#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1a1x n GLY 4 N 0.00 0.80 3.73 0.00 0.00 -1.26 -5.06 105.19 103.40 1a1x n GLY 4 Ca 0.00 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.79 1a1x n GLY 4 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1a1x s GLU 5 N -0.61 2.32 -0.23 1.61 0.41 -1.26 -5.04 118.70 115.89 1a1x s GLU 5 Ca 0.00 -1.63 0.14 0.00 -0.41 0.00 0.00 54.97 53.07 1a1x s GLU 5 Cb 0.00 -2.12 0.46 0.00 -1.78 0.00 0.00 34.13 30.69 1a1x s GLU 5 CO 0.00 0.05 1.17 -0.25 -0.49 0.00 0.00 175.26 175.74 1a1x n ASP 6 N -1.17 3.03 0.17 -0.19 8.00 -1.26 -4.80 116.55 120.33 1a1x n ASP 6 Ca -0.02 -3.17 0.07 0.00 0.71 0.00 0.00 54.79 52.38 1a1x n ASP 6 Cb 0.62 -0.41 0.09 0.00 -0.02 0.00 0.00 41.12 41.40 1a1x n ASP 6 CO 0.00 0.00 0.00 1.62 -0.39 0.00 0.00 177.20 178.43 1a1x h VAL 7 N 3.31 0.44 0.00 2.53 3.04 -1.96 -3.50 116.25 120.11 1a1x h VAL 7 Ca 0.10 -1.63 0.00 0.00 -1.01 0.00 0.00 66.70 64.17 1a1x h VAL 7 Cb 1.41 2.20 0.00 0.00 -2.01 0.00 0.00 31.29 32.88 1a1x h VAL 7 CO 0.39 0.25 0.00 0.61 -1.01 0.00 0.00 177.57 177.81 1a1x n GLY 8 N 1.17 -1.71 3.78 3.17 0.00 -1.26 -4.93 105.19 105.41 1a1x n GLY 8 Ca 0.03 -1.53 -0.37 0.00 0.00 0.00 0.00 46.02 44.15 1a1x n GLY 8 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1a1x s ALA 9 N -1.28 3.21 0.72 4.61 0.00 -1.26 -5.06 121.76 122.70 1a1x s ALA 9 Ca 0.00 0.53 -0.11 0.00 0.00 0.00 0.00 51.96 52.38 1a1x s ALA 9 Cb 0.00 -3.19 0.02 0.00 0.00 0.00 0.00 23.12 19.96 1a1x s ALA 9 CO 0.00 0.16 1.07 -1.25 0.00 0.00 0.00 175.76 175.74 1a1x s PRO 10 N -2.08 2.73 0.35 0.00 0.04 -1.26 -4.98 135.00 129.80 1a1x s PRO 10 Ca 0.50 0.82 -0.28 0.00 0.04 0.00 0.00 61.00 62.08 1a1x s PRO 10 Cb -0.19 -1.98 -0.11 0.00 0.04 0.00 0.00 34.50 32.27 1a1x s PRO 10 CO 0.24 -1.21 1.42 -1.25 0.04 0.00 0.00 177.00 176.23 1a1x s PRO 11 N -5.11 4.22 0.38 0.56 0.04 -1.26 -4.90 135.00 128.93 1a1x s PRO 11 Ca 0.59 2.42 0.06 0.00 0.04 0.00 0.00 61.00 64.10 1a1x s PRO 11 Cb -0.14 -3.02 0.74 0.00 0.04 0.00 0.00 34.50 32.13 1a1x s PRO 11 CO 0.54 -0.39 1.99 0.22 0.04 0.00 0.00 177.00 179.40 1a1x h ASP 12 N 3.31 0.50 -5.01 6.66 3.58 -1.95 -3.41 116.42 120.10 1a1x h ASP 12 Ca -0.50 -0.04 -0.04 0.00 0.42 0.00 0.00 57.03 56.87 1a1x h ASP 12 Cb 1.23 -0.13 -0.15 0.00 1.72 0.00 0.00 39.33 42.01 1a1x h ASP 12 CO 0.66 0.44 0.12 -1.38 -2.88 0.00 0.00 179.24 176.20 1a1x s HIS 13 N -5.31 -0.49 -0.09 0.28 -3.43 -1.26 0.01 115.29 105.00 1a1x s HIS 13 Ca -0.08 0.47 -0.01 0.00 -0.80 0.00 0.00 55.06 54.63 1a1x s HIS 13 Cb 0.17 0.43 0.03 0.00 -1.43 0.00 0.00 32.58 31.78 1a1x s HIS 13 CO 0.75 -0.73 -0.01 -0.51 -2.00 0.00 0.00 174.74 172.24 1a1x s LEU 14 N -2.24 0.79 -0.16 5.38 1.43 -0.32 -3.70 118.68 119.87 1a1x s LEU 14 Ca -0.03 -0.22 -0.03 0.00 -1.03 0.00 0.00 54.13 52.82 1a1x s LEU 14 Cb -0.00 -0.54 -0.02 0.00 0.03 0.00 0.00 46.19 45.65 1a1x s LEU 14 CO -0.05 -0.19 -0.05 0.26 0.23 0.00 0.00 176.35 176.55 1a1x s TRP 15 N 1.90 2.99 0.49 0.29 0.52 0.01 -1.45 118.94 123.69 1a1x s TRP 15 Ca 0.04 -0.38 -0.23 0.00 0.02 0.00 0.00 56.10 55.55 1a1x s TRP 15 Cb -0.13 -1.96 -0.07 0.00 -1.15 0.00 0.00 33.47 30.17 1a1x s TRP 15 CO -0.06 -0.09 1.28 0.54 0.02 0.00 0.00 176.95 178.63 1a1x s VAL 16 N 0.45 2.56 -0.00 4.03 0.11 -0.48 -0.65 120.40 126.41 1a1x s VAL 16 Ca -0.04 0.44 -0.02 0.00 -2.93 0.00 0.00 61.98 59.42 1a1x s VAL 16 Cb -0.14 -3.23 -0.01 0.00 -1.53 0.00 0.00 36.38 31.46 1a1x s VAL 16 CO 0.03 0.01 -0.05 1.57 -3.33 0.00 0.00 175.10 173.33 1a1x n HIS 17 N -0.59 0.00 -4.18 1.54 -0.00 0.66 -4.86 115.22 107.79 1a1x n HIS 17 Ca 0.08 0.00 -0.12 0.00 0.46 0.00 0.00 57.72 58.14 1a1x n HIS 17 Cb 0.46 -0.12 -0.10 0.00 -0.12 0.00 0.00 29.99 30.11 1a1x n HIS 17 CO 0.00 0.00 0.00 -1.14 0.46 0.00 0.00 176.34 175.66 1a1x s GLN 18 N -2.09 0.86 -0.26 1.57 0.74 -1.14 -0.63 119.66 118.71 1a1x s GLN 18 Ca -0.05 -1.31 -0.39 0.00 0.05 0.00 0.00 55.36 53.66 1a1x s GLN 18 Cb 0.02 -0.32 -0.15 0.00 1.10 0.00 0.00 33.01 33.65 1a1x s GLN 18 CO 0.07 0.01 1.79 -1.91 -0.55 0.00 0.00 175.29 174.70 1a1x n GLU 19 N 0.07 1.28 -0.13 1.67 0.00 -1.26 -0.42 120.64 121.85 1a1x n GLU 19 Ca -0.13 0.47 0.00 0.00 0.00 0.00 0.00 57.16 57.50 1a1x n GLU 19 Cb 0.60 -2.19 0.00 0.00 0.00 0.00 0.00 31.44 29.85 1a1x n GLU 19 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.13 177.54 1a1x n GLY 20 N 4.36 2.10 3.17 8.31 0.00 -1.26 -5.00 105.19 116.86 1a1x n GLY 20 Ca 0.27 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.95 1a1x n GLY 20 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1a1x s ILE 21 N -2.91 2.39 0.38 -0.61 1.01 0.44 0.42 121.20 122.31 1a1x s ILE 21 Ca 0.00 -0.84 0.08 0.00 0.00 0.00 0.00 60.65 59.89 1a1x s ILE 21 Cb 0.00 -2.04 -0.05 0.00 0.01 0.00 0.00 42.46 40.38 1a1x s ILE 21 CO 0.00 0.50 0.10 -0.31 0.00 0.00 0.00 174.94 175.23 1a1x s TYR 22 N 1.33 2.59 -0.02 3.97 1.51 0.05 -0.24 117.35 126.55 1a1x s TYR 22 Ca 0.05 -0.51 0.02 0.00 -1.01 0.00 0.00 57.07 55.62 1a1x s TYR 22 Cb -0.13 -1.73 0.00 0.00 -0.11 0.00 0.00 41.96 39.99 1a1x s TYR 22 CO -0.10 0.33 -0.06 1.03 -1.11 0.00 0.00 175.55 175.64 1a1x s ARG 23 N -3.81 0.58 0.17 -0.62 0.52 0.17 -0.78 118.95 115.17 1a1x s ARG 23 Ca 0.38 -0.18 0.01 0.00 -0.52 0.00 0.00 55.73 55.42 1a1x s ARG 23 Cb 0.02 -0.58 0.03 0.00 0.52 0.00 0.00 34.95 34.94 1a1x s ARG 23 CO 0.21 0.07 0.23 -0.40 0.02 0.00 0.00 175.30 175.43 1a1x n ASP 24 N 3.26 0.40 0.21 0.23 5.68 -0.77 -0.81 116.55 124.74 1a1x n ASP 24 Ca -0.17 -1.32 0.14 0.00 -0.50 0.00 0.00 54.79 52.95 1a1x n ASP 24 Cb 0.56 -0.14 0.74 0.00 -1.14 0.00 0.00 41.12 41.14 1a1x n ASP 24 CO 0.00 0.00 0.00 1.05 -1.33 0.00 0.00 177.20 176.92 1a1x h GLU 25 N 0.00 0.00 -0.48 0.11 9.09 -1.91 -1.57 114.58 119.81 1a1x h GLU 25 Ca -0.08 0.00 0.00 0.00 0.05 0.00 0.00 59.36 59.33 1a1x h GLU 25 Cb 0.30 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 27.40 1a1x h GLU 25 CO 0.09 0.00 0.00 0.66 0.05 0.00 0.00 179.01 179.81 1a1x n TYR 26 N -2.47 0.63 -1.05 2.06 4.01 -1.26 -4.95 117.16 114.14 1a1x n TYR 26 Ca -0.02 -0.33 -0.02 0.00 -0.16 0.00 0.00 57.90 57.38 1a1x n TYR 26 Cb 0.06 -0.00 -0.01 0.00 -0.31 0.00 0.00 39.34 39.08 1a1x n TYR 26 CO 0.00 0.00 0.00 1.04 -0.46 0.00 0.00 176.86 177.44 1a1x n GLN 27 N 1.49 -0.73 -2.82 -0.72 6.02 -0.59 -5.00 117.38 115.02 1a1x n GLN 27 Ca 0.20 0.31 -0.37 0.00 -0.01 0.00 0.00 57.00 57.13 1a1x n GLN 27 Cb 0.60 -3.94 -0.06 0.00 1.02 0.00 0.00 30.24 27.85 1a1x n GLN 27 CO 0.00 0.00 0.00 1.03 -1.01 0.00 0.00 177.06 177.08 1a1x s ARG 28 N -1.15 4.58 0.14 -1.09 0.52 -1.26 -4.80 118.95 115.89 1a1x s ARG 28 Ca 0.00 1.29 -0.14 0.00 -0.52 0.00 0.00 55.73 56.37 1a1x s ARG 28 Cb 0.00 -2.89 -0.07 0.00 0.52 0.00 0.00 34.95 32.51 1a1x s ARG 28 CO 0.00 0.34 0.53 0.95 0.02 0.00 0.00 175.30 177.14 1a1x s THR 29 N -1.53 4.89 -0.03 0.02 -4.23 -1.26 -1.85 115.64 111.64 1a1x s THR 29 Ca 0.48 0.77 0.03 0.00 -1.18 0.00 0.00 61.69 61.79 1a1x s THR 29 Cb -0.20 -3.72 0.00 0.00 1.34 0.00 0.00 72.50 69.93 1a1x s THR 29 CO 0.25 0.24 -0.13 0.26 -0.54 0.00 0.00 174.62 174.69 1a1x s TRP 30 N -1.47 1.32 -0.22 3.99 0.52 0.04 -2.72 118.94 120.40 1a1x s TRP 30 Ca 0.38 -0.36 -0.08 0.00 0.02 0.00 0.00 56.10 56.05 1a1x s TRP 30 Cb -0.15 -0.91 -0.04 0.00 -1.15 0.00 0.00 33.47 31.22 1a1x s TRP 30 CO 0.19 -0.13 0.10 0.08 0.02 0.00 0.00 176.95 177.20 1a1x s VAL 31 N 0.13 4.83 -0.14 4.03 1.01 0.53 -0.77 120.40 130.03 1a1x s VAL 31 Ca -0.04 -0.01 -0.02 0.00 0.00 0.00 0.00 61.98 61.92 1a1x s VAL 31 Cb -0.10 -3.23 -0.02 0.00 0.00 0.00 0.00 36.38 33.03 1a1x s VAL 31 CO 0.01 0.38 -0.07 0.00 0.00 0.00 0.00 175.10 175.43 1a1x s ALA 32 N 0.96 2.89 0.08 5.51 0.00 0.17 -1.35 121.76 130.03 1a1x s ALA 32 Ca 0.05 -0.85 0.09 0.00 0.00 0.00 0.00 51.96 51.25 1a1x s ALA 32 Cb -0.14 -1.41 -0.03 0.00 0.00 0.00 0.00 23.12 21.54 1a1x s ALA 32 CO 0.03 0.28 -0.24 0.14 0.00 0.00 0.00 175.76 175.97 1a1x s VAL 33 N 0.19 1.94 -0.07 0.00 -7.23 -0.45 -4.67 120.40 110.11 1a1x s VAL 33 Ca -0.04 -1.48 -0.17 0.00 -1.81 0.00 0.00 61.98 58.48 1a1x s VAL 33 Cb -0.14 -1.71 -0.05 0.00 0.56 0.00 0.00 36.38 35.04 1a1x s VAL 33 CO 0.04 0.14 0.44 -0.69 -0.31 0.00 0.00 175.10 174.72 1a1x s VAL 34 N -0.97 5.12 -0.46 1.32 1.01 -1.26 -1.17 120.40 123.99 1a1x s VAL 34 Ca 0.10 0.90 0.02 0.00 0.00 0.00 0.00 61.98 63.00 1a1x s VAL 34 Cb -0.10 -3.77 0.14 0.00 0.00 0.00 0.00 36.38 32.65 1a1x s VAL 34 CO 0.04 0.43 0.27 -1.61 0.00 0.00 0.00 175.10 174.22 1a1x s GLU 35 N -0.03 1.34 -0.10 2.72 2.02 -0.28 -4.96 118.70 119.40 1a1x s GLU 35 Ca 0.25 -2.11 -0.27 0.00 0.02 0.00 0.00 54.97 52.85 1a1x s GLU 35 Cb -0.16 -2.33 -0.02 0.00 0.10 0.00 0.00 34.13 31.72 1a1x s GLU 35 CO 0.11 -1.19 0.90 -2.00 0.02 0.00 0.00 175.26 173.10 1a1x s GLU 36 N 0.20 4.40 0.49 1.61 2.12 -1.26 -2.41 118.70 123.85 1a1x s GLU 36 Ca 0.19 1.20 0.01 0.00 0.36 0.00 0.00 54.97 56.73 1a1x s GLU 36 Cb -0.20 -3.53 0.10 0.00 0.26 0.00 0.00 34.13 30.76 1a1x s GLU 36 CO -0.03 -0.22 0.68 0.39 -0.54 0.00 0.00 175.26 175.54 1a1x n GLU 37 N 4.73 0.20 -0.05 4.30 -0.58 0.64 -5.00 120.64 124.89 1a1x n GLU 37 Ca 0.05 -1.94 -0.14 0.00 -0.42 0.00 0.00 57.16 54.72 1a1x n GLU 37 Cb 0.49 -0.42 -0.08 0.00 -0.57 0.00 0.00 31.44 30.87 1a1x n GLU 37 CO 0.00 0.00 0.00 1.15 -0.48 0.00 0.00 177.13 177.80 1a1x h THR 38 N -0.45 1.37 0.00 2.62 2.02 -2.04 -3.34 112.91 113.09 1a1x h THR 38 Ca -0.22 -1.41 0.00 0.00 0.77 0.00 0.00 66.41 65.55 1a1x h THR 38 Cb 0.86 2.00 0.00 0.00 -1.74 0.00 0.00 68.15 69.26 1a1x h THR 38 CO 0.25 0.41 -0.96 -1.20 0.37 0.00 0.00 175.52 174.39 1a1x n SER 39 N -4.53 0.73 -2.96 4.18 7.64 -1.26 -5.02 113.62 112.40 1a1x n SER 39 Ca -0.07 -0.58 -0.10 0.00 1.01 0.00 0.00 58.87 59.13 1a1x n SER 39 Cb 0.39 0.85 0.01 0.00 -1.01 0.00 0.00 64.21 64.45 1a1x n SER 39 CO 0.00 0.00 0.00 0.72 -3.01 0.00 0.00 175.04 172.75 1a1x s PHE 40 N -3.08 0.36 -0.02 1.43 -0.71 -1.25 -5.12 117.98 109.58 1a1x s PHE 40 Ca 0.07 -0.94 0.06 0.00 -1.04 0.00 0.00 56.93 55.08 1a1x s PHE 40 Cb 0.16 0.62 -0.01 0.00 -1.21 0.00 0.00 43.02 42.58 1a1x s PHE 40 CO 0.82 -1.48 -0.21 -1.17 -1.34 0.00 0.00 175.22 171.83 1a1x s LEU 41 N -3.12 2.03 0.12 -1.99 0.20 -1.26 -0.26 118.68 114.41 1a1x s LEU 41 Ca 0.19 -0.39 0.09 0.00 0.69 0.00 0.00 54.13 54.71 1a1x s LEU 41 Cb -0.04 -1.11 -0.04 0.00 -0.43 0.00 0.00 46.19 44.58 1a1x s LEU 41 CO 0.14 0.25 -0.21 -0.13 -0.29 0.00 0.00 176.35 176.11 1a1x s ARG 42 N -0.43 1.22 -0.08 1.98 0.52 -1.01 -1.46 118.95 119.68 1a1x s ARG 42 Ca 0.06 -1.26 0.02 0.00 -0.52 0.00 0.00 55.73 54.04 1a1x s ARG 42 Cb -0.09 -1.48 0.01 0.00 0.52 0.00 0.00 34.95 33.92 1a1x s ARG 42 CO -0.00 0.33 -0.14 0.00 0.02 0.00 0.00 175.30 175.51 1a1x s ALA 43 N -1.36 1.49 -0.27 2.13 0.00 0.30 -1.13 121.76 122.93 1a1x s ALA 43 Ca 0.10 -0.57 -0.08 0.00 0.00 0.00 0.00 51.96 51.40 1a1x s ALA 43 Cb -0.09 -0.69 -0.03 0.00 0.00 0.00 0.00 23.12 22.32 1a1x s ALA 43 CO 0.05 0.06 0.11 0.50 0.00 0.00 0.00 175.76 176.48 1a1x s ARG 44 N 0.77 3.61 -0.16 0.00 3.52 -0.32 -0.84 118.95 125.53 1a1x s ARG 44 Ca -0.12 -0.52 0.01 0.00 -0.13 0.00 0.00 55.73 54.97 1a1x s ARG 44 Cb -0.16 -3.43 0.01 0.00 -1.56 0.00 0.00 34.95 29.81 1a1x s ARG 44 CO 0.02 -0.25 -0.19 0.08 -0.81 0.00 0.00 175.30 174.16 1a1x s VAL 45 N 1.63 2.27 -0.03 7.11 1.01 0.24 -1.34 120.40 131.29 1a1x s VAL 45 Ca 0.06 -0.89 0.07 0.00 0.00 0.00 0.00 61.98 61.22 1a1x s VAL 45 Cb -0.16 -1.94 -0.02 0.00 0.00 0.00 0.00 36.38 34.27 1a1x s VAL 45 CO 0.05 0.53 -0.26 -1.10 0.00 0.00 0.00 175.10 174.33 1a1x s GLN 46 N 0.96 2.26 -0.89 2.72 -0.21 -0.45 0.12 119.66 124.16 1a1x s GLN 46 Ca -0.03 -0.92 -0.24 0.00 0.02 0.00 0.00 55.36 54.19 1a1x s GLN 46 Cb -0.15 -2.08 0.06 0.00 1.00 0.00 0.00 33.01 31.83 1a1x s GLN 46 CO -0.04 0.50 1.31 -1.14 -2.12 0.00 0.00 175.29 173.80 1a1x s GLN 47 N -0.47 3.42 -0.04 2.91 -0.44 -0.64 -0.35 119.66 124.06 1a1x s GLN 47 Ca 0.06 -0.90 0.03 0.00 -2.50 0.00 0.00 55.36 52.05 1a1x s GLN 47 Cb -0.11 -4.83 0.00 0.00 -1.64 0.00 0.00 33.01 26.43 1a1x s GLN 47 CO 0.01 -2.10 -0.13 0.42 0.50 0.00 0.00 175.29 173.99 1a1x s ILE 48 N 4.84 1.12 -0.31 -2.34 1.01 -1.10 -4.50 121.20 119.92 1a1x s ILE 48 Ca 0.39 -0.53 -0.29 0.00 0.00 0.00 0.00 60.65 60.22 1a1x s ILE 48 Cb -0.05 -0.99 -0.01 0.00 0.01 0.00 0.00 42.46 41.43 1a1x s ILE 48 CO -0.00 0.34 1.53 -1.58 0.00 0.00 0.00 174.94 175.22 1a1x s GLN 49 N 0.23 3.68 0.20 2.79 0.74 -1.26 -4.28 119.66 121.76 1a1x s GLN 49 Ca -0.06 1.34 0.08 0.00 0.05 0.00 0.00 55.36 56.77 1a1x s GLN 49 Cb -0.11 -4.03 -0.05 0.00 1.10 0.00 0.00 33.01 29.92 1a1x s GLN 49 CO 0.02 -1.43 -0.14 0.14 -0.55 0.00 0.00 175.29 173.33 1a1x s VAL 50 N 5.38 1.70 0.64 1.34 -7.23 -1.26 -5.10 120.40 115.87 1a1x s VAL 50 Ca 0.67 -2.17 -0.16 0.00 -1.81 0.00 0.00 61.98 58.51 1a1x s VAL 50 Cb -0.20 -2.01 -0.01 0.00 0.56 0.00 0.00 36.38 34.72 1a1x s VAL 50 CO 0.30 -0.58 1.11 -2.16 -0.31 0.00 0.00 175.10 173.45 1a1x s PRO 51 N -3.57 2.92 -0.10 4.82 0.04 -1.26 -4.97 135.00 132.89 1a1x s PRO 51 Ca 0.21 1.42 0.03 0.00 0.04 0.00 0.00 61.00 62.71 1a1x s PRO 51 Cb -0.01 -1.96 0.00 0.00 0.04 0.00 0.00 34.50 32.57 1a1x s PRO 51 CO 0.06 -1.16 -0.21 -0.51 0.04 0.00 0.00 177.00 175.22 1a1x s LEU 52 N -4.66 1.97 0.00 -3.56 1.43 -1.26 -5.11 118.68 107.50 1a1x s LEU 52 Ca 0.68 -0.50 0.00 0.00 -1.03 0.00 0.00 54.13 53.28 1a1x s LEU 52 Cb -0.21 -1.27 0.00 0.00 0.03 0.00 0.00 46.19 44.74 1a1x s LEU 52 CO 0.39 0.12 0.00 0.61 0.23 0.00 0.00 176.35 177.69 1a1x n GLY 53 N 3.67 2.96 3.79 -3.19 0.00 -1.26 -5.08 105.19 106.07 1a1x n GLY 53 Ca -0.20 -1.20 -0.35 0.00 0.00 0.00 0.00 46.02 44.27 1a1x n GLY 53 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1a1x s ASP 54 N 0.03 6.35 0.26 1.61 1.01 -1.26 -5.00 116.67 119.68 1a1x s ASP 54 Ca 0.00 2.02 -0.29 0.00 0.71 0.00 0.00 52.55 54.98 1a1x s ASP 54 Cb 0.00 -2.57 -0.09 0.00 1.01 0.00 0.00 42.92 41.26 1a1x s ASP 54 CO 0.00 -0.78 1.14 0.00 0.21 0.00 0.00 175.17 175.74 1a1x s ALA 55 N -1.84 3.42 0.57 5.23 0.00 -1.26 -4.77 121.76 123.11 1a1x s ALA 55 Ca 0.65 0.94 -0.17 0.00 0.00 0.00 0.00 51.96 53.38 1a1x s ALA 55 Cb -0.20 -3.36 -0.04 0.00 0.00 0.00 0.00 23.12 19.52 1a1x s ALA 55 CO 0.24 -0.24 1.08 0.00 0.00 0.00 0.00 175.76 176.84 1a1x s ALA 56 N -0.93 2.70 0.25 0.00 0.00 0.20 -5.01 121.76 118.97 1a1x s ALA 56 Ca 0.46 0.57 -0.30 0.00 0.00 0.00 0.00 51.96 52.70 1a1x s ALA 56 Cb -0.33 -3.29 -0.09 0.00 0.00 0.00 0.00 23.12 19.42 1a1x s ALA 56 CO 0.41 -0.80 1.05 1.03 0.00 0.00 0.00 175.76 177.46 1a1x s ARG 57 N -3.72 4.69 0.54 0.00 1.81 -1.26 -4.93 118.95 116.09 1a1x s ARG 57 Ca 0.67 1.69 0.28 0.00 -1.72 0.00 0.00 55.73 56.66 1a1x s ARG 57 Cb -0.19 -3.24 1.44 0.00 -0.45 0.00 0.00 34.95 32.52 1a1x s ARG 57 CO 0.32 0.27 1.95 -1.35 -0.68 0.00 0.00 175.30 175.81 1a1x h PRO 58 N 4.19 0.00 -0.70 3.54 0.11 -1.98 -0.80 132.00 136.36 1a1x h PRO 58 Ca -0.46 0.00 0.06 0.00 0.11 0.00 0.00 66.00 65.71 1a1x h PRO 58 Cb 1.21 0.00 -0.04 0.00 0.11 0.00 0.00 31.00 32.28 1a1x h PRO 58 CO 0.68 0.00 0.46 0.66 -0.21 0.00 0.00 178.00 179.59 1a1x h SER 59 N 0.00 0.65 0.88 -2.05 4.64 -2.02 -0.98 113.55 114.67 1a1x h SER 59 Ca 0.32 0.00 -0.20 0.00 -0.47 0.00 0.00 61.79 61.45 1a1x h SER 59 Cb 1.31 -0.14 -0.02 0.00 -0.31 0.00 0.00 62.40 63.24 1a1x h SER 59 CO -0.00 0.43 -0.92 0.45 -0.87 0.00 0.00 176.83 175.91 1a1x h HIS 60 N 0.74 0.04 0.00 4.77 3.86 -1.53 -3.30 115.15 119.74 1a1x h HIS 60 Ca 0.30 -0.03 0.00 0.00 -1.16 0.00 0.00 60.37 59.48 1a1x h HIS 60 Cb 0.22 -0.00 0.00 0.00 1.06 0.00 0.00 27.41 28.68 1a1x h HIS 60 CO -0.00 0.93 -0.07 1.28 0.86 0.00 0.00 177.93 180.93 1a1x n LEU 61 N -3.47 0.79 0.10 2.43 4.77 -0.50 -3.96 117.00 117.16 1a1x n LEU 61 Ca -0.01 0.53 0.09 0.00 -0.03 0.00 0.00 56.01 56.60 1a1x n LEU 61 Cb 0.87 -0.30 0.57 0.00 -2.33 0.00 0.00 43.42 42.22 1a1x n LEU 61 CO 0.46 -0.16 1.13 -0.07 -1.33 0.00 0.00 177.39 177.42 1a1x h LEU 62 N 0.00 0.18 0.00 2.23 3.38 -1.31 -2.55 115.31 117.25 1a1x h LEU 62 Ca 0.00 -0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 1a1x h LEU 62 Cb 0.74 -0.04 0.00 0.00 0.09 0.00 0.00 40.66 41.44 1a1x h LEU 62 CO 0.00 0.12 -0.56 0.35 0.09 0.00 0.00 178.44 178.45 1a1x n THR 63 N -4.49 0.17 -1.65 0.22 -2.24 -1.25 -4.97 114.28 100.08 1a1x n THR 63 Ca 0.03 -0.14 -0.36 0.00 -2.27 0.00 0.00 64.05 61.30 1a1x n THR 63 Cb 0.21 0.03 0.08 0.00 -2.10 0.00 0.00 70.33 68.55 1a1x n THR 63 CO 0.00 0.00 0.00 -0.55 -0.57 0.00 0.00 175.07 173.95 1a1x s SER 64 N -3.62 4.44 0.36 3.42 0.15 -0.96 -4.94 113.70 112.55 1a1x s SER 64 Ca 0.09 2.59 0.19 0.00 0.70 0.00 0.00 55.95 59.52 1a1x s SER 64 Cb 0.15 -2.61 0.23 0.00 -1.71 0.00 0.00 66.02 62.08 1a1x s SER 64 CO 0.71 -2.11 1.54 1.56 1.20 0.00 0.00 173.24 176.13 1a1x h GLN 65 N 0.32 0.00 -6.34 5.44 4.20 -1.93 -3.45 115.11 113.35 1a1x h GLN 65 Ca -0.50 0.00 -0.55 0.00 0.06 0.00 0.00 58.65 57.66 1a1x h GLN 65 Cb 1.33 0.00 -0.03 0.00 0.30 0.00 0.00 27.48 29.09 1a1x h GLN 65 CO 0.52 0.27 -0.21 -0.51 -0.67 0.00 0.00 178.83 178.24 1a1x s LEU 66 N -6.36 4.17 0.73 1.46 1.02 -1.26 -5.10 118.68 113.34 1a1x s LEU 66 Ca 0.05 0.71 -0.10 0.00 0.02 0.00 0.00 54.13 54.81 1a1x s LEU 66 Cb 0.07 -3.48 0.05 0.00 0.02 0.00 0.00 46.19 42.85 1a1x s LEU 66 CO 0.71 -0.06 1.09 -2.16 0.02 0.00 0.00 176.35 175.94 1a1x s PRO 67 N -3.01 2.38 0.29 1.29 0.04 -1.26 -4.98 135.00 129.75 1a1x s PRO 67 Ca 0.44 0.12 0.12 0.00 0.04 0.00 0.00 61.00 61.72 1a1x s PRO 67 Cb -0.11 -2.06 0.41 0.00 0.04 0.00 0.00 34.50 32.78 1a1x s PRO 67 CO 0.25 -1.26 1.63 -0.07 0.04 0.00 0.00 177.00 177.60 1a1x h LEU 68 N -0.74 0.00 -7.02 -3.56 3.38 -1.94 -3.44 115.31 101.99 1a1x h LEU 68 Ca -0.45 0.00 -0.05 0.00 0.09 0.00 0.00 57.88 57.47 1a1x h LEU 68 Cb 1.30 0.00 -0.17 0.00 0.09 0.00 0.00 40.66 41.88 1a1x h LEU 68 CO 0.64 0.57 0.18 0.00 0.09 0.00 0.00 178.44 179.91 1a1x s MET 69 N -3.58 1.12 -0.03 1.13 0.23 -1.26 -1.38 119.30 115.52 1a1x s MET 69 Ca -0.01 -0.00 0.04 0.00 -1.03 0.00 0.00 55.69 54.69 1a1x s MET 69 Cb 0.12 0.52 -0.00 0.00 -1.53 0.00 0.00 34.83 33.94 1a1x s MET 69 CO 0.75 -0.40 -0.16 -1.58 -2.03 0.00 0.00 175.02 171.60 1a1x s TRP 70 N -2.05 1.52 -0.09 3.16 0.51 -0.53 -2.60 118.94 118.86 1a1x s TRP 70 Ca -0.07 -0.39 0.02 0.00 -2.12 0.00 0.00 56.10 53.54 1a1x s TRP 70 Cb -0.00 -1.02 0.01 0.00 -0.81 0.00 0.00 33.47 31.65 1a1x s TRP 70 CO 0.02 -0.12 -0.13 -1.14 -0.51 0.00 0.00 176.95 175.07 1a1x s GLN 71 N -0.04 1.91 0.11 4.98 0.74 -0.11 -1.17 119.66 126.08 1a1x s GLN 71 Ca -0.01 -0.46 -0.34 0.00 0.05 0.00 0.00 55.36 54.60 1a1x s GLN 71 Cb -0.10 -1.63 -0.13 0.00 1.10 0.00 0.00 33.01 32.25 1a1x s GLN 71 CO 0.01 -0.04 1.63 -0.11 -0.55 0.00 0.00 175.29 176.24 1a1x n LEU 72 N 4.09 3.13 -4.37 3.68 7.94 0.10 -1.09 117.00 130.48 1a1x n LEU 72 Ca -0.20 1.06 -0.26 0.00 -1.11 0.00 0.00 56.01 55.50 1a1x n LEU 72 Cb 0.51 -1.41 -0.12 0.00 0.53 0.00 0.00 43.42 42.93 1a1x n LEU 72 CO 0.24 -0.26 -0.53 -0.47 -1.11 0.00 0.00 177.39 175.26 1a1x s TYR 73 N 1.56 2.10 0.60 1.96 5.04 0.86 -4.84 117.35 124.62 1a1x s TYR 73 Ca 0.82 -0.40 -0.18 0.00 -2.44 0.00 0.00 57.07 54.87 1a1x s TYR 73 Cb -0.69 -1.08 -0.05 0.00 0.35 0.00 0.00 41.96 40.49 1a1x s TYR 73 CO 0.41 0.37 0.95 -2.30 -1.34 0.00 0.00 175.55 173.64 1a1x n PRO 74 N 0.57 0.87 -2.52 4.97 -0.02 -1.26 -3.10 135.00 134.51 1a1x n PRO 74 Ca -0.15 0.34 -0.04 0.00 -2.02 0.00 0.00 63.50 61.63 1a1x n PRO 74 Cb 0.55 -2.15 0.01 0.00 -0.02 0.00 0.00 33.50 31.89 1a1x n PRO 74 CO 0.00 0.00 0.00 0.39 1.98 0.00 0.00 175.50 177.87 1a1x n GLU 75 N -0.99 -1.00 -3.65 -0.52 -0.58 -1.26 -4.34 120.64 108.30 1a1x n GLU 75 Ca 0.14 0.13 -0.21 0.00 -0.42 0.00 0.00 57.16 56.80 1a1x n GLU 75 Cb 0.47 -3.22 0.00 0.00 -0.57 0.00 0.00 31.44 28.13 1a1x n GLU 75 CO 0.00 0.00 0.00 0.39 -0.48 0.00 0.00 177.13 177.04 1a1x n GLU 76 N -1.22 -1.40 -3.64 3.49 -0.58 -1.24 -4.88 120.64 111.17 1a1x n GLU 76 Ca -0.01 0.85 -0.09 0.00 -0.42 0.00 0.00 57.16 57.49 1a1x n GLU 76 Cb 0.51 -3.12 -0.02 0.00 -0.57 0.00 0.00 31.44 28.24 1a1x n GLU 76 CO 0.00 0.00 0.00 -0.98 -0.48 0.00 0.00 177.13 175.67 1a1x s ARG 77 N -4.77 1.50 0.02 3.49 1.70 -1.18 -2.03 118.95 117.68 1a1x s ARG 77 Ca 0.06 -0.72 0.08 0.00 -0.47 0.00 0.00 55.73 54.68 1a1x s ARG 77 Cb -0.03 0.58 -0.03 0.00 -0.57 0.00 0.00 34.95 34.91 1a1x s ARG 77 CO 0.87 -0.67 -0.22 0.71 -1.08 0.00 0.00 175.30 174.90 1a1x s TYR 78 N -3.79 2.45 -0.18 5.89 2.02 0.45 -0.10 117.35 124.09 1a1x s TYR 78 Ca 0.06 -0.33 -0.05 0.00 -0.37 0.00 0.00 57.07 56.38 1a1x s TYR 78 Cb -0.03 -1.46 -0.03 0.00 -0.40 0.00 0.00 41.96 40.04 1a1x s TYR 78 CO -0.03 0.15 0.00 1.41 -1.57 0.00 0.00 175.55 175.52 1a1x s MET 79 N -1.16 3.72 0.26 -0.62 -2.45 -0.25 -0.15 119.30 118.65 1a1x s MET 79 Ca 0.12 -0.48 -0.02 0.00 -1.25 0.00 0.00 55.69 54.07 1a1x s MET 79 Cb -0.10 -3.05 0.06 0.00 1.25 0.00 0.00 34.83 32.98 1a1x s MET 79 CO 0.03 0.15 0.36 -0.40 1.05 0.00 0.00 175.02 176.21 1a1x n ASP 80 N 3.83 0.33 0.17 1.11 5.68 -0.43 -0.93 116.55 126.31 1a1x n ASP 80 Ca -0.17 -1.32 0.13 0.00 -0.50 0.00 0.00 54.79 52.93 1a1x n ASP 80 Cb 0.52 -0.25 0.55 0.00 -1.14 0.00 0.00 41.12 40.80 1a1x n ASP 80 CO 0.00 0.00 0.00 -0.55 -1.33 0.00 0.00 177.20 175.32 1a1x h ASN 81 N -0.30 0.00 -0.56 -1.12 -1.07 -1.84 -2.48 115.58 108.21 1a1x h ASN 81 Ca -0.12 0.00 0.00 0.00 0.07 0.00 0.00 56.30 56.25 1a1x h ASN 81 Cb 0.40 0.00 0.00 0.00 -2.07 0.00 0.00 38.32 36.65 1a1x h ASN 81 CO 0.11 0.00 0.00 0.59 0.07 0.00 0.00 177.43 178.20 1a1x n ASN 82 N -2.45 3.44 0.00 6.14 5.03 -1.26 -4.94 115.26 121.23 1a1x n ASN 82 Ca 0.02 -1.98 0.00 0.00 0.87 0.00 0.00 54.58 53.48 1a1x n ASN 82 Cb 0.24 -0.37 0.00 0.00 -1.02 0.00 0.00 39.78 38.63 1a1x n ASN 82 CO 0.00 0.00 0.00 -1.20 -1.83 0.00 0.00 177.26 174.23 1a1x n SER 83 N 1.41 -3.30 -4.84 6.41 7.64 -0.93 -5.03 113.62 114.99 1a1x n SER 83 Ca 0.21 0.00 -0.32 0.00 1.01 0.00 0.00 58.87 59.77 1a1x n SER 83 Cb 0.57 -1.09 -0.06 0.00 -1.01 0.00 0.00 64.21 62.62 1a1x n SER 83 CO 0.00 0.00 0.00 -0.13 -3.01 0.00 0.00 175.04 171.90 1a1x s ARG 84 N -0.41 4.08 -0.10 1.43 0.52 -1.26 -4.80 118.95 118.41 1a1x s ARG 84 Ca 0.00 0.94 -0.04 0.00 -0.52 0.00 0.00 55.73 56.11 1a1x s ARG 84 Cb 0.00 -2.24 -0.04 0.00 0.52 0.00 0.00 34.95 33.20 1a1x s ARG 84 CO 0.00 -0.05 0.05 -0.51 0.02 0.00 0.00 175.30 174.81 1a1x s LEU 85 N -3.41 3.88 -0.17 2.53 1.02 -1.26 -1.31 118.68 119.96 1a1x s LEU 85 Ca 0.59 0.26 0.01 0.00 0.02 0.00 0.00 54.13 55.00 1a1x s LEU 85 Cb -0.10 -1.91 0.02 0.00 0.02 0.00 0.00 46.19 44.22 1a1x s LEU 85 CO 0.20 0.38 -0.16 0.26 0.02 0.00 0.00 176.35 177.04 1a1x s TRP 86 N -0.87 2.49 0.07 0.29 0.52 0.78 -1.20 118.94 121.02 1a1x s TRP 86 Ca 0.13 -1.47 -0.30 0.00 0.02 0.00 0.00 56.10 54.49 1a1x s TRP 86 Cb -0.12 -1.75 -0.05 0.00 -1.15 0.00 0.00 33.47 30.40 1a1x s TRP 86 CO 0.03 -0.74 1.04 -1.14 0.02 0.00 0.00 176.95 176.15 1a1x s GLN 87 N 1.38 4.58 -0.56 4.98 2.00 0.78 -0.41 119.66 132.41 1a1x s GLN 87 Ca 0.04 1.54 -0.26 0.00 -2.00 0.00 0.00 55.36 54.68 1a1x s GLN 87 Cb -0.13 -3.39 0.03 0.00 0.80 0.00 0.00 33.01 30.32 1a1x s GLN 87 CO -0.11 -0.00 1.08 0.42 -0.50 0.00 0.00 175.29 176.17 1a1x s ILE 88 N 0.55 4.20 0.09 -2.34 1.01 -0.86 -0.94 121.20 122.91 1a1x s ILE 88 Ca 0.52 0.66 0.01 0.00 0.00 0.00 0.00 60.65 61.84 1a1x s ILE 88 Cb -0.25 -4.63 -0.25 0.00 0.01 0.00 0.00 42.46 37.34 1a1x s ILE 88 CO 0.30 -1.21 1.19 1.56 0.00 0.00 0.00 174.94 176.77 1a1x h GLN 89 N 9.41 0.14 -1.96 2.79 4.20 -0.61 -3.48 115.11 125.60 1a1x h GLN 89 Ca -0.25 -0.24 -0.05 0.00 0.06 0.00 0.00 58.65 58.17 1a1x h GLN 89 Cb 1.06 0.09 -0.20 0.00 0.30 0.00 0.00 27.48 28.74 1a1x h GLN 89 CO 1.14 1.10 0.21 -3.38 -0.67 0.00 0.00 178.83 177.23 1a1x s HIS 90 N -2.68 -0.65 -0.28 2.96 -3.43 -1.19 -4.99 115.29 105.02 1a1x s HIS 90 Ca -0.02 1.18 -0.04 0.00 -0.80 0.00 0.00 55.06 55.38 1a1x s HIS 90 Cb 0.08 0.40 0.10 0.00 -1.43 0.00 0.00 32.58 31.73 1a1x s HIS 90 CO 0.85 -0.56 0.12 -1.58 -2.00 0.00 0.00 174.74 171.57 1a1x s HIS 91 N -1.00 0.52 0.27 0.38 2.46 -1.26 -0.92 115.29 115.74 1a1x s HIS 91 Ca -0.09 -0.96 -0.03 0.00 0.47 0.00 0.00 55.06 54.45 1a1x s HIS 91 Cb -0.01 -1.00 -0.02 0.00 -0.13 0.00 0.00 32.58 31.42 1a1x s HIS 91 CO 0.08 -0.81 0.33 -0.48 -2.47 0.00 0.00 174.74 171.39 1a1x s LEU 92 N 2.03 0.98 -0.28 8.88 0.05 -0.69 -4.70 118.68 124.94 1a1x s LEU 92 Ca 0.08 -1.34 -0.14 0.00 0.05 0.00 0.00 54.13 52.79 1a1x s LEU 92 Cb -0.16 1.04 -0.04 0.00 -2.05 0.00 0.00 46.19 44.98 1a1x s LEU 92 CO -0.32 -1.06 0.31 -0.32 -0.55 0.00 0.00 176.35 174.40 1a1x s MET 93 N -3.75 3.93 -0.19 1.48 -2.45 -1.26 0.31 119.30 117.37 1a1x s MET 93 Ca 0.33 -0.15 0.01 0.00 -1.25 0.00 0.00 55.69 54.63 1a1x s MET 93 Cb 0.03 -3.68 0.03 0.00 1.25 0.00 0.00 34.83 32.46 1a1x s MET 93 CO 0.15 -0.28 -0.14 0.08 1.05 0.00 0.00 175.02 175.89 1a1x s VAL 94 N 1.95 1.80 -1.41 10.11 1.01 0.47 -4.71 120.40 129.62 1a1x s VAL 94 Ca 0.12 -0.99 -0.05 0.00 0.00 0.00 0.00 61.98 61.06 1a1x s VAL 94 Cb -0.16 -1.78 0.02 0.00 0.00 0.00 0.00 36.38 34.47 1a1x s VAL 94 CO 0.11 0.30 0.40 0.54 0.00 0.00 0.00 175.10 176.44 1a1x n ARG 95 N 4.65 -3.62 -0.53 2.72 3.00 -1.26 -1.48 116.66 120.14 1a1x n ARG 95 Ca -0.17 0.73 0.00 0.00 -0.01 0.00 0.00 57.85 58.41 1a1x n ARG 95 Cb 0.48 -5.48 0.00 0.00 0.00 0.00 0.00 32.46 27.45 1a1x n ARG 95 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.63 178.04 1a1x n GLY 96 N -1.23 0.98 3.46 -0.13 0.00 -1.26 -5.04 105.19 101.96 1a1x n GLY 96 Ca -0.10 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.58 1a1x n GLY 96 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1a1x s VAL 97 N -3.16 3.34 0.15 1.61 1.01 -0.55 -5.08 120.40 117.72 1a1x s VAL 97 Ca 0.00 -0.58 -0.30 0.00 0.00 0.00 0.00 61.98 61.10 1a1x s VAL 97 Cb 0.00 -2.39 -0.08 0.00 0.00 0.00 0.00 36.38 33.91 1a1x s VAL 97 CO 0.00 0.55 1.31 -1.58 0.00 0.00 0.00 175.10 175.38 1a1x s GLN 98 N -0.10 4.38 -0.03 2.72 0.74 -1.26 -0.39 119.66 125.72 1a1x s GLN 98 Ca -0.01 2.00 0.02 0.00 0.05 0.00 0.00 55.36 57.43 1a1x s GLN 98 Cb -0.14 -3.24 0.01 0.00 1.10 0.00 0.00 33.01 30.75 1a1x s GLN 98 CO 0.03 -0.30 -0.07 -2.00 -0.55 0.00 0.00 175.29 172.41 1a1x s GLU 99 N 0.44 0.80 -0.09 1.67 2.12 0.15 -1.63 118.70 122.16 1a1x s GLU 99 Ca 0.59 -0.21 0.01 0.00 0.36 0.00 0.00 54.97 55.71 1a1x s GLU 99 Cb -0.35 -0.77 -0.02 0.00 0.26 0.00 0.00 34.13 33.24 1a1x s GLU 99 CO 0.34 0.05 -0.10 -0.51 -0.54 0.00 0.00 175.26 174.50 1a1x s LEU 100 N 0.36 2.96 -0.30 2.70 1.43 0.12 -1.71 118.68 124.25 1a1x s LEU 100 Ca -0.05 -0.15 0.01 0.00 -1.03 0.00 0.00 54.13 52.91 1a1x s LEU 100 Cb -0.09 -1.65 0.07 0.00 0.03 0.00 0.00 46.19 44.55 1a1x s LEU 100 CO 0.00 0.29 -0.02 -0.22 0.23 0.00 0.00 176.35 176.63 1a1x s LEU 101 N -0.36 3.99 -0.06 1.79 2.96 -0.10 -0.59 118.68 126.31 1a1x s LEU 101 Ca 0.04 -1.56 -0.03 0.00 -0.22 0.00 0.00 54.13 52.37 1a1x s LEU 101 Cb -0.12 -1.64 -0.04 0.00 0.50 0.00 0.00 46.19 44.89 1a1x s LEU 101 CO 0.02 -0.28 0.08 -0.76 -1.32 0.00 0.00 176.35 174.09 1a1x s LEU 102 N 1.11 3.96 -0.13 -0.68 1.43 -0.02 0.16 118.68 124.52 1a1x s LEU 102 Ca -0.03 0.25 0.00 0.00 -1.03 0.00 0.00 54.13 53.33 1a1x s LEU 102 Cb -0.20 -2.09 0.02 0.00 0.03 0.00 0.00 46.19 43.95 1a1x s LEU 102 CO -0.04 0.34 -0.13 -0.75 0.23 0.00 0.00 176.35 176.00 1a1x s LYS 103 N -1.28 2.09 -0.17 1.70 2.20 -0.12 -0.54 119.74 123.62 1a1x s LYS 103 Ca 0.18 -0.48 -0.29 0.00 -0.36 0.00 0.00 55.97 55.01 1a1x s LYS 103 Cb -0.12 -1.93 -0.02 0.00 -1.51 0.00 0.00 37.83 34.25 1a1x s LYS 103 CO 0.08 -0.20 1.44 -1.17 -0.36 0.00 0.00 175.35 175.14 1a1x s LEU 104 N 1.42 4.10 0.32 5.43 2.96 -0.54 -0.16 118.68 132.22 1a1x s LEU 104 Ca 0.02 1.73 -0.06 0.00 -0.22 0.00 0.00 54.13 55.61 1a1x s LEU 104 Cb -0.13 -3.54 -0.05 0.00 0.50 0.00 0.00 46.19 42.97 1a1x s LEU 104 CO -0.08 -0.96 0.61 -0.76 -1.32 0.00 0.00 176.35 173.83 1a1x s LEU 105 N 4.15 3.99 0.41 -0.68 1.43 -0.34 -4.57 118.68 123.07 1a1x s LEU 105 Ca 0.63 0.80 -0.26 0.00 -1.03 0.00 0.00 54.13 54.27 1a1x s LEU 105 Cb -0.24 -3.63 -0.08 0.00 0.03 0.00 0.00 46.19 42.26 1a1x s LEU 105 CO 0.23 -0.25 1.27 -2.16 0.23 0.00 0.00 176.35 175.67 1a1x s PRO 106 N -3.68 3.94 0.10 1.29 0.04 -1.26 -4.58 135.00 130.86 1a1x s PRO 106 Ca 0.45 2.09 -0.31 0.00 0.04 0.00 0.00 61.00 63.27 1a1x s PRO 106 Cb -0.11 -2.71 -0.08 0.00 0.04 0.00 0.00 34.50 31.64 1a1x s PRO 106 CO 0.31 -0.49 1.51 0.34 0.04 0.00 0.00 177.00 178.71 1a1x s ASP 107 N -0.84 6.70 0.00 6.66 -1.08 -1.26 -4.91 116.67 121.94 1a1x s ASP 107 Ca 0.58 2.43 0.03 0.00 -0.52 0.00 0.00 52.55 55.06 1a1x s ASP 107 Cb -0.36 -2.58 0.02 0.00 -1.46 0.00 0.00 42.92 38.54 1a1x s ASP 107 CO 0.46 -0.77 0.59 -0.67 0.52 0.00 0.00 175.17 175.30