#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1x31 n LEU 7 N 0.00 0.00 -4.12 1.08 4.77 -1.26 -4.80 117.00 112.67 1x31 n LEU 7 Ca 0.00 0.00 -0.10 0.00 -0.03 0.00 0.00 56.01 55.88 1x31 n LEU 7 Cb 0.00 0.00 -0.10 0.00 -2.33 0.00 0.00 43.42 40.99 1x31 n LEU 7 CO 0.00 0.00 -0.38 0.00 -1.33 0.00 0.00 177.39 175.68 1x31 s ARG 8 N 0.00 0.69 -0.05 3.23 1.70 -1.26 -5.15 118.95 118.11 1x31 s ARG 8 Ca 0.00 -1.15 -0.01 0.00 -0.47 0.00 0.00 55.73 54.11 1x31 s ARG 8 Cb 0.00 -0.11 0.03 0.00 -0.57 0.00 0.00 34.95 34.29 1x31 s ARG 8 CO 0.00 -0.03 0.01 0.50 -1.08 0.00 0.00 175.30 174.70 1x31 s ARG 9 N -3.25 0.40 0.58 3.89 3.52 -1.26 -5.15 118.95 117.69 1x31 s ARG 9 Ca 0.05 0.12 -0.19 0.00 -0.13 0.00 0.00 55.73 55.57 1x31 s ARG 9 Cb 0.02 -0.70 -0.04 0.00 -1.56 0.00 0.00 34.95 32.67 1x31 s ARG 9 CO -0.05 -0.22 1.18 -1.54 -0.81 0.00 0.00 175.30 173.86 1x31 s SER 10 N 1.53 5.37 0.59 -2.12 1.04 -1.26 -4.92 113.70 113.94 1x31 s SER 10 Ca -0.02 2.31 0.32 0.00 0.48 0.00 0.00 55.95 59.04 1x31 s SER 10 Cb -0.13 -2.59 1.87 0.00 0.10 0.00 0.00 66.02 65.27 1x31 s SER 10 CO -0.03 -1.47 2.24 -0.65 0.98 0.00 0.00 173.24 174.31 1x31 h PRO 11 N 0.99 0.00 -0.29 4.02 0.11 -1.97 -2.42 132.00 132.44 1x31 h PRO 11 Ca -0.50 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.61 1x31 h PRO 11 Cb 1.29 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.40 1x31 h PRO 11 CO 0.56 0.02 0.00 0.00 -0.21 0.00 0.00 178.00 178.37 1x31 n ALA 12 N -2.26 2.18 -0.12 -0.75 0.00 -1.26 -4.71 120.51 113.58 1x31 n ALA 12 Ca -0.03 -1.09 -0.05 0.00 0.00 0.00 0.00 53.44 52.28 1x31 n ALA 12 Cb 0.11 -0.39 0.02 0.00 0.00 0.00 0.00 19.45 19.20 1x31 n ALA 12 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1x31 h ALA 13 N 1.82 0.23 0.00 0.00 0.00 -1.80 -0.17 119.26 119.34 1x31 h ALA 13 Ca 0.00 0.16 0.00 0.00 0.00 0.00 0.00 54.91 55.07 1x31 h ALA 13 Cb 0.68 0.36 0.00 0.00 0.00 0.00 0.00 17.79 18.84 1x31 h ALA 13 CO 0.00 -0.48 0.00 -2.39 0.00 0.00 0.00 179.25 176.38 1x31 n HIS 14 N -5.34 0.00 0.01 0.00 1.44 -1.26 -2.01 115.22 108.06 1x31 n HIS 14 Ca 0.03 0.00 0.05 0.00 -2.01 0.00 0.00 57.72 55.78 1x31 n HIS 14 Cb 0.25 -0.22 0.10 0.00 0.12 0.00 0.00 29.99 30.23 1x31 n HIS 14 CO 0.00 0.00 0.00 1.28 -2.81 0.00 0.00 176.34 174.81 1x31 n LEU 15 N -1.22 2.48 -0.18 2.39 4.77 -0.09 -4.68 117.00 120.47 1x31 n LEU 15 Ca 0.05 -1.71 -0.02 0.00 -0.03 0.00 0.00 56.01 54.30 1x31 n LEU 15 Cb 0.06 -0.14 0.08 0.00 -2.33 0.00 0.00 43.42 41.10 1x31 n LEU 15 CO 0.06 0.59 0.97 0.00 -1.33 0.00 0.00 177.39 177.68 1x31 h ALA 16 N 1.72 0.69 -0.33 -1.18 0.00 -1.28 0.04 119.26 118.92 1x31 h ALA 16 Ca 0.00 0.08 -0.03 0.00 0.00 0.00 0.00 54.91 54.96 1x31 h ALA 16 Cb 0.60 0.06 -0.01 0.00 0.00 0.00 0.00 17.79 18.44 1x31 h ALA 16 CO 0.00 -0.21 0.08 0.00 0.00 0.00 0.00 179.25 179.12 1x31 h ALA 17 N 1.38 0.43 -0.54 0.00 0.00 -1.83 -1.20 119.26 117.50 1x31 h ALA 17 Ca 0.27 -0.18 0.01 0.00 0.00 0.00 0.00 54.91 55.01 1x31 h ALA 17 Cb 0.32 -0.13 -0.03 0.00 0.00 0.00 0.00 17.79 17.96 1x31 h ALA 17 CO -0.28 0.10 0.36 0.00 0.00 0.00 0.00 179.25 179.42 1x31 h ALA 18 N 0.92 0.69 -0.37 0.00 0.00 -1.74 -0.20 119.26 118.56 1x31 h ALA 18 Ca 0.10 -0.04 -0.09 0.00 0.00 0.00 0.00 54.91 54.89 1x31 h ALA 18 Cb 0.30 -0.22 -0.02 0.00 0.00 0.00 0.00 17.79 17.85 1x31 h ALA 18 CO 0.00 0.13 -0.12 0.52 0.00 0.00 0.00 179.25 179.78 1x31 h MET 19 N 0.73 0.66 -0.42 0.00 2.86 -0.89 -2.45 114.93 115.42 1x31 h MET 19 Ca 0.20 -0.21 -0.09 0.00 -2.06 0.00 0.00 59.70 57.54 1x31 h MET 19 Cb -0.08 -0.06 -0.01 0.00 0.06 0.00 0.00 31.60 31.50 1x31 h MET 19 CO -0.04 0.76 -0.10 1.49 1.06 0.00 0.00 176.91 180.08 1x31 h GLU 20 N 0.60 0.81 0.00 1.72 4.81 -0.78 -2.83 114.58 118.91 1x31 h GLU 20 Ca 0.10 -0.31 0.00 0.00 -0.13 0.00 0.00 59.36 59.03 1x31 h GLU 20 Cb 0.56 -0.05 0.00 0.00 0.63 0.00 0.00 28.75 29.89 1x31 h GLU 20 CO 0.03 0.93 0.00 0.00 -0.73 0.00 0.00 179.01 179.24 1x31 h ALA 21 N 0.85 1.00 -0.00 2.92 0.00 -0.79 -2.73 119.26 120.51 1x31 h ALA 21 Ca 0.11 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.02 1x31 h ALA 21 Cb 0.63 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.42 1x31 h ALA 21 CO 0.04 0.00 -0.10 0.00 0.00 0.00 0.00 179.25 179.19 1x31 n ALA 22 N -1.87 2.68 -1.65 0.00 0.00 -0.95 -4.93 120.51 113.81 1x31 n ALA 22 Ca 0.01 -0.21 -0.45 0.00 0.00 0.00 0.00 53.44 52.80 1x31 n ALA 22 Cb 0.24 -1.38 -0.02 0.00 0.00 0.00 0.00 19.45 18.28 1x31 n ALA 22 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.50 175.59 1x31 n GLU 23 N -1.21 1.79 -4.99 0.00 2.13 -1.03 -4.86 120.64 112.47 1x31 n GLU 23 Ca 0.12 0.63 -0.31 0.00 0.66 0.00 0.00 57.16 58.26 1x31 n GLU 23 Cb 0.29 -2.20 -0.14 0.00 0.27 0.00 0.00 31.44 29.66 1x31 n GLU 23 CO 0.00 0.00 0.00 0.08 -0.41 0.00 0.00 177.13 176.80 1x31 s VAL 24 N -0.47 2.53 0.44 6.31 1.01 -0.40 -4.99 120.40 124.84 1x31 s VAL 24 Ca 0.65 -1.05 0.06 0.00 0.00 0.00 0.00 61.98 61.64 1x31 s VAL 24 Cb -0.68 -1.97 -0.04 0.00 0.00 0.00 0.00 36.38 33.69 1x31 s VAL 24 CO 0.54 0.50 0.15 0.00 0.00 0.00 0.00 175.10 176.30 1x31 s ALA 25 N -0.74 3.67 0.00 5.51 0.00 -1.26 -2.28 121.76 126.66 1x31 s ALA 25 Ca 0.12 -1.83 0.00 0.00 0.00 0.00 0.00 51.96 50.25 1x31 s ALA 25 Cb -0.10 -0.26 0.00 0.00 0.00 0.00 0.00 23.12 22.76 1x31 s ALA 25 CO 0.01 -0.17 0.00 0.41 0.00 0.00 0.00 175.76 176.01 1x31 n GLY 26 N -1.25 -1.79 0.28 0.00 0.00 -1.26 -4.02 105.19 97.15 1x31 n GLY 26 Ca -0.04 -1.88 0.14 0.00 0.00 0.00 0.00 46.02 44.24 1x31 n GLY 26 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 1x31 h GLU 27 N 0.00 0.00 -0.72 1.61 5.08 -1.97 -1.78 114.58 116.80 1x31 h GLU 27 Ca 0.00 0.00 -0.45 0.00 -1.00 0.00 0.00 59.36 57.91 1x31 h GLU 27 Cb 0.00 0.00 -0.26 0.00 0.50 0.00 0.00 28.75 28.99 1x31 h GLU 27 CO 0.00 0.05 0.17 0.54 -1.00 0.00 0.00 179.01 178.77 1x31 n ARG 28 N -3.80 2.47 -1.96 2.33 1.74 -1.26 -4.67 116.66 111.51 1x31 n ARG 28 Ca -0.03 -3.37 -0.37 0.00 -0.77 0.00 0.00 57.85 53.31 1x31 n ARG 28 Cb 0.14 -2.10 0.03 0.00 -1.02 0.00 0.00 32.46 29.51 1x31 n ARG 28 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1x31 s ALA 29 N -3.48 2.75 -0.28 7.54 0.00 -0.67 -4.42 121.76 123.20 1x31 s ALA 29 Ca 0.54 1.14 -0.22 0.00 0.00 0.00 0.00 51.96 53.41 1x31 s ALA 29 Cb 0.45 -3.49 0.09 0.00 0.00 0.00 0.00 23.12 20.17 1x31 s ALA 29 CO 0.02 -1.15 0.80 0.54 0.00 0.00 0.00 175.76 175.97 1x31 s VAL 30 N -1.45 0.00 0.16 0.00 0.11 -0.96 -1.78 120.40 116.47 1x31 s VAL 30 Ca 0.72 0.00 0.07 0.00 -2.93 0.00 0.00 61.98 59.84 1x31 s VAL 30 Cb -0.34 -1.00 -0.04 0.00 -1.53 0.00 0.00 36.38 33.46 1x31 s VAL 30 CO 0.40 0.00 -0.15 0.42 -3.33 0.00 0.00 175.10 172.43 1x31 s THR 31 N 0.70 1.58 -0.04 5.04 -4.23 0.22 -1.27 115.64 117.64 1x31 s THR 31 Ca -0.02 -1.91 -0.00 0.00 -1.18 0.00 0.00 61.69 58.58 1x31 s THR 31 Cb -0.05 -1.76 0.03 0.00 1.34 0.00 0.00 72.50 72.05 1x31 s THR 31 CO -0.07 -0.43 0.01 -0.22 -0.54 0.00 0.00 174.62 173.37 1x31 s LEU 32 N -2.74 0.98 0.10 4.79 2.96 -1.26 -1.16 118.68 122.35 1x31 s LEU 32 Ca 0.14 -0.03 -0.10 0.00 -0.22 0.00 0.00 54.13 53.93 1x31 s LEU 32 Cb -0.04 -0.25 0.00 0.00 0.50 0.00 0.00 46.19 46.40 1x31 s LEU 32 CO 0.05 -0.13 0.24 0.00 -1.32 0.00 0.00 176.35 175.19 1x31 s ARG 33 N 1.28 0.91 0.02 1.98 1.70 -0.60 -4.36 118.95 119.88 1x31 s ARG 33 Ca -0.06 -0.93 -0.10 0.00 -0.47 0.00 0.00 55.73 54.17 1x31 s ARG 33 Cb -0.13 0.37 -0.05 0.00 -0.57 0.00 0.00 34.95 34.56 1x31 s ARG 33 CO -0.02 -0.31 0.34 -2.00 -1.08 0.00 0.00 175.30 172.23 1x31 s GLU 34 N -3.86 3.72 -0.44 3.89 2.12 -1.26 0.14 118.70 123.00 1x31 s GLU 34 Ca 0.05 0.14 -0.09 0.00 0.36 0.00 0.00 54.97 55.44 1x31 s GLU 34 Cb 0.04 -3.10 0.10 0.00 0.26 0.00 0.00 34.13 31.44 1x31 s GLU 34 CO -0.10 0.64 0.30 0.08 -0.54 0.00 0.00 175.26 175.64 1x31 s VAL 35 N -1.25 4.16 0.26 3.70 1.01 0.21 -4.89 120.40 123.60 1x31 s VAL 35 Ca 0.27 -1.64 -0.02 0.00 0.00 0.00 0.00 61.98 60.59 1x31 s VAL 35 Cb -0.14 -3.66 -0.05 0.00 0.00 0.00 0.00 36.38 32.53 1x31 s VAL 35 CO 0.15 -0.65 0.49 0.00 0.00 0.00 0.00 175.10 175.08 1x31 s ALA 36 N 1.38 3.72 -1.48 5.51 0.00 -1.26 -4.21 121.76 125.42 1x31 s ALA 36 Ca 0.05 -0.72 -0.07 0.00 0.00 0.00 0.00 51.96 51.22 1x31 s ALA 36 Cb -0.25 -2.15 0.05 0.00 0.00 0.00 0.00 23.12 20.78 1x31 s ALA 36 CO 0.00 0.28 0.68 1.19 0.00 0.00 0.00 175.76 177.91 1x31 n PHE 37 N -0.95 -1.87 -2.60 0.00 3.72 -1.26 -4.99 117.46 109.51 1x31 n PHE 37 Ca -0.03 0.81 -0.22 0.00 -0.05 0.00 0.00 57.45 57.96 1x31 n PHE 37 Cb 0.54 -3.76 0.05 0.00 -0.94 0.00 0.00 39.48 35.37 1x31 n PHE 37 CO 0.00 0.00 0.00 0.95 -0.05 0.00 0.00 176.76 177.66 1x31 s THR 38 N -3.62 2.52 -0.20 4.37 -4.23 -1.26 -4.17 115.64 109.04 1x31 s THR 38 Ca 0.30 -0.63 -0.15 0.00 -1.18 0.00 0.00 61.69 60.04 1x31 s THR 38 Cb -0.16 -2.89 -0.04 0.00 1.34 0.00 0.00 72.50 70.75 1x31 s THR 38 CO 0.87 0.00 0.35 -0.89 -0.54 0.00 0.00 174.62 174.41 1x31 s THR 39 N -2.87 5.24 -0.12 3.99 2.01 0.19 -4.78 115.64 119.29 1x31 s THR 39 Ca 0.59 0.61 0.00 0.00 0.31 0.00 0.00 61.69 63.20 1x31 s THR 39 Cb -0.09 -3.68 0.02 0.00 0.01 0.00 0.00 72.50 68.76 1x31 s THR 39 CO 0.40 0.28 -0.10 -1.10 -0.69 0.00 0.00 174.62 173.41 1x31 s GLN 40 N 1.18 1.79 -0.11 4.92 -0.21 -1.25 -1.07 119.66 124.91 1x31 s GLN 40 Ca 0.17 -0.37 0.03 0.00 0.02 0.00 0.00 55.36 55.21 1x31 s GLN 40 Cb -0.14 -1.73 0.01 0.00 1.00 0.00 0.00 33.01 32.15 1x31 s GLN 40 CO 0.07 -0.22 -0.20 -0.51 -2.12 0.00 0.00 175.29 172.32 1x31 s LEU 41 N 1.50 1.94 -0.13 2.90 1.43 0.10 -0.14 118.68 126.28 1x31 s LEU 41 Ca 0.02 -0.50 -0.26 0.00 -1.03 0.00 0.00 54.13 52.37 1x31 s LEU 41 Cb -0.13 -1.25 -0.02 0.00 0.03 0.00 0.00 46.19 44.82 1x31 s LEU 41 CO -0.07 0.09 0.83 -0.83 0.23 0.00 0.00 176.35 176.59 1x31 s GLY 42 N 0.66 2.29 -0.06 -3.19 0.00 0.35 -0.27 107.32 107.10 1x31 s GLY 42 Ca -0.13 0.12 0.05 0.00 0.00 0.00 0.00 44.72 44.76 1x31 s GLY 42 CO 0.03 1.58 -0.21 1.08 0.00 0.00 0.00 173.10 175.59 1x31 s LEU 43 N 1.77 1.97 -0.07 0.66 1.43 -0.50 -1.34 118.68 122.59 1x31 s LEU 43 Ca 0.40 -0.44 0.01 0.00 -1.03 0.00 0.00 54.13 53.07 1x31 s LEU 43 Cb -0.17 -1.18 0.02 0.00 0.03 0.00 0.00 46.19 44.89 1x31 s LEU 43 CO 0.15 0.17 -0.10 -0.13 0.23 0.00 0.00 176.35 176.67 1x31 s ARG 44 N 0.12 1.49 -0.29 1.70 1.81 -0.10 -0.73 118.95 122.96 1x31 s ARG 44 Ca -0.09 -0.31 -0.25 0.00 -1.72 0.00 0.00 55.73 53.36 1x31 s ARG 44 Cb -0.14 -1.35 0.16 0.00 -0.45 0.00 0.00 34.95 33.16 1x31 s ARG 44 CO 0.04 -0.07 1.26 0.00 -0.68 0.00 0.00 175.30 175.85 1x31 s ALA 45 N 1.01 -2.12 0.01 2.13 0.00 -1.07 -1.54 121.76 120.18 1x31 s ALA 45 Ca -0.08 1.77 -0.26 0.00 0.00 0.00 0.00 51.96 53.38 1x31 s ALA 45 Cb -0.15 -1.63 -0.04 0.00 0.00 0.00 0.00 23.12 21.30 1x31 s ALA 45 CO -0.00 -0.16 0.82 0.08 0.00 0.00 0.00 175.76 176.50 1x31 s VAL 46 N 0.12 4.82 0.05 0.00 1.01 -1.26 -4.50 120.40 120.64 1x31 s VAL 46 Ca 0.06 1.73 -0.34 0.00 0.00 0.00 0.00 61.98 63.43 1x31 s VAL 46 Cb -0.05 -4.16 -0.13 0.00 0.00 0.00 0.00 36.38 32.04 1x31 s VAL 46 CO -0.12 0.28 1.74 -2.65 0.00 0.00 0.00 175.10 174.36 1x31 n PRO 47 N 3.32 2.25 0.00 2.72 -0.02 -1.26 -1.60 135.00 140.41 1x31 n PRO 47 Ca 0.00 0.82 0.00 0.00 -2.02 0.00 0.00 63.50 62.30 1x31 n PRO 47 Cb 0.51 -2.64 0.00 0.00 -0.02 0.00 0.00 33.50 31.35 1x31 n PRO 47 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1x31 n GLY 48 N 3.94 1.00 3.93 -1.23 0.00 -1.26 -5.09 105.19 106.47 1x31 n GLY 48 Ca 0.19 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.96 1x31 n GLY 48 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1x31 s SER 49 N -1.87 5.46 0.15 1.61 1.04 -0.63 -4.97 113.70 114.50 1x31 s SER 49 Ca 0.00 0.55 -0.10 0.00 0.48 0.00 0.00 55.95 56.88 1x31 s SER 49 Cb 0.00 -1.51 -0.01 0.00 0.10 0.00 0.00 66.02 64.60 1x31 s SER 49 CO 0.00 -1.11 1.51 0.71 0.98 0.00 0.00 173.24 175.33 1x31 h THR 50 N -0.15 1.27 -0.89 2.02 1.35 -1.99 -2.30 112.91 112.23 1x31 h THR 50 Ca -0.45 -1.50 0.01 0.00 -0.55 0.00 0.00 66.41 63.92 1x31 h THR 50 Cb 1.27 1.30 -0.04 0.00 -1.73 0.00 0.00 68.15 68.94 1x31 h THR 50 CO 0.59 0.51 0.58 1.23 -0.25 0.00 0.00 175.52 178.18 1x31 h GLY 51 N 0.82 1.25 0.85 5.82 0.00 -1.89 0.14 103.07 110.07 1x31 h GLY 51 Ca 0.08 -0.48 -0.04 0.00 0.00 0.00 0.00 47.33 46.89 1x31 h GLY 51 CO 0.09 0.47 0.01 0.84 0.00 0.00 0.00 176.54 177.95 1x31 h HIS 52 N 1.20 0.46 -0.61 5.60 6.17 -1.75 -0.19 115.15 126.04 1x31 h HIS 52 Ca 0.32 -0.07 -0.03 0.00 0.71 0.00 0.00 60.37 61.29 1x31 h HIS 52 Cb -0.12 -0.12 -0.03 0.00 2.52 0.00 0.00 27.41 29.66 1x31 h HIS 52 CO -0.01 0.58 0.24 0.00 0.71 0.00 0.00 177.93 179.45 1x31 h ALA 53 N 0.83 1.28 -0.23 5.26 0.00 -1.07 -0.14 119.26 125.18 1x31 h ALA 53 Ca 0.07 -0.16 -0.05 0.00 0.00 0.00 0.00 54.91 54.77 1x31 h ALA 53 Cb 0.38 -0.25 -0.01 0.00 0.00 0.00 0.00 17.79 17.92 1x31 h ALA 53 CO 0.01 0.53 -0.04 0.00 0.00 0.00 0.00 179.25 179.76 1x31 h ALA 54 N 1.39 0.31 -0.62 0.00 0.00 -0.48 -2.40 119.26 117.46 1x31 h ALA 54 Ca 0.21 -0.25 -0.06 0.00 0.00 0.00 0.00 54.91 54.81 1x31 h ALA 54 Cb 0.18 -0.08 -0.03 0.00 0.00 0.00 0.00 17.79 17.86 1x31 h ALA 54 CO -0.02 0.08 0.15 -0.07 0.00 0.00 0.00 179.25 179.40 1x31 h LEU 55 N 0.17 0.95 -1.90 0.00 3.38 -0.77 -2.11 115.31 115.04 1x31 h LEU 55 Ca 0.06 -0.23 0.05 0.00 0.09 0.00 0.00 57.88 57.85 1x31 h LEU 55 Cb 0.48 -0.25 -0.01 0.00 0.09 0.00 0.00 40.66 40.97 1x31 h LEU 55 CO 0.02 0.93 0.19 0.00 0.09 0.00 0.00 178.44 179.67 1x31 h ALA 56 N 1.05 2.09 0.00 1.53 0.00 -0.93 -0.62 119.26 122.38 1x31 h ALA 56 Ca 0.20 -0.01 -0.03 0.00 0.00 0.00 0.00 54.91 55.06 1x31 h ALA 56 Cb 0.35 -0.02 -0.01 0.00 0.00 0.00 0.00 17.79 18.12 1x31 h ALA 56 CO 0.00 -0.15 -0.44 0.00 0.00 0.00 0.00 179.25 178.66 1x31 h ALA 57 N 1.86 0.79 0.00 0.00 0.00 -0.88 -2.81 119.26 118.22 1x31 h ALA 57 Ca 0.12 -0.15 0.00 0.00 0.00 0.00 0.00 54.91 54.88 1x31 h ALA 57 Cb 0.32 0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.12 1x31 h ALA 57 CO -0.02 0.19 -1.15 0.00 0.00 0.00 0.00 179.25 178.27 1x31 n ALA 58 N -2.16 2.57 0.22 0.00 0.00 -0.32 -4.04 120.51 116.77 1x31 n ALA 58 Ca 0.02 -0.28 0.10 0.00 0.00 0.00 0.00 53.44 53.28 1x31 n ALA 58 Cb 0.60 -1.05 0.44 0.00 0.00 0.00 0.00 19.45 19.44 1x31 n ALA 58 CO 0.00 0.00 0.00 1.79 0.00 0.00 0.00 177.50 179.29 1x31 h THR 59 N 0.00 0.58 0.00 0.00 1.35 -1.48 -3.45 112.91 109.90 1x31 h THR 59 Ca 0.00 -1.16 0.00 0.00 -0.55 0.00 0.00 66.41 64.70 1x31 h THR 59 Cb 1.00 1.78 0.00 0.00 -1.73 0.00 0.00 68.15 69.20 1x31 h THR 59 CO 0.00 0.23 0.00 0.61 -0.25 0.00 0.00 175.52 176.11 1x31 n GLY 60 N 0.17 1.92 0.00 5.82 0.00 -1.26 -4.78 105.19 107.07 1x31 n GLY 60 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 1x31 n GLY 60 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 1x31 n VAL 61 N -2.00 0.38 -4.25 1.61 0.24 -1.26 -5.06 118.33 107.99 1x31 n VAL 61 Ca 0.00 -0.40 0.00 0.00 -2.04 0.00 0.00 64.34 61.90 1x31 n VAL 61 Cb 0.00 0.86 0.00 0.00 -1.47 0.00 0.00 33.84 33.23 1x31 n VAL 61 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 1x31 n GLY 62 N -0.19 -1.20 3.18 7.63 0.00 -1.06 -4.21 105.19 109.35 1x31 n GLY 62 Ca 0.00 -1.23 -0.18 0.00 0.00 0.00 0.00 46.02 44.61 1x31 n GLY 62 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1x31 s LEU 63 N 0.00 2.32 0.41 0.99 1.43 -1.26 -4.82 118.68 117.74 1x31 s LEU 63 Ca 0.00 -0.68 -0.25 0.00 -1.03 0.00 0.00 54.13 52.17 1x31 s LEU 63 Cb 0.00 -0.49 -0.08 0.00 0.03 0.00 0.00 46.19 45.65 1x31 s LEU 63 CO 0.00 -0.12 1.14 -2.16 0.23 0.00 0.00 176.35 175.44 1x31 s PRO 64 N -2.06 4.03 0.00 1.29 0.04 -1.26 -4.85 135.00 132.19 1x31 s PRO 64 Ca 0.01 1.75 0.13 0.00 0.04 0.00 0.00 61.00 62.93 1x31 s PRO 64 Cb -0.08 -2.60 -0.02 0.00 0.04 0.00 0.00 34.50 31.84 1x31 s PRO 64 CO 0.02 -0.32 0.72 0.00 0.04 0.00 0.00 177.00 177.47 1x31 n ALA 65 N -0.05 3.10 -3.09 8.56 0.00 -1.26 -4.98 120.51 122.79 1x31 n ALA 65 Ca 0.05 -0.47 -0.10 0.00 0.00 0.00 0.00 53.44 52.92 1x31 n ALA 65 Cb 0.47 -0.46 -0.04 0.00 0.00 0.00 0.00 19.45 19.42 1x31 n ALA 65 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1x31 s ALA 66 N -1.72 -0.87 0.18 0.00 0.00 -1.26 -5.08 121.76 113.01 1x31 s ALA 66 Ca 0.10 -0.16 -0.33 0.00 0.00 0.00 0.00 51.96 51.57 1x31 s ALA 66 Cb 0.11 0.77 -0.15 0.00 0.00 0.00 0.00 23.12 23.84 1x31 s ALA 66 CO 0.36 -0.70 1.25 1.55 0.00 0.00 0.00 175.76 178.22 1x31 n VAL 67 N -0.27 0.81 0.00 0.00 3.14 -1.26 -1.74 118.33 119.01 1x31 n VAL 67 Ca -0.13 -0.20 0.00 0.00 -2.96 0.00 0.00 64.34 61.05 1x31 n VAL 67 Cb 0.63 -1.02 0.00 0.00 -1.06 0.00 0.00 33.84 32.39 1x31 n VAL 67 CO 0.00 0.00 0.00 0.61 -6.46 0.00 0.00 176.83 170.98 1x31 n GLY 68 N 2.14 2.97 3.77 7.55 0.00 -1.23 -5.02 105.19 115.37 1x31 n GLY 68 Ca 0.14 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.78 1x31 n GLY 68 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1x31 s GLU 69 N -0.19 4.22 -0.08 1.61 2.12 -0.71 -1.40 118.70 124.27 1x31 s GLU 69 Ca 0.00 1.74 0.03 0.00 0.36 0.00 0.00 54.97 57.10 1x31 s GLU 69 Cb 0.00 -2.76 0.01 0.00 0.26 0.00 0.00 34.13 31.64 1x31 s GLU 69 CO 0.00 -0.15 -0.18 0.08 -0.54 0.00 0.00 175.26 174.47 1x31 s VAL 70 N -1.43 1.63 0.08 3.70 1.01 -1.26 -3.74 120.40 120.40 1x31 s VAL 70 Ca 0.54 -0.77 -0.23 0.00 0.00 0.00 0.00 61.98 61.53 1x31 s VAL 70 Cb -0.29 -1.44 -0.06 0.00 0.00 0.00 0.00 36.38 34.59 1x31 s VAL 70 CO 0.36 0.47 0.69 0.00 0.00 0.00 0.00 175.10 176.62 1x31 s ALA 71 N 0.50 3.47 0.00 5.51 0.00 -0.39 -4.88 121.76 125.97 1x31 s ALA 71 Ca -0.17 0.20 0.00 0.00 0.00 0.00 0.00 51.96 51.99 1x31 s ALA 71 Cb -0.17 -2.85 0.00 0.00 0.00 0.00 0.00 23.12 20.10 1x31 s ALA 71 CO 0.06 0.23 0.00 0.41 0.00 0.00 0.00 175.76 176.46 1x31 n GLY 72 N 2.00 -0.22 3.70 0.00 0.00 -1.26 -0.49 105.19 108.92 1x31 n GLY 72 Ca -0.06 -1.03 -0.09 0.00 0.00 0.00 0.00 46.02 44.84 1x31 n GLY 72 CO 0.00 0.00 0.00 0.51 0.00 0.00 0.00 173.32 173.83 1x31 s ASP 73 N -4.00 -0.11 0.40 1.61 -4.77 -0.76 -4.88 116.67 104.16 1x31 s ASP 73 Ca 0.00 -0.85 0.11 0.00 -3.30 0.00 0.00 52.55 48.52 1x31 s ASP 73 Cb 0.00 0.66 0.93 0.00 -1.09 0.00 0.00 42.92 43.42 1x31 s ASP 73 CO 0.00 -1.26 1.95 1.62 0.70 0.00 0.00 175.17 178.18 1x31 h VAL 74 N 2.14 0.90 -0.87 2.11 3.04 -1.93 -2.66 116.25 118.98 1x31 h VAL 74 Ca -0.24 -0.18 0.11 0.00 -1.01 0.00 0.00 66.70 65.38 1x31 h VAL 74 Cb 1.25 0.32 -0.08 0.00 -2.01 0.00 0.00 31.29 30.77 1x31 h VAL 74 CO 0.31 0.10 0.50 0.28 -1.01 0.00 0.00 177.57 177.75 1x31 h SER 75 N 0.54 0.71 0.00 3.17 0.02 -1.98 -3.45 113.55 112.56 1x31 h SER 75 Ca 0.33 0.06 0.00 0.00 -0.84 0.00 0.00 61.79 61.33 1x31 h SER 75 Cb 0.55 -0.08 0.00 0.00 0.14 0.00 0.00 62.40 63.01 1x31 h SER 75 CO -0.11 0.38 0.00 0.61 -1.14 0.00 0.00 176.83 176.57 1x31 n GLY 76 N -1.33 2.23 3.87 -3.77 0.00 -1.00 -4.92 105.19 100.27 1x31 n GLY 76 Ca 0.15 -0.14 -0.35 0.00 0.00 0.00 0.00 46.02 45.69 1x31 n GLY 76 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1x31 s THR 77 N 2.58 5.14 0.02 2.61 2.01 -1.25 -4.15 115.64 122.61 1x31 s THR 77 Ca 0.00 0.40 -0.08 0.00 0.31 0.00 0.00 61.69 62.31 1x31 s THR 77 Cb 0.00 -3.63 0.00 0.00 0.01 0.00 0.00 72.50 68.88 1x31 s THR 77 CO 0.00 0.32 0.17 0.00 -0.69 0.00 0.00 174.62 174.42 1x31 s ALA 78 N -1.36 -0.34 -0.07 7.40 0.00 -0.08 -1.84 121.76 125.48 1x31 s ALA 78 Ca 0.31 -0.21 0.00 0.00 0.00 0.00 0.00 51.96 52.06 1x31 s ALA 78 Cb -0.14 0.19 0.02 0.00 0.00 0.00 0.00 23.12 23.19 1x31 s ALA 78 CO 0.17 -0.28 -0.05 0.08 0.00 0.00 0.00 175.76 175.68 1x31 s VAL 79 N -1.98 0.71 0.20 0.00 1.01 0.36 0.84 120.40 121.54 1x31 s VAL 79 Ca -0.10 -0.15 -0.04 0.00 0.00 0.00 0.00 61.98 61.69 1x31 s VAL 79 Cb -0.04 -0.76 -0.05 0.00 0.00 0.00 0.00 36.38 35.53 1x31 s VAL 79 CO -0.01 0.29 0.44 -0.76 0.00 0.00 0.00 175.10 175.06 1x31 s LEU 80 N 1.40 4.19 -0.32 3.92 1.43 0.11 -1.27 118.68 128.14 1x31 s LEU 80 Ca -0.03 0.59 -0.14 0.00 -1.03 0.00 0.00 54.13 53.52 1x31 s LEU 80 Cb -0.13 -3.35 -0.02 0.00 0.03 0.00 0.00 46.19 42.71 1x31 s LEU 80 CO -0.03 -0.05 0.30 0.86 0.23 0.00 0.00 176.35 177.65 1x31 s TRP 81 N -1.84 3.22 -0.18 0.29 -0.00 -1.24 -1.30 118.94 117.88 1x31 s TRP 81 Ca 0.41 -0.01 0.10 0.00 -0.00 0.00 0.00 56.10 56.61 1x31 s TRP 81 Cb -0.11 -2.55 -0.18 0.00 -0.00 0.00 0.00 33.47 30.62 1x31 s TRP 81 CO 0.27 -0.34 -0.02 1.28 -0.00 0.00 0.00 176.95 178.14 1x31 n LEU 82 N 5.24 0.99 -3.84 5.86 4.32 -0.62 -4.64 117.00 124.30 1x31 n LEU 82 Ca -0.11 -0.04 -0.07 0.00 -0.02 0.00 0.00 56.01 55.77 1x31 n LEU 82 Cb 0.50 0.03 -0.01 0.00 -1.62 0.00 0.00 43.42 42.32 1x31 n LEU 82 CO 0.38 0.56 0.50 -0.83 -1.22 0.00 0.00 177.39 176.77 1x31 s GLY 83 N -5.38 0.02 0.43 -0.72 0.00 -0.79 -4.94 107.32 95.94 1x31 s GLY 83 Ca -0.15 -0.41 0.18 0.00 0.00 0.00 0.00 44.72 44.35 1x31 s GLY 83 CO 0.62 -0.12 1.87 -0.56 0.00 0.00 0.00 173.10 174.91 1x31 h PRO 84 N 2.00 0.35 0.00 2.90 0.13 -1.97 -2.36 132.00 133.05 1x31 h PRO 84 Ca -0.22 -0.02 -0.02 0.00 -0.87 0.00 0.00 66.00 64.86 1x31 h PRO 84 Cb 1.25 -0.08 -0.05 0.00 0.13 0.00 0.00 31.00 32.25 1x31 h PRO 84 CO 0.28 0.23 -0.41 -0.40 -0.23 0.00 0.00 178.00 177.47 1x31 n ASP 85 N -4.48 1.67 -3.89 1.44 3.85 -1.26 -4.50 116.55 109.37 1x31 n ASP 85 Ca 0.18 -3.23 -0.20 0.00 -0.71 0.00 0.00 54.79 50.83 1x31 n ASP 85 Cb 0.68 -0.44 -0.16 0.00 -1.35 0.00 0.00 41.12 39.85 1x31 n ASP 85 CO 0.00 0.00 0.00 -0.70 -1.01 0.00 0.00 177.20 175.49 1x31 s GLU 86 N -2.41 0.80 0.11 0.11 2.12 -0.89 -2.59 118.70 115.94 1x31 s GLU 86 Ca 0.32 -0.10 0.01 0.00 0.36 0.00 0.00 54.97 55.56 1x31 s GLU 86 Cb 0.31 -0.81 -0.04 0.00 0.26 0.00 0.00 34.13 33.85 1x31 s GLU 86 CO -0.04 -0.08 -0.03 -0.06 -0.54 0.00 0.00 175.26 174.51 1x31 s PHE 87 N 0.89 0.87 -0.17 5.30 0.08 0.09 -1.58 117.98 123.46 1x31 s PHE 87 Ca -0.11 -1.02 -0.02 0.00 0.12 0.00 0.00 56.93 55.90 1x31 s PHE 87 Cb -0.14 -0.52 0.05 0.00 -0.57 0.00 0.00 43.02 41.84 1x31 s PHE 87 CO 0.00 -0.27 0.01 -1.17 -0.10 0.00 0.00 175.22 173.69 1x31 s LEU 88 N -3.04 1.22 0.14 -0.37 2.96 -0.42 -1.42 118.68 117.75 1x31 s LEU 88 Ca 0.15 -0.68 -0.27 0.00 -0.22 0.00 0.00 54.13 53.11 1x31 s LEU 88 Cb 0.06 -0.65 -0.07 0.00 0.50 0.00 0.00 46.19 46.03 1x31 s LEU 88 CO -0.03 -0.26 0.83 -0.22 -1.32 0.00 0.00 176.35 175.34 1x31 s LEU 89 N 1.82 4.55 -0.05 -0.68 0.20 0.62 0.06 118.68 125.20 1x31 s LEU 89 Ca 0.00 1.66 -0.00 0.00 0.69 0.00 0.00 54.13 56.48 1x31 s LEU 89 Cb -0.16 -3.37 0.03 0.00 -0.43 0.00 0.00 46.19 42.26 1x31 s LEU 89 CO -0.07 0.11 -0.01 0.00 -0.29 0.00 0.00 176.35 176.09 1x31 s ALA 90 N -0.70 0.55 0.24 5.97 0.00 0.25 -0.72 121.76 127.35 1x31 s ALA 90 Ca 0.39 -0.00 -0.19 0.00 0.00 0.00 0.00 51.96 52.16 1x31 s ALA 90 Cb -0.23 -0.53 0.02 0.00 0.00 0.00 0.00 23.12 22.39 1x31 s ALA 90 CO 0.27 -0.23 0.61 0.00 0.00 0.00 0.00 175.76 176.42 1x31 s ALA 91 N 1.42 -1.00 0.53 0.00 0.00 -0.23 -0.90 121.76 121.57 1x31 s ALA 91 Ca -0.04 -0.32 -0.21 0.00 0.00 0.00 0.00 51.96 51.39 1x31 s ALA 91 Cb -0.13 0.89 -0.05 0.00 0.00 0.00 0.00 23.12 23.83 1x31 s ALA 91 CO -0.03 -0.92 1.26 -2.00 0.00 0.00 0.00 175.76 174.08 1x31 s GLU 92 N -3.91 3.27 -0.19 0.00 2.12 -1.26 0.53 118.70 119.25 1x31 s GLU 92 Ca 0.12 2.00 -0.20 0.00 0.36 0.00 0.00 54.97 57.24 1x31 s GLU 92 Cb -0.03 -2.21 -0.09 0.00 0.26 0.00 0.00 34.13 32.06 1x31 s GLU 92 CO 0.03 -1.02 0.68 0.39 -0.54 0.00 0.00 175.26 174.80 1x31 n GLU 93 N -1.02 0.00 -2.89 4.30 -0.58 -1.26 -4.46 120.64 114.73 1x31 n GLU 93 Ca 0.10 0.00 -0.02 0.00 -0.42 0.00 0.00 57.16 56.83 1x31 n GLU 93 Cb 0.47 -0.66 0.01 0.00 -0.57 0.00 0.00 31.44 30.68 1x31 n GLU 93 CO 0.00 0.00 0.00 1.21 -0.48 0.00 0.00 177.13 177.86 1x31 s ASN 94 N 1.15 -1.16 0.53 1.62 2.47 -1.26 -4.97 114.94 113.31 1x31 s ASN 94 Ca 0.46 -1.03 0.35 0.00 0.42 0.00 0.00 52.86 53.06 1x31 s ASN 94 Cb -0.65 1.50 1.84 0.00 -1.45 0.00 0.00 41.25 42.49 1x31 s ASN 94 CO 0.35 -0.08 2.08 -0.65 -3.72 0.00 0.00 177.10 175.07 1x31 h PRO 95 N 5.56 0.00 0.00 0.43 0.11 -2.01 -2.51 132.00 133.57 1x31 h PRO 95 Ca 0.04 0.00 -0.10 0.00 0.11 0.00 0.00 66.00 66.04 1x31 h PRO 95 Cb 1.16 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.25 1x31 h PRO 95 CO 0.01 0.00 -0.48 0.00 -0.21 0.00 0.00 178.00 177.32 1x31 h ALA 96 N 2.02 1.08 -0.98 -0.75 0.00 -2.00 -3.24 119.26 115.39 1x31 h ALA 96 Ca 0.00 -0.43 0.02 0.00 0.00 0.00 0.00 54.91 54.49 1x31 h ALA 96 Cb 0.10 -0.08 -0.05 0.00 0.00 0.00 0.00 17.79 17.76 1x31 h ALA 96 CO 0.00 0.60 0.65 1.25 0.00 0.00 0.00 179.25 181.74 1x31 h LEU 97 N 0.00 1.11 0.08 0.00 5.85 -1.88 -2.28 115.31 118.19 1x31 h LEU 97 Ca -0.00 -0.02 0.01 0.00 0.84 0.00 0.00 57.88 58.70 1x31 h LEU 97 Cb 0.91 -0.27 -0.01 0.00 0.37 0.00 0.00 40.66 41.66 1x31 h LEU 97 CO 0.06 0.79 -0.11 0.25 -0.34 0.00 0.00 178.44 179.09 1x31 h LEU 98 N 1.30 -0.31 -1.05 2.25 7.12 -1.75 -0.55 115.31 122.32 1x31 h LEU 98 Ca 0.37 0.04 -0.06 0.00 0.13 0.00 0.00 57.88 58.35 1x31 h LEU 98 Cb -0.11 0.11 -0.02 0.00 -0.53 0.00 0.00 40.66 40.11 1x31 h LEU 98 CO -0.09 -0.17 0.05 -0.78 -0.13 0.00 0.00 178.44 177.32 1x31 h ASP 99 N -0.23 0.68 0.14 1.25 3.58 -1.69 0.54 116.42 120.68 1x31 h ASP 99 Ca 0.01 -0.14 -0.01 0.00 0.42 0.00 0.00 57.03 57.32 1x31 h ASP 99 Cb 0.24 -0.18 0.00 0.00 1.72 0.00 0.00 39.33 41.11 1x31 h ASP 99 CO -0.05 0.72 -0.07 0.74 -2.88 0.00 0.00 179.24 177.70 1x31 h THR 100 N 0.69 0.88 -0.31 2.25 2.02 -1.04 -0.21 112.91 117.19 1x31 h THR 100 Ca 0.14 -0.05 -0.04 0.00 0.77 0.00 0.00 66.41 67.23 1x31 h THR 100 Cb 0.36 0.91 -0.01 0.00 -1.74 0.00 0.00 68.15 67.67 1x31 h THR 100 CO 0.01 0.01 0.04 -0.07 0.37 0.00 0.00 175.52 175.88 1x31 h LEU 101 N -0.21 0.50 -1.14 2.58 3.38 -0.84 0.60 115.31 120.18 1x31 h LEU 101 Ca -0.02 -0.27 -0.01 0.00 0.09 0.00 0.00 57.88 57.67 1x31 h LEU 101 Cb 0.16 -0.13 -0.03 0.00 0.09 0.00 0.00 40.66 40.74 1x31 h LEU 101 CO 0.03 0.64 0.40 1.56 0.09 0.00 0.00 178.44 181.16 1x31 h GLN 102 N 0.33 1.00 -0.32 1.13 4.20 -0.84 -0.83 115.11 119.78 1x31 h GLN 102 Ca 0.09 -0.10 -0.17 0.00 0.06 0.00 0.00 58.65 58.53 1x31 h GLN 102 Cb 0.36 -0.20 -0.00 0.00 0.30 0.00 0.00 27.48 27.94 1x31 h GLN 102 CO 0.01 0.73 -0.46 0.78 -0.67 0.00 0.00 178.83 179.22 1x31 h GLY 103 N 1.05 0.96 1.02 3.46 0.00 -0.81 -2.38 103.07 106.38 1x31 h GLY 103 Ca 0.26 -1.06 -0.01 0.00 0.00 0.00 0.00 47.33 46.52 1x31 h GLY 103 CO -0.04 0.95 0.53 0.00 0.00 0.00 0.00 176.54 177.98 1x31 h ALA 104 N 0.71 1.15 -0.38 3.60 0.00 -0.33 -2.64 119.26 121.36 1x31 h ALA 104 Ca 0.04 -0.11 -0.07 0.00 0.00 0.00 0.00 54.91 54.76 1x31 h ALA 104 Cb 1.06 -0.36 -0.01 0.00 0.00 0.00 0.00 17.79 18.47 1x31 h ALA 104 CO 0.11 0.61 -0.05 1.25 0.00 0.00 0.00 179.25 181.17 1x31 h LEU 105 N 1.24 0.71 0.00 0.00 5.85 -1.12 -3.44 115.31 118.55 1x31 h LEU 105 Ca 0.32 -0.34 0.00 0.00 0.84 0.00 0.00 57.88 58.70 1x31 h LEU 105 Cb -0.04 -0.19 0.00 0.00 0.37 0.00 0.00 40.66 40.80 1x31 h LEU 105 CO -0.06 0.88 0.00 0.61 -0.34 0.00 0.00 178.44 179.53 1x31 n GLY 106 N -0.26 2.76 0.63 3.75 0.00 -0.90 -2.44 105.19 108.73 1x31 n GLY 106 Ca -0.01 -0.30 0.11 0.00 0.00 0.00 0.00 46.02 45.82 1x31 n GLY 106 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 1x31 n GLN 107 N 13.56 1.83 -1.63 1.61 1.13 -1.26 -4.94 117.38 127.68 1x31 n GLN 107 Ca 0.00 -1.25 -0.32 0.00 -1.94 0.00 0.00 57.00 53.49 1x31 n GLN 107 Cb 0.00 -1.42 0.06 0.00 0.11 0.00 0.00 30.24 28.98 1x31 n GLN 107 CO 0.00 0.00 0.00 -1.21 -1.44 0.00 0.00 177.06 174.41 1x31 s GLU 108 N -1.80 2.70 0.81 -1.09 0.41 -1.02 -5.00 118.70 113.71 1x31 s GLU 108 Ca 0.34 1.29 -0.12 0.00 -0.41 0.00 0.00 54.97 56.07 1x31 s GLU 108 Cb 0.19 -1.94 0.09 0.00 -1.78 0.00 0.00 34.13 30.68 1x31 s GLU 108 CO 0.28 -1.32 1.15 -2.14 -0.49 0.00 0.00 175.26 172.75 1x31 s PRO 109 N -4.36 1.73 0.00 0.39 0.02 -1.26 -4.88 135.00 126.64 1x31 s PRO 109 Ca 0.65 1.54 0.00 0.00 0.02 0.00 0.00 61.00 63.20 1x31 s PRO 109 Cb -0.19 -1.81 0.00 0.00 0.02 0.00 0.00 34.50 32.52 1x31 s PRO 109 CO 0.46 -2.10 0.00 0.41 -0.33 0.00 0.00 177.00 175.44 1x31 n GLY 110 N -0.05 0.44 3.39 0.52 0.00 -1.26 -4.81 105.19 103.42 1x31 n GLY 110 Ca 0.12 -2.29 -0.14 0.00 0.00 0.00 0.00 46.02 43.70 1x31 n GLY 110 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1x31 s GLN 111 N -0.01 1.00 -0.22 1.61 -0.21 -0.59 -4.95 119.66 116.29 1x31 s GLN 111 Ca 0.00 -0.16 -0.04 0.00 0.02 0.00 0.00 55.36 55.18 1x31 s GLN 111 Cb 0.00 0.46 0.10 0.00 1.00 0.00 0.00 33.01 34.57 1x31 s GLN 111 CO 0.00 -0.35 0.25 0.08 -2.12 0.00 0.00 175.29 173.16 1x31 s VAL 112 N -2.15 -0.37 0.08 1.09 1.01 -1.25 -0.92 120.40 117.88 1x31 s VAL 112 Ca -0.07 -0.14 0.05 0.00 0.00 0.00 0.00 61.98 61.82 1x31 s VAL 112 Cb -0.01 -0.73 -0.03 0.00 0.00 0.00 0.00 36.38 35.61 1x31 s VAL 112 CO 0.01 -0.22 -0.13 -0.76 0.00 0.00 0.00 175.10 174.00 1x31 s LEU 113 N 2.36 2.32 -0.03 3.92 1.43 -0.45 -4.90 118.68 123.33 1x31 s LEU 113 Ca 0.08 -0.67 -0.29 0.00 -1.03 0.00 0.00 54.13 52.22 1x31 s LEU 113 Cb -0.16 -0.47 -0.03 0.00 0.03 0.00 0.00 46.19 45.56 1x31 s LEU 113 CO -0.14 -0.12 0.94 -0.62 0.23 0.00 0.00 176.35 176.64 1x31 s ASP 114 N -1.95 7.28 -0.07 2.29 -1.08 -1.26 -0.50 116.67 121.39 1x31 s ASP 114 Ca 0.00 1.56 0.22 0.00 -0.52 0.00 0.00 52.55 53.81 1x31 s ASP 114 Cb -0.08 -2.54 0.43 0.00 -1.46 0.00 0.00 42.92 39.27 1x31 s ASP 114 CO 0.02 -0.28 1.18 0.18 0.52 0.00 0.00 175.17 176.79 1x31 n LEU 115 N 4.12 1.48 0.27 -1.34 4.77 0.80 -4.87 117.00 122.25 1x31 n LEU 115 Ca 0.05 -2.53 0.13 0.00 -0.03 0.00 0.00 56.01 53.64 1x31 n LEU 115 Cb 0.51 -0.09 0.79 0.00 -2.33 0.00 0.00 43.42 42.30 1x31 n LEU 115 CO 0.51 0.76 1.03 0.28 -1.33 0.00 0.00 177.39 178.64 1x31 h SER 116 N 1.13 0.00 -0.29 -1.43 0.02 -1.72 -1.97 113.55 109.29 1x31 h SER 116 Ca -0.16 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.79 1x31 h SER 116 Cb 1.66 0.00 0.00 0.00 0.14 0.00 0.00 62.40 64.20 1x31 h SER 116 CO 0.10 0.08 0.00 0.00 -1.14 0.00 0.00 176.83 175.87 1x31 n ALA 117 N -2.29 2.33 0.10 3.77 0.00 -1.26 -4.51 120.51 118.64 1x31 n ALA 117 Ca -0.02 -0.96 -0.05 0.00 0.00 0.00 0.00 53.44 52.40 1x31 n ALA 117 Cb 0.18 -0.55 0.02 0.00 0.00 0.00 0.00 19.45 19.11 1x31 n ALA 117 CO 0.00 0.00 0.00 -0.97 0.00 0.00 0.00 177.50 176.53 1x31 h ASN 118 N 2.79 0.09 -4.81 0.00 -0.73 -1.72 -3.42 115.58 107.77 1x31 h ASN 118 Ca 0.00 -0.07 -0.23 0.00 1.87 0.00 0.00 56.30 57.87 1x31 h ASN 118 Cb 0.73 -0.03 -0.19 0.00 0.27 0.00 0.00 38.32 39.10 1x31 h ASN 118 CO 0.00 0.86 -0.72 -0.13 -0.37 0.00 0.00 177.43 177.08 1x31 s ARG 119 N -3.21 0.56 0.53 6.67 0.52 -1.26 -1.10 118.95 121.67 1x31 s ARG 119 Ca -0.01 -0.89 0.03 0.00 -0.52 0.00 0.00 55.73 54.34 1x31 s ARG 119 Cb 0.11 -0.16 0.04 0.00 0.52 0.00 0.00 34.95 35.46 1x31 s ARG 119 CO 0.80 0.00 0.74 -1.54 0.02 0.00 0.00 175.30 175.33 1x31 s SER 120 N -1.97 5.30 -0.16 0.23 1.04 -0.60 -4.68 113.70 112.85 1x31 s SER 120 Ca -0.05 -0.18 -0.01 0.00 0.48 0.00 0.00 55.95 56.19 1x31 s SER 120 Cb -0.05 -0.70 0.05 0.00 0.10 0.00 0.00 66.02 65.41 1x31 s SER 120 CO -0.02 -1.11 -0.01 -0.69 0.98 0.00 0.00 173.24 172.39 1x31 s VAL 121 N -2.68 0.80 -0.13 5.02 1.01 -1.26 -3.90 120.40 119.25 1x31 s VAL 121 Ca 0.58 -0.50 -0.02 0.00 0.00 0.00 0.00 61.98 62.04 1x31 s VAL 121 Cb -0.10 -1.09 -0.03 0.00 0.00 0.00 0.00 36.38 35.17 1x31 s VAL 121 CO 0.37 0.02 -0.06 -0.76 0.00 0.00 0.00 175.10 174.68 1x31 s LEU 122 N 1.76 3.13 -0.24 3.92 1.43 -0.16 -0.62 118.68 127.90 1x31 s LEU 122 Ca 0.01 -0.14 -0.06 0.00 -1.03 0.00 0.00 54.13 52.91 1x31 s LEU 122 Cb -0.15 -1.73 -0.02 0.00 0.03 0.00 0.00 46.19 44.31 1x31 s LEU 122 CO -0.07 0.21 0.03 -1.58 0.23 0.00 0.00 176.35 175.17 1x31 s GLN 123 N 0.09 3.56 -0.19 1.70 0.74 0.12 -0.51 119.66 125.16 1x31 s GLN 123 Ca -0.02 -0.53 -0.03 0.00 0.05 0.00 0.00 55.36 54.84 1x31 s GLN 123 Cb -0.14 -3.21 -0.01 0.00 1.10 0.00 0.00 33.01 30.75 1x31 s GLN 123 CO 0.03 -0.19 -0.07 -1.17 -0.55 0.00 0.00 175.29 173.35 1x31 s LEU 124 N 1.55 2.88 0.00 3.68 2.96 -0.13 -1.56 118.68 128.06 1x31 s LEU 124 Ca 0.06 -0.35 -0.04 0.00 -0.22 0.00 0.00 54.13 53.57 1x31 s LEU 124 Cb -0.15 -1.71 -0.00 0.00 0.50 0.00 0.00 46.19 44.83 1x31 s LEU 124 CO 0.01 0.04 0.08 -0.70 -1.32 0.00 0.00 176.35 174.46 1x31 s GLU 125 N 1.10 0.37 0.00 1.98 2.12 -0.31 -0.58 118.70 123.39 1x31 s GLU 125 Ca 0.01 -0.38 0.00 0.00 0.36 0.00 0.00 54.97 54.96 1x31 s GLU 125 Cb -0.15 0.15 0.00 0.00 0.26 0.00 0.00 34.13 34.39 1x31 s GLU 125 CO -0.01 -0.08 0.00 0.41 -0.54 0.00 0.00 175.26 175.04 1x31 n GLY 126 N 1.75 3.92 0.39 -1.50 0.00 -0.57 0.69 105.19 109.87 1x31 n GLY 126 Ca -0.21 -1.68 0.21 0.00 0.00 0.00 0.00 46.02 44.33 1x31 n GLY 126 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 1x31 h PRO 127 N 0.00 0.00 -0.60 1.61 0.11 -1.70 -0.61 132.00 130.81 1x31 h PRO 127 Ca 0.00 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.11 1x31 h PRO 127 Cb 0.00 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.11 1x31 h PRO 127 CO 0.00 0.00 0.00 0.00 -0.21 0.00 0.00 178.00 177.79 1x31 n ALA 128 N -2.38 2.39 -0.27 -0.75 0.00 -0.73 -4.57 120.51 114.20 1x31 n ALA 128 Ca 0.08 -1.18 0.02 0.00 0.00 0.00 0.00 53.44 52.35 1x31 n ALA 128 Cb 0.62 -0.91 0.15 0.00 0.00 0.00 0.00 19.45 19.31 1x31 n ALA 128 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1x31 h ALA 129 N 4.41 1.06 -0.15 0.00 0.00 -1.31 -1.38 119.26 121.88 1x31 h ALA 129 Ca 0.00 0.04 -0.13 0.00 0.00 0.00 0.00 54.91 54.82 1x31 h ALA 129 Cb 1.00 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 18.68 1x31 h ALA 129 CO 0.00 0.04 -0.47 0.00 0.00 0.00 0.00 179.25 178.81 1x31 h ALA 130 N 1.43 0.90 0.00 0.00 0.00 -1.81 -2.33 119.26 117.45 1x31 h ALA 130 Ca 0.37 -0.47 -0.02 0.00 0.00 0.00 0.00 54.91 54.79 1x31 h ALA 130 Cb 0.34 -0.09 -0.00 0.00 0.00 0.00 0.00 17.79 18.04 1x31 h ALA 130 CO -0.25 0.65 -0.09 -0.07 0.00 0.00 0.00 179.25 179.50 1x31 h LEU 131 N 0.32 0.00 0.00 0.00 3.38 -1.58 -0.76 115.31 116.67 1x31 h LEU 131 Ca 0.02 0.00 -0.02 0.00 0.09 0.00 0.00 57.88 57.97 1x31 h LEU 131 Cb 0.95 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.70 1x31 h LEU 131 CO 0.08 0.09 -0.08 0.58 0.09 0.00 0.00 178.44 179.20 1x31 h VAL 132 N 0.00 1.69 -0.81 1.22 2.07 -1.04 -3.37 116.25 116.01 1x31 h VAL 132 Ca -0.00 -2.30 -0.00 0.00 0.82 0.00 0.00 66.70 65.21 1x31 h VAL 132 Cb 0.29 3.23 -0.04 0.00 -1.52 0.00 0.00 31.29 33.26 1x31 h VAL 132 CO 0.01 0.57 0.49 -0.07 0.02 0.00 0.00 177.57 178.60 1x31 h LEU 133 N -1.00 0.97 0.00 2.57 3.38 -1.09 -2.38 115.31 117.75 1x31 h LEU 133 Ca -0.02 -0.05 0.00 0.00 0.09 0.00 0.00 57.88 57.89 1x31 h LEU 133 Cb 1.00 -0.24 0.00 0.00 0.09 0.00 0.00 40.66 41.50 1x31 h LEU 133 CO -0.01 0.74 0.00 -2.11 0.09 0.00 0.00 178.44 177.15 1x31 n ARG 134 N -4.38 0.02 0.00 1.13 1.85 -0.32 -1.24 116.66 113.72 1x31 n ARG 134 Ca 0.09 0.37 0.11 0.00 -1.00 0.00 0.00 57.85 57.42 1x31 n ARG 134 Cb 0.06 -1.50 0.60 0.00 -1.05 0.00 0.00 32.46 30.57 1x31 n ARG 134 CO 0.00 0.00 0.00 1.63 -0.01 0.00 0.00 177.63 179.25 1x31 n LYS 135 N -1.46 0.39 0.00 2.89 5.02 -0.90 -4.19 118.16 119.92 1x31 n LYS 135 Ca 0.02 0.06 0.00 0.00 -2.02 0.00 0.00 58.31 56.36 1x31 n LYS 135 Cb 0.06 -1.50 0.00 0.00 -0.02 0.00 0.00 35.03 33.57 1x31 n LYS 135 CO 0.00 0.00 0.00 -1.13 -0.52 0.00 0.00 177.40 175.75 1x31 n SER 136 N -1.24 0.00 -4.67 4.39 3.41 -0.92 -5.00 113.62 109.59 1x31 n SER 136 Ca 0.12 -0.04 -0.40 0.00 -0.26 0.00 0.00 58.87 58.29 1x31 n SER 136 Cb 0.17 0.00 -0.06 0.00 -0.26 0.00 0.00 64.21 64.06 1x31 n SER 136 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1x31 n PRO 138 N 4.73 0.09 -1.66 0.00 -0.04 -1.26 -4.72 135.00 132.14 1x31 n PRO 138 Ca -0.02 0.13 -0.31 0.00 -0.04 0.00 0.00 63.50 63.25 1x31 n PRO 138 Cb 0.50 -1.61 0.04 0.00 -0.04 0.00 0.00 33.50 32.39 1x31 n PRO 138 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1x31 s ALA 139 N -3.05 2.68 -0.51 0.55 0.00 -1.26 -4.98 121.76 115.19 1x31 s ALA 139 Ca 0.11 0.16 -0.24 0.00 0.00 0.00 0.00 51.96 51.98 1x31 s ALA 139 Cb 0.15 -3.19 0.03 0.00 0.00 0.00 0.00 23.12 20.12 1x31 s ALA 139 CO 0.50 -1.15 0.91 0.34 0.00 0.00 0.00 175.76 176.37 1x31 s ASP 140 N -3.57 6.40 0.00 0.00 -1.08 -1.26 -4.89 116.67 112.27 1x31 s ASP 140 Ca 0.59 -0.18 0.23 0.00 -0.52 0.00 0.00 52.55 52.68 1x31 s ASP 140 Cb -0.14 -2.43 0.76 0.00 -1.46 0.00 0.00 42.92 39.64 1x31 s ASP 140 CO 0.51 -1.13 1.56 0.18 0.52 0.00 0.00 175.17 176.82 1x31 n LEU 141 N 7.27 1.89 -4.76 -1.34 4.77 -1.26 -4.04 117.00 119.53 1x31 n LEU 141 Ca 0.03 -0.75 -0.40 0.00 -0.03 0.00 0.00 56.01 54.87 1x31 n LEU 141 Cb 0.48 -0.09 0.02 0.00 -2.33 0.00 0.00 43.42 41.50 1x31 n LEU 141 CO 0.63 0.37 1.06 -2.28 -1.33 0.00 0.00 177.39 175.85 1x31 s HIS 142 N -1.82 2.39 0.46 -1.77 2.46 -1.26 -4.63 115.29 111.12 1x31 s HIS 142 Ca 0.34 1.27 0.20 0.00 0.47 0.00 0.00 55.06 57.34 1x31 s HIS 142 Cb 0.19 -3.92 1.19 0.00 -0.13 0.00 0.00 32.58 29.91 1x31 s HIS 142 CO 0.29 -3.02 1.93 -1.35 -2.47 0.00 0.00 174.74 170.11 1x31 h PRO 143 N 2.13 0.25 0.00 2.88 0.11 -1.93 0.42 132.00 135.85 1x31 h PRO 143 Ca -0.51 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.59 1x31 h PRO 143 Cb 1.27 -0.06 0.00 0.00 0.11 0.00 0.00 31.00 32.33 1x31 h PRO 143 CO 0.60 0.17 0.00 0.00 -0.21 0.00 0.00 178.00 178.56 1x31 h ARG 144 N 0.26 0.00 0.00 1.05 3.08 -1.98 -3.37 114.38 113.43 1x31 h ARG 144 Ca 0.36 0.00 -0.02 0.00 0.07 0.00 0.00 59.98 60.39 1x31 h ARG 144 Cb 1.04 0.00 -0.00 0.00 0.08 0.00 0.00 29.97 31.09 1x31 h ARG 144 CO -0.09 0.00 -1.06 0.39 -1.07 0.00 0.00 179.97 178.14 1x31 n GLU 145 N -2.74 1.46 -3.57 0.04 -0.58 -0.21 -4.92 120.64 110.12 1x31 n GLU 145 Ca 0.01 0.00 -0.41 0.00 -0.42 0.00 0.00 57.16 56.35 1x31 n GLU 145 Cb 0.27 -1.02 -0.08 0.00 -0.57 0.00 0.00 31.44 30.04 1x31 n GLU 145 CO 0.00 0.00 0.00 0.12 -0.48 0.00 0.00 177.13 176.77 1x31 s PHE 146 N -2.02 3.50 0.74 -0.32 5.99 -0.04 -5.01 117.98 120.82 1x31 s PHE 146 Ca -0.01 -2.17 -0.11 0.00 0.00 0.00 0.00 56.93 54.64 1x31 s PHE 146 Cb 0.00 -3.46 0.03 0.00 0.00 0.00 0.00 43.02 39.59 1x31 s PHE 146 CO 0.03 -0.95 1.07 0.20 -0.00 0.00 0.00 175.22 175.58 1x31 s GLY 147 N 1.95 1.66 0.30 13.12 0.00 -1.26 -4.62 107.32 118.47 1x31 s GLY 147 Ca 0.12 0.08 -0.29 0.00 0.00 0.00 0.00 44.72 44.63 1x31 s GLY 147 CO -0.03 0.43 1.43 0.14 0.00 0.00 0.00 173.10 175.06 1x31 s VAL 148 N -3.02 2.49 -0.79 1.40 1.01 -1.26 -3.11 120.40 117.12 1x31 s VAL 148 Ca 0.59 0.45 -0.00 0.00 0.00 0.00 0.00 61.98 63.02 1x31 s VAL 148 Cb -0.15 -3.29 0.00 0.00 0.00 0.00 0.00 36.38 32.94 1x31 s VAL 148 CO 0.55 0.09 0.66 -3.20 0.00 0.00 0.00 175.10 173.20 1x31 n ASN 149 N 1.47 -2.15 -4.14 3.32 5.15 0.36 -5.01 115.26 114.27 1x31 n ASN 149 Ca 0.04 -0.40 -0.18 0.00 -0.60 0.00 0.00 54.58 53.44 1x31 n ASN 149 Cb 0.40 -3.52 -0.12 0.00 -0.53 0.00 0.00 39.78 36.01 1x31 n ASN 149 CO 0.00 0.00 0.00 -0.13 1.40 0.00 0.00 177.26 178.53 1x31 s ARG 150 N -4.93 0.77 -0.09 1.20 1.81 -1.17 -4.19 118.95 112.36 1x31 s ARG 150 Ca 0.02 -0.85 -0.08 0.00 -1.72 0.00 0.00 55.73 53.09 1x31 s ARG 150 Cb -0.01 -0.74 0.02 0.00 -0.45 0.00 0.00 34.95 33.78 1x31 s ARG 150 CO 0.48 0.17 0.24 0.00 -0.68 0.00 0.00 175.30 175.51 1x31 s ALA 151 N -1.17 -0.60 0.14 2.13 0.00 -0.49 -1.04 121.76 120.73 1x31 s ALA 151 Ca -0.03 0.70 -0.01 0.00 0.00 0.00 0.00 51.96 52.63 1x31 s ALA 151 Cb -0.09 -0.41 -0.04 0.00 0.00 0.00 0.00 23.12 22.57 1x31 s ALA 151 CO 0.02 -0.12 0.07 0.96 0.00 0.00 0.00 175.76 176.68 1x31 s ILE 152 N 0.19 0.11 0.17 0.00 -4.36 -0.38 -3.50 121.20 113.43 1x31 s ILE 152 Ca -0.00 -1.93 -0.22 0.00 -0.26 0.00 0.00 60.65 58.23 1x31 s ILE 152 Cb -0.02 -2.13 -0.08 0.00 1.25 0.00 0.00 42.46 41.48 1x31 s ILE 152 CO -0.00 -0.38 0.73 0.42 0.24 0.00 0.00 174.94 175.94 1x31 s THR 153 N -4.05 4.50 0.00 8.37 -4.23 -1.26 -1.42 115.64 117.54 1x31 s THR 153 Ca 0.27 1.47 0.00 0.00 -1.18 0.00 0.00 61.69 62.25 1x31 s THR 153 Cb 0.07 -4.00 0.00 0.00 1.34 0.00 0.00 72.50 69.92 1x31 s THR 153 CO 0.04 0.41 0.00 1.07 -0.54 0.00 0.00 174.62 175.59 1x31 n THR 154 N 1.28 0.00 -4.18 3.99 5.66 -0.56 -4.93 114.28 115.55 1x31 n THR 154 Ca -0.05 0.00 -0.16 0.00 -3.05 0.00 0.00 64.05 60.78 1x31 n THR 154 Cb 0.50 0.00 -0.11 0.00 -1.55 0.00 0.00 70.33 69.17 1x31 n THR 154 CO 0.00 0.00 0.00 -0.55 -3.05 0.00 0.00 175.07 171.47 1x31 s SER 155 N 2.00 1.59 -0.28 1.09 0.15 -1.26 -1.68 113.70 115.31 1x31 s SER 155 Ca 0.00 -0.71 -0.19 0.00 0.70 0.00 0.00 55.95 55.75 1x31 s SER 155 Cb 0.00 -0.03 0.08 0.00 -1.71 0.00 0.00 66.02 64.36 1x31 s SER 155 CO 0.00 -0.16 0.70 -0.22 1.20 0.00 0.00 173.24 174.75 1x31 s LEU 156 N -2.10 -0.88 -1.57 3.45 1.98 0.13 -4.17 118.68 115.52 1x31 s LEU 156 Ca 0.02 1.49 -0.04 0.00 -2.89 0.00 0.00 54.13 52.71 1x31 s LEU 156 Cb -0.07 2.40 0.01 0.00 0.66 0.00 0.00 46.19 49.20 1x31 s LEU 156 CO 0.01 -0.24 0.50 0.00 -1.89 0.00 0.00 176.35 174.73 1x31 n ALA 157 N 3.83 -0.92 -1.19 5.97 0.00 -1.26 -1.41 120.51 125.53 1x31 n ALA 157 Ca -0.18 0.25 -0.06 0.00 0.00 0.00 0.00 53.44 53.45 1x31 n ALA 157 Cb 0.58 -3.52 -0.03 0.00 0.00 0.00 0.00 19.45 16.48 1x31 n ALA 157 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 1x31 n ASN 158 N -2.42 -4.72 -4.29 0.00 3.02 -1.26 -4.99 115.26 100.60 1x31 n ASN 158 Ca -0.13 0.16 -0.16 0.00 -0.03 0.00 0.00 54.58 54.42 1x31 n ASN 158 Cb 0.63 -2.78 -0.10 0.00 -0.61 0.00 0.00 39.78 36.91 1x31 n ASN 158 CO 0.00 0.00 0.00 0.27 -2.62 0.00 0.00 177.26 174.91 1x31 s ILE 159 N -1.92 1.30 0.21 2.41 -4.36 -0.50 -5.12 121.20 113.22 1x31 s ILE 159 Ca 0.00 -2.09 -0.30 0.00 -0.26 0.00 0.00 60.65 58.00 1x31 s ILE 159 Cb 0.00 -2.00 -0.09 0.00 1.25 0.00 0.00 42.46 41.62 1x31 s ILE 159 CO 0.00 -0.62 1.25 -2.84 0.24 0.00 0.00 174.94 172.96 1x31 s PRO 160 N -3.74 4.45 0.21 0.37 0.02 -1.26 -0.69 135.00 134.35 1x31 s PRO 160 Ca 0.21 1.97 -0.13 0.00 0.02 0.00 0.00 61.00 63.06 1x31 s PRO 160 Cb 0.02 -3.20 0.00 0.00 0.02 0.00 0.00 34.50 31.34 1x31 s PRO 160 CO 0.04 -0.14 0.44 0.14 -0.33 0.00 0.00 177.00 177.15 1x31 s VAL 161 N -0.15 0.02 -0.17 3.83 -7.23 -0.68 -4.56 120.40 111.47 1x31 s VAL 161 Ca 0.53 -1.22 -0.06 0.00 -1.81 0.00 0.00 61.98 59.42 1x31 s VAL 161 Cb -0.35 -1.93 -0.04 0.00 0.56 0.00 0.00 36.38 34.63 1x31 s VAL 161 CO 0.39 -0.11 0.04 -0.76 -0.31 0.00 0.00 175.10 174.35 1x31 s LEU 162 N -2.96 3.73 -0.13 1.32 1.43 -1.04 -1.49 118.68 119.53 1x31 s LEU 162 Ca 0.17 0.07 0.01 0.00 -1.03 0.00 0.00 54.13 53.36 1x31 s LEU 162 Cb 0.00 -1.93 -0.00 0.00 0.03 0.00 0.00 46.19 44.29 1x31 s LEU 162 CO 0.03 0.21 -0.18 -0.22 0.23 0.00 0.00 176.35 176.42 1x31 s LEU 163 N 0.17 2.39 -0.12 1.79 2.96 -0.51 -1.11 118.68 124.26 1x31 s LEU 163 Ca 0.03 -0.47 -0.01 0.00 -0.22 0.00 0.00 54.13 53.46 1x31 s LEU 163 Cb -0.12 -1.52 0.03 0.00 0.50 0.00 0.00 46.19 45.07 1x31 s LEU 163 CO 0.01 0.12 -0.05 0.86 -1.32 0.00 0.00 176.35 175.97 1x31 s TRP 164 N 0.57 1.34 -0.42 5.38 -0.00 -0.29 -1.25 118.94 124.26 1x31 s TRP 164 Ca -0.11 -0.69 -0.24 0.00 -0.00 0.00 0.00 56.10 55.07 1x31 s TRP 164 Cb -0.16 -1.15 0.02 0.00 -0.00 0.00 0.00 33.47 32.17 1x31 s TRP 164 CO 0.04 -0.50 0.82 0.50 -0.00 0.00 0.00 176.95 177.81 1x31 s ARG 165 N 1.75 3.55 -0.05 5.86 3.52 -0.20 -0.53 118.95 132.86 1x31 s ARG 165 Ca 0.04 0.11 0.17 0.00 -0.13 0.00 0.00 55.73 55.92 1x31 s ARG 165 Cb -0.13 -3.89 -0.21 0.00 -1.56 0.00 0.00 34.95 29.15 1x31 s ARG 165 CO -0.08 -1.06 0.52 0.25 -0.81 0.00 0.00 175.30 174.13 1x31 n THR 166 N 6.10 1.16 -4.16 4.11 -2.24 -0.00 0.14 114.28 119.39 1x31 n THR 166 Ca 0.04 -0.73 -0.16 0.00 -2.27 0.00 0.00 64.05 60.92 1x31 n THR 166 Cb 0.48 -0.61 -0.06 0.00 -2.10 0.00 0.00 70.33 68.05 1x31 n THR 166 CO 0.00 0.00 0.00 -0.83 -0.57 0.00 0.00 175.07 173.67 1x31 s GLY 167 N -5.02 1.73 0.33 3.38 0.00 -0.96 -4.47 107.32 102.32 1x31 s GLY 167 Ca -0.06 -1.70 0.11 0.00 0.00 0.00 0.00 44.72 43.07 1x31 s GLY 167 CO 0.83 -1.17 1.60 -2.09 0.00 0.00 0.00 173.10 172.27 1x31 h GLU 168 N 2.16 0.07 -0.55 2.90 4.81 -2.00 -2.75 114.58 119.23 1x31 h GLU 168 Ca -0.28 -0.00 -0.29 0.00 -0.13 0.00 0.00 59.36 58.66 1x31 h GLU 168 Cb 1.24 -0.02 -0.31 0.00 0.63 0.00 0.00 28.75 30.29 1x31 h GLU 168 CO 0.39 0.05 -0.87 1.04 -0.73 0.00 0.00 179.01 178.89 1x31 n GLN 169 N -5.31 1.26 -4.66 1.92 1.13 -1.26 -5.06 117.38 105.41 1x31 n GLN 169 Ca 0.30 -2.71 -0.27 0.00 -1.94 0.00 0.00 57.00 52.38 1x31 n GLN 169 Cb 0.98 -0.82 -0.17 0.00 0.11 0.00 0.00 30.24 30.35 1x31 n GLN 169 CO 0.00 0.00 0.00 -1.12 -1.44 0.00 0.00 177.06 174.50 1x31 s SER 170 N -2.51 2.14 0.06 1.08 0.01 -1.04 -1.51 113.70 111.92 1x31 s SER 170 Ca 0.24 -0.37 0.03 0.00 1.31 0.00 0.00 55.95 57.16 1x31 s SER 170 Cb 0.42 -0.98 -0.03 0.00 0.21 0.00 0.00 66.02 65.65 1x31 s SER 170 CO -0.02 0.05 -0.10 0.26 0.41 0.00 0.00 173.24 173.84 1x31 s TRP 171 N 0.69 0.86 -0.09 2.43 0.52 0.25 -0.82 118.94 122.78 1x31 s TRP 171 Ca -0.14 -0.52 0.05 0.00 0.02 0.00 0.00 56.10 55.51 1x31 s TRP 171 Cb -0.16 -0.50 -0.00 0.00 -1.15 0.00 0.00 33.47 31.66 1x31 s TRP 171 CO 0.04 -0.04 -0.24 1.03 0.02 0.00 0.00 176.95 177.75 1x31 s ARG 172 N -1.80 2.90 -0.14 4.98 0.52 0.31 -0.96 118.95 124.76 1x31 s ARG 172 Ca -0.06 -0.89 0.01 0.00 -0.52 0.00 0.00 55.73 54.27 1x31 s ARG 172 Cb -0.09 -2.26 -0.00 0.00 0.52 0.00 0.00 34.95 33.12 1x31 s ARG 172 CO 0.01 0.24 -0.16 0.42 0.02 0.00 0.00 175.30 175.83 1x31 s ILE 173 N 0.18 2.67 -0.53 1.52 1.01 0.33 -1.14 121.20 125.24 1x31 s ILE 173 Ca -0.14 -0.78 0.04 0.00 0.00 0.00 0.00 60.65 59.77 1x31 s ILE 173 Cb -0.17 -2.11 0.14 0.00 0.01 0.00 0.00 42.46 40.33 1x31 s ILE 173 CO 0.07 0.52 0.29 -0.76 0.00 0.00 0.00 174.94 175.07 1x31 s LEU 174 N 0.65 4.02 0.43 2.97 1.02 -0.27 -0.99 118.68 126.52 1x31 s LEU 174 Ca -0.08 -3.07 -0.01 0.00 0.02 0.00 0.00 54.13 50.99 1x31 s LEU 174 Cb -0.16 -1.50 -0.02 0.00 0.02 0.00 0.00 46.19 44.54 1x31 s LEU 174 CO 0.02 -0.21 0.67 -2.16 0.02 0.00 0.00 176.35 174.68 1x31 s PRO 175 N -0.34 3.25 0.36 1.29 0.04 -1.25 -2.51 135.00 135.84 1x31 s PRO 175 Ca 0.19 -0.31 -0.28 0.00 0.04 0.00 0.00 61.00 60.63 1x31 s PRO 175 Cb -0.22 -2.54 -0.10 0.00 0.04 0.00 0.00 34.50 31.67 1x31 s PRO 175 CO -0.03 -0.16 1.40 1.03 0.04 0.00 0.00 177.00 179.28 1x31 s ARG 176 N -4.54 4.18 0.18 4.56 0.52 -1.26 -1.56 118.95 121.03 1x31 s ARG 176 Ca 0.46 2.39 -0.17 0.00 -0.52 0.00 0.00 55.73 57.89 1x31 s ARG 176 Cb -0.10 -2.98 0.13 0.00 0.52 0.00 0.00 34.95 32.52 1x31 s ARG 176 CO 0.39 -0.40 1.27 0.00 0.02 0.00 0.00 175.30 176.58 1x31 n ALA 177 N 0.55 -0.21 0.14 2.13 0.00 -0.26 -0.79 120.51 122.08 1x31 n ALA 177 Ca 0.01 0.79 0.05 0.00 0.00 0.00 0.00 53.44 54.29 1x31 n ALA 177 Cb 0.41 -0.30 0.27 0.00 0.00 0.00 0.00 19.45 19.82 1x31 n ALA 177 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.50 176.37 1x31 n SER 178 N -5.17 0.24 -1.22 0.00 3.41 -1.26 -1.06 113.62 108.56 1x31 n SER 178 Ca 0.07 0.60 0.12 0.00 -0.26 0.00 0.00 58.87 59.40 1x31 n SER 178 Cb 0.30 -0.64 0.26 0.00 -0.26 0.00 0.00 64.21 63.88 1x31 n SER 178 CO 0.00 0.00 0.00 0.49 -0.16 0.00 0.00 175.04 175.37 1x31 n PHE 179 N -1.81 0.69 0.07 7.33 3.72 0.03 -4.61 117.46 122.88 1x31 n PHE 179 Ca 0.00 -0.34 -0.12 0.00 -0.05 0.00 0.00 57.45 56.94 1x31 n PHE 179 Cb 0.05 0.00 -0.06 0.00 -0.94 0.00 0.00 39.48 38.53 1x31 n PHE 179 CO 0.00 0.00 0.00 1.15 -0.05 0.00 0.00 176.76 177.86 1x31 h THR 180 N 4.33 0.80 -0.67 4.37 2.02 -1.16 -1.89 112.91 120.70 1x31 h THR 180 Ca 0.00 0.00 -0.01 0.00 0.77 0.00 0.00 66.41 67.17 1x31 h THR 180 Cb 0.97 0.80 -0.03 0.00 -1.74 0.00 0.00 68.15 68.15 1x31 h THR 180 CO 0.00 0.00 0.38 -0.08 0.37 0.00 0.00 175.52 176.19 1x31 h GLU 181 N -0.17 0.93 -0.47 6.66 4.81 -1.82 -0.24 114.58 124.28 1x31 h GLU 181 Ca 0.02 -0.10 0.00 0.00 -0.13 0.00 0.00 59.36 59.14 1x31 h GLU 181 Cb 0.18 -0.19 -0.02 0.00 0.63 0.00 0.00 28.75 29.35 1x31 h GLU 181 CO -0.05 0.70 0.30 1.25 -0.73 0.00 0.00 179.01 180.47 1x31 h HIS 182 N 0.92 0.61 -0.57 0.92 2.76 -1.85 -1.30 115.15 116.64 1x31 h HIS 182 Ca 0.24 0.01 -0.07 0.00 -2.20 0.00 0.00 60.37 58.34 1x31 h HIS 182 Cb 0.03 -0.20 -0.02 0.00 1.55 0.00 0.00 27.41 28.76 1x31 h HIS 182 CO -0.01 0.41 0.07 1.15 -1.30 0.00 0.00 177.93 178.26 1x31 h THR 183 N 0.63 1.26 -0.49 6.26 2.02 -1.00 -2.19 112.91 119.41 1x31 h THR 183 Ca 0.17 -1.01 -0.06 0.00 0.77 0.00 0.00 66.41 66.29 1x31 h THR 183 Cb -0.04 0.80 -0.02 0.00 -1.74 0.00 0.00 68.15 67.16 1x31 h THR 183 CO -0.03 0.37 0.07 0.58 0.37 0.00 0.00 175.52 176.88 1x31 h VAL 184 N 0.85 1.25 -0.13 3.16 2.07 -0.87 -1.51 116.25 121.07 1x31 h VAL 184 Ca 0.17 -0.93 0.00 0.00 0.82 0.00 0.00 66.70 66.76 1x31 h VAL 184 Cb 0.44 0.91 -0.01 0.00 -1.52 0.00 0.00 31.29 31.11 1x31 h VAL 184 CO 0.01 0.33 0.08 0.45 0.02 0.00 0.00 177.57 178.47 1x31 h HIS 185 N 0.68 0.17 -0.24 1.57 3.86 -1.15 0.12 115.15 120.16 1x31 h HIS 185 Ca 0.15 0.00 0.05 0.00 -1.16 0.00 0.00 60.37 59.41 1x31 h HIS 185 Cb 0.40 -0.06 -0.04 0.00 1.06 0.00 0.00 27.41 28.77 1x31 h HIS 185 CO 0.03 0.12 -0.04 2.35 0.86 0.00 0.00 177.93 181.24 1x31 h TRP 186 N 0.17 -0.09 -0.39 2.45 7.01 -1.29 0.35 115.95 124.15 1x31 h TRP 186 Ca 0.05 0.02 0.03 0.00 2.11 0.00 0.00 58.89 61.09 1x31 h TRP 186 Cb -0.01 0.08 -0.03 0.00 -2.10 0.00 0.00 29.16 27.10 1x31 h TRP 186 CO -0.07 -0.08 0.20 -0.07 -2.79 0.00 0.00 178.44 175.63 1x31 h LEU 187 N 0.02 0.31 -0.66 0.65 3.38 -0.94 0.14 115.31 118.22 1x31 h LEU 187 Ca 0.12 0.02 0.02 0.00 0.09 0.00 0.00 57.88 58.12 1x31 h LEU 187 Cb 0.17 -0.05 -0.04 0.00 0.09 0.00 0.00 40.66 40.84 1x31 h LEU 187 CO -0.23 0.22 0.42 0.40 0.09 0.00 0.00 178.44 179.34 1x31 h ILE 188 N 0.42 1.13 -0.60 1.22 1.08 -0.23 -0.80 117.51 119.72 1x31 h ILE 188 Ca 0.16 -0.29 -0.03 0.00 -0.39 0.00 0.00 64.86 64.31 1x31 h ILE 188 Cb 0.06 0.21 -0.03 0.00 -3.07 0.00 0.00 36.82 33.99 1x31 h ILE 188 CO -0.10 0.15 0.26 -0.78 -0.69 0.00 0.00 178.15 176.99 1x31 h ASP 189 N 0.84 0.81 0.12 1.72 3.58 -0.36 -2.97 116.42 120.16 1x31 h ASP 189 Ca 0.25 -0.16 -0.05 0.00 0.42 0.00 0.00 57.03 57.50 1x31 h ASP 189 Cb -0.04 -0.21 -0.01 0.00 1.72 0.00 0.00 39.33 40.79 1x31 h ASP 189 CO -0.08 0.75 -0.18 0.00 -2.88 0.00 0.00 179.24 176.85 1x31 h ALA 190 N 1.10 1.55 0.00 -0.78 0.00 0.05 -3.01 119.26 118.17 1x31 h ALA 190 Ca 0.20 -0.21 0.00 0.00 0.00 0.00 0.00 54.91 54.90 1x31 h ALA 190 Cb 0.17 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 17.90 1x31 h ALA 190 CO -0.02 0.33 -0.38 0.00 0.00 0.00 0.00 179.25 179.18 1x31 h MET 191 N 0.13 0.00 -0.96 0.00 -0.00 -1.02 -3.37 114.93 109.71 1x31 h MET 191 Ca 0.02 0.00 0.13 0.00 -0.00 0.00 0.00 59.70 59.86 1x31 h MET 191 Cb 0.40 0.00 -0.08 0.00 -0.00 0.00 0.00 31.60 31.92 1x31 h MET 191 CO 0.03 0.00 0.61 0.66 -0.00 0.00 0.00 176.91 178.20 1x31 h SER 192 N 0.00 0.80 -0.94 -0.10 4.64 -1.42 -2.11 113.55 114.43 1x31 h SER 192 Ca 0.00 0.05 0.19 0.00 -0.47 0.00 0.00 61.79 61.56 1x31 h SER 192 Cb 0.76 -0.11 -0.11 0.00 -0.31 0.00 0.00 62.40 62.63 1x31 h SER 192 CO 0.00 0.41 0.52 -0.08 -0.87 0.00 0.00 176.83 176.81 1x31 h GLU 193 N 0.85 0.61 0.00 4.77 4.81 -1.78 -2.22 114.58 121.62 1x31 h GLU 193 Ca 0.48 -0.04 0.00 0.00 -0.13 0.00 0.00 59.36 59.68 1x31 h GLU 193 Cb 0.61 -0.14 0.00 0.00 0.63 0.00 0.00 28.75 29.86 1x31 h GLU 193 CO -0.25 0.40 0.00 1.19 -0.73 0.00 0.00 179.01 179.62 1x31 n PHE 194 N -4.87 0.04 0.05 0.92 3.01 -0.79 -2.17 117.46 113.65 1x31 n PHE 194 Ca 0.22 0.02 0.01 0.00 1.01 0.00 0.00 57.45 58.71 1x31 n PHE 194 Cb 0.58 -0.53 -0.06 0.00 -0.01 0.00 0.00 39.48 39.46 1x31 n PHE 194 CO 0.00 0.00 0.00 0.66 1.01 0.00 0.00 176.76 178.43 1x31 h SER 195 N 0.00 0.00 -4.26 4.37 4.64 -1.54 -3.46 113.55 113.31 1x31 h SER 195 Ca 0.00 0.00 -0.48 0.00 -0.47 0.00 0.00 61.79 60.84 1x31 h SER 195 Cb 0.29 0.00 0.12 0.00 -0.31 0.00 0.00 62.40 62.50 1x31 h SER 195 CO 0.00 0.53 0.32 0.00 -0.87 0.00 0.00 176.83 176.81 1x31 s ALA 196 N -2.96 2.11 0.55 5.18 0.00 -0.92 -5.02 121.76 120.70 1x31 s ALA 196 Ca -0.02 -0.22 -0.17 0.00 0.00 0.00 0.00 51.96 51.55 1x31 s ALA 196 Cb 0.09 -3.11 -0.06 0.00 0.00 0.00 0.00 23.12 20.04 1x31 s ALA 196 CO 0.80 -1.87 1.04 0.00 0.00 0.00 0.00 175.76 175.73 1x31 s ALA 197 N -3.14 2.85 0.60 0.00 0.00 -1.26 -5.01 121.76 115.79 1x31 s ALA 197 Ca 0.61 0.38 -0.17 0.00 0.00 0.00 0.00 51.96 52.79 1x31 s ALA 197 Cb -0.15 -3.21 -0.03 0.00 0.00 0.00 0.00 23.12 19.73 1x31 s ALA 197 CO 0.54 -0.57 1.08 -1.21 0.00 0.00 0.00 175.76 175.61 1x31 s GLU 198 N -3.90 3.20 1.32 0.00 2.02 -1.26 -5.03 118.70 115.05 1x31 s GLU 198 Ca 0.63 1.35 -0.21 0.00 0.02 0.00 0.00 54.97 56.76 1x31 s GLU 198 Cb -0.15 -2.01 0.33 0.00 0.10 0.00 0.00 34.13 32.41 1x31 s GLU 198 CO 0.32 -0.92 1.02 0.14 0.02 0.00 0.00 175.26 175.83 1x31 s VAL 199 N -2.25 1.39 0.00 2.63 -7.23 -1.26 -5.28 120.40 108.39 1x31 s VAL 199 Ca 0.67 0.00 0.00 0.00 -1.81 0.00 0.00 61.98 60.84 1x31 s VAL 199 Cb -0.19 -2.27 0.00 0.00 0.56 0.00 0.00 36.38 34.48 1x31 s VAL 199 CO 0.35 0.00 0.00 0.00 -0.31 0.00 0.00 175.10 175.14