#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3i9e n LYS 2 N 0.00 0.00 -0.15 0.03 4.01 -1.26 -4.62 118.16 116.17 3i9e n LYS 2 Ca 0.00 0.00 0.00 0.00 -0.51 0.00 0.00 58.31 57.80 3i9e n LYS 2 Cb 0.00 -1.41 0.00 0.00 -0.51 0.00 0.00 35.03 33.11 3i9e n LYS 2 CO 0.00 0.00 0.00 0.41 -1.11 0.00 0.00 177.40 176.70 3i9e n GLY 3 N 4.99 1.78 0.00 0.72 0.00 -1.26 -2.48 105.19 108.94 3i9e n GLY 3 Ca 0.38 -2.03 0.00 0.00 0.00 0.00 0.00 46.02 44.36 3i9e n GLY 3 CO 0.00 0.00 0.00 4.51 0.00 0.00 0.00 173.32 177.83 3i9e n ILE 4 N -0.17 0.00 -4.42 -0.61 0.00 -1.23 -4.80 119.36 108.14 3i9e n ILE 4 Ca 0.00 0.00 -0.22 0.00 0.00 0.00 0.00 62.75 62.53 3i9e n ILE 4 Cb 0.00 0.00 -0.10 0.00 0.00 0.00 0.00 39.64 39.54 3i9e n ILE 4 CO 0.00 0.00 0.00 -0.76 0.00 0.00 0.00 176.55 175.79 3i9e s LEU 5 N 0.00 2.57 -0.20 9.51 1.43 -1.26 -1.19 118.68 129.53 3i9e s LEU 5 Ca 0.00 -1.01 -0.31 0.00 -1.03 0.00 0.00 54.13 51.78 3i9e s LEU 5 Cb 0.00 -0.94 0.15 0.00 0.03 0.00 0.00 46.19 45.43 3i9e s LEU 5 CO 0.00 -0.03 1.16 -0.83 0.23 0.00 0.00 176.35 176.88 3i9e s GLY 6 N -3.37 -0.16 0.00 -3.19 0.00 -0.89 -3.66 107.32 96.05 3i9e s GLY 6 Ca 0.26 2.16 0.00 0.00 0.00 0.00 0.00 44.72 47.14 3i9e s GLY 6 CO 0.12 0.91 0.00 3.33 0.00 0.00 0.00 173.10 177.46 3i9e n VAL 7 N 0.43 0.00 0.00 1.40 0.24 -1.23 -1.22 118.33 117.95 3i9e n VAL 7 Ca -0.04 0.00 0.00 0.00 -2.04 0.00 0.00 64.34 62.26 3i9e n VAL 7 Cb 0.59 -0.25 0.00 0.00 -1.47 0.00 0.00 33.84 32.71 3i9e n VAL 7 CO 0.00 0.00 0.00 1.17 -2.14 0.00 0.00 176.83 175.86 3i9e n LYS 8 N 0.00 0.00 0.00 7.34 4.81 -1.25 -3.67 118.16 125.38 3i9e n LYS 8 Ca 0.00 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.44 3i9e n LYS 8 Cb 0.00 0.00 0.00 0.00 0.02 0.00 0.00 35.03 35.05 3i9e n LYS 8 CO 0.00 0.00 0.00 0.28 1.17 0.00 0.00 177.40 178.85 3i9e n VAL 9 N 0.00 0.00 -2.75 3.15 0.31 0.12 -2.79 118.33 116.36 3i9e n VAL 9 Ca 0.00 0.36 0.00 0.00 -0.01 0.00 0.00 64.34 64.69 3i9e n VAL 9 Cb 0.00 -1.35 0.00 0.00 -0.91 0.00 0.00 33.84 31.58 3i9e n VAL 9 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 3i9e n GLY 10 N 0.00 3.30 3.49 2.92 0.00 -1.17 -4.56 105.19 109.17 3i9e n GLY 10 Ca 0.00 -1.08 -0.24 0.00 0.00 0.00 0.00 46.02 44.69 3i9e n GLY 10 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 3i9e s MET 11 N -0.25 1.72 0.00 1.61 -1.94 -1.26 -0.96 119.30 118.22 3i9e s MET 11 Ca 0.00 -1.79 0.00 0.00 -1.71 0.00 0.00 55.69 52.19 3i9e s MET 11 Cb 0.00 -1.77 0.00 0.00 2.01 0.00 0.00 34.83 35.07 3i9e s MET 11 CO 0.00 0.29 0.00 -2.37 -0.01 0.00 0.00 175.02 172.93 3i9e n THR 12 N -0.66 0.00 -2.64 2.05 5.66 -0.14 -4.95 114.28 113.60 3i9e n THR 12 Ca -0.05 0.00 -0.35 0.00 -3.05 0.00 0.00 64.05 60.60 3i9e n THR 12 Cb 0.61 0.00 -0.05 0.00 -1.55 0.00 0.00 70.33 69.34 3i9e n THR 12 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 3i9e s ARG 13 N -1.01 4.06 0.00 1.09 1.70 -1.26 0.21 118.95 123.74 3i9e s ARG 13 Ca 0.00 1.33 0.00 0.00 -0.47 0.00 0.00 55.73 56.59 3i9e s ARG 13 Cb 0.00 -2.28 0.00 0.00 -0.57 0.00 0.00 34.95 32.10 3i9e s ARG 13 CO 0.00 -0.20 0.00 1.51 -1.08 0.00 0.00 175.30 175.53 3i9e n ILE 14 N -0.55 0.00 -3.69 4.99 3.06 -1.26 -4.77 119.36 117.14 3i9e n ILE 14 Ca 0.07 0.00 -0.11 0.00 -2.50 0.00 0.00 62.75 60.21 3i9e n ILE 14 Cb 0.52 -0.02 -0.12 0.00 0.54 0.00 0.00 39.64 40.57 3i9e n ILE 14 CO 0.00 0.00 0.00 -0.36 -2.50 0.00 0.00 176.55 173.69 3i9e s PHE 15 N 1.29 -0.53 -0.20 9.51 0.08 -1.26 0.19 117.98 127.05 3i9e s PHE 15 Ca 0.00 1.13 -0.04 0.00 0.12 0.00 0.00 56.93 58.14 3i9e s PHE 15 Cb 0.00 0.14 0.10 0.00 -0.57 0.00 0.00 43.02 42.69 3i9e s PHE 15 CO 0.00 -0.35 0.33 -0.98 -0.10 0.00 0.00 175.22 174.12 3i9e s ARG 16 N 1.92 0.27 -1.24 0.44 1.70 -1.25 -4.89 118.95 115.90 3i9e s ARG 16 Ca -0.05 0.59 -0.02 0.00 -0.47 0.00 0.00 55.73 55.79 3i9e s ARG 16 Cb -0.11 -0.41 -0.01 0.00 -0.57 0.00 0.00 34.95 33.86 3i9e s ARG 16 CO -0.11 -0.51 0.83 -0.25 -1.08 0.00 0.00 175.30 174.19 3i9e n ASP 17 N 5.36 -2.22 0.00 -2.89 10.43 -1.26 -4.18 116.55 121.79 3i9e n ASP 17 Ca -0.05 -0.75 0.00 0.00 2.57 0.00 0.00 54.79 56.55 3i9e n ASP 17 Cb 0.50 -4.50 0.00 0.00 1.84 0.00 0.00 41.12 38.96 3i9e n ASP 17 CO 0.00 0.00 0.00 0.47 -1.07 0.00 0.00 177.20 176.60 3i9e n ASP 18 N -3.08 0.00 -3.71 -2.24 8.00 -1.26 -4.88 116.55 109.38 3i9e n ASP 18 Ca -0.26 0.00 -0.23 0.00 0.71 0.00 0.00 54.79 55.01 3i9e n ASP 18 Cb 0.67 0.00 0.00 0.00 -0.02 0.00 0.00 41.12 41.77 3i9e n ASP 18 CO 0.00 0.00 0.00 0.54 -0.39 0.00 0.00 177.20 177.35 3i9e n ARG 19 N 2.88 -1.44 -0.17 -1.24 1.74 -1.26 -4.89 116.66 112.30 3i9e n ARG 19 Ca 0.00 0.81 -0.15 0.00 -0.77 0.00 0.00 57.85 57.74 3i9e n ARG 19 Cb 0.00 -2.78 0.14 0.00 -1.02 0.00 0.00 32.46 28.80 3i9e n ARG 19 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 3i9e n ALA 20 N -2.69 -2.56 0.00 7.54 0.00 -1.26 -3.80 120.51 117.75 3i9e n ALA 20 Ca -0.27 -0.74 0.00 0.00 0.00 0.00 0.00 53.44 52.43 3i9e n ALA 20 Cb 0.66 -0.07 0.00 0.00 0.00 0.00 0.00 19.45 20.04 3i9e n ALA 20 CO 0.00 0.00 0.00 1.33 0.00 0.00 0.00 177.50 178.83 3i9e n VAL 21 N -4.32 0.00 -3.10 0.00 0.24 0.13 -4.82 118.33 106.46 3i9e n VAL 21 Ca 0.07 0.00 0.04 0.00 -2.04 0.00 0.00 64.34 62.41 3i9e n VAL 21 Cb 0.29 0.00 0.00 0.00 -1.47 0.00 0.00 33.84 32.66 3i9e n VAL 21 CO 0.00 0.00 0.00 -2.16 -2.14 0.00 0.00 176.83 172.53 3i9e s PRO 22 N -3.51 0.28 0.47 7.34 0.04 -1.26 -4.24 135.00 134.12 3i9e s PRO 22 Ca 0.00 0.17 0.05 0.00 0.04 0.00 0.00 61.00 61.26 3i9e s PRO 22 Cb 0.00 0.10 -0.02 0.00 0.04 0.00 0.00 34.50 34.62 3i9e s PRO 22 CO 0.00 -0.49 0.16 0.14 0.04 0.00 0.00 177.00 176.85 3i9e s VAL 23 N 2.71 1.76 -0.32 -0.36 -7.23 0.13 -3.17 120.40 113.92 3i9e s VAL 23 Ca 0.21 -1.78 0.02 0.00 -1.81 0.00 0.00 61.98 58.63 3i9e s VAL 23 Cb -0.03 -2.53 0.10 0.00 0.56 0.00 0.00 36.38 34.47 3i9e s VAL 23 CO -0.21 0.00 0.06 -0.89 -0.31 0.00 0.00 175.10 173.74 3i9e s THR 24 N -2.74 1.75 0.13 5.32 2.01 -1.25 -0.97 115.64 119.89 3i9e s THR 24 Ca 0.28 -1.93 -0.31 0.00 0.31 0.00 0.00 61.69 60.03 3i9e s THR 24 Cb 0.02 -2.27 -0.09 0.00 0.01 0.00 0.00 72.50 70.18 3i9e s THR 24 CO 0.16 -0.58 1.45 0.68 -0.69 0.00 0.00 174.62 175.63 3i9e s VAL 25 N 1.18 3.08 -0.08 3.82 -7.23 -0.14 -3.25 120.40 117.78 3i9e s VAL 25 Ca 0.09 0.78 -0.04 0.00 -1.81 0.00 0.00 61.98 60.99 3i9e s VAL 25 Cb -0.18 -3.50 0.04 0.00 0.56 0.00 0.00 36.38 33.30 3i9e s VAL 25 CO -0.14 0.06 0.19 -0.51 -0.31 0.00 0.00 175.10 174.40 3i9e s ILE 26 N 1.11 -0.04 -0.27 -0.62 -1.16 0.31 -0.71 121.20 119.82 3i9e s ILE 26 Ca 0.66 0.15 -0.12 0.00 -0.51 0.00 0.00 60.65 60.83 3i9e s ILE 26 Cb -0.39 -0.30 -0.05 0.00 0.61 0.00 0.00 42.46 42.33 3i9e s ILE 26 CO 0.31 0.06 0.22 -1.48 -2.81 0.00 0.00 174.94 171.23 3i9e s LEU 27 N 1.10 4.04 -1.19 8.50 2.34 -1.26 0.18 118.68 132.39 3i9e s LEU 27 Ca -0.08 0.07 -0.07 0.00 0.06 0.00 0.00 54.13 54.11 3i9e s LEU 27 Cb -0.10 -2.17 0.23 0.00 -0.56 0.00 0.00 46.19 43.59 3i9e s LEU 27 CO -0.06 -0.05 1.75 0.00 -1.06 0.00 0.00 176.35 176.92 3i9e n ALA 28 N 4.94 5.42 -0.86 1.48 0.00 0.07 -3.50 120.51 128.06 3i9e n ALA 28 Ca -0.13 -4.52 -0.35 0.00 0.00 0.00 0.00 53.44 48.44 3i9e n ALA 28 Cb 0.52 -2.68 0.09 0.00 0.00 0.00 0.00 19.45 17.38 3i9e n ALA 28 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3i9e n GLY 29 N 2.00 -3.07 3.65 0.00 0.00 -1.24 -4.61 105.19 101.92 3i9e n GLY 29 Ca 0.36 -0.64 -0.48 0.00 0.00 0.00 0.00 46.02 45.26 3i9e n GLY 29 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 3i9e n PRO 30 N 0.24 1.87 -3.92 1.61 -0.02 -1.26 -4.82 135.00 128.69 3i9e n PRO 30 Ca 0.01 0.67 -0.30 0.00 -2.02 0.00 0.00 63.50 61.87 3i9e n PRO 30 Cb 0.61 -2.40 -0.14 0.00 -0.02 0.00 0.00 33.50 31.55 3i9e n PRO 30 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3i9e n PRO 32 N 2.98 1.13 -1.55 0.00 -0.02 -1.23 -1.49 135.00 134.81 3i9e n PRO 32 Ca 0.07 0.09 -0.49 0.00 -2.02 0.00 0.00 63.50 61.16 3i9e n PRO 32 Cb 0.33 -3.25 -0.06 0.00 -0.02 0.00 0.00 33.50 30.50 3i9e n PRO 32 CO 0.00 0.00 0.00 1.55 1.98 0.00 0.00 175.50 179.03 3i9e n VAL 33 N 7.90 0.32 -0.16 -1.45 3.14 -1.26 -4.50 118.33 122.33 3i9e n VAL 33 Ca 0.38 -0.25 0.11 0.00 -2.96 0.00 0.00 64.34 61.62 3i9e n VAL 33 Cb 0.49 -1.84 0.27 0.00 -1.06 0.00 0.00 33.84 31.69 3i9e n VAL 33 CO 0.00 0.00 0.00 1.33 -6.46 0.00 0.00 176.83 171.70 3i9e n VAL 34 N 6.64 0.85 0.00 1.55 0.24 -1.13 -4.80 118.33 121.69 3i9e n VAL 34 Ca 0.34 -0.93 0.00 0.00 -2.04 0.00 0.00 64.34 61.71 3i9e n VAL 34 Cb 0.28 0.64 0.00 0.00 -1.47 0.00 0.00 33.84 33.29 3i9e n VAL 34 CO 0.00 0.00 0.00 1.67 -2.14 0.00 0.00 176.83 176.36 3i9e n GLN 35 N 1.43 0.00 -2.51 7.34 7.27 -1.26 -4.72 117.38 124.93 3i9e n GLN 35 Ca 0.21 0.00 -0.06 0.00 0.07 0.00 0.00 57.00 57.22 3i9e n GLN 35 Cb 0.58 0.00 0.04 0.00 2.41 0.00 0.00 30.24 33.28 3i9e n GLN 35 CO 0.00 0.00 0.00 0.54 0.07 0.00 0.00 177.06 177.67 3i9e n ARG 36 N -0.16 2.09 0.00 3.69 1.74 -1.26 -1.91 116.66 120.86 3i9e n ARG 36 Ca 0.00 -3.58 0.00 0.00 -0.77 0.00 0.00 57.85 53.50 3i9e n ARG 36 Cb 0.00 -1.68 0.00 0.00 -1.02 0.00 0.00 32.46 29.76 3i9e n ARG 36 CO 0.00 0.00 0.00 0.54 -1.52 0.00 0.00 177.63 176.65 3i9e n ARG 37 N -0.57 0.00 -2.69 5.56 5.12 -1.22 -4.47 116.66 118.38 3i9e n ARG 37 Ca 0.16 0.00 -0.34 0.00 -1.93 0.00 0.00 57.85 55.74 3i9e n ARG 37 Cb 0.86 0.00 -0.05 0.00 -1.16 0.00 0.00 32.46 32.11 3i9e n ARG 37 CO 0.00 0.00 0.00 -0.08 -1.93 0.00 0.00 177.63 175.62 3i9e s THR 38 N 0.00 4.09 -1.55 0.55 -1.32 -1.26 -2.27 115.64 113.89 3i9e s THR 38 Ca 0.00 1.40 0.00 0.00 -1.21 0.00 0.00 61.69 61.88 3i9e s THR 38 Cb 0.00 -3.62 0.00 0.00 -1.51 0.00 0.00 72.50 67.37 3i9e s THR 38 CO 0.00 -0.19 0.66 -0.81 -2.21 0.00 0.00 174.62 172.06 3i9e n PRO 39 N -0.50 0.85 -0.02 7.08 -0.04 -1.03 -0.22 135.00 141.12 3i9e n PRO 39 Ca 0.07 0.00 -0.04 0.00 -0.04 0.00 0.00 63.50 63.49 3i9e n PRO 39 Cb 0.52 -1.19 -0.02 0.00 -0.04 0.00 0.00 33.50 32.78 3i9e n PRO 39 CO 0.00 0.00 0.00 0.39 -0.04 0.00 0.00 175.50 175.85 3i9e n GLU 40 N -0.24 0.09 0.00 0.54 4.71 -1.26 -3.61 120.64 120.88 3i9e n GLU 40 Ca 0.00 0.04 0.12 0.00 -0.01 0.00 0.00 57.16 57.31 3i9e n GLU 40 Cb 0.10 -0.75 0.26 0.00 -1.01 0.00 0.00 31.44 30.04 3i9e n GLU 40 CO 0.00 0.00 0.00 1.17 0.09 0.00 0.00 177.13 178.39 3i9e n LYS 41 N -3.06 0.03 0.00 3.49 0.00 -1.20 -4.45 118.16 112.96 3i9e n LYS 41 Ca -0.08 0.01 0.00 0.00 0.00 0.00 0.00 58.31 58.24 3i9e n LYS 41 Cb 0.56 -1.52 0.00 0.00 0.00 0.00 0.00 35.03 34.08 3i9e n LYS 41 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.40 177.15 3i9e n ASP 42 N -1.55 2.27 0.00 3.14 8.00 0.70 -4.95 116.55 124.16 3i9e n ASP 42 Ca 0.05 0.00 0.00 0.00 0.71 0.00 0.00 54.79 55.55 3i9e n ASP 42 Cb 0.34 0.21 0.00 0.00 -0.02 0.00 0.00 41.12 41.65 3i9e n ASP 42 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 3i9e n GLY 43 N 1.75 2.59 3.33 0.44 0.00 -0.92 -4.95 105.19 107.44 3i9e n GLY 43 Ca 0.00 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 45.89 3i9e n GLY 43 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 3i9e s TYR 44 N -2.67 1.13 -0.13 1.61 -0.85 -1.25 -4.76 117.35 110.43 3i9e s TYR 44 Ca 0.00 -1.31 -0.00 0.00 -0.52 0.00 0.00 57.07 55.24 3i9e s TYR 44 Cb 0.00 -0.39 -0.02 0.00 0.38 0.00 0.00 41.96 41.94 3i9e s TYR 44 CO 0.00 -0.83 -0.12 0.99 -1.52 0.00 0.00 175.55 174.07 3i9e s THR 45 N -3.81 3.13 0.05 -3.49 2.01 -1.26 -2.47 115.64 109.81 3i9e s THR 45 Ca 0.35 -0.64 -0.04 0.00 0.31 0.00 0.00 61.69 61.68 3i9e s THR 45 Cb 0.04 -2.31 0.01 0.00 0.01 0.00 0.00 72.50 70.24 3i9e s THR 45 CO 0.16 0.53 0.18 0.00 -0.69 0.00 0.00 174.62 174.80 3i9e n ALA 46 N 3.43 -0.46 -3.35 7.40 0.00 -0.96 0.87 120.51 127.43 3i9e n ALA 46 Ca -0.18 -0.22 -0.14 0.00 0.00 0.00 0.00 53.44 52.90 3i9e n ALA 46 Cb 0.53 0.14 -0.08 0.00 0.00 0.00 0.00 19.45 20.05 3i9e n ALA 46 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 177.50 177.64 3i9e s VAL 47 N -2.61 -0.46 0.48 0.00 -7.23 -1.26 -3.38 120.40 105.94 3i9e s VAL 47 Ca 0.04 -0.60 -0.20 0.00 -1.81 0.00 0.00 61.98 59.40 3i9e s VAL 47 Cb -0.01 -0.83 -0.12 0.00 0.56 0.00 0.00 36.38 35.98 3i9e s VAL 47 CO 0.02 -0.44 0.47 0.00 -0.31 0.00 0.00 175.10 174.83 3i9e n GLN 48 N 4.89 0.50 0.03 4.82 6.02 -0.80 -3.95 117.38 128.90 3i9e n GLN 48 Ca 0.04 0.19 0.00 0.00 -0.01 0.00 0.00 57.00 57.22 3i9e n GLN 48 Cb 0.47 -1.52 0.00 0.00 1.02 0.00 0.00 30.24 30.21 3i9e n GLN 48 CO 0.00 0.00 0.00 1.28 -1.01 0.00 0.00 177.06 177.33 3i9e n LEU 49 N 1.16 0.75 0.00 1.08 4.32 -1.09 -2.83 117.00 120.38 3i9e n LEU 49 Ca 0.11 0.10 0.00 0.00 -0.02 0.00 0.00 56.01 56.20 3i9e n LEU 49 Cb 0.43 -0.22 0.00 0.00 -1.62 0.00 0.00 43.42 42.01 3i9e n LEU 49 CO 0.53 -0.52 0.00 0.61 -1.22 0.00 0.00 177.39 176.80 3i9e n GLY 50 N 3.31 -1.93 0.00 -0.72 0.00 -1.11 -3.55 105.19 101.19 3i9e n GLY 50 Ca 0.00 -1.25 0.00 0.00 0.00 0.00 0.00 46.02 44.77 3i9e n GLY 50 CO 0.00 0.00 0.00 0.33 0.00 0.00 0.00 173.32 173.65 3i9e n PHE 51 N -0.38 0.00 0.00 1.61 -0.00 -1.15 -4.21 117.46 113.33 3i9e n PHE 51 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 57.45 57.45 3i9e n PHE 51 Cb 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 39.48 39.48 3i9e n PHE 51 CO 0.00 0.00 0.00 1.28 -0.00 0.00 0.00 176.76 178.04 3i9e n LEU 52 N 0.00 0.00 0.00 -2.13 4.77 -1.26 -4.38 117.00 114.00 3i9e n LEU 52 Ca 0.00 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 55.98 3i9e n LEU 52 Cb 0.00 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.09 3i9e n LEU 52 CO 0.00 0.00 0.11 -0.81 -1.33 0.00 0.00 177.39 175.36 3i9e n PRO 53 N 0.00 0.00 0.00 3.23 -0.04 -1.26 -0.27 135.00 136.66 3i9e n PRO 53 Ca 0.00 0.06 0.00 0.00 -0.04 0.00 0.00 63.50 63.52 3i9e n PRO 53 Cb 0.00 -0.73 0.00 0.00 -0.04 0.00 0.00 33.50 32.73 3i9e n PRO 53 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 3i9e n GLN 54 N -0.29 0.00 -1.19 0.54 0.00 -1.26 -3.31 117.38 111.86 3i9e n GLN 54 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 57.00 57.00 3i9e n GLN 54 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 30.24 30.24 3i9e n GLN 54 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.06 177.15 3i9e n ASN 55 N -3.85 -1.59 -0.74 2.61 4.13 -1.26 -4.54 115.26 110.02 3i9e n ASN 55 Ca 0.00 0.00 0.00 0.00 1.68 0.00 0.00 54.58 56.26 3i9e n ASN 55 Cb 0.00 -0.76 0.00 0.00 -1.54 0.00 0.00 39.78 37.48 3i9e n ASN 55 CO 0.00 0.00 0.00 -0.81 0.28 0.00 0.00 177.26 176.73 3i9e n PRO 56 N -0.84 0.39 0.00 3.52 -0.04 -1.26 -4.47 135.00 132.31 3i9e n PRO 56 Ca 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.46 3i9e n PRO 56 Cb 0.40 -1.25 0.00 0.00 -0.04 0.00 0.00 33.50 32.61 3i9e n PRO 56 CO 0.00 0.00 0.00 1.63 -0.04 0.00 0.00 175.50 177.09 3i9e n LYS 57 N 0.55 0.00 0.00 0.54 4.76 -1.26 -5.00 118.16 117.75 3i9e n LYS 57 Ca 0.00 0.00 0.00 0.00 -2.87 0.00 0.00 58.31 55.44 3i9e n LYS 57 Cb 0.15 0.00 0.00 0.00 -1.84 0.00 0.00 35.03 33.34 3i9e n LYS 57 CO 0.00 0.00 0.00 0.54 -1.37 0.00 0.00 177.40 176.57 3i9e n ARG 58 N 0.00 0.72 -2.03 1.97 1.74 -1.26 -4.97 116.66 112.83 3i9e n ARG 58 Ca 0.00 -0.15 -0.35 0.00 -0.77 0.00 0.00 57.85 56.58 3i9e n ARG 58 Cb 0.00 -0.56 -0.04 0.00 -1.02 0.00 0.00 32.46 30.84 3i9e n ARG 58 CO 0.00 0.00 0.00 0.28 -1.52 0.00 0.00 177.63 176.39 3i9e n VAL 59 N -0.14 2.48 0.00 1.55 0.31 -1.26 -4.97 118.33 116.29 3i9e n VAL 59 Ca 0.00 -2.50 0.00 0.00 -0.01 0.00 0.00 64.34 61.83 3i9e n VAL 59 Cb 0.09 -2.26 0.00 0.00 -0.91 0.00 0.00 33.84 30.76 3i9e n VAL 59 CO 0.00 0.00 0.00 -0.46 -1.32 0.00 0.00 176.83 175.05 3i9e n ASN 60 N 11.41 0.00 0.00 4.52 0.23 -1.26 -4.74 115.26 125.42 3i9e n ASN 60 Ca 0.47 0.00 0.00 0.00 -0.53 0.00 0.00 54.58 54.52 3i9e n ASN 60 Cb 0.45 0.00 0.00 0.00 -2.08 0.00 0.00 39.78 38.15 3i9e n ASN 60 CO 0.00 0.00 0.00 0.54 -0.93 0.00 0.00 177.26 176.87 3i9e n ARG 61 N 0.00 0.00 0.00 -3.83 5.12 -1.26 -4.82 116.66 111.87 3i9e n ARG 61 Ca 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 57.85 55.92 3i9e n ARG 61 Cb 0.00 -0.01 0.00 0.00 -1.16 0.00 0.00 32.46 31.29 3i9e n ARG 61 CO 0.00 0.00 0.00 -2.30 -1.93 0.00 0.00 177.63 173.40 3i9e n PRO 62 N -1.44 0.00 0.00 5.56 -0.02 -1.26 -4.25 135.00 133.59 3i9e n PRO 62 Ca 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.48 3i9e n PRO 62 Cb 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 33.50 33.48 3i9e n PRO 62 CO 0.00 0.00 0.00 1.47 1.98 0.00 0.00 175.50 178.95 3i9e n LEU 63 N -3.62 0.00 -0.24 2.45 -0.00 -1.26 -4.58 117.00 109.75 3i9e n LEU 63 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 56.01 56.01 3i9e n LEU 63 Cb 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 43.42 43.42 3i9e n LEU 63 CO 0.00 0.00 0.00 1.17 -0.00 0.00 0.00 177.39 178.56 3i9e n LYS 64 N 0.00 0.00 0.00 1.47 4.81 -1.26 -4.94 118.16 118.24 3i9e n LYS 64 Ca 0.00 0.00 0.04 0.00 -0.87 0.00 0.00 58.31 57.48 3i9e n LYS 64 Cb 0.00 -0.92 0.22 0.00 0.02 0.00 0.00 35.03 34.35 3i9e n LYS 64 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 3i9e n GLY 65 N -0.24 -0.31 0.00 3.14 0.00 -1.26 -3.93 105.19 102.59 3i9e n GLY 65 Ca 0.00 -0.04 0.00 0.00 0.00 0.00 0.00 46.02 45.98 3i9e n GLY 65 CO 0.00 0.00 0.00 1.57 0.00 0.00 0.00 173.32 174.89 3i9e n HIS 66 N -1.07 0.00 -1.62 1.61 -0.00 -1.26 -3.97 115.22 108.91 3i9e n HIS 66 Ca 0.05 0.00 -0.44 0.00 -0.00 0.00 0.00 57.72 57.33 3i9e n HIS 66 Cb 0.03 -0.19 -0.03 0.00 -0.00 0.00 0.00 29.99 29.80 3i9e n HIS 66 CO 0.00 0.00 0.00 1.19 -0.00 0.00 0.00 176.34 177.53 3i9e n PHE 67 N -1.85 2.15 -0.54 1.57 3.01 -1.25 -4.74 117.46 115.81 3i9e n PHE 67 Ca 0.00 -0.17 -0.34 0.00 1.01 0.00 0.00 57.45 57.94 3i9e n PHE 67 Cb 0.00 -2.74 -0.09 0.00 -0.01 0.00 0.00 39.48 36.64 3i9e n PHE 67 CO 0.00 0.00 0.00 0.00 1.01 0.00 0.00 176.76 177.77 3i9e n ALA 68 N 9.80 0.71 -0.39 4.37 0.00 -1.25 -0.73 120.51 133.01 3i9e n ALA 68 Ca 0.27 -2.12 0.00 0.00 0.00 0.00 0.00 53.44 51.59 3i9e n ALA 68 Cb 0.41 -3.04 0.00 0.00 0.00 0.00 0.00 19.45 16.81 3i9e n ALA 68 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 3i9e n LYS 69 N 7.02 0.00 0.00 0.00 5.02 -1.26 -4.97 118.16 123.97 3i9e n LYS 69 Ca 0.36 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.65 3i9e n LYS 69 Cb 0.36 0.00 0.00 0.00 -0.02 0.00 0.00 35.03 35.37 3i9e n LYS 69 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 3i9e n ALA 70 N 0.00 1.42 -1.49 7.82 0.00 0.09 -4.79 120.51 123.56 3i9e n ALA 70 Ca 0.00 0.00 -0.41 0.00 0.00 0.00 0.00 53.44 53.03 3i9e n ALA 70 Cb 0.00 -1.77 -0.14 0.00 0.00 0.00 0.00 19.45 17.54 3i9e n ALA 70 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3i9e n GLY 71 N 1.82 -0.43 4.04 0.00 0.00 -1.26 -0.77 105.19 108.59 3i9e n GLY 71 Ca 0.00 1.12 -0.35 0.00 0.00 0.00 0.00 46.02 46.80 3i9e n GLY 71 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 3i9e n VAL 72 N 7.49 -1.65 0.00 1.61 0.31 -1.26 -4.39 118.33 120.44 3i9e n VAL 72 Ca 0.64 -0.47 0.00 0.00 -0.01 0.00 0.00 64.34 64.50 3i9e n VAL 72 Cb 0.06 -1.45 0.00 0.00 -0.91 0.00 0.00 33.84 31.54 3i9e n VAL 72 CO 0.00 0.00 0.00 1.21 -1.32 0.00 0.00 176.83 176.72 3i9e n GLU 73 N -4.28 0.00 -1.25 5.55 4.07 0.05 -4.44 120.64 120.34 3i9e n GLU 73 Ca -0.17 0.00 -0.30 0.00 -0.06 0.00 0.00 57.16 56.63 3i9e n GLU 73 Cb 0.52 0.00 0.12 0.00 -0.06 0.00 0.00 31.44 32.02 3i9e n GLU 73 CO 0.00 0.00 0.00 -1.25 -0.06 0.00 0.00 177.13 175.82 3i9e s PRO 74 N 0.00 1.55 0.03 5.31 0.04 -1.21 -4.56 135.00 136.17 3i9e s PRO 74 Ca 0.00 0.88 -0.23 0.00 0.04 0.00 0.00 61.00 61.70 3i9e s PRO 74 Cb 0.00 -1.84 -0.15 0.00 0.04 0.00 0.00 34.50 32.55 3i9e s PRO 74 CO 0.00 -2.05 1.43 0.28 0.04 0.00 0.00 177.00 176.70 3i9e h VAL 75 N -1.41 1.28 -3.11 -0.36 2.07 -0.63 -3.39 116.25 110.70 3i9e h VAL 75 Ca -0.48 -0.89 -0.62 0.00 0.82 0.00 0.00 66.70 65.52 3i9e h VAL 75 Cb 1.27 1.70 -0.41 0.00 -1.52 0.00 0.00 31.29 32.33 3i9e h VAL 75 CO 0.54 0.25 -0.64 -0.13 0.02 0.00 0.00 177.57 177.61 3i9e s ARG 76 N -4.81 2.03 0.55 1.57 0.52 -1.26 -4.81 118.95 112.74 3i9e s ARG 76 Ca -0.15 -2.84 0.36 0.00 -0.52 0.00 0.00 55.73 52.58 3i9e s ARG 76 Cb 0.04 -3.09 1.62 0.00 0.52 0.00 0.00 34.95 34.05 3i9e s ARG 76 CO 0.70 -1.22 2.06 -0.84 0.02 0.00 0.00 175.30 176.02 3i9e h ILE 77 N 4.88 0.00 0.00 1.52 -0.00 -1.89 -3.04 117.51 118.97 3i9e h ILE 77 Ca 0.06 -0.34 0.00 0.00 -0.00 0.00 0.00 64.86 64.58 3i9e h ILE 77 Cb 0.83 1.31 0.00 0.00 -0.00 0.00 0.00 36.82 38.96 3i9e h ILE 77 CO 0.65 0.00 0.00 -0.11 -0.00 0.00 0.00 178.15 178.69 3i9e n LEU 78 N -3.00 0.00 -1.00 0.16 7.94 -1.26 -2.75 117.00 117.09 3i9e n LEU 78 Ca -0.00 0.00 0.00 0.00 -1.11 0.00 0.00 56.01 54.90 3i9e n LEU 78 Cb 0.23 0.00 0.00 0.00 0.53 0.00 0.00 43.42 44.18 3i9e n LEU 78 CO 0.24 0.00 -0.29 0.54 -1.11 0.00 0.00 177.39 176.77 3i9e n ARG 79 N 0.00 -2.84 -0.64 1.96 3.00 -1.26 -4.56 116.66 112.33 3i9e n ARG 79 Ca 0.00 2.13 0.00 0.00 -0.01 0.00 0.00 57.85 59.97 3i9e n ARG 79 Cb 0.00 -2.44 0.00 0.00 0.00 0.00 0.00 32.46 30.02 3i9e n ARG 79 CO 0.00 0.00 0.00 -0.85 0.00 0.00 0.00 177.63 176.78 3i9e n GLU 80 N -1.16 2.30 0.00 5.56 0.28 -1.26 -2.69 120.64 123.68 3i9e n GLU 80 Ca 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 57.16 57.00 3i9e n GLU 80 Cb 0.05 0.00 0.00 0.00 1.43 0.00 0.00 31.44 32.92 3i9e n GLU 80 CO 0.00 0.00 0.00 -0.89 -0.16 0.00 0.00 177.13 176.08 3i9e n ILE 81 N -0.35 0.00 -0.10 3.84 2.08 -1.25 -4.87 119.36 118.70 3i9e n ILE 81 Ca 0.00 0.00 0.00 0.00 0.56 0.00 0.00 62.75 63.31 3i9e n ILE 81 Cb 0.00 -1.01 0.00 0.00 -0.75 0.00 0.00 39.64 37.88 3i9e n ILE 81 CO 0.00 0.00 0.00 0.54 0.56 0.00 0.00 176.55 177.65 3i9e n ARG 82 N -2.73 0.00 -3.17 0.38 5.12 -1.26 -4.87 116.66 110.13 3i9e n ARG 82 Ca 0.00 0.10 -0.23 0.00 -1.93 0.00 0.00 57.85 55.79 3i9e n ARG 82 Cb 0.46 0.00 0.03 0.00 -1.16 0.00 0.00 32.46 31.79 3i9e n ARG 82 CO 0.00 0.00 0.00 -0.25 -1.93 0.00 0.00 177.63 175.45 3i9e n ASP 83 N -0.03 -5.61 -4.17 0.55 8.00 0.25 -4.60 116.55 110.94 3i9e n ASP 83 Ca 0.00 -0.35 -0.27 0.00 0.71 0.00 0.00 54.79 54.88 3i9e n ASP 83 Cb 0.00 -4.53 -0.16 0.00 -0.02 0.00 0.00 41.12 36.41 3i9e n ASP 83 CO 0.00 0.00 0.00 0.12 -0.39 0.00 0.00 177.20 176.93 3i9e s PHE 84 N -3.14 1.82 -0.36 1.24 5.99 -1.26 -1.92 117.98 120.33 3i9e s PHE 84 Ca 0.36 -0.48 0.02 0.00 0.00 0.00 0.00 56.93 56.83 3i9e s PHE 84 Cb -0.17 -1.20 0.15 0.00 0.00 0.00 0.00 43.02 41.80 3i9e s PHE 84 CO 0.45 -0.14 0.32 1.21 -0.00 0.00 0.00 175.22 177.06 3i9e s ASN 85 N -0.12 1.78 0.21 6.13 3.84 -1.26 -4.36 114.94 121.16 3i9e s ASN 85 Ca -0.01 -1.78 0.00 0.00 0.21 0.00 0.00 52.86 51.28 3i9e s ASN 85 Cb -0.11 0.24 0.00 0.00 -0.55 0.00 0.00 41.25 40.83 3i9e s ASN 85 CO 0.02 -0.28 0.00 -0.81 -2.79 0.00 0.00 177.10 173.24 3i9e n PRO 86 N 4.18 0.51 -1.40 0.43 -0.04 -1.26 -4.83 135.00 132.60 3i9e n PRO 86 Ca 0.11 0.00 -0.25 0.00 -0.04 0.00 0.00 63.50 63.33 3i9e n PRO 86 Cb 0.42 0.00 -0.08 0.00 -0.04 0.00 0.00 33.50 33.80 3i9e n PRO 86 CO 0.00 0.00 0.00 -0.85 -0.04 0.00 0.00 175.50 174.61 3i9e n GLU 87 N -0.35 2.55 -1.04 0.54 0.28 -1.26 -4.79 120.64 116.56 3i9e n GLU 87 Ca 0.00 -2.08 0.00 0.00 -0.16 0.00 0.00 57.16 54.92 3i9e n GLU 87 Cb 0.00 -2.18 0.00 0.00 1.43 0.00 0.00 31.44 30.69 3i9e n GLU 87 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 177.13 177.38 3i9e n GLY 88 N 1.50 -0.11 3.22 -1.84 0.00 -1.26 -4.73 105.19 101.96 3i9e n GLY 88 Ca 0.50 0.00 0.04 0.00 0.00 0.00 0.00 46.02 46.56 3i9e n GLY 88 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 3i9e s ASP 89 N -0.86 -0.51 0.12 1.61 2.15 -1.26 -4.95 116.67 112.96 3i9e s ASP 89 Ca 0.00 0.44 0.00 0.00 0.43 0.00 0.00 52.55 53.42 3i9e s ASP 89 Cb 0.00 1.48 0.00 0.00 -0.30 0.00 0.00 42.92 44.10 3i9e s ASP 89 CO 0.00 -0.10 0.00 0.41 -0.17 0.00 0.00 175.17 175.31 3i9e n THR 90 N 5.26 -7.12 -2.75 1.71 -1.04 -1.26 -4.83 114.28 104.26 3i9e n THR 90 Ca -0.07 1.85 -0.42 0.00 -2.04 0.00 0.00 64.05 63.37 3i9e n THR 90 Cb 0.53 -3.14 -0.03 0.00 -1.82 0.00 0.00 70.33 65.88 3i9e n THR 90 CO 0.00 0.00 0.00 -0.69 -0.64 0.00 0.00 175.07 173.74 3i9e s VAL 91 N -0.37 4.75 0.00 12.58 1.01 -0.56 -4.83 120.40 132.98 3i9e s VAL 91 Ca 0.00 1.85 0.00 0.00 0.00 0.00 0.00 61.98 63.83 3i9e s VAL 91 Cb 0.00 -4.24 0.00 0.00 0.00 0.00 0.00 36.38 32.14 3i9e s VAL 91 CO 0.00 -0.12 0.00 0.41 0.00 0.00 0.00 175.10 175.39 3i9e n THR 92 N 5.21 0.00 0.00 3.92 -1.04 -1.26 -2.90 114.28 118.20 3i9e n THR 92 Ca 0.09 0.18 0.00 0.00 -2.04 0.00 0.00 64.05 62.29 3i9e n THR 92 Cb 0.47 -0.93 0.00 0.00 -1.82 0.00 0.00 70.33 68.05 3i9e n THR 92 CO 0.00 0.00 0.00 0.52 -0.64 0.00 0.00 175.07 174.95 3i9e n VAL 93 N 0.00 0.00 0.66 12.58 0.31 -1.26 -4.50 118.33 126.12 3i9e n VAL 93 Ca 0.00 0.00 0.02 0.00 -0.01 0.00 0.00 64.34 64.35 3i9e n VAL 93 Cb 0.00 0.00 0.12 0.00 -0.91 0.00 0.00 33.84 33.05 3i9e n VAL 93 CO 0.00 0.00 0.00 -0.62 -1.32 0.00 0.00 176.83 174.89 3i9e n GLU 94 N 0.00 0.33 0.12 5.55 1.02 -1.26 -1.57 120.64 124.82 3i9e n GLU 94 Ca 0.00 0.00 0.10 0.00 -0.02 0.00 0.00 57.16 57.24 3i9e n GLU 94 Cb 0.00 -1.20 0.46 0.00 -0.02 0.00 0.00 31.44 30.69 3i9e n GLU 94 CO 0.00 0.00 0.00 -0.89 1.18 0.00 0.00 177.13 177.42 3i9e n ILE 95 N -0.70 1.00 -4.14 -3.67 -0.00 -1.26 -4.46 119.36 106.13 3i9e n ILE 95 Ca 0.03 0.41 -0.34 0.00 -0.00 0.00 0.00 62.75 62.85 3i9e n ILE 95 Cb 0.01 -1.34 -0.15 0.00 -0.00 0.00 0.00 39.64 38.16 3i9e n ILE 95 CO 0.00 0.00 0.00 -0.36 -0.00 0.00 0.00 176.55 176.19 3i9e s PHE 96 N -3.33 2.84 -0.04 1.39 0.08 -0.61 -5.08 117.98 113.23 3i9e s PHE 96 Ca 0.02 -1.26 -0.03 0.00 0.12 0.00 0.00 56.93 55.78 3i9e s PHE 96 Cb 0.08 -1.98 -0.04 0.00 -0.57 0.00 0.00 43.02 40.51 3i9e s PHE 96 CO 0.29 -0.64 0.12 0.15 -0.10 0.00 0.00 175.22 175.04 3i9e s LYS 97 N 1.24 3.29 0.99 0.44 1.02 -1.26 -4.88 119.74 120.58 3i9e s LYS 97 Ca 0.03 -0.33 -0.13 0.00 0.02 0.00 0.00 55.97 55.56 3i9e s LYS 97 Cb -0.14 -3.02 0.10 0.00 -0.52 0.00 0.00 37.83 34.25 3i9e s LYS 97 CO -0.07 0.70 0.58 -2.30 -0.92 0.00 0.00 175.35 173.34 3i9e n PRO 98 N 1.39 -0.77 0.00 -1.68 -0.02 -1.26 -2.75 135.00 129.91 3i9e n PRO 98 Ca -0.15 -0.18 0.00 0.00 -2.02 0.00 0.00 63.50 61.15 3i9e n PRO 98 Cb 0.53 -1.99 0.00 0.00 -0.02 0.00 0.00 33.50 32.02 3i9e n PRO 98 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3i9e n GLY 99 N 1.24 2.97 3.60 -1.23 0.00 -0.22 -4.99 105.19 106.55 3i9e n GLY 99 Ca 0.07 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.79 3i9e n GLY 99 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3i9e s GLU 100 N -0.03 -1.04 0.04 1.61 2.02 -1.11 -4.74 118.70 115.45 3i9e s GLU 100 Ca 0.00 0.01 0.06 0.00 0.02 0.00 0.00 54.97 55.07 3i9e s GLU 100 Cb 0.00 -1.61 -0.02 0.00 0.10 0.00 0.00 34.13 32.60 3i9e s GLU 100 CO 0.00 -3.61 -0.18 0.50 0.02 0.00 0.00 175.26 171.99 3i9e s ARG 101 N -5.34 1.20 0.07 1.61 6.06 -1.26 -1.14 118.95 120.14 3i9e s ARG 101 Ca 0.70 -0.86 0.01 0.00 -2.50 0.00 0.00 55.73 53.08 3i9e s ARG 101 Cb -0.11 -1.27 -0.00 0.00 0.06 0.00 0.00 34.95 33.62 3i9e s ARG 101 CO 0.56 0.32 0.03 1.33 -2.50 0.00 0.00 175.30 175.04 3i9e n VAL 102 N 1.88 0.00 -3.69 7.11 0.24 0.00 -1.88 118.33 121.99 3i9e n VAL 102 Ca -0.17 -0.41 -0.15 0.00 -2.04 0.00 0.00 64.34 61.56 3i9e n VAL 102 Cb 0.54 0.16 -0.15 0.00 -1.47 0.00 0.00 33.84 32.92 3i9e n VAL 102 CO 0.00 0.00 0.00 -1.81 -2.14 0.00 0.00 176.83 172.88 3i9e s ASP 103 N -1.42 0.39 -0.09 -1.34 1.11 -0.95 -1.74 116.67 112.63 3i9e s ASP 103 Ca 0.04 0.39 -0.02 0.00 0.18 0.00 0.00 52.55 53.15 3i9e s ASP 103 Cb 0.00 0.35 -0.03 0.00 1.07 0.00 0.00 42.92 44.31 3i9e s ASP 103 CO 0.03 -0.22 0.01 -0.69 1.18 0.00 0.00 175.17 175.48 3i9e s VAL 104 N 1.98 4.37 -0.13 -1.27 1.01 -0.96 -1.51 120.40 123.88 3i9e s VAL 104 Ca -0.01 -0.22 0.02 0.00 0.00 0.00 0.00 61.98 61.77 3i9e s VAL 104 Cb -0.12 -2.84 0.01 0.00 0.00 0.00 0.00 36.38 33.43 3i9e s VAL 104 CO -0.07 0.61 -0.19 -0.89 0.00 0.00 0.00 175.10 174.56 3i9e s THR 105 N -0.88 1.87 0.15 3.92 2.01 -0.52 -2.00 115.64 120.19 3i9e s THR 105 Ca 0.13 -0.86 -0.07 0.00 0.31 0.00 0.00 61.69 61.21 3i9e s THR 105 Cb -0.11 -1.67 -0.02 0.00 0.01 0.00 0.00 72.50 70.71 3i9e s THR 105 CO 0.02 0.51 0.21 -0.83 -0.69 0.00 0.00 174.62 173.85 3i9e s GLY 106 N 0.95 0.57 -0.40 4.40 0.00 0.10 -1.54 107.32 111.39 3i9e s GLY 106 Ca -0.05 -1.01 -0.28 0.00 0.00 0.00 0.00 44.72 43.38 3i9e s GLY 106 CO -0.03 -0.97 1.03 -1.59 0.00 0.00 0.00 173.10 171.53 3i9e s THR 107 N -3.98 4.43 0.89 0.90 2.01 -1.26 0.06 115.64 118.70 3i9e s THR 107 Ca 0.18 1.28 -0.11 0.00 0.31 0.00 0.00 61.69 63.34 3i9e s THR 107 Cb 0.05 -4.45 0.13 0.00 0.01 0.00 0.00 72.50 68.23 3i9e s THR 107 CO -0.01 -0.71 1.09 -0.94 -0.69 0.00 0.00 174.62 173.36 3i9e s SER 108 N 2.06 3.41 0.26 3.53 1.04 -0.70 -3.02 113.70 120.28 3i9e s SER 108 Ca 0.43 1.66 -0.30 0.00 0.48 0.00 0.00 55.95 58.22 3i9e s SER 108 Cb -0.10 -2.31 -0.10 0.00 0.10 0.00 0.00 66.02 63.60 3i9e s SER 108 CO 0.23 -2.70 1.42 -0.54 0.98 0.00 0.00 173.24 172.63 3i9e s LYS 109 N -4.85 4.27 -0.50 4.02 1.02 -1.26 -1.94 119.74 120.50 3i9e s LYS 109 Ca 0.64 2.30 -0.28 0.00 0.02 0.00 0.00 55.97 58.65 3i9e s LYS 109 Cb -0.19 -3.10 0.03 0.00 -0.52 0.00 0.00 37.83 34.05 3i9e s LYS 109 CO 0.58 -0.39 1.09 0.20 -0.92 0.00 0.00 175.35 175.90 3i9e s GLY 110 N 0.25 1.31 -0.07 -3.33 0.00 -1.26 -2.04 107.32 102.17 3i9e s GLY 110 Ca 0.58 -0.67 0.18 0.00 0.00 0.00 0.00 44.72 44.81 3i9e s GLY 110 CO 0.45 2.32 1.55 0.54 0.00 0.00 0.00 173.10 177.96 3i9e n ARG 111 N 7.78 3.33 0.00 2.90 1.74 -0.86 -4.93 116.66 126.62 3i9e n ARG 111 Ca 0.09 -2.73 0.00 0.00 -0.77 0.00 0.00 57.85 54.44 3i9e n ARG 111 Cb 0.49 -1.73 0.00 0.00 -1.02 0.00 0.00 32.46 30.20 3i9e n ARG 111 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 3i9e n GLY 112 N 1.08 0.88 3.57 -0.13 0.00 -1.24 -4.16 105.19 105.19 3i9e n GLY 112 Ca 0.23 -0.65 -0.40 0.00 0.00 0.00 0.00 46.02 45.20 3i9e n GLY 112 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 3i9e s PHE 113 N 0.00 1.56 -0.16 1.61 5.99 -1.26 -2.17 117.98 123.55 3i9e s PHE 113 Ca 0.00 0.88 -0.08 0.00 0.00 0.00 0.00 56.93 57.73 3i9e s PHE 113 Cb 0.00 -3.99 -0.04 0.00 0.00 0.00 0.00 43.02 38.98 3i9e s PHE 113 CO 0.00 -2.64 0.12 0.00 -0.00 0.00 0.00 175.22 172.70 3i9e s ALA 114 N 8.98 3.72 0.74 11.12 0.00 -0.01 -4.89 121.76 141.42 3i9e s ALA 114 Ca 0.79 -0.68 -0.12 0.00 0.00 0.00 0.00 51.96 51.95 3i9e s ALA 114 Cb -0.18 -2.03 0.04 0.00 0.00 0.00 0.00 23.12 20.95 3i9e s ALA 114 CO 0.26 0.36 1.10 0.20 0.00 0.00 0.00 175.76 177.68 3i9e s GLY 115 N -0.24 1.82 0.57 0.00 0.00 -1.26 -2.33 107.32 105.87 3i9e s GLY 115 Ca 0.10 0.35 -0.19 0.00 0.00 0.00 0.00 44.72 44.98 3i9e s GLY 115 CO 0.01 0.70 1.19 0.54 0.00 0.00 0.00 173.10 175.54 3i9e s VAL 116 N -2.74 2.75 0.00 1.40 0.11 -1.26 -2.95 120.40 117.72 3i9e s VAL 116 Ca 0.63 0.48 0.00 0.00 -2.93 0.00 0.00 61.98 60.16 3i9e s VAL 116 Cb -0.18 -3.20 0.00 0.00 -1.53 0.00 0.00 36.38 31.47 3i9e s VAL 116 CO 0.52 -0.09 0.00 1.15 -3.33 0.00 0.00 175.10 173.34 3i9e n MET 117 N -1.44 0.00 0.00 1.54 0.00 -1.26 -4.74 117.12 111.22 3i9e n MET 117 Ca 0.13 0.08 0.00 0.00 0.00 0.00 0.00 57.70 57.90 3i9e n MET 117 Cb 0.50 -0.98 0.00 0.00 0.00 0.00 0.00 33.22 32.74 3i9e n MET 117 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 175.97 177.14 3i9e n LYS 118 N -2.28 0.00 0.03 3.17 4.81 -1.21 -4.09 118.16 118.60 3i9e n LYS 118 Ca 0.00 0.00 -0.01 0.00 -0.87 0.00 0.00 58.31 57.43 3i9e n LYS 118 Cb 0.00 -0.03 0.28 0.00 0.02 0.00 0.00 35.03 35.30 3i9e n LYS 118 CO 0.00 0.00 0.00 -0.09 1.17 0.00 0.00 177.40 178.48 3i9e h ARG 119 N 0.00 0.44 0.00 1.64 1.12 -1.82 -3.37 114.38 112.39 3i9e h ARG 119 Ca 0.00 -0.12 0.00 0.00 -1.11 0.00 0.00 59.98 58.75 3i9e h ARG 119 Cb 0.00 -0.05 0.00 0.00 -0.01 0.00 0.00 29.97 29.91 3i9e h ARG 119 CO 0.00 0.57 0.00 0.91 -3.11 0.00 0.00 179.97 178.34 3i9e n TRP 120 N -4.21 0.00 -1.07 2.20 7.02 -1.26 -5.03 117.44 115.09 3i9e n TRP 120 Ca 0.00 0.00 -0.03 0.00 -1.02 0.00 0.00 57.50 56.46 3i9e n TRP 120 Cb 0.32 0.00 -0.01 0.00 -2.42 0.00 0.00 31.31 29.19 3i9e n TRP 120 CO 0.00 0.00 0.00 0.09 -2.02 0.00 0.00 177.69 175.76 3i9e n ASN 121 N -0.00 -4.05 -4.45 -0.99 5.03 -1.26 -4.76 115.26 104.79 3i9e n ASN 121 Ca 0.00 0.06 -0.44 0.00 0.87 0.00 0.00 54.58 55.07 3i9e n ASN 121 Cb 0.23 -1.77 -0.01 0.00 -1.02 0.00 0.00 39.78 37.21 3i9e n ASN 121 CO 0.00 0.00 0.00 0.49 -1.83 0.00 0.00 177.26 175.92 3i9e n PHE 122 N -2.68 -0.32 0.30 3.10 3.01 -1.26 -4.78 117.46 114.83 3i9e n PHE 122 Ca -0.03 0.73 0.19 0.00 1.01 0.00 0.00 57.45 59.35 3i9e n PHE 122 Cb 0.21 -2.01 1.00 0.00 -0.01 0.00 0.00 39.48 38.67 3i9e n PHE 122 CO 0.00 0.00 0.00 0.00 1.01 0.00 0.00 176.76 177.77 3i9e h ALA 123 N 1.05 1.35 -0.24 4.37 0.00 -1.93 -3.41 119.26 120.44 3i9e h ALA 123 Ca -0.36 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.55 3i9e h ALA 123 Cb 1.40 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.20 3i9e h ALA 123 CO 0.54 -0.14 0.00 0.41 0.00 0.00 0.00 179.25 180.07 3i9e n GLY 124 N -1.23 -0.76 0.00 0.00 0.00 -1.26 -4.93 105.19 97.01 3i9e n GLY 124 Ca -0.02 -1.16 0.00 0.00 0.00 0.00 0.00 46.02 44.84 3i9e n GLY 124 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3i9e n GLY 125 N 0.00 2.76 3.36 -0.02 0.00 -0.63 -4.87 105.19 105.81 3i9e n GLY 125 Ca 0.00 -2.10 -0.40 0.00 0.00 0.00 0.00 46.02 43.52 3i9e n GLY 125 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 3i9e s PRO 126 N -0.08 2.83 0.56 1.61 0.05 -1.26 -4.95 135.00 133.75 3i9e s PRO 126 Ca 0.00 -1.07 0.21 0.00 0.05 0.00 0.00 61.00 60.19 3i9e s PRO 126 Cb 0.00 -3.68 1.14 0.00 0.05 0.00 0.00 34.50 32.02 3i9e s PRO 126 CO 0.00 -0.67 1.61 -0.44 0.05 0.00 0.00 177.00 177.55 3i9e h ASP 127 N 8.40 0.00 0.00 6.66 5.19 -1.98 -3.41 116.42 131.28 3i9e h ASP 127 Ca -0.26 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.15 3i9e h ASP 127 Cb 1.10 0.00 0.00 0.00 0.18 0.00 0.00 39.33 40.61 3i9e h ASP 127 CO 0.65 0.00 0.00 -1.54 -3.12 0.00 0.00 179.24 175.23 3i9e n SER 128 N -2.57 0.00 0.00 6.45 3.41 -1.26 -4.97 113.62 114.67 3i9e n SER 128 Ca -0.01 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.60 3i9e n SER 128 Cb 0.44 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.39 3i9e n SER 128 CO 0.00 0.00 0.00 1.41 -0.16 0.00 0.00 175.04 176.29 3i9e n HIS 129 N 0.00 -0.85 0.00 7.33 8.25 -1.26 -3.61 115.22 125.08 3i9e n HIS 129 Ca 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.46 3i9e n HIS 129 Cb 0.00 0.18 0.00 0.00 1.12 0.00 0.00 29.99 31.29 3i9e n HIS 129 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 3i9e n GLY 130 N 0.00 -1.54 7.00 -1.41 0.00 -1.26 -4.79 105.19 103.19 3i9e n GLY 130 Ca 0.00 0.32 0.00 0.00 0.00 0.00 0.00 46.02 46.34 3i9e n GLY 130 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3i9e n ALA 131 N -1.28 0.00 -1.01 4.61 0.00 -1.24 -4.99 120.51 116.60 3i9e n ALA 131 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 3i9e n ALA 131 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.45 3i9e n ALA 131 CO 0.00 0.00 0.00 1.58 0.00 0.00 0.00 177.50 179.08 3i9e n HIS 132 N 13.65 0.00 -2.32 0.00 -0.00 -1.26 -4.67 115.22 120.61 3i9e n HIS 132 Ca 0.00 0.00 -0.10 0.00 -0.00 0.00 0.00 57.72 57.62 3i9e n HIS 132 Cb 0.00 -1.01 -0.01 0.00 -0.00 0.00 0.00 29.99 28.97 3i9e n HIS 132 CO 0.00 0.00 0.00 1.63 -0.00 0.00 0.00 176.34 177.97 3i9e n LYS 133 N -0.19 -2.24 -0.74 1.57 5.02 -1.26 -4.76 118.16 115.55 3i9e n LYS 133 Ca 0.00 0.50 0.03 0.00 -2.02 0.00 0.00 58.31 56.82 3i9e n LYS 133 Cb 0.00 -5.04 0.05 0.00 -0.02 0.00 0.00 35.03 30.02 3i9e n LYS 133 CO 0.00 0.00 0.00 0.44 -0.52 0.00 0.00 177.40 177.32 3i9e n ILE 134 N -3.05 0.48 0.31 -0.18 -6.64 -1.26 -4.86 119.36 104.15 3i9e n ILE 134 Ca -0.12 -0.93 0.18 0.00 -1.77 0.00 0.00 62.75 60.11 3i9e n ILE 134 Cb 0.56 0.47 0.95 0.00 -1.44 0.00 0.00 39.64 40.18 3i9e n ILE 134 CO 0.00 0.00 0.00 0.45 -1.77 0.00 0.00 176.55 175.23 3i9e h HIS 135 N 0.39 0.00 0.00 4.28 -0.00 -1.90 -2.89 115.15 115.02 3i9e h HIS 135 Ca -0.07 0.00 -0.02 0.00 -0.00 0.00 0.00 60.37 60.29 3i9e h HIS 135 Cb 1.45 0.00 -0.03 0.00 -0.00 0.00 0.00 27.41 28.83 3i9e h HIS 135 CO 0.17 0.00 -0.46 0.54 -0.00 0.00 0.00 177.93 178.18 3i9e n ARG 136 N -3.14 0.26 -2.30 2.45 1.74 -1.26 -1.60 116.66 112.82 3i9e n ARG 136 Ca -0.01 -1.42 -0.26 0.00 -0.77 0.00 0.00 57.85 55.39 3i9e n ARG 136 Cb 0.28 -0.66 0.05 0.00 -1.02 0.00 0.00 32.46 31.12 3i9e n ARG 136 CO 0.00 0.00 0.00 -1.01 -1.52 0.00 0.00 177.63 175.10 3i9e s HIS 137 N -0.59 3.01 -2.00 -1.55 3.76 -1.09 -4.79 115.29 112.04 3i9e s HIS 137 Ca 0.10 0.46 0.19 0.00 -0.15 0.00 0.00 55.06 55.66 3i9e s HIS 137 Cb 0.09 -3.02 1.14 0.00 1.11 0.00 0.00 32.58 31.90 3i9e s HIS 137 CO -0.01 -1.18 1.72 -0.35 -0.85 0.00 0.00 174.74 174.07 3i9e n PRO 138 N -2.77 0.99 0.00 8.40 -0.04 -1.26 -4.51 135.00 135.81 3i9e n PRO 138 Ca 0.07 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.53 3i9e n PRO 138 Cb 0.59 -1.30 0.00 0.00 -0.04 0.00 0.00 33.50 32.75 3i9e n PRO 138 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 3i9e n GLY 139 N 0.78 3.13 3.95 0.55 0.00 -1.26 -4.73 105.19 107.60 3i9e n GLY 139 Ca 0.14 -0.17 -0.24 0.00 0.00 0.00 0.00 46.02 45.75 3i9e n GLY 139 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 3i9e s SER 140 N -4.00 5.72 0.00 1.61 0.15 -1.26 -5.05 113.70 110.87 3i9e s SER 140 Ca 0.00 0.37 0.00 0.00 0.70 0.00 0.00 55.95 57.02 3i9e s SER 140 Cb 0.00 -1.52 0.00 0.00 -1.71 0.00 0.00 66.02 62.79 3i9e s SER 140 CO 0.00 -0.83 0.04 2.30 1.20 0.00 0.00 173.24 175.94 3i9e n ILE 141 N -2.23 0.00 -2.99 6.45 -5.35 -1.26 -5.15 119.36 108.82 3i9e n ILE 141 Ca 0.03 -0.07 0.00 0.00 -0.27 0.00 0.00 62.75 62.44 3i9e n ILE 141 Cb 0.58 1.44 0.00 0.00 -1.74 0.00 0.00 39.64 39.91 3i9e n ILE 141 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 3i9e n GLY 142 N 0.07 1.59 0.00 3.28 0.00 -1.26 -4.80 105.19 104.07 3i9e n GLY 142 Ca 0.00 -0.81 0.00 0.00 0.00 0.00 0.00 46.02 45.21 3i9e n GLY 142 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 3i9e n ASN 143 N -0.30 0.84 0.00 1.61 5.03 -1.26 -5.13 115.26 116.06 3i9e n ASN 143 Ca 0.00 -0.30 0.00 0.00 0.87 0.00 0.00 54.58 55.15 3i9e n ASN 143 Cb 0.00 0.00 0.00 0.00 -1.02 0.00 0.00 39.78 38.76 3i9e n ASN 143 CO 0.00 0.00 0.00 0.54 -1.83 0.00 0.00 177.26 175.97 3i9e n ARG 144 N -0.17 0.35 0.00 3.52 1.74 -1.26 -4.74 116.66 116.09 3i9e n ARG 144 Ca 0.00 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 57.08 3i9e n ARG 144 Cb 0.00 0.00 0.00 0.00 -1.02 0.00 0.00 32.46 31.44 3i9e n ARG 144 CO 0.00 0.00 0.00 1.63 -1.52 0.00 0.00 177.63 177.74 3i9e n LYS 145 N 0.00 0.00 -3.68 5.56 5.02 -1.26 -2.98 118.16 120.83 3i9e n LYS 145 Ca 0.00 0.30 -0.11 0.00 -2.02 0.00 0.00 58.31 56.48 3i9e n LYS 145 Cb 0.00 -1.62 -0.11 0.00 -0.02 0.00 0.00 35.03 33.28 3i9e n LYS 145 CO 0.00 0.00 0.00 0.95 -0.52 0.00 0.00 177.40 177.83 3i9e s THR 146 N -2.55 -0.38 0.15 -0.18 -4.23 -1.26 -4.17 115.64 103.02 3i9e s THR 146 Ca 0.00 0.19 -0.15 0.00 -1.18 0.00 0.00 61.69 60.55 3i9e s THR 146 Cb 0.00 -0.55 0.03 0.00 1.34 0.00 0.00 72.50 73.32 3i9e s THR 146 CO 0.00 0.08 1.73 1.55 -0.54 0.00 0.00 174.62 177.44 3i9e h PRO 147 N 7.90 0.69 0.00 3.99 0.13 -1.90 -3.44 132.00 139.36 3i9e h PRO 147 Ca -0.22 -0.10 0.00 0.00 -0.87 0.00 0.00 66.00 64.80 3i9e h PRO 147 Cb 1.13 -0.12 0.00 0.00 0.13 0.00 0.00 31.00 32.14 3i9e h PRO 147 CO 0.19 0.58 0.00 0.41 -0.23 0.00 0.00 178.00 178.95 3i9e n GLY 148 N -0.89 0.79 0.00 1.56 0.00 -1.16 -5.04 105.19 100.46 3i9e n GLY 148 Ca 0.01 -0.13 0.00 0.00 0.00 0.00 0.00 46.02 45.90 3i9e n GLY 148 CO 0.00 0.00 0.00 -0.96 0.00 0.00 0.00 173.32 172.36 3i9e n ARG 149 N -2.39 0.00 -4.39 1.61 1.85 -1.26 -5.08 116.66 107.00 3i9e n ARG 149 Ca 0.00 0.00 -0.20 0.00 -1.00 0.00 0.00 57.85 56.65 3i9e n ARG 149 Cb 0.00 0.00 -0.15 0.00 -1.05 0.00 0.00 32.46 31.26 3i9e n ARG 149 CO 0.00 0.00 0.00 0.08 -0.01 0.00 0.00 177.63 177.70 3i9e s VAL 150 N -1.95 0.77 0.15 8.89 1.01 -1.26 -4.78 120.40 123.24 3i9e s VAL 150 Ca 0.00 -0.37 -0.33 0.00 0.00 0.00 0.00 61.98 61.28 3i9e s VAL 150 Cb 0.00 -0.68 -0.17 0.00 0.00 0.00 0.00 36.38 35.53 3i9e s VAL 150 CO 0.00 0.24 1.07 -1.22 0.00 0.00 0.00 175.10 175.18 3i9e n TYR 151 N 3.20 0.97 -0.19 5.22 4.01 -1.26 -4.85 117.16 124.25 3i9e n TYR 151 Ca -0.17 0.78 0.29 0.00 -0.16 0.00 0.00 57.90 58.64 3i9e n TYR 151 Cb 0.55 -2.21 0.73 0.00 -0.31 0.00 0.00 39.34 38.10 3i9e n TYR 151 CO 0.00 0.00 0.00 -0.22 -0.46 0.00 0.00 176.86 176.18 3i9e h LYS 152 N 3.01 0.00 -0.28 -0.72 1.63 -2.03 -0.99 116.57 117.18 3i9e h LYS 152 Ca -0.42 0.00 0.00 0.00 -0.85 0.00 0.00 60.65 59.38 3i9e h LYS 152 Cb 1.37 0.00 0.00 0.00 -0.60 0.00 0.00 32.23 33.00 3i9e h LYS 152 CO 0.68 0.00 0.00 0.41 -3.45 0.00 0.00 179.45 177.09 3i9e n GLY 153 N -1.71 3.77 3.68 5.01 0.00 -1.26 -5.03 105.19 109.64 3i9e n GLY 153 Ca 0.19 -0.90 -0.50 0.00 0.00 0.00 0.00 46.02 44.82 3i9e n GLY 153 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 3i9e n LYS 154 N -0.30 1.99 -1.90 1.61 0.00 -0.38 -4.92 118.16 114.26 3i9e n LYS 154 Ca 0.19 0.72 -0.41 0.00 0.00 0.00 0.00 58.31 58.82 3i9e n LYS 154 Cb 0.80 -2.57 -0.01 0.00 0.00 0.00 0.00 35.03 33.25 3i9e n LYS 154 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.40 177.55 3i9e s LYS 155 N 4.14 4.19 0.34 1.64 1.02 -1.26 -5.01 119.74 124.79 3i9e s LYS 155 Ca 0.94 2.46 -0.18 0.00 0.02 0.00 0.00 55.97 59.22 3i9e s LYS 155 Cb -0.75 -3.00 0.04 0.00 -0.52 0.00 0.00 37.83 33.60 3i9e s LYS 155 CO 0.54 -0.43 0.77 -1.64 -0.92 0.00 0.00 175.35 173.66 3i9e s MET 156 N -1.88 2.04 0.73 1.68 -1.94 -1.26 -5.12 119.30 113.55 3i9e s MET 156 Ca 0.52 -1.25 -0.11 0.00 -1.71 0.00 0.00 55.69 53.14 3i9e s MET 156 Cb -0.44 0.61 0.03 0.00 2.01 0.00 0.00 34.83 37.04 3i9e s MET 156 CO 0.59 -0.95 1.07 0.00 -0.01 0.00 0.00 175.02 175.72 3i9e s ALA 157 N -2.91 2.51 0.00 3.03 0.00 -1.26 -4.81 121.76 118.32 3i9e s ALA 157 Ca 0.14 0.01 0.00 0.00 0.00 0.00 0.00 51.96 52.11 3i9e s ALA 157 Cb -0.05 -3.16 0.00 0.00 0.00 0.00 0.00 23.12 19.90 3i9e s ALA 157 CO 0.10 -1.43 0.00 0.41 0.00 0.00 0.00 175.76 174.84 3i9e n GLY 158 N -1.95 -1.22 3.70 0.00 0.00 -0.99 -4.96 105.19 99.77 3i9e n GLY 158 Ca 0.07 -1.13 -0.43 0.00 0.00 0.00 0.00 46.02 44.54 3i9e n GLY 158 CO 0.00 0.00 0.00 1.57 0.00 0.00 0.00 173.32 174.89 3i9e n HIS 159 N 7.26 2.42 -3.68 1.61 -0.00 -1.26 -0.83 115.22 120.74 3i9e n HIS 159 Ca 0.00 0.38 -0.11 0.00 -0.00 0.00 0.00 57.72 57.99 3i9e n HIS 159 Cb 0.00 -2.50 -0.12 0.00 -0.00 0.00 0.00 29.99 27.37 3i9e n HIS 159 CO 0.00 0.00 0.00 -0.47 -0.00 0.00 0.00 176.34 175.87 3i9e s TYR 160 N -0.16 -0.52 0.00 1.57 6.14 -0.92 -4.84 117.35 118.62 3i9e s TYR 160 Ca 0.65 1.11 0.00 0.00 0.64 0.00 0.00 57.07 59.47 3i9e s TYR 160 Cb -0.59 0.12 0.00 0.00 0.42 0.00 0.00 41.96 41.92 3i9e s TYR 160 CO 0.51 -0.35 0.00 0.41 0.64 0.00 0.00 175.55 176.76 3i9e n GLY 161 N 4.85 1.10 3.18 8.97 0.00 -1.26 -2.04 105.19 119.99 3i9e n GLY 161 Ca -0.15 -2.04 -0.15 0.00 0.00 0.00 0.00 46.02 43.68 3i9e n GLY 161 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3i9e n ALA 162 N 1.69 -1.86 -2.67 4.61 0.00 -0.82 -4.65 120.51 116.80 3i9e n ALA 162 Ca 0.00 -0.04 -0.14 0.00 0.00 0.00 0.00 53.44 53.26 3i9e n ALA 162 Cb 0.00 -2.48 -0.11 0.00 0.00 0.00 0.00 19.45 16.85 3i9e n ALA 162 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 177.50 175.67 3i9e s GLU 163 N -5.15 0.68 -0.08 0.00 -1.05 -1.26 -4.86 118.70 106.98 3i9e s GLU 163 Ca 0.03 -0.94 -0.30 0.00 -0.15 0.00 0.00 54.97 53.62 3i9e s GLU 163 Cb -0.00 -0.42 -0.05 0.00 -0.44 0.00 0.00 34.13 33.21 3i9e s GLU 163 CO 0.66 0.07 1.65 0.50 0.95 0.00 0.00 175.26 179.09 3i9e s ARG 164 N -2.12 4.10 0.02 -4.83 3.52 -1.26 -1.72 118.95 116.66 3i9e s ARG 164 Ca -0.03 2.09 0.06 0.00 -0.13 0.00 0.00 55.73 57.73 3i9e s ARG 164 Cb -0.07 -4.00 -0.02 0.00 -1.56 0.00 0.00 34.95 29.31 3i9e s ARG 164 CO 0.00 -0.94 -0.18 0.08 -0.81 0.00 0.00 175.30 173.45 3i9e s VAL 165 N 4.30 1.43 -0.06 7.11 1.01 0.11 -4.95 120.40 129.35 3i9e s VAL 165 Ca 0.73 -1.00 0.04 0.00 0.00 0.00 0.00 61.98 61.75 3i9e s VAL 165 Cb -0.32 -1.24 0.00 0.00 0.00 0.00 0.00 36.38 34.83 3i9e s VAL 165 CO 0.29 0.22 -0.17 -0.89 0.00 0.00 0.00 175.10 174.56 3i9e s THR 166 N -0.68 1.43 -0.13 3.92 2.01 -1.26 0.01 115.64 120.94 3i9e s THR 166 Ca 0.06 -0.68 0.01 0.00 0.31 0.00 0.00 61.69 61.38 3i9e s THR 166 Cb -0.08 -1.26 -0.01 0.00 0.01 0.00 0.00 72.50 71.17 3i9e s THR 166 CO 0.01 0.42 -0.15 0.54 -0.69 0.00 0.00 174.62 174.74 3i9e s VAL 167 N 0.32 2.78 0.17 3.82 0.11 -0.85 -5.03 120.40 121.72 3i9e s VAL 167 Ca -0.10 -0.75 0.01 0.00 -2.93 0.00 0.00 61.98 58.21 3i9e s VAL 167 Cb -0.14 -2.16 0.03 0.00 -1.53 0.00 0.00 36.38 32.58 3i9e s VAL 167 CO 0.04 0.52 0.24 0.23 -3.33 0.00 0.00 175.10 172.80 3i9e n MET 168 N 3.71 0.62 -1.22 1.54 2.81 -1.26 -2.27 117.12 121.05 3i9e n MET 168 Ca -0.19 -0.74 0.00 0.00 -1.81 0.00 0.00 57.70 54.97 3i9e n MET 168 Cb 0.52 -0.13 0.00 0.00 -0.71 0.00 0.00 33.22 32.91 3i9e n MET 168 CO 0.00 0.00 0.00 -1.71 1.51 0.00 0.00 175.97 175.77 3i9e n ASN 169 N -2.92 -0.36 -4.70 7.83 5.15 -1.02 -4.86 115.26 114.38 3i9e n ASN 169 Ca 0.04 0.18 -0.42 0.00 -0.60 0.00 0.00 54.58 53.78 3i9e n ASN 169 Cb 0.15 -0.39 -0.03 0.00 -0.53 0.00 0.00 39.78 38.98 3i9e n ASN 169 CO 0.00 0.00 0.00 -0.76 1.40 0.00 0.00 177.26 177.90 3i9e s LEU 170 N -1.94 4.36 0.12 1.20 1.43 -0.71 -4.68 118.68 118.46 3i9e s LEU 170 Ca 0.00 2.50 -0.31 0.00 -1.03 0.00 0.00 54.13 55.29 3i9e s LEU 170 Cb 0.00 -3.57 -0.07 0.00 0.03 0.00 0.00 46.19 42.58 3i9e s LEU 170 CO 0.00 -0.86 1.29 -0.70 0.23 0.00 0.00 176.35 176.31 3i9e s GLU 171 N 2.23 4.39 -0.78 1.70 2.12 -1.26 -0.82 118.70 126.27 3i9e s GLU 171 Ca 0.72 1.95 -0.25 0.00 0.36 0.00 0.00 54.97 57.75 3i9e s GLU 171 Cb -0.40 -3.27 0.05 0.00 0.26 0.00 0.00 34.13 30.76 3i9e s GLU 171 CO 0.32 -0.31 1.22 0.08 -0.54 0.00 0.00 175.26 176.03 3i9e s VAL 172 N 0.81 3.97 0.08 3.70 1.01 -0.30 -3.79 120.40 125.88 3i9e s VAL 172 Ca 0.60 -0.11 -0.25 0.00 0.00 0.00 0.00 61.98 62.22 3i9e s VAL 172 Cb -0.34 -4.88 -0.16 0.00 0.00 0.00 0.00 36.38 31.00 3i9e s VAL 172 CO 0.32 -1.75 1.68 0.58 0.00 0.00 0.00 175.10 175.92 3i9e h VAL 173 N 6.14 0.87 -2.29 2.92 2.07 -1.23 -0.57 116.25 124.16 3i9e h VAL 173 Ca -0.17 -0.07 0.01 0.00 0.82 0.00 0.00 66.70 67.29 3i9e h VAL 173 Cb 1.05 0.92 0.00 0.00 -1.52 0.00 0.00 31.29 31.74 3i9e h VAL 173 CO 1.27 0.02 0.15 -0.67 0.02 0.00 0.00 177.57 178.36 3i9e n ASP 174 N -5.16 -0.88 -3.57 0.57 4.64 -0.95 -4.46 116.55 106.73 3i9e n ASP 174 Ca -0.08 -1.58 -0.01 0.00 -1.38 0.00 0.00 54.79 51.73 3i9e n ASP 174 Cb 0.12 1.46 -0.06 0.00 -1.04 0.00 0.00 41.12 41.60 3i9e n ASP 174 CO 0.00 0.00 0.00 0.54 -0.82 0.00 0.00 177.20 176.92 3i9e s VAL 175 N -2.56 -0.21 -0.71 5.18 0.11 -1.26 -1.63 120.40 119.32 3i9e s VAL 175 Ca 0.07 0.00 -0.11 0.00 -2.93 0.00 0.00 61.98 59.01 3i9e s VAL 175 Cb -0.02 -1.00 0.18 0.00 -1.53 0.00 0.00 36.38 34.02 3i9e s VAL 175 CO 0.04 0.00 0.61 -0.63 -3.33 0.00 0.00 175.10 171.80 3i9e s ILE 176 N 1.79 4.99 0.31 7.04 1.09 -1.07 -4.93 121.20 130.43 3i9e s ILE 176 Ca -0.07 -2.37 0.29 0.00 -1.10 0.00 0.00 60.65 57.40 3i9e s ILE 176 Cb -0.05 -4.15 0.29 0.00 -1.06 0.00 0.00 42.46 37.49 3i9e s ILE 176 CO -0.16 -0.95 1.87 1.55 -0.10 0.00 0.00 174.94 177.16 3i9e h PRO 177 N 7.84 0.00 -0.30 2.79 0.13 -1.92 -1.90 132.00 138.64 3i9e h PRO 177 Ca -0.01 0.00 -0.09 0.00 -0.87 0.00 0.00 66.00 65.03 3i9e h PRO 177 Cb 1.03 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.16 3i9e h PRO 177 CO 0.79 0.00 -0.16 0.93 -0.23 0.00 0.00 178.00 179.33 3i9e h GLU 178 N 0.00 0.64 -0.39 0.86 3.07 -1.94 -3.25 114.58 113.57 3i9e h GLU 178 Ca 0.00 -0.29 0.00 0.00 -0.50 0.00 0.00 59.36 58.57 3i9e h GLU 178 Cb 0.27 -0.01 0.00 0.00 -0.84 0.00 0.00 28.75 28.17 3i9e h GLU 178 CO 0.00 0.87 0.00 -1.91 -1.40 0.00 0.00 179.01 176.57 3i9e n GLU 179 N -4.38 2.99 -0.56 2.33 4.07 -0.82 -4.93 120.64 119.34 3i9e n GLU 179 Ca -0.03 -2.39 0.00 0.00 -0.06 0.00 0.00 57.16 54.68 3i9e n GLU 179 Cb 0.39 -1.51 0.00 0.00 -0.06 0.00 0.00 31.44 30.26 3i9e n GLU 179 CO 0.00 0.00 0.00 0.09 -0.06 0.00 0.00 177.13 177.16 3i9e n ASN 180 N 0.42 0.00 -4.63 4.31 3.02 -0.78 -4.86 115.26 112.75 3i9e n ASN 180 Ca 0.17 0.00 -0.34 0.00 -0.03 0.00 0.00 54.58 54.38 3i9e n ASN 180 Cb 0.61 -1.47 0.12 0.00 -0.61 0.00 0.00 39.78 38.43 3i9e n ASN 180 CO 0.00 0.00 0.00 0.18 -2.62 0.00 0.00 177.26 174.82 3i9e n LEU 181 N 0.00 3.35 -3.67 3.41 7.99 -1.08 -0.75 117.00 126.26 3i9e n LEU 181 Ca 0.00 0.55 -0.08 0.00 -0.01 0.00 0.00 56.01 56.46 3i9e n LEU 181 Cb 0.00 -1.44 -0.09 0.00 -0.11 0.00 0.00 43.42 41.78 3i9e n LEU 181 CO 0.00 -2.13 0.16 -0.22 -1.51 0.00 0.00 177.39 173.68 3i9e s LEU 182 N -4.52 -0.50 -0.12 2.23 2.96 0.13 -2.59 118.68 116.28 3i9e s LEU 182 Ca 0.70 1.15 -0.01 0.00 -0.22 0.00 0.00 54.13 55.75 3i9e s LEU 182 Cb -0.29 1.74 -0.02 0.00 0.50 0.00 0.00 46.19 48.12 3i9e s LEU 182 CO 0.54 -0.21 -0.09 -0.76 -1.32 0.00 0.00 176.35 174.51 3i9e s LEU 183 N 1.72 2.99 0.00 -0.68 1.02 -0.64 -0.53 118.68 122.55 3i9e s LEU 183 Ca -0.09 -0.18 0.00 0.00 0.02 0.00 0.00 54.13 53.88 3i9e s LEU 183 Cb -0.08 -1.68 0.00 0.00 0.02 0.00 0.00 46.19 44.45 3i9e s LEU 183 CO -0.15 0.22 0.00 1.33 0.02 0.00 0.00 176.35 177.77 3i9e n VAL 184 N 3.15 0.00 -3.11 -1.59 0.24 -1.20 -0.83 118.33 114.99 3i9e n VAL 184 Ca -0.18 0.00 -0.25 0.00 -2.04 0.00 0.00 64.34 61.88 3i9e n VAL 184 Cb 0.53 0.00 -0.05 0.00 -1.47 0.00 0.00 33.84 32.85 3i9e n VAL 184 CO 0.00 0.00 0.00 0.29 -2.14 0.00 0.00 176.83 174.98 3i9e n LYS 185 N 0.00 2.36 0.00 7.34 4.76 -1.25 -3.78 118.16 127.59 3i9e n LYS 185 Ca 0.00 -4.34 0.00 0.00 -2.87 0.00 0.00 58.31 51.10 3i9e n LYS 185 Cb 0.00 -2.03 0.00 0.00 -1.84 0.00 0.00 35.03 31.16 3i9e n LYS 185 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 3i9e n GLY 186 N 0.21 0.04 0.00 0.72 0.00 -1.19 -4.65 105.19 100.33 3i9e n GLY 186 Ca 0.29 -0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.30 3i9e n GLY 186 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3i9e n ALA 187 N 0.00 0.00 -2.65 4.61 0.00 -1.26 -4.71 120.51 116.50 3i9e n ALA 187 Ca 0.00 0.00 -0.42 0.00 0.00 0.00 0.00 53.44 53.02 3i9e n ALA 187 Cb 0.00 0.00 -0.03 0.00 0.00 0.00 0.00 19.45 19.42 3i9e n ALA 187 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 3i9e s VAL 188 N -0.72 4.78 0.00 0.00 0.11 -1.26 -4.85 120.40 118.46 3i9e s VAL 188 Ca 0.00 1.76 0.00 0.00 -2.93 0.00 0.00 61.98 60.81 3i9e s VAL 188 Cb 0.00 -4.20 0.00 0.00 -1.53 0.00 0.00 36.38 30.65 3i9e s VAL 188 CO 0.00 -0.11 0.00 -0.81 -3.33 0.00 0.00 175.10 170.85 3i9e n PRO 189 N 6.10 2.54 -0.51 1.54 -0.04 -1.26 -4.98 135.00 138.39 3i9e n PRO 189 Ca 0.08 0.00 0.01 0.00 -0.04 0.00 0.00 63.50 63.55 3i9e n PRO 189 Cb 0.47 0.00 -0.00 0.00 -0.04 0.00 0.00 33.50 33.93 3i9e n PRO 189 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 3i9e n GLY 190 N 0.00 -0.15 3.98 0.55 0.00 -1.17 -4.95 105.19 103.45 3i9e n GLY 190 Ca 0.00 -0.06 -0.24 0.00 0.00 0.00 0.00 46.02 45.72 3i9e n GLY 190 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 3i9e s PRO 191 N -2.83 1.68 0.36 1.61 0.04 -1.26 -4.87 135.00 129.74 3i9e s PRO 191 Ca 0.00 -0.90 -0.26 0.00 0.04 0.00 0.00 61.00 59.87 3i9e s PRO 191 Cb 0.00 -2.27 -0.09 0.00 0.04 0.00 0.00 34.50 32.18 3i9e s PRO 191 CO 0.00 -1.48 1.14 -0.80 0.04 0.00 0.00 177.00 175.90 3i9e s ASN 192 N -4.70 6.77 0.00 6.66 0.02 -1.26 -2.61 114.94 119.81 3i9e s ASN 192 Ca 0.66 2.30 0.00 0.00 -1.02 0.00 0.00 52.86 54.80 3i9e s ASN 192 Cb -0.06 -2.62 0.00 0.00 0.02 0.00 0.00 41.25 38.59 3i9e s ASN 192 CO 0.45 -0.50 0.00 0.61 0.02 0.00 0.00 177.10 177.68 3i9e n GLY 193 N 0.74 2.89 3.74 0.66 0.00 -1.12 -5.00 105.19 107.10 3i9e n GLY 193 Ca 0.03 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.72 3i9e n GLY 193 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 3i9e s GLY 194 N -1.15 2.00 0.21 -0.02 0.00 -1.07 -4.78 107.32 102.51 3i9e s GLY 194 Ca 0.00 0.57 -0.15 0.00 0.00 0.00 0.00 44.72 45.14 3i9e s GLY 194 CO 0.00 0.95 0.63 -2.27 0.00 0.00 0.00 173.10 172.40 3i9e s LEU 195 N -5.51 4.26 0.13 0.66 2.96 -1.26 -3.97 118.68 115.94 3i9e s LEU 195 Ca 0.67 1.18 -0.01 0.00 -0.22 0.00 0.00 54.13 55.75 3i9e s LEU 195 Cb -0.22 -3.57 -0.04 0.00 0.50 0.00 0.00 46.19 42.86 3i9e s LEU 195 CO 0.49 -0.00 0.05 0.68 -1.32 0.00 0.00 176.35 176.25 3i9e s VAL 196 N -1.63 0.13 0.05 1.68 -7.23 -0.36 -4.06 120.40 108.97 3i9e s VAL 196 Ca 0.44 -1.91 0.05 0.00 -1.81 0.00 0.00 61.98 58.75 3i9e s VAL 196 Cb -0.14 -2.01 -0.02 0.00 0.56 0.00 0.00 36.38 34.76 3i9e s VAL 196 CO 0.20 -0.50 -0.14 0.27 -0.31 0.00 0.00 175.10 174.62 3i9e s ILE 197 N -4.03 1.10 -0.26 -0.62 -4.36 -0.59 -2.09 121.20 110.35 3i9e s ILE 197 Ca 0.23 -1.14 0.03 0.00 -0.26 0.00 0.00 60.65 59.51 3i9e s ILE 197 Cb 0.07 -1.03 0.07 0.00 1.25 0.00 0.00 42.46 42.82 3i9e s ILE 197 CO 0.01 -0.10 -0.07 -0.69 0.24 0.00 0.00 174.94 174.32 3i9e s VAL 198 N -1.04 2.01 0.60 8.37 1.01 -0.33 -1.43 120.40 129.58 3i9e s VAL 198 Ca -0.00 -1.62 0.07 0.00 0.00 0.00 0.00 61.98 60.42 3i9e s VAL 198 Cb -0.09 -2.20 0.09 0.00 0.00 0.00 0.00 36.38 34.18 3i9e s VAL 198 CO 0.02 -0.13 0.83 -0.13 0.00 0.00 0.00 175.10 175.69 3i9e s ARG 199 N 1.16 2.18 0.21 2.72 0.52 -0.57 -3.47 118.95 121.69 3i9e s ARG 199 Ca -0.05 -1.45 -0.10 0.00 -0.52 0.00 0.00 55.73 53.61 3i9e s ARG 199 Cb -0.20 -2.57 -0.07 0.00 0.52 0.00 0.00 34.95 32.63 3i9e s ARG 199 CO -0.06 -0.97 0.54 -2.00 0.02 0.00 0.00 175.30 172.83 3i9e s GLU 200 N -4.77 3.82 0.10 3.54 -6.30 -1.03 -2.24 118.70 111.82 3i9e s GLU 200 Ca 0.62 0.29 -0.34 0.00 -2.50 0.00 0.00 54.97 53.04 3i9e s GLU 200 Cb -0.06 -2.71 -0.14 0.00 0.00 0.00 0.00 34.13 31.22 3i9e s GLU 200 CO 0.40 0.36 1.60 2.41 0.02 0.00 0.00 175.26 180.04 3i9e n THR 201 N 0.05 0.10 0.73 -1.70 -1.04 -0.79 -4.56 114.28 107.07 3i9e n THR 201 Ca -0.01 -0.02 0.10 0.00 -2.04 0.00 0.00 64.05 62.08 3i9e n THR 201 Cb 0.52 -1.49 0.45 0.00 -1.82 0.00 0.00 70.33 67.99 3i9e n THR 201 CO 0.00 0.00 0.00 1.17 -0.64 0.00 0.00 175.07 175.60 3i9e n LYS 202 N 3.83 0.03 -0.54 -2.82 3.00 -1.26 -3.94 118.16 116.46 3i9e n LYS 202 Ca 0.18 0.14 0.44 0.00 -0.00 0.00 0.00 58.31 59.07 3i9e n LYS 202 Cb 0.27 -1.50 0.72 0.00 0.00 0.00 0.00 35.03 34.52 3i9e n LYS 202 CO 0.00 0.00 0.00 -0.22 0.00 0.00 0.00 177.40 177.18 3i9e h LYS 203 N 0.00 0.02 0.00 1.64 1.63 -1.96 -3.43 116.57 114.47 3i9e h LYS 203 Ca 0.00 -0.00 0.00 0.00 -0.85 0.00 0.00 60.65 59.80 3i9e h LYS 203 Cb 0.34 -0.00 0.00 0.00 -0.60 0.00 0.00 32.23 31.97 3i9e h LYS 203 CO 0.00 0.01 0.00 0.00 -3.45 0.00 0.00 179.45 176.01 3i9e n ALA 204 N -2.65 0.00 0.00 5.00 0.00 -1.25 -5.20 120.51 116.42 3i9e n ALA 204 Ca 0.41 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.85 3i9e n ALA 204 Cb 1.67 0.00 0.00 0.00 0.00 0.00 0.00 19.45 21.12 3i9e n ALA 204 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50