#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1n59 s PRO 2 N 0.00 0.21 0.17 1.61 0.04 -1.26 -3.95 135.00 131.82 1n59 s PRO 2 Ca 0.00 -0.08 -0.17 0.00 0.04 0.00 0.00 61.00 60.78 1n59 s PRO 2 Cb 0.00 -1.77 0.03 0.00 0.04 0.00 0.00 34.50 32.81 1n59 s PRO 2 CO 0.00 -2.75 0.49 -1.01 0.04 0.00 0.00 177.00 173.76 1n59 s HIS 3 N -3.42 -0.17 0.19 0.56 3.76 -0.97 -4.95 115.29 110.29 1n59 s HIS 3 Ca 0.70 -0.16 -0.09 0.00 -0.15 0.00 0.00 55.06 55.36 1n59 s HIS 3 Cb -0.09 0.35 -0.01 0.00 1.11 0.00 0.00 32.58 33.94 1n59 s HIS 3 CO 0.54 -0.84 0.32 -1.54 -0.85 0.00 0.00 174.74 172.36 1n59 s SER 4 N -2.84 0.02 -0.18 1.40 1.04 -1.26 0.20 113.70 112.07 1n59 s SER 4 Ca 0.07 -0.92 -0.00 0.00 0.48 0.00 0.00 55.95 55.57 1n59 s SER 4 Cb -0.00 0.46 0.04 0.00 0.10 0.00 0.00 66.02 66.63 1n59 s SER 4 CO -0.06 -0.94 -0.07 -0.22 0.98 0.00 0.00 173.24 172.92 1n59 s LEU 5 N -2.99 1.86 -0.04 2.42 2.96 -0.59 -2.55 118.68 119.73 1n59 s LEU 5 Ca 0.20 -0.75 0.07 0.00 -0.22 0.00 0.00 54.13 53.43 1n59 s LEU 5 Cb 0.03 -1.03 -0.01 0.00 0.50 0.00 0.00 46.19 45.67 1n59 s LEU 5 CO 0.03 -0.17 -0.25 -0.13 -1.32 0.00 0.00 176.35 174.51 1n59 s ARG 6 N 1.55 2.40 -0.19 1.98 0.52 -0.35 -2.02 118.95 122.84 1n59 s ARG 6 Ca -0.00 -0.91 -0.03 0.00 -0.52 0.00 0.00 55.73 54.27 1n59 s ARG 6 Cb -0.16 -2.12 -0.01 0.00 0.52 0.00 0.00 34.95 33.18 1n59 s ARG 6 CO -0.08 0.44 -0.08 0.71 0.02 0.00 0.00 175.30 176.32 1n59 s TYR 7 N -0.32 2.91 -0.37 -0.53 2.02 -0.11 -0.90 117.35 120.06 1n59 s TYR 7 Ca 0.01 -0.86 -0.12 0.00 -0.37 0.00 0.00 57.07 55.74 1n59 s TYR 7 Cb -0.12 -2.01 0.02 0.00 -0.40 0.00 0.00 41.96 39.44 1n59 s TYR 7 CO 0.02 -0.44 0.22 -0.06 -1.57 0.00 0.00 175.55 173.73 1n59 s PHE 8 N 1.08 3.23 -0.04 2.71 0.08 0.15 -3.08 117.98 122.11 1n59 s PHE 8 Ca 0.01 -0.79 0.04 0.00 0.12 0.00 0.00 56.93 56.31 1n59 s PHE 8 Cb -0.15 -2.46 -0.03 0.00 -0.57 0.00 0.00 43.02 39.82 1n59 s PHE 8 CO -0.01 -0.59 -0.16 0.14 -0.10 0.00 0.00 175.22 174.49 1n59 s VAL 9 N 1.60 2.91 0.00 -0.44 -7.23 -0.61 -1.25 120.40 115.39 1n59 s VAL 9 Ca 0.03 -0.81 0.01 0.00 -1.81 0.00 0.00 61.98 59.41 1n59 s VAL 9 Cb -0.19 -2.13 -0.01 0.00 0.56 0.00 0.00 36.38 34.62 1n59 s VAL 9 CO 0.08 0.57 -0.04 -0.89 -0.31 0.00 0.00 175.10 174.51 1n59 s THR 10 N -0.73 0.32 -0.03 5.32 2.01 -0.41 -1.99 115.64 120.12 1n59 s THR 10 Ca 0.12 -0.27 0.02 0.00 0.31 0.00 0.00 61.69 61.87 1n59 s THR 10 Cb -0.11 -0.29 0.01 0.00 0.01 0.00 0.00 72.50 72.12 1n59 s THR 10 CO 0.01 0.03 -0.09 0.00 -0.69 0.00 0.00 174.62 173.88 1n59 s ALA 11 N -0.24 0.87 -0.09 7.40 0.00 -0.49 -1.71 121.76 127.51 1n59 s ALA 11 Ca 0.00 -0.30 -0.02 0.00 0.00 0.00 0.00 51.96 51.64 1n59 s ALA 11 Cb -0.02 -0.36 0.04 0.00 0.00 0.00 0.00 23.12 22.78 1n59 s ALA 11 CO -0.00 0.12 0.05 0.14 0.00 0.00 0.00 175.76 176.06 1n59 s VAL 12 N 0.34 0.10 0.52 0.00 -7.23 -0.94 -1.49 120.40 111.70 1n59 s VAL 12 Ca -0.06 0.13 -0.20 0.00 -1.81 0.00 0.00 61.98 60.05 1n59 s VAL 12 Cb -0.10 -0.43 -0.07 0.00 0.56 0.00 0.00 36.38 36.34 1n59 s VAL 12 CO 0.01 0.08 1.08 -0.94 -0.31 0.00 0.00 175.10 175.02 1n59 s SER 13 N 2.08 6.01 -0.45 4.85 1.04 -0.85 -2.10 113.70 124.27 1n59 s SER 13 Ca 0.04 2.05 0.06 0.00 0.48 0.00 0.00 55.95 58.58 1n59 s SER 13 Cb -0.13 -2.57 0.20 0.00 0.10 0.00 0.00 66.02 63.62 1n59 s SER 13 CO -0.05 -1.02 0.58 -2.11 0.98 0.00 0.00 173.24 171.62 1n59 n ARG 14 N -1.18 0.50 -1.65 4.02 1.85 -1.26 -3.86 116.66 115.07 1n59 n ARG 14 Ca 0.10 -2.61 -0.46 0.00 -1.00 0.00 0.00 57.85 53.88 1n59 n ARG 14 Cb 0.52 -1.48 -0.03 0.00 -1.05 0.00 0.00 32.46 30.41 1n59 n ARG 14 CO 0.00 0.00 0.00 -2.30 -0.01 0.00 0.00 177.63 175.32 1n59 n PRO 15 N 2.35 1.82 0.00 2.89 -0.02 -1.26 -1.06 135.00 139.72 1n59 n PRO 15 Ca 0.21 0.65 0.00 0.00 -2.02 0.00 0.00 63.50 62.34 1n59 n PRO 15 Cb 0.54 -2.28 0.00 0.00 -0.02 0.00 0.00 33.50 31.74 1n59 n PRO 15 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1n59 n GLY 16 N 2.26 2.40 0.55 -1.23 0.00 -1.26 -4.82 105.19 103.10 1n59 n GLY 16 Ca 0.13 0.00 0.05 0.00 0.00 0.00 0.00 46.02 46.20 1n59 n GLY 16 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1n59 n LEU 17 N 0.00 2.65 0.00 0.99 4.77 -0.23 -5.10 117.00 120.08 1n59 n LEU 17 Ca 0.00 -1.80 0.00 0.00 -0.03 0.00 0.00 56.01 54.18 1n59 n LEU 17 Cb 0.00 -0.17 0.00 0.00 -2.33 0.00 0.00 43.42 40.92 1n59 n LEU 17 CO 0.00 0.64 0.00 0.61 -1.33 0.00 0.00 177.39 177.31 1n59 n GLY 18 N 0.46 -0.90 3.75 -0.72 0.00 -1.23 -5.03 105.19 101.51 1n59 n GLY 18 Ca 0.10 -2.16 -0.37 0.00 0.00 0.00 0.00 46.02 43.59 1n59 n GLY 18 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1n59 s GLU 19 N 0.00 2.93 1.01 1.61 0.41 -1.26 -4.48 118.70 118.92 1n59 s GLU 19 Ca 0.00 1.94 -0.16 0.00 -0.41 0.00 0.00 54.97 56.34 1n59 s GLU 19 Cb 0.00 -1.98 0.00 0.00 -1.78 0.00 0.00 34.13 30.37 1n59 s GLU 19 CO 0.00 -1.27 -0.07 -2.30 -0.49 0.00 0.00 175.26 171.14 1n59 n PRO 20 N -1.53 -0.56 -3.82 0.39 -0.02 -1.26 -4.80 135.00 123.40 1n59 n PRO 20 Ca 0.13 -0.14 -0.36 0.00 -2.02 0.00 0.00 63.50 61.11 1n59 n PRO 20 Cb 0.48 -1.60 -0.12 0.00 -0.02 0.00 0.00 33.50 32.25 1n59 n PRO 20 CO 0.00 0.00 0.00 0.50 1.98 0.00 0.00 175.50 177.98 1n59 s ARG 21 N -3.18 3.74 -0.05 -0.52 3.52 -0.89 -4.90 118.95 116.67 1n59 s ARG 21 Ca 0.52 -0.44 0.03 0.00 -0.13 0.00 0.00 55.73 55.71 1n59 s ARG 21 Cb -0.16 -3.31 -0.03 0.00 -1.56 0.00 0.00 34.95 29.89 1n59 s ARG 21 CO 0.70 -0.08 -0.14 -0.47 -0.81 0.00 0.00 175.30 174.50 1n59 s TYR 22 N 1.33 2.71 -0.00 5.12 5.04 -1.26 -2.22 117.35 128.06 1n59 s TYR 22 Ca 0.05 -0.19 -0.10 0.00 -2.44 0.00 0.00 57.07 54.39 1n59 s TYR 22 Cb -0.15 -1.64 0.01 0.00 0.35 0.00 0.00 41.96 40.53 1n59 s TYR 22 CO 0.04 0.16 0.20 1.41 -1.34 0.00 0.00 175.55 176.02 1n59 s MET 23 N -0.66 0.55 -0.01 4.97 1.75 -0.70 0.04 119.30 125.25 1n59 s MET 23 Ca 0.10 -0.32 0.01 0.00 -1.25 0.00 0.00 55.69 54.23 1n59 s MET 23 Cb -0.11 0.24 0.01 0.00 2.84 0.00 0.00 34.83 37.80 1n59 s MET 23 CO 0.01 -0.14 -0.01 -1.21 -0.65 0.00 0.00 175.02 173.01 1n59 s GLU 24 N -1.36 0.17 -0.03 4.11 2.02 0.23 -1.29 118.70 122.56 1n59 s GLU 24 Ca -0.14 -0.03 -0.01 0.00 0.02 0.00 0.00 54.97 54.81 1n59 s GLU 24 Cb -0.07 -0.22 0.03 0.00 0.10 0.00 0.00 34.13 33.97 1n59 s GLU 24 CO 0.03 -0.00 0.05 0.08 0.02 0.00 0.00 175.26 175.44 1n59 s VAL 25 N 0.21 -0.05 0.13 2.63 1.01 -0.38 -0.12 120.40 123.83 1n59 s VAL 25 Ca -0.02 0.18 0.10 0.00 0.00 0.00 0.00 61.98 62.25 1n59 s VAL 25 Cb -0.04 -0.11 -0.04 0.00 0.00 0.00 0.00 36.38 36.20 1n59 s VAL 25 CO -0.01 0.07 -0.25 -0.83 0.00 0.00 0.00 175.10 174.09 1n59 s GLY 26 N 0.95 1.52 0.02 4.51 0.00 0.14 0.31 107.32 114.76 1n59 s GLY 26 Ca -0.08 -1.44 0.01 0.00 0.00 0.00 0.00 44.72 43.21 1n59 s GLY 26 CO -0.03 -1.43 -0.05 -0.19 0.00 0.00 0.00 173.10 171.40 1n59 s TYR 27 N -1.17 0.40 -0.41 1.90 1.51 -0.08 -1.40 117.35 118.10 1n59 s TYR 27 Ca 0.13 -0.29 0.00 0.00 -1.01 0.00 0.00 57.07 55.90 1n59 s TYR 27 Cb -0.10 -0.25 0.11 0.00 -0.11 0.00 0.00 41.96 41.62 1n59 s TYR 27 CO 0.06 -0.07 0.17 0.08 -1.11 0.00 0.00 175.55 174.68 1n59 s VAL 28 N -0.77 2.87 -0.65 0.71 1.01 -1.08 -1.22 120.40 121.27 1n59 s VAL 28 Ca -0.06 -2.35 -0.07 0.00 0.00 0.00 0.00 61.98 59.50 1n59 s VAL 28 Cb -0.06 -3.01 0.01 0.00 0.00 0.00 0.00 36.38 33.32 1n59 s VAL 28 CO -0.00 -0.68 0.66 0.47 0.00 0.00 0.00 175.10 175.54 1n59 n ASP 29 N 4.25 -7.18 0.00 3.32 8.00 -1.06 -3.18 116.55 120.69 1n59 n ASP 29 Ca 0.02 -0.06 0.00 0.00 0.71 0.00 0.00 54.79 55.45 1n59 n ASP 29 Cb 0.41 -4.45 0.00 0.00 -0.02 0.00 0.00 41.12 37.05 1n59 n ASP 29 CO 0.00 0.00 0.00 0.47 -0.39 0.00 0.00 177.20 177.28 1n59 n ASP 30 N -1.39 0.00 -4.10 -2.24 8.00 -1.26 -4.95 116.55 110.61 1n59 n ASP 30 Ca -0.03 0.00 -0.31 0.00 0.71 0.00 0.00 54.79 55.16 1n59 n ASP 30 Cb 0.54 -0.37 -0.16 0.00 -0.02 0.00 0.00 41.12 41.10 1n59 n ASP 30 CO 0.00 0.00 0.00 0.42 -0.39 0.00 0.00 177.20 177.23 1n59 s THR 31 N -2.62 1.84 0.21 -3.53 -4.23 -1.19 -5.00 115.64 101.11 1n59 s THR 31 Ca 0.00 -0.82 -0.31 0.00 -1.18 0.00 0.00 61.69 59.38 1n59 s THR 31 Cb 0.00 -1.66 -0.11 0.00 1.34 0.00 0.00 72.50 72.07 1n59 s THR 31 CO 0.00 0.51 1.59 -0.70 -0.54 0.00 0.00 174.62 175.48 1n59 s GLU 32 N 1.14 4.19 0.00 3.99 2.12 -1.26 -2.62 118.70 126.25 1n59 s GLU 32 Ca -0.01 2.44 0.00 0.00 0.36 0.00 0.00 54.97 57.77 1n59 s GLU 32 Cb -0.14 -3.11 0.00 0.00 0.26 0.00 0.00 34.13 31.14 1n59 s GLU 32 CO -0.07 -0.62 0.00 1.97 -0.54 0.00 0.00 175.26 176.00 1n59 n PHE 33 N 3.46 0.00 -3.71 5.30 -1.74 -0.50 -4.40 117.46 115.88 1n59 n PHE 33 Ca 0.12 0.00 -0.12 0.00 -0.56 0.00 0.00 57.45 56.89 1n59 n PHE 33 Cb 0.38 0.00 -0.07 0.00 1.52 0.00 0.00 39.48 41.31 1n59 n PHE 33 CO 0.00 0.00 0.00 0.14 -0.56 0.00 0.00 176.76 176.34 1n59 s VAL 34 N -0.91 0.07 0.06 1.97 -7.23 -1.19 -0.76 120.40 112.40 1n59 s VAL 34 Ca 0.00 -0.56 -0.26 0.00 -1.81 0.00 0.00 61.98 59.35 1n59 s VAL 34 Cb 0.00 -0.93 0.09 0.00 0.56 0.00 0.00 36.38 36.10 1n59 s VAL 34 CO 0.00 -0.31 0.76 0.00 -0.31 0.00 0.00 175.10 175.24 1n59 s ARG 35 N -2.44 1.02 -0.08 4.82 1.70 -0.78 0.26 118.95 123.46 1n59 s ARG 35 Ca -0.06 -0.32 -0.05 0.00 -0.47 0.00 0.00 55.73 54.83 1n59 s ARG 35 Cb -0.01 0.47 0.03 0.00 -0.57 0.00 0.00 34.95 34.87 1n59 s ARG 35 CO -0.02 -0.44 0.19 0.12 -1.08 0.00 0.00 175.30 174.07 1n59 s PHE 36 N -3.19 -0.22 -0.10 5.89 5.36 0.82 -1.79 117.98 124.75 1n59 s PHE 36 Ca 0.02 0.55 -0.02 0.00 -0.96 0.00 0.00 56.93 56.52 1n59 s PHE 36 Cb -0.01 0.03 0.04 0.00 -0.34 0.00 0.00 43.02 42.74 1n59 s PHE 36 CO -0.09 -0.14 0.03 0.34 -1.46 0.00 0.00 175.22 173.90 1n59 s ASP 37 N 0.57 1.84 0.03 6.13 -1.08 -1.26 0.77 116.67 123.68 1n59 s ASP 37 Ca -0.04 -0.25 0.02 0.00 -0.52 0.00 0.00 52.55 51.76 1n59 s ASP 37 Cb -0.05 -0.39 0.11 0.00 -1.46 0.00 0.00 42.92 41.12 1n59 s ASP 37 CO -0.03 -0.24 1.05 -1.54 0.52 0.00 0.00 175.17 174.93 1n59 n SER 38 N 5.17 0.05 -1.24 -0.34 3.41 0.11 -1.22 113.62 119.56 1n59 n SER 38 Ca -0.07 0.52 0.12 0.00 -0.26 0.00 0.00 58.87 59.18 1n59 n SER 38 Cb 0.49 -0.52 0.28 0.00 -0.26 0.00 0.00 64.21 64.20 1n59 n SER 38 CO 0.00 0.00 0.00 0.47 -0.16 0.00 0.00 175.04 175.35 1n59 n ASP 39 N -1.56 3.64 -3.61 4.04 9.92 -1.26 -4.82 116.55 122.90 1n59 n ASP 39 Ca -0.00 -1.99 -0.30 0.00 -0.53 0.00 0.00 54.79 51.96 1n59 n ASP 39 Cb 0.01 -0.37 0.25 0.00 -0.64 0.00 0.00 41.12 40.37 1n59 n ASP 39 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 1n59 s ALA 40 N -1.25 0.45 -0.02 2.24 0.00 -0.35 -4.95 121.76 117.87 1n59 s ALA 40 Ca 0.44 -1.05 -0.20 0.00 0.00 0.00 0.00 51.96 51.15 1n59 s ALA 40 Cb 0.24 -2.85 -0.13 0.00 0.00 0.00 0.00 23.12 20.39 1n59 s ALA 40 CO 0.32 -3.81 0.88 0.93 0.00 0.00 0.00 175.76 174.09 1n59 h GLU 41 N -2.78 -0.52 -4.41 0.00 5.08 -1.92 -3.39 114.58 106.65 1n59 h GLU 41 Ca -0.43 0.04 -0.71 0.00 -1.00 0.00 0.00 59.36 57.26 1n59 h GLU 41 Cb 1.29 0.12 -0.30 0.00 0.50 0.00 0.00 28.75 30.35 1n59 h GLU 41 CO 0.29 -0.24 -0.47 1.21 -1.00 0.00 0.00 179.01 178.81 1n59 s ASN 42 N -4.98 5.54 -0.41 1.42 3.04 -1.26 -5.04 114.94 113.25 1n59 s ASN 42 Ca -0.11 -1.79 -0.27 0.00 0.04 0.00 0.00 52.86 50.72 1n59 s ASN 42 Cb 0.01 -1.95 -0.04 0.00 -1.54 0.00 0.00 41.25 37.73 1n59 s ASN 42 CO 0.38 -0.59 2.11 -2.84 -3.04 0.00 0.00 177.10 173.12 1n59 s PRO 43 N 1.32 2.74 -0.00 0.43 0.02 -1.26 -4.92 135.00 133.33 1n59 s PRO 43 Ca 0.05 1.41 0.00 0.00 0.02 0.00 0.00 61.00 62.48 1n59 s PRO 43 Cb -0.24 -4.40 0.00 0.00 0.02 0.00 0.00 34.50 29.87 1n59 s PRO 43 CO -0.01 -2.56 -0.00 -0.98 -0.33 0.00 0.00 177.00 173.12 1n59 s ARG 44 N 6.95 0.03 0.41 5.54 1.70 -1.26 -5.06 118.95 127.27 1n59 s ARG 44 Ca 0.88 -0.01 -0.27 0.00 -0.47 0.00 0.00 55.73 55.86 1n59 s ARG 44 Cb -0.21 -0.04 -0.09 0.00 -0.57 0.00 0.00 34.95 34.04 1n59 s ARG 44 CO 0.29 0.01 1.43 -0.47 -1.08 0.00 0.00 175.30 175.48 1n59 s TYR 45 N 0.01 2.57 0.09 5.89 5.04 -1.26 -4.75 117.35 124.93 1n59 s TYR 45 Ca -0.00 1.25 -0.08 0.00 -2.44 0.00 0.00 57.07 55.80 1n59 s TYR 45 Cb -0.00 -3.92 -0.01 0.00 0.35 0.00 0.00 41.96 38.38 1n59 s TYR 45 CO -0.00 -2.82 0.17 -1.83 -1.34 0.00 0.00 175.55 169.72 1n59 s GLU 46 N -2.26 0.82 0.54 4.97 -1.05 -0.74 -4.89 118.70 116.09 1n59 s GLU 46 Ca 0.57 -0.99 -0.17 0.00 -0.15 0.00 0.00 54.97 54.23 1n59 s GLU 46 Cb -0.44 0.33 -0.06 0.00 -0.44 0.00 0.00 34.13 33.52 1n59 s GLU 46 CO 0.58 -0.25 1.02 -1.25 0.95 0.00 0.00 175.26 176.31 1n59 s PRO 47 N -3.87 3.67 -0.04 -4.83 0.04 -1.26 -1.87 135.00 126.85 1n59 s PRO 47 Ca 0.05 1.12 0.05 0.00 0.04 0.00 0.00 61.00 62.26 1n59 s PRO 47 Cb 0.05 -2.09 0.08 0.00 0.04 0.00 0.00 34.50 32.58 1n59 s PRO 47 CO -0.11 -0.51 0.93 0.54 0.04 0.00 0.00 177.00 177.89 1n59 n ARG 48 N -1.66 0.98 -3.67 4.56 5.12 0.06 -4.86 116.66 117.19 1n59 n ARG 48 Ca 0.08 -1.42 -0.15 0.00 -1.93 0.00 0.00 57.85 54.43 1n59 n ARG 48 Cb 0.53 -0.88 -0.08 0.00 -1.16 0.00 0.00 32.46 30.87 1n59 n ARG 48 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70 1n59 s ALA 49 N -0.99 -1.30 0.07 7.54 0.00 -1.25 -4.55 121.76 121.27 1n59 s ALA 49 Ca 0.09 1.19 -0.27 0.00 0.00 0.00 0.00 51.96 52.96 1n59 s ALA 49 Cb 0.08 -0.45 -0.17 0.00 0.00 0.00 0.00 23.12 22.58 1n59 s ALA 49 CO 0.01 -0.28 1.63 0.00 0.00 0.00 0.00 175.76 177.12 1n59 h ARG 50 N 4.43 -0.39 -0.40 0.00 3.08 -1.96 -2.07 114.38 117.07 1n59 h ARG 50 Ca -0.28 0.03 0.11 0.00 0.07 0.00 0.00 59.98 59.91 1n59 h ARG 50 Cb 1.17 0.09 -0.02 0.00 0.08 0.00 0.00 29.97 31.29 1n59 h ARG 50 CO 0.27 -0.23 0.89 0.11 -1.07 0.00 0.00 179.97 179.95 1n59 h TRP 51 N -0.46 0.00 -0.01 3.04 5.08 -1.97 1.30 115.95 122.94 1n59 h TRP 51 Ca -0.04 0.00 0.00 0.00 1.08 0.00 0.00 58.89 59.93 1n59 h TRP 51 Cb 0.35 0.00 0.00 0.00 -3.00 0.00 0.00 29.16 26.51 1n59 h TRP 51 CO -0.04 0.00 0.00 -1.33 -1.28 0.00 0.00 178.44 175.79 1n59 n MET 52 N -2.96 1.10 0.00 0.12 2.81 -0.78 -2.46 117.12 114.95 1n59 n MET 52 Ca 0.08 -0.14 0.13 0.00 -1.81 0.00 0.00 57.70 55.96 1n59 n MET 52 Cb 1.03 -1.43 0.44 0.00 -0.71 0.00 0.00 33.22 32.55 1n59 n MET 52 CO 0.00 0.00 0.00 0.39 1.51 0.00 0.00 175.97 177.87 1n59 n GLU 53 N -0.77 0.11 0.00 0.03 1.02 0.45 -3.50 120.64 117.99 1n59 n GLU 53 Ca 0.20 -0.04 0.00 0.00 -0.02 0.00 0.00 57.16 57.30 1n59 n GLU 53 Cb 0.13 -1.50 0.01 0.00 -0.02 0.00 0.00 31.44 30.06 1n59 n GLU 53 CO 0.00 0.00 0.00 1.04 1.18 0.00 0.00 177.13 179.35 1n59 n GLN 54 N -1.40 0.64 -4.42 3.49 6.02 -1.03 -4.80 117.38 115.88 1n59 n GLN 54 Ca 0.07 0.00 -0.34 0.00 -0.01 0.00 0.00 57.00 56.73 1n59 n GLN 54 Cb 0.33 -1.01 -0.11 0.00 1.02 0.00 0.00 30.24 30.47 1n59 n GLN 54 CO 0.00 0.00 0.00 -1.21 -1.01 0.00 0.00 177.06 174.84 1n59 s GLU 55 N -2.00 3.44 0.93 -1.09 0.41 -1.23 -5.09 118.70 114.07 1n59 s GLU 55 Ca 0.00 -0.50 -0.10 0.00 -0.41 0.00 0.00 54.97 53.96 1n59 s GLU 55 Cb 0.00 -2.85 0.14 0.00 -1.78 0.00 0.00 34.13 29.64 1n59 s GLU 55 CO 0.00 0.38 1.05 0.41 -0.49 0.00 0.00 175.26 176.61 1n59 n GLY 56 N 3.12 -0.65 0.33 -1.39 0.00 -1.26 -4.83 105.19 100.51 1n59 n GLY 56 Ca -0.18 -0.74 0.19 0.00 0.00 0.00 0.00 46.02 45.29 1n59 n GLY 56 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 1n59 h PRO 57 N -1.90 0.00 0.59 1.61 0.11 -1.98 -2.29 132.00 128.14 1n59 h PRO 57 Ca -0.44 0.00 -0.03 0.00 0.11 0.00 0.00 66.00 65.64 1n59 h PRO 57 Cb 1.27 0.00 0.01 0.00 0.11 0.00 0.00 31.00 32.39 1n59 h PRO 57 CO 0.40 0.00 -0.28 1.49 -0.21 0.00 0.00 178.00 179.40 1n59 h GLU 58 N 0.00 -0.77 -0.88 1.05 4.81 -2.01 -3.13 114.58 113.65 1n59 h GLU 58 Ca 0.03 0.05 0.20 0.00 -0.13 0.00 0.00 59.36 59.51 1n59 h GLU 58 Cb 0.27 0.17 -0.16 0.00 0.63 0.00 0.00 28.75 29.66 1n59 h GLU 58 CO -0.00 -0.47 -0.12 -0.92 -0.73 0.00 0.00 179.01 176.78 1n59 h TYR 59 N -1.12 -0.28 0.00 0.92 5.03 -1.75 0.88 116.97 120.65 1n59 h TYR 59 Ca -0.08 0.07 0.00 0.00 2.58 0.00 0.00 58.73 61.30 1n59 h TYR 59 Cb 0.66 0.27 0.00 0.00 1.55 0.00 0.00 36.73 39.20 1n59 h TYR 59 CO 0.01 -0.36 0.00 0.91 -1.32 0.00 0.00 178.16 177.39 1n59 n TRP 60 N -5.50 0.27 -0.07 -3.82 7.02 -1.22 -1.87 117.44 112.25 1n59 n TRP 60 Ca 0.16 0.12 -0.18 0.00 -1.02 0.00 0.00 57.50 56.57 1n59 n TRP 60 Cb 0.52 -0.69 -0.13 0.00 -2.42 0.00 0.00 31.31 28.60 1n59 n TRP 60 CO 0.00 0.00 0.00 -1.91 -2.02 0.00 0.00 177.69 173.76 1n59 n GLU 61 N -1.75 0.69 -0.12 -0.99 4.07 0.30 -2.78 120.64 120.06 1n59 n GLU 61 Ca 0.02 0.19 -0.04 0.00 -0.06 0.00 0.00 57.16 57.27 1n59 n GLU 61 Cb 0.13 -1.60 0.17 0.00 -0.06 0.00 0.00 31.44 30.08 1n59 n GLU 61 CO 0.00 0.00 0.00 0.00 -0.06 0.00 0.00 177.13 177.07 1n59 h ARG 62 N 0.03 0.82 0.11 5.31 3.08 -1.02 -0.56 114.38 122.14 1n59 h ARG 62 Ca -0.51 -0.19 -0.01 0.00 0.07 0.00 0.00 59.98 59.35 1n59 h ARG 62 Cb 1.98 -0.11 0.00 0.00 0.08 0.00 0.00 29.97 31.92 1n59 h ARG 62 CO -0.01 0.78 -0.05 0.93 -1.07 0.00 0.00 179.97 180.55 1n59 h GLU 63 N 0.78 -0.14 -0.85 0.04 4.39 -1.52 -0.56 114.58 116.72 1n59 h GLU 63 Ca 0.16 0.01 0.25 0.00 0.34 0.00 0.00 59.36 60.12 1n59 h GLU 63 Cb 0.36 0.03 -0.03 0.00 -0.10 0.00 0.00 28.75 29.01 1n59 h GLU 63 CO 0.01 0.35 0.62 1.15 -1.16 0.00 0.00 179.01 179.98 1n59 h THR 64 N -0.75 0.56 0.00 1.13 2.02 -1.40 0.11 112.91 114.59 1n59 h THR 64 Ca -0.01 0.00 -0.08 0.00 0.77 0.00 0.00 66.41 67.09 1n59 h THR 64 Cb 0.55 0.57 -0.01 0.00 -1.74 0.00 0.00 68.15 67.52 1n59 h THR 64 CO 0.02 0.00 -0.44 1.56 0.37 0.00 0.00 175.52 177.03 1n59 h GLN 65 N 0.00 0.00 0.00 6.66 1.08 -0.97 -2.79 115.11 119.09 1n59 h GLN 65 Ca 0.40 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.60 1n59 h GLN 65 Cb 1.63 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 29.06 1n59 h GLN 65 CO -0.00 0.87 0.00 0.36 -0.95 0.00 0.00 178.83 179.11 1n59 n LYS 66 N -4.57 0.03 -0.05 1.46 2.85 -0.23 0.12 118.16 117.77 1n59 n LYS 66 Ca -0.16 0.34 -0.18 0.00 -1.05 0.00 0.00 58.31 57.25 1n59 n LYS 66 Cb 0.50 -1.50 -0.13 0.00 -0.65 0.00 0.00 35.03 33.25 1n59 n LYS 66 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 177.40 177.35 1n59 h ALA 67 N 2.14 0.09 0.00 0.58 0.00 -0.83 -2.65 119.26 118.59 1n59 h ALA 67 Ca 0.00 -0.82 -0.03 0.00 0.00 0.00 0.00 54.91 54.07 1n59 h ALA 67 Cb 0.04 0.29 -0.00 0.00 0.00 0.00 0.00 17.79 18.12 1n59 h ALA 67 CO 0.00 0.38 -0.13 0.87 0.00 0.00 0.00 179.25 180.37 1n59 h LYS 68 N -0.79 0.00 0.12 0.00 1.57 -0.03 0.54 116.57 117.97 1n59 h LYS 68 Ca -0.16 0.00 -0.01 0.00 -1.87 0.00 0.00 60.65 58.61 1n59 h LYS 68 Cb 1.30 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.61 1n59 h LYS 68 CO -0.02 0.13 -0.06 0.78 -0.57 0.00 0.00 179.45 179.70 1n59 h GLY 69 N 1.08 -0.17 0.90 3.86 0.00 -0.84 -2.92 103.07 104.98 1n59 h GLY 69 Ca -0.00 0.06 0.07 0.00 0.00 0.00 0.00 47.33 47.46 1n59 h GLY 69 CO 0.02 -0.06 0.55 3.43 0.00 0.00 0.00 176.54 180.47 1n59 h ASN 70 N -0.61 0.80 -0.51 0.19 2.35 -0.81 -1.20 115.58 115.79 1n59 h ASN 70 Ca -0.02 0.01 0.09 0.00 -0.55 0.00 0.00 56.30 55.84 1n59 h ASN 70 Cb 0.48 -0.16 -0.08 0.00 0.05 0.00 0.00 38.32 38.61 1n59 h ASN 70 CO 0.03 0.51 0.05 -0.08 -1.65 0.00 0.00 177.43 176.29 1n59 h GLU 71 N 0.91 0.17 -0.65 0.81 4.81 -0.88 0.26 114.58 120.01 1n59 h GLU 71 Ca 0.36 -0.01 -0.08 0.00 -0.13 0.00 0.00 59.36 59.51 1n59 h GLU 71 Cb 0.25 -0.04 -0.03 0.00 0.63 0.00 0.00 28.75 29.57 1n59 h GLU 71 CO -0.13 0.11 0.11 1.96 -0.73 0.00 0.00 179.01 180.33 1n59 h GLN 72 N 0.18 1.07 -0.26 1.92 1.08 -1.05 -0.60 115.11 117.45 1n59 h GLN 72 Ca 0.26 -0.29 -0.00 0.00 -1.45 0.00 0.00 58.65 57.17 1n59 h GLN 72 Cb 0.38 -0.13 -0.01 0.00 -0.05 0.00 0.00 27.48 27.67 1n59 h GLN 72 CO -0.38 0.99 0.16 1.03 -0.95 0.00 0.00 178.83 179.68 1n59 h SER 73 N 0.99 0.31 0.78 1.46 0.87 -0.41 0.16 113.55 117.71 1n59 h SER 73 Ca 0.20 -0.05 -0.07 0.00 -1.23 0.00 0.00 61.79 60.64 1n59 h SER 73 Cb 0.44 -0.08 -0.01 0.00 -0.44 0.00 0.00 62.40 62.31 1n59 h SER 73 CO 0.01 0.26 -0.34 -0.26 -0.53 0.00 0.00 176.83 175.98 1n59 h PHE 74 N 0.33 0.00 -0.26 2.24 0.04 -0.49 -0.05 116.94 118.75 1n59 h PHE 74 Ca 0.09 0.00 -0.11 0.00 2.80 0.00 0.00 57.97 60.75 1n59 h PHE 74 Cb 0.01 0.00 -0.01 0.00 2.20 0.00 0.00 35.95 38.15 1n59 h PHE 74 CO -0.05 0.34 -0.32 -0.09 -0.60 0.00 0.00 178.31 177.59 1n59 h ARG 75 N 0.00 0.54 -0.13 1.51 2.43 0.21 0.32 114.38 119.26 1n59 h ARG 75 Ca -0.00 -0.24 -0.22 0.00 -0.81 0.00 0.00 59.98 58.71 1n59 h ARG 75 Cb 0.82 -0.01 0.01 0.00 -0.42 0.00 0.00 29.97 30.36 1n59 h ARG 75 CO 0.04 0.80 -0.78 0.28 -1.51 0.00 0.00 179.97 178.80 1n59 h VAL 76 N 0.46 1.30 -0.45 0.20 2.07 -0.06 -3.25 116.25 116.53 1n59 h VAL 76 Ca 0.06 -2.02 0.09 0.00 0.82 0.00 0.00 66.70 65.64 1n59 h VAL 76 Cb 0.78 2.03 -0.09 0.00 -1.52 0.00 0.00 31.29 32.49 1n59 h VAL 76 CO 0.06 0.63 -0.20 0.44 0.02 0.00 0.00 177.57 178.53 1n59 h ASP 77 N 0.48 -0.69 -0.94 0.57 3.32 -0.16 -0.68 116.42 118.32 1n59 h ASP 77 Ca -0.05 0.16 0.13 0.00 0.02 0.00 0.00 57.03 57.30 1n59 h ASP 77 Cb 1.40 0.38 -0.08 0.00 0.22 0.00 0.00 39.33 41.25 1n59 h ASP 77 CO 0.16 -0.23 0.60 -0.07 -1.72 0.00 0.00 179.24 177.97 1n59 h LEU 78 N -0.11 0.77 -0.37 1.55 3.38 -1.00 0.34 115.31 119.87 1n59 h LEU 78 Ca 0.21 0.04 -0.18 0.00 0.09 0.00 0.00 57.88 58.05 1n59 h LEU 78 Cb 0.44 -0.11 -0.02 0.00 0.09 0.00 0.00 40.66 41.06 1n59 h LEU 78 CO -0.52 0.40 -0.82 -0.09 0.09 0.00 0.00 178.44 177.50 1n59 h ARG 79 N 0.82 0.09 0.02 1.13 1.12 -1.43 -2.97 114.38 113.17 1n59 h ARG 79 Ca 0.47 -0.10 -0.00 0.00 -1.11 0.00 0.00 59.98 59.24 1n59 h ARG 79 Cb 0.62 0.03 0.00 0.00 -0.01 0.00 0.00 29.97 30.61 1n59 h ARG 79 CO -0.23 0.86 -0.01 1.15 -3.11 0.00 0.00 179.97 178.63 1n59 h THR 80 N 0.05 1.29 -0.02 0.20 2.02 0.92 -2.59 112.91 114.79 1n59 h THR 80 Ca -0.02 -1.00 0.01 0.00 0.77 0.00 0.00 66.41 66.16 1n59 h THR 80 Cb 1.43 1.96 -0.00 0.00 -1.74 0.00 0.00 68.15 69.81 1n59 h THR 80 CO 0.12 0.25 0.09 -0.07 0.37 0.00 0.00 175.52 176.28 1n59 h LEU 81 N -0.47 0.00 -1.05 2.58 4.07 -0.54 0.53 115.31 120.43 1n59 h LEU 81 Ca -0.00 0.00 -0.10 0.00 0.08 0.00 0.00 57.88 57.86 1n59 h LEU 81 Cb 0.44 0.00 -0.01 0.00 1.08 0.00 0.00 40.66 42.17 1n59 h LEU 81 CO 0.01 0.00 -0.47 -0.07 -1.08 0.00 0.00 178.44 176.83 1n59 h LEU 82 N 0.00 0.00 0.14 1.67 3.38 -1.29 -2.23 115.31 116.98 1n59 h LEU 82 Ca 0.01 0.00 -0.29 0.00 0.09 0.00 0.00 57.88 57.68 1n59 h LEU 82 Cb 0.19 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.94 1n59 h LEU 82 CO -0.00 0.47 -1.39 1.23 0.09 0.00 0.00 178.44 178.84 1n59 h GLY 83 N 1.45 0.34 0.89 0.83 0.00 -0.91 -1.80 103.07 103.87 1n59 h GLY 83 Ca -0.00 -0.86 0.02 0.00 0.00 0.00 0.00 47.33 46.48 1n59 h GLY 83 CO 0.06 0.76 0.36 -0.97 0.00 0.00 0.00 176.54 176.75 1n59 h TYR 84 N 0.08 0.67 -0.64 5.60 0.05 -1.19 -2.78 116.97 118.77 1n59 h TYR 84 Ca -0.19 0.02 0.00 0.00 0.05 0.00 0.00 58.73 58.61 1n59 h TYR 84 Cb 2.01 -0.22 0.00 0.00 1.01 0.00 0.00 36.73 39.53 1n59 h TYR 84 CO 0.07 0.39 0.00 0.66 -1.05 0.00 0.00 178.16 178.23 1n59 n TYR 85 N -4.74 0.85 -4.03 4.88 4.01 -0.86 -4.90 117.16 112.37 1n59 n TYR 85 Ca 0.05 -0.43 -0.30 0.00 -0.16 0.00 0.00 57.90 57.07 1n59 n TYR 85 Cb 0.07 0.00 -0.01 0.00 -0.31 0.00 0.00 39.34 39.09 1n59 n TYR 85 CO 0.00 0.00 0.00 0.09 -0.46 0.00 0.00 176.86 176.49 1n59 n ASN 86 N 1.40 -2.07 -4.91 7.72 5.03 -0.93 -4.92 115.26 116.58 1n59 n ASN 86 Ca 0.22 -0.96 -0.29 0.00 0.87 0.00 0.00 54.58 54.42 1n59 n ASN 86 Cb 0.55 -3.14 -0.04 0.00 -1.02 0.00 0.00 39.78 36.13 1n59 n ASN 86 CO 0.00 0.00 0.00 -1.10 -1.83 0.00 0.00 177.26 174.33 1n59 s GLN 87 N -6.66 3.57 0.42 3.52 -0.21 -0.72 -5.05 119.66 114.53 1n59 s GLN 87 Ca 0.36 -0.20 -0.26 0.00 0.02 0.00 0.00 55.36 55.28 1n59 s GLN 87 Cb -0.19 -2.80 -0.09 0.00 1.00 0.00 0.00 33.01 30.94 1n59 s GLN 87 CO 0.89 0.37 1.35 0.45 -2.12 0.00 0.00 175.29 176.23 1n59 s SER 88 N -2.99 6.16 0.09 5.90 0.15 -1.26 -4.83 113.70 116.91 1n59 s SER 88 Ca 0.40 2.75 0.18 0.00 0.70 0.00 0.00 55.95 59.99 1n59 s SER 88 Cb -0.11 -2.64 0.75 0.00 -1.71 0.00 0.00 66.02 62.30 1n59 s SER 88 CO 0.28 -0.96 1.56 0.29 1.20 0.00 0.00 173.24 175.60 1n59 n LYS 89 N 0.02 0.07 0.12 5.44 4.76 -1.26 -3.37 118.16 123.94 1n59 n LYS 89 Ca 0.04 0.31 0.05 0.00 -2.87 0.00 0.00 58.31 55.84 1n59 n LYS 89 Cb 0.43 -1.63 0.02 0.00 -1.84 0.00 0.00 35.03 32.01 1n59 n LYS 89 CO 0.00 0.00 0.00 0.78 -1.37 0.00 0.00 177.40 176.81 1n59 h GLY 90 N 2.45 0.00 -1.96 0.72 0.00 -2.01 -3.47 103.07 98.80 1n59 h GLY 90 Ca 0.00 0.00 -0.45 0.00 0.00 0.00 0.00 47.33 46.88 1n59 h GLY 90 CO 0.00 0.00 0.35 -0.32 0.00 0.00 0.00 176.54 176.57 1n59 s GLY 91 N -4.49 2.29 0.00 4.60 0.00 -1.22 -4.69 107.32 103.82 1n59 s GLY 91 Ca 0.02 0.35 -0.18 0.00 0.00 0.00 0.00 44.72 44.91 1n59 s GLY 91 CO 0.76 0.63 0.51 -0.45 0.00 0.00 0.00 173.10 174.55 1n59 s SER 92 N -2.45 6.91 0.09 1.64 0.15 -1.26 -4.78 113.70 114.00 1n59 s SER 92 Ca 0.61 1.08 -0.00 0.00 0.70 0.00 0.00 55.95 58.34 1n59 s SER 92 Cb -0.10 -2.32 -0.04 0.00 -1.71 0.00 0.00 66.02 61.85 1n59 s SER 92 CO 0.19 0.21 -0.00 -1.00 1.20 0.00 0.00 173.24 173.84 1n59 s HIS 93 N -0.60 0.73 0.05 3.44 4.02 -1.25 -4.96 115.29 116.71 1n59 s HIS 93 Ca 0.27 -1.10 0.06 0.00 1.02 0.00 0.00 55.06 55.31 1n59 s HIS 93 Cb -0.18 -0.46 -0.03 0.00 -1.02 0.00 0.00 32.58 30.90 1n59 s HIS 93 CO 0.15 -0.39 -0.16 0.99 1.02 0.00 0.00 174.74 176.35 1n59 s THR 94 N -3.91 1.31 -0.12 1.30 2.01 -1.26 -2.02 115.64 112.95 1n59 s THR 94 Ca 0.14 -1.17 0.01 0.00 0.31 0.00 0.00 61.69 60.98 1n59 s THR 94 Cb 0.07 -1.19 0.02 0.00 0.01 0.00 0.00 72.50 71.41 1n59 s THR 94 CO -0.04 -0.01 -0.14 -0.63 -0.69 0.00 0.00 174.62 173.11 1n59 s ILE 95 N -0.96 1.48 0.16 1.82 1.01 -0.55 0.19 121.20 124.35 1n59 s ILE 95 Ca 0.03 -0.61 0.10 0.00 0.00 0.00 0.00 60.65 60.18 1n59 s ILE 95 Cb -0.09 -1.38 -0.04 0.00 0.01 0.00 0.00 42.46 40.96 1n59 s ILE 95 CO 0.02 0.44 -0.21 -1.10 0.00 0.00 0.00 174.94 174.09 1n59 s GLN 96 N 1.24 1.62 -0.08 2.79 -0.21 -1.19 -1.39 119.66 122.44 1n59 s GLN 96 Ca -0.01 -1.38 -0.21 0.00 0.02 0.00 0.00 55.36 53.77 1n59 s GLN 96 Cb -0.14 -1.95 0.05 0.00 1.00 0.00 0.00 33.01 31.96 1n59 s GLN 96 CO -0.06 0.43 0.49 0.08 -2.12 0.00 0.00 175.29 174.12 1n59 s VAL 97 N -1.43 0.02 -0.04 1.09 1.01 -0.84 -1.14 120.40 119.07 1n59 s VAL 97 Ca 0.19 -0.18 -0.02 0.00 0.00 0.00 0.00 61.98 61.97 1n59 s VAL 97 Cb -0.09 -0.77 0.03 0.00 0.00 0.00 0.00 36.38 35.55 1n59 s VAL 97 CO 0.10 -0.10 0.06 -0.51 0.00 0.00 0.00 175.10 174.64 1n59 s ILE 98 N -0.83 -0.09 0.09 2.22 2.07 -0.77 -1.57 121.20 122.32 1n59 s ILE 98 Ca -0.09 0.40 0.04 0.00 -1.41 0.00 0.00 60.65 59.59 1n59 s ILE 98 Cb -0.03 -0.16 -0.03 0.00 0.13 0.00 0.00 42.46 42.37 1n59 s ILE 98 CO 0.05 0.18 -0.10 -0.94 -1.91 0.00 0.00 174.94 172.22 1n59 s SER 99 N 2.08 1.41 0.00 4.50 1.04 -1.18 -0.87 113.70 120.69 1n59 s SER 99 Ca 0.04 -0.77 0.00 0.00 0.48 0.00 0.00 55.95 55.70 1n59 s SER 99 Cb -0.12 0.01 0.00 0.00 0.10 0.00 0.00 66.02 66.01 1n59 s SER 99 CO -0.03 -0.24 0.00 0.61 0.98 0.00 0.00 173.24 174.56 1n59 n GLY 100 N 0.70 -1.24 3.23 7.32 0.00 -0.69 -0.93 105.19 113.59 1n59 n GLY 100 Ca -0.17 -1.07 -0.13 0.00 0.00 0.00 0.00 46.02 44.65 1n59 n GLY 100 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1n59 s GLU 102 N -0.85 2.54 0.25 0.00 2.02 0.79 -1.54 118.70 121.91 1n59 s GLU 102 Ca -0.09 -1.19 -0.01 0.00 0.02 0.00 0.00 54.97 53.70 1n59 s GLU 102 Cb -0.04 -2.36 -0.03 0.00 0.10 0.00 0.00 34.13 31.79 1n59 s GLU 102 CO 0.03 0.41 0.25 0.14 0.02 0.00 0.00 175.26 176.11 1n59 s VAL 103 N -2.06 0.00 0.44 2.63 -7.23 0.13 -1.45 120.40 112.87 1n59 s VAL 103 Ca 0.31 -1.88 0.05 0.00 -1.81 0.00 0.00 61.98 58.65 1n59 s VAL 103 Cb -0.08 -2.48 0.08 0.00 0.56 0.00 0.00 36.38 34.46 1n59 s VAL 103 CO 0.21 0.00 0.61 0.61 -0.31 0.00 0.00 175.10 176.22 1n59 n GLY 104 N -0.40 1.63 0.25 2.32 0.00 -0.56 -2.30 105.19 106.14 1n59 n GLY 104 Ca 0.03 -2.15 0.15 0.00 0.00 0.00 0.00 46.02 44.04 1n59 n GLY 104 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 1n59 h SER 105 N -0.05 0.00 0.45 1.61 4.64 -1.90 -2.32 113.55 115.98 1n59 h SER 105 Ca -0.21 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.11 1n59 h SER 105 Cb 0.89 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.98 1n59 h SER 105 CO 0.27 0.01 0.00 -0.90 -0.87 0.00 0.00 176.83 175.34 1n59 n ASP 106 N -3.10 0.00 0.00 4.97 5.75 -1.26 -4.83 116.55 118.08 1n59 n ASP 106 Ca 0.02 0.26 0.00 0.00 -0.01 0.00 0.00 54.79 55.06 1n59 n ASP 106 Cb 0.40 -0.39 0.00 0.00 -1.03 0.00 0.00 41.12 40.10 1n59 n ASP 106 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1n59 n GLY 107 N 0.23 0.82 3.91 6.12 0.00 -0.87 -5.05 105.19 110.36 1n59 n GLY 107 Ca 0.06 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.81 1n59 n GLY 107 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1n59 s ARG 108 N -0.41 2.89 0.29 1.61 0.52 -1.26 -4.82 118.95 117.76 1n59 s ARG 108 Ca 0.00 0.06 -0.29 0.00 -0.52 0.00 0.00 55.73 54.97 1n59 s ARG 108 Cb 0.00 -2.23 -0.10 0.00 0.52 0.00 0.00 34.95 33.14 1n59 s ARG 108 CO 0.00 -0.76 1.16 -1.17 0.02 0.00 0.00 175.30 174.55 1n59 s LEU 109 N -5.05 4.51 -0.05 2.53 2.96 -1.26 -1.50 118.68 120.82 1n59 s LEU 109 Ca 0.55 2.38 -0.02 0.00 -0.22 0.00 0.00 54.13 56.81 1n59 s LEU 109 Cb -0.11 -3.63 -0.02 0.00 0.50 0.00 0.00 46.19 42.93 1n59 s LEU 109 CO 0.46 -0.26 -0.06 -0.11 -1.32 0.00 0.00 176.35 175.06 1n59 n LEU 110 N 1.18 0.34 -3.70 -0.68 7.94 -0.53 -4.73 117.00 116.83 1n59 n LEU 110 Ca -0.00 0.06 -0.14 0.00 -1.11 0.00 0.00 56.01 54.81 1n59 n LEU 110 Cb 0.44 -0.14 -0.08 0.00 0.53 0.00 0.00 43.42 44.17 1n59 n LEU 110 CO 0.55 0.10 0.15 -0.60 -1.11 0.00 0.00 177.39 176.49 1n59 s ARG 111 N -2.09 0.69 -0.00 1.96 3.52 -1.11 -4.97 118.95 116.96 1n59 s ARG 111 Ca -0.07 0.24 0.04 0.00 -0.13 0.00 0.00 55.73 55.82 1n59 s ARG 111 Cb 0.03 0.32 -0.01 0.00 -1.56 0.00 0.00 34.95 33.73 1n59 s ARG 111 CO 0.08 -0.16 -0.14 0.20 -0.81 0.00 0.00 175.30 174.47 1n59 s GLY 112 N -0.66 0.69 0.16 8.12 0.00 -1.26 -0.15 107.32 114.22 1n59 s GLY 112 Ca -0.08 -0.63 -0.06 0.00 0.00 0.00 0.00 44.72 43.95 1n59 s GLY 112 CO 0.04 -0.55 0.22 -2.52 0.00 0.00 0.00 173.10 170.29 1n59 s TYR 113 N -0.42 0.59 -0.30 1.90 -0.85 -0.54 -4.88 117.35 112.84 1n59 s TYR 113 Ca 0.04 -0.94 -0.15 0.00 -0.52 0.00 0.00 57.07 55.50 1n59 s TYR 113 Cb -0.06 -0.20 0.17 0.00 0.38 0.00 0.00 41.96 42.25 1n59 s TYR 113 CO -0.00 -0.67 1.06 -1.14 -1.52 0.00 0.00 175.55 173.27 1n59 s GLN 114 N -4.01 0.22 -0.03 -3.49 0.74 -1.25 -1.70 119.66 110.15 1n59 s GLN 114 Ca 0.21 0.53 -0.03 0.00 0.05 0.00 0.00 55.36 56.12 1n59 s GLN 114 Cb 0.05 0.31 0.01 0.00 1.10 0.00 0.00 33.01 34.48 1n59 s GLN 114 CO 0.02 -0.11 0.08 1.14 -0.55 0.00 0.00 175.29 175.87 1n59 s GLN 115 N 2.48 0.08 0.24 1.67 -2.07 -0.05 -2.04 119.66 119.98 1n59 s GLN 115 Ca -0.01 0.14 0.05 0.00 -1.82 0.00 0.00 55.36 53.72 1n59 s GLN 115 Cb -0.06 -0.00 -0.03 0.00 -1.09 0.00 0.00 33.01 31.83 1n59 s GLN 115 CO -0.16 -0.04 0.35 0.71 -1.32 0.00 0.00 175.29 174.83 1n59 s TYR 116 N 0.24 3.43 0.30 9.60 1.51 0.12 -1.85 117.35 130.72 1n59 s TYR 116 Ca -0.02 -0.02 0.02 0.00 -1.01 0.00 0.00 57.07 56.04 1n59 s TYR 116 Cb -0.03 -1.56 -0.02 0.00 -0.11 0.00 0.00 41.96 40.24 1n59 s TYR 116 CO -0.01 0.44 0.31 0.00 -1.11 0.00 0.00 175.55 175.19 1n59 s ALA 117 N -1.99 1.33 -0.26 3.71 0.00 -0.29 -2.49 121.76 121.77 1n59 s ALA 117 Ca 0.34 -1.79 -0.11 0.00 0.00 0.00 0.00 51.96 50.39 1n59 s ALA 117 Cb -0.09 1.35 0.10 0.00 0.00 0.00 0.00 23.12 24.49 1n59 s ALA 117 CO 0.29 -0.69 0.60 -0.47 0.00 0.00 0.00 175.76 175.48 1n59 s TYR 118 N -3.50 -1.09 -1.26 0.00 5.04 -0.08 -3.18 117.35 113.28 1n59 s TYR 118 Ca 0.37 2.04 -0.19 0.00 -2.44 0.00 0.00 57.07 56.85 1n59 s TYR 118 Cb 0.02 0.62 0.01 0.00 0.35 0.00 0.00 41.96 42.96 1n59 s TYR 118 CO 0.22 -0.56 0.61 -0.25 -1.34 0.00 0.00 175.55 174.22 1n59 n ASP 119 N 4.96 -3.29 0.00 4.32 8.00 0.50 -1.81 116.55 129.23 1n59 n ASP 119 Ca -0.15 -1.12 0.00 0.00 0.71 0.00 0.00 54.79 54.22 1n59 n ASP 119 Cb 0.53 -2.64 0.00 0.00 -0.02 0.00 0.00 41.12 38.98 1n59 n ASP 119 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1n59 n GLY 120 N -1.95 1.51 3.42 0.44 0.00 -1.26 -4.98 105.19 102.38 1n59 n GLY 120 Ca -0.17 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.55 1n59 n GLY 120 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1n59 n ASP 122 N 1.22 0.88 0.00 0.00 9.92 -1.26 -0.90 116.55 126.41 1n59 n ASP 122 Ca -0.17 1.14 -0.01 0.00 -0.53 0.00 0.00 54.79 55.22 1n59 n ASP 122 Cb 0.52 -1.11 -0.00 0.00 -0.64 0.00 0.00 41.12 39.89 1n59 n ASP 122 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 1n59 n TYR 123 N 1.69 0.00 -3.64 1.24 9.36 -1.04 -4.64 117.16 120.13 1n59 n TYR 123 Ca 0.18 0.00 -0.13 0.00 3.32 0.00 0.00 57.90 61.26 1n59 n TYR 123 Cb 0.19 -0.04 -0.06 0.00 -0.63 0.00 0.00 39.34 38.79 1n59 n TYR 123 CO 0.00 0.00 0.00 -1.50 0.22 0.00 0.00 176.86 175.58 1n59 s ILE 124 N -1.41 0.05 -0.14 2.97 2.07 -1.18 -0.45 121.20 123.11 1n59 s ILE 124 Ca -0.03 -0.38 -0.23 0.00 -1.41 0.00 0.00 60.65 58.61 1n59 s ILE 124 Cb 0.00 -0.94 0.06 0.00 0.13 0.00 0.00 42.46 41.71 1n59 s ILE 124 CO 0.04 -0.21 0.57 0.00 -1.91 0.00 0.00 174.94 173.43 1n59 s ALA 125 N -2.35 -1.44 -0.24 1.50 0.00 -0.82 0.15 121.76 118.56 1n59 s ALA 125 Ca -0.06 1.35 -0.27 0.00 0.00 0.00 0.00 51.96 52.98 1n59 s ALA 125 Cb -0.01 -0.52 0.00 0.00 0.00 0.00 0.00 23.12 22.60 1n59 s ALA 125 CO -0.01 -0.30 0.95 -1.17 0.00 0.00 0.00 175.76 175.22 1n59 s LEU 126 N -0.39 4.09 1.15 0.00 2.96 -0.86 -1.24 118.68 124.38 1n59 s LEU 126 Ca -0.05 1.22 -0.14 0.00 -0.22 0.00 0.00 54.13 54.94 1n59 s LEU 126 Cb -0.03 -3.39 0.23 0.00 0.50 0.00 0.00 46.19 43.50 1n59 s LEU 126 CO 0.04 -0.61 0.77 0.59 -1.32 0.00 0.00 176.35 175.82 1n59 n ASN 127 N 6.20 -1.79 0.25 3.68 3.02 -0.73 -4.71 115.26 121.18 1n59 n ASN 127 Ca 0.09 -0.11 0.12 0.00 -0.03 0.00 0.00 54.58 54.65 1n59 n ASN 127 Cb 0.47 -1.20 0.64 0.00 -0.61 0.00 0.00 39.78 39.07 1n59 n ASN 127 CO 0.00 0.00 0.00 -0.33 -2.62 0.00 0.00 177.26 174.31 1n59 h GLU 128 N -2.48 0.00 0.00 3.52 4.39 -1.89 -2.01 114.58 116.11 1n59 h GLU 128 Ca -0.58 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.12 1n59 h GLU 128 Cb 1.33 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.98 1n59 h GLU 128 CO 0.46 0.15 0.00 -0.40 -1.16 0.00 0.00 179.01 178.06 1n59 n ASP 129 N -3.50 0.00 -2.15 1.42 5.68 -1.26 -4.86 116.55 111.87 1n59 n ASP 129 Ca -0.01 0.49 -0.21 0.00 -0.50 0.00 0.00 54.79 54.57 1n59 n ASP 129 Cb 0.31 -0.50 -0.03 0.00 -1.14 0.00 0.00 41.12 39.76 1n59 n ASP 129 CO 0.00 0.00 0.00 0.18 -1.33 0.00 0.00 177.20 176.05 1n59 n LEU 130 N -1.50 -1.83 0.00 -2.12 4.77 -0.75 -4.78 117.00 110.79 1n59 n LEU 130 Ca 0.04 0.12 0.00 0.00 -0.03 0.00 0.00 56.01 56.13 1n59 n LEU 130 Cb 0.19 -2.89 0.00 0.00 -2.33 0.00 0.00 43.42 38.39 1n59 n LEU 130 CO 0.15 -0.44 -0.21 0.29 -1.33 0.00 0.00 177.39 175.85 1n59 n LYS 131 N -2.83 0.67 -3.84 3.23 5.02 -1.26 -4.65 118.16 114.49 1n59 n LYS 131 Ca -0.23 0.00 -0.22 0.00 -2.02 0.00 0.00 58.31 55.83 1n59 n LYS 131 Cb 0.68 -0.71 -0.05 0.00 -0.02 0.00 0.00 35.03 34.93 1n59 n LYS 131 CO 0.00 0.00 0.00 0.95 -0.52 0.00 0.00 177.40 177.83 1n59 s THR 132 N -1.43 2.84 0.12 -0.18 -4.23 -1.26 -4.84 115.64 106.67 1n59 s THR 132 Ca 0.00 -1.50 0.10 0.00 -1.18 0.00 0.00 61.69 59.11 1n59 s THR 132 Cb 0.00 -3.03 -0.04 0.00 1.34 0.00 0.00 72.50 70.77 1n59 s THR 132 CO 0.00 -0.08 -0.22 0.26 -0.54 0.00 0.00 174.62 174.05 1n59 s TRP 133 N -2.45 2.44 -0.25 3.99 0.52 -1.26 -1.77 118.94 120.15 1n59 s TRP 133 Ca 0.43 -0.31 0.01 0.00 0.02 0.00 0.00 56.10 56.25 1n59 s TRP 133 Cb -0.02 -1.30 0.05 0.00 -1.15 0.00 0.00 33.47 31.05 1n59 s TRP 133 CO 0.25 0.37 -0.10 0.99 0.02 0.00 0.00 176.95 178.48 1n59 s THR 134 N -1.13 2.35 -0.06 2.01 2.01 -0.37 -4.87 115.64 115.59 1n59 s THR 134 Ca 0.16 -1.43 -0.13 0.00 0.31 0.00 0.00 61.69 60.61 1n59 s THR 134 Cb -0.10 -2.30 -0.05 0.00 0.01 0.00 0.00 72.50 70.06 1n59 s THR 134 CO 0.08 0.07 0.33 0.00 -0.69 0.00 0.00 174.62 174.42 1n59 s ALA 135 N 1.18 3.71 -0.02 7.40 0.00 -1.26 -1.95 121.76 130.82 1n59 s ALA 135 Ca -0.05 -0.35 -0.03 0.00 0.00 0.00 0.00 51.96 51.53 1n59 s ALA 135 Cb -0.19 -2.30 -0.01 0.00 0.00 0.00 0.00 23.12 20.62 1n59 s ALA 135 CO -0.06 0.43 0.29 0.00 0.00 0.00 0.00 175.76 176.42 1n59 h ALA 136 N 5.17 -0.28 -1.66 0.00 0.00 -1.03 -3.48 119.26 117.99 1n59 h ALA 136 Ca -0.50 -0.02 -0.53 0.00 0.00 0.00 0.00 54.91 53.86 1n59 h ALA 136 Cb 1.21 0.04 -0.06 0.00 0.00 0.00 0.00 17.79 18.98 1n59 h ALA 136 CO 0.63 -0.27 -0.46 0.16 0.00 0.00 0.00 179.25 179.31 1n59 s ASP 137 N -3.39 4.78 0.36 0.00 1.47 -1.26 -5.01 116.67 113.62 1n59 s ASP 137 Ca -0.01 -0.83 0.24 0.00 1.18 0.00 0.00 52.55 53.13 1n59 s ASP 137 Cb 0.00 -0.62 1.32 0.00 -0.34 0.00 0.00 42.92 43.28 1n59 s ASP 137 CO 0.04 -0.50 1.75 0.24 0.68 0.00 0.00 175.17 177.38 1n59 h MET 138 N 1.30 0.00 0.06 2.11 2.86 -1.97 -1.15 114.93 118.14 1n59 h MET 138 Ca -0.43 0.00 -0.00 0.00 -2.06 0.00 0.00 59.70 57.21 1n59 h MET 138 Cb 1.26 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.92 1n59 h MET 138 CO 0.63 0.00 -0.03 0.00 1.06 0.00 0.00 176.91 178.57 1n59 h ALA 139 N 2.01 -0.07 0.00 6.32 0.00 -1.95 -1.97 119.26 123.60 1n59 h ALA 139 Ca 0.00 -0.25 0.00 0.00 0.00 0.00 0.00 54.91 54.66 1n59 h ALA 139 Cb 0.01 0.03 0.00 0.00 0.00 0.00 0.00 17.79 17.83 1n59 h ALA 139 CO 0.00 -0.28 0.00 0.00 0.00 0.00 0.00 179.25 178.97 1n59 n ALA 140 N -2.40 1.28 0.21 0.00 0.00 -0.48 -1.37 120.51 117.75 1n59 n ALA 140 Ca -0.09 0.07 0.08 0.00 0.00 0.00 0.00 53.44 53.51 1n59 n ALA 140 Cb 0.26 -1.22 0.40 0.00 0.00 0.00 0.00 19.45 18.89 1n59 n ALA 140 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 177.50 178.75 1n59 h LEU 141 N 0.00 0.00 0.03 0.00 5.85 -0.79 -2.14 115.31 118.26 1n59 h LEU 141 Ca 0.00 0.00 -0.06 0.00 0.84 0.00 0.00 57.88 58.66 1n59 h LEU 141 Cb 0.13 0.00 0.01 0.00 0.37 0.00 0.00 40.66 41.16 1n59 h LEU 141 CO 0.00 0.27 -0.27 0.40 -0.34 0.00 0.00 178.44 178.51 1n59 h ILE 142 N 0.00 1.63 -0.31 4.05 2.04 -1.19 -3.13 117.51 120.60 1n59 h ILE 142 Ca -0.00 -2.20 0.02 0.00 1.00 0.00 0.00 64.86 63.68 1n59 h ILE 142 Cb 0.83 3.08 -0.02 0.00 -0.74 0.00 0.00 36.82 39.97 1n59 h ILE 142 CO 0.04 0.59 0.21 0.74 0.00 0.00 0.00 178.15 179.73 1n59 h THR 143 N -0.66 1.02 -0.81 -0.27 2.02 -1.61 -0.02 112.91 112.58 1n59 h THR 143 Ca -0.04 -0.11 0.02 0.00 0.77 0.00 0.00 66.41 67.05 1n59 h THR 143 Cb 1.12 0.67 -0.04 0.00 -1.74 0.00 0.00 68.15 68.15 1n59 h THR 143 CO 0.05 0.06 0.53 0.50 0.37 0.00 0.00 175.52 177.03 1n59 h LYS 144 N 0.33 1.03 -0.07 6.66 3.64 -1.35 -2.48 116.57 124.32 1n59 h LYS 144 Ca 0.12 -0.06 -0.21 0.00 -1.27 0.00 0.00 60.65 59.23 1n59 h LYS 144 Cb 0.10 -0.23 0.00 0.00 -0.41 0.00 0.00 32.23 31.69 1n59 h LYS 144 CO -0.03 0.68 -0.81 0.45 -2.27 0.00 0.00 179.45 177.47 1n59 h HIS 145 N 1.06 0.72 -0.47 1.91 3.86 -0.99 -1.77 115.15 119.47 1n59 h HIS 145 Ca 0.31 -0.34 0.08 0.00 -1.16 0.00 0.00 60.37 59.26 1n59 h HIS 145 Cb -0.06 -0.10 -0.07 0.00 1.06 0.00 0.00 27.41 28.24 1n59 h HIS 145 CO -0.02 1.13 0.06 0.87 0.86 0.00 0.00 177.93 180.83 1n59 h LYS 146 N 0.34 0.17 -0.11 2.45 1.57 -1.08 0.22 116.57 120.12 1n59 h LYS 146 Ca -0.05 -0.01 -0.14 0.00 -1.87 0.00 0.00 60.65 58.58 1n59 h LYS 146 Cb 1.42 -0.04 -0.01 0.00 0.08 0.00 0.00 32.23 33.68 1n59 h LYS 146 CO 0.15 0.11 -0.53 -1.49 -0.57 0.00 0.00 179.45 177.12 1n59 h TRP 147 N 0.18 0.40 -0.63 -1.35 6.55 -1.41 -1.06 115.95 118.62 1n59 h TRP 147 Ca 0.23 -0.14 -0.06 0.00 0.95 0.00 0.00 58.89 59.88 1n59 h TRP 147 Cb 0.32 -0.08 -0.03 0.00 -0.86 0.00 0.00 29.16 28.52 1n59 h TRP 147 CO -0.25 0.78 0.15 0.93 -1.05 0.00 0.00 178.44 179.00 1n59 h GLU 148 N 0.25 1.02 0.00 0.49 5.08 -0.33 -0.48 114.58 120.61 1n59 h GLU 148 Ca 0.01 -0.25 -0.01 0.00 -1.00 0.00 0.00 59.36 58.11 1n59 h GLU 148 Cb 1.02 -0.13 -0.00 0.00 0.50 0.00 0.00 28.75 30.13 1n59 h GLU 148 CO 0.09 0.92 -0.06 1.96 -1.00 0.00 0.00 179.01 180.92 1n59 h GLN 149 N 0.94 0.00 -0.47 2.33 1.08 -0.83 -2.86 115.11 115.30 1n59 h GLN 149 Ca 0.20 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.40 1n59 h GLN 149 Cb 0.36 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 27.79 1n59 h GLN 149 CO 0.00 0.06 0.00 0.00 -0.95 0.00 0.00 178.83 177.94 1n59 n ALA 150 N -2.12 2.47 -2.16 3.87 0.00 -0.42 -4.96 120.51 117.20 1n59 n ALA 150 Ca 0.02 -1.40 -0.16 0.00 0.00 0.00 0.00 53.44 51.89 1n59 n ALA 150 Cb 0.43 -0.67 -0.03 0.00 0.00 0.00 0.00 19.45 19.19 1n59 n ALA 150 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1n59 n GLY 151 N 0.72 0.08 0.32 0.00 0.00 -0.33 -4.82 105.19 101.15 1n59 n GLY 151 Ca 0.18 0.00 0.14 0.00 0.00 0.00 0.00 46.02 46.34 1n59 n GLY 151 CO 0.00 0.00 0.00 -2.09 0.00 0.00 0.00 173.32 171.23 1n59 h GLU 152 N 0.00 0.03 -0.26 1.61 4.57 -1.44 -1.46 114.58 117.62 1n59 h GLU 152 Ca -0.37 -0.00 -0.02 0.00 -1.18 0.00 0.00 59.36 57.79 1n59 h GLU 152 Cb 1.22 -0.01 -0.01 0.00 -0.16 0.00 0.00 28.75 29.80 1n59 h GLU 152 CO 0.47 0.02 0.09 0.00 -1.18 0.00 0.00 179.01 178.41 1n59 h ALA 153 N 1.85 0.34 0.00 2.92 0.00 -1.88 0.29 119.26 122.78 1n59 h ALA 153 Ca 0.14 -0.13 -0.02 0.00 0.00 0.00 0.00 54.91 54.90 1n59 h ALA 153 Cb 0.51 -0.10 -0.00 0.00 0.00 0.00 0.00 17.79 18.19 1n59 h ALA 153 CO -0.01 -0.04 -0.08 1.05 0.00 0.00 0.00 179.25 180.17 1n59 h GLU 154 N 0.27 0.00 -0.37 0.00 4.11 -1.66 -1.18 114.58 115.74 1n59 h GLU 154 Ca 0.09 0.00 -0.13 0.00 0.07 0.00 0.00 59.36 59.39 1n59 h GLU 154 Cb 0.21 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.45 1n59 h GLU 154 CO -0.00 0.08 -0.25 -0.09 0.07 0.00 0.00 179.01 178.81 1n59 h ARG 155 N 0.00 0.83 -0.21 1.06 2.43 -0.64 -2.31 114.38 115.55 1n59 h ARG 155 Ca -0.00 -0.40 -0.05 0.00 -0.81 0.00 0.00 59.98 58.72 1n59 h ARG 155 Cb 0.87 -0.01 -0.01 0.00 -0.42 0.00 0.00 29.97 30.41 1n59 h ARG 155 CO 0.01 1.03 -0.07 1.25 -1.51 0.00 0.00 179.97 180.68 1n59 h LEU 156 N 0.63 0.43 -1.29 3.80 6.46 -0.74 -3.06 115.31 121.54 1n59 h LEU 156 Ca 0.07 -0.39 0.07 0.00 -0.12 0.00 0.00 57.88 57.52 1n59 h LEU 156 Cb 0.82 -0.12 -0.05 0.00 -0.73 0.00 0.00 40.66 40.58 1n59 h LEU 156 CO 0.07 0.72 0.52 -0.09 -0.62 0.00 0.00 178.44 179.04 1n59 h ARG 157 N 0.14 0.82 -0.77 1.25 2.43 -1.18 0.76 114.38 117.82 1n59 h ARG 157 Ca 0.05 -0.05 -0.01 0.00 -0.81 0.00 0.00 59.98 59.16 1n59 h ARG 157 Cb 0.55 -0.19 -0.04 0.00 -0.42 0.00 0.00 29.97 29.87 1n59 h ARG 157 CO 0.03 0.54 0.43 0.00 -1.51 0.00 0.00 179.97 179.46 1n59 h ALA 158 N 1.57 1.30 -0.07 2.80 0.00 -1.34 0.15 119.26 123.68 1n59 h ALA 158 Ca 0.35 -0.11 -0.04 0.00 0.00 0.00 0.00 54.91 55.10 1n59 h ALA 158 Cb 0.27 -0.31 0.00 0.00 0.00 0.00 0.00 17.79 17.75 1n59 h ALA 158 CO -0.13 0.57 -0.13 -0.92 0.00 0.00 0.00 179.25 178.65 1n59 h TYR 159 N 1.08 0.27 0.43 0.00 3.20 0.33 -1.47 116.97 120.80 1n59 h TYR 159 Ca 0.27 -0.09 -0.02 0.00 3.14 0.00 0.00 58.73 62.03 1n59 h TYR 159 Cb 0.01 -0.05 0.00 0.00 1.54 0.00 0.00 36.73 38.24 1n59 h TYR 159 CO 0.01 0.72 -0.21 -0.07 -1.64 0.00 0.00 178.16 176.97 1n59 h LEU 160 N -0.26 -0.49 -1.57 2.82 3.38 0.19 -0.52 115.31 118.86 1n59 h LEU 160 Ca 0.00 -0.01 0.00 0.00 0.09 0.00 0.00 57.88 57.96 1n59 h LEU 160 Cb 0.70 0.13 0.00 0.00 0.09 0.00 0.00 40.66 41.58 1n59 h LEU 160 CO 0.03 -0.31 0.00 -0.33 0.09 0.00 0.00 178.44 177.92 1n59 h GLU 161 N -0.64 0.00 0.00 1.13 5.08 -1.06 -3.01 114.58 116.08 1n59 h GLU 161 Ca -0.06 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.30 1n59 h GLU 161 Cb 0.48 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.73 1n59 h GLU 161 CO 0.10 0.00 0.00 0.41 -1.00 0.00 0.00 179.01 178.52 1n59 n GLY 162 N -0.22 0.26 0.45 -3.84 0.00 -0.55 -4.63 105.19 96.66 1n59 n GLY 162 Ca 0.00 0.00 0.26 0.00 0.00 0.00 0.00 46.02 46.29 1n59 n GLY 162 CO 0.00 0.00 0.00 -0.84 0.00 0.00 0.00 173.32 172.48 1n59 h THR 163 N 0.00 0.55 0.18 2.61 2.02 -1.66 -1.39 112.91 115.22 1n59 h THR 163 Ca 0.00 -0.06 -0.01 0.00 0.77 0.00 0.00 66.41 67.11 1n59 h THR 163 Cb 0.00 0.36 0.00 0.00 -1.74 0.00 0.00 68.15 66.78 1n59 h THR 163 CO 0.00 0.03 -0.09 0.00 0.37 0.00 0.00 175.52 175.84 1n59 h VAL 165 N -0.91 0.69 0.05 0.00 -1.51 -1.31 -2.38 116.25 110.87 1n59 h VAL 165 Ca -0.02 -0.62 -0.00 0.00 -1.23 0.00 0.00 66.70 64.82 1n59 h VAL 165 Cb 0.50 1.39 0.00 0.00 -2.13 0.00 0.00 31.29 31.05 1n59 h VAL 165 CO 0.04 0.15 -0.02 -0.33 -1.23 0.00 0.00 177.57 176.17 1n59 h GLU 166 N 0.00 -0.07 0.00 5.19 5.08 -1.30 -3.00 114.58 120.48 1n59 h GLU 166 Ca -0.00 0.00 -0.03 0.00 -1.00 0.00 0.00 59.36 58.34 1n59 h GLU 166 Cb 0.38 0.02 -0.00 0.00 0.50 0.00 0.00 28.75 29.64 1n59 h GLU 166 CO 0.02 0.56 -0.13 -1.49 -1.00 0.00 0.00 179.01 176.96 1n59 h TRP 167 N -0.86 0.00 -0.10 4.33 4.06 -1.45 -1.53 115.95 120.40 1n59 h TRP 167 Ca -0.01 0.00 0.02 0.00 2.06 0.00 0.00 58.89 60.97 1n59 h TRP 167 Cb 0.65 0.00 -0.02 0.00 -1.00 0.00 0.00 29.16 28.79 1n59 h TRP 167 CO 0.16 0.13 -0.04 1.25 -3.56 0.00 0.00 178.44 176.38 1n59 h LEU 168 N 0.00 -0.14 -0.52 -4.49 5.85 -1.41 0.26 115.31 114.86 1n59 h LEU 168 Ca -0.00 0.04 0.01 0.00 0.84 0.00 0.00 57.88 58.76 1n59 h LEU 168 Cb 0.37 0.08 -0.03 0.00 0.37 0.00 0.00 40.66 41.45 1n59 h LEU 168 CO 0.02 -0.05 0.34 0.03 -0.34 0.00 0.00 178.44 178.43 1n59 h ARG 169 N -0.03 0.67 0.17 1.25 3.08 -1.16 0.14 114.38 118.51 1n59 h ARG 169 Ca 0.05 -0.04 0.01 0.00 0.07 0.00 0.00 59.98 60.08 1n59 h ARG 169 Cb 0.11 -0.15 -0.04 0.00 0.08 0.00 0.00 29.97 29.96 1n59 h ARG 169 CO -0.12 0.44 -0.42 -0.09 -1.07 0.00 0.00 179.97 178.72 1n59 h ARG 170 N 0.69 -0.66 -0.14 0.04 2.43 -0.73 -0.86 114.38 115.15 1n59 h ARG 170 Ca 0.20 0.05 0.04 0.00 -0.81 0.00 0.00 59.98 59.46 1n59 h ARG 170 Cb -0.06 0.15 -0.07 0.00 -0.42 0.00 0.00 29.97 29.57 1n59 h ARG 170 CO -0.05 -0.44 -0.42 1.88 -1.51 0.00 0.00 179.97 179.43 1n59 h TYR 171 N -0.69 -1.19 0.00 2.20 0.05 -0.17 0.38 116.97 117.56 1n59 h TYR 171 Ca 0.01 0.05 0.00 0.00 0.05 0.00 0.00 58.73 58.84 1n59 h TYR 171 Cb 0.69 0.54 0.00 0.00 1.01 0.00 0.00 36.73 38.97 1n59 h TYR 171 CO -0.34 -0.47 0.32 1.28 -1.05 0.00 0.00 178.16 177.89 1n59 n LEU 172 N -5.43 0.34 -0.10 3.88 4.77 0.46 -0.66 117.00 120.25 1n59 n LEU 172 Ca -0.04 0.55 -0.14 0.00 -0.03 0.00 0.00 56.01 56.36 1n59 n LEU 172 Cb 0.36 -0.49 -0.10 0.00 -2.33 0.00 0.00 43.42 40.85 1n59 n LEU 172 CO 0.12 -0.67 -1.17 1.17 -1.33 0.00 0.00 177.39 175.51 1n59 n LYS 173 N -2.06 0.67 -0.27 3.23 4.81 0.11 -3.30 118.16 121.34 1n59 n LYS 173 Ca -0.01 0.10 0.00 0.00 -0.87 0.00 0.00 58.31 57.53 1n59 n LYS 173 Cb 0.34 -1.43 0.13 0.00 0.02 0.00 0.00 35.03 34.08 1n59 n LYS 173 CO 0.00 0.00 0.00 -0.91 1.17 0.00 0.00 177.40 177.66 1n59 h ASN 174 N 0.00 0.66 -1.16 3.14 4.21 0.16 -3.21 115.58 119.38 1n59 h ASN 174 Ca -0.47 0.03 -0.49 0.00 1.21 0.00 0.00 56.30 56.58 1n59 h ASN 174 Cb 1.79 -0.10 -0.41 0.00 -1.12 0.00 0.00 38.32 38.48 1n59 h ASN 174 CO -0.06 0.41 -0.91 0.61 -1.29 0.00 0.00 177.43 176.20 1n59 n GLY 175 N -1.31 4.43 0.23 2.83 0.00 -0.81 -4.81 105.19 105.76 1n59 n GLY 175 Ca 0.11 -2.19 0.03 0.00 0.00 0.00 0.00 46.02 43.96 1n59 n GLY 175 CO 0.00 0.00 0.00 3.45 0.00 0.00 0.00 173.32 176.77 1n59 h ASN 176 N 2.64 0.18 0.07 1.61 -1.07 -1.55 0.88 115.58 118.34 1n59 h ASN 176 Ca 0.16 -0.04 0.00 0.00 0.07 0.00 0.00 56.30 56.49 1n59 h ASN 176 Cb 1.12 -0.05 0.00 0.00 -2.07 0.00 0.00 38.32 37.32 1n59 h ASN 176 CO 0.68 0.36 0.00 0.00 0.07 0.00 0.00 177.43 178.54 1n59 h ALA 177 N 1.66 1.00 0.00 4.14 0.00 -1.87 0.46 119.26 124.65 1n59 h ALA 177 Ca 0.04 0.00 -0.14 0.00 0.00 0.00 0.00 54.91 54.81 1n59 h ALA 177 Cb 0.40 0.00 -0.03 0.00 0.00 0.00 0.00 17.79 18.16 1n59 h ALA 177 CO 0.02 0.00 -1.52 2.41 0.00 0.00 0.00 179.25 180.17 1n59 n THR 178 N -2.40 0.52 0.00 0.00 -1.04 -0.36 -4.54 114.28 106.46 1n59 n THR 178 Ca -0.01 -0.28 -0.00 0.00 -2.04 0.00 0.00 64.05 61.71 1n59 n THR 178 Cb 0.06 -0.81 -0.11 0.00 -1.82 0.00 0.00 70.33 67.65 1n59 n THR 178 CO 0.00 0.00 0.00 0.18 -0.64 0.00 0.00 175.07 174.61 1n59 n LEU 179 N -2.41 0.58 -1.89 -4.42 4.77 0.16 -4.08 117.00 109.71 1n59 n LEU 179 Ca -0.13 0.26 -0.01 0.00 -0.03 0.00 0.00 56.01 56.09 1n59 n LEU 179 Cb 0.72 0.14 0.34 0.00 -2.33 0.00 0.00 43.42 42.29 1n59 n LEU 179 CO 0.14 0.19 0.96 0.18 -1.33 0.00 0.00 177.39 177.53 1n59 n LEU 180 N -2.78 5.84 -4.95 2.23 4.77 0.16 -4.95 117.00 117.33 1n59 n LEU 180 Ca -0.13 -3.13 -0.24 0.00 -0.03 0.00 0.00 56.01 52.48 1n59 n LEU 180 Cb 0.86 -0.71 0.04 0.00 -2.33 0.00 0.00 43.42 41.28 1n59 n LEU 180 CO 0.43 0.75 0.46 0.00 -1.33 0.00 0.00 177.39 177.71 1n59 s ARG 181 N -2.92 2.56 -0.20 3.23 1.70 -1.26 -4.99 118.95 117.07 1n59 s ARG 181 Ca 0.54 -0.45 -0.04 0.00 -0.47 0.00 0.00 55.73 55.31 1n59 s ARG 181 Cb 0.43 -2.36 0.09 0.00 -0.57 0.00 0.00 34.95 32.54 1n59 s ARG 181 CO 0.14 -0.82 0.20 0.99 -1.08 0.00 0.00 175.30 174.72 1n59 s THR 182 N -2.93 -0.29 -0.24 4.99 2.01 -1.26 -4.60 115.64 113.32 1n59 s THR 182 Ca 0.56 -0.13 -0.10 0.00 0.31 0.00 0.00 61.69 62.33 1n59 s THR 182 Cb -0.10 -0.67 -0.05 0.00 0.01 0.00 0.00 72.50 71.69 1n59 s THR 182 CO 0.41 -0.23 0.15 -1.81 -0.69 0.00 0.00 174.62 172.46 1n59 s ASP 183 N 2.30 6.04 0.33 3.53 1.01 -0.89 -4.93 116.67 124.06 1n59 s ASP 183 Ca 0.06 0.08 -0.27 0.00 0.71 0.00 0.00 52.55 53.13 1n59 s ASP 183 Cb -0.16 -2.09 -0.09 0.00 1.01 0.00 0.00 42.92 41.59 1n59 s ASP 183 CO -0.12 0.06 1.06 -0.44 0.21 0.00 0.00 175.17 175.94 1n59 s SER 184 N 1.11 7.08 -0.17 0.27 0.01 -1.26 -1.35 113.70 119.40 1n59 s SER 184 Ca 0.07 2.14 -0.29 0.00 1.31 0.00 0.00 55.95 59.18 1n59 s SER 184 Cb -0.14 -2.61 -0.01 0.00 0.21 0.00 0.00 66.02 63.48 1n59 s SER 184 CO 0.05 -0.26 1.15 -2.16 0.41 0.00 0.00 173.24 172.43 1n59 s PRO 185 N -1.88 4.28 0.01 12.44 0.04 -1.26 -4.31 135.00 144.32 1n59 s PRO 185 Ca 0.50 1.54 -0.22 0.00 0.04 0.00 0.00 61.00 62.85 1n59 s PRO 185 Cb -0.27 -3.67 -0.05 0.00 0.04 0.00 0.00 34.50 30.54 1n59 s PRO 185 CO 0.34 -0.61 0.65 0.15 0.04 0.00 0.00 177.00 177.58 1n59 s LYS 186 N 3.09 4.38 0.32 4.56 1.02 -0.93 -4.82 119.74 127.36 1n59 s LYS 186 Ca 0.51 0.85 0.04 0.00 0.02 0.00 0.00 55.97 57.38 1n59 s LYS 186 Cb -0.19 -3.35 -0.06 0.00 -0.52 0.00 0.00 37.83 33.71 1n59 s LYS 186 CO 0.13 0.34 0.06 0.00 -0.92 0.00 0.00 175.35 174.97 1n59 s ALA 187 N -0.16 2.31 -0.08 5.17 0.00 -1.26 0.18 121.76 127.92 1n59 s ALA 187 Ca 0.33 -2.04 -0.32 0.00 0.00 0.00 0.00 51.96 49.93 1n59 s ALA 187 Cb -0.19 0.69 0.13 0.00 0.00 0.00 0.00 23.12 23.75 1n59 s ALA 187 CO 0.19 -0.32 1.25 -3.38 0.00 0.00 0.00 175.76 173.50 1n59 s HIS 188 N -3.33 -0.08 0.00 0.00 -3.43 -0.64 -4.99 115.29 102.82 1n59 s HIS 188 Ca 0.37 -0.01 0.08 0.00 -0.80 0.00 0.00 55.06 54.70 1n59 s HIS 188 Cb 0.09 0.54 -0.02 0.00 -1.43 0.00 0.00 32.58 31.75 1n59 s HIS 188 CO 0.15 -0.26 -0.26 0.08 -2.00 0.00 0.00 174.74 172.45 1n59 s VAL 189 N -2.45 2.06 0.24 -5.38 1.01 -1.26 0.28 120.40 114.90 1n59 s VAL 189 Ca 0.12 -1.20 0.10 0.00 0.00 0.00 0.00 61.98 61.01 1n59 s VAL 189 Cb 0.02 -1.73 -0.04 0.00 0.00 0.00 0.00 36.38 34.63 1n59 s VAL 189 CO -0.04 0.51 -0.08 0.42 0.00 0.00 0.00 175.10 175.90 1n59 s THR 190 N -0.67 3.12 -0.04 3.92 -4.23 0.15 -4.80 115.64 113.09 1n59 s THR 190 Ca 0.10 -1.93 0.03 0.00 -1.18 0.00 0.00 61.69 58.71 1n59 s THR 190 Cb -0.10 -2.62 0.00 0.00 1.34 0.00 0.00 72.50 71.13 1n59 s THR 190 CO 0.00 -0.28 -0.12 -2.28 -0.54 0.00 0.00 174.62 171.40 1n59 s HIS 191 N -2.12 1.27 -0.04 3.99 5.04 -1.26 -0.35 115.29 121.81 1n59 s HIS 191 Ca 0.28 -0.37 -0.01 0.00 -1.54 0.00 0.00 55.06 53.43 1n59 s HIS 191 Cb -0.07 -0.90 0.03 0.00 0.04 0.00 0.00 32.58 31.68 1n59 s HIS 191 CO 0.17 -0.16 0.02 -1.01 -2.34 0.00 0.00 174.74 171.42 1n59 s HIS 192 N 0.28 0.29 1.03 3.88 3.76 -0.61 -5.02 115.29 118.90 1n59 s HIS 192 Ca -0.06 0.04 -0.12 0.00 -0.15 0.00 0.00 55.06 54.77 1n59 s HIS 192 Cb -0.11 -0.49 0.21 0.00 1.11 0.00 0.00 32.58 33.30 1n59 s HIS 192 CO 0.02 -0.18 1.08 -1.54 -0.85 0.00 0.00 174.74 173.26 1n59 s SER 193 N 1.48 2.14 0.17 1.40 1.04 -1.26 -1.59 113.70 117.08 1n59 s SER 193 Ca -0.03 1.67 -0.20 0.00 0.48 0.00 0.00 55.95 57.86 1n59 s SER 193 Cb -0.13 -2.32 0.05 0.00 0.10 0.00 0.00 66.02 63.72 1n59 s SER 193 CO -0.03 -3.50 0.55 -0.60 0.98 0.00 0.00 173.24 170.64 1n59 s ARG 194 N -4.65 1.30 0.71 4.02 3.52 -1.03 -4.72 118.95 118.10 1n59 s ARG 194 Ca 0.67 -0.64 -0.16 0.00 -0.13 0.00 0.00 55.73 55.47 1n59 s ARG 194 Cb -0.22 0.55 0.03 0.00 -1.56 0.00 0.00 34.95 33.75 1n59 s ARG 194 CO 0.61 -0.56 1.26 -2.14 -0.81 0.00 0.00 175.30 173.66 1n59 s PRO 195 N -3.80 2.17 -1.33 5.12 0.02 -1.26 -3.74 135.00 132.18 1n59 s PRO 195 Ca 0.04 1.95 -0.07 0.00 0.02 0.00 0.00 61.00 62.93 1n59 s PRO 195 Cb -0.01 -1.81 0.01 0.00 0.02 0.00 0.00 34.50 32.71 1n59 s PRO 195 CO -0.09 -1.86 1.16 -1.91 -0.33 0.00 0.00 177.00 173.96 1n59 n GLU 196 N -2.48 -7.76 -4.03 5.54 2.13 -1.26 -3.01 120.64 109.77 1n59 n GLU 196 Ca 0.15 0.83 -0.30 0.00 0.66 0.00 0.00 57.16 58.50 1n59 n GLU 196 Cb 0.49 -5.89 -0.01 0.00 0.27 0.00 0.00 31.44 26.30 1n59 n GLU 196 CO 0.00 0.00 0.00 -0.25 -0.41 0.00 0.00 177.13 176.47 1n59 n ASP 197 N -3.04 -2.21 -4.72 4.31 9.92 -1.24 -4.97 116.55 114.59 1n59 n ASP 197 Ca -0.04 -0.96 -0.23 0.00 -0.53 0.00 0.00 54.79 53.03 1n59 n ASP 197 Cb 0.58 -3.16 -0.06 0.00 -0.64 0.00 0.00 41.12 37.84 1n59 n ASP 197 CO 0.00 0.00 0.00 -0.75 0.13 0.00 0.00 177.20 176.58 1n59 s LYS 198 N -6.67 2.35 -0.14 -1.24 2.47 -1.17 -2.39 119.74 112.97 1n59 s LYS 198 Ca 0.38 -1.55 -0.09 0.00 -1.56 0.00 0.00 55.97 53.15 1n59 s LYS 198 Cb -0.20 -2.16 0.05 0.00 -1.46 0.00 0.00 37.83 34.05 1n59 s LYS 198 CO 0.89 0.13 0.35 0.08 0.16 0.00 0.00 175.35 176.96 1n59 s VAL 199 N -2.42 -0.02 -0.30 4.02 1.01 -0.07 -2.48 120.40 120.14 1n59 s VAL 199 Ca 0.37 0.08 -0.12 0.00 0.00 0.00 0.00 61.98 62.31 1n59 s VAL 199 Cb -0.03 -0.51 -0.04 0.00 0.00 0.00 0.00 36.38 35.81 1n59 s VAL 199 CO 0.22 0.03 0.23 -0.89 0.00 0.00 0.00 175.10 174.70 1n59 s THR 200 N 0.98 5.28 -0.20 3.92 2.01 -0.62 -0.24 115.64 126.77 1n59 s THR 200 Ca -0.06 0.08 -0.07 0.00 0.31 0.00 0.00 61.69 61.95 1n59 s THR 200 Cb -0.07 -3.62 -0.03 0.00 0.01 0.00 0.00 72.50 68.79 1n59 s THR 200 CO -0.07 0.14 0.04 -0.76 -0.69 0.00 0.00 174.62 173.28 1n59 s LEU 201 N 1.80 3.53 -0.06 4.42 1.43 -0.18 -1.58 118.68 128.04 1n59 s LEU 201 Ca 0.08 -0.09 0.04 0.00 -1.03 0.00 0.00 54.13 53.13 1n59 s LEU 201 Cb -0.16 -1.91 -0.02 0.00 0.03 0.00 0.00 46.19 44.13 1n59 s LEU 201 CO 0.11 0.09 -0.17 -0.60 0.23 0.00 0.00 176.35 176.01 1n59 s ARG 202 N 0.88 2.62 -0.24 1.70 3.52 0.52 -0.84 118.95 127.11 1n59 s ARG 202 Ca 0.03 -0.75 -0.02 0.00 -0.13 0.00 0.00 55.73 54.85 1n59 s ARG 202 Cb -0.14 -2.35 0.02 0.00 -1.56 0.00 0.00 34.95 30.91 1n59 s ARG 202 CO 0.02 0.51 -0.06 0.00 -0.81 0.00 0.00 175.30 174.96 1n59 s TRP 204 N 1.37 3.47 -0.10 0.00 0.52 0.14 -1.94 118.94 122.39 1n59 s TRP 204 Ca 0.02 0.42 0.01 0.00 0.02 0.00 0.00 56.10 56.56 1n59 s TRP 204 Cb -0.16 -1.89 0.02 0.00 -1.15 0.00 0.00 33.47 30.30 1n59 s TRP 204 CO -0.04 0.66 -0.10 0.00 0.02 0.00 0.00 176.95 177.48 1n59 s ALA 205 N -1.01 1.41 0.33 0.98 0.00 -0.31 -1.61 121.76 121.54 1n59 s ALA 205 Ca 0.15 -0.57 0.05 0.00 0.00 0.00 0.00 51.96 51.59 1n59 s ALA 205 Cb -0.12 -0.83 -0.07 0.00 0.00 0.00 0.00 23.12 22.11 1n59 s ALA 205 CO 0.05 -0.24 0.04 -0.51 0.00 0.00 0.00 175.76 175.10 1n59 s LEU 206 N 1.34 2.32 -1.73 0.00 1.43 0.13 -2.25 118.68 119.91 1n59 s LEU 206 Ca -0.01 -1.35 -0.19 0.00 -1.03 0.00 0.00 54.13 51.55 1n59 s LEU 206 Cb -0.14 -0.48 0.17 0.00 0.03 0.00 0.00 46.19 45.77 1n59 s LEU 206 CO -0.05 -0.55 0.74 0.61 0.23 0.00 0.00 176.35 177.33 1n59 n GLY 207 N -0.71 -0.43 3.80 -3.19 0.00 -1.20 -2.18 105.19 101.28 1n59 n GLY 207 Ca -0.03 0.12 -0.23 0.00 0.00 0.00 0.00 46.02 45.88 1n59 n GLY 207 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 1n59 s PHE 208 N -3.31 3.08 -0.29 1.61 -0.12 -1.04 -4.43 117.98 113.48 1n59 s PHE 208 Ca 0.74 -0.10 -0.07 0.00 -0.05 0.00 0.00 56.93 57.44 1n59 s PHE 208 Cb -0.41 -1.41 0.14 0.00 -0.63 0.00 0.00 43.02 40.71 1n59 s PHE 208 CO 0.94 0.53 0.60 -0.47 -0.05 0.00 0.00 175.22 176.77 1n59 s TYR 209 N -2.05 -1.32 0.62 3.49 6.14 -0.45 0.04 117.35 123.81 1n59 s TYR 209 Ca 0.32 2.06 -0.19 0.00 0.64 0.00 0.00 57.07 59.90 1n59 s TYR 209 Cb -0.08 0.67 -0.02 0.00 0.42 0.00 0.00 41.96 42.94 1n59 s TYR 209 CO 0.24 -0.69 1.26 -2.14 0.64 0.00 0.00 175.55 174.86 1n59 s PRO 210 N 2.84 2.76 0.53 4.97 0.02 -1.26 -2.10 135.00 142.77 1n59 s PRO 210 Ca 0.01 1.98 0.36 0.00 0.02 0.00 0.00 61.00 63.37 1n59 s PRO 210 Cb -0.13 -1.91 1.84 0.00 0.02 0.00 0.00 34.50 34.32 1n59 s PRO 210 CO -0.19 -1.41 2.09 0.00 -0.33 0.00 0.00 177.00 177.16 1n59 h ALA 211 N 0.75 1.00 -1.96 -1.55 0.00 -1.94 -3.43 119.26 112.13 1n59 h ALA 211 Ca -0.51 0.00 -0.57 0.00 0.00 0.00 0.00 54.91 53.83 1n59 h ALA 211 Cb 1.32 0.00 -0.05 0.00 0.00 0.00 0.00 17.79 19.06 1n59 h ALA 211 CO 0.54 0.00 0.92 0.34 0.00 0.00 0.00 179.25 181.05 1n59 s ASP 212 N -4.91 6.78 0.03 0.00 2.15 -1.26 -4.97 116.67 114.49 1n59 s ASP 212 Ca -0.03 1.17 -0.16 0.00 0.43 0.00 0.00 52.55 53.97 1n59 s ASP 212 Cb 0.10 -2.54 0.03 0.00 -0.30 0.00 0.00 42.92 40.21 1n59 s ASP 212 CO 0.38 -0.99 0.35 -0.51 -0.17 0.00 0.00 175.17 174.23 1n59 s ILE 213 N 4.07 0.07 -0.01 4.11 2.07 -1.26 -4.40 121.20 125.85 1n59 s ILE 213 Ca 0.52 -0.55 0.07 0.00 -1.41 0.00 0.00 60.65 59.28 1n59 s ILE 213 Cb -0.15 -0.90 -0.02 0.00 0.13 0.00 0.00 42.46 41.52 1n59 s ILE 213 CO 0.20 -0.30 -0.21 -0.89 -1.91 0.00 0.00 174.94 171.83 1n59 s THR 214 N -2.31 1.66 -0.06 4.00 2.01 0.28 -4.95 115.64 116.28 1n59 s THR 214 Ca -0.06 -0.93 0.02 0.00 0.31 0.00 0.00 61.69 61.02 1n59 s THR 214 Cb -0.01 -1.39 0.02 0.00 0.01 0.00 0.00 72.50 71.12 1n59 s THR 214 CO -0.02 0.44 -0.09 -0.76 -0.69 0.00 0.00 174.62 173.50 1n59 s LEU 215 N -0.56 1.54 0.04 4.42 1.43 -1.25 -0.31 118.68 123.97 1n59 s LEU 215 Ca 0.08 -0.24 -0.00 0.00 -1.03 0.00 0.00 54.13 52.94 1n59 s LEU 215 Cb -0.08 -0.69 -0.03 0.00 0.03 0.00 0.00 46.19 45.41 1n59 s LEU 215 CO -0.01 0.00 -0.03 0.42 0.23 0.00 0.00 176.35 176.96 1n59 s THR 216 N 0.75 0.22 -0.15 5.49 -4.23 -0.64 -4.95 115.64 112.13 1n59 s THR 216 Ca -0.13 -1.44 -0.04 0.00 -1.18 0.00 0.00 61.69 58.90 1n59 s THR 216 Cb -0.15 -1.00 -0.03 0.00 1.34 0.00 0.00 72.50 72.66 1n59 s THR 216 CO 0.02 -0.77 -0.03 0.26 -0.54 0.00 0.00 174.62 173.56 1n59 s TRP 217 N -2.84 3.04 0.04 3.99 0.52 -1.26 0.13 118.94 122.55 1n59 s TRP 217 Ca -0.02 -0.25 0.08 0.00 0.02 0.00 0.00 56.10 55.92 1n59 s TRP 217 Cb 0.00 -1.95 -0.03 0.00 -1.15 0.00 0.00 33.47 30.35 1n59 s TRP 217 CO -0.06 0.00 -0.22 -0.65 0.02 0.00 0.00 176.95 176.05 1n59 s GLN 218 N 0.27 1.47 -0.17 4.98 -0.21 0.41 -1.37 119.66 125.03 1n59 s GLN 218 Ca -0.03 -0.98 -0.00 0.00 0.02 0.00 0.00 55.36 54.37 1n59 s GLN 218 Cb -0.14 -1.60 0.04 0.00 1.00 0.00 0.00 33.01 32.32 1n59 s GLN 218 CO 0.03 0.41 -0.05 -1.17 -2.12 0.00 0.00 175.29 172.39 1n59 s LEU 219 N -1.20 1.67 -1.28 2.90 2.96 -0.82 -1.24 118.68 121.66 1n59 s LEU 219 Ca 0.08 -0.71 -0.04 0.00 -0.22 0.00 0.00 54.13 53.24 1n59 s LEU 219 Cb -0.09 -0.92 0.03 0.00 0.50 0.00 0.00 46.19 45.71 1n59 s LEU 219 CO 0.02 -0.19 0.30 0.59 -1.32 0.00 0.00 176.35 175.75 1n59 n ASN 220 N 4.87 -4.39 0.00 3.68 5.03 -1.26 -2.15 115.26 121.03 1n59 n ASN 220 Ca -0.12 -0.13 0.00 0.00 0.87 0.00 0.00 54.58 55.20 1n59 n ASN 220 Cb 0.47 -3.65 0.00 0.00 -1.02 0.00 0.00 39.78 35.59 1n59 n ASN 220 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 1n59 n GLY 221 N -1.10 0.70 3.27 7.41 0.00 -1.26 -5.05 105.19 109.16 1n59 n GLY 221 Ca -0.10 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.60 1n59 n GLY 221 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 1n59 s GLU 222 N -0.62 3.17 -0.11 1.61 -1.05 -0.92 -5.10 118.70 115.68 1n59 s GLU 222 Ca 0.00 -0.81 -0.30 0.00 -0.15 0.00 0.00 54.97 53.71 1n59 s GLU 222 Cb 0.00 -2.42 -0.02 0.00 -0.44 0.00 0.00 34.13 31.25 1n59 s GLU 222 CO 0.00 0.19 1.16 -1.21 0.95 0.00 0.00 175.26 176.36 1n59 s GLU 223 N 0.34 4.33 -0.15 -4.83 2.02 -1.26 -1.95 118.70 117.19 1n59 s GLU 223 Ca -0.16 1.59 -0.00 0.00 0.02 0.00 0.00 54.97 56.42 1n59 s GLU 223 Cb -0.17 -3.61 0.11 0.00 0.10 0.00 0.00 34.13 30.56 1n59 s GLU 223 CO 0.08 -0.50 1.95 1.28 0.02 0.00 0.00 175.26 178.09 1n59 n LEU 224 N 5.60 5.76 -0.55 1.80 4.32 -0.47 -4.69 117.00 128.77 1n59 n LEU 224 Ca 0.11 -2.79 0.44 0.00 -0.02 0.00 0.00 56.01 53.76 1n59 n LEU 224 Cb 0.46 -1.06 0.74 0.00 -1.62 0.00 0.00 43.42 41.94 1n59 n LEU 224 CO 0.54 1.08 1.35 0.40 -1.22 0.00 0.00 177.39 179.54 1n59 h ILE 225 N 0.95 0.07 0.06 -0.08 2.04 -1.91 -1.68 117.51 116.95 1n59 h ILE 225 Ca 0.14 -0.01 -0.25 0.00 1.00 0.00 0.00 64.86 65.75 1n59 h ILE 225 Cb 0.99 0.04 -0.02 0.00 -0.74 0.00 0.00 36.82 37.09 1n59 h ILE 225 CO 0.37 0.01 -1.18 1.56 0.00 0.00 0.00 178.15 178.90 1n59 h GLN 226 N 0.03 0.12 -1.89 2.37 4.20 -1.99 -3.31 115.11 114.64 1n59 h GLN 226 Ca 0.87 -0.21 -0.72 0.00 0.06 0.00 0.00 58.65 58.64 1n59 h GLN 226 Cb 3.10 0.08 -0.31 0.00 0.30 0.00 0.00 27.48 30.65 1n59 h GLN 226 CO -0.23 1.06 0.55 -0.25 -0.67 0.00 0.00 178.83 179.29 1n59 n ASP 227 N -3.41 6.70 -4.01 1.46 9.92 -0.63 -4.95 116.55 121.63 1n59 n ASP 227 Ca -0.06 -3.80 -0.22 0.00 -0.53 0.00 0.00 54.79 50.19 1n59 n ASP 227 Cb 0.99 -0.90 -0.09 0.00 -0.64 0.00 0.00 41.12 40.48 1n59 n ASP 227 CO 0.00 0.00 0.00 -0.32 0.13 0.00 0.00 177.20 177.01 1n59 s MET 228 N -3.94 1.75 -0.26 -1.24 1.75 -1.23 -4.40 119.30 111.73 1n59 s MET 228 Ca 0.50 -2.03 -0.18 0.00 -1.25 0.00 0.00 55.69 52.73 1n59 s MET 228 Cb 0.41 -0.32 0.07 0.00 2.84 0.00 0.00 34.83 37.83 1n59 s MET 228 CO -0.34 -0.46 0.67 -2.00 -0.65 0.00 0.00 175.02 172.24 1n59 s GLU 229 N -3.74 0.72 0.28 4.11 2.12 -0.34 -4.97 118.70 116.88 1n59 s GLU 229 Ca 0.31 1.10 -0.01 0.00 0.36 0.00 0.00 54.97 56.74 1n59 s GLU 229 Cb 0.04 0.22 -0.02 0.00 0.26 0.00 0.00 34.13 34.63 1n59 s GLU 229 CO 0.17 -0.13 0.31 -0.48 -0.54 0.00 0.00 175.26 174.59 1n59 s LEU 230 N 1.17 1.17 -0.04 2.70 2.34 -1.26 0.19 118.68 124.95 1n59 s LEU 230 Ca -0.06 -1.46 0.04 0.00 0.06 0.00 0.00 54.13 52.70 1n59 s LEU 230 Cb -0.05 0.91 -0.00 0.00 -0.56 0.00 0.00 46.19 46.48 1n59 s LEU 230 CO -0.12 -1.07 -0.14 0.68 -1.06 0.00 0.00 176.35 174.65 1n59 s VAL 231 N -3.64 1.18 -0.07 1.48 -7.23 -1.13 -5.01 120.40 105.97 1n59 s VAL 231 Ca 0.35 -0.58 -0.39 0.00 -1.81 0.00 0.00 61.98 59.55 1n59 s VAL 231 Cb 0.03 -1.03 -0.17 0.00 0.56 0.00 0.00 36.38 35.77 1n59 s VAL 231 CO 0.18 0.35 1.41 -0.62 -0.31 0.00 0.00 175.10 176.11 1n59 n GLU 232 N 3.21 0.83 -1.12 4.82 1.02 -1.26 -4.58 120.64 123.56 1n59 n GLU 232 Ca -0.18 0.30 -0.36 0.00 -0.02 0.00 0.00 57.16 56.90 1n59 n GLU 232 Cb 0.53 -1.91 -0.00 0.00 -0.02 0.00 0.00 31.44 30.04 1n59 n GLU 232 CO 0.00 0.00 0.00 2.41 1.18 0.00 0.00 177.13 180.72 1n59 n THR 233 N 2.97 0.64 -4.00 2.62 -1.04 -1.26 -4.97 114.28 109.24 1n59 n THR 233 Ca 0.22 -0.43 -0.09 0.00 -2.04 0.00 0.00 64.05 61.71 1n59 n THR 233 Cb 0.13 0.00 -0.10 0.00 -1.82 0.00 0.00 70.33 68.54 1n59 n THR 233 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1n59 s ARG 234 N -0.86 0.44 0.34 -2.82 1.70 -0.29 -4.95 118.95 112.50 1n59 s ARG 234 Ca 0.51 -0.79 -0.27 0.00 -0.47 0.00 0.00 55.73 54.71 1n59 s ARG 234 Cb -0.57 0.16 -0.09 0.00 -0.57 0.00 0.00 34.95 33.88 1n59 s ARG 234 CO 0.53 -0.08 1.13 -1.25 -1.08 0.00 0.00 175.30 174.55 1n59 s PRO 235 N -2.28 4.38 -0.11 3.89 0.04 -1.26 -1.40 135.00 138.25 1n59 s PRO 235 Ca -0.08 1.80 0.15 0.00 0.04 0.00 0.00 61.00 62.91 1n59 s PRO 235 Cb -0.04 -2.94 0.53 0.00 0.04 0.00 0.00 34.50 32.10 1n59 s PRO 235 CO -0.04 -0.02 1.45 0.00 0.04 0.00 0.00 177.00 178.43 1n59 n ALA 236 N 0.65 2.84 -0.83 8.56 0.00 -0.24 -4.88 120.51 126.61 1n59 n ALA 236 Ca 0.01 -1.78 0.00 0.00 0.00 0.00 0.00 53.44 51.68 1n59 n ALA 236 Cb 0.46 -0.73 0.00 0.00 0.00 0.00 0.00 19.45 19.18 1n59 n ALA 236 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1n59 n GLY 237 N 0.26 0.87 0.10 0.00 0.00 -1.26 -4.84 105.19 100.32 1n59 n GLY 237 Ca 0.20 0.00 0.02 0.00 0.00 0.00 0.00 46.02 46.24 1n59 n GLY 237 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 1n59 n ASP 238 N 0.00 0.97 0.00 1.61 5.68 -1.26 -5.00 116.55 118.55 1n59 n ASP 238 Ca 0.00 -1.80 0.00 0.00 -0.50 0.00 0.00 54.79 52.49 1n59 n ASP 238 Cb 0.00 -0.10 0.00 0.00 -1.14 0.00 0.00 41.12 39.88 1n59 n ASP 238 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1n59 n GLY 239 N -0.37 0.82 3.57 6.12 0.00 -1.26 -5.09 105.19 108.98 1n59 n GLY 239 Ca 0.02 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.78 1n59 n GLY 239 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1n59 s THR 240 N -2.09 1.84 0.47 2.61 -4.23 -1.26 -4.88 115.64 108.10 1n59 s THR 240 Ca 0.00 -2.02 0.04 0.00 -1.18 0.00 0.00 61.69 58.53 1n59 s THR 240 Cb 0.00 -2.90 -0.04 0.00 1.34 0.00 0.00 72.50 70.90 1n59 s THR 240 CO 0.00 -0.03 0.04 -0.36 -0.54 0.00 0.00 174.62 173.73 1n59 s PHE 241 N -2.83 2.14 0.12 3.99 0.40 0.11 -1.08 117.98 120.82 1n59 s PHE 241 Ca 0.35 -0.82 -0.22 0.00 -0.60 0.00 0.00 56.93 55.64 1n59 s PHE 241 Cb 0.09 -1.71 0.06 0.00 0.51 0.00 0.00 43.02 41.96 1n59 s PHE 241 CO 0.17 0.27 0.54 1.14 0.70 0.00 0.00 175.22 178.04 1n59 s GLN 242 N -3.84 1.17 0.02 0.44 -2.07 -0.49 -2.51 119.66 112.37 1n59 s GLN 242 Ca 0.20 -0.44 -0.21 0.00 -1.82 0.00 0.00 55.36 53.09 1n59 s GLN 242 Cb 0.05 0.53 0.05 0.00 -1.09 0.00 0.00 33.01 32.54 1n59 s GLN 242 CO 0.11 -0.48 0.48 0.21 -1.32 0.00 0.00 175.29 174.29 1n59 s LYS 243 N -3.37 0.94 0.01 9.60 2.20 -0.95 -1.14 119.74 127.03 1n59 s LYS 243 Ca -0.00 -0.17 0.00 0.00 -0.36 0.00 0.00 55.97 55.44 1n59 s LYS 243 Cb -0.00 0.43 -0.01 0.00 -1.51 0.00 0.00 37.83 36.74 1n59 s LYS 243 CO -0.09 -0.31 -0.02 1.67 -0.36 0.00 0.00 175.35 176.24 1n59 s TRP 244 N -2.01 0.15 -0.02 4.03 1.48 -1.26 -1.16 118.94 120.16 1n59 s TRP 244 Ca -0.08 -0.25 0.01 0.00 -1.06 0.00 0.00 56.10 54.71 1n59 s TRP 244 Cb -0.01 -0.11 0.01 0.00 -1.16 0.00 0.00 33.47 32.20 1n59 s TRP 244 CO 0.01 -0.09 -0.01 0.00 -4.06 0.00 0.00 176.95 172.81 1n59 s ALA 245 N -0.69 0.27 0.38 2.67 0.00 -0.82 -2.84 121.76 120.73 1n59 s ALA 245 Ca -0.07 0.04 0.06 0.00 0.00 0.00 0.00 51.96 51.98 1n59 s ALA 245 Cb -0.05 -0.19 -0.07 0.00 0.00 0.00 0.00 23.12 22.81 1n59 s ALA 245 CO -0.00 -0.01 0.03 -1.54 0.00 0.00 0.00 175.76 174.23 1n59 s SER 246 N 0.51 3.35 -0.21 0.00 1.04 0.52 -0.19 113.70 118.72 1n59 s SER 246 Ca -0.05 -1.39 -0.22 0.00 0.48 0.00 0.00 55.95 54.77 1n59 s SER 246 Cb -0.08 -0.24 0.06 0.00 0.10 0.00 0.00 66.02 65.86 1n59 s SER 246 CO -0.01 -0.53 0.61 0.54 0.98 0.00 0.00 173.24 174.83 1n59 s VAL 247 N -2.93 0.00 -0.20 5.02 0.11 -0.02 -1.19 120.40 121.19 1n59 s VAL 247 Ca 0.34 -0.02 -0.16 0.00 -2.93 0.00 0.00 61.98 59.22 1n59 s VAL 247 Cb 0.09 -0.86 -0.04 0.00 -1.53 0.00 0.00 36.38 34.04 1n59 s VAL 247 CO 0.17 -0.01 0.41 -0.69 -3.33 0.00 0.00 175.10 171.65 1n59 s VAL 248 N 0.14 5.19 0.15 2.04 1.01 -1.26 -1.01 120.40 126.65 1n59 s VAL 248 Ca -0.01 0.74 0.06 0.00 0.00 0.00 0.00 61.98 62.76 1n59 s VAL 248 Cb -0.04 -3.74 -0.04 0.00 0.00 0.00 0.00 36.38 32.56 1n59 s VAL 248 CO 0.02 0.24 -0.13 0.68 0.00 0.00 0.00 175.10 175.91 1n59 s VAL 249 N 1.35 1.34 0.44 2.92 -7.23 0.67 -4.92 120.40 114.97 1n59 s VAL 249 Ca 0.20 -1.93 -0.24 0.00 -1.81 0.00 0.00 61.98 58.19 1n59 s VAL 249 Cb -0.15 -1.73 -0.08 0.00 0.56 0.00 0.00 36.38 34.98 1n59 s VAL 249 CO 0.08 -0.57 1.26 -2.16 -0.31 0.00 0.00 175.10 173.40 1n59 s PRO 250 N -3.23 3.78 0.41 4.82 0.04 -1.26 -0.89 135.00 138.66 1n59 s PRO 250 Ca 0.14 2.02 -0.27 0.00 0.04 0.00 0.00 61.00 62.93 1n59 s PRO 250 Cb -0.01 -2.56 -0.10 0.00 0.04 0.00 0.00 34.50 31.86 1n59 s PRO 250 CO 0.03 -0.61 1.47 -1.17 0.04 0.00 0.00 177.00 176.76 1n59 s LEU 251 N -2.79 4.23 0.00 -3.56 2.96 -1.00 -2.30 118.68 116.22 1n59 s LEU 251 Ca 0.61 3.01 0.00 0.00 -0.22 0.00 0.00 54.13 57.53 1n59 s LEU 251 Cb -0.35 -3.77 0.00 0.00 0.50 0.00 0.00 46.19 42.57 1n59 s LEU 251 CO 0.43 -1.00 0.00 0.61 -1.32 0.00 0.00 176.35 175.07 1n59 n GLY 252 N 0.50 2.99 2.22 7.98 0.00 -1.26 -4.82 105.19 112.80 1n59 n GLY 252 Ca 0.03 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.77 1n59 n GLY 252 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1n59 n LYS 253 N -2.00 3.33 -0.01 1.61 5.02 -0.97 -4.74 118.16 120.40 1n59 n LYS 253 Ca 0.00 -3.99 0.07 0.00 -2.02 0.00 0.00 58.31 52.37 1n59 n LYS 253 Cb 0.00 -2.28 -0.14 0.00 -0.02 0.00 0.00 35.03 32.60 1n59 n LYS 253 CO 0.00 0.00 0.00 -0.85 -0.52 0.00 0.00 177.40 176.03 1n59 n GLU 254 N -0.71 0.65 0.00 1.97 0.00 -1.26 -4.02 120.64 117.28 1n59 n GLU 254 Ca 0.48 -0.09 0.09 0.00 0.00 0.00 0.00 57.16 57.64 1n59 n GLU 254 Cb 0.80 -1.59 0.54 0.00 0.00 0.00 0.00 31.44 31.19 1n59 n GLU 254 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.13 178.17 1n59 n GLN 255 N -2.45 0.49 0.00 3.44 3.00 -1.26 -1.17 117.38 119.43 1n59 n GLN 255 Ca -0.09 0.04 0.14 0.00 -0.01 0.00 0.00 57.00 57.08 1n59 n GLN 255 Cb 0.69 -1.50 0.60 0.00 0.00 0.00 0.00 30.24 30.02 1n59 n GLN 255 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.06 177.72 1n59 n TYR 256 N -1.10 0.00 -4.95 1.08 4.01 -1.26 -4.84 117.16 110.10 1n59 n TYR 256 Ca 0.13 0.00 -0.32 0.00 -0.16 0.00 0.00 57.90 57.54 1n59 n TYR 256 Cb 0.09 -0.05 -0.14 0.00 -0.31 0.00 0.00 39.34 38.93 1n59 n TYR 256 CO 0.00 0.00 0.00 0.71 -0.46 0.00 0.00 176.86 177.11 1n59 s TYR 257 N -2.16 2.66 0.18 -0.72 1.51 -0.32 -4.12 117.35 114.39 1n59 s TYR 257 Ca 0.36 -0.42 0.08 0.00 -1.01 0.00 0.00 57.07 56.08 1n59 s TYR 257 Cb 0.21 -1.68 -0.04 0.00 -0.11 0.00 0.00 41.96 40.34 1n59 s TYR 257 CO 0.39 -0.02 -0.16 0.95 -1.11 0.00 0.00 175.55 175.60 1n59 s THR 258 N -0.30 1.77 -0.02 -0.71 -4.23 -0.37 -4.59 115.64 107.19 1n59 s THR 258 Ca 0.02 -2.03 0.00 0.00 -1.18 0.00 0.00 61.69 58.50 1n59 s THR 258 Cb -0.13 -1.91 -0.04 0.00 1.34 0.00 0.00 72.50 71.77 1n59 s THR 258 CO 0.03 -0.43 0.02 0.00 -0.54 0.00 0.00 174.62 173.70 1n59 s HIS 260 N -1.08 2.05 -0.23 0.00 3.76 0.12 -1.26 115.29 118.65 1n59 s HIS 260 Ca 0.19 -1.15 -0.05 0.00 -0.15 0.00 0.00 55.06 53.90 1n59 s HIS 260 Cb -0.12 -1.53 -0.01 0.00 1.11 0.00 0.00 32.58 32.03 1n59 s HIS 260 CO 0.10 -0.64 0.00 0.08 -0.85 0.00 0.00 174.74 173.43 1n59 s VAL 261 N 1.53 3.73 -0.36 -0.90 1.01 -0.32 -1.62 120.40 123.47 1n59 s VAL 261 Ca 0.05 -0.39 -0.07 0.00 0.00 0.00 0.00 61.98 61.56 1n59 s VAL 261 Cb -0.13 -2.73 0.05 0.00 0.00 0.00 0.00 36.38 33.57 1n59 s VAL 261 CO -0.10 0.38 0.15 -0.31 0.00 0.00 0.00 175.10 175.22 1n59 s TYR 262 N 1.53 3.29 0.05 5.22 2.02 0.57 -1.37 117.35 128.66 1n59 s TYR 262 Ca 0.06 -1.48 -0.03 0.00 -0.37 0.00 0.00 57.07 55.25 1n59 s TYR 262 Cb -0.15 -2.50 -0.03 0.00 -0.40 0.00 0.00 41.96 38.89 1n59 s TYR 262 CO -0.01 -0.77 0.02 -1.58 -1.57 0.00 0.00 175.55 171.65 1n59 s HIS 263 N 1.40 0.38 0.36 2.71 2.46 -1.26 -0.56 115.29 120.79 1n59 s HIS 263 Ca 0.00 -0.84 0.09 0.00 0.47 0.00 0.00 55.06 54.78 1n59 s HIS 263 Cb -0.20 -0.28 0.82 0.00 -0.13 0.00 0.00 32.58 32.79 1n59 s HIS 263 CO 0.02 -0.38 1.89 0.37 -2.47 0.00 0.00 174.74 174.18 1n59 h GLN 264 N 3.37 0.66 -0.45 2.88 4.15 -1.93 0.19 115.11 123.97 1n59 h GLN 264 Ca -0.33 -0.04 0.00 0.00 0.77 0.00 0.00 58.65 59.05 1n59 h GLN 264 Cb 1.16 -0.15 0.00 0.00 0.21 0.00 0.00 27.48 28.71 1n59 h GLN 264 CO 0.59 0.44 0.00 0.41 -1.93 0.00 0.00 178.83 178.34 1n59 n GLY 265 N -1.45 0.99 3.08 2.39 0.00 -1.26 -4.65 105.19 104.30 1n59 n GLY 265 Ca 0.16 -0.40 -0.35 0.00 0.00 0.00 0.00 46.02 45.42 1n59 n GLY 265 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1n59 s LEU 266 N -1.07 5.09 0.35 0.99 1.43 0.05 -4.73 118.68 120.79 1n59 s LEU 266 Ca 0.25 -2.32 0.08 0.00 -1.03 0.00 0.00 54.13 51.10 1n59 s LEU 266 Cb 0.14 -1.78 0.77 0.00 0.03 0.00 0.00 46.19 45.35 1n59 s LEU 266 CO 0.15 -0.45 1.89 -0.65 0.23 0.00 0.00 176.35 177.51 1n59 h PRO 267 N 7.62 0.72 -4.77 1.29 0.11 -1.82 -3.37 132.00 131.77 1n59 h PRO 267 Ca -0.09 -0.04 -0.64 0.00 0.11 0.00 0.00 66.00 65.34 1n59 h PRO 267 Cb 1.01 -0.16 -0.36 0.00 0.11 0.00 0.00 31.00 31.59 1n59 h PRO 267 CO 0.67 0.47 -0.82 -1.21 -0.21 0.00 0.00 178.00 176.91 1n59 s GLU 268 N -5.70 2.33 0.12 1.05 2.02 -1.26 -5.08 118.70 112.17 1n59 s GLU 268 Ca -0.10 -0.97 -0.34 0.00 0.02 0.00 0.00 54.97 53.58 1n59 s GLU 268 Cb 0.21 -2.57 -0.18 0.00 0.10 0.00 0.00 34.13 31.69 1n59 s GLU 268 CO 0.79 -0.41 0.93 -2.30 0.02 0.00 0.00 175.26 174.29 1n59 n PRO 269 N 4.60 0.37 -2.18 0.39 -0.02 -1.26 -4.84 135.00 132.07 1n59 n PRO 269 Ca -0.16 0.13 -0.38 0.00 -2.02 0.00 0.00 63.50 61.07 1n59 n PRO 269 Cb 0.46 -1.48 -0.00 0.00 -0.02 0.00 0.00 33.50 32.46 1n59 n PRO 269 CO 0.00 0.00 0.00 -0.51 1.98 0.00 0.00 175.50 176.97 1n59 s LEU 270 N 1.13 4.04 -0.18 2.45 1.43 -0.47 -4.81 118.68 122.27 1n59 s LEU 270 Ca 0.77 2.41 -0.03 0.00 -1.03 0.00 0.00 54.13 56.25 1n59 s LEU 270 Cb -1.03 -4.17 0.06 0.00 0.03 0.00 0.00 46.19 41.08 1n59 s LEU 270 CO 0.55 -0.95 0.04 -0.89 0.23 0.00 0.00 176.35 175.32 1n59 s THR 271 N -1.46 0.48 0.13 5.49 2.01 -1.26 -1.18 115.64 119.86 1n59 s THR 271 Ca 0.63 -0.48 0.04 0.00 0.31 0.00 0.00 61.69 62.18 1n59 s THR 271 Cb -0.32 -0.97 -0.04 0.00 0.01 0.00 0.00 72.50 71.18 1n59 s THR 271 CO 0.39 -0.17 -0.09 -1.48 -0.69 0.00 0.00 174.62 172.57 1n59 s LEU 272 N 1.88 2.52 0.38 4.42 0.05 -0.39 -4.90 118.68 122.65 1n59 s LEU 272 Ca -0.00 -1.00 0.06 0.00 0.05 0.00 0.00 54.13 53.23 1n59 s LEU 272 Cb -0.17 -0.28 -0.02 0.00 -2.05 0.00 0.00 46.19 43.67 1n59 s LEU 272 CO -0.08 -0.36 0.22 0.00 -0.55 0.00 0.00 176.35 175.58 1n59 s ARG 273 N -3.73 1.89 0.54 1.48 1.70 -1.26 0.18 118.95 119.74 1n59 s ARG 273 Ca 0.15 -2.14 -0.19 0.00 -0.47 0.00 0.00 55.73 53.08 1n59 s ARG 273 Cb 0.03 -0.11 -0.06 0.00 -0.57 0.00 0.00 34.95 34.24 1n59 s ARG 273 CO -0.01 -0.60 1.10 -0.46 -1.08 0.00 0.00 175.30 174.25 1n59 s TRP 274 N -3.29 2.76 -0.64 5.89 -0.00 -1.26 -4.73 118.94 117.67 1n59 s TRP 274 Ca 0.31 1.55 0.02 0.00 -0.00 0.00 0.00 56.10 57.98 1n59 s TRP 274 Cb 0.02 -3.21 0.16 0.00 -0.00 0.00 0.00 33.47 30.43 1n59 s TRP 274 CO 0.22 -1.38 0.43 -2.00 -0.00 0.00 0.00 176.95 174.21 1n59 s GLU 275 N -3.37 2.40 0.00 5.86 2.12 -1.26 -5.00 118.70 119.45 1n59 s GLU 275 Ca 0.71 -2.87 0.00 0.00 0.36 0.00 0.00 54.97 53.16 1n59 s GLU 275 Cb -0.21 -3.52 0.00 0.00 0.26 0.00 0.00 34.13 30.65 1n59 s GLU 275 CO 0.27 -1.19 0.00 -2.30 -0.54 0.00 0.00 175.26 171.50