#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1uay s ARG 3 N 0.00 0.90 0.31 5.31 1.81 -1.26 -4.19 118.95 121.84 1uay s ARG 3 Ca 0.00 -1.22 0.08 0.00 -1.72 0.00 0.00 55.73 52.87 1uay s ARG 3 Cb 0.00 -0.59 -0.03 0.00 -0.45 0.00 0.00 34.95 33.88 1uay s ARG 3 CO 0.00 0.09 0.23 -1.54 -0.68 0.00 0.00 175.30 173.40 1uay s SER 4 N -2.57 5.20 0.02 0.23 1.04 0.01 -1.21 113.70 116.42 1uay s SER 4 Ca 0.08 -0.49 0.00 0.00 0.48 0.00 0.00 55.95 56.01 1uay s SER 4 Cb -0.02 -1.02 -0.02 0.00 0.10 0.00 0.00 66.02 65.06 1uay s SER 4 CO 0.00 -0.25 -0.03 0.00 0.98 0.00 0.00 173.24 173.94 1uay s ALA 5 N -2.29 0.14 -0.14 5.32 0.00 -0.31 -1.64 121.76 122.85 1uay s ALA 5 Ca 0.38 -0.55 0.01 0.00 0.00 0.00 0.00 51.96 51.81 1uay s ALA 5 Cb -0.06 0.13 0.02 0.00 0.00 0.00 0.00 23.12 23.21 1uay s ALA 5 CO 0.25 -0.14 -0.18 -1.17 0.00 0.00 0.00 175.76 174.52 1uay s LEU 6 N -1.34 1.93 -0.20 0.00 2.96 0.11 -0.78 118.68 121.36 1uay s LEU 6 Ca -0.14 -0.55 0.01 0.00 -0.22 0.00 0.00 54.13 53.23 1uay s LEU 6 Cb -0.09 -1.31 0.04 0.00 0.50 0.00 0.00 46.19 45.32 1uay s LEU 6 CO -0.01 0.02 -0.13 -0.69 -1.32 0.00 0.00 176.35 174.22 1uay s VAL 7 N 1.11 1.83 0.20 1.68 1.01 -0.24 -0.55 120.40 125.44 1uay s VAL 7 Ca -0.02 -1.07 -0.17 0.00 0.00 0.00 0.00 61.98 60.72 1uay s VAL 7 Cb -0.14 -1.83 -0.08 0.00 0.00 0.00 0.00 36.38 34.33 1uay s VAL 7 CO -0.06 0.25 0.65 0.42 0.00 0.00 0.00 175.10 176.36 1uay s THR 8 N 1.32 4.70 -0.22 3.92 -4.23 -0.08 -1.47 115.64 119.59 1uay s THR 8 Ca -0.01 1.06 0.00 0.00 -1.18 0.00 0.00 61.69 61.56 1uay s THR 8 Cb -0.16 -3.79 0.00 0.00 1.34 0.00 0.00 72.50 69.90 1uay s THR 8 CO -0.09 0.19 0.00 0.61 -0.54 0.00 0.00 174.62 174.79 1uay n GLY 9 N 0.67 0.55 0.00 3.99 0.00 0.23 -1.84 105.19 108.79 1uay n GLY 9 Ca -0.03 -0.73 0.09 0.00 0.00 0.00 0.00 46.02 45.35 1uay n GLY 9 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1uay n GLY 10 N -2.62 -0.58 0.21 -0.02 0.00 -1.24 -3.23 105.19 97.71 1uay n GLY 10 Ca -0.02 -0.11 0.10 0.00 0.00 0.00 0.00 46.02 45.99 1uay n GLY 10 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1uay h ALA 11 N 3.15 0.93 -2.99 4.61 0.00 -1.88 -3.26 119.26 119.82 1uay h ALA 11 Ca 0.00 -0.16 -0.01 0.00 0.00 0.00 0.00 54.91 54.74 1uay h ALA 11 Cb 0.00 -0.03 -0.02 0.00 0.00 0.00 0.00 17.79 17.74 1uay h ALA 11 CO 0.00 0.22 0.22 -1.54 0.00 0.00 0.00 179.25 178.15 1uay s SER 12 N -6.16 -0.03 0.83 0.00 1.04 -1.20 -4.86 113.70 103.32 1uay s SER 12 Ca 0.03 -0.99 0.00 0.00 0.48 0.00 0.00 55.95 55.47 1uay s SER 12 Cb 0.08 0.80 0.00 0.00 0.10 0.00 0.00 66.02 66.99 1uay s SER 12 CO 0.65 -1.55 0.00 0.61 0.98 0.00 0.00 173.24 173.94 1uay n GLY 13 N -0.51 3.00 0.15 7.32 0.00 -1.26 -1.92 105.19 111.96 1uay n GLY 13 Ca -0.06 -0.03 -0.09 0.00 0.00 0.00 0.00 46.02 45.84 1uay n GLY 13 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 1uay h LEU 14 N 0.00 0.37 -0.70 0.99 3.38 -1.88 -2.06 115.31 115.41 1uay h LEU 14 Ca 0.00 -0.07 0.00 0.00 0.09 0.00 0.00 57.88 57.91 1uay h LEU 14 Cb 0.00 -0.09 -0.03 0.00 0.09 0.00 0.00 40.66 40.62 1uay h LEU 14 CO 0.00 0.33 0.45 1.23 0.09 0.00 0.00 178.44 180.54 1uay h GLY 15 N 0.38 1.00 0.95 0.83 0.00 -1.64 -1.13 103.07 103.46 1uay h GLY 15 Ca 0.11 -0.39 0.01 0.00 0.00 0.00 0.00 47.33 47.06 1uay h GLY 15 CO -0.02 0.38 0.18 -0.09 0.00 0.00 0.00 176.54 176.99 1uay h ARG 16 N 0.95 0.36 -0.61 4.80 2.43 -1.19 0.23 114.38 121.34 1uay h ARG 16 Ca 0.26 -0.02 -0.01 0.00 -0.81 0.00 0.00 59.98 59.40 1uay h ARG 16 Cb -0.08 -0.08 -0.03 0.00 -0.42 0.00 0.00 29.97 29.36 1uay h ARG 16 CO -0.05 0.24 0.35 0.00 -1.51 0.00 0.00 179.97 179.00 1uay h ALA 17 N 1.13 0.79 -0.52 2.80 0.00 -1.00 -0.95 119.26 121.50 1uay h ALA 17 Ca 0.11 -0.09 -0.02 0.00 0.00 0.00 0.00 54.91 54.91 1uay h ALA 17 Cb -0.01 -0.25 -0.02 0.00 0.00 0.00 0.00 17.79 17.51 1uay h ALA 17 CO -0.05 0.29 0.23 0.00 0.00 0.00 0.00 179.25 179.72 1uay h ALA 18 N 1.17 0.67 -0.40 0.00 0.00 -0.88 -0.81 119.26 119.01 1uay h ALA 18 Ca 0.22 -0.14 0.00 0.00 0.00 0.00 0.00 54.91 54.99 1uay h ALA 18 Cb 0.01 -0.20 -0.02 0.00 0.00 0.00 0.00 17.79 17.58 1uay h ALA 18 CO -0.04 0.25 0.25 0.00 0.00 0.00 0.00 179.25 179.72 1uay h ALA 19 N 1.07 0.50 -0.63 0.00 0.00 -0.57 -0.19 119.26 119.45 1uay h ALA 19 Ca 0.18 -0.04 -0.08 0.00 0.00 0.00 0.00 54.91 54.96 1uay h ALA 19 Cb 0.15 -0.16 -0.02 0.00 0.00 0.00 0.00 17.79 17.76 1uay h ALA 19 CO -0.02 -0.03 0.07 -0.07 0.00 0.00 0.00 179.25 179.20 1uay h LEU 20 N 0.53 1.01 -0.60 0.00 3.38 -1.01 -1.06 115.31 117.56 1uay h LEU 20 Ca 0.14 -0.25 -0.10 0.00 0.09 0.00 0.00 57.88 57.76 1uay h LEU 20 Cb -0.04 -0.27 -0.02 0.00 0.09 0.00 0.00 40.66 40.42 1uay h LEU 20 CO -0.03 1.02 -0.01 0.00 0.09 0.00 0.00 178.44 179.51 1uay h ALA 21 N 1.09 0.81 -0.48 1.53 0.00 -0.86 -1.34 119.26 120.00 1uay h ALA 21 Ca 0.19 -0.32 -0.10 0.00 0.00 0.00 0.00 54.91 54.68 1uay h ALA 21 Cb 0.47 -0.22 -0.02 0.00 0.00 0.00 0.00 17.79 18.02 1uay h ALA 21 CO 0.02 0.66 -0.11 -0.07 0.00 0.00 0.00 179.25 179.75 1uay h LEU 22 N 0.96 0.87 -0.41 0.00 3.38 -0.83 -1.44 115.31 117.84 1uay h LEU 22 Ca 0.17 -0.27 -0.03 0.00 0.09 0.00 0.00 57.88 57.84 1uay h LEU 22 Cb 0.57 -0.24 -0.02 0.00 0.09 0.00 0.00 40.66 41.07 1uay h LEU 22 CO 0.03 1.00 0.15 0.50 0.09 0.00 0.00 178.44 180.21 1uay h LYS 23 N 0.79 0.61 0.00 1.13 1.63 -0.95 -1.25 116.57 118.53 1uay h LYS 23 Ca 0.13 -0.12 -0.03 0.00 -0.85 0.00 0.00 60.65 59.78 1uay h LYS 23 Cb 0.62 -0.10 -0.00 0.00 -0.60 0.00 0.00 32.23 32.15 1uay h LYS 23 CO 0.04 0.58 -0.16 0.00 -3.45 0.00 0.00 179.45 176.46 1uay h ALA 24 N 1.00 1.58 0.00 5.00 0.00 -1.03 -1.54 119.26 124.28 1uay h ALA 24 Ca 0.13 -0.15 0.00 0.00 0.00 0.00 0.00 54.91 54.90 1uay h ALA 24 Cb 0.21 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 17.97 1uay h ALA 24 CO -0.01 0.20 0.00 -2.13 0.00 0.00 0.00 179.25 177.31 1uay n ARG 25 N -4.13 0.23 0.00 0.00 3.00 -0.56 -4.91 116.66 110.29 1uay n ARG 25 Ca -0.02 0.27 0.00 0.00 -0.00 0.00 0.00 57.85 58.09 1uay n ARG 25 Cb 0.24 -1.81 0.00 0.00 0.00 0.00 0.00 32.46 30.89 1uay n ARG 25 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.63 178.04 1uay n GLY 26 N 0.92 0.86 3.80 5.14 0.00 -0.58 -5.08 105.19 110.26 1uay n GLY 26 Ca 0.05 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.73 1uay n GLY 26 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1uay s TYR 27 N -2.00 3.11 -0.61 1.61 1.51 -0.53 -4.32 117.35 116.12 1uay s TYR 27 Ca 0.00 1.59 -0.22 0.00 -1.01 0.00 0.00 57.07 57.43 1uay s TYR 27 Cb 0.00 -3.00 0.07 0.00 -0.11 0.00 0.00 41.96 38.92 1uay s TYR 27 CO 0.00 -0.59 0.86 1.03 -1.11 0.00 0.00 175.55 175.74 1uay s ARG 28 N -3.19 3.13 -0.14 -0.62 1.81 -0.35 -4.35 118.95 115.24 1uay s ARG 28 Ca 0.65 -0.84 -0.16 0.00 -1.72 0.00 0.00 55.73 53.65 1uay s ARG 28 Cb -0.14 -4.19 -0.04 0.00 -0.45 0.00 0.00 34.95 30.13 1uay s ARG 28 CO 0.18 -1.62 0.41 0.08 -0.68 0.00 0.00 175.30 173.66 1uay s VAL 29 N 3.56 5.23 -0.12 3.52 1.01 -1.26 -1.16 120.40 131.19 1uay s VAL 29 Ca 0.20 0.79 0.01 0.00 0.00 0.00 0.00 61.98 62.99 1uay s VAL 29 Cb -0.18 -3.75 -0.01 0.00 0.00 0.00 0.00 36.38 32.44 1uay s VAL 29 CO 0.11 0.35 -0.16 -0.69 0.00 0.00 0.00 175.10 174.71 1uay s VAL 30 N 0.59 2.82 -0.14 2.92 1.01 0.04 -2.29 120.40 125.36 1uay s VAL 30 Ca 0.22 -0.75 -0.05 0.00 0.00 0.00 0.00 61.98 61.41 1uay s VAL 30 Cb -0.14 -2.16 -0.04 0.00 0.00 0.00 0.00 36.38 34.04 1uay s VAL 30 CO 0.08 0.54 0.02 -0.69 0.00 0.00 0.00 175.10 175.05 1uay s VAL 31 N 0.31 4.47 -0.21 2.92 1.01 0.12 -1.08 120.40 127.93 1uay s VAL 31 Ca -0.12 -0.16 -0.02 0.00 0.00 0.00 0.00 61.98 61.68 1uay s VAL 31 Cb -0.16 -2.95 0.01 0.00 0.00 0.00 0.00 36.38 33.27 1uay s VAL 31 CO 0.06 0.53 -0.09 -0.22 0.00 0.00 0.00 175.10 175.38 1uay s LEU 32 N -0.18 2.72 0.13 3.92 2.96 -0.54 -0.32 118.68 127.36 1uay s LEU 32 Ca 0.06 -0.56 -0.24 0.00 -0.22 0.00 0.00 54.13 53.16 1uay s LEU 32 Cb -0.12 -1.64 0.07 0.00 0.50 0.00 0.00 46.19 44.99 1uay s LEU 32 CO 0.02 -0.03 0.62 -0.62 -1.32 0.00 0.00 176.35 175.02 1uay s ASP 33 N 1.39 -0.57 0.52 3.68 -1.08 -1.01 -0.60 116.67 119.01 1uay s ASP 33 Ca 0.04 0.09 0.30 0.00 -0.52 0.00 0.00 52.55 52.47 1uay s ASP 33 Cb -0.14 0.58 1.41 0.00 -1.46 0.00 0.00 42.92 43.31 1uay s ASP 33 CO -0.07 -0.91 2.02 -0.07 0.52 0.00 0.00 175.17 176.67 1uay h LEU 34 N 2.13 0.00 -9.09 -1.34 3.38 -1.84 -0.95 115.31 107.61 1uay h LEU 34 Ca -0.33 0.00 -0.60 0.00 0.09 0.00 0.00 57.88 57.05 1uay h LEU 34 Cb 1.29 0.00 -0.16 0.00 0.09 0.00 0.00 40.66 41.88 1uay h LEU 34 CO 0.38 0.11 -0.78 -0.13 0.09 0.00 0.00 178.44 178.11 1uay s ARG 35 N -3.93 1.56 0.24 1.13 0.52 -1.26 -4.65 118.95 112.56 1uay s ARG 35 Ca -0.01 -1.64 0.10 0.00 -0.52 0.00 0.00 55.73 53.65 1uay s ARG 35 Cb 0.11 -1.68 -0.04 0.00 0.52 0.00 0.00 34.95 33.86 1uay s ARG 35 CO 0.57 0.33 -0.07 -0.98 0.02 0.00 0.00 175.30 175.17 1uay s ARG 36 N -3.20 2.10 0.00 3.54 1.70 -1.26 -4.69 118.95 117.14 1uay s ARG 36 Ca 0.25 -1.44 0.00 0.00 -0.47 0.00 0.00 55.73 54.07 1uay s ARG 36 Cb -0.06 -2.08 0.00 0.00 -0.57 0.00 0.00 34.95 32.24 1uay s ARG 36 CO 0.12 0.38 0.00 0.39 -1.08 0.00 0.00 175.30 175.11 1uay n GLU 37 N -0.56 1.42 -0.32 3.89 -0.58 -1.26 -5.07 120.64 118.15 1uay n GLU 37 Ca -0.07 0.00 0.09 0.00 -0.42 0.00 0.00 57.16 56.75 1uay n GLU 37 Cb 0.58 0.00 0.22 0.00 -0.57 0.00 0.00 31.44 31.67 1uay n GLU 37 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 1uay n GLY 38 N 1.85 4.19 3.90 0.62 0.00 -1.26 -5.03 105.19 109.46 1uay n GLY 38 Ca 0.00 -1.02 -0.29 0.00 0.00 0.00 0.00 46.02 44.71 1uay n GLY 38 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1uay s GLU 39 N -2.73 1.79 -1.40 1.61 0.41 -1.26 -4.92 118.70 112.20 1uay s GLU 39 Ca 0.38 0.08 -0.12 0.00 -0.41 0.00 0.00 54.97 54.90 1uay s GLU 39 Cb 0.31 -1.93 0.08 0.00 -1.78 0.00 0.00 34.13 30.81 1uay s GLU 39 CO 0.07 -1.71 2.15 -3.47 -0.49 0.00 0.00 175.26 171.81 1uay n ASP 40 N -3.39 4.64 -4.15 -0.19 2.03 -1.26 -4.85 116.55 109.38 1uay n ASP 40 Ca 0.09 -2.93 -0.10 0.00 0.52 0.00 0.00 54.79 52.37 1uay n ASP 40 Cb 0.61 -1.58 -0.10 0.00 -0.72 0.00 0.00 41.12 39.32 1uay n ASP 40 CO 0.00 0.00 0.00 -0.76 -1.92 0.00 0.00 177.20 174.52 1uay s LEU 41 N 1.16 2.20 -0.29 -2.67 1.43 -1.26 -5.00 118.68 114.25 1uay s LEU 41 Ca 0.46 -1.10 -0.18 0.00 -1.03 0.00 0.00 54.13 52.28 1uay s LEU 41 Cb 0.13 0.13 -0.02 0.00 0.03 0.00 0.00 46.19 46.45 1uay s LEU 41 CO -0.06 -0.61 0.51 -0.63 0.23 0.00 0.00 176.35 175.80 1uay s ILE 42 N -3.85 5.05 -0.25 -0.59 1.01 -0.97 -4.99 121.20 116.62 1uay s ILE 42 Ca 0.17 0.71 -0.09 0.00 0.00 0.00 0.00 60.65 61.44 1uay s ILE 42 Cb 0.07 -3.86 -0.04 0.00 0.01 0.00 0.00 42.46 38.64 1uay s ILE 42 CO -0.03 -0.00 0.12 -0.31 0.00 0.00 0.00 174.94 174.72 1uay s TYR 43 N 2.33 3.20 -0.25 3.97 2.02 -1.26 0.12 117.35 127.48 1uay s TYR 43 Ca 0.20 -0.05 -0.03 0.00 -0.37 0.00 0.00 57.07 56.82 1uay s TYR 43 Cb -0.16 -2.26 0.02 0.00 -0.40 0.00 0.00 41.96 39.16 1uay s TYR 43 CO 0.11 -0.13 -0.04 0.08 -1.57 0.00 0.00 175.55 174.00 1uay s VAL 44 N 1.35 3.16 -0.22 0.71 1.01 0.57 -4.96 120.40 122.02 1uay s VAL 44 Ca 0.06 -0.85 -0.24 0.00 0.00 0.00 0.00 61.98 60.96 1uay s VAL 44 Cb -0.15 -2.57 -0.01 0.00 0.00 0.00 0.00 36.38 33.65 1uay s VAL 44 CO 0.06 0.23 0.77 -1.61 0.00 0.00 0.00 175.10 174.55 1uay s GLU 45 N 1.39 4.21 0.02 2.72 2.02 -1.26 -2.40 118.70 125.40 1uay s GLU 45 Ca 0.02 0.85 -0.28 0.00 0.02 0.00 0.00 54.97 55.59 1uay s GLU 45 Cb -0.16 -3.61 0.09 0.00 0.10 0.00 0.00 34.13 30.55 1uay s GLU 45 CO -0.03 -0.40 1.24 0.20 0.02 0.00 0.00 175.26 176.29 1uay s GLY 46 N 1.28 -0.11 -0.17 -1.39 0.00 -0.36 -4.93 107.32 101.63 1uay s GLY 46 Ca 0.34 0.03 -0.02 0.00 0.00 0.00 0.00 44.72 45.07 1uay s GLY 46 CO 0.09 4.51 -0.08 -0.35 0.00 0.00 0.00 173.10 177.28 1uay s ASP 47 N -3.65 4.24 0.52 1.64 -1.08 -1.26 -2.86 116.67 114.22 1uay s ASP 47 Ca 0.27 -0.33 0.35 0.00 -0.52 0.00 0.00 52.55 52.32 1uay s ASP 47 Cb -0.00 -1.69 1.86 0.00 -1.46 0.00 0.00 42.92 41.62 1uay s ASP 47 CO 0.00 0.08 2.07 -0.37 0.52 0.00 0.00 175.17 177.47 1uay h VAL 48 N 5.51 0.00 -0.00 1.11 -1.51 -1.94 -0.80 116.25 118.62 1uay h VAL 48 Ca -0.34 -0.05 0.00 0.00 -1.23 0.00 0.00 66.70 65.08 1uay h VAL 48 Cb 1.18 0.87 0.00 0.00 -2.13 0.00 0.00 31.29 31.21 1uay h VAL 48 CO 0.59 0.00 -0.14 0.35 -1.23 0.00 0.00 177.57 177.14 1uay n THR 49 N -2.76 0.00 -3.66 7.19 -2.24 -1.26 -4.54 114.28 107.01 1uay n THR 49 Ca -0.02 -0.01 -0.38 0.00 -2.27 0.00 0.00 64.05 61.37 1uay n THR 49 Cb 0.09 -0.25 -0.12 0.00 -2.10 0.00 0.00 70.33 67.95 1uay n THR 49 CO 0.00 0.00 0.00 -0.13 -0.57 0.00 0.00 175.07 174.37 1uay s ARG 50 N -2.89 3.43 0.41 -0.78 0.52 -0.30 -4.97 118.95 114.37 1uay s ARG 50 Ca 0.17 -0.65 0.09 0.00 -0.52 0.00 0.00 55.73 54.81 1uay s ARG 50 Cb 0.19 -3.54 0.90 0.00 0.52 0.00 0.00 34.95 33.02 1uay s ARG 50 CO 0.56 -0.37 2.02 1.05 0.02 0.00 0.00 175.30 178.58 1uay h GLU 51 N 8.34 0.52 -0.75 3.54 4.11 -1.84 -1.78 114.58 126.72 1uay h GLU 51 Ca -0.33 -0.03 -0.04 0.00 0.07 0.00 0.00 59.36 59.02 1uay h GLU 51 Cb 1.15 -0.12 -0.03 0.00 0.50 0.00 0.00 28.75 30.25 1uay h GLU 51 CO 0.60 0.35 0.30 1.49 0.07 0.00 0.00 179.01 181.82 1uay h GLU 52 N 0.54 1.12 -0.32 1.06 4.81 -1.93 0.09 114.58 119.95 1uay h GLU 52 Ca 0.21 -0.20 -0.13 0.00 -0.13 0.00 0.00 59.36 59.11 1uay h GLU 52 Cb 0.18 -0.18 -0.00 0.00 0.63 0.00 0.00 28.75 29.37 1uay h GLU 52 CO -0.06 0.91 -0.32 -0.44 -0.73 0.00 0.00 179.01 178.38 1uay h ASP 53 N 1.10 0.82 -0.45 1.04 3.45 -1.61 -1.71 116.42 119.07 1uay h ASP 53 Ca 0.25 -0.47 -0.09 0.00 0.43 0.00 0.00 57.03 57.16 1uay h ASP 53 Cb 0.21 -0.23 -0.02 0.00 -0.56 0.00 0.00 39.33 38.73 1uay h ASP 53 CO -0.02 1.13 -0.05 0.58 -1.57 0.00 0.00 179.24 179.30 1uay h VAL 54 N 0.54 1.27 -0.71 -1.35 2.07 -1.25 -2.11 116.25 114.70 1uay h VAL 54 Ca 0.05 -1.14 -0.01 0.00 0.82 0.00 0.00 66.70 66.42 1uay h VAL 54 Cb 0.90 1.09 -0.03 0.00 -1.52 0.00 0.00 31.29 31.72 1uay h VAL 54 CO 0.08 0.39 0.41 0.03 0.02 0.00 0.00 177.57 178.50 1uay h ARG 55 N 0.67 0.97 -0.55 1.57 3.08 -0.92 -0.00 114.38 119.20 1uay h ARG 55 Ca 0.12 -0.09 -0.08 0.00 0.07 0.00 0.00 59.98 59.99 1uay h ARG 55 Cb 0.58 -0.20 -0.02 0.00 0.08 0.00 0.00 29.97 30.40 1uay h ARG 55 CO 0.03 0.70 0.01 -0.09 -1.07 0.00 0.00 179.97 179.55 1uay h ARG 56 N 0.98 0.96 -0.42 0.04 2.43 -1.05 -1.59 114.38 115.73 1uay h ARG 56 Ca 0.25 -0.30 -0.11 0.00 -0.81 0.00 0.00 59.98 59.02 1uay h ARG 56 Cb -0.01 -0.09 -0.01 0.00 -0.42 0.00 0.00 29.97 29.44 1uay h ARG 56 CO -0.04 0.96 -0.15 0.00 -1.51 0.00 0.00 179.97 179.23 1uay h ALA 57 N 0.97 0.59 -0.34 2.80 0.00 -0.82 -1.15 119.26 121.31 1uay h ALA 57 Ca 0.16 -0.35 -0.01 0.00 0.00 0.00 0.00 54.91 54.71 1uay h ALA 57 Cb 0.52 -0.15 -0.02 0.00 0.00 0.00 0.00 17.79 18.15 1uay h ALA 57 CO 0.03 0.51 0.16 0.28 0.00 0.00 0.00 179.25 180.23 1uay h VAL 58 N 0.67 1.16 -0.74 0.00 2.07 -0.92 -1.65 116.25 116.83 1uay h VAL 58 Ca 0.10 -0.46 -0.05 0.00 0.82 0.00 0.00 66.70 67.11 1uay h VAL 58 Cb 0.70 0.85 -0.03 0.00 -1.52 0.00 0.00 31.29 31.29 1uay h VAL 58 CO 0.05 0.17 0.26 0.00 0.02 0.00 0.00 177.57 178.07 1uay h ALA 59 N 1.01 1.06 -0.83 1.67 0.00 -1.23 -1.23 119.26 119.72 1uay h ALA 59 Ca 0.12 -0.21 0.00 0.00 0.00 0.00 0.00 54.91 54.82 1uay h ALA 59 Cb 0.12 -0.29 -0.04 0.00 0.00 0.00 0.00 17.79 17.58 1uay h ALA 59 CO -0.01 0.65 0.53 -0.09 0.00 0.00 0.00 179.25 180.32 1uay h ARG 60 N 1.09 1.10 -0.30 0.00 9.65 -0.90 -0.86 114.38 124.16 1uay h ARG 60 Ca 0.24 -0.08 -0.03 0.00 -1.10 0.00 0.00 59.98 59.01 1uay h ARG 60 Cb 0.26 -0.24 -0.01 0.00 -1.39 0.00 0.00 29.97 28.58 1uay h ARG 60 CO -0.01 0.75 0.06 0.00 2.80 0.00 0.00 179.97 183.56 1uay h ALA 61 N 1.29 0.40 0.00 2.80 0.00 -0.87 -2.71 119.26 120.17 1uay h ALA 61 Ca 0.30 -0.19 -0.01 0.00 0.00 0.00 0.00 54.91 55.01 1uay h ALA 61 Cb -0.09 -0.12 -0.00 0.00 0.00 0.00 0.00 17.79 17.58 1uay h ALA 61 CO -0.06 0.08 -0.06 1.96 0.00 0.00 0.00 179.25 181.17 1uay h GLN 62 N 0.33 0.00 0.00 0.00 4.20 -0.73 -0.44 115.11 118.46 1uay h GLN 62 Ca 0.09 0.00 -0.08 0.00 0.06 0.00 0.00 58.65 58.72 1uay h GLN 62 Cb 0.32 0.00 -0.01 0.00 0.30 0.00 0.00 27.48 28.09 1uay h GLN 62 CO 0.00 0.06 -0.37 0.93 -0.67 0.00 0.00 178.83 178.78 1uay h GLU 63 N 0.00 0.00 0.20 1.46 5.08 -0.84 -3.20 114.58 117.28 1uay h GLU 63 Ca -0.00 0.00 -0.28 0.00 -1.00 0.00 0.00 59.36 58.08 1uay h GLU 63 Cb 0.18 0.00 0.03 0.00 0.50 0.00 0.00 28.75 29.46 1uay h GLU 63 CO 0.01 0.37 -1.24 0.93 -1.00 0.00 0.00 179.01 178.09 1uay h GLU 64 N 0.00 0.48 0.00 2.33 4.39 -1.02 -3.50 114.58 117.26 1uay h GLU 64 Ca -0.00 -0.79 0.00 0.00 0.34 0.00 0.00 59.36 58.91 1uay h GLU 64 Cb 0.87 0.29 0.00 0.00 -0.10 0.00 0.00 28.75 29.81 1uay h GLU 64 CO 0.05 1.37 0.00 0.00 -1.16 0.00 0.00 179.01 179.27 1uay n ALA 65 N -2.70 0.00 -1.67 3.43 0.00 -0.97 -4.94 120.51 113.66 1uay n ALA 65 Ca -0.16 0.00 -0.46 0.00 0.00 0.00 0.00 53.44 52.83 1uay n ALA 65 Cb 1.00 0.00 -0.04 0.00 0.00 0.00 0.00 19.45 20.41 1uay n ALA 65 CO 0.00 0.00 0.00 -2.30 0.00 0.00 0.00 177.50 175.20 1uay n PRO 66 N -0.04 2.23 -2.28 0.00 -0.02 -1.26 -3.99 135.00 129.65 1uay n PRO 66 Ca 0.00 0.80 -0.43 0.00 -2.02 0.00 0.00 63.50 61.86 1uay n PRO 66 Cb 0.00 -2.59 -0.02 0.00 -0.02 0.00 0.00 33.50 30.87 1uay n PRO 66 CO 0.00 0.00 0.00 -1.17 1.98 0.00 0.00 175.50 176.31 1uay s LEU 67 N 1.12 4.04 -0.08 2.45 2.96 -1.26 -0.81 118.68 127.10 1uay s LEU 67 Ca 0.79 1.62 -0.03 0.00 -0.22 0.00 0.00 54.13 56.30 1uay s LEU 67 Cb -0.66 -3.54 -0.04 0.00 0.50 0.00 0.00 46.19 42.46 1uay s LEU 67 CO 0.38 -1.01 -0.09 0.33 -1.32 0.00 0.00 176.35 174.64 1uay n PHE 68 N 7.46 0.00 -4.13 5.38 7.35 -0.65 -4.77 117.46 128.10 1uay n PHE 68 Ca 0.16 0.00 -0.35 0.00 -0.76 0.00 0.00 57.45 56.50 1uay n PHE 68 Cb 0.45 -0.28 -0.11 0.00 0.35 0.00 0.00 39.48 39.88 1uay n PHE 68 CO 0.00 0.00 0.00 0.00 -0.76 0.00 0.00 176.76 176.00 1uay s ALA 69 N -2.15 3.16 -0.11 3.13 0.00 -1.18 -0.38 121.76 124.23 1uay s ALA 69 Ca -0.11 -0.87 0.01 0.00 0.00 0.00 0.00 51.96 51.00 1uay s ALA 69 Cb 0.04 -1.78 0.02 0.00 0.00 0.00 0.00 23.12 21.39 1uay s ALA 69 CO 0.15 0.05 -0.14 0.08 0.00 0.00 0.00 175.76 175.89 1uay s VAL 70 N 0.64 1.45 -0.20 0.00 1.01 -0.51 -0.72 120.40 122.06 1uay s VAL 70 Ca 0.00 -0.60 0.01 0.00 0.00 0.00 0.00 61.98 61.40 1uay s VAL 70 Cb -0.14 -1.34 0.04 0.00 0.00 0.00 0.00 36.38 34.95 1uay s VAL 70 CO 0.02 0.43 -0.11 -0.69 0.00 0.00 0.00 175.10 174.76 1uay s VAL 71 N 1.12 1.71 -0.51 2.92 1.01 0.28 -0.21 120.40 126.72 1uay s VAL 71 Ca -0.04 -1.07 -0.20 0.00 0.00 0.00 0.00 61.98 60.67 1uay s VAL 71 Cb -0.14 -1.78 0.05 0.00 0.00 0.00 0.00 36.38 34.51 1uay s VAL 71 CO -0.03 0.16 0.69 -0.44 0.00 0.00 0.00 175.10 175.48 1uay s SER 72 N 1.36 6.26 -0.00 3.32 0.01 0.07 -0.90 113.70 123.82 1uay s SER 72 Ca -0.02 -0.74 0.00 0.00 1.31 0.00 0.00 55.95 56.50 1uay s SER 72 Cb -0.16 -2.32 0.00 0.00 0.21 0.00 0.00 66.02 63.75 1uay s SER 72 CO -0.08 -0.95 0.83 0.00 0.41 0.00 0.00 173.24 173.45 1uay n ALA 73 N 6.44 1.65 -1.97 1.44 0.00 -0.77 -2.38 120.51 124.93 1uay n ALA 73 Ca -0.04 -0.85 -0.40 0.00 0.00 0.00 0.00 53.44 52.15 1uay n ALA 73 Cb 0.46 -0.01 -0.06 0.00 0.00 0.00 0.00 19.45 19.84 1uay n ALA 73 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1uay s ALA 74 N -0.67 3.35 -0.01 0.00 0.00 -1.09 -4.58 121.76 118.76 1uay s ALA 74 Ca 0.01 0.52 -0.30 0.00 0.00 0.00 0.00 51.96 52.19 1uay s ALA 74 Cb 0.00 -3.15 0.12 0.00 0.00 0.00 0.00 23.12 20.10 1uay s ALA 74 CO 0.00 0.17 1.28 0.20 0.00 0.00 0.00 175.76 177.41 1uay s GLY 75 N -0.83 -0.37 0.11 0.00 0.00 -1.26 -4.75 107.32 100.21 1uay s GLY 75 Ca 0.41 0.60 0.02 0.00 0.00 0.00 0.00 44.72 45.75 1uay s GLY 75 CO 0.29 0.72 -0.06 -1.34 0.00 0.00 0.00 173.10 172.71 1uay s VAL 76 N -2.39 0.73 0.42 1.40 -7.23 -1.26 -4.87 120.40 107.20 1uay s VAL 76 Ca 0.16 -1.95 0.06 0.00 -1.81 0.00 0.00 61.98 58.44 1uay s VAL 76 Cb 0.04 -1.72 -0.07 0.00 0.56 0.00 0.00 36.38 35.20 1uay s VAL 76 CO -0.03 -0.84 0.04 -0.83 -0.31 0.00 0.00 175.10 173.12 1uay s GLY 77 N -3.06 2.54 -0.28 2.32 0.00 -1.26 -4.86 107.32 102.72 1uay s GLY 77 Ca 0.13 -2.06 -0.21 0.00 0.00 0.00 0.00 44.72 42.58 1uay s GLY 77 CO -0.04 -2.08 0.79 -2.27 0.00 0.00 0.00 173.10 169.50 1uay s LEU 78 N -3.76 -0.74 -0.31 0.66 2.96 -1.26 -4.98 118.68 111.24 1uay s LEU 78 Ca 0.33 1.31 0.03 0.00 -0.22 0.00 0.00 54.13 55.58 1uay s LEU 78 Cb 0.08 2.27 0.09 0.00 0.50 0.00 0.00 46.19 49.13 1uay s LEU 78 CO 0.17 -0.22 0.02 0.00 -1.32 0.00 0.00 176.35 175.00 1uay s ALA 79 N 0.90 2.58 -0.19 5.97 0.00 -1.26 -4.64 121.76 125.12 1uay s ALA 79 Ca -0.04 -2.18 -0.09 0.00 0.00 0.00 0.00 51.96 49.64 1uay s ALA 79 Cb -0.05 -1.81 0.07 0.00 0.00 0.00 0.00 23.12 21.33 1uay s ALA 79 CO -0.09 -1.56 0.44 -2.00 0.00 0.00 0.00 175.76 172.55 1uay s GLU 80 N 1.07 0.41 0.54 0.00 2.12 -0.03 -5.04 118.70 117.77 1uay s GLU 80 Ca 0.06 0.89 -0.17 0.00 0.36 0.00 0.00 54.97 56.10 1uay s GLU 80 Cb -0.19 0.07 -0.06 0.00 0.26 0.00 0.00 34.13 34.21 1uay s GLU 80 CO -0.10 -0.18 1.03 0.15 -0.54 0.00 0.00 175.26 175.62 1uay s LYS 81 N 1.69 3.65 0.19 4.30 1.02 -1.26 -4.39 119.74 124.94 1uay s LYS 81 Ca -0.08 1.16 -0.09 0.00 0.02 0.00 0.00 55.97 56.98 1uay s LYS 81 Cb -0.09 -2.08 0.11 0.00 -0.52 0.00 0.00 37.83 35.24 1uay s LYS 81 CO -0.13 -0.54 1.71 0.82 -0.92 0.00 0.00 175.35 176.29 1uay h ILE 82 N 0.89 1.26 -3.63 2.17 1.08 -1.96 -3.31 117.51 114.02 1uay h ILE 82 Ca -0.47 -0.97 -0.69 0.00 -0.39 0.00 0.00 64.86 62.34 1uay h ILE 82 Cb 1.21 0.56 -0.34 0.00 -3.07 0.00 0.00 36.82 35.18 1uay h ILE 82 CO 0.59 0.37 -0.63 -0.76 -0.69 0.00 0.00 178.15 177.03 1uay s LEU 83 N -9.55 4.62 0.00 1.44 1.43 -1.26 -0.49 118.68 114.87 1uay s LEU 83 Ca -0.12 -1.68 -0.00 0.00 -1.03 0.00 0.00 54.13 51.30 1uay s LEU 83 Cb 0.14 -1.77 0.01 0.00 0.03 0.00 0.00 46.19 44.60 1uay s LEU 83 CO 0.84 -0.40 0.06 0.61 0.23 0.00 0.00 176.35 177.69 1uay n GLY 84 N 4.59 -0.00 0.11 -3.19 0.00 0.16 -4.97 105.19 101.89 1uay n GLY 84 Ca -0.07 -1.84 -0.01 0.00 0.00 0.00 0.00 46.02 44.10 1uay n GLY 84 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1uay h LYS 85 N 0.00 0.00 0.00 1.61 1.79 -1.97 -3.36 116.57 114.64 1uay h LYS 85 Ca -0.02 0.00 -0.16 0.00 -2.18 0.00 0.00 60.65 58.29 1uay h LYS 85 Cb 0.06 0.00 -0.03 0.00 -1.58 0.00 0.00 32.23 30.68 1uay h LYS 85 CO 0.02 0.60 -1.89 0.39 -1.08 0.00 0.00 179.45 177.49 1uay n GLU 86 N -3.20 1.16 -3.01 3.15 -0.58 -1.26 -5.09 120.64 111.81 1uay n GLU 86 Ca -0.01 -0.06 0.00 0.00 -0.42 0.00 0.00 57.16 56.67 1uay n GLU 86 Cb 0.82 -1.38 0.00 0.00 -0.57 0.00 0.00 31.44 30.31 1uay n GLU 86 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 1uay n GLY 87 N 1.90 -1.23 3.79 0.62 0.00 -1.26 -5.17 105.19 103.85 1uay n GLY 87 Ca -0.16 -0.81 -0.30 0.00 0.00 0.00 0.00 46.02 44.75 1uay n GLY 87 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1uay s PRO 88 N -0.13 2.18 0.13 1.61 0.04 -1.26 -0.67 135.00 136.90 1uay s PRO 88 Ca 0.00 0.80 -0.34 0.00 0.04 0.00 0.00 61.00 61.50 1uay s PRO 88 Cb 0.00 -1.92 -0.17 0.00 0.04 0.00 0.00 34.50 32.45 1uay s PRO 88 CO 0.00 -1.59 1.09 1.58 0.04 0.00 0.00 177.00 178.12 1uay n HIS 89 N -3.44 0.98 -1.99 0.56 -0.00 0.36 -4.75 115.22 106.95 1uay n HIS 89 Ca 0.07 0.79 -0.37 0.00 -0.00 0.00 0.00 57.72 58.21 1uay n HIS 89 Cb 0.55 -2.21 0.02 0.00 -0.00 0.00 0.00 29.99 28.35 1uay n HIS 89 CO 0.00 0.00 0.00 0.20 -0.00 0.00 0.00 176.34 176.54 1uay s GLY 90 N -0.05 2.82 0.09 1.57 0.00 -1.26 -4.94 107.32 105.55 1uay s GLY 90 Ca 0.77 1.14 -0.07 0.00 0.00 0.00 0.00 44.72 46.56 1uay s GLY 90 CO 0.53 1.61 1.20 -2.00 0.00 0.00 0.00 173.10 174.44 1uay h LEU 91 N 1.55 0.58 -0.64 0.66 5.85 -2.00 -3.21 115.31 118.10 1uay h LEU 91 Ca -0.50 -0.54 -0.10 0.00 0.84 0.00 0.00 57.88 57.58 1uay h LEU 91 Cb 1.28 -0.18 -0.02 0.00 0.37 0.00 0.00 40.66 42.11 1uay h LEU 91 CO 0.58 1.37 -0.01 -0.08 -0.34 0.00 0.00 178.44 179.96 1uay h GLU 92 N 0.18 1.06 -0.61 1.25 4.57 -1.99 -0.71 114.58 118.33 1uay h GLU 92 Ca -0.13 -0.34 -0.06 0.00 -1.18 0.00 0.00 59.36 57.66 1uay h GLU 92 Cb 1.81 -0.10 -0.03 0.00 -0.16 0.00 0.00 28.75 30.27 1uay h GLU 92 CO 0.20 1.04 0.16 0.66 -1.18 0.00 0.00 179.01 179.88 1uay h SER 93 N 0.97 0.89 -0.17 1.04 4.64 -1.97 -0.04 113.55 118.90 1uay h SER 93 Ca 0.17 -0.17 -0.02 0.00 -0.47 0.00 0.00 61.79 61.30 1uay h SER 93 Cb 0.56 -0.23 -0.01 0.00 -0.31 0.00 0.00 62.40 62.41 1uay h SER 93 CO 0.03 0.86 0.03 0.15 -0.87 0.00 0.00 176.83 177.04 1uay h PHE 94 N 0.91 0.30 -0.84 4.77 3.57 -1.49 -2.60 116.94 121.57 1uay h PHE 94 Ca 0.20 -0.04 0.02 0.00 3.53 0.00 0.00 57.97 61.68 1uay h PHE 94 Cb 0.31 -0.08 -0.05 0.00 2.79 0.00 0.00 35.95 38.92 1uay h PHE 94 CO 0.02 0.43 0.55 -0.09 -2.23 0.00 0.00 178.31 176.99 1uay h ARG 95 N 0.08 1.06 -0.49 1.11 2.43 -0.74 -2.26 114.38 115.58 1uay h ARG 95 Ca 0.05 -0.06 -0.00 0.00 -0.81 0.00 0.00 59.98 59.16 1uay h ARG 95 Cb 0.29 -0.24 -0.02 0.00 -0.42 0.00 0.00 29.97 29.58 1uay h ARG 95 CO 0.00 0.70 0.29 -0.09 -1.51 0.00 0.00 179.97 179.37 1uay h ARG 96 N 1.10 0.66 -0.70 0.20 9.65 -0.88 0.11 114.38 124.51 1uay h ARG 96 Ca 0.32 -0.06 -0.02 0.00 -1.10 0.00 0.00 59.98 59.12 1uay h ARG 96 Cb -0.06 -0.14 -0.03 0.00 -1.39 0.00 0.00 29.97 28.34 1uay h ARG 96 CO -0.09 0.48 0.35 0.28 2.80 0.00 0.00 179.97 183.80 1uay h VAL 97 N 0.65 1.23 -0.51 0.20 2.07 -1.18 -1.58 116.25 117.13 1uay h VAL 97 Ca 0.18 -0.61 -0.06 0.00 0.82 0.00 0.00 66.70 67.02 1uay h VAL 97 Cb -0.01 0.34 -0.02 0.00 -1.52 0.00 0.00 31.29 30.09 1uay h VAL 97 CO -0.03 0.26 0.07 -0.07 0.02 0.00 0.00 177.57 177.82 1uay h LEU 98 N 0.97 0.82 -0.01 2.57 3.38 -1.03 -1.56 115.31 120.45 1uay h LEU 98 Ca 0.24 -0.27 0.01 0.00 0.09 0.00 0.00 57.88 57.96 1uay h LEU 98 Cb 0.09 -0.22 -0.01 0.00 0.09 0.00 0.00 40.66 40.61 1uay h LEU 98 CO -0.03 0.88 -0.04 -0.08 0.09 0.00 0.00 178.44 179.26 1uay h GLU 99 N 0.73 -0.06 0.09 1.13 4.57 -0.39 -0.43 114.58 120.22 1uay h GLU 99 Ca 0.15 0.00 -0.00 0.00 -1.18 0.00 0.00 59.36 58.33 1uay h GLU 99 Cb 0.41 0.01 0.00 0.00 -0.16 0.00 0.00 28.75 29.02 1uay h GLU 99 CO 0.01 -0.04 -0.05 0.28 -1.18 0.00 0.00 179.01 178.04 1uay h VAL 100 N -0.06 1.12 -0.19 0.32 2.07 -1.28 0.42 116.25 118.64 1uay h VAL 100 Ca 0.02 -1.30 -0.21 0.00 0.82 0.00 0.00 66.70 66.03 1uay h VAL 100 Cb 0.08 1.88 0.01 0.00 -1.52 0.00 0.00 31.29 31.74 1uay h VAL 100 CO -0.04 0.29 -0.70 0.78 0.02 0.00 0.00 177.57 177.92 1uay h ASN 101 N -0.78 0.92 0.00 0.57 2.35 -1.36 -3.05 115.58 114.23 1uay h ASN 101 Ca -0.01 -0.56 -0.11 0.00 -0.55 0.00 0.00 56.30 55.06 1uay h ASN 101 Cb 0.58 -0.27 -0.02 0.00 0.05 0.00 0.00 38.32 38.66 1uay h ASN 101 CO 0.02 1.36 -1.35 -0.11 -1.65 0.00 0.00 177.43 175.70 1uay n LEU 102 N -3.95 1.94 -0.29 1.61 7.94 -0.29 -3.83 117.00 120.12 1uay n LEU 102 Ca -0.06 0.34 -0.04 0.00 -1.11 0.00 0.00 56.01 55.14 1uay n LEU 102 Cb 0.70 -0.77 0.11 0.00 0.53 0.00 0.00 43.42 43.99 1uay n LEU 102 CO 0.52 -0.07 1.12 0.25 -1.11 0.00 0.00 177.39 178.09 1uay h LEU 103 N -1.00 1.06 -0.67 -1.96 6.46 -1.13 -0.81 115.31 117.27 1uay h LEU 103 Ca -0.17 -0.12 0.01 0.00 -0.12 0.00 0.00 57.88 57.47 1uay h LEU 103 Cb 1.13 -0.27 -0.03 0.00 -0.73 0.00 0.00 40.66 40.75 1uay h LEU 103 CO -0.10 0.89 0.44 1.23 -0.62 0.00 0.00 178.44 180.28 1uay h GLY 104 N 1.18 0.94 1.05 3.75 0.00 -0.79 0.28 103.07 109.48 1uay h GLY 104 Ca 0.28 -0.36 -0.07 0.00 0.00 0.00 0.00 47.33 47.18 1uay h GLY 104 CO -0.04 0.35 0.12 -0.84 0.00 0.00 0.00 176.54 176.13 1uay h THR 105 N 0.91 1.26 -0.48 4.70 2.02 -1.54 -1.30 112.91 118.47 1uay h THR 105 Ca 0.24 -1.00 -0.11 0.00 0.77 0.00 0.00 66.41 66.31 1uay h THR 105 Cb -0.09 0.67 -0.02 0.00 -1.74 0.00 0.00 68.15 66.97 1uay h THR 105 CO -0.05 0.38 -0.13 0.15 0.37 0.00 0.00 175.52 176.24 1uay h PHE 106 N 0.97 1.01 -0.36 3.16 3.57 -0.68 -1.20 116.94 123.41 1uay h PHE 106 Ca 0.20 -0.21 -0.01 0.00 3.53 0.00 0.00 57.97 61.48 1uay h PHE 106 Cb 0.42 -0.25 -0.02 0.00 2.79 0.00 0.00 35.95 38.89 1uay h PHE 106 CO 0.03 0.97 0.20 -0.97 -2.23 0.00 0.00 178.31 176.31 1uay h ASN 107 N 0.81 0.45 -0.52 0.41 -1.24 -0.16 -0.46 115.58 114.88 1uay h ASN 107 Ca 0.13 -0.09 -0.06 0.00 0.71 0.00 0.00 56.30 56.99 1uay h ASN 107 Cb 0.66 -0.12 -0.02 0.00 0.73 0.00 0.00 38.32 39.57 1uay h ASN 107 CO 0.05 0.41 0.09 0.58 -1.29 0.00 0.00 177.43 177.27 1uay h VAL 108 N 0.46 1.25 -0.02 2.57 2.07 -1.10 -2.40 116.25 119.08 1uay h VAL 108 Ca 0.13 -0.94 -0.00 0.00 0.82 0.00 0.00 66.70 66.71 1uay h VAL 108 Cb 0.06 0.86 -0.00 0.00 -1.52 0.00 0.00 31.29 30.69 1uay h VAL 108 CO -0.02 0.34 0.01 0.25 0.02 0.00 0.00 177.57 178.17 1uay h LEU 109 N 0.74 0.02 -0.67 2.57 6.46 -0.89 -0.32 115.31 123.22 1uay h LEU 109 Ca 0.16 -0.11 -0.08 0.00 -0.12 0.00 0.00 57.88 57.73 1uay h LEU 109 Cb 0.40 -0.01 -0.03 0.00 -0.73 0.00 0.00 40.66 40.30 1uay h LEU 109 CO 0.01 0.12 0.11 0.08 -0.62 0.00 0.00 178.44 178.15 1uay h ARG 110 N -0.08 1.10 -0.12 1.25 0.11 -1.09 -0.84 114.38 114.71 1uay h ARG 110 Ca 0.01 -0.29 -0.18 0.00 0.10 0.00 0.00 59.98 59.61 1uay h ARG 110 Cb 0.11 -0.13 0.01 0.00 1.11 0.00 0.00 29.97 31.07 1uay h ARG 110 CO -0.00 1.01 -0.64 -0.07 0.10 0.00 0.00 179.97 180.36 1uay h LEU 111 N 1.03 0.78 -0.23 0.08 3.38 -1.39 -2.08 115.31 116.87 1uay h LEU 111 Ca 0.20 -0.64 -0.06 0.00 0.09 0.00 0.00 57.88 57.48 1uay h LEU 111 Cb 0.44 -0.23 -0.01 0.00 0.09 0.00 0.00 40.66 40.95 1uay h LEU 111 CO 0.01 1.29 -0.08 0.00 0.09 0.00 0.00 178.44 179.75 1uay h ALA 112 N 0.51 0.32 -0.61 1.53 0.00 -1.05 -2.32 119.26 117.64 1uay h ALA 112 Ca -0.04 -0.28 0.02 0.00 0.00 0.00 0.00 54.91 54.60 1uay h ALA 112 Cb 1.28 -0.08 -0.04 0.00 0.00 0.00 0.00 17.79 18.96 1uay h ALA 112 CO 0.13 0.14 0.39 0.00 0.00 0.00 0.00 179.25 179.91 1uay h ALA 113 N 0.74 0.78 -0.69 0.00 0.00 -1.19 -0.43 119.26 118.46 1uay h ALA 113 Ca 0.06 -0.03 -0.00 0.00 0.00 0.00 0.00 54.91 54.93 1uay h ALA 113 Cb 0.56 -0.21 -0.03 0.00 0.00 0.00 0.00 17.79 18.11 1uay h ALA 113 CO 0.03 0.15 0.42 2.35 0.00 0.00 0.00 179.25 182.20 1uay h TRP 114 N 0.77 0.92 0.00 0.00 2.91 -1.33 -1.51 115.95 117.70 1uay h TRP 114 Ca 0.23 -0.00 -0.07 0.00 1.13 0.00 0.00 58.89 60.18 1uay h TRP 114 Cb -0.03 -0.30 -0.01 0.00 -0.51 0.00 0.00 29.16 28.31 1uay h TRP 114 CO -0.04 0.62 -0.32 0.00 -1.03 0.00 0.00 178.44 177.66 1uay h ALA 115 N 1.22 1.20 -0.00 2.65 0.00 -0.83 -3.05 119.26 120.45 1uay h ALA 115 Ca 0.25 -0.29 0.00 0.00 0.00 0.00 0.00 54.91 54.87 1uay h ALA 115 Cb -0.03 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 17.71 1uay h ALA 115 CO -0.05 0.40 -0.54 -1.33 0.00 0.00 0.00 179.25 177.73 1uay n MET 116 N -3.77 0.30 0.26 0.00 2.81 -0.22 -4.51 117.12 111.98 1uay n MET 116 Ca -0.01 -0.20 0.18 0.00 -1.81 0.00 0.00 57.70 55.86 1uay n MET 116 Cb 0.41 -1.50 0.91 0.00 -0.71 0.00 0.00 33.22 32.33 1uay n MET 116 CO 0.00 0.00 0.00 0.07 1.51 0.00 0.00 175.97 177.55 1uay h ARG 117 N 0.49 0.00 -0.44 0.03 0.11 -1.17 -0.88 114.38 112.52 1uay h ARG 117 Ca 0.00 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.08 1uay h ARG 117 Cb 0.52 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.60 1uay h ARG 117 CO 0.00 0.00 0.00 0.39 0.10 0.00 0.00 179.97 180.46 1uay n GLU 118 N -3.41 2.99 -1.84 0.08 1.02 -1.26 -5.01 120.64 113.21 1uay n GLU 118 Ca 0.00 -2.39 -0.41 0.00 -0.02 0.00 0.00 57.16 54.34 1uay n GLU 118 Cb 0.30 -1.50 -0.01 0.00 -0.02 0.00 0.00 31.44 30.22 1uay n GLU 118 CO 0.00 0.00 0.00 -0.80 1.18 0.00 0.00 177.13 177.51 1uay s ASN 119 N -1.13 6.40 0.15 1.62 0.01 -0.34 -4.92 114.94 116.73 1uay s ASN 119 Ca 0.34 2.99 -0.31 0.00 -0.71 0.00 0.00 52.86 55.17 1uay s ASN 119 Cb 0.21 -2.66 -0.09 0.00 0.41 0.00 0.00 41.25 39.12 1uay s ASN 119 CO 0.19 -0.83 1.44 -2.84 -1.51 0.00 0.00 177.10 173.54 1uay s PRO 120 N -1.86 4.29 0.65 -0.60 0.02 -1.26 -4.85 135.00 131.38 1uay s PRO 120 Ca 0.53 2.18 -0.16 0.00 0.02 0.00 0.00 61.00 63.57 1uay s PRO 120 Cb -0.46 -3.20 -0.01 0.00 0.02 0.00 0.00 34.50 30.85 1uay s PRO 120 CO 0.60 -0.47 1.15 -1.25 -0.33 0.00 0.00 177.00 176.70 1uay s PRO 121 N 0.88 2.78 0.11 5.54 0.04 -1.26 -4.80 135.00 138.29 1uay s PRO 121 Ca 0.65 1.56 -0.01 0.00 0.04 0.00 0.00 61.00 63.24 1uay s PRO 121 Cb -0.39 -1.93 0.02 0.00 0.04 0.00 0.00 34.50 32.24 1uay s PRO 121 CO 0.32 -1.30 0.15 -0.40 0.04 0.00 0.00 177.00 175.81 1uay n ASP 122 N -2.18 0.09 0.31 6.66 5.68 -0.40 -4.83 116.55 121.88 1uay n ASP 122 Ca 0.12 -1.10 0.18 0.00 -0.50 0.00 0.00 54.79 53.48 1uay n ASP 122 Cb 0.51 -0.11 1.02 0.00 -1.14 0.00 0.00 41.12 41.41 1uay n ASP 122 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 1uay h ALA 123 N -1.22 1.35 -0.02 2.12 0.00 -1.97 -0.37 119.26 119.15 1uay h ALA 123 Ca -0.05 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.86 1uay h ALA 123 Cb 0.15 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.95 1uay h ALA 123 CO 0.04 -0.04 -0.07 0.39 0.00 0.00 0.00 179.25 179.58 1uay n GLU 124 N -3.52 1.70 -0.73 0.00 -0.58 -1.26 -4.92 120.64 111.33 1uay n GLU 124 Ca -0.03 -1.17 0.00 0.00 -0.42 0.00 0.00 57.16 55.55 1uay n GLU 124 Cb 0.11 -1.48 0.00 0.00 -0.57 0.00 0.00 31.44 29.50 1uay n GLU 124 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 1uay n GLY 125 N 1.26 0.63 3.74 0.62 0.00 -0.15 -5.03 105.19 106.26 1uay n GLY 125 Ca 0.16 -0.04 -0.39 0.00 0.00 0.00 0.00 46.02 45.75 1uay n GLY 125 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1uay s GLN 126 N -0.33 4.38 0.00 1.61 -0.21 -1.26 -4.49 119.66 119.36 1uay s GLN 126 Ca 0.00 0.76 0.22 0.00 0.02 0.00 0.00 55.36 56.36 1uay s GLN 126 Cb 0.00 -3.40 -0.29 0.00 1.00 0.00 0.00 33.01 30.33 1uay s GLN 126 CO 0.00 0.22 0.58 0.54 -2.12 0.00 0.00 175.29 174.51 1uay n ARG 127 N 3.26 0.62 0.00 2.91 1.74 0.94 -1.27 116.66 124.86 1uay n ARG 127 Ca -0.05 -0.15 0.00 0.00 -0.77 0.00 0.00 57.85 56.89 1uay n ARG 127 Cb 0.51 -1.56 0.00 0.00 -1.02 0.00 0.00 32.46 30.39 1uay n ARG 127 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1uay n GLY 128 N 1.26 -0.13 2.87 -0.13 0.00 -1.20 -4.62 105.19 103.24 1uay n GLY 128 Ca -0.03 -1.08 -0.14 0.00 0.00 0.00 0.00 46.02 44.77 1uay n GLY 128 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1uay s VAL 129 N -2.00 -0.06 -0.22 1.61 1.01 0.49 -1.94 120.40 119.28 1uay s VAL 129 Ca 0.00 0.20 -0.04 0.00 0.00 0.00 0.00 61.98 62.15 1uay s VAL 129 Cb 0.00 -0.20 -0.01 0.00 0.00 0.00 0.00 36.38 36.18 1uay s VAL 129 CO 0.00 0.08 -0.05 -0.63 0.00 0.00 0.00 175.10 174.51 1uay s ILE 130 N 1.21 3.30 -0.24 2.22 1.01 0.30 -1.43 121.20 127.57 1uay s ILE 130 Ca -0.08 -0.54 -0.03 0.00 0.00 0.00 0.00 60.65 59.99 1uay s ILE 130 Cb -0.12 -2.51 0.01 0.00 0.01 0.00 0.00 42.46 39.85 1uay s ILE 130 CO -0.05 0.41 -0.03 -0.69 0.00 0.00 0.00 174.94 174.58 1uay s VAL 131 N 1.46 3.27 0.29 2.92 1.01 0.70 -1.44 120.40 128.61 1uay s VAL 131 Ca 0.05 -0.70 0.06 0.00 0.00 0.00 0.00 61.98 61.40 1uay s VAL 131 Cb -0.14 -2.57 -0.02 0.00 0.00 0.00 0.00 36.38 33.65 1uay s VAL 131 CO -0.04 0.31 0.41 0.20 0.00 0.00 0.00 175.10 175.98 1uay s ASN 132 N 1.43 6.12 -0.19 3.32 0.01 0.16 -0.75 114.94 125.03 1uay s ASN 132 Ca 0.04 -0.07 0.01 0.00 -0.71 0.00 0.00 52.86 52.13 1uay s ASN 132 Cb -0.15 -1.54 0.03 0.00 0.41 0.00 0.00 41.25 40.00 1uay s ASN 132 CO -0.03 -0.25 -0.15 -0.89 -1.51 0.00 0.00 177.10 174.28 1uay s THR 133 N -2.08 1.88 0.00 1.60 2.01 -1.00 -0.69 115.64 117.35 1uay s THR 133 Ca 0.39 -1.03 0.00 0.00 0.31 0.00 0.00 61.69 61.37 1uay s THR 133 Cb -0.09 -1.83 0.00 0.00 0.01 0.00 0.00 72.50 70.59 1uay s THR 133 CO 0.30 0.33 0.00 0.00 -0.69 0.00 0.00 174.62 174.55 1uay n ALA 134 N 4.63 0.00 -3.63 7.40 0.00 0.35 -4.96 120.51 124.30 1uay n ALA 134 Ca -0.17 0.00 -0.03 0.00 0.00 0.00 0.00 53.44 53.24 1uay n ALA 134 Cb 0.48 0.00 -0.03 0.00 0.00 0.00 0.00 19.45 19.89 1uay n ALA 134 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 1uay s SER 135 N -0.67 -0.07 0.43 0.00 0.15 -1.26 -4.34 113.70 107.94 1uay s SER 135 Ca 0.00 0.04 0.30 0.00 0.70 0.00 0.00 55.95 57.00 1uay s SER 135 Cb 0.00 0.07 1.47 0.00 -1.71 0.00 0.00 66.02 65.84 1uay s SER 135 CO 0.00 -0.09 1.91 -0.37 1.20 0.00 0.00 173.24 175.89 1uay h VAL 136 N 2.06 0.00 0.00 4.45 -1.51 -1.55 -1.29 116.25 118.42 1uay h VAL 136 Ca -0.07 -0.16 0.00 0.00 -1.23 0.00 0.00 66.70 65.23 1uay h VAL 136 Cb 1.16 0.94 0.00 0.00 -2.13 0.00 0.00 31.29 31.26 1uay h VAL 136 CO 0.22 0.00 0.00 0.00 -1.23 0.00 0.00 177.57 176.56 1uay h ALA 137 N 2.07 1.00 0.00 5.19 0.00 -1.86 0.13 119.26 125.78 1uay h ALA 137 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 1uay h ALA 137 Cb 0.20 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.99 1uay h ALA 137 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 179.25 179.25 1uay h ALA 138 N 2.02 1.00 0.00 0.00 0.00 -1.45 -2.68 119.26 118.15 1uay h ALA 138 Ca 0.00 0.00 -0.19 0.00 0.00 0.00 0.00 54.91 54.72 1uay h ALA 138 Cb 0.13 0.00 -0.03 0.00 0.00 0.00 0.00 17.79 17.89 1uay h ALA 138 CO 0.00 0.00 -1.71 1.19 0.00 0.00 0.00 179.25 178.73 1uay n PHE 139 N -2.90 0.00 -2.74 0.00 3.72 0.30 -4.71 117.46 111.12 1uay n PHE 139 Ca 0.01 0.00 -0.22 0.00 -0.05 0.00 0.00 57.45 57.19 1uay n PHE 139 Cb 0.28 -0.47 -0.01 0.00 -0.94 0.00 0.00 39.48 38.33 1uay n PHE 139 CO 0.00 0.00 0.00 0.39 -0.05 0.00 0.00 176.76 177.10 1uay n GLU 140 N -2.98 2.56 -1.65 -1.08 4.71 -0.37 -5.09 120.64 116.73 1uay n GLU 140 Ca -0.23 -4.19 -0.46 0.00 -0.01 0.00 0.00 57.16 52.28 1uay n GLU 140 Cb 0.72 -1.96 -0.04 0.00 -1.01 0.00 0.00 31.44 29.16 1uay n GLU 140 CO 0.00 0.00 0.00 0.41 0.09 0.00 0.00 177.13 177.63 1uay n GLY 141 N -0.22 0.79 3.94 0.62 0.00 -1.01 -4.56 105.19 104.75 1uay n GLY 141 Ca 0.29 0.57 -0.25 0.00 0.00 0.00 0.00 46.02 46.63 1uay n GLY 141 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1uay s GLN 142 N 0.12 2.10 0.23 1.61 -0.21 -1.26 -4.91 119.66 117.33 1uay s GLN 142 Ca 0.74 -0.43 -0.31 0.00 0.02 0.00 0.00 55.36 55.37 1uay s GLN 142 Cb -0.71 -2.21 -0.11 0.00 1.00 0.00 0.00 33.01 30.97 1uay s GLN 142 CO 0.46 -1.25 1.65 0.42 -2.12 0.00 0.00 175.29 174.44 1uay s ILE 143 N -3.20 2.16 0.00 1.08 1.01 -0.53 -1.43 121.20 120.29 1uay s ILE 143 Ca 0.61 0.12 0.00 0.00 0.00 0.00 0.00 60.65 61.38 1uay s ILE 143 Cb -0.10 -3.08 0.00 0.00 0.01 0.00 0.00 42.46 39.30 1uay s ILE 143 CO 0.44 0.01 0.00 0.61 0.00 0.00 0.00 174.94 176.00 1uay n GLY 144 N 3.31 0.88 1.25 6.18 0.00 -1.26 -4.93 105.19 110.61 1uay n GLY 144 Ca 0.13 0.00 -0.01 0.00 0.00 0.00 0.00 46.02 46.14 1uay n GLY 144 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 1uay n GLN 145 N -2.00 2.56 -0.04 1.61 1.13 -0.51 -0.85 117.38 119.28 1uay n GLN 145 Ca 0.00 -3.03 -0.09 0.00 -1.94 0.00 0.00 57.00 51.95 1uay n GLN 145 Cb 0.00 -1.91 -0.03 0.00 0.11 0.00 0.00 30.24 28.41 1uay n GLN 145 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 1uay h ALA 146 N 1.55 0.18 0.02 -1.58 0.00 -1.81 0.17 119.26 117.79 1uay h ALA 146 Ca 0.17 0.05 -0.00 0.00 0.00 0.00 0.00 54.91 55.13 1uay h ALA 146 Cb 1.76 0.08 0.00 0.00 0.00 0.00 0.00 17.79 19.63 1uay h ALA 146 CO 0.43 -0.42 -0.01 0.00 0.00 0.00 0.00 179.25 179.24 1uay h ALA 147 N 1.16 -0.03 -0.11 0.00 0.00 -1.88 -1.09 119.26 117.32 1uay h ALA 147 Ca 0.09 -0.09 0.01 0.00 0.00 0.00 0.00 54.91 54.92 1uay h ALA 147 Cb 0.11 0.01 -0.01 0.00 0.00 0.00 0.00 17.79 17.90 1uay h ALA 147 CO -0.15 -0.43 0.05 -0.92 0.00 0.00 0.00 179.25 177.80 1uay h TYR 148 N -0.20 0.09 -0.58 0.00 3.20 -1.80 -1.53 116.97 116.16 1uay h TYR 148 Ca -0.00 0.00 0.03 0.00 3.14 0.00 0.00 58.73 61.90 1uay h TYR 148 Cb 0.19 -0.03 -0.04 0.00 1.54 0.00 0.00 36.73 38.39 1uay h TYR 148 CO -0.02 0.05 0.34 0.00 -1.64 0.00 0.00 178.16 176.89 1uay h ALA 149 N 1.06 0.75 -0.49 1.82 0.00 -0.62 -1.38 119.26 120.39 1uay h ALA 149 Ca 0.04 -0.01 -0.00 0.00 0.00 0.00 0.00 54.91 54.94 1uay h ALA 149 Cb 0.01 -0.15 -0.02 0.00 0.00 0.00 0.00 17.79 17.62 1uay h ALA 149 CO -0.03 0.05 0.29 0.00 0.00 0.00 0.00 179.25 179.56 1uay h ALA 150 N 1.27 0.62 -0.74 0.00 0.00 -0.95 0.17 119.26 119.61 1uay h ALA 150 Ca 0.24 -0.06 -0.04 0.00 0.00 0.00 0.00 54.91 55.04 1uay h ALA 150 Cb 0.05 -0.20 -0.03 0.00 0.00 0.00 0.00 17.79 17.62 1uay h ALA 150 CO -0.12 0.11 0.31 0.66 0.00 0.00 0.00 179.25 180.22 1uay h SER 151 N 0.65 1.01 0.71 0.00 4.64 -0.86 -1.98 113.55 117.72 1uay h SER 151 Ca 0.17 -0.16 -0.15 0.00 -0.47 0.00 0.00 61.79 61.18 1uay h SER 151 Cb -0.01 -0.26 -0.02 0.00 -0.31 0.00 0.00 62.40 61.80 1uay h SER 151 CO -0.03 0.90 -0.70 0.11 -0.87 0.00 0.00 176.83 176.23 1uay h LYS 152 N 1.06 0.00 -0.18 4.77 1.79 -0.95 -2.74 116.57 120.33 1uay h LYS 152 Ca 0.25 0.00 -0.08 0.00 -2.18 0.00 0.00 60.65 58.64 1uay h LYS 152 Cb 0.19 0.00 -0.01 0.00 -1.58 0.00 0.00 32.23 30.82 1uay h LYS 152 CO -0.02 0.70 -0.23 0.78 -1.08 0.00 0.00 179.45 179.60 1uay h GLY 153 N 2.13 0.34 1.08 3.86 0.00 -0.34 -1.09 103.07 109.05 1uay h GLY 153 Ca -0.01 -0.26 -0.11 0.00 0.00 0.00 0.00 47.33 46.96 1uay h GLY 153 CO 0.09 0.24 -0.09 -1.33 0.00 0.00 0.00 176.54 175.45 1uay h GLY 154 N 0.96 1.09 0.97 4.60 0.00 -1.08 -1.51 103.07 108.09 1uay h GLY 154 Ca 0.05 -0.87 -0.03 0.00 0.00 0.00 0.00 47.33 46.48 1uay h GLY 154 CO 0.04 0.80 0.18 -2.08 0.00 0.00 0.00 176.54 175.48 1uay h VAL 155 N 0.88 1.22 -0.19 4.60 2.07 -1.17 -1.54 116.25 122.11 1uay h VAL 155 Ca 0.14 -0.69 0.02 0.00 0.82 0.00 0.00 66.70 66.99 1uay h VAL 155 Cb 0.66 0.75 -0.02 0.00 -1.52 0.00 0.00 31.29 31.15 1uay h VAL 155 CO 0.05 0.26 0.04 0.58 0.02 0.00 0.00 177.57 178.51 1uay h VAL 156 N 0.65 0.92 0.00 2.57 2.07 -1.02 -2.61 116.25 118.83 1uay h VAL 156 Ca 0.16 -0.04 -0.04 0.00 0.82 0.00 0.00 66.70 67.60 1uay h VAL 156 Cb 0.22 0.79 -0.01 0.00 -1.52 0.00 0.00 31.29 30.77 1uay h VAL 156 CO -0.01 0.02 -0.18 0.00 0.02 0.00 0.00 177.57 177.42 1uay h ALA 157 N 1.14 1.25 0.00 1.67 0.00 -1.08 -2.72 119.26 119.51 1uay h ALA 157 Ca 0.09 -0.17 -0.11 0.00 0.00 0.00 0.00 54.91 54.72 1uay h ALA 157 Cb 0.08 -0.03 -0.02 0.00 0.00 0.00 0.00 17.79 17.83 1uay h ALA 157 CO -0.11 0.23 -0.51 1.25 0.00 0.00 0.00 179.25 180.10 1uay h LEU 158 N 0.00 0.00 -0.31 0.00 5.85 -0.89 -3.36 115.31 116.60 1uay h LEU 158 Ca -0.00 0.00 0.06 0.00 0.84 0.00 0.00 57.88 58.78 1uay h LEU 158 Cb 0.47 0.00 -0.08 0.00 0.37 0.00 0.00 40.66 41.42 1uay h LEU 158 CO 0.02 0.51 -0.44 0.74 -0.34 0.00 0.00 178.44 178.94 1uay h THR 159 N 0.00 0.11 0.25 1.05 2.02 -1.35 -2.10 112.91 112.90 1uay h THR 159 Ca -0.01 0.00 -0.01 0.00 0.77 0.00 0.00 66.41 67.16 1uay h THR 159 Cb 0.91 0.11 0.00 0.00 -1.74 0.00 0.00 68.15 67.44 1uay h THR 159 CO 0.07 0.00 -0.12 0.25 0.37 0.00 0.00 175.52 176.09 1uay h LEU 160 N -0.39 -0.29 -1.88 2.58 5.85 -1.77 -0.31 115.31 119.10 1uay h LEU 160 Ca 0.11 -0.17 0.02 0.00 0.84 0.00 0.00 57.88 58.69 1uay h LEU 160 Cb 0.60 0.07 -0.01 0.00 0.37 0.00 0.00 40.66 41.70 1uay h LEU 160 CO -0.51 0.01 0.12 1.55 -0.34 0.00 0.00 178.44 179.27 1uay h PRO 161 N -0.60 0.16 -0.05 5.25 0.13 -1.75 0.16 132.00 135.29 1uay h PRO 161 Ca -0.03 -0.01 -0.03 0.00 -0.87 0.00 0.00 66.00 65.06 1uay h PRO 161 Cb 0.43 -0.03 -0.00 0.00 0.13 0.00 0.00 31.00 31.53 1uay h PRO 161 CO 0.06 0.10 -0.08 0.00 -0.23 0.00 0.00 178.00 177.85 1uay h ALA 162 N 1.90 0.08 -0.85 -0.56 0.00 -1.27 -2.75 119.26 115.81 1uay h ALA 162 Ca 0.07 -0.31 -0.03 0.00 0.00 0.00 0.00 54.91 54.65 1uay h ALA 162 Cb 0.10 -0.01 -0.04 0.00 0.00 0.00 0.00 17.79 17.84 1uay h ALA 162 CO -0.01 -0.08 0.43 0.00 0.00 0.00 0.00 179.25 179.58 1uay h ALA 163 N 0.50 1.15 -0.68 0.00 0.00 -0.45 -0.20 119.26 119.58 1uay h ALA 163 Ca 0.00 -0.15 0.01 0.00 0.00 0.00 0.00 54.91 54.77 1uay h ALA 163 Cb 0.63 -0.34 -0.03 0.00 0.00 0.00 0.00 17.79 18.05 1uay h ALA 163 CO 0.02 0.66 0.45 0.00 0.00 0.00 0.00 179.25 180.37 1uay h ARG 164 N 1.21 0.89 0.00 0.00 3.08 -0.72 -1.00 114.38 117.84 1uay h ARG 164 Ca 0.30 -0.05 -0.07 0.00 0.07 0.00 0.00 59.98 60.23 1uay h ARG 164 Cb 0.09 -0.20 0.01 0.00 0.08 0.00 0.00 29.97 29.94 1uay h ARG 164 CO -0.04 0.59 -0.26 1.49 -1.07 0.00 0.00 179.97 180.68 1uay h GLU 165 N 0.92 0.17 0.00 0.04 4.81 -1.20 -3.28 114.58 116.04 1uay h GLU 165 Ca 0.25 -0.19 0.00 0.00 -0.13 0.00 0.00 59.36 59.29 1uay h GLU 165 Cb -0.11 0.05 0.00 0.00 0.63 0.00 0.00 28.75 29.33 1uay h GLU 165 CO -0.05 0.93 0.00 1.28 -0.73 0.00 0.00 179.01 180.43 1uay n LEU 166 N -4.50 0.45 -0.27 1.64 4.77 -0.11 -2.41 117.00 116.57 1uay n LEU 166 Ca -0.10 0.63 0.05 0.00 -0.03 0.00 0.00 56.01 56.56 1uay n LEU 166 Cb 0.51 -0.59 0.27 0.00 -2.33 0.00 0.00 43.42 41.28 1uay n LEU 166 CO 0.39 -0.53 1.24 0.00 -1.33 0.00 0.00 177.39 177.16 1uay h ALA 167 N 2.27 1.56 0.00 -1.18 0.00 -1.23 0.43 119.26 121.11 1uay h ALA 167 Ca 0.00 -0.02 -0.02 0.00 0.00 0.00 0.00 54.91 54.87 1uay h ALA 167 Cb 0.27 -0.25 -0.00 0.00 0.00 0.00 0.00 17.79 17.81 1uay h ALA 167 CO 0.00 0.30 -0.08 0.78 0.00 0.00 0.00 179.25 180.26 1uay h GLY 168 N 0.96 0.00 -1.95 0.00 0.00 -1.68 -1.59 103.07 98.82 1uay h GLY 168 Ca 0.37 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.70 1uay h GLY 168 CO -0.14 0.00 0.00 0.79 0.00 0.00 0.00 176.54 177.19 1uay n TRP 169 N -3.59 0.22 -1.86 5.60 7.02 0.04 -4.95 117.44 119.93 1uay n TRP 169 Ca -0.02 -0.11 -0.07 0.00 -1.02 0.00 0.00 57.50 56.28 1uay n TRP 169 Cb 0.19 0.00 -0.01 0.00 -2.42 0.00 0.00 31.31 29.07 1uay n TRP 169 CO 0.00 0.00 0.00 0.41 -2.02 0.00 0.00 177.69 176.08 1uay n GLY 170 N 1.40 0.33 3.24 6.99 0.00 -0.60 -4.40 105.19 112.15 1uay n GLY 170 Ca 0.17 -0.63 -0.34 0.00 0.00 0.00 0.00 46.02 45.21 1uay n GLY 170 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1uay s ILE 171 N -2.32 2.81 0.34 -0.61 1.01 -0.60 -0.04 121.20 121.78 1uay s ILE 171 Ca 0.00 -0.69 -0.11 0.00 0.00 0.00 0.00 60.65 59.85 1uay s ILE 171 Cb 0.00 -2.23 -0.07 0.00 0.01 0.00 0.00 42.46 40.17 1uay s ILE 171 CO 0.00 0.48 0.69 -0.13 0.00 0.00 0.00 174.94 175.98 1uay s ARG 172 N 1.25 3.81 -0.08 2.79 0.52 -0.82 -3.80 118.95 122.61 1uay s ARG 172 Ca 0.03 0.41 -0.01 0.00 -0.52 0.00 0.00 55.73 55.63 1uay s ARG 172 Cb -0.14 -2.48 0.03 0.00 0.52 0.00 0.00 34.95 32.88 1uay s ARG 172 CO -0.05 0.11 -0.00 0.08 0.02 0.00 0.00 175.30 175.45 1uay s VAL 173 N -2.14 0.43 0.05 3.52 1.01 -1.26 -0.54 120.40 121.47 1uay s VAL 173 Ca 0.50 0.04 0.04 0.00 0.00 0.00 0.00 61.98 62.56 1uay s VAL 173 Cb -0.10 -0.61 -0.02 0.00 0.00 0.00 0.00 36.38 35.64 1uay s VAL 173 CO 0.26 0.23 -0.11 -0.69 0.00 0.00 0.00 175.10 174.78 1uay s VAL 174 N 1.95 0.86 -0.07 2.92 1.01 -0.52 -0.59 120.40 125.95 1uay s VAL 174 Ca 0.04 -1.11 0.05 0.00 0.00 0.00 0.00 61.98 60.96 1uay s VAL 174 Cb -0.13 -0.85 -0.00 0.00 0.00 0.00 0.00 36.38 35.40 1uay s VAL 174 CO -0.06 -0.22 -0.22 -0.89 0.00 0.00 0.00 175.10 173.71 1uay s THR 175 N -1.17 1.88 -0.18 3.92 2.01 -0.44 -0.67 115.64 120.99 1uay s THR 175 Ca -0.04 -0.95 -0.08 0.00 0.31 0.00 0.00 61.69 60.93 1uay s THR 175 Cb -0.09 -1.62 -0.04 0.00 0.01 0.00 0.00 72.50 70.76 1uay s THR 175 CO 0.01 0.52 0.09 -0.69 -0.69 0.00 0.00 174.62 173.86 1uay s VAL 176 N 0.12 5.01 -0.58 3.82 1.01 0.13 -0.25 120.40 129.66 1uay s VAL 176 Ca -0.10 0.04 -0.02 0.00 0.00 0.00 0.00 61.98 61.90 1uay s VAL 176 Cb -0.15 -3.25 0.15 0.00 0.00 0.00 0.00 36.38 33.12 1uay s VAL 176 CO 0.05 0.47 0.39 0.00 0.00 0.00 0.00 175.10 176.01 1uay s ALA 177 N 0.21 3.49 0.57 5.51 0.00 0.60 -0.50 121.76 131.64 1uay s ALA 177 Ca 0.06 -3.13 -0.19 0.00 0.00 0.00 0.00 51.96 48.70 1uay s ALA 177 Cb -0.12 -2.59 -0.05 0.00 0.00 0.00 0.00 23.12 20.37 1uay s ALA 177 CO -0.00 -2.04 1.14 -2.14 0.00 0.00 0.00 175.76 172.72 1uay s PRO 178 N 0.15 3.20 0.00 0.00 0.02 -1.26 -1.55 135.00 135.55 1uay s PRO 178 Ca 0.15 1.64 0.00 0.00 0.02 0.00 0.00 61.00 62.81 1uay s PRO 178 Cb -0.21 -1.98 0.00 0.00 0.02 0.00 0.00 34.50 32.33 1uay s PRO 178 CO -0.03 -0.98 0.00 0.41 -0.33 0.00 0.00 177.00 176.07 1uay n GLY 179 N 0.16 0.73 3.56 0.52 0.00 0.28 -1.79 105.19 108.64 1uay n GLY 179 Ca 0.12 -0.07 -0.43 0.00 0.00 0.00 0.00 46.02 45.64 1uay n GLY 179 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1uay s LEU 180 N 0.00 4.17 0.40 0.99 1.43 -1.26 -4.83 118.68 119.59 1uay s LEU 180 Ca 0.00 0.04 0.04 0.00 -1.03 0.00 0.00 54.13 53.18 1uay s LEU 180 Cb 0.00 -3.03 -0.02 0.00 0.03 0.00 0.00 46.19 43.17 1uay s LEU 180 CO 0.00 -0.91 0.15 -0.36 0.23 0.00 0.00 176.35 175.47 1uay s PHE 181 N 3.36 1.77 -1.21 0.29 0.40 -1.26 -0.52 117.98 120.80 1uay s PHE 181 Ca 0.32 -1.35 -0.18 0.00 -0.60 0.00 0.00 56.93 55.11 1uay s PHE 181 Cb -0.12 -1.09 0.09 0.00 0.51 0.00 0.00 43.02 42.40 1uay s PHE 181 CO 0.22 -0.39 1.60 0.34 0.70 0.00 0.00 175.22 177.70 1uay s ASP 182 N -3.58 6.81 0.39 1.36 3.68 -1.26 -4.53 116.67 119.53 1uay s ASP 182 Ca 0.25 -2.33 0.04 0.00 2.13 0.00 0.00 52.55 52.64 1uay s ASP 182 Cb 0.02 -2.54 -0.03 0.00 -1.45 0.00 0.00 42.92 38.92 1uay s ASP 182 CO 0.16 -1.16 0.12 0.42 0.13 0.00 0.00 175.17 174.85 1uay s THR 183 N 3.85 0.67 0.53 1.71 -4.23 -1.26 -4.65 115.64 112.25 1uay s THR 183 Ca 0.50 -2.00 0.29 0.00 -1.18 0.00 0.00 61.69 59.29 1uay s THR 183 Cb 0.02 -2.42 0.45 0.00 1.34 0.00 0.00 72.50 71.89 1uay s THR 183 CO 0.02 0.00 1.92 -0.65 -0.54 0.00 0.00 174.62 175.37 1uay h PRO 184 N 1.86 0.02 0.31 3.99 0.11 -1.91 0.60 132.00 136.99 1uay h PRO 184 Ca -0.36 -0.00 -0.01 0.00 0.11 0.00 0.00 66.00 65.74 1uay h PRO 184 Cb 1.27 -0.01 -0.01 0.00 0.11 0.00 0.00 31.00 32.37 1uay h PRO 184 CO 0.58 0.02 -0.20 1.25 -0.21 0.00 0.00 178.00 179.44 1uay h LEU 185 N 0.03 -0.50 -0.27 2.35 6.46 -1.91 -2.22 115.31 119.24 1uay h LEU 185 Ca 0.38 0.03 -0.15 0.00 -0.12 0.00 0.00 57.88 58.02 1uay h LEU 185 Cb 1.47 0.15 -0.00 0.00 -0.73 0.00 0.00 40.66 41.55 1uay h LEU 185 CO -0.01 -0.31 -0.40 0.25 -0.62 0.00 0.00 178.44 177.34 1uay h LEU 186 N -0.49 0.83 -2.27 2.25 5.85 -1.46 -3.21 115.31 116.82 1uay h LEU 186 Ca -0.03 -0.51 0.04 0.00 0.84 0.00 0.00 57.88 58.22 1uay h LEU 186 Cb 0.41 -0.24 -0.01 0.00 0.37 0.00 0.00 40.66 41.20 1uay h LEU 186 CO 0.02 1.18 0.15 1.56 -0.34 0.00 0.00 178.44 181.01 1uay h GLN 187 N 0.50 0.00 -0.31 1.25 4.20 -0.85 -1.37 115.11 118.52 1uay h GLN 187 Ca 0.03 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.74 1uay h GLN 187 Cb 0.99 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.77 1uay h GLN 187 CO 0.09 0.00 0.00 0.41 -0.67 0.00 0.00 178.83 178.66 1uay n GLY 188 N -1.40 0.45 3.49 3.46 0.00 -0.84 -4.89 105.19 105.46 1uay n GLY 188 Ca 0.01 -0.33 -0.27 0.00 0.00 0.00 0.00 46.02 45.43 1uay n GLY 188 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1uay s LEU 189 N -1.00 2.67 0.78 0.99 1.43 -0.52 -4.84 118.68 118.19 1uay s LEU 189 Ca 0.20 -0.76 -0.12 0.00 -1.03 0.00 0.00 54.13 52.43 1uay s LEU 189 Cb 0.11 -1.37 0.06 0.00 0.03 0.00 0.00 46.19 45.02 1uay s LEU 189 CO 0.14 0.11 1.15 -2.16 0.23 0.00 0.00 176.35 175.82 1uay s PRO 190 N -2.80 2.19 0.14 1.29 0.04 -1.26 -4.78 135.00 129.81 1uay s PRO 190 Ca 0.23 0.24 -0.25 0.00 0.04 0.00 0.00 61.00 61.26 1uay s PRO 190 Cb -0.08 -1.96 -0.02 0.00 0.04 0.00 0.00 34.50 32.48 1uay s PRO 190 CO 0.12 -1.47 1.62 0.93 0.04 0.00 0.00 177.00 178.25 1uay h GLU 191 N -0.96 -0.37 -0.78 4.56 4.39 -1.98 0.55 114.58 119.98 1uay h GLU 191 Ca -0.46 0.02 0.17 0.00 0.34 0.00 0.00 59.36 59.44 1uay h GLU 191 Cb 1.30 0.08 -0.14 0.00 -0.10 0.00 0.00 28.75 29.90 1uay h GLU 191 CO 0.65 -0.24 -0.07 -0.22 -1.16 0.00 0.00 179.01 177.97 1uay h LYS 192 N -0.38 0.05 -0.25 2.33 1.63 -2.00 0.92 116.57 118.88 1uay h LYS 192 Ca 0.09 -0.00 -0.08 0.00 -0.85 0.00 0.00 60.65 59.81 1uay h LYS 192 Cb 0.53 -0.01 -0.01 0.00 -0.60 0.00 0.00 32.23 32.14 1uay h LYS 192 CO -0.34 0.04 -0.15 0.00 -3.45 0.00 0.00 179.45 175.55 1uay h ALA 193 N 1.76 0.35 -0.95 5.00 0.00 -1.76 -2.72 119.26 120.94 1uay h ALA 193 Ca 0.41 -0.33 0.07 0.00 0.00 0.00 0.00 54.91 55.07 1uay h ALA 193 Cb 0.71 -0.08 -0.07 0.00 0.00 0.00 0.00 17.79 18.35 1uay h ALA 193 CO -0.74 0.24 0.60 0.87 0.00 0.00 0.00 179.25 180.22 1uay h LYS 194 N 0.25 1.04 0.00 0.00 1.57 0.80 -1.24 116.57 118.99 1uay h LYS 194 Ca 0.05 -0.06 -0.00 0.00 -1.87 0.00 0.00 60.65 58.77 1uay h LYS 194 Cb 0.67 -0.23 0.00 0.00 0.08 0.00 0.00 32.23 32.75 1uay h LYS 194 CO 0.04 0.69 -0.00 0.00 -0.57 0.00 0.00 179.45 179.61 1uay h ALA 195 N 1.45 -0.00 -0.27 3.86 0.00 -0.85 -2.15 119.26 121.29 1uay h ALA 195 Ca 0.42 -0.16 -0.04 0.00 0.00 0.00 0.00 54.91 55.14 1uay h ALA 195 Cb 0.22 0.00 -0.02 0.00 0.00 0.00 0.00 17.79 18.00 1uay h ALA 195 CO -0.19 -0.34 0.01 0.66 0.00 0.00 0.00 179.25 179.39 1uay h SER 196 N -0.32 0.37 -0.12 0.00 4.64 -1.23 -1.47 113.55 115.42 1uay h SER 196 Ca -0.00 -0.05 -0.06 0.00 -0.47 0.00 0.00 61.79 61.20 1uay h SER 196 Cb 0.32 -0.10 -0.00 0.00 -0.31 0.00 0.00 62.40 62.32 1uay h SER 196 CO 0.00 0.42 -0.17 0.25 -0.87 0.00 0.00 176.83 176.46 1uay h LEU 197 N 0.39 0.36 -1.53 5.97 7.12 -1.20 -3.06 115.31 123.36 1uay h LEU 197 Ca 0.09 -0.52 -0.00 0.00 0.13 0.00 0.00 57.88 57.58 1uay h LEU 197 Cb 0.24 -0.10 -0.02 0.00 -0.53 0.00 0.00 40.66 40.25 1uay h LEU 197 CO 0.00 0.81 0.27 0.00 -0.13 0.00 0.00 178.44 179.39 1uay h ALA 198 N 0.56 1.66 0.00 1.25 0.00 -1.12 -1.51 119.26 120.10 1uay h ALA 198 Ca 0.01 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 54.88 1uay h ALA 198 Cb 0.73 -0.18 0.00 0.00 0.00 0.00 0.00 17.79 18.34 1uay h ALA 198 CO 0.04 0.31 0.00 0.00 0.00 0.00 0.00 179.25 179.60 1uay h ALA 199 N 1.70 1.00 0.00 0.00 0.00 -1.17 -2.52 119.26 118.27 1uay h ALA 199 Ca 0.16 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.07 1uay h ALA 199 Cb -0.04 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.75 1uay h ALA 199 CO -0.03 0.00 -0.22 1.04 0.00 0.00 0.00 179.25 180.04 1uay n GLN 200 N -2.47 0.23 -2.46 0.00 6.02 -0.57 -4.82 117.38 113.30 1uay n GLN 200 Ca 0.00 0.14 -0.43 0.00 -0.01 0.00 0.00 57.00 56.70 1uay n GLN 200 Cb 0.15 -1.72 -0.02 0.00 1.02 0.00 0.00 30.24 29.68 1uay n GLN 200 CO 0.00 0.00 0.00 0.08 -1.01 0.00 0.00 177.06 176.13 1uay s VAL 201 N -3.10 4.27 0.05 5.09 1.01 -0.95 -4.68 120.40 122.09 1uay s VAL 201 Ca 0.10 1.49 -0.31 0.00 0.00 0.00 0.00 61.98 63.26 1uay s VAL 201 Cb 0.14 -4.14 -0.17 0.00 0.00 0.00 0.00 36.38 32.21 1uay s VAL 201 CO 0.63 -0.33 1.46 -0.65 0.00 0.00 0.00 175.10 176.22 1uay h PRO 202 N 8.63 -1.03 -1.82 2.72 0.11 -1.81 -3.38 132.00 135.41 1uay h PRO 202 Ca -0.25 0.07 0.05 0.00 0.11 0.00 0.00 66.00 65.98 1uay h PRO 202 Cb 1.09 0.23 -0.23 0.00 0.11 0.00 0.00 31.00 32.20 1uay h PRO 202 CO 1.01 -0.69 0.17 0.12 -0.21 0.00 0.00 178.00 178.40 1uay s PHE 203 N -5.41 -0.85 0.32 0.65 5.36 -0.88 -3.89 117.98 113.29 1uay s PHE 203 Ca -0.16 1.74 -0.29 0.00 -0.96 0.00 0.00 56.93 57.26 1uay s PHE 203 Cb 0.02 0.50 -0.10 0.00 -0.34 0.00 0.00 43.02 43.09 1uay s PHE 203 CO 0.49 -0.42 1.32 -2.14 -1.46 0.00 0.00 175.22 173.00 1uay s PRO 204 N 1.35 4.35 -1.34 10.12 0.02 -1.26 -4.29 135.00 143.95 1uay s PRO 204 Ca -0.08 2.21 -0.14 0.00 0.02 0.00 0.00 61.00 63.01 1uay s PRO 204 Cb -0.05 -3.08 -0.02 0.00 0.02 0.00 0.00 34.50 31.37 1uay s PRO 204 CO -0.16 -0.21 2.30 -0.35 -0.33 0.00 0.00 177.00 178.26 1uay n PRO 205 N 1.03 2.73 -3.84 5.54 -0.04 -1.25 -4.77 135.00 134.39 1uay n PRO 205 Ca 0.01 -2.34 -0.03 0.00 -0.04 0.00 0.00 63.50 61.11 1uay n PRO 205 Cb 0.42 -3.09 0.01 0.00 -0.04 0.00 0.00 33.50 30.79 1uay n PRO 205 CO 0.00 0.00 0.00 -0.98 -0.04 0.00 0.00 175.50 174.48 1uay s ARG 206 N 3.33 1.19 0.46 0.54 1.70 -1.26 -5.00 118.95 119.91 1uay s ARG 206 Ca 0.52 -0.74 -0.22 0.00 -0.47 0.00 0.00 55.73 54.82 1uay s ARG 206 Cb 0.15 0.35 -0.08 0.00 -0.57 0.00 0.00 34.95 34.80 1uay s ARG 206 CO -0.05 -0.56 1.10 -0.51 -1.08 0.00 0.00 175.30 174.21 1uay s LEU 207 N -3.29 3.98 0.64 -1.89 1.43 -1.26 -4.97 118.68 113.32 1uay s LEU 207 Ca 0.20 2.13 -0.16 0.00 -1.03 0.00 0.00 54.13 55.27 1uay s LEU 207 Cb -0.02 -4.33 -0.01 0.00 0.03 0.00 0.00 46.19 41.86 1uay s LEU 207 CO 0.04 -0.81 1.11 -0.83 0.23 0.00 0.00 176.35 176.09 1uay s GLY 208 N -1.60 2.21 -0.03 -3.19 0.00 0.32 -4.98 107.32 100.05 1uay s GLY 208 Ca 0.64 0.57 -0.14 0.00 0.00 0.00 0.00 44.72 45.79 1uay s GLY 208 CO 0.29 0.92 0.39 0.50 0.00 0.00 0.00 173.10 175.19 1uay s ARG 209 N -4.00 3.95 0.39 2.90 0.52 -1.26 -4.41 118.95 117.03 1uay s ARG 209 Ca 0.67 0.35 0.14 0.00 -0.52 0.00 0.00 55.73 56.38 1uay s ARG 209 Cb -0.21 -3.25 0.98 0.00 0.52 0.00 0.00 34.95 32.99 1uay s ARG 209 CO 0.40 0.61 1.84 -1.35 0.02 0.00 0.00 175.30 176.82 1uay h PRO 210 N 5.07 0.50 0.00 3.54 0.11 -1.95 0.66 132.00 139.93 1uay h PRO 210 Ca -0.50 -0.03 -0.02 0.00 0.11 0.00 0.00 66.00 65.56 1uay h PRO 210 Cb 1.21 -0.11 -0.00 0.00 0.11 0.00 0.00 31.00 32.21 1uay h PRO 210 CO 0.64 0.33 -0.08 0.93 -0.21 0.00 0.00 178.00 179.61 1uay h GLU 211 N 0.52 0.00 -0.06 1.05 3.07 -1.93 -1.46 114.58 115.78 1uay h GLU 211 Ca 0.49 0.00 -0.17 0.00 -0.50 0.00 0.00 59.36 59.18 1uay h GLU 211 Cb 1.06 0.00 -0.01 0.00 -0.84 0.00 0.00 28.75 28.96 1uay h GLU 211 CO -0.22 0.08 -0.70 0.93 -1.40 0.00 0.00 179.01 177.71 1uay h GLU 212 N 0.00 0.27 -0.19 2.33 5.08 -1.26 -0.33 114.58 120.47 1uay h GLU 212 Ca -0.00 -0.22 -0.10 0.00 -1.00 0.00 0.00 59.36 58.04 1uay h GLU 212 Cb 0.19 0.04 -0.00 0.00 0.50 0.00 0.00 28.75 29.48 1uay h GLU 212 CO 0.01 0.86 -0.28 -0.92 -1.00 0.00 0.00 179.01 177.68 1uay h TYR 213 N 0.19 0.65 -0.97 4.33 5.03 -1.31 -2.85 116.97 122.04 1uay h TYR 213 Ca -0.02 -0.22 0.01 0.00 2.58 0.00 0.00 58.73 61.08 1uay h TYR 213 Cb 1.25 -0.13 -0.05 0.00 1.55 0.00 0.00 36.73 39.35 1uay h TYR 213 CO 0.03 0.92 0.63 0.00 -1.32 0.00 0.00 178.16 178.43 1uay h ALA 214 N 0.62 1.23 -0.81 1.82 0.00 -1.15 -1.63 119.26 119.34 1uay h ALA 214 Ca 0.02 -0.08 -0.01 0.00 0.00 0.00 0.00 54.91 54.84 1uay h ALA 214 Cb 0.85 -0.39 -0.04 0.00 0.00 0.00 0.00 17.79 18.21 1uay h ALA 214 CO 0.06 0.64 0.46 0.00 0.00 0.00 0.00 179.25 180.42 1uay h ALA 215 N 1.35 1.03 -0.43 0.00 0.00 -1.01 -0.78 119.26 119.41 1uay h ALA 215 Ca 0.35 -0.11 -0.09 0.00 0.00 0.00 0.00 54.91 55.07 1uay h ALA 215 Cb -0.14 -0.32 -0.01 0.00 0.00 0.00 0.00 17.79 17.32 1uay h ALA 215 CO -0.07 0.52 -0.07 1.25 0.00 0.00 0.00 179.25 180.88 1uay h LEU 216 N 1.11 0.81 -0.44 0.00 5.85 -1.20 -1.44 115.31 120.00 1uay h LEU 216 Ca 0.29 -0.34 0.03 0.00 0.84 0.00 0.00 57.88 58.69 1uay h LEU 216 Cb -0.00 -0.22 -0.03 0.00 0.37 0.00 0.00 40.66 40.78 1uay h LEU 216 CO -0.05 0.96 0.24 0.58 -0.34 0.00 0.00 178.44 179.84 1uay h VAL 217 N 0.64 1.01 -0.31 1.05 2.07 -0.92 -0.03 116.25 119.76 1uay h VAL 217 Ca 0.11 -0.17 -0.06 0.00 0.82 0.00 0.00 66.70 67.40 1uay h VAL 217 Cb 0.59 0.48 -0.02 0.00 -1.52 0.00 0.00 31.29 30.82 1uay h VAL 217 CO 0.04 0.09 -0.08 -0.07 0.02 0.00 0.00 177.57 177.56 1uay h LEU 218 N 0.49 0.49 -0.59 2.57 4.07 -1.00 -1.94 115.31 119.40 1uay h LEU 218 Ca 0.18 -0.11 -0.10 0.00 0.08 0.00 0.00 57.88 57.92 1uay h LEU 218 Cb 0.05 -0.13 -0.02 0.00 1.08 0.00 0.00 40.66 41.64 1uay h LEU 218 CO -0.10 0.61 -0.04 -0.74 -1.08 0.00 0.00 178.44 177.09 1uay h HIS 219 N 0.48 1.18 -0.71 1.13 2.76 -0.49 -2.18 115.15 117.32 1uay h HIS 219 Ca 0.09 -0.22 0.04 0.00 -2.20 0.00 0.00 60.37 58.09 1uay h HIS 219 Cb 0.44 -0.30 -0.05 0.00 1.55 0.00 0.00 27.41 29.05 1uay h HIS 219 CO 0.01 1.05 0.43 0.82 -1.30 0.00 0.00 177.93 178.95 1uay h ILE 220 N 0.97 1.06 -0.28 6.26 2.04 -0.53 -0.67 117.51 126.35 1uay h ILE 220 Ca 0.16 -0.28 -0.02 0.00 1.00 0.00 0.00 64.86 65.71 1uay h ILE 220 Cb 0.61 0.15 -0.02 0.00 -0.74 0.00 0.00 36.82 36.82 1uay h ILE 220 CO 0.04 0.15 0.07 -0.07 0.00 0.00 0.00 178.15 178.34 1uay h LEU 221 N 0.83 0.37 -0.42 1.44 3.38 -1.01 -2.76 115.31 117.13 1uay h LEU 221 Ca 0.30 -0.04 0.00 0.00 0.09 0.00 0.00 57.88 58.23 1uay h LEU 221 Cb 0.08 -0.09 0.00 0.00 0.09 0.00 0.00 40.66 40.74 1uay h LEU 221 CO -0.14 0.38 -0.26 -0.62 0.09 0.00 0.00 178.44 177.89 1uay n GLU 222 N -4.38 0.74 -3.91 1.13 1.02 -0.55 -4.73 120.64 109.97 1uay n GLU 222 Ca 0.01 -0.42 -0.33 0.00 -0.02 0.00 0.00 57.16 56.41 1uay n GLU 222 Cb 0.16 -1.49 -0.13 0.00 -0.02 0.00 0.00 31.44 29.96 1uay n GLU 222 CO 0.00 0.00 0.00 1.21 1.18 0.00 0.00 177.13 179.52 1uay s ASN 223 N -2.55 4.90 0.52 1.62 3.84 -0.37 -4.98 114.94 117.93 1uay s ASN 223 Ca 0.24 -2.28 0.27 0.00 0.21 0.00 0.00 52.86 51.29 1uay s ASN 223 Cb 0.19 -1.71 1.40 0.00 -0.55 0.00 0.00 41.25 40.58 1uay s ASN 223 CO 0.53 -0.41 1.95 -0.65 -2.79 0.00 0.00 177.10 175.73 1uay h PRO 224 N 7.57 0.03 0.00 0.43 0.11 -1.85 -2.16 132.00 136.13 1uay h PRO 224 Ca -0.07 -0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.04 1uay h PRO 224 Cb 1.01 -0.01 0.00 0.00 0.11 0.00 0.00 31.00 32.11 1uay h PRO 224 CO 0.61 0.02 0.00 -1.33 -0.21 0.00 0.00 178.00 177.09 1uay n MET 225 N -4.35 0.12 -2.76 1.05 2.81 -1.26 -4.62 117.12 108.11 1uay n MET 225 Ca 0.13 0.23 -0.43 0.00 -1.81 0.00 0.00 57.70 55.82 1uay n MET 225 Cb 0.72 -1.69 -0.03 0.00 -0.71 0.00 0.00 33.22 31.51 1uay n MET 225 CO 0.00 0.00 0.00 -0.51 1.51 0.00 0.00 175.97 176.97 1uay s LEU 226 N -3.82 3.91 -0.23 4.03 1.43 -0.82 -4.98 118.68 118.21 1uay s LEU 226 Ca 0.09 0.41 -0.26 0.00 -1.03 0.00 0.00 54.13 53.34 1uay s LEU 226 Cb 0.12 -3.32 0.07 0.00 0.03 0.00 0.00 46.19 43.10 1uay s LEU 226 CO 0.45 -1.02 0.72 0.21 0.23 0.00 0.00 176.35 176.94 1uay s ASN 227 N 2.14 -0.73 -2.08 2.29 2.47 -1.26 -4.85 114.94 112.92 1uay s ASN 227 Ca 0.40 1.30 0.00 0.00 0.42 0.00 0.00 52.86 54.98 1uay s ASN 227 Cb -0.10 1.28 0.00 0.00 -1.45 0.00 0.00 41.25 40.97 1uay s ASN 227 CO 0.24 -0.32 0.00 0.61 -3.72 0.00 0.00 177.10 173.91 1uay n GLY 228 N 2.33 1.69 3.54 1.21 0.00 0.24 -4.97 105.19 109.23 1uay n GLY 228 Ca -0.15 -0.05 -0.25 0.00 0.00 0.00 0.00 46.02 45.57 1uay n GLY 228 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1uay s GLU 229 N -3.81 1.95 -0.21 1.61 2.56 -1.26 -4.43 118.70 115.10 1uay s GLU 229 Ca 0.00 -1.49 -0.03 0.00 0.00 0.00 0.00 54.97 53.45 1uay s GLU 229 Cb 0.00 -2.01 -0.00 0.00 2.00 0.00 0.00 34.13 34.12 1uay s GLU 229 CO 0.00 0.38 -0.06 0.08 -0.56 0.00 0.00 175.26 175.10 1uay s VAL 230 N -2.10 3.21 -0.29 3.70 1.01 -1.26 -1.33 120.40 123.34 1uay s VAL 230 Ca 0.28 -0.55 -0.09 0.00 0.00 0.00 0.00 61.98 61.62 1uay s VAL 230 Cb -0.07 -2.45 -0.01 0.00 0.00 0.00 0.00 36.38 33.85 1uay s VAL 230 CO 0.16 0.44 0.12 -0.69 0.00 0.00 0.00 175.10 175.12 1uay s VAL 231 N 1.45 4.44 -0.02 2.92 1.01 0.66 -4.93 120.40 125.93 1uay s VAL 231 Ca 0.06 -0.37 -0.30 0.00 0.00 0.00 0.00 61.98 61.37 1uay s VAL 231 Cb -0.14 -3.21 -0.03 0.00 0.00 0.00 0.00 36.38 33.00 1uay s VAL 231 CO -0.04 0.16 1.05 -0.13 0.00 0.00 0.00 175.10 176.14 1uay s ARG 232 N 1.60 4.48 -0.56 2.72 0.52 -1.26 -0.29 118.95 126.17 1uay s ARG 232 Ca 0.05 1.51 0.04 0.00 -0.52 0.00 0.00 55.73 56.81 1uay s ARG 232 Cb -0.16 -3.46 0.15 0.00 0.52 0.00 0.00 34.95 31.99 1uay s ARG 232 CO 0.05 -0.19 0.35 -1.17 0.02 0.00 0.00 175.30 174.36 1uay s LEU 233 N 1.35 3.86 0.00 2.53 2.96 -0.60 -4.92 118.68 123.87 1uay s LEU 233 Ca 0.53 -3.23 0.00 0.00 -0.22 0.00 0.00 54.13 51.21 1uay s LEU 233 Cb -0.22 -1.39 0.00 0.00 0.50 0.00 0.00 46.19 45.08 1uay s LEU 233 CO 0.26 -0.18 0.64 -0.90 -1.32 0.00 0.00 176.35 174.85 1uay n ASP 234 N 2.77 0.00 -2.25 3.68 5.68 -1.26 -0.55 116.55 124.62 1uay n ASP 234 Ca 0.13 -1.38 -0.18 0.00 -0.50 0.00 0.00 54.79 52.86 1uay n ASP 234 Cb 0.35 -0.08 -0.02 0.00 -1.14 0.00 0.00 41.12 40.23 1uay n ASP 234 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1uay n GLY 235 N 0.00 -0.08 2.29 6.12 0.00 -1.26 -1.27 105.19 110.98 1uay n GLY 235 Ca 0.00 0.00 -0.05 0.00 0.00 0.00 0.00 46.02 45.97 1uay n GLY 235 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1uay n ALA 236 N -1.50 -0.08 -1.77 4.61 0.00 -1.26 -2.07 120.51 118.44 1uay n ALA 236 Ca -0.21 0.08 -0.41 0.00 0.00 0.00 0.00 53.44 52.91 1uay n ALA 236 Cb 0.65 -0.92 -0.02 0.00 0.00 0.00 0.00 19.45 19.16 1uay n ALA 236 CO 0.00 0.00 0.00 -1.17 0.00 0.00 0.00 177.50 176.33 1uay s LEU 237 N -1.19 4.41 -0.28 0.00 2.96 -0.40 -4.64 118.68 119.54 1uay s LEU 237 Ca 0.00 2.69 -0.04 0.00 -0.22 0.00 0.00 54.13 56.56 1uay s LEU 237 Cb 0.00 -3.67 0.10 0.00 0.50 0.00 0.00 46.19 43.12 1uay s LEU 237 CO 0.00 -0.56 0.12 -0.13 -1.32 0.00 0.00 176.35 174.46 1uay s ARG 238 N -1.83 0.26 0.15 1.98 1.81 -1.26 -4.99 118.95 115.06 1uay s ARG 238 Ca 0.50 -0.57 -0.31 0.00 -1.72 0.00 0.00 55.73 53.62 1uay s ARG 238 Cb -0.40 -1.32 -0.11 0.00 -0.45 0.00 0.00 34.95 32.67 1uay s ARG 238 CO 0.53 -0.99 1.79 -1.64 -0.68 0.00 0.00 175.30 174.31 1uay s MET 239 N 2.03 4.13 0.89 3.54 -1.94 -1.26 -5.01 119.30 121.69 1uay s MET 239 Ca 0.09 2.59 -0.13 0.00 -1.71 0.00 0.00 55.69 56.53 1uay s MET 239 Cb -0.16 -3.43 0.13 0.00 2.01 0.00 0.00 34.83 33.37 1uay s MET 239 CO -0.33 -0.81 1.19 0.00 -0.01 0.00 0.00 175.02 175.06 1uay s ALA 240 N 2.25 2.22 0.38 3.03 0.00 -1.26 -4.86 121.76 123.53 1uay s ALA 240 Ca 0.79 -0.73 0.12 0.00 0.00 0.00 0.00 51.96 52.13 1uay s ALA 240 Cb -0.47 -2.94 0.91 0.00 0.00 0.00 0.00 23.12 20.62 1uay s ALA 240 CO 0.35 -2.09 1.89 -1.35 0.00 0.00 0.00 175.76 174.55 1uay h PRO 241 N -1.37 0.57 0.00 0.00 0.11 -1.93 -3.43 132.00 125.95 1uay h PRO 241 Ca -0.47 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 65.61 1uay h PRO 241 Cb 1.31 -0.13 0.00 0.00 0.11 0.00 0.00 31.00 32.29 1uay h PRO 241 CO 0.58 0.37 0.00 0.54 -0.21 0.00 0.00 178.00 179.28