.83 175.30 1ubt n GLN 397 N -2.67 1.16 -0.71 3.45 6.02 -0.43 -4.95 117.38 119.26 1ubt n GLN 397 Ca 0.02 -0.46 0.00 0.00 -0.01 0.00 0.00 57.00 56.54 1ubt n GLN 397 Cb 0.28 -1.49 0.00 0.00 1.02 0.00 0.00 30.24 30.05 1ubt n GLN 397 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 1ubt n GLY 398 N 1.16 0.57 3.60 1.08 0.00 -0.40 -4.99 105.19 106.21 1ubt n GLY 398 Ca 0.19 -0.69 -0.45 0.00 0.00 0.00 0.00 46.02 45.06 1ubt n GLY 398 CO 0.00 0.00 0.00 1.57 0.00 0.00 0.00 173.32 174.89 1ubt n HIS 399 N -2.71 2.07 0.02 1.61 -0.00 -0.68 -4.86 115.22 110.68 1ubt n HIS 399 Ca 0.00 -0.07 -0.03 0.00 -0.00 0.00 0.00 57.72 57.61 1ubt n HIS 399 Cb 0.00 -2.69 0.20 0.00 -0.00 0.00 0.00 29.99 27.50 1ubt n HIS 399 CO 0.00 0.00 0.00 -1.35 -0.00 0.00 0.00 176.34 174.99 1ubt h PRO 400 N 12.57 0.46 -0.10 1.57 0.11 -1.94 -0.20 132.00 144.48 1ubt h PRO 400 Ca -0.42 -0.18 -0.17 0.00 0.11 0.00 0.00 66.00 65.34 1ubt h PRO 400 Cb 1.26 -0.02 0.01 0.00 0.11 0.00 0.00 31.00 32.36 1ubt h PRO 400 CO 0.97 0.70 -0.60 0.87 -0.21 0.00 0.00 178.00 179.73 1ubt h LYS 401 N 0.41 0.58 -0.80 1.05 1.79 -1.99 -1.00 116.57 116.60 1ubt h LYS 401 Ca 0.06 -0.49 -0.03 0.00 -2.18 0.00 0.00 60.65 58.00 1ubt h LYS 401 Cb 0.70 0.11 -0.04 0.00 -1.58 0.00 0.00 32.23 31.42 1ubt h LYS 401 CO 0.05 1.12 0.38 0.28 -1.08 0.00 0.00 179.45 180.20 1ubt h VAL 402 N 0.20 1.25 -0.57 0.50 2.07 -1.93 -1.64 116.25 116.14 1ubt h VAL 402 Ca -0.05 -0.72 -0.06 0.00 0.82 0.00 0.00 66.70 66.70 1ubt h VAL 402 Cb 1.24 0.24 -0.02 0.00 -1.52 0.00 0.00 31.29 31.23 1ubt h VAL 402 CO 0.12 0.30 0.13 0.50 0.02 0.00 0.00 177.57 178.65 1ubt h LYS 403 N 1.14 0.91 -0.62 1.57 3.64 -0.88 0.57 116.57 122.90 1ubt h LYS 403 Ca 0.28 -0.22 -0.05 0.00 -1.27 0.00 0.00 60.65 59.38 1ubt h LYS 403 Cb 0.13 -0.12 -0.03 0.00 -0.41 0.00 0.00 32.23 31.80 1ubt h LYS 403 CO -0.03 0.85 0.19 0.00 -2.27 0.00 0.00 179.45 178.19 1ubt h ALA 404 N 1.02 0.81 0.00 5.00 0.00 -0.84 -0.83 119.26 124.43 1ubt h ALA 404 Ca 0.18 -0.21 -0.16 0.00 0.00 0.00 0.00 54.91 54.72 1ubt h ALA 404 Cb 0.36 -0.24 -0.03 0.00 0.00 0.00 0.00 17.79 17.88 1ubt h ALA 404 CO 0.00 0.48 -1.12 -0.39 0.00 0.00 0.00 179.25 178.23 1ubt h VAL 405 N 0.89 0.70 -0.23 0.00 -1.51 -1.15 -2.45 116.25 112.50 1ubt h VAL 405 Ca 0.20 -2.18 -0.14 0.00 -1.23 0.00 0.00 66.70 63.35 1ubt h VAL 405 Cb 0.30 2.22 -0.01 0.00 -2.13 0.00 0.00 31.29 31.66 1ubt h VAL 405 CO -0.01 0.40 -0.44 0.71 -1.23 0.00 0.00 177.57 177.00 1ubt h THR 406 N 0.00 1.30 -0.74 7.19 1.35 -0.71 -1.06 112.91 120.24 1ubt h THR 406 Ca -0.11 -1.63 -0.01 0.00 -0.55 0.00 0.00 66.41 64.11 1ubt h THR 406 Cb 1.55 1.61 -0.04 0.00 -1.73 0.00 0.00 68.15 69.54 1ubt h THR 406 CO 0.06 0.51 0.41 0.44 -0.25 0.00 0.00 175.52 176.69 1ubt h ASP 407 N 0.47 0.90 -0.51 5.36 3.32 -1.20 -0.03 116.42 124.73 1ubt h ASP 407 Ca 0.03 -0.07 -0.12 0.00 0.02 0.00 0.00 57.03 56.90 1ubt h ASP 407 Cb 0.96 -0.23 -0.02 0.00 0.22 0.00 0.00 39.33 40.26 1ubt h ASP 407 CO 0.09 0.72 -0.13 0.00 -1.72 0.00 0.00 179.24 178.20 1ubt h ALA 408 N 1.43 0.78 -0.28 3.45 0.00 -0.92 -0.21 119.26 123.51 1ubt h ALA 408 Ca 0.26 -0.36 -0.02 0.00 0.00 0.00 0.00 54.91 54.79 1ubt h ALA 408 Cb 0.01 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 17.60 1ubt h ALA 408 CO -0.04 0.67 0.09 0.28 0.00 0.00 0.00 179.25 180.24 1ubt h VAL 409 N 0.89 1.20 -0.66 0.00 2.07 -0.78 0.12 116.25 119.09 1ubt h VAL 409 Ca 0.13 -0.64 0.03 0.00 0.82 0.00 0.00 66.70 67.05 1ubt h VAL 409 Cb 0.69 1.09 -0.04 0.00 -1.52 0.00 0.00 31.29 31.51 1ubt h VAL 409 CO 0.05 0.21 0.40 -0.07 0.02 0.00 0.00 177.57 178.19 1ubt h LEU 410 N 0.29 0.65 -0.49 2.57 4.07 -0.86 -1.59 115.31 119.95 1ubt h LEU 410 Ca 0.09 0.01 -0.13 0.00 0.08 0.00 0.00 57.88 57.93 1ubt h LEU 410 Cb 0.24 -0.13 -0.01 0.00 1.08 0.00 0.00 40.66 41.83 1ubt h LEU 410 CO -0.00 0.45 -0.20 0.00 -1.08 0.00 0.00 178.44 177.61 1ubt h ALA 411 N 1.29 0.68 -0.59 1.53 0.00 -0.73 -0.20 119.26 121.25 1ubt h ALA 411 Ca 0.27 -0.39 -0.01 0.00 0.00 0.00 0.00 54.91 54.78 1ubt h ALA 411 Cb 0.05 -0.17 -0.03 0.00 0.00 0.00 0.00 17.79 17.64 1ubt h ALA 411 CO -0.12 0.66 0.31 -0.22 0.00 0.00 0.00 179.25 179.89 1ubt h LYS 412 N 0.86 0.83 0.00 0.00 1.63 -0.39 -2.62 116.57 116.88 1ubt h LYS 412 Ca 0.11 -0.10 0.00 0.00 -0.85 0.00 0.00 60.65 59.81 1ubt h LYS 412 Cb 0.78 -0.16 0.00 0.00 -0.60 0.00 0.00 32.23 32.25 1ubt h LYS 412 CO 0.06 0.64 0.00 -0.07 -3.45 0.00 0.00 179.45 176.64 1ubt h LEU 413 N 0.80 0.00 0.16 5.20 3.38 -1.08 -3.47 115.31 120.29 1ubt h LEU 413 Ca 0.21 0.00 -0.19 0.00 0.09 0.00 0.00 57.88 57.99 1ubt h LEU 413 Cb 0.07 0.00 0.03 0.00 0.09 0.00 0.00 40.66 40.85 1ubt h LEU 413 CO -0.03 0.00 -0.28 0.61 0.09 0.00 0.00 178.44 178.83 1ubt n GLY 414 N 0.72 0.13 3.40 0.83 0.00 -0.13 -5.01 105.19 105.14 1ubt n GLY 414 Ca 0.04 -0.36 -0.21 0.00 0.00 0.00 0.00 46.02 45.48 1ubt n GLY 414 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1ubt s VAL 415 N -2.83 2.10 0.69 1.61 -7.23 -0.97 -5.05 120.40 108.71 1ubt s VAL 415 Ca 0.14 -2.27 -0.07 0.00 -1.81 0.00 0.00 61.98 57.97 1ubt s VAL 415 Cb -0.06 -2.15 0.05 0.00 0.56 0.00 0.00 36.38 34.78 1ubt s VAL 415 CO 0.18 -0.47 1.01 -0.83 -0.31 0.00 0.00 175.10 174.68 1ubt s GLY 416 N -3.33 1.67 0.52 2.32 0.00 -1.26 -4.62 107.32 102.62 1ubt s GLY 416 Ca 0.25 -0.85 0.22 0.00 0.00 0.00 0.00 44.72 44.34 1ubt s GLY 416 CO 0.11 -0.46 2.12 -0.56 0.00 0.00 0.00 173.10 174.30 1ubt h PRO 417 N -0.56 0.00 0.00 2.90 0.13 -2.01 -0.54 132.00 131.92 1ubt h PRO 417 Ca -0.45 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.68 1ubt h PRO 417 Cb 1.30 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.43 1ubt h PRO 417 CO 0.61 0.08 0.00 0.93 -0.23 0.00 0.00 178.00 179.39 1ubt h GLU 418 N 0.00 0.00 -0.05 0.86 3.07 -2.00 -0.30 114.58 116.17 1ubt h GLU 418 Ca -0.00 0.00 0.01 0.00 -0.50 0.00 0.00 59.36 58.87 1ubt h GLU 418 Cb 0.16 0.00 -0.00 0.00 -0.84 0.00 0.00 28.75 28.07 1ubt h GLU 418 CO 0.01 0.00 0.06 0.00 -1.40 0.00 0.00 179.01 177.68 1ubt h ALA 419 N 2.07 1.54 0.00 3.43 0.00 -1.43 -2.54 119.26 122.34 1ubt h ALA 419 Ca 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 1ubt h ALA 419 Cb 0.17 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.96 1ubt h ALA 419 CO 0.00 -0.08 0.00 -0.07 0.00 0.00 0.00 179.25 179.10 1ubt h LEU 420 N 0.00 0.00 -6.22 0.00 3.38 -1.22 -3.32 115.31 107.93 1ubt h LEU 420 Ca 0.02 0.00 -0.75 0.00 0.09 0.00 0.00 57.88 57.24 1ubt h LEU 420 Cb 0.14 0.00 -0.14 0.00 0.09 0.00 0.00 40.66 40.75 1ubt h LEU 420 CO -0.00 0.00 2.18 0.49 0.09 0.00 0.00 178.44 181.20 1ubt n PHE 421 N -2.82 2.85 -3.75 1.13 3.72 -0.96 -3.90 117.46 113.73 1ubt n PHE 421 Ca 0.02 -2.80 -0.04 0.00 -0.05 0.00 0.00 57.45 54.58 1ubt n PHE 421 Cb 0.31 -1.95 -0.01 0.00 -0.94 0.00 0.00 39.48 36.89 1ubt n PHE 421 CO 0.00 0.00 0.00 -1.54 -0.05 0.00 0.00 176.76 175.17 1ubt s SER 422 N 0.83 -0.18 0.17 4.37 1.04 -1.25 -3.84 113.70 114.83 1ubt s SER 422 Ca 0.43 -0.40 -0.14 0.00 0.48 0.00 0.00 55.95 56.32 1ubt s SER 422 Cb 0.12 0.49 0.12 0.00 0.10 0.00 0.00 66.02 66.85 1ubt s SER 422 CO -0.02 -0.91 1.77 0.74 0.98 0.00 0.00 173.24 175.80 1ubt h THR 423 N 2.00 0.93 -0.55 2.02 2.02 -0.67 0.61 112.91 119.26 1ubt h THR 423 Ca -0.24 -0.14 -0.00 0.00 0.77 0.00 0.00 66.41 66.79 1ubt h THR 423 Cb 1.23 0.47 -0.03 0.00 -1.74 0.00 0.00 68.15 68.09 1ubt h THR 423 CO 0.25 0.08 0.33 0.25 0.37 0.00 0.00 175.52 176.80 1ubt h LEU 424 N 0.42 0.66 -0.97 2.58 7.12 -1.67 -1.88 115.31 121.57 1ubt h LEU 424 Ca 0.21 -0.06 -0.08 0.00 0.13 0.00 0.00 57.88 58.08 1ubt h LEU 424 Cb 0.14 -0.17 -0.02 0.00 -0.53 0.00 0.00 40.66 40.09 1ubt h LEU 424 CO -0.17 0.53 -0.08 1.23 -0.13 0.00 0.00 178.44 179.83 1ubt h GLY 425 N 0.74 0.71 0.96 3.75 0.00 -1.47 -0.48 103.07 107.28 1ubt h GLY 425 Ca 0.20 -0.49 -0.05 0.00 0.00 0.00 0.00 47.33 46.98 1ubt h GLY 425 CO -0.04 0.46 0.06 -0.09 0.00 0.00 0.00 176.54 176.93 1ubt h ARG 426 N 0.61 0.74 -0.66 4.80 2.43 -0.72 0.14 114.38 121.71 1ubt h ARG 426 Ca 0.11 -0.20 -0.01 0.00 -0.81 0.00 0.00 59.98 59.07 1ubt h ARG 426 Cb 0.50 -0.08 -0.03 0.00 -0.42 0.00 0.00 29.97 29.93 1ubt h ARG 426 CO 0.03 0.77 0.36 1.15 -1.51 0.00 0.00 179.97 180.77 1ubt h THR 427 N 0.60 1.21 -0.70 0.20 2.02 -0.96 -1.50 112.91 113.79 1ubt h THR 427 Ca 0.13 -0.53 -0.07 0.00 0.77 0.00 0.00 66.41 66.72 1ubt h THR 427 Cb 0.39 0.35 -0.03 0.00 -1.74 0.00 0.00 68.15 67.13 1ubt h THR 427 CO 0.01 0.23 0.18 0.00 0.37 0.00 0.00 175.52 176.30 1ubt h ALA 428 N 1.18 0.92 -0.70 6.16 0.00 -0.83 -2.76 119.26 123.21 1ubt h ALA 428 Ca 0.23 -0.24 -0.01 0.00 0.00 0.00 0.00 54.91 54.89 1ubt h ALA 428 Cb 0.04 -0.27 -0.03 0.00 0.00 0.00 0.00 17.79 17.53 1ubt h ALA 428 CO -0.04 0.63 0.40 0.00 0.00 0.00 0.00 179.25 180.25 1ubt h ALA 429 N 1.08 1.39 -0.72 0.00 0.00 -0.38 -0.01 119.26 120.62 1ubt h ALA 429 Ca 0.22 -0.09 0.01 0.00 0.00 0.00 0.00 54.91 55.04 1ubt h ALA 429 Cb 0.36 -0.28 -0.04 0.00 0.00 0.00 0.00 17.79 17.83 1ubt h ALA 429 CO 0.00 0.52 0.47 -0.09 0.00 0.00 0.00 179.25 180.15 1ubt h ARG 430 N 0.97 0.93 -0.39 0.00 2.43 -1.00 -0.29 114.38 117.04 1ubt h ARG 430 Ca 0.25 -0.06 -0.06 0.00 -0.81 0.00 0.00 59.98 59.30 1ubt h ARG 430 Cb -0.01 -0.21 -0.01 0.00 -0.42 0.00 0.00 29.97 29.32 1ubt h ARG 430 CO -0.04 0.62 0.00 0.78 -1.51 0.00 0.00 179.97 179.81 1ubt h GLY 431 N 0.96 0.73 0.53 2.80 0.00 -1.09 -2.36 103.07 104.65 1ubt h GLY 431 Ca 0.27 -0.54 0.05 0.00 0.00 0.00 0.00 47.33 47.11 1ubt h GLY 431 CO -0.06 0.50 -0.02 -2.22 0.00 0.00 0.00 176.54 174.73 1ubt h ILE 432 N 0.50 0.78 -0.30 2.60 2.04 -0.67 -0.82 117.51 121.64 1ubt h ILE 432 Ca 0.11 -0.02 -0.06 0.00 1.00 0.00 0.00 64.86 65.89 1ubt h ILE 432 Cb 0.47 0.72 -0.02 0.00 -0.74 0.00 0.00 36.82 37.25 1ubt h ILE 432 CO 0.02 0.01 -0.08 -0.08 0.00 0.00 0.00 178.15 178.02 1ubt h GLU 433 N 0.05 0.49 -0.44 2.37 4.81 -1.05 -0.83 114.58 119.98 1ubt h GLU 433 Ca 0.13 -0.13 -0.03 0.00 -0.13 0.00 0.00 59.36 59.21 1ubt h GLU 433 Cb 0.18 -0.06 -0.02 0.00 0.63 0.00 0.00 28.75 29.48 1ubt h GLU 433 CO -0.24 0.58 0.16 1.15 -0.73 0.00 0.00 179.01 179.93 1ubt h THR 434 N 0.46 1.21 -0.50 0.32 2.02 -0.79 0.15 112.91 115.78 1ubt h THR 434 Ca 0.09 -0.67 -0.05 0.00 0.77 0.00 0.00 66.41 66.55 1ubt h THR 434 Cb 0.43 0.82 -0.02 0.00 -1.74 0.00 0.00 68.15 67.64 1ubt h THR 434 CO 0.02 0.24 0.11 0.00 0.37 0.00 0.00 175.52 176.26 1ubt h ALA 435 N 1.01 0.67 -0.26 6.16 0.00 -0.67 0.71 119.26 126.87 1ubt h ALA 435 Ca 0.15 -0.22 -0.05 0.00 0.00 0.00 0.00 54.91 54.79 1ubt h ALA 435 Cb 0.22 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 17.81 1ubt h ALA 435 CO -0.01 0.38 -0.02 0.28 0.00 0.00 0.00 179.25 179.88 1ubt h VAL 436 N 0.70 1.27 -0.42 0.00 2.07 -0.98 -2.43 116.25 116.46 1ubt h VAL 436 Ca 0.16 -0.97 -0.09 0.00 0.82 0.00 0.00 66.70 66.62 1ubt h VAL 436 Cb 0.36 1.38 -0.02 0.00 -1.52 0.00 0.00 31.29 31.49 1ubt h VAL 436 CO 0.00 0.31 -0.09 0.40 0.02 0.00 0.00 177.57 178.21 1ubt h ILE 437 N 0.25 1.25 -0.84 4.57 2.04 -0.60 -1.12 117.51 123.05 1ubt h ILE 437 Ca 0.07 -1.12 0.04 0.00 1.00 0.00 0.00 64.86 64.86 1ubt h ILE 437 Cb 0.46 1.02 -0.05 0.00 -0.74 0.00 0.00 36.82 37.51 1ubt h ILE 437 CO 0.02 0.38 0.54 0.00 0.00 0.00 0.00 178.15 179.09 1ubt h ALA 438 N 1.22 1.13 -0.36 1.87 0.00 -0.72 0.55 119.26 122.95 1ubt h ALA 438 Ca 0.12 -0.03 -0.12 0.00 0.00 0.00 0.00 54.91 54.89 1ubt h ALA 438 Cb 0.55 -0.27 -0.01 0.00 0.00 0.00 0.00 17.79 18.06 1ubt h ALA 438 CO 0.03 0.34 -0.23 1.49 0.00 0.00 0.00 179.25 180.88 1ubt h GLU 439 N 1.02 0.79 0.00 0.00 4.81 -1.15 -3.22 114.58 116.84 1ubt h GLU 439 Ca 0.35 -0.37 -0.07 0.00 -0.13 0.00 0.00 59.36 59.14 1ubt h GLU 439 Cb 0.06 -0.01 -0.01 0.00 0.63 0.00 0.00 28.75 29.42 1ubt h GLU 439 CO -0.13 1.00 -0.31 -0.92 -0.73 0.00 0.00 179.01 177.91 1ubt h TYR 440 N 0.58 0.00 -0.89 0.92 3.20 -0.42 -1.79 116.97 118.57 1ubt h TYR 440 Ca 0.07 0.00 0.08 0.00 3.14 0.00 0.00 58.73 62.02 1ubt h TYR 440 Cb 0.79 0.00 -0.06 0.00 1.54 0.00 0.00 36.73 39.00 1ubt h TYR 440 CO 0.06 0.31 0.57 0.28 -1.64 0.00 0.00 178.16 177.75 1ubt h VAL 441 N 0.00 1.01 -0.65 1.81 2.07 -0.92 -0.02 116.25 119.55 1ubt h VAL 441 Ca -0.00 -0.32 -0.06 0.00 0.82 0.00 0.00 66.70 67.13 1ubt h VAL 441 Cb 0.57 -0.01 -0.03 0.00 -1.52 0.00 0.00 31.29 30.30 1ubt h VAL 441 CO 0.04 0.17 0.16 1.23 0.02 0.00 0.00 177.57 179.19 1ubt h GLY 442 N 0.94 1.10 0.78 2.17 0.00 -1.43 0.50 103.07 107.12 1ubt h GLY 442 Ca 0.40 -0.66 -0.01 0.00 0.00 0.00 0.00 47.33 47.05 1ubt h GLY 442 CO -0.16 0.62 0.01 -2.08 0.00 0.00 0.00 176.54 174.93 1ubt h VAL 443 N 0.97 1.23 -0.82 4.60 2.07 -1.10 -1.29 116.25 121.91 1ubt h VAL 443 Ca 0.21 -0.71 0.08 0.00 0.82 0.00 0.00 66.70 67.09 1ubt h VAL 443 Cb 0.34 1.50 -0.07 0.00 -1.52 0.00 0.00 31.29 31.54 1ubt h VAL 443 CO -0.00 0.20 0.49 0.24 0.02 0.00 0.00 177.57 178.52 1ubt h MET 444 N -0.07 0.83 -0.52 1.57 2.86 -0.89 -1.00 114.93 117.72 1ubt h MET 444 Ca 0.03 -0.05 -0.04 0.00 -2.06 0.00 0.00 59.70 57.58 1ubt h MET 444 Cb 0.31 -0.19 -0.02 0.00 0.06 0.00 0.00 31.60 31.76 1ubt h MET 444 CO 0.00 0.55 0.16 1.25 1.06 0.00 0.00 176.91 179.94 1ubt h LEU 445 N 0.86 0.75 -0.81 1.22 6.46 -0.72 -0.56 115.31 122.51 1ubt h LEU 445 Ca 0.38 -0.20 -0.04 0.00 -0.12 0.00 0.00 57.88 57.90 1ubt h LEU 445 Cb 0.26 -0.20 -0.04 0.00 -0.73 0.00 0.00 40.66 39.96 1ubt h LEU 445 CO -0.21 0.76 0.36 -0.61 -0.62 0.00 0.00 178.44 178.12 1ubt h GLN 446 N 0.71 1.19 -0.61 1.25 5.75 -0.80 -0.56 115.11 122.03 1ubt h GLN 446 Ca 0.17 -0.19 -0.06 0.00 -0.15 0.00 0.00 58.65 58.41 1ubt h GLN 446 Cb 0.27 -0.20 -0.03 0.00 1.07 0.00 0.00 27.48 28.59 1ubt h GLN 446 CO -0.01 0.94 0.13 0.93 -2.65 0.00 0.00 178.83 178.18 1ubt h GLU 447 N 1.17 0.96 0.08 1.69 5.08 -0.69 0.13 114.58 123.00 1ubt h GLU 447 Ca 0.28 -0.22 -0.00 0.00 -1.00 0.00 0.00 59.36 58.41 1ubt h GLU 447 Cb 0.16 -0.13 0.00 0.00 0.50 0.00 0.00 28.75 29.28 1ubt h GLU 447 CO -0.03 0.87 -0.04 -0.92 -1.00 0.00 0.00 179.01 177.89 1ubt h TYR 448 N 0.92 -0.10 -0.70 4.33 -0.00 -0.77 0.68 116.97 121.33 1ubt h TYR 448 Ca 0.19 -0.00 0.09 0.00 -0.00 0.00 0.00 58.73 59.01 1ubt h TYR 448 Cb 0.35 0.03 -0.07 0.00 -0.00 0.00 0.00 36.73 37.04 1ubt h TYR 448 CO 0.02 0.04 0.35 0.87 -0.00 0.00 0.00 178.16 179.44 1ubt h LYS 449 N -0.22 0.57 -0.68 1.82 1.57 -0.82 -1.10 116.57 117.71 1ubt h LYS 449 Ca -0.01 -0.03 0.03 0.00 -1.87 0.00 0.00 60.65 58.76 1ubt h LYS 449 Cb 0.18 -0.13 -0.04 0.00 0.08 0.00 0.00 32.23 32.32 1ubt h LYS 449 CO 0.02 0.38 0.43 -0.44 -0.57 0.00 0.00 179.45 179.27 1ubt h ASP 450 N 0.59 0.71 -0.49 0.86 3.45 -0.29 -1.33 116.42 119.91 1ubt h ASP 450 Ca 0.35 -0.00 -0.12 0.00 0.43 0.00 0.00 57.03 57.68 1ubt h ASP 450 Cb 0.37 -0.16 -0.01 0.00 -0.56 0.00 0.00 39.33 38.97 1ubt h ASP 450 CO -0.27 0.50 -0.16 -1.13 -1.57 0.00 0.00 179.24 176.61 1ubt h ASN 451 N 0.85 0.99 -0.99 6.45 -0.00 0.07 -1.87 115.58 121.08 1ubt h ASN 451 Ca 0.27 -0.38 0.04 0.00 -0.00 0.00 0.00 56.30 56.24 1ubt h ASN 451 Cb 0.00 -0.27 -0.06 0.00 -0.00 0.00 0.00 38.32 37.99 1ubt h ASN 451 CO -0.10 1.14 0.65 0.40 -0.00 0.00 0.00 177.43 179.52 1ubt h ILE 452 N 0.83 1.15 0.00 2.57 2.04 -0.95 -1.90 117.51 121.25 1ubt h ILE 452 Ca 0.12 -0.42 -0.02 0.00 1.00 0.00 0.00 64.86 65.53 1ubt h ILE 452 Cb 0.73 -0.18 -0.00 0.00 -0.74 0.00 0.00 36.82 36.62 1ubt h ILE 452 CO 0.06 0.22 -0.12 0.00 0.00 0.00 0.00 178.15 178.31 1ubt h ALA 453 N 1.43 1.16 0.00 1.87 0.00 -0.60 1.00 119.26 124.12 1ubt h ALA 453 Ca 0.40 -0.11 0.00 0.00 0.00 0.00 0.00 54.91 55.20 1ubt h ALA 453 Cb 0.05 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 17.82 1ubt h ALA 453 CO -0.13 0.15 0.00 1.63 0.00 0.00 0.00 179.25 180.89 1ubt n LYS 454 N -3.47 0.57 -0.27 0.00 5.02 -0.73 -4.87 118.16 114.42 1ubt n LYS 454 Ca -0.01 0.02 0.00 0.00 -2.02 0.00 0.00 58.31 56.30 1ubt n LYS 454 Cb 0.28 -1.50 0.00 0.00 -0.02 0.00 0.00 35.03 33.79 1ubt n LYS 454 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1ubt n GLY 455 N 0.89 0.86 3.52 0.72 0.00 0.34 -5.05 105.19 106.47 1ubt n GLY 455 Ca 0.16 -0.07 -0.43 0.00 0.00 0.00 0.00 46.02 45.68 1ubt n GLY 455 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1ubt s ASP 456 N -2.07 6.32 -0.15 1.61 2.15 -1.14 -4.86 116.67 118.53 1ubt s ASP 456 Ca 0.00 -0.38 0.17 0.00 0.43 0.00 0.00 52.55 52.76 1ubt s ASP 456 Cb 0.00 -2.45 0.45 0.00 -0.30 0.00 0.00 42.92 40.62 1ubt s ASP 456 CO 0.00 -1.31 1.34 -0.46 -0.17 0.00 0.00 175.17 174.58 1ubt n ASN 457 N 7.68 3.44 -4.77 -0.34 2.04 -1.26 -4.25 115.26 117.80 1ubt n ASN 457 Ca 0.02 -2.96 -0.39 0.00 -0.44 0.00 0.00 54.58 50.81 1ubt n ASN 457 Cb 0.47 -0.49 -0.06 0.00 -2.53 0.00 0.00 39.78 37.18 1ubt n ASN 457 CO 0.00 0.00 0.00 -0.69 -0.44 0.00 0.00 177.26 176.13 1ubt s VAL 458 N -2.71 4.84 0.00 3.53 1.01 -1.26 -4.96 120.40 120.86 1ubt s VAL 458 Ca 0.38 1.28 0.00 0.00 0.00 0.00 0.00 61.98 63.64 1ubt s VAL 458 Cb 0.31 -3.95 0.00 0.00 0.00 0.00 0.00 36.38 32.74 1ubt s VAL 458 CO 0.08 0.44 0.01 2.30 0.00 0.00 0.00 175.10 177.93 1ubt n ILE 459 N 2.49 0.00 -3.89 2.22 -5.35 -1.26 -4.16 119.36 109.40 1ubt n ILE 459 Ca -0.07 -0.24 -0.11 0.00 -0.27 0.00 0.00 62.75 62.06 1ubt n ILE 459 Cb 0.51 1.03 -0.13 0.00 -1.74 0.00 0.00 39.64 39.31 1ubt n ILE 459 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 1ubt s ALA 461 N -0.44 2.73 0.59 0.00 0.00 -0.15 -4.90 121.76 119.58 1ubt s ALA 461 Ca -0.05 -1.32 -0.15 0.00 0.00 0.00 0.00 51.96 50.44 1ubt s ALA 461 Cb -0.03 -0.70 -0.04 0.00 0.00 0.00 0.00 23.12 22.35 1ubt s ALA 461 CO -0.00 0.60 1.04 -1.25 0.00 0.00 0.00 175.76 176.15 1ubt s PRO 462 N -2.10 3.40 0.22 0.00 0.04 -1.26 -4.53 135.00 130.76 1ubt s PRO 462 Ca 0.18 1.13 -0.18 0.00 0.04 0.00 0.00 61.00 62.17 1ubt s PRO 462 Cb -0.11 -2.05 0.02 0.00 0.04 0.00 0.00 34.50 32.41 1ubt s PRO 462 CO 0.10 -0.73 0.56 1.67 0.04 0.00 0.00 177.00 178.64 1ubt s TRP 463 N -2.55 -0.08 -0.00 0.56 1.48 -1.26 -4.93 118.94 112.15 1ubt s TRP 463 Ca 0.62 -0.28 0.04 0.00 -1.06 0.00 0.00 56.10 55.42 1ubt s TRP 463 Cb -0.15 0.43 -0.01 0.00 -1.16 0.00 0.00 33.47 32.58 1ubt s TRP 463 CO 0.38 -0.99 -0.13 -1.21 -4.06 0.00 0.00 176.95 170.94 1ubt s GLU 464 N -3.90 1.04 -0.17 3.25 2.02 -1.26 -5.12 118.70 114.56 1ubt s GLU 464 Ca 0.11 -0.51 -0.29 0.00 0.02 0.00 0.00 54.97 54.30 1ubt s GLU 464 Cb -0.02 -1.02 -0.00 0.00 0.10 0.00 0.00 34.13 33.19 1ubt s GLU 464 CO 0.00 0.27 1.10 1.41 0.02 0.00 0.00 175.26 178.06 1ubt s MET 465 N -0.43 4.30 0.55 1.61 -2.45 -1.26 -4.85 119.30 116.77 1ubt s MET 465 Ca 0.05 1.46 -0.17 0.00 -1.25 0.00 0.00 55.69 55.78 1ubt s MET 465 Cb -0.05 -3.64 -0.06 0.00 1.25 0.00 0.00 34.83 32.33 1ubt s MET 465 CO -0.00 -0.56 1.03 -1.25 1.05 0.00 0.00 175.02 175.29 1ubt s PRO 466 N 2.91 3.58 0.19 4.11 0.04 -1.26 -4.96 135.00 139.61 1ubt s PRO 466 Ca 0.48 1.15 0.00 0.00 0.04 0.00 0.00 61.00 62.67 1ubt s PRO 466 Cb -0.18 -2.07 0.08 0.00 0.04 0.00 0.00 34.50 32.37 1ubt s PRO 466 CO 0.12 -0.59 1.45 0.87 0.04 0.00 0.00 177.00 178.89 1ubt h LYS 467 N 0.75 0.34 -4.42 4.56 1.79 -1.93 -3.36 116.57 114.30 1ubt h LYS 467 Ca -0.47 -0.29 -0.45 0.00 -2.18 0.00 0.00 60.65 57.26 1ubt h LYS 467 Cb 1.21 0.06 -0.33 0.00 -1.58 0.00 0.00 32.23 31.59 1ubt h LYS 467 CO 0.59 0.93 -0.79 -1.14 -1.08 0.00 0.00 179.45 177.96 1ubt s GLN 468 N -3.58 1.17 -0.05 3.15 0.74 -1.26 -0.07 119.66 119.76 1ubt s GLN 468 Ca -0.05 -0.29 -0.30 0.00 0.05 0.00 0.00 55.36 54.77 1ubt s GLN 468 Cb 0.11 -1.05 0.11 0.00 1.10 0.00 0.00 33.01 33.28 1ubt s GLN 468 CO 0.83 0.03 0.99 0.00 -0.55 0.00 0.00 175.29 176.59 1ubt s ALA 469 N 0.54 -1.89 0.07 1.58 0.00 -0.84 -4.98 121.76 116.24 1ubt s ALA 469 Ca -0.09 1.12 0.07 0.00 0.00 0.00 0.00 51.96 53.05 1ubt s ALA 469 Cb -0.13 0.28 -0.03 0.00 0.00 0.00 0.00 23.12 23.25 1ubt s ALA 469 CO 0.01 -0.69 -0.19 -1.83 0.00 0.00 0.00 175.76 173.06 1ubt s GLU 470 N -2.92 1.15 0.07 0.00 -1.05 -1.26 0.07 118.70 114.76 1ubt s GLU 470 Ca 0.07 -0.99 -0.07 0.00 -0.15 0.00 0.00 54.97 53.82 1ubt s GLU 470 Cb -0.01 -1.30 -0.01 0.00 -0.44 0.00 0.00 34.13 32.38 1ubt s GLU 470 CO -0.07 0.31 0.15 0.20 0.95 0.00 0.00 175.26 176.80 1ubt s GLY 471 N -1.50 0.15 -0.03 -3.83 0.00 -0.45 -4.41 107.32 97.25 1ubt s GLY 471 Ca 0.05 -0.65 -0.06 0.00 0.00 0.00 0.00 44.72 44.06 1ubt s GLY 471 CO 0.03 -0.82 0.14 0.54 0.00 0.00 0.00 173.10 173.00 1ubt s VAL 472 N -3.52 0.05 -0.04 1.40 0.11 -1.25 -0.61 120.40 116.52 1ubt s VAL 472 Ca 0.03 -0.37 0.05 0.00 -2.93 0.00 0.00 61.98 58.75 1ubt s VAL 472 Cb 0.04 -0.34 -0.01 0.00 -1.53 0.00 0.00 36.38 34.55 1ubt s VAL 472 CO -0.09 -0.21 -0.18 -0.83 -3.33 0.00 0.00 175.10 170.47 1ubt s GLY 473 N -0.70 0.93 -0.10 6.54 0.00 -0.27 -4.23 107.32 109.49 1ubt s GLY 473 Ca -0.08 -0.72 0.03 0.00 0.00 0.00 0.00 44.72 43.96 1ubt s GLY 473 CO 0.01 -0.41 -0.22 -1.36 0.00 0.00 0.00 173.10 171.12 1ubt s PHE 474 N -0.04 2.60 -0.04 1.90 0.40 -1.26 -1.54 117.98 120.00 1ubt s PHE 474 Ca -0.02 -0.97 0.03 0.00 -0.60 0.00 0.00 56.93 55.36 1ubt s PHE 474 Cb -0.11 -1.73 0.01 0.00 0.51 0.00 0.00 43.02 41.70 1ubt s PHE 474 CO 0.02 -0.38 -0.11 0.08 0.70 0.00 0.00 175.22 175.53 1ubt s VAL 475 N 0.32 0.96 -0.51 -0.44 1.01 -0.27 -4.96 120.40 116.52 1ubt s VAL 475 Ca -0.17 -0.42 -0.19 0.00 0.00 0.00 0.00 61.98 61.20 1ubt s VAL 475 Cb -0.18 -0.87 0.06 0.00 0.00 0.00 0.00 36.38 35.40 1ubt s VAL 475 CO 0.08 0.30 0.61 0.21 0.00 0.00 0.00 175.10 176.31 1ubt s ASN 476 N 0.40 6.22 0.70 3.32 3.84 -1.22 -0.08 114.94 128.12 1ubt s ASN 476 Ca -0.08 -0.97 -0.05 0.00 0.21 0.00 0.00 52.86 51.96 1ubt s ASN 476 Cb -0.12 -2.28 0.08 0.00 -0.55 0.00 0.00 41.25 38.37 1ubt s ASN 476 CO 0.02 -0.88 1.00 0.00 -2.79 0.00 0.00 177.10 174.44 1ubt s ALA 477 N 2.55 3.28 0.57 1.71 0.00 0.64 -4.87 121.76 125.64 1ubt s ALA 477 Ca 0.14 -1.12 0.29 0.00 0.00 0.00 0.00 51.96 51.27 1ubt s ALA 477 Cb -0.20 -2.45 1.47 0.00 0.00 0.00 0.00 23.12 21.94 1ubt s ALA 477 CO 0.11 -1.32 1.90 -1.35 0.00 0.00 0.00 175.76 175.11 1ubt h PRO 478 N -0.56 0.00 -0.02 0.00 0.11 -1.96 -0.36 132.00 129.21 1ubt h PRO 478 Ca -0.43 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.68 1ubt h PRO 478 Cb 1.30 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.41 1ubt h PRO 478 CO 0.55 0.00 -0.14 0.54 -0.21 0.00 0.00 178.00 178.73 1ubt n ARG 479 N -3.87 1.86 0.00 1.05 1.74 -1.26 -4.22 116.66 111.96 1ubt n ARG 479 Ca 0.10 -1.56 0.00 0.00 -0.77 0.00 0.00 57.85 55.63 1ubt n ARG 479 Cb 0.72 -1.43 0.00 0.00 -1.02 0.00 0.00 32.46 30.73 1ubt n ARG 479 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1ubt n GLY 480 N 1.30 0.48 3.62 -0.13 0.00 -0.15 -2.51 105.19 107.81 1ubt n GLY 480 Ca 0.12 -1.96 -0.43 0.00 0.00 0.00 0.00 46.02 43.75 1ubt n GLY 480 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1ubt s GLY 481 N 0.00 1.31 -0.16 -0.02 0.00 -1.26 -0.26 107.32 106.93 1ubt s GLY 481 Ca 0.00 0.05 -0.06 0.00 0.00 0.00 0.00 44.72 44.71 1ubt s GLY 481 CO 0.00 2.64 0.04 -2.27 0.00 0.00 0.00 173.10 173.51 1ubt s LEU 482 N 4.65 3.72 -0.00 0.66 2.96 0.89 -3.34 118.68 128.23 1ubt s LEU 482 Ca 0.58 0.09 0.00 0.00 -0.22 0.00 0.00 54.13 54.58 1ubt s LEU 482 Cb -0.16 -1.92 0.00 0.00 0.50 0.00 0.00 46.19 44.61 1ubt s LEU 482 CO 0.26 0.23 -0.01 -0.94 -1.32 0.00 0.00 176.35 174.57 1ubt s SER 483 N 0.04 0.10 -0.07 3.68 1.04 -0.46 -1.11 113.70 116.91 1ubt s SER 483 Ca 0.04 -0.01 0.03 0.00 0.48 0.00 0.00 55.95 56.50 1ubt s SER 483 Cb -0.12 -0.01 -0.02 0.00 0.10 0.00 0.00 66.02 65.97 1ubt s SER 483 CO 0.01 0.01 -0.18 -1.00 0.98 0.00 0.00 173.24 173.06 1ubt s HIS 484 N 0.01 2.63 -0.08 5.02 3.76 -0.59 -1.17 115.29 124.87 1ubt s HIS 484 Ca 0.00 -0.50 0.01 0.00 -0.15 0.00 0.00 55.06 54.42 1ubt s HIS 484 Cb -0.01 -1.68 0.02 0.00 1.11 0.00 0.00 32.58 32.03 1ubt s HIS 484 CO -0.00 -0.07 -0.08 -1.58 -0.85 0.00 0.00 174.74 172.15 1ubt s TRP 485 N -0.22 1.29 0.03 1.40 0.52 0.01 -1.11 118.94 120.85 1ubt s TRP 485 Ca -0.00 -0.53 0.08 0.00 0.02 0.00 0.00 56.10 55.66 1ubt s TRP 485 Cb -0.13 -1.04 -0.02 0.00 -1.15 0.00 0.00 33.47 31.12 1ubt s TRP 485 CO 0.03 -0.36 -0.23 -1.50 0.02 0.00 0.00 176.95 174.91 1ubt s ILE 486 N 1.20 1.86 -0.24 2.03 2.07 0.22 -0.62 121.20 127.71 1ubt s ILE 486 Ca -0.05 -1.20 -0.02 0.00 -1.41 0.00 0.00 60.65 57.97 1ubt s ILE 486 Cb -0.14 -1.59 0.02 0.00 0.13 0.00 0.00 42.46 40.88 1ubt s ILE 486 CO -0.02 0.34 -0.06 -0.60 -1.91 0.00 0.00 174.94 172.69 1ubt s ARG 487 N -1.03 2.90 -0.11 3.50 3.52 -0.27 -1.34 118.95 126.12 1ubt s ARG 487 Ca 0.09 -0.93 -0.16 0.00 -0.13 0.00 0.00 55.73 54.60 1ubt s ARG 487 Cb -0.09 -2.98 -0.05 0.00 -1.56 0.00 0.00 34.95 30.27 1ubt s ARG 487 CO 0.01 -0.37 0.40 0.42 -0.81 0.00 0.00 175.30 174.95 1ubt s ILE 488 N 1.34 5.21 -0.05 4.11 1.01 0.11 -0.27 121.20 132.66 1ubt s ILE 488 Ca 0.01 0.79 -0.00 0.00 0.00 0.00 0.00 60.65 61.45 1ubt s ILE 488 Cb -0.16 -3.73 0.03 0.00 0.01 0.00 0.00 42.46 38.60 1ubt s ILE 488 CO -0.04 0.39 -0.01 -0.70 0.00 0.00 0.00 174.94 174.57 1ubt s GLU 489 N 0.29 0.59 -1.45 2.79 2.56 -0.21 -1.98 118.70 121.28 1ubt s GLU 489 Ca 0.22 0.03 -0.04 0.00 0.00 0.00 0.00 54.97 55.19 1ubt s GLU 489 Cb -0.15 -0.78 0.02 0.00 2.00 0.00 0.00 34.13 35.22 1ubt s GLU 489 CO 0.08 -0.18 0.33 -3.47 -0.56 0.00 0.00 175.26 171.46 1ubt n ASP 490 N 4.49 -5.13 0.00 -1.70 4.64 0.06 -1.11 116.55 117.80 1ubt n ASP 490 Ca -0.18 -0.15 0.00 0.00 -1.38 0.00 0.00 54.79 53.08 1ubt n ASP 490 Cb 0.50 -4.22 0.00 0.00 -1.04 0.00 0.00 41.12 36.36 1ubt n ASP 490 CO 0.00 0.00 0.00 0.61 -0.82 0.00 0.00 177.20 176.99 1ubt n GLY 491 N -1.19 0.44 3.67 0.27 0.00 0.90 -4.97 105.19 104.30 1ubt n GLY 491 Ca -0.13 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.63 1ubt n GLY 491 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1ubt s LYS 492 N -0.60 2.08 -0.41 1.61 -0.14 -0.26 -4.45 119.74 117.56 1ubt s LYS 492 Ca 0.00 -1.99 -0.29 0.00 -1.36 0.00 0.00 55.97 52.34 1ubt s LYS 492 Cb 0.00 -1.80 0.00 0.00 -1.68 0.00 0.00 37.83 34.35 1ubt s LYS 492 CO 0.00 -0.08 1.51 0.42 -0.76 0.00 0.00 175.35 176.44 1ubt s ILE 493 N -2.66 3.78 -0.03 2.17 1.01 0.02 -1.04 121.20 124.45 1ubt s ILE 493 Ca 0.38 0.78 -0.14 0.00 0.00 0.00 0.00 60.65 61.67 1ubt s ILE 493 Cb 0.07 -4.09 -0.32 0.00 0.01 0.00 0.00 42.46 38.13 1ubt s ILE 493 CO 0.20 -0.72 0.77 1.23 0.00 0.00 0.00 174.94 176.42 1ubt h GLY 494 N 12.73 0.48 -5.24 6.18 0.00 -0.90 0.21 103.07 116.53 1ubt h GLY 494 Ca -0.29 -1.23 -0.16 0.00 0.00 0.00 0.00 47.33 45.65 1ubt h GLY 494 CO 1.09 1.07 -0.43 0.21 0.00 0.00 0.00 176.54 178.48 1ubt s ASN 495 N -7.34 -0.21 -0.04 0.19 3.84 -0.97 -4.82 114.94 105.59 1ubt s ASN 495 Ca -0.14 0.37 -0.02 0.00 0.21 0.00 0.00 52.86 53.29 1ubt s ASN 495 Cb 0.04 0.44 0.03 0.00 -0.55 0.00 0.00 41.25 41.22 1ubt s ASN 495 CO 0.87 -0.14 0.05 0.12 -2.79 0.00 0.00 177.10 175.21 1ubt s PHE 496 N -0.14 0.11 -0.06 0.43 2.19 -1.26 -1.11 117.98 118.14 1ubt s PHE 496 Ca -0.03 0.20 0.04 0.00 0.33 0.00 0.00 56.93 57.47 1ubt s PHE 496 Cb -0.03 -0.48 0.00 0.00 -1.31 0.00 0.00 43.02 41.21 1ubt s PHE 496 CO 0.01 -0.19 -0.17 -0.65 1.83 0.00 0.00 175.22 176.05 1ubt s GLN 497 N 1.99 2.02 -0.17 10.12 -1.52 0.21 -4.70 119.66 127.61 1ubt s GLN 497 Ca 0.03 -0.61 -0.08 0.00 -1.95 0.00 0.00 55.36 52.76 1ubt s GLN 497 Cb -0.12 -1.66 -0.04 0.00 -0.22 0.00 0.00 33.01 30.96 1ubt s GLN 497 CO -0.03 0.17 0.09 -0.51 -0.25 0.00 0.00 175.29 174.76 1ubt s LEU 498 N 0.29 4.02 -0.23 2.90 1.43 -1.26 -0.81 118.68 125.02 1ubt s LEU 498 Ca -0.10 0.20 0.01 0.00 -1.03 0.00 0.00 54.13 53.21 1ubt s LEU 498 Cb -0.14 -2.01 0.05 0.00 0.03 0.00 0.00 46.19 44.12 1ubt s LEU 498 CO 0.04 0.24 -0.08 -0.69 0.23 0.00 0.00 176.35 176.09 1ubt s VAL 499 N -0.02 1.68 0.15 -1.59 1.01 -0.32 -5.03 120.40 116.28 1ubt s VAL 499 Ca 0.08 -1.21 0.08 0.00 0.00 0.00 0.00 61.98 60.93 1ubt s VAL 499 Cb -0.12 -1.85 -0.04 0.00 0.00 0.00 0.00 36.38 34.38 1ubt s VAL 499 CO 0.00 0.01 -0.08 -0.69 0.00 0.00 0.00 175.10 174.35 1ubt s VAL 500 N 1.35 3.36 0.21 2.92 1.01 -1.26 -1.36 120.40 126.63 1ubt s VAL 500 Ca -0.05 -1.46 -0.09 0.00 0.00 0.00 0.00 61.98 60.38 1ubt s VAL 500 Cb -0.18 -2.63 0.16 0.00 0.00 0.00 0.00 36.38 33.73 1ubt s VAL 500 CO -0.07 -0.02 1.72 -0.65 0.00 0.00 0.00 175.10 176.08 1ubt h PRO 501 N 3.15 0.31 0.00 2.72 0.10 -1.83 0.75 132.00 137.21 1ubt h PRO 501 Ca -0.48 -0.02 -0.02 0.00 0.10 0.00 0.00 66.00 65.59 1ubt h PRO 501 Cb 1.19 -0.07 -0.00 0.00 0.10 0.00 0.00 31.00 32.22 1ubt h PRO 501 CO 0.54 0.21 -0.07 0.77 0.10 0.00 0.00 178.00 179.54 1ubt h SER 502 N 0.32 0.00 -0.38 -2.05 0.02 -1.84 -1.60 113.55 108.03 1ubt h SER 502 Ca 0.32 0.00 -0.02 0.00 -0.84 0.00 0.00 61.79 61.25 1ubt h SER 502 Cb 0.44 0.00 -0.02 0.00 0.14 0.00 0.00 62.40 62.97 1ubt h SER 502 CO -0.36 0.07 0.17 0.74 -1.14 0.00 0.00 176.83 176.31 1ubt h THR 503 N 0.00 1.18 -0.10 -2.27 2.02 -1.06 0.62 112.91 113.30 1ubt h THR 503 Ca -0.00 -0.51 0.03 0.00 0.77 0.00 0.00 66.41 66.70 1ubt h THR 503 Cb 0.33 0.82 -0.03 0.00 -1.74 0.00 0.00 68.15 67.52 1ubt h THR 503 CO 0.01 0.19 -0.07 -0.50 0.37 0.00 0.00 175.52 175.51 1ubt h TRP 504 N 0.47 -0.18 0.19 3.16 4.06 -1.10 -0.11 115.95 122.45 1ubt h TRP 504 Ca 0.13 0.01 -0.31 0.00 2.06 0.00 0.00 58.89 60.78 1ubt h TRP 504 Cb 0.14 0.10 0.02 0.00 -1.00 0.00 0.00 29.16 28.42 1ubt h TRP 504 CO -0.01 -0.12 -1.36 1.15 -3.56 0.00 0.00 178.44 174.54 1ubt h THR 505 N -0.08 1.38 -0.01 1.49 2.02 -1.30 -3.38 112.91 113.03 1ubt h THR 505 Ca 0.07 -2.85 0.00 0.00 0.77 0.00 0.00 66.41 64.39 1ubt h THR 505 Cb 0.18 2.98 0.00 0.00 -1.74 0.00 0.00 68.15 69.57 1ubt h THR 505 CO -0.15 0.84 0.00 0.18 0.37 0.00 0.00 175.52 176.76 1ubt n LEU 506 N -3.64 1.29 -4.54 2.58 7.99 0.20 -1.43 117.00 119.46 1ubt n LEU 506 Ca -0.13 -1.05 -0.28 0.00 -0.01 0.00 0.00 56.01 54.53 1ubt n LEU 506 Cb 1.06 -0.00 0.23 0.00 -0.11 0.00 0.00 43.42 44.60 1ubt n LEU 506 CO 0.58 0.30 0.55 -0.83 -1.51 0.00 0.00 177.39 176.47 1ubt s GLY 507 N -0.28 1.55 0.00 -0.72 0.00 -0.05 -4.81 107.32 103.01 1ubt s GLY 507 Ca 0.03 -0.17 0.00 0.00 0.00 0.00 0.00 44.72 44.58 1ubt s GLY 507 CO 0.04 0.52 0.00 -1.55 0.00 0.00 0.00 173.10 172.10 1ubt n PRO 508 N -4.74 0.30 -1.15 2.90 -0.04 -1.26 -4.52 135.00 126.49 1ubt n PRO 508 Ca 0.04 0.00 -0.32 0.00 -0.04 0.00 0.00 63.50 63.17 1ubt n PRO 508 Cb 0.55 0.00 0.12 0.00 -0.04 0.00 0.00 33.50 34.13 1ubt n PRO 508 CO 0.00 0.00 0.00 1.03 -0.04 0.00 0.00 175.50 176.49 1ubt s ARG 509 N -2.18 1.80 0.31 0.54 0.52 -1.26 -4.34 118.95 114.33 1ubt s ARG 509 Ca 0.00 1.54 0.05 0.00 -0.52 0.00 0.00 55.73 56.80 1ubt s ARG 509 Cb 0.00 -1.82 0.05 0.00 0.52 0.00 0.00 34.95 33.70 1ubt s ARG 509 CO 0.00 -2.05 0.40 0.00 0.02 0.00 0.00 175.30 173.67 1ubt n ASP 511 N -2.56 0.00 -1.17 0.00 3.85 -1.26 -0.76 116.55 114.65 1ubt n ASP 511 Ca 0.08 -0.95 0.11 0.00 -0.71 0.00 0.00 54.79 53.32 1ubt n ASP 511 Cb 0.32 0.00 0.25 0.00 -1.35 0.00 0.00 41.12 40.34 1ubt n ASP 511 CO 0.00 0.00 0.00 0.29 -1.01 0.00 0.00 177.20 176.48 1ubt n LYS 512 N -0.87 2.56 -1.79 0.11 5.02 -1.26 -4.96 118.16 116.97 1ubt n LYS 512 Ca 0.14 -2.38 -0.17 0.00 -2.02 0.00 0.00 58.31 53.87 1ubt n LYS 512 Cb 0.06 -1.51 -0.05 0.00 -0.02 0.00 0.00 35.03 33.51 1ubt n LYS 512 CO 0.00 0.00 0.00 0.09 -0.52 0.00 0.00 177.40 176.97 1ubt n ASN 513 N 1.46 -5.02 -4.71 4.39 5.03 0.06 -4.97 115.26 111.52 1ubt n ASN 513 Ca 0.20 0.26 -0.42 0.00 0.87 0.00 0.00 54.58 55.49 1ubt n ASN 513 Cb 0.59 -4.04 -0.03 0.00 -1.02 0.00 0.00 39.78 35.28 1ubt n ASN 513 CO 0.00 0.00 0.00 -0.54 -1.83 0.00 0.00 177.26 174.89 1ubt s LYS 514 N -3.94 4.44 0.39 3.52 1.02 -1.26 -4.81 119.74 119.10 1ubt s LYS 514 Ca 0.00 1.67 -0.27 0.00 0.02 0.00 0.00 55.97 57.39 1ubt s LYS 514 Cb 0.00 -3.41 -0.10 0.00 -0.52 0.00 0.00 37.83 33.80 1ubt s LYS 514 CO 0.00 -0.25 1.39 -0.51 -0.92 0.00 0.00 175.35 175.07 1ubt s LEU 515 N 1.26 4.27 0.93 3.17 1.02 -1.26 -3.41 118.68 124.67 1ubt s LEU 515 Ca 0.57 2.86 -0.12 0.00 0.02 0.00 0.00 54.13 57.46 1ubt s LEU 515 Cb -0.27 -3.78 0.15 0.00 0.02 0.00 0.00 46.19 42.32 1ubt s LEU 515 CO 0.28 -0.87 1.10 -0.94 0.02 0.00 0.00 176.35 175.93 1ubt s SER 516 N -0.43 3.18 0.18 2.29 1.04 -1.26 -4.66 113.70 114.04 1ubt s SER 516 Ca 0.55 1.31 -0.14 0.00 0.48 0.00 0.00 55.95 58.14 1ubt s SER 516 Cb -0.43 -1.98 0.17 0.00 0.10 0.00 0.00 66.02 63.88 1ubt s SER 516 CO 0.56 -2.80 1.69 -0.65 0.98 0.00 0.00 173.24 173.03 1ubt h PRO 517 N -1.66 0.12 -0.64 4.02 0.11 -1.78 0.86 132.00 133.03 1ubt h PRO 517 Ca -0.51 -0.01 -0.09 0.00 0.11 0.00 0.00 66.00 65.50 1ubt h PRO 517 Cb 1.31 -0.03 -0.02 0.00 0.11 0.00 0.00 31.00 32.36 1ubt h PRO 517 CO 0.57 0.08 0.05 -0.24 -0.21 0.00 0.00 178.00 178.25 1ubt h VAL 518 N 0.12 1.27 0.01 3.15 3.04 -1.59 -0.02 116.25 122.24 1ubt h VAL 518 Ca 0.24 -1.10 -0.00 0.00 -1.01 0.00 0.00 66.70 64.82 1ubt h VAL 518 Cb 0.35 0.71 0.00 0.00 -2.01 0.00 0.00 31.29 30.33 1ubt h VAL 518 CO -0.39 0.41 -0.01 -0.33 -1.01 0.00 0.00 177.57 176.25 1ubt h GLU 519 N 1.02 -0.02 -0.63 4.17 5.08 -1.66 -2.64 114.58 119.91 1ubt h GLU 519 Ca 0.19 0.00 -0.02 0.00 -1.00 0.00 0.00 59.36 58.53 1ubt h GLU 519 Cb 0.50 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 29.73 1ubt h GLU 519 CO 0.02 0.11 0.32 0.00 -1.00 0.00 0.00 179.01 178.46 1ubt h ALA 520 N 0.85 1.37 0.00 3.43 0.00 -0.74 -2.59 119.26 121.59 1ubt h ALA 520 Ca -0.00 -0.12 -0.02 0.00 0.00 0.00 0.00 54.91 54.77 1ubt h ALA 520 Cb 0.13 -0.26 -0.00 0.00 0.00 0.00 0.00 17.79 17.66 1ubt h ALA 520 CO 0.00 0.50 -0.11 0.66 0.00 0.00 0.00 179.25 180.30 1ubt h SER 521 N 0.88 0.00 1.88 0.00 4.64 -0.74 -2.60 113.55 117.61 1ubt h SER 521 Ca 0.22 0.00 -0.02 0.00 -0.47 0.00 0.00 61.79 61.52 1ubt h SER 521 Cb 0.07 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 62.15 1ubt h SER 521 CO -0.03 0.11 -0.10 -0.07 -0.87 0.00 0.00 176.83 175.87 1ubt h LEU 522 N 0.00 0.00 -9.69 5.97 4.07 -1.11 -3.12 115.31 111.44 1ubt h LEU 522 Ca -0.00 0.00 -0.53 0.00 0.08 0.00 0.00 57.88 57.43 1ubt h LEU 522 Cb 0.50 0.00 0.05 0.00 1.08 0.00 0.00 40.66 42.29 1ubt h LEU 522 CO 0.01 0.10 0.82 -0.63 -1.08 0.00 0.00 178.44 177.66 1ubt s ILE 523 N -3.17 2.61 0.00 1.22 -1.09 -0.98 -1.97 121.20 117.82 1ubt s ILE 523 Ca 0.06 0.48 0.00 0.00 -2.23 0.00 0.00 60.65 58.96 1ubt s ILE 523 Cb 0.06 -3.31 0.00 0.00 -1.58 0.00 0.00 42.46 37.63 1ubt s ILE 523 CO 0.68 0.06 0.00 0.61 -1.23 0.00 0.00 174.94 175.06 1ubt n GLY 524 N 2.86 0.86 3.70 6.18 0.00 0.87 -4.77 105.19 114.88 1ubt n GLY 524 Ca 0.10 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.70 1ubt n GLY 524 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1ubt s THR 525 N -2.57 2.85 0.43 2.61 2.01 -0.83 -4.61 115.64 115.53 1ubt s THR 525 Ca 0.00 0.42 -0.23 0.00 0.31 0.00 0.00 61.69 62.19 1ubt s THR 525 Cb 0.00 -3.27 -0.08 0.00 0.01 0.00 0.00 72.50 69.16 1ubt s THR 525 CO 0.00 0.01 1.08 -2.16 -0.69 0.00 0.00 174.62 172.85 1ubt s PRO 526 N 2.20 3.98 -0.26 4.92 0.04 -1.26 -0.48 135.00 144.14 1ubt s PRO 526 Ca 0.74 1.55 -0.01 0.00 0.04 0.00 0.00 61.00 63.31 1ubt s PRO 526 Cb -0.42 -2.41 0.08 0.00 0.04 0.00 0.00 34.50 31.79 1ubt s PRO 526 CO 0.32 -0.31 0.05 0.54 0.04 0.00 0.00 177.00 177.64 1ubt s VAL 527 N -1.70 0.88 0.17 -0.36 0.11 -0.05 -4.67 120.40 114.78 1ubt s VAL 527 Ca 0.61 -1.08 -0.03 0.00 -2.93 0.00 0.00 61.98 58.56 1ubt s VAL 527 Cb -0.22 -1.47 -0.10 0.00 -1.53 0.00 0.00 36.38 33.05 1ubt s VAL 527 CO 0.28 -0.41 1.43 0.00 -3.33 0.00 0.00 175.10 173.07 1ubt h ALA 528 N 8.12 0.58 -2.88 1.54 0.00 -1.91 -3.42 119.26 121.28 1ubt h ALA 528 Ca -0.15 -0.59 -0.50 0.00 0.00 0.00 0.00 54.91 53.67 1ubt h ALA 528 Cb 1.06 -0.06 -0.40 0.00 0.00 0.00 0.00 17.79 18.39 1ubt h ALA 528 CO 0.41 0.74 -0.77 0.34 0.00 0.00 0.00 179.25 179.98 1ubt s ASP 529 N -6.98 3.06 0.59 0.00 3.68 -1.26 -4.97 116.67 110.78 1ubt s ASP 529 Ca -0.06 -1.02 0.30 0.00 2.13 0.00 0.00 52.55 53.89 1ubt s ASP 529 Cb 0.10 -0.30 1.74 0.00 -1.45 0.00 0.00 42.92 43.01 1ubt s ASP 529 CO 0.85 -0.40 2.15 0.00 0.13 0.00 0.00 175.17 177.90 1ubt h ALA 530 N 8.41 1.68 0.00 3.66 0.00 -2.01 -0.30 119.26 130.70 1ubt h ALA 530 Ca -0.18 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.73 1ubt h ALA 530 Cb 1.06 0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.86 1ubt h ALA 530 CO 0.38 -0.20 -0.05 1.63 0.00 0.00 0.00 179.25 181.02 1ubt n LYS 531 N -3.77 0.26 -3.21 0.00 5.02 -1.26 -4.18 118.16 111.01 1ubt n LYS 531 Ca -0.00 0.20 -0.24 0.00 -2.02 0.00 0.00 58.31 56.25 1ubt n LYS 531 Cb 0.24 -1.79 -0.06 0.00 -0.02 0.00 0.00 35.03 33.40 1ubt n LYS 531 CO 0.00 0.00 0.00 0.54 -0.52 0.00 0.00 177.40 177.42 1ubt n ARG 532 N -2.23 1.09 -1.72 1.97 1.74 -0.13 -5.05 116.66 112.34 1ubt n ARG 532 Ca 0.05 -3.50 -0.41 0.00 -0.77 0.00 0.00 57.85 53.22 1ubt n ARG 532 Cb 0.43 -1.47 -0.01 0.00 -1.02 0.00 0.00 32.46 30.39 1ubt n ARG 532 CO 0.00 0.00 0.00 -0.35 -1.52 0.00 0.00 177.63 175.76 1ubt n PRO 533 N 1.09 3.51 0.24 5.56 -0.04 -1.19 -4.63 135.00 139.54 1ubt n PRO 533 Ca 0.23 -2.73 0.08 0.00 -0.04 0.00 0.00 63.50 61.05 1ubt n PRO 533 Cb 0.53 -2.97 0.58 0.00 -0.04 0.00 0.00 33.50 31.60 1ubt n PRO 533 CO 0.00 0.00 0.00 -0.24 -0.04 0.00 0.00 175.50 175.22 1ubt h VAL 534 N 3.42 0.92 -0.43 0.52 3.04 -1.96 -2.21 116.25 119.55 1ubt h VAL 534 Ca 0.67 -0.64 -0.05 0.00 -1.01 0.00 0.00 66.70 65.66 1ubt h VAL 534 Cb 0.47 1.37 -0.02 0.00 -2.01 0.00 0.00 31.29 31.09 1ubt h VAL 534 CO 1.76 0.17 0.04 -0.33 -1.01 0.00 0.00 177.57 178.20 1ubt h GLU 535 N 0.00 0.68 -0.50 4.17 3.07 -1.83 0.65 114.58 120.81 1ubt h GLU 535 Ca -0.00 -0.15 -0.03 0.00 -0.50 0.00 0.00 59.36 58.68 1ubt h GLU 535 Cb 0.35 -0.10 -0.02 0.00 -0.84 0.00 0.00 28.75 28.15 1ubt h GLU 535 CO 0.02 0.67 0.21 0.82 -1.40 0.00 0.00 179.01 179.33 1ubt h ILE 536 N 0.65 1.21 -0.70 3.13 2.04 -1.68 -2.71 117.51 119.44 1ubt h ILE 536 Ca 0.14 -0.63 -0.05 0.00 1.00 0.00 0.00 64.86 65.31 1ubt h ILE 536 Cb 0.34 0.69 -0.03 0.00 -0.74 0.00 0.00 36.82 37.08 1ubt h ILE 536 CO 0.01 0.24 0.24 -0.07 0.00 0.00 0.00 178.15 178.57 1ubt h LEU 537 N 0.67 1.00 -0.49 1.44 4.07 -1.29 -1.05 115.31 119.66 1ubt h LEU 537 Ca 0.17 -0.17 0.05 0.00 0.08 0.00 0.00 57.88 58.01 1ubt h LEU 537 Cb 0.18 -0.26 -0.05 0.00 1.08 0.00 0.00 40.66 41.61 1ubt h LEU 537 CO -0.02 0.92 0.22 0.03 -1.08 0.00 0.00 178.44 178.51 1ubt h ARG 538 N 1.04 0.42 -0.08 1.13 3.08 -0.59 0.31 114.38 119.68 1ubt h ARG 538 Ca 0.23 -0.02 -0.04 0.00 0.07 0.00 0.00 59.98 60.22 1ubt h ARG 538 Cb 0.27 -0.09 -0.00 0.00 0.08 0.00 0.00 29.97 30.22 1ubt h ARG 538 CO -0.01 0.27 -0.10 1.15 -1.07 0.00 0.00 179.97 180.21 1ubt h THR 539 N 0.43 1.38 -0.27 2.04 2.02 -1.30 -1.87 112.91 115.35 1ubt h THR 539 Ca 0.22 -1.31 0.01 0.00 0.77 0.00 0.00 66.41 66.10 1ubt h THR 539 Cb 0.18 2.08 -0.02 0.00 -1.74 0.00 0.00 68.15 68.65 1ubt h THR 539 CO -0.19 0.37 0.17 0.58 0.37 0.00 0.00 175.52 176.82 1ubt h VAL 540 N -0.24 1.06 0.00 3.16 2.07 -1.00 -1.79 116.25 119.51 1ubt h VAL 540 Ca 0.01 -0.12 -0.02 0.00 0.82 0.00 0.00 66.70 67.39 1ubt h VAL 540 Cb 0.64 0.67 -0.00 0.00 -1.52 0.00 0.00 31.29 31.08 1ubt h VAL 540 CO 0.02 0.06 -0.11 0.45 0.02 0.00 0.00 177.57 178.02 1ubt h HIS 541 N 0.35 0.00 0.00 1.57 -0.00 -0.43 -2.27 115.15 114.38 1ubt h HIS 541 Ca 0.10 0.00 -0.01 0.00 -0.00 0.00 0.00 60.37 60.46 1ubt h HIS 541 Cb -0.03 0.00 -0.00 0.00 -0.00 0.00 0.00 27.41 27.38 1ubt h HIS 541 CO -0.07 0.11 -0.06 0.66 -0.00 0.00 0.00 177.93 178.57 1ubt h SER 542 N 0.00 0.00 0.95 2.45 4.64 -0.44 0.33 113.55 121.48 1ubt h SER 542 Ca -0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1ubt h SER 542 Cb 0.24 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.33 1ubt h SER 542 CO 0.01 0.06 -0.01 0.49 -0.87 0.00 0.00 176.83 176.52 1ubt n PHE 543 N -3.87 0.00 -3.32 4.77 3.72 -0.85 -4.60 117.46 113.31 1ubt n PHE 543 Ca -0.02 0.00 -0.18 0.00 -0.05 0.00 0.00 57.45 57.20 1ubt n PHE 543 Cb 0.16 -0.47 0.07 0.00 -0.94 0.00 0.00 39.48 38.29 1ubt n PHE 543 CO 0.00 0.00 0.00 -3.47 -0.05 0.00 0.00 176.76 173.24 1ubt n ASP 544 N -1.48 -6.45 -4.76 4.37 4.64 0.11 -4.90 116.55 108.07 1ubt n ASP 544 Ca 0.08 -0.76 -0.39 0.00 -1.38 0.00 0.00 54.79 52.34 1ubt n ASP 544 Cb 0.33 -4.92 0.01 0.00 -1.04 0.00 0.00 41.12 35.50 1ubt n ASP 544 CO 0.00 0.00 0.00 -2.84 -0.82 0.00 0.00 177.20 173.54 1ubt s PRO 545 N -4.64 3.69 -0.31 -0.67 0.02 -1.26 -4.94 135.00 126.89 1ubt s PRO 545 Ca 0.46 2.18 -0.02 0.00 0.02 0.00 0.00 61.00 63.64 1ubt s PRO 545 Cb -0.08 -2.58 0.10 0.00 0.02 0.00 0.00 34.50 31.97 1ubt s PRO 545 CO 0.76 -0.73 0.13 0.00 -0.33 0.00 0.00 177.00 176.83 1ubt h ILE 547 N 6.28 1.23 -0.57 0.00 1.08 -1.22 -0.28 117.51 124.03 1ubt h ILE 547 Ca -0.15 -2.81 -0.03 0.00 -0.39 0.00 0.00 64.86 61.48 1ubt h ILE 547 Cb 1.01 2.59 -0.03 0.00 -3.07 0.00 0.00 36.82 37.32 1ubt h ILE 547 CO 0.44 0.70 0.23 0.00 -0.69 0.00 0.00 178.15 178.83 1ubt h ALA 548 N 1.21 0.74 0.16 1.87 0.00 -1.83 -1.65 119.26 119.75 1ubt h ALA 548 Ca -0.05 -0.16 0.00 0.00 0.00 0.00 0.00 54.91 54.71 1ubt h ALA 548 Cb 1.64 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 19.20 1ubt h ALA 548 CO 0.10 0.35 -0.16 0.00 0.00 0.00 0.00 179.25 179.53 1ubt h GLY 550 N -0.34 0.51 0.12 0.00 0.00 -0.70 -3.32 103.07 99.34 1ubt h GLY 550 Ca 0.00 -0.36 -0.39 0.00 0.00 0.00 0.00 47.33 46.59 1ubt h GLY 550 CO -0.04 0.33 -2.34 -0.62 0.00 0.00 0.00 176.54 173.87 1ubt n VAL 551 N -4.20 1.56 -0.14 4.60 0.31 -0.65 -4.39 118.33 115.41 1ubt n VAL 551 Ca 0.00 -0.54 0.00 0.00 -0.01 0.00 0.00 64.34 63.79 1ubt n VAL 551 Cb 0.33 -1.57 0.00 0.00 -0.91 0.00 0.00 33.84 31.69 1ubt n VAL 551 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51