#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ubp s LYS 2 N 0.00 1.19 -0.09 2.12 1.02 -1.26 -5.15 119.74 117.57 1ubp s LYS 2 Ca 0.00 -1.14 0.01 0.00 0.02 0.00 0.00 55.97 54.87 1ubp s LYS 2 Cb 0.00 -1.45 -0.02 0.00 -0.52 0.00 0.00 37.83 35.84 1ubp s LYS 2 CO 0.00 0.34 -0.12 0.42 -0.92 0.00 0.00 175.35 175.07 1ubp s ILE 3 N -1.09 3.18 0.71 2.17 1.01 -1.26 -5.12 121.20 120.81 1ubp s ILE 3 Ca 0.07 -0.65 -0.12 0.00 0.00 0.00 0.00 60.65 59.95 1ubp s ILE 3 Cb -0.10 -2.30 0.02 0.00 0.01 0.00 0.00 42.46 40.09 1ubp s ILE 3 CO 0.04 0.56 1.08 0.54 0.00 0.00 0.00 174.94 177.16 1ubp s ASN 4 N -0.18 4.96 0.39 3.58 4.22 -1.26 -4.81 114.94 121.83 1ubp s ASN 4 Ca 0.00 1.82 0.10 0.00 -2.14 0.00 0.00 52.86 52.64 1ubp s ASN 4 Cb -0.13 -2.52 0.78 0.00 1.28 0.00 0.00 41.25 40.66 1ubp s ASN 4 CO 0.03 -1.73 1.91 0.03 -2.04 0.00 0.00 177.10 175.30 1ubp h ARG 5 N -0.62 0.21 -0.20 3.55 3.08 -1.99 -1.03 114.38 117.37 1ubp h ARG 5 Ca -0.45 -0.05 -0.02 0.00 0.07 0.00 0.00 59.98 59.53 1ubp h ARG 5 Cb 1.23 -0.03 -0.01 0.00 0.08 0.00 0.00 29.97 31.24 1ubp h ARG 5 CO 0.54 0.37 0.04 0.37 -1.07 0.00 0.00 179.97 180.21 1ubp h GLN 6 N 0.20 0.33 -0.43 0.04 5.75 -1.99 -0.34 115.11 118.66 1ubp h GLN 6 Ca 0.04 -0.09 -0.12 0.00 -0.15 0.00 0.00 58.65 58.33 1ubp h GLN 6 Cb 0.40 -0.04 -0.01 0.00 1.07 0.00 0.00 27.48 28.90 1ubp h GLN 6 CO 0.02 0.48 -0.21 1.96 -2.65 0.00 0.00 178.83 178.43 1ubp h GLN 7 N 0.13 0.86 -0.06 1.69 4.20 -1.91 -1.25 115.11 118.76 1ubp h GLN 7 Ca 0.06 -0.35 0.01 0.00 0.06 0.00 0.00 58.65 58.44 1ubp h GLN 7 Cb 0.31 -0.04 -0.01 0.00 0.30 0.00 0.00 27.48 28.04 1ubp h GLN 7 CO 0.00 0.99 -0.02 -0.92 -0.67 0.00 0.00 178.83 178.21 1ubp h TYR 8 N 0.75 -0.05 -0.40 2.96 5.03 -0.90 -1.94 116.97 122.42 1ubp h TYR 8 Ca 0.10 0.01 -0.08 0.00 2.58 0.00 0.00 58.73 61.34 1ubp h TYR 8 Cb 0.75 0.03 -0.02 0.00 1.55 0.00 0.00 36.73 39.04 1ubp h TYR 8 CO 0.04 -0.04 -0.08 0.00 -1.32 0.00 0.00 178.16 176.76 1ubp h ALA 9 N 1.05 1.10 -0.78 1.82 0.00 -0.83 -0.68 119.26 120.93 1ubp h ALA 9 Ca 0.03 -0.29 -0.01 0.00 0.00 0.00 0.00 54.91 54.64 1ubp h ALA 9 Cb 0.06 -0.17 -0.04 0.00 0.00 0.00 0.00 17.79 17.64 1ubp h ALA 9 CO -0.07 0.56 0.46 0.93 0.00 0.00 0.00 179.25 181.13 1ubp h GLU 10 N 0.64 1.07 0.21 0.00 5.08 -0.95 -0.02 114.58 120.61 1ubp h GLU 10 Ca 0.12 -0.10 -0.32 0.00 -1.00 0.00 0.00 59.36 58.05 1ubp h GLU 10 Cb 0.52 -0.22 0.03 0.00 0.50 0.00 0.00 28.75 29.58 1ubp h GLU 10 CO 0.03 0.76 -1.48 0.77 -1.00 0.00 0.00 179.01 178.10 1ubp h SER 11 N 1.09 0.70 0.00 1.42 0.02 -0.93 -3.41 113.55 112.44 1ubp h SER 11 Ca 0.28 -0.93 0.00 0.00 -0.84 0.00 0.00 61.79 60.30 1ubp h SER 11 Cb -0.02 -0.23 0.00 0.00 0.14 0.00 0.00 62.40 62.29 1ubp h SER 11 CO -0.05 1.69 0.00 -1.22 -1.14 0.00 0.00 176.83 176.11 1ubp n TYR 12 N -3.75 0.00 0.00 3.45 4.01 -0.30 -4.96 117.16 115.61 1ubp n TYR 12 Ca -0.20 -0.04 0.00 0.00 -0.16 0.00 0.00 57.90 57.51 1ubp n TYR 12 Cb 1.05 -0.00 0.00 0.00 -0.31 0.00 0.00 39.34 40.07 1ubp n TYR 12 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 1ubp n GLY 13 N -0.04 -1.01 3.75 2.72 0.00 -0.02 -4.48 105.19 106.11 1ubp n GLY 13 Ca 0.00 -1.64 -0.31 0.00 0.00 0.00 0.00 46.02 44.06 1ubp n GLY 13 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1ubp s PRO 14 N -2.00 2.01 0.36 1.61 0.04 -1.26 -4.08 135.00 131.68 1ubp s PRO 14 Ca 0.00 1.29 0.05 0.00 0.04 0.00 0.00 61.00 62.39 1ubp s PRO 14 Cb 0.00 -1.86 -0.02 0.00 0.04 0.00 0.00 34.50 32.66 1ubp s PRO 14 CO 0.00 -1.85 0.19 -2.37 0.04 0.00 0.00 177.00 173.01 1ubp n THR 15 N -3.57 0.00 -1.65 1.26 5.66 -1.26 -4.91 114.28 109.81 1ubp n THR 15 Ca 0.10 -2.28 -0.59 0.00 -3.05 0.00 0.00 64.05 58.23 1ubp n THR 15 Cb 0.53 0.94 -0.08 0.00 -1.55 0.00 0.00 70.33 70.17 1ubp n THR 15 CO 0.00 0.00 0.00 0.52 -3.05 0.00 0.00 175.07 172.54 1ubp n VAL 16 N -0.77 0.10 0.00 1.08 0.31 -1.26 -0.95 118.33 116.83 1ubp n VAL 16 Ca -0.01 -0.02 0.00 0.00 -0.01 0.00 0.00 64.34 64.31 1ubp n VAL 16 Cb 0.58 -0.70 0.00 0.00 -0.91 0.00 0.00 33.84 32.81 1ubp n VAL 16 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 1ubp n GLY 17 N 3.20 2.57 3.79 2.92 0.00 -0.77 -4.98 105.19 111.91 1ubp n GLY 17 Ca 0.24 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.91 1ubp n GLY 17 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1ubp s ASP 18 N -1.58 6.31 0.14 1.61 1.01 -0.13 -4.77 116.67 119.27 1ubp s ASP 18 Ca 0.00 2.05 0.10 0.00 0.71 0.00 0.00 52.55 55.40 1ubp s ASP 18 Cb 0.00 -2.58 -0.04 0.00 1.01 0.00 0.00 42.92 41.31 1ubp s ASP 18 CO 0.00 -0.80 -0.19 -1.61 0.21 0.00 0.00 175.17 172.78 1ubp s GLU 19 N -2.99 1.73 -0.04 8.23 2.02 -1.26 -1.46 118.70 124.93 1ubp s GLU 19 Ca 0.65 -1.28 0.02 0.00 0.02 0.00 0.00 54.97 54.39 1ubp s GLU 19 Cb -0.21 -2.04 0.01 0.00 0.10 0.00 0.00 34.13 31.99 1ubp s GLU 19 CO 0.25 0.45 -0.10 0.08 0.02 0.00 0.00 175.26 175.96 1ubp s VAL 20 N -1.32 0.89 0.15 2.63 1.01 0.27 -4.95 120.40 119.07 1ubp s VAL 20 Ca 0.19 -0.39 -0.30 0.00 0.00 0.00 0.00 61.98 61.48 1ubp s VAL 20 Cb -0.10 -0.80 -0.07 0.00 0.00 0.00 0.00 36.38 35.42 1ubp s VAL 20 CO 0.10 0.28 0.99 -0.60 0.00 0.00 0.00 175.10 175.88 1ubp s ARG 21 N 0.34 4.70 -0.53 2.72 3.52 -1.26 -1.40 118.95 127.03 1ubp s ARG 21 Ca -0.06 1.53 -0.25 0.00 -0.13 0.00 0.00 55.73 56.81 1ubp s ARG 21 Cb -0.11 -3.33 0.03 0.00 -1.56 0.00 0.00 34.95 29.98 1ubp s ARG 21 CO 0.01 0.23 1.00 -0.51 -0.81 0.00 0.00 175.30 175.22 1ubp s LEU 22 N -0.30 3.92 0.00 -0.88 1.43 -0.10 -4.74 118.68 118.00 1ubp s LEU 22 Ca 0.46 -0.11 0.00 0.00 -1.03 0.00 0.00 54.13 53.46 1ubp s LEU 22 Cb -0.25 -3.02 0.00 0.00 0.03 0.00 0.00 46.19 42.95 1ubp s LEU 22 CO 0.32 -1.24 0.00 0.00 0.23 0.00 0.00 176.35 175.66 1ubp n ALA 23 N 7.61 0.00 -1.03 4.21 0.00 -0.38 -1.37 120.51 129.55 1ubp n ALA 23 Ca 0.05 0.00 0.04 0.00 0.00 0.00 0.00 53.44 53.52 1ubp n ALA 23 Cb 0.48 0.00 0.31 0.00 0.00 0.00 0.00 19.45 20.24 1ubp n ALA 23 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 177.50 177.10 1ubp n ASP 24 N 2.21 4.49 -3.99 0.00 5.75 -1.26 -4.83 116.55 118.91 1ubp n ASP 24 Ca 0.00 -3.12 -0.30 0.00 -0.01 0.00 0.00 54.79 51.36 1ubp n ASP 24 Cb 0.00 -0.64 0.20 0.00 -1.03 0.00 0.00 41.12 39.65 1ubp n ASP 24 CO 0.00 0.00 0.00 0.42 -0.11 0.00 0.00 177.20 177.51 1ubp s THR 25 N -2.90 1.96 -1.86 2.12 -4.23 -0.47 -4.80 115.64 105.46 1ubp s THR 25 Ca 0.49 0.00 0.18 0.00 -1.18 0.00 0.00 61.69 61.18 1ubp s THR 25 Cb 0.39 -2.96 0.55 0.00 1.34 0.00 0.00 72.50 71.83 1ubp s THR 25 CO 0.11 0.00 1.46 0.47 -0.54 0.00 0.00 174.62 176.12 1ubp n ASP 26 N -3.91 3.41 -4.72 3.99 8.00 -1.26 -4.67 116.55 117.38 1ubp n ASP 26 Ca 0.16 -2.06 -0.39 0.00 0.71 0.00 0.00 54.79 53.21 1ubp n ASP 26 Cb 0.59 -0.43 -0.05 0.00 -0.02 0.00 0.00 41.12 41.21 1ubp n ASP 26 CO 0.00 0.00 0.00 -0.76 -0.39 0.00 0.00 177.20 176.05 1ubp s LEU 27 N -1.11 4.31 -0.12 0.64 1.43 -1.26 -5.01 118.68 117.57 1ubp s LEU 27 Ca 0.41 1.07 0.03 0.00 -1.03 0.00 0.00 54.13 54.62 1ubp s LEU 27 Cb 0.22 -2.95 0.00 0.00 0.03 0.00 0.00 46.19 43.50 1ubp s LEU 27 CO 0.27 -0.06 -0.23 0.26 0.23 0.00 0.00 176.35 176.81 1ubp s TRP 28 N 0.66 2.59 -0.01 0.29 0.52 -1.26 -0.93 118.94 120.80 1ubp s TRP 28 Ca 0.33 -1.16 -0.00 0.00 0.02 0.00 0.00 56.10 55.29 1ubp s TRP 28 Cb -0.17 -1.74 -0.04 0.00 -1.15 0.00 0.00 33.47 30.37 1ubp s TRP 28 CO 0.16 -0.50 0.06 0.96 0.02 0.00 0.00 176.95 177.65 1ubp s ILE 29 N 0.54 4.62 -0.07 2.03 -4.36 -0.49 -0.71 121.20 122.76 1ubp s ILE 29 Ca -0.14 -0.42 0.05 0.00 -0.26 0.00 0.00 60.65 59.88 1ubp s ILE 29 Cb -0.17 -3.09 -0.01 0.00 1.25 0.00 0.00 42.46 40.44 1ubp s ILE 29 CO 0.04 0.38 -0.22 -0.70 0.24 0.00 0.00 174.94 174.68 1ubp s GLU 30 N -1.64 2.68 -0.07 0.37 2.12 -1.26 -0.57 118.70 120.34 1ubp s GLU 30 Ca 0.21 -0.86 -0.30 0.00 0.36 0.00 0.00 54.97 54.39 1ubp s GLU 30 Cb -0.12 -2.25 -0.05 0.00 0.26 0.00 0.00 34.13 31.97 1ubp s GLU 30 CO 0.12 0.37 1.65 0.08 -0.54 0.00 0.00 175.26 176.94 1ubp s VAL 31 N -0.12 3.60 -0.02 3.70 1.01 -0.54 -4.75 120.40 123.28 1ubp s VAL 31 Ca -0.04 0.72 0.04 0.00 0.00 0.00 0.00 61.98 62.70 1ubp s VAL 31 Cb -0.14 -3.48 -0.25 0.00 0.00 0.00 0.00 36.38 32.51 1ubp s VAL 31 CO 0.04 -0.08 0.76 -0.33 0.00 0.00 0.00 175.10 175.50 1ubp h GLU 32 N 9.60 0.12 -2.94 2.72 5.08 -1.31 -2.04 114.58 125.80 1ubp h GLU 32 Ca -0.39 -0.20 0.03 0.00 -1.00 0.00 0.00 59.36 57.80 1ubp h GLU 32 Cb 1.17 0.08 -0.09 0.00 0.50 0.00 0.00 28.75 30.41 1ubp h GLU 32 CO 0.96 0.86 0.24 -1.59 -1.00 0.00 0.00 179.01 178.48 1ubp s LYS 33 N -2.61 1.44 -0.04 2.33 -2.85 -1.26 -4.88 119.74 111.86 1ubp s LYS 33 Ca -0.08 -0.66 -0.02 0.00 -1.00 0.00 0.00 55.97 54.21 1ubp s LYS 33 Cb 0.08 0.58 0.03 0.00 -2.06 0.00 0.00 37.83 36.46 1ubp s LYS 33 CO 0.82 -0.65 0.09 0.34 0.10 0.00 0.00 175.35 176.06 1ubp s ASP 34 N -2.81 0.15 0.00 0.03 -1.08 -1.26 -0.80 116.67 110.91 1ubp s ASP 34 Ca 0.05 0.17 0.28 0.00 -0.52 0.00 0.00 52.55 52.54 1ubp s ASP 34 Cb -0.03 0.05 1.16 0.00 -1.46 0.00 0.00 42.92 42.64 1ubp s ASP 34 CO -0.05 -0.16 1.82 -1.22 0.52 0.00 0.00 175.17 176.08 1ubp n TYR 35 N 4.39 0.00 -1.30 -5.34 4.02 -0.60 -4.92 117.16 113.40 1ubp n TYR 35 Ca -0.23 0.00 -0.29 0.00 -0.01 0.00 0.00 57.90 57.36 1ubp n TYR 35 Cb 0.51 -0.15 0.19 0.00 -0.02 0.00 0.00 39.34 39.86 1ubp n TYR 35 CO 0.00 0.00 0.00 -0.08 -1.01 0.00 0.00 176.86 175.77 1ubp s THR 36 N -2.43 1.86 -0.28 -0.72 -1.32 -1.26 -4.52 115.64 106.97 1ubp s THR 36 Ca 0.29 0.00 0.01 0.00 -1.21 0.00 0.00 61.69 60.78 1ubp s THR 36 Cb 0.20 -2.60 0.06 0.00 -1.51 0.00 0.00 72.50 68.65 1ubp s THR 36 CO 0.47 0.00 -0.05 -0.89 -2.21 0.00 0.00 174.62 171.94 1ubp s THR 37 N -3.15 2.51 -0.12 5.08 2.01 -1.26 -5.08 115.64 115.63 1ubp s THR 37 Ca 0.68 -1.60 -0.34 0.00 0.31 0.00 0.00 61.69 60.74 1ubp s THR 37 Cb -0.13 -2.49 -0.11 0.00 0.01 0.00 0.00 72.50 69.78 1ubp s THR 37 CO 0.56 -0.11 1.95 -1.22 -0.69 0.00 0.00 174.62 175.11 1ubp n TYR 38 N 4.50 2.24 0.00 4.92 4.01 -1.26 -0.89 117.16 130.67 1ubp n TYR 38 Ca -0.12 -0.01 0.00 0.00 -0.16 0.00 0.00 57.90 57.61 1ubp n TYR 38 Cb 0.42 -2.67 0.00 0.00 -0.31 0.00 0.00 39.34 36.79 1ubp n TYR 38 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 1ubp n GLY 39 N 4.76 2.58 0.72 2.72 0.00 -1.26 -4.90 105.19 109.81 1ubp n GLY 39 Ca 0.25 0.00 0.04 0.00 0.00 0.00 0.00 46.02 46.31 1ubp n GLY 39 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1ubp n ASP 40 N 0.00 2.39 -4.69 1.61 8.00 -0.07 -5.03 116.55 118.76 1ubp n ASP 40 Ca 0.00 -3.58 -0.42 0.00 0.71 0.00 0.00 54.79 51.50 1ubp n ASP 40 Cb 0.00 -0.55 -0.00 0.00 -0.02 0.00 0.00 41.12 40.55 1ubp n ASP 40 CO 0.00 0.00 0.00 -0.62 -0.39 0.00 0.00 177.20 176.19 1ubp n GLU 41 N -1.10 2.02 -3.09 -1.24 4.71 -1.23 -4.82 120.64 115.88 1ubp n GLU 41 Ca 0.24 0.71 -0.37 0.00 -0.01 0.00 0.00 57.16 57.73 1ubp n GLU 41 Cb 0.83 -2.32 -0.06 0.00 -1.01 0.00 0.00 31.44 28.87 1ubp n GLU 41 CO 0.00 0.00 0.00 0.08 0.09 0.00 0.00 177.13 177.30 1ubp s VAL 42 N -1.13 4.55 -0.08 2.62 1.01 -1.26 -4.90 120.40 121.21 1ubp s VAL 42 Ca 0.57 1.34 -0.30 0.00 0.00 0.00 0.00 61.98 63.59 1ubp s VAL 42 Cb -0.55 -3.90 0.09 0.00 0.00 0.00 0.00 36.38 32.01 1ubp s VAL 42 CO 0.61 0.28 0.79 0.54 0.00 0.00 0.00 175.10 177.32 1ubp s ASN 43 N -1.54 -0.55 -0.02 3.32 2.20 -1.26 -4.72 114.94 112.36 1ubp s ASN 43 Ca 0.41 0.56 0.06 0.00 -0.94 0.00 0.00 52.86 52.96 1ubp s ASN 43 Cb -0.18 0.46 -0.02 0.00 -2.00 0.00 0.00 41.25 39.52 1ubp s ASN 43 CO 0.22 -0.54 -0.22 0.12 -2.94 0.00 0.00 177.10 173.74 1ubp s PHE 44 N -1.33 1.98 -5.00 1.54 5.36 -1.26 -1.19 117.98 118.09 1ubp s PHE 44 Ca -0.07 -0.41 0.00 0.00 -0.96 0.00 0.00 56.93 55.49 1ubp s PHE 44 Cb -0.00 -1.29 0.00 0.00 -0.34 0.00 0.00 43.02 41.39 1ubp s PHE 44 CO 0.06 -0.06 0.00 0.41 -1.46 0.00 0.00 175.22 174.16 1ubp n GLY 45 N 2.63 -0.66 3.66 13.12 0.00 -1.26 -4.94 105.19 117.74 1ubp n GLY 45 Ca -0.16 -1.56 -0.42 0.00 0.00 0.00 0.00 46.02 43.88 1ubp n GLY 45 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1ubp s GLY 46 N 0.00 1.42 -0.95 -0.02 0.00 -1.26 -1.81 107.32 104.70 1ubp s GLY 46 Ca 0.00 1.17 0.00 0.00 0.00 0.00 0.00 44.72 45.89 1ubp s GLY 46 CO 0.00 3.36 0.00 0.61 0.00 0.00 0.00 173.10 177.07 1ubp n GLY 47 N 4.50 1.03 0.00 0.20 0.00 -1.26 -5.00 105.19 104.67 1ubp n GLY 47 Ca 0.20 -0.37 0.00 0.00 0.00 0.00 0.00 46.02 45.84 1ubp n GLY 47 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1ubp n LYS 48 N -2.22 1.50 0.11 1.61 5.02 -0.75 -5.05 118.16 118.38 1ubp n LYS 48 Ca -0.09 0.00 -0.22 0.00 -2.02 0.00 0.00 58.31 55.98 1ubp n LYS 48 Cb 0.36 0.00 -0.13 0.00 -0.02 0.00 0.00 35.03 35.24 1ubp n LYS 48 CO 0.00 0.00 0.00 0.28 -0.52 0.00 0.00 177.40 177.16 1ubp h VAL 49 N -0.17 1.30 -1.08 -0.18 2.07 -1.81 -3.40 116.25 112.99 1ubp h VAL 49 Ca 0.00 -2.57 -0.70 0.00 0.82 0.00 0.00 66.70 64.25 1ubp h VAL 49 Cb 0.00 2.79 -0.10 0.00 -1.52 0.00 0.00 31.29 32.46 1ubp h VAL 49 CO 0.00 0.78 2.13 0.18 0.02 0.00 0.00 177.57 180.67 1ubp n LEU 50 N -3.75 5.34 -3.95 2.57 4.77 -0.33 -0.33 117.00 121.32 1ubp n LEU 50 Ca -0.14 -4.11 -0.12 0.00 -0.03 0.00 0.00 56.01 51.62 1ubp n LEU 50 Cb 1.01 -1.69 -0.13 0.00 -2.33 0.00 0.00 43.42 40.28 1ubp n LEU 50 CO 0.58 0.47 -0.37 -0.13 -1.33 0.00 0.00 177.39 176.61 1ubp s ARG 51 N 3.29 0.25 0.10 3.23 0.52 -1.26 -4.69 118.95 120.39 1ubp s ARG 51 Ca 0.50 -0.36 -0.34 0.00 -0.52 0.00 0.00 55.73 55.01 1ubp s ARG 51 Cb 0.04 -0.06 -0.14 0.00 0.52 0.00 0.00 34.95 35.31 1ubp s ARG 51 CO 0.04 0.00 1.62 -1.91 0.02 0.00 0.00 175.30 175.07 1ubp n GLU 52 N 2.29 2.04 0.00 3.54 0.00 -1.26 -1.12 120.64 126.12 1ubp n GLU 52 Ca -0.18 0.74 0.00 0.00 0.00 0.00 0.00 57.16 57.72 1ubp n GLU 52 Cb 0.57 -2.51 0.00 0.00 0.00 0.00 0.00 31.44 29.50 1ubp n GLU 52 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.13 177.54 1ubp n GLY 53 N 3.53 1.94 0.00 8.31 0.00 -0.36 -4.91 105.19 113.70 1ubp n GLY 53 Ca 0.18 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.20 1ubp n GLY 53 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 173.32 174.35 1ubp n MET 54 N -2.00 0.00 0.16 1.61 2.81 -0.28 -4.93 117.12 114.49 1ubp n MET 54 Ca 0.00 0.00 0.13 0.00 -1.81 0.00 0.00 57.70 56.02 1ubp n MET 54 Cb 0.00 0.00 0.41 0.00 -0.71 0.00 0.00 33.22 32.92 1ubp n MET 54 CO 0.00 0.00 0.00 0.78 1.51 0.00 0.00 175.97 178.26 1ubp h GLY 55 N 0.00 0.00 -6.93 3.03 0.00 -0.59 -3.42 103.07 95.16 1ubp h GLY 55 Ca 0.00 0.00 -0.62 0.00 0.00 0.00 0.00 47.33 46.71 1ubp h GLY 55 CO 0.00 0.00 -0.53 1.85 0.00 0.00 0.00 176.54 177.86 1ubp s GLU 56 N -3.24 4.01 0.16 4.80 2.12 -0.83 -2.47 118.70 123.25 1ubp s GLU 56 Ca 0.07 -0.30 -0.30 0.00 0.36 0.00 0.00 54.97 54.80 1ubp s GLU 56 Cb 0.10 -3.46 -0.07 0.00 0.26 0.00 0.00 34.13 30.95 1ubp s GLU 56 CO 0.56 0.08 1.16 1.21 -0.54 0.00 0.00 175.26 177.73 1ubp s ASN 57 N 0.99 7.15 0.00 -1.70 3.84 0.20 -1.22 114.94 124.19 1ubp s ASN 57 Ca 0.07 2.14 0.21 0.00 0.21 0.00 0.00 52.86 55.49 1ubp s ASN 57 Cb -0.13 -2.60 0.41 0.00 -0.55 0.00 0.00 41.25 38.37 1ubp s ASN 57 CO 0.04 -0.34 1.36 0.61 -2.79 0.00 0.00 177.10 175.98 1ubp n GLY 58 N 2.35 1.75 0.27 1.21 0.00 -1.26 -3.88 105.19 105.63 1ubp n GLY 58 Ca 0.05 -0.69 -0.24 0.00 0.00 0.00 0.00 46.02 45.14 1ubp n GLY 58 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 1ubp n THR 59 N 1.38 1.27 -2.74 2.61 -1.04 -1.26 -4.99 114.28 109.51 1ubp n THR 59 Ca 0.18 -0.34 -0.40 0.00 -2.04 0.00 0.00 64.05 61.45 1ubp n THR 59 Cb 0.57 -1.77 -0.05 0.00 -1.82 0.00 0.00 70.33 67.26 1ubp n THR 59 CO 0.00 0.00 0.00 -0.31 -0.64 0.00 0.00 175.07 174.12 1ubp s TYR 60 N -2.43 3.91 0.90 -1.42 2.02 -1.26 -5.06 117.35 114.01 1ubp s TYR 60 Ca -0.32 1.87 -0.12 0.00 -0.37 0.00 0.00 57.07 58.13 1ubp s TYR 60 Cb 0.12 -3.02 0.13 0.00 -0.40 0.00 0.00 41.96 38.80 1ubp s TYR 60 CO 0.42 0.34 1.10 0.95 -1.57 0.00 0.00 175.55 176.79 1ubp s THR 61 N -0.71 2.54 0.27 -0.71 -4.23 -1.26 -4.57 115.64 106.97 1ubp s THR 61 Ca 0.43 0.18 -0.01 0.00 -1.18 0.00 0.00 61.69 61.11 1ubp s THR 61 Cb -0.25 -2.74 0.27 0.00 1.34 0.00 0.00 72.50 71.12 1ubp s THR 61 CO 0.31 -0.23 1.84 -0.09 -0.54 0.00 0.00 174.62 175.91 1ubp h ARG 62 N -1.53 0.95 0.00 3.99 2.43 -1.97 -1.55 114.38 116.69 1ubp h ARG 62 Ca -0.50 -0.06 0.00 0.00 -0.81 0.00 0.00 59.98 58.61 1ubp h ARG 62 Cb 1.30 -0.22 0.00 0.00 -0.42 0.00 0.00 29.97 30.63 1ubp h ARG 62 CO 0.57 0.63 0.00 1.79 -1.51 0.00 0.00 179.97 181.45 1ubp h THR 63 N 0.98 0.00 -1.49 0.20 1.35 -1.93 -3.12 112.91 108.90 1ubp h THR 63 Ca 0.46 -0.38 -0.76 0.00 -0.55 0.00 0.00 66.41 65.18 1ubp h THR 63 Cb 0.40 1.23 -0.16 0.00 -1.73 0.00 0.00 68.15 67.90 1ubp h THR 63 CO -0.25 0.00 1.99 -0.62 -0.25 0.00 0.00 175.52 176.39 1ubp n GLU 64 N -2.50 4.05 -2.02 4.72 1.02 -0.58 -4.64 120.64 120.69 1ubp n GLU 64 Ca 0.02 -3.65 -0.18 0.00 -0.02 0.00 0.00 57.16 53.34 1ubp n GLU 64 Cb 0.29 -2.78 -0.04 0.00 -0.02 0.00 0.00 31.44 28.90 1ubp n GLU 64 CO 0.00 0.00 0.00 0.09 1.18 0.00 0.00 177.13 178.40 1ubp n ASN 65 N 2.85 -5.23 -4.84 1.62 3.02 -1.26 -4.73 115.26 106.69 1ubp n ASN 65 Ca 0.45 0.17 -0.36 0.00 -0.03 0.00 0.00 54.58 54.80 1ubp n ASN 65 Cb 0.32 -4.30 -0.07 0.00 -0.61 0.00 0.00 39.78 35.12 1ubp n ASN 65 CO 0.00 0.00 0.00 -0.69 -2.62 0.00 0.00 177.26 173.95 1ubp s VAL 66 N -2.81 5.24 0.33 2.41 1.01 -1.18 -1.82 120.40 123.58 1ubp s VAL 66 Ca 0.00 0.09 -0.07 0.00 0.00 0.00 0.00 61.98 62.00 1ubp s VAL 66 Cb 0.00 -3.28 -0.06 0.00 0.00 0.00 0.00 36.38 33.04 1ubp s VAL 66 CO 0.00 0.60 0.63 -0.76 0.00 0.00 0.00 175.10 175.57 1ubp s LEU 67 N -1.06 3.98 0.09 3.92 1.43 -0.52 -4.80 118.68 121.73 1ubp s LEU 67 Ca 0.15 0.86 0.05 0.00 -1.03 0.00 0.00 54.13 54.17 1ubp s LEU 67 Cb -0.12 -3.70 -0.23 0.00 0.03 0.00 0.00 46.19 42.17 1ubp s LEU 67 CO 0.05 -0.27 1.18 0.44 0.23 0.00 0.00 176.35 177.98 1ubp h ASP 68 N 1.53 0.08 -3.58 2.29 3.32 -1.47 -3.17 116.42 115.43 1ubp h ASP 68 Ca -0.47 -0.09 -0.15 0.00 0.02 0.00 0.00 57.03 56.34 1ubp h ASP 68 Cb 1.19 -0.03 -0.26 0.00 0.22 0.00 0.00 39.33 40.45 1ubp h ASP 68 CO 0.65 1.07 -0.35 -0.22 -1.72 0.00 0.00 179.24 178.67 1ubp s LEU 69 N -6.73 0.45 -0.14 1.55 2.96 -0.89 -0.45 118.68 115.44 1ubp s LEU 69 Ca -0.01 0.70 0.02 0.00 -0.22 0.00 0.00 54.13 54.62 1ubp s LEU 69 Cb 0.09 1.11 0.01 0.00 0.50 0.00 0.00 46.19 47.90 1ubp s LEU 69 CO 0.83 -0.15 -0.20 -0.22 -1.32 0.00 0.00 176.35 175.29 1ubp s LEU 70 N 0.73 2.03 -0.39 -0.68 2.96 0.01 -0.89 118.68 122.45 1ubp s LEU 70 Ca -0.05 -0.58 -0.19 0.00 -0.22 0.00 0.00 54.13 53.10 1ubp s LEU 70 Cb -0.06 -1.38 0.01 0.00 0.50 0.00 0.00 46.19 45.26 1ubp s LEU 70 CO -0.05 0.05 0.57 -0.76 -1.32 0.00 0.00 176.35 174.84 1ubp s LEU 71 N 0.94 4.46 0.14 -0.68 1.02 0.08 -1.28 118.68 123.36 1ubp s LEU 71 Ca -0.05 -0.21 -0.24 0.00 0.02 0.00 0.00 54.13 53.65 1ubp s LEU 71 Cb -0.15 -2.64 -0.08 0.00 0.02 0.00 0.00 46.19 43.34 1ubp s LEU 71 CO -0.04 -0.63 0.74 0.42 0.02 0.00 0.00 176.35 176.86 1ubp s THR 72 N 2.57 4.46 -1.34 5.49 -4.23 -0.26 -1.20 115.64 121.13 1ubp s THR 72 Ca 0.20 1.61 -0.05 0.00 -1.18 0.00 0.00 61.69 62.27 1ubp s THR 72 Cb -0.15 -4.09 0.02 0.00 1.34 0.00 0.00 72.50 69.62 1ubp s THR 72 CO 0.16 0.52 0.99 0.59 -0.54 0.00 0.00 174.62 176.33 1ubp n ASN 73 N 1.70 -3.69 -4.75 3.99 3.02 -1.25 -0.69 115.26 113.59 1ubp n ASN 73 Ca -0.06 -0.67 -0.40 0.00 -0.03 0.00 0.00 54.58 53.41 1ubp n ASN 73 Cb 0.49 -4.63 -0.05 0.00 -0.61 0.00 0.00 39.78 34.98 1ubp n ASN 73 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1ubp s ALA 74 N -3.40 3.37 -0.62 5.41 0.00 -0.01 -3.07 121.76 123.42 1ubp s ALA 74 Ca 0.31 0.73 -0.19 0.00 0.00 0.00 0.00 51.96 52.81 1ubp s ALA 74 Cb -0.14 -3.26 0.11 0.00 0.00 0.00 0.00 23.12 19.83 1ubp s ALA 74 CO 0.77 0.06 0.73 -1.17 0.00 0.00 0.00 175.76 176.15 1ubp s LEU 75 N -1.26 5.45 -0.00 0.00 2.96 -1.08 -1.49 118.68 123.25 1ubp s LEU 75 Ca 0.42 -1.53 -0.30 0.00 -0.22 0.00 0.00 54.13 52.50 1ubp s LEU 75 Cb -0.28 -2.30 -0.03 0.00 0.50 0.00 0.00 46.19 44.07 1ubp s LEU 75 CO 0.35 -1.09 1.00 -0.63 -1.32 0.00 0.00 176.35 174.67 1ubp s ILE 76 N 2.56 4.80 -0.26 6.68 1.01 0.05 0.01 121.20 136.06 1ubp s ILE 76 Ca 0.13 2.02 0.03 0.00 0.00 0.00 0.00 60.65 62.82 1ubp s ILE 76 Cb -0.23 -4.29 0.06 0.00 0.01 0.00 0.00 42.46 38.01 1ubp s ILE 76 CO 0.05 0.14 -0.10 -0.22 0.00 0.00 0.00 174.94 174.81 1ubp s LEU 77 N 1.10 3.30 0.18 2.97 2.96 -0.71 -1.88 118.68 126.60 1ubp s LEU 77 Ca 0.52 -1.36 -0.12 0.00 -0.22 0.00 0.00 54.13 52.95 1ubp s LEU 77 Cb -0.21 -1.49 0.01 0.00 0.50 0.00 0.00 46.19 44.99 1ubp s LEU 77 CO 0.27 -0.20 0.38 -0.62 -1.32 0.00 0.00 176.35 174.87 1ubp s ASP 78 N 1.15 -0.08 0.52 3.68 2.15 -0.76 -4.50 116.67 118.83 1ubp s ASP 78 Ca -0.08 -0.72 0.21 0.00 0.43 0.00 0.00 52.55 52.39 1ubp s ASP 78 Cb -0.20 0.50 1.37 0.00 -0.30 0.00 0.00 42.92 44.29 1ubp s ASP 78 CO -0.05 -0.96 2.12 0.10 -0.17 0.00 0.00 175.17 176.20 1ubp h TYR 79 N 2.40 0.00 0.00 -5.34 -0.00 -1.92 -2.18 116.97 109.93 1ubp h TYR 79 Ca -0.30 0.00 0.00 0.00 -0.00 0.00 0.00 58.73 58.43 1ubp h TYR 79 Cb 1.24 0.00 0.00 0.00 -0.00 0.00 0.00 36.73 37.97 1ubp h TYR 79 CO 0.38 0.07 0.00 1.79 -0.00 0.00 0.00 178.16 180.41 1ubp h THR 80 N 0.00 0.00 0.00 -0.90 1.35 -1.96 -3.49 112.91 107.92 1ubp h THR 80 Ca -0.00 -0.76 0.00 0.00 -0.55 0.00 0.00 66.41 65.10 1ubp h THR 80 Cb 0.15 1.75 0.00 0.00 -1.73 0.00 0.00 68.15 68.32 1ubp h THR 80 CO 0.01 0.00 0.00 0.61 -0.25 0.00 0.00 175.52 175.89 1ubp n GLY 81 N 0.62 2.10 3.00 5.82 0.00 -0.82 -5.07 105.19 110.84 1ubp n GLY 81 Ca 0.03 -1.15 -0.31 0.00 0.00 0.00 0.00 46.02 44.59 1ubp n GLY 81 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1ubp s ILE 82 N -2.00 2.18 0.21 -0.61 1.01 -1.26 -1.82 121.20 118.91 1ubp s ILE 82 Ca 0.00 -2.26 -0.17 0.00 0.00 0.00 0.00 60.65 58.22 1ubp s ILE 82 Cb 0.00 -2.60 0.02 0.00 0.01 0.00 0.00 42.46 39.89 1ubp s ILE 82 CO 0.00 -0.59 0.54 -0.72 0.00 0.00 0.00 174.94 174.17 1ubp s TYR 83 N 0.96 -0.07 -0.21 3.97 1.13 -0.79 -0.78 117.35 121.56 1ubp s TYR 83 Ca 0.10 -0.29 -0.09 0.00 -1.41 0.00 0.00 57.07 55.38 1ubp s TYR 83 Cb -0.19 0.41 -0.04 0.00 -1.10 0.00 0.00 41.96 41.03 1ubp s TYR 83 CO -0.09 -0.97 0.10 0.21 -2.51 0.00 0.00 175.55 172.29 1ubp s LYS 84 N -3.90 3.97 0.18 -3.49 2.47 0.02 -0.77 119.74 118.23 1ubp s LYS 84 Ca 0.11 -0.33 -0.22 0.00 -1.56 0.00 0.00 55.97 53.97 1ubp s LYS 84 Cb -0.02 -3.36 0.06 0.00 -1.46 0.00 0.00 37.83 33.06 1ubp s LYS 84 CO -0.00 0.13 0.61 0.00 0.16 0.00 0.00 175.35 176.24 1ubp s ALA 85 N 0.81 -1.45 0.32 3.13 0.00 -0.55 -1.56 121.76 122.46 1ubp s ALA 85 Ca 0.05 0.27 -0.22 0.00 0.00 0.00 0.00 51.96 52.05 1ubp s ALA 85 Cb -0.13 0.87 -0.10 0.00 0.00 0.00 0.00 23.12 23.76 1ubp s ALA 85 CO 0.02 -0.81 0.88 -0.51 0.00 0.00 0.00 175.76 175.33 1ubp s ASP 86 N -2.79 7.13 -0.15 0.00 1.01 -0.33 -0.83 116.67 120.71 1ubp s ASP 86 Ca 0.03 1.66 0.01 0.00 0.71 0.00 0.00 52.55 54.96 1ubp s ASP 86 Cb -0.02 -2.51 0.00 0.00 1.01 0.00 0.00 42.92 41.40 1ubp s ASP 86 CO -0.09 -0.12 -0.18 -0.63 0.21 0.00 0.00 175.17 174.36 1ubp s ILE 87 N -1.76 2.41 -0.13 0.77 1.01 -0.34 -1.22 121.20 121.94 1ubp s ILE 87 Ca 0.52 -0.86 -0.04 0.00 0.00 0.00 0.00 60.65 60.27 1ubp s ILE 87 Cb -0.15 -2.00 -0.03 0.00 0.01 0.00 0.00 42.46 40.29 1ubp s ILE 87 CO 0.20 0.53 -0.01 -0.83 0.00 0.00 0.00 174.94 174.83 1ubp s GLY 88 N 0.84 1.79 -0.03 6.18 0.00 0.95 -0.74 107.32 116.31 1ubp s GLY 88 Ca -0.06 -0.80 0.07 0.00 0.00 0.00 0.00 44.72 43.93 1ubp s GLY 88 CO -0.01 -0.23 -0.23 0.14 0.00 0.00 0.00 173.10 172.76 1ubp s VAL 89 N -0.09 1.85 -0.19 1.40 1.01 -0.07 -0.47 120.40 123.85 1ubp s VAL 89 Ca 0.03 -0.99 -0.14 0.00 0.00 0.00 0.00 61.98 60.89 1ubp s VAL 89 Cb -0.13 -1.54 0.06 0.00 0.00 0.00 0.00 36.38 34.76 1ubp s VAL 89 CO 0.02 0.52 0.48 -0.75 0.00 0.00 0.00 175.10 175.38 1ubp s LYS 90 N -0.43 0.51 -1.46 2.72 2.20 -0.23 -1.42 119.74 121.64 1ubp s LYS 90 Ca 0.06 0.80 -0.02 0.00 -0.36 0.00 0.00 55.97 56.45 1ubp s LYS 90 Cb -0.10 0.13 0.01 0.00 -1.51 0.00 0.00 37.83 36.36 1ubp s LYS 90 CO 0.00 -0.12 0.21 -0.25 -0.36 0.00 0.00 175.35 174.83 1ubp n ASP 91 N 3.64 -5.14 0.00 1.43 8.00 -1.26 -1.23 116.55 121.99 1ubp n ASP 91 Ca -0.19 -0.07 0.00 0.00 0.71 0.00 0.00 54.79 55.25 1ubp n ASP 91 Cb 0.56 -4.26 0.00 0.00 -0.02 0.00 0.00 41.12 37.41 1ubp n ASP 91 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1ubp n GLY 92 N -1.10 1.60 3.58 0.44 0.00 -1.26 -5.03 105.19 103.42 1ubp n GLY 92 Ca -0.16 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.62 1ubp n GLY 92 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1ubp s TYR 93 N -3.24 2.56 -0.21 1.61 1.51 -0.37 -1.15 117.35 118.07 1ubp s TYR 93 Ca 0.00 -0.26 -0.29 0.00 -1.01 0.00 0.00 57.07 55.51 1ubp s TYR 93 Cb 0.00 -1.15 -0.01 0.00 -0.11 0.00 0.00 41.96 40.69 1ubp s TYR 93 CO 0.00 0.63 1.31 0.42 -1.11 0.00 0.00 175.55 176.79 1ubp s ILE 94 N -2.26 4.19 -0.27 2.71 1.01 0.84 -1.06 121.20 126.36 1ubp s ILE 94 Ca 0.30 1.40 0.12 0.00 0.00 0.00 0.00 60.65 62.47 1ubp s ILE 94 Cb -0.06 -4.01 -0.16 0.00 0.01 0.00 0.00 42.46 38.23 1ubp s ILE 94 CO 0.17 -0.24 0.37 1.33 0.00 0.00 0.00 174.94 176.57 1ubp n VAL 95 N 5.68 0.00 -3.68 2.92 0.24 0.38 -0.21 118.33 123.66 1ubp n VAL 95 Ca 0.14 -0.25 -0.12 0.00 -2.04 0.00 0.00 64.34 62.08 1ubp n VAL 95 Cb 0.45 0.59 -0.09 0.00 -1.47 0.00 0.00 33.84 33.33 1ubp n VAL 95 CO 0.00 0.00 0.00 -0.83 -2.14 0.00 0.00 176.83 173.86 1ubp s GLY 96 N -2.77 -0.42 -0.21 7.63 0.00 -1.08 -4.79 107.32 105.68 1ubp s GLY 96 Ca -0.00 1.67 0.00 0.00 0.00 0.00 0.00 44.72 46.39 1ubp s GLY 96 CO 0.49 1.59 -0.07 -0.42 0.00 0.00 0.00 173.10 174.69 1ubp s ILE 97 N 0.80 1.47 0.00 0.90 1.01 -1.26 -0.04 121.20 124.09 1ubp s ILE 97 Ca -0.04 -1.04 0.00 0.00 0.00 0.00 0.00 60.65 59.57 1ubp s ILE 97 Cb -0.05 -1.67 0.00 0.00 0.01 0.00 0.00 42.46 40.75 1ubp s ILE 97 CO -0.06 0.03 0.00 0.61 0.00 0.00 0.00 174.94 175.51 1ubp n GLY 98 N 4.72 -0.36 2.86 6.18 0.00 -0.36 -4.99 105.19 113.24 1ubp n GLY 98 Ca -0.13 0.47 -0.26 0.00 0.00 0.00 0.00 46.02 46.11 1ubp n GLY 98 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1ubp s LYS 99 N 0.00 1.22 0.30 1.61 2.36 -1.26 -1.19 119.74 122.78 1ubp s LYS 99 Ca 0.00 -0.17 0.03 0.00 -2.55 0.00 0.00 55.97 53.29 1ubp s LYS 99 Cb 0.00 -1.45 -0.03 0.00 -1.05 0.00 0.00 37.83 35.31 1ubp s LYS 99 CO 0.00 -0.30 0.46 0.20 1.55 0.00 0.00 175.35 177.26 1ubp s GLY 100 N 1.79 1.33 0.00 5.54 0.00 -1.26 -0.70 107.32 114.01 1ubp s GLY 100 Ca 0.05 -1.15 0.00 0.00 0.00 0.00 0.00 44.72 43.62 1ubp s GLY 100 CO -0.07 -1.11 0.00 0.61 0.00 0.00 0.00 173.10 172.52 1ubp n GLY 101 N -1.61 0.46 3.06 0.20 0.00 -0.96 -4.65 105.19 101.70 1ubp n GLY 101 Ca -0.06 -1.29 -0.30 0.00 0.00 0.00 0.00 46.02 44.36 1ubp n GLY 101 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 1ubp s ASN 102 N -4.00 2.73 0.19 1.61 2.47 -1.03 -1.17 114.94 115.75 1ubp s ASN 102 Ca 0.00 -0.51 0.23 0.00 0.42 0.00 0.00 52.86 53.01 1ubp s ASN 102 Cb 0.00 -1.23 0.91 0.00 -1.45 0.00 0.00 41.25 39.48 1ubp s ASN 102 CO 0.00 -0.01 1.71 -0.81 -3.72 0.00 0.00 177.10 174.27 1ubp n PRO 103 N 4.49 0.17 -0.08 0.43 -0.04 -1.26 -1.68 135.00 137.02 1ubp n PRO 103 Ca -0.18 0.32 -0.07 0.00 -0.04 0.00 0.00 63.50 63.52 1ubp n PRO 103 Cb 0.51 -1.78 -0.01 0.00 -0.04 0.00 0.00 33.50 32.18 1ubp n PRO 103 CO 0.00 0.00 0.00 -0.44 -0.04 0.00 0.00 175.50 175.02 1ubp h ASP 104 N 0.00 -0.73 0.00 3.54 3.32 -1.94 -3.37 116.42 117.24 1ubp h ASP 104 Ca 0.00 0.15 0.00 0.00 0.02 0.00 0.00 57.03 57.20 1ubp h ASP 104 Cb 0.45 0.37 0.00 0.00 0.22 0.00 0.00 39.33 40.37 1ubp h ASP 104 CO 0.00 -0.25 0.00 2.30 -1.72 0.00 0.00 179.24 179.57 1ubp n ILE 105 N -5.38 0.00 -4.11 0.35 -5.35 -1.04 -5.09 119.36 98.74 1ubp n ILE 105 Ca 0.01 -0.30 -0.31 0.00 -0.27 0.00 0.00 62.75 61.88 1ubp n ILE 105 Cb 0.29 1.09 -0.07 0.00 -1.74 0.00 0.00 39.64 39.20 1ubp n ILE 105 CO 0.00 0.00 0.00 -0.04 -1.76 0.00 0.00 176.55 174.75 1ubp s MET 106 N -0.47 2.72 0.29 6.28 -1.94 -0.68 -5.10 119.30 120.41 1ubp s MET 106 Ca 0.00 -0.74 -0.10 0.00 -1.71 0.00 0.00 55.69 53.14 1ubp s MET 106 Cb 0.00 -2.64 -0.07 0.00 2.01 0.00 0.00 34.83 34.13 1ubp s MET 106 CO 0.00 0.56 0.62 -0.51 -0.01 0.00 0.00 175.02 175.69 1ubp s ASP 107 N -2.23 6.59 -0.89 3.03 1.01 -1.26 -4.43 116.67 118.48 1ubp s ASP 107 Ca 0.26 0.98 0.00 0.00 0.71 0.00 0.00 52.55 54.50 1ubp s ASP 107 Cb -0.12 -2.25 0.00 0.00 1.01 0.00 0.00 42.92 41.56 1ubp s ASP 107 CO 0.19 -0.19 0.00 0.61 0.21 0.00 0.00 175.17 175.99 1ubp n GLY 108 N -0.58 0.94 3.69 0.21 0.00 -1.26 -4.75 105.19 103.44 1ubp n GLY 108 Ca 0.01 -0.64 -0.42 0.00 0.00 0.00 0.00 46.02 44.96 1ubp n GLY 108 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1ubp s VAL 109 N -2.33 4.44 0.26 1.61 1.01 -1.26 -4.57 120.40 119.56 1ubp s VAL 109 Ca 0.00 1.74 -0.30 0.00 0.00 0.00 0.00 61.98 63.42 1ubp s VAL 109 Cb 0.00 -4.12 -0.11 0.00 0.00 0.00 0.00 36.38 32.15 1ubp s VAL 109 CO 0.00 -0.01 1.56 -0.89 0.00 0.00 0.00 175.10 175.76 1ubp s THR 110 N 2.19 2.29 0.46 3.92 2.01 0.12 -4.87 115.64 121.76 1ubp s THR 110 Ca 0.53 0.23 0.14 0.00 0.31 0.00 0.00 61.69 62.90 1ubp s THR 110 Cb -0.22 -3.15 0.22 0.00 0.01 0.00 0.00 72.50 69.35 1ubp s THR 110 CO 0.20 0.03 2.05 -0.65 -0.69 0.00 0.00 174.62 175.56 1ubp h PRO 111 N 5.28 0.06 -0.69 4.92 0.11 -1.93 -0.52 132.00 139.22 1ubp h PRO 111 Ca -0.46 -0.01 -0.23 0.00 0.11 0.00 0.00 66.00 65.42 1ubp h PRO 111 Cb 1.22 -0.01 -0.14 0.00 0.11 0.00 0.00 31.00 32.18 1ubp h PRO 111 CO 0.82 0.15 0.26 0.27 -0.21 0.00 0.00 178.00 179.28 1ubp n ASN 112 N -4.41 4.43 -2.30 -2.05 6.94 -1.26 -4.46 115.26 112.15 1ubp n ASN 112 Ca -0.02 -3.30 -0.26 0.00 -0.02 0.00 0.00 54.58 50.98 1ubp n ASN 112 Cb 0.18 -0.73 0.01 0.00 -2.36 0.00 0.00 39.78 36.88 1ubp n ASN 112 CO 0.00 0.00 0.00 0.23 -1.03 0.00 0.00 177.26 176.46 1ubp n MET 113 N -0.38 3.49 -2.73 -3.83 2.81 -0.20 -4.61 117.12 111.66 1ubp n MET 113 Ca 0.41 -4.37 -0.42 0.00 -1.81 0.00 0.00 57.70 51.51 1ubp n MET 113 Cb 1.35 -2.26 -0.03 0.00 -0.71 0.00 0.00 33.22 31.57 1ubp n MET 113 CO 0.00 0.00 0.00 0.42 1.51 0.00 0.00 175.97 177.90 1ubp s ILE 114 N -5.16 4.86 -0.37 2.02 1.01 -0.76 -2.27 121.20 120.53 1ubp s ILE 114 Ca 0.49 2.00 -0.28 0.00 0.00 0.00 0.00 60.65 62.86 1ubp s ILE 114 Cb 0.40 -4.29 0.02 0.00 0.01 0.00 0.00 42.46 38.60 1ubp s ILE 114 CO -0.10 0.12 1.05 -0.69 0.00 0.00 0.00 174.94 175.32 1ubp s VAL 115 N 1.32 4.46 0.00 2.92 1.01 -0.31 -1.44 120.40 128.35 1ubp s VAL 115 Ca 0.50 1.49 0.00 0.00 0.00 0.00 0.00 61.98 63.97 1ubp s VAL 115 Cb -0.20 -4.44 0.00 0.00 0.00 0.00 0.00 36.38 31.74 1ubp s VAL 115 CO 0.24 -0.61 0.00 0.61 0.00 0.00 0.00 175.10 175.34 1ubp n GLY 116 N 4.21 5.48 0.37 4.51 0.00 -1.26 0.63 105.19 119.13 1ubp n GLY 116 Ca 0.11 -1.84 0.06 0.00 0.00 0.00 0.00 46.02 44.35 1ubp n GLY 116 CO 0.00 0.00 0.00 -0.84 0.00 0.00 0.00 173.32 172.48 1ubp h THR 117 N 0.45 0.98 0.00 2.61 2.02 -1.81 -2.53 112.91 114.64 1ubp h THR 117 Ca 0.00 -0.34 0.00 0.00 0.77 0.00 0.00 66.41 66.84 1ubp h THR 117 Cb 0.00 -0.08 0.00 0.00 -1.74 0.00 0.00 68.15 66.33 1ubp h THR 117 CO 0.00 0.18 0.00 0.00 0.37 0.00 0.00 175.52 176.07 1ubp n ALA 118 N -2.38 2.24 -2.70 6.16 0.00 -1.26 -4.89 120.51 117.69 1ubp n ALA 118 Ca 0.16 -0.12 -0.36 0.00 0.00 0.00 0.00 53.44 53.12 1ubp n ALA 118 Cb 0.29 -1.36 -0.08 0.00 0.00 0.00 0.00 19.45 18.30 1ubp n ALA 118 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.50 178.49 1ubp s THR 119 N -2.26 5.35 0.36 0.00 2.01 -0.95 -4.51 115.64 115.64 1ubp s THR 119 Ca 0.28 0.29 -0.08 0.00 0.31 0.00 0.00 61.69 62.49 1ubp s THR 119 Cb 0.15 -3.53 -0.06 0.00 0.01 0.00 0.00 72.50 69.07 1ubp s THR 119 CO 0.29 0.38 0.68 -0.70 -0.69 0.00 0.00 174.62 174.58 1ubp s GLU 120 N 0.75 3.70 -0.07 4.92 2.56 0.41 -4.87 118.70 126.10 1ubp s GLU 120 Ca 0.10 0.24 0.03 0.00 0.00 0.00 0.00 54.97 55.34 1ubp s GLU 120 Cb -0.13 -2.50 0.01 0.00 2.00 0.00 0.00 34.13 33.52 1ubp s GLU 120 CO 0.02 0.06 -0.14 0.08 -0.56 0.00 0.00 175.26 174.72 1ubp s VAL 121 N -2.28 1.28 -0.16 3.70 1.01 -1.26 -0.81 120.40 121.88 1ubp s VAL 121 Ca 0.48 -0.57 -0.02 0.00 0.00 0.00 0.00 61.98 61.86 1ubp s VAL 121 Cb -0.10 -1.15 -0.02 0.00 0.00 0.00 0.00 36.38 35.11 1ubp s VAL 121 CO 0.32 0.39 -0.08 -0.63 0.00 0.00 0.00 175.10 175.10 1ubp s ILE 122 N 0.55 3.43 -0.34 2.22 1.01 -0.40 -4.97 121.20 122.70 1ubp s ILE 122 Ca -0.14 -0.51 -0.25 0.00 0.00 0.00 0.00 60.65 59.74 1ubp s ILE 122 Cb -0.16 -2.49 0.01 0.00 0.01 0.00 0.00 42.46 39.84 1ubp s ILE 122 CO 0.04 0.49 0.89 0.00 0.00 0.00 0.00 174.94 176.37 1ubp s ALA 123 N 0.56 3.46 -1.91 9.38 0.00 -1.26 -1.11 121.76 130.88 1ubp s ALA 123 Ca -0.05 -0.41 0.17 0.00 0.00 0.00 0.00 51.96 51.66 1ubp s ALA 123 Cb -0.15 -3.47 0.22 0.00 0.00 0.00 0.00 23.12 19.73 1ubp s ALA 123 CO 0.03 -1.45 1.13 0.00 0.00 0.00 0.00 175.76 175.46 1ubp n ALA 124 N 6.57 2.42 -1.67 0.00 0.00 0.13 -4.89 120.51 123.07 1ubp n ALA 124 Ca 0.06 -0.79 -0.47 0.00 0.00 0.00 0.00 53.44 52.24 1ubp n ALA 124 Cb 0.48 -0.59 -0.04 0.00 0.00 0.00 0.00 19.45 19.29 1ubp n ALA 124 CO 0.00 0.00 0.00 -0.85 0.00 0.00 0.00 177.50 176.65 1ubp n GLU 125 N 0.97 2.21 -0.73 0.00 0.00 -0.93 -0.68 120.64 121.48 1ubp n GLU 125 Ca 0.12 0.80 0.00 0.00 0.00 0.00 0.00 57.16 58.08 1ubp n GLU 125 Cb 0.45 -2.61 0.00 0.00 0.00 0.00 0.00 31.44 29.28 1ubp n GLU 125 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.13 177.54 1ubp n GLY 126 N 3.87 0.82 3.70 -1.84 0.00 -1.26 -4.78 105.19 105.69 1ubp n GLY 126 Ca 0.19 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.93 1ubp n GLY 126 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1ubp s LYS 127 N -0.27 2.56 -0.20 1.61 -0.14 0.15 -4.40 119.74 119.04 1ubp s LYS 127 Ca 0.00 -0.91 -0.13 0.00 -1.36 0.00 0.00 55.97 53.57 1ubp s LYS 127 Cb 0.00 -2.51 -0.05 0.00 -1.68 0.00 0.00 37.83 33.60 1ubp s LYS 127 CO 0.00 0.51 0.25 0.42 -0.76 0.00 0.00 175.35 175.77 1ubp s ILE 128 N -1.48 5.31 -0.17 2.17 1.01 -0.24 -2.65 121.20 125.16 1ubp s ILE 128 Ca 0.27 0.42 -0.03 0.00 0.00 0.00 0.00 60.65 61.31 1ubp s ILE 128 Cb -0.11 -3.59 -0.02 0.00 0.01 0.00 0.00 42.46 38.75 1ubp s ILE 128 CO 0.19 0.35 -0.07 -0.69 0.00 0.00 0.00 174.94 174.72 1ubp s VAL 129 N 0.84 3.47 0.28 2.92 1.01 0.10 -0.81 120.40 128.21 1ubp s VAL 129 Ca 0.13 -0.49 0.06 0.00 0.00 0.00 0.00 61.98 61.68 1ubp s VAL 129 Cb -0.13 -2.52 -0.06 0.00 0.00 0.00 0.00 36.38 33.67 1ubp s VAL 129 CO 0.04 0.48 -0.04 0.42 0.00 0.00 0.00 175.10 176.00 1ubp s THR 130 N 0.72 1.57 0.76 3.92 -4.23 -0.60 -1.74 115.64 116.04 1ubp s THR 130 Ca -0.03 -2.10 -0.14 0.00 -1.18 0.00 0.00 61.69 58.24 1ubp s THR 130 Cb -0.15 -2.49 0.06 0.00 1.34 0.00 0.00 72.50 71.25 1ubp s THR 130 CO 0.02 -0.26 1.19 0.00 -0.54 0.00 0.00 174.62 175.03 1ubp s ALA 131 N -3.06 2.03 0.42 3.99 0.00 -1.26 -0.60 121.76 123.28 1ubp s ALA 131 Ca 0.30 0.81 -0.25 0.00 0.00 0.00 0.00 51.96 52.82 1ubp s ALA 131 Cb 0.05 -3.46 -0.08 0.00 0.00 0.00 0.00 23.12 19.62 1ubp s ALA 131 CO 0.12 -2.00 1.30 0.20 0.00 0.00 0.00 175.76 175.38 1ubp s GLY 132 N -2.19 2.91 0.45 0.00 0.00 -1.04 -4.61 107.32 102.84 1ubp s GLY 132 Ca 0.73 1.22 -0.23 0.00 0.00 0.00 0.00 44.72 46.43 1ubp s GLY 132 CO 0.48 1.78 1.17 -0.32 0.00 0.00 0.00 173.10 176.21 1ubp s GLY 133 N -0.81 2.79 -0.37 0.20 0.00 0.21 -4.66 107.32 104.68 1ubp s GLY 133 Ca 0.59 0.94 -0.02 0.00 0.00 0.00 0.00 44.72 46.23 1ubp s GLY 133 CO 0.47 1.41 0.13 -0.42 0.00 0.00 0.00 173.10 174.69 1ubp s ILE 134 N -1.52 3.13 -0.41 0.90 -1.09 0.19 -0.78 121.20 121.61 1ubp s ILE 134 Ca 0.63 -1.85 -0.17 0.00 -2.23 0.00 0.00 60.65 57.03 1ubp s ILE 134 Cb -0.29 -3.04 0.02 0.00 -1.58 0.00 0.00 42.46 37.56 1ubp s ILE 134 CO 0.35 -0.49 0.41 -0.62 -1.23 0.00 0.00 174.94 173.36 1ubp s ASP 135 N 1.56 6.18 -0.11 3.58 2.15 -0.18 -4.75 116.67 125.09 1ubp s ASP 135 Ca 0.04 -0.64 0.18 0.00 0.43 0.00 0.00 52.55 52.57 1ubp s ASP 135 Cb -0.21 -2.21 0.72 0.00 -0.30 0.00 0.00 42.92 40.91 1ubp s ASP 135 CO -0.03 -0.53 1.63 0.35 -0.17 0.00 0.00 175.17 176.42 1ubp n THR 136 N 5.37 1.84 -3.23 1.71 -2.24 -1.26 -0.31 114.28 116.15 1ubp n THR 136 Ca -0.08 -1.21 -0.24 0.00 -2.27 0.00 0.00 64.05 60.25 1ubp n THR 136 Cb 0.48 0.13 -0.06 0.00 -2.10 0.00 0.00 70.33 68.77 1ubp n THR 136 CO 0.00 0.00 0.00 1.57 -0.57 0.00 0.00 175.07 176.07 1ubp n HIS 137 N 1.10 1.10 -4.34 4.78 -0.00 -1.15 -4.49 115.22 112.22 1ubp n HIS 137 Ca 0.26 -3.79 -0.34 0.00 -0.00 0.00 0.00 57.72 53.85 1ubp n HIS 137 Cb 0.89 -0.43 -0.12 0.00 -0.00 0.00 0.00 29.99 30.33 1ubp n HIS 137 CO 0.00 0.00 0.00 0.08 -0.00 0.00 0.00 176.34 176.42 1ubp s VAL 138 N -1.95 3.85 -0.32 3.57 1.01 -0.49 -0.73 120.40 125.34 1ubp s VAL 138 Ca 0.38 -0.37 -0.16 0.00 0.00 0.00 0.00 61.98 61.84 1ubp s VAL 138 Cb 0.20 -2.70 -0.02 0.00 0.00 0.00 0.00 36.38 33.86 1ubp s VAL 138 CO -0.08 0.48 0.40 -1.00 0.00 0.00 0.00 175.10 174.90 1ubp s HIS 139 N 0.53 3.22 -0.94 5.22 3.76 -1.21 -1.47 115.29 124.39 1ubp s HIS 139 Ca -0.03 0.19 -0.24 0.00 -0.15 0.00 0.00 55.06 54.83 1ubp s HIS 139 Cb -0.14 -2.69 0.05 0.00 1.11 0.00 0.00 32.58 30.91 1ubp s HIS 139 CO 0.03 -0.38 1.37 -0.06 -0.85 0.00 0.00 174.74 174.85 1ubp s PHE 140 N 2.12 2.52 -0.06 1.40 0.08 0.04 -4.66 117.98 119.42 1ubp s PHE 140 Ca 0.15 -0.70 0.01 0.00 0.12 0.00 0.00 56.93 56.50 1ubp s PHE 140 Cb -0.16 -4.64 -0.04 0.00 -0.57 0.00 0.00 43.02 37.61 1ubp s PHE 140 CO 0.11 -1.93 -0.05 -0.89 -0.10 0.00 0.00 175.22 172.36 1ubp n ILE 141 N 6.65 0.37 -3.60 0.64 5.41 -1.26 -1.11 119.36 126.44 1ubp n ILE 141 Ca 0.25 -0.14 -0.16 0.00 1.00 0.00 0.00 62.75 63.69 1ubp n ILE 141 Cb 0.50 -0.73 -0.14 0.00 -0.71 0.00 0.00 39.64 38.56 1ubp n ILE 141 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 176.55 176.76 1ubp s ASN 142 N -4.58 0.85 0.66 4.38 3.84 -1.26 -2.85 114.94 115.97 1ubp s ASN 142 Ca -0.08 0.21 0.35 0.00 0.21 0.00 0.00 52.86 53.55 1ubp s ASN 142 Cb 0.02 0.45 1.92 0.00 -0.55 0.00 0.00 41.25 43.09 1ubp s ASN 142 CO 0.15 -0.27 2.10 -0.65 -2.79 0.00 0.00 177.10 175.64 1ubp h PRO 143 N 8.32 0.00 0.00 0.43 0.11 -1.98 0.12 132.00 139.00 1ubp h PRO 143 Ca -0.15 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.96 1ubp h PRO 143 Cb 1.13 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.24 1ubp h PRO 143 CO 0.19 0.00 0.00 -0.25 -0.21 0.00 0.00 178.00 177.73 1ubp n ASP 144 N -3.09 0.15 0.25 -2.05 8.00 -1.26 -2.30 116.55 116.25 1ubp n ASP 144 Ca -0.02 0.55 0.13 0.00 0.71 0.00 0.00 54.79 56.16 1ubp n ASP 144 Cb 0.27 -0.58 0.66 0.00 -0.02 0.00 0.00 41.12 41.46 1ubp n ASP 144 CO 0.00 0.00 0.00 0.06 -0.39 0.00 0.00 177.20 176.87 1ubp h GLN 145 N 0.00 0.00 -0.33 -1.24 3.07 -1.19 -3.25 115.11 112.17 1ubp h GLN 145 Ca 0.00 0.00 -0.07 0.00 0.09 0.00 0.00 58.65 58.67 1ubp h GLN 145 Cb 0.18 0.00 -0.01 0.00 0.08 0.00 0.00 27.48 27.73 1ubp h GLN 145 CO 0.00 0.14 -0.09 0.28 0.09 0.00 0.00 178.83 179.26 1ubp h VAL 146 N 0.00 1.28 -0.25 1.86 2.07 -1.68 -2.45 116.25 117.09 1ubp h VAL 146 Ca -0.00 -1.14 -0.10 0.00 0.82 0.00 0.00 66.70 66.28 1ubp h VAL 146 Cb 0.47 1.35 -0.01 0.00 -1.52 0.00 0.00 31.29 31.57 1ubp h VAL 146 CO 0.02 0.37 -0.27 0.44 0.02 0.00 0.00 177.57 178.14 1ubp h ASP 147 N 0.41 0.49 -0.47 0.57 3.32 -1.79 -0.68 116.42 118.28 1ubp h ASP 147 Ca 0.08 -0.17 0.07 0.00 0.02 0.00 0.00 57.03 57.03 1ubp h ASP 147 Cb 0.58 -0.13 -0.06 0.00 0.22 0.00 0.00 39.33 39.94 1ubp h ASP 147 CO 0.03 0.75 0.13 0.58 -1.72 0.00 0.00 179.24 179.02 1ubp h VAL 148 N 0.43 0.80 0.02 -1.35 2.07 -1.60 -0.60 116.25 116.01 1ubp h VAL 148 Ca 0.06 -0.10 -0.00 0.00 0.82 0.00 0.00 66.70 67.48 1ubp h VAL 148 Cb 0.70 0.48 0.00 0.00 -1.52 0.00 0.00 31.29 30.95 1ubp h VAL 148 CO 0.05 0.05 -0.01 0.00 0.02 0.00 0.00 177.57 177.68 1ubp h ALA 149 N 1.34 -0.03 -0.92 1.67 0.00 -0.91 -3.13 119.26 117.28 1ubp h ALA 149 Ca 0.23 -0.13 0.10 0.00 0.00 0.00 0.00 54.91 55.10 1ubp h ALA 149 Cb 0.27 0.01 -0.08 0.00 0.00 0.00 0.00 17.79 17.99 1ubp h ALA 149 CO -0.26 -0.39 0.56 -0.07 0.00 0.00 0.00 179.25 179.09 1ubp h LEU 150 N -0.29 0.84 -1.95 0.00 3.38 -0.97 -1.76 115.31 114.56 1ubp h LEU 150 Ca -0.00 0.04 -0.02 0.00 0.09 0.00 0.00 57.88 57.98 1ubp h LEU 150 Cb 0.28 -0.13 -0.00 0.00 0.09 0.00 0.00 40.66 40.90 1ubp h LEU 150 CO 0.01 0.48 -0.11 0.00 0.09 0.00 0.00 178.44 178.90 1ubp h ALA 151 N 1.48 1.46 -0.62 1.53 0.00 -1.05 -1.73 119.26 120.33 1ubp h ALA 151 Ca 0.44 -0.10 -0.20 0.00 0.00 0.00 0.00 54.91 55.05 1ubp h ALA 151 Cb 0.37 -0.02 -0.12 0.00 0.00 0.00 0.00 17.79 18.03 1ubp h ALA 151 CO -0.24 0.14 0.20 -1.71 0.00 0.00 0.00 179.25 177.64 1ubp n ASN 152 N -3.89 4.24 -0.22 0.00 4.05 -0.78 -1.91 115.26 116.74 1ubp n ASN 152 Ca -0.02 -3.31 -0.02 0.00 0.45 0.00 0.00 54.58 51.68 1ubp n ASN 152 Cb 0.21 -0.70 -0.00 0.00 1.23 0.00 0.00 39.78 40.51 1ubp n ASN 152 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 177.26 174.82 1ubp n GLY 153 N -0.45 0.35 3.74 8.20 0.00 -0.65 -4.63 105.19 111.76 1ubp n GLY 153 Ca 0.38 -0.85 -0.37 0.00 0.00 0.00 0.00 46.02 45.18 1ubp n GLY 153 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1ubp s ILE 154 N -2.10 5.25 0.00 -0.61 1.01 -0.73 -0.62 121.20 123.39 1ubp s ILE 154 Ca 0.00 0.70 0.00 0.00 0.00 0.00 0.00 60.65 61.35 1ubp s ILE 154 Cb 0.00 -3.70 0.00 0.00 0.01 0.00 0.00 42.46 38.77 1ubp s ILE 154 CO 0.00 0.39 0.14 0.35 0.00 0.00 0.00 174.94 175.81 1ubp n THR 155 N 3.43 0.00 -4.06 2.92 -2.24 0.04 -3.89 114.28 110.47 1ubp n THR 155 Ca -0.11 -0.44 -0.20 0.00 -2.27 0.00 0.00 64.05 61.03 1ubp n THR 155 Cb 0.52 1.04 -0.17 0.00 -2.10 0.00 0.00 70.33 69.62 1ubp n THR 155 CO 0.00 0.00 0.00 -0.89 -0.57 0.00 0.00 175.07 173.61 1ubp s THR 156 N -0.61 0.48 -0.27 4.28 2.01 -0.90 -1.28 115.64 119.34 1ubp s THR 156 Ca 0.00 -0.06 -0.02 0.00 0.31 0.00 0.00 61.69 61.92 1ubp s THR 156 Cb 0.00 -0.54 0.04 0.00 0.01 0.00 0.00 72.50 72.01 1ubp s THR 156 CO 0.00 0.23 -0.03 -0.76 -0.69 0.00 0.00 174.62 173.37 1ubp s LEU 157 N 1.14 3.53 -0.11 4.42 1.43 0.02 -1.02 118.68 128.09 1ubp s LEU 157 Ca -0.08 -1.06 -0.01 0.00 -1.03 0.00 0.00 54.13 51.96 1ubp s LEU 157 Cb -0.14 -1.69 -0.02 0.00 0.03 0.00 0.00 46.19 44.37 1ubp s LEU 157 CO -0.01 -0.19 -0.08 -0.36 0.23 0.00 0.00 176.35 175.93 1ubp s PHE 158 N 1.29 2.91 0.00 0.29 0.40 0.57 -1.82 117.98 121.62 1ubp s PHE 158 Ca -0.02 -0.29 0.00 0.00 -0.60 0.00 0.00 56.93 56.02 1ubp s PHE 158 Cb -0.18 -1.82 0.00 0.00 0.51 0.00 0.00 43.02 41.53 1ubp s PHE 158 CO -0.03 0.05 0.00 0.41 0.70 0.00 0.00 175.22 176.35 1ubp n GLY 159 N 3.02 -0.67 3.75 4.36 0.00 -0.84 -1.40 105.19 113.41 1ubp n GLY 159 Ca -0.18 -0.26 -0.03 0.00 0.00 0.00 0.00 46.02 45.55 1ubp n GLY 159 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1ubp s GLY 160 N 0.00 -0.24 0.00 -0.02 0.00 -0.54 0.04 107.32 106.56 1ubp s GLY 160 Ca 0.00 0.15 0.00 0.00 0.00 0.00 0.00 44.72 44.87 1ubp s GLY 160 CO 0.00 0.05 0.00 0.61 0.00 0.00 0.00 173.10 173.76 1ubp n GLY 161 N -0.48 4.41 0.35 0.20 0.00 -1.00 -0.78 105.19 107.89 1ubp n GLY 161 Ca -0.06 -1.44 0.04 0.00 0.00 0.00 0.00 46.02 44.56 1ubp n GLY 161 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1ubp n THR 162 N -1.97 1.26 0.00 2.61 -2.24 -1.22 -4.69 114.28 108.03 1ubp n THR 162 Ca 0.00 -1.25 0.00 0.00 -2.27 0.00 0.00 64.05 60.53 1ubp n THR 162 Cb 0.00 0.32 0.00 0.00 -2.10 0.00 0.00 70.33 68.55 1ubp n THR 162 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1ubp n GLY 163 N -0.24 -0.46 1.84 3.38 0.00 -0.27 -4.80 105.19 104.64 1ubp n GLY 163 Ca 0.09 -2.19 -0.10 0.00 0.00 0.00 0.00 46.02 43.82 1ubp n GLY 163 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1ubp n PRO 164 N 0.00 1.61 -2.96 1.61 -0.04 -1.13 -4.46 135.00 129.63 1ubp n PRO 164 Ca 0.00 -0.87 -0.35 0.00 -0.04 0.00 0.00 63.50 62.24 1ubp n PRO 164 Cb 0.00 -1.54 -0.06 0.00 -0.04 0.00 0.00 33.50 31.85 1ubp n PRO 164 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1ubp s ALA 165 N -0.27 3.25 0.38 0.55 0.00 -1.26 -4.92 121.76 119.49 1ubp s ALA 165 Ca 0.32 0.29 0.06 0.00 0.00 0.00 0.00 51.96 52.64 1ubp s ALA 165 Cb 0.19 -2.98 0.77 0.00 0.00 0.00 0.00 23.12 21.10 1ubp s ALA 165 CO -0.03 0.24 1.98 0.93 0.00 0.00 0.00 175.76 178.89 1ubp h GLU 166 N 2.75 0.68 -0.30 0.00 3.07 -1.98 0.42 114.58 119.22 1ubp h GLU 166 Ca -0.48 -0.04 0.04 0.00 -0.50 0.00 0.00 59.36 58.38 1ubp h GLU 166 Cb 1.19 -0.15 -0.04 0.00 -0.84 0.00 0.00 28.75 28.91 1ubp h GLU 166 CO 0.64 0.45 0.08 0.78 -1.40 0.00 0.00 179.01 179.56 1ubp h GLY 167 N 0.70 0.35 1.74 -3.84 0.00 -1.94 -1.78 103.07 98.30 1ubp h GLY 167 Ca 0.27 -0.04 -0.16 0.00 0.00 0.00 0.00 47.33 47.41 1ubp h GLY 167 CO -0.08 0.01 -0.64 1.76 0.00 0.00 0.00 176.54 177.58 1ubp h SER 168 N 0.20 0.30 0.58 0.19 0.02 -1.55 -0.70 113.55 112.59 1ubp h SER 168 Ca 0.13 -0.18 -0.03 0.00 -0.84 0.00 0.00 61.79 60.87 1ubp h SER 168 Cb 0.12 -0.09 -0.00 0.00 0.14 0.00 0.00 62.40 62.57 1ubp h SER 168 CO -0.16 0.86 -0.14 0.11 -1.14 0.00 0.00 176.83 176.37 1ubp h LYS 169 N 0.19 0.00 0.00 3.45 1.57 -0.68 -3.18 116.57 117.92 1ubp h LYS 169 Ca -0.01 0.00 -0.37 0.00 -1.87 0.00 0.00 60.65 58.40 1ubp h LYS 169 Cb 1.17 0.00 -0.07 0.00 0.08 0.00 0.00 32.23 33.41 1ubp h LYS 169 CO 0.10 0.14 -2.37 0.00 -0.57 0.00 0.00 179.45 176.75 1ubp n ALA 170 N -2.23 1.50 -2.87 3.86 0.00 -0.69 -4.51 120.51 115.56 1ubp n ALA 170 Ca -0.01 -1.31 -0.12 0.00 0.00 0.00 0.00 53.44 52.00 1ubp n ALA 170 Cb 0.30 -0.20 -0.14 0.00 0.00 0.00 0.00 19.45 19.41 1ubp n ALA 170 CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 177.50 178.45 1ubp s THR 171 N -2.50 0.03 -1.15 0.00 -4.23 -0.28 -5.01 115.64 102.50 1ubp s THR 171 Ca -0.11 -0.01 -0.16 0.00 -1.18 0.00 0.00 61.69 60.22 1ubp s THR 171 Cb 0.06 -0.03 -0.06 0.00 1.34 0.00 0.00 72.50 73.81 1ubp s THR 171 CO 0.82 0.01 2.15 0.35 -0.54 0.00 0.00 174.62 177.41 1ubp n THR 172 N 3.08 2.77 -3.89 3.99 -2.24 -1.26 -4.22 114.28 112.52 1ubp n THR 172 Ca -0.12 -2.28 -0.17 0.00 -2.27 0.00 0.00 64.05 59.21 1ubp n THR 172 Cb 0.60 -2.46 -0.16 0.00 -2.10 0.00 0.00 70.33 66.21 1ubp n THR 172 CO 0.00 0.00 0.00 -0.69 -0.57 0.00 0.00 175.07 173.81 1ubp s VAL 173 N 3.87 0.14 -0.42 2.28 1.01 -1.25 -3.80 120.40 122.23 1ubp s VAL 173 Ca 0.52 0.12 -0.02 0.00 0.00 0.00 0.00 61.98 62.61 1ubp s VAL 173 Cb 0.14 -0.26 0.11 0.00 0.00 0.00 0.00 36.38 36.38 1ubp s VAL 173 CO 0.00 0.15 0.20 -0.89 0.00 0.00 0.00 175.10 174.56 1ubp s THR 174 N 1.14 3.15 0.01 3.92 2.01 -0.04 -2.37 115.64 123.46 1ubp s THR 174 Ca -0.08 -2.22 -0.30 0.00 0.31 0.00 0.00 61.69 59.40 1ubp s THR 174 Cb -0.13 -3.17 -0.03 0.00 0.01 0.00 0.00 72.50 69.17 1ubp s THR 174 CO -0.02 -0.70 1.00 -2.16 -0.69 0.00 0.00 174.62 172.05 1ubp s PRO 175 N 0.96 4.56 0.10 4.92 0.04 -1.26 -4.10 135.00 140.22 1ubp s PRO 175 Ca 0.10 1.45 0.00 0.00 0.04 0.00 0.00 61.00 62.59 1ubp s PRO 175 Cb -0.22 -3.45 0.00 0.00 0.04 0.00 0.00 34.50 30.87 1ubp s PRO 175 CO -0.05 -0.05 0.00 0.41 0.04 0.00 0.00 177.00 177.35 1ubp n GLY 176 N 2.88 -2.64 0.32 0.56 0.00 -1.26 -3.87 105.19 101.18 1ubp n GLY 176 Ca 0.06 -1.39 0.04 0.00 0.00 0.00 0.00 46.02 44.73 1ubp n GLY 176 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 1ubp h PRO 177 N -0.24 0.79 -0.07 1.61 0.11 -1.91 -1.69 132.00 130.60 1ubp h PRO 177 Ca -0.03 -0.05 -0.05 0.00 0.11 0.00 0.00 66.00 65.98 1ubp h PRO 177 Cb 0.23 -0.18 0.00 0.00 0.11 0.00 0.00 31.00 31.16 1ubp h PRO 177 CO 0.01 0.52 -0.15 2.35 -0.21 0.00 0.00 178.00 180.53 1ubp h TRP 178 N 0.81 0.29 -0.74 0.65 7.01 -1.98 -1.15 115.95 120.84 1ubp h TRP 178 Ca 0.42 -0.10 -0.03 0.00 2.11 0.00 0.00 58.89 61.28 1ubp h TRP 178 Cb 0.40 -0.05 -0.03 0.00 -2.10 0.00 0.00 29.16 27.37 1ubp h TRP 178 CO -0.05 0.75 0.35 -0.91 -2.79 0.00 0.00 178.44 175.78 1ubp h ASN 179 N -0.25 0.97 -0.02 2.65 2.35 -1.65 -0.67 115.58 118.97 1ubp h ASN 179 Ca 0.00 -0.14 0.02 0.00 -0.55 0.00 0.00 56.30 55.63 1ubp h ASN 179 Cb 0.73 -0.25 -0.02 0.00 0.05 0.00 0.00 38.32 38.83 1ubp h ASN 179 CO 0.03 0.84 -0.08 0.40 -1.65 0.00 0.00 177.43 176.97 1ubp h ILE 180 N 1.04 0.78 -0.60 2.81 2.04 -1.27 -0.51 117.51 121.80 1ubp h ILE 180 Ca 0.25 0.00 0.06 0.00 1.00 0.00 0.00 64.86 66.18 1ubp h ILE 180 Cb 0.13 0.78 -0.06 0.00 -0.74 0.00 0.00 36.82 36.93 1ubp h ILE 180 CO -0.03 0.00 0.30 -0.33 0.00 0.00 0.00 178.15 178.09 1ubp h GLU 181 N -0.14 0.54 -0.51 2.37 5.08 -0.82 0.42 114.58 121.53 1ubp h GLU 181 Ca 0.04 -0.03 -0.01 0.00 -1.00 0.00 0.00 59.36 58.36 1ubp h GLU 181 Cb 0.19 -0.12 -0.02 0.00 0.50 0.00 0.00 28.75 29.29 1ubp h GLU 181 CO -0.10 0.36 0.28 0.87 -1.00 0.00 0.00 179.01 179.42 1ubp h LYS 182 N 0.56 0.71 0.00 2.33 1.79 -0.85 -1.82 116.57 119.28 1ubp h LYS 182 Ca 0.28 -0.08 -0.09 0.00 -2.18 0.00 0.00 60.65 58.58 1ubp h LYS 182 Cb 0.22 -0.14 -0.01 0.00 -1.58 0.00 0.00 32.23 30.72 1ubp h LYS 182 CO -0.20 0.55 -0.42 0.52 -1.08 0.00 0.00 179.45 178.82 1ubp h MET 183 N 0.67 0.00 -0.55 3.15 2.86 -0.71 -0.50 114.93 119.85 1ubp h MET 183 Ca 0.18 0.00 -0.08 0.00 -2.06 0.00 0.00 59.70 57.74 1ubp h MET 183 Cb 0.05 0.00 -0.02 0.00 0.06 0.00 0.00 31.60 31.69 1ubp h MET 183 CO -0.03 0.42 0.02 -0.07 1.06 0.00 0.00 176.91 178.31 1ubp h LEU 184 N 0.00 0.90 -0.73 1.22 3.38 -0.54 -1.07 115.31 118.48 1ubp h LEU 184 Ca -0.00 -0.23 -0.11 0.00 0.09 0.00 0.00 57.88 57.62 1ubp h LEU 184 Cb 1.00 -0.24 -0.01 0.00 0.09 0.00 0.00 40.66 41.50 1ubp h LEU 184 CO 0.05 0.95 -0.22 0.11 0.09 0.00 0.00 178.44 179.43 1ubp h LYS 185 N 0.87 0.74 -0.44 1.13 1.57 -0.91 -2.99 116.57 116.53 1ubp h LYS 185 Ca 0.16 -0.29 -0.07 0.00 -1.87 0.00 0.00 60.65 58.58 1ubp h LYS 185 Cb 0.49 -0.04 -0.02 0.00 0.08 0.00 0.00 32.23 32.74 1ubp h LYS 185 CO 0.02 0.89 -0.02 1.03 -0.57 0.00 0.00 179.45 180.80 1ubp h SER 186 N 0.65 0.71 -0.05 0.86 0.87 -0.73 -2.89 113.55 112.96 1ubp h SER 186 Ca 0.09 -0.17 0.01 0.00 -1.23 0.00 0.00 61.79 60.49 1ubp h SER 186 Cb 0.71 -0.19 -0.00 0.00 -0.44 0.00 0.00 62.40 62.48 1ubp h SER 186 CO 0.05 0.79 0.05 0.74 -0.53 0.00 0.00 176.83 177.93 1ubp h THR 187 N 0.69 0.65 -0.55 2.23 2.02 -1.05 -1.28 112.91 115.62 1ubp h THR 187 Ca 0.13 0.00 0.16 0.00 0.77 0.00 0.00 66.41 67.47 1ubp h THR 187 Cb 0.46 0.96 -0.02 0.00 -1.74 0.00 0.00 68.15 67.81 1ubp h THR 187 CO 0.02 0.00 0.47 -0.33 0.37 0.00 0.00 175.52 176.05 1ubp h GLU 188 N 0.00 0.00 -0.40 6.66 4.39 -1.51 -1.48 114.58 122.24 1ubp h GLU 188 Ca 0.02 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.72 1ubp h GLU 188 Cb 0.12 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.77 1ubp h GLU 188 CO -0.00 0.00 0.00 0.41 -1.16 0.00 0.00 179.01 178.26 1ubp n GLY 189 N -1.58 1.84 3.63 -3.84 0.00 -0.48 -4.76 105.19 99.99 1ubp n GLY 189 Ca 0.10 -0.63 -0.37 0.00 0.00 0.00 0.00 46.02 45.12 1ubp n GLY 189 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1ubp s LEU 190 N -1.24 4.08 -1.51 0.99 1.43 -0.56 -5.00 118.68 116.87 1ubp s LEU 190 Ca 0.34 0.10 -0.10 0.00 -1.03 0.00 0.00 54.13 53.44 1ubp s LEU 190 Cb 0.20 -2.15 -0.00 0.00 0.03 0.00 0.00 46.19 44.26 1ubp s LEU 190 CO 0.27 0.00 2.60 -0.81 0.23 0.00 0.00 176.35 178.63 1ubp n PRO 191 N 4.64 3.61 -3.57 1.29 -0.04 -1.26 -4.79 135.00 134.89 1ubp n PRO 191 Ca -0.14 -2.61 -0.11 0.00 -0.04 0.00 0.00 63.50 60.60 1ubp n PRO 191 Cb 0.52 -2.91 -0.05 0.00 -0.04 0.00 0.00 33.50 31.02 1ubp n PRO 191 CO 0.00 0.00 0.00 -1.50 -0.04 0.00 0.00 175.50 173.96 1ubp s ILE 192 N 1.78 0.00 0.47 0.52 2.07 -1.26 -5.05 121.20 119.73 1ubp s ILE 192 Ca 0.59 0.00 -0.23 0.00 -1.41 0.00 0.00 60.65 59.60 1ubp s ILE 192 Cb 0.16 -1.00 -0.07 0.00 0.13 0.00 0.00 42.46 41.68 1ubp s ILE 192 CO -0.07 0.00 1.20 0.20 -1.91 0.00 0.00 174.94 174.37 1ubp s ASN 193 N -1.23 6.02 0.01 4.50 0.01 -0.40 -4.64 114.94 119.19 1ubp s ASN 193 Ca -0.02 2.40 0.00 0.00 -0.71 0.00 0.00 52.86 54.53 1ubp s ASN 193 Cb -0.00 -2.61 -0.01 0.00 0.41 0.00 0.00 41.25 39.04 1ubp s ASN 193 CO 0.01 -1.03 -0.02 -0.69 -1.51 0.00 0.00 177.10 173.87 1ubp s VAL 194 N -1.49 0.11 -0.02 1.60 1.01 -0.60 -0.80 120.40 120.21 1ubp s VAL 194 Ca 0.65 -0.32 0.03 0.00 0.00 0.00 0.00 61.98 62.33 1ubp s VAL 194 Cb -0.31 -0.15 -0.00 0.00 0.00 0.00 0.00 36.38 35.92 1ubp s VAL 194 CO 0.37 -0.13 -0.10 -0.83 0.00 0.00 0.00 175.10 174.41 1ubp s GLY 195 N -0.48 0.54 -0.13 4.51 0.00 -0.76 -0.70 107.32 110.30 1ubp s GLY 195 Ca -0.04 -0.39 -0.02 0.00 0.00 0.00 0.00 44.72 44.27 1ubp s GLY 195 CO -0.00 -0.20 -0.08 -0.42 0.00 0.00 0.00 173.10 172.39 1ubp s ILE 196 N 0.03 3.48 -0.13 0.90 1.01 -1.26 -1.99 121.20 123.25 1ubp s ILE 196 Ca -0.01 -0.51 -0.11 0.00 0.00 0.00 0.00 60.65 60.02 1ubp s ILE 196 Cb -0.07 -2.49 -0.05 0.00 0.01 0.00 0.00 42.46 39.86 1ubp s ILE 196 CO 0.00 0.52 0.24 -0.76 0.00 0.00 0.00 174.94 174.94 1ubp s LEU 197 N 0.24 4.32 0.69 2.97 1.43 0.11 -0.04 118.68 128.40 1ubp s LEU 197 Ca -0.06 0.53 -0.03 0.00 -1.03 0.00 0.00 54.13 53.54 1ubp s LEU 197 Cb -0.15 -2.27 0.09 0.00 0.03 0.00 0.00 46.19 43.89 1ubp s LEU 197 CO 0.04 0.25 0.97 -0.83 0.23 0.00 0.00 176.35 177.01 1ubp s GLY 198 N -0.28 1.76 -0.19 -3.19 0.00 -0.52 -0.86 107.32 104.05 1ubp s GLY 198 Ca 0.16 -1.38 -0.29 0.00 0.00 0.00 0.00 44.72 43.21 1ubp s GLY 198 CO 0.05 -0.90 1.35 1.25 0.00 0.00 0.00 173.10 174.84 1ubp s LYS 199 N -5.14 4.12 -0.33 2.90 2.20 -1.26 -4.51 119.74 117.71 1ubp s LYS 199 Ca 0.63 1.64 -0.04 0.00 -0.36 0.00 0.00 55.97 57.84 1ubp s LYS 199 Cb -0.08 -3.84 -0.02 0.00 -1.51 0.00 0.00 37.83 32.38 1ubp s LYS 199 CO 0.44 -0.87 2.96 0.41 -0.36 0.00 0.00 175.35 177.93 1ubp n GLY 200 N 3.92 3.99 2.87 5.54 0.00 -1.26 -4.86 105.19 115.39 1ubp n GLY 200 Ca 0.15 -1.68 -0.15 0.00 0.00 0.00 0.00 46.02 44.34 1ubp n GLY 200 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 1ubp s HIS 201 N -1.02 0.27 0.00 1.61 4.02 -1.26 -4.46 115.29 114.44 1ubp s HIS 201 Ca 0.60 -0.02 0.00 0.00 1.02 0.00 0.00 55.06 56.66 1ubp s HIS 201 Cb 0.36 -0.27 0.00 0.00 -1.02 0.00 0.00 32.58 31.65 1ubp s HIS 201 CO -0.16 -0.06 0.00 0.41 1.02 0.00 0.00 174.74 175.95 1ubp n GLY 202 N 3.57 2.45 0.00 -2.22 0.00 -1.26 -4.72 105.19 103.01 1ubp n GLY 202 Ca -0.20 -1.33 0.00 0.00 0.00 0.00 0.00 46.02 44.49 1ubp n GLY 202 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1ubp n SER 203 N 0.00 0.68 -4.50 1.61 3.41 -1.26 -3.74 113.62 109.82 1ubp n SER 203 Ca 0.00 -0.87 -0.30 0.00 -0.26 0.00 0.00 58.87 57.44 1ubp n SER 203 Cb 0.00 0.21 -0.11 0.00 -0.26 0.00 0.00 64.21 64.05 1ubp n SER 203 CO 0.00 0.00 0.00 -0.44 -0.16 0.00 0.00 175.04 174.44 1ubp s SER 204 N -0.21 3.98 0.12 4.04 0.01 -1.26 -5.04 113.70 115.33 1ubp s SER 204 Ca 0.00 -0.47 -0.14 0.00 1.31 0.00 0.00 55.95 56.65 1ubp s SER 204 Cb 0.00 -0.64 -0.05 0.00 0.21 0.00 0.00 66.02 65.54 1ubp s SER 204 CO 0.00 0.21 1.50 0.40 0.41 0.00 0.00 173.24 175.75 1ubp h ILE 205 N 3.64 1.28 -0.41 1.44 1.08 -1.94 -3.37 117.51 119.23 1ubp h ILE 205 Ca -0.49 -1.27 0.06 0.00 -0.39 0.00 0.00 64.86 62.77 1ubp h ILE 205 Cb 1.16 1.34 -0.05 0.00 -3.07 0.00 0.00 36.82 36.20 1ubp h ILE 205 CO 0.48 0.42 0.09 0.00 -0.69 0.00 0.00 178.15 178.44 1ubp h ALA 206 N 0.80 0.44 -0.35 1.87 0.00 -1.98 -0.14 119.26 119.91 1ubp h ALA 206 Ca 0.08 0.08 0.01 0.00 0.00 0.00 0.00 54.91 55.08 1ubp h ALA 206 Cb 0.69 0.10 -0.02 0.00 0.00 0.00 0.00 17.79 18.57 1ubp h ALA 206 CO 0.05 -0.32 0.23 -1.35 0.00 0.00 0.00 179.25 177.86 1ubp h PRO 207 N 0.22 0.44 0.00 0.00 0.11 -1.97 -0.15 132.00 130.65 1ubp h PRO 207 Ca 0.20 -0.03 -0.00 0.00 0.11 0.00 0.00 66.00 66.28 1ubp h PRO 207 Cb 0.23 -0.10 0.00 0.00 0.11 0.00 0.00 31.00 31.24 1ubp h PRO 207 CO -0.25 0.29 -0.00 0.82 -0.21 0.00 0.00 178.00 178.65 1ubp h ILE 208 N 0.46 1.46 -0.52 4.15 2.04 -1.45 -3.36 117.51 120.29 1ubp h ILE 208 Ca 0.13 -2.05 0.03 0.00 1.00 0.00 0.00 64.86 63.97 1ubp h ILE 208 Cb -0.04 2.73 -0.03 0.00 -0.74 0.00 0.00 36.82 38.75 1ubp h ILE 208 CO -0.03 0.49 0.34 -0.03 0.00 0.00 0.00 178.15 178.92 1ubp h MET 209 N -0.98 0.57 0.00 2.37 4.05 -0.87 -2.30 114.93 117.78 1ubp h MET 209 Ca -0.00 -0.03 -0.01 0.00 -0.28 0.00 0.00 59.70 59.37 1ubp h MET 209 Cb 0.80 -0.13 -0.00 0.00 -0.80 0.00 0.00 31.60 31.47 1ubp h MET 209 CO 0.00 0.38 -0.05 1.05 0.23 0.00 0.00 176.91 178.52 1ubp h GLU 210 N 0.59 0.00 -0.30 0.39 4.11 -1.18 -0.79 114.58 117.41 1ubp h GLU 210 Ca 0.21 0.00 -0.10 0.00 0.07 0.00 0.00 59.36 59.54 1ubp h GLU 210 Cb 0.10 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.34 1ubp h GLU 210 CO -0.05 0.05 -0.19 1.96 0.07 0.00 0.00 179.01 180.84 1ubp h GLN 211 N 0.00 0.66 -0.26 1.06 4.20 -1.59 -1.63 115.11 117.55 1ubp h GLN 211 Ca -0.00 -0.31 -0.00 0.00 0.06 0.00 0.00 58.65 58.40 1ubp h GLN 211 Cb 0.23 -0.01 -0.01 0.00 0.30 0.00 0.00 27.48 27.99 1ubp h GLN 211 CO 0.01 0.90 0.15 0.82 -0.67 0.00 0.00 178.83 180.04 1ubp h ILE 212 N 0.41 1.11 0.00 2.54 1.08 -1.25 -1.92 117.51 119.48 1ubp h ILE 212 Ca 0.06 -0.29 -0.03 0.00 -0.39 0.00 0.00 64.86 64.22 1ubp h ILE 212 Cb 0.73 0.83 -0.00 0.00 -3.07 0.00 0.00 36.82 35.31 1ubp h ILE 212 CO 0.05 0.11 -0.12 0.44 -0.69 0.00 0.00 178.15 177.94 1ubp h ASP 213 N 0.31 0.00 1.32 1.72 3.32 -1.30 -2.24 116.42 119.55 1ubp h ASP 213 Ca 0.09 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.14 1ubp h ASP 213 Cb 0.05 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.60 1ubp h ASP 213 CO -0.02 0.12 0.00 0.00 -1.72 0.00 0.00 179.24 177.63 1ubp h ALA 214 N 1.88 1.00 0.00 3.45 0.00 -0.95 -3.36 119.26 121.28 1ubp h ALA 214 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 1ubp h ALA 214 Cb 0.34 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.13 1ubp h ALA 214 CO 0.02 0.00 0.00 0.41 0.00 0.00 0.00 179.25 179.68 1ubp n GLY 215 N 0.88 0.25 3.74 0.00 0.00 -0.84 -4.66 105.19 104.56 1ubp n GLY 215 Ca 0.04 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.71 1ubp n GLY 215 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1ubp s ALA 216 N -0.94 2.33 -1.62 4.61 0.00 -0.75 -4.30 121.76 121.08 1ubp s ALA 216 Ca 0.00 0.98 0.15 0.00 0.00 0.00 0.00 51.96 53.08 1ubp s ALA 216 Cb 0.00 -3.47 0.25 0.00 0.00 0.00 0.00 23.12 19.89 1ubp s ALA 216 CO 0.00 -1.55 1.14 0.00 0.00 0.00 0.00 175.76 175.34 1ubp n ALA 217 N -2.16 2.37 0.00 0.00 0.00 0.94 -2.61 120.51 119.05 1ubp n ALA 217 Ca 0.14 -0.87 0.00 0.00 0.00 0.00 0.00 53.44 52.71 1ubp n ALA 217 Cb 0.50 -0.55 0.00 0.00 0.00 0.00 0.00 19.45 19.40 1ubp n ALA 217 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1ubp n GLY 218 N 0.86 -1.42 0.00 0.00 0.00 -1.23 -4.25 105.19 99.15 1ubp n GLY 218 Ca 0.12 -1.00 0.00 0.00 0.00 0.00 0.00 46.02 45.14 1ubp n GLY 218 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1ubp n LEU 219 N 0.00 0.00 -3.53 0.99 4.77 -0.30 -1.44 117.00 117.49 1ubp n LEU 219 Ca 0.00 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 55.98 1ubp n LEU 219 Cb 0.00 0.00 -0.03 0.00 -2.33 0.00 0.00 43.42 41.06 1ubp n LEU 219 CO 0.00 0.00 0.29 -0.63 -1.33 0.00 0.00 177.39 175.72 1ubp s ILE 221 N 1.17 -0.93 -0.02 -0.08 1.01 0.13 -1.22 121.20 121.25 1ubp s ILE 221 Ca 0.00 0.00 0.04 0.00 0.00 0.00 0.00 60.65 60.69 1ubp s ILE 221 Cb 0.00 -1.00 -0.01 0.00 0.01 0.00 0.00 42.46 41.46 1ubp s ILE 221 CO 0.00 0.00 -0.16 -2.28 0.00 0.00 0.00 174.94 172.50 1ubp s HIS 222 N 2.85 1.47 0.54 3.97 2.46 -1.26 -0.61 115.29 124.71 1ubp s HIS 222 Ca -0.01 -0.34 0.24 0.00 0.47 0.00 0.00 55.06 55.42 1ubp s HIS 222 Cb -0.12 -0.97 1.42 0.00 -0.13 0.00 0.00 32.58 32.78 1ubp s HIS 222 CO -0.19 -0.08 2.04 1.05 -2.47 0.00 0.00 174.74 175.09 1ubp h GLU 223 N 5.99 0.00 0.00 2.88 4.11 -1.44 -0.38 114.58 125.75 1ubp h GLU 223 Ca -0.34 0.00 -0.01 0.00 0.07 0.00 0.00 59.36 59.08 1ubp h GLU 223 Cb 1.16 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 30.41 1ubp h GLU 223 CO 0.48 0.00 -0.05 -0.44 0.07 0.00 0.00 179.01 179.07 1ubp h ASP 224 N 0.00 0.00 -0.19 3.06 5.19 -1.94 -1.20 116.42 121.34 1ubp h ASP 224 Ca 0.17 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.58 1ubp h ASP 224 Cb 0.73 0.00 0.00 0.00 0.18 0.00 0.00 39.33 40.24 1ubp h ASP 224 CO -0.00 0.05 0.00 0.79 -3.12 0.00 0.00 179.24 176.96 1ubp n TRP 225 N -3.26 0.23 -0.17 4.55 7.02 -0.17 -5.01 117.44 120.62 1ubp n TRP 225 Ca -0.01 -0.12 0.00 0.00 -1.02 0.00 0.00 57.50 56.35 1ubp n TRP 225 Cb 0.24 -0.00 0.00 0.00 -2.42 0.00 0.00 31.31 29.13 1ubp n TRP 225 CO 0.00 0.00 0.00 0.41 -2.02 0.00 0.00 177.69 176.08 1ubp n GLY 226 N 1.35 -0.03 2.37 6.99 0.00 -0.45 -4.95 105.19 110.45 1ubp n GLY 226 Ca 0.16 -0.64 -0.35 0.00 0.00 0.00 0.00 46.02 45.18 1ubp n GLY 226 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1ubp n ALA 227 N -0.03 7.03 -2.01 4.61 0.00 -1.24 -4.72 120.51 124.15 1ubp n ALA 227 Ca 0.00 -3.53 -0.27 0.00 0.00 0.00 0.00 53.44 49.64 1ubp n ALA 227 Cb 0.00 -2.89 0.04 0.00 0.00 0.00 0.00 19.45 16.60 1ubp n ALA 227 CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 177.50 178.45 1ubp s THR 228 N 0.23 3.22 0.27 0.00 -4.23 -1.26 -4.52 115.64 109.35 1ubp s THR 228 Ca 0.62 -0.01 0.00 0.00 -1.18 0.00 0.00 61.69 61.12 1ubp s THR 228 Cb 0.22 -3.32 0.26 0.00 1.34 0.00 0.00 72.50 71.00 1ubp s THR 228 CO -0.09 -0.35 1.80 -0.65 -0.54 0.00 0.00 174.62 174.80 1ubp h PRO 229 N -0.37 0.80 -0.13 3.99 0.11 -1.92 -1.13 132.00 133.35 1ubp h PRO 229 Ca -0.45 -0.05 -0.02 0.00 0.11 0.00 0.00 66.00 65.59 1ubp h PRO 229 Cb 1.27 -0.18 -0.00 0.00 0.11 0.00 0.00 31.00 32.20 1ubp h PRO 229 CO 0.61 0.53 0.00 0.00 -0.21 0.00 0.00 178.00 178.93 1ubp h ALA 230 N 1.55 0.17 -0.46 -0.75 0.00 -1.93 -0.94 119.26 116.90 1ubp h ALA 230 Ca 0.48 -0.19 -0.08 0.00 0.00 0.00 0.00 54.91 55.13 1ubp h ALA 230 Cb 0.58 -0.05 -0.02 0.00 0.00 0.00 0.00 17.79 18.30 1ubp h ALA 230 CO -0.31 -0.13 -0.05 0.77 0.00 0.00 0.00 179.25 179.53 1ubp h SER 231 N -0.03 0.77 0.12 0.00 0.02 -1.51 -0.52 113.55 112.40 1ubp h SER 231 Ca 0.04 -0.21 0.00 0.00 -0.84 0.00 0.00 61.79 60.79 1ubp h SER 231 Cb 0.36 -0.21 -0.01 0.00 0.14 0.00 0.00 62.40 62.68 1ubp h SER 231 CO 0.01 0.87 -0.13 0.40 -1.14 0.00 0.00 176.83 176.84 1ubp h ILE 232 N 0.73 0.72 0.02 3.27 2.04 -1.19 -2.03 117.51 121.07 1ubp h ILE 232 Ca 0.13 0.00 -0.00 0.00 1.00 0.00 0.00 64.86 65.99 1ubp h ILE 232 Cb 0.51 0.72 0.00 0.00 -0.74 0.00 0.00 36.82 37.31 1ubp h ILE 232 CO 0.03 0.00 -0.01 -0.78 0.00 0.00 0.00 178.15 177.39 1ubp h ASP 233 N -0.28 -0.03 -0.50 1.72 3.58 -0.81 -2.64 116.42 117.46 1ubp h ASP 233 Ca 0.01 -0.00 -0.07 0.00 0.42 0.00 0.00 57.03 57.38 1ubp h ASP 233 Cb 0.27 0.01 -0.02 0.00 1.72 0.00 0.00 39.33 41.30 1ubp h ASP 233 CO -0.04 -0.01 0.05 0.03 -2.88 0.00 0.00 179.24 176.39 1ubp h ARG 234 N -0.03 0.86 -0.82 0.28 2.47 -1.10 -0.83 114.38 115.20 1ubp h ARG 234 Ca -0.00 -0.25 0.02 0.00 -1.26 0.00 0.00 59.98 58.49 1ubp h ARG 234 Cb 0.03 -0.09 -0.04 0.00 -1.65 0.00 0.00 29.97 28.21 1ubp h ARG 234 CO 0.01 0.86 0.54 0.77 0.56 0.00 0.00 179.97 182.71 1ubp h SER 235 N 0.73 0.92 0.51 7.04 0.02 -1.37 -0.68 113.55 120.72 1ubp h SER 235 Ca 0.15 -0.02 -0.17 0.00 -0.84 0.00 0.00 61.79 60.92 1ubp h SER 235 Cb 0.44 -0.22 -0.01 0.00 0.14 0.00 0.00 62.40 62.75 1ubp h SER 235 CO 0.02 0.65 -0.73 -0.07 -1.14 0.00 0.00 176.83 175.56 1ubp h LEU 236 N 1.08 0.22 -0.49 5.07 3.38 -1.27 0.18 115.31 123.49 1ubp h LEU 236 Ca 0.31 -0.15 -0.03 0.00 0.09 0.00 0.00 57.88 58.10 1ubp h LEU 236 Cb -0.08 -0.06 -0.02 0.00 0.09 0.00 0.00 40.66 40.59 1ubp h LEU 236 CO -0.08 0.87 0.17 0.74 0.09 0.00 0.00 178.44 180.23 1ubp h THR 237 N 0.12 1.22 -0.43 0.22 2.02 -0.74 -0.66 112.91 114.65 1ubp h THR 237 Ca -0.02 -0.71 -0.01 0.00 0.77 0.00 0.00 66.41 66.44 1ubp h THR 237 Cb 1.29 0.77 -0.02 0.00 -1.74 0.00 0.00 68.15 68.45 1ubp h THR 237 CO 0.11 0.26 0.25 0.58 0.37 0.00 0.00 175.52 177.09 1ubp h VAL 238 N 0.65 1.15 -0.76 3.16 2.07 -0.95 -2.79 116.25 118.78 1ubp h VAL 238 Ca 0.16 -0.36 -0.06 0.00 0.82 0.00 0.00 66.70 67.26 1ubp h VAL 238 Cb 0.24 0.60 -0.03 0.00 -1.52 0.00 0.00 31.29 30.58 1ubp h VAL 238 CO -0.01 0.15 0.25 0.00 0.02 0.00 0.00 177.57 177.98 1ubp h ALA 239 N 1.10 1.01 -0.10 1.67 0.00 -0.66 0.12 119.26 122.39 1ubp h ALA 239 Ca 0.15 -0.22 -0.06 0.00 0.00 0.00 0.00 54.91 54.78 1ubp h ALA 239 Cb 0.03 -0.29 -0.01 0.00 0.00 0.00 0.00 17.79 17.51 1ubp h ALA 239 CO -0.03 0.67 -0.22 -0.44 0.00 0.00 0.00 179.25 179.23 1ubp h ASP 240 N 1.12 0.17 0.04 0.00 3.32 -1.05 0.72 116.42 120.74 1ubp h ASP 240 Ca 0.25 -0.04 -0.19 0.00 0.02 0.00 0.00 57.03 57.06 1ubp h ASP 240 Cb 0.29 -0.05 0.02 0.00 0.22 0.00 0.00 39.33 39.81 1ubp h ASP 240 CO -0.01 0.40 -0.78 -0.08 -1.72 0.00 0.00 179.24 177.05 1ubp h GLU 241 N 0.16 0.46 0.00 3.56 4.81 -1.14 -3.35 114.58 119.08 1ubp h GLU 241 Ca 0.03 -0.55 0.00 0.00 -0.13 0.00 0.00 59.36 58.71 1ubp h GLU 241 Cb 0.48 0.17 0.00 0.00 0.63 0.00 0.00 28.75 30.03 1ubp h GLU 241 CO 0.03 1.19 -0.44 0.00 -0.73 0.00 0.00 179.01 179.07 1ubp n ALA 242 N -2.62 2.73 -3.19 2.92 0.00 -0.02 -4.98 120.51 115.35 1ubp n ALA 242 Ca -0.11 -0.18 -0.15 0.00 0.00 0.00 0.00 53.44 53.00 1ubp n ALA 242 Cb 0.77 -1.26 0.07 0.00 0.00 0.00 0.00 19.45 19.03 1ubp n ALA 242 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.50 174.03 1ubp n ASP 243 N -2.16 -4.42 -4.28 0.00 2.03 0.23 -4.56 116.55 103.39 1ubp n ASP 243 Ca 0.04 -0.61 -0.15 0.00 0.52 0.00 0.00 54.79 54.58 1ubp n ASP 243 Cb 0.44 -4.78 -0.10 0.00 -0.72 0.00 0.00 41.12 35.96 1ubp n ASP 243 CO 0.00 0.00 0.00 0.68 -1.92 0.00 0.00 177.20 175.96 1ubp s VAL 244 N -3.34 0.92 0.15 5.18 -7.23 -1.14 -4.24 120.40 110.69 1ubp s VAL 244 Ca 0.24 -2.02 -0.07 0.00 -1.81 0.00 0.00 61.98 58.32 1ubp s VAL 244 Cb -0.03 -2.18 -0.06 0.00 0.56 0.00 0.00 36.38 34.67 1ubp s VAL 244 CO 0.67 -0.45 0.43 -1.58 -0.31 0.00 0.00 175.10 173.86 1ubp s GLN 245 N -3.87 3.70 -0.15 4.82 2.00 -1.26 -4.72 119.66 120.18 1ubp s GLN 245 Ca 0.25 0.07 -0.02 0.00 -2.00 0.00 0.00 55.36 53.65 1ubp s GLN 245 Cb 0.05 -2.83 -0.02 0.00 0.80 0.00 0.00 33.01 31.01 1ubp s GLN 245 CO 0.06 0.45 -0.07 0.08 -0.50 0.00 0.00 175.29 175.30 1ubp s VAL 246 N -1.64 3.52 0.19 1.34 1.01 -1.26 -1.14 120.40 122.42 1ubp s VAL 246 Ca 0.41 -0.49 0.05 0.00 0.00 0.00 0.00 61.98 61.95 1ubp s VAL 246 Cb -0.12 -2.53 -0.04 0.00 0.00 0.00 0.00 36.38 33.69 1ubp s VAL 246 CO 0.22 0.50 0.24 0.00 0.00 0.00 0.00 175.10 176.06 1ubp s ALA 247 N 0.48 3.76 -0.02 5.51 0.00 -0.35 -0.52 121.76 130.62 1ubp s ALA 247 Ca -0.06 -1.20 -0.01 0.00 0.00 0.00 0.00 51.96 50.69 1ubp s ALA 247 Cb -0.15 -1.55 0.02 0.00 0.00 0.00 0.00 23.12 21.44 1ubp s ALA 247 CO 0.03 0.41 0.04 -1.50 0.00 0.00 0.00 175.76 174.75 1ubp s ILE 248 N -1.87 -0.03 -0.43 0.00 2.07 -0.26 -0.70 121.20 119.98 1ubp s ILE 248 Ca 0.33 0.09 -0.01 0.00 -1.41 0.00 0.00 60.65 59.65 1ubp s ILE 248 Cb -0.10 -0.08 0.12 0.00 0.13 0.00 0.00 42.46 42.53 1ubp s ILE 248 CO 0.26 0.04 0.20 -2.28 -1.91 0.00 0.00 174.94 171.26 1ubp s HIS 249 N 0.50 3.58 0.97 3.50 5.65 0.22 -2.28 115.29 127.42 1ubp s HIS 249 Ca -0.04 -2.64 -0.15 0.00 0.25 0.00 0.00 55.06 52.48 1ubp s HIS 249 Cb -0.06 -3.13 0.18 0.00 -1.18 0.00 0.00 32.58 28.39 1ubp s HIS 249 CO -0.02 -0.94 1.22 -1.54 -0.65 0.00 0.00 174.74 172.82 1ubp s SER 250 N 1.33 3.06 -0.84 9.88 1.04 -1.26 -1.36 113.70 125.54 1ubp s SER 250 Ca 0.11 0.56 -0.25 0.00 0.48 0.00 0.00 55.95 56.85 1ubp s SER 250 Cb -0.22 -0.83 -0.02 0.00 0.10 0.00 0.00 66.02 65.06 1ubp s SER 250 CO -0.05 -2.79 1.79 -0.62 0.98 0.00 0.00 173.24 172.55 1ubp s ASP 251 N -4.49 5.48 0.26 7.02 -1.08 -1.26 -3.67 116.67 118.93 1ubp s ASP 251 Ca 0.69 -0.53 -0.02 0.00 -0.52 0.00 0.00 52.55 52.17 1ubp s ASP 251 Cb -0.08 -2.55 0.49 0.00 -1.46 0.00 0.00 42.92 39.32 1ubp s ASP 251 CO 0.53 -2.38 1.78 0.74 0.52 0.00 0.00 175.17 176.36 1ubp h THR 252 N 6.99 0.78 0.00 1.71 2.02 -1.93 -1.95 112.91 120.54 1ubp h THR 252 Ca -0.01 -0.23 0.00 0.00 0.77 0.00 0.00 66.41 66.94 1ubp h THR 252 Cb 1.05 0.05 0.00 0.00 -1.74 0.00 0.00 68.15 67.51 1ubp h THR 252 CO 1.25 0.12 0.00 0.18 0.37 0.00 0.00 175.52 177.45 1ubp n LEU 253 N -4.83 0.00 -3.38 2.58 4.32 -1.26 -1.95 117.00 112.48 1ubp n LEU 253 Ca 0.16 0.19 -0.24 0.00 -0.02 0.00 0.00 56.01 56.09 1ubp n LEU 253 Cb 0.39 -0.19 0.02 0.00 -1.62 0.00 0.00 43.42 42.02 1ubp n LEU 253 CO 0.23 -0.04 0.02 0.59 -1.22 0.00 0.00 177.39 176.97 1ubp n ASN 254 N -1.19 -4.83 0.05 -1.43 3.02 -0.74 -4.90 115.26 105.25 1ubp n ASN 254 Ca 0.14 -0.44 -0.13 0.00 -0.03 0.00 0.00 54.58 54.12 1ubp n ASN 254 Cb 0.16 -3.92 -0.09 0.00 -0.61 0.00 0.00 39.78 35.32 1ubp n ASN 254 CO 0.00 0.00 0.00 -0.08 -2.62 0.00 0.00 177.26 174.56 1ubp h GLU 255 N -1.41 -0.12 -0.11 3.52 4.81 -1.91 -3.18 114.58 116.19 1ubp h GLU 255 Ca -0.50 0.01 0.00 0.00 -0.13 0.00 0.00 59.36 58.74 1ubp h GLU 255 Cb 1.34 0.03 0.00 0.00 0.63 0.00 0.00 28.75 30.74 1ubp h GLU 255 CO 0.58 0.23 0.00 0.00 -0.73 0.00 0.00 179.01 179.08 1ubp n ALA 256 N -2.33 2.44 0.00 2.92 0.00 -1.26 -5.03 120.51 117.25 1ubp n ALA 256 Ca -0.08 -0.75 0.00 0.00 0.00 0.00 0.00 53.44 52.61 1ubp n ALA 256 Cb 0.21 -0.69 0.00 0.00 0.00 0.00 0.00 19.45 18.97 1ubp n ALA 256 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1ubp n GLY 257 N 1.15 0.88 4.02 0.00 0.00 -1.20 -4.94 105.19 105.10 1ubp n GLY 257 Ca 0.13 -0.84 -0.21 0.00 0.00 0.00 0.00 46.02 45.09 1ubp n GLY 257 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1ubp s PHE 258 N -2.00 1.35 0.24 1.61 0.08 -1.26 -4.22 117.98 113.78 1ubp s PHE 258 Ca 0.00 -0.57 -0.07 0.00 0.12 0.00 0.00 56.93 56.41 1ubp s PHE 258 Cb 0.00 -2.54 0.42 0.00 -0.57 0.00 0.00 43.02 40.33 1ubp s PHE 258 CO 0.00 -1.46 1.65 1.25 -0.10 0.00 0.00 175.22 176.56 1ubp h LEU 259 N -0.16 -0.25 -1.83 -0.37 5.85 -1.93 -0.14 115.31 116.47 1ubp h LEU 259 Ca -0.32 0.18 0.07 0.00 0.84 0.00 0.00 57.88 58.65 1ubp h LEU 259 Cb 1.28 0.30 -0.02 0.00 0.37 0.00 0.00 40.66 42.59 1ubp h LEU 259 CO 0.39 -0.14 0.26 1.05 -0.34 0.00 0.00 178.44 179.67 1ubp h GLU 260 N 0.14 0.19 -0.44 1.25 9.09 -1.99 -0.44 114.58 122.39 1ubp h GLU 260 Ca 0.40 -0.01 -0.14 0.00 0.05 0.00 0.00 59.36 59.66 1ubp h GLU 260 Cb 0.69 -0.04 -0.01 0.00 -1.65 0.00 0.00 28.75 27.74 1ubp h GLU 260 CO -0.61 0.13 -0.25 -0.44 0.05 0.00 0.00 179.01 177.89 1ubp h ASP 261 N 0.20 0.99 -0.61 3.06 3.32 -1.38 -0.40 116.42 121.59 1ubp h ASP 261 Ca 0.17 -0.42 -0.10 0.00 0.02 0.00 0.00 57.03 56.71 1ubp h ASP 261 Cb 0.43 -0.27 -0.02 0.00 0.22 0.00 0.00 39.33 39.69 1ubp h ASP 261 CO -0.03 1.19 0.01 0.74 -1.72 0.00 0.00 179.24 179.42 1ubp h THR 262 N 0.79 1.27 -0.49 0.35 2.02 -0.92 -1.48 112.91 114.44 1ubp h THR 262 Ca 0.09 -1.15 -0.05 0.00 0.77 0.00 0.00 66.41 66.08 1ubp h THR 262 Cb 0.83 0.79 -0.02 0.00 -1.74 0.00 0.00 68.15 68.01 1ubp h THR 262 CO 0.07 0.42 0.11 -0.07 0.37 0.00 0.00 175.52 176.42 1ubp h LEU 263 N 0.98 0.69 -0.51 2.58 3.38 -1.03 -0.77 115.31 120.63 1ubp h LEU 263 Ca 0.17 -0.12 -0.10 0.00 0.09 0.00 0.00 57.88 57.92 1ubp h LEU 263 Cb 0.56 -0.18 -0.02 0.00 0.09 0.00 0.00 40.66 41.11 1ubp h LEU 263 CO 0.03 0.69 -0.08 -0.09 0.09 0.00 0.00 178.44 179.08 1ubp h ARG 264 N 0.72 0.96 -0.82 1.13 2.43 -0.74 -1.48 114.38 116.58 1ubp h ARG 264 Ca 0.16 -0.35 -0.04 0.00 -0.81 0.00 0.00 59.98 58.94 1ubp h ARG 264 Cb 0.28 -0.07 -0.04 0.00 -0.42 0.00 0.00 29.97 29.73 1ubp h ARG 264 CO -0.00 1.02 0.35 0.00 -1.51 0.00 0.00 179.97 179.83 1ubp h ALA 265 N 0.92 1.08 -0.93 2.80 0.00 -0.90 -2.28 119.26 119.95 1ubp h ALA 265 Ca 0.14 -0.18 0.01 0.00 0.00 0.00 0.00 54.91 54.87 1ubp h ALA 265 Cb 0.63 -0.32 -0.05 0.00 0.00 0.00 0.00 17.79 18.06 1ubp h ALA 265 CO 0.04 0.67 0.60 0.82 0.00 0.00 0.00 179.25 181.38 1ubp h ILE 266 N 1.18 1.24 -5.95 0.00 2.04 -0.86 -3.41 117.51 111.76 1ubp h ILE 266 Ca 0.28 -0.47 -0.42 0.00 1.00 0.00 0.00 64.86 65.25 1ubp h ILE 266 Cb 0.18 -0.11 0.10 0.00 -0.74 0.00 0.00 36.82 36.25 1ubp h ILE 266 CO -0.03 0.24 -0.70 -3.20 0.00 0.00 0.00 178.15 174.46 1ubp n ASN 267 N -4.42 -6.02 0.00 1.72 5.15 -0.58 -2.38 115.26 108.73 1ubp n ASN 267 Ca 0.10 -0.59 0.00 0.00 -0.60 0.00 0.00 54.58 53.49 1ubp n ASN 267 Cb 0.02 -4.79 0.00 0.00 -0.53 0.00 0.00 39.78 34.49 1ubp n ASN 267 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 1ubp n GLY 268 N -1.94 1.19 3.81 8.20 0.00 -1.26 -5.02 105.19 110.17 1ubp n GLY 268 Ca 0.01 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.71 1ubp n GLY 268 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1ubp s ARG 269 N -0.08 3.49 0.33 1.61 0.52 -1.00 -4.82 118.95 119.00 1ubp s ARG 269 Ca 0.00 1.18 -0.28 0.00 -0.52 0.00 0.00 55.73 56.11 1ubp s ARG 269 Cb 0.00 -2.06 -0.09 0.00 0.52 0.00 0.00 34.95 33.32 1ubp s ARG 269 CO 0.00 -0.67 1.12 0.08 0.02 0.00 0.00 175.30 175.84 1ubp s VAL 270 N -2.43 3.42 -0.07 3.52 1.01 -1.26 -4.81 120.40 119.78 1ubp s VAL 270 Ca 0.63 1.31 -0.22 0.00 0.00 0.00 0.00 61.98 63.71 1ubp s VAL 270 Cb -0.15 -3.79 0.05 0.00 0.00 0.00 0.00 36.38 32.49 1ubp s VAL 270 CO 0.34 0.23 0.50 -0.51 0.00 0.00 0.00 175.10 175.66 1ubp s ILE 271 N -1.30 0.02 -0.33 2.22 2.07 -0.93 -4.74 121.20 118.21 1ubp s ILE 271 Ca 0.50 -0.19 -0.14 0.00 -1.41 0.00 0.00 60.65 59.42 1ubp s ILE 271 Cb -0.30 -0.79 -0.02 0.00 0.13 0.00 0.00 42.46 41.48 1ubp s ILE 271 CO 0.39 -0.10 0.29 -2.28 -1.91 0.00 0.00 174.94 171.32 1ubp s HIS 272 N -0.89 3.22 -0.47 3.50 5.65 0.32 -0.80 115.29 125.82 1ubp s HIS 272 Ca -0.09 -0.04 -0.21 0.00 0.25 0.00 0.00 55.06 54.97 1ubp s HIS 272 Cb -0.03 -2.54 0.04 0.00 -1.18 0.00 0.00 32.58 28.87 1ubp s HIS 272 CO 0.06 -0.34 0.67 0.45 -0.65 0.00 0.00 174.74 174.93 1ubp s SER 273 N 1.73 6.29 0.68 9.88 0.15 -0.34 -1.11 113.70 130.97 1ubp s SER 273 Ca 0.09 -0.54 -0.14 0.00 0.70 0.00 0.00 55.95 56.06 1ubp s SER 273 Cb -0.17 -2.32 0.01 0.00 -1.71 0.00 0.00 66.02 61.83 1ubp s SER 273 CO 0.11 -0.87 1.09 -0.36 1.20 0.00 0.00 173.24 174.41 1ubp s PHE 274 N 2.89 2.70 -0.31 3.44 0.08 -0.97 -1.68 117.98 124.14 1ubp s PHE 274 Ca 0.21 1.54 -0.06 0.00 0.12 0.00 0.00 56.93 58.73 1ubp s PHE 274 Cb -0.16 -3.10 0.01 0.00 -0.57 0.00 0.00 43.02 39.21 1ubp s PHE 274 CO 0.17 -1.60 0.19 -2.39 -0.10 0.00 0.00 175.22 171.48 1ubp n HIS 275 N -2.67 -0.47 0.26 0.36 1.44 -0.89 -4.75 115.22 108.51 1ubp n HIS 275 Ca 0.10 0.10 0.12 0.00 -2.01 0.00 0.00 57.72 56.03 1ubp n HIS 275 Cb 0.52 -0.79 0.72 0.00 0.12 0.00 0.00 29.99 30.56 1ubp n HIS 275 CO 0.00 0.00 0.00 -0.24 -2.81 0.00 0.00 176.34 173.29 1ubp h VAL 276 N 1.13 0.63 -0.42 0.61 3.04 -1.25 -1.34 116.25 118.65 1ubp h VAL 276 Ca -0.20 -0.50 -0.05 0.00 -1.01 0.00 0.00 66.70 64.94 1ubp h VAL 276 Cb 0.41 1.31 -0.02 0.00 -2.01 0.00 0.00 31.29 30.98 1ubp h VAL 276 CO 0.13 0.11 0.04 -0.08 -1.01 0.00 0.00 177.57 176.77 1ubp h GLU 277 N 0.00 0.65 0.00 4.17 4.22 -1.85 -2.37 114.58 119.40 1ubp h GLU 277 Ca -0.00 -0.14 0.00 0.00 0.08 0.00 0.00 59.36 59.30 1ubp h GLU 277 Cb 0.30 -0.09 0.00 0.00 0.50 0.00 0.00 28.75 29.46 1ubp h GLU 277 CO 0.02 0.64 0.00 0.41 -2.18 0.00 0.00 179.01 177.90 1ubp n GLY 278 N -0.84 1.59 0.35 1.92 0.00 -0.50 -4.37 105.19 103.33 1ubp n GLY 278 Ca 0.02 0.00 0.07 0.00 0.00 0.00 0.00 46.02 46.11 1ubp n GLY 278 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1ubp h ALA 279 N 0.00 1.73 0.00 4.61 0.00 -1.82 0.44 119.26 124.21 1ubp h ALA 279 Ca 0.00 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.89 1ubp h ALA 279 Cb 0.00 -0.18 0.00 0.00 0.00 0.00 0.00 17.79 17.61 1ubp h ALA 279 CO 0.00 0.16 0.00 0.41 0.00 0.00 0.00 179.25 179.82 1ubp n GLY 280 N -1.46 -1.29 0.00 0.00 0.00 -1.26 -4.91 105.19 96.28 1ubp n GLY 280 Ca 0.10 -0.14 0.00 0.00 0.00 0.00 0.00 46.02 45.99 1ubp n GLY 280 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1ubp n GLY 281 N 1.26 3.96 0.00 -0.02 0.00 0.14 -5.01 105.19 105.51 1ubp n GLY 281 Ca 0.13 -1.55 0.00 0.00 0.00 0.00 0.00 46.02 44.61 1ubp n GLY 281 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1ubp n GLY 282 N -1.45 3.99 1.71 -0.02 0.00 -1.24 -4.38 105.19 103.80 1ubp n GLY 282 Ca 0.00 -1.65 -0.31 0.00 0.00 0.00 0.00 46.02 44.05 1ubp n GLY 282 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 1ubp n HIS 283 N -1.61 0.65 -3.05 1.61 8.25 -1.21 -4.15 115.22 115.70 1ubp n HIS 283 Ca 0.00 0.43 -0.39 0.00 -0.26 0.00 0.00 57.72 57.50 1ubp n HIS 283 Cb 0.00 -1.17 -0.06 0.00 1.12 0.00 0.00 29.99 29.89 1ubp n HIS 283 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 1ubp s ALA 284 N 2.80 3.45 -2.24 -1.41 0.00 -0.82 -1.45 121.76 122.09 1ubp s ALA 284 Ca 0.60 0.25 0.22 0.00 0.00 0.00 0.00 51.96 53.03 1ubp s ALA 284 Cb -0.77 -2.89 0.46 0.00 0.00 0.00 0.00 23.12 19.92 1ubp s ALA 284 CO 0.35 0.23 1.41 -0.35 0.00 0.00 0.00 175.76 177.41 1ubp n PRO 285 N 2.07 2.53 -0.48 0.00 -0.04 -1.26 -4.93 135.00 132.88 1ubp n PRO 285 Ca -0.06 -2.35 0.06 0.00 -0.04 0.00 0.00 63.50 61.12 1ubp n PRO 285 Cb 0.50 -1.51 0.24 0.00 -0.04 0.00 0.00 33.50 32.69 1ubp n PRO 285 CO 0.00 0.00 0.00 -0.40 -0.04 0.00 0.00 175.50 175.06 1ubp n ASP 286 N 1.47 3.57 0.03 3.54 5.75 -0.81 -4.66 116.55 125.44 1ubp n ASP 286 Ca 0.20 -3.15 0.06 0.00 -0.01 0.00 0.00 54.79 51.90 1ubp n ASP 286 Cb 0.59 -0.56 0.48 0.00 -1.03 0.00 0.00 41.12 40.61 1ubp n ASP 286 CO 0.00 0.00 0.00 -0.29 -0.11 0.00 0.00 177.20 176.80 1ubp h ILE 287 N 1.55 1.04 0.00 2.12 6.09 -1.54 -1.39 117.51 125.38 1ubp h ILE 287 Ca 0.04 -0.15 0.00 0.00 -1.37 0.00 0.00 64.86 63.38 1ubp h ILE 287 Cb 1.47 0.58 0.00 0.00 0.47 0.00 0.00 36.82 39.33 1ubp h ILE 287 CO 0.24 0.08 0.05 -0.03 -3.07 0.00 0.00 178.15 175.42 1ubp h MET 288 N 0.43 0.00 0.00 2.19 4.05 -1.62 -0.95 114.93 119.02 1ubp h MET 288 Ca 0.15 0.00 0.00 0.00 -0.28 0.00 0.00 59.70 59.57 1ubp h MET 288 Cb 0.08 0.00 0.00 0.00 -0.80 0.00 0.00 31.60 30.88 1ubp h MET 288 CO -0.04 0.00 0.00 0.00 0.23 0.00 0.00 176.91 177.10 1ubp h ALA 289 N 1.90 1.00 -1.04 0.39 0.00 -1.53 -1.90 119.26 118.09 1ubp h ALA 289 Ca 0.00 0.00 0.27 0.00 0.00 0.00 0.00 54.91 55.18 1ubp h ALA 289 Cb 0.10 0.00 -0.08 0.00 0.00 0.00 0.00 17.79 17.81 1ubp h ALA 289 CO 0.00 0.00 0.68 0.52 0.00 0.00 0.00 179.25 180.45 1ubp h MET 290 N 0.00 0.32 0.00 0.00 2.86 -1.39 -2.30 114.93 114.42 1ubp h MET 290 Ca 0.00 -0.02 0.00 0.00 -2.06 0.00 0.00 59.70 57.62 1ubp h MET 290 Cb 0.03 -0.07 0.00 0.00 0.06 0.00 0.00 31.60 31.62 1ubp h MET 290 CO 0.00 0.21 0.00 0.00 1.06 0.00 0.00 176.91 178.18 1ubp n ALA 291 N -2.52 1.99 0.65 6.32 0.00 -0.71 -2.24 120.51 124.00 1ubp n ALA 291 Ca 0.24 -0.09 0.12 0.00 0.00 0.00 0.00 53.44 53.71 1ubp n ALA 291 Cb 0.91 -1.27 0.11 0.00 0.00 0.00 0.00 19.45 19.20 1ubp n ALA 291 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1ubp n GLY 292 N 0.07 -1.28 3.85 0.00 0.00 -0.87 -4.76 105.19 102.20 1ubp n GLY 292 Ca 0.10 -0.34 -0.34 0.00 0.00 0.00 0.00 46.02 45.44 1ubp n GLY 292 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 1ubp s HIS 293 N -3.15 3.51 0.32 1.61 4.02 -0.95 -2.21 115.29 118.45 1ubp s HIS 293 Ca 0.06 1.03 0.14 0.00 1.02 0.00 0.00 55.06 57.31 1ubp s HIS 293 Cb 0.15 -2.36 0.68 0.00 -1.02 0.00 0.00 32.58 30.02 1ubp s HIS 293 CO 0.76 0.33 1.78 -1.00 1.02 0.00 0.00 174.74 177.62 1ubp h PRO 294 N 3.02 0.00 -0.28 8.40 0.13 -1.93 -2.69 132.00 138.64 1ubp h PRO 294 Ca -0.48 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.65 1ubp h PRO 294 Cb 1.18 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.31 1ubp h PRO 294 CO 0.67 0.41 0.00 0.27 -0.23 0.00 0.00 178.00 179.12 1ubp n ASN 295 N -3.91 2.53 -4.54 1.44 6.94 -1.26 -0.58 115.26 115.88 1ubp n ASN 295 Ca -0.01 -1.86 -0.34 0.00 -0.02 0.00 0.00 54.58 52.34 1ubp n ASN 295 Cb 0.46 -0.18 -0.11 0.00 -2.36 0.00 0.00 39.78 37.58 1ubp n ASN 295 CO 0.00 0.00 0.00 -0.69 -1.03 0.00 0.00 177.26 175.54 1ubp s VAL 296 N -1.64 4.22 -0.44 3.53 1.01 -1.02 -2.19 120.40 123.88 1ubp s VAL 296 Ca 0.35 -0.24 -0.11 0.00 0.00 0.00 0.00 61.98 61.98 1ubp s VAL 296 Cb 0.20 -2.88 0.08 0.00 0.00 0.00 0.00 36.38 33.78 1ubp s VAL 296 CO 0.28 0.47 0.31 -0.76 0.00 0.00 0.00 175.10 175.40 1ubp s LEU 297 N 0.45 5.32 -0.21 3.92 1.43 0.02 -4.22 118.68 125.38 1ubp s LEU 297 Ca -0.01 -1.44 -0.11 0.00 -1.03 0.00 0.00 54.13 51.53 1ubp s LEU 297 Cb -0.14 -2.05 -0.05 0.00 0.03 0.00 0.00 46.19 43.98 1ubp s LEU 297 CO 0.02 -0.58 0.18 -2.16 0.23 0.00 0.00 176.35 174.05 1ubp s PRO 298 N 1.50 4.16 0.21 1.29 0.04 -1.26 -1.20 135.00 139.73 1ubp s PRO 298 Ca 0.03 -0.16 0.11 0.00 0.04 0.00 0.00 61.00 61.03 1ubp s PRO 298 Cb -0.23 -3.47 -0.04 0.00 0.04 0.00 0.00 34.50 30.79 1ubp s PRO 298 CO 0.04 0.19 -0.23 -1.54 0.04 0.00 0.00 177.00 175.50 1ubp s SER 299 N 0.65 3.36 0.11 6.66 1.04 -0.68 -2.21 113.70 122.64 1ubp s SER 299 Ca 0.10 -0.90 0.02 0.00 0.48 0.00 0.00 55.95 55.65 1ubp s SER 299 Cb -0.12 -0.25 -0.04 0.00 0.10 0.00 0.00 66.02 65.71 1ubp s SER 299 CO 0.02 0.08 0.19 -0.44 0.98 0.00 0.00 173.24 174.07 1ubp s SER 300 N -2.83 6.01 0.65 7.02 0.01 -0.33 -1.04 113.70 123.18 1ubp s SER 300 Ca 0.22 0.10 0.01 0.00 1.31 0.00 0.00 55.95 57.59 1ubp s SER 300 Cb -0.07 -1.74 0.09 0.00 0.21 0.00 0.00 66.02 64.51 1ubp s SER 300 CO 0.10 0.12 0.90 0.42 0.41 0.00 0.00 173.24 175.19 1ubp s THR 301 N -1.59 2.32 -2.17 1.44 -4.23 -1.26 -1.55 115.64 108.59 1ubp s THR 301 Ca 0.33 -0.66 0.23 0.00 -1.18 0.00 0.00 61.69 60.41 1ubp s THR 301 Cb -0.12 -2.67 0.06 0.00 1.34 0.00 0.00 72.50 71.11 1ubp s THR 301 CO 0.26 0.00 1.17 -0.46 -0.54 0.00 0.00 174.62 175.05 1ubp n ASN 302 N -2.61 2.09 0.12 3.99 0.23 -1.06 -4.38 115.26 113.65 1ubp n ASN 302 Ca 0.13 -1.54 -0.02 0.00 -0.53 0.00 0.00 54.58 52.62 1ubp n ASN 302 Cb 0.60 0.37 0.20 0.00 -2.08 0.00 0.00 39.78 38.87 1ubp n ASN 302 CO 0.00 0.00 0.00 -0.65 -0.93 0.00 0.00 177.26 175.68 1ubp h PRO 303 N 2.69 0.10 -0.00 -0.53 0.11 -1.84 -1.29 132.00 131.24 1ubp h PRO 303 Ca 0.00 -0.06 0.00 0.00 0.11 0.00 0.00 66.00 66.05 1ubp h PRO 303 Cb 0.77 0.01 0.00 0.00 0.11 0.00 0.00 31.00 31.89 1ubp h PRO 303 CO 0.00 0.61 -0.00 0.25 -0.21 0.00 0.00 178.00 178.65 1ubp n THR 304 N -3.91 0.00 -3.78 -1.15 -2.24 -1.26 -4.83 114.28 97.11 1ubp n THR 304 Ca -0.02 -0.01 -0.36 0.00 -2.27 0.00 0.00 64.05 61.39 1ubp n THR 304 Cb 0.56 -0.46 -0.13 0.00 -2.10 0.00 0.00 70.33 68.20 1ubp n THR 304 CO 0.00 0.00 0.00 -0.13 -0.57 0.00 0.00 175.07 174.37 1ubp s ARG 305 N -2.05 3.52 0.41 -0.78 1.81 -0.49 -3.44 118.95 117.93 1ubp s ARG 305 Ca 0.46 -0.56 0.00 0.00 -1.72 0.00 0.00 55.73 53.91 1ubp s ARG 305 Cb 0.22 -3.28 0.08 0.00 -0.45 0.00 0.00 34.95 31.52 1ubp s ARG 305 CO 0.38 -0.23 0.56 -0.35 -0.68 0.00 0.00 175.30 174.97 1ubp n PRO 306 N 4.89 0.25 -2.38 3.54 -0.04 -1.26 -4.81 135.00 135.20 1ubp n PRO 306 Ca -0.16 -1.56 -0.43 0.00 -0.04 0.00 0.00 63.50 61.31 1ubp n PRO 306 Cb 0.51 -0.36 -0.02 0.00 -0.04 0.00 0.00 33.50 33.59 1ubp n PRO 306 CO 0.00 0.00 0.00 0.12 -0.04 0.00 0.00 175.50 175.58 1ubp s PHE 307 N -1.60 2.49 0.41 0.54 5.36 -1.22 -4.98 117.98 118.98 1ubp s PHE 307 Ca 0.37 0.73 0.06 0.00 -0.96 0.00 0.00 56.93 57.13 1ubp s PHE 307 Cb -0.02 -4.19 -0.07 0.00 -0.34 0.00 0.00 43.02 38.40 1ubp s PHE 307 CO 0.25 -1.90 0.02 0.95 -1.46 0.00 0.00 175.22 173.08 1ubp s THR 308 N 5.08 1.72 0.38 0.12 -4.23 -1.26 -2.45 115.64 115.01 1ubp s THR 308 Ca 0.59 -2.00 0.23 0.00 -1.18 0.00 0.00 61.69 59.33 1ubp s THR 308 Cb -0.14 -2.83 0.24 0.00 1.34 0.00 0.00 72.50 71.10 1ubp s THR 308 CO 0.30 0.00 2.00 -0.37 -0.54 0.00 0.00 174.62 176.00 1ubp h VAL 309 N 1.76 0.75 -0.01 2.29 -1.51 -1.60 -2.00 116.25 115.93 1ubp h VAL 309 Ca -0.43 -0.73 0.00 0.00 -1.23 0.00 0.00 66.70 64.31 1ubp h VAL 309 Cb 1.25 1.44 0.00 0.00 -2.13 0.00 0.00 31.29 31.86 1ubp h VAL 309 CO 0.78 0.18 -0.30 0.59 -1.23 0.00 0.00 177.57 177.58 1ubp n ASN 310 N -3.78 1.00 0.12 4.19 3.02 -1.26 -4.57 115.26 113.98 1ubp n ASN 310 Ca -0.02 -0.84 -0.13 0.00 -0.03 0.00 0.00 54.58 53.57 1ubp n ASN 310 Cb 0.29 0.17 -0.06 0.00 -0.61 0.00 0.00 39.78 39.57 1ubp n ASN 310 CO 0.00 0.00 0.00 0.74 -2.62 0.00 0.00 177.26 175.38 1ubp h THR 311 N 1.10 0.44 -0.22 3.41 2.02 -1.74 -1.25 112.91 116.67 1ubp h THR 311 Ca 0.00 0.00 -0.02 0.00 0.77 0.00 0.00 66.41 67.16 1ubp h THR 311 Cb 0.52 0.44 -0.01 0.00 -1.74 0.00 0.00 68.15 67.36 1ubp h THR 311 CO 0.00 0.00 0.06 0.40 0.37 0.00 0.00 175.52 176.35 1ubp h ILE 312 N -0.46 1.20 -0.49 3.11 1.08 -1.80 0.11 117.51 120.26 1ubp h ILE 312 Ca 0.03 -0.66 0.03 0.00 -0.39 0.00 0.00 64.86 63.87 1ubp h ILE 312 Cb 0.48 1.21 -0.03 0.00 -3.07 0.00 0.00 36.82 35.41 1ubp h ILE 312 CO -0.14 0.21 0.28 0.44 -0.69 0.00 0.00 178.15 178.25 1ubp h ASP 313 N 0.19 0.44 -0.34 1.72 3.32 -1.84 0.46 116.42 120.37 1ubp h ASP 313 Ca 0.07 0.01 -0.02 0.00 0.02 0.00 0.00 57.03 57.11 1ubp h ASP 313 Cb 0.26 -0.08 -0.01 0.00 0.22 0.00 0.00 39.33 39.72 1ubp h ASP 313 CO -0.00 0.31 0.12 -0.08 -1.72 0.00 0.00 179.24 177.87 1ubp h GLU 314 N 0.56 0.52 -0.24 3.56 4.81 -1.03 -2.85 114.58 119.91 1ubp h GLU 314 Ca 0.20 -0.11 -0.17 0.00 -0.13 0.00 0.00 59.36 59.15 1ubp h GLU 314 Cb 0.05 -0.08 -0.00 0.00 0.63 0.00 0.00 28.75 29.34 1ubp h GLU 314 CO -0.10 0.54 -0.54 0.45 -0.73 0.00 0.00 179.01 178.62 1ubp h HIS 315 N 0.40 0.89 -0.35 0.92 3.86 -0.23 -0.24 115.15 120.40 1ubp h HIS 315 Ca 0.11 -0.31 0.03 0.00 -1.16 0.00 0.00 60.37 59.04 1ubp h HIS 315 Cb 0.23 -0.17 -0.03 0.00 1.06 0.00 0.00 27.41 28.50 1ubp h HIS 315 CO 0.00 1.09 0.17 -0.07 0.86 0.00 0.00 177.93 179.98 1ubp h LEU 316 N 0.55 0.24 -0.44 2.43 3.38 -0.96 -0.54 115.31 119.97 1ubp h LEU 316 Ca 0.01 0.02 -0.16 0.00 0.09 0.00 0.00 57.88 57.84 1ubp h LEU 316 Cb 1.11 -0.02 -0.00 0.00 0.09 0.00 0.00 40.66 41.83 1ubp h LEU 316 CO 0.11 0.18 -0.48 -0.78 0.09 0.00 0.00 178.44 177.56 1ubp h ASP 317 N 0.35 0.84 -0.66 -0.43 3.58 -1.47 -1.89 116.42 116.74 1ubp h ASP 317 Ca 0.15 -0.42 0.03 0.00 0.42 0.00 0.00 57.03 57.21 1ubp h ASP 317 Cb 0.07 -0.24 -0.04 0.00 1.72 0.00 0.00 39.33 40.83 1ubp h ASP 317 CO -0.11 1.18 0.40 -0.03 -2.88 0.00 0.00 179.24 177.80 1ubp h MET 318 N 0.61 0.76 -0.44 0.28 4.05 -0.76 -0.21 114.93 119.22 1ubp h MET 318 Ca 0.03 -0.05 -0.09 0.00 -0.28 0.00 0.00 59.70 59.32 1ubp h MET 318 Cb 1.05 -0.17 -0.02 0.00 -0.80 0.00 0.00 31.60 31.66 1ubp h MET 318 CO 0.10 0.50 -0.09 1.25 0.23 0.00 0.00 176.91 178.91 1ubp h LEU 319 N 0.78 0.77 -0.49 3.39 5.85 -1.03 0.14 115.31 124.73 1ubp h LEU 319 Ca 0.27 -0.22 -0.01 0.00 0.84 0.00 0.00 57.88 58.76 1ubp h LEU 319 Cb 0.04 -0.21 -0.02 0.00 0.37 0.00 0.00 40.66 40.84 1ubp h LEU 319 CO -0.12 0.89 0.27 0.24 -0.34 0.00 0.00 178.44 179.39 1ubp h MET 320 N 0.71 0.68 0.00 1.25 2.86 -0.49 0.09 114.93 120.03 1ubp h MET 320 Ca 0.12 -0.08 -0.00 0.00 -2.06 0.00 0.00 59.70 57.69 1ubp h MET 320 Cb 0.57 -0.13 0.00 0.00 0.06 0.00 0.00 31.60 32.09 1ubp h MET 320 CO 0.03 0.52 -0.00 0.28 1.06 0.00 0.00 176.91 178.81 1ubp h VAL 321 N 0.65 1.39 0.00 -2.22 2.07 -0.75 -0.03 116.25 117.35 1ubp h VAL 321 Ca 0.17 -1.15 -0.18 0.00 0.82 0.00 0.00 66.70 66.36 1ubp h VAL 321 Cb 0.04 2.17 -0.03 0.00 -1.52 0.00 0.00 31.29 31.96 1ubp h VAL 321 CO -0.03 0.30 -0.85 0.00 0.02 0.00 0.00 177.57 177.01 1ubp n HIS 323 N -3.42 1.61 -4.28 0.00 -0.00 0.01 -4.97 115.22 104.18 1ubp n HIS 323 Ca 0.00 -0.61 -0.33 0.00 -0.00 0.00 0.00 57.72 56.78 1ubp n HIS 323 Cb 0.84 -0.33 -0.08 0.00 -0.00 0.00 0.00 29.99 30.42 1ubp n HIS 323 CO 0.00 0.00 0.00 0.72 -0.00 0.00 0.00 176.34 177.06 1ubp n HIS 324 N 0.90 -1.29 -3.26 1.57 8.25 -1.09 -4.96 115.22 115.33 1ubp n HIS 324 Ca 0.25 0.54 -0.34 0.00 -0.26 0.00 0.00 57.72 57.91 1ubp n HIS 324 Cb 0.95 -2.83 -0.06 0.00 1.12 0.00 0.00 29.99 29.18 1ubp n HIS 324 CO 0.00 0.00 0.00 -0.51 0.64 0.00 0.00 176.34 176.47 1ubp s LEU 325 N -7.39 4.22 -0.13 2.41 1.43 -0.05 -5.03 118.68 114.14 1ubp s LEU 325 Ca 0.07 1.16 0.00 0.00 -1.03 0.00 0.00 54.13 54.33 1ubp s LEU 325 Cb -0.04 -3.67 -0.01 0.00 0.03 0.00 0.00 46.19 42.50 1ubp s LEU 325 CO 0.99 -0.04 -0.14 -0.54 0.23 0.00 0.00 176.35 176.85 1ubp s LYS 326 N -2.47 3.33 0.25 1.70 -0.14 -1.26 -4.83 119.74 116.32 1ubp s LYS 326 Ca 0.46 -0.71 0.21 0.00 -1.36 0.00 0.00 55.97 54.57 1ubp s LYS 326 Cb -0.13 -2.61 0.98 0.00 -1.68 0.00 0.00 37.83 34.39 1ubp s LYS 326 CO 0.19 0.18 1.63 1.04 -0.76 0.00 0.00 175.35 177.64 1ubp n GLN 327 N 3.61 0.15 -0.20 1.68 1.13 -1.26 -1.67 117.38 120.81 1ubp n GLN 327 Ca -0.18 0.51 0.10 0.00 -1.94 0.00 0.00 57.00 55.49 1ubp n GLN 327 Cb 0.53 -1.86 0.27 0.00 0.11 0.00 0.00 30.24 29.28 1ubp n GLN 327 CO 0.00 0.00 0.00 0.27 -1.44 0.00 0.00 177.06 175.89 1ubp n ASN 328 N -2.16 2.80 -4.13 1.08 6.94 -1.26 -4.63 115.26 113.91 1ubp n ASN 328 Ca 0.01 -1.93 -0.35 0.00 -0.02 0.00 0.00 54.58 52.29 1ubp n ASN 328 Cb 0.13 -0.26 -0.13 0.00 -2.36 0.00 0.00 39.78 37.16 1ubp n ASN 328 CO 0.00 0.00 0.00 -0.63 -1.03 0.00 0.00 177.26 175.60 1ubp s ILE 329 N -1.48 2.94 0.33 1.53 1.01 -0.67 -5.01 121.20 119.86 1ubp s ILE 329 Ca 0.36 -1.76 0.09 0.00 0.00 0.00 0.00 60.65 59.35 1ubp s ILE 329 Cb 0.20 -2.87 0.32 0.00 0.01 0.00 0.00 42.46 40.13 1ubp s ILE 329 CO 0.28 -0.37 1.79 -0.65 0.00 0.00 0.00 174.94 175.98 1ubp h PRO 330 N 7.94 0.64 -0.42 2.79 0.11 -1.83 0.88 132.00 142.10 1ubp h PRO 330 Ca -0.16 -0.04 -0.02 0.00 0.11 0.00 0.00 66.00 65.89 1ubp h PRO 330 Cb 1.05 -0.14 -0.02 0.00 0.11 0.00 0.00 31.00 31.99 1ubp h PRO 330 CO 0.58 0.42 0.17 0.93 -0.21 0.00 0.00 178.00 179.89 1ubp h GLU 331 N 0.65 0.60 -0.17 1.05 3.07 -1.94 -1.30 114.58 116.54 1ubp h GLU 331 Ca 0.57 -0.08 -0.20 0.00 -0.50 0.00 0.00 59.36 59.15 1ubp h GLU 331 Cb 1.03 -0.11 0.00 0.00 -0.84 0.00 0.00 28.75 28.83 1ubp h GLU 331 CO -0.34 0.50 -0.70 -0.44 -1.40 0.00 0.00 179.01 176.63 1ubp h ASP 332 N 0.60 0.81 0.42 1.42 3.32 -1.10 -0.57 116.42 121.33 1ubp h ASP 332 Ca 0.15 -0.50 -0.15 0.00 0.02 0.00 0.00 57.03 56.54 1ubp h ASP 332 Cb 0.12 -0.24 -0.01 0.00 0.22 0.00 0.00 39.33 39.42 1ubp h ASP 332 CO -0.02 1.28 -0.64 -0.37 -1.72 0.00 0.00 179.24 177.77 1ubp h VAL 333 N 0.50 1.41 -0.38 -1.35 -1.51 -1.23 -1.23 116.25 112.45 1ubp h VAL 333 Ca -0.03 -2.09 -0.07 0.00 -1.23 0.00 0.00 66.70 63.28 1ubp h VAL 333 Cb 1.30 2.08 -0.01 0.00 -2.13 0.00 0.00 31.29 32.53 1ubp h VAL 333 CO 0.14 0.61 -0.03 0.00 -1.23 0.00 0.00 177.57 177.06 1ubp h ALA 334 N 1.18 0.52 -0.19 5.19 0.00 -1.22 -0.69 119.26 124.04 1ubp h ALA 334 Ca -0.01 -0.27 0.04 0.00 0.00 0.00 0.00 54.91 54.67 1ubp h ALA 334 Cb 1.16 -0.14 -0.04 0.00 0.00 0.00 0.00 17.79 18.77 1ubp h ALA 334 CO 0.10 0.32 -0.09 0.35 0.00 0.00 0.00 179.25 179.93 1ubp h PHE 335 N 0.51 -0.21 -0.44 0.00 3.57 -0.95 -0.29 116.94 119.13 1ubp h PHE 335 Ca 0.10 0.02 -0.01 0.00 3.53 0.00 0.00 57.97 61.62 1ubp h PHE 335 Cb 0.52 0.12 -0.02 0.00 2.79 0.00 0.00 35.95 39.36 1ubp h PHE 335 CO 0.04 -0.14 0.25 0.00 -2.23 0.00 0.00 178.31 176.23 1ubp h ALA 336 N 1.10 0.56 0.00 2.41 0.00 -1.00 -2.09 119.26 120.24 1ubp h ALA 336 Ca 0.10 -0.07 -0.03 0.00 0.00 0.00 0.00 54.91 54.92 1ubp h ALA 336 Cb 0.22 -0.18 -0.00 0.00 0.00 0.00 0.00 17.79 17.83 1ubp h ALA 336 CO -0.24 0.07 -0.12 -0.44 0.00 0.00 0.00 179.25 178.52 1ubp h ASP 337 N 0.58 0.00 1.78 0.00 3.32 -0.82 -1.12 116.42 120.15 1ubp h ASP 337 Ca 0.16 0.00 -0.00 0.00 0.02 0.00 0.00 57.03 57.20 1ubp h ASP 337 Cb 0.02 0.00 -0.00 0.00 0.22 0.00 0.00 39.33 39.57 1ubp h ASP 337 CO -0.03 0.12 -0.22 0.77 -1.72 0.00 0.00 179.24 178.16 1ubp h SER 338 N 0.00 0.00 0.00 6.45 4.64 -0.49 -3.38 113.55 120.77 1ubp h SER 338 Ca -0.00 0.00 -0.37 0.00 -0.47 0.00 0.00 61.79 60.95 1ubp h SER 338 Cb 0.30 0.00 -0.07 0.00 -0.31 0.00 0.00 62.40 62.33 1ubp h SER 338 CO 0.02 0.01 -2.39 -1.14 -0.87 0.00 0.00 176.83 172.45 1ubp n ARG 339 N -3.01 0.69 -3.50 4.77 0.63 -0.84 -4.59 116.66 110.81 1ubp n ARG 339 Ca 0.03 0.10 -0.42 0.00 -0.92 0.00 0.00 57.85 56.63 1ubp n ARG 339 Cb 0.54 -1.50 -0.08 0.00 0.45 0.00 0.00 32.46 31.87 1ubp n ARG 339 CO 0.00 0.00 0.00 0.42 -2.51 0.00 0.00 177.63 175.54 1ubp s ILE 340 N -2.49 4.62 -0.10 5.15 -1.09 -0.48 -3.86 121.20 122.94 1ubp s ILE 340 Ca -0.26 -1.40 0.00 0.00 -2.23 0.00 0.00 60.65 56.77 1ubp s ILE 340 Cb 0.08 -3.87 0.02 0.00 -1.58 0.00 0.00 42.46 37.11 1ubp s ILE 340 CO 0.64 -0.62 -0.09 -0.13 -1.23 0.00 0.00 174.94 173.51 1ubp s ARG 341 N 1.49 1.55 0.41 2.79 0.52 -1.26 -4.77 118.95 119.68 1ubp s ARG 341 Ca 0.04 -0.29 0.12 0.00 -0.52 0.00 0.00 55.73 55.08 1ubp s ARG 341 Cb -0.25 -1.54 0.85 0.00 0.52 0.00 0.00 34.95 34.53 1ubp s ARG 341 CO 0.03 -0.21 1.93 -1.00 0.02 0.00 0.00 175.30 176.07 1ubp h PRO 342 N 7.92 0.11 -0.61 3.54 0.13 -1.97 -2.31 132.00 138.82 1ubp h PRO 342 Ca -0.30 -0.03 -0.02 0.00 -0.87 0.00 0.00 66.00 64.78 1ubp h PRO 342 Cb 1.14 -0.01 -0.03 0.00 0.13 0.00 0.00 31.00 32.23 1ubp h PRO 342 CO 0.42 0.31 0.28 0.93 -0.23 0.00 0.00 178.00 179.71 1ubp h GLU 343 N 0.10 0.88 0.01 0.86 3.07 -1.92 -1.05 114.58 116.53 1ubp h GLU 343 Ca 0.02 -0.14 -0.24 0.00 -0.50 0.00 0.00 59.36 58.50 1ubp h GLU 343 Cb 0.41 -0.16 -0.03 0.00 -0.84 0.00 0.00 28.75 28.13 1ubp h GLU 343 CO 0.03 0.72 -1.23 1.79 -1.40 0.00 0.00 179.01 178.91 1ubp h THR 344 N 0.83 1.44 -0.40 1.13 1.35 -1.73 -2.94 112.91 112.60 1ubp h THR 344 Ca 0.21 -3.18 -0.14 0.00 -0.55 0.00 0.00 66.41 62.75 1ubp h THR 344 Cb 0.13 2.73 -0.01 0.00 -1.73 0.00 0.00 68.15 69.28 1ubp h THR 344 CO -0.02 0.84 -0.29 0.40 -0.25 0.00 0.00 175.52 176.20 1ubp h ILE 345 N 0.01 1.28 -0.60 6.82 2.04 -1.31 -0.20 117.51 125.54 1ubp h ILE 345 Ca -0.10 -1.45 -0.04 0.00 1.00 0.00 0.00 64.86 64.27 1ubp h ILE 345 Cb 1.86 1.33 -0.03 0.00 -0.74 0.00 0.00 36.82 39.24 1ubp h ILE 345 CO 0.12 0.49 0.23 0.00 0.00 0.00 0.00 178.15 178.99 1ubp h ALA 346 N 0.79 0.79 -0.14 1.87 0.00 -1.30 -2.60 119.26 118.66 1ubp h ALA 346 Ca 0.08 -0.18 -0.08 0.00 0.00 0.00 0.00 54.91 54.73 1ubp h ALA 346 Cb 0.87 -0.24 -0.01 0.00 0.00 0.00 0.00 17.79 18.41 1ubp h ALA 346 CO 0.08 0.41 -0.28 0.00 0.00 0.00 0.00 179.25 179.46 1ubp h ALA 347 N 1.08 1.26 -1.00 0.00 0.00 -1.35 -2.57 119.26 116.67 1ubp h ALA 347 Ca 0.20 -0.32 0.04 0.00 0.00 0.00 0.00 54.91 54.82 1ubp h ALA 347 Cb 0.22 -0.09 -0.06 0.00 0.00 0.00 0.00 17.79 17.86 1ubp h ALA 347 CO -0.01 0.50 0.66 1.49 0.00 0.00 0.00 179.25 181.88 1ubp h GLU 348 N 0.24 1.23 -0.24 0.00 4.81 -0.63 0.18 114.58 120.17 1ubp h GLU 348 Ca 0.04 -0.07 0.05 0.00 -0.13 0.00 0.00 59.36 59.24 1ubp h GLU 348 Cb 0.63 -0.28 -0.04 0.00 0.63 0.00 0.00 28.75 29.69 1ubp h GLU 348 CO 0.05 0.81 -0.05 -0.44 -0.73 0.00 0.00 179.01 178.64 1ubp h ASP 349 N 1.26 -0.21 -0.14 1.04 3.32 -1.35 -1.80 116.42 118.54 1ubp h ASP 349 Ca 0.40 0.07 -0.12 0.00 0.02 0.00 0.00 57.03 57.40 1ubp h ASP 349 Cb 0.01 0.14 -0.01 0.00 0.22 0.00 0.00 39.33 39.69 1ubp h ASP 349 CO -0.13 -0.07 -0.33 0.40 -1.72 0.00 0.00 179.24 177.39 1ubp h ILE 350 N 0.01 1.28 -0.10 0.35 2.04 -1.23 -2.40 117.51 117.46 1ubp h ILE 350 Ca 0.11 -1.46 -0.05 0.00 1.00 0.00 0.00 64.86 64.47 1ubp h ILE 350 Cb 0.17 1.41 -0.01 0.00 -0.74 0.00 0.00 36.82 37.66 1ubp h ILE 350 CO -0.24 0.47 -0.16 -0.07 0.00 0.00 0.00 178.15 178.15 1ubp h LEU 351 N 0.54 0.15 -0.34 1.44 3.38 -0.49 -0.26 115.31 119.72 1ubp h LEU 351 Ca 0.06 -0.03 -0.06 0.00 0.09 0.00 0.00 57.88 57.94 1ubp h LEU 351 Cb 0.82 -0.04 -0.01 0.00 0.09 0.00 0.00 40.66 41.52 1ubp h LEU 351 CO 0.07 0.33 -0.04 0.45 0.09 0.00 0.00 178.44 179.34 1ubp h HIS 352 N 0.15 0.69 -0.17 1.13 3.86 -0.94 -0.45 115.15 119.41 1ubp h HIS 352 Ca 0.03 -0.13 -0.07 0.00 -1.16 0.00 0.00 60.37 59.04 1ubp h HIS 352 Cb 0.38 -0.17 -0.01 0.00 1.06 0.00 0.00 27.41 28.66 1ubp h HIS 352 CO 0.00 0.76 -0.19 0.22 0.86 0.00 0.00 177.93 179.59 1ubp h ASP 353 N 0.42 0.29 0.95 2.45 3.58 -0.79 -2.25 116.42 121.07 1ubp h ASP 353 Ca 0.09 -0.07 0.00 0.00 0.42 0.00 0.00 57.03 57.47 1ubp h ASP 353 Cb 0.51 -0.08 0.00 0.00 1.72 0.00 0.00 39.33 41.48 1ubp h ASP 353 CO 0.02 0.50 -0.12 0.18 -2.88 0.00 0.00 179.24 176.95 1ubp n LEU 354 N -4.20 0.21 0.00 2.28 4.77 -0.21 -4.94 117.00 114.90 1ubp n LEU 354 Ca -0.01 0.41 0.00 0.00 -0.03 0.00 0.00 56.01 56.38 1ubp n LEU 354 Cb 0.33 -0.42 0.00 0.00 -2.33 0.00 0.00 43.42 40.99 1ubp n LEU 354 CO 0.39 0.00 0.00 0.61 -1.33 0.00 0.00 177.39 177.06 1ubp n GLY 355 N 1.47 0.56 0.09 -0.72 0.00 -0.85 -4.80 105.19 100.94 1ubp n GLY 355 Ca 0.06 -0.83 -0.07 0.00 0.00 0.00 0.00 46.02 45.18 1ubp n GLY 355 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 1ubp n ILE 356 N -3.15 1.42 -3.76 -0.61 5.41 -0.21 -2.73 119.36 115.72 1ubp n ILE 356 Ca 0.00 -0.79 -0.36 0.00 1.00 0.00 0.00 62.75 62.60 1ubp n ILE 356 Cb 0.20 -0.78 -0.12 0.00 -0.71 0.00 0.00 39.64 38.24 1ubp n ILE 356 CO 0.00 0.00 0.00 -0.63 0.00 0.00 0.00 176.55 175.92 1ubp s ILE 357 N -2.65 4.56 -0.22 1.39 1.01 -1.01 -4.81 121.20 119.48 1ubp s ILE 357 Ca -0.06 -0.09 0.22 0.00 0.00 0.00 0.00 60.65 60.71 1ubp s ILE 357 Cb 0.08 -3.13 -0.02 0.00 0.01 0.00 0.00 42.46 39.39 1ubp s ILE 357 CO 0.83 0.34 1.01 -1.20 0.00 0.00 0.00 174.94 175.91 1ubp n SER 358 N 4.76 0.86 -4.10 3.58 7.64 -0.94 -4.62 113.62 120.80 1ubp n SER 358 Ca -0.16 0.34 -0.11 0.00 1.01 0.00 0.00 58.87 59.95 1ubp n SER 358 Cb 0.52 0.39 -0.11 0.00 -1.01 0.00 0.00 64.21 64.01 1ubp n SER 358 CO 0.00 0.00 0.00 -0.04 -3.01 0.00 0.00 175.04 171.99 1ubp s MET 359 N -3.29 0.64 0.30 1.43 -1.94 -0.99 -4.09 119.30 111.36 1ubp s MET 359 Ca -0.01 -1.04 0.10 0.00 -1.71 0.00 0.00 55.69 53.02 1ubp s MET 359 Cb 0.09 -0.13 -0.05 0.00 2.01 0.00 0.00 34.83 36.76 1ubp s MET 359 CO 0.79 -0.02 -0.02 -1.64 -0.01 0.00 0.00 175.02 174.13 1ubp s MET 360 N -2.84 2.12 0.18 2.03 1.00 -0.40 -1.19 119.30 120.21 1ubp s MET 360 Ca 0.01 -1.60 -0.23 0.00 0.00 0.00 0.00 55.69 53.86 1ubp s MET 360 Cb -0.01 -2.02 0.07 0.00 0.00 0.00 0.00 34.83 32.87 1ubp s MET 360 CO -0.04 0.26 0.96 -1.54 0.00 0.00 0.00 175.02 174.67 1ubp s SER 361 N -3.67 -0.11 -0.22 3.03 1.04 -0.60 -4.73 113.70 108.43 1ubp s SER 361 Ca 0.33 -0.54 -0.16 0.00 0.48 0.00 0.00 55.95 56.06 1ubp s SER 361 Cb -0.04 0.52 -0.10 0.00 0.10 0.00 0.00 66.02 66.50 1ubp s SER 361 CO 0.19 -1.00 -0.23 0.35 0.98 0.00 0.00 173.24 173.53 1ubp n THR 362 N -0.54 1.51 -2.39 2.02 -2.24 -1.26 -2.58 114.28 108.80 1ubp n THR 362 Ca -0.05 -0.08 -0.06 0.00 -2.27 0.00 0.00 64.05 61.59 1ubp n THR 362 Cb 0.60 -2.12 0.01 0.00 -2.10 0.00 0.00 70.33 66.72 1ubp n THR 362 CO 0.00 0.00 0.00 -0.67 -0.57 0.00 0.00 175.07 173.83 1ubp n ASP 363 N -4.40 -2.67 -4.74 3.42 -0.08 0.10 -3.25 116.55 104.93 1ubp n ASP 363 Ca -0.32 -0.06 -0.66 0.00 -1.51 0.00 0.00 54.79 52.24 1ubp n ASP 363 Cb 0.66 -1.69 -0.09 0.00 2.34 0.00 0.00 41.12 42.33 1ubp n ASP 363 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 1ubp n ALA 364 N -2.05 -1.10 -0.75 -1.67 0.00 -1.15 -1.63 120.51 112.16 1ubp n ALA 364 Ca -0.04 0.47 0.00 0.00 0.00 0.00 0.00 53.44 53.88 1ubp n ALA 364 Cb 0.54 -1.99 0.00 0.00 0.00 0.00 0.00 19.45 18.00 1ubp n ALA 364 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 1ubp n LEU 365 N 4.32 0.57 -0.07 0.00 4.77 -0.43 -3.33 117.00 122.83 1ubp n LEU 365 Ca 0.30 0.00 -0.12 0.00 -0.03 0.00 0.00 56.01 56.16 1ubp n LEU 365 Cb -0.02 -0.96 -0.06 0.00 -2.33 0.00 0.00 43.42 40.05 1ubp n LEU 365 CO 0.88 -0.32 -0.97 0.00 -1.33 0.00 0.00 177.39 175.64 1ubp n ALA 366 N 1.00 1.86 -2.70 -1.18 0.00 -0.65 -4.88 120.51 113.96 1ubp n ALA 366 Ca 0.00 -0.58 -0.07 0.00 0.00 0.00 0.00 53.44 52.79 1ubp n ALA 366 Cb 0.04 0.24 0.09 0.00 0.00 0.00 0.00 19.45 19.82 1ubp n ALA 366 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 177.50 177.38 1ubp n MET 367 N -3.23 0.86 0.00 0.00 1.56 -0.82 -5.02 117.12 110.47 1ubp n MET 367 Ca -0.26 -1.58 0.00 0.00 -0.27 0.00 0.00 57.70 55.59 1ubp n MET 367 Cb 0.73 -0.44 0.00 0.00 2.15 0.00 0.00 33.22 35.67 1ubp n MET 367 CO 0.00 0.00 0.00 0.41 -0.73 0.00 0.00 175.97 175.65 1ubp n GLY 368 N -0.07 0.75 3.38 -5.12 0.00 -0.88 -4.56 105.19 98.68 1ubp n GLY 368 Ca -0.03 -0.69 -0.37 0.00 0.00 0.00 0.00 46.02 44.93 1ubp n GLY 368 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1ubp s ARG 369 N -2.00 3.35 0.48 1.61 0.52 -1.23 -1.31 118.95 120.37 1ubp s ARG 369 Ca 0.00 -0.68 0.19 0.00 -0.52 0.00 0.00 55.73 54.72 1ubp s ARG 369 Cb 0.00 -3.30 1.20 0.00 0.52 0.00 0.00 34.95 33.37 1ubp s ARG 369 CO 0.00 -0.31 1.98 0.00 0.02 0.00 0.00 175.30 177.00 1ubp h ALA 370 N 8.22 2.23 -0.36 2.13 0.00 -1.91 -2.30 119.26 127.27 1ubp h ALA 370 Ca -0.36 -0.01 -0.04 0.00 0.00 0.00 0.00 54.91 54.50 1ubp h ALA 370 Cb 1.15 -0.02 -0.02 0.00 0.00 0.00 0.00 17.79 18.89 1ubp h ALA 370 CO 0.59 -0.38 0.02 0.41 0.00 0.00 0.00 179.25 179.90 1ubp n GLY 371 N -1.57 3.96 0.07 0.00 0.00 -1.26 -4.05 105.19 102.34 1ubp n GLY 371 Ca 0.10 -1.04 0.02 0.00 0.00 0.00 0.00 46.02 45.09 1ubp n GLY 371 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1ubp n GLU 372 N -0.40 1.46 0.08 1.61 1.02 -0.86 -4.67 120.64 118.87 1ubp n GLU 372 Ca 0.25 -1.31 -0.13 0.00 -0.02 0.00 0.00 57.16 55.95 1ubp n GLU 372 Cb 1.00 -0.87 -0.08 0.00 -0.02 0.00 0.00 31.44 31.47 1ubp n GLU 372 CO 0.00 0.00 0.00 1.98 1.18 0.00 0.00 177.13 180.29 1ubp h MET 373 N 0.00 -0.16 -0.29 3.49 4.05 -1.82 -1.64 114.93 118.56 1ubp h MET 373 Ca 0.00 0.01 -0.05 0.00 -0.28 0.00 0.00 59.70 59.38 1ubp h MET 373 Cb 0.84 0.04 -0.01 0.00 -0.80 0.00 0.00 31.60 31.66 1ubp h MET 373 CO 0.00 0.07 -0.01 0.28 0.23 0.00 0.00 176.91 177.47 1ubp h VAL 374 N -0.37 1.26 -0.22 -5.77 2.07 -1.88 -2.48 116.25 108.88 1ubp h VAL 374 Ca -0.02 -0.97 0.06 0.00 0.82 0.00 0.00 66.70 66.59 1ubp h VAL 374 Cb 0.30 1.32 -0.07 0.00 -1.52 0.00 0.00 31.29 31.32 1ubp h VAL 374 CO 0.03 0.31 -0.35 0.25 0.02 0.00 0.00 177.57 177.83 1ubp h LEU 375 N 0.31 -1.12 -0.64 2.57 5.85 -1.54 -2.19 115.31 118.54 1ubp h LEU 375 Ca 0.08 0.17 -0.04 0.00 0.84 0.00 0.00 57.88 58.93 1ubp h LEU 375 Cb 0.46 0.48 -0.01 0.00 0.37 0.00 0.00 40.66 41.97 1ubp h LEU 375 CO 0.02 -0.37 -0.19 0.03 -0.34 0.00 0.00 178.44 177.59 1ubp h ARG 376 N -0.38 0.00 -0.05 1.25 3.08 -1.30 -2.32 114.38 114.66 1ubp h ARG 376 Ca 0.11 0.00 -0.00 0.00 0.07 0.00 0.00 59.98 60.16 1ubp h ARG 376 Cb 0.57 0.00 -0.00 0.00 0.08 0.00 0.00 29.97 30.61 1ubp h ARG 376 CO -0.42 0.19 0.03 1.15 -1.07 0.00 0.00 179.97 179.85 1ubp h THR 377 N 0.00 1.04 -0.13 2.04 2.02 -0.91 -1.58 112.91 115.40 1ubp h THR 377 Ca -0.00 -0.12 -0.16 0.00 0.77 0.00 0.00 66.41 66.90 1ubp h THR 377 Cb 0.92 1.03 -0.01 0.00 -1.74 0.00 0.00 68.15 68.35 1ubp h THR 377 CO 0.02 0.04 -0.59 -0.50 0.37 0.00 0.00 175.52 174.86 1ubp h TRP 378 N 0.04 0.52 -0.88 3.16 4.06 -1.36 -1.85 115.95 119.65 1ubp h TRP 378 Ca 0.02 -0.20 0.01 0.00 2.06 0.00 0.00 58.89 60.78 1ubp h TRP 378 Cb 0.03 -0.09 -0.04 0.00 -1.00 0.00 0.00 29.16 28.06 1ubp h TRP 378 CO -0.06 0.90 0.58 1.96 -3.56 0.00 0.00 178.44 178.25 1ubp h GLN 379 N 0.31 1.16 -0.22 0.49 4.20 -1.41 -0.64 115.11 118.99 1ubp h GLN 379 Ca -0.00 -0.07 -0.01 0.00 0.06 0.00 0.00 58.65 58.62 1ubp h GLN 379 Cb 1.12 -0.26 -0.01 0.00 0.30 0.00 0.00 27.48 28.63 1ubp h GLN 379 CO 0.10 0.77 0.09 1.15 -0.67 0.00 0.00 178.83 180.27 1ubp h THR 380 N 1.19 1.17 -0.86 -0.54 2.02 -1.04 -1.60 112.91 113.25 1ubp h THR 380 Ca 0.32 -0.51 0.00 0.00 0.77 0.00 0.00 66.41 67.00 1ubp h THR 380 Cb -0.13 1.10 -0.04 0.00 -1.74 0.00 0.00 68.15 67.33 1ubp h THR 380 CO -0.07 0.16 0.54 0.00 0.37 0.00 0.00 175.52 176.53 1ubp h ALA 381 N 0.93 1.34 -0.54 6.16 0.00 -0.97 -0.70 119.26 125.48 1ubp h ALA 381 Ca 0.07 -0.08 -0.10 0.00 0.00 0.00 0.00 54.91 54.80 1ubp h ALA 381 Cb 0.18 -0.35 -0.02 0.00 0.00 0.00 0.00 17.79 17.60 1ubp h ALA 381 CO -0.01 0.59 -0.06 0.22 0.00 0.00 0.00 179.25 179.99 1ubp h ASP 382 N 1.17 1.00 -0.55 0.00 3.58 -1.04 -0.66 116.42 119.92 1ubp h ASP 382 Ca 0.31 -0.33 -0.09 0.00 0.42 0.00 0.00 57.03 57.34 1ubp h ASP 382 Cb -0.09 -0.27 -0.02 0.00 1.72 0.00 0.00 39.33 40.66 1ubp h ASP 382 CO -0.06 1.10 0.02 0.50 -2.88 0.00 0.00 179.24 177.91 1ubp h LYS 383 N 0.88 0.99 -0.31 0.28 3.64 -0.63 -2.04 116.57 119.38 1ubp h LYS 383 Ca 0.15 -0.29 -0.15 0.00 -1.27 0.00 0.00 60.65 59.08 1ubp h LYS 383 Cb 0.62 -0.10 -0.01 0.00 -0.41 0.00 0.00 32.23 32.33 1ubp h LYS 383 CO 0.04 0.97 -0.40 0.52 -2.27 0.00 0.00 179.45 178.30 1ubp h MET 384 N 0.92 0.76 0.05 1.90 2.86 -0.96 -0.60 114.93 119.86 1ubp h MET 384 Ca 0.17 -0.40 0.00 0.00 -2.06 0.00 0.00 59.70 57.41 1ubp h MET 384 Cb 0.51 0.01 -0.01 0.00 0.06 0.00 0.00 31.60 32.18 1ubp h MET 384 CO 0.02 1.03 -0.05 -0.22 1.06 0.00 0.00 176.91 178.75 1ubp h LYS 385 N 0.62 -0.11 -0.31 1.72 3.64 -0.78 0.27 116.57 121.62 1ubp h LYS 385 Ca 0.05 0.01 0.04 0.00 -1.27 0.00 0.00 60.65 59.48 1ubp h LYS 385 Cb 0.96 0.03 -0.04 0.00 -0.41 0.00 0.00 32.23 32.76 1ubp h LYS 385 CO 0.09 -0.07 0.06 0.87 -2.27 0.00 0.00 179.45 178.12 1ubp h LYS 386 N -0.12 0.16 0.00 1.90 1.57 -1.03 0.20 116.57 119.26 1ubp h LYS 386 Ca 0.00 -0.01 -0.22 0.00 -1.87 0.00 0.00 60.65 58.56 1ubp h LYS 386 Cb 0.12 -0.04 -0.03 0.00 0.08 0.00 0.00 32.23 32.35 1ubp h LYS 386 CO -0.02 0.11 -1.18 1.96 -0.57 0.00 0.00 179.45 179.75 1ubp h GLN 387 N 0.17 0.00 0.00 3.15 4.20 -0.89 -3.39 115.11 118.35 1ubp h GLN 387 Ca 0.14 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.85 1ubp h GLN 387 Cb 0.16 0.00 0.00 0.00 0.30 0.00 0.00 27.48 27.94 1ubp h GLN 387 CO -0.19 0.74 -0.61 0.54 -0.67 0.00 0.00 178.83 178.64 1ubp n ARG 388 N -3.21 3.44 0.00 1.46 1.74 0.92 -5.08 116.66 115.94 1ubp n ARG 388 Ca -0.05 -0.02 0.00 0.00 -0.77 0.00 0.00 57.85 57.01 1ubp n ARG 388 Cb 0.94 -0.93 0.00 0.00 -1.02 0.00 0.00 32.46 31.45 1ubp n ARG 388 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1ubp n GLY 389 N 1.42 -1.41 3.56 -0.13 0.00 0.06 -4.90 105.19 103.79 1ubp n GLY 389 Ca 0.01 -1.57 -0.44 0.00 0.00 0.00 0.00 46.02 44.01 1ubp n GLY 389 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 1ubp n PRO 390 N -1.15 1.11 -0.89 1.61 -0.02 -1.26 -4.60 135.00 129.81 1ubp n PRO 390 Ca 0.00 0.39 -0.30 0.00 -2.02 0.00 0.00 63.50 61.57 1ubp n PRO 390 Cb 0.00 -1.73 0.15 0.00 -0.02 0.00 0.00 33.50 31.90 1ubp n PRO 390 CO 0.00 0.00 0.00 -0.51 1.98 0.00 0.00 175.50 176.97 1ubp s LEU 391 N 0.77 2.55 0.46 2.45 1.43 -1.26 -4.89 118.68 120.20 1ubp s LEU 391 Ca 0.60 1.92 0.25 0.00 -1.03 0.00 0.00 54.13 55.87 1ubp s LEU 391 Cb -0.70 -4.32 1.07 0.00 0.03 0.00 0.00 46.19 42.27 1ubp s LEU 391 CO 0.59 -2.92 1.89 0.00 0.23 0.00 0.00 176.35 176.15 1ubp h ALA 392 N -1.74 1.09 -0.00 4.21 0.00 -1.97 -2.63 119.26 118.22 1ubp h ALA 392 Ca -0.46 -0.18 0.00 0.00 0.00 0.00 0.00 54.91 54.26 1ubp h ALA 392 Cb 1.27 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 19.03 1ubp h ALA 392 CO 0.47 0.25 -0.03 0.39 0.00 0.00 0.00 179.25 180.33 1ubp n GLU 393 N -3.46 0.24 -1.02 0.00 4.71 -1.26 -4.84 120.64 115.01 1ubp n GLU 393 Ca -0.00 -0.01 -0.32 0.00 -0.01 0.00 0.00 57.16 56.81 1ubp n GLU 393 Cb 0.38 -1.50 0.13 0.00 -1.01 0.00 0.00 31.44 29.44 1ubp n GLU 393 CO 0.00 0.00 0.00 -1.21 0.09 0.00 0.00 177.13 176.01 1ubp s GLU 394 N -2.77 1.62 0.00 3.49 0.41 -0.99 -4.93 118.70 115.53 1ubp s GLU 394 Ca 0.21 1.48 -0.12 0.00 -0.41 0.00 0.00 54.97 56.13 1ubp s GLU 394 Cb 0.20 -1.80 0.01 0.00 -1.78 0.00 0.00 34.13 30.76 1ubp s GLU 394 CO 0.50 -2.17 0.25 -1.59 -0.49 0.00 0.00 175.26 171.76 1ubp s LYS 395 N -4.57 0.63 -1.64 1.61 -2.85 -1.26 -4.91 119.74 106.75 1ubp s LYS 395 Ca 0.67 -0.33 -0.18 0.00 -1.00 0.00 0.00 55.97 55.12 1ubp s LYS 395 Cb -0.22 0.27 0.16 0.00 -2.06 0.00 0.00 37.83 35.98 1ubp s LYS 395 CO 0.55 -0.17 0.70 -1.71 0.10 0.00 0.00 175.35 174.82 1ubp n ASN 396 N 1.19 -3.04 0.00 0.03 2.85 -1.26 -2.60 115.26 112.42 1ubp n ASN 396 Ca -0.21 -0.94 0.00 0.00 -0.11 0.00 0.00 54.58 53.32 1ubp n ASN 396 Cb 0.56 -2.52 0.00 0.00 1.24 0.00 0.00 39.78 39.07 1ubp n ASN 396 CO 0.00 0.00 0.00 0.61 -2.11 0.00 0.00 177.26 175.76 1ubp n GLY 397 N -1.27 0.38 3.99 8.20 0.00 -1.26 -5.05 105.19 110.19 1ubp n GLY 397 Ca 0.08 0.00 -0.19 0.00 0.00 0.00 0.00 46.02 45.91 1ubp n GLY 397 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1ubp s SER 398 N -2.03 5.48 -0.31 1.61 1.04 -1.07 -4.97 113.70 113.45 1ubp s SER 398 Ca 0.00 -0.22 0.09 0.00 0.48 0.00 0.00 55.95 56.30 1ubp s SER 398 Cb 0.00 -0.77 0.56 0.00 0.10 0.00 0.00 66.02 65.91 1ubp s SER 398 CO 0.00 -0.93 1.57 0.47 0.98 0.00 0.00 173.24 175.33 1ubp n ASP 399 N -2.08 3.13 -0.32 7.02 8.00 0.12 -4.49 116.55 127.93 1ubp n ASP 399 Ca 0.08 -3.58 0.01 0.00 0.71 0.00 0.00 54.79 52.01 1ubp n ASP 399 Cb 0.59 -0.67 0.19 0.00 -0.02 0.00 0.00 41.12 41.21 1ubp n ASP 399 CO 0.00 0.00 0.00 0.78 -0.39 0.00 0.00 177.20 177.59 1ubp h ASN 400 N 1.26 1.00 -0.19 -2.24 4.21 -1.94 0.10 115.58 117.78 1ubp h ASN 400 Ca 0.27 -0.01 -0.05 0.00 1.21 0.00 0.00 56.30 57.72 1ubp h ASN 400 Cb 1.92 -0.23 -0.01 0.00 -1.12 0.00 0.00 38.32 38.88 1ubp h ASN 400 CO 0.53 0.69 -0.07 0.15 -1.29 0.00 0.00 177.43 177.44 1ubp h PHE 401 N 1.16 0.44 -0.84 1.19 3.04 -1.91 -0.68 116.94 119.33 1ubp h PHE 401 Ca 0.37 -0.10 0.01 0.00 3.98 0.00 0.00 57.97 62.23 1ubp h PHE 401 Cb 0.01 -0.10 -0.04 0.00 2.56 0.00 0.00 35.95 38.38 1ubp h PHE 401 CO -0.00 0.66 0.55 -0.09 -2.02 0.00 0.00 178.31 177.41 1ubp h ARG 402 N 0.09 1.09 -0.65 1.11 2.43 -1.87 -0.24 114.38 116.33 1ubp h ARG 402 Ca 0.05 -0.07 -0.06 0.00 -0.81 0.00 0.00 59.98 59.09 1ubp h ARG 402 Cb 0.53 -0.25 -0.03 0.00 -0.42 0.00 0.00 29.97 29.81 1ubp h ARG 402 CO 0.02 0.72 0.15 -0.07 -1.51 0.00 0.00 179.97 179.28 1ubp h LEU 403 N 1.12 0.98 -0.38 3.80 3.38 -0.60 -0.13 115.31 123.48 1ubp h LEU 403 Ca 0.31 -0.20 -0.17 0.00 0.09 0.00 0.00 57.88 57.91 1ubp h LEU 403 Cb -0.10 -0.26 -0.00 0.00 0.09 0.00 0.00 40.66 40.39 1ubp h LEU 403 CO -0.08 0.95 -0.51 0.11 0.09 0.00 0.00 178.44 179.00 1ubp h LYS 404 N 0.98 0.81 -0.58 1.13 1.57 -0.66 0.34 116.57 120.17 1ubp h LYS 404 Ca 0.21 -0.49 0.02 0.00 -1.87 0.00 0.00 60.65 58.52 1ubp h LYS 404 Cb 0.36 0.05 -0.04 0.00 0.08 0.00 0.00 32.23 32.68 1ubp h LYS 404 CO 0.00 1.13 0.36 -0.09 -0.57 0.00 0.00 179.45 180.28 1ubp h ARG 405 N 0.63 0.68 0.12 3.15 2.43 -0.57 -2.51 114.38 118.33 1ubp h ARG 405 Ca 0.02 -0.04 -0.29 0.00 -0.81 0.00 0.00 59.98 58.86 1ubp h ARG 405 Cb 1.10 -0.15 -0.00 0.00 -0.42 0.00 0.00 29.97 30.50 1ubp h ARG 405 CO 0.11 0.45 -1.38 1.88 -1.51 0.00 0.00 179.97 179.53 1ubp h TYR 406 N 0.71 0.48 -0.07 2.20 -1.99 -0.92 -3.23 116.97 114.14 1ubp h TYR 406 Ca 0.23 -0.35 -0.04 0.00 2.00 0.00 0.00 58.73 60.57 1ubp h TYR 406 Cb 0.01 -0.02 -0.01 0.00 2.00 0.00 0.00 36.73 38.71 1ubp h TYR 406 CO -0.05 1.33 -0.14 -0.24 -0.00 0.00 0.00 178.16 179.05 1ubp h VAL 407 N 0.07 1.14 -0.00 -2.88 3.04 -0.91 -1.77 116.25 114.94 1ubp h VAL 407 Ca -0.18 -0.64 -0.04 0.00 -1.01 0.00 0.00 66.70 64.82 1ubp h VAL 407 Cb 2.00 1.25 -0.01 0.00 -2.01 0.00 0.00 31.29 32.51 1ubp h VAL 407 CO 0.19 0.19 -0.21 0.28 -1.01 0.00 0.00 177.57 177.01 1ubp h SER 408 N 0.10 0.00 0.21 3.17 0.02 -1.46 -2.87 113.55 112.72 1ubp h SER 408 Ca 0.02 -0.00 -0.03 0.00 -0.84 0.00 0.00 61.79 60.94 1ubp h SER 408 Cb 0.31 -0.00 -0.00 0.00 0.14 0.00 0.00 62.40 62.85 1ubp h SER 408 CO 0.02 0.21 -0.13 0.11 -1.14 0.00 0.00 176.83 175.90 1ubp h LYS 409 N 0.00 0.00 -0.01 3.45 1.57 -1.38 -1.74 116.57 118.46 1ubp h LYS 409 Ca -0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 1ubp h LYS 409 Cb 0.37 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.68 1ubp h LYS 409 CO 0.03 0.13 0.00 2.48 -0.57 0.00 0.00 179.45 181.51 1ubp n TYR 410 N -4.04 0.01 0.00 -1.35 0.18 -1.10 -1.27 117.16 109.59 1ubp n TYR 410 Ca -0.02 -0.35 0.00 0.00 1.88 0.00 0.00 57.90 59.40 1ubp n TYR 410 Cb 0.21 -0.03 0.00 0.00 -0.38 0.00 0.00 39.34 39.14 1ubp n TYR 410 CO 0.00 0.00 0.00 0.25 -2.08 0.00 0.00 176.86 175.03 1ubp n THR 411 N -0.32 0.00 0.06 -3.48 -2.24 -1.10 -0.64 114.28 106.57 1ubp n THR 411 Ca 0.00 0.00 -0.11 0.00 -2.27 0.00 0.00 64.05 61.68 1ubp n THR 411 Cb 0.19 -0.24 -0.00 0.00 -2.10 0.00 0.00 70.33 68.18 1ubp n THR 411 CO 0.00 0.00 0.00 -0.29 -0.57 0.00 0.00 175.07 174.21 1ubp h ILE 412 N 0.00 1.41 -0.28 2.28 6.09 -1.32 -3.19 117.51 122.49 1ubp h ILE 412 Ca 0.00 -2.33 -0.03 0.00 -1.37 0.00 0.00 64.86 61.13 1ubp h ILE 412 Cb 0.00 2.28 -0.01 0.00 0.47 0.00 0.00 36.82 39.56 1ubp h ILE 412 CO 0.00 0.69 0.05 0.78 -3.07 0.00 0.00 178.15 176.60 1ubp h ASN 413 N 0.23 0.45 -0.85 2.19 2.35 -1.61 -0.67 115.58 117.67 1ubp h ASN 413 Ca -0.05 -0.25 -0.01 0.00 -0.55 0.00 0.00 56.30 55.44 1ubp h ASN 413 Cb 1.43 -0.12 -0.04 0.00 0.05 0.00 0.00 38.32 39.64 1ubp h ASN 413 CO 0.14 0.59 0.50 -0.65 -1.65 0.00 0.00 177.43 176.36 1ubp h PRO 414 N 0.29 1.16 -0.77 0.81 0.11 -1.78 -0.61 132.00 131.21 1ubp h PRO 414 Ca 0.09 -0.11 -0.06 0.00 0.11 0.00 0.00 66.00 66.03 1ubp h PRO 414 Cb 0.33 -0.24 -0.03 0.00 0.11 0.00 0.00 31.00 31.16 1ubp h PRO 414 CO 0.00 0.82 0.26 0.00 -0.21 0.00 0.00 178.00 178.87 1ubp h ALA 415 N 1.38 1.01 -0.32 -0.75 0.00 -1.42 -1.85 119.26 117.30 1ubp h ALA 415 Ca 0.30 -0.22 -0.05 0.00 0.00 0.00 0.00 54.91 54.95 1ubp h ALA 415 Cb -0.03 -0.30 -0.01 0.00 0.00 0.00 0.00 17.79 17.45 1ubp h ALA 415 CO -0.06 0.67 0.01 0.82 0.00 0.00 0.00 179.25 180.69 1ubp h ILE 416 N 1.14 1.25 -0.83 0.00 2.04 -0.65 -0.54 117.51 119.93 1ubp h ILE 416 Ca 0.25 -0.93 0.01 0.00 1.00 0.00 0.00 64.86 65.19 1ubp h ILE 416 Cb 0.28 1.24 -0.04 0.00 -0.74 0.00 0.00 36.82 37.56 1ubp h ILE 416 CO -0.01 0.30 0.55 0.00 0.00 0.00 0.00 178.15 178.99 1ubp h ALA 417 N 0.85 1.42 0.00 1.87 0.00 -0.89 -2.26 119.26 120.25 1ubp h ALA 417 Ca 0.09 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 54.95 1ubp h ALA 417 Cb 0.43 -0.33 0.00 0.00 0.00 0.00 0.00 17.79 17.89 1ubp h ALA 417 CO 0.01 0.53 -0.19 0.94 0.00 0.00 0.00 179.25 180.54 1ubp n GLN 418 N -4.42 0.06 -2.07 0.00 -0.06 -0.72 -4.72 117.38 105.46 1ubp n GLN 418 Ca 0.10 0.04 -0.00 0.00 -2.00 0.00 0.00 57.00 55.13 1ubp n GLN 418 Cb 0.04 -1.56 0.00 0.00 -4.06 0.00 0.00 30.24 24.66 1ubp n GLN 418 CO 0.00 0.00 0.00 0.41 -0.20 0.00 0.00 177.06 177.27 1ubp n GLY 419 N 1.46 0.44 0.05 1.69 0.00 -0.85 -4.64 105.19 103.35 1ubp n GLY 419 Ca 0.06 -0.85 0.02 0.00 0.00 0.00 0.00 46.02 45.24 1ubp n GLY 419 CO 0.00 0.00 0.00 0.29 0.00 0.00 0.00 173.32 173.61 1ubp n ILE 420 N -3.79 0.82 0.60 -0.61 -5.35 -0.26 -1.42 119.36 109.34 1ubp n ILE 420 Ca -0.00 -0.88 0.09 0.00 -0.27 0.00 0.00 62.75 61.69 1ubp n ILE 420 Cb 0.50 0.50 0.40 0.00 -1.74 0.00 0.00 39.64 39.31 1ubp n ILE 420 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 1ubp n ALA 421 N -0.49 1.83 0.25 -1.28 0.00 -1.05 -1.42 120.51 118.35 1ubp n ALA 421 Ca 0.03 -0.04 0.13 0.00 0.00 0.00 0.00 53.44 53.56 1ubp n ALA 421 Cb 0.41 -1.32 0.56 0.00 0.00 0.00 0.00 19.45 19.10 1ubp n ALA 421 CO 0.00 0.00 0.00 1.12 0.00 0.00 0.00 177.50 178.62 1ubp h HIS 422 N 0.00 0.00 0.00 0.00 2.07 -1.90 -3.35 115.15 111.97 1ubp h HIS 422 Ca 0.00 0.00 -0.31 0.00 -2.85 0.00 0.00 60.37 57.21 1ubp h HIS 422 Cb 0.34 0.00 -0.05 0.00 2.57 0.00 0.00 27.41 30.27 1ubp h HIS 422 CO 0.00 0.12 -2.11 0.39 -3.07 0.00 0.00 177.93 173.25 1ubp n GLU 423 N -3.26 0.46 -4.03 5.12 -0.58 -0.51 -4.66 120.64 113.18 1ubp n GLU 423 Ca 0.00 0.15 -0.19 0.00 -0.42 0.00 0.00 57.16 56.70 1ubp n GLU 423 Cb 0.37 -1.31 -0.07 0.00 -0.57 0.00 0.00 31.44 29.86 1ubp n GLU 423 CO 0.00 0.00 0.00 1.33 -0.48 0.00 0.00 177.13 177.98 1ubp n VAL 424 N -3.44 0.00 0.00 2.62 0.24 -0.85 -0.38 118.33 116.52 1ubp n VAL 424 Ca -0.37 -2.12 0.00 0.00 -2.04 0.00 0.00 64.34 59.82 1ubp n VAL 424 Cb 0.83 0.93 0.00 0.00 -1.47 0.00 0.00 33.84 34.12 1ubp n VAL 424 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 1ubp n GLY 425 N -0.51 0.16 3.44 7.63 0.00 -1.26 -4.24 105.19 110.40 1ubp n GLY 425 Ca 0.01 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 45.92 1ubp n GLY 425 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1ubp s SER 426 N -2.06 -0.55 -1.04 1.61 1.04 -1.26 -1.79 113.70 109.65 1ubp s SER 426 Ca 0.00 -0.02 -0.17 0.00 0.48 0.00 0.00 55.95 56.24 1ubp s SER 426 Cb 0.00 0.60 0.14 0.00 0.10 0.00 0.00 66.02 66.86 1ubp s SER 426 CO 0.00 -0.97 1.26 -0.63 0.98 0.00 0.00 173.24 173.88 1ubp s ILE 427 N -3.73 4.80 0.05 -1.02 1.01 -1.26 -4.90 121.20 116.14 1ubp s ILE 427 Ca 0.02 -1.93 0.02 0.00 0.00 0.00 0.00 60.65 58.75 1ubp s ILE 427 Cb -0.01 -4.84 -0.03 0.00 0.01 0.00 0.00 42.46 37.59 1ubp s ILE 427 CO -0.12 -1.57 -0.07 -1.61 0.00 0.00 0.00 174.94 171.56 1ubp s GLU 428 N 2.40 0.57 0.28 2.79 2.02 -1.26 -4.97 118.70 120.53 1ubp s GLU 428 Ca 0.37 -0.85 -0.30 0.00 0.02 0.00 0.00 54.97 54.22 1ubp s GLU 428 Cb -0.04 -0.26 -0.11 0.00 0.10 0.00 0.00 34.13 33.82 1ubp s GLU 428 CO -0.06 0.04 1.51 -1.21 0.02 0.00 0.00 175.26 175.56 1ubp s GLU 429 N -1.94 4.19 0.00 1.61 2.02 -1.26 -2.41 118.70 120.90 1ubp s GLU 429 Ca -0.07 2.45 0.00 0.00 0.02 0.00 0.00 54.97 57.38 1ubp s GLU 429 Cb -0.08 -3.05 0.00 0.00 0.10 0.00 0.00 34.13 31.10 1ubp s GLU 429 CO -0.01 -0.52 0.00 0.41 0.02 0.00 0.00 175.26 175.16 1ubp n GLY 430 N 1.97 0.69 3.78 -1.39 0.00 0.70 -5.02 105.19 105.92 1ubp n GLY 430 Ca 0.07 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.82 1ubp n GLY 430 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1ubp s LYS 431 N -0.66 2.84 0.38 1.61 1.02 -1.01 -4.86 119.74 119.06 1ubp s LYS 431 Ca 0.00 -0.88 -0.27 0.00 0.02 0.00 0.00 55.97 54.84 1ubp s LYS 431 Cb 0.00 -2.62 -0.11 0.00 -0.52 0.00 0.00 37.83 34.58 1ubp s LYS 431 CO 0.00 0.49 1.28 0.34 -0.92 0.00 0.00 175.35 176.54 1ubp n PHE 432 N -0.24 2.22 -2.00 3.18 7.35 0.49 -0.11 117.46 128.36 1ubp n PHE 432 Ca -0.08 0.52 -0.42 0.00 -0.76 0.00 0.00 57.45 56.71 1ubp n PHE 432 Cb 0.54 -2.40 0.00 0.00 0.35 0.00 0.00 39.48 37.98 1ubp n PHE 432 CO 0.00 0.00 0.00 0.00 -0.76 0.00 0.00 176.76 176.00 1ubp n ALA 433 N 0.08 5.57 -2.72 3.13 0.00 -0.30 -4.64 120.51 121.63 1ubp n ALA 433 Ca 0.05 -4.07 -0.44 0.00 0.00 0.00 0.00 53.44 48.98 1ubp n ALA 433 Cb 0.38 -3.26 -0.08 0.00 0.00 0.00 0.00 19.45 16.48 1ubp n ALA 433 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 1ubp s ASP 434 N 2.02 6.14 -0.01 0.00 1.01 -1.26 -2.01 116.67 122.56 1ubp s ASP 434 Ca 0.44 -1.17 0.02 0.00 0.71 0.00 0.00 52.55 52.55 1ubp s ASP 434 Cb 0.12 -2.18 -0.00 0.00 1.01 0.00 0.00 42.92 41.87 1ubp s ASP 434 CO -0.05 -0.58 -0.06 -0.76 0.21 0.00 0.00 175.17 173.93 1ubp s LEU 435 N 1.67 1.97 -0.18 1.23 1.43 -0.54 -2.49 118.68 121.78 1ubp s LEU 435 Ca 0.05 -0.12 0.01 0.00 -1.03 0.00 0.00 54.13 53.04 1ubp s LEU 435 Cb -0.22 -0.34 0.02 0.00 0.03 0.00 0.00 46.19 45.68 1ubp s LEU 435 CO 0.08 0.07 -0.20 -0.69 0.23 0.00 0.00 176.35 175.84 1ubp s VAL 436 N -0.09 2.08 -0.08 -1.59 1.01 0.23 -0.49 120.40 121.46 1ubp s VAL 436 Ca 0.02 -0.94 -0.15 0.00 0.00 0.00 0.00 61.98 60.92 1ubp s VAL 436 Cb -0.03 -1.87 -0.05 0.00 0.00 0.00 0.00 36.38 34.43 1ubp s VAL 436 CO -0.00 0.54 0.37 -0.76 0.00 0.00 0.00 175.10 175.25 1ubp s LEU 437 N 1.27 4.37 -0.05 3.92 1.02 -0.02 -1.55 118.68 127.63 1ubp s LEU 437 Ca 0.04 0.77 0.04 0.00 0.02 0.00 0.00 54.13 55.01 1ubp s LEU 437 Cb -0.13 -2.51 -0.00 0.00 0.02 0.00 0.00 46.19 43.57 1ubp s LEU 437 CO -0.12 0.21 -0.17 0.26 0.02 0.00 0.00 176.35 176.54 1ubp s TRP 438 N -0.31 1.77 0.22 0.29 0.52 0.01 -0.84 118.94 120.60 1ubp s TRP 438 Ca 0.22 -0.55 -0.30 0.00 0.02 0.00 0.00 56.10 55.49 1ubp s TRP 438 Cb -0.15 -1.20 -0.09 0.00 -1.15 0.00 0.00 33.47 30.88 1ubp s TRP 438 CO 0.09 -0.20 1.22 -1.21 0.02 0.00 0.00 176.95 176.87 1ubp s GLU 439 N 0.15 4.48 0.37 4.98 2.02 -1.26 -1.07 118.70 128.35 1ubp s GLU 439 Ca -0.07 1.94 0.09 0.00 0.02 0.00 0.00 54.97 56.96 1ubp s GLU 439 Cb -0.13 -3.20 0.83 0.00 0.10 0.00 0.00 34.13 31.74 1ubp s GLU 439 CO 0.03 -0.08 1.89 -1.35 0.02 0.00 0.00 175.26 175.77 1ubp h PRO 440 N 4.77 0.65 0.00 0.39 0.11 -1.91 0.86 132.00 136.87 1ubp h PRO 440 Ca -0.45 -0.04 -0.02 0.00 0.11 0.00 0.00 66.00 65.60 1ubp h PRO 440 Cb 1.21 -0.15 -0.00 0.00 0.11 0.00 0.00 31.00 32.18 1ubp h PRO 440 CO 0.73 0.43 -0.09 1.57 -0.21 0.00 0.00 178.00 180.42 1ubp h LYS 441 N 0.67 0.00 -0.36 1.05 2.10 -1.88 -0.85 116.57 117.31 1ubp h LYS 441 Ca 0.41 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 59.06 1ubp h LYS 441 Cb 0.65 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.98 1ubp h LYS 441 CO -0.17 0.09 0.00 1.19 -2.00 0.00 0.00 179.45 178.56 1ubp n PHE 442 N -3.47 0.55 -1.69 0.07 3.72 0.18 -4.51 117.46 112.31 1ubp n PHE 442 Ca -0.02 -0.54 -0.45 0.00 -0.05 0.00 0.00 57.45 56.40 1ubp n PHE 442 Cb 0.23 -0.06 -0.04 0.00 -0.94 0.00 0.00 39.48 38.68 1ubp n PHE 442 CO 0.00 0.00 0.00 0.34 -0.05 0.00 0.00 176.76 177.05 1ubp n PHE 443 N 0.46 2.45 -0.17 1.38 7.35 -0.52 -1.01 117.46 127.40 1ubp n PHE 443 Ca 0.13 0.15 0.00 0.00 -0.76 0.00 0.00 57.45 56.97 1ubp n PHE 443 Cb 0.49 -2.61 0.00 0.00 0.35 0.00 0.00 39.48 37.71 1ubp n PHE 443 CO 0.00 0.00 0.00 0.41 -0.76 0.00 0.00 176.76 176.41 1ubp n GLY 444 N 3.71 2.65 0.11 7.13 0.00 -1.26 -4.41 105.19 113.12 1ubp n GLY 444 Ca 0.17 0.00 -0.03 0.00 0.00 0.00 0.00 46.02 46.16 1ubp n GLY 444 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 1ubp n VAL 445 N -2.00 0.52 -3.75 1.61 0.31 -0.18 -3.09 118.33 111.76 1ubp n VAL 445 Ca 0.00 0.35 -0.24 0.00 -0.01 0.00 0.00 64.34 64.44 1ubp n VAL 445 Cb 0.00 -1.75 -0.17 0.00 -0.91 0.00 0.00 33.84 31.00 1ubp n VAL 445 CO 0.00 0.00 0.00 -0.54 -1.32 0.00 0.00 176.83 174.97 1ubp s LYS 446 N -1.65 0.55 0.49 5.55 1.02 -1.01 -4.67 119.74 120.02 1ubp s LYS 446 Ca -0.09 -0.01 -0.24 0.00 0.02 0.00 0.00 55.97 55.65 1ubp s LYS 446 Cb 0.01 -1.27 -0.07 0.00 -0.52 0.00 0.00 37.83 35.99 1ubp s LYS 446 CO 0.14 -0.41 1.39 0.00 -0.92 0.00 0.00 175.35 175.55 1ubp s ALA 447 N 1.97 3.04 -0.06 5.17 0.00 -0.80 -4.78 121.76 126.30 1ubp s ALA 447 Ca 0.03 1.39 -0.05 0.00 0.00 0.00 0.00 51.96 53.34 1ubp s ALA 447 Cb -0.14 -3.57 -0.03 0.00 0.00 0.00 0.00 23.12 19.38 1ubp s ALA 447 CO -0.06 -1.26 0.24 0.22 0.00 0.00 0.00 175.76 174.89 1ubp h ASP 448 N 1.92 -0.14 -3.62 0.00 3.58 -1.35 -3.38 116.42 113.43 1ubp h ASP 448 Ca -0.51 0.00 -0.27 0.00 0.42 0.00 0.00 57.03 56.67 1ubp h ASP 448 Cb 1.28 0.04 -0.31 0.00 1.72 0.00 0.00 39.33 42.06 1ubp h ASP 448 CO 0.59 0.21 -0.73 -0.13 -2.88 0.00 0.00 179.24 176.31 1ubp s ARG 449 N -2.05 0.00 -0.26 0.28 0.52 -1.15 -1.10 118.95 115.20 1ubp s ARG 449 Ca -0.02 0.09 -0.04 0.00 -0.52 0.00 0.00 55.73 55.23 1ubp s ARG 449 Cb 0.00 -0.16 0.01 0.00 0.52 0.00 0.00 34.95 35.33 1ubp s ARG 449 CO 0.07 -0.09 0.01 0.08 0.02 0.00 0.00 175.30 175.39 1ubp s VAL 450 N 0.58 3.45 -0.16 3.52 1.01 0.26 -0.84 120.40 128.21 1ubp s VAL 450 Ca -0.05 -0.79 -0.16 0.00 0.00 0.00 0.00 61.98 60.98 1ubp s VAL 450 Cb -0.07 -2.74 -0.04 0.00 0.00 0.00 0.00 36.38 33.53 1ubp s VAL 450 CO -0.02 0.18 0.39 -0.63 0.00 0.00 0.00 175.10 175.03 1ubp s ILE 451 N 1.43 5.23 -0.18 2.22 1.01 0.36 -0.08 121.20 131.19 1ubp s ILE 451 Ca 0.02 0.74 0.01 0.00 0.00 0.00 0.00 60.65 61.42 1ubp s ILE 451 Cb -0.16 -3.73 0.04 0.00 0.01 0.00 0.00 42.46 38.61 1ubp s ILE 451 CO -0.01 0.32 -0.10 -0.54 0.00 0.00 0.00 174.94 174.61 1ubp s LYS 452 N 0.80 2.00 -1.53 2.79 -0.14 0.07 -1.46 119.74 122.27 1ubp s LYS 452 Ca 0.21 -0.72 -0.05 0.00 -1.36 0.00 0.00 55.97 54.05 1ubp s LYS 452 Cb -0.14 -2.28 0.01 0.00 -1.68 0.00 0.00 37.83 33.75 1ubp s LYS 452 CO 0.07 -0.38 0.51 0.41 -0.76 0.00 0.00 175.35 175.20 1ubp n GLY 453 N 4.73 -0.52 2.17 -3.33 0.00 -0.85 -1.57 105.19 105.82 1ubp n GLY 453 Ca -0.15 0.11 0.00 0.00 0.00 0.00 0.00 46.02 45.98 1ubp n GLY 453 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1ubp n GLY 454 N -1.40 0.77 3.05 -0.02 0.00 -0.86 -4.32 105.19 102.40 1ubp n GLY 454 Ca -0.12 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.69 1ubp n GLY 454 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1ubp s ILE 455 N -2.93 0.92 0.12 -0.61 -1.09 -0.61 -5.00 121.20 112.00 1ubp s ILE 455 Ca 0.00 -0.47 -0.31 0.00 -2.23 0.00 0.00 60.65 57.64 1ubp s ILE 455 Cb 0.00 -0.78 -0.09 0.00 -1.58 0.00 0.00 42.46 40.00 1ubp s ILE 455 CO 0.00 0.27 1.65 -0.63 -1.23 0.00 0.00 174.94 175.00 1ubp s ILE 456 N -0.08 2.76 -0.23 2.92 1.01 -1.26 -0.75 121.20 125.58 1ubp s ILE 456 Ca 0.01 0.38 0.06 0.00 0.00 0.00 0.00 60.65 61.11 1ubp s ILE 456 Cb -0.07 -3.25 -0.18 0.00 0.01 0.00 0.00 42.46 38.97 1ubp s ILE 456 CO 0.00 0.01 -0.13 0.00 0.00 0.00 0.00 174.94 174.82 1ubp n ALA 457 N 4.94 1.49 -2.95 9.38 0.00 0.89 -2.35 120.51 131.90 1ubp n ALA 457 Ca 0.15 -1.12 -0.12 0.00 0.00 0.00 0.00 53.44 52.35 1ubp n ALA 457 Cb 0.39 -0.10 -0.13 0.00 0.00 0.00 0.00 19.45 19.61 1ubp n ALA 457 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 177.50 177.03 1ubp s TYR 458 N -2.48 -0.09 -0.02 0.00 5.04 -1.09 -0.73 117.35 117.98 1ubp s TYR 458 Ca -0.26 0.21 -0.15 0.00 -2.44 0.00 0.00 57.07 54.43 1ubp s TYR 458 Cb 0.08 0.03 0.02 0.00 0.35 0.00 0.00 41.96 42.44 1ubp s TYR 458 CO 0.63 -0.04 0.32 0.00 -1.34 0.00 0.00 175.55 175.12 1ubp s ALA 459 N 0.04 -0.81 -0.51 3.97 0.00 -0.28 -0.57 121.76 123.61 1ubp s ALA 459 Ca -0.00 0.35 -0.24 0.00 0.00 0.00 0.00 51.96 52.07 1ubp s ALA 459 Cb -0.01 0.07 0.04 0.00 0.00 0.00 0.00 23.12 23.22 1ubp s ALA 459 CO 0.00 -0.26 0.91 -0.65 0.00 0.00 0.00 175.76 175.75 1ubp s GLN 460 N -1.31 3.39 0.04 0.00 -1.52 -0.25 -1.17 119.66 118.84 1ubp s GLN 460 Ca -0.13 -0.14 -0.12 0.00 -1.95 0.00 0.00 55.36 53.01 1ubp s GLN 460 Cb -0.05 -4.00 0.01 0.00 -0.22 0.00 0.00 33.01 28.75 1ubp s GLN 460 CO 0.04 -1.35 0.27 -1.50 -0.25 0.00 0.00 175.29 172.50 1ubp s ILE 461 N 3.76 0.09 0.00 1.08 2.07 -0.75 -4.84 121.20 122.62 1ubp s ILE 461 Ca 0.32 -0.75 0.00 0.00 -1.41 0.00 0.00 60.65 58.81 1ubp s ILE 461 Cb -0.12 -0.94 0.00 0.00 0.13 0.00 0.00 42.46 41.53 1ubp s ILE 461 CO 0.21 -0.41 0.00 0.61 -1.91 0.00 0.00 174.94 173.44 1ubp n GLY 462 N 0.59 1.49 3.67 1.50 0.00 0.12 -2.09 105.19 110.47 1ubp n GLY 462 Ca -0.19 -1.88 -0.56 0.00 0.00 0.00 0.00 46.02 43.40 1ubp n GLY 462 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 1ubp n ASP 463 N 0.00 2.43 0.10 1.61 2.03 -0.46 -4.85 116.55 117.42 1ubp n ASP 463 Ca 0.00 0.99 0.12 0.00 0.52 0.00 0.00 54.79 56.41 1ubp n ASP 463 Cb 0.00 -1.17 0.46 0.00 -0.72 0.00 0.00 41.12 39.69 1ubp n ASP 463 CO 0.00 0.00 0.00 -0.81 -1.92 0.00 0.00 177.20 174.47 1ubp n PRO 464 N 5.89 0.18 0.00 -0.67 -0.04 -1.26 -2.05 135.00 137.04 1ubp n PRO 464 Ca 0.28 0.34 0.12 0.00 -0.04 0.00 0.00 63.50 64.21 1ubp n PRO 464 Cb 0.15 -1.80 0.21 0.00 -0.04 0.00 0.00 33.50 32.02 1ubp n PRO 464 CO 0.00 0.00 0.00 -1.13 -0.04 0.00 0.00 175.50 174.33 1ubp n SER 465 N -2.12 2.05 -4.92 3.54 3.41 -1.26 -4.99 113.62 109.32 1ubp n SER 465 Ca 0.03 -1.55 -0.26 0.00 -0.26 0.00 0.00 58.87 56.82 1ubp n SER 465 Cb 0.27 0.16 0.07 0.00 -0.26 0.00 0.00 64.21 64.45 1ubp n SER 465 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1ubp s ALA 466 N -2.23 3.08 0.34 7.33 0.00 -0.87 -4.98 121.76 124.43 1ubp s ALA 466 Ca 0.27 -0.87 0.14 0.00 0.00 0.00 0.00 51.96 51.49 1ubp s ALA 466 Cb 0.20 -2.66 0.69 0.00 0.00 0.00 0.00 23.12 21.34 1ubp s ALA 466 CO 0.43 -1.34 1.79 0.66 0.00 0.00 0.00 175.76 177.30 1ubp h SER 467 N -0.65 0.00 -5.31 0.00 4.64 -1.94 -3.44 113.55 106.84 1ubp h SER 467 Ca -0.45 0.00 -0.14 0.00 -0.47 0.00 0.00 61.79 60.73 1ubp h SER 467 Cb 1.32 0.00 -0.15 0.00 -0.31 0.00 0.00 62.40 63.26 1ubp h SER 467 CO 0.61 0.41 -0.66 0.27 -0.87 0.00 0.00 176.83 176.59 1ubp s ILE 468 N -4.03 0.17 -1.37 0.95 -4.36 -1.26 -5.08 121.20 106.21 1ubp s ILE 468 Ca -0.02 -1.84 0.28 0.00 -0.26 0.00 0.00 60.65 58.81 1ubp s ILE 468 Cb 0.14 -1.73 0.32 0.00 1.25 0.00 0.00 42.46 42.44 1ubp s ILE 468 CO 0.72 -0.77 1.79 -2.65 0.24 0.00 0.00 174.94 174.27 1ubp n PRO 469 N 0.02 0.39 0.12 0.37 -0.02 -1.26 -4.24 135.00 130.39 1ubp n PRO 469 Ca -0.11 -0.13 0.12 0.00 -2.02 0.00 0.00 63.50 61.36 1ubp n PRO 469 Cb 0.62 -1.50 0.15 0.00 -0.02 0.00 0.00 33.50 32.76 1ubp n PRO 469 CO 0.00 0.00 0.00 1.79 1.98 0.00 0.00 175.50 179.27 1ubp h THR 470 N 0.32 0.00 -4.20 3.45 1.35 -1.91 0.34 112.91 112.27 1ubp h THR 470 Ca 0.00 -0.78 -0.52 0.00 -0.55 0.00 0.00 66.41 64.56 1ubp h THR 470 Cb 0.42 1.50 0.13 0.00 -1.73 0.00 0.00 68.15 68.47 1ubp h THR 470 CO 0.00 0.00 0.37 -2.84 -0.25 0.00 0.00 175.52 172.80 1ubp s PRO 471 N -3.23 2.39 0.59 4.72 0.02 -1.26 -4.73 135.00 133.51 1ubp s PRO 471 Ca 0.05 1.56 -0.18 0.00 0.02 0.00 0.00 61.00 62.45 1ubp s PRO 471 Cb 0.10 -1.88 -0.03 0.00 0.02 0.00 0.00 34.50 32.70 1ubp s PRO 471 CO 0.71 -1.60 1.13 -0.65 -0.33 0.00 0.00 177.00 176.27 1ubp s GLN 472 N -4.06 3.09 -0.20 5.54 -1.52 -1.26 -1.35 119.66 119.91 1ubp s GLN 472 Ca 0.70 1.56 -0.17 0.00 -1.95 0.00 0.00 55.36 55.50 1ubp s GLN 472 Cb -0.24 -1.97 -0.04 0.00 -0.22 0.00 0.00 33.01 30.54 1ubp s GLN 472 CO 0.44 -1.05 0.47 -1.25 -0.25 0.00 0.00 175.29 173.65 1ubp s PRO 473 N -3.58 4.19 -0.31 2.91 0.04 -1.26 -4.14 135.00 132.84 1ubp s PRO 473 Ca 0.71 0.33 -0.28 0.00 0.04 0.00 0.00 61.00 61.80 1ubp s PRO 473 Cb -0.23 -3.55 0.01 0.00 0.04 0.00 0.00 34.50 30.77 1ubp s PRO 473 CO 0.33 -0.10 1.00 0.08 0.04 0.00 0.00 177.00 178.35 1ubp s VAL 474 N 1.47 4.59 0.14 -0.36 1.01 -1.26 -3.87 120.40 122.13 1ubp s VAL 474 Ca 0.22 1.61 -0.09 0.00 0.00 0.00 0.00 61.98 63.73 1ubp s VAL 474 Cb -0.15 -4.34 -0.01 0.00 0.00 0.00 0.00 36.38 31.88 1ubp s VAL 474 CO 0.09 -0.40 0.26 0.00 0.00 0.00 0.00 175.10 175.05 1ubp s MET 475 N 3.44 1.07 0.06 2.72 0.23 -0.89 -4.85 119.30 121.08 1ubp s MET 475 Ca 0.42 -1.11 -0.31 0.00 -1.03 0.00 0.00 55.69 53.66 1ubp s MET 475 Cb -0.13 0.37 -0.06 0.00 -1.53 0.00 0.00 34.83 33.47 1ubp s MET 475 CO 0.14 -0.38 1.33 0.20 -2.03 0.00 0.00 175.02 174.28 1ubp s GLY 476 N -2.94 2.07 0.01 3.16 0.00 -1.26 -1.80 107.32 106.56 1ubp s GLY 476 Ca 0.14 0.95 0.00 0.00 0.00 0.00 0.00 44.72 45.81 1ubp s GLY 476 CO -0.03 2.29 -0.02 0.50 0.00 0.00 0.00 173.10 175.85 1ubp s ARG 477 N 1.49 0.14 0.30 2.90 0.52 -0.31 -4.98 118.95 119.00 1ubp s ARG 477 Ca 0.62 -0.18 -0.29 0.00 -0.52 0.00 0.00 55.73 55.36 1ubp s ARG 477 Cb -0.33 -0.03 -0.10 0.00 0.52 0.00 0.00 34.95 35.01 1ubp s ARG 477 CO 0.29 0.00 1.28 1.03 0.02 0.00 0.00 175.30 177.92 1ubp s ARG 478 N -0.39 4.40 0.09 3.54 0.52 -1.26 -1.12 118.95 124.71 1ubp s ARG 478 Ca -0.04 2.14 0.01 0.00 -0.52 0.00 0.00 55.73 57.32 1ubp s ARG 478 Cb -0.03 -3.11 0.01 0.00 0.52 0.00 0.00 34.95 32.34 1ubp s ARG 478 CO -0.00 -0.15 0.07 -1.33 0.02 0.00 0.00 175.30 173.91 1ubp n MET 479 N 1.16 1.35 0.30 3.54 2.81 0.09 -4.91 117.12 121.46 1ubp n MET 479 Ca 0.01 -0.53 0.20 0.00 -1.81 0.00 0.00 57.70 55.56 1ubp n MET 479 Cb 0.42 0.05 0.95 0.00 -0.71 0.00 0.00 33.22 33.94 1ubp n MET 479 CO 0.00 0.00 0.00 1.88 1.51 0.00 0.00 175.97 179.36 1ubp h TYR 480 N 0.51 0.00 0.00 2.03 0.05 -1.86 -1.98 116.97 115.71 1ubp h TYR 480 Ca -0.05 0.00 -0.01 0.00 0.05 0.00 0.00 58.73 58.72 1ubp h TYR 480 Cb 0.20 0.00 -0.00 0.00 1.01 0.00 0.00 36.73 37.94 1ubp h TYR 480 CO 0.00 0.00 -0.04 0.78 -1.05 0.00 0.00 178.16 177.85 1ubp h GLY 481 N 0.89 0.00 -0.09 3.88 0.00 -1.76 -2.37 103.07 103.62 1ubp h GLY 481 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 1ubp h GLY 481 CO 0.00 0.00 -0.25 -1.30 0.00 0.00 0.00 176.54 174.99 1ubp n THR 482 N -3.60 0.00 -3.86 4.70 -2.24 -0.75 -2.64 114.28 105.89 1ubp n THR 482 Ca -0.02 -0.17 -0.32 0.00 -2.27 0.00 0.00 64.05 61.26 1ubp n THR 482 Cb 0.14 0.57 -0.05 0.00 -2.10 0.00 0.00 70.33 68.90 1ubp n THR 482 CO 0.00 0.00 0.00 -0.69 -0.57 0.00 0.00 175.07 173.81 1ubp s VAL 483 N -2.43 5.37 0.00 2.28 1.01 -0.89 -4.58 120.40 121.16 1ubp s VAL 483 Ca 0.25 -0.17 0.00 0.00 0.00 0.00 0.00 61.98 62.06 1ubp s VAL 483 Cb 0.19 -3.59 0.00 0.00 0.00 0.00 0.00 36.38 32.99 1ubp s VAL 483 CO 0.50 0.23 0.00 0.61 0.00 0.00 0.00 175.10 176.44 1ubp n GLY 484 N 0.63 2.39 0.12 4.51 0.00 -1.26 -2.36 105.19 109.23 1ubp n GLY 484 Ca -0.08 -0.40 0.14 0.00 0.00 0.00 0.00 46.02 45.68 1ubp n GLY 484 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1ubp n ASP 485 N -0.21 0.46 0.28 1.61 8.00 -1.26 -3.62 116.55 121.80 1ubp n ASP 485 Ca 0.00 -0.67 0.17 0.00 0.71 0.00 0.00 54.79 55.01 1ubp n ASP 485 Cb 0.00 -0.07 0.70 0.00 -0.02 0.00 0.00 41.12 41.73 1ubp n ASP 485 CO 0.00 0.00 0.00 0.25 -0.39 0.00 0.00 177.20 177.06 1ubp h LEU 486 N 0.59 0.00 -2.10 0.64 5.85 -1.75 -1.08 115.31 117.46 1ubp h LEU 486 Ca 0.00 0.00 -0.01 0.00 0.84 0.00 0.00 57.88 58.71 1ubp h LEU 486 Cb 0.32 0.00 -0.00 0.00 0.37 0.00 0.00 40.66 41.35 1ubp h LEU 486 CO 0.00 0.01 -0.06 -0.29 -0.34 0.00 0.00 178.44 177.76 1ubp h ILE 487 N 0.00 0.72 0.02 4.05 2.10 -1.57 -1.94 117.51 120.90 1ubp h ILE 487 Ca -0.00 -0.25 -0.23 0.00 1.08 0.00 0.00 64.86 65.46 1ubp h ILE 487 Cb 0.50 1.15 0.00 0.00 -1.09 0.00 0.00 36.82 37.38 1ubp h ILE 487 CO 0.00 0.06 -0.98 0.45 -1.08 0.00 0.00 178.15 176.61 1ubp h HIS 488 N 0.00 0.55 0.00 2.19 3.86 -1.45 -3.28 115.15 117.01 1ubp h HIS 488 Ca -0.00 -0.31 0.00 0.00 -1.16 0.00 0.00 60.37 58.90 1ubp h HIS 488 Cb 0.14 -0.06 0.00 0.00 1.06 0.00 0.00 27.41 28.56 1ubp h HIS 488 CO 0.00 1.15 -0.53 -0.25 0.86 0.00 0.00 177.93 179.15 1ubp n ASP 489 N -3.70 0.67 -0.62 2.45 9.92 -0.77 -2.52 116.55 121.98 1ubp n ASP 489 Ca -0.07 0.14 0.11 0.00 -0.53 0.00 0.00 54.79 54.44 1ubp n ASP 489 Cb 0.86 0.05 0.03 0.00 -0.64 0.00 0.00 41.12 41.42 1ubp n ASP 489 CO 0.00 0.00 0.00 0.35 0.13 0.00 0.00 177.20 177.68 1ubp n THR 490 N -2.05 0.00 -4.15 -3.53 -2.24 -0.97 -4.86 114.28 96.48 1ubp n THR 490 Ca 0.04 -0.36 -0.16 0.00 -2.27 0.00 0.00 64.05 61.29 1ubp n THR 490 Cb 0.43 1.32 -0.12 0.00 -2.10 0.00 0.00 70.33 69.86 1ubp n THR 490 CO 0.00 0.00 0.00 0.20 -0.57 0.00 0.00 175.07 174.70 1ubp s ASN 491 N -2.14 1.47 -0.11 3.42 0.01 -1.24 -3.41 114.94 112.95 1ubp s ASN 491 Ca 0.20 -0.65 0.01 0.00 -0.71 0.00 0.00 52.86 51.71 1ubp s ASN 491 Cb 0.17 -0.02 -0.02 0.00 0.41 0.00 0.00 41.25 41.80 1ubp s ASN 491 CO 0.43 -0.15 -0.13 -0.63 -1.51 0.00 0.00 177.10 175.11 1ubp s ILE 492 N -1.59 3.07 -0.35 0.60 1.01 -1.26 -2.59 121.20 120.09 1ubp s ILE 492 Ca -0.02 -0.67 -0.14 0.00 0.00 0.00 0.00 60.65 59.82 1ubp s ILE 492 Cb -0.08 -2.26 -0.01 0.00 0.01 0.00 0.00 42.46 40.11 1ubp s ILE 492 CO 0.01 0.54 0.28 -0.89 0.00 0.00 0.00 174.94 174.89 1ubp s THR 493 N 0.02 5.25 -0.10 2.92 2.01 0.42 -1.55 115.64 124.61 1ubp s THR 493 Ca -0.04 -0.19 -0.22 0.00 0.31 0.00 0.00 61.69 61.55 1ubp s THR 493 Cb -0.14 -3.77 -0.03 0.00 0.01 0.00 0.00 72.50 68.56 1ubp s THR 493 CO 0.04 -0.07 0.66 -0.36 -0.69 0.00 0.00 174.62 174.20 1ubp s PHE 494 N 1.81 3.53 0.11 4.92 0.08 0.13 -1.01 117.98 127.54 1ubp s PHE 494 Ca 0.08 1.14 0.01 0.00 0.12 0.00 0.00 56.93 58.28 1ubp s PHE 494 Cb -0.17 -2.77 -0.04 0.00 -0.57 0.00 0.00 43.02 39.47 1ubp s PHE 494 CO 0.11 0.05 -0.04 -1.64 -0.10 0.00 0.00 175.22 173.60 1ubp s MET 495 N 0.98 0.86 0.74 0.44 -1.94 -0.05 -4.41 119.30 115.91 1ubp s MET 495 Ca 0.34 -1.36 -0.13 0.00 -1.71 0.00 0.00 55.69 52.83 1ubp s MET 495 Cb -0.17 -0.12 0.05 0.00 2.01 0.00 0.00 34.83 36.60 1ubp s MET 495 CO 0.15 -0.07 1.14 -1.54 -0.01 0.00 0.00 175.02 174.69 1ubp s SER 496 N -3.05 4.37 0.25 3.03 1.04 -1.07 -1.74 113.70 116.52 1ubp s SER 496 Ca 0.14 2.10 -0.06 0.00 0.48 0.00 0.00 55.95 58.62 1ubp s SER 496 Cb 0.06 -2.56 0.29 0.00 0.10 0.00 0.00 66.02 63.91 1ubp s SER 496 CO -0.03 -2.14 1.90 0.11 0.98 0.00 0.00 173.24 174.06 1ubp h LYS 497 N -0.60 1.17 -0.44 4.02 1.57 -1.80 -2.56 116.57 117.92 1ubp h LYS 497 Ca -0.46 -0.07 -0.11 0.00 -1.87 0.00 0.00 60.65 58.14 1ubp h LYS 497 Cb 1.26 -0.26 -0.02 0.00 0.08 0.00 0.00 32.23 33.29 1ubp h LYS 497 CO 0.50 0.77 -0.18 0.66 -0.57 0.00 0.00 179.45 180.63 1ubp h SER 498 N 1.20 0.85 -0.34 0.86 4.64 -1.88 -1.16 113.55 117.73 1ubp h SER 498 Ca 0.37 -0.29 -0.08 0.00 -0.47 0.00 0.00 61.79 61.32 1ubp h SER 498 Cb -0.02 -0.23 -0.02 0.00 -0.31 0.00 0.00 62.40 61.82 1ubp h SER 498 CO -0.12 1.02 -0.05 0.77 -0.87 0.00 0.00 176.83 177.59 1ubp h SER 499 N 0.74 0.72 -0.30 4.97 4.64 -1.64 0.55 113.55 123.24 1ubp h SER 499 Ca 0.11 -0.19 -0.06 0.00 -0.47 0.00 0.00 61.79 61.18 1ubp h SER 499 Cb 0.70 -0.19 -0.01 0.00 -0.31 0.00 0.00 62.40 62.59 1ubp h SER 499 CO 0.05 0.82 -0.04 0.40 -0.87 0.00 0.00 176.83 177.19 1ubp h ILE 500 N 0.69 1.27 0.00 0.95 2.04 -1.33 -1.20 117.51 119.92 1ubp h ILE 500 Ca 0.13 -1.03 -0.07 0.00 1.00 0.00 0.00 64.86 64.89 1ubp h ILE 500 Cb 0.50 1.34 -0.01 0.00 -0.74 0.00 0.00 36.82 37.90 1ubp h ILE 500 CO 0.03 0.33 -0.31 -0.61 0.00 0.00 0.00 178.15 177.58 1ubp h GLN 501 N 0.34 0.00 -0.14 2.37 4.15 -0.83 -1.81 115.11 119.18 1ubp h GLN 501 Ca 0.08 0.00 0.00 0.00 0.77 0.00 0.00 58.65 59.50 1ubp h GLN 501 Cb 0.50 0.00 0.00 0.00 0.21 0.00 0.00 27.48 28.19 1ubp h GLN 501 CO 0.02 0.31 0.00 1.04 -1.93 0.00 0.00 178.83 178.28 1ubp n GLN 502 N -4.02 1.54 -2.13 1.69 6.02 0.15 -4.92 117.38 115.72 1ubp n GLN 502 Ca -0.02 -0.82 -0.06 0.00 -0.01 0.00 0.00 57.00 56.09 1ubp n GLN 502 Cb 0.37 -1.34 -0.00 0.00 1.02 0.00 0.00 30.24 30.29 1ubp n GLN 502 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 1ubp n GLY 503 N 1.02 0.12 0.29 1.08 0.00 -0.68 -4.96 105.19 102.06 1ubp n GLY 503 Ca 0.14 -0.62 -0.02 0.00 0.00 0.00 0.00 46.02 45.52 1ubp n GLY 503 CO 0.00 0.00 0.00 -2.08 0.00 0.00 0.00 173.32 171.24 1ubp h VAL 504 N -0.02 1.08 -0.36 1.61 2.07 -1.44 -1.57 116.25 117.62 1ubp h VAL 504 Ca -0.15 -0.31 0.06 0.00 0.82 0.00 0.00 66.70 67.13 1ubp h VAL 504 Cb 1.11 0.11 -0.06 0.00 -1.52 0.00 0.00 31.29 30.93 1ubp h VAL 504 CO 0.17 0.16 0.02 -0.65 0.02 0.00 0.00 177.57 177.29 1ubp h PRO 505 N 0.90 0.12 -0.60 1.57 0.11 -1.90 -0.47 132.00 131.73 1ubp h PRO 505 Ca 0.31 -0.01 -0.10 0.00 0.11 0.00 0.00 66.00 66.31 1ubp h PRO 505 Cb 0.05 -0.03 -0.02 0.00 0.11 0.00 0.00 31.00 31.11 1ubp h PRO 505 CO -0.13 0.08 -0.01 0.00 -0.21 0.00 0.00 178.00 177.73 1ubp h ALA 506 N 1.31 0.81 -0.49 -0.75 0.00 -1.80 0.28 119.26 118.62 1ubp h ALA 506 Ca 0.18 -0.32 0.06 0.00 0.00 0.00 0.00 54.91 54.83 1ubp h ALA 506 Cb 0.24 -0.22 -0.05 0.00 0.00 0.00 0.00 17.79 17.76 1ubp h ALA 506 CO -0.28 0.66 0.20 -0.22 0.00 0.00 0.00 179.25 179.61 1ubp h LYS 507 N 0.96 0.38 -0.01 0.00 3.64 -0.68 -2.61 116.57 118.27 1ubp h LYS 507 Ca 0.17 -0.02 0.00 0.00 -1.27 0.00 0.00 60.65 59.53 1ubp h LYS 507 Cb 0.58 -0.09 0.00 0.00 -0.41 0.00 0.00 32.23 32.31 1ubp h LYS 507 CO 0.03 0.25 -0.24 1.28 -2.27 0.00 0.00 179.45 178.51 1ubp n LEU 508 N -4.97 0.78 -1.05 5.20 4.77 -0.24 -4.96 117.00 116.54 1ubp n LEU 508 Ca 0.05 -0.13 -0.08 0.00 -0.03 0.00 0.00 56.01 55.81 1ubp n LEU 508 Cb 0.17 -0.16 0.00 0.00 -2.33 0.00 0.00 43.42 41.10 1ubp n LEU 508 CO 0.26 0.15 -0.05 0.61 -1.33 0.00 0.00 177.39 177.03 1ubp n GLY 509 N 1.35 0.14 3.71 -0.72 0.00 -0.36 -4.97 105.19 104.35 1ubp n GLY 509 Ca 0.12 -0.51 -0.42 0.00 0.00 0.00 0.00 46.02 45.20 1ubp n GLY 509 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1ubp s LEU 510 N -2.45 4.36 -0.00 0.99 1.43 -0.06 -4.91 118.68 118.04 1ubp s LEU 510 Ca 0.05 2.20 0.14 0.00 -1.03 0.00 0.00 54.13 55.49 1ubp s LEU 510 Cb -0.02 -3.58 -0.16 0.00 0.03 0.00 0.00 46.19 42.46 1ubp s LEU 510 CO 0.06 -0.63 0.57 0.29 0.23 0.00 0.00 176.35 176.88 1ubp n LYS 511 N 4.30 2.23 -1.36 1.70 4.76 -1.26 -4.77 118.16 123.76 1ubp n LYS 511 Ca 0.11 -0.01 -0.32 0.00 -2.87 0.00 0.00 58.31 55.22 1ubp n LYS 511 Cb 0.44 -1.17 0.09 0.00 -1.84 0.00 0.00 35.03 32.54 1ubp n LYS 511 CO 0.00 0.00 0.00 1.03 -1.37 0.00 0.00 177.40 177.06 1ubp s ARG 512 N -2.37 2.21 0.24 1.97 0.52 -1.26 -4.69 118.95 115.56 1ubp s ARG 512 Ca 0.05 1.42 -0.31 0.00 -0.52 0.00 0.00 55.73 56.36 1ubp s ARG 512 Cb 0.10 -1.87 -0.13 0.00 0.52 0.00 0.00 34.95 33.57 1ubp s ARG 512 CO 0.58 -1.71 1.39 0.54 0.02 0.00 0.00 175.30 176.11 1ubp n ARG 513 N -3.12 1.98 -3.79 3.54 1.74 -1.05 -4.83 116.66 111.13 1ubp n ARG 513 Ca 0.11 0.70 -0.36 0.00 -0.77 0.00 0.00 57.85 57.53 1ubp n ARG 513 Cb 0.52 -2.35 -0.12 0.00 -1.02 0.00 0.00 32.46 29.49 1ubp n ARG 513 CO 0.00 0.00 0.00 0.42 -1.52 0.00 0.00 177.63 176.53 1ubp s ILE 514 N -0.09 4.41 -0.07 0.55 -1.09 -1.26 -0.44 121.20 123.20 1ubp s ILE 514 Ca 0.68 -0.14 -0.03 0.00 -2.23 0.00 0.00 60.65 58.93 1ubp s ILE 514 Cb -0.66 -3.05 -0.04 0.00 -1.58 0.00 0.00 42.46 37.13 1ubp s ILE 514 CO 0.50 0.35 0.08 -0.83 -1.23 0.00 0.00 174.94 173.81 1ubp s GLY 515 N 1.46 2.01 -0.22 6.18 0.00 -0.18 -4.94 107.32 111.63 1ubp s GLY 515 Ca 0.06 -0.77 -0.13 0.00 0.00 0.00 0.00 44.72 43.89 1ubp s GLY 515 CO 0.04 -0.56 0.25 -1.59 0.00 0.00 0.00 173.10 171.24 1ubp s THR 516 N -1.03 5.30 -0.14 0.90 2.01 -1.26 -0.87 115.64 120.54 1ubp s THR 516 Ca 0.17 0.38 -0.29 0.00 0.31 0.00 0.00 61.69 62.26 1ubp s THR 516 Cb -0.12 -3.58 -0.01 0.00 0.01 0.00 0.00 72.50 68.80 1ubp s THR 516 CO 0.07 0.32 1.07 -0.69 -0.69 0.00 0.00 174.62 174.69 1ubp s VAL 517 N 1.07 4.63 0.16 3.82 1.01 -0.71 -4.79 120.40 125.60 1ubp s VAL 517 Ca 0.12 1.93 -0.18 0.00 0.00 0.00 0.00 61.98 63.86 1ubp s VAL 517 Cb -0.14 -4.24 0.04 0.00 0.00 0.00 0.00 36.38 32.04 1ubp s VAL 517 CO 0.05 -0.07 0.48 -1.59 0.00 0.00 0.00 175.10 173.98 1ubp s LYS 518 N 2.56 1.23 -1.07 2.72 -2.85 -0.51 -4.27 119.74 117.55 1ubp s LYS 518 Ca 0.49 -0.73 -0.02 0.00 -1.00 0.00 0.00 55.97 54.71 1ubp s LYS 518 Cb -0.18 0.51 -0.02 0.00 -2.06 0.00 0.00 37.83 36.08 1ubp s LYS 518 CO 0.14 -0.51 0.91 0.09 0.10 0.00 0.00 175.35 176.08 1ubp n ASN 519 N -0.30 -3.33 -0.00 0.03 5.03 -1.26 -4.41 115.26 111.02 1ubp n ASN 519 Ca -0.14 -0.60 0.04 0.00 0.87 0.00 0.00 54.58 54.75 1ubp n ASN 519 Cb 0.63 -4.82 -0.05 0.00 -1.02 0.00 0.00 39.78 34.52 1ubp n ASN 519 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.26 175.43 1ubp n ARG 521 N -1.24 1.19 -0.58 0.00 5.12 -1.26 -4.48 116.66 115.41 1ubp n ARG 521 Ca 0.02 -0.00 0.02 0.00 -1.93 0.00 0.00 57.85 55.95 1ubp n ARG 521 Cb 0.14 -1.33 0.21 0.00 -1.16 0.00 0.00 32.46 30.32 1ubp n ARG 521 CO 0.00 0.00 0.00 0.27 -1.93 0.00 0.00 177.63 175.97 1ubp n ASN 522 N -1.41 2.78 -4.80 0.55 6.94 -1.26 -4.66 115.26 113.39 1ubp n ASN 522 Ca 0.03 -3.48 -0.23 0.00 -0.02 0.00 0.00 54.58 50.88 1ubp n ASN 522 Cb 0.27 -0.57 -0.05 0.00 -2.36 0.00 0.00 39.78 37.07 1ubp n ASN 522 CO 0.00 0.00 0.00 0.27 -1.03 0.00 0.00 177.26 176.50 1ubp s ILE 523 N -3.08 2.38 0.00 1.53 -4.36 -1.26 -5.12 121.20 111.29 1ubp s ILE 523 Ca 0.42 -1.55 0.00 0.00 -0.26 0.00 0.00 60.65 59.26 1ubp s ILE 523 Cb 0.37 -2.93 0.00 0.00 1.25 0.00 0.00 42.46 41.15 1ubp s ILE 523 CO 0.02 0.00 0.00 0.61 0.24 0.00 0.00 174.94 175.81 1ubp n GLY 524 N -1.40 2.29 0.36 6.27 0.00 -1.26 -4.82 105.19 106.64 1ubp n GLY 524 Ca 0.00 -0.98 0.08 0.00 0.00 0.00 0.00 46.02 45.13 1ubp n GLY 524 CO 0.00 0.00 0.00 1.70 0.00 0.00 0.00 173.32 175.02 1ubp h LYS 525 N 0.00 0.75 -0.00 1.61 1.63 -1.01 -1.40 116.57 118.15 1ubp h LYS 525 Ca 0.00 -0.05 0.00 0.00 -0.85 0.00 0.00 60.65 59.76 1ubp h LYS 525 Cb 0.00 -0.17 -0.00 0.00 -0.60 0.00 0.00 32.23 31.46 1ubp h LYS 525 CO 0.00 0.50 0.05 1.57 -3.45 0.00 0.00 179.45 178.11 1ubp h LYS 526 N 0.77 0.00 -0.01 1.90 2.10 -1.81 -2.10 116.57 117.42 1ubp h LYS 526 Ca 0.36 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 59.01 1ubp h LYS 526 Cb 0.39 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.72 1ubp h LYS 526 CO -0.14 0.00 -0.02 -0.25 -2.00 0.00 0.00 179.45 177.04 1ubp n ASP 527 N -3.07 1.29 -4.57 7.07 8.00 -0.53 -4.80 116.55 119.94 1ubp n ASP 527 Ca -0.03 -1.38 -0.43 0.00 0.71 0.00 0.00 54.79 53.66 1ubp n ASP 527 Cb 0.11 0.01 -0.05 0.00 -0.02 0.00 0.00 41.12 41.18 1ubp n ASP 527 CO 0.00 0.00 0.00 -0.04 -0.39 0.00 0.00 177.20 176.77 1ubp s MET 528 N -2.05 3.57 0.10 -1.24 -1.94 -0.79 -4.99 119.30 111.97 1ubp s MET 528 Ca 0.38 0.16 -0.32 0.00 -1.71 0.00 0.00 55.69 54.20 1ubp s MET 528 Cb 0.21 -3.90 -0.11 0.00 2.01 0.00 0.00 34.83 33.04 1ubp s MET 528 CO 0.36 -1.10 1.81 1.63 -0.01 0.00 0.00 175.02 177.71 1ubp n LYS 529 N 6.87 2.64 -0.87 2.03 4.76 -1.26 -2.33 118.16 130.00 1ubp n LYS 529 Ca 0.05 0.96 0.00 0.00 -2.87 0.00 0.00 58.31 56.45 1ubp n LYS 529 Cb 0.48 -2.83 0.00 0.00 -1.84 0.00 0.00 35.03 30.84 1ubp n LYS 529 CO 0.00 0.00 0.00 0.91 -1.37 0.00 0.00 177.40 176.94 1ubp n TRP 530 N 5.47 0.00 -2.91 2.13 7.02 -1.26 -4.77 117.44 123.13 1ubp n TRP 530 Ca 0.18 0.00 -0.12 0.00 -1.02 0.00 0.00 57.50 56.54 1ubp n TRP 530 Cb 0.35 -1.48 0.04 0.00 -2.42 0.00 0.00 31.31 27.80 1ubp n TRP 530 CO 0.00 0.00 0.00 0.09 -2.02 0.00 0.00 177.69 175.76 1ubp n ASN 531 N -0.54 -0.49 -0.34 -0.99 3.02 -0.98 -4.68 115.26 110.26 1ubp n ASN 531 Ca 0.00 -3.15 0.08 0.00 -0.03 0.00 0.00 54.58 51.48 1ubp n ASN 531 Cb 0.27 0.45 0.17 0.00 -0.61 0.00 0.00 39.78 40.07 1ubp n ASN 531 CO 0.00 0.00 0.00 -0.90 -2.62 0.00 0.00 177.26 173.74 1ubp n ASP 532 N 0.16 2.19 -4.70 6.41 5.75 -1.15 -4.55 116.55 120.68 1ubp n ASP 532 Ca 0.13 -3.41 -0.41 0.00 -0.01 0.00 0.00 54.79 51.09 1ubp n ASP 532 Cb 0.72 -0.48 -0.04 0.00 -1.03 0.00 0.00 41.12 40.29 1ubp n ASP 532 CO 0.00 0.00 0.00 -0.69 -0.11 0.00 0.00 177.20 176.40 1ubp s VAL 533 N -3.02 4.90 -0.09 2.12 1.01 -1.11 -4.41 120.40 119.81 1ubp s VAL 533 Ca 0.35 1.81 -0.00 0.00 0.00 0.00 0.00 61.98 64.14 1ubp s VAL 533 Cb 0.32 -4.21 -0.03 0.00 0.00 0.00 0.00 36.38 32.46 1ubp s VAL 533 CO -0.00 0.12 -0.07 0.42 0.00 0.00 0.00 175.10 175.57 1ubp s THR 534 N 1.41 3.66 0.19 3.92 -4.23 -1.26 -4.68 115.64 114.65 1ubp s THR 534 Ca 0.45 -0.48 -0.24 0.00 -1.18 0.00 0.00 61.69 60.24 1ubp s THR 534 Cb -0.19 -2.52 0.05 0.00 1.34 0.00 0.00 72.50 71.18 1ubp s THR 534 CO 0.20 0.57 0.82 0.28 -0.54 0.00 0.00 174.62 175.95 1ubp s THR 535 N -0.44 0.00 -0.52 3.99 -1.32 -0.94 -5.05 115.64 111.37 1ubp s THR 535 Ca 0.06 -0.67 -0.21 0.00 -1.21 0.00 0.00 61.69 59.66 1ubp s THR 535 Cb -0.12 -1.80 0.05 0.00 -1.51 0.00 0.00 72.50 69.11 1ubp s THR 535 CO 0.02 0.00 0.73 -0.62 -2.21 0.00 0.00 174.62 172.54 1ubp s ASP 536 N -2.87 6.27 -0.30 8.08 -1.08 -1.26 -4.25 116.67 121.25 1ubp s ASP 536 Ca 0.10 -0.69 -0.20 0.00 -0.52 0.00 0.00 52.55 51.24 1ubp s ASP 536 Cb -0.03 -2.34 -0.01 0.00 -1.46 0.00 0.00 42.92 39.08 1ubp s ASP 536 CO 0.02 -0.99 0.63 -0.63 0.52 0.00 0.00 175.17 174.71 1ubp s ILE 537 N 3.07 4.94 -0.23 4.11 1.01 -1.26 -4.37 121.20 128.46 1ubp s ILE 537 Ca 0.21 0.87 -0.09 0.00 0.00 0.00 0.00 60.65 61.64 1ubp s ILE 537 Cb -0.17 -4.00 -0.04 0.00 0.01 0.00 0.00 42.46 38.27 1ubp s ILE 537 CO 0.15 -0.13 0.11 -0.62 0.00 0.00 0.00 174.94 174.44 1ubp s ASP 538 N 1.63 5.67 -0.26 3.58 2.15 -0.53 -4.70 116.67 124.22 1ubp s ASP 538 Ca 0.25 -0.01 -0.01 0.00 0.43 0.00 0.00 52.55 53.22 1ubp s ASP 538 Cb -0.15 -2.01 0.04 0.00 -0.30 0.00 0.00 42.92 40.50 1ubp s ASP 538 CO 0.12 0.05 -0.06 -0.63 -0.17 0.00 0.00 175.17 174.48 1ubp s ILE 539 N 1.12 2.72 0.09 4.11 1.01 -1.26 -0.63 121.20 128.36 1ubp s ILE 539 Ca 0.06 -1.24 -0.31 0.00 0.00 0.00 0.00 60.65 59.16 1ubp s ILE 539 Cb -0.14 -2.46 -0.09 0.00 0.01 0.00 0.00 42.46 39.78 1ubp s ILE 539 CO 0.04 0.09 1.65 0.21 0.00 0.00 0.00 174.94 176.93 1ubp s ASN 540 N 1.26 6.59 0.44 3.58 3.84 -0.33 -4.90 114.94 125.42 1ubp s ASN 540 Ca -0.03 2.53 0.21 0.00 0.21 0.00 0.00 52.86 55.78 1ubp s ASN 540 Cb -0.18 -2.57 1.00 0.00 -0.55 0.00 0.00 41.25 38.95 1ubp s ASN 540 CO -0.04 -0.88 1.89 1.55 -2.79 0.00 0.00 177.10 176.83 1ubp h PRO 541 N 8.04 0.00 0.05 0.43 0.13 -1.95 0.10 132.00 138.80 1ubp h PRO 541 Ca -0.43 0.00 -0.25 0.00 -0.87 0.00 0.00 66.00 64.45 1ubp h PRO 541 Cb 1.20 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 32.31 1ubp h PRO 541 CO 0.93 0.26 -1.37 0.93 -0.23 0.00 0.00 178.00 178.52 1ubp h GLU 542 N 0.00 0.11 0.00 0.86 5.08 -1.99 -3.41 114.58 115.22 1ubp h GLU 542 Ca -0.00 -0.18 0.00 0.00 -1.00 0.00 0.00 59.36 58.18 1ubp h GLU 542 Cb 0.61 0.07 0.00 0.00 0.50 0.00 0.00 28.75 29.93 1ubp h GLU 542 CO 0.03 1.09 -1.31 0.25 -1.00 0.00 0.00 179.01 178.07 1ubp n THR 543 N -4.14 0.00 -0.96 1.13 -2.24 -1.23 -4.99 114.28 101.85 1ubp n THR 543 Ca -0.29 -0.25 0.00 0.00 -2.27 0.00 0.00 64.05 61.24 1ubp n THR 543 Cb 0.79 0.55 0.00 0.00 -2.10 0.00 0.00 70.33 69.57 1ubp n THR 543 CO 0.00 0.00 0.00 -1.22 -0.57 0.00 0.00 175.07 173.28 1ubp n TYR 544 N -1.76 0.00 -1.81 4.78 4.01 0.36 -4.95 117.16 117.78 1ubp n TYR 544 Ca -0.00 0.00 -0.41 0.00 -0.16 0.00 0.00 57.90 57.33 1ubp n TYR 544 Cb 0.36 -0.93 -0.01 0.00 -0.31 0.00 0.00 39.34 38.45 1ubp n TYR 544 CO 0.00 0.00 0.00 -2.00 -0.46 0.00 0.00 176.86 174.40 1ubp s GLU 545 N -0.89 4.14 -0.17 -0.72 2.12 -1.26 -4.42 118.70 117.49 1ubp s GLU 545 Ca 0.00 2.54 -0.06 0.00 0.36 0.00 0.00 54.97 57.81 1ubp s GLU 545 Cb 0.00 -3.02 -0.04 0.00 0.26 0.00 0.00 34.13 31.34 1ubp s GLU 545 CO 0.00 -0.58 0.04 0.08 -0.54 0.00 0.00 175.26 174.26 1ubp s VAL 546 N -0.34 4.59 -0.03 3.70 1.01 -1.26 -1.18 120.40 126.89 1ubp s VAL 546 Ca 0.60 -0.11 0.05 0.00 0.00 0.00 0.00 61.98 62.52 1ubp s VAL 546 Cb -0.47 -3.05 -0.01 0.00 0.00 0.00 0.00 36.38 32.85 1ubp s VAL 546 CO 0.52 0.47 -0.18 -0.54 0.00 0.00 0.00 175.10 175.37 1ubp s LYS 547 N 0.33 1.59 -0.08 2.72 1.02 0.20 -0.28 119.74 125.23 1ubp s LYS 547 Ca 0.02 -0.63 0.00 0.00 0.02 0.00 0.00 55.97 55.38 1ubp s LYS 547 Cb -0.13 -1.47 0.02 0.00 -0.52 0.00 0.00 37.83 35.73 1ubp s LYS 547 CO 0.01 0.33 -0.07 0.08 -0.92 0.00 0.00 175.35 174.78 1ubp s VAL 548 N -0.24 0.87 -1.48 3.17 1.01 -0.19 -1.45 120.40 122.08 1ubp s VAL 548 Ca 0.03 -0.25 -0.12 0.00 0.00 0.00 0.00 61.98 61.64 1ubp s VAL 548 Cb -0.09 -0.88 0.07 0.00 0.00 0.00 0.00 36.38 35.48 1ubp s VAL 548 CO 0.00 0.32 1.01 0.47 0.00 0.00 0.00 175.10 176.91 1ubp n ASP 549 N 4.48 -4.92 0.00 3.32 8.00 -1.26 -0.81 116.55 125.36 1ubp n ASP 549 Ca -0.17 -0.73 0.00 0.00 0.71 0.00 0.00 54.79 54.60 1ubp n ASP 549 Cb 0.51 -4.14 0.00 0.00 -0.02 0.00 0.00 41.12 37.46 1ubp n ASP 549 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1ubp n GLY 550 N -1.75 1.91 3.74 0.44 0.00 -1.26 -5.00 105.19 103.27 1ubp n GLY 550 Ca 0.01 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.68 1ubp n GLY 550 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 1ubp s GLU 551 N -0.05 3.18 0.10 1.61 -1.05 0.01 -5.05 118.70 117.45 1ubp s GLU 551 Ca 0.00 -0.32 -0.31 0.00 -0.15 0.00 0.00 54.97 54.19 1ubp s GLU 551 Cb 0.00 -2.94 -0.07 0.00 -0.44 0.00 0.00 34.13 30.68 1ubp s GLU 551 CO 0.00 0.70 1.33 0.08 0.95 0.00 0.00 175.26 178.33 1ubp s VAL 552 N -0.86 3.50 -0.45 1.83 1.01 -1.26 -1.03 120.40 123.14 1ubp s VAL 552 Ca 0.13 1.08 -0.16 0.00 0.00 0.00 0.00 61.98 63.03 1ubp s VAL 552 Cb -0.12 -3.69 0.05 0.00 0.00 0.00 0.00 36.38 32.62 1ubp s VAL 552 CO 0.03 0.09 0.38 -0.76 0.00 0.00 0.00 175.10 174.84 1ubp s LEU 553 N 1.05 5.36 -0.00 3.92 1.43 0.61 -4.95 118.68 126.10 1ubp s LEU 553 Ca 0.63 -1.12 -0.05 0.00 -1.03 0.00 0.00 54.13 52.56 1ubp s LEU 553 Cb -0.35 -2.21 -0.00 0.00 0.03 0.00 0.00 46.19 43.66 1ubp s LEU 553 CO 0.30 -0.60 0.09 0.28 0.23 0.00 0.00 176.35 176.66 1ubp s THR 554 N 1.75 0.07 0.19 5.49 -1.32 -1.26 -4.30 115.64 116.27 1ubp s THR 554 Ca 0.06 -0.58 -0.14 0.00 -1.21 0.00 0.00 61.69 59.82 1ubp s THR 554 Cb -0.22 -0.33 0.01 0.00 -1.51 0.00 0.00 72.50 70.46 1ubp s THR 554 CO 0.09 -0.32 0.44 0.00 -2.21 0.00 0.00 174.62 172.62 1ubp s GLU 556 N -3.92 3.70 0.44 0.00 0.41 -1.26 -4.86 118.70 113.22 1ubp s GLU 556 Ca 0.13 0.25 -0.22 0.00 -0.41 0.00 0.00 54.97 54.72 1ubp s GLU 556 Cb 0.00 -2.50 -0.09 0.00 -1.78 0.00 0.00 34.13 29.76 1ubp s GLU 556 CO -0.01 0.07 1.02 -1.25 -0.49 0.00 0.00 175.26 174.60 1ubp s PRO 557 N -3.76 4.02 0.08 0.39 0.04 -1.26 -4.93 135.00 129.58 1ubp s PRO 557 Ca 0.48 1.35 0.02 0.00 0.04 0.00 0.00 61.00 62.89 1ubp s PRO 557 Cb -0.10 -2.26 -0.04 0.00 0.04 0.00 0.00 34.50 32.14 1ubp s PRO 557 CO 0.31 -0.24 0.14 0.14 0.04 0.00 0.00 177.00 177.40 1ubp s VAL 558 N -1.92 4.89 -0.13 -0.36 -7.23 -1.02 -4.70 120.40 109.92 1ubp s VAL 558 Ca 0.63 -0.65 0.15 0.00 -1.81 0.00 0.00 61.98 60.30 1ubp s VAL 558 Cb -0.16 -3.39 -0.04 0.00 0.56 0.00 0.00 36.38 33.35 1ubp s VAL 558 CO 0.21 0.10 1.16 0.11 -0.31 0.00 0.00 175.10 176.37 1ubp h LYS 559 N 3.06 0.00 -4.53 4.82 1.57 -1.96 -1.78 116.57 117.76 1ubp h LYS 559 Ca -0.46 0.00 -0.30 0.00 -1.87 0.00 0.00 60.65 58.02 1ubp h LYS 559 Cb 1.17 0.00 -0.24 0.00 0.08 0.00 0.00 32.23 33.24 1ubp h LYS 559 CO 0.69 0.43 -0.74 -2.00 -0.57 0.00 0.00 179.45 177.26 1ubp s GLU 560 N -2.93 0.52 0.16 3.15 2.12 -1.26 -4.88 118.70 115.57 1ubp s GLU 560 Ca 0.01 -0.58 0.09 0.00 0.36 0.00 0.00 54.97 54.85 1ubp s GLU 560 Cb 0.08 -0.37 -0.04 0.00 0.26 0.00 0.00 34.13 34.06 1ubp s GLU 560 CO 0.78 0.08 -0.20 -0.51 -0.54 0.00 0.00 175.26 174.87 1ubp s LEU 561 N -1.10 2.41 1.05 2.70 1.43 -1.26 -5.11 118.68 118.79 1ubp s LEU 561 Ca -0.06 -0.83 -0.17 0.00 -1.03 0.00 0.00 54.13 52.05 1ubp s LEU 561 Cb -0.07 -0.91 0.23 0.00 0.03 0.00 0.00 46.19 45.46 1ubp s LEU 561 CO 0.00 0.02 1.21 -2.16 0.23 0.00 0.00 176.35 175.65 1ubp s PRO 562 N -2.60 -0.04 -1.41 1.29 0.04 -1.26 -4.28 135.00 126.73 1ubp s PRO 562 Ca 0.15 -0.17 -0.07 0.00 0.04 0.00 0.00 61.00 60.95 1ubp s PRO 562 Cb -0.07 -1.74 0.04 0.00 0.04 0.00 0.00 34.50 32.77 1ubp s PRO 562 CO 0.07 -2.91 0.87 -1.33 0.04 0.00 0.00 177.00 173.74 1ubp n MET 563 N -4.17 -5.45 0.00 4.56 2.81 -1.26 -4.89 117.12 108.72 1ubp n MET 563 Ca 0.13 0.63 0.00 0.00 -1.81 0.00 0.00 57.70 56.65 1ubp n MET 563 Cb 0.59 -5.39 0.00 0.00 -0.71 0.00 0.00 33.22 27.72 1ubp n MET 563 CO 0.00 0.00 0.00 0.00 1.51 0.00 0.00 175.97 177.48 1ubp n ALA 564 N -4.51 0.00 0.42 3.04 0.00 -1.26 -4.95 120.51 113.24 1ubp n ALA 564 Ca -0.12 0.00 0.09 0.00 0.00 0.00 0.00 53.44 53.41 1ubp n ALA 564 Cb 0.60 0.00 0.39 0.00 0.00 0.00 0.00 19.45 20.44 1ubp n ALA 564 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.50 178.54 1ubp n GLN 565 N 0.00 0.10 0.22 0.00 6.02 -1.26 -1.34 117.38 121.11 1ubp n GLN 565 Ca 0.00 0.35 0.09 0.00 -0.01 0.00 0.00 57.00 57.43 1ubp n GLN 565 Cb 0.00 -1.69 0.45 0.00 1.02 0.00 0.00 30.24 30.02 1ubp n GLN 565 CO 0.00 0.00 0.00 -0.09 -1.01 0.00 0.00 177.06 175.96 1ubp h ARG 566 N 0.00 0.00 0.00 -1.09 2.43 -1.94 -3.36 114.38 110.42 1ubp h ARG 566 Ca 0.00 0.00 -0.27 0.00 -0.81 0.00 0.00 59.98 58.90 1ubp h ARG 566 Cb 0.29 0.00 -0.05 0.00 -0.42 0.00 0.00 29.97 29.79 1ubp h ARG 566 CO 0.00 0.26 -2.00 0.66 -1.51 0.00 0.00 179.97 177.38 1ubp n TYR 567 N -3.47 0.00 -3.79 2.20 4.01 -0.45 -5.04 117.16 110.62 1ubp n TYR 567 Ca -0.00 0.00 -0.35 0.00 -0.16 0.00 0.00 57.90 57.38 1ubp n TYR 567 Cb 0.43 -0.71 -0.05 0.00 -0.31 0.00 0.00 39.34 38.70 1ubp n TYR 567 CO 0.00 0.00 0.00 -0.06 -0.46 0.00 0.00 176.86 176.34 1ubp s PHE 568 N -2.35 3.59 0.13 -0.72 0.08 -1.11 -4.99 117.98 112.62 1ubp s PHE 568 Ca -0.13 0.57 0.07 0.00 0.12 0.00 0.00 56.93 57.55 1ubp s PHE 568 Cb 0.05 -1.98 -0.15 0.00 -0.57 0.00 0.00 43.02 40.37 1ubp s PHE 568 CO 0.53 0.66 1.31 1.25 -0.10 0.00 0.00 175.22 178.87 1ubp h LEU 569 N 4.31 0.02 -0.62 -0.37 5.85 -1.93 -3.47 115.31 119.10 1ubp h LEU 569 Ca -0.51 -0.02 0.00 0.00 0.84 0.00 0.00 57.88 58.19 1ubp h LEU 569 Cb 1.21 -0.01 0.00 0.00 0.37 0.00 0.00 40.66 42.23 1ubp h LEU 569 CO 0.64 0.97 0.00 0.49 -0.34 0.00 0.00 178.44 180.20