#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2hsd s ASP 3 N 0.00 3.01 -0.08 1.20 1.01 -1.26 -4.95 116.67 115.60 2hsd s ASP 3 Ca 0.00 -0.98 -0.07 0.00 0.71 0.00 0.00 52.55 52.21 2hsd s ASP 3 Cb 0.00 -0.37 -0.04 0.00 1.01 0.00 0.00 42.92 43.52 2hsd s ASP 3 CO 0.00 -0.39 0.19 -0.22 0.21 0.00 0.00 175.17 174.97 2hsd s LEU 4 N 2.06 4.40 -0.51 1.23 2.96 -1.26 -4.85 118.68 122.71 2hsd s LEU 4 Ca 0.05 0.53 0.06 0.00 -0.22 0.00 0.00 54.13 54.55 2hsd s LEU 4 Cb -0.16 -2.27 0.21 0.00 0.50 0.00 0.00 46.19 44.47 2hsd s LEU 4 CO -0.21 0.36 0.52 -1.20 -1.32 0.00 0.00 176.35 174.50 2hsd n SER 5 N 1.73 1.31 -2.08 3.68 7.64 -0.36 -4.52 113.62 121.02 2hsd n SER 5 Ca -0.17 -2.87 -0.14 0.00 1.01 0.00 0.00 58.87 56.70 2hsd n SER 5 Cb 0.54 -0.64 -0.16 0.00 -1.01 0.00 0.00 64.21 62.94 2hsd n SER 5 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2hsd n GLY 6 N 1.76 3.10 1.77 0.23 0.00 -1.26 -1.50 105.19 109.29 2hsd n GLY 6 Ca 0.25 -1.24 -0.12 0.00 0.00 0.00 0.00 46.02 44.91 2hsd n GLY 6 CO 0.00 0.00 0.00 0.58 0.00 0.00 0.00 173.32 173.90 2hsd n LYS 7 N 2.51 0.40 -4.32 1.61 2.85 -1.26 -5.00 118.16 114.96 2hsd n LYS 7 Ca 0.45 -1.84 -0.33 0.00 -1.05 0.00 0.00 58.31 55.54 2hsd n LYS 7 Cb 0.88 1.32 -0.16 0.00 -0.65 0.00 0.00 35.03 36.43 2hsd n LYS 7 CO 0.00 0.00 0.00 -0.08 -0.05 0.00 0.00 177.40 177.27 2hsd s THR 8 N -2.61 2.44 0.00 0.58 -1.32 -1.26 -0.38 115.64 113.10 2hsd s THR 8 Ca 0.18 -0.83 0.05 0.00 -1.21 0.00 0.00 61.69 59.88 2hsd s THR 8 Cb 0.01 -2.04 -0.01 0.00 -1.51 0.00 0.00 72.50 68.95 2hsd s THR 8 CO 0.13 0.52 -0.14 0.68 -2.21 0.00 0.00 174.62 173.59 2hsd s VAL 9 N 1.08 1.13 -0.13 5.08 -7.23 -0.34 0.20 120.40 120.20 2hsd s VAL 9 Ca -0.00 -0.70 -0.06 0.00 -1.81 0.00 0.00 61.98 59.40 2hsd s VAL 9 Cb -0.14 -0.96 -0.04 0.00 0.56 0.00 0.00 36.38 35.80 2hsd s VAL 9 CO -0.05 0.24 0.10 -0.51 -0.31 0.00 0.00 175.10 174.57 2hsd s ILE 10 N -0.46 5.13 -0.22 -0.62 2.07 -0.47 -2.32 121.20 124.32 2hsd s ILE 10 Ca 0.05 0.07 0.01 0.00 -1.41 0.00 0.00 60.65 59.37 2hsd s ILE 10 Cb -0.06 -3.24 0.03 0.00 0.13 0.00 0.00 42.46 39.32 2hsd s ILE 10 CO -0.00 0.58 -0.15 -0.63 -1.91 0.00 0.00 174.94 172.83 2hsd s ILE 11 N -0.68 2.27 0.31 2.00 1.01 -0.20 -1.58 121.20 124.33 2hsd s ILE 11 Ca 0.12 -1.14 -0.12 0.00 0.00 0.00 0.00 60.65 59.52 2hsd s ILE 11 Cb -0.12 -2.10 -0.08 0.00 0.01 0.00 0.00 42.46 40.17 2hsd s ILE 11 CO 0.02 0.32 0.67 -0.89 0.00 0.00 0.00 174.94 175.07 2hsd s THR 12 N 1.25 4.79 -1.21 2.92 2.01 -0.94 -1.02 115.64 123.44 2hsd s THR 12 Ca 0.00 0.70 0.00 0.00 0.31 0.00 0.00 61.69 62.70 2hsd s THR 12 Cb -0.16 -3.64 0.00 0.00 0.01 0.00 0.00 72.50 68.72 2hsd s THR 12 CO -0.09 -0.21 0.00 0.61 -0.69 0.00 0.00 174.62 174.24 2hsd n GLY 13 N -0.48 0.79 0.28 4.40 0.00 -0.34 -3.21 105.19 106.64 2hsd n GLY 13 Ca 0.02 -0.42 0.16 0.00 0.00 0.00 0.00 46.02 45.77 2hsd n GLY 13 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 2hsd h GLY 14 N 0.00 0.00 0.90 -0.02 0.00 -1.36 -3.29 103.07 99.30 2hsd h GLY 14 Ca -0.27 0.00 0.14 0.00 0.00 0.00 0.00 47.33 47.20 2hsd h GLY 14 CO 0.36 0.00 0.41 0.00 0.00 0.00 0.00 176.54 177.31 2hsd h ALA 15 N 1.93 2.32 -3.05 3.60 0.00 -1.90 -3.11 119.26 119.04 2hsd h ALA 15 Ca -0.00 -0.01 -0.05 0.00 0.00 0.00 0.00 54.91 54.84 2hsd h ALA 15 Cb 0.34 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.13 2hsd h ALA 15 CO 0.01 -0.48 0.23 2.89 0.00 0.00 0.00 179.25 181.90 2hsd n ARG 16 N -4.42 1.06 0.00 0.00 1.85 -1.24 -4.49 116.66 109.41 2hsd n ARG 16 Ca 0.11 -2.20 0.00 0.00 -1.00 0.00 0.00 57.85 54.76 2hsd n ARG 16 Cb 0.54 2.67 0.00 0.00 -1.05 0.00 0.00 32.46 34.62 2hsd n ARG 16 CO 0.00 0.00 0.00 0.41 -0.01 0.00 0.00 177.63 178.03 2hsd n GLY 17 N -0.52 3.01 0.14 2.89 0.00 -1.26 -3.07 105.19 106.38 2hsd n GLY 17 Ca -0.08 -0.34 -0.13 0.00 0.00 0.00 0.00 46.02 45.47 2hsd n GLY 17 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 2hsd h LEU 18 N 0.00 -0.25 -0.90 0.99 7.12 -1.93 -2.36 115.31 117.98 2hsd h LEU 18 Ca 0.00 0.02 0.18 0.00 0.13 0.00 0.00 57.88 58.21 2hsd h LEU 18 Cb 0.00 0.08 -0.17 0.00 -0.53 0.00 0.00 40.66 40.04 2hsd h LEU 18 CO 0.00 -0.16 -0.23 1.23 -0.13 0.00 0.00 178.44 179.15 2hsd h GLY 19 N -0.25 0.65 0.80 3.75 0.00 -1.69 0.37 103.07 106.68 2hsd h GLY 19 Ca -0.01 0.30 -0.01 0.00 0.00 0.00 0.00 47.33 47.61 2hsd h GLY 19 CO 0.01 -0.34 0.02 0.00 0.00 0.00 0.00 176.54 176.22 2hsd h ALA 20 N 1.90 0.16 0.00 3.60 0.00 -1.44 -2.10 119.26 121.38 2hsd h ALA 20 Ca 0.43 -0.16 -0.01 0.00 0.00 0.00 0.00 54.91 55.17 2hsd h ALA 20 Cb 0.66 -0.04 -0.00 0.00 0.00 0.00 0.00 17.79 18.40 2hsd h ALA 20 CO -0.93 -0.18 -0.06 1.49 0.00 0.00 0.00 179.25 179.56 2hsd h GLU 21 N -0.03 0.00 0.00 0.00 4.57 -0.61 -0.45 114.58 118.05 2hsd h GLU 21 Ca 0.04 0.00 -0.24 0.00 -1.18 0.00 0.00 59.36 57.98 2hsd h GLU 21 Cb 0.30 0.00 0.02 0.00 -0.16 0.00 0.00 28.75 28.91 2hsd h GLU 21 CO 0.00 0.06 -0.94 0.00 -1.18 0.00 0.00 179.01 176.96 2hsd h ALA 22 N 1.94 0.11 -0.01 2.92 0.00 -0.76 -2.81 119.26 120.65 2hsd h ALA 22 Ca -0.00 -0.67 0.02 0.00 0.00 0.00 0.00 54.91 54.26 2hsd h ALA 22 Cb 0.16 0.05 -0.02 0.00 0.00 0.00 0.00 17.79 17.98 2hsd h ALA 22 CO 0.01 0.60 -0.10 0.00 0.00 0.00 0.00 179.25 179.76 2hsd h ALA 23 N 0.38 -0.10 0.12 0.00 0.00 -0.59 0.34 119.26 119.42 2hsd h ALA 23 Ca -0.12 0.01 0.02 0.00 0.00 0.00 0.00 54.91 54.82 2hsd h ALA 23 Cb 1.60 0.18 -0.03 0.00 0.00 0.00 0.00 17.79 19.54 2hsd h ALA 23 CO 0.18 -0.59 -0.23 0.00 0.00 0.00 0.00 179.25 178.62 2hsd h ARG 24 N -0.16 -0.41 -0.49 0.00 3.08 -1.19 0.81 114.38 116.01 2hsd h ARG 24 Ca 0.04 0.03 -0.03 0.00 0.07 0.00 0.00 59.98 60.09 2hsd h ARG 24 Cb 0.22 0.09 -0.02 0.00 0.08 0.00 0.00 29.97 30.33 2hsd h ARG 24 CO -0.11 -0.27 0.19 1.96 -1.07 0.00 0.00 179.97 180.66 2hsd h GLN 25 N -0.42 0.71 0.49 0.04 4.20 -1.19 0.16 115.11 119.10 2hsd h GLN 25 Ca 0.03 -0.11 -0.02 0.00 0.06 0.00 0.00 58.65 58.61 2hsd h GLN 25 Cb 0.44 -0.13 0.00 0.00 0.30 0.00 0.00 27.48 28.10 2hsd h GLN 25 CO -0.12 0.60 -0.24 0.00 -0.67 0.00 0.00 178.83 178.40 2hsd h ALA 26 N 1.50 -0.66 -0.99 3.87 0.00 0.02 0.18 119.26 123.18 2hsd h ALA 26 Ca 0.17 -0.19 0.19 0.00 0.00 0.00 0.00 54.91 55.08 2hsd h ALA 26 Cb 0.16 0.25 -0.10 0.00 0.00 0.00 0.00 17.79 18.10 2hsd h ALA 26 CO -0.01 -0.72 0.61 0.28 0.00 0.00 0.00 179.25 179.41 2hsd h VAL 27 N -0.96 0.70 -0.31 0.00 2.07 -0.65 0.57 116.25 117.66 2hsd h VAL 27 Ca -0.07 -0.24 -0.07 0.00 0.82 0.00 0.00 66.70 67.14 2hsd h VAL 27 Cb 0.60 -0.07 -0.02 0.00 -1.52 0.00 0.00 31.29 30.28 2hsd h VAL 27 CO 0.11 0.13 -0.09 0.00 0.02 0.00 0.00 177.57 177.74 2hsd h ALA 28 N 1.64 1.27 0.00 1.67 0.00 -0.38 -0.88 119.26 122.58 2hsd h ALA 28 Ca 0.57 -0.25 0.00 0.00 0.00 0.00 0.00 54.91 55.22 2hsd h ALA 28 Cb 0.96 -0.14 0.00 0.00 0.00 0.00 0.00 17.79 18.61 2hsd h ALA 28 CO -0.35 0.49 0.00 0.00 0.00 0.00 0.00 179.25 179.38 2hsd n ALA 29 N -2.48 2.31 -0.19 0.00 0.00 0.19 -4.84 120.51 115.51 2hsd n ALA 29 Ca 0.01 -0.14 0.00 0.00 0.00 0.00 0.00 53.44 53.31 2hsd n ALA 29 Cb 0.30 -1.37 0.00 0.00 0.00 0.00 0.00 19.45 18.38 2hsd n ALA 29 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2hsd n GLY 30 N 0.46 0.88 3.83 0.00 0.00 -0.33 -1.22 105.19 108.80 2hsd n GLY 30 Ca 0.16 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.86 2hsd n GLY 30 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2hsd s ALA 31 N -2.04 3.02 -0.20 4.61 0.00 -0.56 -4.28 121.76 122.31 2hsd s ALA 31 Ca 0.00 0.26 -0.08 0.00 0.00 0.00 0.00 51.96 52.13 2hsd s ALA 31 Cb 0.00 -3.14 -0.04 0.00 0.00 0.00 0.00 23.12 19.94 2hsd s ALA 31 CO 0.00 -0.24 0.09 1.03 0.00 0.00 0.00 175.76 176.63 2hsd s ARG 32 N -3.90 4.00 0.01 0.00 3.00 0.49 -4.17 118.95 118.38 2hsd s ARG 32 Ca 0.60 -0.32 0.07 0.00 0.00 0.00 0.00 55.73 56.08 2hsd s ARG 32 Cb -0.11 -3.29 -0.03 0.00 0.00 0.00 0.00 34.95 31.52 2hsd s ARG 32 CO 0.29 0.22 -0.21 0.08 0.00 0.00 0.00 175.30 175.68 2hsd s VAL 33 N 0.53 2.55 -0.33 3.52 1.01 0.64 -1.19 120.40 127.13 2hsd s VAL 33 Ca 0.05 -1.10 0.03 0.00 0.00 0.00 0.00 61.98 60.95 2hsd s VAL 33 Cb -0.12 -2.00 0.09 0.00 0.00 0.00 0.00 36.38 34.35 2hsd s VAL 33 CO 0.01 0.46 0.03 -0.69 0.00 0.00 0.00 175.10 174.91 2hsd s VAL 34 N -0.78 2.39 0.34 2.92 1.01 -0.98 -1.37 120.40 123.93 2hsd s VAL 34 Ca 0.12 -2.14 -0.25 0.00 0.00 0.00 0.00 61.98 59.71 2hsd s VAL 34 Cb -0.10 -2.67 -0.10 0.00 0.00 0.00 0.00 36.38 33.51 2hsd s VAL 34 CO 0.02 -0.47 0.94 -0.76 0.00 0.00 0.00 175.10 174.83 2hsd s LEU 35 N 0.98 4.27 0.01 3.92 1.43 0.19 -1.03 118.68 128.46 2hsd s LEU 35 Ca 0.06 1.81 0.00 0.00 -1.03 0.00 0.00 54.13 54.97 2hsd s LEU 35 Cb -0.20 -4.10 -0.01 0.00 0.03 0.00 0.00 46.19 41.91 2hsd s LEU 35 CO -0.07 -0.12 -0.02 0.00 0.23 0.00 0.00 176.35 176.38 2hsd s ALA 36 N -1.71 0.09 -0.08 4.21 0.00 -0.19 0.00 121.76 124.09 2hsd s ALA 36 Ca 0.52 -0.41 -0.30 0.00 0.00 0.00 0.00 51.96 51.77 2hsd s ALA 36 Cb -0.17 0.10 0.10 0.00 0.00 0.00 0.00 23.12 23.15 2hsd s ALA 36 CO 0.22 -0.11 1.36 0.34 0.00 0.00 0.00 175.76 177.57 2hsd s ASP 37 N -1.00 0.00 -0.16 0.00 -1.08 -1.03 -1.19 116.67 112.21 2hsd s ASP 37 Ca -0.11 -0.05 0.13 0.00 -0.52 0.00 0.00 52.55 52.00 2hsd s ASP 37 Cb -0.07 0.03 -0.23 0.00 -1.46 0.00 0.00 42.92 41.19 2hsd s ASP 37 CO -0.01 -0.07 0.19 1.33 0.52 0.00 0.00 175.17 177.14 2hsd n VAL 38 N -0.98 1.48 -2.08 1.11 0.24 -1.25 -0.96 118.33 115.90 2hsd n VAL 38 Ca 0.06 -0.79 -0.37 0.00 -2.04 0.00 0.00 64.34 61.21 2hsd n VAL 38 Cb 0.58 -0.82 -0.03 0.00 -1.47 0.00 0.00 33.84 32.10 2hsd n VAL 38 CO 0.00 0.00 0.00 0.18 -2.14 0.00 0.00 176.83 174.87 2hsd n LEU 39 N -2.94 4.21 0.06 1.34 4.32 -1.26 -4.74 117.00 117.99 2hsd n LEU 39 Ca -0.31 -3.48 0.05 0.00 -0.02 0.00 0.00 56.01 52.24 2hsd n LEU 39 Cb 1.10 -1.65 0.46 0.00 -1.62 0.00 0.00 43.42 41.72 2hsd n LEU 39 CO 0.41 -0.67 1.13 0.44 -1.22 0.00 0.00 177.39 177.48 2hsd h ASP 40 N 8.36 0.37 0.69 -1.43 3.32 -1.98 0.79 116.42 126.55 2hsd h ASP 40 Ca 0.36 -0.01 -0.03 0.00 0.02 0.00 0.00 57.03 57.36 2hsd h ASP 40 Cb 0.85 -0.09 0.01 0.00 0.22 0.00 0.00 39.33 40.31 2hsd h ASP 40 CO 1.47 0.28 -0.33 -0.33 -1.72 0.00 0.00 179.24 178.61 2hsd h GLU 41 N 0.43 -0.90 -0.27 3.56 3.07 -2.00 -1.62 114.58 116.85 2hsd h GLU 41 Ca 0.11 0.06 -0.12 0.00 -0.50 0.00 0.00 59.36 58.92 2hsd h GLU 41 Cb -0.02 0.20 -0.01 0.00 -0.84 0.00 0.00 28.75 28.08 2hsd h GLU 41 CO -0.02 -0.60 -0.34 1.49 -1.40 0.00 0.00 179.01 178.14 2hsd h GLU 42 N -1.11 0.58 -0.49 2.33 4.81 -1.90 -3.02 114.58 115.78 2hsd h GLU 42 Ca -0.10 -0.26 0.03 0.00 -0.13 0.00 0.00 59.36 58.91 2hsd h GLU 42 Cb 0.71 -0.01 -0.04 0.00 0.63 0.00 0.00 28.75 30.05 2hsd h GLU 42 CO 0.16 0.84 0.26 0.78 -0.73 0.00 0.00 179.01 180.32 2hsd h GLY 43 N 1.03 0.69 0.95 1.92 0.00 -0.85 -2.17 103.07 104.64 2hsd h GLY 43 Ca 0.05 -0.19 -0.03 0.00 0.00 0.00 0.00 47.33 47.17 2hsd h GLY 43 CO 0.07 0.14 -0.34 0.00 0.00 0.00 0.00 176.54 176.41 2hsd h ALA 44 N 1.25 -0.91 -0.71 3.60 0.00 -1.20 -2.08 119.26 119.21 2hsd h ALA 44 Ca 0.21 -0.19 0.11 0.00 0.00 0.00 0.00 54.91 55.04 2hsd h ALA 44 Cb 0.08 0.39 -0.12 0.00 0.00 0.00 0.00 17.79 18.14 2hsd h ALA 44 CO -0.13 -1.02 -0.38 0.00 0.00 0.00 0.00 179.25 177.73 2hsd h ALA 45 N -0.57 -0.06 0.12 0.00 0.00 -1.39 -0.22 119.26 117.14 2hsd h ALA 45 Ca -0.08 0.18 0.02 0.00 0.00 0.00 0.00 54.91 55.03 2hsd h ALA 45 Cb 0.71 0.89 -0.03 0.00 0.00 0.00 0.00 17.79 19.36 2hsd h ALA 45 CO 0.12 -0.70 -0.28 1.15 0.00 0.00 0.00 179.25 179.55 2hsd h THR 46 N -0.13 0.40 -0.55 0.00 2.02 -1.32 0.04 112.91 113.36 2hsd h THR 46 Ca 0.25 0.00 0.11 0.00 0.77 0.00 0.00 66.41 67.54 2hsd h THR 46 Cb 0.56 0.40 -0.09 0.00 -1.74 0.00 0.00 68.15 67.28 2hsd h THR 46 CO -0.77 0.00 0.01 0.00 0.37 0.00 0.00 175.52 175.13 2hsd h ALA 47 N 0.22 0.54 0.02 6.16 0.00 -0.61 0.46 119.26 126.04 2hsd h ALA 47 Ca 0.03 0.16 0.03 0.00 0.00 0.00 0.00 54.91 55.13 2hsd h ALA 47 Cb 0.52 0.27 -0.04 0.00 0.00 0.00 0.00 17.79 18.54 2hsd h ALA 47 CO -0.16 -0.38 -0.26 -0.09 0.00 0.00 0.00 179.25 178.37 2hsd h ARG 48 N 0.13 -0.39 0.00 0.00 2.43 -0.42 0.81 114.38 116.93 2hsd h ARG 48 Ca 0.28 0.03 0.00 0.00 -0.81 0.00 0.00 59.98 59.48 2hsd h ARG 48 Cb 0.44 0.09 0.00 0.00 -0.42 0.00 0.00 29.97 30.08 2hsd h ARG 48 CO -0.46 -0.26 0.00 0.93 -1.51 0.00 0.00 179.97 178.67 2hsd h GLU 49 N -0.41 0.00 0.00 0.20 4.39 0.47 -0.48 114.58 118.76 2hsd h GLU 49 Ca 0.06 0.00 -0.19 0.00 0.34 0.00 0.00 59.36 59.56 2hsd h GLU 49 Cb 0.48 0.00 -0.03 0.00 -0.10 0.00 0.00 28.75 29.10 2hsd h GLU 49 CO -0.22 0.00 -1.37 -0.07 -1.16 0.00 0.00 179.01 176.20 2hsd h LEU 50 N 0.00 0.00 0.00 1.33 3.38 0.12 -3.51 115.31 116.63 2hsd h LEU 50 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 2hsd h LEU 50 Cb 0.07 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.82 2hsd h LEU 50 CO 0.00 0.70 0.00 0.61 0.09 0.00 0.00 178.44 179.84 2hsd n GLY 51 N 1.41 -0.03 0.00 0.83 0.00 -0.19 -4.60 105.19 102.62 2hsd n GLY 51 Ca -0.10 -2.25 0.07 0.00 0.00 0.00 0.00 46.02 43.74 2hsd n GLY 51 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 2hsd n ASP 52 N 0.00 0.00 -1.01 1.61 2.03 -1.26 -2.30 116.55 115.62 2hsd n ASP 52 Ca 0.00 -1.53 0.10 0.00 0.52 0.00 0.00 54.79 53.88 2hsd n ASP 52 Cb 0.00 0.00 0.18 0.00 -0.72 0.00 0.00 41.12 40.58 2hsd n ASP 52 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 2hsd n ALA 53 N -0.73 2.40 -2.35 -1.67 0.00 -1.26 -4.93 120.51 111.98 2hsd n ALA 53 Ca 0.11 -0.95 -0.30 0.00 0.00 0.00 0.00 53.44 52.30 2hsd n ALA 53 Cb 0.05 -0.76 -0.16 0.00 0.00 0.00 0.00 19.45 18.58 2hsd n ALA 53 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2hsd s ALA 54 N -1.40 2.04 0.02 0.00 0.00 -0.97 -0.26 121.76 121.18 2hsd s ALA 54 Ca 0.33 -1.07 0.03 0.00 0.00 0.00 0.00 51.96 51.25 2hsd s ALA 54 Cb 0.20 -0.51 -0.02 0.00 0.00 0.00 0.00 23.12 22.79 2hsd s ALA 54 CO 0.28 0.50 -0.09 1.03 0.00 0.00 0.00 175.76 177.47 2hsd s ARG 55 N -0.65 0.67 -0.14 0.00 1.81 -0.47 -4.82 118.95 115.34 2hsd s ARG 55 Ca 0.10 -0.55 -0.01 0.00 -1.72 0.00 0.00 55.73 53.55 2hsd s ARG 55 Cb -0.09 -0.59 -0.01 0.00 -0.45 0.00 0.00 34.95 33.80 2hsd s ARG 55 CO -0.01 0.15 -0.12 -0.47 -0.68 0.00 0.00 175.30 174.17 2hsd s TYR 56 N -0.72 2.84 -0.06 -0.53 5.04 -1.26 0.56 117.35 123.22 2hsd s TYR 56 Ca -0.01 -0.70 0.04 0.00 -2.44 0.00 0.00 57.07 53.96 2hsd s TYR 56 Cb -0.06 -1.88 -0.00 0.00 0.35 0.00 0.00 41.96 40.36 2hsd s TYR 56 CO 0.00 -0.26 -0.19 -0.65 -1.34 0.00 0.00 175.55 173.11 2hsd s GLN 57 N 0.51 2.09 0.18 4.97 -1.52 0.10 -4.94 119.66 121.06 2hsd s GLN 57 Ca -0.08 -0.67 -0.30 0.00 -1.95 0.00 0.00 55.36 52.36 2hsd s GLN 57 Cb -0.16 -1.74 -0.08 0.00 -0.22 0.00 0.00 33.01 30.81 2hsd s GLN 57 CO 0.04 0.22 1.06 -1.58 -0.25 0.00 0.00 175.29 174.78 2hsd s HIS 58 N 0.15 3.67 -0.27 0.91 5.65 -1.26 -2.45 115.29 121.69 2hsd s HIS 58 Ca -0.08 1.67 -0.05 0.00 0.25 0.00 0.00 55.06 56.86 2hsd s HIS 58 Cb -0.14 -3.21 0.14 0.00 -1.18 0.00 0.00 32.58 28.20 2hsd s HIS 58 CO 0.04 -0.36 0.53 -1.17 -0.65 0.00 0.00 174.74 173.13 2hsd s LEU 59 N -0.49 -1.03 -0.25 8.88 2.96 -0.13 -4.82 118.68 123.79 2hsd s LEU 59 Ca 0.48 0.94 -0.20 0.00 -0.22 0.00 0.00 54.13 55.13 2hsd s LEU 59 Cb -0.28 1.83 -0.02 0.00 0.50 0.00 0.00 46.19 48.22 2hsd s LEU 59 CO 0.34 -0.25 0.60 -0.62 -1.32 0.00 0.00 176.35 175.10 2hsd s ASP 60 N 2.76 6.54 0.63 3.68 -1.08 -1.26 -3.85 116.67 124.09 2hsd s ASP 60 Ca 0.08 0.66 0.34 0.00 -0.52 0.00 0.00 52.55 53.11 2hsd s ASP 60 Cb -0.14 -2.32 1.89 0.00 -1.46 0.00 0.00 42.92 40.89 2hsd s ASP 60 CO -0.18 -0.34 2.14 1.62 0.52 0.00 0.00 175.17 178.94 2hsd h VAL 61 N 5.39 0.22 -0.08 1.11 3.04 -1.94 -2.42 116.25 121.57 2hsd h VAL 61 Ca -0.28 0.00 0.00 0.00 -1.01 0.00 0.00 66.70 65.41 2hsd h VAL 61 Cb 1.13 0.85 0.00 0.00 -2.01 0.00 0.00 31.29 31.26 2hsd h VAL 61 CO 0.76 0.00 0.00 0.35 -1.01 0.00 0.00 177.57 177.67 2hsd n THR 62 N -3.36 0.08 -3.92 3.17 -2.24 -1.26 -4.40 114.28 102.35 2hsd n THR 62 Ca -0.01 -0.33 -0.35 0.00 -2.27 0.00 0.00 64.05 61.09 2hsd n THR 62 Cb 0.25 0.62 -0.14 0.00 -2.10 0.00 0.00 70.33 68.96 2hsd n THR 62 CO 0.00 0.00 0.00 -0.63 -0.57 0.00 0.00 175.07 173.87 2hsd s ILE 63 N -1.92 3.22 0.16 2.28 1.01 -0.91 -5.01 121.20 120.02 2hsd s ILE 63 Ca 0.35 -0.67 -0.15 0.00 0.00 0.00 0.00 60.65 60.19 2hsd s ILE 63 Cb 0.20 -2.52 0.04 0.00 0.01 0.00 0.00 42.46 40.20 2hsd s ILE 63 CO 0.31 0.35 1.82 -0.08 0.00 0.00 0.00 174.94 177.34 2hsd h GLU 64 N 8.09 0.60 -0.78 2.79 4.81 -1.87 -2.62 114.58 125.61 2hsd h GLU 64 Ca -0.39 -0.04 0.14 0.00 -0.13 0.00 0.00 59.36 58.94 2hsd h GLU 64 Cb 1.14 -0.14 -0.09 0.00 0.63 0.00 0.00 28.75 30.29 2hsd h GLU 64 CO 0.60 0.40 0.34 0.93 -0.73 0.00 0.00 179.01 180.55 2hsd h GLU 65 N 0.62 0.49 -0.74 1.92 3.07 -1.95 0.30 114.58 118.29 2hsd h GLU 65 Ca 0.17 -0.03 0.03 0.00 -0.50 0.00 0.00 59.36 59.04 2hsd h GLU 65 Cb -0.06 -0.11 -0.05 0.00 -0.84 0.00 0.00 28.75 27.69 2hsd h GLU 65 CO -0.04 0.33 0.47 -0.44 -1.40 0.00 0.00 179.01 177.92 2hsd h ASP 66 N 0.51 0.78 0.16 1.42 5.19 -1.77 0.23 116.42 122.92 2hsd h ASP 66 Ca 0.42 -0.00 -0.01 0.00 -0.62 0.00 0.00 57.03 56.82 2hsd h ASP 66 Cb 0.61 -0.17 0.00 0.00 0.18 0.00 0.00 39.33 39.96 2hsd h ASP 66 CO -0.38 0.54 -0.08 -0.50 -3.12 0.00 0.00 179.24 175.70 2hsd h TRP 67 N 0.92 -0.20 -0.92 4.55 4.06 -0.67 -0.86 115.95 122.83 2hsd h TRP 67 Ca 0.30 -0.00 0.17 0.00 2.06 0.00 0.00 58.89 61.42 2hsd h TRP 67 Cb 0.02 0.07 -0.10 0.00 -1.00 0.00 0.00 29.16 28.14 2hsd h TRP 67 CO -0.04 0.14 0.50 1.96 -3.56 0.00 0.00 178.44 177.45 2hsd h GLN 68 N -0.56 0.63 0.54 0.49 4.20 -0.14 0.08 115.11 120.36 2hsd h GLN 68 Ca -0.02 -0.04 -0.03 0.00 0.06 0.00 0.00 58.65 58.62 2hsd h GLN 68 Cb 0.43 -0.14 0.01 0.00 0.30 0.00 0.00 27.48 28.07 2hsd h GLN 68 CO 0.04 0.42 -0.26 -0.09 -0.67 0.00 0.00 178.83 178.27 2hsd h ARG 69 N 0.65 -0.70 -0.83 1.46 2.43 -0.45 -2.62 114.38 114.32 2hsd h ARG 69 Ca 0.52 0.05 -0.02 0.00 -0.81 0.00 0.00 59.98 59.72 2hsd h ARG 69 Cb 0.80 0.16 -0.04 0.00 -0.42 0.00 0.00 29.97 30.47 2hsd h ARG 69 CO -0.39 -0.40 0.43 -0.24 -1.51 0.00 0.00 179.97 177.86 2hsd h VAL 70 N -1.06 1.25 -0.49 0.20 3.04 -0.59 0.09 116.25 118.69 2hsd h VAL 70 Ca -0.07 -0.66 -0.10 0.00 -1.01 0.00 0.00 66.70 64.86 2hsd h VAL 70 Cb 0.63 0.15 -0.02 0.00 -2.01 0.00 0.00 31.29 30.04 2hsd h VAL 70 CO 0.12 0.29 -0.11 0.58 -1.01 0.00 0.00 177.57 177.44 2hsd h VAL 71 N 1.17 1.26 0.25 1.51 2.07 -1.08 -0.74 116.25 120.69 2hsd h VAL 71 Ca 0.29 -1.23 -0.01 0.00 0.82 0.00 0.00 66.70 66.57 2hsd h VAL 71 Cb 0.07 1.00 0.00 0.00 -1.52 0.00 0.00 31.29 30.84 2hsd h VAL 71 CO -0.04 0.43 -0.12 0.00 0.02 0.00 0.00 177.57 177.85 2hsd h ALA 72 N 1.05 -0.34 -1.00 1.67 0.00 -1.04 -0.68 119.26 118.92 2hsd h ALA 72 Ca 0.13 -0.10 0.16 0.00 0.00 0.00 0.00 54.91 55.10 2hsd h ALA 72 Cb 0.64 0.13 -0.10 0.00 0.00 0.00 0.00 17.79 18.46 2hsd h ALA 72 CO 0.04 -0.65 0.62 -0.92 0.00 0.00 0.00 179.25 178.35 2hsd h TYR 73 N -0.42 1.10 -0.52 0.00 5.03 -0.79 0.27 116.97 121.64 2hsd h TYR 73 Ca -0.03 0.03 -0.07 0.00 2.58 0.00 0.00 58.73 61.23 2hsd h TYR 73 Cb 0.32 -0.34 -0.02 0.00 1.55 0.00 0.00 36.73 38.24 2hsd h TYR 73 CO -0.04 0.32 0.02 0.00 -1.32 0.00 0.00 178.16 177.15 2hsd h ALA 74 N 1.60 1.06 -0.03 1.82 0.00 -0.42 0.83 119.26 124.12 2hsd h ALA 74 Ca 0.55 -0.27 -0.01 0.00 0.00 0.00 0.00 54.91 55.18 2hsd h ALA 74 Cb 0.74 -0.21 -0.00 0.00 0.00 0.00 0.00 17.79 18.32 2hsd h ALA 74 CO -0.33 0.59 -0.01 0.00 0.00 0.00 0.00 179.25 179.49 2hsd h ARG 75 N 0.81 0.07 0.23 0.00 3.08 0.49 -1.45 114.38 117.61 2hsd h ARG 75 Ca 0.16 -0.03 -0.01 0.00 0.07 0.00 0.00 59.98 60.17 2hsd h ARG 75 Cb 0.45 -0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.50 2hsd h ARG 75 CO 0.02 0.45 -0.13 0.93 -1.07 0.00 0.00 179.97 180.17 2hsd h GLU 76 N -0.31 -0.32 -0.67 0.04 5.08 -1.00 0.69 114.58 118.09 2hsd h GLU 76 Ca 0.01 0.02 0.14 0.00 -1.00 0.00 0.00 59.36 58.53 2hsd h GLU 76 Cb 0.43 0.07 -0.11 0.00 0.50 0.00 0.00 28.75 29.64 2hsd h GLU 76 CO 0.00 -0.21 0.07 0.93 -1.00 0.00 0.00 179.01 178.81 2hsd h GLU 77 N -0.33 0.17 -0.07 2.33 4.39 -0.95 -3.14 114.58 116.99 2hsd h GLU 77 Ca -0.03 -0.01 0.00 0.00 0.34 0.00 0.00 59.36 59.66 2hsd h GLU 77 Cb 0.26 -0.04 0.00 0.00 -0.10 0.00 0.00 28.75 28.87 2hsd h GLU 77 CO 0.04 0.11 0.00 1.19 -1.16 0.00 0.00 179.01 179.19 2hsd n PHE 78 N -5.23 0.10 -0.46 4.33 3.72 -0.55 -5.01 117.46 114.36 2hsd n PHE 78 Ca 0.11 -0.35 0.00 0.00 -0.05 0.00 0.00 57.45 57.16 2hsd n PHE 78 Cb 0.40 -0.03 0.00 0.00 -0.94 0.00 0.00 39.48 38.91 2hsd n PHE 78 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 2hsd n GLY 79 N -0.08 1.39 3.63 1.37 0.00 0.24 -4.93 105.19 106.81 2hsd n GLY 79 Ca 0.03 0.00 -0.01 0.00 0.00 0.00 0.00 46.02 46.04 2hsd n GLY 79 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2hsd s SER 80 N -3.06 -0.12 -0.25 1.61 1.04 -1.23 -4.93 113.70 106.78 2hsd s SER 80 Ca 0.00 -0.14 0.01 0.00 0.48 0.00 0.00 55.95 56.30 2hsd s SER 80 Cb 0.00 0.23 0.07 0.00 0.10 0.00 0.00 66.02 66.41 2hsd s SER 80 CO 0.00 -0.41 -0.02 -0.69 0.98 0.00 0.00 173.24 173.10 2hsd s VAL 81 N -2.62 1.44 -0.53 5.02 1.01 -1.26 -4.37 120.40 119.09 2hsd s VAL 81 Ca 0.12 -1.27 0.13 0.00 0.00 0.00 0.00 61.98 60.96 2hsd s VAL 81 Cb 0.02 -1.79 -0.16 0.00 0.00 0.00 0.00 36.38 34.45 2hsd s VAL 81 CO -0.03 -0.21 0.52 0.47 0.00 0.00 0.00 175.10 175.85 2hsd n ASP 82 N 4.69 0.84 -3.61 3.32 8.00 0.13 -4.25 116.55 125.66 2hsd n ASP 82 Ca -0.09 -0.68 -0.12 0.00 0.71 0.00 0.00 54.79 54.61 2hsd n ASP 82 Cb 0.44 1.11 -0.05 0.00 -0.02 0.00 0.00 41.12 42.59 2hsd n ASP 82 CO 0.00 0.00 0.00 -0.83 -0.39 0.00 0.00 177.20 175.98 2hsd s GLY 83 N -2.49 -0.35 -0.08 0.44 0.00 -1.10 -2.37 107.32 101.37 2hsd s GLY 83 Ca 0.03 0.29 -0.04 0.00 0.00 0.00 0.00 44.72 45.01 2hsd s GLY 83 CO 0.55 0.02 0.18 -2.27 0.00 0.00 0.00 173.10 171.57 2hsd s LEU 84 N -2.31 0.30 -0.32 0.66 2.96 -0.67 -1.37 118.68 117.93 2hsd s LEU 84 Ca -0.02 0.37 -0.02 0.00 -0.22 0.00 0.00 54.13 54.24 2hsd s LEU 84 Cb 0.00 0.42 0.06 0.00 0.50 0.00 0.00 46.19 47.17 2hsd s LEU 84 CO -0.06 -0.19 0.04 -0.69 -1.32 0.00 0.00 176.35 174.13 2hsd s VAL 85 N 1.70 3.05 -0.98 1.68 1.01 -0.61 0.45 120.40 126.70 2hsd s VAL 85 Ca -0.04 -1.53 -0.18 0.00 0.00 0.00 0.00 61.98 60.23 2hsd s VAL 85 Cb -0.12 -2.83 0.14 0.00 0.00 0.00 0.00 36.38 33.57 2hsd s VAL 85 CO -0.06 -0.24 1.18 0.20 0.00 0.00 0.00 175.10 176.18 2hsd s ASN 86 N 1.35 6.70 -0.03 3.32 0.01 0.26 -2.21 114.94 124.34 2hsd s ASN 86 Ca -0.02 -2.18 0.16 0.00 -0.71 0.00 0.00 52.86 50.11 2hsd s ASN 86 Cb -0.20 -2.40 -0.25 0.00 0.41 0.00 0.00 41.25 38.80 2hsd s ASN 86 CO -0.02 -1.02 0.35 -3.20 -1.51 0.00 0.00 177.10 171.70 2hsd n ASN 87 N 6.45 1.24 -4.77 -1.22 2.85 -1.24 -2.65 115.26 115.93 2hsd n ASN 87 Ca 0.26 0.00 -0.41 0.00 -0.11 0.00 0.00 54.58 54.32 2hsd n ASN 87 Cb 0.48 1.72 -0.02 0.00 1.24 0.00 0.00 39.78 43.21 2hsd n ASN 87 CO 0.00 0.00 0.00 0.00 -2.11 0.00 0.00 177.26 175.15 2hsd s ALA 88 N -3.12 3.53 0.00 5.20 0.00 -1.20 -4.75 121.76 121.44 2hsd s ALA 88 Ca -0.06 1.36 0.00 0.00 0.00 0.00 0.00 51.96 53.26 2hsd s ALA 88 Cb 0.10 -3.52 0.00 0.00 0.00 0.00 0.00 23.12 19.70 2hsd s ALA 88 CO 0.68 -0.77 0.00 0.41 0.00 0.00 0.00 175.76 176.09 2hsd n GLY 89 N 0.88 -0.85 3.04 0.00 0.00 -1.26 -4.67 105.19 102.34 2hsd n GLY 89 Ca 0.01 -1.06 -0.10 0.00 0.00 0.00 0.00 46.02 44.87 2hsd n GLY 89 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 2hsd s ILE 90 N -2.00 0.30 0.07 -0.61 -4.36 -1.26 -5.02 121.20 108.31 2hsd s ILE 90 Ca 0.00 -1.20 0.00 0.00 -0.26 0.00 0.00 60.65 59.19 2hsd s ILE 90 Cb 0.00 -0.70 0.01 0.00 1.25 0.00 0.00 42.46 43.03 2hsd s ILE 90 CO 0.00 -0.59 0.10 -1.20 0.24 0.00 0.00 174.94 173.49 2hsd n SER 91 N 1.16 0.18 -3.69 4.36 7.64 -1.26 -4.86 113.62 117.15 2hsd n SER 91 Ca -0.21 -1.14 -0.13 0.00 1.01 0.00 0.00 58.87 58.40 2hsd n SER 91 Cb 0.56 -0.06 -0.09 0.00 -1.01 0.00 0.00 64.21 63.61 2hsd n SER 91 CO 0.00 0.00 0.00 -0.89 -3.01 0.00 0.00 175.04 171.14 2hsd s THR 92 N 0.19 -0.00 -0.41 0.44 2.01 -1.26 -4.85 115.64 111.76 2hsd s THR 92 Ca 0.07 0.01 0.05 0.00 0.31 0.00 0.00 61.69 62.13 2hsd s THR 92 Cb -0.00 -0.73 0.20 0.00 0.01 0.00 0.00 72.50 71.97 2hsd s THR 92 CO 0.05 0.00 0.43 0.61 -0.69 0.00 0.00 174.62 175.02 2hsd n GLY 93 N 3.03 2.13 3.57 4.40 0.00 -1.17 -4.31 105.19 112.84 2hsd n GLY 93 Ca -0.15 -1.24 -0.06 0.00 0.00 0.00 0.00 46.02 44.57 2hsd n GLY 93 CO 0.00 0.00 0.00 -3.16 0.00 0.00 0.00 173.32 170.16 2hsd s MET 94 N -0.23 0.56 0.32 1.61 0.23 0.33 -5.03 119.30 117.08 2hsd s MET 94 Ca 0.33 -0.22 -0.29 0.00 -1.03 0.00 0.00 55.69 54.49 2hsd s MET 94 Cb 0.08 0.25 -0.10 0.00 -1.53 0.00 0.00 34.83 33.53 2hsd s MET 94 CO -0.17 -0.24 1.20 -0.06 -2.03 0.00 0.00 175.02 173.72 2hsd s PHE 95 N -2.74 3.27 0.11 3.16 0.40 -1.26 -3.99 117.98 116.94 2hsd s PHE 95 Ca 0.08 1.55 -0.27 0.00 -0.60 0.00 0.00 56.93 57.69 2hsd s PHE 95 Cb -0.01 -3.48 -0.09 0.00 0.51 0.00 0.00 43.02 39.95 2hsd s PHE 95 CO -0.06 -1.25 1.45 1.25 0.70 0.00 0.00 175.22 177.31 2hsd h LEU 96 N 3.48 -1.54 0.00 -0.37 6.46 -1.95 0.15 115.31 121.54 2hsd h LEU 96 Ca -0.48 0.20 0.00 0.00 -0.12 0.00 0.00 57.88 57.48 2hsd h LEU 96 Cb 1.22 0.63 0.00 0.00 -0.73 0.00 0.00 40.66 41.78 2hsd h LEU 96 CO 0.66 -0.33 0.05 -1.84 -0.62 0.00 0.00 178.44 176.36 2hsd n GLU 97 N -4.89 0.00 -0.07 1.25 0.28 -1.26 -1.14 120.64 114.81 2hsd n GLU 97 Ca -0.03 0.30 -0.13 0.00 -0.16 0.00 0.00 57.16 57.14 2hsd n GLU 97 Cb 0.28 -1.55 -0.14 0.00 1.43 0.00 0.00 31.44 31.46 2hsd n GLU 97 CO 0.00 0.00 0.00 2.41 -0.16 0.00 0.00 177.13 179.38 2hsd n THR 98 N -1.28 1.52 -2.46 3.84 -1.04 0.47 -4.97 114.28 110.36 2hsd n THR 98 Ca 0.00 -0.76 -0.41 0.00 -2.04 0.00 0.00 64.05 60.84 2hsd n THR 98 Cb 0.05 -0.98 -0.04 0.00 -1.82 0.00 0.00 70.33 67.54 2hsd n THR 98 CO 0.00 0.00 0.00 -0.70 -0.64 0.00 0.00 175.07 173.73 2hsd s GLU 99 N -2.53 4.57 0.57 -2.82 2.12 -0.29 -5.01 118.70 115.31 2hsd s GLU 99 Ca -0.15 1.79 -0.15 0.00 0.36 0.00 0.00 54.97 56.82 2hsd s GLU 99 Cb 0.07 -3.24 -0.05 0.00 0.26 0.00 0.00 34.13 31.17 2hsd s GLU 99 CO 0.77 0.06 1.03 0.45 -0.54 0.00 0.00 175.26 177.03 2hsd s SER 100 N -0.26 6.13 0.11 -1.70 0.15 -1.26 -4.90 113.70 111.97 2hsd s SER 100 Ca 0.49 1.67 -0.18 0.00 0.70 0.00 0.00 55.95 58.63 2hsd s SER 100 Cb -0.31 -2.51 -0.05 0.00 -1.71 0.00 0.00 66.02 61.43 2hsd s SER 100 CO 0.37 -0.92 1.62 -0.37 1.20 0.00 0.00 173.24 175.14 2hsd h VAL 101 N 0.48 1.20 -0.62 4.45 -1.51 -1.98 0.19 116.25 118.47 2hsd h VAL 101 Ca -0.46 -0.66 0.05 0.00 -1.23 0.00 0.00 66.70 64.39 2hsd h VAL 101 Cb 1.20 1.08 -0.04 0.00 -2.13 0.00 0.00 31.29 31.40 2hsd h VAL 101 CO 0.59 0.22 0.41 1.05 -1.23 0.00 0.00 177.57 178.62 2hsd h GLU 102 N 0.32 0.64 -0.15 5.19 4.11 -1.99 0.56 114.58 123.26 2hsd h GLU 102 Ca 0.10 -0.04 -0.21 0.00 0.07 0.00 0.00 59.36 59.28 2hsd h GLU 102 Cb 0.25 -0.14 0.01 0.00 0.50 0.00 0.00 28.75 29.37 2hsd h GLU 102 CO -0.00 0.42 -0.73 -0.09 0.07 0.00 0.00 179.01 178.68 2hsd h ARG 103 N 0.66 0.77 0.13 1.06 2.43 -1.85 -0.89 114.38 116.69 2hsd h ARG 103 Ca 0.26 -0.62 0.01 0.00 -0.81 0.00 0.00 59.98 58.82 2hsd h ARG 103 Cb 0.20 0.13 -0.03 0.00 -0.42 0.00 0.00 29.97 29.85 2hsd h ARG 103 CO -0.08 1.23 -0.23 0.35 -1.51 0.00 0.00 179.97 179.73 2hsd h PHE 104 N 0.49 -0.61 0.06 2.20 3.57 -0.08 -1.22 116.94 121.34 2hsd h PHE 104 Ca -0.05 0.01 0.02 0.00 3.53 0.00 0.00 57.97 61.48 2hsd h PHE 104 Cb 1.37 0.25 -0.05 0.00 2.79 0.00 0.00 35.95 40.31 2hsd h PHE 104 CO 0.09 -0.33 -0.47 0.00 -2.23 0.00 0.00 178.31 175.37 2hsd h ARG 105 N -0.44 -0.63 -0.97 1.11 -0.00 -0.88 -1.26 114.38 111.31 2hsd h ARG 105 Ca 0.02 0.04 0.13 0.00 -0.50 0.00 0.00 59.98 59.68 2hsd h ARG 105 Cb 0.45 0.14 -0.15 0.00 0.00 0.00 0.00 29.97 30.42 2hsd h ARG 105 CO -0.12 -0.42 -0.43 1.17 0.00 0.00 0.00 179.97 180.17 2hsd n LYS 106 N -5.47 -0.28 -0.21 0.04 4.81 -0.35 -1.24 118.16 115.47 2hsd n LYS 106 Ca -0.07 1.49 -0.07 0.00 -0.87 0.00 0.00 58.31 58.79 2hsd n LYS 106 Cb 0.39 -2.21 0.07 0.00 0.02 0.00 0.00 35.03 33.30 2hsd n LYS 106 CO 0.00 0.00 0.00 0.28 1.17 0.00 0.00 177.40 178.85 2hsd h VAL 107 N 0.00 1.26 -0.08 3.15 2.07 -0.60 -3.02 116.25 119.02 2hsd h VAL 107 Ca 0.29 -1.06 -0.01 0.00 0.82 0.00 0.00 66.70 66.75 2hsd h VAL 107 Cb 0.53 0.71 -0.00 0.00 -1.52 0.00 0.00 31.29 31.01 2hsd h VAL 107 CO -0.95 0.39 0.02 0.58 0.02 0.00 0.00 177.57 177.63 2hsd h VAL 108 N 0.97 1.19 -0.71 2.57 2.07 -0.14 -1.98 116.25 120.21 2hsd h VAL 108 Ca 0.19 -0.57 0.14 0.00 0.82 0.00 0.00 66.70 67.28 2hsd h VAL 108 Cb 0.47 1.41 -0.14 0.00 -1.52 0.00 0.00 31.29 31.51 2hsd h VAL 108 CO 0.02 0.16 -0.20 -0.08 0.02 0.00 0.00 177.57 177.49 2hsd h GLU 109 N -0.07 -0.02 0.27 1.57 4.57 -1.09 0.46 114.58 120.27 2hsd h GLU 109 Ca 0.03 0.00 -0.01 0.00 -1.18 0.00 0.00 59.36 58.20 2hsd h GLU 109 Cb 0.24 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 28.83 2hsd h GLU 109 CO -0.00 -0.01 -0.13 0.82 -1.18 0.00 0.00 179.01 178.51 2hsd h ILE 110 N -0.02 0.00 -0.70 2.32 2.04 -1.48 0.55 117.51 120.22 2hsd h ILE 110 Ca 0.33 -0.55 -0.03 0.00 1.00 0.00 0.00 64.86 65.62 2hsd h ILE 110 Cb 0.53 0.00 -0.03 0.00 -0.74 0.00 0.00 36.82 36.58 2hsd h ILE 110 CO -0.74 0.00 0.34 0.78 0.00 0.00 0.00 178.15 178.53 2hsd h ASN 111 N -0.91 0.92 0.00 1.72 4.21 -1.27 -1.65 115.58 118.60 2hsd h ASN 111 Ca -0.04 -0.13 0.00 0.00 1.21 0.00 0.00 56.30 57.34 2hsd h ASN 111 Cb 0.27 -0.24 0.00 0.00 -1.12 0.00 0.00 38.32 37.24 2hsd h ASN 111 CO 0.06 0.80 -0.21 -0.11 -1.29 0.00 0.00 177.43 176.67 2hsd n LEU 112 N -4.43 0.51 -0.19 1.61 7.94 0.15 -4.06 117.00 118.53 2hsd n LEU 112 Ca 0.06 0.20 0.16 0.00 -1.11 0.00 0.00 56.01 55.32 2hsd n LEU 112 Cb 0.13 -0.58 0.50 0.00 0.53 0.00 0.00 43.42 44.00 2hsd n LEU 112 CO 0.39 -0.46 1.21 0.74 -1.11 0.00 0.00 177.39 178.16 2hsd h THR 113 N -0.27 0.76 -0.41 1.96 2.02 -1.06 -0.28 112.91 115.64 2hsd h THR 113 Ca 0.00 -0.14 -0.00 0.00 0.77 0.00 0.00 66.41 67.03 2hsd h THR 113 Cb 0.21 0.30 -0.02 0.00 -1.74 0.00 0.00 68.15 66.91 2hsd h THR 113 CO 0.00 0.08 0.25 1.23 0.37 0.00 0.00 175.52 177.45 2hsd h GLY 114 N 0.42 0.59 1.55 2.16 0.00 0.11 -2.20 103.07 105.71 2hsd h GLY 114 Ca 0.40 -0.24 -0.11 0.00 0.00 0.00 0.00 47.33 47.39 2hsd h GLY 114 CO -0.14 0.23 -0.30 -0.24 0.00 0.00 0.00 176.54 176.10 2hsd h VAL 115 N 0.54 1.28 0.40 4.60 3.04 -1.16 -2.44 116.25 122.50 2hsd h VAL 115 Ca 0.15 -1.37 -0.01 0.00 -1.01 0.00 0.00 66.70 64.46 2hsd h VAL 115 Cb -0.02 1.41 -0.01 0.00 -2.01 0.00 0.00 31.29 30.67 2hsd h VAL 115 CO -0.03 0.43 -0.24 0.15 -1.01 0.00 0.00 177.57 176.87 2hsd h PHE 116 N 0.44 -0.64 -0.27 3.17 3.57 -0.90 -0.43 116.94 121.87 2hsd h PHE 116 Ca 0.06 -0.01 -0.00 0.00 3.53 0.00 0.00 57.97 61.55 2hsd h PHE 116 Cb 0.74 0.23 -0.01 0.00 2.79 0.00 0.00 35.95 39.70 2hsd h PHE 116 CO 0.03 -0.38 0.16 0.82 -2.23 0.00 0.00 178.31 176.71 2hsd h ILE 117 N -0.61 1.08 0.52 1.41 2.04 -1.43 0.30 117.51 120.82 2hsd h ILE 117 Ca -0.04 -0.20 -0.02 0.00 1.00 0.00 0.00 64.86 65.60 2hsd h ILE 117 Cb 0.50 0.71 -0.00 0.00 -0.74 0.00 0.00 36.82 37.29 2hsd h ILE 117 CO 0.04 0.09 -0.31 1.23 0.00 0.00 0.00 178.15 179.20 2hsd h GLY 118 N 0.42 -0.84 0.96 5.37 0.00 -0.87 -1.35 103.07 106.76 2hsd h GLY 118 Ca 0.10 0.34 -0.02 0.00 0.00 0.00 0.00 47.33 47.75 2hsd h GLY 118 CO -0.02 -0.31 -0.24 -0.33 0.00 0.00 0.00 176.54 175.65 2hsd h MET 119 N -0.79 -0.63 -0.20 4.80 2.86 -0.56 -1.91 114.93 118.50 2hsd h MET 119 Ca -0.06 0.04 0.03 0.00 -2.06 0.00 0.00 59.70 57.65 2hsd h MET 119 Cb 0.64 0.14 -0.06 0.00 0.06 0.00 0.00 31.60 32.38 2hsd h MET 119 CO 0.07 -0.40 -0.49 -0.22 1.06 0.00 0.00 176.91 176.93 2hsd h LYS 120 N -0.71 -0.45 -0.29 1.72 3.64 -0.99 0.91 116.57 120.39 2hsd h LYS 120 Ca -0.07 0.03 0.07 0.00 -1.27 0.00 0.00 60.65 59.41 2hsd h LYS 120 Cb 0.53 0.10 -0.07 0.00 -0.41 0.00 0.00 32.23 32.38 2hsd h LYS 120 CO 0.11 -0.30 -0.23 1.15 -2.27 0.00 0.00 179.45 177.91 2hsd h THR 121 N -0.47 0.39 0.00 1.00 2.02 -1.25 -2.67 112.91 111.94 2hsd h THR 121 Ca 0.04 0.00 0.00 0.00 0.77 0.00 0.00 66.41 67.22 2hsd h THR 121 Cb 0.58 0.39 0.00 0.00 -1.74 0.00 0.00 68.15 67.39 2hsd h THR 121 CO -0.43 0.00 0.00 1.62 0.37 0.00 0.00 175.52 177.08 2hsd h VAL 122 N -0.21 0.00 -0.12 3.16 3.04 -0.69 -3.34 116.25 118.08 2hsd h VAL 122 Ca 0.15 -0.36 0.02 0.00 -1.01 0.00 0.00 66.70 65.50 2hsd h VAL 122 Cb 0.45 1.21 -0.02 0.00 -2.01 0.00 0.00 31.29 30.93 2hsd h VAL 122 CO -0.42 0.00 -0.00 0.40 -1.01 0.00 0.00 177.57 176.54 2hsd h ILE 123 N 0.00 0.91 -0.96 3.17 2.04 -0.47 -2.82 117.51 119.38 2hsd h ILE 123 Ca 0.00 -0.01 0.08 0.00 1.00 0.00 0.00 64.86 65.92 2hsd h ILE 123 Cb 0.45 0.87 -0.07 0.00 -0.74 0.00 0.00 36.82 37.34 2hsd h ILE 123 CO 0.00 0.01 0.62 -0.65 0.00 0.00 0.00 178.15 178.13 2hsd h PRO 124 N 0.04 1.05 -0.50 2.37 0.11 -1.76 -0.41 132.00 132.90 2hsd h PRO 124 Ca 0.06 -0.06 -0.02 0.00 0.11 0.00 0.00 66.00 66.08 2hsd h PRO 124 Cb 0.07 -0.24 -0.02 0.00 0.11 0.00 0.00 31.00 30.92 2hsd h PRO 124 CO -0.10 0.69 0.21 0.00 -0.21 0.00 0.00 178.00 178.59 2hsd h ALA 125 N 1.49 1.43 -0.05 -0.75 0.00 -1.74 -1.53 119.26 118.12 2hsd h ALA 125 Ca 0.43 -0.13 -0.23 0.00 0.00 0.00 0.00 54.91 54.98 2hsd h ALA 125 Cb 0.25 -0.20 0.01 0.00 0.00 0.00 0.00 17.79 17.84 2hsd h ALA 125 CO -0.18 0.44 -0.88 0.52 0.00 0.00 0.00 179.25 179.15 2hsd h MET 126 N 0.70 0.57 -0.64 0.00 2.86 -0.88 -2.79 114.93 114.76 2hsd h MET 126 Ca 0.17 -0.54 -0.01 0.00 -2.06 0.00 0.00 59.70 57.26 2hsd h MET 126 Cb 0.13 0.14 -0.03 0.00 0.06 0.00 0.00 31.60 31.89 2hsd h MET 126 CO -0.02 1.17 0.37 0.87 1.06 0.00 0.00 176.91 180.36 2hsd h LYS 127 N 0.35 0.87 -0.96 1.72 1.57 -1.05 0.14 116.57 119.22 2hsd h LYS 127 Ca -0.07 -0.09 0.18 0.00 -1.87 0.00 0.00 60.65 58.79 2hsd h LYS 127 Cb 1.51 -0.18 -0.10 0.00 0.08 0.00 0.00 32.23 33.54 2hsd h LYS 127 CO 0.16 0.64 0.56 0.22 -0.57 0.00 0.00 179.45 180.46 2hsd h ASP 128 N 0.87 0.71 1.51 0.86 3.58 -1.22 -0.87 116.42 121.85 2hsd h ASP 128 Ca 0.23 0.10 0.00 0.00 0.42 0.00 0.00 57.03 57.77 2hsd h ASP 128 Cb -0.00 -0.03 0.00 0.00 1.72 0.00 0.00 39.33 41.02 2hsd h ASP 128 CO -0.04 0.26 -0.35 0.00 -2.88 0.00 0.00 179.24 176.23 2hsd h ALA 129 N 1.62 0.81 0.00 -0.78 0.00 -1.14 -3.48 119.26 116.29 2hsd h ALA 129 Ca 0.54 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.45 2hsd h ALA 129 Cb 0.82 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.61 2hsd h ALA 129 CO -0.38 0.00 0.00 0.41 0.00 0.00 0.00 179.25 179.28 2hsd n GLY 130 N 1.18 0.84 0.00 0.00 0.00 -0.31 -5.00 105.19 101.90 2hsd n GLY 130 Ca 0.03 -0.21 0.00 0.00 0.00 0.00 0.00 46.02 45.84 2hsd n GLY 130 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2hsd n GLY 131 N -2.28 3.14 3.87 -0.02 0.00 -0.12 -4.75 105.19 105.03 2hsd n GLY 131 Ca 0.00 -1.47 0.02 0.00 0.00 0.00 0.00 46.02 44.57 2hsd n GLY 131 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 2hsd s GLY 132 N 0.00 -0.21 -0.16 -0.02 0.00 -0.95 -4.78 107.32 101.20 2hsd s GLY 132 Ca 0.00 0.24 -0.03 0.00 0.00 0.00 0.00 44.72 44.92 2hsd s GLY 132 CO 0.00 3.78 0.05 -0.45 0.00 0.00 0.00 173.10 176.48 2hsd s SER 133 N -3.53 2.41 -0.25 1.64 0.15 -1.00 -0.41 113.70 112.71 2hsd s SER 133 Ca 0.24 -0.59 -0.11 0.00 0.70 0.00 0.00 55.95 56.20 2hsd s SER 133 Cb 0.01 -0.43 -0.05 0.00 -1.71 0.00 0.00 66.02 63.85 2hsd s SER 133 CO -0.02 -0.30 0.18 -0.63 1.20 0.00 0.00 173.24 173.68 2hsd s ILE 134 N 1.99 5.33 -0.30 6.45 1.01 0.59 -1.66 121.20 134.61 2hsd s ILE 134 Ca 0.01 0.20 -0.02 0.00 0.00 0.00 0.00 60.65 60.84 2hsd s ILE 134 Cb -0.16 -3.52 0.04 0.00 0.01 0.00 0.00 42.46 38.83 2hsd s ILE 134 CO -0.08 0.30 0.00 -0.69 0.00 0.00 0.00 174.94 174.48 2hsd s VAL 135 N 1.36 3.05 -0.44 2.92 1.01 0.17 -1.63 120.40 126.84 2hsd s VAL 135 Ca 0.08 -1.30 -0.19 0.00 0.00 0.00 0.00 61.98 60.57 2hsd s VAL 135 Cb -0.15 -2.72 0.03 0.00 0.00 0.00 0.00 36.38 33.54 2hsd s VAL 135 CO 0.07 -0.07 0.53 0.20 0.00 0.00 0.00 175.10 175.84 2hsd s ASN 136 N 1.28 6.23 -0.52 3.32 0.01 -0.30 -0.57 114.94 124.40 2hsd s ASN 136 Ca -0.04 -0.65 -0.28 0.00 -0.71 0.00 0.00 52.86 51.17 2hsd s ASN 136 Cb -0.19 -2.26 0.02 0.00 0.41 0.00 0.00 41.25 39.22 2hsd s ASN 136 CO -0.01 -0.70 1.35 -0.63 -1.51 0.00 0.00 177.10 175.60 2hsd s ILE 137 N 2.40 3.90 0.00 0.60 -1.09 -1.08 -0.90 121.20 125.03 2hsd s ILE 137 Ca 0.15 0.83 0.00 0.00 -2.23 0.00 0.00 60.65 59.41 2hsd s ILE 137 Cb -0.17 -4.44 0.00 0.00 -1.58 0.00 0.00 42.46 36.27 2hsd s ILE 137 CO 0.15 -1.07 0.00 -0.24 -1.23 0.00 0.00 174.94 172.54 2hsd n SER 138 N 9.03 0.00 -3.72 3.58 2.88 0.54 -4.83 113.62 121.10 2hsd n SER 138 Ca 0.13 0.00 -0.06 0.00 -1.33 0.00 0.00 58.87 57.61 2hsd n SER 138 Cb 0.49 0.00 -0.02 0.00 -0.75 0.00 0.00 64.21 63.93 2hsd n SER 138 CO 0.00 0.00 0.00 -0.55 -1.23 0.00 0.00 175.04 173.26 2hsd s SER 139 N -1.00 -0.26 0.50 -3.46 0.15 -1.25 -4.38 113.70 104.00 2hsd s SER 139 Ca 0.00 -0.36 0.23 0.00 0.70 0.00 0.00 55.95 56.52 2hsd s SER 139 Cb 0.00 0.55 1.31 0.00 -1.71 0.00 0.00 66.02 66.17 2hsd s SER 139 CO 0.00 -0.98 2.05 0.00 1.20 0.00 0.00 173.24 175.51 2hsd h ALA 140 N 2.00 1.43 0.00 5.45 0.00 -1.35 -0.23 119.26 126.56 2hsd h ALA 140 Ca -0.23 -0.13 0.00 0.00 0.00 0.00 0.00 54.91 54.55 2hsd h ALA 140 Cb 1.24 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 19.01 2hsd h ALA 140 CO 0.27 0.17 0.00 0.00 0.00 0.00 0.00 179.25 179.69 2hsd h ALA 141 N 1.86 1.00 -0.06 0.00 0.00 -1.84 -0.83 119.26 119.39 2hsd h ALA 141 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 2hsd h ALA 141 Cb 0.32 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.11 2hsd h ALA 141 CO 0.02 0.00 0.00 0.41 0.00 0.00 0.00 179.25 179.68 2hsd n GLY 142 N -0.73 0.83 0.00 0.00 0.00 -0.10 -4.26 105.19 100.93 2hsd n GLY 142 Ca -0.01 -0.63 0.05 0.00 0.00 0.00 0.00 46.02 45.43 2hsd n GLY 142 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 2hsd n LEU 143 N 1.08 0.48 -3.81 0.99 4.77 -0.33 -4.55 117.00 115.64 2hsd n LEU 143 Ca 0.16 -0.47 -0.04 0.00 -0.03 0.00 0.00 56.01 55.62 2hsd n LEU 143 Cb 0.54 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.63 2hsd n LEU 143 CO 0.15 0.12 0.72 0.00 -1.33 0.00 0.00 177.39 177.05 2hsd s MET 144 N -2.07 1.41 -0.62 3.23 0.23 -1.17 -5.11 119.30 115.20 2hsd s MET 144 Ca 0.04 -0.85 -0.28 0.00 -1.03 0.00 0.00 55.69 53.57 2hsd s MET 144 Cb 0.08 0.43 0.02 0.00 -1.53 0.00 0.00 34.83 33.84 2hsd s MET 144 CO 0.45 -0.65 1.28 0.20 -2.03 0.00 0.00 175.02 174.27 2hsd s GLY 145 N -3.13 0.99 -0.24 3.16 0.00 -1.26 -4.67 107.32 102.17 2hsd s GLY 145 Ca 0.16 -0.93 -0.08 0.00 0.00 0.00 0.00 44.72 43.87 2hsd s GLY 145 CO 0.05 2.64 0.08 1.08 0.00 0.00 0.00 173.10 176.95 2hsd s LEU 146 N 5.52 3.57 0.42 0.66 1.43 -1.26 -5.09 118.68 123.93 2hsd s LEU 146 Ca 0.44 -0.13 -0.25 0.00 -1.03 0.00 0.00 54.13 53.15 2hsd s LEU 146 Cb -0.08 -1.95 -0.08 0.00 0.03 0.00 0.00 46.19 44.10 2hsd s LEU 146 CO 0.22 -0.00 1.21 0.00 0.23 0.00 0.00 176.35 178.01 2hsd s ALA 147 N 1.42 3.14 0.00 4.21 0.00 -1.26 -3.27 121.76 126.00 2hsd s ALA 147 Ca 0.06 1.04 0.00 0.00 0.00 0.00 0.00 51.96 53.06 2hsd s ALA 147 Cb -0.15 -3.41 0.00 0.00 0.00 0.00 0.00 23.12 19.56 2hsd s ALA 147 CO 0.04 -0.66 0.00 1.28 0.00 0.00 0.00 175.76 176.43 2hsd n LEU 148 N -0.05 0.00 0.13 0.00 4.77 -1.26 -4.90 117.00 115.69 2hsd n LEU 148 Ca 0.05 0.00 0.10 0.00 -0.03 0.00 0.00 56.01 56.12 2hsd n LEU 148 Cb 0.46 0.00 0.03 0.00 -2.33 0.00 0.00 43.42 41.58 2hsd n LEU 148 CO 0.51 0.00 0.20 0.71 -1.33 0.00 0.00 177.39 177.49 2hsd h THR 149 N 0.00 0.12 0.00 -5.08 1.35 -1.71 0.98 112.91 108.57 2hsd h THR 149 Ca 0.00 -1.20 0.00 0.00 -0.55 0.00 0.00 66.41 64.66 2hsd h THR 149 Cb 0.00 1.74 0.00 0.00 -1.73 0.00 0.00 68.15 68.16 2hsd h THR 149 CO 0.00 0.07 0.00 -0.24 -0.25 0.00 0.00 175.52 175.10 2hsd n SER 150 N -2.84 0.00 0.20 5.36 2.88 -1.26 0.36 113.62 118.33 2hsd n SER 150 Ca -0.00 0.00 0.05 0.00 -1.33 0.00 0.00 58.87 57.59 2hsd n SER 150 Cb 0.59 0.00 0.44 0.00 -0.75 0.00 0.00 64.21 64.49 2hsd n SER 150 CO 0.00 0.00 0.00 0.77 -1.23 0.00 0.00 175.04 174.58 2hsd h SER 151 N 0.00 0.00 -0.25 -3.46 4.64 -1.92 -1.26 113.55 111.30 2hsd h SER 151 Ca 0.00 0.00 -0.19 0.00 -0.47 0.00 0.00 61.79 61.13 2hsd h SER 151 Cb 0.00 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.09 2hsd h SER 151 CO 0.00 0.31 -0.57 0.22 -0.87 0.00 0.00 176.83 175.92 2hsd h TYR 152 N 0.00 1.06 -0.33 4.77 3.20 -0.42 -2.43 116.97 122.82 2hsd h TYR 152 Ca -0.00 -0.40 -0.17 0.00 3.14 0.00 0.00 58.73 61.30 2hsd h TYR 152 Cb 0.60 -0.19 -0.00 0.00 1.54 0.00 0.00 36.73 38.68 2hsd h TYR 152 CO 0.00 1.22 -0.47 0.78 -1.64 0.00 0.00 178.16 178.05 2hsd h GLY 153 N 0.60 0.99 1.10 1.82 0.00 -0.90 -1.39 103.07 105.29 2hsd h GLY 153 Ca 0.00 -1.09 -0.07 0.00 0.00 0.00 0.00 47.33 46.17 2hsd h GLY 153 CO 0.13 0.98 0.15 0.00 0.00 0.00 0.00 176.54 177.80 2hsd h ALA 154 N 0.72 0.96 -0.06 3.60 0.00 -1.29 -2.85 119.26 120.34 2hsd h ALA 154 Ca 0.03 -0.25 -0.19 0.00 0.00 0.00 0.00 54.91 54.50 2hsd h ALA 154 Cb 1.08 -0.26 -0.00 0.00 0.00 0.00 0.00 17.79 18.60 2hsd h ALA 154 CO 0.11 0.66 -0.78 0.66 0.00 0.00 0.00 179.25 179.90 2hsd h SER 155 N 1.05 0.49 1.15 0.00 4.64 -1.30 -2.07 113.55 117.51 2hsd h SER 155 Ca 0.22 -0.34 -0.04 0.00 -0.47 0.00 0.00 61.79 61.16 2hsd h SER 155 Cb 0.39 -0.15 -0.01 0.00 -0.31 0.00 0.00 62.40 62.33 2hsd h SER 155 CO 0.00 1.09 -0.17 0.11 -0.87 0.00 0.00 176.83 177.00 2hsd h LYS 156 N 0.26 0.00 0.15 4.77 1.79 -1.27 -0.62 116.57 121.66 2hsd h LYS 156 Ca -0.04 0.00 -0.20 0.00 -2.18 0.00 0.00 60.65 58.23 2hsd h LYS 156 Cb 1.37 0.00 0.02 0.00 -1.58 0.00 0.00 32.23 32.04 2hsd h LYS 156 CO 0.13 0.17 -0.88 -1.49 -1.08 0.00 0.00 179.45 176.30 2hsd h TRP 157 N 0.00 0.59 -0.90 -1.35 4.06 -1.48 -2.86 115.95 114.02 2hsd h TRP 157 Ca -0.00 -0.43 0.03 0.00 2.06 0.00 0.00 58.89 60.55 2hsd h TRP 157 Cb 0.79 -0.02 -0.05 0.00 -1.00 0.00 0.00 29.16 28.87 2hsd h TRP 157 CO 0.00 1.34 0.58 0.78 -3.56 0.00 0.00 178.44 177.58 2hsd h GLY 158 N -0.32 1.31 1.47 1.49 0.00 -1.22 -1.63 103.07 104.16 2hsd h GLY 158 Ca -0.15 -0.44 -0.08 0.00 0.00 0.00 0.00 47.33 46.65 2hsd h GLY 158 CO 0.16 0.38 -0.10 -2.08 0.00 0.00 0.00 176.54 174.91 2hsd h VAL 159 N 1.13 1.24 -0.59 4.60 2.07 -1.20 -1.37 116.25 122.14 2hsd h VAL 159 Ca 0.36 -1.07 0.04 0.00 0.82 0.00 0.00 66.70 66.84 2hsd h VAL 159 Cb -0.00 1.07 -0.04 0.00 -1.52 0.00 0.00 31.29 30.80 2hsd h VAL 159 CO -0.12 0.36 0.34 -0.09 0.02 0.00 0.00 177.57 178.08 2hsd h ARG 160 N 0.59 0.64 0.00 1.57 2.43 -1.06 -2.54 114.38 116.01 2hsd h ARG 160 Ca 0.11 -0.04 -0.00 0.00 -0.81 0.00 0.00 59.98 59.23 2hsd h ARG 160 Cb 0.52 -0.14 -0.00 0.00 -0.42 0.00 0.00 29.97 29.93 2hsd h ARG 160 CO 0.03 0.42 -0.20 0.78 -1.51 0.00 0.00 179.97 179.50 2hsd h GLY 161 N 0.66 0.00 0.97 2.80 0.00 -1.30 -3.01 103.07 103.19 2hsd h GLY 161 Ca 0.25 0.00 -0.13 0.00 0.00 0.00 0.00 47.33 47.45 2hsd h GLY 161 CO -0.13 0.00 -0.32 -2.00 0.00 0.00 0.00 176.54 174.09 2hsd h LEU 162 N 0.00 0.74 -0.66 3.11 5.85 -1.07 -2.70 115.31 120.58 2hsd h LEU 162 Ca -0.00 -0.50 -0.01 0.00 0.84 0.00 0.00 57.88 58.21 2hsd h LEU 162 Cb 1.01 -0.21 -0.03 0.00 0.37 0.00 0.00 40.66 41.80 2hsd h LEU 162 CO 0.00 1.09 0.36 0.28 -0.34 0.00 0.00 178.44 179.83 2hsd h SER 163 N 0.41 0.83 -0.59 1.25 0.02 -1.44 -2.12 113.55 111.91 2hsd h SER 163 Ca 0.03 -0.10 -0.08 0.00 -0.84 0.00 0.00 61.79 60.81 2hsd h SER 163 Cb 0.90 -0.21 -0.02 0.00 0.14 0.00 0.00 62.40 63.21 2hsd h SER 163 CO 0.08 0.69 0.07 0.11 -1.14 0.00 0.00 176.83 176.63 2hsd h LYS 164 N 0.91 1.02 -0.24 3.45 1.57 -1.45 -2.09 116.57 119.74 2hsd h LYS 164 Ca 0.23 -0.28 -0.17 0.00 -1.87 0.00 0.00 60.65 58.57 2hsd h LYS 164 Cb 0.04 -0.12 -0.00 0.00 0.08 0.00 0.00 32.23 32.23 2hsd h LYS 164 CO -0.04 0.96 -0.52 1.37 -0.57 0.00 0.00 179.45 180.65 2hsd h LEU 165 N 0.96 0.77 -0.80 2.94 8.10 -1.38 -2.87 115.31 123.03 2hsd h LEU 165 Ca 0.19 -0.40 -0.06 0.00 0.11 0.00 0.00 57.88 57.71 2hsd h LEU 165 Cb 0.46 -0.22 -0.03 0.00 -0.44 0.00 0.00 40.66 40.42 2hsd h LEU 165 CO 0.02 1.15 0.19 0.00 -4.11 0.00 0.00 178.44 175.68 2hsd h ALA 166 N 0.87 1.02 -0.05 0.17 0.00 -1.27 -2.34 119.26 117.66 2hsd h ALA 166 Ca 0.02 -0.23 -0.07 0.00 0.00 0.00 0.00 54.91 54.62 2hsd h ALA 166 Cb 1.09 -0.27 -0.01 0.00 0.00 0.00 0.00 17.79 18.60 2hsd h ALA 166 CO 0.11 0.65 -0.31 0.00 0.00 0.00 0.00 179.25 179.69 2hsd h ALA 167 N 1.16 1.39 -0.09 0.00 0.00 -1.32 0.19 119.26 120.59 2hsd h ALA 167 Ca 0.22 -0.31 -0.22 0.00 0.00 0.00 0.00 54.91 54.60 2hsd h ALA 167 Cb 0.33 -0.07 0.01 0.00 0.00 0.00 0.00 17.79 18.07 2hsd h ALA 167 CO -0.00 0.44 -0.82 -0.39 0.00 0.00 0.00 179.25 178.48 2hsd h VAL 168 N 0.08 1.29 -0.00 0.00 -1.51 -1.21 -3.01 116.25 111.89 2hsd h VAL 168 Ca 0.01 -2.04 -0.16 0.00 -1.23 0.00 0.00 66.70 63.27 2hsd h VAL 168 Cb 0.59 2.16 -0.02 0.00 -2.13 0.00 0.00 31.29 31.90 2hsd h VAL 168 CO 0.04 0.64 -0.77 -0.33 -1.23 0.00 0.00 177.57 175.92 2hsd h GLU 169 N 0.41 0.04 -0.47 5.19 5.08 -1.26 -3.26 114.58 120.31 2hsd h GLU 169 Ca -0.08 -0.04 -0.11 0.00 -1.00 0.00 0.00 59.36 58.13 2hsd h GLU 169 Cb 1.47 0.01 -0.06 0.00 0.50 0.00 0.00 28.75 30.66 2hsd h GLU 169 CO 0.17 0.79 0.08 1.28 -1.00 0.00 0.00 179.01 180.33 2hsd n LEU 170 N -3.66 4.87 0.45 1.33 4.77 0.65 -4.73 117.00 120.67 2hsd n LEU 170 Ca -0.01 -3.22 -0.18 0.00 -0.03 0.00 0.00 56.01 52.57 2hsd n LEU 170 Cb 0.74 -0.64 -0.09 0.00 -2.33 0.00 0.00 43.42 41.09 2hsd n LEU 170 CO 0.44 0.82 0.51 1.23 -1.33 0.00 0.00 177.39 179.07 2hsd h GLY 171 N 2.15 -1.19 1.65 -0.72 0.00 -1.57 -2.89 103.07 100.51 2hsd h GLY 171 Ca 0.13 0.44 0.00 0.00 0.00 0.00 0.00 47.33 47.90 2hsd h GLY 171 CO 0.46 -0.43 0.00 -1.30 0.00 0.00 0.00 176.54 175.27 2hsd n THR 172 N -5.55 0.68 1.45 4.70 -2.24 -1.26 -1.40 114.28 110.66 2hsd n THR 172 Ca -0.15 0.17 0.14 0.00 -2.27 0.00 0.00 64.05 61.94 2hsd n THR 172 Cb 0.45 -0.93 0.53 0.00 -2.10 0.00 0.00 70.33 68.29 2hsd n THR 172 CO 0.00 0.00 0.00 0.47 -0.57 0.00 0.00 175.07 174.97 2hsd n ASP 173 N -1.33 1.03 -1.34 3.42 8.00 -1.11 -4.90 116.55 120.33 2hsd n ASP 173 Ca 0.06 -1.10 -0.14 0.00 0.71 0.00 0.00 54.79 54.32 2hsd n ASP 173 Cb 0.12 0.03 -0.03 0.00 -0.02 0.00 0.00 41.12 41.22 2hsd n ASP 173 CO 0.00 0.00 0.00 0.54 -0.39 0.00 0.00 177.20 177.35 2hsd n ARG 174 N -0.39 -1.03 -3.65 -1.24 1.74 -0.49 -3.96 116.66 107.64 2hsd n ARG 174 Ca 0.17 0.80 -0.39 0.00 -0.77 0.00 0.00 57.85 57.66 2hsd n ARG 174 Cb 0.32 -4.98 -0.12 0.00 -1.02 0.00 0.00 32.46 26.66 2hsd n ARG 174 CO 0.00 0.00 0.00 0.42 -1.52 0.00 0.00 177.63 176.53 2hsd s ILE 175 N -2.61 4.61 0.13 0.55 1.01 -1.12 -2.23 121.20 121.54 2hsd s ILE 175 Ca 0.00 -0.47 -0.13 0.00 0.00 0.00 0.00 60.65 60.05 2hsd s ILE 175 Cb 0.00 -3.38 -0.07 0.00 0.01 0.00 0.00 42.46 39.03 2hsd s ILE 175 CO 0.00 0.03 0.50 -0.13 0.00 0.00 0.00 174.94 175.34 2hsd s ARG 176 N 1.61 3.91 -0.22 2.79 0.52 0.46 -4.47 118.95 123.54 2hsd s ARG 176 Ca 0.04 0.39 -0.03 0.00 -0.52 0.00 0.00 55.73 55.61 2hsd s ARG 176 Cb -0.17 -2.94 0.07 0.00 0.52 0.00 0.00 34.95 32.43 2hsd s ARG 176 CO 0.06 0.50 0.07 0.08 0.02 0.00 0.00 175.30 176.03 2hsd s VAL 177 N -1.46 0.38 0.26 3.52 1.01 -1.26 -0.30 120.40 122.56 2hsd s VAL 177 Ca 0.37 -0.66 0.09 0.00 0.00 0.00 0.00 61.98 61.78 2hsd s VAL 177 Cb -0.15 -1.05 -0.05 0.00 0.00 0.00 0.00 36.38 35.13 2hsd s VAL 177 CO 0.19 -0.38 -0.13 0.20 0.00 0.00 0.00 175.10 174.98 2hsd s ASN 178 N 1.90 3.06 -0.16 3.32 -0.87 -0.65 -1.01 114.94 120.53 2hsd s ASN 178 Ca 0.03 -1.09 0.00 0.00 -1.57 0.00 0.00 52.86 50.23 2hsd s ASN 178 Cb -0.17 -0.22 0.00 0.00 -0.02 0.00 0.00 41.25 40.85 2hsd s ASN 178 CO -0.15 -0.16 -0.16 -0.94 -2.57 0.00 0.00 177.10 173.12 2hsd s SER 179 N -3.44 3.53 -0.05 -1.22 1.04 -0.63 -1.15 113.70 111.78 2hsd s SER 179 Ca 0.28 -0.52 -0.14 0.00 0.48 0.00 0.00 55.95 56.05 2hsd s SER 179 Cb -0.00 -1.54 -0.05 0.00 0.10 0.00 0.00 66.02 64.52 2hsd s SER 179 CO 0.12 0.06 0.36 -0.69 0.98 0.00 0.00 173.24 174.06 2hsd s VAL 180 N 0.96 5.15 -0.41 5.02 1.01 -0.08 0.22 120.40 132.27 2hsd s VAL 180 Ca -0.03 0.72 0.02 0.00 0.00 0.00 0.00 61.98 62.69 2hsd s VAL 180 Cb -0.15 -3.66 0.13 0.00 0.00 0.00 0.00 36.38 32.69 2hsd s VAL 180 CO -0.03 0.53 0.20 -1.00 0.00 0.00 0.00 175.10 174.81 2hsd s HIS 181 N -0.69 2.03 0.46 5.22 3.76 0.46 0.20 115.29 126.74 2hsd s HIS 181 Ca 0.22 -2.33 -0.18 0.00 -0.15 0.00 0.00 55.06 52.62 2hsd s HIS 181 Cb -0.15 -1.92 -0.09 0.00 1.11 0.00 0.00 32.58 31.53 2hsd s HIS 181 CO 0.10 -0.81 0.94 -1.25 -0.85 0.00 0.00 174.74 172.88 2hsd s PRO 182 N 0.61 4.04 0.00 8.40 0.04 -1.26 -0.63 135.00 146.20 2hsd s PRO 182 Ca 0.16 0.97 0.00 0.00 0.04 0.00 0.00 61.00 62.16 2hsd s PRO 182 Cb -0.23 -2.19 0.00 0.00 0.04 0.00 0.00 34.50 32.12 2hsd s PRO 182 CO -0.05 -0.14 0.00 0.41 0.04 0.00 0.00 177.00 177.26 2hsd n GLY 183 N -1.15 0.72 3.73 0.56 0.00 -0.42 -1.11 105.19 107.53 2hsd n GLY 183 Ca 0.06 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.67 2hsd n GLY 183 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 2hsd s MET 184 N 3.96 4.41 0.05 1.61 -1.94 -1.26 -4.86 119.30 121.26 2hsd s MET 184 Ca 0.00 1.96 0.04 0.00 -1.71 0.00 0.00 55.69 55.98 2hsd s MET 184 Cb 0.00 -3.25 -0.02 0.00 2.01 0.00 0.00 34.83 33.57 2hsd s MET 184 CO 0.00 -0.25 -0.12 0.99 -0.01 0.00 0.00 175.02 175.63 2hsd s THR 185 N 0.48 0.91 -0.34 2.05 2.01 -1.26 -1.80 115.64 117.69 2hsd s THR 185 Ca 0.58 -1.10 -0.28 0.00 0.31 0.00 0.00 61.69 61.19 2hsd s THR 185 Cb -0.34 -0.88 0.02 0.00 0.01 0.00 0.00 72.50 71.30 2hsd s THR 185 CO 0.34 -0.19 1.05 -0.47 -0.69 0.00 0.00 174.62 174.66 2hsd s TYR 186 N -1.13 3.11 -0.15 4.92 5.04 0.17 -4.78 117.35 124.53 2hsd s TYR 186 Ca -0.03 1.07 -0.14 0.00 -2.44 0.00 0.00 57.07 55.52 2hsd s TYR 186 Cb -0.09 -3.75 0.04 0.00 0.35 0.00 0.00 41.96 38.51 2hsd s TYR 186 CO 0.01 -0.82 0.41 0.99 -1.34 0.00 0.00 175.55 174.80 2hsd s THR 187 N 3.69 0.00 0.64 4.34 2.01 -1.26 -4.51 115.64 120.54 2hsd s THR 187 Ca 0.44 -0.02 0.26 0.00 0.31 0.00 0.00 61.69 62.68 2hsd s THR 187 Cb -0.12 -0.58 0.29 0.00 0.01 0.00 0.00 72.50 72.11 2hsd s THR 187 CO 0.17 -0.01 1.76 1.55 -0.69 0.00 0.00 174.62 177.41 2hsd h PRO 188 N 5.40 0.00 0.55 4.92 0.13 -1.96 0.68 132.00 141.72 2hsd h PRO 188 Ca -0.27 0.00 -0.03 0.00 -0.87 0.00 0.00 66.00 64.83 2hsd h PRO 188 Cb 1.18 0.00 0.01 0.00 0.13 0.00 0.00 31.00 32.32 2hsd h PRO 188 CO 0.26 0.00 -0.26 1.98 -0.23 0.00 0.00 178.00 179.74 2hsd h MET 189 N 0.00 -0.71 -0.06 0.86 4.05 -1.96 -0.22 114.93 116.89 2hsd h MET 189 Ca 0.10 0.05 -0.01 0.00 -0.28 0.00 0.00 59.70 59.55 2hsd h MET 189 Cb 1.12 0.16 -0.00 0.00 -0.80 0.00 0.00 31.60 32.08 2hsd h MET 189 CO -0.00 -0.40 -0.01 1.79 0.23 0.00 0.00 176.91 178.52 2hsd h THR 190 N -1.02 1.05 -0.49 -0.77 1.35 -0.82 -1.67 112.91 110.54 2hsd h THR 190 Ca -0.07 -0.20 -0.09 0.00 -0.55 0.00 0.00 66.41 65.49 2hsd h THR 190 Cb 0.63 1.02 -0.02 0.00 -1.73 0.00 0.00 68.15 68.05 2hsd h THR 190 CO 0.12 0.07 -0.06 0.00 -0.25 0.00 0.00 175.52 175.40 2hsd h ALA 191 N 1.91 0.96 0.00 6.62 0.00 0.41 -0.68 119.26 128.48 2hsd h ALA 191 Ca 0.02 -0.31 -0.03 0.00 0.00 0.00 0.00 54.91 54.60 2hsd h ALA 191 Cb 0.08 -0.19 -0.00 0.00 0.00 0.00 0.00 17.79 17.68 2hsd h ALA 191 CO 0.00 0.62 -0.13 0.93 0.00 0.00 0.00 179.25 180.67 2hsd h GLU 192 N 0.80 0.00 -0.00 0.00 4.39 -0.07 0.13 114.58 119.83 2hsd h GLU 192 Ca 0.14 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.84 2hsd h GLU 192 Cb 0.56 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.21 2hsd h GLU 192 CO 0.03 0.13 -0.00 2.41 -1.16 0.00 0.00 179.01 180.42 2hsd n THR 193 N -3.58 0.00 -0.60 1.13 -1.04 -0.38 -4.88 114.28 104.94 2hsd n THR 193 Ca -0.01 -0.03 0.00 0.00 -2.04 0.00 0.00 64.05 61.96 2hsd n THR 193 Cb 0.26 -0.37 0.00 0.00 -1.82 0.00 0.00 70.33 68.41 2hsd n THR 193 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 2hsd n GLY 194 N 1.04 0.73 3.63 3.41 0.00 0.45 -5.02 105.19 109.44 2hsd n GLY 194 Ca 0.23 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.82 2hsd n GLY 194 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2hsd s ILE 195 N -2.38 4.01 -0.11 -0.61 -1.09 -0.54 -4.98 121.20 115.50 2hsd s ILE 195 Ca 0.00 1.15 -0.10 0.00 -2.23 0.00 0.00 60.65 59.47 2hsd s ILE 195 Cb 0.00 -3.99 -0.05 0.00 -1.58 0.00 0.00 42.46 36.84 2hsd s ILE 195 CO 0.00 -0.38 0.23 -0.13 -1.23 0.00 0.00 174.94 173.43 2hsd s ARG 196 N 4.25 3.79 0.71 2.79 0.52 -1.26 -4.15 118.95 125.60 2hsd s ARG 196 Ca 0.61 0.03 -0.11 0.00 -0.52 0.00 0.00 55.73 55.74 2hsd s ARG 196 Cb -0.20 -3.27 0.01 0.00 0.52 0.00 0.00 34.95 32.02 2hsd s ARG 196 CO 0.24 0.60 1.07 1.14 0.02 0.00 0.00 175.30 178.37 2hsd s GLN 197 N -0.60 2.85 0.00 3.54 0.00 -1.26 -4.69 119.66 119.50 2hsd s GLN 197 Ca 0.17 0.78 0.00 0.00 -0.00 0.00 0.00 55.36 56.30 2hsd s GLN 197 Cb -0.13 -1.99 0.00 0.00 0.00 0.00 0.00 33.01 30.88 2hsd s GLN 197 CO 0.05 -1.11 0.00 0.41 0.00 0.00 0.00 175.29 174.64 2hsd n GLY 198 N -2.29 3.02 3.77 2.60 0.00 -1.26 -4.85 105.19 106.17 2hsd n GLY 198 Ca 0.07 -1.65 -0.41 0.00 0.00 0.00 0.00 46.02 44.04 2hsd n GLY 198 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 2hsd s GLU 199 N -4.48 4.12 0.00 1.61 2.12 -1.26 -2.19 118.70 118.62 2hsd s GLU 199 Ca 0.00 2.43 0.00 0.00 0.36 0.00 0.00 54.97 57.76 2hsd s GLU 199 Cb 0.00 -2.95 0.00 0.00 0.26 0.00 0.00 34.13 31.44 2hsd s GLU 199 CO 0.00 -0.47 0.00 0.41 -0.54 0.00 0.00 175.26 174.66 2hsd n GLY 200 N 0.58 2.95 0.00 -1.50 0.00 0.10 -4.85 105.19 102.46 2hsd n GLY 200 Ca 0.01 0.00 0.07 0.00 0.00 0.00 0.00 46.02 46.10 2hsd n GLY 200 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 2hsd n ASN 201 N 0.28 0.00 -3.47 1.61 3.02 -0.93 -4.08 115.26 111.69 2hsd n ASN 201 Ca 0.00 -0.69 -0.28 0.00 -0.03 0.00 0.00 54.58 53.58 2hsd n ASN 201 Cb 0.00 0.00 -0.12 0.00 -0.61 0.00 0.00 39.78 39.05 2hsd n ASN 201 CO 0.00 0.00 0.00 -0.47 -2.62 0.00 0.00 177.26 174.17 2hsd s TYR 202 N -2.00 0.96 0.14 3.10 5.04 -1.10 -4.71 117.35 118.78 2hsd s TYR 202 Ca 0.20 -1.90 -0.18 0.00 -2.44 0.00 0.00 57.07 52.74 2hsd s TYR 202 Cb 0.09 -1.01 0.02 0.00 0.35 0.00 0.00 41.96 41.41 2hsd s TYR 202 CO 0.15 -0.82 1.74 -1.35 -1.34 0.00 0.00 175.55 173.93 2hsd h PRO 203 N 6.58 0.17 -1.44 4.97 0.11 -1.80 -2.90 132.00 137.68 2hsd h PRO 203 Ca 0.11 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 66.21 2hsd h PRO 203 Cb 0.95 -0.04 0.00 0.00 0.11 0.00 0.00 31.00 32.02 2hsd h PRO 203 CO 0.32 0.11 0.00 0.09 -0.21 0.00 0.00 178.00 178.31 2hsd n ASN 204 N -5.08 1.71 -3.73 -2.05 3.02 -1.26 -4.63 115.26 103.24 2hsd n ASN 204 Ca -0.01 -1.14 -0.13 0.00 -0.03 0.00 0.00 54.58 53.28 2hsd n ASN 204 Cb 0.12 -0.29 -0.14 0.00 -0.61 0.00 0.00 39.78 38.86 2hsd n ASN 204 CO 0.00 0.00 0.00 -0.89 -2.62 0.00 0.00 177.26 173.75 2hsd s THR 205 N 0.44 -0.07 0.34 3.41 2.01 -1.22 -4.88 115.64 115.67 2hsd s THR 205 Ca 0.00 0.18 0.13 0.00 0.31 0.00 0.00 61.69 62.30 2hsd s THR 205 Cb 0.00 -0.31 0.37 0.00 0.01 0.00 0.00 72.50 72.57 2hsd s THR 205 CO 0.00 0.07 1.58 -0.65 -0.69 0.00 0.00 174.62 174.94 2hsd h PRO 206 N 7.31 0.03 0.00 4.92 0.11 -1.74 0.24 132.00 142.88 2hsd h PRO 206 Ca -0.40 -0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.71 2hsd h PRO 206 Cb 1.14 -0.01 0.00 0.00 0.11 0.00 0.00 31.00 32.25 2hsd h PRO 206 CO 0.38 0.02 0.00 -1.33 -0.21 0.00 0.00 178.00 176.86 2hsd n MET 207 N -5.33 0.57 -2.02 1.05 2.81 -0.43 -4.90 117.12 108.87 2hsd n MET 207 Ca 0.31 0.03 -0.17 0.00 -1.81 0.00 0.00 57.70 56.06 2hsd n MET 207 Cb 1.05 -1.50 -0.03 0.00 -0.71 0.00 0.00 33.22 32.02 2hsd n MET 207 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 2hsd n GLY 208 N 0.43 0.39 3.60 3.03 0.00 0.85 -4.78 105.19 108.71 2hsd n GLY 208 Ca 0.15 -0.20 -0.05 0.00 0.00 0.00 0.00 46.02 45.92 2hsd n GLY 208 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 2hsd s ARG 209 N -4.32 0.74 0.38 1.61 1.70 -1.10 0.00 118.95 117.96 2hsd s ARG 209 Ca 0.00 -0.34 -0.09 0.00 -0.47 0.00 0.00 55.73 54.84 2hsd s ARG 209 Cb 0.00 0.30 -0.06 0.00 -0.57 0.00 0.00 34.95 34.62 2hsd s ARG 209 CO 0.00 -0.33 0.72 0.54 -1.08 0.00 0.00 175.30 175.14 2hsd s VAL 210 N -2.91 4.85 0.38 4.99 0.11 -1.26 -4.82 120.40 121.75 2hsd s VAL 210 Ca 0.09 0.46 0.01 0.00 -2.93 0.00 0.00 61.98 59.60 2hsd s VAL 210 Cb -0.00 -3.74 -0.02 0.00 -1.53 0.00 0.00 36.38 31.09 2hsd s VAL 210 CO -0.05 -0.48 0.59 -0.83 -3.33 0.00 0.00 175.10 171.00 2hsd s GLY 211 N -3.20 1.45 0.06 6.54 0.00 -0.74 -4.71 107.32 106.71 2hsd s GLY 211 Ca 0.49 -1.02 -0.01 0.00 0.00 0.00 0.00 44.72 44.19 2hsd s GLY 211 CO 0.32 -0.91 0.22 -0.54 0.00 0.00 0.00 173.10 172.18 2hsd s GLU 213 N -4.39 3.45 0.28 2.90 0.41 -1.26 0.45 118.70 120.54 2hsd s GLU 213 Ca 0.44 -0.41 0.02 0.00 -0.41 0.00 0.00 54.97 54.61 2hsd s GLU 213 Cb -0.10 -3.03 0.64 0.00 -1.78 0.00 0.00 34.13 29.86 2hsd s GLU 213 CO 0.36 0.61 1.75 -1.35 -0.49 0.00 0.00 175.26 176.13 2hsd h PRO 214 N 3.12 0.57 0.00 0.39 0.11 -1.97 -0.65 132.00 133.57 2hsd h PRO 214 Ca -0.45 -0.03 -0.02 0.00 0.11 0.00 0.00 66.00 65.60 2hsd h PRO 214 Cb 1.16 -0.13 -0.00 0.00 0.11 0.00 0.00 31.00 32.14 2hsd h PRO 214 CO 0.75 0.38 -0.11 0.78 -0.21 0.00 0.00 178.00 179.59 2hsd h GLY 215 N 0.59 0.00 1.66 -0.55 0.00 -1.95 0.33 103.07 103.15 2hsd h GLY 215 Ca 0.52 0.00 -0.09 0.00 0.00 0.00 0.00 47.33 47.75 2hsd h GLY 215 CO -0.41 0.00 -0.28 0.83 0.00 0.00 0.00 176.54 176.68 2hsd h GLU 216 N 0.00 0.39 0.08 4.80 5.08 -1.51 -1.41 114.58 122.00 2hsd h GLU 216 Ca -0.00 -0.15 -0.30 0.00 -1.00 0.00 0.00 59.36 57.91 2hsd h GLU 216 Cb 0.32 -0.02 -0.02 0.00 0.50 0.00 0.00 28.75 29.53 2hsd h GLU 216 CO 0.01 0.64 -1.56 0.82 -1.00 0.00 0.00 179.01 177.92 2hsd h ILE 217 N 0.35 1.09 -0.27 3.13 2.04 -1.26 -3.32 117.51 119.26 2hsd h ILE 217 Ca 0.05 -2.80 -0.03 0.00 1.00 0.00 0.00 64.86 63.08 2hsd h ILE 217 Cb 0.67 2.66 -0.01 0.00 -0.74 0.00 0.00 36.82 39.39 2hsd h ILE 217 CO 0.05 0.76 0.04 0.00 0.00 0.00 0.00 178.15 179.00 2hsd h ALA 218 N 0.64 1.57 -0.15 1.87 0.00 -0.24 -2.58 119.26 120.36 2hsd h ALA 218 Ca -0.24 -0.13 -0.06 0.00 0.00 0.00 0.00 54.91 54.47 2hsd h ALA 218 Cb 1.99 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 19.65 2hsd h ALA 218 CO 0.13 0.32 -0.19 0.78 0.00 0.00 0.00 179.25 180.29 2hsd h GLY 219 N 0.64 0.28 1.94 0.00 0.00 -1.36 -2.67 103.07 101.90 2hsd h GLY 219 Ca 0.09 -0.19 -0.18 0.00 0.00 0.00 0.00 47.33 47.05 2hsd h GLY 219 CO 0.00 0.18 -0.86 0.00 0.00 0.00 0.00 176.54 175.86 2hsd h ALA 220 N 1.57 0.58 -0.08 3.60 0.00 -1.60 -3.11 119.26 120.23 2hsd h ALA 220 Ca 0.04 -0.76 -0.01 0.00 0.00 0.00 0.00 54.91 54.19 2hsd h ALA 220 Cb 0.48 -0.12 -0.00 0.00 0.00 0.00 0.00 17.79 18.15 2hsd h ALA 220 CO 0.03 1.02 0.02 0.28 0.00 0.00 0.00 179.25 180.60 2hsd h VAL 221 N 0.03 1.20 -0.62 0.00 2.07 -1.38 -2.33 116.25 115.21 2hsd h VAL 221 Ca -0.02 -0.60 0.05 0.00 0.82 0.00 0.00 66.70 66.96 2hsd h VAL 221 Cb 1.50 1.45 -0.04 0.00 -1.52 0.00 0.00 31.29 32.69 2hsd h VAL 221 CO 0.12 0.17 0.41 0.58 0.02 0.00 0.00 177.57 178.87 2hsd h VAL 222 N -0.09 1.03 0.07 2.57 2.07 -1.57 -0.35 116.25 119.97 2hsd h VAL 222 Ca 0.02 -0.22 -0.00 0.00 0.82 0.00 0.00 66.70 67.32 2hsd h VAL 222 Cb 0.25 0.32 0.00 0.00 -1.52 0.00 0.00 31.29 30.34 2hsd h VAL 222 CO 0.00 0.12 -0.03 0.50 0.02 0.00 0.00 177.57 178.18 2hsd h LYS 223 N 0.65 -0.09 -0.36 1.57 3.11 -1.40 -0.08 116.57 119.97 2hsd h LYS 223 Ca 0.26 0.01 -0.09 0.00 -2.81 0.00 0.00 60.65 58.02 2hsd h LYS 223 Cb 0.22 0.02 -0.02 0.00 -1.00 0.00 0.00 32.23 31.45 2hsd h LYS 223 CO -0.08 0.08 -0.14 -0.07 -2.81 0.00 0.00 179.45 176.43 2hsd h LEU 224 N -0.24 0.64 -1.05 5.20 3.38 -0.93 -2.64 115.31 119.67 2hsd h LEU 224 Ca -0.01 -0.19 -0.09 0.00 0.09 0.00 0.00 57.88 57.68 2hsd h LEU 224 Cb 0.21 -0.17 -0.01 0.00 0.09 0.00 0.00 40.66 40.77 2hsd h LEU 224 CO 0.02 0.80 -0.30 -0.07 0.09 0.00 0.00 178.44 178.98 2hsd h LEU 225 N 0.59 0.31-10.25 1.67 4.07 -0.90 -3.45 115.31 107.35 2hsd h LEU 225 Ca 0.10 -0.11 -0.49 0.00 0.08 0.00 0.00 57.88 57.46 2hsd h LEU 225 Cb 0.58 -0.08 0.05 0.00 1.08 0.00 0.00 40.66 42.29 2hsd h LEU 225 CO 0.04 0.60 0.39 -0.94 -1.08 0.00 0.00 178.44 177.45 2hsd s SER 226 N -6.86 6.19 0.13 -0.43 1.04 -0.06 -4.82 113.70 108.88 2hsd s SER 226 Ca -0.05 1.60 0.11 0.00 0.48 0.00 0.00 55.95 58.08 2hsd s SER 226 Cb 0.14 -2.50 0.55 0.00 0.10 0.00 0.00 66.02 64.31 2hsd s SER 226 CO 0.77 -0.89 1.34 0.47 0.98 0.00 0.00 173.24 175.91 2hsd n ASP 227 N -2.14 0.24 0.31 7.02 8.00 -1.26 -2.09 116.55 126.63 2hsd n ASP 227 Ca 0.07 0.60 0.21 0.00 0.71 0.00 0.00 54.79 56.37 2hsd n ASP 227 Cb 0.54 -0.63 1.05 0.00 -0.02 0.00 0.00 41.12 42.06 2hsd n ASP 227 CO 0.00 0.00 0.00 0.74 -0.39 0.00 0.00 177.20 177.55 2hsd h THR 228 N 0.00 0.00 -0.97 -3.53 2.02 -1.92 -1.43 112.91 107.08 2hsd h THR 228 Ca 0.00 -0.10 -0.59 0.00 0.77 0.00 0.00 66.41 66.49 2hsd h THR 228 Cb 0.07 1.05 -0.40 0.00 -1.74 0.00 0.00 68.15 67.13 2hsd h THR 228 CO 0.00 0.00 -0.45 -1.54 0.37 0.00 0.00 175.52 173.90 2hsd n SER 229 N -2.99 5.45 0.33 4.18 3.41 -0.89 -4.78 113.62 118.33 2hsd n SER 229 Ca -0.02 -3.76 0.22 0.00 -0.26 0.00 0.00 58.87 55.05 2hsd n SER 229 Cb 0.11 -0.49 1.10 0.00 -0.26 0.00 0.00 64.21 64.67 2hsd n SER 229 CO 0.00 0.00 0.00 0.77 -0.16 0.00 0.00 175.04 175.65 2hsd h SER 230 N 2.25 0.00 -0.11 4.04 4.64 -1.45 -1.91 113.55 121.01 2hsd h SER 230 Ca 0.40 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.72 2hsd h SER 230 Cb 1.25 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.34 2hsd h SER 230 CO 0.94 0.00 0.00 0.00 -0.87 0.00 0.00 176.83 176.90 2hsd n TYR 231 N -3.10 0.12 -3.09 4.77 9.36 -1.26 -4.94 117.16 119.02 2hsd n TYR 231 Ca -0.02 -0.08 -0.40 0.00 3.32 0.00 0.00 57.90 60.72 2hsd n TYR 231 Cb 0.12 -0.00 -0.06 0.00 -0.63 0.00 0.00 39.34 38.78 2hsd n TYR 231 CO 0.00 0.00 0.00 0.08 0.22 0.00 0.00 176.86 177.16 2hsd s VAL 232 N -1.40 5.01 -0.25 2.97 1.01 -0.72 -5.03 120.40 121.99 2hsd s VAL 232 Ca 0.23 1.25 -0.16 0.00 0.00 0.00 0.00 61.98 63.31 2hsd s VAL 232 Cb 0.15 -3.97 0.07 0.00 0.00 0.00 0.00 36.38 32.64 2hsd s VAL 232 CO 0.23 0.12 0.63 -0.89 0.00 0.00 0.00 175.10 175.19 2hsd s THR 233 N 1.77 -0.00 -0.67 3.92 2.01 -1.26 -4.63 115.64 116.76 2hsd s THR 233 Ca 0.31 0.02 0.00 0.00 0.31 0.00 0.00 61.69 62.32 2hsd s THR 233 Cb -0.16 -0.90 0.00 0.00 0.01 0.00 0.00 72.50 71.45 2hsd s THR 233 CO 0.11 0.01 0.00 0.61 -0.69 0.00 0.00 174.62 174.66 2hsd n GLY 234 N 3.99 0.64 4.00 4.40 0.00 -0.18 -4.95 105.19 113.10 2hsd n GLY 234 Ca -0.19 -0.70 -0.20 0.00 0.00 0.00 0.00 46.02 44.92 2hsd n GLY 234 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2hsd s ALA 235 N -2.28 4.20 -0.02 4.61 0.00 -1.26 -4.88 121.76 122.14 2hsd s ALA 235 Ca 0.00 -1.71 0.00 0.00 0.00 0.00 0.00 51.96 50.26 2hsd s ALA 235 Cb 0.00 -1.81 0.01 0.00 0.00 0.00 0.00 23.12 21.33 2hsd s ALA 235 CO 0.00 -0.84 -0.01 -1.83 0.00 0.00 0.00 175.76 173.08 2hsd s GLU 236 N -4.74 0.20 -0.12 0.00 -1.05 -1.26 -1.61 118.70 110.13 2hsd s GLU 236 Ca 0.60 0.02 0.00 0.00 -0.15 0.00 0.00 54.97 55.44 2hsd s GLU 236 Cb -0.08 -0.31 0.02 0.00 -0.44 0.00 0.00 34.13 33.32 2hsd s GLU 236 CO 0.39 -0.06 -0.11 -1.17 0.95 0.00 0.00 175.26 175.26 2hsd s LEU 237 N 0.54 1.41 -0.29 1.83 2.96 0.13 -4.95 118.68 120.31 2hsd s LEU 237 Ca -0.05 -0.36 -0.12 0.00 -0.22 0.00 0.00 54.13 53.37 2hsd s LEU 237 Cb -0.08 -0.96 -0.04 0.00 0.50 0.00 0.00 46.19 45.61 2hsd s LEU 237 CO -0.01 -0.08 0.24 0.00 -1.32 0.00 0.00 176.35 175.18 2hsd s ALA 238 N 1.49 3.53 -0.59 5.97 0.00 -1.26 0.17 121.76 131.08 2hsd s ALA 238 Ca 0.02 -1.11 -0.03 0.00 0.00 0.00 0.00 51.96 50.85 2hsd s ALA 238 Cb -0.13 -2.57 0.15 0.00 0.00 0.00 0.00 23.12 20.57 2hsd s ALA 238 CO -0.07 -0.67 0.40 0.08 0.00 0.00 0.00 175.76 175.49 2hsd s VAL 239 N 1.82 3.61 0.00 0.00 1.01 0.19 -4.85 120.40 122.18 2hsd s VAL 239 Ca 0.08 -2.83 0.01 0.00 0.00 0.00 0.00 61.98 59.25 2hsd s VAL 239 Cb -0.16 -3.37 0.02 0.00 0.00 0.00 0.00 36.38 32.86 2hsd s VAL 239 CO 0.11 -0.84 0.73 -0.90 0.00 0.00 0.00 175.10 174.19 2hsd n ASP 240 N 3.65 -0.03 -2.26 3.32 5.75 -1.26 -1.30 116.55 124.41 2hsd n ASP 240 Ca 0.06 -1.44 -0.19 0.00 -0.01 0.00 0.00 54.79 53.21 2hsd n ASP 240 Cb 0.38 -0.05 -0.02 0.00 -1.03 0.00 0.00 41.12 40.40 2hsd n ASP 240 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 2hsd n GLY 241 N 0.02 -0.08 2.05 6.12 0.00 -1.26 -1.68 105.19 110.36 2hsd n GLY 241 Ca -0.02 0.00 -0.01 0.00 0.00 0.00 0.00 46.02 45.99 2hsd n GLY 241 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2hsd n GLY 242 N -0.87 0.49 0.25 -0.02 0.00 -1.26 -1.32 105.19 102.46 2hsd n GLY 242 Ca -0.22 -0.80 0.05 0.00 0.00 0.00 0.00 46.02 45.04 2hsd n GLY 242 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 173.32 173.07 2hsd h TRP 243 N 0.00 0.16 0.00 1.61 7.01 -1.65 -2.93 115.95 120.15 2hsd h TRP 243 Ca -0.02 -0.01 0.00 0.00 2.11 0.00 0.00 58.89 60.97 2hsd h TRP 243 Cb 0.09 -0.05 0.00 0.00 -2.10 0.00 0.00 29.16 27.10 2hsd h TRP 243 CO 0.04 0.21 -1.18 2.41 -2.79 0.00 0.00 178.44 177.13 2hsd n THR 244 N -4.39 0.51 -2.97 2.65 -1.04 -1.26 -4.64 114.28 103.13 2hsd n THR 244 Ca -0.01 -0.54 -0.44 0.00 -2.04 0.00 0.00 64.05 61.02 2hsd n THR 244 Cb 0.18 -0.27 -0.03 0.00 -1.82 0.00 0.00 70.33 68.39 2hsd n THR 244 CO 0.00 0.00 0.00 0.28 -0.64 0.00 0.00 175.07 174.71 2hsd s THR 245 N -3.39 4.82 0.58 12.58 -1.32 -1.11 -4.95 115.64 122.85 2hsd s THR 245 Ca -0.02 -1.65 0.00 0.00 -1.21 0.00 0.00 61.69 58.82 2hsd s THR 245 Cb 0.10 -4.74 0.00 0.00 -1.51 0.00 0.00 72.50 66.35 2hsd s THR 245 CO 0.81 -1.45 0.00 0.61 -2.21 0.00 0.00 174.62 172.38 2hsd n GLY 246 N 5.33 -3.35 3.74 6.08 0.00 -1.26 -4.93 105.19 110.80 2hsd n GLY 246 Ca 0.22 -0.87 -0.31 0.00 0.00 0.00 0.00 46.02 45.06 2hsd n GLY 246 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2hsd s PRO 247 N -4.77 1.96 0.37 1.61 0.04 -1.26 -4.85 135.00 128.10 2hsd s PRO 247 Ca 0.00 1.29 -0.27 0.00 0.04 0.00 0.00 61.00 62.07 2hsd s PRO 247 Cb 0.00 -1.85 -0.09 0.00 0.04 0.00 0.00 34.50 32.60 2hsd s PRO 247 CO 0.00 -1.89 1.20 -0.08 0.04 0.00 0.00 177.00 176.27 2hsd s THR 248 N -2.79 3.07 0.28 1.26 -1.32 -1.26 -4.79 115.64 110.09 2hsd s THR 248 Ca 0.63 0.96 -0.05 0.00 -1.21 0.00 0.00 61.69 62.02 2hsd s THR 248 Cb -0.19 -3.57 0.40 0.00 -1.51 0.00 0.00 72.50 67.63 2hsd s THR 248 CO 0.56 0.15 1.58 0.58 -2.21 0.00 0.00 174.62 175.27 2hsd h VAL 249 N 2.59 0.08 -0.81 5.08 2.07 -1.96 0.20 116.25 123.51 2hsd h VAL 249 Ca -0.49 -0.01 0.13 0.00 0.82 0.00 0.00 66.70 67.16 2hsd h VAL 249 Cb 1.23 0.07 -0.09 0.00 -1.52 0.00 0.00 31.29 30.98 2hsd h VAL 249 CO 0.64 0.00 0.41 0.50 0.02 0.00 0.00 177.57 179.14 2hsd h LYS 250 N 0.02 0.60 0.00 1.57 3.64 -1.95 0.32 116.57 120.77 2hsd h LYS 250 Ca 0.49 -0.04 -0.10 0.00 -1.27 0.00 0.00 60.65 59.74 2hsd h LYS 250 Cb 0.87 -0.14 -0.01 0.00 -0.41 0.00 0.00 32.23 32.54 2hsd h LYS 250 CO -0.91 0.40 -0.49 -0.92 -2.27 0.00 0.00 179.45 175.26 2hsd h TYR 251 N 0.62 0.00 -0.12 1.91 5.03 -1.00 0.48 116.97 123.89 2hsd h TYR 251 Ca 0.43 0.00 -0.19 0.00 2.58 0.00 0.00 58.73 61.55 2hsd h TYR 251 Cb 0.55 0.00 -0.00 0.00 1.55 0.00 0.00 36.73 38.83 2hsd h TYR 251 CO -0.10 0.49 -0.70 0.28 -1.32 0.00 0.00 178.16 176.80 2hsd h VAL 252 N 0.00 1.35 -0.20 1.81 2.07 0.59 -2.71 116.25 119.15 2hsd h VAL 252 Ca -0.00 -2.03 -0.05 0.00 0.82 0.00 0.00 66.70 65.44 2hsd h VAL 252 Cb 0.86 2.01 -0.03 0.00 -1.52 0.00 0.00 31.29 32.62 2hsd h VAL 252 CO 0.06 0.62 0.06 0.23 0.02 0.00 0.00 177.57 178.56 2hsd n MET 253 N -3.88 1.90 -2.40 1.57 2.81 0.80 -4.84 117.12 113.07 2hsd n MET 253 Ca -0.05 -0.90 -0.14 0.00 -1.81 0.00 0.00 57.70 54.80 2hsd n MET 253 Cb 0.69 -1.61 -0.01 0.00 -0.71 0.00 0.00 33.22 31.59 2hsd n MET 253 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 2hsd n GLY 254 N 0.13 -0.45 0.80 3.03 0.00 -1.02 -5.02 105.19 102.67 2hsd n GLY 254 Ca 0.11 0.00 0.10 0.00 0.00 0.00 0.00 46.02 46.23 2hsd n GLY 254 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26