#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1r9s n THR 3 N 0.00 0.10 -2.89 12.58 -1.04 -1.26 -4.90 114.28 116.86 1r9s n THR 3 Ca 0.00 -0.32 -0.20 0.00 -2.04 0.00 0.00 64.05 61.49 1r9s n THR 3 Cb 0.00 -1.68 0.02 0.00 -1.82 0.00 0.00 70.33 66.85 1r9s n THR 3 CO 0.00 0.00 0.00 0.72 -0.64 0.00 0.00 175.07 175.15 1r9s s PHE 4 N 8.59 2.92 0.17 -1.42 -0.12 -1.26 -5.04 117.98 121.82 1r9s s PHE 4 Ca 1.12 -0.12 0.08 0.00 -0.05 0.00 0.00 56.93 57.96 1r9s s PHE 4 Cb -0.79 -2.49 -0.04 0.00 -0.63 0.00 0.00 43.02 39.06 1r9s s PHE 4 CO 0.44 -0.57 -0.16 0.50 -0.05 0.00 0.00 175.22 175.39 1r9s s ARG 5 N -4.54 1.25 0.22 1.99 3.52 -1.26 -5.10 118.95 115.02 1r9s s ARG 5 Ca 0.54 -1.44 0.07 0.00 -0.13 0.00 0.00 55.73 54.77 1r9s s ARG 5 Cb -0.10 -1.17 -0.04 0.00 -1.56 0.00 0.00 34.95 32.08 1r9s s ARG 5 CO 0.36 0.22 0.08 -0.06 -0.81 0.00 0.00 175.30 175.09 1r9s s PHE 6 N -2.40 2.94 0.16 5.12 2.99 -1.26 -2.32 117.98 123.20 1r9s s PHE 6 Ca 0.17 -0.13 -0.30 0.00 0.00 0.00 0.00 56.93 56.66 1r9s s PHE 6 Cb -0.04 -1.35 -0.07 0.00 0.00 0.00 0.00 43.02 41.56 1r9s s PHE 6 CO 0.06 0.55 1.08 0.00 -0.00 0.00 0.00 175.22 176.91 1r9s n ARG 8 N 2.51 2.04 0.00 0.00 1.85 -1.26 -1.50 116.66 120.29 1r9s n ARG 8 Ca 0.03 0.00 0.00 0.00 -1.00 0.00 0.00 57.85 56.88 1r9s n ARG 8 Cb 0.47 0.00 0.00 0.00 -1.05 0.00 0.00 32.46 31.88 1r9s n ARG 8 CO 0.00 0.00 0.00 -0.25 -0.01 0.00 0.00 177.63 177.37 1r9s n ASP 9 N 0.00 0.00 0.00 2.89 8.00 -1.26 -1.48 116.55 124.70 1r9s n ASP 9 Ca 0.00 0.00 0.07 0.00 0.71 0.00 0.00 54.79 55.57 1r9s n ASP 9 Cb 0.00 0.00 0.35 0.00 -0.02 0.00 0.00 41.12 41.45 1r9s n ASP 9 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1r9s n ASN 11 N -1.38 -2.91 -3.18 0.00 5.15 -0.55 -4.97 115.26 107.41 1r9s n ASN 11 Ca 0.05 0.14 -0.10 0.00 -0.60 0.00 0.00 54.58 54.08 1r9s n ASN 11 Cb 0.14 -2.51 0.05 0.00 -0.53 0.00 0.00 39.78 36.93 1r9s n ASN 11 CO 0.00 0.00 0.00 0.59 1.40 0.00 0.00 177.26 179.25 1r9s n ASN 12 N -1.82 0.71 -4.78 1.20 5.03 -1.26 -4.80 115.26 109.54 1r9s n ASN 12 Ca -0.07 -1.56 -0.39 0.00 0.87 0.00 0.00 54.58 53.43 1r9s n ASN 12 Cb 0.56 -0.26 -0.06 0.00 -1.02 0.00 0.00 39.78 39.00 1r9s n ASN 12 CO 0.00 0.00 0.00 -0.32 -1.83 0.00 0.00 177.26 175.11 1r9s s MET 13 N -3.45 4.58 -0.17 3.52 -2.45 -1.26 -2.26 119.30 117.81 1r9s s MET 13 Ca 0.29 1.17 -0.16 0.00 -1.25 0.00 0.00 55.69 55.74 1r9s s MET 13 Cb -0.02 -3.26 -0.04 0.00 1.25 0.00 0.00 34.83 32.76 1r9s s MET 13 CO 0.19 0.57 0.40 -0.51 1.05 0.00 0.00 175.02 176.72 1r9s s LEU 14 N -1.16 4.21 0.16 4.11 1.43 -0.98 -4.57 118.68 121.88 1r9s s LEU 14 Ca 0.36 0.61 0.03 0.00 -1.03 0.00 0.00 54.13 54.10 1r9s s LEU 14 Cb -0.23 -2.55 -0.03 0.00 0.03 0.00 0.00 46.19 43.41 1r9s s LEU 14 CO 0.27 -0.02 0.29 -0.31 0.23 0.00 0.00 176.35 176.80 1r9s s TYR 15 N 0.95 3.46 0.09 0.29 1.51 -0.65 -4.76 117.35 118.24 1r9s s TYR 15 Ca 0.21 0.09 -0.14 0.00 -1.01 0.00 0.00 57.07 56.22 1r9s s TYR 15 Cb -0.14 -1.65 -0.06 0.00 -0.11 0.00 0.00 41.96 40.00 1r9s s TYR 15 CO 0.08 0.51 0.48 -1.25 -1.11 0.00 0.00 175.55 174.26 1r9s s PRO 16 N -3.32 3.94 0.05 -1.71 0.04 -1.26 0.15 135.00 132.89 1r9s s PRO 16 Ca 0.34 0.43 -0.11 0.00 0.04 0.00 0.00 61.00 61.71 1r9s s PRO 16 Cb -0.11 -3.06 0.01 0.00 0.04 0.00 0.00 34.50 31.38 1r9s s PRO 16 CO 0.28 0.57 0.23 1.03 0.04 0.00 0.00 177.00 179.16 1r9s s ARG 17 N -1.62 0.77 -0.17 4.56 0.52 0.24 -4.93 118.95 118.32 1r9s s ARG 17 Ca 0.32 -0.67 -0.08 0.00 -0.52 0.00 0.00 55.73 54.78 1r9s s ARG 17 Cb -0.16 0.32 -0.04 0.00 0.52 0.00 0.00 34.95 35.59 1r9s s ARG 17 CO 0.17 -0.24 0.11 -2.00 0.02 0.00 0.00 175.30 173.37 1r9s s GLU 18 N -2.89 3.90 -0.84 3.54 2.12 -1.26 -1.65 118.70 121.63 1r9s s GLU 18 Ca -0.03 -0.23 -0.18 0.00 0.36 0.00 0.00 54.97 54.90 1r9s s GLU 18 Cb 0.00 -3.29 0.15 0.00 0.26 0.00 0.00 34.13 31.25 1r9s s GLU 18 CO -0.06 0.43 0.96 0.34 -0.54 0.00 0.00 175.26 176.40 1r9s s ASP 19 N -0.05 6.58 0.56 -1.70 -1.08 -1.03 -4.88 116.67 115.07 1r9s s ASP 19 Ca 0.09 -2.08 0.38 0.00 -0.52 0.00 0.00 52.55 50.42 1r9s s ASP 19 Cb -0.12 -2.34 1.99 0.00 -1.46 0.00 0.00 42.92 41.00 1r9s s ASP 19 CO 0.00 -0.96 2.15 0.11 0.52 0.00 0.00 175.17 176.99 1r9s h LYS 20 N 8.64 0.00 -0.11 4.34 1.57 -1.96 0.27 116.57 129.32 1r9s h LYS 20 Ca 0.06 0.00 -0.07 0.00 -1.87 0.00 0.00 60.65 58.76 1r9s h LYS 20 Cb 1.04 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.35 1r9s h LYS 20 CO 1.02 0.00 -0.22 0.93 -0.57 0.00 0.00 179.45 180.60 1r9s h GLU 21 N 0.00 0.34 -0.12 3.15 5.08 -1.98 -3.36 114.58 117.69 1r9s h GLU 21 Ca 0.00 -0.22 0.00 0.00 -1.00 0.00 0.00 59.36 58.14 1r9s h GLU 21 Cb 0.07 0.03 0.00 0.00 0.50 0.00 0.00 28.75 29.34 1r9s h GLU 21 CO 0.00 0.82 0.00 0.09 -1.00 0.00 0.00 179.01 178.92 1r9s n ASN 22 N -4.50 2.24 -3.14 1.42 3.02 -1.15 -5.06 115.26 108.10 1r9s n ASN 22 Ca -0.07 -1.91 -0.20 0.00 -0.03 0.00 0.00 54.58 52.37 1r9s n ASN 22 Cb 0.43 -0.08 0.02 0.00 -0.61 0.00 0.00 39.78 39.54 1r9s n ASN 22 CO 0.00 0.00 0.00 0.59 -2.62 0.00 0.00 177.26 175.23 1r9s n ASN 23 N -0.07 -6.93 -3.86 6.41 3.02 0.07 -5.05 115.26 108.85 1r9s n ASN 23 Ca 0.04 0.19 -0.09 0.00 -0.03 0.00 0.00 54.58 54.69 1r9s n ASN 23 Cb 0.29 -3.88 -0.05 0.00 -0.61 0.00 0.00 39.78 35.54 1r9s n ASN 23 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1r9s s ARG 24 N -2.67 1.43 -0.14 3.52 1.70 -1.21 -5.00 118.95 116.57 1r9s s ARG 24 Ca 0.28 -1.03 -0.07 0.00 -0.47 0.00 0.00 55.73 54.43 1r9s s ARG 24 Cb -0.05 0.49 -0.04 0.00 -0.57 0.00 0.00 34.95 34.78 1r9s s ARG 24 CO 0.81 -0.60 0.11 -1.17 -1.08 0.00 0.00 175.30 173.38 1r9s s LEU 25 N -2.93 4.20 0.03 -1.89 2.96 -1.26 -2.45 118.68 117.33 1r9s s LEU 25 Ca 0.14 0.33 0.01 0.00 -0.22 0.00 0.00 54.13 54.40 1r9s s LEU 25 Cb -0.01 -2.04 -0.02 0.00 0.50 0.00 0.00 46.19 44.63 1r9s s LEU 25 CO 0.02 0.32 -0.05 -0.76 -1.32 0.00 0.00 176.35 174.56 1r9s s LEU 26 N -0.51 2.21 -0.16 -0.68 1.43 -0.66 -1.32 118.68 118.99 1r9s s LEU 26 Ca 0.12 -0.45 -0.00 0.00 -1.03 0.00 0.00 54.13 52.77 1r9s s LEU 26 Cb -0.12 -0.07 -0.00 0.00 0.03 0.00 0.00 46.19 46.02 1r9s s LEU 26 CO 0.02 -0.19 -0.14 -0.36 0.23 0.00 0.00 176.35 175.90 1r9s s PHE 27 N -1.17 2.80 0.00 0.29 0.40 -0.30 0.79 117.98 120.79 1r9s s PHE 27 Ca -0.10 -0.99 0.07 0.00 -0.60 0.00 0.00 56.93 55.31 1r9s s PHE 27 Cb -0.08 -1.90 -0.02 0.00 0.51 0.00 0.00 43.02 41.53 1r9s s PHE 27 CO -0.00 -0.45 -0.23 -1.83 0.70 0.00 0.00 175.22 173.41 1r9s s GLU 28 N 0.81 1.73 -1.02 0.44 -1.05 0.40 -1.90 118.70 118.11 1r9s s GLU 28 Ca -0.05 -0.87 -0.20 0.00 -0.15 0.00 0.00 54.97 53.70 1r9s s GLU 28 Cb -0.15 -1.74 0.09 0.00 -0.44 0.00 0.00 34.13 31.90 1r9s s GLU 28 CO 0.00 0.47 1.34 0.00 0.95 0.00 0.00 175.26 178.02 1r9s n ARG 30 N 7.62 0.09 -0.09 0.00 1.85 -1.26 -0.78 116.66 124.09 1r9s n ARG 30 Ca 0.31 0.00 -0.14 0.00 -1.00 0.00 0.00 57.85 57.02 1r9s n ARG 30 Cb 0.49 -1.04 -0.14 0.00 -1.05 0.00 0.00 32.46 30.73 1r9s n ARG 30 CO 0.00 0.00 0.00 -2.37 -0.01 0.00 0.00 177.63 175.25 1r9s n THR 31 N 0.26 1.49 0.00 8.89 5.66 -1.26 -4.96 114.28 124.36 1r9s n THR 31 Ca 0.00 -0.72 0.00 0.00 -3.05 0.00 0.00 64.05 60.28 1r9s n THR 31 Cb 0.02 -1.01 0.00 0.00 -1.55 0.00 0.00 70.33 67.79 1r9s n THR 31 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 1r9s n SER 33 N 0.00 0.00 -4.78 0.00 3.41 -1.22 -4.99 113.62 106.04 1r9s n SER 33 Ca 0.00 -0.55 -0.31 0.00 -0.26 0.00 0.00 58.87 57.75 1r9s n SER 33 Cb 0.00 0.00 0.09 0.00 -0.26 0.00 0.00 64.21 64.04 1r9s n SER 33 CO 0.00 0.00 0.00 -0.47 -0.16 0.00 0.00 175.04 174.41 1r9s s TYR 34 N 0.00 2.71 -0.26 7.33 5.04 -1.26 -4.92 117.35 125.99 1r9s s TYR 34 Ca 0.00 1.46 -0.25 0.00 -2.44 0.00 0.00 57.07 55.83 1r9s s TYR 34 Cb 0.00 -3.02 0.08 0.00 0.35 0.00 0.00 41.96 39.37 1r9s s TYR 34 CO 0.00 -1.72 0.79 0.08 -1.34 0.00 0.00 175.55 173.36 1r9s s VAL 35 N -2.96 0.00 0.15 3.14 1.01 -1.26 -2.69 120.40 117.79 1r9s s VAL 35 Ca 0.61 0.00 -0.02 0.00 0.00 0.00 0.00 61.98 62.56 1r9s s VAL 35 Cb -0.16 -1.00 -0.04 0.00 0.00 0.00 0.00 36.38 35.18 1r9s s VAL 35 CO 0.56 0.00 0.11 -1.83 0.00 0.00 0.00 175.10 173.93 1r9s s GLU 36 N 0.22 1.02 0.88 2.72 -1.05 -0.80 -5.02 118.70 116.68 1r9s s GLU 36 Ca -0.00 -1.44 -0.15 0.00 -0.15 0.00 0.00 54.97 53.23 1r9s s GLU 36 Cb -0.05 0.27 0.20 0.00 -0.44 0.00 0.00 34.13 34.12 1r9s s GLU 36 CO 0.00 -0.31 1.17 -0.85 0.95 0.00 0.00 175.26 176.22 1r9s n GLU 37 N -0.15 -1.26 -3.74 -4.83 0.28 -1.26 -1.14 120.64 108.53 1r9s n GLU 37 Ca -0.04 -1.81 -0.36 0.00 -0.16 0.00 0.00 57.16 54.79 1r9s n GLU 37 Cb 0.64 -1.23 -0.07 0.00 1.43 0.00 0.00 31.44 32.21 1r9s n GLU 37 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 177.13 176.97 1r9s s ALA 38 N -3.91 3.76 -0.01 -1.84 0.00 -0.43 -4.43 121.76 114.90 1r9s s ALA 38 Ca 0.67 -0.58 -0.25 0.00 0.00 0.00 0.00 51.96 51.80 1r9s s ALA 38 Cb -0.02 -2.13 -0.18 0.00 0.00 0.00 0.00 23.12 20.79 1r9s s ALA 38 CO 0.47 0.39 1.22 0.78 0.00 0.00 0.00 175.76 178.62 1r9s h GLY 39 N 5.68 -0.23 -2.64 0.00 0.00 -1.97 -3.47 103.07 100.45 1r9s h GLY 39 Ca -0.49 0.08 -0.25 0.00 0.00 0.00 0.00 47.33 46.67 1r9s h GLY 39 CO 0.66 -0.08 -0.63 -1.35 0.00 0.00 0.00 176.54 175.14 1r9s s SER 40 N -5.36 0.57 0.00 0.19 1.04 -1.26 -5.05 113.70 103.83 1r9s s SER 40 Ca -0.14 -1.31 0.26 0.00 0.48 0.00 0.00 55.95 55.24 1r9s s SER 40 Cb 0.02 0.27 1.38 0.00 0.10 0.00 0.00 66.02 67.80 1r9s s SER 40 CO 0.58 -0.75 1.90 -0.81 0.98 0.00 0.00 173.24 175.15 1r9s n PRO 41 N -0.26 0.48 -2.48 4.02 -0.04 -1.26 -4.81 135.00 130.65 1r9s n PRO 41 Ca -0.02 0.03 -0.40 0.00 -0.04 0.00 0.00 63.50 63.07 1r9s n PRO 41 Cb 0.65 -1.50 -0.04 0.00 -0.04 0.00 0.00 33.50 32.57 1r9s n PRO 41 CO 0.00 0.00 0.00 -1.17 -0.04 0.00 0.00 175.50 174.29 1r9s s LEU 42 N -2.44 4.54 0.00 1.53 2.96 -1.26 -4.91 118.68 119.10 1r9s s LEU 42 Ca 0.28 2.24 0.00 0.00 -0.22 0.00 0.00 54.13 56.43 1r9s s LEU 42 Cb 0.18 -3.62 0.00 0.00 0.50 0.00 0.00 46.19 43.25 1r9s s LEU 42 CO 0.38 -0.17 0.00 0.52 -1.32 0.00 0.00 176.35 175.76 1r9s n VAL 43 N 1.48 0.00 -4.22 1.68 0.31 -1.26 -5.01 118.33 111.32 1r9s n VAL 43 Ca -0.00 0.00 -0.20 0.00 -0.01 0.00 0.00 64.34 64.13 1r9s n VAL 43 Cb 0.45 -0.63 -0.12 0.00 -0.91 0.00 0.00 33.84 32.63 1r9s n VAL 43 CO 0.00 0.00 0.00 -0.47 -1.32 0.00 0.00 176.83 175.04 1r9s s TYR 44 N -1.76 1.42 -0.18 3.52 5.04 -1.26 -4.96 117.35 119.17 1r9s s TYR 44 Ca 0.00 -0.47 -0.11 0.00 -2.44 0.00 0.00 57.07 54.05 1r9s s TYR 44 Cb 0.00 -0.78 0.06 0.00 0.35 0.00 0.00 41.96 41.59 1r9s s TYR 44 CO 0.00 0.12 0.44 0.50 -1.34 0.00 0.00 175.55 175.27 1r9s s ARG 45 N -2.02 0.44 -0.07 4.97 6.06 -1.26 -4.97 118.95 122.10 1r9s s ARG 45 Ca 0.03 0.78 -0.09 0.00 -2.50 0.00 0.00 55.73 53.95 1r9s s ARG 45 Cb -0.09 0.05 -0.03 0.00 0.06 0.00 0.00 34.95 34.94 1r9s s ARG 45 CO 0.03 -0.14 -0.18 1.58 -2.50 0.00 0.00 175.30 174.09 1r9s n HIS 46 N 3.94 0.00 -2.17 5.12 -0.00 -1.26 -4.98 115.22 115.87 1r9s n HIS 46 Ca -0.21 0.00 -0.03 0.00 -0.00 0.00 0.00 57.72 57.48 1r9s n HIS 46 Cb 0.56 -0.26 -0.02 0.00 -0.00 0.00 0.00 29.99 30.27 1r9s n HIS 46 CO 0.00 0.00 0.00 0.39 -0.00 0.00 0.00 176.34 176.73 1r9s n GLU 47 N -3.75 -3.47 0.00 1.57 1.02 -1.26 -4.95 120.64 109.81 1r9s n GLU 47 Ca -0.07 2.71 0.03 0.00 -0.02 0.00 0.00 57.16 59.81 1r9s n GLU 47 Cb 0.27 -3.79 -0.11 0.00 -0.02 0.00 0.00 31.44 27.79 1r9s n GLU 47 CO 0.00 0.00 0.00 1.28 1.18 0.00 0.00 177.13 179.59 1r9s n LEU 48 N 1.26 0.42 -4.03 -4.62 4.77 -1.26 -4.62 117.00 108.91 1r9s n LEU 48 Ca -0.20 0.18 -0.31 0.00 -0.03 0.00 0.00 56.01 55.64 1r9s n LEU 48 Cb 0.31 0.12 -0.15 0.00 -2.33 0.00 0.00 43.42 41.37 1r9s n LEU 48 CO 0.19 0.13 -0.38 -0.63 -1.33 0.00 0.00 177.39 175.37 1r9s s ILE 49 N -3.07 2.17 0.17 -0.08 1.01 -1.26 -5.11 121.20 115.03 1r9s s ILE 49 Ca -0.06 -2.01 0.10 0.00 0.00 0.00 0.00 60.65 58.68 1r9s s ILE 49 Cb 0.10 -2.47 -0.04 0.00 0.01 0.00 0.00 42.46 40.06 1r9s s ILE 49 CO 0.84 -0.36 -0.15 -0.89 0.00 0.00 0.00 174.94 174.38 1r9s s THR 50 N 1.02 2.89 -0.08 2.92 2.01 -1.26 -5.02 115.64 118.12 1r9s s THR 50 Ca 0.03 -1.73 0.13 0.00 0.31 0.00 0.00 61.69 60.43 1r9s s THR 50 Cb -0.19 -2.40 -0.19 0.00 0.01 0.00 0.00 72.50 69.73 1r9s s THR 50 CO -0.07 -0.07 0.17 0.59 -0.69 0.00 0.00 174.62 174.55 1r9s n ASN 51 N 0.26 1.73 -4.68 3.53 4.13 -1.26 -4.98 115.26 113.99 1r9s n ASN 51 Ca -0.12 0.00 -0.44 0.00 1.68 0.00 0.00 54.58 55.70 1r9s n ASN 51 Cb 0.55 1.23 -0.04 0.00 -1.54 0.00 0.00 39.78 39.98 1r9s n ASN 51 CO 0.00 0.00 0.00 2.30 0.28 0.00 0.00 177.26 179.84 1r9s n ILE 52 N -2.25 0.32 0.00 2.41 -5.35 -1.26 -2.07 119.36 111.16 1r9s n ILE 52 Ca -0.12 -0.06 0.00 0.00 -0.27 0.00 0.00 62.75 62.30 1r9s n ILE 52 Cb 0.66 -1.95 0.00 0.00 -1.74 0.00 0.00 39.64 36.61 1r9s n ILE 52 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 1r9s n GLY 53 N 4.09 1.43 0.00 3.28 0.00 -1.26 -4.93 105.19 107.80 1r9s n GLY 53 Ca 0.19 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.21 1r9s n GLY 53 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1r9s n GLU 54 N -0.13 0.00 -2.40 1.61 1.02 -0.88 -3.48 120.64 116.39 1r9s n GLU 54 Ca 0.00 0.70 -0.43 0.00 -0.02 0.00 0.00 57.16 57.41 1r9s n GLU 54 Cb 0.00 -1.49 -0.02 0.00 -0.02 0.00 0.00 31.44 29.91 1r9s n GLU 54 CO 0.00 0.00 0.00 0.99 1.18 0.00 0.00 177.13 179.30 1r9s s THR 55 N -2.96 4.08 -0.29 2.62 2.01 -1.26 -2.45 115.64 117.38 1r9s s THR 55 Ca 0.00 1.21 -0.12 0.00 0.31 0.00 0.00 61.69 63.09 1r9s s THR 55 Cb 0.00 -4.14 0.12 0.00 0.01 0.00 0.00 72.50 68.49 1r9s s THR 55 CO 0.00 -0.50 0.70 0.00 -0.69 0.00 0.00 174.62 174.13 1r9s s ALA 56 N 4.56 -2.07 0.00 7.40 0.00 -1.23 -4.89 121.76 125.52 1r9s s ALA 56 Ca 0.58 2.34 0.00 0.00 0.00 0.00 0.00 51.96 54.87 1r9s s ALA 56 Cb -0.17 -1.71 0.00 0.00 0.00 0.00 0.00 23.12 21.24 1r9s s ALA 56 CO 0.25 -0.76 0.00 0.41 0.00 0.00 0.00 175.76 175.65 1r9s n GLY 57 N 5.04 1.13 3.36 0.00 0.00 -1.26 -4.98 105.19 108.47 1r9s n GLY 57 Ca -0.14 -0.47 -0.46 0.00 0.00 0.00 0.00 46.02 44.95 1r9s n GLY 57 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1r9s s VAL 58 N -2.01 5.59 0.23 1.61 1.01 -1.26 -4.93 120.40 120.64 1r9s s VAL 58 Ca 0.00 -2.69 0.06 0.00 0.00 0.00 0.00 61.98 59.35 1r9s s VAL 58 Cb 0.00 -4.59 -0.04 0.00 0.00 0.00 0.00 36.38 31.76 1r9s s VAL 58 CO 0.00 -1.18 0.21 -0.69 0.00 0.00 0.00 175.10 173.44 1r9s s VAL 59 N 0.11 4.61 0.25 2.92 1.01 -1.26 -5.01 120.40 123.04 1r9s s VAL 59 Ca 0.26 -1.26 -0.06 0.00 0.00 0.00 0.00 61.98 60.92 1r9s s VAL 59 Cb -0.09 -3.47 0.29 0.00 0.00 0.00 0.00 36.38 33.11 1r9s s VAL 59 CO -0.08 -0.30 1.63 -0.61 0.00 0.00 0.00 175.10 175.75 1r9s h GLN 60 N 1.62 0.11 0.00 2.72 5.75 -2.03 0.17 115.11 123.45 1r9s h GLN 60 Ca -0.49 -0.01 0.00 0.00 -0.15 0.00 0.00 58.65 58.00 1r9s h GLN 60 Cb 1.23 -0.02 0.00 0.00 1.07 0.00 0.00 27.48 29.76 1r9s h GLN 60 CO 0.61 0.07 0.00 -0.25 -2.65 0.00 0.00 178.83 176.61 1r9s n ASP 61 N -5.34 0.00 -0.29 -0.69 8.00 -1.26 -3.91 116.55 113.05 1r9s n ASP 61 Ca 0.15 -0.87 0.10 0.00 0.71 0.00 0.00 54.79 54.87 1r9s n ASP 61 Cb 0.50 0.00 0.26 0.00 -0.02 0.00 0.00 41.12 41.86 1r9s n ASP 61 CO 0.00 0.00 0.00 -0.29 -0.39 0.00 0.00 177.20 176.52 1r9s h ILE 62 N 0.00 0.58 -1.03 0.53 2.10 -1.01 0.42 117.51 119.10 1r9s h ILE 62 Ca 0.00 -0.16 0.30 0.00 1.08 0.00 0.00 64.86 66.08 1r9s h ILE 62 Cb 0.00 0.07 -0.04 0.00 -1.09 0.00 0.00 36.82 35.76 1r9s h ILE 62 CO 0.00 0.09 0.82 1.23 -1.08 0.00 0.00 178.15 179.21 1r9s h GLY 63 N 0.47 0.00 -0.51 8.18 0.00 -1.80 0.20 103.07 109.61 1r9s h GLY 63 Ca 0.50 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.83 1r9s h GLY 63 CO -0.46 0.00 0.00 -1.14 0.00 0.00 0.00 176.54 174.94 1r9s n SER 64 N -4.00 1.40 -4.66 0.19 3.41 0.15 -4.82 113.62 105.28 1r9s n SER 64 Ca 0.22 -1.59 -0.43 0.00 -0.26 0.00 0.00 58.87 56.82 1r9s n SER 64 Cb 1.17 -0.06 -0.02 0.00 -0.26 0.00 0.00 64.21 65.03 1r9s n SER 64 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 1r9s s ASP 65 N -1.72 7.10 0.47 4.04 -1.08 0.71 -4.92 116.67 121.27 1r9s s ASP 65 Ca 0.34 1.37 0.26 0.00 -0.52 0.00 0.00 52.55 54.01 1r9s s ASP 65 Cb 0.18 -2.53 0.72 0.00 -1.46 0.00 0.00 42.92 39.83 1r9s s ASP 65 CO 0.28 -0.60 1.75 1.55 0.52 0.00 0.00 175.17 178.67 1r9s h PRO 66 N 7.39 0.00 0.00 4.34 0.13 -1.88 -3.24 132.00 138.75 1r9s h PRO 66 Ca -0.22 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.91 1r9s h PRO 66 Cb 1.08 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.21 1r9s h PRO 66 CO 0.94 0.03 0.00 0.25 -0.23 0.00 0.00 178.00 178.99 1r9s n THR 67 N -3.12 0.41 -3.03 1.56 -2.24 -1.26 -4.79 114.28 101.82 1r9s n THR 67 Ca 0.03 -0.15 -0.39 0.00 -2.27 0.00 0.00 64.05 61.26 1r9s n THR 67 Cb 0.46 -0.59 -0.06 0.00 -2.10 0.00 0.00 70.33 68.03 1r9s n THR 67 CO 0.00 0.00 0.00 -0.76 -0.57 0.00 0.00 175.07 173.74 1r9s s LEU 68 N -3.96 4.58 0.80 3.22 1.43 -1.22 -5.05 118.68 118.48 1r9s s LEU 68 Ca 0.11 1.58 -0.12 0.00 -1.03 0.00 0.00 54.13 54.68 1r9s s LEU 68 Cb 0.14 -3.23 0.07 0.00 0.03 0.00 0.00 46.19 43.21 1r9s s LEU 68 CO 0.55 0.21 1.12 -2.16 0.23 0.00 0.00 176.35 176.30 1r9s s PRO 69 N -1.09 2.05 -0.07 1.29 0.04 -1.26 -4.94 135.00 131.02 1r9s s PRO 69 Ca 0.35 0.46 -0.01 0.00 0.04 0.00 0.00 61.00 61.84 1r9s s PRO 69 Cb -0.22 -1.93 0.03 0.00 0.04 0.00 0.00 34.50 32.41 1r9s s PRO 69 CO 0.25 -1.60 -0.01 1.03 0.04 0.00 0.00 177.00 176.71 1r9s s ARG 70 N -5.28 0.73 0.34 4.56 0.52 -1.26 -2.82 118.95 115.74 1r9s s ARG 70 Ca 0.61 0.05 -0.01 0.00 -0.52 0.00 0.00 55.73 55.85 1r9s s ARG 70 Cb -0.13 -1.03 0.07 0.00 0.52 0.00 0.00 34.95 34.38 1r9s s ARG 70 CO 0.53 -0.28 0.47 -1.13 0.02 0.00 0.00 175.30 174.91 1r9s n SER 71 N 5.01 0.49 -3.48 0.23 3.41 -1.26 -5.01 113.62 113.02 1r9s n SER 71 Ca -0.10 -1.45 -0.28 0.00 -0.26 0.00 0.00 58.87 56.79 1r9s n SER 71 Cb 0.50 -0.31 -0.08 0.00 -0.26 0.00 0.00 64.21 64.06 1r9s n SER 71 CO 0.00 0.00 0.00 -0.90 -0.16 0.00 0.00 175.04 173.98 1r9s n ASP 72 N -3.04 3.86 -4.09 4.04 5.75 -1.26 -4.51 116.55 117.30 1r9s n ASP 72 Ca 0.07 -3.43 -0.27 0.00 -0.01 0.00 0.00 54.79 51.15 1r9s n ASP 72 Cb 0.26 -0.70 -0.08 0.00 -1.03 0.00 0.00 41.12 39.57 1r9s n ASP 72 CO 0.00 0.00 0.00 -0.13 -0.11 0.00 0.00 177.20 176.96 1r9s s ARG 73 N -2.44 2.01 0.07 0.11 0.52 -1.26 -5.10 118.95 112.86 1r9s s ARG 73 Ca 0.39 -2.25 0.06 0.00 -0.52 0.00 0.00 55.73 53.41 1r9s s ARG 73 Cb 0.13 -0.64 -0.04 0.00 0.52 0.00 0.00 34.95 34.93 1r9s s ARG 73 CO -0.01 -0.53 -0.11 -1.21 0.02 0.00 0.00 175.30 173.46 1r9s s GLU 74 N -3.67 2.18 -0.03 3.54 2.02 -1.25 -3.71 118.70 117.77 1r9s s GLU 74 Ca 0.20 -0.97 -0.30 0.00 0.02 0.00 0.00 54.97 53.93 1r9s s GLU 74 Cb 0.01 -2.31 -0.03 0.00 0.10 0.00 0.00 34.13 31.89 1r9s s GLU 74 CO 0.14 0.53 1.16 0.00 0.02 0.00 0.00 175.26 177.11 1r9s h PRO 76 N 7.23 0.00 0.00 0.00 0.11 -1.95 -0.94 132.00 136.45 1r9s h PRO 76 Ca -0.36 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.75 1r9s h PRO 76 Cb 1.17 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.28 1r9s h PRO 76 CO 0.85 0.00 0.00 1.63 -0.21 0.00 0.00 178.00 180.27 1r9s n LYS 77 N -2.87 0.00 -0.64 1.05 5.02 -1.26 -4.60 118.16 114.86 1r9s n LYS 77 Ca 0.06 0.06 0.05 0.00 -2.02 0.00 0.00 58.31 56.47 1r9s n LYS 77 Cb 1.00 -0.54 0.29 0.00 -0.02 0.00 0.00 35.03 35.76 1r9s n LYS 77 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1r9s n HIS 79 N 0.44 -1.32 -2.67 0.00 8.25 -0.37 -4.80 115.22 114.75 1r9s n HIS 79 Ca 0.20 0.15 -0.31 0.00 -0.26 0.00 0.00 57.72 57.50 1r9s n HIS 79 Cb 0.93 -0.94 -0.03 0.00 1.12 0.00 0.00 29.99 31.07 1r9s n HIS 79 CO 0.00 0.00 0.00 -1.12 0.64 0.00 0.00 176.34 175.86 1r9s s SER 80 N -1.85 6.58 -0.24 0.41 0.01 -1.26 -4.64 113.70 112.71 1r9s s SER 80 Ca 0.18 1.33 0.13 0.00 1.31 0.00 0.00 55.95 58.91 1r9s s SER 80 Cb -0.11 -2.41 0.58 0.00 0.21 0.00 0.00 66.02 64.30 1r9s s SER 80 CO 0.23 -0.47 1.53 0.54 0.41 0.00 0.00 173.24 175.48 1r9s n ARG 81 N -1.36 2.88 -3.54 12.44 1.74 -1.24 -2.64 116.66 124.94 1r9s n ARG 81 Ca 0.04 -2.99 -0.41 0.00 -0.77 0.00 0.00 57.85 53.72 1r9s n ARG 81 Cb 0.54 -1.94 -0.08 0.00 -1.02 0.00 0.00 32.46 29.96 1r9s n ARG 81 CO 0.00 0.00 0.00 -1.21 -1.52 0.00 0.00 177.63 174.90 1r9s s GLU 82 N -2.97 2.58 0.44 5.56 2.02 -1.26 -4.54 118.70 120.53 1r9s s GLU 82 Ca 0.46 -1.88 0.04 0.00 0.02 0.00 0.00 54.97 53.61 1r9s s GLU 82 Cb 0.38 -3.96 -0.05 0.00 0.10 0.00 0.00 34.13 30.60 1r9s s GLU 82 CO 0.08 -1.21 0.02 -0.80 0.02 0.00 0.00 175.26 173.37 1r9s s ASN 83 N 2.50 3.77 -0.17 -0.19 0.01 -1.26 -0.10 114.94 119.50 1r9s s ASN 83 Ca 0.07 -1.50 -0.06 0.00 -0.71 0.00 0.00 52.86 50.67 1r9s s ASN 83 Cb -0.25 0.03 0.08 0.00 0.41 0.00 0.00 41.25 41.52 1r9s s ASN 83 CO -0.01 -0.65 0.36 0.54 -1.51 0.00 0.00 177.10 175.83 1r9s s VAL 84 N -2.86 -0.52 0.00 1.60 0.11 -1.18 -4.28 120.40 113.28 1r9s s VAL 84 Ca 0.23 0.21 0.00 0.00 -2.93 0.00 0.00 61.98 59.49 1r9s s VAL 84 Cb 0.06 -0.57 0.00 0.00 -1.53 0.00 0.00 36.38 34.34 1r9s s VAL 84 CO 0.12 0.09 0.00 2.22 -3.33 0.00 0.00 175.10 174.20 1r9s n PHE 85 N 5.29 0.00 0.00 1.54 1.16 -1.13 -1.66 117.46 122.67 1r9s n PHE 85 Ca -0.09 0.00 0.00 0.00 -1.87 0.00 0.00 57.45 55.49 1r9s n PHE 85 Cb 0.50 0.00 0.00 0.00 -1.61 0.00 0.00 39.48 38.37 1r9s n PHE 85 CO 0.00 0.00 0.00 1.97 -1.87 0.00 0.00 176.76 176.86 1r9s n PHE 86 N 0.00 0.00 -2.94 2.97 1.16 -1.04 -4.40 117.46 113.21 1r9s n PHE 86 Ca 0.00 0.00 -0.24 0.00 -1.87 0.00 0.00 57.45 55.34 1r9s n PHE 86 Cb 0.00 0.00 0.01 0.00 -1.61 0.00 0.00 39.48 37.88 1r9s n PHE 86 CO 0.00 0.00 0.00 -1.14 -1.87 0.00 0.00 176.76 173.75 1r9s s GLN 87 N -2.00 3.19 0.21 3.97 0.74 -1.26 -1.82 119.66 122.68 1r9s s GLN 87 Ca 0.00 -0.30 -0.18 0.00 0.05 0.00 0.00 55.36 54.93 1r9s s GLN 87 Cb 0.00 -2.52 -0.12 0.00 1.10 0.00 0.00 33.01 31.48 1r9s s GLN 87 CO 0.00 -0.24 0.24 0.45 -0.55 0.00 0.00 175.29 175.19 1r9s n SER 88 N -2.11 -1.39 0.08 6.67 2.88 -1.25 -4.89 113.62 113.60 1r9s n SER 88 Ca 0.00 0.71 0.02 0.00 -1.33 0.00 0.00 58.87 58.27 1r9s n SER 88 Cb 0.57 -0.66 -0.04 0.00 -0.75 0.00 0.00 64.21 63.33 1r9s n SER 88 CO 0.00 0.00 0.00 1.56 -1.23 0.00 0.00 175.04 175.37 1r9s h GLN 89 N 0.51 0.00 -6.64 -1.46 1.08 -1.61 -3.45 115.11 103.54 1r9s h GLN 89 Ca -0.23 0.00 -0.52 0.00 -1.45 0.00 0.00 58.65 56.45 1r9s h GLN 89 Cb 1.03 0.00 0.05 0.00 -0.05 0.00 0.00 27.48 28.52 1r9s h GLN 89 CO 0.38 0.35 0.95 -0.65 -0.95 0.00 0.00 178.83 178.90 1r9s s GLN 90 N -2.97 4.17 -1.09 1.46 -0.21 -1.25 -4.87 119.66 114.89 1r9s s GLN 90 Ca -0.00 2.49 -0.06 0.00 0.02 0.00 0.00 55.36 57.81 1r9s s GLN 90 Cb 0.08 -3.11 0.29 0.00 1.00 0.00 0.00 33.01 31.28 1r9s s GLN 90 CO 0.79 -0.68 1.28 0.54 -2.12 0.00 0.00 175.29 175.10 1r9s n ARG 91 N 3.89 3.95 -4.57 2.91 5.12 -1.26 -4.97 116.66 121.73 1r9s n ARG 91 Ca 0.15 -4.51 -0.30 0.00 -1.93 0.00 0.00 57.85 51.26 1r9s n ARG 91 Cb 0.37 -2.53 -0.08 0.00 -1.16 0.00 0.00 32.46 29.06 1r9s n ARG 91 CO 0.00 0.00 0.00 0.50 -1.93 0.00 0.00 177.63 176.20 1r9s s ARG 92 N -2.01 2.11 -0.07 5.56 3.52 -1.26 -5.08 118.95 121.72 1r9s s ARG 92 Ca 0.31 -2.19 -0.24 0.00 -0.13 0.00 0.00 55.73 53.48 1r9s s ARG 92 Cb -0.03 -1.67 -0.27 0.00 -1.56 0.00 0.00 34.95 31.42 1r9s s ARG 92 CO 0.01 -0.22 0.91 0.87 -0.81 0.00 0.00 175.30 176.05 1r9s h LYS 93 N 1.49 0.20 -1.05 5.12 1.57 -2.05 -3.35 116.57 118.50 1r9s h LYS 93 Ca -0.43 -0.30 -0.28 0.00 -1.87 0.00 0.00 60.65 57.77 1r9s h LYS 93 Cb 1.28 0.10 -0.16 0.00 0.08 0.00 0.00 32.23 33.53 1r9s h LYS 93 CO 0.75 1.09 0.36 -0.40 -0.57 0.00 0.00 179.45 180.69 1r9s n ASP 94 N -4.35 3.76 -4.74 0.86 5.75 -1.26 -4.96 116.55 111.62 1r9s n ASP 94 Ca -0.12 -2.88 -0.40 0.00 -0.01 0.00 0.00 54.79 51.38 1r9s n ASP 94 Cb 0.65 -0.72 -0.05 0.00 -1.03 0.00 0.00 41.12 39.96 1r9s n ASP 94 CO 0.00 0.00 0.00 -0.89 -0.11 0.00 0.00 177.20 176.20 1r9s s THR 95 N -1.84 4.41 0.43 2.12 2.01 -1.26 -5.03 115.64 116.49 1r9s s THR 95 Ca 0.31 1.98 -0.24 0.00 0.31 0.00 0.00 61.69 64.04 1r9s s THR 95 Cb 0.26 -4.28 -0.08 0.00 0.01 0.00 0.00 72.50 68.41 1r9s s THR 95 CO 0.05 0.39 1.19 -0.94 -0.69 0.00 0.00 174.62 174.63 1r9s s SER 96 N -0.44 6.28 0.00 3.53 1.04 -1.26 -4.89 113.70 117.96 1r9s s SER 96 Ca 0.43 2.39 0.08 0.00 0.48 0.00 0.00 55.95 59.33 1r9s s SER 96 Cb -0.24 -2.61 0.45 0.00 0.10 0.00 0.00 66.02 63.72 1r9s s SER 96 CO 0.29 -0.85 1.29 0.23 0.98 0.00 0.00 173.24 175.19 1r9s n MET 97 N -0.22 1.06 -0.94 4.02 2.81 -1.26 -4.52 117.12 118.07 1r9s n MET 97 Ca 0.06 -0.09 -0.35 0.00 -1.81 0.00 0.00 57.70 55.51 1r9s n MET 97 Cb 0.47 -1.13 0.07 0.00 -0.71 0.00 0.00 33.22 31.91 1r9s n MET 97 CO 0.00 0.00 0.00 0.28 1.51 0.00 0.00 175.97 177.76 1r9s n VAL 98 N -0.54 0.04 -4.26 2.03 0.31 -1.26 -4.87 118.33 109.79 1r9s n VAL 98 Ca 0.06 -0.38 -0.28 0.00 -0.01 0.00 0.00 64.34 63.73 1r9s n VAL 98 Cb 0.05 -0.25 -0.09 0.00 -0.91 0.00 0.00 33.84 32.64 1r9s n VAL 98 CO 0.00 0.00 0.00 -0.76 -1.32 0.00 0.00 176.83 174.75 1r9s s LEU 99 N 4.35 3.04 -0.05 7.52 1.43 -1.26 -3.90 118.68 129.82 1r9s s LEU 99 Ca 0.47 -0.49 0.03 0.00 -1.03 0.00 0.00 54.13 53.11 1r9s s LEU 99 Cb -0.20 -1.76 0.00 0.00 0.03 0.00 0.00 46.19 44.26 1r9s s LEU 99 CO 0.76 0.13 -0.13 -0.36 0.23 0.00 0.00 176.35 176.98 1r9s s PHE 100 N -1.54 1.43 0.11 0.29 0.40 -0.76 -2.10 117.98 115.81 1r9s s PHE 100 Ca 0.24 -0.45 0.09 0.00 -0.60 0.00 0.00 56.93 56.21 1r9s s PHE 100 Cb -0.10 -1.01 -0.04 0.00 0.51 0.00 0.00 43.02 42.39 1r9s s PHE 100 CO 0.15 -0.19 -0.20 -0.06 0.70 0.00 0.00 175.22 175.62 1r9s s PHE 101 N 0.32 2.50 -0.26 0.36 0.40 0.41 -2.50 117.98 119.20 1r9s s PHE 101 Ca -0.08 -0.29 0.01 0.00 -0.60 0.00 0.00 56.93 55.98 1r9s s PHE 101 Cb -0.12 -1.35 0.07 0.00 0.51 0.00 0.00 43.02 42.13 1r9s s PHE 101 CO 0.02 0.35 -0.02 0.08 0.70 0.00 0.00 175.22 176.36 1r9s s VAL 102 N -1.09 1.56 0.19 -0.44 1.01 -0.66 -0.66 120.40 120.30 1r9s s VAL 102 Ca 0.17 -1.42 -0.33 0.00 0.00 0.00 0.00 61.98 60.40 1r9s s VAL 102 Cb -0.10 -1.91 -0.12 0.00 0.00 0.00 0.00 36.38 34.24 1r9s s VAL 102 CO 0.08 -0.25 1.69 0.00 0.00 0.00 0.00 175.10 176.62 1r9s n LEU 104 N 3.93 0.00 -0.10 0.00 4.77 0.86 -1.40 117.00 125.06 1r9s n LEU 104 Ca 0.16 0.34 -0.12 0.00 -0.03 0.00 0.00 56.01 56.37 1r9s n LEU 104 Cb 0.33 -0.34 -0.13 0.00 -2.33 0.00 0.00 43.42 40.95 1r9s n LEU 104 CO 0.64 -0.06 -1.17 -1.20 -1.33 0.00 0.00 177.39 174.27 1r9s n SER 105 N -1.34 1.11 -0.03 -1.43 7.64 -1.26 -4.64 113.62 113.67 1r9s n SER 105 Ca 0.10 -0.05 0.01 0.00 1.01 0.00 0.00 58.87 59.94 1r9s n SER 105 Cb 0.22 0.43 -0.00 0.00 -1.01 0.00 0.00 64.21 63.85 1r9s n SER 105 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1r9s n SER 107 N -0.51 -5.23 -4.64 0.00 7.64 -0.49 -4.97 113.62 105.42 1r9s n SER 107 Ca 0.00 -0.30 -0.39 0.00 1.01 0.00 0.00 58.87 59.19 1r9s n SER 107 Cb 0.03 -3.98 -0.07 0.00 -1.01 0.00 0.00 64.21 59.17 1r9s n SER 107 CO 0.00 0.00 0.00 -2.28 -3.01 0.00 0.00 175.04 169.75 1r9s s HIS 108 N -3.12 3.33 -0.24 1.43 5.65 -1.24 -4.80 115.29 116.30 1r9s s HIS 108 Ca 0.32 0.67 -0.21 0.00 0.25 0.00 0.00 55.06 56.10 1r9s s HIS 108 Cb -0.14 -2.66 -0.02 0.00 -1.18 0.00 0.00 32.58 28.58 1r9s s HIS 108 CO 0.40 -0.16 0.64 0.42 -0.65 0.00 0.00 174.74 175.39 1r9s s ILE 109 N 1.86 4.99 0.09 0.89 1.01 -1.25 -0.96 121.20 127.82 1r9s s ILE 109 Ca 0.22 1.16 0.04 0.00 0.00 0.00 0.00 60.65 62.06 1r9s s ILE 109 Cb -0.15 -3.94 -0.03 0.00 0.01 0.00 0.00 42.46 38.34 1r9s s ILE 109 CO 0.09 0.04 -0.10 0.72 0.00 0.00 0.00 174.94 175.69 1r9s s PHE 110 N 2.40 1.07 0.25 3.97 -0.12 0.16 -4.91 117.98 120.80 1r9s s PHE 110 Ca 0.27 -0.62 0.09 0.00 -0.05 0.00 0.00 56.93 56.61 1r9s s PHE 110 Cb -0.16 -0.59 -0.04 0.00 -0.63 0.00 0.00 43.02 41.61 1r9s s PHE 110 CO 0.09 0.01 0.03 0.99 -0.05 0.00 0.00 175.22 176.29 1r9s s THR 111 N -2.25 3.69 -2.19 -4.49 2.01 -1.26 0.15 115.64 111.30 1r9s s THR 111 Ca 0.04 -1.73 0.18 0.00 0.31 0.00 0.00 61.69 60.49 1r9s s THR 111 Cb -0.04 -2.96 0.42 0.00 0.01 0.00 0.00 72.50 69.93 1r9s s THR 111 CO 0.00 -0.32 1.43 -1.54 -0.69 0.00 0.00 174.62 173.51 1r9s n SER 112 N -0.81 2.13 -4.71 3.53 3.41 -0.89 -4.92 113.62 111.36 1r9s n SER 112 Ca -0.07 -1.86 -0.42 0.00 -0.26 0.00 0.00 58.87 56.26 1r9s n SER 112 Cb 0.58 -0.19 -0.03 0.00 -0.26 0.00 0.00 64.21 64.31 1r9s n SER 112 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 1r9s s ASP 113 N -1.33 7.10 -0.03 4.04 -1.08 -1.26 -4.80 116.67 119.31 1r9s s ASP 113 Ca 0.31 1.98 0.17 0.00 -0.52 0.00 0.00 52.55 54.50 1r9s s ASP 113 Cb 0.17 -2.58 -0.26 0.00 -1.46 0.00 0.00 42.92 38.79 1r9s s ASP 113 CO 0.24 -0.46 0.36 0.00 0.52 0.00 0.00 175.17 175.83 1r9s n GLN 114 N 3.97 0.56 -0.10 4.34 6.02 -1.26 -4.70 117.38 126.20 1r9s n GLN 114 Ca 0.09 -0.15 -0.18 0.00 -0.01 0.00 0.00 57.00 56.75 1r9s n GLN 114 Cb 0.47 -1.40 -0.08 0.00 1.02 0.00 0.00 30.24 30.25 1r9s n GLN 114 CO 0.00 0.00 0.00 1.63 -1.01 0.00 0.00 177.06 177.68 1r9s n LYS 115 N -2.11 0.54 -2.74 -1.09 5.02 -1.26 -4.94 118.16 111.57 1r9s n LYS 115 Ca -0.04 0.46 -0.39 0.00 -2.02 0.00 0.00 58.31 56.31 1r9s n LYS 115 Cb 0.47 -1.64 -0.06 0.00 -0.02 0.00 0.00 35.03 33.77 1r9s n LYS 115 CO 0.00 0.00 0.00 -0.80 -0.52 0.00 0.00 177.40 176.08 1r9s s ASN 116 N -6.60 7.57 -0.28 4.39 0.01 -1.26 -5.04 114.94 113.73 1r9s s ASN 116 Ca -0.27 1.95 -0.01 0.00 -0.71 0.00 0.00 52.86 53.81 1r9s s ASN 116 Cb 0.07 -2.61 0.05 0.00 0.41 0.00 0.00 41.25 39.17 1r9s s ASN 116 CO 0.46 0.10 -0.03 -0.54 -1.51 0.00 0.00 177.10 175.58 1r9s s LYS 117 N -1.35 2.47 -0.15 -0.60 1.02 -1.26 -4.87 119.74 114.99 1r9s s LYS 117 Ca 0.43 -1.23 0.02 0.00 0.02 0.00 0.00 55.97 55.21 1r9s s LYS 117 Cb -0.25 -3.10 0.01 0.00 -0.52 0.00 0.00 37.83 33.98 1r9s s LYS 117 CO 0.31 -0.57 -0.20 1.03 -0.92 0.00 0.00 175.35 175.00 1r9s s ARG 118 N 1.24 2.83 -0.01 1.68 0.52 -1.26 -4.93 118.95 119.02 1r9s s ARG 118 Ca -0.05 -0.78 0.21 0.00 -0.52 0.00 0.00 55.73 54.59 1r9s s ARG 118 Cb -0.19 -2.37 -0.27 0.00 0.52 0.00 0.00 34.95 32.64 1r9s s ARG 118 CO -0.02 -0.10 0.76 2.41 0.02 0.00 0.00 175.30 178.36 1r9s n THR 119 N 4.33 0.00 1.84 0.02 -1.04 -1.26 -5.03 114.28 113.15 1r9s n THR 119 Ca -0.20 -0.17 0.15 0.00 -2.04 0.00 0.00 64.05 61.79 1r9s n THR 119 Cb 0.51 0.67 0.88 0.00 -1.82 0.00 0.00 70.33 70.56 1r9s n THR 119 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43