#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1b8m s GLU 13 N 0.00 2.42 -0.04 1.61 1.03 -1.26 -5.16 118.70 117.31 1b8m s GLU 13 Ca 0.00 -1.47 -0.06 0.00 0.03 0.00 0.00 54.97 53.48 1b8m s GLU 13 Cb 0.00 -2.22 0.01 0.00 -0.80 0.00 0.00 34.13 31.12 1b8m s GLU 13 CO 0.00 0.18 0.14 -1.17 -1.33 0.00 0.00 175.26 173.08 1b8m s LEU 14 N -3.83 1.47 0.45 1.83 2.96 -1.26 -5.15 118.68 115.16 1b8m s LEU 14 Ca 0.36 0.18 -0.23 0.00 -0.22 0.00 0.00 54.13 54.22 1b8m s LEU 14 Cb -0.04 0.54 -0.08 0.00 0.50 0.00 0.00 46.19 47.11 1b8m s LEU 14 CO 0.23 -0.12 1.14 0.00 -1.32 0.00 0.00 176.35 176.27 1b8m s ALA 15 N -0.26 2.98 -0.02 5.97 0.00 -1.26 -4.94 121.76 124.23 1b8m s ALA 15 Ca -0.03 0.88 0.12 0.00 0.00 0.00 0.00 51.96 52.92 1b8m s ALA 15 Cb -0.03 -3.36 -0.13 0.00 0.00 0.00 0.00 23.12 19.61 1b8m s ALA 15 CO 0.00 -0.57 1.14 0.28 0.00 0.00 0.00 175.76 176.62 1b8m h VAL 16 N 1.89 1.15 -3.38 0.00 2.07 -1.96 -3.44 116.25 112.58 1b8m h VAL 16 Ca -0.49 -2.76 -0.43 0.00 0.82 0.00 0.00 66.70 63.84 1b8m h VAL 16 Cb 1.24 2.53 -0.35 0.00 -1.52 0.00 0.00 31.29 33.19 1b8m h VAL 16 CO 0.60 0.65 -0.77 0.00 0.02 0.00 0.00 177.57 178.07 1b8m s ASP 18 N 1.24 7.05 0.34 0.00 1.01 -1.26 -4.95 116.67 120.10 1b8m s ASP 18 Ca -0.06 1.30 0.08 0.00 0.71 0.00 0.00 52.55 54.59 1b8m s ASP 18 Cb -0.14 -2.50 -0.04 0.00 1.01 0.00 0.00 42.92 41.25 1b8m s ASP 18 CO -0.02 -0.50 0.11 0.00 0.21 0.00 0.00 175.17 174.97 1b8m s ALA 19 N 2.49 3.41 -0.03 5.23 0.00 -1.26 0.19 121.76 131.80 1b8m s ALA 19 Ca 0.42 -1.85 0.02 0.00 0.00 0.00 0.00 51.96 50.55 1b8m s ALA 19 Cb -0.16 -0.65 0.01 0.00 0.00 0.00 0.00 23.12 22.32 1b8m s ALA 19 CO 0.11 0.05 -0.07 0.14 0.00 0.00 0.00 175.76 176.00 1b8m s VAL 20 N -2.44 0.66 -0.02 0.00 -7.23 0.39 -4.72 120.40 107.04 1b8m s VAL 20 Ca 0.37 -0.25 0.06 0.00 -1.81 0.00 0.00 61.98 60.34 1b8m s VAL 20 Cb -0.02 -0.63 -0.03 0.00 0.56 0.00 0.00 36.38 36.27 1b8m s VAL 20 CO 0.22 0.23 -0.19 -0.44 -0.31 0.00 0.00 175.10 174.61 1b8m s SER 21 N 0.50 3.70 0.00 4.85 0.01 -1.26 -1.24 113.70 120.26 1b8m s SER 21 Ca -0.07 -0.33 0.00 0.00 1.31 0.00 0.00 55.95 56.86 1b8m s SER 21 Cb -0.11 -0.64 0.00 0.00 0.21 0.00 0.00 66.02 65.47 1b8m s SER 21 CO 0.01 0.32 0.00 0.61 0.41 0.00 0.00 173.24 174.58 1b8m n GLY 22 N 2.15 -1.25 3.76 3.44 0.00 -0.91 -5.02 105.19 107.35 1b8m n GLY 22 Ca -0.17 -0.94 -0.39 0.00 0.00 0.00 0.00 46.02 44.53 1b8m n GLY 22 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 1b8m s TRP 23 N -2.51 3.69 -0.28 1.61 0.52 -1.26 -1.91 118.94 118.81 1b8m s TRP 23 Ca 0.00 1.28 -0.02 0.00 0.02 0.00 0.00 56.10 57.38 1b8m s TRP 23 Cb 0.00 -2.68 0.04 0.00 -1.15 0.00 0.00 33.47 29.68 1b8m s TRP 23 CO 0.00 0.32 -0.03 0.08 0.02 0.00 0.00 176.95 177.34 1b8m s VAL 24 N -0.11 2.96 -1.37 4.03 1.01 -0.77 -4.93 120.40 121.22 1b8m s VAL 24 Ca 0.33 -1.20 0.12 0.00 0.00 0.00 0.00 61.98 61.23 1b8m s VAL 24 Cb -0.19 -2.61 0.05 0.00 0.00 0.00 0.00 36.38 33.64 1b8m s VAL 24 CO 0.19 0.04 0.81 0.35 0.00 0.00 0.00 175.10 176.49 1b8m n THR 25 N 4.65 0.00 -0.53 3.92 -2.24 -1.26 -2.68 114.28 116.14 1b8m n THR 25 Ca -0.15 -0.44 0.07 0.00 -2.27 0.00 0.00 64.05 61.27 1b8m n THR 25 Cb 0.45 1.21 0.23 0.00 -2.10 0.00 0.00 70.33 70.12 1b8m n THR 25 CO 0.00 0.00 0.00 -0.90 -0.57 0.00 0.00 175.07 173.60 1b8m n ASP 26 N 0.29 3.63 -4.55 3.42 5.75 -1.26 -4.92 116.55 118.90 1b8m n ASP 26 Ca 0.06 -2.41 -0.41 0.00 -0.01 0.00 0.00 54.79 52.03 1b8m n ASP 26 Cb 0.29 -0.41 -0.03 0.00 -1.03 0.00 0.00 41.12 39.94 1b8m n ASP 26 CO 0.00 0.00 0.00 -0.60 -0.11 0.00 0.00 177.20 176.49 1b8m s ARG 27 N -1.74 3.14 0.01 0.11 3.52 -1.26 -4.80 118.95 117.92 1b8m s ARG 27 Ca 0.36 -0.05 0.23 0.00 -0.13 0.00 0.00 55.73 56.13 1b8m s ARG 27 Cb 0.24 -4.20 0.05 0.00 -1.56 0.00 0.00 34.95 29.48 1b8m s ARG 27 CO 0.16 -2.19 1.07 0.54 -0.81 0.00 0.00 175.30 174.07 1b8m n ARG 28 N 9.26 0.06 -3.98 5.12 1.74 -1.26 -4.69 116.66 122.91 1b8m n ARG 28 Ca 0.06 -0.01 -0.09 0.00 -0.77 0.00 0.00 57.85 57.04 1b8m n ARG 28 Cb 0.49 -1.52 -0.06 0.00 -1.02 0.00 0.00 32.46 30.36 1b8m n ARG 28 CO 0.00 0.00 0.00 0.95 -1.52 0.00 0.00 177.63 177.06 1b8m s THR 29 N -3.05 0.02 -0.02 0.55 -4.23 -1.26 -1.54 115.64 106.12 1b8m s THR 29 Ca 0.08 -1.37 -0.29 0.00 -1.18 0.00 0.00 61.69 58.92 1b8m s THR 29 Cb 0.16 -2.08 0.10 0.00 1.34 0.00 0.00 72.50 72.03 1b8m s THR 29 CO 0.81 -0.07 0.99 0.00 -0.54 0.00 0.00 174.62 175.80 1b8m s ALA 30 N -4.00 -1.87 -0.02 3.99 0.00 -0.65 -4.82 121.76 114.39 1b8m s ALA 30 Ca 0.21 0.96 -0.14 0.00 0.00 0.00 0.00 51.96 52.99 1b8m s ALA 30 Cb 0.01 0.35 -0.05 0.00 0.00 0.00 0.00 23.12 23.42 1b8m s ALA 30 CO 0.06 -0.75 0.38 0.08 0.00 0.00 0.00 175.76 175.53 1b8m s VAL 31 N -2.97 5.09 0.36 0.00 1.01 -1.26 -1.02 120.40 121.62 1b8m s VAL 31 Ca 0.08 0.77 0.02 0.00 0.00 0.00 0.00 61.98 62.85 1b8m s VAL 31 Cb -0.01 -3.68 0.07 0.00 0.00 0.00 0.00 36.38 32.76 1b8m s VAL 31 CO -0.06 0.56 0.50 -0.90 0.00 0.00 0.00 175.10 175.20 1b8m n ASP 32 N 1.99 0.91 -0.28 3.32 5.68 -0.12 -1.55 116.55 126.50 1b8m n ASP 32 Ca -0.14 -1.71 0.08 0.00 -0.50 0.00 0.00 54.79 52.52 1b8m n ASP 32 Cb 0.53 -0.30 0.23 0.00 -1.14 0.00 0.00 41.12 40.44 1b8m n ASP 32 CO 0.00 0.00 0.00 0.25 -1.33 0.00 0.00 177.20 176.12 1b8m h LEU 33 N 0.00 0.35 0.00 -2.12 7.12 -1.84 -0.61 115.31 118.20 1b8m h LEU 33 Ca -0.17 0.12 0.00 0.00 0.13 0.00 0.00 57.88 57.96 1b8m h LEU 33 Cb 0.67 0.09 0.00 0.00 -0.53 0.00 0.00 40.66 40.89 1b8m h LEU 33 CO 0.20 0.10 0.00 0.54 -0.13 0.00 0.00 178.44 179.15 1b8m n ARG 34 N -4.99 1.00 -0.78 1.25 1.74 -1.26 -4.89 116.66 108.72 1b8m n ARG 34 Ca 0.17 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 57.25 1b8m n ARG 34 Cb 0.49 -1.20 0.00 0.00 -1.02 0.00 0.00 32.46 30.74 1b8m n ARG 34 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1b8m n GLY 35 N 0.69 1.36 3.89 -0.13 0.00 -0.24 -5.04 105.19 105.73 1b8m n GLY 35 Ca 0.09 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.82 1b8m n GLY 35 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1b8m s ARG 36 N -0.03 2.07 -0.17 1.61 0.52 -1.26 -4.72 118.95 116.96 1b8m s ARG 36 Ca 0.00 0.18 -0.04 0.00 -0.52 0.00 0.00 55.73 55.35 1b8m s ARG 36 Cb 0.00 -1.96 -0.03 0.00 0.52 0.00 0.00 34.95 33.49 1b8m s ARG 36 CO 0.00 -1.54 -0.02 -2.00 0.02 0.00 0.00 175.30 171.76 1b8m s GLU 37 N -5.53 3.67 0.26 3.54 2.12 -1.26 -0.94 118.70 120.57 1b8m s GLU 37 Ca 0.61 -0.51 0.11 0.00 0.36 0.00 0.00 54.97 55.54 1b8m s GLU 37 Cb -0.11 -2.98 -0.05 0.00 0.26 0.00 0.00 34.13 31.25 1b8m s GLU 37 CO 0.50 0.17 -0.18 0.14 -0.54 0.00 0.00 175.26 175.35 1b8m s VAL 38 N 0.55 2.28 -0.02 3.70 -7.23 -0.19 -4.41 120.40 115.08 1b8m s VAL 38 Ca -0.02 -2.35 -0.14 0.00 -1.81 0.00 0.00 61.98 57.66 1b8m s VAL 38 Cb -0.14 -2.24 -0.05 0.00 0.56 0.00 0.00 36.38 34.51 1b8m s VAL 38 CO 0.02 -0.45 0.37 -1.61 -0.31 0.00 0.00 175.10 173.13 1b8m s GLU 39 N -3.55 3.85 -0.30 4.82 2.02 -0.17 -1.63 118.70 123.75 1b8m s GLU 39 Ca 0.28 0.34 -0.08 0.00 0.02 0.00 0.00 54.97 55.53 1b8m s GLU 39 Cb -0.04 -3.22 -0.00 0.00 0.10 0.00 0.00 34.13 30.97 1b8m s GLU 39 CO 0.13 0.70 0.11 0.08 0.02 0.00 0.00 175.26 176.30 1b8m s VAL 40 N -1.06 4.28 0.60 2.63 1.01 -0.59 -0.89 120.40 126.39 1b8m s VAL 40 Ca 0.22 -0.52 -0.18 0.00 0.00 0.00 0.00 61.98 61.50 1b8m s VAL 40 Cb -0.16 -3.17 -0.03 0.00 0.00 0.00 0.00 36.38 33.02 1b8m s VAL 40 CO 0.12 0.10 1.18 -0.76 0.00 0.00 0.00 175.10 175.74 1b8m s LEU 41 N 1.56 3.63 0.21 3.92 1.02 -1.08 -4.69 118.68 123.25 1b8m s LEU 41 Ca 0.04 2.30 0.16 0.00 0.02 0.00 0.00 54.13 56.65 1b8m s LEU 41 Cb -0.17 -4.59 0.00 0.00 0.02 0.00 0.00 46.19 41.46 1b8m s LEU 41 CO 0.04 -1.57 1.22 1.23 0.02 0.00 0.00 176.35 177.29 1b8m h GLY 42 N 0.77 0.00 -5.18 -3.19 0.00 -1.90 -3.43 103.07 90.14 1b8m h GLY 42 Ca -0.50 0.00 -0.21 0.00 0.00 0.00 0.00 47.33 46.62 1b8m h GLY 42 CO 0.55 0.00 -0.71 -1.83 0.00 0.00 0.00 176.54 174.55 1b8m s GLU 43 N -2.98 0.23 -0.22 4.80 -1.05 -1.26 -0.17 118.70 118.05 1b8m s GLU 43 Ca 0.02 -0.39 -0.07 0.00 -0.15 0.00 0.00 54.97 54.38 1b8m s GLU 43 Cb 0.08 -0.00 -0.03 0.00 -0.44 0.00 0.00 34.13 33.74 1b8m s GLU 43 CO 0.77 -0.01 0.05 0.08 0.95 0.00 0.00 175.26 177.09 1b8m s VAL 44 N -0.86 4.29 -0.73 1.83 1.01 0.13 -4.89 120.40 121.17 1b8m s VAL 44 Ca -0.09 -0.19 -0.26 0.00 0.00 0.00 0.00 61.98 61.44 1b8m s VAL 44 Cb -0.06 -2.97 -0.02 0.00 0.00 0.00 0.00 36.38 33.33 1b8m s VAL 44 CO -0.00 0.39 1.79 -2.16 0.00 0.00 0.00 175.10 175.12 1b8m s PRO 45 N 1.17 2.73 0.36 2.72 0.04 -1.26 -0.62 135.00 140.14 1b8m s PRO 45 Ca 0.04 0.15 -0.24 0.00 0.04 0.00 0.00 61.00 60.98 1b8m s PRO 45 Cb -0.14 -4.62 -0.10 0.00 0.04 0.00 0.00 34.50 29.68 1b8m s PRO 45 CO 0.03 -2.82 0.97 0.00 0.04 0.00 0.00 177.00 175.22 1b8m s ALA 46 N 8.72 3.14 -0.05 8.56 0.00 -1.26 -4.93 121.76 135.94 1b8m s ALA 46 Ca 0.63 0.53 -0.30 0.00 0.00 0.00 0.00 51.96 52.83 1b8m s ALA 46 Cb -0.10 -3.19 -0.06 0.00 0.00 0.00 0.00 23.12 19.77 1b8m s ALA 46 CO 0.12 0.08 1.72 0.00 0.00 0.00 0.00 175.76 177.69 1b8m s ALA 47 N -1.75 3.56 0.00 0.00 0.00 -1.26 -4.61 121.76 117.69 1b8m s ALA 47 Ca 0.54 0.97 0.00 0.00 0.00 0.00 0.00 51.96 53.47 1b8m s ALA 47 Cb -0.17 -3.78 0.00 0.00 0.00 0.00 0.00 23.12 19.17 1b8m s ALA 47 CO 0.22 -1.51 0.00 0.41 0.00 0.00 0.00 175.76 174.88 1b8m n GLY 48 N 4.29 0.46 0.00 0.00 0.00 -1.26 -4.99 105.19 103.69 1b8m n GLY 48 Ca 0.18 -0.96 0.00 0.00 0.00 0.00 0.00 46.02 45.24 1b8m n GLY 48 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1b8m n GLY 49 N 0.00 0.51 3.75 -0.02 0.00 -1.26 -5.01 105.19 103.16 1b8m n GLY 49 Ca 0.00 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.62 1b8m n GLY 49 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1b8m s SER 50 N -1.00 7.26 0.66 1.61 0.01 -1.26 -5.01 113.70 115.97 1b8m s SER 50 Ca 0.00 1.50 -0.17 0.00 1.31 0.00 0.00 55.95 58.60 1b8m s SER 50 Cb 0.00 -2.48 -0.00 0.00 0.21 0.00 0.00 66.02 63.75 1b8m s SER 50 CO 0.00 0.07 1.19 -2.84 0.41 0.00 0.00 173.24 172.07 1b8m s PRO 51 N -0.37 2.62 -0.01 12.44 0.02 -1.26 -4.59 135.00 143.84 1b8m s PRO 51 Ca 0.38 1.73 -0.24 0.00 0.02 0.00 0.00 61.00 62.90 1b8m s PRO 51 Cb -0.21 -1.89 -0.05 0.00 0.02 0.00 0.00 34.50 32.37 1b8m s PRO 51 CO 0.24 -1.46 0.71 -1.17 -0.33 0.00 0.00 177.00 174.99 1b8m s LEU 52 N -4.62 4.39 -0.04 -5.54 2.96 0.21 -4.89 118.68 111.15 1b8m s LEU 52 Ca 0.75 1.29 -0.27 0.00 -0.22 0.00 0.00 54.13 55.67 1b8m s LEU 52 Cb -0.28 -3.12 -0.03 0.00 0.50 0.00 0.00 46.19 43.26 1b8m s LEU 52 CO 0.39 -0.03 0.86 -0.13 -1.32 0.00 0.00 176.35 176.12 1b8m s ARG 53 N 0.30 4.50 -0.40 1.98 1.81 -1.26 0.20 118.95 126.08 1b8m s ARG 53 Ca 0.37 1.18 -0.15 0.00 -1.72 0.00 0.00 55.73 55.41 1b8m s ARG 53 Cb -0.19 -3.46 0.01 0.00 -0.45 0.00 0.00 34.95 30.86 1b8m s ARG 53 CO 0.20 -0.02 0.34 -1.14 -0.68 0.00 0.00 175.30 174.00 1b8m s GLN 54 N 0.99 3.14 0.26 3.54 0.74 0.76 -4.89 119.66 124.22 1b8m s GLN 54 Ca 0.45 -0.82 -0.08 0.00 0.05 0.00 0.00 55.36 54.96 1b8m s GLN 54 Cb -0.19 -3.93 -0.01 0.00 1.10 0.00 0.00 33.01 29.97 1b8m s GLN 54 CO 0.23 -0.72 0.42 1.52 -0.55 0.00 0.00 175.29 176.20 1b8m s TYR 55 N 1.86 0.66 0.32 1.67 1.13 -1.26 -4.75 117.35 116.98 1b8m s TYR 55 Ca 0.08 -0.97 0.03 0.00 -1.41 0.00 0.00 57.07 54.80 1b8m s TYR 55 Cb -0.18 0.01 -0.04 0.00 -1.10 0.00 0.00 41.96 40.65 1b8m s TYR 55 CO 0.11 -0.98 0.12 -0.06 -2.51 0.00 0.00 175.55 172.24 1b8m s PHE 56 N -3.79 1.70 -0.17 -3.49 0.08 -1.09 -5.01 117.98 106.20 1b8m s PHE 56 Ca 0.27 -1.22 0.00 0.00 0.12 0.00 0.00 56.93 56.10 1b8m s PHE 56 Cb 0.01 -1.02 0.03 0.00 -0.57 0.00 0.00 43.02 41.47 1b8m s PHE 56 CO 0.12 -0.32 -0.12 0.12 -0.10 0.00 0.00 175.22 174.92 1b8m s PHE 57 N -3.50 2.22 0.12 0.36 2.19 -1.26 -1.85 117.98 116.27 1b8m s PHE 57 Ca 0.34 -1.34 0.05 0.00 0.33 0.00 0.00 56.93 56.31 1b8m s PHE 57 Cb 0.06 -1.59 -0.04 0.00 -1.31 0.00 0.00 43.02 40.14 1b8m s PHE 57 CO 0.16 -0.69 -0.12 -1.21 1.83 0.00 0.00 175.22 175.18 1b8m s GLU 58 N 1.47 0.99 -0.14 10.12 2.02 -0.80 -4.93 118.70 127.43 1b8m s GLU 58 Ca 0.02 -1.26 0.02 0.00 0.02 0.00 0.00 54.97 53.77 1b8m s GLU 58 Cb -0.14 -0.77 0.01 0.00 0.10 0.00 0.00 34.13 33.33 1b8m s GLU 58 CO -0.10 0.13 -0.20 0.99 0.02 0.00 0.00 175.26 176.11 1b8m s THR 59 N -2.43 2.22 0.41 3.63 2.01 0.39 -2.14 115.64 119.73 1b8m s THR 59 Ca 0.10 -0.93 0.01 0.00 0.31 0.00 0.00 61.69 61.18 1b8m s THR 59 Cb -0.03 -1.90 -0.00 0.00 0.01 0.00 0.00 72.50 70.57 1b8m s THR 59 CO 0.02 0.54 0.04 0.54 -0.69 0.00 0.00 174.62 175.07 1b8m n ARG 60 N 4.03 0.84 -3.41 4.92 1.74 -0.37 -2.12 116.66 122.28 1b8m n ARG 60 Ca -0.20 -3.13 -0.36 0.00 -0.77 0.00 0.00 57.85 53.39 1b8m n ARG 60 Cb 0.52 1.11 -0.06 0.00 -1.02 0.00 0.00 32.46 33.01 1b8m n ARG 60 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1b8m n LYS 62 N 1.15 0.77 0.00 0.00 4.81 0.13 -4.74 118.16 120.27 1b8m n LYS 62 Ca -0.08 0.01 0.00 0.00 -0.87 0.00 0.00 58.31 57.36 1b8m n LYS 62 Cb 0.52 -1.50 0.00 0.00 0.02 0.00 0.00 35.03 34.07 1b8m n LYS 62 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 1b8m n ALA 63 N -1.09 0.00 -3.32 3.14 0.00 -1.26 -5.08 120.51 112.90 1b8m n ALA 63 Ca 0.20 0.00 -0.22 0.00 0.00 0.00 0.00 53.44 53.41 1b8m n ALA 63 Cb 0.14 0.00 0.06 0.00 0.00 0.00 0.00 19.45 19.65 1b8m n ALA 63 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1b8m n ALA 68 N -3.00 -1.12 -2.18 0.00 0.00 -1.26 -5.26 120.51 107.69 1b8m n ALA 68 Ca 0.00 0.35 -0.11 0.00 0.00 0.00 0.00 53.44 53.67 1b8m n ALA 68 Cb 0.00 -4.69 -0.10 0.00 0.00 0.00 0.00 19.45 14.66 1b8m n ALA 68 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.50 177.70 1b8m s GLY 69 N -3.07 0.87 0.23 0.00 0.00 -1.26 -5.11 107.32 98.98 1b8m s GLY 69 Ca 0.45 -1.41 -0.28 0.00 0.00 0.00 0.00 44.72 43.49 1b8m s GLY 69 CO 0.56 -1.47 0.63 0.61 0.00 0.00 0.00 173.10 173.43 1b8m n GLY 70 N -0.09 -1.42 3.72 0.20 0.00 -1.26 -4.90 105.19 101.44 1b8m n GLY 70 Ca -0.11 0.32 -0.32 0.00 0.00 0.00 0.00 46.02 45.92 1b8m n GLY 70 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1b8m s PRO 71 N -1.14 1.83 1.26 1.61 0.04 -1.26 -3.85 135.00 133.49 1b8m s PRO 71 Ca 0.63 1.52 0.00 0.00 0.04 0.00 0.00 61.00 63.18 1b8m s PRO 71 Cb -0.87 -1.82 0.00 0.00 0.04 0.00 0.00 34.50 31.85 1b8m s PRO 71 CO 0.57 -2.02 0.00 0.41 0.04 0.00 0.00 177.00 176.00 1b8m n GLY 72 N -0.12 1.55 0.00 0.56 0.00 -1.26 -4.77 105.19 101.15 1b8m n GLY 72 Ca 0.12 0.26 0.00 0.00 0.00 0.00 0.00 46.02 46.40 1b8m n GLY 72 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1b8m n ALA 73 N 2.33 0.00 -0.31 4.61 0.00 -1.25 -4.72 120.51 121.17 1b8m n ALA 73 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 1b8m n ALA 73 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.45 1b8m n ALA 73 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1b8m n GLY 74 N 0.00 2.39 2.53 0.00 0.00 -1.26 -4.91 105.19 103.95 1b8m n GLY 74 Ca 0.00 -0.15 -0.18 0.00 0.00 0.00 0.00 46.02 45.70 1b8m n GLY 74 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1b8m n GLY 75 N 0.00 -0.32 3.48 -0.02 0.00 -1.26 -4.95 105.19 102.12 1b8m n GLY 75 Ca 0.00 -0.11 -0.43 0.00 0.00 0.00 0.00 46.02 45.48 1b8m n GLY 75 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1b8m s GLY 76 N -2.47 1.69 0.00 -0.02 0.00 -1.26 -5.00 107.32 100.26 1b8m s GLY 76 Ca 0.11 -2.50 0.00 0.00 0.00 0.00 0.00 44.72 42.33 1b8m s GLY 76 CO 0.14 2.17 0.00 0.61 0.00 0.00 0.00 173.10 176.02 1b8m n GLY 77 N 5.76 1.30 3.83 0.20 0.00 -1.26 -4.53 105.19 110.49 1b8m n GLY 77 Ca 0.21 -2.02 -0.34 0.00 0.00 0.00 0.00 46.02 43.87 1b8m n GLY 77 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1b8m s ARG 79 N -2.75 4.29 0.00 0.00 3.52 -0.24 -3.16 118.95 120.61 1b8m s ARG 79 Ca 0.54 2.15 0.00 0.00 -0.13 0.00 0.00 55.73 58.29 1b8m s ARG 79 Cb -0.12 -3.22 0.00 0.00 -1.56 0.00 0.00 34.95 30.05 1b8m s ARG 79 CO 0.18 -0.47 0.00 0.41 -0.81 0.00 0.00 175.30 174.60 1b8m n GLY 80 N 3.49 1.22 3.77 8.12 0.00 -1.26 -4.62 105.19 115.90 1b8m n GLY 80 Ca 0.12 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.74 1b8m n GLY 80 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1b8m s VAL 81 N -2.70 4.52 -0.68 1.61 -7.23 -1.19 -4.94 120.40 109.79 1b8m s VAL 81 Ca 0.00 1.65 -0.26 0.00 -1.81 0.00 0.00 61.98 61.56 1b8m s VAL 81 Cb 0.00 -4.12 -0.12 0.00 0.56 0.00 0.00 36.38 32.70 1b8m s VAL 81 CO 0.00 0.47 2.42 -0.67 -0.31 0.00 0.00 175.10 177.00 1b8m n ASP 82 N 2.06 1.91 0.26 4.85 -0.08 -1.26 -4.79 116.55 119.50 1b8m n ASP 82 Ca -0.05 -1.06 0.18 0.00 -1.51 0.00 0.00 54.79 52.35 1b8m n ASP 82 Cb 0.49 -1.60 0.87 0.00 2.34 0.00 0.00 41.12 43.23 1b8m n ASP 82 CO 0.00 0.00 0.00 0.03 0.12 0.00 0.00 177.20 177.35 1b8m h ARG 83 N 15.44 0.00 0.00 -0.67 3.08 -1.93 0.24 114.38 130.54 1b8m h ARG 83 Ca -0.10 0.00 -0.11 0.00 0.07 0.00 0.00 59.98 59.85 1b8m h ARG 83 Cb 1.12 0.00 -0.02 0.00 0.08 0.00 0.00 29.97 31.15 1b8m h ARG 83 CO 1.09 0.00 -0.52 0.00 -1.07 0.00 0.00 179.97 179.47 1b8m h ARG 84 N 0.00 0.00 0.00 0.04 3.08 -2.02 -3.33 114.38 112.15 1b8m h ARG 84 Ca 0.06 0.00 -0.25 0.00 0.07 0.00 0.00 59.98 59.86 1b8m h ARG 84 Cb 0.58 0.00 -0.05 0.00 0.08 0.00 0.00 29.97 30.58 1b8m h ARG 84 CO -0.00 0.52 -1.95 0.72 -1.07 0.00 0.00 179.97 178.19 1b8m n HIS 85 N -3.65 0.00 -4.24 3.04 8.25 -0.18 -4.47 115.22 113.97 1b8m n HIS 85 Ca -0.01 0.00 -0.19 0.00 -0.26 0.00 0.00 57.72 57.26 1b8m n HIS 85 Cb 0.58 -0.68 -0.13 0.00 1.12 0.00 0.00 29.99 30.89 1b8m n HIS 85 CO 0.00 0.00 0.00 -1.58 0.64 0.00 0.00 176.34 175.40 1b8m s TRP 86 N -2.37 1.21 -0.27 4.41 0.52 -0.11 -1.66 118.94 120.68 1b8m s TRP 86 Ca -0.07 -0.41 -0.09 0.00 0.02 0.00 0.00 56.10 55.55 1b8m s TRP 86 Cb 0.04 -0.70 -0.04 0.00 -1.15 0.00 0.00 33.47 31.63 1b8m s TRP 86 CO 0.58 0.05 0.13 0.08 0.02 0.00 0.00 176.95 177.80 1b8m s VAL 87 N -1.09 4.81 0.37 4.03 1.01 -1.10 -4.42 120.40 124.01 1b8m s VAL 87 Ca -0.01 -0.01 0.04 0.00 0.00 0.00 0.00 61.98 62.01 1b8m s VAL 87 Cb -0.09 -3.27 -0.06 0.00 0.00 0.00 0.00 36.38 32.96 1b8m s VAL 87 CO 0.02 0.29 0.05 -0.94 0.00 0.00 0.00 175.10 174.52 1b8m s SER 88 N 1.69 2.97 -0.29 3.32 1.04 -1.26 0.10 113.70 121.28 1b8m s SER 88 Ca 0.07 -1.44 -0.16 0.00 0.48 0.00 0.00 55.95 54.89 1b8m s SER 88 Cb -0.16 -0.04 0.12 0.00 0.10 0.00 0.00 66.02 66.05 1b8m s SER 88 CO 0.07 -0.63 0.89 -0.70 0.98 0.00 0.00 173.24 173.85 1b8m s GLU 89 N -3.82 0.49 -0.04 4.02 2.12 -0.21 -4.16 118.70 117.09 1b8m s GLU 89 Ca 0.32 0.83 -0.30 0.00 0.36 0.00 0.00 54.97 56.18 1b8m s GLU 89 Cb 0.08 0.11 -0.03 0.00 0.26 0.00 0.00 34.13 34.54 1b8m s GLU 89 CO 0.15 -0.10 1.10 0.00 -0.54 0.00 0.00 175.26 175.86 1b8m s LYS 91 N 1.73 1.12 0.34 0.00 2.20 0.16 -4.94 119.74 120.36 1b8m s LYS 91 Ca 0.53 -1.49 -0.12 0.00 -0.36 0.00 0.00 55.97 54.54 1b8m s LYS 91 Cb -0.23 -0.70 -0.08 0.00 -1.51 0.00 0.00 37.83 35.32 1b8m s LYS 91 CO 0.23 0.08 0.71 0.00 -0.36 0.00 0.00 175.35 176.01 1b8m s ALA 92 N -3.28 3.38 0.06 3.13 0.00 -1.26 -0.34 121.76 123.44 1b8m s ALA 92 Ca 0.18 -0.13 0.07 0.00 0.00 0.00 0.00 51.96 52.08 1b8m s ALA 92 Cb 0.02 -2.67 -0.03 0.00 0.00 0.00 0.00 23.12 20.44 1b8m s ALA 92 CO 0.02 0.22 -0.15 0.21 0.00 0.00 0.00 175.76 176.06 1b8m s LYS 93 N -3.33 2.12 0.29 0.00 2.47 0.64 -4.87 119.74 117.06 1b8m s LYS 93 Ca 0.52 -0.97 0.08 0.00 -1.56 0.00 0.00 55.97 54.03 1b8m s LYS 93 Cb -0.10 -2.25 -0.04 0.00 -1.46 0.00 0.00 37.83 33.98 1b8m s LYS 93 CO 0.24 0.54 0.16 -0.65 0.16 0.00 0.00 175.35 175.80 1b8m s GLN 94 N -1.65 2.64 0.04 4.03 1.11 -1.26 -0.79 119.66 123.78 1b8m s GLN 94 Ca 0.17 -1.28 -0.08 0.00 0.01 0.00 0.00 55.36 54.18 1b8m s GLN 94 Cb -0.11 -2.39 -0.00 0.00 -1.01 0.00 0.00 33.01 29.50 1b8m s GLN 94 CO 0.08 0.27 0.15 -1.12 0.01 0.00 0.00 175.29 174.68 1b8m s SER 95 N -3.84 0.09 -0.08 5.90 0.01 -0.87 -4.85 113.70 110.07 1b8m s SER 95 Ca 0.35 -0.44 -0.11 0.00 1.31 0.00 0.00 55.95 57.07 1b8m s SER 95 Cb -0.06 0.26 -0.05 0.00 0.21 0.00 0.00 66.02 66.39 1b8m s SER 95 CO 0.24 -0.54 0.26 -0.31 0.41 0.00 0.00 173.24 173.30 1b8m s TYR 96 N -2.61 3.64 0.11 2.43 2.02 -1.26 -1.68 117.35 120.01 1b8m s TYR 96 Ca -0.05 0.72 0.04 0.00 -0.37 0.00 0.00 57.07 57.41 1b8m s TYR 96 Cb -0.01 -2.11 -0.04 0.00 -0.40 0.00 0.00 41.96 39.40 1b8m s TYR 96 CO -0.04 0.66 -0.10 0.14 -1.57 0.00 0.00 175.55 174.64 1b8m s VAL 97 N -0.93 1.00 -0.02 0.71 -7.23 -0.67 -4.90 120.40 108.35 1b8m s VAL 97 Ca 0.18 -1.83 -0.17 0.00 -1.81 0.00 0.00 61.98 58.35 1b8m s VAL 97 Cb -0.14 -1.58 -0.05 0.00 0.56 0.00 0.00 36.38 35.17 1b8m s VAL 97 CO 0.08 -0.66 0.48 -0.60 -0.31 0.00 0.00 175.10 174.09 1b8m s ARG 98 N -3.26 4.16 -0.03 4.82 6.06 -1.26 -0.89 118.95 128.54 1b8m s ARG 98 Ca 0.10 0.53 -0.13 0.00 -2.50 0.00 0.00 55.73 53.73 1b8m s ARG 98 Cb 0.00 -3.31 0.02 0.00 0.06 0.00 0.00 34.95 31.72 1b8m s ARG 98 CO -0.00 0.47 0.28 0.00 -2.50 0.00 0.00 175.30 173.55 1b8m s ALA 99 N -0.43 -0.71 -0.16 6.12 0.00 -0.36 -4.96 121.76 121.26 1b8m s ALA 99 Ca 0.26 0.38 -0.29 0.00 0.00 0.00 0.00 51.96 52.31 1b8m s ALA 99 Cb -0.17 -0.05 -0.01 0.00 0.00 0.00 0.00 23.12 22.90 1b8m s ALA 99 CO 0.14 -0.23 1.08 -1.17 0.00 0.00 0.00 175.76 175.58 1b8m s LEU 100 N -1.01 4.18 0.24 0.00 2.96 -1.26 -1.46 118.68 122.33 1b8m s LEU 100 Ca -0.11 1.53 -0.00 0.00 -0.22 0.00 0.00 54.13 55.33 1b8m s LEU 100 Cb -0.05 -3.55 -0.03 0.00 0.50 0.00 0.00 46.19 43.06 1b8m s LEU 100 CO 0.03 -0.60 0.21 0.42 -1.32 0.00 0.00 176.35 175.09 1b8m s THR 101 N 2.73 0.00 -0.08 3.68 -4.23 0.15 -2.63 115.64 115.25 1b8m s THR 101 Ca 0.48 -1.93 0.04 0.00 -1.18 0.00 0.00 61.69 59.10 1b8m s THR 101 Cb -0.18 -2.48 0.00 0.00 1.34 0.00 0.00 72.50 71.18 1b8m s THR 101 CO 0.13 0.00 -0.20 0.00 -0.54 0.00 0.00 174.62 174.01 1b8m s ALA 102 N -3.95 1.81 0.84 3.99 0.00 -0.06 -0.45 121.76 123.94 1b8m s ALA 102 Ca 0.37 -0.78 -0.07 0.00 0.00 0.00 0.00 51.96 51.49 1b8m s ALA 102 Cb 0.05 -0.68 0.14 0.00 0.00 0.00 0.00 23.12 22.62 1b8m s ALA 102 CO 0.15 0.25 0.85 -0.40 0.00 0.00 0.00 175.76 176.61 1b8m n ASP 103 N 3.49 0.47 -0.07 0.00 5.75 -0.67 -1.00 116.55 124.53 1b8m n ASP 103 Ca -0.20 -1.55 0.19 0.00 -0.01 0.00 0.00 54.79 53.22 1b8m n ASP 103 Cb 0.52 -0.61 0.62 0.00 -1.03 0.00 0.00 41.12 40.62 1b8m n ASP 103 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 1b8m h ALA 104 N -1.28 2.37 -0.30 2.12 0.00 -1.92 -1.52 119.26 118.73 1b8m h ALA 104 Ca -0.28 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.62 1b8m h ALA 104 Cb 0.86 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.65 1b8m h ALA 104 CO 0.23 -0.54 0.00 1.04 0.00 0.00 0.00 179.25 179.98 1b8m n GLN 105 N -4.41 2.11 0.00 0.00 3.00 -1.26 -4.96 117.38 111.85 1b8m n GLN 105 Ca 0.12 -1.68 0.00 0.00 -0.01 0.00 0.00 57.00 55.43 1b8m n GLN 105 Cb 0.59 -1.44 0.00 0.00 0.00 0.00 0.00 30.24 29.39 1b8m n GLN 105 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.06 177.47 1b8m n GLY 106 N 1.31 3.41 3.66 1.08 0.00 -0.57 -5.03 105.19 109.04 1b8m n GLY 106 Ca 0.17 0.00 -0.48 0.00 0.00 0.00 0.00 46.02 45.71 1b8m n GLY 106 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1b8m n ARG 107 N -1.83 2.08 -3.13 1.61 1.74 -1.26 -4.57 116.66 111.31 1b8m n ARG 107 Ca 0.00 0.74 -0.32 0.00 -0.77 0.00 0.00 57.85 57.50 1b8m n ARG 107 Cb 0.00 -2.67 -0.06 0.00 -1.02 0.00 0.00 32.46 28.71 1b8m n ARG 107 CO 0.00 0.00 0.00 0.08 -1.52 0.00 0.00 177.63 176.19 1b8m s VAL 108 N 4.63 4.70 0.00 1.55 1.01 -1.26 -1.66 120.40 129.36 1b8m s VAL 108 Ca 0.95 0.89 0.00 0.00 0.00 0.00 0.00 61.98 63.82 1b8m s VAL 108 Cb -0.68 -3.62 0.00 0.00 0.00 0.00 0.00 36.38 32.07 1b8m s VAL 108 CO 0.51 -0.21 0.00 0.61 0.00 0.00 0.00 175.10 176.00 1b8m n GLY 109 N -0.44 -0.08 3.64 4.51 0.00 0.40 -4.98 105.19 108.24 1b8m n GLY 109 Ca 0.03 -1.18 -0.40 0.00 0.00 0.00 0.00 46.02 44.48 1b8m n GLY 109 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 1b8m s TRP 110 N -2.00 3.31 0.14 1.61 0.52 -1.26 0.31 118.94 121.56 1b8m s TRP 110 Ca 0.00 0.71 0.02 0.00 0.02 0.00 0.00 56.10 56.85 1b8m s TRP 110 Cb 0.00 -2.71 -0.04 0.00 -1.15 0.00 0.00 33.47 29.56 1b8m s TRP 110 CO 0.00 -0.21 -0.03 1.03 0.02 0.00 0.00 176.95 177.76 1b8m s ARG 111 N 2.06 0.98 -0.09 4.98 0.52 -0.54 -4.93 118.95 121.93 1b8m s ARG 111 Ca 0.23 -1.44 -0.21 0.00 -0.52 0.00 0.00 55.73 53.79 1b8m s ARG 111 Cb -0.16 -0.23 -0.04 0.00 0.52 0.00 0.00 34.95 35.04 1b8m s ARG 111 CO 0.09 -0.08 0.60 -1.58 0.02 0.00 0.00 175.30 174.36 1b8m s TRP 112 N -3.65 3.54 0.10 -0.53 0.52 -1.26 -1.22 118.94 116.44 1b8m s TRP 112 Ca 0.18 1.08 0.06 0.00 0.02 0.00 0.00 56.10 57.44 1b8m s TRP 112 Cb 0.06 -2.70 -0.03 0.00 -1.15 0.00 0.00 33.47 29.65 1b8m s TRP 112 CO -0.00 0.11 -0.15 0.96 0.02 0.00 0.00 176.95 177.89 1b8m s ILE 113 N 0.78 1.29 -0.25 2.03 -4.36 -0.07 -2.56 121.20 118.06 1b8m s ILE 113 Ca 0.32 -1.50 -0.21 0.00 -0.26 0.00 0.00 60.65 59.00 1b8m s ILE 113 Cb -0.16 -1.32 -0.02 0.00 1.25 0.00 0.00 42.46 42.20 1b8m s ILE 113 CO 0.14 -0.27 0.68 -0.13 0.24 0.00 0.00 174.94 175.60 1b8m s ARG 114 N -2.12 4.12 0.26 0.37 0.52 -0.60 -1.67 118.95 119.83 1b8m s ARG 114 Ca 0.03 0.63 0.11 0.00 -0.52 0.00 0.00 55.73 55.99 1b8m s ARG 114 Cb -0.08 -3.65 -0.05 0.00 0.52 0.00 0.00 34.95 31.69 1b8m s ARG 114 CO 0.03 -0.44 -0.17 0.96 0.02 0.00 0.00 175.30 175.69 1b8m s ILE 115 N 2.58 2.63 -0.20 1.52 -4.36 -0.68 -4.49 121.20 118.21 1b8m s ILE 115 Ca 0.28 -2.24 -0.25 0.00 -0.26 0.00 0.00 60.65 58.18 1b8m s ILE 115 Cb -0.15 -2.36 -0.01 0.00 1.25 0.00 0.00 42.46 41.18 1b8m s ILE 115 CO 0.08 -0.33 0.83 -1.81 0.24 0.00 0.00 174.94 173.94 1b8m s ASP 116 N -3.36 6.90 -0.02 4.36 1.01 -1.26 -2.05 116.67 122.25 1b8m s ASP 116 Ca 0.28 1.11 0.04 0.00 0.71 0.00 0.00 52.55 54.69 1b8m s ASP 116 Cb -0.06 -2.44 0.07 0.00 1.01 0.00 0.00 42.92 41.50 1b8m s ASP 116 CO 0.15 -0.44 1.05 0.35 0.21 0.00 0.00 175.17 176.49 1b8m n THR 117 N 4.94 1.12 -3.61 -1.27 -2.24 0.03 -0.46 114.28 112.80 1b8m n THR 117 Ca 0.05 -1.16 -0.02 0.00 -2.27 0.00 0.00 64.05 60.64 1b8m n THR 117 Cb 0.48 0.40 -0.02 0.00 -2.10 0.00 0.00 70.33 69.10 1b8m n THR 117 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1b8m s ALA 118 N -1.25 -2.14 -0.24 6.98 0.00 -0.90 -4.57 121.76 119.64 1b8m s ALA 118 Ca 0.07 1.37 0.01 0.00 0.00 0.00 0.00 51.96 53.41 1b8m s ALA 118 Cb 0.05 -0.01 0.06 0.00 0.00 0.00 0.00 23.12 23.22 1b8m s ALA 118 CO 0.02 -0.73 -0.08 0.00 0.00 0.00 0.00 175.76 174.97 1b8m s VAL 120 N 1.30 2.90 -0.01 0.00 -7.23 0.54 -4.72 120.40 113.17 1b8m s VAL 120 Ca -0.06 -1.93 -0.27 0.00 -1.81 0.00 0.00 61.98 57.92 1b8m s VAL 120 Cb -0.19 -2.46 -0.04 0.00 0.56 0.00 0.00 36.38 34.25 1b8m s VAL 120 CO -0.06 -0.21 0.84 0.00 -0.31 0.00 0.00 175.10 175.36 1b8m s THR 122 N 0.67 3.06 -0.29 0.00 2.01 0.85 -4.95 115.64 116.98 1b8m s THR 122 Ca 0.44 -0.69 -0.13 0.00 0.31 0.00 0.00 61.69 61.62 1b8m s THR 122 Cb -0.20 -2.24 -0.03 0.00 0.01 0.00 0.00 72.50 70.03 1b8m s THR 122 CO 0.24 0.55 0.30 -0.76 -0.69 0.00 0.00 174.62 174.26 1b8m s LEU 123 N -0.12 4.16 -0.11 4.42 1.43 -1.26 -1.04 118.68 126.15 1b8m s LEU 123 Ca -0.01 0.01 -0.18 0.00 -1.03 0.00 0.00 54.13 52.92 1b8m s LEU 123 Cb -0.14 -2.28 -0.27 0.00 0.03 0.00 0.00 46.19 43.54 1b8m s LEU 123 CO 0.03 -0.17 0.58 -0.07 0.23 0.00 0.00 176.35 176.95 1b8m h LEU 124 N 8.54 0.31 -8.00 1.79 3.38 0.34 -3.49 115.31 118.19 1b8m h LEU 124 Ca -0.32 -0.84 0.05 0.00 0.09 0.00 0.00 57.88 56.85 1b8m h LEU 124 Cb 1.17 -0.10 -0.04 0.00 0.09 0.00 0.00 40.66 41.78 1b8m h LEU 124 CO 0.62 1.52 0.24 -0.94 0.09 0.00 0.00 178.44 179.97 1b8m s SER 125 N -6.93 -0.19 0.07 -0.43 1.04 -1.21 -4.98 113.70 101.07 1b8m s SER 125 Ca -0.20 -0.75 0.00 0.00 0.48 0.00 0.00 55.95 55.48 1b8m s SER 125 Cb 0.03 0.76 0.00 0.00 0.10 0.00 0.00 66.02 66.92 1b8m s SER 125 CO 0.75 -1.44 0.00 0.54 0.98 0.00 0.00 173.24 174.07 1b8m n ARG 126 N -0.48 0.00 0.00 4.02 1.74 -1.26 -2.71 116.66 117.97 1b8m n ARG 126 Ca -0.05 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 57.03 1b8m n ARG 126 Cb 0.59 0.00 0.00 0.00 -1.02 0.00 0.00 32.46 32.03 1b8m n ARG 126 CO 0.00 0.00 0.00 0.25 -1.52 0.00 0.00 177.63 176.36 1b8m n THR 127 N -0.06 0.00 -0.04 0.55 -2.24 -0.66 -4.92 114.28 106.91 1b8m n THR 127 Ca 0.00 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.78 1b8m n THR 127 Cb 0.00 0.00 0.00 0.00 -2.10 0.00 0.00 70.33 68.23 1b8m n THR 127 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1b8m n GLY 128 N -0.48 0.00 1.11 3.38 0.00 -1.26 -1.91 105.19 106.03 1b8m n GLY 128 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 1b8m n GLY 128 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 173.32 171.19 1b8m n ARG 129 N 0.00 0.00 0.00 1.61 3.00 -1.26 -5.02 116.66 114.99 1b8m n ARG 129 Ca 0.00 0.18 0.16 0.00 -0.00 0.00 0.00 57.85 58.19 1b8m n ARG 129 Cb 0.00 -1.11 0.94 0.00 0.00 0.00 0.00 32.46 32.29 1b8m n ARG 129 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.63 177.63