#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2hsd n ASP 3 N 0.00 5.12 -4.70 0.53 8.00 -1.26 -4.45 116.55 119.78 2hsd n ASP 3 Ca 0.00 -2.78 -0.23 0.00 0.71 0.00 0.00 54.79 52.49 2hsd n ASP 3 Cb 0.00 -1.63 -0.06 0.00 -0.02 0.00 0.00 41.12 39.41 2hsd n ASP 3 CO 0.00 0.00 0.00 -0.22 -0.39 0.00 0.00 177.20 176.59 2hsd s LEU 4 N 1.63 3.34 0.29 0.64 2.96 -1.26 -4.93 118.68 121.35 2hsd s LEU 4 Ca 0.52 -0.59 0.04 0.00 -0.22 0.00 0.00 54.13 53.88 2hsd s LEU 4 Cb 0.15 -1.85 -0.06 0.00 0.50 0.00 0.00 46.19 44.92 2hsd s LEU 4 CO -0.08 -0.08 0.02 -0.44 -1.32 0.00 0.00 176.35 174.45 2hsd s SER 5 N -3.75 2.28 -0.01 3.68 0.01 -0.90 -4.51 113.70 110.50 2hsd s SER 5 Ca 0.33 -1.30 0.00 0.00 1.31 0.00 0.00 55.95 56.30 2hsd s SER 5 Cb -0.06 -0.07 0.01 0.00 0.21 0.00 0.00 66.02 66.11 2hsd s SER 5 CO 0.22 -0.53 0.75 0.61 0.41 0.00 0.00 173.24 174.69 2hsd n GLY 6 N -0.59 0.27 3.58 3.44 0.00 -1.26 -4.65 105.19 105.98 2hsd n GLY 6 Ca -0.04 -0.01 -0.27 0.00 0.00 0.00 0.00 46.02 45.71 2hsd n GLY 6 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2hsd s LYS 7 N 0.00 1.95 -0.32 1.61 0.00 -1.26 -5.01 119.74 116.72 2hsd s LYS 7 Ca 0.00 -2.18 -0.05 0.00 0.00 0.00 0.00 55.97 53.75 2hsd s LYS 7 Cb 0.01 -1.03 0.04 0.00 0.00 0.00 0.00 37.83 36.85 2hsd s LYS 7 CO -0.00 -0.34 0.06 0.99 0.00 0.00 0.00 175.35 176.06 2hsd s THR 8 N -3.08 3.50 -0.15 3.79 2.01 -1.26 -1.60 115.64 118.85 2hsd s THR 8 Ca 0.23 -1.15 -0.00 0.00 0.31 0.00 0.00 61.69 61.07 2hsd s THR 8 Cb 0.04 -2.96 -0.00 0.00 0.01 0.00 0.00 72.50 69.59 2hsd s THR 8 CO 0.12 -0.10 -0.14 0.68 -0.69 0.00 0.00 174.62 174.48 2hsd s VAL 9 N 1.36 2.77 -0.17 3.82 -7.23 -0.49 -1.00 120.40 119.47 2hsd s VAL 9 Ca -0.02 -0.73 -0.22 0.00 -1.81 0.00 0.00 61.98 59.19 2hsd s VAL 9 Cb -0.19 -2.18 -0.02 0.00 0.56 0.00 0.00 36.38 34.55 2hsd s VAL 9 CO 0.01 0.51 0.69 0.27 -0.31 0.00 0.00 175.10 176.27 2hsd s ILE 10 N 0.77 4.99 -0.23 -0.62 -5.25 0.23 -1.77 121.20 119.32 2hsd s ILE 10 Ca -0.06 1.34 -0.03 0.00 -0.99 0.00 0.00 60.65 60.92 2hsd s ILE 10 Cb -0.15 -4.01 0.01 0.00 2.95 0.00 0.00 42.46 41.26 2hsd s ILE 10 CO 0.01 0.11 -0.06 -0.63 -1.79 0.00 0.00 174.94 172.59 2hsd s ILE 11 N 1.77 3.08 -0.10 8.37 1.01 0.11 -1.21 121.20 134.23 2hsd s ILE 11 Ca 0.33 -0.77 -0.16 0.00 0.00 0.00 0.00 60.65 60.04 2hsd s ILE 11 Cb -0.16 -2.47 -0.05 0.00 0.01 0.00 0.00 42.46 39.79 2hsd s ILE 11 CO 0.12 0.32 0.42 -0.89 0.00 0.00 0.00 174.94 174.91 2hsd s THR 12 N 1.40 5.17 0.00 2.92 2.01 -0.53 -1.32 115.64 125.29 2hsd s THR 12 Ca 0.03 0.84 0.00 0.00 0.31 0.00 0.00 61.69 62.87 2hsd s THR 12 Cb -0.15 -3.75 0.00 0.00 0.01 0.00 0.00 72.50 68.60 2hsd s THR 12 CO -0.04 0.40 0.00 0.61 -0.69 0.00 0.00 174.62 174.90 2hsd n GLY 13 N 2.94 0.41 0.69 4.40 0.00 0.95 -2.32 105.19 112.27 2hsd n GLY 13 Ca -0.10 -0.94 0.03 0.00 0.00 0.00 0.00 46.02 45.01 2hsd n GLY 13 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2hsd n GLY 14 N -1.80 0.95 0.21 -0.02 0.00 -1.17 -3.76 105.19 99.59 2hsd n GLY 14 Ca 0.00 -0.30 0.10 0.00 0.00 0.00 0.00 46.02 45.82 2hsd n GLY 14 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2hsd h ALA 15 N 3.16 0.92 -2.99 4.61 0.00 -1.89 -3.21 119.26 119.85 2hsd h ALA 15 Ca 0.00 -0.16 -0.05 0.00 0.00 0.00 0.00 54.91 54.70 2hsd h ALA 15 Cb 0.62 -0.03 -0.01 0.00 0.00 0.00 0.00 17.79 18.37 2hsd h ALA 15 CO 0.07 0.22 0.21 -0.98 0.00 0.00 0.00 179.25 178.76 2hsd s ARG 16 N -3.28 2.17 3.89 0.00 1.70 -1.25 -4.47 118.95 117.70 2hsd s ARG 16 Ca 0.04 -1.46 0.00 0.00 -0.47 0.00 0.00 55.73 53.84 2hsd s ARG 16 Cb 0.07 0.60 0.00 0.00 -0.57 0.00 0.00 34.95 35.05 2hsd s ARG 16 CO 0.67 -1.00 0.00 0.41 -1.08 0.00 0.00 175.30 174.30 2hsd n GLY 17 N -0.53 2.70 0.14 3.88 0.00 -1.26 -2.69 105.19 107.43 2hsd n GLY 17 Ca -0.07 -0.18 -0.06 0.00 0.00 0.00 0.00 46.02 45.71 2hsd n GLY 17 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 2hsd h LEU 18 N 0.00 0.01 -0.73 0.99 4.07 -1.92 -2.07 115.31 115.65 2hsd h LEU 18 Ca 0.00 0.05 0.13 0.00 0.08 0.00 0.00 57.88 58.14 2hsd h LEU 18 Cb 0.00 0.07 -0.09 0.00 1.08 0.00 0.00 40.66 41.72 2hsd h LEU 18 CO 0.00 0.04 0.31 1.23 -1.08 0.00 0.00 178.44 178.94 2hsd h GLY 19 N 0.17 1.10 0.89 0.83 0.00 -1.60 0.90 103.07 105.36 2hsd h GLY 19 Ca 0.15 -0.16 -0.10 0.00 0.00 0.00 0.00 47.33 47.22 2hsd h GLY 19 CO -0.20 -0.06 -0.26 0.00 0.00 0.00 0.00 176.54 176.02 2hsd h ALA 20 N 1.51 0.34 -0.56 3.60 0.00 -1.42 -2.14 119.26 120.59 2hsd h ALA 20 Ca 0.39 -0.39 0.06 0.00 0.00 0.00 0.00 54.91 54.97 2hsd h ALA 20 Cb 0.55 -0.07 -0.05 0.00 0.00 0.00 0.00 17.79 18.22 2hsd h ALA 20 CO -0.36 0.33 0.28 1.49 0.00 0.00 0.00 179.25 180.98 2hsd h GLU 21 N 0.27 0.51 -0.65 0.00 4.57 -0.59 0.81 114.58 119.51 2hsd h GLU 21 Ca 0.03 -0.03 -0.04 0.00 -1.18 0.00 0.00 59.36 58.14 2hsd h GLU 21 Cb 0.83 -0.12 -0.03 0.00 -0.16 0.00 0.00 28.75 29.27 2hsd h GLU 21 CO 0.06 0.34 0.23 0.00 -1.18 0.00 0.00 179.01 178.46 2hsd h ALA 22 N 1.31 1.17 -0.08 2.92 0.00 -0.76 -0.25 119.26 123.58 2hsd h ALA 22 Ca 0.25 -0.19 -0.00 0.00 0.00 0.00 0.00 54.91 54.97 2hsd h ALA 22 Cb 0.19 -0.26 -0.00 0.00 0.00 0.00 0.00 17.79 17.71 2hsd h ALA 22 CO -0.19 0.59 0.03 0.00 0.00 0.00 0.00 179.25 179.68 2hsd h ALA 23 N 1.30 0.10 -0.32 0.00 0.00 -0.57 0.64 119.26 120.40 2hsd h ALA 23 Ca 0.22 -0.09 0.04 0.00 0.00 0.00 0.00 54.91 55.08 2hsd h ALA 23 Cb 0.23 -0.03 -0.04 0.00 0.00 0.00 0.00 17.79 17.95 2hsd h ALA 23 CO -0.01 -0.32 0.08 -0.09 0.00 0.00 0.00 179.25 178.91 2hsd h ARG 24 N -0.02 0.19 -0.39 0.00 2.43 -0.49 0.85 114.38 116.95 2hsd h ARG 24 Ca 0.03 -0.01 -0.05 0.00 -0.81 0.00 0.00 59.98 59.13 2hsd h ARG 24 Cb 0.15 -0.04 -0.02 0.00 -0.42 0.00 0.00 29.97 29.65 2hsd h ARG 24 CO -0.00 0.13 0.04 1.96 -1.51 0.00 0.00 179.97 180.59 2hsd h GLN 25 N 0.20 0.67 -0.49 0.20 4.20 -0.76 -1.56 115.11 117.56 2hsd h GLN 25 Ca 0.15 -0.19 -0.11 0.00 0.06 0.00 0.00 58.65 58.56 2hsd h GLN 25 Cb 0.15 -0.07 -0.02 0.00 0.30 0.00 0.00 27.48 27.85 2hsd h GLN 25 CO -0.19 0.73 -0.12 0.00 -0.67 0.00 0.00 178.83 178.58 2hsd h ALA 26 N 0.91 0.84 -0.27 3.87 0.00 -0.58 -2.04 119.26 122.00 2hsd h ALA 26 Ca 0.12 -0.35 -0.07 0.00 0.00 0.00 0.00 54.91 54.61 2hsd h ALA 26 Cb 0.40 -0.18 -0.02 0.00 0.00 0.00 0.00 17.79 17.99 2hsd h ALA 26 CO 0.01 0.65 -0.15 0.28 0.00 0.00 0.00 179.25 180.04 2hsd h VAL 27 N 0.83 1.23 0.00 0.00 2.07 -0.77 0.20 116.25 119.82 2hsd h VAL 27 Ca 0.13 -1.06 0.00 0.00 0.82 0.00 0.00 66.70 66.59 2hsd h VAL 27 Cb 0.66 1.20 0.00 0.00 -1.52 0.00 0.00 31.29 31.63 2hsd h VAL 27 CO 0.05 0.34 0.00 0.00 0.02 0.00 0.00 177.57 177.98 2hsd n ALA 28 N -2.48 2.24 0.39 1.67 0.00 -0.59 -2.11 120.51 119.63 2hsd n ALA 28 Ca 0.00 -0.12 0.05 0.00 0.00 0.00 0.00 53.44 53.37 2hsd n ALA 28 Cb 0.34 -1.39 0.03 0.00 0.00 0.00 0.00 19.45 18.42 2hsd n ALA 28 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2hsd n ALA 29 N -1.24 2.57 0.00 0.00 0.00 0.63 -5.00 120.51 117.46 2hsd n ALA 29 Ca 0.12 -0.53 0.00 0.00 0.00 0.00 0.00 53.44 53.04 2hsd n ALA 29 Cb 0.17 -0.31 0.00 0.00 0.00 0.00 0.00 19.45 19.31 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 0.62 0.77 3.86 0.00 0.00 -0.67 -2.11 105.19 107.65 2hsd n GLY 30 Ca 0.05 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.76 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 -2.00 2.91 -0.22 4.61 0.00 -0.76 -4.29 121.76 122.00 2hsd s ALA 31 Ca 0.00 -0.10 -0.04 0.00 0.00 0.00 0.00 51.96 51.81 2hsd s ALA 31 Cb 0.00 -3.09 -0.01 0.00 0.00 0.00 0.00 23.12 20.01 2hsd s ALA 31 CO 0.00 -0.97 -0.02 1.03 0.00 0.00 0.00 175.76 175.80 2hsd s ARG 32 N -5.18 3.44 0.15 0.00 0.52 -0.63 -4.29 118.95 112.96 2hsd s ARG 32 Ca 0.57 -0.59 0.05 0.00 -0.52 0.00 0.00 55.73 55.23 2hsd s ARG 32 Cb -0.12 -3.06 -0.04 0.00 0.52 0.00 0.00 34.95 32.25 2hsd s ARG 32 CO 0.54 -0.18 0.09 0.08 0.02 0.00 0.00 175.30 175.85 2hsd s VAL 33 N 1.47 4.31 -0.19 3.52 1.01 0.34 -1.40 120.40 129.46 2hsd s VAL 33 Ca 0.05 -1.10 0.01 0.00 0.00 0.00 0.00 61.98 60.95 2hsd s VAL 33 Cb -0.14 -3.17 0.04 0.00 0.00 0.00 0.00 36.38 33.11 2hsd s VAL 33 CO -0.02 -0.06 -0.11 -0.69 0.00 0.00 0.00 175.10 174.22 2hsd s VAL 34 N -1.66 1.66 0.16 2.92 1.01 -0.73 -2.03 120.40 121.73 2hsd s VAL 34 Ca 0.30 -0.98 -0.21 0.00 0.00 0.00 0.00 61.98 61.09 2hsd s VAL 34 Cb -0.10 -1.71 -0.08 0.00 0.00 0.00 0.00 36.38 34.49 2hsd s VAL 34 CO 0.22 0.21 0.68 -0.76 0.00 0.00 0.00 175.10 175.45 2hsd s LEU 35 N 1.39 4.46 -0.09 3.92 1.43 -0.21 0.07 118.68 129.66 2hsd s LEU 35 Ca -0.01 1.41 -0.04 0.00 -1.03 0.00 0.00 54.13 54.47 2hsd s LEU 35 Cb -0.16 -3.31 0.04 0.00 0.03 0.00 0.00 46.19 42.80 2hsd s LEU 35 CO -0.09 0.15 0.19 0.00 0.23 0.00 0.00 176.35 176.84 2hsd s ALA 36 N -1.31 -0.40 0.31 4.21 0.00 -0.44 0.79 121.76 124.93 2hsd s ALA 36 Ca 0.37 0.82 -0.19 0.00 0.00 0.00 0.00 51.96 52.96 2hsd s ALA 36 Cb -0.19 -0.57 0.04 0.00 0.00 0.00 0.00 23.12 22.40 2hsd s ALA 36 CO 0.22 -0.21 0.80 0.34 0.00 0.00 0.00 175.76 176.90 2hsd s ASP 37 N 1.32 -0.11 0.13 0.00 -1.08 -1.15 -0.03 116.67 115.75 2hsd s ASP 37 Ca -0.08 -0.85 0.22 0.00 -0.52 0.00 0.00 52.55 51.32 2hsd s ASP 37 Cb -0.11 0.75 -0.07 0.00 -1.46 0.00 0.00 42.92 42.03 2hsd s ASP 37 CO -0.07 -1.44 0.92 1.33 0.52 0.00 0.00 175.17 176.42 2hsd n VAL 38 N -0.51 0.42 -1.50 1.11 0.24 -1.26 -1.91 118.33 114.92 2hsd n VAL 38 Ca -0.06 -0.50 -0.40 0.00 -2.04 0.00 0.00 64.34 61.34 2hsd n VAL 38 Cb 0.60 -0.20 -0.02 0.00 -1.47 0.00 0.00 33.84 32.75 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 -2.49 7.76 0.00 1.34 4.32 -1.26 -4.87 117.00 121.80 2hsd n LEU 39 Ca -0.01 -4.22 0.00 0.00 -0.02 0.00 0.00 56.01 51.76 2hsd n LEU 39 Cb 0.54 -1.59 0.00 0.00 -1.62 0.00 0.00 43.42 40.75 2hsd n LEU 39 CO 0.41 1.57 0.50 0.47 -1.22 0.00 0.00 177.39 179.12 2hsd n ASP 40 N 4.84 0.00 -0.34 -1.43 8.00 -1.26 -0.81 116.55 125.54 2hsd n ASP 40 Ca 0.65 1.00 0.02 0.00 0.71 0.00 0.00 54.79 57.17 2hsd n ASP 40 Cb 0.31 -0.50 0.08 0.00 -0.02 0.00 0.00 41.12 40.99 2hsd n ASP 40 CO 0.00 0.00 0.00 -0.33 -0.39 0.00 0.00 177.20 176.48 2hsd h GLU 41 N 0.00 -0.01 0.26 -1.24 3.07 -2.00 -0.43 114.58 114.22 2hsd h GLU 41 Ca 0.00 0.00 -0.01 0.00 -0.50 0.00 0.00 59.36 58.85 2hsd h GLU 41 Cb 0.00 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 27.92 2hsd h GLU 41 CO 0.00 -0.01 -0.13 0.93 -1.40 0.00 0.00 179.01 178.40 2hsd h GLU 42 N -0.02 -0.34 -0.67 2.33 5.08 -1.85 -2.77 114.58 116.34 2hsd h GLU 42 Ca 0.39 0.02 0.11 0.00 -1.00 0.00 0.00 59.36 58.88 2hsd h GLU 42 Cb 0.64 0.08 -0.12 0.00 0.50 0.00 0.00 28.75 29.85 2hsd h GLU 42 CO -0.95 -0.06 -0.39 0.78 -1.00 0.00 0.00 179.01 177.39 2hsd h GLY 43 N -0.61 -0.25 2.00 -3.84 0.00 0.35 1.01 103.07 101.73 2hsd h GLY 43 Ca -0.04 0.52 -0.01 0.00 0.00 0.00 0.00 47.33 47.80 2hsd h GLY 43 CO 0.06 -0.18 -0.04 0.00 0.00 0.00 0.00 176.54 176.39 2hsd h ALA 44 N 0.89 1.94 -0.24 3.60 0.00 -1.19 0.20 119.26 124.46 2hsd h ALA 44 Ca 0.23 -0.03 -0.12 0.00 0.00 0.00 0.00 54.91 54.99 2hsd h ALA 44 Cb 0.56 -0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.33 2hsd h ALA 44 CO -0.75 0.04 -0.36 0.00 0.00 0.00 0.00 179.25 178.19 2hsd h ALA 45 N 1.96 0.94 -0.20 0.00 0.00 0.12 0.24 119.26 122.32 2hsd h ALA 45 Ca -0.00 -0.41 -0.09 0.00 0.00 0.00 0.00 54.91 54.41 2hsd h ALA 45 Cb 0.06 -0.11 -0.00 0.00 0.00 0.00 0.00 17.79 17.74 2hsd h ALA 45 CO 0.00 0.62 -0.23 1.15 0.00 0.00 0.00 179.25 180.79 2hsd h THR 46 N 0.44 1.33 0.41 0.00 2.02 0.20 -2.37 112.91 114.95 2hsd h THR 46 Ca 0.05 -1.41 -0.02 0.00 0.77 0.00 0.00 66.41 65.79 2hsd h THR 46 Cb 0.83 1.78 0.00 0.00 -1.74 0.00 0.00 68.15 69.02 2hsd h THR 46 CO 0.07 0.43 -0.20 0.00 0.37 0.00 0.00 175.52 176.19 2hsd h ALA 47 N 0.64 -0.56 -0.97 6.16 0.00 -0.72 -1.16 119.26 122.64 2hsd h ALA 47 Ca 0.03 -0.13 0.20 0.00 0.00 0.00 0.00 54.91 55.01 2hsd h ALA 47 Cb 0.79 0.22 -0.09 0.00 0.00 0.00 0.00 17.79 18.71 2hsd h ALA 47 CO 0.06 -0.80 0.62 -0.09 0.00 0.00 0.00 179.25 179.03 2hsd h ARG 48 N -0.58 0.58 0.14 0.00 2.43 -0.52 0.27 114.38 116.71 2hsd h ARG 48 Ca -0.06 -0.04 -0.29 0.00 -0.81 0.00 0.00 59.98 58.78 2hsd h ARG 48 Cb 0.44 -0.13 0.02 0.00 -0.42 0.00 0.00 29.97 29.88 2hsd h ARG 48 CO 0.09 0.39 -1.26 0.93 -1.51 0.00 0.00 179.97 178.61 2hsd h GLU 49 N 0.60 0.50 -0.82 0.20 3.07 -1.29 -3.33 114.58 113.51 2hsd h GLU 49 Ca 0.54 -0.72 0.09 0.00 -0.50 0.00 0.00 59.36 58.76 2hsd h GLU 49 Cb 1.05 0.25 -0.07 0.00 -0.84 0.00 0.00 28.75 29.14 2hsd h GLU 49 CO -0.29 1.32 0.48 -0.07 -1.40 0.00 0.00 179.01 179.05 2hsd h LEU 50 N 0.20 0.69 0.00 1.33 3.38 0.33 -3.49 115.31 117.76 2hsd h LEU 50 Ca -0.18 0.04 0.00 0.00 0.09 0.00 0.00 57.88 57.83 2hsd h LEU 50 Cb 1.94 -0.09 0.00 0.00 0.09 0.00 0.00 40.66 42.60 2hsd h LEU 50 CO 0.23 0.40 0.00 0.61 0.09 0.00 0.00 178.44 179.77 2hsd n GLY 51 N -1.32 0.59 0.06 0.83 0.00 -0.87 -4.75 105.19 99.73 2hsd n GLY 51 Ca 0.13 -2.06 0.13 0.00 0.00 0.00 0.00 46.02 44.22 2hsd n GLY 51 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 2hsd n ASP 52 N 0.00 0.61 -0.04 1.61 8.00 -1.26 -3.19 116.55 122.28 2hsd n ASP 52 Ca 0.00 0.33 0.15 0.00 0.71 0.00 0.00 54.79 55.99 2hsd n ASP 52 Cb 0.00 -0.34 0.80 0.00 -0.02 0.00 0.00 41.12 41.57 2hsd n ASP 52 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 2hsd n ALA 53 N -1.72 2.62 -2.49 2.24 0.00 -1.26 -4.83 120.51 115.06 2hsd n ALA 53 Ca 0.05 -0.20 -0.25 0.00 0.00 0.00 0.00 53.44 53.04 2hsd n ALA 53 Cb 0.41 -1.46 -0.13 0.00 0.00 0.00 0.00 19.45 18.26 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 -2.28 1.85 0.07 0.00 0.00 -1.19 0.13 121.76 120.33 2hsd s ALA 54 Ca 0.37 -1.18 0.03 0.00 0.00 0.00 0.00 51.96 51.18 2hsd s ALA 54 Cb 0.21 -0.31 -0.03 0.00 0.00 0.00 0.00 23.12 22.99 2hsd s ALA 54 CO 0.42 0.40 -0.09 1.03 0.00 0.00 0.00 175.76 177.52 2hsd s ARG 55 N -1.57 0.70 -0.03 0.00 1.81 -0.86 -4.83 118.95 114.16 2hsd s ARG 55 Ca 0.08 -0.99 0.05 0.00 -1.72 0.00 0.00 55.73 53.15 2hsd s ARG 55 Cb -0.09 -0.40 -0.02 0.00 -0.45 0.00 0.00 34.95 33.98 2hsd s ARG 55 CO 0.03 0.06 -0.18 -0.47 -0.68 0.00 0.00 175.30 174.06 2hsd s TYR 56 N -2.04 2.57 -0.01 -0.53 5.04 -1.26 -1.04 117.35 120.08 2hsd s TYR 56 Ca -0.01 -0.25 0.02 0.00 -2.44 0.00 0.00 57.07 54.38 2hsd s TYR 56 Cb -0.05 -1.58 -0.00 0.00 0.35 0.00 0.00 41.96 40.68 2hsd s TYR 56 CO -0.00 0.12 -0.06 -0.65 -1.34 0.00 0.00 175.55 173.61 2hsd s GLN 57 N -0.74 0.58 0.02 4.97 -1.52 0.24 -4.91 119.66 118.29 2hsd s GLN 57 Ca 0.11 -0.22 -0.30 0.00 -1.95 0.00 0.00 55.36 53.00 2hsd s GLN 57 Cb -0.10 -0.57 -0.04 0.00 -0.22 0.00 0.00 33.01 32.08 2hsd s GLN 57 CO 0.00 0.12 1.02 -1.58 -0.25 0.00 0.00 175.29 174.60 2hsd s HIS 58 N -0.03 3.63 -0.20 0.91 5.65 -1.26 -2.94 115.29 121.05 2hsd s HIS 58 Ca 0.01 1.64 -0.06 0.00 0.25 0.00 0.00 55.06 56.89 2hsd s HIS 58 Cb -0.04 -3.17 0.09 0.00 -1.18 0.00 0.00 32.58 28.28 2hsd s HIS 58 CO -0.00 -0.22 0.40 -1.17 -0.65 0.00 0.00 174.74 173.10 2hsd s LEU 59 N 0.92 -0.62 -0.61 8.88 0.20 -0.80 -4.88 118.68 121.77 2hsd s LEU 59 Ca 0.53 0.91 -0.18 0.00 0.69 0.00 0.00 54.13 56.07 2hsd s LEU 59 Cb -0.23 1.28 0.11 0.00 -0.43 0.00 0.00 46.19 46.93 2hsd s LEU 59 CO 0.28 -0.24 0.70 -0.62 -0.29 0.00 0.00 176.35 176.18 2hsd s ASP 60 N 2.59 6.23 0.60 3.68 2.15 -1.26 -4.05 116.67 126.62 2hsd s ASP 60 Ca -0.00 -1.58 0.06 0.00 0.43 0.00 0.00 52.55 51.46 2hsd s ASP 60 Cb -0.12 -2.29 0.21 0.00 -0.30 0.00 0.00 42.92 40.42 2hsd s ASP 60 CO -0.13 -1.05 1.00 0.52 -0.17 0.00 0.00 175.17 175.35 2hsd n VAL 61 N 5.42 0.00 1.07 1.11 0.31 -1.26 0.13 118.33 125.11 2hsd n VAL 61 Ca -0.08 0.99 0.12 0.00 -0.01 0.00 0.00 64.34 65.36 2hsd n VAL 61 Cb 0.43 -1.93 0.13 0.00 -0.91 0.00 0.00 33.84 31.56 2hsd n VAL 61 CO 0.00 0.00 0.00 0.35 -1.32 0.00 0.00 176.83 175.86 2hsd n THR 62 N -2.55 0.00 -3.54 2.52 -2.24 -1.26 -4.44 114.28 102.76 2hsd n THR 62 Ca 0.05 -0.12 -0.41 0.00 -2.27 0.00 0.00 64.05 61.30 2hsd n THR 62 Cb 1.06 0.78 -0.10 0.00 -2.10 0.00 0.00 70.33 69.96 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 -2.69 4.79 0.44 2.28 1.01 0.12 -4.96 121.20 122.19 2hsd s ILE 63 Ca 0.17 -0.87 0.22 0.00 0.00 0.00 0.00 60.65 60.17 2hsd s ILE 63 Cb 0.18 -3.71 0.41 0.00 0.01 0.00 0.00 42.46 39.36 2hsd s ILE 63 CO 0.64 -0.31 1.83 -0.08 0.00 0.00 0.00 174.94 177.03 2hsd h GLU 64 N 8.51 0.30 -0.32 2.79 4.81 -1.87 -1.07 114.58 127.74 2hsd h GLU 64 Ca -0.26 -0.02 -0.17 0.00 -0.13 0.00 0.00 59.36 58.79 2hsd h GLU 64 Cb 1.11 -0.07 -0.00 0.00 0.63 0.00 0.00 28.75 30.42 2hsd h GLU 64 CO 0.71 0.20 -0.46 0.93 -0.73 0.00 0.00 179.01 179.66 2hsd h GLU 65 N 0.31 0.85 -0.79 1.92 3.07 -1.94 -1.28 114.58 116.72 2hsd h GLU 65 Ca 0.51 -0.48 -0.01 0.00 -0.50 0.00 0.00 59.36 58.88 2hsd h GLU 65 Cb 1.46 0.03 -0.04 0.00 -0.84 0.00 0.00 28.75 29.36 2hsd h GLU 65 CO -0.18 1.12 0.46 -0.44 -1.40 0.00 0.00 179.01 178.58 2hsd h ASP 66 N 0.68 0.96 0.39 1.42 5.19 -1.51 -0.68 116.42 122.87 2hsd h ASP 66 Ca 0.04 -0.07 -0.02 0.00 -0.62 0.00 0.00 57.03 56.36 2hsd h ASP 66 Cb 1.05 -0.24 0.00 0.00 0.18 0.00 0.00 39.33 40.32 2hsd h ASP 66 CO 0.10 0.75 -0.19 -0.50 -3.12 0.00 0.00 179.24 176.29 2hsd h TRP 67 N 1.08 -0.48 -0.98 4.55 4.06 -1.34 0.33 115.95 123.17 2hsd h TRP 67 Ca 0.28 -0.01 0.14 0.00 2.06 0.00 0.00 58.89 61.35 2hsd h TRP 67 Cb -0.02 0.16 -0.08 0.00 -1.00 0.00 0.00 29.16 28.22 2hsd h TRP 67 CO -0.00 -0.29 0.62 1.96 -3.56 0.00 0.00 178.44 177.17 2hsd h GLN 68 N -0.54 0.87 -0.06 0.49 4.20 -0.93 0.28 115.11 119.42 2hsd h GLN 68 Ca -0.05 -0.05 -0.16 0.00 0.06 0.00 0.00 58.65 58.44 2hsd h GLN 68 Cb 0.41 -0.20 0.01 0.00 0.30 0.00 0.00 27.48 28.01 2hsd h GLN 68 CO 0.09 0.58 -0.60 -0.09 -0.67 0.00 0.00 178.83 178.14 2hsd h ARG 69 N 0.90 0.52 -0.22 1.46 2.43 -0.80 -2.34 114.38 116.33 2hsd h ARG 69 Ca 0.50 -0.47 -0.17 0.00 -0.81 0.00 0.00 59.98 59.03 2hsd h ARG 69 Cb 0.60 0.11 -0.00 0.00 -0.42 0.00 0.00 29.97 30.26 2hsd h ARG 69 CO -0.27 1.10 -0.54 0.28 -1.51 0.00 0.00 179.97 179.04 2hsd h VAL 70 N 0.09 1.31 -0.39 0.20 2.07 -0.34 -0.10 116.25 119.09 2hsd h VAL 70 Ca -0.06 -1.77 -0.12 0.00 0.82 0.00 0.00 66.70 65.58 2hsd h VAL 70 Cb 1.26 1.72 -0.01 0.00 -1.52 0.00 0.00 31.29 32.74 2hsd h VAL 70 CO 0.12 0.56 -0.23 0.58 0.02 0.00 0.00 177.57 178.62 2hsd h VAL 71 N 0.49 1.27 -0.36 2.57 2.07 -0.53 -2.27 116.25 119.49 2hsd h VAL 71 Ca 0.01 -1.35 -0.07 0.00 0.82 0.00 0.00 66.70 66.11 2hsd h VAL 71 Cb 1.10 1.22 -0.01 0.00 -1.52 0.00 0.00 31.29 32.07 2hsd h VAL 71 CO 0.11 0.45 -0.05 0.00 0.02 0.00 0.00 177.57 178.10 2hsd h ALA 72 N 1.06 0.50 -0.87 1.67 0.00 -1.30 -2.81 119.26 117.50 2hsd h ALA 72 Ca 0.09 -0.28 0.08 0.00 0.00 0.00 0.00 54.91 54.81 2hsd h ALA 72 Cb 0.75 -0.13 -0.06 0.00 0.00 0.00 0.00 17.79 18.34 2hsd h ALA 72 CO 0.06 0.31 0.56 -0.92 0.00 0.00 0.00 179.25 179.26 2hsd h TYR 73 N 0.48 0.95 0.22 0.00 3.20 -0.73 -1.89 116.97 119.20 2hsd h TYR 73 Ca 0.10 0.03 -0.01 0.00 3.14 0.00 0.00 58.73 61.98 2hsd h TYR 73 Cb 0.54 -0.31 0.00 0.00 1.54 0.00 0.00 36.73 38.50 2hsd h TYR 73 CO 0.04 0.46 -0.11 0.00 -1.64 0.00 0.00 178.16 176.92 2hsd h ALA 74 N 1.55 -0.30 -0.92 1.82 0.00 -1.17 -0.04 119.26 120.20 2hsd h ALA 74 Ca 0.39 -0.15 0.14 0.00 0.00 0.00 0.00 54.91 55.29 2hsd h ALA 74 Cb 0.33 0.12 -0.09 0.00 0.00 0.00 0.00 17.79 18.15 2hsd h ALA 74 CO -0.16 -0.55 0.53 0.00 0.00 0.00 0.00 179.25 179.07 2hsd h ARG 75 N -0.53 0.75 0.24 0.00 3.08 -1.26 0.49 114.38 117.15 2hsd h ARG 75 Ca -0.03 -0.05 -0.01 0.00 0.07 0.00 0.00 59.98 59.96 2hsd h ARG 75 Cb 0.39 -0.17 0.00 0.00 0.08 0.00 0.00 29.97 30.28 2hsd h ARG 75 CO 0.05 0.50 -0.11 0.93 -1.07 0.00 0.00 179.97 180.27 2hsd h GLU 76 N 0.78 -0.31 0.00 0.04 3.07 -1.32 -1.82 114.58 115.02 2hsd h GLU 76 Ca 0.49 0.02 0.00 0.00 -0.50 0.00 0.00 59.36 59.37 2hsd h GLU 76 Cb 0.62 0.07 0.00 0.00 -0.84 0.00 0.00 28.75 28.60 2hsd h GLU 76 CO -0.32 -0.20 0.00 1.49 -1.40 0.00 0.00 179.01 178.57 2hsd h GLU 77 N -0.63 0.00 0.00 2.33 4.57 -0.81 -3.27 114.58 116.77 2hsd h GLU 77 Ca -0.03 0.00 0.00 0.00 -1.18 0.00 0.00 59.36 58.15 2hsd h GLU 77 Cb 0.24 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 28.83 2hsd h GLU 77 CO 0.05 0.00 -0.27 1.19 -1.18 0.00 0.00 179.01 178.80 2hsd n PHE 78 N -2.82 0.00 0.00 0.92 3.72 0.17 -5.03 117.46 114.42 2hsd n PHE 78 Ca -0.02 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.38 2hsd n PHE 78 Cb 0.09 0.00 0.00 0.00 -0.94 0.00 0.00 39.48 38.63 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 0.79 3.12 3.82 1.37 0.00 -0.68 -5.01 105.19 108.61 2hsd n GLY 79 Ca 0.00 0.00 -0.04 0.00 0.00 0.00 0.00 46.02 45.98 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 -0.92 -0.08 -0.22 1.61 1.04 -1.25 -4.86 113.70 109.01 2hsd s SER 80 Ca 0.00 -0.61 -0.02 0.00 0.48 0.00 0.00 55.95 55.81 2hsd s SER 80 Cb 0.00 0.54 0.07 0.00 0.10 0.00 0.00 66.02 66.72 2hsd s SER 80 CO 0.00 -1.03 0.03 -0.69 0.98 0.00 0.00 173.24 172.52 2hsd s VAL 81 N -2.69 0.82 -0.04 5.02 1.01 -1.26 -4.26 120.40 118.99 2hsd s VAL 81 Ca 0.17 -0.86 0.12 0.00 0.00 0.00 0.00 61.98 61.41 2hsd s VAL 81 Cb -0.02 -1.32 -0.19 0.00 0.00 0.00 0.00 36.38 34.85 2hsd s VAL 81 CO 0.05 -0.27 0.23 0.47 0.00 0.00 0.00 175.10 175.58 2hsd n ASP 82 N 4.93 2.09 -3.83 3.32 9.92 -0.17 -4.08 116.55 128.72 2hsd n ASP 82 Ca -0.08 0.00 -0.12 0.00 -0.53 0.00 0.00 54.79 54.06 2hsd n ASP 82 Cb 0.45 1.42 -0.10 0.00 -0.64 0.00 0.00 41.12 42.25 2hsd n ASP 82 CO 0.00 0.00 0.00 -0.83 0.13 0.00 0.00 177.20 176.50 2hsd s GLY 83 N -3.68 -0.05 -0.05 0.44 0.00 -0.99 -0.48 107.32 102.52 2hsd s GLY 83 Ca -0.05 0.15 0.02 0.00 0.00 0.00 0.00 44.72 44.84 2hsd s GLY 83 CO 0.52 0.02 -0.08 -2.27 0.00 0.00 0.00 173.10 171.29 2hsd s LEU 84 N -0.93 1.51 -0.28 0.66 2.96 -0.31 -0.60 118.68 121.69 2hsd s LEU 84 Ca -0.10 -0.19 0.02 0.00 -0.22 0.00 0.00 54.13 53.64 2hsd s LEU 84 Cb -0.05 -0.58 0.07 0.00 0.50 0.00 0.00 46.19 46.13 2hsd s LEU 84 CO 0.02 -0.01 -0.03 -0.69 -1.32 0.00 0.00 176.35 174.32 2hsd s VAL 85 N 0.72 1.89 -0.72 1.68 1.01 -0.35 -0.43 120.40 124.19 2hsd s VAL 85 Ca -0.12 -1.67 -0.21 0.00 0.00 0.00 0.00 61.98 59.98 2hsd s VAL 85 Cb -0.14 -2.18 0.09 0.00 0.00 0.00 0.00 36.38 34.15 2hsd s VAL 85 CO 0.01 -0.26 0.97 0.20 0.00 0.00 0.00 175.10 176.03 2hsd s ASN 86 N 1.18 6.29 -0.10 3.32 0.01 -0.66 -1.46 114.94 123.53 2hsd s ASN 86 Ca -0.01 -1.33 -0.01 0.00 -0.71 0.00 0.00 52.86 50.80 2hsd s ASN 86 Cb -0.19 -2.40 -0.06 0.00 0.41 0.00 0.00 41.25 39.01 2hsd s ASN 86 CO -0.08 -1.30 -0.11 -3.20 -1.51 0.00 0.00 177.10 170.91 2hsd n ASN 87 N 7.22 2.49 -4.51 -1.22 2.85 -1.05 -1.62 115.26 119.42 2hsd n ASN 87 Ca 0.03 0.00 -0.54 0.00 -0.11 0.00 0.00 54.58 53.95 2hsd n ASN 87 Cb 0.46 -0.21 -0.06 0.00 1.24 0.00 0.00 39.78 41.21 2hsd n ASN 87 CO 0.00 0.00 0.00 0.00 -2.11 0.00 0.00 177.26 175.15 2hsd n ALA 88 N -3.00 -2.62 -3.61 5.20 0.00 -0.98 -4.89 120.51 110.61 2hsd n ALA 88 Ca -0.19 0.54 -0.00 0.00 0.00 0.00 0.00 53.44 53.78 2hsd n ALA 88 Cb 0.68 -1.83 -0.01 0.00 0.00 0.00 0.00 19.45 18.29 2hsd n ALA 88 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.50 177.70 2hsd s GLY 89 N -0.09 -0.37 0.08 0.00 0.00 -1.26 -4.64 107.32 101.04 2hsd s GLY 89 Ca 0.83 1.09 0.08 0.00 0.00 0.00 0.00 44.72 46.72 2hsd s GLY 89 CO 0.54 0.29 -0.22 -0.26 0.00 0.00 0.00 173.10 173.46 2hsd s ILE 90 N -2.35 1.80 0.59 0.90 -4.36 -1.26 -5.02 121.20 111.50 2hsd s ILE 90 Ca 0.13 -1.44 0.10 0.00 -0.26 0.00 0.00 60.65 59.17 2hsd s ILE 90 Cb 0.03 -1.60 0.10 0.00 1.25 0.00 0.00 42.46 42.24 2hsd s ILE 90 CO -0.04 0.08 0.80 -0.55 0.24 0.00 0.00 174.94 175.47 2hsd s SER 91 N -1.63 5.00 -0.04 4.36 0.15 -1.26 -4.87 113.70 115.41 2hsd s SER 91 Ca 0.08 -0.93 -0.02 0.00 0.70 0.00 0.00 55.95 55.78 2hsd s SER 91 Cb -0.10 0.44 0.02 0.00 -1.71 0.00 0.00 66.02 64.68 2hsd s SER 91 CO 0.03 -1.41 0.10 -0.89 1.20 0.00 0.00 173.24 172.27 2hsd s THR 92 N -2.72 -0.03 -0.42 6.45 2.01 -1.26 -4.91 115.64 114.76 2hsd s THR 92 Ca 0.61 0.10 0.07 0.00 0.31 0.00 0.00 61.69 62.79 2hsd s THR 92 Cb -0.05 -0.16 0.24 0.00 0.01 0.00 0.00 72.50 72.55 2hsd s THR 92 CO 0.39 0.04 0.53 0.61 -0.69 0.00 0.00 174.62 175.50 2hsd n GLY 93 N 3.66 2.99 3.57 4.40 0.00 -1.21 -4.31 105.19 114.30 2hsd n GLY 93 Ca -0.20 -1.67 -0.06 0.00 0.00 0.00 0.00 46.02 44.09 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 -1.20 0.80 0.62 1.61 0.23 0.92 -5.01 119.30 117.27 2hsd s MET 94 Ca 0.35 -0.34 -0.16 0.00 -1.03 0.00 0.00 55.69 54.51 2hsd s MET 94 Cb 0.16 0.34 -0.02 0.00 -1.53 0.00 0.00 34.83 33.77 2hsd s MET 94 CO -0.11 -0.35 1.09 -0.06 -2.03 0.00 0.00 175.02 173.56 2hsd s PHE 95 N -3.01 2.77 0.11 3.16 0.08 -1.26 -3.92 117.98 115.90 2hsd s PHE 95 Ca 0.08 1.54 -0.33 0.00 0.12 0.00 0.00 56.93 58.33 2hsd s PHE 95 Cb -0.01 -3.12 -0.12 0.00 -0.57 0.00 0.00 43.02 39.21 2hsd s PHE 95 CO -0.06 -1.45 1.57 1.25 -0.10 0.00 0.00 175.22 176.43 2hsd h LEU 96 N 0.29 -1.43 -2.02 -0.37 6.46 -1.96 -2.05 115.31 114.24 2hsd h LEU 96 Ca -0.47 0.16 0.08 0.00 -0.12 0.00 0.00 57.88 57.53 2hsd h LEU 96 Cb 1.24 0.54 -0.01 0.00 -0.73 0.00 0.00 40.66 41.69 2hsd h LEU 96 CO 0.56 -0.52 0.21 1.05 -0.62 0.00 0.00 178.44 179.12 2hsd h GLU 97 N -0.69 0.00 -0.36 1.25 4.11 -2.04 -1.78 114.58 115.07 2hsd h GLU 97 Ca 0.01 0.00 -0.16 0.00 0.07 0.00 0.00 59.36 59.28 2hsd h GLU 97 Cb 0.72 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.97 2hsd h GLU 97 CO -0.28 0.00 -0.42 1.15 0.07 0.00 0.00 179.01 179.52 2hsd h THR 98 N 0.00 1.27 -2.91 -1.06 2.02 -1.77 -3.45 112.91 107.01 2hsd h THR 98 Ca 0.14 -1.60 -0.53 0.00 0.77 0.00 0.00 66.41 65.19 2hsd h THR 98 Cb 0.56 1.44 0.03 0.00 -1.74 0.00 0.00 68.15 68.43 2hsd h THR 98 CO -0.00 0.53 0.80 -0.70 0.37 0.00 0.00 175.52 176.52 2hsd s GLU 99 N -4.33 4.28 0.39 6.66 2.12 -0.67 -4.98 118.70 122.17 2hsd s GLU 99 Ca -0.11 2.16 -0.26 0.00 0.36 0.00 0.00 54.97 57.12 2hsd s GLU 99 Cb 0.11 -3.29 -0.09 0.00 0.26 0.00 0.00 34.13 31.12 2hsd s GLU 99 CO 0.88 -0.52 1.21 -1.54 -0.54 0.00 0.00 175.26 174.75 2hsd s SER 100 N 1.33 6.53 0.46 -1.70 1.04 -1.26 -4.86 113.70 115.23 2hsd s SER 100 Ca 0.67 2.46 0.17 0.00 0.48 0.00 0.00 55.95 59.72 2hsd s SER 100 Cb -0.38 -2.62 1.09 0.00 0.10 0.00 0.00 66.02 64.20 2hsd s SER 100 CO 0.30 -0.68 2.01 -0.37 0.98 0.00 0.00 173.24 175.48 2hsd h VAL 101 N 2.47 1.02 0.01 5.02 -1.51 -1.97 0.11 116.25 121.40 2hsd h VAL 101 Ca -0.49 -0.62 -0.00 0.00 -1.23 0.00 0.00 66.70 64.36 2hsd h VAL 101 Cb 1.24 1.35 0.00 0.00 -2.13 0.00 0.00 31.29 31.74 2hsd h VAL 101 CO 0.63 0.17 -0.01 -0.33 -1.23 0.00 0.00 177.57 176.80 2hsd h GLU 102 N 0.00 -0.02 -0.13 5.19 3.07 -1.99 -0.41 114.58 120.29 2hsd h GLU 102 Ca -0.00 0.00 -0.09 0.00 -0.50 0.00 0.00 59.36 58.77 2hsd h GLU 102 Cb 0.33 0.00 -0.01 0.00 -0.84 0.00 0.00 28.75 28.23 2hsd h GLU 102 CO 0.02 0.22 -0.31 -0.09 -1.40 0.00 0.00 179.01 177.45 2hsd h ARG 103 N -0.26 0.24 0.14 2.33 2.43 -1.74 -1.01 114.38 116.51 2hsd h ARG 103 Ca -0.00 -0.09 0.00 0.00 -0.81 0.00 0.00 59.98 59.08 2hsd h ARG 103 Cb 0.25 -0.01 -0.01 0.00 -0.42 0.00 0.00 29.97 29.77 2hsd h ARG 103 CO 0.00 0.54 -0.13 0.35 -1.51 0.00 0.00 179.97 179.22 2hsd h PHE 104 N 0.21 -0.34 -0.93 2.20 3.04 -0.46 -0.00 116.94 120.67 2hsd h PHE 104 Ca 0.03 0.00 0.05 0.00 3.98 0.00 0.00 57.97 62.03 2hsd h PHE 104 Cb 0.67 0.13 -0.06 0.00 2.56 0.00 0.00 35.95 39.25 2hsd h PHE 104 CO 0.01 -0.20 0.61 0.00 -2.02 0.00 0.00 178.31 176.71 2hsd h ARG 105 N -0.29 1.09 0.78 1.11 3.08 -0.59 -1.08 114.38 118.48 2hsd h ARG 105 Ca 0.00 -0.07 -0.04 0.00 0.07 0.00 0.00 59.98 59.95 2hsd h ARG 105 Cb 0.27 -0.24 0.01 0.00 0.08 0.00 0.00 29.97 30.09 2hsd h ARG 105 CO -0.03 0.72 -0.38 -0.22 -1.07 0.00 0.00 179.97 178.99 2hsd h LYS 106 N 1.12 -1.01 -0.77 0.04 3.11 -0.47 -2.47 116.57 116.12 2hsd h LYS 106 Ca 0.38 0.07 0.16 0.00 -2.81 0.00 0.00 60.65 58.45 2hsd h LYS 106 Cb 0.10 0.23 -0.10 0.00 -1.00 0.00 0.00 32.23 31.45 2hsd h LYS 106 CO -0.13 -0.67 0.27 0.28 -2.81 0.00 0.00 179.45 176.39 2hsd h VAL 107 N -1.22 0.59 0.00 2.00 2.07 -0.83 -0.06 116.25 118.79 2hsd h VAL 107 Ca -0.11 -0.13 -0.03 0.00 0.82 0.00 0.00 66.70 67.25 2hsd h VAL 107 Cb 0.81 0.17 -0.00 0.00 -1.52 0.00 0.00 31.29 30.74 2hsd h VAL 107 CO 0.18 0.07 -0.13 0.58 0.02 0.00 0.00 177.57 178.28 2hsd h VAL 108 N 0.38 0.77 -0.48 2.57 2.07 -1.16 -1.79 116.25 118.62 2hsd h VAL 108 Ca 0.43 -0.52 -0.05 0.00 0.82 0.00 0.00 66.70 67.39 2hsd h VAL 108 Cb 0.71 1.31 -0.02 0.00 -1.52 0.00 0.00 31.29 31.77 2hsd h VAL 108 CO -0.45 0.13 0.10 -0.33 0.02 0.00 0.00 177.57 177.04 2hsd h GLU 109 N 0.00 0.77 0.11 1.57 4.39 -0.51 -0.73 114.58 120.18 2hsd h GLU 109 Ca -0.00 -0.19 -0.01 0.00 0.34 0.00 0.00 59.36 59.50 2hsd h GLU 109 Cb 0.30 -0.10 0.00 0.00 -0.10 0.00 0.00 28.75 28.85 2hsd h GLU 109 CO 0.02 0.76 -0.05 0.82 -1.16 0.00 0.00 179.01 179.40 2hsd h ILE 110 N 0.65 0.00 -0.76 3.13 1.08 -1.45 -0.41 117.51 119.76 2hsd h ILE 110 Ca 0.15 -0.85 -0.00 0.00 -0.39 0.00 0.00 64.86 63.77 2hsd h ILE 110 Cb 0.35 0.00 -0.04 0.00 -3.07 0.00 0.00 36.82 34.06 2hsd h ILE 110 CO 0.00 0.00 0.46 0.78 -0.69 0.00 0.00 178.15 178.71 2hsd h ASN 111 N -0.99 0.90 0.00 1.72 4.21 -1.42 -3.14 115.58 116.86 2hsd h ASN 111 Ca -0.01 -0.05 0.00 0.00 1.21 0.00 0.00 56.30 57.45 2hsd h ASN 111 Cb 0.11 -0.23 0.00 0.00 -1.12 0.00 0.00 38.32 37.09 2hsd h ASN 111 CO 0.02 0.69 -0.14 -0.11 -1.29 0.00 0.00 177.43 176.60 2hsd n LEU 112 N -4.39 0.38 0.27 1.61 7.94 -0.30 -4.41 117.00 118.10 2hsd n LEU 112 Ca 0.08 0.06 0.18 0.00 -1.11 0.00 0.00 56.01 55.21 2hsd n LEU 112 Cb 0.06 -0.36 0.93 0.00 0.53 0.00 0.00 43.42 44.58 2hsd n LEU 112 CO 0.37 -0.49 1.15 0.74 -1.11 0.00 0.00 177.39 178.05 2hsd h THR 113 N -0.14 0.35 -0.17 1.96 2.02 -1.54 -1.71 112.91 113.69 2hsd h THR 113 Ca 0.00 0.00 -0.09 0.00 0.77 0.00 0.00 66.41 67.09 2hsd h THR 113 Cb 0.14 0.90 -0.00 0.00 -1.74 0.00 0.00 68.15 67.45 2hsd h THR 113 CO 0.00 0.00 -0.23 1.23 0.37 0.00 0.00 175.52 176.89 2hsd h GLY 114 N 0.00 0.49 1.99 2.16 0.00 -1.01 -2.15 103.07 104.56 2hsd h GLY 114 Ca 0.04 -0.54 -0.07 0.00 0.00 0.00 0.00 47.33 46.76 2hsd h GLY 114 CO -0.00 0.49 -0.33 -0.39 0.00 0.00 0.00 176.54 176.30 2hsd h VAL 115 N 0.09 1.24 -0.31 4.60 -1.51 -1.45 -2.04 116.25 116.87 2hsd h VAL 115 Ca 0.02 -1.15 -0.06 0.00 -1.23 0.00 0.00 66.70 64.29 2hsd h VAL 115 Cb 0.80 1.61 -0.01 0.00 -2.13 0.00 0.00 31.29 31.56 2hsd h VAL 115 CO 0.05 0.33 -0.03 0.15 -1.23 0.00 0.00 177.57 176.84 2hsd h PHE 116 N 0.01 0.62 -0.73 5.19 3.57 -1.39 0.13 116.94 124.33 2hsd h PHE 116 Ca -0.00 -0.12 -0.04 0.00 3.53 0.00 0.00 57.97 61.34 2hsd h PHE 116 Cb 0.59 -0.16 -0.03 0.00 2.79 0.00 0.00 35.95 39.14 2hsd h PHE 116 CO 0.00 0.72 0.30 0.82 -2.23 0.00 0.00 178.31 177.91 2hsd h ILE 117 N 0.35 1.25 -0.30 1.41 2.04 -1.12 -1.65 117.51 119.49 2hsd h ILE 117 Ca 0.08 -0.77 0.00 0.00 1.00 0.00 0.00 64.86 65.18 2hsd h ILE 117 Cb 0.49 0.37 -0.01 0.00 -0.74 0.00 0.00 36.82 36.92 2hsd h ILE 117 CO 0.02 0.31 0.19 1.23 0.00 0.00 0.00 178.15 179.91 2hsd h GLY 118 N 1.11 0.42 0.15 5.37 0.00 -1.05 -1.68 103.07 107.38 2hsd h GLY 118 Ca 0.25 -0.16 -0.01 0.00 0.00 0.00 0.00 47.33 47.41 2hsd h GLY 118 CO -0.02 0.16 -0.07 -0.33 0.00 0.00 0.00 176.54 176.27 2hsd h MET 119 N 0.40 -0.19 -1.12 4.80 2.86 -0.53 -0.82 114.93 120.33 2hsd h MET 119 Ca 0.11 0.01 0.31 0.00 -2.06 0.00 0.00 59.70 58.07 2hsd h MET 119 Cb -0.03 0.04 -0.07 0.00 0.06 0.00 0.00 31.60 31.60 2hsd h MET 119 CO -0.02 -0.13 0.77 1.57 1.06 0.00 0.00 176.91 180.16 2hsd h LYS 120 N -0.20 0.17 -0.07 1.72 2.10 -1.39 0.16 116.57 119.06 2hsd h LYS 120 Ca -0.02 -0.01 -0.16 0.00 -2.00 0.00 0.00 60.65 58.46 2hsd h LYS 120 Cb 0.15 -0.04 0.01 0.00 -0.90 0.00 0.00 32.23 31.45 2hsd h LYS 120 CO 0.03 0.11 -0.59 1.15 -2.00 0.00 0.00 179.45 178.16 2hsd h THR 121 N 0.17 1.37 0.00 0.07 2.02 -1.17 -3.34 112.91 112.03 2hsd h THR 121 Ca 0.59 -1.93 -0.14 0.00 0.77 0.00 0.00 66.41 65.70 2hsd h THR 121 Cb 1.93 2.29 -0.02 0.00 -1.74 0.00 0.00 68.15 70.62 2hsd h THR 121 CO -0.15 0.58 -0.65 1.62 0.37 0.00 0.00 175.52 177.29 2hsd h VAL 122 N 0.12 1.14 -0.59 3.16 3.04 0.31 -3.36 116.25 120.06 2hsd h VAL 122 Ca -0.05 -2.53 0.11 0.00 -1.01 0.00 0.00 66.70 63.22 2hsd h VAL 122 Cb 1.25 2.51 -0.11 0.00 -2.01 0.00 0.00 31.29 32.93 2hsd h VAL 122 CO 0.12 0.63 -0.23 0.40 -1.01 0.00 0.00 177.57 177.48 2hsd h ILE 123 N 0.00 0.29 -0.75 3.17 2.04 -1.15 -0.79 117.51 120.32 2hsd h ILE 123 Ca -0.01 0.00 -0.01 0.00 1.00 0.00 0.00 64.86 65.85 2hsd h ILE 123 Cb 1.46 0.29 -0.04 0.00 -0.74 0.00 0.00 36.82 37.79 2hsd h ILE 123 CO 0.08 0.00 0.44 -0.65 0.00 0.00 0.00 178.15 178.03 2hsd h PRO 124 N -0.09 1.03 -0.97 2.37 0.11 -1.76 -0.22 132.00 132.47 2hsd h PRO 124 Ca 0.27 -0.10 0.05 0.00 0.11 0.00 0.00 66.00 66.32 2hsd h PRO 124 Cb 0.50 -0.21 -0.06 0.00 0.11 0.00 0.00 31.00 31.34 2hsd h PRO 124 CO -0.64 0.74 0.63 0.00 -0.21 0.00 0.00 178.00 178.51 2hsd h ALA 125 N 1.23 1.30 -0.19 -0.75 0.00 -1.41 -0.25 119.26 119.20 2hsd h ALA 125 Ca 0.27 -0.04 -0.19 0.00 0.00 0.00 0.00 54.91 54.95 2hsd h ALA 125 Cb -0.01 -0.32 0.00 0.00 0.00 0.00 0.00 17.79 17.45 2hsd h ALA 125 CO -0.05 0.47 -0.64 0.52 0.00 0.00 0.00 179.25 179.55 2hsd h MET 126 N 1.19 0.69 -0.86 0.00 2.86 -0.86 -2.42 114.93 115.54 2hsd h MET 126 Ca 0.40 -0.49 0.02 0.00 -2.06 0.00 0.00 59.70 57.57 2hsd h MET 126 Cb 0.06 0.08 -0.05 0.00 0.06 0.00 0.00 31.60 31.76 2hsd h MET 126 CO -0.14 1.11 0.57 0.87 1.06 0.00 0.00 176.91 180.38 2hsd h LYS 127 N 0.51 1.08 -0.14 1.72 1.57 -0.40 0.59 116.57 121.50 2hsd h LYS 127 Ca -0.01 -0.06 -0.01 0.00 -1.87 0.00 0.00 60.65 58.70 2hsd h LYS 127 Cb 1.23 -0.24 -0.01 0.00 0.08 0.00 0.00 32.23 33.29 2hsd h LYS 127 CO 0.13 0.71 0.05 0.22 -0.57 0.00 0.00 179.45 180.00 2hsd h ASP 128 N 1.11 0.16 -0.66 0.86 3.58 -0.90 -2.17 116.42 118.41 2hsd h ASP 128 Ca 0.33 -0.01 0.00 0.00 0.42 0.00 0.00 57.03 57.77 2hsd h ASP 128 Cb -0.05 -0.04 0.00 0.00 1.72 0.00 0.00 39.33 40.96 2hsd h ASP 128 CO -0.09 0.15 0.00 0.00 -2.88 0.00 0.00 179.24 176.43 2hsd n ALA 129 N -2.51 2.67 -3.10 -0.78 0.00 0.11 -4.98 120.51 111.91 2hsd n ALA 129 Ca -0.01 -1.44 -0.16 0.00 0.00 0.00 0.00 53.44 51.83 2hsd n ALA 129 Cb 0.11 -0.91 0.05 0.00 0.00 0.00 0.00 19.45 18.69 2hsd n ALA 129 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2hsd n GLY 130 N 1.29 -0.12 0.00 0.00 0.00 -0.64 -4.87 105.19 100.84 2hsd n GLY 130 Ca 0.24 -0.06 0.00 0.00 0.00 0.00 0.00 46.02 46.20 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 -1.47 2.90 3.88 -0.02 0.00 -0.81 -4.84 105.19 104.83 2hsd n GLY 131 Ca -0.02 -2.02 0.04 0.00 0.00 0.00 0.00 46.02 44.01 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 -0.28 -0.09 -0.02 0.00 -0.78 -4.71 107.32 101.43 2hsd s GLY 132 Ca 0.00 0.36 0.00 0.00 0.00 0.00 0.00 44.72 45.08 2hsd s GLY 132 CO 0.00 4.58 -0.08 -0.45 0.00 0.00 0.00 173.10 177.15 2hsd s SER 133 N -3.64 1.96 -0.29 1.64 0.15 0.37 -0.60 113.70 113.28 2hsd s SER 133 Ca 0.26 -0.27 -0.05 0.00 0.70 0.00 0.00 55.95 56.60 2hsd s SER 133 Cb 0.02 -0.78 0.02 0.00 -1.71 0.00 0.00 66.02 63.58 2hsd s SER 133 CO -0.03 -0.09 0.03 -0.63 1.20 0.00 0.00 173.24 173.72 2hsd s ILE 134 N 1.45 3.48 -0.40 6.45 1.01 0.55 -1.16 121.20 132.58 2hsd s ILE 134 Ca -0.00 -0.96 -0.09 0.00 0.00 0.00 0.00 60.65 59.60 2hsd s ILE 134 Cb -0.13 -2.85 0.07 0.00 0.01 0.00 0.00 42.46 39.56 2hsd s ILE 134 CO -0.05 0.04 0.23 -0.69 0.00 0.00 0.00 174.94 174.48 2hsd s VAL 135 N 1.40 4.17 -0.55 2.92 1.01 0.42 -1.37 120.40 128.41 2hsd s VAL 135 Ca 0.00 -1.34 -0.22 0.00 0.00 0.00 0.00 61.98 60.42 2hsd s VAL 135 Cb -0.18 -3.52 0.05 0.00 0.00 0.00 0.00 36.38 32.73 2hsd s VAL 135 CO 0.00 -0.45 0.81 0.20 0.00 0.00 0.00 175.10 175.66 2hsd s ASN 136 N 1.97 6.27 -0.66 3.32 0.01 -0.02 -1.65 114.94 124.18 2hsd s ASN 136 Ca 0.02 -0.68 -0.26 0.00 -0.71 0.00 0.00 52.86 51.23 2hsd s ASN 136 Cb -0.22 -2.37 -0.02 0.00 0.41 0.00 0.00 41.25 39.05 2hsd s ASN 136 CO 0.02 -1.11 1.79 -0.63 -1.51 0.00 0.00 177.10 175.66 2hsd s ILE 137 N 3.38 3.42 0.00 0.60 -1.09 -0.64 -1.69 121.20 125.18 2hsd s ILE 137 Ca 0.23 0.17 0.00 0.00 -2.23 0.00 0.00 60.65 58.81 2hsd s ILE 137 Cb -0.16 -4.09 0.00 0.00 -1.58 0.00 0.00 42.46 36.63 2hsd s ILE 137 CO 0.15 -1.05 0.00 -0.24 -1.23 0.00 0.00 174.94 172.57 2hsd n SER 138 N 12.37 0.00 -3.78 3.58 2.88 0.28 -4.81 113.62 124.14 2hsd n SER 138 Ca 0.20 0.00 -0.13 0.00 -1.33 0.00 0.00 58.87 57.60 2hsd n SER 138 Cb 0.51 0.00 -0.07 0.00 -0.75 0.00 0.00 64.21 63.90 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 0.58 0.45 -3.46 0.15 -1.26 -4.10 113.70 105.05 2hsd s SER 139 Ca 0.00 -1.39 0.30 0.00 0.70 0.00 0.00 55.95 55.56 2hsd s SER 139 Cb 0.00 0.52 1.23 0.00 -1.71 0.00 0.00 66.02 66.06 2hsd s SER 139 CO 0.00 -1.05 1.89 0.00 1.20 0.00 0.00 173.24 175.28 2hsd h ALA 140 N 2.34 1.00 0.00 5.45 0.00 -1.55 -1.88 119.26 124.62 2hsd h ALA 140 Ca -0.30 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.61 2hsd h ALA 140 Cb 1.24 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.03 2hsd h ALA 140 CO 0.43 0.00 0.00 0.00 0.00 0.00 0.00 179.25 179.68 2hsd n ALA 141 N -1.98 1.86 0.52 0.00 0.00 -1.26 -1.95 120.51 117.70 2hsd n ALA 141 Ca 0.01 0.03 0.12 0.00 0.00 0.00 0.00 53.44 53.59 2hsd n ALA 141 Cb 0.28 -1.39 0.24 0.00 0.00 0.00 0.00 19.45 18.58 2hsd n ALA 141 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2hsd n GLY 142 N 0.43 1.42 0.00 0.00 0.00 -0.70 -4.20 105.19 102.13 2hsd n GLY 142 Ca 0.04 -0.68 0.03 0.00 0.00 0.00 0.00 46.02 45.41 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 1.26 0.17 -3.72 0.99 4.77 -0.82 -4.52 117.00 115.13 2hsd n LEU 143 Ca 0.19 -0.34 -0.08 0.00 -0.03 0.00 0.00 56.01 55.75 2hsd n LEU 143 Cb 0.55 0.00 -0.02 0.00 -2.33 0.00 0.00 43.42 41.62 2hsd n LEU 143 CO 0.15 0.04 0.50 0.00 -1.33 0.00 0.00 177.39 176.76 2hsd s MET 144 N -1.79 1.52 -0.30 3.23 0.23 -1.18 -5.10 119.30 115.92 2hsd s MET 144 Ca 0.01 -0.78 -0.29 0.00 -1.03 0.00 0.00 55.69 53.60 2hsd s MET 144 Cb 0.04 0.56 0.00 0.00 -1.53 0.00 0.00 34.83 33.90 2hsd s MET 144 CO 0.22 -0.69 1.32 0.20 -2.03 0.00 0.00 175.02 174.04 2hsd s GLY 145 N -2.86 1.36 -0.26 3.16 0.00 -1.26 -4.61 107.32 102.85 2hsd s GLY 145 Ca 0.08 0.11 -0.08 0.00 0.00 0.00 0.00 44.72 44.84 2hsd s GLY 145 CO 0.01 2.62 0.08 1.08 0.00 0.00 0.00 173.10 176.88 2hsd s LEU 146 N 4.48 3.56 0.64 0.66 1.43 -1.26 -5.08 118.68 123.11 2hsd s LEU 146 Ca 0.57 -0.30 -0.17 0.00 -1.03 0.00 0.00 54.13 53.20 2hsd s LEU 146 Cb -0.17 -1.93 -0.05 0.00 0.03 0.00 0.00 46.19 44.07 2hsd s LEU 146 CO 0.24 -0.07 0.69 0.00 0.23 0.00 0.00 176.35 177.44 2hsd n ALA 147 N 4.93 -0.79 -0.91 4.21 0.00 -1.26 -2.82 120.51 123.85 2hsd n ALA 147 Ca -0.16 -0.10 0.00 0.00 0.00 0.00 0.00 53.44 53.18 2hsd n ALA 147 Cb 0.51 -1.94 0.00 0.00 0.00 0.00 0.00 19.45 18.01 2hsd n ALA 147 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 2hsd n LEU 148 N -0.34 0.69 0.00 0.00 4.77 -1.26 -4.85 117.00 116.01 2hsd n LEU 148 Ca 0.12 0.00 0.11 0.00 -0.03 0.00 0.00 56.01 56.21 2hsd n LEU 148 Cb 0.48 -1.68 0.00 0.00 -2.33 0.00 0.00 43.42 39.90 2hsd n LEU 148 CO 0.50 -0.61 0.10 0.35 -1.33 0.00 0.00 177.39 176.40 2hsd n THR 149 N -2.23 0.01 0.00 -5.08 -2.24 -1.13 -0.05 114.28 103.56 2hsd n THR 149 Ca 0.00 -0.02 0.00 0.00 -2.27 0.00 0.00 64.05 61.76 2hsd n THR 149 Cb 0.26 0.71 0.00 0.00 -2.10 0.00 0.00 70.33 69.20 2hsd n THR 149 CO 0.00 0.00 0.00 -0.24 -0.57 0.00 0.00 175.07 174.26 2hsd n SER 150 N -1.53 0.00 -0.19 3.42 2.88 -1.25 0.71 113.62 117.66 2hsd n SER 150 Ca 0.04 0.00 0.13 0.00 -1.33 0.00 0.00 58.87 57.71 2hsd n SER 150 Cb 0.34 0.00 0.45 0.00 -0.75 0.00 0.00 64.21 64.25 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 0.50 -0.25 -3.46 4.64 -1.92 0.28 113.55 113.34 2hsd h SER 151 Ca 0.00 0.02 -0.06 0.00 -0.47 0.00 0.00 61.79 61.28 2hsd h SER 151 Cb 0.00 -0.08 -0.02 0.00 -0.31 0.00 0.00 62.40 61.99 2hsd h SER 151 CO 0.00 0.27 -0.04 0.22 -0.87 0.00 0.00 176.83 176.41 2hsd h TYR 152 N 0.54 0.62 -0.12 4.77 3.20 -0.05 -0.34 116.97 125.59 2hsd h TYR 152 Ca 0.37 -0.08 -0.06 0.00 3.14 0.00 0.00 58.73 62.10 2hsd h TYR 152 Cb 0.69 -0.17 -0.00 0.00 1.54 0.00 0.00 36.73 38.79 2hsd h TYR 152 CO -0.00 0.62 -0.18 0.78 -1.64 0.00 0.00 178.16 177.75 2hsd h GLY 153 N 0.90 0.36 0.63 1.82 0.00 -0.50 -1.11 103.07 105.17 2hsd h GLY 153 Ca 0.11 -0.40 0.04 0.00 0.00 0.00 0.00 47.33 47.08 2hsd h GLY 153 CO 0.02 0.36 -0.04 0.00 0.00 0.00 0.00 176.54 176.88 2hsd h ALA 154 N 0.55 0.14 0.00 3.60 0.00 -1.18 -2.47 119.26 119.91 2hsd h ALA 154 Ca 0.01 0.07 -0.11 0.00 0.00 0.00 0.00 54.91 54.89 2hsd h ALA 154 Cb 0.74 0.14 -0.02 0.00 0.00 0.00 0.00 17.79 18.65 2hsd h ALA 154 CO 0.04 -0.46 -0.51 0.66 0.00 0.00 0.00 179.25 178.98 2hsd h SER 155 N 0.02 0.00 1.22 0.00 4.64 -1.04 -2.44 113.55 115.96 2hsd h SER 155 Ca 0.10 0.00 -0.10 0.00 -0.47 0.00 0.00 61.79 61.31 2hsd h SER 155 Cb 0.14 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.21 2hsd h SER 155 CO -0.19 0.51 -0.49 0.11 -0.87 0.00 0.00 176.83 175.89 2hsd h LYS 156 N 0.00 0.00 -0.11 4.77 1.79 -0.95 -1.64 116.57 120.43 2hsd h LYS 156 Ca -0.01 0.00 -0.21 0.00 -2.18 0.00 0.00 60.65 58.26 2hsd h LYS 156 Cb 0.98 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.63 2hsd h LYS 156 CO 0.07 0.49 -0.77 -1.49 -1.08 0.00 0.00 179.45 176.67 2hsd h TRP 157 N 0.00 0.81 -0.27 -1.35 4.06 -1.35 -2.91 115.95 114.93 2hsd h TRP 157 Ca -0.00 -0.36 -0.02 0.00 2.06 0.00 0.00 58.89 60.57 2hsd h TRP 157 Cb 1.24 -0.12 -0.01 0.00 -1.00 0.00 0.00 29.16 29.26 2hsd h TRP 157 CO 0.00 1.16 0.11 0.78 -3.56 0.00 0.00 178.44 176.93 2hsd h GLY 158 N 0.92 0.44 1.33 1.49 0.00 -1.24 -2.49 103.07 103.51 2hsd h GLY 158 Ca -0.05 -0.24 0.03 0.00 0.00 0.00 0.00 47.33 47.08 2hsd h GLY 158 CO 0.15 0.23 0.37 -2.08 0.00 0.00 0.00 176.54 175.21 2hsd h VAL 159 N 0.29 1.06 -0.54 4.60 2.07 -1.28 -0.07 116.25 122.38 2hsd h VAL 159 Ca 0.09 -0.22 -0.07 0.00 0.82 0.00 0.00 66.70 67.32 2hsd h VAL 159 Cb 0.18 0.36 -0.02 0.00 -1.52 0.00 0.00 31.29 30.29 2hsd h VAL 159 CO -0.01 0.12 0.05 -0.09 0.02 0.00 0.00 177.57 177.67 2hsd h ARG 160 N 0.64 0.91 -0.03 1.57 2.43 -1.26 -1.30 114.38 117.35 2hsd h ARG 160 Ca 0.23 -0.26 -0.22 0.00 -0.81 0.00 0.00 59.98 58.91 2hsd h ARG 160 Cb 0.11 -0.10 0.00 0.00 -0.42 0.00 0.00 29.97 29.56 2hsd h ARG 160 CO -0.06 0.90 -0.89 0.78 -1.51 0.00 0.00 179.97 179.19 2hsd h GLY 161 N 0.79 0.54 0.88 2.80 0.00 -1.03 -2.83 103.07 104.23 2hsd h GLY 161 Ca 0.16 -0.89 0.02 0.00 0.00 0.00 0.00 47.33 46.62 2hsd h GLY 161 CO 0.02 0.78 0.23 -2.00 0.00 0.00 0.00 176.54 175.57 2hsd h LEU 162 N 0.29 0.37 -0.22 3.11 5.85 -0.91 -1.17 115.31 122.63 2hsd h LEU 162 Ca -0.07 0.01 0.00 0.00 0.84 0.00 0.00 57.88 58.66 2hsd h LEU 162 Cb 1.52 -0.07 -0.01 0.00 0.37 0.00 0.00 40.66 42.47 2hsd h LEU 162 CO 0.16 0.26 0.15 0.28 -0.34 0.00 0.00 178.44 178.95 2hsd h SER 163 N 0.47 0.26 -0.14 1.25 0.02 -1.25 -1.70 113.55 112.45 2hsd h SER 163 Ca 0.16 -0.02 0.03 0.00 -0.84 0.00 0.00 61.79 61.13 2hsd h SER 163 Cb 0.02 -0.07 -0.03 0.00 0.14 0.00 0.00 62.40 62.47 2hsd h SER 163 CO -0.08 0.20 -0.06 0.11 -1.14 0.00 0.00 176.83 175.86 2hsd h LYS 164 N 0.30 -0.03 0.00 3.45 1.57 -1.18 0.21 116.57 120.89 2hsd h LYS 164 Ca 0.08 0.00 -0.10 0.00 -1.87 0.00 0.00 60.65 58.77 2hsd h LYS 164 Cb -0.02 0.01 -0.01 0.00 0.08 0.00 0.00 32.23 32.28 2hsd h LYS 164 CO -0.02 -0.02 -0.47 1.37 -0.57 0.00 0.00 179.45 179.74 2hsd h LEU 165 N -0.04 0.00 -0.49 2.94 8.10 -1.23 -2.70 115.31 121.89 2hsd h LEU 165 Ca 0.07 0.00 -0.17 0.00 0.11 0.00 0.00 57.88 57.90 2hsd h LEU 165 Cb 0.15 0.00 -0.01 0.00 -0.44 0.00 0.00 40.66 40.36 2hsd h LEU 165 CO -0.16 0.47 -0.60 0.00 -4.11 0.00 0.00 178.44 174.03 2hsd h ALA 166 N 1.53 0.67 -0.66 0.17 0.00 -0.96 -2.93 119.26 117.09 2hsd h ALA 166 Ca -0.00 -0.54 -0.01 0.00 0.00 0.00 0.00 54.91 54.36 2hsd h ALA 166 Cb 1.01 -0.07 -0.03 0.00 0.00 0.00 0.00 17.79 18.70 2hsd h ALA 166 CO 0.06 0.71 0.37 0.00 0.00 0.00 0.00 179.25 180.38 2hsd h ALA 167 N 0.96 1.41 0.00 0.00 0.00 -0.27 -1.00 119.26 120.36 2hsd h ALA 167 Ca -0.00 -0.10 -0.20 0.00 0.00 0.00 0.00 54.91 54.61 2hsd h ALA 167 Cb 1.15 -0.27 -0.03 0.00 0.00 0.00 0.00 17.79 18.65 2hsd h ALA 167 CO 0.11 0.49 -0.95 -0.39 0.00 0.00 0.00 179.25 178.51 2hsd h VAL 168 N 0.91 1.69 -0.13 0.00 -1.51 -1.41 -2.77 116.25 113.03 2hsd h VAL 168 Ca 0.23 -3.27 -0.22 0.00 -1.23 0.00 0.00 66.70 62.21 2hsd h VAL 168 Cb 0.01 2.77 0.01 0.00 -2.13 0.00 0.00 31.29 31.95 2hsd h VAL 168 CO -0.04 0.94 -0.78 -0.33 -1.23 0.00 0.00 177.57 176.12 2hsd h GLU 169 N 0.00 0.76 -0.00 5.19 5.08 -1.25 -3.34 114.58 121.01 2hsd h GLU 169 Ca -0.01 -0.64 0.00 0.00 -1.00 0.00 0.00 59.36 57.71 2hsd h GLU 169 Cb 1.69 0.14 0.00 0.00 0.50 0.00 0.00 28.75 31.08 2hsd h GLU 169 CO 0.12 1.25 -0.53 1.28 -1.00 0.00 0.00 179.01 180.14 2hsd n LEU 170 N -3.96 0.76 -0.24 1.33 4.77 -0.43 -4.54 117.00 114.70 2hsd n LEU 170 Ca -0.08 -0.17 -0.02 0.00 -0.03 0.00 0.00 56.01 55.71 2hsd n LEU 170 Cb 0.75 -0.17 0.04 0.00 -2.33 0.00 0.00 43.42 41.71 2hsd n LEU 170 CO 0.53 0.17 0.66 1.23 -1.33 0.00 0.00 177.39 178.65 2hsd h GLY 171 N 4.98 0.15 1.95 -0.72 0.00 -1.61 0.24 103.07 108.06 2hsd h GLY 171 Ca 0.00 0.37 0.00 0.00 0.00 0.00 0.00 47.33 47.70 2hsd h GLY 171 CO 0.00 -0.24 0.03 -0.91 0.00 0.00 0.00 176.54 175.42 2hsd h THR 172 N -0.09 0.00 -0.29 4.70 1.35 -1.85 0.22 112.91 116.95 2hsd h THR 172 Ca 0.29 0.00 0.00 0.00 -0.55 0.00 0.00 66.41 66.15 2hsd h THR 172 Cb 0.55 0.90 0.00 0.00 -1.73 0.00 0.00 68.15 67.87 2hsd h THR 172 CO -0.74 0.00 0.00 0.47 -0.25 0.00 0.00 175.52 175.00 2hsd n ASP 173 N -2.94 2.50 -1.24 5.36 9.92 0.03 -4.91 116.55 125.28 2hsd n ASP 173 Ca -0.03 -1.86 -0.14 0.00 -0.53 0.00 0.00 54.79 52.23 2hsd n ASP 173 Cb 0.09 -0.19 -0.04 0.00 -0.64 0.00 0.00 41.12 40.34 2hsd n ASP 173 CO 0.00 0.00 0.00 0.54 0.13 0.00 0.00 177.20 177.87 2hsd n ARG 174 N 0.87 -1.00 -3.30 -1.24 1.74 0.78 -3.52 116.66 110.99 2hsd n ARG 174 Ca 0.17 0.85 -0.43 0.00 -0.77 0.00 0.00 57.85 57.67 2hsd n ARG 174 Cb 0.45 -5.00 -0.08 0.00 -1.02 0.00 0.00 32.46 26.82 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 -2.57 5.08 0.18 0.55 1.01 -0.95 -1.87 121.20 122.63 2hsd s ILE 175 Ca 0.00 -0.54 -0.23 0.00 0.00 0.00 0.00 60.65 59.88 2hsd s ILE 175 Cb 0.00 -4.11 -0.08 0.00 0.01 0.00 0.00 42.46 38.28 2hsd s ILE 175 CO 0.00 -0.54 0.74 -0.13 0.00 0.00 0.00 174.94 175.01 2hsd s ARG 176 N 2.13 4.41 -0.04 2.79 0.52 0.23 -3.93 118.95 125.06 2hsd s ARG 176 Ca 0.11 1.01 -0.02 0.00 -0.52 0.00 0.00 55.73 56.31 2hsd s ARG 176 Cb -0.19 -3.10 0.03 0.00 0.52 0.00 0.00 34.95 32.22 2hsd s ARG 176 CO 0.12 0.50 0.07 0.08 0.02 0.00 0.00 175.30 176.09 2hsd s VAL 177 N -1.30 -0.12 0.15 3.52 1.01 -1.26 -0.33 120.40 122.06 2hsd s VAL 177 Ca 0.38 0.38 -0.02 0.00 0.00 0.00 0.00 61.98 62.72 2hsd s VAL 177 Cb -0.20 -0.16 -0.03 0.00 0.00 0.00 0.00 36.38 35.98 2hsd s VAL 177 CO 0.23 0.16 0.11 0.20 0.00 0.00 0.00 175.10 175.80 2hsd s ASN 178 N 2.02 0.24 -0.00 3.32 -0.87 -0.47 -0.69 114.94 118.48 2hsd s ASN 178 Ca 0.02 -1.18 0.06 0.00 -1.57 0.00 0.00 52.86 50.19 2hsd s ASN 178 Cb -0.12 0.33 -0.02 0.00 -0.02 0.00 0.00 41.25 41.42 2hsd s ASN 178 CO -0.03 -0.77 -0.19 -0.94 -2.57 0.00 0.00 177.10 172.59 2hsd s SER 179 N -3.05 2.22 -0.06 -1.22 1.04 -0.40 -0.84 113.70 111.39 2hsd s SER 179 Ca 0.25 -0.38 0.02 0.00 0.48 0.00 0.00 55.95 56.33 2hsd s SER 179 Cb 0.07 -0.23 -0.03 0.00 0.10 0.00 0.00 66.02 65.93 2hsd s SER 179 CO 0.03 0.21 -0.11 -0.69 0.98 0.00 0.00 173.24 173.65 2hsd s VAL 180 N -0.52 3.31 -0.46 5.02 1.01 -0.68 -1.19 120.40 126.89 2hsd s VAL 180 Ca 0.07 -0.62 0.03 0.00 0.00 0.00 0.00 61.98 61.46 2hsd s VAL 180 Cb -0.08 -2.33 0.12 0.00 0.00 0.00 0.00 36.38 34.10 2hsd s VAL 180 CO -0.00 0.59 0.20 -1.00 0.00 0.00 0.00 175.10 174.89 2hsd s HIS 181 N -0.68 2.97 0.28 5.22 3.76 0.13 0.10 115.29 127.08 2hsd s HIS 181 Ca 0.10 -2.91 -0.29 0.00 -0.15 0.00 0.00 55.06 51.81 2hsd s HIS 181 Cb -0.11 -2.59 -0.09 0.00 1.11 0.00 0.00 32.58 30.89 2hsd s HIS 181 CO 0.01 -0.80 1.03 -2.14 -0.85 0.00 0.00 174.74 171.99 2hsd s PRO 182 N 0.18 4.66 0.00 8.40 0.02 -1.26 -1.02 135.00 145.98 2hsd s PRO 182 Ca 0.16 1.63 0.00 0.00 0.02 0.00 0.00 61.00 62.81 2hsd s PRO 182 Cb -0.24 -3.12 0.00 0.00 0.02 0.00 0.00 34.50 31.16 2hsd s PRO 182 CO -0.03 0.28 0.00 0.41 -0.33 0.00 0.00 177.00 177.33 2hsd n GLY 183 N 1.15 1.62 3.64 0.52 0.00 -0.30 -1.68 105.19 110.14 2hsd n GLY 183 Ca -0.01 -1.75 -0.43 0.00 0.00 0.00 0.00 46.02 43.84 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 3.00 3.91 0.07 1.61 -1.94 -1.26 -4.90 119.30 119.78 2hsd s MET 184 Ca 0.00 1.84 0.07 0.00 -1.71 0.00 0.00 55.69 55.90 2hsd s MET 184 Cb 0.00 -4.02 -0.04 0.00 2.01 0.00 0.00 34.83 32.79 2hsd s MET 184 CO 0.00 -1.15 -0.16 0.99 -0.01 0.00 0.00 175.02 174.68 2hsd s THR 185 N 4.86 2.92 -0.13 2.05 2.01 -1.26 0.75 115.64 126.85 2hsd s THR 185 Ca 0.72 -1.25 -0.26 0.00 0.31 0.00 0.00 61.69 61.21 2hsd s THR 185 Cb -0.28 -2.28 -0.02 0.00 0.01 0.00 0.00 72.50 69.93 2hsd s THR 185 CO 0.29 0.25 0.86 -0.47 -0.69 0.00 0.00 174.62 174.86 2hsd s TYR 186 N -1.02 3.48 0.01 4.92 5.04 0.12 -4.78 117.35 125.12 2hsd s TYR 186 Ca 0.16 1.36 -0.15 0.00 -2.44 0.00 0.00 57.07 56.00 2hsd s TYR 186 Cb -0.11 -3.02 0.03 0.00 0.35 0.00 0.00 41.96 39.21 2hsd s TYR 186 CO 0.08 -0.17 0.33 -0.08 -1.34 0.00 0.00 175.55 174.37 2hsd s THR 187 N 1.81 0.06 0.58 4.34 -1.32 -1.26 -4.30 115.64 115.56 2hsd s THR 187 Ca 0.41 -0.52 0.28 0.00 -1.21 0.00 0.00 61.69 60.65 2hsd s THR 187 Cb -0.17 -0.77 0.37 0.00 -1.51 0.00 0.00 72.50 70.42 2hsd s THR 187 CO 0.16 -0.29 1.99 -0.65 -2.21 0.00 0.00 174.62 173.62 2hsd h PRO 188 N 3.54 0.00 -0.05 7.08 0.11 -1.97 0.68 132.00 141.39 2hsd h PRO 188 Ca -0.30 0.00 -0.03 0.00 0.11 0.00 0.00 66.00 65.78 2hsd h PRO 188 Cb 1.18 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.29 2hsd h PRO 188 CO 0.42 0.00 -0.09 0.00 -0.21 0.00 0.00 178.00 178.12 2hsd h MET 189 N 0.00 0.14 0.00 1.05 -0.00 -1.97 -1.71 114.93 112.44 2hsd h MET 189 Ca 0.17 -0.09 -0.06 0.00 -0.00 0.00 0.00 59.70 59.71 2hsd h MET 189 Cb 0.88 0.01 -0.01 0.00 -0.00 0.00 0.00 31.60 32.48 2hsd h MET 189 CO -0.00 0.68 -0.29 1.79 -0.00 0.00 0.00 176.91 179.09 2hsd h THR 190 N -0.37 0.95 -0.38 -0.10 1.35 -1.42 0.03 112.91 112.97 2hsd h THR 190 Ca 0.00 -1.08 0.01 0.00 -0.55 0.00 0.00 66.41 64.79 2hsd h THR 190 Cb 0.67 1.62 -0.02 0.00 -1.73 0.00 0.00 68.15 68.70 2hsd h THR 190 CO 0.02 0.28 0.25 0.00 -0.25 0.00 0.00 175.52 175.82 2hsd h ALA 191 N 1.71 1.75 0.00 6.62 0.00 0.53 0.14 119.26 130.03 2hsd h ALA 191 Ca -0.00 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.88 2hsd h ALA 191 Cb 0.60 -0.15 0.00 0.00 0.00 0.00 0.00 17.79 18.25 2hsd h ALA 191 CO 0.04 0.22 0.00 1.49 0.00 0.00 0.00 179.25 181.00 2hsd h GLU 192 N 0.50 0.00 0.00 0.00 4.57 -0.04 -0.85 114.58 118.75 2hsd h GLU 192 Ca 0.14 0.00 0.00 0.00 -1.18 0.00 0.00 59.36 58.32 2hsd h GLU 192 Cb -0.02 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 28.57 2hsd h GLU 192 CO -0.03 0.00 -0.31 2.41 -1.18 0.00 0.00 179.01 179.90 2hsd n THR 193 N -2.59 0.04 -0.38 0.32 -1.04 0.47 -4.91 114.28 106.19 2hsd n THR 193 Ca 0.02 -0.02 0.00 0.00 -2.04 0.00 0.00 64.05 62.00 2hsd n THR 193 Cb 0.29 -0.07 0.00 0.00 -1.82 0.00 0.00 70.33 68.73 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 1.48 0.80 3.68 3.41 0.00 -0.32 -5.04 105.19 109.20 2hsd n GLY 194 Ca 0.06 -0.13 -0.42 0.00 0.00 0.00 0.00 46.02 45.53 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 -2.00 3.69 -0.15 -0.61 -1.09 -1.00 -5.01 121.20 115.03 2hsd s ILE 195 Ca 0.00 1.02 -0.11 0.00 -2.23 0.00 0.00 60.65 59.33 2hsd s ILE 195 Cb 0.00 -3.66 -0.05 0.00 -1.58 0.00 0.00 42.46 37.18 2hsd s ILE 195 CO 0.00 -0.03 0.20 -0.13 -1.23 0.00 0.00 174.94 173.75 2hsd s ARG 196 N 2.81 4.00 0.04 2.79 0.52 -1.26 -4.43 118.95 123.42 2hsd s ARG 196 Ca 0.65 -0.06 -0.21 0.00 -0.52 0.00 0.00 55.73 55.59 2hsd s ARG 196 Cb -0.31 -3.35 -0.06 0.00 0.52 0.00 0.00 34.95 31.75 2hsd s ARG 196 CO 0.26 0.43 0.62 1.14 0.02 0.00 0.00 175.30 177.77 2hsd s GLN 197 N -0.06 4.32 0.00 3.54 -2.07 -1.26 -4.61 119.66 119.53 2hsd s GLN 197 Ca 0.13 0.81 0.00 0.00 -1.82 0.00 0.00 55.36 54.48 2hsd s GLN 197 Cb -0.12 -3.31 0.00 0.00 -1.09 0.00 0.00 33.01 28.49 2hsd s GLN 197 CO 0.02 0.45 0.00 0.41 -1.32 0.00 0.00 175.29 174.86 2hsd n GLY 198 N 2.16 4.68 3.68 2.60 0.00 -1.26 -4.90 105.19 112.14 2hsd n GLY 198 Ca -0.07 -1.23 -0.42 0.00 0.00 0.00 0.00 46.02 44.30 2hsd n GLY 198 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 2hsd n GLU 199 N -1.96 2.83 0.00 1.61 1.02 -1.26 -0.23 120.64 122.65 2hsd n GLU 199 Ca 0.00 1.03 0.00 0.00 -0.02 0.00 0.00 57.16 58.17 2hsd n GLU 199 Cb 0.00 -2.96 0.00 0.00 -0.02 0.00 0.00 31.44 28.46 2hsd n GLU 199 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 2hsd n GLY 200 N 4.40 3.23 0.00 0.62 0.00 -1.13 -4.94 105.19 107.37 2hsd n GLY 200 Ca 0.19 0.00 0.14 0.00 0.00 0.00 0.00 46.02 46.35 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 0.00 0.00 -2.92 1.61 3.02 0.69 -3.97 115.26 113.69 2hsd n ASN 201 Ca 0.00 -0.70 -0.13 0.00 -0.03 0.00 0.00 54.58 53.72 2hsd n ASN 201 Cb 0.00 -0.07 0.04 0.00 -0.61 0.00 0.00 39.78 39.14 2hsd n ASN 201 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 2hsd n TYR 202 N -1.07 -1.22 -0.26 3.10 9.36 0.13 -4.48 117.16 122.73 2hsd n TYR 202 Ca 0.19 -2.89 0.31 0.00 3.32 0.00 0.00 57.90 58.83 2hsd n TYR 202 Cb 0.12 0.59 0.51 0.00 -0.63 0.00 0.00 39.34 39.94 2hsd n TYR 202 CO 0.00 0.00 0.00 -1.00 0.22 0.00 0.00 176.86 176.08 2hsd h PRO 203 N 2.92 0.00 -0.92 2.98 0.13 -1.68 -2.49 132.00 132.95 2hsd h PRO 203 Ca -0.03 0.00 -0.02 0.00 -0.87 0.00 0.00 66.00 65.08 2hsd h PRO 203 Cb 1.07 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.18 2hsd h PRO 203 CO 0.30 0.00 0.03 0.09 -0.23 0.00 0.00 178.00 178.19 2hsd n ASN 204 N -3.38 2.33 -3.84 1.44 4.13 -1.26 -4.65 115.26 110.02 2hsd n ASN 204 Ca 0.25 -2.25 -0.16 0.00 1.68 0.00 0.00 54.58 54.09 2hsd n ASN 204 Cb 1.53 -0.55 -0.16 0.00 -1.54 0.00 0.00 39.78 39.06 2hsd n ASN 204 CO 0.00 0.00 0.00 0.28 0.28 0.00 0.00 177.26 177.82 2hsd s THR 205 N -1.31 0.19 0.32 3.41 -1.32 -0.94 -4.83 115.64 111.15 2hsd s THR 205 Ca 0.13 0.04 0.08 0.00 -1.21 0.00 0.00 61.69 60.73 2hsd s THR 205 Cb 0.10 -0.25 0.38 0.00 -1.51 0.00 0.00 72.50 71.22 2hsd s THR 205 CO 0.04 0.12 1.50 -2.65 -2.21 0.00 0.00 174.62 171.42 2hsd n PRO 206 N 3.87 -0.07 0.00 7.08 -0.02 -1.14 0.88 135.00 145.60 2hsd n PRO 206 Ca -0.24 1.39 0.02 0.00 -2.02 0.00 0.00 63.50 62.65 2hsd n PRO 206 Cb 0.52 -2.30 0.13 0.00 -0.02 0.00 0.00 33.50 31.83 2hsd n PRO 206 CO 0.00 0.00 0.00 -1.33 1.98 0.00 0.00 175.50 176.15 2hsd n MET 207 N -5.32 0.82 -0.38 -0.52 2.81 -0.64 -4.84 117.12 109.05 2hsd n MET 207 Ca 0.27 0.00 0.00 0.00 -1.81 0.00 0.00 57.70 56.16 2hsd n MET 207 Cb 0.91 -1.08 0.00 0.00 -0.71 0.00 0.00 33.22 32.34 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 0.37 0.01 3.10 3.03 0.00 0.25 -4.79 105.19 107.16 2hsd n GLY 208 Ca 0.03 0.00 -0.08 0.00 0.00 0.00 0.00 46.02 45.97 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 -0.75 0.63 0.61 1.61 1.70 -1.25 -0.69 118.95 120.80 2hsd s ARG 209 Ca 0.00 -1.17 -0.13 0.00 -0.47 0.00 0.00 55.73 53.96 2hsd s ARG 209 Cb 0.00 0.07 -0.04 0.00 -0.57 0.00 0.00 34.95 34.41 2hsd s ARG 209 CO 0.00 -0.07 1.03 0.54 -1.08 0.00 0.00 175.30 175.72 2hsd s VAL 210 N -3.48 4.36 0.65 4.99 0.11 -1.26 -4.87 120.40 120.90 2hsd s VAL 210 Ca 0.05 0.91 -0.02 0.00 -2.93 0.00 0.00 61.98 59.98 2hsd s VAL 210 Cb 0.05 -3.64 0.07 0.00 -1.53 0.00 0.00 36.38 31.32 2hsd s VAL 210 CO -0.07 -0.87 0.92 -0.83 -3.33 0.00 0.00 175.10 170.92 2hsd s GLY 211 N -3.60 1.77 0.16 6.54 0.00 0.23 -4.77 107.32 107.65 2hsd s GLY 211 Ca 0.58 -1.29 0.06 0.00 0.00 0.00 0.00 44.72 44.07 2hsd s GLY 211 CO 0.46 -0.89 0.07 -0.54 0.00 0.00 0.00 173.10 172.20 2hsd s GLU 213 N -5.04 2.67 0.30 2.90 0.41 -1.26 0.15 118.70 118.84 2hsd s GLU 213 Ca 0.61 -0.96 -0.01 0.00 -0.41 0.00 0.00 54.97 54.20 2hsd s GLU 213 Cb -0.09 -2.52 0.47 0.00 -1.78 0.00 0.00 34.13 30.21 2hsd s GLU 213 CO 0.42 0.48 1.92 -1.35 -0.49 0.00 0.00 175.26 176.24 2hsd h PRO 214 N 2.63 0.93 0.00 0.39 0.11 -1.97 -1.98 132.00 132.11 2hsd h PRO 214 Ca -0.47 -0.10 -0.04 0.00 0.11 0.00 0.00 66.00 65.49 2hsd h PRO 214 Cb 1.20 -0.18 -0.01 0.00 0.11 0.00 0.00 31.00 32.12 2hsd h PRO 214 CO 0.61 0.69 -0.19 0.78 -0.21 0.00 0.00 178.00 179.68 2hsd h GLY 215 N 0.99 0.00 1.01 -0.55 0.00 -1.95 -1.10 103.07 101.47 2hsd h GLY 215 Ca 0.24 0.00 -0.13 0.00 0.00 0.00 0.00 47.33 47.43 2hsd h GLY 215 CO -0.04 0.00 -0.33 0.83 0.00 0.00 0.00 176.54 177.01 2hsd h GLU 216 N 0.00 0.76 -0.19 4.80 5.08 -1.76 -2.42 114.58 120.84 2hsd h GLU 216 Ca -0.00 -0.41 -0.16 0.00 -1.00 0.00 0.00 59.36 57.79 2hsd h GLU 216 Cb 0.46 0.02 -0.01 0.00 0.50 0.00 0.00 28.75 29.73 2hsd h GLU 216 CO 0.02 1.03 -0.53 0.82 -1.00 0.00 0.00 179.01 179.36 2hsd h ILE 217 N 0.51 1.32 -0.03 3.13 5.03 -1.35 -3.07 117.51 123.05 2hsd h ILE 217 Ca 0.04 -1.77 0.00 0.00 -0.12 0.00 0.00 64.86 63.02 2hsd h ILE 217 Cb 0.91 1.74 -0.00 0.00 -3.03 0.00 0.00 36.82 36.44 2hsd h ILE 217 CO 0.08 0.55 0.02 0.00 -0.68 0.00 0.00 178.15 178.12 2hsd h ALA 218 N 0.99 1.98 -0.25 1.87 0.00 -1.11 -2.59 119.26 120.15 2hsd h ALA 218 Ca 0.01 -0.00 -0.02 0.00 0.00 0.00 0.00 54.91 54.90 2hsd h ALA 218 Cb 1.06 -0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.83 2hsd h ALA 218 CO 0.10 0.02 0.08 0.78 0.00 0.00 0.00 179.25 180.23 2hsd h GLY 219 N 0.04 0.41 1.94 0.00 0.00 -1.33 -2.38 103.07 101.75 2hsd h GLY 219 Ca 0.01 -0.24 -0.06 0.00 0.00 0.00 0.00 47.33 47.05 2hsd h GLY 219 CO -0.00 0.22 -0.25 0.00 0.00 0.00 0.00 176.54 176.51 2hsd h ALA 220 N 0.92 1.51 -0.39 3.60 0.00 -1.58 -2.03 119.26 121.29 2hsd h ALA 220 Ca 0.08 -0.25 -0.03 0.00 0.00 0.00 0.00 54.91 54.71 2hsd h ALA 220 Cb 0.22 -0.06 -0.02 0.00 0.00 0.00 0.00 17.79 17.94 2hsd h ALA 220 CO -0.00 0.36 0.13 0.28 0.00 0.00 0.00 179.25 180.01 2hsd h VAL 221 N 0.07 1.21 -0.39 0.00 2.07 -1.23 -2.87 116.25 115.12 2hsd h VAL 221 Ca 0.01 -0.68 -0.06 0.00 0.82 0.00 0.00 66.70 66.79 2hsd h VAL 221 Cb 0.47 0.93 -0.02 0.00 -1.52 0.00 0.00 31.29 31.15 2hsd h VAL 221 CO 0.03 0.24 -0.01 0.58 0.02 0.00 0.00 177.57 178.43 2hsd h VAL 222 N 0.48 1.22 -0.32 2.57 2.07 -1.10 -1.87 116.25 119.29 2hsd h VAL 222 Ca 0.13 -0.89 0.02 0.00 0.82 0.00 0.00 66.70 66.78 2hsd h VAL 222 Cb 0.25 0.93 -0.03 0.00 -1.52 0.00 0.00 31.29 30.92 2hsd h VAL 222 CO -0.01 0.31 0.16 0.50 0.02 0.00 0.00 177.57 178.55 2hsd h LYS 223 N 0.59 0.32 0.00 1.57 3.11 -1.26 0.23 116.57 121.13 2hsd h LYS 223 Ca 0.12 -0.02 0.00 0.00 -2.81 0.00 0.00 60.65 57.94 2hsd h LYS 223 Cb 0.39 -0.07 0.00 0.00 -1.00 0.00 0.00 32.23 31.55 2hsd h LYS 223 CO 0.01 0.21 0.00 1.28 -2.81 0.00 0.00 179.45 178.15 2hsd n LEU 224 N -4.96 0.26 0.02 5.20 4.77 -1.05 -2.53 117.00 118.70 2hsd n LEU 224 Ca -0.00 0.54 -0.20 0.00 -0.03 0.00 0.00 56.01 56.32 2hsd n LEU 224 Cb 0.08 -0.49 -0.14 0.00 -2.33 0.00 0.00 43.42 40.54 2hsd n LEU 224 CO 0.31 -0.23 -0.74 -0.07 -1.33 0.00 0.00 177.39 175.33 2hsd h LEU 225 N 0.00 0.41-10.26 2.23 4.07 -0.36 -3.47 115.31 107.94 2hsd h LEU 225 Ca 0.00 -0.87 -0.48 0.00 0.08 0.00 0.00 57.88 56.61 2hsd h LEU 225 Cb 0.42 -0.13 0.18 0.00 1.08 0.00 0.00 40.66 42.21 2hsd h LEU 225 CO 0.00 1.77 0.17 -0.94 -1.08 0.00 0.00 178.44 178.36 2hsd s SER 226 N -7.00 2.56 0.00 -0.43 1.04 0.68 -4.91 113.70 105.63 2hsd s SER 226 Ca -0.20 1.72 0.22 0.00 0.48 0.00 0.00 55.95 58.17 2hsd s SER 226 Cb 0.07 -2.34 1.09 0.00 0.10 0.00 0.00 66.02 64.94 2hsd s SER 226 CO 0.79 -3.24 1.73 0.47 0.98 0.00 0.00 173.24 173.96 2hsd n ASP 227 N -4.30 0.64 0.14 7.02 8.00 -1.26 -3.27 116.55 123.52 2hsd n ASP 227 Ca 0.07 -1.46 0.13 0.00 0.71 0.00 0.00 54.79 54.24 2hsd n ASP 227 Cb 0.54 -0.03 0.48 0.00 -0.02 0.00 0.00 41.12 42.09 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 0.88 0.00 -1.40 -3.53 2.02 -1.80 -2.99 112.91 106.09 2hsd h THR 228 Ca 0.00 -0.34 -0.61 0.00 0.77 0.00 0.00 66.41 66.23 2hsd h THR 228 Cb 0.19 1.17 -0.40 0.00 -1.74 0.00 0.00 68.15 67.38 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 -2.36 5.24 0.00 4.18 3.41 -1.20 -4.85 113.62 118.04 2hsd n SER 229 Ca 0.03 -3.74 0.07 0.00 -0.26 0.00 0.00 58.87 54.96 2hsd n SER 229 Cb 0.29 -0.53 0.41 0.00 -0.26 0.00 0.00 64.21 64.12 2hsd n SER 229 CO 0.00 0.00 0.00 -1.54 -0.16 0.00 0.00 175.04 173.34 2hsd n SER 230 N -0.55 0.00 -0.48 4.04 3.41 -1.13 -2.57 113.62 116.34 2hsd n SER 230 Ca 0.43 -0.69 0.01 0.00 -0.26 0.00 0.00 58.87 58.35 2hsd n SER 230 Cb 0.67 0.00 0.01 0.00 -0.26 0.00 0.00 64.21 64.63 2hsd n SER 230 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2hsd n TYR 231 N -0.89 0.00 -3.59 7.33 9.36 -1.26 -5.04 117.16 123.07 2hsd n TYR 231 Ca 0.10 -0.08 -0.39 0.00 3.32 0.00 0.00 57.90 60.86 2hsd n TYR 231 Cb 0.05 -0.06 -0.11 0.00 -0.63 0.00 0.00 39.34 38.59 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 -0.20 5.12 -0.23 2.97 1.01 -1.06 -5.06 120.40 122.94 2hsd s VAL 232 Ca 0.03 -0.10 -0.21 0.00 0.00 0.00 0.00 61.98 61.69 2hsd s VAL 232 Cb 0.02 -3.54 0.06 0.00 0.00 0.00 0.00 36.38 32.92 2hsd s VAL 232 CO 0.00 0.12 0.62 -0.89 0.00 0.00 0.00 175.10 174.95 2hsd s THR 233 N 1.71 -0.00 -0.77 3.92 2.01 -1.26 -4.63 115.64 116.62 2hsd s THR 233 Ca 0.06 0.00 -0.01 0.00 0.31 0.00 0.00 61.69 62.06 2hsd s THR 233 Cb -0.17 -0.86 0.00 0.00 0.01 0.00 0.00 72.50 71.49 2hsd s THR 233 CO 0.10 0.00 0.09 0.61 -0.69 0.00 0.00 174.62 174.72 2hsd n GLY 234 N 2.82 0.03 3.69 4.40 0.00 0.13 -4.99 105.19 111.27 2hsd n GLY 234 Ca -0.14 -0.46 -0.24 0.00 0.00 0.00 0.00 46.02 45.18 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 -2.58 3.26 -0.10 4.61 0.00 -1.26 -4.89 121.76 120.81 2hsd s ALA 235 Ca 0.04 -1.49 0.02 0.00 0.00 0.00 0.00 51.96 50.53 2hsd s ALA 235 Cb -0.02 -0.97 0.02 0.00 0.00 0.00 0.00 23.12 22.15 2hsd s ALA 235 CO 0.05 0.36 -0.14 -1.83 0.00 0.00 0.00 175.76 174.20 2hsd s GLU 236 N -3.40 2.08 -0.22 0.00 -1.05 -1.26 -1.27 118.70 113.58 2hsd s GLU 236 Ca 0.30 -0.51 -0.01 0.00 -0.15 0.00 0.00 54.97 54.60 2hsd s GLU 236 Cb -0.08 -1.79 0.02 0.00 -0.44 0.00 0.00 34.13 31.85 2hsd s GLU 236 CO 0.20 -0.06 -0.11 -1.17 0.95 0.00 0.00 175.26 175.07 2hsd s LEU 237 N 0.99 2.83 -0.22 1.83 2.96 -0.33 -5.01 118.68 121.73 2hsd s LEU 237 Ca -0.07 -0.78 -0.17 0.00 -0.22 0.00 0.00 54.13 52.88 2hsd s LEU 237 Cb -0.15 -1.60 -0.03 0.00 0.50 0.00 0.00 46.19 44.90 2hsd s LEU 237 CO -0.01 -0.08 0.47 0.00 -1.32 0.00 0.00 176.35 175.41 2hsd s ALA 238 N 1.31 3.56 -0.66 5.97 0.00 -1.26 0.22 121.76 130.90 2hsd s ALA 238 Ca 0.02 -0.52 0.05 0.00 0.00 0.00 0.00 51.96 51.50 2hsd s ALA 238 Cb -0.15 -2.76 0.16 0.00 0.00 0.00 0.00 23.12 20.36 2hsd s ALA 238 CO -0.07 -0.48 0.45 0.08 0.00 0.00 0.00 175.76 175.74 2hsd s VAL 239 N 1.72 2.72 0.00 0.00 1.01 -0.19 -4.85 120.40 120.81 2hsd s VAL 239 Ca 0.21 -4.05 0.00 0.00 0.00 0.00 0.00 61.98 58.14 2hsd s VAL 239 Cb -0.15 -2.81 0.00 0.00 0.00 0.00 0.00 36.38 33.42 2hsd s VAL 239 CO 0.09 -0.98 0.86 -0.90 0.00 0.00 0.00 175.10 174.16 2hsd n ASP 240 N 2.19 0.00 -2.69 3.32 5.68 -1.26 -1.15 116.55 122.64 2hsd n ASP 240 Ca 0.18 -1.73 -0.19 0.00 -0.50 0.00 0.00 54.79 52.55 2hsd n ASP 240 Cb 0.35 -0.15 0.00 0.00 -1.14 0.00 0.00 41.12 40.19 2hsd n ASP 240 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 2hsd n GLY 241 N 0.00 -0.50 2.01 6.12 0.00 -1.26 -1.64 105.19 109.92 2hsd n GLY 241 Ca 0.00 0.04 -0.00 0.00 0.00 0.00 0.00 46.02 46.06 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 -1.08 0.47 0.28 -0.02 0.00 -1.26 -1.62 105.19 101.96 2hsd n GLY 242 Ca -0.15 -0.30 0.05 0.00 0.00 0.00 0.00 46.02 45.62 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 0.56 -0.01 1.61 7.01 -1.62 -2.46 115.95 121.03 2hsd h TRP 243 Ca -0.00 0.03 0.00 0.00 2.11 0.00 0.00 58.89 61.03 2hsd h TRP 243 Cb 0.02 -0.13 0.00 0.00 -2.10 0.00 0.00 29.16 26.95 2hsd h TRP 243 CO 0.01 0.10 -0.25 0.25 -2.79 0.00 0.00 178.44 175.76 2hsd n THR 244 N -4.97 0.00 -0.01 2.65 -2.24 -1.26 -4.32 114.28 104.13 2hsd n THR 244 Ca 0.14 -0.21 -0.17 0.00 -2.27 0.00 0.00 64.05 61.53 2hsd n THR 244 Cb 0.40 0.72 -0.09 0.00 -2.10 0.00 0.00 70.33 69.26 2hsd n THR 244 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2hsd h THR 245 N 2.02 1.34 0.00 4.28 1.03 -1.85 -3.49 112.91 116.24 2hsd h THR 245 Ca 0.00 -1.99 0.00 0.00 -0.01 0.00 0.00 66.41 64.41 2hsd h THR 245 Cb 0.61 2.26 0.00 0.00 -1.07 0.00 0.00 68.15 69.95 2hsd h THR 245 CO 0.00 0.60 0.00 0.61 -0.01 0.00 0.00 175.52 176.72 2hsd n GLY 246 N 0.85 0.49 3.78 2.99 0.00 -1.25 -5.16 105.19 106.89 2hsd n GLY 246 Ca -0.09 -0.83 -0.34 0.00 0.00 0.00 0.00 46.02 44.77 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 -2.00 3.16 0.39 1.61 0.04 -1.26 -4.81 135.00 132.14 2hsd s PRO 247 Ca 0.00 1.40 -0.27 0.00 0.04 0.00 0.00 61.00 62.17 2hsd s PRO 247 Cb 0.00 -2.00 -0.10 0.00 0.04 0.00 0.00 34.50 32.44 2hsd s PRO 247 CO 0.00 -0.96 1.47 0.99 0.04 0.00 0.00 177.00 178.54 2hsd s THR 248 N -2.19 2.07 0.24 1.26 2.01 -1.26 -4.79 115.64 112.98 2hsd s THR 248 Ca 0.68 0.07 -0.09 0.00 0.31 0.00 0.00 61.69 62.66 2hsd s THR 248 Cb -0.20 -3.04 0.29 0.00 0.01 0.00 0.00 72.50 69.56 2hsd s THR 248 CO 0.35 0.01 1.62 0.58 -0.69 0.00 0.00 174.62 176.49 2hsd h VAL 249 N 2.83 0.31 -0.88 3.82 2.07 -1.94 0.85 116.25 123.30 2hsd h VAL 249 Ca -0.51 -0.02 0.11 0.00 0.82 0.00 0.00 66.70 67.10 2hsd h VAL 249 Cb 1.24 0.24 -0.08 0.00 -1.52 0.00 0.00 31.29 31.17 2hsd h VAL 249 CO 0.63 0.01 0.51 0.50 0.02 0.00 0.00 177.57 179.25 2hsd h LYS 250 N 0.06 0.80 -0.08 1.57 3.64 -1.94 -0.55 116.57 120.07 2hsd h LYS 250 Ca 0.39 -0.05 -0.10 0.00 -1.27 0.00 0.00 60.65 59.62 2hsd h LYS 250 Cb 0.67 -0.18 -0.01 0.00 -0.41 0.00 0.00 32.23 32.30 2hsd h LYS 250 CO -0.70 0.53 -0.43 -0.92 -2.27 0.00 0.00 179.45 175.66 2hsd h TYR 251 N 0.82 0.20 0.00 1.91 5.03 -1.16 0.95 116.97 124.71 2hsd h TYR 251 Ca 0.44 -0.05 -0.01 0.00 2.58 0.00 0.00 58.73 61.68 2hsd h TYR 251 Cb 0.45 -0.04 -0.00 0.00 1.55 0.00 0.00 36.73 38.69 2hsd h TYR 251 CO -0.05 0.57 -0.06 0.28 -1.32 0.00 0.00 178.16 177.58 2hsd h VAL 252 N 0.14 0.24 0.00 1.81 2.07 -0.30 -3.32 116.25 116.90 2hsd h VAL 252 Ca 0.01 -0.45 0.00 0.00 0.82 0.00 0.00 66.70 67.08 2hsd h VAL 252 Cb 0.82 1.36 0.00 0.00 -1.52 0.00 0.00 31.29 31.94 2hsd h VAL 252 CO 0.06 0.06 0.00 0.23 0.02 0.00 0.00 177.57 177.94 2hsd n MET 253 N -3.31 0.00 -3.07 1.57 2.81 -0.89 -5.05 117.12 109.18 2hsd n MET 253 Ca -0.01 0.05 0.05 0.00 -1.81 0.00 0.00 57.70 55.98 2hsd n MET 253 Cb 0.24 -0.47 0.00 0.00 -0.71 0.00 0.00 33.22 32.27 2hsd n MET 253 CO 0.00 0.00 0.00 0.20 1.51 0.00 0.00 175.97 177.68 2hsd s GLY 254 N -2.55 -1.03 0.00 3.03 0.00 0.28 -5.12 107.32 101.93 2hsd s GLY 254 Ca 0.00 2.06 0.26 0.00 0.00 0.00 0.00 44.72 47.04 2hsd s GLY 254 CO 0.00 4.20 1.52 -0.18 0.00 0.00 0.00 173.10 178.64