#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ya5 n THR 2 N 0.00 0.00 -1.88 2.03 -1.04 -1.26 -5.13 114.28 107.00 1ya5 n THR 2 Ca 0.00 0.00 -0.42 0.00 -2.04 0.00 0.00 64.05 61.59 1ya5 n THR 2 Cb 0.00 0.00 -0.03 0.00 -1.82 0.00 0.00 70.33 68.48 1ya5 n THR 2 CO 0.00 0.00 0.00 -0.89 -0.64 0.00 0.00 175.07 173.54 1ya5 s THR 3 N -2.00 2.83 -0.29 12.58 2.01 -1.26 -4.44 115.64 125.07 1ya5 s THR 3 Ca 0.00 0.39 -0.14 0.00 0.31 0.00 0.00 61.69 62.25 1ya5 s THR 3 Cb 0.00 -3.25 0.12 0.00 0.01 0.00 0.00 72.50 69.38 1ya5 s THR 3 CO 0.00 0.01 0.76 -1.58 -0.69 0.00 0.00 174.62 173.12 1ya5 s GLN 4 N 2.31 0.56 0.59 4.92 0.74 -0.38 -4.91 119.66 123.49 1ya5 s GLN 4 Ca 0.74 1.14 -0.19 0.00 0.05 0.00 0.00 55.36 57.11 1ya5 s GLN 4 Cb -0.42 0.40 -0.04 0.00 1.10 0.00 0.00 33.01 34.05 1ya5 s GLN 4 CO 0.33 -0.15 1.19 0.00 -0.55 0.00 0.00 175.29 176.11 1ya5 s ALA 5 N 2.08 2.56 0.20 1.58 0.00 -1.26 0.13 121.76 127.05 1ya5 s ALA 5 Ca -0.08 0.95 -0.30 0.00 0.00 0.00 0.00 51.96 52.53 1ya5 s ALA 5 Cb -0.07 -3.43 -0.09 0.00 0.00 0.00 0.00 23.12 19.53 1ya5 s ALA 5 CO -0.19 -1.10 1.33 -2.14 0.00 0.00 0.00 175.76 173.67 1ya5 s PRO 6 N -3.37 4.37 0.05 0.00 0.02 -1.26 -4.38 135.00 130.44 1ya5 s PRO 6 Ca 0.76 2.08 0.05 0.00 0.02 0.00 0.00 61.00 63.91 1ya5 s PRO 6 Cb -0.28 -3.19 -0.02 0.00 0.02 0.00 0.00 34.50 31.02 1ya5 s PRO 6 CO 0.32 -0.29 -0.14 -0.08 -0.33 0.00 0.00 177.00 176.49 1ya5 s THR 7 N 0.18 1.10 -0.37 0.99 -1.32 -1.20 -4.41 115.64 110.61 1ya5 s THR 7 Ca 0.58 -1.10 -0.25 0.00 -1.21 0.00 0.00 61.69 59.71 1ya5 s THR 7 Cb -0.37 -1.02 0.01 0.00 -1.51 0.00 0.00 72.50 69.61 1ya5 s THR 7 CO 0.38 -0.07 0.90 -0.36 -2.21 0.00 0.00 174.62 173.26 1ya5 s PHE 8 N -0.99 3.08 0.09 9.09 0.40 -1.26 -0.78 117.98 127.61 1ya5 s PHE 8 Ca 0.00 0.73 -0.23 0.00 -0.60 0.00 0.00 56.93 56.84 1ya5 s PHE 8 Cb -0.09 -3.62 -0.15 0.00 0.51 0.00 0.00 43.02 39.68 1ya5 s PHE 8 CO 0.02 -0.82 1.73 1.15 0.70 0.00 0.00 175.22 178.00 1ya5 h THR 9 N 5.81 1.00 -3.22 0.64 2.02 0.31 -3.40 112.91 116.08 1ya5 h THR 9 Ca -0.23 -0.01 -0.54 0.00 0.77 0.00 0.00 66.41 66.39 1ya5 h THR 9 Cb 1.08 1.01 -0.40 0.00 -1.74 0.00 0.00 68.15 68.10 1ya5 h THR 9 CO 0.97 0.00 -0.76 -1.58 0.37 0.00 0.00 175.52 174.52 1ya5 s GLN 10 N -6.16 0.67 1.28 6.66 2.00 -0.86 -4.93 119.66 118.32 1ya5 s GLN 10 Ca -0.13 -0.64 -0.17 0.00 -2.00 0.00 0.00 55.36 52.42 1ya5 s GLN 10 Cb 0.06 -2.02 0.32 0.00 0.80 0.00 0.00 33.01 32.17 1ya5 s GLN 10 CO 0.66 -0.77 0.99 -1.25 -0.50 0.00 0.00 175.29 174.42 1ya5 s PRO 11 N 1.79 -1.79 0.43 1.67 0.04 -1.26 -2.04 135.00 133.84 1ya5 s PRO 11 Ca 0.03 0.51 -0.23 0.00 0.04 0.00 0.00 61.00 61.35 1ya5 s PRO 11 Cb -0.17 -1.48 -0.09 0.00 0.04 0.00 0.00 34.50 32.80 1ya5 s PRO 11 CO -0.15 -4.22 1.05 -0.51 0.04 0.00 0.00 177.00 173.21 1ya5 s LEU 12 N -7.48 4.03 -0.02 -3.56 1.43 -1.26 -4.78 118.68 107.05 1ya5 s LEU 12 Ca 0.69 2.00 0.07 0.00 -1.03 0.00 0.00 54.13 55.86 1ya5 s LEU 12 Cb -0.20 -4.32 -0.02 0.00 0.03 0.00 0.00 46.19 41.68 1ya5 s LEU 12 CO 0.62 -0.60 -0.22 -1.10 0.23 0.00 0.00 176.35 175.28 1ya5 s GLN 13 N -2.76 1.81 0.60 1.70 -0.21 -1.26 -4.74 119.66 114.80 1ya5 s GLN 13 Ca 0.61 -0.79 -0.19 0.00 0.02 0.00 0.00 55.36 55.00 1ya5 s GLN 13 Cb -0.20 -1.75 -0.04 0.00 1.00 0.00 0.00 33.01 32.03 1ya5 s GLN 13 CO 0.25 0.48 1.19 0.43 -2.12 0.00 0.00 175.29 175.51 1ya5 n SER 14 N 2.54 1.76 -4.18 5.90 7.64 -1.26 -4.81 113.62 121.21 1ya5 n SER 14 Ca -0.15 0.87 -0.21 0.00 1.01 0.00 0.00 58.87 60.38 1ya5 n SER 14 Cb 0.52 -1.50 -0.13 0.00 -1.01 0.00 0.00 64.21 62.09 1ya5 n SER 14 CO 0.00 0.00 0.00 0.68 -3.01 0.00 0.00 175.04 172.71 1ya5 s VAL 15 N -1.40 1.27 -0.15 0.44 -7.23 -0.18 -4.94 120.40 108.22 1ya5 s VAL 15 Ca 0.77 -1.13 0.01 0.00 -1.81 0.00 0.00 61.98 59.82 1ya5 s VAL 15 Cb -0.41 -1.15 0.02 0.00 0.56 0.00 0.00 36.38 35.40 1ya5 s VAL 15 CO 0.45 0.01 -0.15 -0.69 -0.31 0.00 0.00 175.10 174.41 1ya5 s VAL 16 N -0.92 1.61 0.06 1.32 1.01 -1.26 -0.89 120.40 121.33 1ya5 s VAL 16 Ca 0.03 -0.66 -0.01 0.00 0.00 0.00 0.00 61.98 61.34 1ya5 s VAL 16 Cb -0.08 -1.51 -0.04 0.00 0.00 0.00 0.00 36.38 34.75 1ya5 s VAL 16 CO 0.02 0.47 -0.04 0.68 0.00 0.00 0.00 175.10 176.23 1ya5 s VAL 17 N 1.43 0.30 0.10 2.92 -7.23 -0.85 -5.01 120.40 112.06 1ya5 s VAL 17 Ca 0.04 -1.82 -0.28 0.00 -1.81 0.00 0.00 61.98 58.11 1ya5 s VAL 17 Cb -0.13 -1.54 -0.06 0.00 0.56 0.00 0.00 36.38 35.21 1ya5 s VAL 17 CO -0.10 -0.97 0.87 -0.22 -0.31 0.00 0.00 175.10 174.37 1ya5 s LEU 18 N -2.93 4.51 0.11 1.32 0.20 -1.26 -1.37 118.68 119.26 1ya5 s LEU 18 Ca 0.08 1.67 -0.36 0.00 0.69 0.00 0.00 54.13 56.21 1ya5 s LEU 18 Cb 0.07 -3.43 -0.16 0.00 -0.43 0.00 0.00 46.19 42.24 1ya5 s LEU 18 CO -0.09 0.01 1.38 1.21 -0.29 0.00 0.00 176.35 178.57 1ya5 n GLU 19 N 2.55 1.38 -0.53 1.98 2.13 -0.35 -1.53 120.64 126.28 1ya5 n GLU 19 Ca -0.01 0.50 0.00 0.00 0.66 0.00 0.00 57.16 58.31 1ya5 n GLU 19 Cb 0.49 -2.15 0.00 0.00 0.27 0.00 0.00 31.44 30.05 1ya5 n GLU 19 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 1ya5 n GLY 20 N 2.65 0.75 3.81 8.31 0.00 -0.05 -4.89 105.19 115.77 1ya5 n GLY 20 Ca 0.18 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.94 1ya5 n GLY 20 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1ya5 s SER 21 N -2.38 4.54 0.11 1.61 1.04 -0.58 -4.53 113.70 113.51 1ya5 s SER 21 Ca 0.00 -1.16 -0.27 0.00 0.48 0.00 0.00 55.95 55.01 1ya5 s SER 21 Cb 0.00 -0.09 -0.06 0.00 0.10 0.00 0.00 66.02 65.97 1ya5 s SER 21 CO 0.00 -0.78 0.83 -0.89 0.98 0.00 0.00 173.24 173.38 1ya5 s THR 22 N -2.67 4.53 0.37 2.02 2.01 -0.96 -0.73 115.64 120.21 1ya5 s THR 22 Ca 0.36 1.79 0.08 0.00 0.31 0.00 0.00 61.69 64.22 1ya5 s THR 22 Cb 0.01 -4.19 -0.03 0.00 0.01 0.00 0.00 72.50 68.30 1ya5 s THR 22 CO 0.21 0.41 0.24 0.00 -0.69 0.00 0.00 174.62 174.79 1ya5 s ALA 23 N -0.42 3.74 -0.30 7.40 0.00 -0.87 -4.95 121.76 126.36 1ya5 s ALA 23 Ca 0.40 -1.84 -0.13 0.00 0.00 0.00 0.00 51.96 50.39 1ya5 s ALA 23 Cb -0.22 -0.86 0.15 0.00 0.00 0.00 0.00 23.12 22.18 1ya5 s ALA 23 CO 0.26 -0.07 0.82 0.99 0.00 0.00 0.00 175.76 177.77 1ya5 s THR 24 N -2.43 -0.73 -0.14 0.00 2.01 -1.26 -2.38 115.64 110.70 1ya5 s THR 24 Ca 0.42 0.00 -0.04 0.00 0.31 0.00 0.00 61.69 62.38 1ya5 s THR 24 Cb -0.03 -1.00 -0.03 0.00 0.01 0.00 0.00 72.50 71.45 1ya5 s THR 24 CO 0.25 0.00 -0.01 -0.36 -0.69 0.00 0.00 174.62 173.81 1ya5 s PHE 25 N 2.65 3.10 -0.00 4.92 0.40 0.11 -4.96 117.98 124.20 1ya5 s PHE 25 Ca -0.04 -0.09 0.02 0.00 -0.60 0.00 0.00 56.93 56.22 1ya5 s PHE 25 Cb -0.09 -1.93 -0.01 0.00 0.51 0.00 0.00 43.02 41.51 1ya5 s PHE 25 CO -0.18 0.14 -0.07 -2.00 0.70 0.00 0.00 175.22 173.81 1ya5 s GLU 26 N 0.01 0.58 0.01 0.44 2.12 -1.26 -0.42 118.70 120.18 1ya5 s GLU 26 Ca 0.02 -0.28 -0.01 0.00 0.36 0.00 0.00 54.97 55.06 1ya5 s GLU 26 Cb -0.13 -0.56 -0.01 0.00 0.26 0.00 0.00 34.13 33.69 1ya5 s GLU 26 CO 0.02 0.15 0.00 0.00 -0.54 0.00 0.00 175.26 174.90 1ya5 s ALA 27 N -0.22 0.02 -0.19 6.30 0.00 -1.12 -4.42 121.76 122.14 1ya5 s ALA 27 Ca 0.02 -0.39 -0.07 0.00 0.00 0.00 0.00 51.96 51.52 1ya5 s ALA 27 Cb -0.03 0.11 -0.04 0.00 0.00 0.00 0.00 23.12 23.16 1ya5 s ALA 27 CO -0.00 -0.14 0.06 -1.01 0.00 0.00 0.00 175.76 174.67 1ya5 s HIS 28 N -1.15 3.21 0.15 0.00 3.76 -0.87 -0.86 115.29 119.54 1ya5 s HIS 28 Ca -0.13 -0.01 0.06 0.00 -0.15 0.00 0.00 55.06 54.84 1ya5 s HIS 28 Cb -0.08 -2.10 -0.04 0.00 1.11 0.00 0.00 32.58 31.47 1ya5 s HIS 28 CO -0.00 0.07 -0.13 0.42 -0.85 0.00 0.00 174.74 174.24 1ya5 s ILE 29 N 0.57 1.42 0.18 0.60 1.01 -1.15 0.99 121.20 124.82 1ya5 s ILE 29 Ca 0.03 -1.93 0.02 0.00 0.00 0.00 0.00 60.65 58.77 1ya5 s ILE 29 Cb -0.13 -1.75 -0.01 0.00 0.01 0.00 0.00 42.46 40.58 1ya5 s ILE 29 CO 0.01 -0.53 0.08 -1.20 0.00 0.00 0.00 174.94 173.30 1ya5 n SER 30 N 0.13 0.74 0.00 3.58 7.64 0.04 -4.78 113.62 120.97 1ya5 n SER 30 Ca -0.12 -1.98 0.00 0.00 1.01 0.00 0.00 58.87 57.78 1ya5 n SER 30 Cb 0.59 0.53 0.00 0.00 -1.01 0.00 0.00 64.21 64.32 1ya5 n SER 30 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1ya5 n GLY 31 N 0.63 3.93 3.21 0.23 0.00 -1.26 -3.22 105.19 108.71 1ya5 n GLY 31 Ca -0.01 -1.54 -0.10 0.00 0.00 0.00 0.00 46.02 44.36 1ya5 n GLY 31 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 1ya5 s PHE 32 N -2.04 -0.64 0.74 1.61 5.99 0.12 -3.52 117.98 120.24 1ya5 s PHE 32 Ca 0.00 1.30 -0.15 0.00 0.00 0.00 0.00 56.93 58.09 1ya5 s PHE 32 Cb 0.00 0.22 0.04 0.00 0.00 0.00 0.00 43.02 43.28 1ya5 s PHE 32 CO 0.00 -0.40 1.20 -2.14 -0.00 0.00 0.00 175.22 173.89 1ya5 s PRO 33 N 2.06 2.08 0.04 10.12 0.02 -1.26 -1.24 135.00 146.82 1ya5 s PRO 33 Ca -0.05 1.74 -0.27 0.00 0.02 0.00 0.00 61.00 62.44 1ya5 s PRO 33 Cb -0.11 -1.83 -0.14 0.00 0.02 0.00 0.00 34.50 32.44 1ya5 s PRO 33 CO -0.12 -1.87 0.69 0.28 -0.33 0.00 0.00 177.00 175.65 1ya5 n VAL 34 N -2.81 0.37 -2.66 3.83 0.31 -1.23 -4.81 118.33 111.33 1ya5 n VAL 34 Ca 0.13 -0.09 -0.40 0.00 -0.01 0.00 0.00 64.34 63.97 1ya5 n VAL 34 Cb 0.50 0.00 -0.05 0.00 -0.91 0.00 0.00 33.84 33.38 1ya5 n VAL 34 CO 0.00 0.00 0.00 -2.84 -1.32 0.00 0.00 176.83 172.67 1ya5 s PRO 35 N -0.19 4.76 -0.01 5.55 0.02 -1.26 -4.89 135.00 138.99 1ya5 s PRO 35 Ca 0.62 1.58 -0.30 0.00 0.02 0.00 0.00 61.00 62.93 1ya5 s PRO 35 Cb -0.88 -3.21 -0.05 0.00 0.02 0.00 0.00 34.50 30.38 1ya5 s PRO 35 CO 0.42 0.40 1.44 -1.21 -0.33 0.00 0.00 177.00 177.72 1ya5 s GLU 36 N -1.34 4.26 0.04 5.54 0.41 0.89 -4.75 118.70 123.74 1ya5 s GLU 36 Ca 0.43 2.00 0.08 0.00 -0.41 0.00 0.00 54.97 57.07 1ya5 s GLU 36 Cb -0.27 -3.64 -0.03 0.00 -1.78 0.00 0.00 34.13 28.40 1ya5 s GLU 36 CO 0.34 -0.63 -0.23 0.08 -0.49 0.00 0.00 175.26 174.34 1ya5 s VAL 37 N 2.71 2.44 -0.02 2.63 1.01 -1.26 -1.34 120.40 126.58 1ya5 s VAL 37 Ca 0.65 -1.27 -0.27 0.00 0.00 0.00 0.00 61.98 61.09 1ya5 s VAL 37 Cb -0.32 -1.98 0.06 0.00 0.00 0.00 0.00 36.38 34.15 1ya5 s VAL 37 CO 0.26 0.37 0.61 -0.94 0.00 0.00 0.00 175.10 175.41 1ya5 s SER 38 N -1.27 -0.57 -0.00 3.32 1.04 -0.74 -5.00 113.70 110.47 1ya5 s SER 38 Ca 0.13 0.52 0.05 0.00 0.48 0.00 0.00 55.95 57.12 1ya5 s SER 38 Cb -0.10 0.51 -0.03 0.00 0.10 0.00 0.00 66.02 66.50 1ya5 s SER 38 CO 0.03 -0.63 -0.14 0.26 0.98 0.00 0.00 173.24 173.74 1ya5 s TRP 39 N -1.58 2.69 0.11 5.02 0.52 -1.26 -1.12 118.94 123.33 1ya5 s TRP 39 Ca -0.10 -0.17 0.06 0.00 0.02 0.00 0.00 56.10 55.92 1ya5 s TRP 39 Cb -0.01 -1.56 -0.04 0.00 -1.15 0.00 0.00 33.47 30.72 1ya5 s TRP 39 CO 0.06 0.25 -0.15 -0.06 0.02 0.00 0.00 176.95 177.07 1ya5 s PHE 40 N -0.87 1.42 -0.09 -1.98 0.40 -0.71 -0.64 117.98 115.52 1ya5 s PHE 40 Ca 0.14 -0.52 0.03 0.00 -0.60 0.00 0.00 56.93 55.98 1ya5 s PHE 40 Cb -0.11 -0.76 0.01 0.00 0.51 0.00 0.00 43.02 42.68 1ya5 s PHE 40 CO 0.04 0.14 -0.17 0.50 0.70 0.00 0.00 175.22 176.43 1ya5 s ARG 41 N -2.42 2.27 -1.23 0.44 3.52 0.11 -1.05 118.95 120.59 1ya5 s ARG 41 Ca 0.07 -0.61 -0.24 0.00 -0.13 0.00 0.00 55.73 54.82 1ya5 s ARG 41 Cb -0.06 -1.81 0.03 0.00 -1.56 0.00 0.00 34.95 31.55 1ya5 s ARG 41 CO 0.03 0.07 0.46 -0.25 -0.81 0.00 0.00 175.30 174.79 1ya5 n ASP 42 N 3.77 -2.49 0.00 -2.12 8.00 -0.28 -1.41 116.55 122.03 1ya5 n ASP 42 Ca -0.21 -1.23 0.00 0.00 0.71 0.00 0.00 54.79 54.06 1ya5 n ASP 42 Cb 0.52 -1.49 0.00 0.00 -0.02 0.00 0.00 41.12 40.14 1ya5 n ASP 42 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1ya5 n GLY 43 N -2.17 2.43 3.92 0.44 0.00 -1.26 -5.01 105.19 103.54 1ya5 n GLY 43 Ca -0.16 -0.12 -0.24 0.00 0.00 0.00 0.00 46.02 45.50 1ya5 n GLY 43 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1ya5 s GLN 44 N 0.00 3.31 0.49 1.61 1.11 -0.50 -4.98 119.66 120.71 1ya5 s GLN 44 Ca 0.00 -0.75 -0.23 0.00 0.01 0.00 0.00 55.36 54.40 1ya5 s GLN 44 Cb 0.00 -2.85 -0.06 0.00 -1.01 0.00 0.00 33.01 29.09 1ya5 s GLN 44 CO 0.00 0.47 1.25 0.54 0.01 0.00 0.00 175.29 177.56 1ya5 s VAL 45 N -1.88 2.66 -0.14 1.09 0.11 -1.26 0.09 120.40 121.07 1ya5 s VAL 45 Ca 0.34 0.50 -0.05 0.00 -2.93 0.00 0.00 61.98 59.84 1ya5 s VAL 45 Cb -0.10 -3.26 -0.04 0.00 -1.53 0.00 0.00 36.38 31.46 1ya5 s VAL 45 CO 0.28 -0.00 0.02 -0.63 -3.33 0.00 0.00 175.10 171.44 1ya5 s ILE 46 N -1.43 4.48 0.31 7.04 1.01 0.19 -4.73 121.20 128.06 1ya5 s ILE 46 Ca 0.67 -0.16 0.01 0.00 0.00 0.00 0.00 60.65 61.17 1ya5 s ILE 46 Cb -0.34 -2.96 -0.02 0.00 0.01 0.00 0.00 42.46 39.15 1ya5 s ILE 46 CO 0.41 0.52 0.34 -0.94 0.00 0.00 0.00 174.94 175.27 1ya5 s SER 47 N -0.07 1.03 0.00 3.58 1.04 -1.26 -4.78 113.70 113.23 1ya5 s SER 47 Ca 0.05 -1.54 0.25 0.00 0.48 0.00 0.00 55.95 55.19 1ya5 s SER 47 Cb -0.12 0.57 1.11 0.00 0.10 0.00 0.00 66.02 67.68 1ya5 s SER 47 CO 0.02 -1.12 1.82 0.35 0.98 0.00 0.00 173.24 175.28 1ya5 n THR 48 N -0.53 0.26 0.10 2.02 -2.24 -1.26 -0.44 114.28 112.19 1ya5 n THR 48 Ca 0.04 0.06 -0.16 0.00 -2.27 0.00 0.00 64.05 61.72 1ya5 n THR 48 Cb 0.63 -0.63 -0.14 0.00 -2.10 0.00 0.00 70.33 68.08 1ya5 n THR 48 CO 0.00 0.00 0.00 0.28 -0.57 0.00 0.00 175.07 174.78 1ya5 h SER 49 N 0.00 0.41 1.59 3.42 0.02 -1.98 -2.78 113.55 114.23 1ya5 h SER 49 Ca 0.00 -0.45 -0.06 0.00 -0.84 0.00 0.00 61.79 60.44 1ya5 h SER 49 Cb 0.39 -0.13 -0.01 0.00 0.14 0.00 0.00 62.40 62.79 1ya5 h SER 49 CO 0.00 1.35 -0.30 0.00 -1.14 0.00 0.00 176.83 176.74 1ya5 h THR 50 N 0.07 0.54 -0.48 -2.27 1.03 -1.28 -3.40 112.91 107.12 1ya5 h THR 50 Ca -0.14 -1.68 -0.28 0.00 -0.01 0.00 0.00 66.41 64.30 1ya5 h THR 50 Cb 1.97 2.20 -0.19 0.00 -1.07 0.00 0.00 68.15 71.06 1ya5 h THR 50 CO 0.20 0.30 -0.61 -0.11 -0.01 0.00 0.00 175.52 175.29 1ya5 n LEU 51 N -3.20 -2.37 -4.58 0.00 0.00 0.42 -4.91 117.00 102.35 1ya5 n LEU 51 Ca 0.02 -3.54 -0.60 0.00 0.00 0.00 0.00 56.01 51.89 1ya5 n LEU 51 Cb 0.63 0.79 -0.08 0.00 0.00 0.00 0.00 43.42 44.76 1ya5 n LEU 51 CO 0.37 2.00 0.80 -2.65 0.00 0.00 0.00 177.39 177.92 1ya5 n PRO 52 N 1.74 0.21 0.00 1.96 -0.02 -1.05 -1.66 135.00 136.18 1ya5 n PRO 52 Ca 0.12 0.08 0.00 0.00 -2.02 0.00 0.00 63.50 61.68 1ya5 n PRO 52 Cb 0.60 -1.61 0.00 0.00 -0.02 0.00 0.00 33.50 32.48 1ya5 n PRO 52 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1ya5 n GLY 53 N 2.40 0.07 3.67 -1.23 0.00 -1.26 -4.96 105.19 103.87 1ya5 n GLY 53 Ca 0.23 0.00 -0.46 0.00 0.00 0.00 0.00 46.02 45.79 1ya5 n GLY 53 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 1ya5 n VAL 54 N -1.94 0.35 -3.88 1.61 0.24 -0.66 -4.38 118.33 109.67 1ya5 n VAL 54 Ca 0.00 -0.09 -0.36 0.00 -2.04 0.00 0.00 64.34 61.86 1ya5 n VAL 54 Cb 0.00 -1.48 -0.14 0.00 -1.47 0.00 0.00 33.84 30.75 1ya5 n VAL 54 CO 0.00 0.00 0.00 -1.10 -2.14 0.00 0.00 176.83 173.59 1ya5 s GLN 55 N 0.40 2.67 -0.14 7.34 -0.21 -0.62 -4.87 119.66 124.22 1ya5 s GLN 55 Ca 0.75 -1.11 -0.01 0.00 0.02 0.00 0.00 55.36 55.01 1ya5 s GLN 55 Cb -0.68 -3.19 -0.01 0.00 1.00 0.00 0.00 33.01 30.12 1ya5 s GLN 55 CO 0.43 -0.54 -0.12 0.42 -2.12 0.00 0.00 175.29 173.36 1ya5 s ILE 56 N 1.33 3.10 -0.02 1.08 1.01 -1.26 -0.72 121.20 125.72 1ya5 s ILE 56 Ca -0.02 -0.64 0.04 0.00 0.00 0.00 0.00 60.65 60.03 1ya5 s ILE 56 Cb -0.18 -2.31 -0.00 0.00 0.01 0.00 0.00 42.46 39.97 1ya5 s ILE 56 CO -0.01 0.51 -0.12 -0.94 0.00 0.00 0.00 174.94 174.38 1ya5 s SER 57 N 0.49 1.53 -0.28 3.58 1.04 -0.56 -5.01 113.70 114.49 1ya5 s SER 57 Ca -0.09 -0.24 -0.01 0.00 0.48 0.00 0.00 55.95 56.09 1ya5 s SER 57 Cb -0.16 -0.30 0.09 0.00 0.10 0.00 0.00 66.02 65.76 1ya5 s SER 57 CO 0.04 0.13 0.07 0.12 0.98 0.00 0.00 173.24 174.58 1ya5 s PHE 58 N -0.07 1.58 0.03 5.02 5.36 -1.26 -1.32 117.98 127.32 1ya5 s PHE 58 Ca 0.01 -1.52 -0.27 0.00 -0.96 0.00 0.00 56.93 54.18 1ya5 s PHE 58 Cb -0.07 -1.53 0.08 0.00 -0.34 0.00 0.00 43.02 41.16 1ya5 s PHE 58 CO 0.00 -0.81 0.71 -1.54 -1.46 0.00 0.00 175.22 172.13 1ya5 s SER 59 N 1.66 -0.55 -0.70 6.13 1.04 -0.96 -4.94 113.70 115.39 1ya5 s SER 59 Ca 0.06 0.27 0.00 0.00 0.48 0.00 0.00 55.95 56.76 1ya5 s SER 59 Cb -0.17 0.52 0.00 0.00 0.10 0.00 0.00 66.02 66.46 1ya5 s SER 59 CO -0.20 -0.74 0.00 0.47 0.98 0.00 0.00 173.24 173.75 1ya5 n ASP 60 N 0.17 -5.53 0.00 7.02 9.92 -1.26 -2.20 116.55 124.67 1ya5 n ASP 60 Ca -0.16 0.16 0.00 0.00 -0.53 0.00 0.00 54.79 54.27 1ya5 n ASP 60 Cb 0.61 -3.61 0.00 0.00 -0.64 0.00 0.00 41.12 37.48 1ya5 n ASP 60 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 1ya5 n GLY 61 N 0.14 2.79 3.74 0.44 0.00 -1.26 -5.05 105.19 105.98 1ya5 n GLY 61 Ca -0.07 -0.66 -0.41 0.00 0.00 0.00 0.00 46.02 44.88 1ya5 n GLY 61 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1ya5 s ARG 62 N 0.00 4.54 -0.48 1.61 0.52 -0.93 -2.91 118.95 121.30 1ya5 s ARG 62 Ca 0.00 1.78 0.03 0.00 -0.52 0.00 0.00 55.73 57.02 1ya5 s ARG 62 Cb 0.00 -3.27 0.14 0.00 0.52 0.00 0.00 34.95 32.34 1ya5 s ARG 62 CO 0.00 -0.01 0.27 0.00 0.02 0.00 0.00 175.30 175.58 1ya5 s ALA 63 N -0.09 2.55 0.31 2.13 0.00 -0.04 -2.26 121.76 124.37 1ya5 s ALA 63 Ca 0.51 -2.86 -0.10 0.00 0.00 0.00 0.00 51.96 49.51 1ya5 s ALA 63 Cb -0.31 -1.97 -0.07 0.00 0.00 0.00 0.00 23.12 20.78 1ya5 s ALA 63 CO 0.35 -2.05 0.66 0.15 0.00 0.00 0.00 175.76 174.87 1ya5 s LYS 64 N 0.03 3.82 -0.03 0.00 1.02 -0.43 -2.77 119.74 121.37 1ya5 s LYS 64 Ca 0.19 0.38 -0.01 0.00 0.02 0.00 0.00 55.97 56.55 1ya5 s LYS 64 Cb -0.22 -2.52 0.03 0.00 -0.52 0.00 0.00 37.83 34.60 1ya5 s LYS 64 CO -0.02 0.16 0.05 -1.17 -0.92 0.00 0.00 175.35 173.45 1ya5 s LEU 65 N -3.27 0.56 -0.06 3.17 0.20 0.44 -1.50 118.68 118.22 1ya5 s LEU 65 Ca 0.50 0.07 0.05 0.00 0.69 0.00 0.00 54.13 55.44 1ya5 s LEU 65 Cb -0.11 -0.09 -0.02 0.00 -0.43 0.00 0.00 46.19 45.55 1ya5 s LEU 65 CO 0.24 -0.20 -0.21 -0.89 -0.29 0.00 0.00 176.35 175.01 1ya5 s THR 66 N 1.67 2.40 -0.41 3.68 2.01 0.10 -0.71 115.64 124.39 1ya5 s THR 66 Ca -0.01 -0.95 -0.07 0.00 0.31 0.00 0.00 61.69 60.96 1ya5 s THR 66 Cb -0.12 -1.90 0.08 0.00 0.01 0.00 0.00 72.50 70.57 1ya5 s THR 66 CO -0.03 0.57 0.22 -0.63 -0.69 0.00 0.00 174.62 174.06 1ya5 s ILE 67 N -0.29 3.95 0.12 1.82 1.01 -1.00 -1.59 121.20 125.21 1ya5 s ILE 67 Ca 0.01 -1.51 -0.27 0.00 0.00 0.00 0.00 60.65 58.88 1ya5 s ILE 67 Cb -0.13 -3.45 -0.07 0.00 0.01 0.00 0.00 42.46 38.82 1ya5 s ILE 67 CO 0.03 -0.50 1.45 1.55 0.00 0.00 0.00 174.94 177.47 1ya5 h PRO 68 N 8.31 -0.13 -5.28 2.79 0.13 -1.85 -2.32 132.00 133.64 1ya5 h PRO 68 Ca -0.21 0.01 -0.58 0.00 -0.87 0.00 0.00 66.00 64.34 1ya5 h PRO 68 Cb 1.07 0.03 -0.32 0.00 0.13 0.00 0.00 31.00 31.92 1ya5 h PRO 68 CO 0.73 -0.08 -0.84 0.00 -0.23 0.00 0.00 178.00 177.57 1ya5 s ALA 69 N -5.28 1.64 0.30 -0.56 0.00 -1.26 -2.25 121.76 114.35 1ya5 s ALA 69 Ca -0.11 -0.73 0.04 0.00 0.00 0.00 0.00 51.96 51.16 1ya5 s ALA 69 Cb 0.08 -0.57 -0.02 0.00 0.00 0.00 0.00 23.12 22.61 1ya5 s ALA 69 CO 0.52 0.27 0.46 0.14 0.00 0.00 0.00 175.76 177.14 1ya5 s VAL 70 N 0.14 4.88 0.08 0.00 -7.23 0.09 -4.87 120.40 113.48 1ya5 s VAL 70 Ca -0.07 -0.82 0.03 0.00 -1.81 0.00 0.00 61.98 59.31 1ya5 s VAL 70 Cb -0.13 -3.74 -0.04 0.00 0.56 0.00 0.00 36.38 33.04 1ya5 s VAL 70 CO 0.03 -0.35 -0.08 0.42 -0.31 0.00 0.00 175.10 174.81 1ya5 s THR 71 N -2.15 0.74 0.48 5.32 -4.23 -1.26 -0.87 115.64 113.67 1ya5 s THR 71 Ca 0.39 -1.63 0.27 0.00 -1.18 0.00 0.00 61.69 59.54 1ya5 s THR 71 Cb -0.09 -1.32 0.46 0.00 1.34 0.00 0.00 72.50 72.89 1ya5 s THR 71 CO 0.32 -0.65 1.83 0.50 -0.54 0.00 0.00 174.62 176.08 1ya5 h LYS 72 N 3.53 0.17 -0.77 3.99 1.63 -1.96 0.89 116.57 124.04 1ya5 h LYS 72 Ca -0.36 -0.01 -0.01 0.00 -0.85 0.00 0.00 60.65 59.42 1ya5 h LYS 72 Cb 1.18 -0.04 -0.04 0.00 -0.60 0.00 0.00 32.23 32.74 1ya5 h LYS 72 CO 0.55 0.11 0.43 0.00 -3.45 0.00 0.00 179.45 177.09 1ya5 h ALA 73 N 1.54 1.30 0.00 5.00 0.00 -1.98 -2.20 119.26 122.93 1ya5 h ALA 73 Ca 0.52 -0.11 0.00 0.00 0.00 0.00 0.00 54.91 55.32 1ya5 h ALA 73 Cb 1.72 -0.31 0.00 0.00 0.00 0.00 0.00 17.79 19.20 1ya5 h ALA 73 CO -0.12 0.57 0.00 0.09 0.00 0.00 0.00 179.25 179.80 1ya5 n ASN 74 N -4.36 0.44 -4.75 0.00 3.02 0.31 -4.79 115.26 105.13 1ya5 n ASN 74 Ca 0.08 0.70 -0.41 0.00 -0.03 0.00 0.00 54.58 54.91 1ya5 n ASN 74 Cb 0.09 -0.76 -0.02 0.00 -0.61 0.00 0.00 39.78 38.49 1ya5 n ASN 74 CO 0.00 0.00 0.00 -0.44 -2.62 0.00 0.00 177.26 174.20 1ya5 s SER 75 N -3.81 6.44 0.00 6.41 0.01 -0.83 -4.90 113.70 117.02 1ya5 s SER 75 Ca -0.01 2.88 0.00 0.00 1.31 0.00 0.00 55.95 60.13 1ya5 s SER 75 Cb 0.05 -2.63 0.00 0.00 0.21 0.00 0.00 66.02 63.65 1ya5 s SER 75 CO 0.17 -0.86 0.00 0.61 0.41 0.00 0.00 173.24 173.57 1ya5 n GLY 76 N 2.11 -1.35 3.77 3.44 0.00 -0.67 -5.00 105.19 107.49 1ya5 n GLY 76 Ca 0.07 -1.54 -0.39 0.00 0.00 0.00 0.00 46.02 44.17 1ya5 n GLY 76 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 1ya5 s ARG 77 N -1.70 4.33 -0.03 1.61 1.70 -1.26 -0.99 118.95 122.62 1ya5 s ARG 77 Ca 0.00 0.80 0.04 0.00 -0.47 0.00 0.00 55.73 56.10 1ya5 s ARG 77 Cb 0.00 -3.33 -0.03 0.00 -0.57 0.00 0.00 34.95 31.03 1ya5 s ARG 77 CO 0.00 0.41 -0.12 0.71 -1.08 0.00 0.00 175.30 175.21 1ya5 s TYR 78 N -0.35 2.75 0.04 5.89 1.51 0.17 -1.12 117.35 126.23 1ya5 s TYR 78 Ca 0.32 -0.12 0.08 0.00 -1.01 0.00 0.00 57.07 56.33 1ya5 s TYR 78 Cb -0.19 -1.61 -0.03 0.00 -0.11 0.00 0.00 41.96 40.03 1ya5 s TYR 78 CO 0.19 0.26 -0.23 -1.12 -1.11 0.00 0.00 175.55 173.53 1ya5 s SER 79 N -1.00 2.72 -0.19 2.29 0.01 -0.22 -1.06 113.70 116.25 1ya5 s SER 79 Ca 0.13 -0.53 -0.03 0.00 1.31 0.00 0.00 55.95 56.84 1ya5 s SER 79 Cb -0.11 -0.24 -0.01 0.00 0.21 0.00 0.00 66.02 65.87 1ya5 s SER 79 CO 0.03 0.21 -0.08 -0.22 0.41 0.00 0.00 173.24 173.59 1ya5 s LEU 80 N -1.12 2.78 -0.14 2.44 2.96 0.11 -1.74 118.68 123.97 1ya5 s LEU 80 Ca 0.09 -0.40 -0.02 0.00 -0.22 0.00 0.00 54.13 53.59 1ya5 s LEU 80 Cb -0.09 -1.68 -0.02 0.00 0.50 0.00 0.00 46.19 44.89 1ya5 s LEU 80 CO 0.02 0.03 -0.08 -0.75 -1.32 0.00 0.00 176.35 174.24 1ya5 s LYS 81 N 1.18 3.46 -0.13 1.98 2.20 -0.27 -1.19 119.74 126.96 1ya5 s LYS 81 Ca 0.02 -0.60 0.01 0.00 -0.36 0.00 0.00 55.97 55.04 1ya5 s LYS 81 Cb -0.14 -2.76 0.02 0.00 -1.51 0.00 0.00 37.83 33.44 1ya5 s LYS 81 CO -0.02 0.27 -0.15 0.00 -0.36 0.00 0.00 175.35 175.09 1ya5 s ALA 82 N 0.25 1.80 0.05 3.13 0.00 0.34 -1.79 121.76 125.54 1ya5 s ALA 82 Ca -0.06 -0.84 0.07 0.00 0.00 0.00 0.00 51.96 51.14 1ya5 s ALA 82 Cb -0.15 -0.97 -0.03 0.00 0.00 0.00 0.00 23.12 21.98 1ya5 s ALA 82 CO 0.04 -0.26 -0.20 0.99 0.00 0.00 0.00 175.76 176.33 1ya5 s THR 83 N 1.29 1.62 0.01 0.00 2.01 -0.45 -0.46 115.64 119.67 1ya5 s THR 83 Ca 0.00 -1.25 -0.00 0.00 0.31 0.00 0.00 61.69 60.75 1ya5 s THR 83 Cb -0.14 -1.43 0.00 0.00 0.01 0.00 0.00 72.50 70.95 1ya5 s THR 83 CO -0.07 0.13 0.02 -0.46 -0.69 0.00 0.00 174.62 173.55 1ya5 n ASN 84 N 1.70 -0.07 -0.24 3.53 0.23 0.16 -0.08 115.26 120.50 1ya5 n ASN 84 Ca -0.18 -1.05 0.16 0.00 -0.53 0.00 0.00 54.58 52.99 1ya5 n ASN 84 Cb 0.53 0.11 0.47 0.00 -2.08 0.00 0.00 39.78 38.82 1ya5 n ASN 84 CO 0.00 0.00 0.00 1.23 -0.93 0.00 0.00 177.26 177.56 1ya5 h GLY 85 N 0.06 0.95 0.70 4.83 0.00 -1.91 -2.79 103.07 104.91 1ya5 h GLY 85 Ca -0.01 -0.22 0.00 0.00 0.00 0.00 0.00 47.33 47.10 1ya5 h GLY 85 CO 0.01 0.03 -0.75 1.44 0.00 0.00 0.00 176.54 177.27 1ya5 n SER 86 N -4.53 0.64 0.00 0.19 7.64 -1.26 -5.04 113.62 111.26 1ya5 n SER 86 Ca 0.18 -0.37 0.00 0.00 1.01 0.00 0.00 58.87 59.69 1ya5 n SER 86 Cb 0.60 0.54 0.00 0.00 -1.01 0.00 0.00 64.21 64.35 1ya5 n SER 86 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1ya5 n GLY 87 N 1.45 -0.21 3.39 0.23 0.00 -1.06 -4.62 105.19 104.38 1ya5 n GLY 87 Ca 0.04 -0.87 -0.15 0.00 0.00 0.00 0.00 46.02 45.05 1ya5 n GLY 87 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 1ya5 s GLN 88 N -2.00 0.98 -0.03 1.61 0.74 -1.26 -0.67 119.66 119.03 1ya5 s GLN 88 Ca 0.00 -0.13 -0.07 0.00 0.05 0.00 0.00 55.36 55.22 1ya5 s GLN 88 Cb 0.00 0.45 0.01 0.00 1.10 0.00 0.00 33.01 34.57 1ya5 s GLN 88 CO 0.00 -0.33 0.16 0.00 -0.55 0.00 0.00 175.29 174.56 1ya5 s ALA 89 N -2.01 -0.38 -0.03 1.58 0.00 0.40 -4.83 121.76 116.50 1ya5 s ALA 89 Ca -0.08 0.21 0.01 0.00 0.00 0.00 0.00 51.96 52.10 1ya5 s ALA 89 Cb -0.01 -0.11 0.02 0.00 0.00 0.00 0.00 23.12 23.02 1ya5 s ALA 89 CO 0.02 -0.14 -0.03 0.99 0.00 0.00 0.00 175.76 176.60 1ya5 s THR 90 N -0.56 0.38 -0.11 0.00 2.01 -1.26 -0.50 115.64 115.59 1ya5 s THR 90 Ca -0.06 -0.08 0.01 0.00 0.31 0.00 0.00 61.69 61.86 1ya5 s THR 90 Cb -0.04 -0.40 0.02 0.00 0.01 0.00 0.00 72.50 72.09 1ya5 s THR 90 CO 0.01 0.16 -0.14 -0.55 -0.69 0.00 0.00 174.62 173.41 1ya5 s SER 91 N 0.62 2.44 -0.02 3.53 0.15 -0.33 -4.98 113.70 115.12 1ya5 s SER 91 Ca -0.07 -0.43 0.05 0.00 0.70 0.00 0.00 55.95 56.20 1ya5 s SER 91 Cb -0.10 -1.08 -0.03 0.00 -1.71 0.00 0.00 66.02 63.10 1ya5 s SER 91 CO -0.00 -0.00 -0.16 -0.89 1.20 0.00 0.00 173.24 173.39 1ya5 s THR 92 N 1.10 2.96 0.21 6.45 2.01 -1.26 -0.72 115.64 126.40 1ya5 s THR 92 Ca -0.04 -0.89 -0.09 0.00 0.31 0.00 0.00 61.69 60.98 1ya5 s THR 92 Cb -0.14 -2.19 -0.01 0.00 0.01 0.00 0.00 72.50 70.16 1ya5 s THR 92 CO -0.03 0.50 0.34 0.00 -0.69 0.00 0.00 174.62 174.74 1ya5 s ALA 93 N -0.80 0.19 -0.11 7.40 0.00 -0.23 -4.83 121.76 123.38 1ya5 s ALA 93 Ca 0.13 -1.10 -0.04 0.00 0.00 0.00 0.00 51.96 50.95 1ya5 s ALA 93 Cb -0.11 1.10 -0.04 0.00 0.00 0.00 0.00 23.12 24.08 1ya5 s ALA 93 CO 0.02 -0.73 0.06 -1.21 0.00 0.00 0.00 175.76 173.90 1ya5 s GLU 94 N -4.04 3.26 -0.28 0.00 2.02 -1.26 0.41 118.70 118.81 1ya5 s GLU 94 Ca 0.25 -0.30 -0.11 0.00 0.02 0.00 0.00 54.97 54.83 1ya5 s GLU 94 Cb 0.02 -2.98 -0.05 0.00 0.10 0.00 0.00 34.13 31.22 1ya5 s GLU 94 CO 0.07 0.68 0.21 -1.17 0.02 0.00 0.00 175.26 175.08 1ya5 s LEU 95 N -0.78 4.03 -0.26 1.80 2.96 -0.16 -1.01 118.68 125.26 1ya5 s LEU 95 Ca 0.13 0.04 -0.02 0.00 -0.22 0.00 0.00 54.13 54.05 1ya5 s LEU 95 Cb -0.12 -2.16 0.03 0.00 0.50 0.00 0.00 46.19 44.44 1ya5 s LEU 95 CO 0.03 -0.06 -0.04 -0.76 -1.32 0.00 0.00 176.35 174.20 1ya5 s LEU 96 N 1.75 3.42 -0.27 -0.68 1.43 -0.07 -1.66 118.68 122.59 1ya5 s LEU 96 Ca 0.08 -0.96 -0.09 0.00 -1.03 0.00 0.00 54.13 52.13 1ya5 s LEU 96 Cb -0.16 -1.69 -0.04 0.00 0.03 0.00 0.00 46.19 44.33 1ya5 s LEU 96 CO 0.10 -0.17 0.14 -0.69 0.23 0.00 0.00 176.35 175.97 1ya5 s VAL 97 N 1.32 4.87 -0.20 -1.59 1.01 -1.26 -2.02 120.40 122.54 1ya5 s VAL 97 Ca -0.01 0.02 -0.11 0.00 0.00 0.00 0.00 61.98 61.88 1ya5 s VAL 97 Cb -0.17 -3.30 -0.05 0.00 0.00 0.00 0.00 36.38 32.85 1ya5 s VAL 97 CO -0.03 0.29 0.17 -0.54 0.00 0.00 0.00 175.10 174.99 1ya5 s LYS 98 N 1.68 4.19 0.56 2.72 -0.14 -0.47 -4.89 119.74 123.38 1ya5 s LYS 98 Ca 0.07 -0.15 -0.19 0.00 -1.36 0.00 0.00 55.97 54.33 1ya5 s LYS 98 Cb -0.16 -3.44 -0.05 0.00 -1.68 0.00 0.00 37.83 32.50 1ya5 s LYS 98 CO 0.08 0.25 1.17 0.00 -0.76 0.00 0.00 175.35 176.08 1ya5 s ALA 99 N 0.50 2.66 0.06 5.17 0.00 -1.26 -1.21 121.76 127.67 1ya5 s ALA 99 Ca 0.10 0.91 -0.26 0.00 0.00 0.00 0.00 51.96 52.71 1ya5 s ALA 99 Cb -0.12 -3.40 -0.05 0.00 0.00 0.00 0.00 23.12 19.55 1ya5 s ALA 99 CO 0.00 -0.92 0.80 -1.83 0.00 0.00 0.00 175.76 173.81 1ya5 s GLU 100 N -3.26 4.53 0.07 0.00 -1.05 -1.26 -4.88 118.70 112.86 1ya5 s GLU 100 Ca 0.74 1.14 -0.12 0.00 -0.15 0.00 0.00 54.97 56.58 1ya5 s GLU 100 Cb -0.27 -3.37 0.01 0.00 -0.44 0.00 0.00 34.13 30.07 1ya5 s GLU 100 CO 0.30 0.27 0.27 0.95 0.95 0.00 0.00 175.26 178.00 1ya5 s THR 101 N -0.04 0.10 -0.30 1.83 -4.23 -1.26 -4.66 115.64 107.09 1ya5 s THR 101 Ca 0.40 -0.84 -0.14 0.00 -1.18 0.00 0.00 61.69 59.94 1ya5 s THR 101 Cb -0.21 -1.08 0.14 0.00 1.34 0.00 0.00 72.50 72.70 1ya5 s THR 101 CO 0.24 -0.46 0.86 0.00 -0.54 0.00 0.00 174.62 174.73 1ya5 s ALA 102 N -3.10 -2.37 0.88 3.99 0.00 -0.28 -4.88 121.76 116.00 1ya5 s ALA 102 Ca -0.01 2.20 -0.12 0.00 0.00 0.00 0.00 51.96 54.02 1ya5 s ALA 102 Cb 0.01 -1.86 0.08 0.00 0.00 0.00 0.00 23.12 21.35 1ya5 s ALA 102 CO -0.07 -0.79 0.88 -0.35 0.00 0.00 0.00 175.76 175.43 1ya5 n PRO 103 N 4.82 -0.15 -1.66 0.00 -0.04 -1.26 -1.92 135.00 134.78 1ya5 n PRO 103 Ca -0.13 0.02 -0.46 0.00 -0.04 0.00 0.00 63.50 62.89 1ya5 n PRO 103 Cb 0.53 -2.18 -0.04 0.00 -0.04 0.00 0.00 33.50 31.77 1ya5 n PRO 103 CO 0.00 0.00 0.00 -2.30 -0.04 0.00 0.00 175.50 173.16 1ya5 n PRO 104 N -2.86 2.06 -4.81 0.54 -0.02 -1.26 -4.43 135.00 124.22 1ya5 n PRO 104 Ca 0.11 0.74 -0.26 0.00 -2.02 0.00 0.00 63.50 62.07 1ya5 n PRO 104 Cb 0.52 -2.47 -0.16 0.00 -0.02 0.00 0.00 33.50 31.36 1ya5 n PRO 104 CO 0.00 0.00 0.00 1.21 1.98 0.00 0.00 175.50 178.69 1ya5 s ASN 105 N 0.72 2.13 -0.72 2.55 3.04 -0.63 -4.70 114.94 117.33 1ya5 s ASN 105 Ca 0.76 -0.35 -0.20 0.00 0.04 0.00 0.00 52.86 53.11 1ya5 s ASN 105 Cb -0.69 -0.68 0.10 0.00 -1.54 0.00 0.00 41.25 38.44 1ya5 s ASN 105 CO 0.41 0.13 0.94 -0.36 -3.04 0.00 0.00 177.10 175.19 1ya5 s PHE 106 N 0.16 2.89 0.34 0.43 0.40 -1.26 -2.11 117.98 118.82 1ya5 s PHE 106 Ca -0.06 -0.90 0.21 0.00 -0.60 0.00 0.00 56.93 55.58 1ya5 s PHE 106 Cb -0.12 -4.21 1.08 0.00 0.51 0.00 0.00 43.02 40.27 1ya5 s PHE 106 CO 0.03 -1.51 1.93 0.28 0.70 0.00 0.00 175.22 176.65 1ya5 h VAL 107 N 5.90 0.81 -3.32 -0.44 2.07 -1.24 -3.39 116.25 116.63 1ya5 h VAL 107 Ca -0.16 -0.92 -0.37 0.00 0.82 0.00 0.00 66.70 66.07 1ya5 h VAL 107 Cb 1.06 1.55 -0.39 0.00 -1.52 0.00 0.00 31.29 32.00 1ya5 h VAL 107 CO 1.13 0.23 -0.74 -1.58 0.02 0.00 0.00 177.57 176.63 1ya5 s GLN 108 N -4.08 -0.07 0.25 1.57 0.74 -1.10 -4.91 119.66 112.07 1ya5 s GLN 108 Ca -0.02 0.36 -0.10 0.00 0.05 0.00 0.00 55.36 55.65 1ya5 s GLN 108 Cb 0.13 -0.50 -0.07 0.00 1.10 0.00 0.00 33.01 33.67 1ya5 s GLN 108 CO 0.65 -0.32 0.58 1.03 -0.55 0.00 0.00 175.29 176.68 1ya5 s ARG 109 N 2.09 3.81 0.29 1.67 0.52 -1.26 -2.00 118.95 124.07 1ya5 s ARG 109 Ca 0.04 0.31 -0.28 0.00 -0.52 0.00 0.00 55.73 55.29 1ya5 s ARG 109 Cb -0.12 -2.61 -0.14 0.00 0.52 0.00 0.00 34.95 32.60 1ya5 s ARG 109 CO -0.03 0.27 0.92 1.28 0.02 0.00 0.00 175.30 177.77 1ya5 n LEU 110 N -0.27 1.34 -4.13 2.53 4.32 -1.26 -4.84 117.00 114.69 1ya5 n LEU 110 Ca 0.01 1.15 -0.22 0.00 -0.02 0.00 0.00 56.01 56.93 1ya5 n LEU 110 Cb 0.53 -1.24 -0.15 0.00 -1.62 0.00 0.00 43.42 40.94 1ya5 n LEU 110 CO 0.45 -1.69 -0.48 -1.10 -1.22 0.00 0.00 177.39 173.36 1ya5 s GLN 111 N -1.51 1.14 0.70 3.23 -1.52 -1.26 -4.74 119.66 115.70 1ya5 s GLN 111 Ca 0.60 -0.61 -0.11 0.00 -1.95 0.00 0.00 55.36 53.29 1ya5 s GLN 111 Cb -0.72 -1.12 0.01 0.00 -0.22 0.00 0.00 33.01 30.96 1ya5 s GLN 111 CO 0.59 0.30 1.06 -1.54 -0.25 0.00 0.00 175.29 175.46 1ya5 s SER 112 N -0.59 5.31 0.03 5.90 1.04 -1.26 -4.83 113.70 119.30 1ya5 s SER 112 Ca 0.05 1.65 -0.25 0.00 0.48 0.00 0.00 55.95 57.88 1ya5 s SER 112 Cb -0.06 -2.50 0.06 0.00 0.10 0.00 0.00 66.02 63.62 1ya5 s SER 112 CO 0.00 -1.49 0.58 0.00 0.98 0.00 0.00 173.24 173.30 1ya5 s MET 113 N -4.98 1.06 -0.20 4.02 0.23 -0.85 -4.96 119.30 113.62 1ya5 s MET 113 Ca 0.59 -0.10 -0.05 0.00 -1.03 0.00 0.00 55.69 55.10 1ya5 s MET 113 Cb -0.14 0.49 -0.02 0.00 -1.53 0.00 0.00 34.83 33.62 1ya5 s MET 113 CO 0.54 -0.38 -0.01 0.99 -2.03 0.00 0.00 175.02 174.14 1ya5 s THR 114 N -2.14 3.86 0.11 3.16 2.01 -1.26 -1.97 115.64 119.40 1ya5 s THR 114 Ca -0.07 -0.35 0.05 0.00 0.31 0.00 0.00 61.69 61.64 1ya5 s THR 114 Cb -0.01 -2.74 -0.04 0.00 0.01 0.00 0.00 72.50 69.73 1ya5 s THR 114 CO 0.01 0.44 -0.12 0.68 -0.69 0.00 0.00 174.62 174.93 1ya5 s VAL 115 N 0.97 1.17 0.31 3.82 -7.23 -0.38 -5.01 120.40 114.05 1ya5 s VAL 115 Ca 0.01 -1.67 -0.27 0.00 -1.81 0.00 0.00 61.98 58.24 1ya5 s VAL 115 Cb -0.14 -1.45 -0.10 0.00 0.56 0.00 0.00 36.38 35.25 1ya5 s VAL 115 CO 0.01 -0.47 0.95 -0.13 -0.31 0.00 0.00 175.10 175.16 1ya5 s ARG 116 N -2.69 4.61 0.09 4.82 0.52 -1.26 0.63 118.95 125.66 1ya5 s ARG 116 Ca 0.07 1.38 -0.36 0.00 -0.52 0.00 0.00 55.73 56.30 1ya5 s ARG 116 Cb -0.04 -2.88 -0.17 0.00 0.52 0.00 0.00 34.95 32.38 1ya5 s ARG 116 CO 0.02 0.29 1.19 0.94 0.02 0.00 0.00 175.30 177.76 1ya5 n GLN 117 N 0.70 0.78 0.00 3.54 7.27 -0.41 -1.39 117.38 127.87 1ya5 n GLN 117 Ca 0.01 0.28 0.00 0.00 0.07 0.00 0.00 57.00 57.37 1ya5 n GLN 117 Cb 0.49 -1.82 0.00 0.00 2.41 0.00 0.00 30.24 31.32 1ya5 n GLN 117 CO 0.00 0.00 0.00 0.41 0.07 0.00 0.00 177.06 177.54 1ya5 n GLY 118 N 2.11 3.39 3.76 1.69 0.00 0.21 -4.92 105.19 111.42 1ya5 n GLY 118 Ca 0.18 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.83 1ya5 n GLY 118 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1ya5 s SER 119 N -0.80 5.61 0.21 1.61 0.01 -0.49 -4.07 113.70 115.79 1ya5 s SER 119 Ca 0.00 2.44 -0.30 0.00 1.31 0.00 0.00 55.95 59.40 1ya5 s SER 119 Cb 0.00 -2.61 -0.08 0.00 0.21 0.00 0.00 66.02 63.54 1ya5 s SER 119 CO 0.00 -1.31 1.00 -1.58 0.41 0.00 0.00 173.24 171.76 1ya5 s GLN 120 N -2.99 4.75 -0.08 12.44 0.74 -1.22 0.28 119.66 133.58 1ya5 s GLN 120 Ca 0.70 1.57 0.03 0.00 0.05 0.00 0.00 55.36 57.72 1ya5 s GLN 120 Cb -0.32 -3.28 0.00 0.00 1.10 0.00 0.00 33.01 30.51 1ya5 s GLN 120 CO 0.37 0.34 -0.19 0.08 -0.55 0.00 0.00 175.29 175.33 1ya5 s VAL 121 N -0.80 1.67 -0.21 1.34 1.01 -0.22 -4.97 120.40 118.22 1ya5 s VAL 121 Ca 0.44 -0.80 0.02 0.00 0.00 0.00 0.00 61.98 61.64 1ya5 s VAL 121 Cb -0.27 -1.47 0.04 0.00 0.00 0.00 0.00 36.38 34.68 1ya5 s VAL 121 CO 0.34 0.47 -0.16 -0.13 0.00 0.00 0.00 175.10 175.62 1ya5 s ARG 122 N 0.43 2.68 -0.58 2.72 0.52 -1.26 -1.63 118.95 121.83 1ya5 s ARG 122 Ca -0.16 -1.04 -0.10 0.00 -0.52 0.00 0.00 55.73 53.90 1ya5 s ARG 122 Cb -0.17 -2.72 0.15 0.00 0.52 0.00 0.00 34.95 32.74 1ya5 s ARG 122 CO 0.06 -0.36 0.47 -0.51 0.02 0.00 0.00 175.30 174.99 1ya5 s LEU 123 N 1.22 5.94 -0.05 2.53 1.43 -0.26 -4.95 118.68 124.53 1ya5 s LEU 123 Ca -0.01 -2.19 0.05 0.00 -1.03 0.00 0.00 54.13 50.95 1ya5 s LEU 123 Cb -0.16 -2.06 -0.02 0.00 0.03 0.00 0.00 46.19 43.98 1ya5 s LEU 123 CO -0.09 -0.65 -0.21 0.00 0.23 0.00 0.00 176.35 175.63 1ya5 s GLN 124 N 0.95 2.48 0.20 1.70 -2.07 -1.26 -1.47 119.66 120.18 1ya5 s GLN 124 Ca 0.09 -0.82 0.08 0.00 -1.82 0.00 0.00 55.36 52.90 1ya5 s GLN 124 Cb -0.23 -2.24 -0.04 0.00 -1.09 0.00 0.00 33.01 29.41 1ya5 s GLN 124 CO -0.02 0.50 -0.01 0.14 -1.32 0.00 0.00 175.29 174.58 1ya5 s VAL 125 N -0.45 3.57 -0.21 3.63 -7.23 -0.08 -4.42 120.40 115.21 1ya5 s VAL 125 Ca 0.05 -1.60 -0.02 0.00 -1.81 0.00 0.00 61.98 58.60 1ya5 s VAL 125 Cb -0.12 -2.82 -0.00 0.00 0.56 0.00 0.00 36.38 34.00 1ya5 s VAL 125 CO 0.01 -0.19 -0.09 -0.60 -0.31 0.00 0.00 175.10 173.93 1ya5 s ARG 126 N -3.14 3.27 -0.08 4.82 3.52 -0.84 -0.53 118.95 125.96 1ya5 s ARG 126 Ca 0.28 -0.68 0.01 0.00 -0.13 0.00 0.00 55.73 55.21 1ya5 s ARG 126 Cb -0.08 -2.89 0.02 0.00 -1.56 0.00 0.00 34.95 30.44 1ya5 s ARG 126 CO 0.18 -0.20 -0.09 0.08 -0.81 0.00 0.00 175.30 174.47 1ya5 s VAL 127 N 1.41 0.99 0.45 7.11 1.01 0.12 -0.60 120.40 130.90 1ya5 s VAL 127 Ca 0.05 -0.33 0.07 0.00 0.00 0.00 0.00 61.98 61.77 1ya5 s VAL 127 Cb -0.14 -0.97 -0.01 0.00 0.00 0.00 0.00 36.38 35.26 1ya5 s VAL 127 CO -0.06 0.34 0.35 0.42 0.00 0.00 0.00 175.10 176.15 1ya5 s THR 128 N 1.19 2.37 0.00 3.92 -4.23 -0.90 -4.67 115.64 113.32 1ya5 s THR 128 Ca -0.05 -1.44 0.00 0.00 -1.18 0.00 0.00 61.69 59.02 1ya5 s THR 128 Cb -0.14 -2.81 0.00 0.00 1.34 0.00 0.00 72.50 70.89 1ya5 s THR 128 CO -0.02 0.00 0.00 0.61 -0.54 0.00 0.00 174.62 174.67 1ya5 n GLY 129 N -1.54 3.50 3.27 3.99 0.00 -1.26 -1.61 105.19 111.54 1ya5 n GLY 129 Ca 0.02 -0.23 -0.35 0.00 0.00 0.00 0.00 46.02 45.46 1ya5 n GLY 129 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1ya5 s ILE 130 N 0.00 3.12 1.08 -0.61 1.01 -0.81 -2.22 121.20 122.77 1ya5 s ILE 130 Ca 0.00 -0.58 -0.14 0.00 0.00 0.00 0.00 60.65 59.93 1ya5 s ILE 130 Cb 0.00 -2.40 0.16 0.00 0.01 0.00 0.00 42.46 40.23 1ya5 s ILE 130 CO 0.00 0.44 0.60 -2.65 0.00 0.00 0.00 174.94 173.34 1ya5 n PRO 131 N 4.76 -1.48 -1.68 2.79 -0.02 -1.26 -1.12 135.00 136.99 1ya5 n PRO 131 Ca -0.19 -0.40 -0.47 0.00 -2.02 0.00 0.00 63.50 60.43 1ya5 n PRO 131 Cb 0.51 -1.99 -0.04 0.00 -0.02 0.00 0.00 33.50 31.95 1ya5 n PRO 131 CO 0.00 0.00 0.00 2.41 1.98 0.00 0.00 175.50 179.89 1ya5 n THR 132 N -4.44 0.41 -2.07 3.45 -1.04 -0.94 -4.90 114.28 104.75 1ya5 n THR 132 Ca 0.04 -0.07 -0.37 0.00 -2.04 0.00 0.00 64.05 61.61 1ya5 n THR 132 Cb 0.56 -1.83 0.02 0.00 -1.82 0.00 0.00 70.33 67.26 1ya5 n THR 132 CO 0.00 0.00 0.00 -2.84 -0.64 0.00 0.00 175.07 171.59 1ya5 s PRO 133 N 3.08 3.28 -0.15 -2.82 0.02 -1.26 -4.88 135.00 132.27 1ya5 s PRO 133 Ca 0.88 1.87 -0.29 0.00 0.02 0.00 0.00 61.00 63.47 1ya5 s PRO 133 Cb -0.65 -2.14 -0.01 0.00 0.02 0.00 0.00 34.50 31.71 1ya5 s PRO 133 CO 0.46 -0.97 1.21 0.08 -0.33 0.00 0.00 177.00 177.44 1ya5 s VAL 134 N -1.54 4.36 0.05 3.83 1.01 0.32 -4.83 120.40 123.61 1ya5 s VAL 134 Ca 0.72 1.65 0.05 0.00 0.00 0.00 0.00 61.98 64.40 1ya5 s VAL 134 Cb -0.31 -4.07 -0.04 0.00 0.00 0.00 0.00 36.38 31.97 1ya5 s VAL 134 CO 0.36 -0.11 -0.06 0.68 0.00 0.00 0.00 175.10 175.96 1ya5 s VAL 135 N 3.17 3.66 -0.01 2.92 -7.23 -1.26 -1.71 120.40 119.94 1ya5 s VAL 135 Ca 0.53 -0.96 0.01 0.00 -1.81 0.00 0.00 61.98 59.74 1ya5 s VAL 135 Cb -0.21 -2.66 0.01 0.00 0.56 0.00 0.00 36.38 34.08 1ya5 s VAL 135 CO 0.15 0.25 -0.01 -0.54 -0.31 0.00 0.00 175.10 174.63 1ya5 s LYS 136 N -1.85 0.20 0.01 4.82 1.02 0.25 -4.96 119.74 119.22 1ya5 s LYS 136 Ca 0.20 -0.03 -0.06 0.00 0.02 0.00 0.00 55.97 56.10 1ya5 s LYS 136 Cb -0.11 -0.25 -0.05 0.00 -0.52 0.00 0.00 37.83 36.90 1ya5 s LYS 136 CO 0.12 -0.00 0.27 -0.06 -0.92 0.00 0.00 175.35 174.75 1ya5 s PHE 137 N 0.25 3.58 0.04 3.18 0.40 -1.26 0.44 117.98 124.61 1ya5 s PHE 137 Ca -0.02 0.57 0.04 0.00 -0.60 0.00 0.00 56.93 56.92 1ya5 s PHE 137 Cb -0.04 -1.99 -0.02 0.00 0.51 0.00 0.00 43.02 41.48 1ya5 s PHE 137 CO -0.01 0.61 -0.12 0.71 0.70 0.00 0.00 175.22 177.12 1ya5 s TYR 138 N -1.30 1.00 -0.08 0.36 2.02 0.40 -1.71 117.35 118.03 1ya5 s TYR 138 Ca 0.28 -0.37 0.03 0.00 -0.37 0.00 0.00 57.07 56.63 1ya5 s TYR 138 Cb -0.13 -0.59 0.01 0.00 -0.40 0.00 0.00 41.96 40.85 1ya5 s TYR 138 CO 0.16 0.00 -0.15 0.50 -1.57 0.00 0.00 175.55 174.49 1ya5 s ARG 139 N -1.22 2.08 -1.37 -0.62 3.52 -0.01 -1.13 118.95 120.20 1ya5 s ARG 139 Ca -0.02 -0.54 -0.11 0.00 -0.13 0.00 0.00 55.73 54.93 1ya5 s ARG 139 Cb -0.08 -1.68 0.11 0.00 -1.56 0.00 0.00 34.95 31.74 1ya5 s ARG 139 CO 0.01 0.04 0.28 -0.25 -0.81 0.00 0.00 175.30 174.58 1ya5 n ASP 140 N 3.82 -0.58 0.00 -2.12 10.43 0.28 -0.99 116.55 127.39 1ya5 n ASP 140 Ca -0.21 -0.98 0.00 0.00 2.57 0.00 0.00 54.79 56.17 1ya5 n ASP 140 Cb 0.52 -1.24 0.00 0.00 1.84 0.00 0.00 41.12 42.24 1ya5 n ASP 140 CO 0.00 0.00 0.00 0.61 -1.07 0.00 0.00 177.20 176.74 1ya5 n GLY 141 N -1.44 1.46 3.78 0.44 0.00 -1.26 -5.02 105.19 103.15 1ya5 n GLY 141 Ca -0.04 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.67 1ya5 n GLY 141 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1ya5 s ALA 142 N -3.51 3.59 0.10 4.61 0.00 -0.17 -5.05 121.76 121.33 1ya5 s ALA 142 Ca 0.00 -0.97 -0.31 0.00 0.00 0.00 0.00 51.96 50.68 1ya5 s ALA 142 Cb 0.00 -1.48 -0.07 0.00 0.00 0.00 0.00 23.12 21.57 1ya5 s ALA 142 CO 0.00 0.74 1.24 -2.00 0.00 0.00 0.00 175.76 175.75 1ya5 s GLU 143 N -2.26 4.42 -1.03 0.00 2.12 -1.26 -0.83 118.70 119.86 1ya5 s GLU 143 Ca 0.28 1.86 -0.19 0.00 0.36 0.00 0.00 54.97 57.29 1ya5 s GLU 143 Cb -0.12 -3.30 0.12 0.00 0.26 0.00 0.00 34.13 31.08 1ya5 s GLU 143 CO 0.21 -0.27 1.29 0.42 -0.54 0.00 0.00 175.26 176.37 1ya5 s ILE 144 N 0.86 4.59 -0.34 -3.70 1.01 -0.70 -4.79 121.20 118.13 1ya5 s ILE 144 Ca 0.59 -1.64 -0.01 0.00 0.00 0.00 0.00 60.65 59.58 1ya5 s ILE 144 Cb -0.32 -4.89 0.19 0.00 0.01 0.00 0.00 42.46 37.45 1ya5 s ILE 144 CO 0.31 -1.65 2.16 0.00 0.00 0.00 0.00 174.94 175.75 1ya5 n GLN 145 N 6.96 1.92 -3.35 2.79 6.02 -1.26 -4.69 117.38 125.78 1ya5 n GLN 145 Ca 0.30 -1.72 -0.26 0.00 -0.01 0.00 0.00 57.00 55.31 1ya5 n GLN 145 Cb 0.48 -1.72 0.03 0.00 1.02 0.00 0.00 30.24 30.05 1ya5 n GLN 145 CO 0.00 0.00 0.00 0.45 -1.01 0.00 0.00 177.06 176.50 1ya5 n SER 146 N 0.43 -6.07 -4.61 1.08 2.88 -1.26 -5.03 113.62 101.04 1ya5 n SER 146 Ca 0.34 0.09 -0.27 0.00 -1.33 0.00 0.00 58.87 57.70 1ya5 n SER 146 Cb 0.58 -2.13 -0.09 0.00 -0.75 0.00 0.00 64.21 61.82 1ya5 n SER 146 CO 0.00 0.00 0.00 -0.55 -1.23 0.00 0.00 175.04 173.26 1ya5 s SER 147 N -1.48 4.50 0.42 -3.46 0.15 -1.26 -4.93 113.70 107.64 1ya5 s SER 147 Ca 0.27 -0.47 0.00 0.00 0.70 0.00 0.00 55.95 56.45 1ya5 s SER 147 Cb -0.03 -0.87 0.00 0.00 -1.71 0.00 0.00 66.02 63.41 1ya5 s SER 147 CO 0.67 0.11 0.00 -0.11 1.20 0.00 0.00 173.24 175.11 1ya5 n LEU 148 N 0.06 0.00 -0.45 3.45 7.94 -1.26 -3.62 117.00 123.12 1ya5 n LEU 148 Ca -0.11 0.00 0.00 0.00 -1.11 0.00 0.00 56.01 54.79 1ya5 n LEU 148 Cb 0.55 0.00 0.00 0.00 0.53 0.00 0.00 43.42 44.50 1ya5 n LEU 148 CO 0.36 0.00 0.00 -0.67 -1.11 0.00 0.00 177.39 175.97 1ya5 n ASP 149 N -3.04 0.00 -2.72 1.96 -0.08 -1.26 -3.73 116.55 107.69 1ya5 n ASP 149 Ca 0.00 0.00 -0.25 0.00 -1.51 0.00 0.00 54.79 53.03 1ya5 n ASP 149 Cb 0.00 0.00 -0.01 0.00 2.34 0.00 0.00 41.12 43.45 1ya5 n ASP 149 CO 0.00 0.00 0.00 0.49 0.12 0.00 0.00 177.20 177.81 1ya5 n PHE 150 N 0.33 3.28 -1.91 -0.67 3.01 -1.24 -3.71 117.46 116.55 1ya5 n PHE 150 Ca 0.00 -3.48 -0.43 0.00 1.01 0.00 0.00 57.45 54.56 1ya5 n PHE 150 Cb 0.00 -0.28 -0.03 0.00 -0.01 0.00 0.00 39.48 39.16 1ya5 n PHE 150 CO 0.00 0.00 0.00 -0.65 1.01 0.00 0.00 176.76 177.12 1ya5 s GLN 151 N -3.41 3.68 -0.14 -1.08 -1.52 -0.74 -4.62 119.66 111.83 1ya5 s GLN 151 Ca 0.46 1.91 -0.17 0.00 -1.95 0.00 0.00 55.36 55.61 1ya5 s GLN 151 Cb 0.36 -4.14 -0.04 0.00 -0.22 0.00 0.00 33.01 28.96 1ya5 s GLN 151 CO -0.15 -1.45 0.42 0.42 -0.25 0.00 0.00 175.29 174.29 1ya5 s ILE 152 N 5.85 5.22 0.32 1.08 1.01 -1.26 -1.04 121.20 132.38 1ya5 s ILE 152 Ca 0.82 0.82 0.04 0.00 0.00 0.00 0.00 60.65 62.32 1ya5 s ILE 152 Cb -0.30 -3.76 -0.03 0.00 0.01 0.00 0.00 42.46 38.38 1ya5 s ILE 152 CO 0.33 0.33 0.18 -0.94 0.00 0.00 0.00 174.94 174.84 1ya5 s SER 153 N 0.64 1.68 -0.01 3.58 1.04 -0.64 -5.00 113.70 114.98 1ya5 s SER 153 Ca 0.23 -1.61 -0.02 0.00 0.48 0.00 0.00 55.95 55.03 1ya5 s SER 153 Cb -0.14 0.44 0.00 0.00 0.10 0.00 0.00 66.02 66.42 1ya5 s SER 153 CO 0.08 -0.93 0.04 -1.58 0.98 0.00 0.00 173.24 171.83 1ya5 s GLN 154 N -3.73 0.10 -0.38 4.02 0.74 -1.26 -1.74 119.66 117.40 1ya5 s GLN 154 Ca 0.35 -0.04 0.02 0.00 0.05 0.00 0.00 55.36 55.74 1ya5 s GLN 154 Cb 0.04 0.04 0.15 0.00 1.10 0.00 0.00 33.01 34.35 1ya5 s GLN 154 CO 0.19 -0.02 0.31 -2.00 -0.55 0.00 0.00 175.29 173.22 1ya5 s GLU 155 N -0.23 0.70 6.86 1.67 2.12 0.79 -4.99 118.70 125.62 1ya5 s GLU 155 Ca -0.03 -1.46 0.00 0.00 0.36 0.00 0.00 54.97 53.84 1ya5 s GLU 155 Cb -0.02 -1.16 0.00 0.00 0.26 0.00 0.00 34.13 33.22 1ya5 s GLU 155 CO -0.00 -1.27 0.00 0.41 -0.54 0.00 0.00 175.26 173.86 1ya5 n GLY 156 N 3.66 1.55 0.83 -1.50 0.00 -1.26 -2.76 105.19 105.71 1ya5 n GLY 156 Ca 0.18 -0.48 0.07 0.00 0.00 0.00 0.00 46.02 45.78 1ya5 n GLY 156 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 1ya5 n ASP 157 N 6.98 2.40 -4.51 1.61 5.68 -1.26 -4.82 116.55 122.64 1ya5 n ASP 157 Ca 0.00 -2.05 -0.41 0.00 -0.50 0.00 0.00 54.79 51.83 1ya5 n ASP 157 Cb 0.00 -0.31 -0.10 0.00 -1.14 0.00 0.00 41.12 39.56 1ya5 n ASP 157 CO 0.00 0.00 0.00 -0.22 -1.33 0.00 0.00 177.20 175.65 1ya5 s LEU 158 N -1.06 4.73 -0.12 -2.12 2.96 -1.11 0.15 118.68 122.10 1ya5 s LEU 158 Ca 0.29 -0.58 -0.02 0.00 -0.22 0.00 0.00 54.13 53.59 1ya5 s LEU 158 Cb 0.16 -2.15 -0.03 0.00 0.50 0.00 0.00 46.19 44.67 1ya5 s LEU 158 CO 0.18 -0.31 -0.06 -0.31 -1.32 0.00 0.00 176.35 174.53 1ya5 s TYR 159 N 1.72 2.98 -0.03 5.38 1.51 0.31 -0.15 117.35 129.07 1ya5 s TYR 159 Ca 0.06 -0.22 0.01 0.00 -1.01 0.00 0.00 57.07 55.91 1ya5 s TYR 159 Cb -0.18 -1.86 0.01 0.00 -0.11 0.00 0.00 41.96 39.82 1ya5 s TYR 159 CO 0.10 0.08 -0.05 0.45 -1.11 0.00 0.00 175.55 175.02 1ya5 s SER 160 N -0.05 0.79 -0.17 2.29 0.15 -0.71 -0.90 113.70 115.10 1ya5 s SER 160 Ca 0.01 -0.11 -0.13 0.00 0.70 0.00 0.00 55.95 56.42 1ya5 s SER 160 Cb -0.13 -0.29 -0.05 0.00 -1.71 0.00 0.00 66.02 63.84 1ya5 s SER 160 CO 0.03 -0.01 0.25 -0.22 1.20 0.00 0.00 173.24 174.49 1ya5 s LEU 161 N 0.53 4.24 -0.15 3.45 2.96 -0.54 -1.62 118.68 127.55 1ya5 s LEU 161 Ca -0.07 0.44 -0.01 0.00 -0.22 0.00 0.00 54.13 54.27 1ya5 s LEU 161 Cb -0.10 -2.30 -0.01 0.00 0.50 0.00 0.00 46.19 44.28 1ya5 s LEU 161 CO -0.00 0.12 -0.13 -0.22 -1.32 0.00 0.00 176.35 174.81 1ya5 s LEU 162 N 0.42 2.64 -0.26 -0.68 2.96 -0.21 -1.11 118.68 122.45 1ya5 s LEU 162 Ca 0.14 -0.40 -0.01 0.00 -0.22 0.00 0.00 54.13 53.65 1ya5 s LEU 162 Cb -0.12 -1.61 0.04 0.00 0.50 0.00 0.00 46.19 45.00 1ya5 s LEU 162 CO 0.02 0.10 -0.06 -0.63 -1.32 0.00 0.00 176.35 174.47 1ya5 s ILE 163 N 0.73 2.73 -0.01 6.68 1.01 -0.64 -1.79 121.20 129.91 1ya5 s ILE 163 Ca -0.06 -1.24 -0.25 0.00 0.00 0.00 0.00 60.65 59.10 1ya5 s ILE 163 Cb -0.15 -2.47 -0.18 0.00 0.01 0.00 0.00 42.46 39.66 1ya5 s ILE 163 CO 0.02 0.08 1.27 0.00 0.00 0.00 0.00 174.94 176.31 1ya5 h ALA 164 N 7.96 -0.12 -3.39 9.38 0.00 -1.85 -0.57 119.26 130.67 1ya5 h ALA 164 Ca -0.27 -0.20 -0.54 0.00 0.00 0.00 0.00 54.91 53.89 1ya5 h ALA 164 Cb 1.08 0.05 -0.34 0.00 0.00 0.00 0.00 17.79 18.58 1ya5 h ALA 164 CO 0.54 -0.36 -0.82 -1.21 0.00 0.00 0.00 179.25 177.40 1ya5 s GLU 165 N -4.46 1.87 0.02 0.00 8.01 -1.26 -3.44 118.70 119.44 1ya5 s GLU 165 Ca -0.15 -0.47 -0.28 0.00 0.01 0.00 0.00 54.97 54.09 1ya5 s GLU 165 Cb 0.02 -1.54 -0.04 0.00 -4.31 0.00 0.00 34.13 28.26 1ya5 s GLU 165 CO 0.62 0.02 0.88 0.00 0.01 0.00 0.00 175.26 176.80 1ya5 s ALA 166 N 0.69 3.25 0.12 5.21 0.00 0.14 -4.85 121.76 126.33 1ya5 s ALA 166 Ca -0.14 0.42 0.05 0.00 0.00 0.00 0.00 51.96 52.29 1ya5 s ALA 166 Cb -0.16 -3.19 -0.04 0.00 0.00 0.00 0.00 23.12 19.74 1ya5 s ALA 166 CO 0.03 -0.11 0.06 0.71 0.00 0.00 0.00 175.76 176.46 1ya5 s TYR 167 N 0.55 3.06 0.38 0.00 1.51 -1.26 -0.62 117.35 120.97 1ya5 s TYR 167 Ca 0.46 -0.02 0.05 0.00 -1.01 0.00 0.00 57.07 56.54 1ya5 s TYR 167 Cb -0.21 -1.52 0.74 0.00 -0.11 0.00 0.00 41.96 40.86 1ya5 s TYR 167 CO 0.26 0.51 2.02 -1.35 -1.11 0.00 0.00 175.55 175.88 1ya5 h PRO 168 N 2.99 0.67 0.00 -1.71 0.11 -1.96 -0.83 132.00 131.26 1ya5 h PRO 168 Ca -0.47 -0.05 0.00 0.00 0.11 0.00 0.00 66.00 65.59 1ya5 h PRO 168 Cb 1.18 -0.15 0.00 0.00 0.11 0.00 0.00 31.00 32.14 1ya5 h PRO 168 CO 0.62 0.46 0.00 0.39 -0.21 0.00 0.00 178.00 179.26 1ya5 n GLU 169 N -4.45 0.19 0.23 1.05 4.71 -1.26 -2.08 120.64 119.04 1ya5 n GLU 169 Ca 0.04 0.49 0.16 0.00 -0.01 0.00 0.00 57.16 57.84 1ya5 n GLU 169 Cb 0.06 -1.92 0.65 0.00 -1.01 0.00 0.00 31.44 29.23 1ya5 n GLU 169 CO 0.00 0.00 0.00 -0.44 0.09 0.00 0.00 177.13 176.78 1ya5 h ASP 170 N 0.00 0.00 -3.11 1.62 3.45 -1.54 -3.45 116.42 113.39 1ya5 h ASP 170 Ca 0.00 0.00 -0.57 0.00 0.43 0.00 0.00 57.03 56.89 1ya5 h ASP 170 Cb 0.28 0.00 0.10 0.00 -0.56 0.00 0.00 39.33 39.15 1ya5 h ASP 170 CO 0.00 0.00 0.64 -1.20 -1.57 0.00 0.00 179.24 177.11 1ya5 n SER 171 N -2.79 3.04 0.00 6.45 7.64 -0.88 -4.91 113.62 122.17 1ya5 n SER 171 Ca 0.01 1.17 0.00 0.00 1.01 0.00 0.00 58.87 61.06 1ya5 n SER 171 Cb 0.26 -1.49 0.00 0.00 -1.01 0.00 0.00 64.21 61.97 1ya5 n SER 171 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1ya5 n GLY 172 N 1.53 -1.11 3.54 0.23 0.00 0.76 -4.96 105.19 105.17 1ya5 n GLY 172 Ca 0.08 -0.94 -0.39 0.00 0.00 0.00 0.00 46.02 44.76 1ya5 n GLY 172 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1ya5 s THR 173 N -3.00 5.21 0.12 2.61 2.01 -1.26 0.50 115.64 121.83 1ya5 s THR 173 Ca 0.00 -0.12 -0.03 0.00 0.31 0.00 0.00 61.69 61.84 1ya5 s THR 173 Cb 0.00 -3.61 -0.05 0.00 0.01 0.00 0.00 72.50 68.85 1ya5 s THR 173 CO 0.00 0.08 0.33 -0.31 -0.69 0.00 0.00 174.62 174.03 1ya5 s TYR 174 N 1.72 3.48 -0.10 4.92 1.51 0.22 -0.56 117.35 128.55 1ya5 s TYR 174 Ca 0.06 0.47 -0.08 0.00 -1.01 0.00 0.00 57.07 56.51 1ya5 s TYR 174 Cb -0.17 -1.94 0.03 0.00 -0.11 0.00 0.00 41.96 39.77 1ya5 s TYR 174 CO 0.10 0.47 0.25 -1.54 -1.11 0.00 0.00 175.55 173.72 1ya5 s SER 175 N -2.47 -0.27 -0.08 2.29 1.04 -0.28 -0.50 113.70 113.43 1ya5 s SER 175 Ca 0.39 0.51 0.04 0.00 0.48 0.00 0.00 55.95 57.38 1ya5 s SER 175 Cb -0.12 0.50 -0.01 0.00 0.10 0.00 0.00 66.02 66.48 1ya5 s SER 175 CO 0.26 -0.10 -0.19 0.54 0.98 0.00 0.00 173.24 174.72 1ya5 s VAL 176 N 0.33 2.55 0.04 5.02 0.11 -0.11 0.15 120.40 128.49 1ya5 s VAL 176 Ca -0.02 -0.88 0.05 0.00 -2.93 0.00 0.00 61.98 58.20 1ya5 s VAL 176 Cb -0.03 -1.99 -0.04 0.00 -1.53 0.00 0.00 36.38 32.80 1ya5 s VAL 176 CO -0.01 0.56 -0.09 0.21 -3.33 0.00 0.00 175.10 172.45 1ya5 s ASN 177 N -0.15 4.48 -0.11 3.54 2.47 0.17 -1.65 114.94 123.69 1ya5 s ASN 177 Ca -0.02 -0.24 -0.00 0.00 0.42 0.00 0.00 52.86 53.02 1ya5 s ASN 177 Cb -0.14 -0.97 0.02 0.00 -1.45 0.00 0.00 41.25 38.72 1ya5 s ASN 177 CO 0.04 0.25 -0.08 0.00 -3.72 0.00 0.00 177.10 173.59 1ya5 s ALA 178 N -1.05 1.28 0.09 1.71 0.00 -0.17 -0.59 121.76 123.02 1ya5 s ALA 178 Ca 0.18 -0.51 0.02 0.00 0.00 0.00 0.00 51.96 51.65 1ya5 s ALA 178 Cb -0.11 -0.86 -0.04 0.00 0.00 0.00 0.00 23.12 22.11 1ya5 s ALA 178 CO 0.09 -0.36 -0.07 0.95 0.00 0.00 0.00 175.76 176.38 1ya5 s THR 179 N 1.60 0.66 0.00 0.00 -4.23 -0.69 -0.55 115.64 112.42 1ya5 s THR 179 Ca 0.03 -1.76 0.00 0.00 -1.18 0.00 0.00 61.69 58.78 1ya5 s THR 179 Cb -0.13 -1.46 0.00 0.00 1.34 0.00 0.00 72.50 72.25 1ya5 s THR 179 CO -0.07 -0.77 0.00 -0.46 -0.54 0.00 0.00 174.62 172.78 1ya5 n ASN 180 N 0.27 0.00 0.29 3.99 0.23 -0.61 -0.52 115.26 118.90 1ya5 n ASN 180 Ca -0.14 -0.10 0.18 0.00 -0.53 0.00 0.00 54.58 53.99 1ya5 n ASN 180 Cb 0.60 0.00 0.77 0.00 -2.08 0.00 0.00 39.78 39.06 1ya5 n ASN 180 CO 0.00 0.00 0.00 0.77 -0.93 0.00 0.00 177.26 177.10 1ya5 h SER 181 N 0.00 0.00 -0.93 0.53 4.64 -1.91 -3.15 113.55 112.74 1ya5 h SER 181 Ca 0.00 0.00 -0.44 0.00 -0.47 0.00 0.00 61.79 60.88 1ya5 h SER 181 Cb 0.00 0.00 -0.41 0.00 -0.31 0.00 0.00 62.40 61.68 1ya5 h SER 181 CO 0.00 0.02 -0.96 1.33 -0.87 0.00 0.00 176.83 176.34 1ya5 n VAL 182 N -3.13 1.80 0.00 0.95 0.24 -1.26 -5.08 118.33 111.85 1ya5 n VAL 182 Ca -0.00 -3.80 0.00 0.00 -2.04 0.00 0.00 64.34 58.50 1ya5 n VAL 182 Cb 0.27 -0.13 0.00 0.00 -1.47 0.00 0.00 33.84 32.51 1ya5 n VAL 182 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 1ya5 n GLY 183 N -0.46 4.37 3.13 7.63 0.00 -1.19 -4.24 105.19 114.42 1ya5 n GLY 183 Ca 0.25 -1.49 -0.10 0.00 0.00 0.00 0.00 46.02 44.68 1ya5 n GLY 183 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 1ya5 s ARG 184 N -2.97 0.72 -0.04 1.61 1.70 -1.26 -1.58 118.95 117.13 1ya5 s ARG 184 Ca 0.00 -1.19 -0.12 0.00 -0.47 0.00 0.00 55.73 53.95 1ya5 s ARG 184 Cb 0.00 -0.12 0.02 0.00 -0.57 0.00 0.00 34.95 34.28 1ya5 s ARG 184 CO 0.00 -0.03 0.28 0.00 -1.08 0.00 0.00 175.30 174.48 1ya5 s ALA 185 N -3.22 -0.71 -0.03 7.88 0.00 0.28 -4.87 121.76 121.09 1ya5 s ALA 185 Ca 0.06 0.43 0.01 0.00 0.00 0.00 0.00 51.96 52.45 1ya5 s ALA 185 Cb 0.03 -0.10 0.03 0.00 0.00 0.00 0.00 23.12 23.07 1ya5 s ALA 185 CO -0.05 -0.22 -0.01 0.99 0.00 0.00 0.00 175.76 176.48 1ya5 s THR 186 N -0.87 0.22 -0.13 0.00 2.01 -1.26 -1.00 115.64 114.60 1ya5 s THR 186 Ca -0.09 0.05 0.02 0.00 0.31 0.00 0.00 61.69 61.98 1ya5 s THR 186 Cb -0.05 -0.30 0.01 0.00 0.01 0.00 0.00 72.50 72.17 1ya5 s THR 186 CO 0.03 0.15 -0.21 -0.55 -0.69 0.00 0.00 174.62 173.34 1ya5 s SER 187 N 0.95 3.19 0.03 3.53 0.15 -0.66 -5.00 113.70 115.89 1ya5 s SER 187 Ca -0.10 -0.58 0.07 0.00 0.70 0.00 0.00 55.95 56.05 1ya5 s SER 187 Cb -0.13 -1.46 -0.02 0.00 -1.71 0.00 0.00 66.02 62.70 1ya5 s SER 187 CO -0.01 0.10 -0.21 0.42 1.20 0.00 0.00 173.24 174.73 1ya5 s THR 188 N 0.72 1.69 0.06 6.45 -4.23 -1.26 -0.93 115.64 118.14 1ya5 s THR 188 Ca -0.09 -1.14 0.01 0.00 -1.18 0.00 0.00 61.69 59.29 1ya5 s THR 188 Cb -0.16 -1.45 -0.04 0.00 1.34 0.00 0.00 72.50 72.19 1ya5 s THR 188 CO 0.00 0.28 -0.05 0.00 -0.54 0.00 0.00 174.62 174.31 1ya5 s ALA 189 N -0.73 0.63 -0.15 3.99 0.00 0.34 -4.86 121.76 120.98 1ya5 s ALA 189 Ca 0.08 -1.12 -0.08 0.00 0.00 0.00 0.00 51.96 50.84 1ya5 s ALA 189 Cb -0.09 0.18 -0.04 0.00 0.00 0.00 0.00 23.12 23.17 1ya5 s ALA 189 CO 0.01 -0.25 0.11 -1.21 0.00 0.00 0.00 175.76 174.43 1ya5 s GLU 190 N -3.26 3.73 -0.16 0.00 2.02 -1.26 0.70 118.70 120.48 1ya5 s GLU 190 Ca 0.03 -0.22 -0.02 0.00 0.02 0.00 0.00 54.97 54.79 1ya5 s GLU 190 Cb 0.02 -3.24 -0.02 0.00 0.10 0.00 0.00 34.13 31.00 1ya5 s GLU 190 CO -0.06 0.54 -0.09 -1.17 0.02 0.00 0.00 175.26 174.50 1ya5 s LEU 191 N -0.34 2.86 -0.21 1.80 2.96 0.18 -2.00 118.68 123.92 1ya5 s LEU 191 Ca 0.11 -0.30 -0.04 0.00 -0.22 0.00 0.00 54.13 53.68 1ya5 s LEU 191 Cb -0.12 -1.67 -0.01 0.00 0.50 0.00 0.00 46.19 44.89 1ya5 s LEU 191 CO 0.01 0.12 -0.04 -0.22 -1.32 0.00 0.00 176.35 174.91 1ya5 s LEU 192 N 0.61 2.94 -0.47 -0.68 2.96 -0.83 -0.17 118.68 123.04 1ya5 s LEU 192 Ca -0.06 -0.36 -0.19 0.00 -0.22 0.00 0.00 54.13 53.30 1ya5 s LEU 192 Cb -0.15 -1.75 0.04 0.00 0.50 0.00 0.00 46.19 44.83 1ya5 s LEU 192 CO 0.03 0.00 0.61 -0.69 -1.32 0.00 0.00 176.35 174.98 1ya5 s VAL 193 N 1.36 4.88 -0.34 1.68 1.01 -1.26 -1.25 120.40 126.49 1ya5 s VAL 193 Ca 0.04 -0.25 -0.27 0.00 0.00 0.00 0.00 61.98 61.50 1ya5 s VAL 193 Cb -0.14 -4.23 0.01 0.00 0.00 0.00 0.00 36.38 32.02 1ya5 s VAL 193 CO -0.02 -0.68 0.98 -1.10 0.00 0.00 0.00 175.10 174.28 1ya5 s GLN 194 N 2.64 3.97 0.00 2.72 -0.21 0.20 -4.63 119.66 124.36 1ya5 s GLN 194 Ca 0.17 0.82 0.00 0.00 0.02 0.00 0.00 55.36 56.38 1ya5 s GLN 194 Cb -0.17 -3.76 0.00 0.00 1.00 0.00 0.00 33.01 30.08 1ya5 s GLN 194 CO 0.15 -0.89 0.00 0.41 -2.12 0.00 0.00 175.29 172.84 1ya5 n GLY 195 N 4.11 -3.28 0.00 3.09 0.00 -1.26 -1.29 105.19 106.55 1ya5 n GLY 195 Ca 0.09 -1.08 0.00 0.00 0.00 0.00 0.00 46.02 45.03 1ya5 n GLY 195 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1ya5 n GLU 196 N -1.63 0.00 0.00 1.61 1.02 -1.26 -4.52 120.64 115.87 1ya5 n GLU 196 Ca 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.14 1ya5 n GLU 196 Cb 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 31.44 31.42 1ya5 n GLU 196 CO 0.00 0.00 0.00 -2.37 1.18 0.00 0.00 177.13 175.94