#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1s78 s VAL 2 N 0.00 3.44 -0.03 6.31 1.01 -1.26 -3.94 120.40 125.92 1s78 s VAL 2 Ca 0.00 1.27 -0.09 0.00 0.00 0.00 0.00 61.98 63.15 1s78 s VAL 2 Cb 0.00 -3.81 0.01 0.00 0.00 0.00 0.00 36.38 32.59 1s78 s VAL 2 CO 0.00 0.23 0.21 0.00 0.00 0.00 0.00 175.10 175.54 1s78 s GLN 3 N -0.60 0.47 -0.03 2.72 -2.07 0.06 -4.96 119.66 115.24 1s78 s GLN 3 Ca 0.51 -0.13 0.03 0.00 -1.82 0.00 0.00 55.36 53.95 1s78 s GLN 3 Cb -0.34 0.20 0.00 0.00 -1.09 0.00 0.00 33.01 31.79 1s78 s GLN 3 CO 0.39 -0.11 -0.11 -0.51 -1.32 0.00 0.00 175.29 173.63 1s78 s LEU 4 N -0.91 1.83 -0.19 2.60 1.43 -1.26 -0.99 118.68 121.18 1s78 s LEU 4 Ca -0.10 -0.23 -0.02 0.00 -1.03 0.00 0.00 54.13 52.75 1s78 s LEU 4 Cb -0.05 -0.66 0.06 0.00 0.03 0.00 0.00 46.19 45.57 1s78 s LEU 4 CO 0.02 0.09 0.01 -0.69 0.23 0.00 0.00 176.35 176.01 1s78 s VAL 5 N 0.13 0.79 0.33 -1.59 1.01 -0.40 -4.22 120.40 116.46 1s78 s VAL 5 Ca -0.03 -0.68 -0.27 0.00 0.00 0.00 0.00 61.98 61.01 1s78 s VAL 5 Cb -0.09 -1.20 -0.09 0.00 0.00 0.00 0.00 36.38 35.00 1s78 s VAL 5 CO 0.01 -0.14 1.03 -1.61 0.00 0.00 0.00 175.10 174.39 1s78 s GLU 6 N 1.74 4.47 0.14 2.72 8.01 -1.26 -2.03 118.70 132.49 1s78 s GLU 6 Ca -0.02 1.56 -0.12 0.00 0.01 0.00 0.00 54.97 56.41 1s78 s GLU 6 Cb -0.17 -2.87 0.01 0.00 -4.31 0.00 0.00 34.13 26.79 1s78 s GLU 6 CO -0.07 0.13 0.32 -1.54 0.01 0.00 0.00 175.26 174.10 1s78 s SER 7 N -1.33 -0.04 0.00 -0.19 1.04 -0.49 -4.69 113.70 108.00 1s78 s SER 7 Ca 0.50 -0.64 0.00 0.00 0.48 0.00 0.00 55.95 56.30 1s78 s SER 7 Cb -0.25 0.44 0.00 0.00 0.10 0.00 0.00 66.02 66.31 1s78 s SER 7 CO 0.31 -0.87 0.00 0.61 0.98 0.00 0.00 173.24 174.27 1s78 n GLY 8 N -0.20 1.00 3.77 7.32 0.00 -1.26 -0.68 105.19 115.14 1s78 n GLY 8 Ca -0.12 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.60 1s78 n GLY 8 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1s78 s GLY 9 N -1.32 1.63 0.00 -0.02 0.00 -1.26 -4.66 107.32 101.69 1s78 s GLY 9 Ca 0.00 -0.07 0.00 0.00 0.00 0.00 0.00 44.72 44.65 1s78 s GLY 9 CO 0.00 0.36 0.00 0.61 0.00 0.00 0.00 173.10 174.07 1s78 n GLY 10 N -1.61 -0.60 3.33 0.20 0.00 -0.95 -4.95 105.19 100.61 1s78 n GLY 10 Ca 0.07 -0.66 -0.35 0.00 0.00 0.00 0.00 46.02 45.09 1s78 n GLY 10 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 1s78 s LEU 11 N 0.00 2.89 0.10 0.99 2.96 -1.26 -0.40 118.68 123.96 1s78 s LEU 11 Ca 0.00 -0.37 0.09 0.00 -0.22 0.00 0.00 54.13 53.63 1s78 s LEU 11 Cb 0.00 -1.72 -0.03 0.00 0.50 0.00 0.00 46.19 44.93 1s78 s LEU 11 CO 0.00 0.02 -0.22 0.68 -1.32 0.00 0.00 176.35 175.51 1s78 s VAL 12 N 1.25 1.80 0.27 1.68 -7.23 -0.56 -5.01 120.40 112.60 1s78 s VAL 12 Ca 0.03 -1.52 -0.30 0.00 -1.81 0.00 0.00 61.98 58.38 1s78 s VAL 12 Cb -0.14 -1.62 -0.09 0.00 0.56 0.00 0.00 36.38 35.08 1s78 s VAL 12 CO -0.02 0.02 1.09 -1.10 -0.31 0.00 0.00 175.10 174.78 1s78 s GLN 13 N -1.80 4.65 0.02 4.82 -0.21 -1.26 -2.20 119.66 123.68 1s78 s GLN 13 Ca 0.08 1.78 -0.38 0.00 0.02 0.00 0.00 55.36 56.86 1s78 s GLN 13 Cb -0.10 -3.20 -0.18 0.00 1.00 0.00 0.00 33.01 30.53 1s78 s GLN 13 CO 0.04 0.22 1.28 -2.30 -2.12 0.00 0.00 175.29 172.41 1s78 n PRO 14 N 1.32 0.75 0.00 2.91 -0.02 -1.26 -0.90 135.00 137.80 1s78 n PRO 14 Ca -0.01 0.27 0.00 0.00 -2.02 0.00 0.00 63.50 61.74 1s78 n PRO 14 Cb 0.45 -1.87 0.00 0.00 -0.02 0.00 0.00 33.50 32.06 1s78 n PRO 14 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1s78 n GLY 15 N 2.32 2.98 3.41 -1.23 0.00 0.22 -4.91 105.19 107.98 1s78 n GLY 15 Ca 0.20 -0.67 -0.30 0.00 0.00 0.00 0.00 46.02 45.25 1s78 n GLY 15 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1s78 n GLY 16 N 0.00 -2.18 3.87 -0.02 0.00 -0.07 -2.73 105.19 104.06 1s78 n GLY 16 Ca 0.00 -1.07 -0.21 0.00 0.00 0.00 0.00 46.02 44.74 1s78 n GLY 16 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1s78 s SER 17 N -2.23 5.54 -0.07 1.61 0.15 -1.26 -2.79 113.70 114.65 1s78 s SER 17 Ca 0.65 -0.32 -0.30 0.00 0.70 0.00 0.00 55.95 56.68 1s78 s SER 17 Cb -0.22 -1.24 0.09 0.00 -1.71 0.00 0.00 66.02 62.95 1s78 s SER 17 CO 0.66 -0.22 0.80 -0.22 1.20 0.00 0.00 173.24 175.46 1s78 s LEU 18 N -3.96 -0.53 -0.04 3.45 2.96 -0.49 -4.99 118.68 115.08 1s78 s LEU 18 Ca 0.38 0.50 0.01 0.00 -0.22 0.00 0.00 54.13 54.80 1s78 s LEU 18 Cb -0.07 2.26 0.02 0.00 0.50 0.00 0.00 46.19 48.90 1s78 s LEU 18 CO 0.27 -0.54 -0.06 -0.60 -1.32 0.00 0.00 176.35 174.10 1s78 s ARG 19 N -1.49 0.97 0.02 1.98 3.52 -1.26 -0.38 118.95 122.30 1s78 s ARG 19 Ca -0.06 -0.17 0.04 0.00 -0.13 0.00 0.00 55.73 55.42 1s78 s ARG 19 Cb -0.00 -0.92 -0.03 0.00 -1.56 0.00 0.00 34.95 32.44 1s78 s ARG 19 CO 0.04 -0.05 -0.10 -0.51 -0.81 0.00 0.00 175.30 173.88 1s78 s LEU 20 N 0.80 3.03 0.06 -0.88 1.43 -0.18 -4.66 118.68 118.27 1s78 s LEU 20 Ca -0.12 -0.23 0.05 0.00 -1.03 0.00 0.00 54.13 52.81 1s78 s LEU 20 Cb -0.14 -1.75 -0.04 0.00 0.03 0.00 0.00 46.19 44.29 1s78 s LEU 20 CO 0.01 0.27 -0.08 -0.44 0.23 0.00 0.00 176.35 176.34 1s78 s SER 21 N -1.48 4.55 -0.25 2.29 0.01 0.14 -1.37 113.70 117.61 1s78 s SER 21 Ca 0.17 -0.26 -0.01 0.00 1.31 0.00 0.00 55.95 57.15 1s78 s SER 21 Cb -0.11 -0.97 0.08 0.00 0.21 0.00 0.00 66.02 65.22 1s78 s SER 21 CO 0.07 0.22 0.04 0.00 0.41 0.00 0.00 173.24 173.98 1s78 s ALA 23 N 1.65 3.71 0.03 0.00 0.00 -0.86 -0.71 121.76 125.58 1s78 s ALA 23 Ca 0.02 -0.26 0.04 0.00 0.00 0.00 0.00 51.96 51.76 1s78 s ALA 23 Cb -0.18 -2.35 -0.02 0.00 0.00 0.00 0.00 23.12 20.58 1s78 s ALA 23 CO -0.14 0.50 -0.11 0.00 0.00 0.00 0.00 175.76 176.01 1s78 s ALA 24 N -1.12 0.89 0.22 0.00 0.00 -0.36 -1.27 121.76 120.12 1s78 s ALA 24 Ca 0.24 -0.72 -0.15 0.00 0.00 0.00 0.00 51.96 51.33 1s78 s ALA 24 Cb -0.16 -0.10 0.01 0.00 0.00 0.00 0.00 23.12 22.87 1s78 s ALA 24 CO 0.13 0.13 0.51 -1.54 0.00 0.00 0.00 175.76 174.99 1s78 s SER 25 N -1.13 -0.17 0.00 0.00 1.04 -0.16 -4.80 113.70 108.48 1s78 s SER 25 Ca -0.02 -0.68 0.00 0.00 0.48 0.00 0.00 55.95 55.73 1s78 s SER 25 Cb -0.08 0.58 0.00 0.00 0.10 0.00 0.00 66.02 66.63 1s78 s SER 25 CO 0.01 -1.10 0.00 0.61 0.98 0.00 0.00 173.24 173.74 1s78 n GLY 26 N -0.35 0.74 3.44 7.32 0.00 -1.25 -0.76 105.19 114.32 1s78 n GLY 26 Ca -0.06 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 45.85 1s78 n GLY 26 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 1s78 s PHE 27 N -2.60 -0.35 -0.45 1.61 -0.71 -1.26 -4.40 117.98 109.82 1s78 s PHE 27 Ca 0.00 0.07 -0.27 0.00 -1.04 0.00 0.00 56.93 55.69 1s78 s PHE 27 Cb 0.00 0.46 -0.03 0.00 -1.21 0.00 0.00 43.02 42.24 1s78 s PHE 27 CO 0.00 -0.85 1.93 0.99 -1.34 0.00 0.00 175.22 175.95 1s78 s THR 28 N -3.80 3.34 0.26 -4.49 2.01 -1.26 -4.85 115.64 106.85 1s78 s THR 28 Ca 0.04 0.29 -0.03 0.00 0.31 0.00 0.00 61.69 62.30 1s78 s THR 28 Cb -0.01 -3.64 0.15 0.00 0.01 0.00 0.00 72.50 69.02 1s78 s THR 28 CO -0.10 -0.52 1.81 0.15 -0.69 0.00 0.00 174.62 175.27 1s78 h PHE 29 N 14.70 0.94 0.00 4.92 3.57 -1.96 -2.49 116.94 136.62 1s78 h PHE 29 Ca -0.30 -0.09 0.00 0.00 3.53 0.00 0.00 57.97 61.12 1s78 h PHE 29 Cb 1.18 -0.28 0.00 0.00 2.79 0.00 0.00 35.95 39.65 1s78 h PHE 29 CO 0.99 0.77 0.00 0.25 -2.23 0.00 0.00 178.31 178.09 1s78 n THR 30 N -4.27 0.00 0.21 4.41 -2.24 -1.26 -2.97 114.28 108.16 1s78 n THR 30 Ca 0.05 0.00 0.08 0.00 -2.27 0.00 0.00 64.05 61.91 1s78 n THR 30 Cb 0.22 -0.33 0.15 0.00 -2.10 0.00 0.00 70.33 68.27 1s78 n THR 30 CO 0.00 0.00 0.00 0.47 -0.57 0.00 0.00 175.07 174.97 1s78 n ASP 31 N -0.81 2.86 -3.87 3.42 10.43 -0.94 -4.77 116.55 122.88 1s78 n ASP 31 Ca 0.14 -1.84 -0.11 0.00 2.57 0.00 0.00 54.79 55.55 1s78 n ASP 31 Cb 0.07 -0.17 -0.11 0.00 1.84 0.00 0.00 41.12 42.75 1s78 n ASP 31 CO 0.00 0.00 0.00 -0.31 -1.07 0.00 0.00 177.20 175.82 1s78 s TYR 32 N -1.18 0.00 0.52 1.24 1.51 -1.16 -5.06 117.35 113.23 1s78 s TYR 32 Ca 0.26 -0.02 -0.10 0.00 -1.01 0.00 0.00 57.07 56.20 1s78 s TYR 32 Cb 0.16 -0.03 -0.05 0.00 -0.11 0.00 0.00 41.96 41.92 1s78 s TYR 32 CO 0.22 -0.22 0.90 0.95 -1.11 0.00 0.00 175.55 176.29 1s78 s THR 33 N -0.98 4.74 0.14 -0.71 -4.23 -1.26 -4.56 115.64 108.78 1s78 s THR 33 Ca -0.11 0.71 0.05 0.00 -1.18 0.00 0.00 61.69 61.17 1s78 s THR 33 Cb -0.06 -3.81 -0.04 0.00 1.34 0.00 0.00 72.50 69.93 1s78 s THR 33 CO 0.01 -0.85 -0.11 -0.04 -0.54 0.00 0.00 174.62 173.08 1s78 s MET 34 N -4.58 1.07 0.05 3.99 -1.94 -0.93 -1.90 119.30 115.06 1s78 s MET 34 Ca 0.53 -1.40 -0.00 0.00 -1.71 0.00 0.00 55.69 53.11 1s78 s MET 34 Cb -0.10 -0.73 -0.04 0.00 2.01 0.00 0.00 34.83 35.97 1s78 s MET 34 CO 0.43 0.11 -0.04 -0.51 -0.01 0.00 0.00 175.02 175.00 1s78 s ASP 35 N -2.97 0.57 -0.15 3.03 1.11 0.74 -1.30 116.67 117.71 1s78 s ASP 35 Ca 0.15 -0.88 -0.03 0.00 0.18 0.00 0.00 52.55 51.97 1s78 s ASP 35 Cb 0.00 0.15 -0.02 0.00 1.07 0.00 0.00 42.92 44.12 1s78 s ASP 35 CO 0.02 -0.50 -0.06 0.26 1.18 0.00 0.00 175.17 176.07 1s78 s TRP 36 N -3.26 2.96 -0.05 4.23 0.52 -0.85 -0.73 118.94 121.77 1s78 s TRP 36 Ca 0.02 -0.38 0.03 0.00 0.02 0.00 0.00 56.10 55.79 1s78 s TRP 36 Cb 0.03 -1.92 0.00 0.00 -1.15 0.00 0.00 33.47 30.44 1s78 s TRP 36 CO -0.07 -0.07 -0.15 0.08 0.02 0.00 0.00 176.95 176.76 1s78 s VAL 37 N 0.33 1.27 0.32 4.03 1.01 0.71 -0.53 120.40 127.53 1s78 s VAL 37 Ca -0.06 -0.59 0.09 0.00 0.00 0.00 0.00 61.98 61.42 1s78 s VAL 37 Cb -0.15 -1.12 -0.05 0.00 0.00 0.00 0.00 36.38 35.06 1s78 s VAL 37 CO 0.04 0.38 -0.02 0.00 0.00 0.00 0.00 175.10 175.50 1s78 s ARG 38 N 0.35 2.08 -0.30 2.72 1.70 0.16 -0.09 118.95 125.57 1s78 s ARG 38 Ca -0.10 -1.67 0.00 0.00 -0.47 0.00 0.00 55.73 53.50 1s78 s ARG 38 Cb -0.13 -1.96 0.14 0.00 -0.57 0.00 0.00 34.95 32.42 1s78 s ARG 38 CO 0.03 0.21 0.32 -1.14 -1.08 0.00 0.00 175.30 173.65 1s78 s GLN 39 N -3.68 0.38 0.26 3.89 0.74 0.29 -1.23 119.66 120.31 1s78 s GLN 39 Ca 0.33 -0.20 -0.30 0.00 0.05 0.00 0.00 55.36 55.25 1s78 s GLN 39 Cb -0.02 -0.61 -0.10 0.00 1.10 0.00 0.00 33.01 33.38 1s78 s GLN 39 CO 0.19 -1.06 1.33 0.00 -0.55 0.00 0.00 175.29 175.20 1s78 s ALA 40 N 2.26 3.53 -0.34 1.58 0.00 -1.26 -1.55 121.76 125.99 1s78 s ALA 40 Ca 0.10 1.20 -0.45 0.00 0.00 0.00 0.00 51.96 52.82 1s78 s ALA 40 Cb -0.14 -3.49 -0.20 0.00 0.00 0.00 0.00 23.12 19.29 1s78 s ALA 40 CO -0.28 -0.60 1.43 -2.30 0.00 0.00 0.00 175.76 174.01 1s78 n PRO 41 N 1.85 0.01 -0.05 0.00 -0.02 -1.26 -0.15 135.00 135.38 1s78 n PRO 41 Ca 0.04 0.01 0.00 0.00 -2.02 0.00 0.00 63.50 61.52 1s78 n PRO 41 Cb 0.42 -1.51 0.00 0.00 -0.02 0.00 0.00 33.50 32.39 1s78 n PRO 41 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1s78 n GLY 42 N 3.19 2.53 0.00 -1.23 0.00 -1.26 -4.98 105.19 103.44 1s78 n GLY 42 Ca 0.27 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.29 1s78 n GLY 42 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1s78 n LYS 43 N -2.00 1.52 0.00 1.61 5.02 0.78 -5.16 118.16 119.94 1s78 n LYS 43 Ca 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.29 1s78 n LYS 43 Cb 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 35.03 35.01 1s78 n LYS 43 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1s78 n GLY 44 N 5.00 2.45 3.56 0.72 0.00 -1.26 -4.68 105.19 110.98 1s78 n GLY 44 Ca 0.00 -2.03 -0.40 0.00 0.00 0.00 0.00 46.02 43.60 1s78 n GLY 44 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1s78 s LEU 45 N 0.00 4.28 -0.18 0.99 1.43 -1.26 -4.08 118.68 119.86 1s78 s LEU 45 Ca 0.00 -0.09 -0.05 0.00 -1.03 0.00 0.00 54.13 52.95 1s78 s LEU 45 Cb 0.00 -2.29 -0.03 0.00 0.03 0.00 0.00 46.19 43.90 1s78 s LEU 45 CO 0.00 -0.23 0.01 -0.70 0.23 0.00 0.00 176.35 175.65 1s78 s GLU 46 N 1.94 3.74 0.30 1.70 2.12 -0.36 -4.98 118.70 123.15 1s78 s GLU 46 Ca 0.11 -0.47 -0.29 0.00 0.36 0.00 0.00 54.97 54.68 1s78 s GLU 46 Cb -0.16 -3.07 -0.09 0.00 0.26 0.00 0.00 34.13 31.06 1s78 s GLU 46 CO 0.11 0.15 1.07 -0.46 -0.54 0.00 0.00 175.26 175.60 1s78 s TRP 47 N 0.64 3.57 -0.08 5.30 -0.00 -1.26 -0.66 118.94 126.45 1s78 s TRP 47 Ca 0.00 1.72 -0.10 0.00 -0.00 0.00 0.00 56.10 57.71 1s78 s TRP 47 Cb -0.14 -3.23 -0.03 0.00 -0.00 0.00 0.00 33.47 30.07 1s78 s TRP 47 CO 0.02 -0.45 -0.20 0.28 -0.00 0.00 0.00 176.95 176.60 1s78 n VAL 48 N 1.01 1.17 -3.75 5.86 0.31 0.31 -4.78 118.33 118.46 1s78 n VAL 48 Ca -0.00 0.24 -0.03 0.00 -0.01 0.00 0.00 64.34 64.54 1s78 n VAL 48 Cb 0.46 -1.99 -0.01 0.00 -0.91 0.00 0.00 33.84 31.39 1s78 n VAL 48 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 1s78 s ALA 49 N -2.65 -1.72 -0.28 3.52 0.00 -1.16 -0.93 121.76 118.53 1s78 s ALA 49 Ca -0.17 0.14 -0.03 0.00 0.00 0.00 0.00 51.96 51.90 1s78 s ALA 49 Cb 0.02 0.62 0.10 0.00 0.00 0.00 0.00 23.12 23.86 1s78 s ALA 49 CO 0.25 -1.05 0.12 0.34 0.00 0.00 0.00 175.76 175.42 1s78 s ASP 50 N -2.99 3.56 -0.01 0.00 2.15 -0.17 -2.00 116.67 117.20 1s78 s ASP 50 Ca 0.13 -1.32 -0.08 0.00 0.43 0.00 0.00 52.55 51.72 1s78 s ASP 50 Cb -0.01 -0.48 -0.05 0.00 -0.30 0.00 0.00 42.92 42.09 1s78 s ASP 50 CO 0.02 -0.42 0.27 0.54 -0.17 0.00 0.00 175.17 175.40 1s78 s VAL 51 N 1.98 5.30 -0.14 1.11 0.11 -0.42 -0.81 120.40 127.53 1s78 s VAL 51 Ca 0.08 0.27 -0.03 0.00 -2.93 0.00 0.00 61.98 59.37 1s78 s VAL 51 Cb -0.16 -3.56 -0.03 0.00 -1.53 0.00 0.00 36.38 31.10 1s78 s VAL 51 CO -0.31 0.43 -0.03 0.21 -3.33 0.00 0.00 175.10 172.07 1s78 s ASN 52 N -1.51 4.90 0.19 3.54 3.84 -0.42 -2.19 114.94 123.29 1s78 s ASN 52 Ca 0.25 -0.07 0.10 0.00 0.21 0.00 0.00 52.86 53.35 1s78 s ASN 52 Cb -0.13 -1.70 -0.04 0.00 -0.55 0.00 0.00 41.25 38.83 1s78 s ASN 52 CO 0.14 0.21 1.38 -0.65 -2.79 0.00 0.00 177.10 175.39 1s78 h PRO 52 N 6.37 0.00 0.01 0.43 0.11 -1.90 0.31 132.00 137.33 1s78 h PRO 52 Ca -0.36 0.00 -0.00 0.00 0.11 0.00 0.00 66.00 65.75 1s78 h PRO 52 Cb 1.19 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.30 1s78 h PRO 52 CO 0.61 0.82 -0.00 -0.91 -0.21 0.00 0.00 178.00 178.31 1s78 h ASN 53 N 0.00 -0.01 0.80 -2.05 2.35 -1.94 -3.36 115.58 111.37 1s78 h ASN 53 Ca -0.01 -0.76 -0.24 0.00 -0.55 0.00 0.00 56.30 54.74 1s78 h ASN 53 Cb 1.56 0.00 -0.03 0.00 0.05 0.00 0.00 38.32 39.90 1s78 h ASN 53 CO 0.11 0.77 -1.24 0.77 -1.65 0.00 0.00 177.43 176.18 1s78 h SER 54 N -0.80 0.06 0.00 5.81 4.64 -2.00 -3.47 113.55 117.78 1s78 h SER 54 Ca -0.00 -0.08 0.00 0.00 -0.47 0.00 0.00 61.79 61.24 1s78 h SER 54 Cb 0.77 -0.02 0.00 0.00 -0.31 0.00 0.00 62.40 62.84 1s78 h SER 54 CO 0.00 1.06 0.00 0.61 -0.87 0.00 0.00 176.83 177.63 1s78 n GLY 55 N 1.44 0.88 3.83 -0.77 0.00 0.11 -5.03 105.19 105.65 1s78 n GLY 55 Ca -0.06 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.58 1s78 n GLY 55 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1s78 s GLY 56 N -1.80 2.48 0.13 -0.02 0.00 -1.22 -4.72 107.32 102.17 1s78 s GLY 56 Ca 0.00 -0.21 0.05 0.00 0.00 0.00 0.00 44.72 44.56 1s78 s GLY 56 CO 0.00 0.21 0.07 -1.35 0.00 0.00 0.00 173.10 172.03 1s78 s SER 57 N -0.95 5.32 -0.30 1.64 1.04 -1.26 -1.30 113.70 117.90 1s78 s SER 57 Ca 0.24 -0.14 -0.02 0.00 0.48 0.00 0.00 55.95 56.51 1s78 s SER 57 Cb -0.17 -1.35 0.05 0.00 0.10 0.00 0.00 66.02 64.65 1s78 s SER 57 CO 0.13 0.12 -0.01 -0.63 0.98 0.00 0.00 173.24 173.84 1s78 s ILE 58 N -1.55 2.97 0.15 -1.02 1.01 0.01 -4.92 121.20 117.85 1s78 s ILE 58 Ca 0.29 -1.37 0.08 0.00 0.00 0.00 0.00 60.65 59.64 1s78 s ILE 58 Cb -0.11 -2.70 -0.04 0.00 0.01 0.00 0.00 42.46 39.62 1s78 s ILE 58 CO 0.21 -0.09 -0.07 -0.72 0.00 0.00 0.00 174.94 174.27 1s78 s TYR 59 N 1.25 2.73 0.02 3.97 -0.85 -1.26 -1.00 117.35 122.21 1s78 s TYR 59 Ca -0.05 -0.17 -0.30 0.00 -0.52 0.00 0.00 57.07 56.02 1s78 s TYR 59 Cb -0.20 -1.37 -0.06 0.00 0.38 0.00 0.00 41.96 40.72 1s78 s TYR 59 CO -0.01 0.48 1.37 1.21 -1.52 0.00 0.00 175.55 177.08 1s78 s ASN 60 N -2.59 6.88 0.56 -0.18 3.84 -0.11 -4.91 114.94 118.42 1s78 s ASN 60 Ca 0.24 2.13 0.32 0.00 0.21 0.00 0.00 52.86 55.76 1s78 s ASN 60 Cb -0.10 -2.57 1.47 0.00 -0.55 0.00 0.00 41.25 39.50 1s78 s ASN 60 CO 0.15 -0.68 1.83 1.56 -2.79 0.00 0.00 177.10 177.18 1s78 h GLN 61 N 7.55 0.00 -0.32 0.43 1.08 -1.97 -0.80 115.11 121.08 1s78 h GLN 61 Ca -0.39 0.00 0.09 0.00 -1.45 0.00 0.00 58.65 56.91 1s78 h GLN 61 Cb 1.19 0.00 -0.01 0.00 -0.05 0.00 0.00 27.48 28.60 1s78 h GLN 61 CO 0.89 0.00 0.42 0.00 -0.95 0.00 0.00 178.83 179.19 1s78 h ARG 62 N 0.00 0.00 -0.00 1.46 2.47 -1.96 -2.81 114.38 113.54 1s78 h ARG 62 Ca 0.41 0.00 0.00 0.00 -1.26 0.00 0.00 59.98 59.13 1s78 h ARG 62 Cb 1.79 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 30.11 1s78 h ARG 62 CO -0.00 0.00 -0.02 1.19 0.56 0.00 0.00 179.97 181.70 1s78 n PHE 63 N -3.55 0.00 -1.47 3.04 3.01 -0.31 -5.01 117.46 113.18 1s78 n PHE 63 Ca 0.05 0.00 -0.62 0.00 1.01 0.00 0.00 57.45 57.90 1s78 n PHE 63 Cb 0.57 0.00 -0.10 0.00 -0.01 0.00 0.00 39.48 39.93 1s78 n PHE 63 CO 0.00 0.00 0.00 1.17 1.01 0.00 0.00 176.76 178.94 1s78 n LYS 64 N -0.12 0.00 -0.71 -1.08 0.00 -1.06 -0.68 118.16 114.50 1s78 n LYS 64 Ca 0.01 0.00 0.00 0.00 0.00 0.00 0.00 58.31 58.32 1s78 n LYS 64 Cb 0.05 -1.43 0.00 0.00 0.00 0.00 0.00 35.03 33.65 1s78 n LYS 64 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.40 177.81 1s78 n GLY 65 N 5.27 0.64 1.25 3.14 0.00 -1.26 -4.86 105.19 109.37 1s78 n GLY 65 Ca 0.40 -0.03 0.00 0.00 0.00 0.00 0.00 46.02 46.39 1s78 n GLY 65 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1s78 n ARG 66 N -2.71 0.00 -3.27 1.61 1.74 0.14 -4.97 116.66 109.20 1s78 n ARG 66 Ca 0.00 0.00 -0.39 0.00 -0.77 0.00 0.00 57.85 56.69 1s78 n ARG 66 Cb 0.00 -0.38 -0.06 0.00 -1.02 0.00 0.00 32.46 31.00 1s78 n ARG 66 CO 0.00 0.00 0.00 -0.06 -1.52 0.00 0.00 177.63 176.05 1s78 s PHE 67 N -2.00 3.69 0.03 -1.55 0.40 -1.12 -1.69 117.98 115.74 1s78 s PHE 67 Ca 0.00 1.14 0.05 0.00 -0.60 0.00 0.00 56.93 57.52 1s78 s PHE 67 Cb 0.00 -2.54 -0.02 0.00 0.51 0.00 0.00 43.02 40.97 1s78 s PHE 67 CO 0.00 0.41 -0.14 0.99 0.70 0.00 0.00 175.22 177.18 1s78 s THR 68 N -0.36 1.13 0.01 0.64 2.01 -0.26 -4.84 115.64 113.98 1s78 s THR 68 Ca 0.29 -0.92 0.05 0.00 0.31 0.00 0.00 61.69 61.42 1s78 s THR 68 Cb -0.18 -1.01 -0.03 0.00 0.01 0.00 0.00 72.50 71.29 1s78 s THR 68 CO 0.16 0.08 -0.12 -0.76 -0.69 0.00 0.00 174.62 173.29 1s78 s LEU 69 N -0.96 2.88 -0.03 4.42 1.43 -1.26 -0.60 118.68 124.56 1s78 s LEU 69 Ca 0.03 -0.27 -0.08 0.00 -1.03 0.00 0.00 54.13 52.77 1s78 s LEU 69 Cb -0.07 -1.66 0.01 0.00 0.03 0.00 0.00 46.19 44.50 1s78 s LEU 69 CO 0.01 0.28 0.18 -0.94 0.23 0.00 0.00 176.35 176.11 1s78 s SER 70 N -1.35 -0.09 0.09 2.29 1.04 -0.57 -4.90 113.70 110.22 1s78 s SER 70 Ca 0.15 0.05 0.10 0.00 0.48 0.00 0.00 55.95 56.73 1s78 s SER 70 Cb -0.11 0.29 -0.04 0.00 0.10 0.00 0.00 66.02 66.27 1s78 s SER 70 CO 0.06 -0.27 -0.24 0.68 0.98 0.00 0.00 173.24 174.45 1s78 s VAL 71 N -0.85 2.43 -0.51 5.02 -7.23 -1.26 -0.33 120.40 117.68 1s78 s VAL 71 Ca -0.09 -1.53 0.04 0.00 -1.81 0.00 0.00 61.98 58.59 1s78 s VAL 71 Cb -0.05 -2.05 0.16 0.00 0.56 0.00 0.00 36.38 35.00 1s78 s VAL 71 CO 0.01 0.20 0.35 -0.62 -0.31 0.00 0.00 175.10 174.73 1s78 s ASP 72 N -1.77 3.25 0.34 4.85 -1.08 -0.34 -4.99 116.67 116.93 1s78 s ASP 72 Ca 0.14 -3.12 0.25 0.00 -0.52 0.00 0.00 52.55 49.30 1s78 s ASP 72 Cb -0.10 -1.00 1.18 0.00 -1.46 0.00 0.00 42.92 41.55 1s78 s ASP 72 CO 0.06 -0.18 1.76 0.08 0.52 0.00 0.00 175.17 177.41 1s78 h ARG 73 N 5.98 0.00 0.00 4.34 0.11 -1.91 0.30 114.38 123.20 1s78 h ARG 73 Ca 0.13 0.00 -0.02 0.00 0.10 0.00 0.00 59.98 60.19 1s78 h ARG 73 Cb 0.87 0.00 -0.00 0.00 1.11 0.00 0.00 29.97 31.95 1s78 h ARG 73 CO 0.51 0.00 -0.08 0.66 0.10 0.00 0.00 179.97 181.15 1s78 h SER 74 N 0.00 0.00 0.00 0.08 4.64 -1.96 -2.98 113.55 113.34 1s78 h SER 74 Ca 0.00 0.00 -0.06 0.00 -0.47 0.00 0.00 61.79 61.26 1s78 h SER 74 Cb 0.22 0.00 -0.12 0.00 -0.31 0.00 0.00 62.40 62.19 1s78 h SER 74 CO 0.00 0.08 -0.60 2.29 -0.87 0.00 0.00 176.83 177.73 1s78 n LYS 75 N -4.16 0.90 -3.96 4.77 2.85 0.05 -5.02 118.16 113.59 1s78 n LYS 75 Ca -0.03 -2.58 -0.31 0.00 -1.05 0.00 0.00 58.31 54.34 1s78 n LYS 75 Cb 0.17 -0.99 -0.02 0.00 -0.65 0.00 0.00 35.03 33.54 1s78 n LYS 75 CO 0.00 0.00 0.00 0.09 -0.05 0.00 0.00 177.40 177.44 1s78 n ASN 76 N -0.55 -1.70 -4.05 -5.58 5.03 -0.95 -4.63 115.26 102.84 1s78 n ASN 76 Ca 0.13 -0.98 -0.23 0.00 0.87 0.00 0.00 54.58 54.36 1s78 n ASN 76 Cb 0.83 -1.19 -0.16 0.00 -1.02 0.00 0.00 39.78 38.24 1s78 n ASN 76 CO 0.00 0.00 0.00 -0.89 -1.83 0.00 0.00 177.26 174.54 1s78 s THR 77 N -3.95 1.07 0.36 3.41 2.01 -1.16 -1.22 115.64 116.17 1s78 s THR 77 Ca 0.24 -0.50 0.01 0.00 0.31 0.00 0.00 61.69 61.75 1s78 s THR 77 Cb -0.13 -0.95 -0.02 0.00 0.01 0.00 0.00 72.50 71.40 1s78 s THR 77 CO 0.74 0.33 0.55 -0.76 -0.69 0.00 0.00 174.62 174.79 1s78 s LEU 78 N 0.27 3.97 -0.03 4.42 1.02 0.11 -1.19 118.68 127.24 1s78 s LEU 78 Ca -0.06 0.33 -0.00 0.00 0.02 0.00 0.00 54.13 54.41 1s78 s LEU 78 Cb -0.11 -3.19 0.03 0.00 0.02 0.00 0.00 46.19 42.93 1s78 s LEU 78 CO 0.02 -0.36 0.03 -0.31 0.02 0.00 0.00 176.35 175.75 1s78 s TYR 79 N -2.32 0.07 -0.24 0.29 1.51 0.56 -1.25 117.35 115.96 1s78 s TYR 79 Ca 0.41 0.14 -0.04 0.00 -1.01 0.00 0.00 57.07 56.58 1s78 s TYR 79 Cb -0.10 -0.31 0.00 0.00 -0.11 0.00 0.00 41.96 41.44 1s78 s TYR 79 CO 0.35 -0.12 -0.01 -1.17 -1.11 0.00 0.00 175.55 173.49 1s78 s LEU 80 N 1.32 3.20 -0.33 -1.29 2.96 -0.47 -1.51 118.68 122.56 1s78 s LEU 80 Ca -0.06 -0.56 -0.09 0.00 -0.22 0.00 0.00 54.13 53.21 1s78 s LEU 80 Cb -0.13 -1.76 0.02 0.00 0.50 0.00 0.00 46.19 44.82 1s78 s LEU 80 CO -0.03 -0.08 0.14 -1.58 -1.32 0.00 0.00 176.35 173.48 1s78 s GLN 81 N 1.46 2.97 -0.21 1.98 2.00 0.23 -1.01 119.66 127.07 1s78 s GLN 81 Ca 0.04 -0.96 -0.10 0.00 -2.00 0.00 0.00 55.36 52.34 1s78 s GLN 81 Cb -0.15 -3.54 -0.05 0.00 0.80 0.00 0.00 33.01 30.07 1s78 s GLN 81 CO -0.02 -0.56 0.13 -1.64 -0.50 0.00 0.00 175.29 172.70 1s78 s MET 82 N 1.52 4.14 0.33 1.67 -1.94 0.48 -1.10 119.30 124.40 1s78 s MET 82 Ca 0.02 -0.24 0.10 0.00 -1.71 0.00 0.00 55.69 53.85 1s78 s MET 82 Cb -0.18 -3.42 -0.06 0.00 2.01 0.00 0.00 34.83 33.18 1s78 s MET 82 CO 0.05 0.25 -0.08 -0.80 -0.01 0.00 0.00 175.02 174.42 1s78 s ASN 82 N 0.50 3.87 -1.29 3.03 0.01 -0.68 -1.40 114.94 118.97 1s78 s ASN 82 Ca 0.07 -1.08 -0.12 0.00 -0.71 0.00 0.00 52.86 51.03 1s78 s ASN 82 Cb -0.12 -0.41 0.00 0.00 0.41 0.00 0.00 41.25 41.13 1s78 s ASN 82 CO -0.01 -0.15 0.57 -1.20 -1.51 0.00 0.00 177.10 174.80 1s78 n SER 82 N -0.81 -2.51 -4.73 -1.22 7.64 -1.10 -4.76 113.62 106.13 1s78 n SER 82 Ca -0.05 -1.06 -0.41 0.00 1.01 0.00 0.00 58.87 58.36 1s78 n SER 82 Cb 0.62 -2.95 -0.04 0.00 -1.01 0.00 0.00 64.21 60.84 1s78 n SER 82 CO 0.00 0.00 0.00 -0.76 -3.01 0.00 0.00 175.04 171.27 1s78 s LEU 82 N -6.86 4.46 0.40 -3.43 1.43 -1.12 -4.65 118.68 108.91 1s78 s LEU 82 Ca 0.23 2.11 0.04 0.00 -1.03 0.00 0.00 54.13 55.48 1s78 s LEU 82 Cb -0.09 -3.60 -0.03 0.00 0.03 0.00 0.00 46.19 42.49 1s78 s LEU 82 CO 0.89 -0.29 0.11 0.00 0.23 0.00 0.00 176.35 177.29 1s78 s ARG 83 N -0.16 1.90 0.15 1.70 3.03 -1.26 0.71 118.95 125.02 1s78 s ARG 83 Ca 0.51 -2.14 -0.29 0.00 2.03 0.00 0.00 55.73 55.84 1s78 s ARG 83 Cb -0.30 -0.72 -0.04 0.00 -1.03 0.00 0.00 34.95 32.87 1s78 s ARG 83 CO 0.35 -0.42 1.56 0.00 -1.13 0.00 0.00 175.30 175.66 1s78 h ALA 84 N 1.82 -0.54 -0.02 7.88 0.00 -1.97 -1.45 119.26 124.97 1s78 h ALA 84 Ca -0.37 0.06 0.01 0.00 0.00 0.00 0.00 54.91 54.61 1s78 h ALA 84 Cb 1.27 1.05 -0.00 0.00 0.00 0.00 0.00 17.79 20.11 1s78 h ALA 84 CO 0.60 -0.94 0.44 0.93 0.00 0.00 0.00 179.25 180.28 1s78 h GLU 85 N -0.30 0.00 0.00 0.00 5.08 -1.97 0.37 114.58 117.76 1s78 h GLU 85 Ca 0.13 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.49 1s78 h GLU 85 Cb 0.57 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.82 1s78 h GLU 85 CO -0.66 0.00 -0.19 -0.25 -1.00 0.00 0.00 179.01 176.92 1s78 n ASP 86 N -2.86 0.68 -4.61 1.42 8.00 -0.55 -4.84 116.55 113.79 1s78 n ASP 86 Ca -0.01 0.41 -0.43 0.00 0.71 0.00 0.00 54.79 55.47 1s78 n ASP 86 Cb 0.48 -0.46 -0.03 0.00 -0.02 0.00 0.00 41.12 41.09 1s78 n ASP 86 CO 0.00 0.00 0.00 -0.89 -0.39 0.00 0.00 177.20 175.92 1s78 s THR 87 N -3.10 3.09 0.09 -3.53 2.01 0.13 -4.89 115.64 109.44 1s78 s THR 87 Ca 0.10 0.09 -0.27 0.00 0.31 0.00 0.00 61.69 61.92 1s78 s THR 87 Cb 0.14 -3.10 0.08 0.00 0.01 0.00 0.00 72.50 69.62 1s78 s THR 87 CO 0.63 -0.06 1.04 0.00 -0.69 0.00 0.00 174.62 175.54 1s78 s ALA 88 N 7.54 -1.82 0.11 7.40 0.00 -0.39 -4.29 121.76 130.30 1s78 s ALA 88 Ca 0.96 0.36 -0.30 0.00 0.00 0.00 0.00 51.96 52.97 1s78 s ALA 88 Cb -0.33 0.54 -0.06 0.00 0.00 0.00 0.00 23.12 23.27 1s78 s ALA 88 CO 0.36 -1.01 1.00 0.08 0.00 0.00 0.00 175.76 176.18 1s78 s VAL 89 N -3.04 4.42 -0.50 0.00 1.01 -0.60 0.08 120.40 121.78 1s78 s VAL 89 Ca 0.12 1.97 -0.01 0.00 0.00 0.00 0.00 61.98 64.06 1s78 s VAL 89 Cb 0.00 -4.26 0.13 0.00 0.00 0.00 0.00 36.38 32.26 1s78 s VAL 89 CO -0.00 0.28 0.28 -0.31 0.00 0.00 0.00 175.10 175.35 1s78 s TYR 90 N 0.14 3.49 0.30 5.22 1.51 0.29 -0.55 117.35 127.75 1s78 s TYR 90 Ca 0.49 -2.70 -0.28 0.00 -1.01 0.00 0.00 57.07 53.56 1s78 s TYR 90 Cb -0.24 -3.13 -0.09 0.00 -0.11 0.00 0.00 41.96 38.39 1s78 s TYR 90 CO 0.30 -0.89 1.06 0.71 -1.11 0.00 0.00 175.55 175.62 1s78 s TYR 91 N 0.47 3.58 -0.17 2.71 1.51 0.87 -2.72 117.35 123.60 1s78 s TYR 91 Ca 0.13 1.73 -0.04 0.00 -1.01 0.00 0.00 57.07 57.87 1s78 s TYR 91 Cb -0.22 -3.19 -0.03 0.00 -0.11 0.00 0.00 41.96 38.41 1s78 s TYR 91 CO -0.04 -0.39 -0.02 0.00 -1.11 0.00 0.00 175.55 173.99 1s78 s ALA 93 N 0.58 1.16 -0.30 0.00 0.00 0.09 -1.21 121.76 122.09 1s78 s ALA 93 Ca -0.02 -1.45 -0.17 0.00 0.00 0.00 0.00 51.96 50.32 1s78 s ALA 93 Cb -0.14 0.29 -0.02 0.00 0.00 0.00 0.00 23.12 23.25 1s78 s ALA 93 CO 0.02 -0.25 0.46 0.50 0.00 0.00 0.00 175.76 176.49 1s78 s ARG 94 N -3.86 3.87 -0.15 0.00 3.52 -1.01 -0.18 118.95 121.14 1s78 s ARG 94 Ca 0.17 0.03 -0.29 0.00 -0.13 0.00 0.00 55.73 55.51 1s78 s ARG 94 Cb 0.05 -3.71 -0.04 0.00 -1.56 0.00 0.00 34.95 29.69 1s78 s ARG 94 CO -0.01 -0.44 1.60 1.21 -0.81 0.00 0.00 175.30 176.85 1s78 s ASN 95 N 1.66 6.54 0.00 -2.12 3.84 -0.80 -3.03 114.94 121.03 1s78 s ASN 95 Ca 0.18 1.87 0.00 0.00 0.21 0.00 0.00 52.86 55.12 1s78 s ASN 95 Cb -0.16 -2.53 0.00 0.00 -0.55 0.00 0.00 41.25 38.01 1s78 s ASN 95 CO 0.11 -1.08 0.00 -0.11 -2.79 0.00 0.00 177.10 173.23 1s78 n LEU 96 N 7.78 0.00 -4.76 3.21 7.94 -0.73 -4.25 117.00 126.19 1s78 n LEU 96 Ca 0.18 0.00 -0.39 0.00 -1.11 0.00 0.00 56.01 54.69 1s78 n LEU 96 Cb 0.44 0.00 0.01 0.00 0.53 0.00 0.00 43.42 44.40 1s78 n LEU 96 CO 0.63 0.00 0.96 -0.83 -1.11 0.00 0.00 177.39 177.04 1s78 s GLY 97 N 0.00 2.89 0.00 -3.96 0.00 -1.26 -4.74 107.32 100.24 1s78 s GLY 97 Ca 0.00 1.24 0.00 0.00 0.00 0.00 0.00 44.72 45.96 1s78 s GLY 97 CO 0.00 1.79 0.82 -1.55 0.00 0.00 0.00 173.10 174.17 1s78 n PRO 98 N -0.32 0.47 -2.46 2.90 -0.04 -1.26 -4.32 135.00 129.96 1s78 n PRO 98 Ca 0.06 0.00 -0.25 0.00 -0.04 0.00 0.00 63.50 63.28 1s78 n PRO 98 Cb 0.44 -1.27 0.12 0.00 -0.04 0.00 0.00 33.50 32.76 1s78 n PRO 98 CO 0.00 0.00 0.00 -1.12 -0.04 0.00 0.00 175.50 174.34 1s78 s SER 99 N 1.76 4.17 -0.54 3.54 0.01 -1.26 -5.07 113.70 116.32 1s78 s SER 99 Ca 0.00 -0.21 0.03 0.00 1.31 0.00 0.00 55.95 57.07 1s78 s SER 99 Cb 0.00 -0.13 0.42 0.00 0.21 0.00 0.00 66.02 66.52 1s78 s SER 99 CO 0.00 -1.99 1.52 0.49 0.41 0.00 0.00 173.24 173.67 1s78 n PHE 99 N -2.99 3.12 -4.37 2.43 3.72 -1.26 -4.08 117.46 114.03 1s78 n PHE 99 Ca 0.15 -2.69 -0.30 0.00 -0.05 0.00 0.00 57.45 54.55 1s78 n PHE 99 Cb 0.60 -0.66 -0.11 0.00 -0.94 0.00 0.00 39.48 38.37 1s78 n PHE 99 CO 0.00 0.00 0.00 1.52 -0.05 0.00 0.00 176.76 178.23 1s78 s TYR 99 N -3.74 2.68 -0.05 1.38 -0.85 -1.26 -5.00 117.35 110.51 1s78 s TYR 99 Ca 0.53 -0.18 0.05 0.00 -0.52 0.00 0.00 57.07 56.94 1s78 s TYR 99 Cb 0.43 -1.44 -0.00 0.00 0.38 0.00 0.00 41.96 41.32 1s78 s TYR 99 CO -0.16 0.37 -0.19 -0.06 -1.52 0.00 0.00 175.55 174.00 1s78 s PHE 100 N -1.11 1.89 0.00 -3.49 0.40 -1.26 -1.77 117.98 112.64 1s78 s PHE 100 Ca 0.19 -0.57 0.00 0.00 -0.60 0.00 0.00 56.93 55.95 1s78 s PHE 100 Cb -0.11 -1.27 0.00 0.00 0.51 0.00 0.00 43.02 42.15 1s78 s PHE 100 CO 0.10 -0.20 0.00 -0.40 0.70 0.00 0.00 175.22 175.43 1s78 n ASP 101 N 3.16 0.00 -4.67 1.36 5.68 -1.17 -4.89 116.55 116.02 1s78 n ASP 101 Ca -0.18 0.03 -0.43 0.00 -0.50 0.00 0.00 54.79 53.71 1s78 n ASP 101 Cb 0.53 -0.06 -0.02 0.00 -1.14 0.00 0.00 41.12 40.43 1s78 n ASP 101 CO 0.00 0.00 0.00 -0.31 -1.33 0.00 0.00 177.20 175.56 1s78 s TYR 102 N -0.11 3.25 -0.08 2.11 1.51 -1.26 -4.92 117.35 117.85 1s78 s TYR 102 Ca 0.00 1.36 0.01 0.00 -1.01 0.00 0.00 57.07 57.43 1s78 s TYR 102 Cb 0.00 -3.33 -0.03 0.00 -0.11 0.00 0.00 41.96 38.50 1s78 s TYR 102 CO 0.00 -0.82 -0.08 -1.58 -1.11 0.00 0.00 175.55 171.96 1s78 s TRP 103 N 2.82 2.90 1.12 2.71 0.52 -1.26 -2.41 118.94 125.34 1s78 s TRP 103 Ca 0.49 -0.09 -0.17 0.00 0.02 0.00 0.00 56.10 56.36 1s78 s TRP 103 Cb -0.19 -1.73 0.25 0.00 -1.15 0.00 0.00 33.47 30.65 1s78 s TRP 103 CO 0.13 0.23 1.12 0.20 0.02 0.00 0.00 176.95 178.66 1s78 s GLY 104 N -0.59 1.59 0.32 0.98 0.00 -0.35 -4.89 107.32 104.38 1s78 s GLY 104 Ca 0.09 -0.80 0.06 0.00 0.00 0.00 0.00 44.72 44.07 1s78 s GLY 104 CO 0.02 -0.01 1.77 -1.61 0.00 0.00 0.00 173.10 173.27 1s78 h GLN 105 N -2.29 0.30 0.00 2.90 5.75 -1.90 -3.44 115.11 116.42 1s78 h GLN 105 Ca -0.48 -0.11 0.00 0.00 -0.15 0.00 0.00 58.65 57.91 1s78 h GLN 105 Cb 1.30 -0.02 0.00 0.00 1.07 0.00 0.00 27.48 29.83 1s78 h GLN 105 CO 0.42 0.56 0.00 0.41 -2.65 0.00 0.00 178.83 177.57 1s78 n GLY 106 N -0.45 0.29 3.87 2.39 0.00 -1.26 -4.94 105.19 105.09 1s78 n GLY 106 Ca -0.01 -1.33 -0.36 0.00 0.00 0.00 0.00 46.02 44.32 1s78 n GLY 106 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 1s78 s THR 107 N -0.69 5.43 -0.08 2.61 -1.32 -1.10 -4.81 115.64 115.67 1s78 s THR 107 Ca 0.00 0.11 -0.15 0.00 -1.21 0.00 0.00 61.69 60.44 1s78 s THR 107 Cb 0.00 -3.40 -0.05 0.00 -1.51 0.00 0.00 72.50 67.55 1s78 s THR 107 CO 0.00 0.56 0.37 -0.22 -2.21 0.00 0.00 174.62 173.12 1s78 s LEU 108 N -1.21 4.35 -0.15 9.08 0.20 -1.26 0.10 118.68 129.79 1s78 s LEU 108 Ca 0.17 0.76 -0.00 0.00 0.69 0.00 0.00 54.13 55.75 1s78 s LEU 108 Cb -0.12 -2.52 -0.01 0.00 -0.43 0.00 0.00 46.19 43.11 1s78 s LEU 108 CO 0.07 0.18 -0.13 -0.69 -0.29 0.00 0.00 176.35 175.49 1s78 s VAL 109 N -0.19 2.96 -0.20 1.68 1.01 0.11 -2.25 120.40 123.52 1s78 s VAL 109 Ca 0.22 -0.68 0.00 0.00 0.00 0.00 0.00 61.98 61.52 1s78 s VAL 109 Cb -0.15 -2.26 0.02 0.00 0.00 0.00 0.00 36.38 34.00 1s78 s VAL 109 CO 0.09 0.51 -0.15 -0.89 0.00 0.00 0.00 175.10 174.66 1s78 s THR 110 N 0.64 2.38 -0.40 3.92 2.01 0.46 -1.26 115.64 123.39 1s78 s THR 110 Ca -0.07 -0.96 -0.07 0.00 0.31 0.00 0.00 61.69 60.89 1s78 s THR 110 Cb -0.15 -2.09 0.08 0.00 0.01 0.00 0.00 72.50 70.34 1s78 s THR 110 CO 0.03 0.41 0.22 -0.69 -0.69 0.00 0.00 174.62 173.89 1s78 s VAL 111 N 1.30 3.93 -0.01 3.82 1.01 -1.26 -1.50 120.40 127.69 1s78 s VAL 111 Ca 0.03 -1.49 -0.23 0.00 0.00 0.00 0.00 61.98 60.29 1s78 s VAL 111 Cb -0.14 -3.42 0.05 0.00 0.00 0.00 0.00 36.38 32.86 1s78 s VAL 111 CO -0.09 -0.48 0.50 -0.55 0.00 0.00 0.00 175.10 174.48 1s78 s SER 112 N 1.94 -0.43 0.34 3.32 0.15 -0.94 -4.47 113.70 113.62 1s78 s SER 112 Ca 0.03 0.33 0.24 0.00 0.70 0.00 0.00 55.95 57.25 1s78 s SER 112 Cb -0.22 0.45 0.56 0.00 -1.71 0.00 0.00 66.02 65.09 1s78 s SER 112 CO 0.01 -0.59 1.69 0.28 1.20 0.00 0.00 173.24 175.82 1s78 h SER 113 N 3.21 0.00 -2.31 5.45 0.02 -1.97 -3.38 113.55 114.58 1s78 h SER 113 Ca -0.29 0.00 -0.57 0.00 -0.84 0.00 0.00 61.79 60.09 1s78 h SER 113 Cb 1.17 0.00 0.05 0.00 0.14 0.00 0.00 62.40 63.76 1s78 h SER 113 CO 0.40 0.00 0.94 0.00 -1.14 0.00 0.00 176.83 177.04 1s78 n ALA 114 N -1.96 1.59 -1.76 3.77 0.00 -1.26 -4.95 120.51 115.93 1s78 n ALA 114 Ca 0.05 0.38 -0.40 0.00 0.00 0.00 0.00 53.44 53.47 1s78 n ALA 114 Cb 0.48 -2.45 -0.04 0.00 0.00 0.00 0.00 19.45 17.44 1s78 n ALA 114 CO 0.00 0.00 0.00 -1.12 0.00 0.00 0.00 177.50 176.38 1s78 s SER 115 N 1.93 7.21 -0.28 0.00 0.01 -1.26 -4.94 113.70 116.36 1s78 s SER 115 Ca 0.82 2.30 -0.36 0.00 1.31 0.00 0.00 55.95 60.02 1s78 s SER 115 Cb -0.62 -2.63 -0.12 0.00 0.21 0.00 0.00 66.02 62.86 1s78 s SER 115 CO 0.40 -0.19 2.03 0.41 0.41 0.00 0.00 173.24 176.30 1s78 n THR 116 N 1.11 0.29 -4.18 1.44 -1.04 -1.26 -4.90 114.28 105.73 1s78 n THR 116 Ca -0.01 -0.18 -0.22 0.00 -2.04 0.00 0.00 64.05 61.59 1s78 n THR 116 Cb 0.45 -1.60 -0.17 0.00 -1.82 0.00 0.00 70.33 67.19 1s78 n THR 116 CO 0.00 0.00 0.00 -0.75 -0.64 0.00 0.00 175.07 173.68 1s78 s LYS 117 N 5.22 1.12 0.41 -2.82 2.20 -1.24 -5.01 119.74 119.63 1s78 s LYS 117 Ca 1.04 -0.18 -0.25 0.00 -0.36 0.00 0.00 55.97 56.22 1s78 s LYS 117 Cb -0.87 -1.11 -0.08 0.00 -1.51 0.00 0.00 37.83 34.26 1s78 s LYS 117 CO 0.53 -0.11 1.19 0.20 -0.36 0.00 0.00 175.35 176.81 1s78 s GLY 118 N 1.09 2.86 0.31 5.54 0.00 -1.26 -1.22 107.32 114.64 1s78 s GLY 118 Ca -0.08 1.01 -0.29 0.00 0.00 0.00 0.00 44.72 45.36 1s78 s GLY 118 CO -0.01 1.53 1.36 2.56 0.00 0.00 0.00 173.10 178.53 1s78 s PRO 119 N -2.35 4.31 -0.31 2.90 0.04 -1.26 -4.57 135.00 133.75 1s78 s PRO 119 Ca 0.58 2.26 -0.10 0.00 0.04 0.00 0.00 61.00 63.78 1s78 s PRO 119 Cb -0.32 -3.08 -0.01 0.00 0.04 0.00 0.00 34.50 31.14 1s78 s PRO 119 CO 0.40 -0.28 0.16 -1.12 0.04 0.00 0.00 177.00 176.20 1s78 s SER 120 N -0.20 5.57 -0.21 6.66 0.01 -0.92 -4.94 113.70 119.68 1s78 s SER 120 Ca 0.52 -0.53 -0.21 0.00 1.31 0.00 0.00 55.95 57.04 1s78 s SER 120 Cb -0.41 -2.01 -0.02 0.00 0.21 0.00 0.00 66.02 63.79 1s78 s SER 120 CO 0.51 -0.20 0.65 -0.69 0.41 0.00 0.00 173.24 173.92 1s78 s VAL 121 N 1.62 5.00 -0.17 3.43 1.01 -1.26 -2.64 120.40 127.38 1s78 s VAL 121 Ca 0.05 1.22 0.01 0.00 0.00 0.00 0.00 61.98 63.26 1s78 s VAL 121 Cb -0.17 -3.96 0.02 0.00 0.00 0.00 0.00 36.38 32.27 1s78 s VAL 121 CO 0.06 0.08 -0.17 -0.36 0.00 0.00 0.00 175.10 174.72 1s78 s PHE 122 N 2.06 2.52 0.53 5.22 0.08 -0.20 -4.96 117.98 123.22 1s78 s PHE 122 Ca 0.29 -1.49 -0.21 0.00 0.12 0.00 0.00 56.93 55.64 1s78 s PHE 122 Cb -0.16 -1.77 -0.05 0.00 -0.57 0.00 0.00 43.02 40.47 1s78 s PHE 122 CO 0.10 -0.75 1.25 -1.25 -0.10 0.00 0.00 175.22 174.47 1s78 s PRO 123 N 1.37 3.30 -0.68 0.24 0.04 -1.26 -1.43 135.00 136.59 1s78 s PRO 123 Ca 0.04 1.96 -0.08 0.00 0.04 0.00 0.00 61.00 62.97 1s78 s PRO 123 Cb -0.13 -2.21 0.18 0.00 0.04 0.00 0.00 34.50 32.37 1s78 s PRO 123 CO -0.12 -0.98 0.55 -0.51 0.04 0.00 0.00 177.00 175.99 1s78 s LEU 124 N -3.51 5.87 0.03 -3.56 1.43 0.80 -4.85 118.68 114.89 1s78 s LEU 124 Ca 0.71 -2.66 -0.29 0.00 -1.03 0.00 0.00 54.13 50.85 1s78 s LEU 124 Cb -0.34 -2.01 -0.04 0.00 0.03 0.00 0.00 46.19 43.84 1s78 s LEU 124 CO 0.39 -0.49 0.95 0.00 0.23 0.00 0.00 176.35 177.42 1s78 s ALA 125 N 0.22 3.20 0.65 4.21 0.00 -1.26 -3.20 121.76 125.58 1s78 s ALA 125 Ca 0.16 0.51 -0.17 0.00 0.00 0.00 0.00 51.96 52.46 1s78 s ALA 125 Cb -0.17 -3.28 -0.01 0.00 0.00 0.00 0.00 23.12 19.66 1s78 s ALA 125 CO -0.05 -0.15 1.18 -1.25 0.00 0.00 0.00 175.76 175.49 1s78 s PRO 126 N 0.67 2.70 0.69 0.00 0.04 -1.26 -4.83 135.00 133.01 1s78 s PRO 126 Ca 0.49 1.70 -0.06 0.00 0.04 0.00 0.00 61.00 63.17 1s78 s PRO 126 Cb -0.21 -1.91 0.15 0.00 0.04 0.00 0.00 34.50 32.57 1s78 s PRO 126 CO 0.28 -1.39 0.94 0.43 0.04 0.00 0.00 177.00 177.29 1s78 n SER 127 N -2.11 0.65 0.08 6.66 7.64 -1.26 -4.17 113.62 121.11 1s78 n SER 127 Ca 0.13 -1.69 -0.02 0.00 1.01 0.00 0.00 58.87 58.30 1s78 n SER 127 Cb 0.50 -0.66 -0.06 0.00 -1.01 0.00 0.00 64.21 62.98 1s78 n SER 127 CO 0.00 0.00 0.00 -1.28 -3.01 0.00 0.00 175.04 170.75 1s78 h SER 128 N -0.91 0.00 -1.19 6.43 0.87 -1.97 -3.33 113.55 113.46 1s78 h SER 128 Ca -0.31 0.00 -0.65 0.00 -1.23 0.00 0.00 61.79 59.60 1s78 h SER 128 Cb 0.98 0.00 -0.34 0.00 -0.44 0.00 0.00 62.40 62.61 1s78 h SER 128 CO 0.27 0.73 0.29 0.29 -0.53 0.00 0.00 176.83 177.88 1s78 n LYS 129 N -3.18 3.03 -0.98 2.24 5.02 -1.26 -4.73 118.16 118.29 1s78 n LYS 129 Ca -0.03 -3.70 -0.07 0.00 -2.02 0.00 0.00 58.31 52.49 1s78 n LYS 129 Cb 0.85 -2.28 0.28 0.00 -0.02 0.00 0.00 35.03 33.86 1s78 n LYS 129 CO 0.00 0.00 0.00 0.43 -0.52 0.00 0.00 177.40 177.31 1s78 n SER 130 N -0.74 4.40 -4.71 4.39 7.64 -1.25 -4.94 113.62 118.41 1s78 n SER 130 Ca 0.54 -3.31 -0.35 0.00 1.01 0.00 0.00 58.87 56.75 1s78 n SER 130 Cb 0.66 -0.73 -0.09 0.00 -1.01 0.00 0.00 64.21 63.04 1s78 n SER 130 CO 0.00 0.00 0.00 0.42 -3.01 0.00 0.00 175.04 172.45 1s78 s THR 131 N -3.05 4.89 -2.45 0.44 -4.23 -1.26 -4.14 115.64 105.84 1s78 s THR 131 Ca 0.53 -0.01 0.26 0.00 -1.18 0.00 0.00 61.69 61.29 1s78 s THR 131 Cb 0.43 -3.15 0.52 0.00 1.34 0.00 0.00 72.50 71.64 1s78 s THR 131 CO 0.11 0.53 1.68 -1.20 -0.54 0.00 0.00 174.62 175.20 1s78 n SER 132 N 2.82 1.60 0.00 3.99 7.64 -1.18 -4.74 113.62 123.75 1s78 n SER 132 Ca -0.18 -1.57 0.00 0.00 1.01 0.00 0.00 58.87 58.13 1s78 n SER 132 Cb 0.53 -0.03 0.00 0.00 -1.01 0.00 0.00 64.21 63.70 1s78 n SER 132 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1s78 n GLY 133 N 1.17 -0.88 0.00 0.23 0.00 -1.26 -4.91 105.19 99.55 1s78 n GLY 133 Ca 0.18 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.20 1s78 n GLY 133 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1s78 n GLY 134 N 0.00 0.00 2.94 -0.02 0.00 -1.26 -5.15 105.19 101.71 1s78 n GLY 134 Ca 0.00 0.00 -0.19 0.00 0.00 0.00 0.00 46.02 45.83 1s78 n GLY 134 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1s78 s THR 135 N 0.00 0.56 0.43 2.61 2.01 -1.26 -2.76 115.64 117.23 1s78 s THR 135 Ca 0.00 -0.22 0.03 0.00 0.31 0.00 0.00 61.69 61.81 1s78 s THR 135 Cb 0.00 -0.53 -0.03 0.00 0.01 0.00 0.00 72.50 71.95 1s78 s THR 135 CO 0.00 0.20 0.06 0.00 -0.69 0.00 0.00 174.62 174.18 1s78 s ALA 136 N 0.38 3.27 0.01 7.40 0.00 -1.18 -3.10 121.76 128.54 1s78 s ALA 136 Ca -0.05 -1.23 -0.09 0.00 0.00 0.00 0.00 51.96 50.59 1s78 s ALA 136 Cb -0.09 0.40 0.00 0.00 0.00 0.00 0.00 23.12 23.44 1s78 s ALA 136 CO 0.00 -0.19 0.18 0.00 0.00 0.00 0.00 175.76 175.75 1s78 s ALA 137 N -3.04 -0.38 0.00 0.00 0.00 -1.26 -2.57 121.76 114.51 1s78 s ALA 137 Ca 0.21 -0.15 0.00 0.00 0.00 0.00 0.00 51.96 52.03 1s78 s ALA 137 Cb 0.04 0.17 0.00 0.00 0.00 0.00 0.00 23.12 23.33 1s78 s ALA 137 CO 0.11 -0.27 0.00 1.47 0.00 0.00 0.00 175.76 177.07 1s78 n LEU 138 N 1.13 0.00 0.00 0.00 -0.00 -0.92 -4.31 117.00 112.90 1s78 n LEU 138 Ca -0.21 0.00 0.00 0.00 -0.00 0.00 0.00 56.01 55.80 1s78 n LEU 138 Cb 0.57 0.00 0.00 0.00 -0.00 0.00 0.00 43.42 43.99 1s78 n LEU 138 CO 0.22 0.00 0.00 0.61 -0.00 0.00 0.00 177.39 178.22 1s78 n GLY 139 N 0.00 -0.28 3.21 1.47 0.00 -1.19 -1.25 105.19 107.15 1s78 n GLY 139 Ca 0.00 -1.51 -0.29 0.00 0.00 0.00 0.00 46.02 44.22 1s78 n GLY 139 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1s78 s LEU 141 N -0.11 3.24 -0.56 0.00 0.05 -0.51 -1.65 118.68 119.14 1s78 s LEU 141 Ca -0.03 -0.17 -0.06 0.00 0.05 0.00 0.00 54.13 53.92 1s78 s LEU 141 Cb -0.13 -1.80 0.15 0.00 -2.05 0.00 0.00 46.19 42.36 1s78 s LEU 141 CO 0.03 0.12 0.41 0.68 -0.55 0.00 0.00 176.35 177.04 1s78 s VAL 142 N 0.63 4.06 0.26 1.48 -7.23 -1.24 -1.04 120.40 117.32 1s78 s VAL 142 Ca -0.02 -2.33 -0.02 0.00 -1.81 0.00 0.00 61.98 57.80 1s78 s VAL 142 Cb -0.14 -3.65 -0.04 0.00 0.56 0.00 0.00 36.38 33.10 1s78 s VAL 142 CO 0.02 -0.83 0.48 -0.75 -0.31 0.00 0.00 175.10 173.72 1s78 s LYS 143 N 0.68 3.56 -1.31 4.82 2.20 -1.08 -2.89 119.74 125.72 1s78 s LYS 143 Ca 0.12 -0.20 -0.02 0.00 -0.36 0.00 0.00 55.97 55.51 1s78 s LYS 143 Cb -0.21 -2.73 -0.00 0.00 -1.51 0.00 0.00 37.83 33.37 1s78 s LYS 143 CO -0.03 0.28 0.64 -0.25 -0.36 0.00 0.00 175.35 175.63 1s78 n ASP 144 N -0.96 -1.46 -4.79 1.43 8.00 0.55 -2.16 116.55 117.16 1s78 n ASP 144 Ca -0.03 -0.88 -0.23 0.00 0.71 0.00 0.00 54.79 54.35 1s78 n ASP 144 Cb 0.54 -3.77 -0.06 0.00 -0.02 0.00 0.00 41.12 37.82 1s78 n ASP 144 CO 0.00 0.00 0.00 -0.72 -0.39 0.00 0.00 177.20 176.09 1s78 s TYR 145 N -3.72 2.68 -0.28 1.24 1.13 -0.62 -4.34 117.35 113.43 1s78 s TYR 145 Ca 0.06 -0.50 -0.23 0.00 -1.41 0.00 0.00 57.07 54.99 1s78 s TYR 145 Cb -0.02 -1.95 0.12 0.00 -1.10 0.00 0.00 41.96 39.01 1s78 s TYR 145 CO 0.83 0.12 0.99 0.12 -2.51 0.00 0.00 175.55 175.11 1s78 s PHE 146 N -2.51 -0.54 0.00 -3.49 2.19 -0.36 -0.06 117.98 113.22 1s78 s PHE 146 Ca 0.43 1.23 0.00 0.00 0.33 0.00 0.00 56.93 58.91 1s78 s PHE 146 Cb -0.00 0.37 0.00 0.00 -1.31 0.00 0.00 43.02 42.08 1s78 s PHE 146 CO 0.24 -0.26 0.00 -0.35 1.83 0.00 0.00 175.22 176.68 1s78 n PRO 147 N 2.67 3.84 -2.59 10.12 -0.04 -1.26 -3.59 135.00 144.15 1s78 n PRO 147 Ca -0.14 0.00 -0.37 0.00 -0.04 0.00 0.00 63.50 62.95 1s78 n PRO 147 Cb 0.56 0.00 -0.05 0.00 -0.04 0.00 0.00 33.50 33.98 1s78 n PRO 147 CO 0.00 0.00 0.00 -1.21 -0.04 0.00 0.00 175.50 174.25 1s78 s GLU 148 N 4.09 4.34 0.00 0.54 0.41 -1.26 -4.58 118.70 122.24 1s78 s GLU 148 Ca 0.00 1.52 0.00 0.00 -0.41 0.00 0.00 54.97 56.08 1s78 s GLU 148 Cb 0.00 -2.71 0.00 0.00 -1.78 0.00 0.00 34.13 29.64 1s78 s GLU 148 CO 0.00 0.01 0.00 -0.35 -0.49 0.00 0.00 175.26 174.43 1s78 n PRO 149 N 0.28 1.85 -4.85 0.39 -0.04 -1.26 -5.03 135.00 126.34 1s78 n PRO 149 Ca 0.03 0.00 -0.29 0.00 -0.04 0.00 0.00 63.50 63.20 1s78 n PRO 149 Cb 0.49 0.00 -0.17 0.00 -0.04 0.00 0.00 33.50 33.78 1s78 n PRO 149 CO 0.00 0.00 0.00 0.14 -0.04 0.00 0.00 175.50 175.60 1s78 s VAL 150 N -0.05 1.68 -0.43 0.52 -7.23 -1.26 -4.45 120.40 109.17 1s78 s VAL 150 Ca 0.00 -0.78 -0.23 0.00 -1.81 0.00 0.00 61.98 59.16 1s78 s VAL 150 Cb 0.00 -1.48 0.02 0.00 0.56 0.00 0.00 36.38 35.48 1s78 s VAL 150 CO 0.00 0.47 0.78 0.42 -0.31 0.00 0.00 175.10 176.46 1s78 s THR 151 N 0.59 4.68 -0.13 5.32 -4.23 -1.02 -4.94 115.64 115.91 1s78 s THR 151 Ca -0.15 0.51 -0.09 0.00 -1.18 0.00 0.00 61.69 60.78 1s78 s THR 151 Cb -0.17 -4.29 -0.05 0.00 1.34 0.00 0.00 72.50 69.34 1s78 s THR 151 CO 0.05 -0.65 0.19 0.54 -0.54 0.00 0.00 174.62 174.20 1s78 s VAL 152 N 3.23 5.40 0.32 2.29 0.11 -1.26 -2.40 120.40 128.10 1s78 s VAL 152 Ca 0.30 0.32 0.03 0.00 -2.93 0.00 0.00 61.98 59.70 1s78 s VAL 152 Cb -0.12 -3.48 -0.04 0.00 -1.53 0.00 0.00 36.38 31.21 1s78 s VAL 152 CO 0.21 0.55 0.15 -0.44 -3.33 0.00 0.00 175.10 172.25 1s78 s SER 153 N -0.54 1.79 -0.02 3.54 0.01 -1.02 -4.99 113.70 112.47 1s78 s SER 153 Ca 0.15 -1.58 0.03 0.00 1.31 0.00 0.00 55.95 55.86 1s78 s SER 153 Cb -0.12 0.39 -0.00 0.00 0.21 0.00 0.00 66.02 66.49 1s78 s SER 153 CO 0.04 -0.89 -0.10 0.26 0.41 0.00 0.00 173.24 172.96 1s78 s TRP 154 N -3.52 0.96 -1.27 2.43 0.52 -1.26 -0.75 118.94 116.05 1s78 s TRP 154 Ca 0.34 -0.22 -0.11 0.00 0.02 0.00 0.00 56.10 56.13 1s78 s TRP 154 Cb 0.05 -0.66 -0.00 0.00 -1.15 0.00 0.00 33.47 31.70 1s78 s TRP 154 CO 0.17 -0.07 0.63 0.09 0.02 0.00 0.00 176.95 177.79 1s78 n ASN 155 N 3.12 -2.82 0.00 2.95 3.02 0.20 -2.81 115.26 118.93 1s78 n ASN 155 Ca -0.17 -1.00 0.00 0.00 -0.03 0.00 0.00 54.58 53.38 1s78 n ASN 155 Cb 0.55 -3.27 0.00 0.00 -0.61 0.00 0.00 39.78 36.45 1s78 n ASN 155 CO 0.00 0.00 0.00 -0.24 -2.62 0.00 0.00 177.26 174.40 1s78 n SER 156 N -2.83 0.00 0.00 6.41 2.88 -1.26 -2.90 113.62 115.92 1s78 n SER 156 Ca -0.20 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.34 1s78 n SER 156 Cb 0.64 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 64.10 1s78 n SER 156 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1s78 n GLY 157 N 0.00 0.00 0.04 0.46 0.00 -1.12 -5.03 105.19 99.53 1s78 n GLY 157 Ca 0.00 0.00 0.13 0.00 0.00 0.00 0.00 46.02 46.15 1s78 n GLY 157 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1s78 n ALA 158 N 0.00 3.11 -3.30 4.61 0.00 -1.14 -4.71 120.51 119.08 1s78 n ALA 158 Ca 0.00 -0.29 -0.37 0.00 0.00 0.00 0.00 53.44 52.78 1s78 n ALA 158 Cb 0.00 -1.23 -0.13 0.00 0.00 0.00 0.00 19.45 18.09 1s78 n ALA 158 CO 0.00 0.00 0.00 -1.17 0.00 0.00 0.00 177.50 176.33 1s78 s LEU 159 N -2.87 3.98 0.00 0.00 2.96 -1.20 -4.85 118.68 116.69 1s78 s LEU 159 Ca 0.16 -0.95 0.00 0.00 -0.22 0.00 0.00 54.13 53.11 1s78 s LEU 159 Cb 0.18 -1.84 0.00 0.00 0.50 0.00 0.00 46.19 45.04 1s78 s LEU 159 CO 0.61 -0.25 0.00 0.35 -1.32 0.00 0.00 176.35 175.74 1s78 n THR 160 N 4.80 0.00 -2.00 3.68 -2.24 -1.26 -4.21 114.28 113.05 1s78 n THR 160 Ca -0.14 0.00 -0.43 0.00 -2.27 0.00 0.00 64.05 61.22 1s78 n THR 160 Cb 0.46 0.21 -0.03 0.00 -2.10 0.00 0.00 70.33 68.87 1s78 n THR 160 CO 0.00 0.00 0.00 -0.55 -0.57 0.00 0.00 175.07 173.95 1s78 s SER 161 N -0.96 5.86 0.00 3.42 0.15 -1.26 -2.48 113.70 118.42 1s78 s SER 161 Ca 0.00 1.27 0.00 0.00 0.70 0.00 0.00 55.95 57.92 1s78 s SER 161 Cb 0.00 -2.53 0.00 0.00 -1.71 0.00 0.00 66.02 61.78 1s78 s SER 161 CO 0.00 -1.74 0.00 0.61 1.20 0.00 0.00 173.24 173.31 1s78 n GLY 162 N 5.43 0.79 3.73 9.45 0.00 -1.26 -4.81 105.19 118.52 1s78 n GLY 162 Ca 0.23 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.84 1s78 n GLY 162 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1s78 s VAL 163 N -2.12 4.19 -0.42 1.61 1.01 -1.04 -2.75 120.40 120.89 1s78 s VAL 163 Ca 0.00 1.78 0.02 0.00 0.00 0.00 0.00 61.98 63.78 1s78 s VAL 163 Cb 0.00 -4.14 0.14 0.00 0.00 0.00 0.00 36.38 32.38 1s78 s VAL 163 CO 0.00 0.25 0.24 -1.00 0.00 0.00 0.00 175.10 174.60 1s78 s HIS 164 N 0.16 1.70 -0.78 5.22 3.76 0.38 -5.00 115.29 120.72 1s78 s HIS 164 Ca 0.50 -2.26 -0.26 0.00 -0.15 0.00 0.00 55.06 52.89 1s78 s HIS 164 Cb -0.27 -1.65 0.03 0.00 1.11 0.00 0.00 32.58 31.80 1s78 s HIS 164 CO 0.32 -0.79 1.40 0.99 -0.85 0.00 0.00 174.74 175.81 1s78 s THR 165 N 0.46 3.70 0.10 1.30 2.01 -1.26 -1.48 115.64 120.47 1s78 s THR 165 Ca 0.18 0.16 -0.31 0.00 0.31 0.00 0.00 61.69 62.03 1s78 s THR 165 Cb -0.22 -4.80 -0.09 0.00 0.01 0.00 0.00 72.50 67.40 1s78 s THR 165 CO -0.01 -1.73 1.61 -0.36 -0.69 0.00 0.00 174.62 173.44 1s78 s PHE 166 N 6.13 2.67 0.32 4.92 2.99 -1.22 -4.94 117.98 128.85 1s78 s PHE 166 Ca 0.42 0.45 -0.29 0.00 0.00 0.00 0.00 56.93 57.50 1s78 s PHE 166 Cb -0.07 -3.94 -0.12 0.00 0.00 0.00 0.00 43.02 38.90 1s78 s PHE 166 CO 0.11 -3.65 1.52 -0.35 -0.00 0.00 0.00 175.22 172.85 1s78 n PRO 167 N 5.00 2.60 -1.25 0.24 -0.04 -1.26 -4.45 135.00 135.84 1s78 n PRO 167 Ca 0.15 0.92 -0.30 0.00 -0.04 0.00 0.00 63.50 64.22 1s78 n PRO 167 Cb 0.40 -2.66 0.11 0.00 -0.04 0.00 0.00 33.50 31.31 1s78 n PRO 167 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1s78 s ALA 168 N -0.46 1.94 -0.04 0.55 0.00 -1.26 -4.91 121.76 117.58 1s78 s ALA 168 Ca 0.60 0.10 0.02 0.00 0.00 0.00 0.00 51.96 52.68 1s78 s ALA 168 Cb -0.51 -3.23 0.01 0.00 0.00 0.00 0.00 23.12 19.40 1s78 s ALA 168 CO 0.55 -2.03 -0.09 0.14 0.00 0.00 0.00 175.76 174.33 1s78 s VAL 169 N -2.93 0.81 -0.11 0.00 -7.23 -1.05 -5.00 120.40 104.90 1s78 s VAL 169 Ca 0.62 -0.33 -0.30 0.00 -1.81 0.00 0.00 61.98 60.16 1s78 s VAL 169 Cb -0.17 -0.76 -0.03 0.00 0.56 0.00 0.00 36.38 35.98 1s78 s VAL 169 CO 0.56 0.27 1.37 -0.22 -0.31 0.00 0.00 175.10 176.77 1s78 s LEU 170 N 0.50 4.24 0.87 1.32 2.96 -1.26 -3.43 118.68 123.88 1s78 s LEU 170 Ca -0.09 1.88 -0.12 0.00 -0.22 0.00 0.00 54.13 55.59 1s78 s LEU 170 Cb -0.12 -3.54 0.11 0.00 0.50 0.00 0.00 46.19 43.14 1s78 s LEU 170 CO 0.01 -0.78 1.13 -1.10 -1.32 0.00 0.00 176.35 174.29 1s78 s GLN 171 N 3.40 1.50 0.47 1.98 -0.21 -0.18 -4.91 119.66 121.72 1s78 s GLN 171 Ca 0.60 0.35 0.13 0.00 0.02 0.00 0.00 55.36 56.46 1s78 s GLN 171 Cb -0.26 -1.88 1.08 0.00 1.00 0.00 0.00 33.01 32.96 1s78 s GLN 171 CO 0.20 -1.96 2.08 0.66 -2.12 0.00 0.00 175.29 174.15 1s78 h SER 172 N -1.33 0.24 0.02 5.90 4.64 -1.95 -0.27 113.55 120.80 1s78 h SER 172 Ca -0.49 -0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.83 1s78 h SER 172 Cb 1.32 -0.06 0.00 0.00 -0.31 0.00 0.00 62.40 63.35 1s78 h SER 172 CO 0.62 0.17 0.00 -1.54 -0.87 0.00 0.00 176.83 175.20 1s78 n SER 173 N -4.49 0.56 0.00 4.97 3.41 -1.26 -4.81 113.62 112.00 1s78 n SER 173 Ca 0.02 0.76 0.00 0.00 -0.26 0.00 0.00 58.87 59.39 1s78 n SER 173 Cb 0.14 -0.83 0.00 0.00 -0.26 0.00 0.00 64.21 63.26 1s78 n SER 173 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1s78 n GLY 174 N -1.26 0.61 3.86 5.00 0.00 -0.11 -4.99 105.19 108.29 1s78 n GLY 174 Ca -0.01 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.79 1s78 n GLY 174 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1s78 s LEU 175 N 0.00 3.72 0.00 0.99 1.43 -1.26 -4.85 118.68 118.72 1s78 s LEU 175 Ca 0.00 -0.37 -0.01 0.00 -1.03 0.00 0.00 54.13 52.72 1s78 s LEU 175 Cb 0.00 -2.32 -0.04 0.00 0.03 0.00 0.00 46.19 43.86 1s78 s LEU 175 CO 0.00 -0.25 0.14 -0.31 0.23 0.00 0.00 176.35 176.16 1s78 s TYR 176 N -2.23 3.43 -0.06 0.29 2.02 0.91 -1.01 117.35 120.70 1s78 s TYR 176 Ca 0.38 0.27 -0.08 0.00 -0.37 0.00 0.00 57.07 57.28 1s78 s TYR 176 Cb -0.07 -1.78 0.02 0.00 -0.40 0.00 0.00 41.96 39.73 1s78 s TYR 176 CO 0.26 0.60 0.21 0.45 -1.57 0.00 0.00 175.55 175.50 1s78 s SER 177 N -1.94 -0.18 0.07 2.29 0.15 -1.22 -0.33 113.70 112.54 1s78 s SER 177 Ca 0.26 0.30 0.00 0.00 0.70 0.00 0.00 55.95 57.21 1s78 s SER 177 Cb -0.12 0.39 -0.00 0.00 -1.71 0.00 0.00 66.02 64.57 1s78 s SER 177 CO 0.18 -0.15 0.08 0.00 1.20 0.00 0.00 173.24 174.55 1s78 n LEU 178 N 2.60 0.00 -3.29 3.45 -0.00 -1.14 -2.51 117.00 116.10 1s78 n LEU 178 Ca -0.15 -0.59 -0.05 0.00 -0.00 0.00 0.00 56.01 55.23 1s78 n LEU 178 Cb 0.58 0.43 -0.06 0.00 -0.00 0.00 0.00 43.42 44.37 1s78 n LEU 178 CO 0.20 -0.12 0.01 -0.44 -0.00 0.00 0.00 177.39 177.04 1s78 s SER 179 N -1.44 -0.28 -0.31 1.45 0.01 -1.26 -3.69 113.70 108.18 1s78 s SER 179 Ca 0.07 0.44 -0.20 0.00 1.31 0.00 0.00 55.95 57.57 1s78 s SER 179 Cb 0.00 1.45 -0.01 0.00 0.21 0.00 0.00 66.02 67.67 1s78 s SER 179 CO 0.05 -0.29 0.60 -0.55 0.41 0.00 0.00 173.24 173.46 1s78 s SER 180 N 2.65 6.45 0.07 2.44 0.15 -0.66 -3.40 113.70 121.41 1s78 s SER 180 Ca 0.15 0.34 0.09 0.00 0.70 0.00 0.00 55.95 57.24 1s78 s SER 180 Cb -0.15 -2.31 -0.03 0.00 -1.71 0.00 0.00 66.02 61.81 1s78 s SER 180 CO -0.17 -0.47 -0.24 0.68 1.20 0.00 0.00 173.24 174.24 1s78 s VAL 181 N 2.55 2.38 -0.03 4.45 -7.23 -0.55 -2.32 120.40 119.66 1s78 s VAL 181 Ca 0.24 -1.44 0.03 0.00 -1.81 0.00 0.00 61.98 58.99 1s78 s VAL 181 Cb -0.15 -1.99 0.00 0.00 0.56 0.00 0.00 36.38 34.80 1s78 s VAL 181 CO 0.12 0.27 -0.11 0.54 -0.31 0.00 0.00 175.10 175.61 1s78 s VAL 182 N -0.92 0.90 -0.36 1.32 0.11 -0.38 -0.47 120.40 120.59 1s78 s VAL 182 Ca 0.13 -0.43 -0.14 0.00 -2.93 0.00 0.00 61.98 58.62 1s78 s VAL 182 Cb -0.10 -0.78 -0.01 0.00 -1.53 0.00 0.00 36.38 33.96 1s78 s VAL 182 CO 0.04 0.27 0.27 0.42 -3.33 0.00 0.00 175.10 172.77 1s78 s THR 183 N 0.10 5.27 0.05 5.04 -4.23 -1.11 -2.16 115.64 118.60 1s78 s THR 183 Ca -0.02 -0.31 0.05 0.00 -1.18 0.00 0.00 61.69 60.23 1s78 s THR 183 Cb -0.08 -3.78 -0.02 0.00 1.34 0.00 0.00 72.50 69.95 1s78 s THR 183 CO 0.01 -0.10 -0.14 0.68 -0.54 0.00 0.00 174.62 174.53 1s78 s VAL 184 N 1.74 1.10 0.22 2.29 -7.23 -1.06 -4.71 120.40 112.75 1s78 s VAL 184 Ca 0.06 -1.09 -0.30 0.00 -1.81 0.00 0.00 61.98 58.84 1s78 s VAL 184 Cb -0.18 -1.02 -0.15 0.00 0.56 0.00 0.00 36.38 35.59 1s78 s VAL 184 CO 0.11 -0.07 0.97 -2.65 -0.31 0.00 0.00 175.10 173.14 1s78 n PRO 185 N 1.70 0.96 0.05 4.82 -0.02 -1.26 -3.13 135.00 138.13 1s78 n PRO 185 Ca -0.19 0.34 0.13 0.00 -2.02 0.00 0.00 63.50 61.76 1s78 n PRO 185 Cb 0.55 -1.69 0.45 0.00 -0.02 0.00 0.00 33.50 32.78 1s78 n PRO 185 CO 0.00 0.00 0.00 0.45 1.98 0.00 0.00 175.50 177.93 1s78 n SER 186 N 1.67 0.46 0.00 2.55 2.88 -1.11 -3.80 113.62 116.27 1s78 n SER 186 Ca 0.14 0.42 0.10 0.00 -1.33 0.00 0.00 58.87 58.20 1s78 n SER 186 Cb 0.27 -0.48 0.53 0.00 -0.75 0.00 0.00 64.21 63.78 1s78 n SER 186 CO 0.00 0.00 0.00 -1.54 -1.23 0.00 0.00 175.04 172.27 1s78 n SER 187 N -1.89 0.00 -3.34 -3.46 3.41 -1.26 -4.25 113.62 102.83 1s78 n SER 187 Ca 0.06 -0.15 -0.16 0.00 -0.26 0.00 0.00 58.87 58.36 1s78 n SER 187 Cb 0.39 -0.22 -0.07 0.00 -0.26 0.00 0.00 64.21 64.05 1s78 n SER 187 CO 0.00 0.00 0.00 -0.94 -0.16 0.00 0.00 175.04 173.94 1s78 s SER 188 N -2.44 0.97 -0.12 4.04 1.04 -1.25 -4.99 113.70 110.96 1s78 s SER 188 Ca 0.22 -1.63 0.02 0.00 0.48 0.00 0.00 55.95 55.04 1s78 s SER 188 Cb 0.14 0.62 -0.09 0.00 0.10 0.00 0.00 66.02 66.79 1s78 s SER 188 CO 0.29 -0.24 -0.10 0.18 0.98 0.00 0.00 173.24 174.35 1s78 n LEU 189 N 4.14 2.69 -2.77 2.42 4.77 -1.26 -4.68 117.00 122.31 1s78 n LEU 189 Ca 0.12 -0.06 -0.36 0.00 -0.03 0.00 0.00 56.01 55.68 1s78 n LEU 189 Cb 0.46 -0.38 0.02 0.00 -2.33 0.00 0.00 43.42 41.19 1s78 n LEU 189 CO 0.08 0.67 1.55 0.61 -1.33 0.00 0.00 177.39 178.97 1s78 n GLY 190 N 2.84 5.26 2.00 -0.72 0.00 -1.26 -4.35 105.19 108.96 1s78 n GLY 190 Ca -0.22 -2.32 0.00 0.00 0.00 0.00 0.00 46.02 43.48 1s78 n GLY 190 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 1s78 n THR 191 N -0.24 0.00 -3.06 2.61 -1.04 -1.26 -5.09 114.28 106.20 1s78 n THR 191 Ca 0.53 0.00 -0.41 0.00 -2.04 0.00 0.00 64.05 62.13 1s78 n THR 191 Cb 0.33 -0.36 -0.06 0.00 -1.82 0.00 0.00 70.33 68.43 1s78 n THR 191 CO 0.00 0.00 0.00 -1.58 -0.64 0.00 0.00 175.07 172.85 1s78 s GLN 192 N -2.00 4.11 -0.48 -2.82 2.00 -1.26 -5.02 119.66 114.19 1s78 s GLN 192 Ca 0.00 0.61 -0.29 0.00 -2.00 0.00 0.00 55.36 53.69 1s78 s GLN 192 Cb 0.00 -3.66 0.02 0.00 0.80 0.00 0.00 33.01 30.17 1s78 s GLN 192 CO 0.00 -0.45 1.32 0.95 -0.50 0.00 0.00 175.29 176.61 1s78 s THR 193 N 2.59 3.96 -0.44 -0.34 -4.23 -1.26 -4.98 115.64 110.94 1s78 s THR 193 Ca 0.28 0.93 -0.21 0.00 -1.18 0.00 0.00 61.69 61.51 1s78 s THR 193 Cb -0.15 -4.41 0.02 0.00 1.34 0.00 0.00 72.50 69.30 1s78 s THR 193 CO 0.08 -0.98 0.68 -0.31 -0.54 0.00 0.00 174.62 173.55 1s78 s TYR 194 N 5.30 3.05 -0.09 3.99 2.02 -1.26 -4.97 117.35 125.40 1s78 s TYR 194 Ca 0.54 -0.00 0.03 0.00 -0.37 0.00 0.00 57.07 57.27 1s78 s TYR 194 Cb -0.11 -3.42 -0.02 0.00 -0.40 0.00 0.00 41.96 38.01 1s78 s TYR 194 CO 0.30 -0.90 -0.18 0.42 -1.57 0.00 0.00 175.55 173.63 1s78 s ILE 195 N 2.93 2.70 -0.13 2.71 1.09 -1.26 -1.76 121.20 127.48 1s78 s ILE 195 Ca 0.24 -0.82 -0.07 0.00 -1.10 0.00 0.00 60.65 58.91 1s78 s ILE 195 Cb -0.14 -2.07 -0.04 0.00 -1.06 0.00 0.00 42.46 39.16 1s78 s ILE 195 CO 0.20 0.56 0.12 0.00 -0.10 0.00 0.00 174.94 175.72 1s78 s ASN 197 N -0.81 5.97 0.04 0.00 -0.87 0.07 -3.62 114.94 115.73 1s78 s ASN 197 Ca 0.14 -2.36 -0.24 0.00 -1.57 0.00 0.00 52.86 48.82 1s78 s ASN 197 Cb -0.12 -2.06 -0.06 0.00 -0.02 0.00 0.00 41.25 39.00 1s78 s ASN 197 CO 0.03 -0.60 0.72 -0.69 -2.57 0.00 0.00 177.10 173.99 1s78 s VAL 198 N 0.68 4.75 -0.31 1.60 1.01 -1.26 -2.44 120.40 124.43 1s78 s VAL 198 Ca 0.12 1.54 -0.03 0.00 0.00 0.00 0.00 61.98 63.61 1s78 s VAL 198 Cb -0.20 -4.07 0.11 0.00 0.00 0.00 0.00 36.38 32.22 1s78 s VAL 198 CO -0.03 0.39 0.14 0.21 0.00 0.00 0.00 175.10 175.81 1s78 s ASN 199 N -0.18 3.53 -0.24 3.32 3.84 -1.01 -3.99 114.94 120.21 1s78 s ASN 199 Ca 0.36 -1.56 -0.13 0.00 0.21 0.00 0.00 52.86 51.74 1s78 s ASN 199 Cb -0.20 -0.47 -0.04 0.00 -0.55 0.00 0.00 41.25 39.98 1s78 s ASN 199 CO 0.22 -0.41 0.29 -2.28 -2.79 0.00 0.00 177.10 172.13 1s78 s HIS 200 N 1.77 3.31 -0.10 0.43 5.65 -1.19 -2.43 115.29 122.73 1s78 s HIS 200 Ca 0.11 0.38 -0.21 0.00 0.25 0.00 0.00 55.06 55.60 1s78 s HIS 200 Cb -0.18 -2.43 -0.18 0.00 -1.18 0.00 0.00 32.58 28.62 1s78 s HIS 200 CO -0.27 -0.05 0.65 0.87 -0.65 0.00 0.00 174.74 175.29 1s78 h LYS 201 N 7.70 -0.05 0.00 2.88 1.79 -1.89 -2.34 116.57 124.66 1s78 h LYS 201 Ca -0.36 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.12 1s78 h LYS 201 Cb 1.17 0.01 0.00 0.00 -1.58 0.00 0.00 32.23 31.83 1s78 h LYS 201 CO 0.66 0.57 0.00 -2.30 -1.08 0.00 0.00 179.45 177.31 1s78 n PRO 202 N -4.73 0.16 0.01 3.15 -0.02 -1.26 -3.06 135.00 129.24 1s78 n PRO 202 Ca -0.07 0.56 0.06 0.00 -2.02 0.00 0.00 63.50 62.03 1s78 n PRO 202 Cb 0.31 -1.93 -0.12 0.00 -0.02 0.00 0.00 33.50 31.75 1s78 n PRO 202 CO 0.00 0.00 0.00 0.45 1.98 0.00 0.00 175.50 177.93 1s78 n SER 203 N -2.25 0.33 -0.66 2.55 2.88 -1.23 -4.98 113.62 110.27 1s78 n SER 203 Ca -0.00 0.14 -0.09 0.00 -1.33 0.00 0.00 58.87 57.59 1s78 n SER 203 Cb 0.10 1.18 -0.04 0.00 -0.75 0.00 0.00 64.21 64.70 1s78 n SER 203 CO 0.00 0.00 0.00 0.59 -1.23 0.00 0.00 175.04 174.40 1s78 n ASN 204 N -2.54 -5.55 -4.88 -3.46 4.13 -0.88 -4.98 115.26 97.10 1s78 n ASN 204 Ca -0.09 0.21 -0.30 0.00 1.68 0.00 0.00 54.58 56.08 1s78 n ASN 204 Cb 0.71 -3.81 -0.04 0.00 -1.54 0.00 0.00 39.78 35.11 1s78 n ASN 204 CO 0.00 0.00 0.00 0.28 0.28 0.00 0.00 177.26 177.82 1s78 s THR 205 N -1.81 4.83 -0.41 3.41 -1.32 -1.22 -5.00 115.64 114.11 1s78 s THR 205 Ca 0.00 0.54 0.09 0.00 -1.21 0.00 0.00 61.69 61.10 1s78 s THR 205 Cb 0.00 -3.71 0.32 0.00 -1.51 0.00 0.00 72.50 67.60 1s78 s THR 205 CO 0.00 -0.41 0.87 0.29 -2.21 0.00 0.00 174.62 173.16 1s78 n LYS 206 N -1.04 0.95 -2.51 7.08 5.02 -1.26 -3.19 118.16 123.21 1s78 n LYS 206 Ca 0.02 -2.70 -0.41 0.00 -2.02 0.00 0.00 58.31 53.20 1s78 n LYS 206 Cb 0.54 -1.39 -0.03 0.00 -0.02 0.00 0.00 35.03 34.13 1s78 n LYS 206 CO 0.00 0.00 0.00 0.08 -0.52 0.00 0.00 177.40 176.96 1s78 s VAL 207 N -1.08 3.74 -0.07 -0.18 1.01 -1.26 -4.83 120.40 117.74 1s78 s VAL 207 Ca 0.32 0.48 -0.21 0.00 0.00 0.00 0.00 61.98 62.57 1s78 s VAL 207 Cb 0.30 -4.80 -0.04 0.00 0.00 0.00 0.00 36.38 31.84 1s78 s VAL 207 CO -0.08 -1.68 0.61 -1.81 0.00 0.00 0.00 175.10 172.13 1s78 s ASP 208 N 3.97 6.89 -0.08 3.32 1.01 -1.26 -4.18 116.67 126.34 1s78 s ASP 208 Ca 0.39 1.07 0.00 0.00 0.71 0.00 0.00 52.55 54.72 1s78 s ASP 208 Cb -0.08 -2.36 0.02 0.00 1.01 0.00 0.00 42.92 41.50 1s78 s ASP 208 CO 0.17 -0.04 -0.06 -0.75 0.21 0.00 0.00 175.17 174.70 1s78 s LYS 209 N 0.56 1.17 0.28 8.23 2.47 -1.24 -4.99 119.74 126.23 1s78 s LYS 209 Ca 0.33 -0.17 -0.29 0.00 -1.56 0.00 0.00 55.97 54.28 1s78 s LYS 209 Cb -0.17 -1.21 -0.10 0.00 -1.46 0.00 0.00 37.83 34.90 1s78 s LYS 209 CO 0.15 -0.16 1.10 0.15 0.16 0.00 0.00 175.35 176.75 1s78 s LYS 210 N 1.33 4.62 -0.43 4.03 1.02 -1.26 -3.01 119.74 126.04 1s78 s LYS 210 Ca -0.04 1.79 -0.02 0.00 0.02 0.00 0.00 55.97 57.73 1s78 s LYS 210 Cb -0.14 -3.16 0.12 0.00 -0.52 0.00 0.00 37.83 34.13 1s78 s LYS 210 CO -0.03 0.20 0.22 0.08 -0.92 0.00 0.00 175.35 174.90 1s78 s VAL 211 N -1.18 3.18 0.14 3.17 1.01 -0.72 -4.91 120.40 121.08 1s78 s VAL 211 Ca 0.45 -2.27 0.07 0.00 0.00 0.00 0.00 61.98 60.23 1s78 s VAL 211 Cb -0.32 -3.18 -0.04 0.00 0.00 0.00 0.00 36.38 32.84 1s78 s VAL 211 CO 0.40 -0.71 -0.05 -1.61 0.00 0.00 0.00 175.10 173.13 1s78 s GLU 212 N 0.89 2.27 0.70 2.72 2.02 -1.26 -4.66 118.70 121.38 1s78 s GLU 212 Ca 0.10 -1.06 -0.16 0.00 0.02 0.00 0.00 54.97 53.87 1s78 s GLU 212 Cb -0.22 -2.34 -0.04 0.00 0.10 0.00 0.00 34.13 31.63 1s78 s GLU 212 CO -0.04 0.49 0.54 -2.30 0.02 0.00 0.00 175.26 173.96 1s78 n PRO 213 N 0.32 0.34 -2.90 0.39 -0.02 -1.26 -4.74 135.00 127.13 1s78 n PRO 213 Ca -0.11 0.15 -0.28 0.00 -2.02 0.00 0.00 63.50 61.24 1s78 n PRO 213 Cb 0.54 -1.82 -0.02 0.00 -0.02 0.00 0.00 33.50 32.18 1s78 n PRO 213 CO 0.00 0.00 0.00 0.15 1.98 0.00 0.00 175.50 177.63 1s78 s LYS 214 N -2.68 3.63 -1.33 -0.52 -0.14 -1.26 -5.00 119.74 112.45 1s78 s LYS 214 Ca 0.66 0.21 -0.13 0.00 -1.36 0.00 0.00 55.97 55.35 1s78 s LYS 214 Cb -0.36 -2.45 0.11 0.00 -1.68 0.00 0.00 37.83 33.44 1s78 s LYS 214 CO 0.57 -0.04 1.87 0.45 -0.76 0.00 0.00 175.35 177.44 1s78 n SER 215 N -1.66 4.72 -0.08 2.83 2.88 -1.26 -5.05 113.62 115.99 1s78 n SER 215 Ca 0.00 -2.97 0.01 0.00 -1.33 0.00 0.00 58.87 54.59 1s78 n SER 215 Cb 0.55 -1.60 0.01 0.00 -0.75 0.00 0.00 64.21 62.41 1s78 n SER 215 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81