#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1bx2 n ARG 4 N 0.00 0.00 -1.85 -2.82 1.85 -1.26 -4.94 116.66 107.65 1bx2 n ARG 4 Ca 0.00 0.00 -0.31 0.00 -1.00 0.00 0.00 57.85 56.54 1bx2 n ARG 4 Cb 0.00 -0.88 0.02 0.00 -1.05 0.00 0.00 32.46 30.55 1bx2 n ARG 4 CO 0.00 0.00 0.00 -1.25 -0.01 0.00 0.00 177.63 176.37 1bx2 s PRO 5 N -1.62 3.32 0.16 2.89 0.05 -1.26 -5.08 135.00 133.46 1bx2 s PRO 5 Ca 0.38 0.68 0.08 0.00 0.05 0.00 0.00 61.00 62.19 1bx2 s PRO 5 Cb -0.21 -2.05 -0.04 0.00 0.05 0.00 0.00 34.50 32.25 1bx2 s PRO 5 CO 0.71 -0.75 -0.08 1.03 0.05 0.00 0.00 177.00 177.95 1bx2 s ARG 6 N -5.22 2.13 -0.07 4.56 1.81 -1.26 -5.13 118.95 115.77 1bx2 s ARG 6 Ca 0.56 -1.18 0.00 0.00 -1.72 0.00 0.00 55.73 53.39 1bx2 s ARG 6 Cb -0.11 -2.23 0.02 0.00 -0.45 0.00 0.00 34.95 32.18 1bx2 s ARG 6 CO 0.53 0.46 -0.05 -0.06 -0.68 0.00 0.00 175.30 175.50 1bx2 s PHE 7 N -1.58 1.00 -0.12 -0.53 0.08 -1.26 -5.08 117.98 110.49 1bx2 s PHE 7 Ca 0.24 -0.37 0.02 0.00 0.12 0.00 0.00 56.93 56.94 1bx2 s PHE 7 Cb -0.09 -0.91 -0.00 0.00 -0.57 0.00 0.00 43.02 41.44 1bx2 s PHE 7 CO 0.15 -0.33 -0.19 -1.17 -0.10 0.00 0.00 175.22 173.58 1bx2 s LEU 8 N 1.45 2.34 -0.17 -0.37 2.96 -1.26 -5.00 118.68 118.63 1bx2 s LEU 8 Ca -0.02 -0.48 -0.01 0.00 -0.22 0.00 0.00 54.13 53.40 1bx2 s LEU 8 Cb -0.13 -1.50 -0.01 0.00 0.50 0.00 0.00 46.19 45.05 1bx2 s LEU 8 CO -0.03 0.14 -0.12 0.86 -1.32 0.00 0.00 176.35 175.87 1bx2 s TRP 9 N 0.50 2.85 -0.31 5.38 -0.00 -1.26 0.50 118.94 126.60 1bx2 s TRP 9 Ca -0.12 -0.92 -0.02 0.00 -0.00 0.00 0.00 56.10 55.04 1bx2 s TRP 9 Cb -0.17 -1.94 0.10 0.00 -0.00 0.00 0.00 33.47 31.47 1bx2 s TRP 9 CO 0.05 -0.43 0.12 -1.14 -0.00 0.00 0.00 176.95 175.55 1bx2 s GLN 10 N 0.88 0.49 -0.15 5.86 0.74 0.39 -5.00 119.66 122.86 1bx2 s GLN 10 Ca -0.03 -0.87 -0.23 0.00 0.05 0.00 0.00 55.36 54.28 1bx2 s GLN 10 Cb -0.15 -1.60 -0.02 0.00 1.10 0.00 0.00 33.01 32.33 1bx2 s GLN 10 CO -0.00 -1.02 0.72 -1.25 -0.55 0.00 0.00 175.29 173.19 1bx2 s PRO 11 N 1.78 4.30 -0.14 1.67 0.05 -1.26 -0.73 135.00 140.67 1bx2 s PRO 11 Ca 0.10 0.82 0.00 0.00 0.05 0.00 0.00 61.00 61.97 1bx2 s PRO 11 Cb -0.17 -3.54 0.02 0.00 0.05 0.00 0.00 34.50 30.86 1bx2 s PRO 11 CO -0.29 -0.19 -0.13 0.15 0.05 0.00 0.00 177.00 176.60 1bx2 s LYS 12 N 1.70 2.09 -0.22 4.56 1.02 0.11 -5.00 119.74 124.00 1bx2 s LYS 12 Ca 0.34 -0.48 -0.04 0.00 0.02 0.00 0.00 55.97 55.81 1bx2 s LYS 12 Cb -0.17 -1.96 -0.01 0.00 -0.52 0.00 0.00 37.83 35.18 1bx2 s LYS 12 CO 0.13 -0.23 -0.03 1.03 -0.92 0.00 0.00 175.35 175.32 1bx2 s ARG 13 N 1.51 3.41 -0.04 1.68 3.00 -1.26 0.09 118.95 127.34 1bx2 s ARG 13 Ca 0.04 -0.61 0.07 0.00 0.00 0.00 0.00 55.73 55.23 1bx2 s ARG 13 Cb -0.13 -3.03 -0.01 0.00 0.00 0.00 0.00 34.95 31.78 1bx2 s ARG 13 CO -0.09 -0.17 -0.25 -1.83 0.00 0.00 0.00 175.30 172.96 1bx2 s GLU 14 N 1.43 2.23 -0.25 3.54 -1.05 -0.63 -4.98 118.70 118.99 1bx2 s GLU 14 Ca 0.05 -0.88 -0.04 0.00 -0.15 0.00 0.00 54.97 53.95 1bx2 s GLU 14 Cb -0.14 -2.02 0.01 0.00 -0.44 0.00 0.00 34.13 31.53 1bx2 s GLU 14 CO -0.02 0.46 -0.01 0.00 0.95 0.00 0.00 175.26 176.64 1bx2 s HIS 16 N 1.44 3.12 -0.10 0.00 3.76 -0.52 -4.97 115.29 118.01 1bx2 s HIS 16 Ca 0.03 -0.45 -0.04 0.00 -0.15 0.00 0.00 55.06 54.46 1bx2 s HIS 16 Cb -0.16 -2.28 -0.04 0.00 1.11 0.00 0.00 32.58 31.22 1bx2 s HIS 16 CO -0.02 -0.38 0.04 -0.06 -0.85 0.00 0.00 174.74 173.48 1bx2 s PHE 17 N 1.62 3.29 -0.02 1.40 0.40 -1.26 -1.96 117.98 121.45 1bx2 s PHE 17 Ca 0.06 0.27 0.04 0.00 -0.60 0.00 0.00 56.93 56.70 1bx2 s PHE 17 Cb -0.16 -1.85 -0.01 0.00 0.51 0.00 0.00 43.02 41.51 1bx2 s PHE 17 CO 0.05 0.51 -0.15 -0.06 0.70 0.00 0.00 175.22 176.27 1bx2 s PHE 18 N -0.82 1.41 -1.49 0.36 0.40 0.33 -4.77 117.98 113.41 1bx2 s PHE 18 Ca 0.13 -0.33 -0.12 0.00 -0.60 0.00 0.00 56.93 56.01 1bx2 s PHE 18 Cb -0.12 -0.94 0.08 0.00 0.51 0.00 0.00 43.02 42.56 1bx2 s PHE 18 CO 0.03 -0.08 0.84 0.09 0.70 0.00 0.00 175.22 176.80 1bx2 n ASN 19 N 2.93 -4.70 0.00 1.36 3.02 -1.26 -2.23 115.26 114.38 1bx2 n ASN 19 Ca -0.16 -0.66 0.00 0.00 -0.03 0.00 0.00 54.58 53.73 1bx2 n ASN 19 Cb 0.54 -3.78 0.00 0.00 -0.61 0.00 0.00 39.78 35.93 1bx2 n ASN 19 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1bx2 n GLY 20 N -1.56 1.35 0.00 7.41 0.00 -1.26 -3.28 105.19 107.85 1bx2 n GLY 20 Ca 0.02 -0.51 0.00 0.00 0.00 0.00 0.00 46.02 45.53 1bx2 n GLY 20 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1bx2 n THR 21 N 0.00 0.30 0.10 2.61 -2.24 -1.25 -4.77 114.28 109.02 1bx2 n THR 21 Ca 0.00 -0.30 0.08 0.00 -2.27 0.00 0.00 64.05 61.55 1bx2 n THR 21 Cb 0.00 0.87 0.54 0.00 -2.10 0.00 0.00 70.33 69.64 1bx2 n THR 21 CO 0.00 0.00 0.00 -0.33 -0.57 0.00 0.00 175.07 174.17 1bx2 h GLU 22 N 0.00 0.27 -2.94 -0.78 5.08 -1.53 -3.41 114.58 111.28 1bx2 h GLU 22 Ca 0.00 -0.02 -0.19 0.00 -1.00 0.00 0.00 59.36 58.15 1bx2 h GLU 22 Cb 0.83 -0.06 -0.30 0.00 0.50 0.00 0.00 28.75 29.72 1bx2 h GLU 22 CO 0.00 0.18 -0.48 0.50 -1.00 0.00 0.00 179.01 178.20 1bx2 s ARG 23 N -5.28 0.20 0.16 2.33 3.52 -0.94 -5.03 118.95 113.90 1bx2 s ARG 23 Ca -0.07 0.63 0.05 0.00 -0.13 0.00 0.00 55.73 56.21 1bx2 s ARG 23 Cb 0.18 -0.08 -0.04 0.00 -1.56 0.00 0.00 34.95 33.44 1bx2 s ARG 23 CO 0.71 -0.20 -0.12 0.08 -0.81 0.00 0.00 175.30 174.96 1bx2 s VAL 24 N 1.66 1.33 -0.11 7.11 1.01 -1.26 -0.51 120.40 129.63 1bx2 s VAL 24 Ca -0.06 -2.05 -0.05 0.00 0.00 0.00 0.00 61.98 59.82 1bx2 s VAL 24 Cb -0.11 -1.85 0.05 0.00 0.00 0.00 0.00 36.38 34.48 1bx2 s VAL 24 CO -0.09 -0.67 0.24 -0.60 0.00 0.00 0.00 175.10 173.99 1bx2 s ARG 25 N -3.57 0.17 0.01 2.72 3.52 -0.83 -4.99 118.95 115.99 1bx2 s ARG 25 Ca 0.17 0.59 -0.01 0.00 -0.13 0.00 0.00 55.73 56.35 1bx2 s ARG 25 Cb 0.01 -0.11 -0.04 0.00 -1.56 0.00 0.00 34.95 33.25 1bx2 s ARG 25 CO 0.02 -0.21 0.15 0.12 -0.81 0.00 0.00 175.30 174.58 1bx2 s PHE 26 N 1.66 3.44 -0.16 5.12 5.36 -1.26 -1.44 117.98 130.69 1bx2 s PHE 26 Ca -0.05 0.27 -0.04 0.00 -0.96 0.00 0.00 56.93 56.14 1bx2 s PHE 26 Cb -0.11 -1.77 0.07 0.00 -0.34 0.00 0.00 43.02 40.87 1bx2 s PHE 26 CO -0.08 0.60 0.13 -1.17 -1.46 0.00 0.00 175.22 173.24 1bx2 s LEU 27 N -2.04 0.17 -0.50 6.12 2.96 -0.82 -1.48 118.68 123.09 1bx2 s LEU 27 Ca 0.28 -0.39 -0.18 0.00 -0.22 0.00 0.00 54.13 53.62 1bx2 s LEU 27 Cb -0.12 -0.03 0.07 0.00 0.50 0.00 0.00 46.19 46.61 1bx2 s LEU 27 CO 0.20 -0.33 0.54 -0.62 -1.32 0.00 0.00 176.35 174.82 1bx2 s ASP 28 N 2.20 6.19 0.02 3.68 2.15 0.44 -1.60 116.67 129.75 1bx2 s ASP 28 Ca 0.04 -1.13 0.03 0.00 0.43 0.00 0.00 52.55 51.91 1bx2 s ASP 28 Cb -0.15 -2.25 -0.04 0.00 -0.30 0.00 0.00 42.92 40.18 1bx2 s ASP 28 CO -0.09 -0.82 -0.03 -0.13 -0.17 0.00 0.00 175.17 173.93 1bx2 s ARG 29 N 2.23 2.64 -0.09 4.34 0.52 0.11 -0.21 118.95 128.50 1bx2 s ARG 29 Ca 0.10 -0.70 -0.00 0.00 -0.52 0.00 0.00 55.73 54.61 1bx2 s ARG 29 Cb -0.22 -2.58 0.02 0.00 0.52 0.00 0.00 34.95 32.70 1bx2 s ARG 29 CO 0.09 0.60 -0.05 0.71 0.02 0.00 0.00 175.30 176.67 1bx2 s TYR 30 N -1.09 1.14 -0.19 -0.53 2.02 -0.80 0.07 117.35 117.98 1bx2 s TYR 30 Ca 0.19 -0.49 -0.01 0.00 -0.37 0.00 0.00 57.07 56.40 1bx2 s TYR 30 Cb -0.11 -1.03 0.00 0.00 -0.40 0.00 0.00 41.96 40.42 1bx2 s TYR 30 CO 0.10 -0.41 -0.13 -0.06 -1.57 0.00 0.00 175.55 173.49 1bx2 s PHE 31 N 1.65 2.84 -0.32 2.71 0.08 0.09 -0.11 117.98 124.92 1bx2 s PHE 31 Ca 0.02 -1.22 -0.11 0.00 0.12 0.00 0.00 56.93 55.74 1bx2 s PHE 31 Cb -0.13 -1.97 -0.01 0.00 -0.57 0.00 0.00 43.02 40.33 1bx2 s PHE 31 CO -0.06 -0.62 0.19 -0.47 -0.10 0.00 0.00 175.22 174.17 1bx2 s TYR 32 N 1.21 3.20 0.00 0.36 5.04 -0.35 -0.46 117.35 126.35 1bx2 s TYR 32 Ca 0.02 -0.38 0.00 0.00 -2.44 0.00 0.00 57.07 54.27 1bx2 s TYR 32 Cb -0.14 -2.41 0.00 0.00 0.35 0.00 0.00 41.96 39.76 1bx2 s TYR 32 CO -0.06 -0.40 0.00 0.09 -1.34 0.00 0.00 175.55 173.84 1bx2 n ASN 33 N 5.04 0.00 -0.30 4.32 3.02 0.18 -0.98 115.26 126.55 1bx2 n ASN 33 Ca -0.13 0.00 0.01 0.00 -0.03 0.00 0.00 54.58 54.43 1bx2 n ASN 33 Cb 0.49 0.00 0.01 0.00 -0.61 0.00 0.00 39.78 39.68 1bx2 n ASN 33 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1bx2 n GLN 34 N 0.00 0.27 -4.07 3.52 6.02 -1.26 -4.90 117.38 116.96 1bx2 n GLN 34 Ca 0.00 -1.05 -0.33 0.00 -0.01 0.00 0.00 57.00 55.61 1bx2 n GLN 34 Cb 0.00 -0.62 -0.15 0.00 1.02 0.00 0.00 30.24 30.48 1bx2 n GLN 34 CO 0.00 0.00 0.00 -1.21 -1.01 0.00 0.00 177.06 174.84 1bx2 s GLU 35 N -0.34 2.95 0.12 -1.09 2.02 -0.15 -5.08 118.70 117.12 1bx2 s GLU 35 Ca 0.03 -0.87 -0.31 0.00 0.02 0.00 0.00 54.97 53.84 1bx2 s GLU 35 Cb 0.03 -2.71 -0.09 0.00 0.10 0.00 0.00 34.13 31.45 1bx2 s GLU 35 CO 0.00 -0.27 1.57 -2.00 0.02 0.00 0.00 175.26 174.58 1bx2 s GLU 36 N 1.30 4.22 -0.22 1.61 2.12 -1.26 -1.21 118.70 125.26 1bx2 s GLU 36 Ca 0.03 2.30 0.03 0.00 0.36 0.00 0.00 54.97 57.68 1bx2 s GLU 36 Cb -0.14 -3.35 -0.20 0.00 0.26 0.00 0.00 34.13 30.70 1bx2 s GLU 36 CO -0.10 -0.63 -0.07 -1.13 -0.54 0.00 0.00 175.26 172.79 1bx2 n SER 37 N 4.63 1.75 -3.59 -1.70 3.41 0.85 -3.90 113.62 115.06 1bx2 n SER 37 Ca 0.14 -0.05 -0.14 0.00 -0.26 0.00 0.00 58.87 58.56 1bx2 n SER 37 Cb 0.40 -0.31 -0.06 0.00 -0.26 0.00 0.00 64.21 63.98 1bx2 n SER 37 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 175.04 175.42 1bx2 s VAL 38 N -2.53 0.03 0.14 -3.33 0.11 -1.24 -1.37 120.40 112.21 1bx2 s VAL 38 Ca -0.29 -0.25 -0.20 0.00 -2.93 0.00 0.00 61.98 58.30 1bx2 s VAL 38 Cb 0.08 -0.94 0.05 0.00 -1.53 0.00 0.00 36.38 34.05 1bx2 s VAL 38 CO 0.66 -0.14 0.51 0.00 -3.33 0.00 0.00 175.10 172.80 1bx2 s ARG 39 N -2.14 1.17 -0.11 1.54 1.70 -0.55 -1.91 118.95 118.64 1bx2 s ARG 39 Ca -0.07 -0.55 0.03 0.00 -0.47 0.00 0.00 55.73 54.67 1bx2 s ARG 39 Cb -0.01 0.53 0.01 0.00 -0.57 0.00 0.00 34.95 34.91 1bx2 s ARG 39 CO 0.01 -0.48 -0.21 0.12 -1.08 0.00 0.00 175.30 173.65 1bx2 s PHE 40 N -3.66 2.44 -0.24 5.89 2.19 0.70 -1.47 117.98 123.85 1bx2 s PHE 40 Ca 0.01 -1.10 -0.00 0.00 0.33 0.00 0.00 56.93 56.17 1bx2 s PHE 40 Cb 0.00 -1.66 0.03 0.00 -1.31 0.00 0.00 43.02 40.08 1bx2 s PHE 40 CO -0.12 -0.48 -0.10 0.34 1.83 0.00 0.00 175.22 176.69 1bx2 s ASP 41 N 0.60 4.09 0.50 6.13 -1.08 -1.26 -0.42 116.67 125.23 1bx2 s ASP 41 Ca -0.13 -0.92 0.29 0.00 -0.52 0.00 0.00 52.55 51.27 1bx2 s ASP 41 Cb -0.17 -1.60 1.40 0.00 -1.46 0.00 0.00 42.92 41.09 1bx2 s ASP 41 CO 0.04 -0.11 1.84 0.77 0.52 0.00 0.00 175.17 178.23 1bx2 h SER 42 N 7.95 0.12 0.00 -0.34 4.64 -1.62 0.60 113.55 124.89 1bx2 h SER 42 Ca -0.33 0.02 0.00 0.00 -0.47 0.00 0.00 61.79 61.01 1bx2 h SER 42 Cb 1.10 -0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.19 1bx2 h SER 42 CO 0.57 0.03 0.00 0.47 -0.87 0.00 0.00 176.83 177.03 1bx2 n ASP 43 N -4.33 0.00 0.00 4.97 8.00 -1.26 -3.27 116.55 120.66 1bx2 n ASP 43 Ca 0.22 -0.74 0.00 0.00 0.71 0.00 0.00 54.79 54.98 1bx2 n ASP 43 Cb 1.00 0.00 0.00 0.00 -0.02 0.00 0.00 41.12 42.10 1bx2 n ASP 43 CO 0.00 0.00 0.00 0.52 -0.39 0.00 0.00 177.20 177.33 1bx2 n VAL 44 N -0.97 0.00 0.00 2.53 0.31 0.20 -5.05 118.33 115.35 1bx2 n VAL 44 Ca 0.16 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.49 1bx2 n VAL 44 Cb 0.07 -0.27 0.00 0.00 -0.91 0.00 0.00 33.84 32.73 1bx2 n VAL 44 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 1bx2 n GLY 45 N 2.21 2.52 3.25 2.92 0.00 -0.58 -5.00 105.19 110.52 1bx2 n GLY 45 Ca 0.00 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 45.92 1bx2 n GLY 45 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 1bx2 s GLU 46 N -0.20 0.90 0.58 1.61 -1.05 -1.26 -4.94 118.70 114.34 1bx2 s GLU 46 Ca 0.00 -0.72 -0.19 0.00 -0.15 0.00 0.00 54.97 53.91 1bx2 s GLU 46 Cb 0.00 0.38 -0.04 0.00 -0.44 0.00 0.00 34.13 34.03 1bx2 s GLU 46 CO 0.00 -0.31 1.20 -0.06 0.95 0.00 0.00 175.26 177.04 1bx2 s PHE 47 N -3.38 2.45 0.01 4.83 0.40 -1.26 -4.32 117.98 116.70 1bx2 s PHE 47 Ca 0.01 1.52 -0.03 0.00 -0.60 0.00 0.00 56.93 57.83 1bx2 s PHE 47 Cb 0.02 -3.46 -0.01 0.00 0.51 0.00 0.00 43.02 40.08 1bx2 s PHE 47 CO -0.09 -2.12 0.03 1.03 0.70 0.00 0.00 175.22 174.78 1bx2 s ARG 48 N -3.29 0.33 -0.19 0.44 1.81 -0.54 -4.92 118.95 112.59 1bx2 s ARG 48 Ca 0.76 -0.44 -0.16 0.00 -1.72 0.00 0.00 55.73 54.17 1bx2 s ARG 48 Cb -0.30 0.13 -0.04 0.00 -0.45 0.00 0.00 34.95 34.29 1bx2 s ARG 48 CO 0.32 -0.06 0.40 0.00 -0.68 0.00 0.00 175.30 175.29 1bx2 s ALA 49 N -1.22 3.55 -0.04 2.13 0.00 -1.26 -1.48 121.76 123.44 1bx2 s ALA 49 Ca -0.13 -0.48 -0.17 0.00 0.00 0.00 0.00 51.96 51.18 1bx2 s ALA 49 Cb -0.08 -2.63 -0.31 0.00 0.00 0.00 0.00 23.12 20.10 1bx2 s ALA 49 CO -0.00 -0.25 0.79 -0.39 0.00 0.00 0.00 175.76 175.91 1bx2 h VAL 50 N 4.98 1.22 -2.41 0.00 -1.51 -1.48 -3.47 116.25 113.58 1bx2 h VAL 50 Ca -0.37 -2.54 -0.61 0.00 -1.23 0.00 0.00 66.70 61.95 1bx2 h VAL 50 Cb 1.16 2.95 -0.14 0.00 -2.13 0.00 0.00 31.29 33.14 1bx2 h VAL 50 CO 0.73 0.77 -0.74 0.42 -1.23 0.00 0.00 177.57 177.51 1bx2 s THR 51 N -2.52 2.71 0.64 7.19 -4.23 -1.07 -5.01 115.64 113.35 1bx2 s THR 51 Ca -0.14 -2.20 0.32 0.00 -1.18 0.00 0.00 61.69 58.48 1bx2 s THR 51 Cb 0.03 -2.40 0.35 0.00 1.34 0.00 0.00 72.50 71.82 1bx2 s THR 51 CO 0.85 -0.33 2.02 1.05 -0.54 0.00 0.00 174.62 177.67 1bx2 h GLU 52 N 2.37 0.00 -0.01 3.99 9.09 -1.90 -1.31 114.58 126.82 1bx2 h GLU 52 Ca -0.42 0.00 -0.04 0.00 0.05 0.00 0.00 59.36 58.94 1bx2 h GLU 52 Cb 1.25 0.00 -0.01 0.00 -1.65 0.00 0.00 28.75 28.34 1bx2 h GLU 52 CO 0.58 0.00 -0.21 1.25 0.05 0.00 0.00 179.01 180.68 1bx2 h LEU 53 N 0.00 0.01 0.00 3.06 6.46 -1.95 -2.87 115.31 120.02 1bx2 h LEU 53 Ca 0.05 -0.00 0.00 0.00 -0.12 0.00 0.00 57.88 57.81 1bx2 h LEU 53 Cb 0.62 -0.00 0.00 0.00 -0.73 0.00 0.00 40.66 40.55 1bx2 h LEU 53 CO -0.00 0.22 -0.57 0.61 -0.62 0.00 0.00 178.44 178.08 1bx2 n GLY 54 N -0.93 -1.31 0.36 3.75 0.00 -0.49 -4.40 105.19 102.15 1bx2 n GLY 54 Ca -0.02 -0.31 0.02 0.00 0.00 0.00 0.00 46.02 45.70 1bx2 n GLY 54 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 173.32 173.23 1bx2 h ARG 55 N 0.00 -0.02 -0.48 1.61 2.43 -1.58 -1.52 114.38 114.82 1bx2 h ARG 55 Ca 0.00 0.00 0.08 0.00 -0.81 0.00 0.00 59.98 59.25 1bx2 h ARG 55 Cb 0.60 0.00 -0.07 0.00 -0.42 0.00 0.00 29.97 30.08 1bx2 h ARG 55 CO 0.00 -0.01 0.08 -1.35 -1.51 0.00 0.00 179.97 177.17 1bx2 h PRO 56 N -0.02 0.20 0.01 0.20 0.11 -1.81 -2.44 132.00 128.25 1bx2 h PRO 56 Ca 0.39 -0.01 -0.00 0.00 0.11 0.00 0.00 66.00 66.49 1bx2 h PRO 56 Cb 0.64 -0.04 0.00 0.00 0.11 0.00 0.00 31.00 31.70 1bx2 h PRO 56 CO -0.94 0.13 -0.00 -0.44 -0.21 0.00 0.00 178.00 176.54 1bx2 h ASP 57 N 0.20 -0.01 -1.01 -2.05 3.32 -1.65 -2.41 116.42 112.83 1bx2 h ASP 57 Ca 0.24 -0.65 0.23 0.00 0.02 0.00 0.00 57.03 56.88 1bx2 h ASP 57 Cb 0.33 0.00 -0.10 0.00 0.22 0.00 0.00 39.33 39.78 1bx2 h ASP 57 CO -0.33 0.65 0.63 0.00 -1.72 0.00 0.00 179.24 178.47 1bx2 h ALA 58 N 0.32 1.98 -0.01 3.45 0.00 -1.30 0.36 119.26 124.06 1bx2 h ALA 58 Ca -0.00 0.08 -0.25 0.00 0.00 0.00 0.00 54.91 54.74 1bx2 h ALA 58 Cb 0.65 -0.01 0.01 0.00 0.00 0.00 0.00 17.79 18.44 1bx2 h ALA 58 CO 0.00 -0.38 -0.98 1.05 0.00 0.00 0.00 179.25 178.94 1bx2 h GLU 59 N 0.54 0.59 0.51 0.00 4.11 -1.47 -3.17 114.58 115.68 1bx2 h GLU 59 Ca 0.59 -0.62 -0.02 0.00 0.07 0.00 0.00 59.36 59.37 1bx2 h GLU 59 Cb 1.24 0.17 0.00 0.00 0.50 0.00 0.00 28.75 30.67 1bx2 h GLU 59 CO -0.35 1.23 -0.24 -0.92 0.07 0.00 0.00 179.01 178.80 1bx2 h TYR 60 N 0.34 -0.63 -0.90 2.06 3.20 -0.49 -3.16 116.97 117.39 1bx2 h TYR 60 Ca -0.10 -0.01 0.24 0.00 3.14 0.00 0.00 58.73 61.99 1bx2 h TYR 60 Cb 1.63 0.21 -0.05 0.00 1.54 0.00 0.00 36.73 40.05 1bx2 h TYR 60 CO 0.08 -0.39 0.62 -1.49 -1.64 0.00 0.00 178.16 175.34 1bx2 h TRP 61 N -1.17 0.23 0.00 -3.82 6.55 -0.53 0.34 115.95 117.55 1bx2 h TRP 61 Ca -0.07 0.01 -0.06 0.00 0.95 0.00 0.00 58.89 59.72 1bx2 h TRP 61 Cb 0.52 -0.07 -0.01 0.00 -0.86 0.00 0.00 29.16 28.74 1bx2 h TRP 61 CO 0.00 0.05 -0.29 -0.91 -1.05 0.00 0.00 178.44 176.24 1bx2 h ASN 62 N 0.16 0.00 0.16 -3.49 2.35 -1.59 -3.08 115.58 110.09 1bx2 h ASN 62 Ca 0.45 0.00 -0.15 0.00 -0.55 0.00 0.00 56.30 56.05 1bx2 h ASN 62 Cb 1.49 0.00 -0.01 0.00 0.05 0.00 0.00 38.32 39.85 1bx2 h ASN 62 CO -0.08 0.29 -0.55 0.77 -1.65 0.00 0.00 177.43 176.20 1bx2 h SER 63 N 0.00 0.47 -2.38 5.81 4.64 -0.28 -3.40 113.55 118.41 1bx2 h SER 63 Ca -0.00 -0.25 -0.65 0.00 -0.47 0.00 0.00 61.79 60.42 1bx2 h SER 63 Cb 0.75 -0.13 -0.15 0.00 -0.31 0.00 0.00 62.40 62.56 1bx2 h SER 63 CO 0.04 0.93 0.78 -1.10 -0.87 0.00 0.00 176.83 176.61 1bx2 s GLN 64 N -3.93 3.35 0.00 4.77 -1.52 -1.16 -4.89 119.66 116.28 1bx2 s GLN 64 Ca -0.06 -1.19 0.00 0.00 -1.95 0.00 0.00 55.36 52.16 1bx2 s GLN 64 Cb 0.12 -4.61 0.00 0.00 -0.22 0.00 0.00 33.01 28.30 1bx2 s GLN 64 CO 0.82 -1.86 0.33 0.36 -0.25 0.00 0.00 175.29 174.69 1bx2 n LYS 65 N 7.47 0.00 -0.03 2.91 2.85 -1.26 -1.31 118.16 128.79 1bx2 n LYS 65 Ca 0.11 0.00 -0.08 0.00 -1.05 0.00 0.00 58.31 57.29 1bx2 n LYS 65 Cb 0.48 -1.36 -0.14 0.00 -0.65 0.00 0.00 35.03 33.36 1bx2 n LYS 65 CO 0.00 0.00 0.00 -0.40 -0.05 0.00 0.00 177.40 176.95 1bx2 n ASP 66 N -0.82 0.77 0.10 -5.58 5.68 -1.26 -3.65 116.55 111.78 1bx2 n ASP 66 Ca 0.00 0.36 -0.18 0.00 -0.50 0.00 0.00 54.79 54.47 1bx2 n ASP 66 Cb 0.00 0.09 -0.14 0.00 -1.14 0.00 0.00 41.12 39.92 1bx2 n ASP 66 CO 0.00 0.00 0.00 0.40 -1.33 0.00 0.00 177.20 176.27 1bx2 h ILE 67 N 0.00 1.30 -0.99 2.12 2.04 -1.48 -3.08 117.51 117.42 1bx2 h ILE 67 Ca -0.30 -2.86 0.06 0.00 1.00 0.00 0.00 64.86 62.75 1bx2 h ILE 67 Cb 2.00 2.89 -0.06 0.00 -0.74 0.00 0.00 36.82 40.90 1bx2 h ILE 67 CO 0.07 0.85 0.64 -0.07 0.00 0.00 0.00 178.15 179.64 1bx2 h LEU 68 N 0.09 1.03 0.23 1.44 4.07 -1.72 -0.35 115.31 120.10 1bx2 h LEU 68 Ca -0.21 0.01 -0.01 0.00 0.08 0.00 0.00 57.88 57.74 1bx2 h LEU 68 Cb 2.04 -0.22 0.00 0.00 1.08 0.00 0.00 40.66 43.56 1bx2 h LEU 68 CO 0.20 0.67 -0.11 -0.33 -1.08 0.00 0.00 178.44 177.79 1bx2 h GLU 69 N 1.18 -0.30 -0.57 1.13 3.07 -1.63 0.25 114.58 117.71 1bx2 h GLU 69 Ca 0.42 0.02 0.10 0.00 -0.50 0.00 0.00 59.36 59.40 1bx2 h GLU 69 Cb 0.13 0.07 -0.08 0.00 -0.84 0.00 0.00 28.75 28.03 1bx2 h GLU 69 CO -0.16 -0.11 0.13 0.37 -1.40 0.00 0.00 179.01 177.83 1bx2 h GLN 70 N -0.43 0.25 -0.40 2.33 4.15 -1.32 -0.78 115.11 118.93 1bx2 h GLN 70 Ca -0.03 -0.02 -0.15 0.00 0.77 0.00 0.00 58.65 59.22 1bx2 h GLN 70 Cb 0.33 -0.06 -0.01 0.00 0.21 0.00 0.00 27.48 27.95 1bx2 h GLN 70 CO 0.05 0.17 -0.35 0.00 -1.93 0.00 0.00 178.83 176.77 1bx2 h ALA 71 N 1.45 0.58 0.00 3.38 0.00 -0.86 -2.23 119.26 121.57 1bx2 h ALA 71 Ca 0.29 -0.44 -0.13 0.00 0.00 0.00 0.00 54.91 54.64 1bx2 h ALA 71 Cb 0.42 -0.13 -0.02 0.00 0.00 0.00 0.00 17.79 18.06 1bx2 h ALA 71 CO -0.37 0.66 -0.60 0.00 0.00 0.00 0.00 179.25 178.94 1bx2 h ARG 72 N 0.76 0.00 0.00 0.00 3.08 -0.03 -3.06 114.38 115.13 1bx2 h ARG 72 Ca 0.07 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.12 1bx2 h ARG 72 Cb 0.94 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.99 1bx2 h ARG 72 CO 0.09 0.60 -0.52 0.00 -1.07 0.00 0.00 179.97 179.07 1bx2 h ALA 73 N 1.40 0.71 -1.16 0.04 0.00 -1.16 -3.37 119.26 115.72 1bx2 h ALA 73 Ca -0.01 0.00 0.33 0.00 0.00 0.00 0.00 54.91 55.23 1bx2 h ALA 73 Cb 1.08 0.00 -0.06 0.00 0.00 0.00 0.00 17.79 18.81 1bx2 h ALA 73 CO 0.08 0.00 0.81 0.00 0.00 0.00 0.00 179.25 180.14 1bx2 h ALA 74 N 2.25 2.87 -0.26 0.00 0.00 -1.29 0.17 119.26 123.00 1bx2 h ALA 74 Ca 0.00 -0.01 0.08 0.00 0.00 0.00 0.00 54.91 54.98 1bx2 h ALA 74 Cb 0.88 0.08 -0.01 0.00 0.00 0.00 0.00 17.79 18.73 1bx2 h ALA 74 CO 0.00 -1.25 0.23 0.28 0.00 0.00 0.00 179.25 178.51 1bx2 h VAL 75 N 0.11 0.62 0.00 0.00 2.07 -1.78 0.29 116.25 117.56 1bx2 h VAL 75 Ca 0.59 0.00 0.00 0.00 0.82 0.00 0.00 66.70 68.11 1bx2 h VAL 75 Cb 2.09 0.83 0.00 0.00 -1.52 0.00 0.00 31.29 32.69 1bx2 h VAL 75 CO -0.10 0.00 -0.71 0.47 0.02 0.00 0.00 177.57 177.24 1bx2 n ASP 76 N -4.07 1.59 0.16 0.57 8.00 0.51 -2.44 116.55 120.86 1bx2 n ASP 76 Ca 0.03 0.26 0.11 0.00 0.71 0.00 0.00 54.79 55.91 1bx2 n ASP 76 Cb 0.38 -0.63 0.59 0.00 -0.02 0.00 0.00 41.12 41.44 1bx2 n ASP 76 CO 0.00 0.00 0.00 0.35 -0.39 0.00 0.00 177.20 177.16 1bx2 n THR 77 N -4.08 1.02 0.01 -3.53 -2.24 -0.75 -2.75 114.28 101.95 1bx2 n THR 77 Ca -0.10 0.71 0.00 0.00 -2.27 0.00 0.00 64.05 62.39 1bx2 n THR 77 Cb 0.37 -1.71 0.00 0.00 -2.10 0.00 0.00 70.33 66.89 1bx2 n THR 77 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1bx2 n TYR 78 N -2.27 -0.06 0.07 4.78 9.36 -0.14 -4.72 117.16 124.18 1bx2 n TYR 78 Ca -0.01 0.01 -0.04 0.00 3.32 0.00 0.00 57.90 61.18 1bx2 n TYR 78 Cb 0.04 0.12 -0.02 0.00 -0.63 0.00 0.00 39.34 38.85 1bx2 n TYR 78 CO 0.00 0.00 0.00 0.00 0.22 0.00 0.00 176.86 177.08 1bx2 h ARG 80 N -0.23 0.64 0.76 0.00 3.08 -1.55 -1.58 114.38 115.51 1bx2 h ARG 80 Ca -0.01 -0.04 -0.03 0.00 0.07 0.00 0.00 59.98 59.96 1bx2 h ARG 80 Cb 0.20 -0.14 0.00 0.00 0.08 0.00 0.00 29.97 30.10 1bx2 h ARG 80 CO -0.01 0.42 -0.43 1.25 -1.07 0.00 0.00 179.97 180.13 1bx2 h HIS 81 N 0.66 -1.15 -0.94 3.04 2.76 -1.42 -2.68 115.15 115.42 1bx2 h HIS 81 Ca 0.34 -0.02 0.13 0.00 -2.20 0.00 0.00 60.37 58.62 1bx2 h HIS 81 Cb 0.44 0.40 -0.09 0.00 1.55 0.00 0.00 27.41 29.72 1bx2 h HIS 81 CO -0.00 -0.66 0.57 -0.91 -1.30 0.00 0.00 177.93 175.62 1bx2 h ASN 82 N -1.10 0.79 -0.44 3.26 2.35 -1.04 -0.07 115.58 119.33 1bx2 h ASN 82 Ca -0.10 0.06 0.03 0.00 -0.55 0.00 0.00 56.30 55.74 1bx2 h ASN 82 Cb 0.87 -0.09 -0.02 0.00 0.05 0.00 0.00 38.32 39.13 1bx2 h ASN 82 CO 0.12 0.39 0.29 0.22 -1.65 0.00 0.00 177.43 176.81 1bx2 h TYR 83 N 0.86 0.48 -0.05 1.19 5.03 -1.20 0.05 116.97 123.33 1bx2 h TYR 83 Ca 0.49 0.01 -0.18 0.00 2.58 0.00 0.00 58.73 61.63 1bx2 h TYR 83 Cb 0.56 -0.16 -0.01 0.00 1.55 0.00 0.00 36.73 38.67 1bx2 h TYR 83 CO -0.03 0.29 -0.76 0.78 -1.32 0.00 0.00 178.16 177.12 1bx2 h GLY 84 N 0.50 0.35 2.00 1.82 0.00 -0.68 -0.52 103.07 106.54 1bx2 h GLY 84 Ca 0.18 -0.52 -0.06 0.00 0.00 0.00 0.00 47.33 46.92 1bx2 h GLY 84 CO -0.04 0.46 -0.31 -2.08 0.00 0.00 0.00 176.54 174.57 1bx2 h VAL 85 N 0.21 0.91 0.00 4.60 2.07 -0.39 -3.35 116.25 120.30 1bx2 h VAL 85 Ca -0.03 -1.20 -0.07 0.00 0.82 0.00 0.00 66.70 66.22 1bx2 h VAL 85 Cb 1.33 1.71 -0.01 0.00 -1.52 0.00 0.00 31.29 32.80 1bx2 h VAL 85 CO 0.12 0.30 -1.39 1.33 0.02 0.00 0.00 177.57 177.96 1bx2 n VAL 86 N -3.72 0.26 -0.52 2.57 0.24 -0.57 -4.71 118.33 111.87 1bx2 n VAL 86 Ca -0.01 -0.23 0.43 0.00 -2.04 0.00 0.00 64.34 62.49 1bx2 n VAL 86 Cb 0.41 -0.34 0.71 0.00 -1.47 0.00 0.00 33.84 33.15 1bx2 n VAL 86 CO 0.00 0.00 0.00 -0.08 -2.14 0.00 0.00 176.83 174.61 1bx2 h GLU 87 N 0.00 0.02 -0.85 7.34 4.81 -1.22 -0.06 114.58 124.62 1bx2 h GLU 87 Ca -0.10 -0.00 -0.01 0.00 -0.13 0.00 0.00 59.36 59.12 1bx2 h GLU 87 Cb 0.95 -0.00 -0.04 0.00 0.63 0.00 0.00 28.75 30.28 1bx2 h GLU 87 CO 0.01 0.01 0.50 0.66 -0.73 0.00 0.00 179.01 179.46 1bx2 h SER 88 N 0.02 1.03 -0.47 1.04 4.64 -1.84 -1.16 113.55 116.81 1bx2 h SER 88 Ca 0.88 -0.08 0.00 0.00 -0.47 0.00 0.00 61.79 62.12 1bx2 h SER 88 Cb 3.00 -0.26 0.00 0.00 -0.31 0.00 0.00 62.40 64.83 1bx2 h SER 88 CO -0.34 0.81 0.00 2.22 -0.87 0.00 0.00 176.83 178.65 1bx2 n PHE 89 N -4.41 0.63 0.00 4.77 -1.74 -0.07 -4.18 117.46 112.46 1bx2 n PHE 89 Ca 0.09 -0.40 0.00 0.00 -0.56 0.00 0.00 57.45 56.58 1bx2 n PHE 89 Cb 0.07 -0.01 0.00 0.00 1.52 0.00 0.00 39.48 41.06 1bx2 n PHE 89 CO 0.00 0.00 0.00 0.25 -0.56 0.00 0.00 176.76 176.45 1bx2 n THR 90 N 1.17 0.03 -0.10 1.97 -2.24 -0.99 -4.47 114.28 109.66 1bx2 n THR 90 Ca 0.18 0.01 0.01 0.00 -2.27 0.00 0.00 64.05 61.98 1bx2 n THR 90 Cb 0.53 -0.75 0.32 0.00 -2.10 0.00 0.00 70.33 68.33 1bx2 n THR 90 CO 0.00 0.00 0.00 0.58 -0.57 0.00 0.00 175.07 175.08 1bx2 h VAL 91 N 0.00 1.16 -0.01 2.28 2.07 -1.68 -1.98 116.25 118.09 1bx2 h VAL 91 Ca 0.00 -0.38 0.00 0.00 0.82 0.00 0.00 66.70 67.14 1bx2 h VAL 91 Cb 0.00 0.40 0.00 0.00 -1.52 0.00 0.00 31.29 30.17 1bx2 h VAL 91 CO 0.00 0.17 -0.13 0.00 0.02 0.00 0.00 177.57 177.63 1bx2 n GLN 92 N -4.41 1.34 -1.85 1.57 1.13 -0.47 -4.96 117.38 109.72 1bx2 n GLN 92 Ca 0.05 -0.83 -0.41 0.00 -1.94 0.00 0.00 57.00 53.86 1bx2 n GLN 92 Cb 0.08 -1.48 -0.02 0.00 0.11 0.00 0.00 30.24 28.93 1bx2 n GLN 92 CO 0.00 0.00 0.00 0.50 -1.44 0.00 0.00 177.06 176.12 1bx2 s ARG 93 N -2.23 4.17 -0.12 -1.09 3.52 -0.75 -4.97 118.95 117.48 1bx2 s ARG 93 Ca 0.31 2.49 -0.04 0.00 -0.13 0.00 0.00 55.73 58.36 1bx2 s ARG 93 Cb 0.20 -3.05 0.06 0.00 -1.56 0.00 0.00 34.95 30.60 1bx2 s ARG 93 CO 0.42 -0.56 0.23 1.03 -0.81 0.00 0.00 175.30 175.61 1bx2 s ARG 94 N -0.56 0.11 -0.09 5.12 0.52 -1.26 -4.14 118.95 118.65 1bx2 s ARG 94 Ca 0.61 0.68 0.01 0.00 -0.52 0.00 0.00 55.73 56.52 1bx2 s ARG 94 Cb -0.46 -0.13 0.02 0.00 0.52 0.00 0.00 34.95 34.89 1bx2 s ARG 94 CO 0.47 -0.30 -0.12 0.08 0.02 0.00 0.00 175.30 175.46 1bx2 s VAL 95 N 2.38 1.21 0.36 3.52 1.01 0.12 -4.97 120.40 124.02 1bx2 s VAL 95 Ca 0.02 -0.47 -0.28 0.00 0.00 0.00 0.00 61.98 61.25 1bx2 s VAL 95 Cb -0.12 -1.14 -0.10 0.00 0.00 0.00 0.00 36.38 35.03 1bx2 s VAL 95 CO -0.08 0.38 1.29 -1.10 0.00 0.00 0.00 175.10 175.59 1bx2 s GLN 96 N 1.07 4.23 0.66 2.72 -0.21 -1.26 -2.17 119.66 124.70 1bx2 s GLN 96 Ca -0.06 2.16 -0.13 0.00 0.02 0.00 0.00 55.36 57.34 1bx2 s GLN 96 Cb -0.15 -2.96 -0.01 0.00 1.00 0.00 0.00 33.01 30.90 1bx2 s GLN 96 CO -0.02 -0.27 1.07 -2.14 -2.12 0.00 0.00 175.29 171.81 1bx2 s PRO 97 N -1.95 3.01 -0.27 2.91 0.02 -1.26 -4.31 135.00 133.16 1bx2 s PRO 97 Ca 0.52 1.11 0.03 0.00 0.02 0.00 0.00 61.00 62.68 1bx2 s PRO 97 Cb -0.38 -1.99 0.06 0.00 0.02 0.00 0.00 34.50 32.21 1bx2 s PRO 97 CO 0.50 -1.05 -0.09 0.21 -0.33 0.00 0.00 177.00 176.25 1bx2 s LYS 98 N -4.55 2.08 -0.10 5.54 2.36 0.96 -4.91 119.74 121.12 1bx2 s LYS 98 Ca 0.61 -1.36 -0.10 0.00 -2.55 0.00 0.00 55.97 52.57 1bx2 s LYS 98 Cb -0.16 -2.88 -0.05 0.00 -1.05 0.00 0.00 37.83 33.70 1bx2 s LYS 98 CO 0.47 -0.61 0.21 0.08 1.55 0.00 0.00 175.35 177.05 1bx2 s VAL 99 N 1.12 5.37 -0.05 4.02 1.01 -1.26 -1.59 120.40 129.02 1bx2 s VAL 99 Ca -0.06 0.38 -0.03 0.00 0.00 0.00 0.00 61.98 62.27 1bx2 s VAL 99 Cb -0.20 -3.50 0.03 0.00 0.00 0.00 0.00 36.38 32.71 1bx2 s VAL 99 CO -0.06 0.58 0.12 -0.89 0.00 0.00 0.00 175.10 174.85 1bx2 s THR 100 N -0.80 -0.04 -0.10 3.92 2.01 -0.63 -5.00 115.64 115.00 1bx2 s THR 100 Ca 0.17 0.13 0.04 0.00 0.31 0.00 0.00 61.69 62.34 1bx2 s THR 100 Cb -0.13 -0.20 -0.00 0.00 0.01 0.00 0.00 72.50 72.18 1bx2 s THR 100 CO 0.06 0.05 -0.22 -0.69 -0.69 0.00 0.00 174.62 173.13 1bx2 s VAL 101 N 0.84 2.22 0.02 3.82 1.01 -1.26 -0.45 120.40 126.60 1bx2 s VAL 101 Ca -0.06 -0.97 -0.27 0.00 0.00 0.00 0.00 61.98 60.68 1bx2 s VAL 101 Cb -0.09 -1.85 0.06 0.00 0.00 0.00 0.00 36.38 34.50 1bx2 s VAL 101 CO -0.04 0.56 0.61 -0.72 0.00 0.00 0.00 175.10 175.51 1bx2 s TYR 102 N 0.23 -0.56 -0.10 5.22 1.13 -0.30 -4.99 117.35 117.97 1bx2 s TYR 102 Ca -0.14 0.79 -0.19 0.00 -1.41 0.00 0.00 57.07 56.11 1bx2 s TYR 102 Cb -0.17 0.41 -0.04 0.00 -1.10 0.00 0.00 41.96 41.06 1bx2 s TYR 102 CO 0.07 -0.66 0.51 -1.25 -2.51 0.00 0.00 175.55 171.72 1bx2 s PRO 103 N -2.00 4.33 0.32 -3.49 0.04 -1.26 -0.28 135.00 132.66 1bx2 s PRO 103 Ca -0.07 0.52 -0.25 0.00 0.04 0.00 0.00 61.00 61.24 1bx2 s PRO 103 Cb -0.01 -3.42 -0.10 0.00 0.04 0.00 0.00 34.50 31.02 1bx2 s PRO 103 CO 0.02 0.19 0.92 -1.54 0.04 0.00 0.00 177.00 176.63 1bx2 s SER 104 N 0.48 7.27 -0.02 6.66 1.04 -0.46 -4.59 113.70 124.09 1bx2 s SER 104 Ca 0.28 1.77 -0.02 0.00 0.48 0.00 0.00 55.95 58.46 1bx2 s SER 104 Cb -0.16 -2.56 0.01 0.00 0.10 0.00 0.00 66.02 63.41 1bx2 s SER 104 CO 0.12 -0.08 0.03 0.29 0.98 0.00 0.00 173.24 174.58 1bx2 n LYS 105 N 0.49 -1.55 -3.34 4.02 5.02 -1.26 -4.22 118.16 117.32 1bx2 n LYS 105 Ca 0.02 1.48 -0.46 0.00 -2.02 0.00 0.00 58.31 57.33 1bx2 n LYS 105 Cb 0.50 -1.99 -0.03 0.00 -0.02 0.00 0.00 35.03 33.49 1bx2 n LYS 105 CO 0.00 0.00 0.00 0.95 -0.52 0.00 0.00 177.40 177.83 1bx2 s THR 106 N -0.19 5.42 0.03 -0.18 -4.23 -1.26 -4.92 115.64 110.31 1bx2 s THR 106 Ca -0.04 -2.21 0.00 0.00 -1.18 0.00 0.00 61.69 58.26 1bx2 s THR 106 Cb 0.00 -4.39 -0.00 0.00 1.34 0.00 0.00 72.50 69.45 1bx2 s THR 106 CO 0.09 -0.98 0.00 0.00 -0.54 0.00 0.00 174.62 173.20 1bx2 n GLN 107 N 4.32 1.74 -2.66 3.99 10.64 -1.25 -4.91 117.38 129.26 1bx2 n GLN 107 Ca 0.06 -0.20 -0.36 0.00 -1.83 0.00 0.00 57.00 54.67 1bx2 n GLN 107 Cb 0.45 0.06 -0.05 0.00 -0.86 0.00 0.00 30.24 29.84 1bx2 n GLN 107 CO 0.00 0.00 0.00 -1.25 -1.83 0.00 0.00 177.06 173.98 1bx2 s PRO 108 N -2.10 4.26 1.16 2.61 0.05 -1.26 -2.47 135.00 137.26 1bx2 s PRO 108 Ca 0.00 1.38 -0.17 0.00 0.05 0.00 0.00 61.00 62.27 1bx2 s PRO 108 Cb 0.00 -2.52 0.19 0.00 0.05 0.00 0.00 34.50 32.23 1bx2 s PRO 108 CO 0.00 -0.03 0.41 -0.11 0.05 0.00 0.00 177.00 177.33 1bx2 n LEU 109 N -0.06 -2.18 0.00 -3.56 7.94 -1.26 -3.93 117.00 113.95 1bx2 n LEU 109 Ca 0.05 -0.19 0.00 0.00 -1.11 0.00 0.00 56.01 54.76 1bx2 n LEU 109 Cb 0.51 -1.07 0.00 0.00 0.53 0.00 0.00 43.42 43.39 1bx2 n LEU 109 CO 0.43 -3.22 0.00 0.00 -1.11 0.00 0.00 177.39 173.49 1bx2 n GLN 110 N -3.34 -0.31 -4.41 1.96 6.02 -0.28 -5.04 117.38 111.98 1bx2 n GLN 110 Ca 0.01 0.08 -0.27 0.00 -0.01 0.00 0.00 57.00 56.81 1bx2 n GLN 110 Cb 0.59 -3.29 -0.12 0.00 1.02 0.00 0.00 30.24 28.44 1bx2 n GLN 110 CO 0.00 0.00 0.00 -1.01 -1.01 0.00 0.00 177.06 175.04 1bx2 s HIS 111 N -2.13 2.27 0.28 1.08 3.76 -1.25 -4.92 115.29 114.38 1bx2 s HIS 111 Ca 0.00 -0.37 -0.30 0.00 -0.15 0.00 0.00 55.06 54.24 1bx2 s HIS 111 Cb 0.00 -1.15 -0.12 0.00 1.11 0.00 0.00 32.58 32.42 1bx2 s HIS 111 CO 0.00 0.45 1.50 -2.39 -0.85 0.00 0.00 174.74 173.44 1bx2 n HIS 112 N 0.44 2.56 -4.27 1.40 1.44 -1.26 -4.25 115.22 111.29 1bx2 n HIS 112 Ca -0.14 0.35 -0.19 0.00 -2.01 0.00 0.00 57.72 55.73 1bx2 n HIS 112 Cb 0.55 -2.53 -0.08 0.00 0.12 0.00 0.00 29.99 28.05 1bx2 n HIS 112 CO 0.00 0.00 0.00 1.21 -2.81 0.00 0.00 176.34 174.74 1bx2 s ASN 113 N 0.33 1.55 -0.15 4.39 3.04 0.12 -4.97 114.94 119.25 1bx2 s ASN 113 Ca 0.64 -1.72 -0.01 0.00 0.04 0.00 0.00 52.86 51.81 1bx2 s ASN 113 Cb -0.56 0.56 0.04 0.00 -1.54 0.00 0.00 41.25 39.75 1bx2 s ASN 113 CO 0.51 -1.07 -0.02 -0.22 -3.04 0.00 0.00 177.10 173.25 1bx2 s LEU 114 N -3.35 1.29 -0.35 3.21 2.96 -1.26 -2.06 118.68 119.12 1bx2 s LEU 114 Ca 0.40 -0.57 -0.17 0.00 -0.22 0.00 0.00 54.13 53.57 1bx2 s LEU 114 Cb 0.02 -0.74 -0.00 0.00 0.50 0.00 0.00 46.19 45.97 1bx2 s LEU 114 CO 0.26 -0.21 0.47 -0.76 -1.32 0.00 0.00 176.35 174.80 1bx2 s LEU 115 N 1.75 4.40 -0.14 -0.68 1.02 -0.49 -1.35 118.68 123.20 1bx2 s LEU 115 Ca 0.01 -0.12 -0.12 0.00 0.02 0.00 0.00 54.13 53.93 1bx2 s LEU 115 Cb -0.15 -2.51 -0.05 0.00 0.02 0.00 0.00 46.19 43.50 1bx2 s LEU 115 CO -0.07 -0.45 0.24 -0.69 0.02 0.00 0.00 176.35 175.39 1bx2 s VAL 116 N 2.29 5.34 -0.28 -1.59 1.01 0.61 -1.14 120.40 126.64 1bx2 s VAL 116 Ca 0.17 0.44 0.01 0.00 0.00 0.00 0.00 61.98 62.59 1bx2 s VAL 116 Cb -0.16 -3.56 0.06 0.00 0.00 0.00 0.00 36.38 32.72 1bx2 s VAL 116 CO 0.13 0.47 -0.06 0.00 0.00 0.00 0.00 175.10 175.64 1bx2 s SER 118 N 1.16 5.85 -0.20 0.00 1.04 0.40 -1.46 113.70 120.49 1bx2 s SER 118 Ca -0.06 0.10 -0.02 0.00 0.48 0.00 0.00 55.95 56.45 1bx2 s SER 118 Cb -0.20 -2.03 -0.00 0.00 0.10 0.00 0.00 66.02 63.89 1bx2 s SER 118 CO -0.04 0.13 -0.10 -0.69 0.98 0.00 0.00 173.24 173.52 1bx2 s VAL 119 N 0.63 2.91 0.08 5.02 1.01 -0.01 -1.61 120.40 128.44 1bx2 s VAL 119 Ca 0.06 -0.66 0.03 0.00 0.00 0.00 0.00 61.98 61.41 1bx2 s VAL 119 Cb -0.13 -2.29 -0.03 0.00 0.00 0.00 0.00 36.38 33.93 1bx2 s VAL 119 CO 0.01 0.47 -0.09 -0.94 0.00 0.00 0.00 175.10 174.55 1bx2 s SER 120 N 1.28 1.24 -1.03 3.32 1.04 -0.62 -0.90 113.70 118.03 1bx2 s SER 120 Ca 0.03 -0.80 0.00 0.00 0.48 0.00 0.00 55.95 55.66 1bx2 s SER 120 Cb -0.14 0.04 0.00 0.00 0.10 0.00 0.00 66.02 66.01 1bx2 s SER 120 CO -0.05 -0.30 0.00 0.61 0.98 0.00 0.00 173.24 174.48 1bx2 n GLY 121 N 0.62 0.63 3.99 7.32 0.00 -0.75 -0.02 105.19 116.98 1bx2 n GLY 121 Ca -0.17 -0.50 -0.19 0.00 0.00 0.00 0.00 46.02 45.16 1bx2 n GLY 121 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 1bx2 s PHE 122 N -2.46 3.06 -0.28 1.61 -0.12 -1.13 -4.57 117.98 114.10 1bx2 s PHE 122 Ca 0.00 -0.18 -0.23 0.00 -0.05 0.00 0.00 56.93 56.48 1bx2 s PHE 122 Cb 0.00 -2.16 0.12 0.00 -0.63 0.00 0.00 43.02 40.35 1bx2 s PHE 122 CO 0.00 -0.19 0.96 -0.47 -0.05 0.00 0.00 175.22 175.47 1bx2 s TYR 123 N -2.30 -0.57 1.01 3.49 6.14 -0.92 0.03 117.35 124.23 1bx2 s TYR 123 Ca 0.48 1.31 -0.17 0.00 0.64 0.00 0.00 57.07 59.33 1bx2 s TYR 123 Cb -0.10 0.37 0.25 0.00 0.42 0.00 0.00 41.96 42.90 1bx2 s TYR 123 CO 0.33 -0.28 1.07 -2.30 0.64 0.00 0.00 175.55 175.01 1bx2 n PRO 124 N 2.70 -2.21 0.27 4.97 -0.02 -1.26 -0.70 135.00 138.75 1bx2 n PRO 124 Ca -0.14 -1.69 0.18 0.00 -2.02 0.00 0.00 63.50 59.82 1bx2 n PRO 124 Cb 0.56 -1.37 0.76 0.00 -0.02 0.00 0.00 33.50 33.43 1bx2 n PRO 124 CO 0.00 0.00 0.00 0.78 1.98 0.00 0.00 175.50 178.26 1bx2 h GLY 125 N -2.12 0.00 -4.76 -1.23 0.00 -1.98 -3.44 103.07 89.54 1bx2 h GLY 125 Ca -0.38 0.00 -0.54 0.00 0.00 0.00 0.00 47.33 46.42 1bx2 h GLY 125 CO 0.25 0.00 0.81 -0.45 0.00 0.00 0.00 176.54 177.15 1bx2 s SER 126 N -5.40 6.82 0.03 0.19 0.15 -1.26 -4.98 113.70 109.24 1bx2 s SER 126 Ca 0.00 2.22 -0.28 0.00 0.70 0.00 0.00 55.95 58.59 1bx2 s SER 126 Cb 0.10 -2.57 0.07 0.00 -1.71 0.00 0.00 66.02 61.91 1bx2 s SER 126 CO 0.50 -0.71 0.66 -0.51 1.20 0.00 0.00 173.24 174.38 1bx2 s ILE 127 N 1.98 0.00 -0.09 6.45 2.07 -1.26 -4.59 121.20 125.76 1bx2 s ILE 127 Ca 0.65 0.00 -0.00 0.00 -1.41 0.00 0.00 60.65 59.89 1bx2 s ILE 127 Cb -0.34 -1.00 0.02 0.00 0.13 0.00 0.00 42.46 41.27 1bx2 s ILE 127 CO 0.28 0.00 -0.06 -0.70 -1.91 0.00 0.00 174.94 172.55 1bx2 s GLU 128 N -2.20 1.24 -0.09 3.50 2.56 -0.76 -4.99 118.70 117.96 1bx2 s GLU 128 Ca -0.06 -0.17 0.01 0.00 0.00 0.00 0.00 54.97 54.75 1bx2 s GLU 128 Cb -0.00 -1.32 -0.02 0.00 2.00 0.00 0.00 34.13 34.79 1bx2 s GLU 128 CO 0.01 -0.21 -0.14 0.08 -0.56 0.00 0.00 175.26 174.44 1bx2 s VAL 129 N 1.51 3.06 0.08 3.70 1.01 -1.26 -0.54 120.40 127.96 1bx2 s VAL 129 Ca -0.00 -0.69 0.03 0.00 0.00 0.00 0.00 61.98 61.32 1bx2 s VAL 129 Cb -0.13 -2.25 -0.03 0.00 0.00 0.00 0.00 36.38 33.97 1bx2 s VAL 129 CO -0.05 0.55 -0.08 -0.13 0.00 0.00 0.00 175.10 175.39 1bx2 s ARG 130 N -0.13 0.74 0.01 2.72 0.52 -0.11 -4.98 118.95 117.73 1bx2 s ARG 130 Ca -0.01 -1.09 0.08 0.00 -0.52 0.00 0.00 55.73 54.19 1bx2 s ARG 130 Cb -0.14 -0.36 -0.02 0.00 0.52 0.00 0.00 34.95 34.96 1bx2 s ARG 130 CO 0.03 0.04 -0.24 -1.58 0.02 0.00 0.00 175.30 173.58 1bx2 s TRP 131 N -2.48 2.13 0.00 -0.53 0.52 -1.26 -0.46 118.94 116.86 1bx2 s TRP 131 Ca 0.03 -0.40 0.04 0.00 0.02 0.00 0.00 56.10 55.79 1bx2 s TRP 131 Cb -0.03 -1.33 -0.01 0.00 -1.15 0.00 0.00 33.47 30.95 1bx2 s TRP 131 CO -0.01 0.02 -0.13 -0.06 0.02 0.00 0.00 176.95 176.79 1bx2 s PHE 132 N -0.66 1.19 -0.23 -1.98 0.40 0.46 -0.30 117.98 116.86 1bx2 s PHE 132 Ca 0.10 -0.25 0.02 0.00 -0.60 0.00 0.00 56.93 56.19 1bx2 s PHE 132 Cb -0.09 -0.75 0.05 0.00 0.51 0.00 0.00 43.02 42.74 1bx2 s PHE 132 CO 0.00 -0.01 -0.09 -1.17 0.70 0.00 0.00 175.22 174.65 1bx2 s LEU 133 N -0.50 2.78 -1.35 -0.37 2.96 0.52 -0.74 118.68 121.98 1bx2 s LEU 133 Ca 0.04 -1.16 -0.07 0.00 -0.22 0.00 0.00 54.13 52.72 1bx2 s LEU 133 Cb -0.06 -1.34 0.02 0.00 0.50 0.00 0.00 46.19 45.32 1bx2 s LEU 133 CO -0.00 -0.19 1.08 0.59 -1.32 0.00 0.00 176.35 176.51 1bx2 n ASN 134 N 4.59 -4.79 0.00 3.68 3.02 -0.27 -2.27 115.26 119.22 1bx2 n ASN 134 Ca -0.14 -0.62 0.00 0.00 -0.03 0.00 0.00 54.58 53.79 1bx2 n ASN 134 Cb 0.44 -4.80 0.00 0.00 -0.61 0.00 0.00 39.78 34.81 1bx2 n ASN 134 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1bx2 n GLY 135 N -1.74 1.39 3.42 7.41 0.00 -1.26 -5.02 105.19 109.39 1bx2 n GLY 135 Ca -0.07 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.62 1bx2 n GLY 135 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1bx2 s GLN 136 N -0.08 3.13 0.24 1.61 -0.21 -0.96 -5.07 119.66 118.31 1bx2 s GLN 136 Ca 0.00 -0.66 -0.30 0.00 0.02 0.00 0.00 55.36 54.42 1bx2 s GLN 136 Cb 0.00 -2.58 -0.09 0.00 1.00 0.00 0.00 33.01 31.33 1bx2 s GLN 136 CO 0.00 0.36 1.34 -2.00 -2.12 0.00 0.00 175.29 172.87 1bx2 s GLU 137 N -0.02 4.36 -0.18 2.91 2.12 -1.26 -0.36 118.70 126.27 1bx2 s GLU 137 Ca -0.03 2.15 -0.15 0.00 0.36 0.00 0.00 54.97 57.29 1bx2 s GLU 137 Cb -0.14 -3.15 -0.04 0.00 0.26 0.00 0.00 34.13 31.06 1bx2 s GLU 137 CO 0.04 -0.27 0.36 -1.21 -0.54 0.00 0.00 175.26 173.64 1bx2 s GLU 138 N -0.52 4.22 0.00 4.30 0.41 0.59 -4.88 118.70 122.82 1bx2 s GLU 138 Ca 0.56 0.18 0.14 0.00 -0.41 0.00 0.00 54.97 55.44 1bx2 s GLU 138 Cb -0.38 -3.48 0.10 0.00 -1.78 0.00 0.00 34.13 28.58 1bx2 s GLU 138 CO 0.42 0.09 0.93 1.63 -0.49 0.00 0.00 175.26 177.84 1bx2 n LYS 139 N 4.05 1.01 -4.17 1.61 5.02 -1.26 -4.55 118.16 119.86 1bx2 n LYS 139 Ca -0.10 -1.29 -0.12 0.00 -2.02 0.00 0.00 58.31 54.78 1bx2 n LYS 139 Cb 0.51 -1.26 -0.10 0.00 -0.02 0.00 0.00 35.03 34.16 1bx2 n LYS 139 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1bx2 s ALA 140 N -1.20 1.04 0.00 7.82 0.00 -1.26 -4.84 121.76 123.32 1bx2 s ALA 140 Ca 0.16 -1.30 0.00 0.00 0.00 0.00 0.00 51.96 50.82 1bx2 s ALA 140 Cb 0.12 0.11 0.00 0.00 0.00 0.00 0.00 23.12 23.35 1bx2 s ALA 140 CO 0.19 -0.17 0.00 0.41 0.00 0.00 0.00 175.76 176.19 1bx2 n GLY 141 N 0.14 0.63 3.44 0.00 0.00 -1.26 -4.80 105.19 103.33 1bx2 n GLY 141 Ca -0.13 -0.74 -0.36 0.00 0.00 0.00 0.00 46.02 44.79 1bx2 n GLY 141 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 1bx2 s MET 142 N -1.83 3.62 -0.25 1.61 1.00 -1.26 -0.39 119.30 121.81 1bx2 s MET 142 Ca 0.00 -0.51 -0.03 0.00 0.00 0.00 0.00 55.69 55.15 1bx2 s MET 142 Cb 0.00 -3.17 0.02 0.00 0.00 0.00 0.00 34.83 31.67 1bx2 s MET 142 CO 0.00 -0.08 -0.03 0.08 0.00 0.00 0.00 175.02 174.98 1bx2 s VAL 143 N 1.28 3.17 0.16 -6.03 1.01 -0.04 -4.93 120.40 115.02 1bx2 s VAL 143 Ca 0.04 -0.85 0.07 0.00 0.00 0.00 0.00 61.98 61.24 1bx2 s VAL 143 Cb -0.15 -2.57 -0.04 0.00 0.00 0.00 0.00 36.38 33.62 1bx2 s VAL 143 CO 0.02 0.23 0.01 -0.55 0.00 0.00 0.00 175.10 174.80 1bx2 s SER 144 N 1.39 4.85 0.01 3.32 0.15 -1.26 -0.57 113.70 121.59 1bx2 s SER 144 Ca 0.02 -0.34 0.25 0.00 0.70 0.00 0.00 55.95 56.57 1bx2 s SER 144 Cb -0.16 -1.07 0.47 0.00 -1.71 0.00 0.00 66.02 63.55 1bx2 s SER 144 CO -0.03 0.10 1.39 0.35 1.20 0.00 0.00 173.24 176.25 1bx2 n THR 145 N -0.01 0.03 -0.02 6.45 -2.24 -0.24 -5.01 114.28 113.24 1bx2 n THR 145 Ca -0.10 -0.03 0.00 0.00 -2.27 0.00 0.00 64.05 61.66 1bx2 n THR 145 Cb 0.55 0.23 -0.00 0.00 -2.10 0.00 0.00 70.33 69.01 1bx2 n THR 145 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1bx2 n GLY 146 N 1.48 -1.52 3.70 3.38 0.00 -1.26 -4.86 105.19 106.12 1bx2 n GLY 146 Ca 0.05 -1.52 -0.42 0.00 0.00 0.00 0.00 46.02 44.13 1bx2 n GLY 146 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 1bx2 s LEU 147 N -3.12 4.32 -0.20 0.99 2.96 -1.26 -4.48 118.68 117.89 1bx2 s LEU 147 Ca 0.00 2.01 -0.00 0.00 -0.22 0.00 0.00 54.13 55.92 1bx2 s LEU 147 Cb 0.00 -3.57 0.02 0.00 0.50 0.00 0.00 46.19 43.14 1bx2 s LEU 147 CO 0.00 -0.60 -0.14 -0.63 -1.32 0.00 0.00 176.35 173.65 1bx2 s ILE 148 N 1.86 2.45 -0.40 6.68 1.01 -0.01 -4.98 121.20 127.82 1bx2 s ILE 148 Ca 0.60 -0.88 -0.24 0.00 0.00 0.00 0.00 60.65 60.13 1bx2 s ILE 148 Cb -0.29 -2.10 0.02 0.00 0.01 0.00 0.00 42.46 40.10 1bx2 s ILE 148 CO 0.26 0.45 0.83 -1.58 0.00 0.00 0.00 174.94 174.90 1bx2 s GLN 149 N 1.33 3.64 0.00 2.79 0.74 -1.26 -1.42 119.66 125.48 1bx2 s GLN 149 Ca 0.04 0.22 0.21 0.00 0.05 0.00 0.00 55.36 55.88 1bx2 s GLN 149 Cb -0.14 -3.86 1.01 0.00 1.10 0.00 0.00 33.01 31.12 1bx2 s GLN 149 CO -0.09 -1.00 1.65 0.09 -0.55 0.00 0.00 175.29 175.39 1bx2 n ASN 150 N 6.69 0.00 0.00 6.67 3.02 -0.95 -4.90 115.26 125.79 1bx2 n ASN 150 Ca 0.04 0.08 0.00 0.00 -0.03 0.00 0.00 54.58 54.67 1bx2 n ASN 150 Cb 0.48 -0.32 0.00 0.00 -0.61 0.00 0.00 39.78 39.33 1bx2 n ASN 150 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1bx2 n GLY 151 N 0.49 0.84 1.28 7.41 0.00 -1.26 -4.87 105.19 109.07 1bx2 n GLY 151 Ca 0.09 0.00 -0.00 0.00 0.00 0.00 0.00 46.02 46.11 1bx2 n GLY 151 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 1bx2 n ASP 152 N -0.01 2.07 -1.52 1.61 5.68 -1.26 -4.96 116.55 118.16 1bx2 n ASP 152 Ca 0.00 -3.23 -0.11 0.00 -0.50 0.00 0.00 54.79 50.96 1bx2 n ASP 152 Cb 0.00 -0.43 0.02 0.00 -1.14 0.00 0.00 41.12 39.56 1bx2 n ASP 152 CO 0.00 0.00 0.00 0.79 -1.33 0.00 0.00 177.20 176.66 1bx2 n TRP 153 N -0.59 -0.90 -3.77 2.11 7.02 -1.26 -5.04 117.44 115.02 1bx2 n TRP 153 Ca 0.19 0.23 -0.10 0.00 -1.02 0.00 0.00 57.50 56.79 1bx2 n TRP 153 Cb 0.86 -2.65 -0.07 0.00 -2.42 0.00 0.00 31.31 27.04 1bx2 n TRP 153 CO 0.00 0.00 0.00 0.95 -2.02 0.00 0.00 177.69 176.62 1bx2 s THR 154 N -2.80 0.10 0.44 -0.99 -4.23 -1.26 -4.78 115.64 102.12 1bx2 s THR 154 Ca 0.13 -0.84 0.04 0.00 -1.18 0.00 0.00 61.69 59.84 1bx2 s THR 154 Cb -0.06 -1.14 -0.05 0.00 1.34 0.00 0.00 72.50 72.59 1bx2 s THR 154 CO 0.16 -0.47 0.02 -0.36 -0.54 0.00 0.00 174.62 173.43 1bx2 s PHE 155 N -3.34 2.17 0.14 3.99 0.40 0.10 -2.24 117.98 119.21 1bx2 s PHE 155 Ca 0.01 -0.84 -0.17 0.00 -0.60 0.00 0.00 56.93 55.32 1bx2 s PHE 155 Cb 0.02 -1.64 0.04 0.00 0.51 0.00 0.00 43.02 41.95 1bx2 s PHE 155 CO -0.08 0.28 0.45 1.14 0.70 0.00 0.00 175.22 177.71 1bx2 s GLN 156 N -3.79 1.14 -0.01 0.44 -2.07 -0.51 -1.81 119.66 113.05 1bx2 s GLN 156 Ca 0.23 -0.68 -0.28 0.00 -1.82 0.00 0.00 55.36 52.81 1bx2 s GLN 156 Cb 0.06 0.50 0.09 0.00 -1.09 0.00 0.00 33.01 32.57 1bx2 s GLN 156 CO 0.12 -0.46 0.81 -0.08 -1.32 0.00 0.00 175.29 174.36 1bx2 s THR 157 N -3.80 0.00 -0.01 3.63 -1.32 -0.08 -0.83 115.64 113.22 1bx2 s THR 157 Ca 0.03 0.00 0.02 0.00 -1.21 0.00 0.00 61.69 60.54 1bx2 s THR 157 Cb 0.01 -1.00 -0.00 0.00 -1.51 0.00 0.00 72.50 70.00 1bx2 s THR 157 CO -0.11 0.00 -0.08 -0.76 -2.21 0.00 0.00 174.62 171.46 1bx2 s LEU 158 N -2.04 1.89 -0.07 9.08 1.02 -1.26 -0.83 118.68 126.46 1bx2 s LEU 158 Ca -0.00 -0.15 0.00 0.00 0.02 0.00 0.00 54.13 54.00 1bx2 s LEU 158 Cb -0.01 -0.44 0.02 0.00 0.02 0.00 0.00 46.19 45.79 1bx2 s LEU 158 CO -0.04 0.07 -0.05 -0.69 0.02 0.00 0.00 176.35 175.66 1bx2 s VAL 159 N 0.02 0.68 0.16 -1.59 1.01 -0.54 -1.08 120.40 119.06 1bx2 s VAL 159 Ca 0.00 -0.14 0.07 0.00 0.00 0.00 0.00 61.98 61.92 1bx2 s VAL 159 Cb -0.06 -0.72 -0.04 0.00 0.00 0.00 0.00 36.38 35.56 1bx2 s VAL 159 CO -0.00 0.28 -0.04 -0.04 0.00 0.00 0.00 175.10 175.30 1bx2 s MET 160 N 1.36 2.29 -0.06 2.72 1.00 0.26 -1.04 119.30 125.83 1bx2 s MET 160 Ca -0.03 -1.11 0.05 0.00 0.00 0.00 0.00 55.69 54.59 1bx2 s MET 160 Cb -0.14 -2.32 -0.00 0.00 0.00 0.00 0.00 34.83 32.38 1bx2 s MET 160 CO -0.03 0.46 -0.21 -1.17 0.00 0.00 0.00 175.02 174.07 1bx2 s LEU 161 N -2.75 1.99 -0.29 -0.03 2.96 -0.30 -0.86 118.68 119.40 1bx2 s LEU 161 Ca 0.26 -0.46 -0.21 0.00 -0.22 0.00 0.00 54.13 53.50 1bx2 s LEU 161 Cb -0.10 -1.21 -0.01 0.00 0.50 0.00 0.00 46.19 45.37 1bx2 s LEU 161 CO 0.17 0.18 0.67 -1.61 -1.32 0.00 0.00 176.35 174.44 1bx2 s GLU 162 N 0.09 3.98 0.30 1.98 2.02 0.48 -1.39 118.70 126.16 1bx2 s GLU 162 Ca -0.08 0.45 0.04 0.00 0.02 0.00 0.00 54.97 55.40 1bx2 s GLU 162 Cb -0.14 -3.70 -0.03 0.00 0.10 0.00 0.00 34.13 30.35 1bx2 s GLU 162 CO 0.04 -0.55 0.21 0.95 0.02 0.00 0.00 175.26 175.94 1bx2 s THR 163 N 2.66 0.10 -0.39 3.63 -4.23 -0.87 -4.90 115.64 111.64 1bx2 s THR 163 Ca 0.27 -2.00 0.03 0.00 -1.18 0.00 0.00 61.69 58.81 1bx2 s THR 163 Cb -0.15 -2.49 0.16 0.00 1.34 0.00 0.00 72.50 71.36 1bx2 s THR 163 CO 0.11 0.00 0.29 -0.69 -0.54 0.00 0.00 174.62 173.79 1bx2 s VAL 164 N -3.62 0.26 0.35 2.29 1.01 -1.26 0.15 120.40 119.58 1bx2 s VAL 164 Ca 0.38 -2.31 -0.28 0.00 0.00 0.00 0.00 61.98 59.76 1bx2 s VAL 164 Cb 0.04 -1.20 -0.11 0.00 0.00 0.00 0.00 36.38 35.11 1bx2 s VAL 164 CO 0.21 -1.15 1.40 -2.84 0.00 0.00 0.00 175.10 172.72 1bx2 s PRO 165 N 0.42 4.24 0.25 2.72 0.02 -1.26 -4.88 135.00 136.50 1bx2 s PRO 165 Ca 0.28 2.39 0.04 0.00 0.02 0.00 0.00 61.00 63.72 1bx2 s PRO 165 Cb -0.06 -3.02 -0.05 0.00 0.02 0.00 0.00 34.50 31.39 1bx2 s PRO 165 CO -0.13 -0.36 -0.00 1.03 -0.33 0.00 0.00 177.00 177.21 1bx2 s ARG 166 N -1.87 1.40 0.30 5.54 0.52 -1.26 -1.13 118.95 122.45 1bx2 s ARG 166 Ca 0.51 -1.72 -0.30 0.00 -0.52 0.00 0.00 55.73 53.71 1bx2 s ARG 166 Cb -0.43 -0.70 -0.12 0.00 0.52 0.00 0.00 34.95 34.21 1bx2 s ARG 166 CO 0.57 -0.09 1.47 0.43 0.02 0.00 0.00 175.30 177.70 1bx2 n SER 167 N -0.47 3.33 0.00 0.23 7.64 -1.26 -2.67 113.62 120.41 1bx2 n SER 167 Ca -0.05 1.17 0.00 0.00 1.01 0.00 0.00 58.87 61.00 1bx2 n SER 167 Cb 0.64 -1.53 0.00 0.00 -1.01 0.00 0.00 64.21 62.31 1bx2 n SER 167 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1bx2 n GLY 168 N 1.70 0.67 3.81 0.23 0.00 -1.26 -5.03 105.19 105.32 1bx2 n GLY 168 Ca 0.08 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.73 1bx2 n GLY 168 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1bx2 s GLU 169 N -0.01 4.24 -0.10 1.61 2.02 -1.09 -4.93 118.70 120.45 1bx2 s GLU 169 Ca 0.00 0.83 0.00 0.00 0.02 0.00 0.00 54.97 55.82 1bx2 s GLU 169 Cb 0.00 -2.98 0.02 0.00 0.10 0.00 0.00 34.13 31.27 1bx2 s GLU 169 CO 0.00 0.46 -0.08 0.08 0.02 0.00 0.00 175.26 175.74 1bx2 s VAL 170 N -1.42 0.99 -0.11 2.63 1.01 -1.26 0.10 120.40 122.35 1bx2 s VAL 170 Ca 0.39 -0.30 -0.03 0.00 0.00 0.00 0.00 61.98 62.05 1bx2 s VAL 170 Cb -0.18 -0.99 -0.03 0.00 0.00 0.00 0.00 36.38 35.18 1bx2 s VAL 170 CO 0.21 0.35 -0.00 -0.31 0.00 0.00 0.00 175.10 175.35 1bx2 s TYR 171 N 1.44 3.14 -0.04 5.22 1.51 -0.69 -1.12 117.35 126.82 1bx2 s TYR 171 Ca -0.00 0.10 0.04 0.00 -1.01 0.00 0.00 57.07 56.20 1bx2 s TYR 171 Cb -0.13 -1.84 -0.00 0.00 -0.11 0.00 0.00 41.96 39.87 1bx2 s TYR 171 CO -0.05 0.35 -0.16 0.99 -1.11 0.00 0.00 175.55 175.58 1bx2 s THR 172 N -0.55 1.31 -0.19 -0.71 2.01 0.08 -0.39 115.64 117.20 1bx2 s THR 172 Ca 0.09 -0.66 -0.08 0.00 0.31 0.00 0.00 61.69 61.36 1bx2 s THR 172 Cb -0.12 -1.13 -0.04 0.00 0.01 0.00 0.00 72.50 71.22 1bx2 s THR 172 CO 0.02 0.38 0.07 0.00 -0.69 0.00 0.00 174.62 174.40 1bx2 s GLN 174 N 0.54 3.01 -0.11 0.00 0.74 0.39 -2.15 119.66 122.08 1bx2 s GLN 174 Ca 0.04 -0.86 0.03 0.00 0.05 0.00 0.00 55.36 54.61 1bx2 s GLN 174 Cb -0.13 -2.31 -0.00 0.00 1.10 0.00 0.00 33.01 31.67 1bx2 s GLN 174 CO 0.01 0.13 -0.21 0.08 -0.55 0.00 0.00 175.29 174.74 1bx2 s VAL 175 N 0.47 2.28 -0.16 1.34 1.01 0.16 -0.93 120.40 124.56 1bx2 s VAL 175 Ca -0.16 -0.94 -0.05 0.00 0.00 0.00 0.00 61.98 60.83 1bx2 s VAL 175 Cb -0.17 -1.90 -0.03 0.00 0.00 0.00 0.00 36.38 34.28 1bx2 s VAL 175 CO 0.06 0.55 0.01 -1.61 0.00 0.00 0.00 175.10 174.11 1bx2 s GLU 176 N 0.40 3.75 -0.23 2.72 2.02 0.29 -0.85 118.70 126.80 1bx2 s GLU 176 Ca -0.16 -0.43 -0.21 0.00 0.02 0.00 0.00 54.97 54.19 1bx2 s GLU 176 Cb -0.17 -3.04 0.06 0.00 0.10 0.00 0.00 34.13 31.08 1bx2 s GLU 176 CO 0.07 0.30 0.62 -1.58 0.02 0.00 0.00 175.26 174.69 1bx2 s HIS 177 N 0.24 -0.69 0.62 1.61 2.46 -1.26 -1.82 115.29 116.45 1bx2 s HIS 177 Ca 0.01 1.67 0.25 0.00 0.47 0.00 0.00 55.06 57.46 1bx2 s HIS 177 Cb -0.13 0.25 1.24 0.00 -0.13 0.00 0.00 32.58 33.81 1bx2 s HIS 177 CO 0.02 -0.33 1.69 -1.00 -2.47 0.00 0.00 174.74 172.64 1bx2 h PRO 178 N 5.27 0.00 -0.54 2.88 0.13 -1.94 0.64 132.00 138.44 1bx2 h PRO 178 Ca -0.29 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.84 1bx2 h PRO 178 Cb 1.17 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.30 1bx2 h PRO 178 CO 0.12 0.00 0.00 -1.13 -0.23 0.00 0.00 178.00 176.76 1bx2 n SER 179 N -3.23 1.93 -3.69 1.44 3.41 -1.26 -4.75 113.62 107.46 1bx2 n SER 179 Ca 0.07 -2.15 -0.13 0.00 -0.26 0.00 0.00 58.87 56.40 1bx2 n SER 179 Cb 0.78 -0.36 -0.13 0.00 -0.26 0.00 0.00 64.21 64.24 1bx2 n SER 179 CO 0.00 0.00 0.00 -0.69 -0.16 0.00 0.00 175.04 174.19 1bx2 s VAL 180 N -1.63 -0.27 0.11 -3.33 1.01 0.22 -4.74 120.40 111.77 1bx2 s VAL 180 Ca 0.17 0.22 -0.15 0.00 0.00 0.00 0.00 61.98 62.22 1bx2 s VAL 180 Cb 0.11 -0.44 -0.04 0.00 0.00 0.00 0.00 36.38 36.01 1bx2 s VAL 180 CO 0.08 0.09 1.53 0.71 0.00 0.00 0.00 175.10 177.52 1bx2 h THR 181 N 6.09 1.27 -3.10 3.92 1.35 -1.85 -3.42 112.91 117.18 1bx2 h THR 181 Ca -0.25 -1.07 -0.65 0.00 -0.55 0.00 0.00 66.41 63.90 1bx2 h THR 181 Cb 1.13 1.25 -0.35 0.00 -1.73 0.00 0.00 68.15 68.45 1bx2 h THR 181 CO 0.23 0.35 -0.85 -0.94 -0.25 0.00 0.00 175.52 174.06 1bx2 s SER 182 N -6.21 3.01 0.38 5.36 1.04 -1.26 -5.11 113.70 110.92 1bx2 s SER 182 Ca -0.13 -0.61 -0.15 0.00 0.48 0.00 0.00 55.95 55.54 1bx2 s SER 182 Cb 0.09 -1.38 -0.12 0.00 0.10 0.00 0.00 66.02 64.71 1bx2 s SER 182 CO 0.79 -0.02 -0.06 -2.65 0.98 0.00 0.00 173.24 172.27 1bx2 n PRO 183 N 4.67 0.00 -3.52 4.02 -0.01 -1.26 -4.96 135.00 133.93 1bx2 n PRO 183 Ca -0.20 0.00 -0.37 0.00 -0.01 0.00 0.00 63.50 62.92 1bx2 n PRO 183 Cb 0.50 -0.79 -0.06 0.00 -0.01 0.00 0.00 33.50 33.14 1bx2 n PRO 183 CO 0.00 0.00 0.00 -0.51 -0.01 0.00 0.00 175.50 174.98 1bx2 s LEU 184 N 3.83 4.44 0.00 2.45 1.43 -0.03 -4.89 118.68 125.92 1bx2 s LEU 184 Ca 0.45 0.92 0.01 0.00 -1.03 0.00 0.00 54.13 54.48 1bx2 s LEU 184 Cb -0.41 -2.69 -0.01 0.00 0.03 0.00 0.00 46.19 43.11 1bx2 s LEU 184 CO 0.51 0.29 -0.02 0.42 0.23 0.00 0.00 176.35 177.78 1bx2 s THR 185 N -1.16 0.17 -0.03 5.49 -4.23 -1.26 0.36 115.64 114.98 1bx2 s THR 185 Ca 0.26 -0.26 -0.01 0.00 -1.18 0.00 0.00 61.69 60.50 1bx2 s THR 185 Cb -0.16 -0.18 0.03 0.00 1.34 0.00 0.00 72.50 73.53 1bx2 s THR 185 CO 0.14 -0.06 0.05 0.54 -0.54 0.00 0.00 174.62 174.75 1bx2 s VAL 186 N -0.33 -0.06 0.42 2.29 0.11 -0.91 -4.98 120.40 116.93 1bx2 s VAL 186 Ca -0.02 0.23 0.08 0.00 -2.93 0.00 0.00 61.98 59.33 1bx2 s VAL 186 Cb -0.03 -0.11 -0.01 0.00 -1.53 0.00 0.00 36.38 34.70 1bx2 s VAL 186 CO -0.00 0.09 0.45 -1.61 -3.33 0.00 0.00 175.10 170.70 1bx2 s GLU 187 N 1.18 2.63 -0.17 1.54 2.02 -1.26 -1.88 118.70 122.76 1bx2 s GLU 187 Ca -0.08 -1.44 -0.04 0.00 0.02 0.00 0.00 54.97 53.43 1bx2 s GLU 187 Cb -0.13 -2.51 0.08 0.00 0.10 0.00 0.00 34.13 31.67 1bx2 s GLU 187 CO -0.04 -0.24 0.19 -0.46 0.02 0.00 0.00 175.26 174.74 1bx2 s TRP 188 N -2.44 -0.18 -0.19 1.61 -0.00 0.48 -4.95 118.94 113.27 1bx2 s TRP 188 Ca 0.51 0.23 -0.26 0.00 -0.00 0.00 0.00 56.10 56.57 1bx2 s TRP 188 Cb -0.06 -0.39 -0.01 0.00 -0.00 0.00 0.00 33.47 33.02 1bx2 s TRP 188 CO 0.30 -0.52 0.89 -0.98 -0.00 0.00 0.00 176.95 176.64 1bx2 s ARG 189 N 2.29 4.28 -0.74 5.86 1.70 -1.26 -1.70 118.95 129.38 1bx2 s ARG 189 Ca 0.05 1.11 -0.30 0.00 -0.47 0.00 0.00 55.73 56.11 1bx2 s ARG 189 Cb -0.15 -3.60 -0.16 0.00 -0.57 0.00 0.00 34.95 30.48 1bx2 s ARG 189 CO -0.10 -0.42 2.53 0.00 -1.08 0.00 0.00 175.30 176.22 1bx2 n ALA 190 N 5.56 0.53 -2.67 7.88 0.00 0.12 -4.88 120.51 127.05 1bx2 n ALA 190 Ca 0.07 -0.45 -0.31 0.00 0.00 0.00 0.00 53.44 52.75 1bx2 n ALA 190 Cb 0.48 -2.60 -0.16 0.00 0.00 0.00 0.00 19.45 17.17 1bx2 n ALA 190 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 177.50 178.00 1bx2 s ARG 191 N 8.32 2.36 -0.22 0.00 3.52 -1.26 -4.28 118.95 127.38 1bx2 s ARG 191 Ca 1.20 -0.87 -0.26 0.00 -0.13 0.00 0.00 55.73 55.67 1bx2 s ARG 191 Cb -0.87 -2.06 -0.00 0.00 -1.56 0.00 0.00 34.95 30.46 1bx2 s ARG 191 CO 0.42 0.40 0.88 0.45 -0.81 0.00 0.00 175.30 176.64 1bx2 s SER 192 N -0.23 6.92 0.00 -2.12 0.15 -1.26 -4.81 113.70 112.35 1bx2 s SER 192 Ca -0.01 1.15 0.02 0.00 0.70 0.00 0.00 55.95 57.81 1bx2 s SER 192 Cb -0.13 -2.47 0.02 0.00 -1.71 0.00 0.00 66.02 61.74 1bx2 s SER 192 CO 0.03 -0.53 0.57 -0.62 1.20 0.00 0.00 173.24 173.89