#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2pd6 h ARG 10 N 0.00 0.23 -0.02 3.23 9.65 -1.68 -0.22 114.38 125.58 2pd6 h ARG 10 Ca 0.00 -0.01 -0.08 0.00 -1.10 0.00 0.00 59.98 58.79 2pd6 h ARG 10 Cb 0.00 -0.05 -0.01 0.00 -1.39 0.00 0.00 29.97 28.52 2pd6 h ARG 10 CO 0.00 0.16 -0.34 0.66 2.80 0.00 0.00 179.97 183.24 2pd6 h SER 11 N 0.24 0.04 -4.05 -3.80 4.64 -1.92 -3.41 113.55 105.29 2pd6 h SER 11 Ca 0.34 -0.01 -0.46 0.00 -0.47 0.00 0.00 61.79 61.18 2pd6 h SER 11 Cb 0.53 -0.01 0.01 0.00 -0.31 0.00 0.00 62.40 62.62 2pd6 h SER 11 CO -0.45 0.38 0.38 0.00 -0.87 0.00 0.00 176.83 176.27 2pd6 s ALA 12 N -4.26 2.95 -0.25 5.18 0.00 -0.11 -4.88 121.76 120.39 2pd6 s ALA 12 Ca -0.03 0.56 -0.05 0.00 0.00 0.00 0.00 51.96 52.44 2pd6 s ALA 12 Cb 0.14 -3.23 -0.01 0.00 0.00 0.00 0.00 23.12 20.03 2pd6 s ALA 12 CO 0.73 -0.17 0.01 -1.17 0.00 0.00 0.00 175.76 175.16 2pd6 s LEU 13 N -3.26 3.26 -0.18 0.00 2.96 -1.26 -1.15 118.68 119.04 2pd6 s LEU 13 Ca 0.64 -0.45 -0.04 0.00 -0.22 0.00 0.00 54.13 54.06 2pd6 s LEU 13 Cb -0.15 -1.81 -0.02 0.00 0.50 0.00 0.00 46.19 44.70 2pd6 s LEU 13 CO 0.19 -0.07 -0.02 0.00 -1.32 0.00 0.00 176.35 175.13 2pd6 s ALA 14 N 1.51 2.99 -0.28 5.97 0.00 0.08 -0.92 121.76 131.11 2pd6 s ALA 14 Ca 0.05 -0.94 -0.11 0.00 0.00 0.00 0.00 51.96 50.95 2pd6 s ALA 14 Cb -0.15 -1.67 -0.05 0.00 0.00 0.00 0.00 23.12 21.25 2pd6 s ALA 14 CO -0.00 -0.04 0.20 -1.17 0.00 0.00 0.00 175.76 174.75 2pd6 s LEU 15 N 0.81 4.03 -0.20 0.00 2.96 -0.08 -0.03 118.68 126.17 2pd6 s LEU 15 Ca -0.00 0.02 -0.01 0.00 -0.22 0.00 0.00 54.13 53.92 2pd6 s LEU 15 Cb -0.14 -2.14 0.01 0.00 0.50 0.00 0.00 46.19 44.42 2pd6 s LEU 15 CO 0.02 -0.05 -0.13 -0.69 -1.32 0.00 0.00 176.35 174.18 2pd6 s VAL 16 N 1.73 2.56 0.39 1.68 1.01 -0.33 -1.17 120.40 126.27 2pd6 s VAL 16 Ca 0.08 -0.85 -0.06 0.00 0.00 0.00 0.00 61.98 61.15 2pd6 s VAL 16 Cb -0.16 -2.16 -0.05 0.00 0.00 0.00 0.00 36.38 34.02 2pd6 s VAL 16 CO 0.10 0.44 0.68 0.42 0.00 0.00 0.00 175.10 176.75 2pd6 s THR 17 N 1.34 4.93 -1.59 3.92 -4.23 -0.72 -0.55 115.64 118.74 2pd6 s THR 17 Ca 0.04 0.20 0.00 0.00 -1.18 0.00 0.00 61.69 60.75 2pd6 s THR 17 Cb -0.14 -3.79 0.00 0.00 1.34 0.00 0.00 72.50 69.91 2pd6 s THR 17 CO -0.09 -0.57 0.00 0.61 -0.54 0.00 0.00 174.62 174.04 2pd6 n GLY 18 N -1.54 0.47 0.04 3.99 0.00 -0.68 -2.59 105.19 104.88 2pd6 n GLY 18 Ca -0.00 -0.19 0.12 0.00 0.00 0.00 0.00 46.02 45.95 2pd6 n GLY 18 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2pd6 n ALA 19 N -0.57 2.15 0.95 4.61 0.00 -0.61 -3.10 120.51 123.92 2pd6 n ALA 19 Ca -0.19 -0.06 0.12 0.00 0.00 0.00 0.00 53.44 53.31 2pd6 n ALA 19 Cb 0.62 -1.42 0.55 0.00 0.00 0.00 0.00 19.45 19.19 2pd6 n ALA 19 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2pd6 n GLY 20 N 1.07 -1.24 3.33 0.00 0.00 -1.26 -3.16 105.19 103.93 2pd6 n GLY 20 Ca 0.06 -0.09 -0.12 0.00 0.00 0.00 0.00 46.02 45.86 2pd6 n GLY 20 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2pd6 s SER 21 N -2.84 -0.30 1.87 1.61 0.15 -1.18 -4.70 113.70 108.30 2pd6 s SER 21 Ca 0.16 -0.11 0.00 0.00 0.70 0.00 0.00 55.95 56.70 2pd6 s SER 21 Cb 0.16 0.46 0.00 0.00 -1.71 0.00 0.00 66.02 64.93 2pd6 s SER 21 CO 0.41 -0.77 0.00 0.61 1.20 0.00 0.00 173.24 174.70 2pd6 n GLY 22 N 0.14 3.74 0.29 9.45 0.00 -1.26 -1.91 105.19 115.64 2pd6 n GLY 22 Ca -0.17 -0.02 -0.07 0.00 0.00 0.00 0.00 46.02 45.75 2pd6 n GLY 22 CO 0.00 0.00 0.00 -2.22 0.00 0.00 0.00 173.32 171.10 2pd6 h ILE 23 N 0.00 1.24 -0.88 -0.61 2.04 -1.90 -1.15 117.51 116.25 2pd6 h ILE 23 Ca 0.00 -0.76 0.00 0.00 1.00 0.00 0.00 64.86 65.11 2pd6 h ILE 23 Cb 0.00 0.52 -0.04 0.00 -0.74 0.00 0.00 36.82 36.55 2pd6 h ILE 23 CO 0.00 0.30 0.57 1.23 0.00 0.00 0.00 178.15 180.25 2pd6 h GLY 24 N 0.92 1.25 0.91 5.37 0.00 -1.47 0.63 103.07 110.68 2pd6 h GLY 24 Ca 0.22 -0.48 -0.07 0.00 0.00 0.00 0.00 47.33 46.99 2pd6 h GLY 24 CO -0.02 0.47 -0.09 -0.09 0.00 0.00 0.00 176.54 176.81 2pd6 h ARG 25 N 1.20 0.62 -0.83 4.80 2.43 -0.98 -2.23 114.38 119.39 2pd6 h ARG 25 Ca 0.32 -0.24 0.04 0.00 -0.81 0.00 0.00 59.98 59.29 2pd6 h ARG 25 Cb -0.12 -0.03 -0.05 0.00 -0.42 0.00 0.00 29.97 29.35 2pd6 h ARG 25 CO -0.07 0.81 0.53 0.00 -1.51 0.00 0.00 179.97 179.73 2pd6 h ALA 26 N 0.79 1.11 -0.42 2.80 0.00 -0.69 -1.05 119.26 121.80 2pd6 h ALA 26 Ca 0.08 -0.03 -0.03 0.00 0.00 0.00 0.00 54.91 54.93 2pd6 h ALA 26 Cb 0.59 -0.27 -0.02 0.00 0.00 0.00 0.00 17.79 18.10 2pd6 h ALA 26 CO 0.03 0.33 0.15 0.28 0.00 0.00 0.00 179.25 180.04 2pd6 h VAL 27 N 1.01 1.21 -0.56 0.00 2.07 -0.87 -0.79 116.25 118.32 2pd6 h VAL 27 Ca 0.34 -0.67 0.04 0.00 0.82 0.00 0.00 66.70 67.23 2pd6 h VAL 27 Cb 0.05 0.86 -0.04 0.00 -1.52 0.00 0.00 31.29 30.64 2pd6 h VAL 27 CO -0.13 0.24 0.32 0.28 0.02 0.00 0.00 177.57 178.30 2pd6 h SER 28 N 0.54 0.48 -0.68 0.57 0.02 -0.90 0.13 113.55 113.70 2pd6 h SER 28 Ca 0.14 0.02 -0.03 0.00 -0.84 0.00 0.00 61.79 61.07 2pd6 h SER 28 Cb 0.23 -0.08 -0.03 0.00 0.14 0.00 0.00 62.40 62.66 2pd6 h SER 28 CO -0.01 0.33 0.30 0.58 -1.14 0.00 0.00 176.83 176.89 2pd6 h VAL 29 N 0.61 1.24 -0.02 2.27 2.07 -0.99 -1.42 116.25 120.00 2pd6 h VAL 29 Ca 0.24 -0.70 -0.01 0.00 0.82 0.00 0.00 66.70 67.05 2pd6 h VAL 29 Cb 0.10 0.43 -0.00 0.00 -1.52 0.00 0.00 31.29 30.30 2pd6 h VAL 29 CO -0.14 0.28 -0.01 -0.09 0.02 0.00 0.00 177.57 177.63 2pd6 h ARG 30 N 0.96 0.04 -0.51 1.57 9.65 -0.50 -1.41 114.38 124.18 2pd6 h ARG 30 Ca 0.23 -0.02 0.01 0.00 -1.10 0.00 0.00 59.98 59.10 2pd6 h ARG 30 Cb 0.16 -0.00 -0.03 0.00 -1.39 0.00 0.00 29.97 28.72 2pd6 h ARG 30 CO -0.02 0.48 0.34 -0.07 2.80 0.00 0.00 179.97 183.49 2pd6 h LEU 31 N -0.40 0.58 -0.62 3.80 3.38 -0.76 -2.06 115.31 119.22 2pd6 h LEU 31 Ca 0.00 -0.01 0.07 0.00 0.09 0.00 0.00 57.88 58.03 2pd6 h LEU 31 Cb 0.47 -0.14 -0.06 0.00 0.09 0.00 0.00 40.66 41.02 2pd6 h LEU 31 CO 0.00 0.42 0.31 0.00 0.09 0.00 0.00 178.44 179.26 2pd6 h ALA 32 N 1.19 0.82 -0.02 1.53 0.00 -1.23 -1.07 119.26 120.49 2pd6 h ALA 32 Ca 0.19 0.04 0.01 0.00 0.00 0.00 0.00 54.91 55.14 2pd6 h ALA 32 Cb -0.07 -0.06 -0.00 0.00 0.00 0.00 0.00 17.79 17.66 2pd6 h ALA 32 CO -0.04 -0.05 0.02 0.78 0.00 0.00 0.00 179.25 179.96 2pd6 h GLY 33 N 0.57 0.00 -0.89 0.00 0.00 -0.59 -0.37 103.07 101.78 2pd6 h GLY 33 Ca 0.29 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.62 2pd6 h GLY 33 CO -0.21 0.00 0.00 1.18 0.00 0.00 0.00 176.54 177.51 2pd6 n GLU 34 N -3.77 1.82 0.00 4.80 1.02 -0.46 -4.94 120.64 119.11 2pd6 n GLU 34 Ca -0.03 -1.21 0.00 0.00 -0.02 0.00 0.00 57.16 55.91 2pd6 n GLU 34 Cb 0.11 -1.44 0.00 0.00 -0.02 0.00 0.00 31.44 30.09 2pd6 n GLU 34 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 2pd6 n GLY 35 N 1.19 0.77 3.81 0.62 0.00 -0.15 -2.56 105.19 108.88 2pd6 n GLY 35 Ca 0.17 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.87 2pd6 n GLY 35 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2pd6 s ALA 36 N -2.00 2.80 -0.06 4.61 0.00 -0.88 -3.98 121.76 122.25 2pd6 s ALA 36 Ca 0.00 0.35 -0.13 0.00 0.00 0.00 0.00 51.96 52.18 2pd6 s ALA 36 Cb 0.00 -3.21 -0.05 0.00 0.00 0.00 0.00 23.12 19.86 2pd6 s ALA 36 CO 0.00 -0.71 0.34 0.99 0.00 0.00 0.00 175.76 176.37 2pd6 s THR 37 N -2.49 5.19 -0.19 0.00 2.01 -0.30 -4.27 115.64 115.58 2pd6 s THR 37 Ca 0.63 0.66 -0.02 0.00 0.31 0.00 0.00 61.69 63.27 2pd6 s THR 37 Cb -0.15 -3.64 -0.00 0.00 0.01 0.00 0.00 72.50 68.72 2pd6 s THR 37 CO 0.36 0.53 -0.10 -0.69 -0.69 0.00 0.00 174.62 174.04 2pd6 s VAL 38 N -0.65 2.99 -0.52 3.82 1.01 -1.26 -0.74 120.40 125.04 2pd6 s VAL 38 Ca 0.21 -0.63 -0.23 0.00 0.00 0.00 0.00 61.98 61.32 2pd6 s VAL 38 Cb -0.15 -2.32 0.04 0.00 0.00 0.00 0.00 36.38 33.95 2pd6 s VAL 38 CO 0.09 0.47 0.86 0.00 0.00 0.00 0.00 175.10 176.52 2pd6 s ALA 39 N 1.20 3.23 -0.38 5.51 0.00 0.96 -2.18 121.76 130.10 2pd6 s ALA 39 Ca 0.02 -1.27 -0.15 0.00 0.00 0.00 0.00 51.96 50.56 2pd6 s ALA 39 Cb -0.14 -3.61 0.00 0.00 0.00 0.00 0.00 23.12 19.37 2pd6 s ALA 39 CO -0.04 -2.22 0.33 0.00 0.00 0.00 0.00 175.76 173.83 2pd6 s ALA 40 N 3.58 3.48 -0.07 0.00 0.00 -0.27 -1.18 121.76 127.30 2pd6 s ALA 40 Ca 0.28 -1.46 0.02 0.00 0.00 0.00 0.00 51.96 50.80 2pd6 s ALA 40 Cb -0.14 -2.85 -0.02 0.00 0.00 0.00 0.00 23.12 20.11 2pd6 s ALA 40 CO 0.19 -1.26 -0.13 0.00 0.00 0.00 0.00 175.76 174.56 2pd6 s ASP 42 N -0.44 -0.26 0.31 0.00 2.15 -0.71 -1.58 116.67 116.15 2pd6 s ASP 42 Ca 0.05 -0.14 0.00 0.00 0.43 0.00 0.00 52.55 52.90 2pd6 s ASP 42 Cb -0.12 0.44 0.50 0.00 -0.30 0.00 0.00 42.92 43.44 2pd6 s ASP 42 CO 0.02 -0.74 1.90 0.25 -0.17 0.00 0.00 175.17 176.43 2pd6 h LEU 43 N 2.74 0.75 -8.55 -1.34 5.85 -1.87 -2.63 115.31 110.25 2pd6 h LEU 43 Ca -0.32 -0.09 -0.65 0.00 0.84 0.00 0.00 57.88 57.66 2pd6 h LEU 43 Cb 1.23 -0.19 -0.15 0.00 0.37 0.00 0.00 40.66 41.92 2pd6 h LEU 43 CO 0.45 0.66 0.22 -0.62 -0.34 0.00 0.00 178.44 178.81 2pd6 s ASP 44 N -6.54 6.33 0.19 1.25 -1.08 -1.26 -4.71 116.67 110.85 2pd6 s ASP 44 Ca -0.10 -0.39 -0.12 0.00 -0.52 0.00 0.00 52.55 51.42 2pd6 s ASP 44 Cb 0.16 -2.34 0.10 0.00 -1.46 0.00 0.00 42.92 39.38 2pd6 s ASP 44 CO 0.78 -0.89 1.84 -0.09 0.52 0.00 0.00 175.17 177.34 2pd6 h ARG 45 N 8.98 0.85 -0.92 4.34 2.43 -1.91 -2.41 114.38 125.73 2pd6 h ARG 45 Ca -0.26 -0.07 0.04 0.00 -0.81 0.00 0.00 59.98 58.88 2pd6 h ARG 45 Cb 1.09 -0.18 -0.05 0.00 -0.42 0.00 0.00 29.97 30.40 2pd6 h ARG 45 CO 0.94 0.59 0.60 0.00 -1.51 0.00 0.00 179.97 180.60 2pd6 h ALA 46 N 1.21 1.22 -0.33 2.80 0.00 -1.96 -0.77 119.26 121.44 2pd6 h ALA 46 Ca 0.23 -0.04 -0.16 0.00 0.00 0.00 0.00 54.91 54.94 2pd6 h ALA 46 Cb -0.05 -0.32 -0.00 0.00 0.00 0.00 0.00 17.79 17.41 2pd6 h ALA 46 CO -0.05 0.46 -0.43 0.00 0.00 0.00 0.00 179.25 179.24 2pd6 h ALA 47 N 1.38 0.49 -0.78 0.00 0.00 -1.82 -1.22 119.26 117.31 2pd6 h ALA 47 Ca 0.37 -0.47 0.00 0.00 0.00 0.00 0.00 54.91 54.81 2pd6 h ALA 47 Cb 0.01 -0.10 -0.04 0.00 0.00 0.00 0.00 17.79 17.67 2pd6 h ALA 47 CO -0.12 0.63 0.49 0.00 0.00 0.00 0.00 179.25 180.25 2pd6 h ALA 48 N 0.72 1.00 -0.61 0.00 0.00 -1.25 -1.97 119.26 117.16 2pd6 h ALA 48 Ca 0.04 -0.08 -0.10 0.00 0.00 0.00 0.00 54.91 54.78 2pd6 h ALA 48 Cb 1.03 -0.32 -0.02 0.00 0.00 0.00 0.00 17.79 18.48 2pd6 h ALA 48 CO 0.10 0.44 0.00 1.96 0.00 0.00 0.00 179.25 181.76 2pd6 h GLN 49 N 1.07 1.07 -0.36 0.00 4.20 -0.93 -1.60 115.11 118.56 2pd6 h GLN 49 Ca 0.28 -0.34 -0.11 0.00 0.06 0.00 0.00 58.65 58.55 2pd6 h GLN 49 Cb -0.07 -0.10 -0.01 0.00 0.30 0.00 0.00 27.48 27.59 2pd6 h GLN 49 CO -0.06 1.04 -0.23 1.05 -0.67 0.00 0.00 178.83 179.96 2pd6 h GLU 50 N 0.97 0.70 -0.66 1.46 9.09 -1.12 -1.11 114.58 123.92 2pd6 h GLU 50 Ca 0.17 -0.28 0.06 0.00 0.05 0.00 0.00 59.36 59.37 2pd6 h GLU 50 Cb 0.56 -0.03 -0.06 0.00 -1.65 0.00 0.00 28.75 27.56 2pd6 h GLU 50 CO 0.03 0.87 0.35 1.15 0.05 0.00 0.00 179.01 181.46 2pd6 h THR 51 N 0.61 0.95 -0.67 -1.06 2.02 -1.07 -0.19 112.91 113.50 2pd6 h THR 51 Ca 0.09 -0.22 -0.04 0.00 0.77 0.00 0.00 66.41 67.00 2pd6 h THR 51 Cb 0.72 0.24 -0.03 0.00 -1.74 0.00 0.00 68.15 67.34 2pd6 h THR 51 CO 0.06 0.12 0.25 0.58 0.37 0.00 0.00 175.52 176.89 2pd6 h VAL 52 N 0.65 1.25 -0.56 3.16 2.07 -0.68 -1.13 116.25 121.01 2pd6 h VAL 52 Ca 0.30 -0.80 -0.00 0.00 0.82 0.00 0.00 66.70 67.02 2pd6 h VAL 52 Cb 0.21 0.50 -0.03 0.00 -1.52 0.00 0.00 31.29 30.45 2pd6 h VAL 52 CO -0.19 0.31 0.34 -0.09 0.02 0.00 0.00 177.57 177.96 2pd6 h ARG 53 N 0.96 0.75 0.00 1.57 2.43 -0.70 -2.31 114.38 117.08 2pd6 h ARG 53 Ca 0.22 -0.06 -0.03 0.00 -0.81 0.00 0.00 59.98 59.30 2pd6 h ARG 53 Cb 0.24 -0.16 -0.00 0.00 -0.42 0.00 0.00 29.97 29.63 2pd6 h ARG 53 CO -0.01 0.52 -0.16 -0.07 -1.51 0.00 0.00 179.97 178.74 2pd6 h LEU 54 N 0.76 0.00 0.00 3.80 3.38 0.14 -3.51 115.31 119.88 2pd6 h LEU 54 Ca 0.20 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.17 2pd6 h LEU 54 Cb -0.04 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.71 2pd6 h LEU 54 CO -0.04 0.16 0.00 0.18 0.09 0.00 0.00 178.44 178.83 2pd6 n LEU 55 N -3.26 0.00 -3.37 1.67 4.77 -0.65 -5.07 117.00 111.09 2pd6 n LEU 55 Ca 0.01 0.00 -0.23 0.00 -0.03 0.00 0.00 56.01 55.76 2pd6 n LEU 55 Cb 0.43 0.00 0.06 0.00 -2.33 0.00 0.00 43.42 41.58 2pd6 n LEU 55 CO 0.32 0.00 0.16 0.61 -1.33 0.00 0.00 177.39 177.15 2pd6 n GLY 67 N 3.88 -0.53 3.44 -0.72 0.00 -1.26 -5.05 105.19 104.95 2pd6 n GLY 67 Ca 0.00 0.21 -0.44 0.00 0.00 0.00 0.00 46.02 45.79 2pd6 n GLY 67 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2pd6 s ASN 68 N -3.11 7.10 0.46 1.61 4.22 -1.26 -4.97 114.94 119.00 2pd6 s ASN 68 Ca 0.49 -3.07 -0.23 0.00 -2.14 0.00 0.00 52.86 47.91 2pd6 s ASN 68 Cb -0.21 -2.37 -0.07 0.00 1.28 0.00 0.00 41.25 39.88 2pd6 s ASN 68 CO 0.60 -0.67 1.18 -1.00 -2.04 0.00 0.00 177.10 175.17 2pd6 s HIS 69 N 1.10 2.85 0.01 1.54 3.76 -1.26 -4.82 115.29 118.47 2pd6 s HIS 69 Ca 0.40 1.53 -0.01 0.00 -0.15 0.00 0.00 55.06 56.83 2pd6 s HIS 69 Cb -0.04 -3.41 -0.01 0.00 1.11 0.00 0.00 32.58 30.22 2pd6 s HIS 69 CO -0.02 -1.59 -0.00 0.00 -0.85 0.00 0.00 174.74 172.28 2pd6 s ALA 70 N -1.52 0.04 -0.13 -1.40 0.00 -0.92 -5.02 121.76 112.81 2pd6 s ALA 70 Ca 0.64 -0.44 -0.06 0.00 0.00 0.00 0.00 51.96 52.11 2pd6 s ALA 70 Cb -0.30 0.12 -0.04 0.00 0.00 0.00 0.00 23.12 22.90 2pd6 s ALA 70 CO 0.36 -0.14 0.07 0.00 0.00 0.00 0.00 175.76 176.05 2pd6 s ALA 71 N -1.21 3.53 -0.01 0.00 0.00 -1.26 -1.12 121.76 121.69 2pd6 s ALA 71 Ca -0.13 -0.73 0.05 0.00 0.00 0.00 0.00 51.96 51.15 2pd6 s ALA 71 Cb -0.08 -1.81 -0.01 0.00 0.00 0.00 0.00 23.12 21.22 2pd6 s ALA 71 CO -0.01 0.45 -0.16 -0.06 0.00 0.00 0.00 175.76 175.98 2pd6 s PHE 72 N -0.47 1.39 -0.15 0.00 0.08 0.16 -4.94 117.98 114.06 2pd6 s PHE 72 Ca 0.10 -0.27 -0.07 0.00 0.12 0.00 0.00 56.93 56.81 2pd6 s PHE 72 Cb -0.12 -0.89 -0.04 0.00 -0.57 0.00 0.00 43.02 41.40 2pd6 s PHE 72 CO 0.02 -0.01 0.07 -1.14 -0.10 0.00 0.00 175.22 174.06 2pd6 s GLN 73 N -0.46 3.72 -0.21 0.44 -0.44 -1.26 -1.73 119.66 119.71 2pd6 s GLN 73 Ca 0.06 -0.30 -0.27 0.00 -2.50 0.00 0.00 55.36 52.35 2pd6 s GLN 73 Cb -0.06 -3.16 0.08 0.00 -1.64 0.00 0.00 33.01 28.23 2pd6 s GLN 73 CO -0.00 0.46 0.75 0.00 0.50 0.00 0.00 175.29 177.00 2pd6 s ALA 74 N -0.14 -1.80 -0.47 1.58 0.00 -0.99 -4.93 121.76 115.00 2pd6 s ALA 74 Ca 0.08 1.82 -0.18 0.00 0.00 0.00 0.00 51.96 53.68 2pd6 s ALA 74 Cb -0.12 -0.90 0.05 0.00 0.00 0.00 0.00 23.12 22.16 2pd6 s ALA 74 CO 0.01 -0.33 0.51 0.34 0.00 0.00 0.00 175.76 176.29 2pd6 s ASP 75 N -0.09 6.20 0.33 0.00 -1.08 -1.26 -3.36 116.67 117.41 2pd6 s ASP 75 Ca -0.02 -0.96 0.26 0.00 -0.52 0.00 0.00 52.55 51.31 2pd6 s ASP 75 Cb -0.04 -2.24 1.07 0.00 -1.46 0.00 0.00 42.92 40.25 2pd6 s ASP 75 CO 0.02 -0.74 1.78 -0.37 0.52 0.00 0.00 175.17 176.39 2pd6 h VAL 76 N 5.80 0.00 0.00 1.11 -1.51 -1.94 -2.28 116.25 117.43 2pd6 h VAL 76 Ca -0.27 -0.30 0.00 0.00 -1.23 0.00 0.00 66.70 64.89 2pd6 h VAL 76 Cb 1.10 1.10 0.00 0.00 -2.13 0.00 0.00 31.29 31.37 2pd6 h VAL 76 CO 0.89 0.00 0.00 -1.54 -1.23 0.00 0.00 177.57 175.69 2pd6 n SER 77 N -2.44 0.62 -4.70 4.19 3.41 -1.26 -4.20 113.62 109.24 2pd6 n SER 77 Ca 0.02 0.60 -0.37 0.00 -0.26 0.00 0.00 58.87 58.86 2pd6 n SER 77 Cb 0.25 -0.75 -0.07 0.00 -0.26 0.00 0.00 64.21 63.37 2pd6 n SER 77 CO 0.00 0.00 0.00 -1.61 -0.16 0.00 0.00 175.04 173.27 2pd6 s GLU 78 N -3.17 4.21 0.20 4.33 2.02 -0.86 -4.74 118.70 120.69 2pd6 s GLU 78 Ca 0.08 0.10 -0.11 0.00 0.02 0.00 0.00 54.97 55.06 2pd6 s GLU 78 Cb 0.11 -3.48 0.16 0.00 0.10 0.00 0.00 34.13 31.03 2pd6 s GLU 78 CO 0.48 0.12 1.86 0.00 0.02 0.00 0.00 175.26 177.74 2pd6 h ALA 79 N 7.01 0.88 -0.38 5.21 0.00 -1.87 -1.88 119.26 128.23 2pd6 h ALA 79 Ca -0.39 -0.03 -0.08 0.00 0.00 0.00 0.00 54.91 54.41 2pd6 h ALA 79 Cb 1.16 -0.25 -0.02 0.00 0.00 0.00 0.00 17.79 18.69 2pd6 h ALA 79 CO 0.73 0.24 -0.09 0.00 0.00 0.00 0.00 179.25 180.13 2pd6 h ARG 80 N 0.88 0.65 -0.06 0.00 3.08 -1.94 -2.36 114.38 114.62 2pd6 h ARG 80 Ca 0.27 -0.19 -0.14 0.00 0.07 0.00 0.00 59.98 59.98 2pd6 h ARG 80 Cb -0.04 -0.07 -0.01 0.00 0.08 0.00 0.00 29.97 29.94 2pd6 h ARG 80 CO -0.08 0.74 -0.60 0.00 -1.07 0.00 0.00 179.97 178.95 2pd6 h ALA 81 N 1.30 0.87 -0.12 0.04 0.00 -1.72 -1.53 119.26 118.10 2pd6 h ALA 81 Ca 0.11 -0.54 -0.16 0.00 0.00 0.00 0.00 54.91 54.32 2pd6 h ALA 81 Cb 0.52 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.21 2pd6 h ALA 81 CO 0.03 0.73 -0.60 0.00 0.00 0.00 0.00 179.25 179.41 2pd6 h ALA 82 N 1.22 0.75 0.02 0.00 0.00 -1.13 -0.48 119.26 119.65 2pd6 h ALA 82 Ca -0.01 -0.54 -0.18 0.00 0.00 0.00 0.00 54.91 54.19 2pd6 h ALA 82 Cb 1.10 -0.08 0.02 0.00 0.00 0.00 0.00 17.79 18.82 2pd6 h ALA 82 CO 0.09 0.71 -0.71 -0.09 0.00 0.00 0.00 179.25 179.26 2pd6 h ARG 83 N 0.30 0.44 -0.77 0.00 2.43 -1.39 -3.18 114.38 112.20 2pd6 h ARG 83 Ca -0.00 -0.50 0.03 0.00 -0.81 0.00 0.00 59.98 58.70 2pd6 h ARG 83 Cb 1.13 0.15 -0.05 0.00 -0.42 0.00 0.00 29.97 30.78 2pd6 h ARG 83 CO 0.10 1.16 0.49 0.00 -1.51 0.00 0.00 179.97 180.21 2pd6 h LEU 85 N 0.95 -0.58 -0.85 0.00 5.85 -1.14 0.19 115.31 119.73 2pd6 h LEU 85 Ca 0.31 0.14 -0.11 0.00 0.84 0.00 0.00 57.88 59.06 2pd6 h LEU 85 Cb 0.02 0.32 -0.01 0.00 0.37 0.00 0.00 40.66 41.35 2pd6 h LEU 85 CO -0.11 -0.21 -0.32 -0.07 -0.34 0.00 0.00 178.44 177.39 2pd6 h LEU 86 N -0.12 0.49 -0.61 2.25 -0.00 -1.46 -0.68 115.31 115.18 2pd6 h LEU 86 Ca 0.18 -0.19 -0.11 0.00 -0.00 0.00 0.00 57.88 57.76 2pd6 h LEU 86 Cb 0.39 -0.14 -0.02 0.00 -0.00 0.00 0.00 40.66 40.89 2pd6 h LEU 86 CO -0.42 0.79 -0.12 -0.33 -0.00 0.00 0.00 178.44 178.36 2pd6 h GLU 87 N 0.41 0.97 -0.61 1.13 4.39 -0.78 -1.45 114.58 118.64 2pd6 h GLU 87 Ca 0.05 -0.36 -0.06 0.00 0.34 0.00 0.00 59.36 59.34 2pd6 h GLU 87 Cb 0.77 -0.06 -0.03 0.00 -0.10 0.00 0.00 28.75 29.33 2pd6 h GLU 87 CO 0.06 1.03 0.16 1.96 -1.16 0.00 0.00 179.01 181.06 2pd6 h GLN 88 N 0.87 0.97 0.11 2.33 4.20 -0.07 0.22 115.11 123.74 2pd6 h GLN 88 Ca 0.13 -0.23 -0.01 0.00 0.06 0.00 0.00 58.65 58.61 2pd6 h GLN 88 Cb 0.67 -0.13 0.00 0.00 0.30 0.00 0.00 27.48 28.32 2pd6 h GLN 88 CO 0.05 0.88 -0.05 0.28 -0.67 0.00 0.00 178.83 179.31 2pd6 h VAL 89 N 0.89 0.97 -0.88 -0.54 2.07 -1.03 -0.57 116.25 117.16 2pd6 h VAL 89 Ca 0.19 -0.30 -0.01 0.00 0.82 0.00 0.00 66.70 67.40 2pd6 h VAL 89 Cb 0.33 1.16 -0.04 0.00 -1.52 0.00 0.00 31.29 31.22 2pd6 h VAL 89 CO -0.00 0.07 0.50 1.56 0.02 0.00 0.00 177.57 179.72 2pd6 h GLN 90 N -0.28 1.22 -0.64 1.57 4.20 -1.19 -0.06 115.11 119.93 2pd6 h GLN 90 Ca -0.01 -0.13 -0.04 0.00 0.06 0.00 0.00 58.65 58.53 2pd6 h GLN 90 Cb 0.23 -0.25 -0.03 0.00 0.30 0.00 0.00 27.48 27.74 2pd6 h GLN 90 CO 0.02 0.88 0.24 0.00 -0.67 0.00 0.00 178.83 179.31 2pd6 h ALA 91 N 1.32 1.22 -0.08 3.87 0.00 -0.83 0.28 119.26 125.03 2pd6 h ALA 91 Ca 0.31 -0.17 -0.24 0.00 0.00 0.00 0.00 54.91 54.81 2pd6 h ALA 91 Cb 0.00 -0.26 0.01 0.00 0.00 0.00 0.00 17.79 17.55 2pd6 h ALA 91 CO -0.05 0.57 -0.90 0.00 0.00 0.00 0.00 179.25 178.86 2pd6 n PHE 93 N -3.89 0.00 -1.21 0.00 3.72 -0.09 -4.99 117.46 111.00 2pd6 n PHE 93 Ca -0.09 0.00 -0.07 0.00 -0.05 0.00 0.00 57.45 57.24 2pd6 n PHE 93 Cb 0.81 0.00 -0.03 0.00 -0.94 0.00 0.00 39.48 39.32 2pd6 n PHE 93 CO 0.00 0.00 0.00 0.43 -0.05 0.00 0.00 176.76 177.14 2pd6 n SER 94 N -0.27 -5.40 -3.72 4.37 7.64 0.97 -4.94 113.62 112.27 2pd6 n SER 94 Ca 0.04 0.18 -0.14 0.00 1.01 0.00 0.00 58.87 59.96 2pd6 n SER 94 Cb 0.23 -3.53 -0.09 0.00 -1.01 0.00 0.00 64.21 59.82 2pd6 n SER 94 CO 0.00 0.00 0.00 -0.13 -3.01 0.00 0.00 175.04 171.90 2pd6 s ARG 95 N -2.42 0.67 0.53 1.43 3.00 -1.23 -5.03 118.95 115.89 2pd6 s ARG 95 Ca 0.00 0.13 -0.18 0.00 0.00 0.00 0.00 55.73 55.67 2pd6 s ARG 95 Cb 0.00 0.31 -0.07 0.00 0.00 0.00 0.00 34.95 35.19 2pd6 s ARG 95 CO 0.00 -0.16 1.05 -1.25 0.00 0.00 0.00 175.30 174.93 2pd6 s PRO 96 N -0.80 3.61 0.16 3.54 0.04 -1.26 -4.10 135.00 136.19 2pd6 s PRO 96 Ca -0.09 1.30 -0.31 0.00 0.04 0.00 0.00 61.00 61.95 2pd6 s PRO 96 Cb -0.04 -2.07 -0.08 0.00 0.04 0.00 0.00 34.50 32.35 2pd6 s PRO 96 CO 0.04 -0.58 1.34 -1.25 0.04 0.00 0.00 177.00 176.59 2pd6 s PRO 97 N -3.57 4.36 0.05 0.56 0.04 -1.26 -4.86 135.00 130.31 2pd6 s PRO 97 Ca 0.66 2.07 0.23 0.00 0.04 0.00 0.00 61.00 63.99 2pd6 s PRO 97 Cb -0.16 -3.21 0.01 0.00 0.04 0.00 0.00 34.50 31.18 2pd6 s PRO 97 CO 0.27 -0.33 0.99 -1.13 0.04 0.00 0.00 177.00 176.83 2pd6 n SER 98 N 3.17 0.60 -4.14 6.66 3.41 -0.09 -4.75 113.62 118.48 2pd6 n SER 98 Ca 0.08 -0.19 -0.31 0.00 -0.26 0.00 0.00 58.87 58.19 2pd6 n SER 98 Cb 0.43 0.86 -0.17 0.00 -0.26 0.00 0.00 64.21 65.07 2pd6 n SER 98 CO 0.00 0.00 0.00 -0.69 -0.16 0.00 0.00 175.04 174.19 2pd6 s VAL 99 N -3.22 1.87 -0.09 -3.33 1.01 -1.09 -0.43 120.40 115.12 2pd6 s VAL 99 Ca 0.03 -0.87 -0.00 0.00 0.00 0.00 0.00 61.98 61.13 2pd6 s VAL 99 Cb 0.14 -1.66 0.02 0.00 0.00 0.00 0.00 36.38 34.88 2pd6 s VAL 99 CO 0.81 0.51 -0.07 -0.69 0.00 0.00 0.00 175.10 175.67 2pd6 s VAL 100 N 0.79 0.88 -0.21 2.92 1.01 -0.66 -0.90 120.40 124.24 2pd6 s VAL 100 Ca -0.09 -0.23 0.02 0.00 0.00 0.00 0.00 61.98 61.68 2pd6 s VAL 100 Cb -0.16 -0.91 0.04 0.00 0.00 0.00 0.00 36.38 35.36 2pd6 s VAL 100 CO -0.00 0.33 -0.14 -0.69 0.00 0.00 0.00 175.10 174.60 2pd6 s VAL 101 N 1.53 1.98 -0.64 2.92 1.01 -0.32 -0.33 120.40 126.55 2pd6 s VAL 101 Ca 0.01 -1.21 -0.19 0.00 0.00 0.00 0.00 61.98 60.59 2pd6 s VAL 101 Cb -0.13 -1.97 0.11 0.00 0.00 0.00 0.00 36.38 34.39 2pd6 s VAL 101 CO -0.05 0.23 0.76 -0.44 0.00 0.00 0.00 175.10 175.59 2pd6 s SER 102 N 1.25 6.27 0.00 3.32 0.01 -0.28 -1.76 113.70 122.51 2pd6 s SER 102 Ca -0.02 -1.57 0.14 0.00 1.31 0.00 0.00 55.95 55.81 2pd6 s SER 102 Cb -0.16 -2.31 0.05 0.00 0.21 0.00 0.00 66.02 63.81 2pd6 s SER 102 CO -0.09 -1.08 0.85 0.00 0.41 0.00 0.00 173.24 173.33 2pd6 s ALA 104 N -1.45 3.53 -0.22 0.00 0.00 -1.22 -4.59 121.76 117.80 2pd6 s ALA 104 Ca 0.14 1.02 -0.30 0.00 0.00 0.00 0.00 51.96 52.82 2pd6 s ALA 104 Cb 0.11 -3.51 0.16 0.00 0.00 0.00 0.00 23.12 19.88 2pd6 s ALA 104 CO 0.27 -0.58 1.19 0.20 0.00 0.00 0.00 175.76 176.83 2pd6 s GLY 105 N 1.14 -0.09 0.12 0.00 0.00 -1.26 -4.65 107.32 102.59 2pd6 s GLY 105 Ca 0.63 2.43 -0.05 0.00 0.00 0.00 0.00 44.72 47.73 2pd6 s GLY 105 CO 0.30 1.06 0.14 -0.26 0.00 0.00 0.00 173.10 174.33 2pd6 s ILE 106 N -1.09 0.12 0.04 0.90 -4.36 -1.26 -5.05 121.20 110.49 2pd6 s ILE 106 Ca 0.04 -1.60 0.08 0.00 -0.26 0.00 0.00 60.65 58.91 2pd6 s ILE 106 Cb -0.01 -1.78 -0.03 0.00 1.25 0.00 0.00 42.46 41.90 2pd6 s ILE 106 CO -0.03 -0.52 -0.22 0.42 0.24 0.00 0.00 174.94 174.82 2pd6 s THR 107 N -3.97 1.81 -0.45 8.37 -4.23 -1.26 -4.94 115.64 110.97 2pd6 s THR 107 Ca 0.16 -1.22 0.04 0.00 -1.18 0.00 0.00 61.69 59.48 2pd6 s THR 107 Cb 0.06 -1.55 0.16 0.00 1.34 0.00 0.00 72.50 72.51 2pd6 s THR 107 CO -0.03 0.28 0.34 -1.58 -0.54 0.00 0.00 174.62 173.10 2pd6 s GLN 108 N -1.12 1.11 0.26 3.99 0.74 -1.26 -5.07 119.66 118.31 2pd6 s GLN 108 Ca 0.09 -2.20 -0.29 0.00 0.05 0.00 0.00 55.36 53.00 2pd6 s GLN 108 Cb -0.09 -1.74 -0.09 0.00 1.10 0.00 0.00 33.01 32.18 2pd6 s GLN 108 CO 0.02 -1.34 1.25 -0.51 -0.55 0.00 0.00 175.29 174.15 2pd6 s ASP 109 N -0.03 6.96 -0.13 6.67 1.01 -1.26 -4.86 116.67 125.03 2pd6 s ASP 109 Ca 0.29 2.46 -0.30 0.00 0.71 0.00 0.00 52.55 55.71 2pd6 s ASP 109 Cb -0.02 -2.63 0.11 0.00 1.01 0.00 0.00 42.92 41.40 2pd6 s ASP 109 CO -0.16 -0.43 0.93 -0.70 0.21 0.00 0.00 175.17 175.02 2pd6 s GLU 110 N -1.02 0.70 0.43 8.23 2.56 -0.36 -5.03 118.70 124.21 2pd6 s GLU 110 Ca 0.51 0.12 -0.26 0.00 0.00 0.00 0.00 54.97 55.34 2pd6 s GLU 110 Cb -0.36 0.33 -0.09 0.00 2.00 0.00 0.00 34.13 36.00 2pd6 s GLU 110 CO 0.44 -0.23 1.46 1.19 -0.56 0.00 0.00 175.26 177.56 2pd6 n PHE 111 N 0.67 2.83 -0.35 5.30 0.99 -1.26 -4.23 117.46 121.42 2pd6 n PHE 111 Ca -0.12 0.44 0.17 0.00 -0.00 0.00 0.00 57.45 57.94 2pd6 n PHE 111 Cb 0.58 -2.49 0.39 0.00 -1.00 0.00 0.00 39.48 36.96 2pd6 n PHE 111 CO 0.00 0.00 0.00 1.25 -0.00 0.00 0.00 176.76 178.01 2pd6 h LEU 112 N 2.52 0.68 -1.86 4.37 5.85 -1.97 0.69 115.31 125.59 2pd6 h LEU 112 Ca -0.51 0.13 0.00 0.00 0.84 0.00 0.00 57.88 58.34 2pd6 h LEU 112 Cb 1.26 0.03 0.00 0.00 0.37 0.00 0.00 40.66 42.32 2pd6 h LEU 112 CO 0.62 0.11 0.00 -0.07 -0.34 0.00 0.00 178.44 178.76 2pd6 h LEU 113 N 0.59 0.00 -2.04 2.25 3.38 -2.05 -3.09 115.31 114.35 2pd6 h LEU 113 Ca 0.64 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.61 2pd6 h LEU 113 Cb 1.21 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.96 2pd6 h LEU 113 CO -0.47 0.00 0.00 1.41 0.09 0.00 0.00 178.44 179.47 2pd6 n HIS 114 N -2.96 0.00 -2.59 1.13 8.25 0.15 -5.06 115.22 114.14 2pd6 n HIS 114 Ca -0.00 -0.26 -0.42 0.00 -0.26 0.00 0.00 57.72 56.77 2pd6 n HIS 114 Cb 0.21 -0.03 -0.03 0.00 1.12 0.00 0.00 29.99 31.27 2pd6 n HIS 114 CO 0.00 0.00 0.00 1.41 0.64 0.00 0.00 176.34 178.39 2pd6 s MET 115 N -0.53 4.41 0.72 -0.41 0.00 -0.70 -4.93 119.30 117.87 2pd6 s MET 115 Ca 0.00 1.52 -0.11 0.00 0.00 0.00 0.00 55.69 57.10 2pd6 s MET 115 Cb 0.00 -3.53 0.02 0.00 0.00 0.00 0.00 34.83 31.33 2pd6 s MET 115 CO 0.00 -0.34 1.07 -1.54 0.00 0.00 0.00 175.02 174.22 2pd6 s SER 116 N 1.23 5.18 0.26 1.11 1.04 -1.26 -4.91 113.70 116.35 2pd6 s SER 116 Ca 0.52 1.42 -0.03 0.00 0.48 0.00 0.00 55.95 58.35 2pd6 s SER 116 Cb -0.21 -2.26 0.34 0.00 0.10 0.00 0.00 66.02 63.99 2pd6 s SER 116 CO 0.21 -1.55 1.81 -0.08 0.98 0.00 0.00 173.24 174.62 2pd6 h GLU 117 N -0.79 0.92 -0.85 4.02 4.81 -2.00 -2.47 114.58 118.21 2pd6 h GLU 117 Ca -0.45 -0.18 -0.03 0.00 -0.13 0.00 0.00 59.36 58.57 2pd6 h GLU 117 Cb 1.23 -0.14 -0.04 0.00 0.63 0.00 0.00 28.75 30.43 2pd6 h GLU 117 CO 0.59 0.80 0.42 -0.44 -0.73 0.00 0.00 179.01 179.65 2pd6 h ASP 118 N 0.89 1.10 -0.54 1.04 3.32 -1.98 -0.09 116.42 120.16 2pd6 h ASP 118 Ca 0.20 -0.13 -0.09 0.00 0.02 0.00 0.00 57.03 57.04 2pd6 h ASP 118 Cb 0.27 -0.28 -0.02 0.00 0.22 0.00 0.00 39.33 39.52 2pd6 h ASP 118 CO -0.01 0.92 0.00 0.44 -1.72 0.00 0.00 179.24 178.88 2pd6 h ASP 119 N 1.21 0.93 0.33 6.45 3.32 -1.85 -1.19 116.42 125.63 2pd6 h ASP 119 Ca 0.29 -0.31 -0.02 0.00 0.02 0.00 0.00 57.03 57.02 2pd6 h ASP 119 Cb 0.10 -0.25 0.00 0.00 0.22 0.00 0.00 39.33 39.40 2pd6 h ASP 119 CO -0.04 1.01 -0.16 -0.25 -1.72 0.00 0.00 179.24 178.08 2pd6 h TRP 120 N 0.83 -0.41 -0.55 4.55 2.91 -1.29 -3.25 115.95 118.73 2pd6 h TRP 120 Ca 0.15 -0.01 0.03 0.00 1.13 0.00 0.00 58.89 60.20 2pd6 h TRP 120 Cb 0.53 0.14 -0.04 0.00 -0.51 0.00 0.00 29.16 29.28 2pd6 h TRP 120 CO 0.04 -0.11 0.31 -0.44 -1.03 0.00 0.00 178.44 177.21 2pd6 h ASP 121 N -0.70 0.49 -0.25 2.65 3.32 -0.88 -1.72 116.42 119.33 2pd6 h ASP 121 Ca -0.05 0.01 -0.00 0.00 0.02 0.00 0.00 57.03 57.01 2pd6 h ASP 121 Cb 0.49 -0.09 -0.01 0.00 0.22 0.00 0.00 39.33 39.94 2pd6 h ASP 121 CO 0.07 0.34 0.14 0.50 -1.72 0.00 0.00 179.24 178.57 2pd6 h LYS 122 N 0.61 0.35 -0.60 3.56 1.63 -1.36 -0.20 116.57 120.56 2pd6 h LYS 122 Ca 0.23 -0.04 -0.05 0.00 -0.85 0.00 0.00 60.65 59.94 2pd6 h LYS 122 Cb 0.07 -0.07 -0.03 0.00 -0.60 0.00 0.00 32.23 31.61 2pd6 h LYS 122 CO -0.12 0.30 0.18 0.28 -3.45 0.00 0.00 179.45 176.64 2pd6 h VAL 123 N 0.30 1.24 -0.39 2.00 2.07 -1.54 -1.65 116.25 118.28 2pd6 h VAL 123 Ca 0.09 -0.84 -0.05 0.00 0.82 0.00 0.00 66.70 66.72 2pd6 h VAL 123 Cb 0.06 0.65 -0.01 0.00 -1.52 0.00 0.00 31.29 30.46 2pd6 h VAL 123 CO -0.01 0.32 0.05 0.40 0.02 0.00 0.00 177.57 178.34 2pd6 h ILE 124 N 0.85 1.25 -0.52 4.57 1.08 -1.20 -1.80 117.51 121.74 2pd6 h ILE 124 Ca 0.19 -0.90 -0.01 0.00 -0.39 0.00 0.00 64.86 63.76 2pd6 h ILE 124 Cb 0.30 1.08 -0.02 0.00 -3.07 0.00 0.00 36.82 35.10 2pd6 h ILE 124 CO -0.01 0.30 0.29 0.00 -0.69 0.00 0.00 178.15 178.05 2pd6 h ALA 125 N 0.91 0.66 0.08 1.87 0.00 -0.77 -1.08 119.26 120.92 2pd6 h ALA 125 Ca 0.12 -0.08 -0.00 0.00 0.00 0.00 0.00 54.91 54.94 2pd6 h ALA 125 Cb 0.39 -0.21 0.00 0.00 0.00 0.00 0.00 17.79 17.98 2pd6 h ALA 125 CO 0.01 0.17 -0.04 0.28 0.00 0.00 0.00 179.25 179.68 2pd6 h VAL 126 N 0.69 0.92 -0.02 0.00 2.07 -1.33 0.53 116.25 119.12 2pd6 h VAL 126 Ca 0.18 -1.46 -0.25 0.00 0.82 0.00 0.00 66.70 66.00 2pd6 h VAL 126 Cb 0.03 1.66 0.01 0.00 -1.52 0.00 0.00 31.29 31.48 2pd6 h VAL 126 CO -0.03 0.28 -0.99 0.78 0.02 0.00 0.00 177.57 177.64 2pd6 h ASN 127 N -0.93 0.81 0.00 0.57 2.35 -1.37 -3.01 115.58 113.99 2pd6 h ASN 127 Ca -0.01 -0.63 -0.19 0.00 -0.55 0.00 0.00 56.30 54.92 2pd6 h ASN 127 Cb 0.54 -0.25 -0.03 0.00 0.05 0.00 0.00 38.32 38.64 2pd6 h ASN 127 CO 0.02 1.43 -1.52 -0.11 -1.65 0.00 0.00 177.43 175.59 2pd6 n LEU 128 N -3.83 1.69 -0.15 1.61 7.94 -0.60 -3.83 117.00 119.83 2pd6 n LEU 128 Ca -0.09 0.29 -0.09 0.00 -1.11 0.00 0.00 56.01 55.00 2pd6 n LEU 128 Cb 0.85 -0.67 -0.01 0.00 0.53 0.00 0.00 43.42 44.13 2pd6 n LEU 128 CO 0.54 0.05 0.87 0.50 -1.11 0.00 0.00 177.39 178.23 2pd6 h LYS 129 N -0.81 0.68 -0.39 1.96 3.64 -1.24 -1.58 116.57 118.83 2pd6 h LYS 129 Ca -0.28 -0.17 0.04 0.00 -1.27 0.00 0.00 60.65 58.97 2pd6 h LYS 129 Cb 1.15 -0.09 -0.04 0.00 -0.41 0.00 0.00 32.23 32.84 2pd6 h LYS 129 CO -0.17 0.70 0.17 0.78 -2.27 0.00 0.00 179.45 178.66 2pd6 h GLY 130 N 0.55 0.52 1.25 5.01 0.00 -0.74 0.01 103.07 109.67 2pd6 h GLY 130 Ca 0.13 -0.11 -0.04 0.00 0.00 0.00 0.00 47.33 47.32 2pd6 h GLY 130 CO 0.00 0.07 0.26 -0.84 0.00 0.00 0.00 176.54 176.03 2pd6 h THR 131 N 0.35 1.23 -0.07 4.70 2.02 -1.64 -2.00 112.91 117.49 2pd6 h THR 131 Ca 0.17 -0.71 0.00 0.00 0.77 0.00 0.00 66.41 66.65 2pd6 h THR 131 Cb 0.12 0.44 -0.01 0.00 -1.74 0.00 0.00 68.15 66.96 2pd6 h THR 131 CO -0.15 0.29 0.03 0.15 0.37 0.00 0.00 175.52 176.21 2pd6 h PHE 132 N 0.94 0.06 -0.46 3.16 3.57 -0.73 -1.50 116.94 121.97 2pd6 h PHE 132 Ca 0.22 0.00 -0.10 0.00 3.53 0.00 0.00 57.97 61.63 2pd6 h PHE 132 Cb 0.18 -0.02 -0.02 0.00 2.79 0.00 0.00 35.95 38.89 2pd6 h PHE 132 CO 0.01 0.03 -0.11 -0.07 -2.23 0.00 0.00 178.31 175.95 2pd6 h LEU 133 N 0.07 0.84 -0.05 0.59 3.38 -0.75 0.52 115.31 119.91 2pd6 h LEU 133 Ca 0.03 -0.26 -0.22 0.00 0.09 0.00 0.00 57.88 57.53 2pd6 h LEU 133 Cb 0.01 -0.23 0.01 0.00 0.09 0.00 0.00 40.66 40.55 2pd6 h LEU 133 CO -0.02 0.96 -0.81 0.58 0.09 0.00 0.00 178.44 179.24 2pd6 h VAL 134 N 0.76 1.32 -0.25 1.22 2.07 -1.41 0.32 116.25 120.29 2pd6 h VAL 134 Ca 0.13 -2.09 0.04 0.00 0.82 0.00 0.00 66.70 65.60 2pd6 h VAL 134 Cb 0.61 2.31 -0.04 0.00 -1.52 0.00 0.00 31.29 32.66 2pd6 h VAL 134 CO 0.04 0.64 0.03 0.74 0.02 0.00 0.00 177.57 179.04 2pd6 h THR 135 N 0.28 0.86 -0.14 2.57 2.02 -1.13 0.47 112.91 117.83 2pd6 h THR 135 Ca -0.09 -0.04 -0.00 0.00 0.77 0.00 0.00 66.41 67.05 2pd6 h THR 135 Cb 1.47 0.73 -0.01 0.00 -1.74 0.00 0.00 68.15 68.61 2pd6 h THR 135 CO 0.16 0.02 0.08 -0.61 0.37 0.00 0.00 175.52 175.54 2pd6 h GLN 136 N 0.11 0.20 -0.62 6.66 4.15 -0.86 -1.17 115.11 123.57 2pd6 h GLN 136 Ca 0.12 -0.02 -0.09 0.00 0.77 0.00 0.00 58.65 59.42 2pd6 h GLN 136 Cb 0.13 -0.04 -0.02 0.00 0.21 0.00 0.00 27.48 27.76 2pd6 h GLN 136 CO -0.17 0.21 0.02 0.00 -1.93 0.00 0.00 178.83 176.96 2pd6 h ALA 137 N 0.98 0.85 -0.51 3.38 0.00 -0.63 -1.00 119.26 122.33 2pd6 h ALA 137 Ca 0.05 -0.31 -0.05 0.00 0.00 0.00 0.00 54.91 54.60 2pd6 h ALA 137 Cb 0.07 -0.23 -0.02 0.00 0.00 0.00 0.00 17.79 17.61 2pd6 h ALA 137 CO -0.01 0.67 0.11 0.00 0.00 0.00 0.00 179.25 180.02 2pd6 h ALA 138 N 1.01 0.67 -0.47 0.00 0.00 -0.82 -2.07 119.26 117.58 2pd6 h ALA 138 Ca 0.18 -0.22 -0.05 0.00 0.00 0.00 0.00 54.91 54.81 2pd6 h ALA 138 Cb 0.54 -0.19 -0.02 0.00 0.00 0.00 0.00 17.79 18.12 2pd6 h ALA 138 CO 0.03 0.38 0.08 0.00 0.00 0.00 0.00 179.25 179.74 2pd6 h ALA 139 N 0.99 0.63 -0.72 0.00 0.00 -0.95 -1.66 119.26 117.54 2pd6 h ALA 139 Ca 0.16 -0.22 0.00 0.00 0.00 0.00 0.00 54.91 54.85 2pd6 h ALA 139 Cb 0.36 -0.18 -0.04 0.00 0.00 0.00 0.00 17.79 17.93 2pd6 h ALA 139 CO 0.00 0.34 0.47 1.96 0.00 0.00 0.00 179.25 182.03 2pd6 h GLN 140 N 0.65 0.96 -0.50 0.00 4.20 -1.07 0.04 115.11 119.39 2pd6 h GLN 140 Ca 0.14 -0.07 -0.09 0.00 0.06 0.00 0.00 58.65 58.70 2pd6 h GLN 140 Cb 0.38 -0.21 -0.02 0.00 0.30 0.00 0.00 27.48 27.93 2pd6 h GLN 140 CO 0.01 0.65 -0.02 0.00 -0.67 0.00 0.00 178.83 178.80 2pd6 h ALA 141 N 1.25 0.68 -0.23 3.87 0.00 -1.20 -0.71 119.26 122.92 2pd6 h ALA 141 Ca 0.26 -0.30 -0.06 0.00 0.00 0.00 0.00 54.91 54.82 2pd6 h ALA 141 Cb -0.09 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 17.51 2pd6 h ALA 141 CO -0.05 0.51 -0.08 -0.07 0.00 0.00 0.00 179.25 179.55 2pd6 h LEU 142 N 0.76 0.47 -0.34 0.00 3.38 -1.02 -2.97 115.31 115.59 2pd6 h LEU 142 Ca 0.14 -0.39 -0.07 0.00 0.09 0.00 0.00 57.88 57.65 2pd6 h LEU 142 Cb 0.55 -0.13 -0.01 0.00 0.09 0.00 0.00 40.66 41.16 2pd6 h LEU 142 CO 0.03 0.75 -0.07 0.58 0.09 0.00 0.00 178.44 179.82 2pd6 h VAL 143 N 0.18 1.28 0.00 1.22 2.07 -0.95 -0.18 116.25 119.87 2pd6 h VAL 143 Ca 0.05 -1.11 -0.00 0.00 0.82 0.00 0.00 66.70 66.46 2pd6 h VAL 143 Cb 0.56 1.31 -0.00 0.00 -1.52 0.00 0.00 31.29 31.64 2pd6 h VAL 143 CO 0.03 0.36 -0.02 0.77 0.02 0.00 0.00 177.57 178.73 2pd6 h SER 144 N 0.43 0.00 -0.05 0.57 4.64 -1.17 -2.30 113.55 115.67 2pd6 h SER 144 Ca 0.09 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.41 2pd6 h SER 144 Cb 0.56 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.65 2pd6 h SER 144 CO 0.03 0.02 0.00 0.59 -0.87 0.00 0.00 176.83 176.60 2pd6 n ASN 145 N -3.19 2.66 -1.22 4.97 3.02 -1.09 -4.99 115.26 115.42 2pd6 n ASN 145 Ca -0.01 -1.82 -0.10 0.00 -0.03 0.00 0.00 54.58 52.62 2pd6 n ASN 145 Cb 0.19 -0.02 0.00 0.00 -0.61 0.00 0.00 39.78 39.35 2pd6 n ASN 145 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 2pd6 n GLY 146 N 1.10 0.04 3.59 7.41 0.00 -0.60 -5.02 105.19 111.71 2pd6 n GLY 146 Ca 0.12 -0.45 -0.31 0.00 0.00 0.00 0.00 46.02 45.38 2pd6 n GLY 146 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2pd6 s ARG 148 N -1.82 3.91 0.18 0.00 0.52 -1.26 -4.50 118.95 115.98 2pd6 s ARG 148 Ca 0.19 0.76 -0.11 0.00 -0.52 0.00 0.00 55.73 56.05 2pd6 s ARG 148 Cb -0.11 -2.25 0.04 0.00 0.52 0.00 0.00 34.95 33.15 2pd6 s ARG 148 CO 0.11 -0.14 0.58 0.41 0.02 0.00 0.00 175.30 176.28 2pd6 n GLY 149 N -1.33 1.10 2.67 -3.53 0.00 -1.11 -4.77 105.19 98.21 2pd6 n GLY 149 Ca 0.05 -1.11 -0.22 0.00 0.00 0.00 0.00 46.02 44.74 2pd6 n GLY 149 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2pd6 s SER 150 N -2.42 1.48 -0.20 1.61 0.15 0.43 -1.42 113.70 113.34 2pd6 s SER 150 Ca 0.12 -0.11 -0.07 0.00 0.70 0.00 0.00 55.95 56.60 2pd6 s SER 150 Cb -0.02 -0.20 -0.03 0.00 -1.71 0.00 0.00 66.02 64.05 2pd6 s SER 150 CO 0.05 -0.27 0.05 -0.63 1.20 0.00 0.00 173.24 173.64 2pd6 s ILE 151 N 2.14 4.47 -0.18 6.45 1.01 0.68 -1.65 121.20 134.12 2pd6 s ILE 151 Ca 0.04 -0.14 0.01 0.00 0.00 0.00 0.00 60.65 60.56 2pd6 s ILE 151 Cb -0.13 -3.03 0.04 0.00 0.01 0.00 0.00 42.46 39.35 2pd6 s ILE 151 CO -0.05 0.43 -0.11 -0.63 0.00 0.00 0.00 174.94 174.58 2pd6 s ILE 152 N 0.77 1.55 -0.17 2.92 1.01 0.55 -1.45 121.20 126.37 2pd6 s ILE 152 Ca 0.02 -0.84 -0.04 0.00 0.00 0.00 0.00 60.65 59.79 2pd6 s ILE 152 Cb -0.14 -1.58 -0.03 0.00 0.01 0.00 0.00 42.46 40.73 2pd6 s ILE 152 CO 0.02 0.26 -0.02 0.20 0.00 0.00 0.00 174.94 175.40 2pd6 s ASN 153 N 1.46 4.89 -0.43 3.58 0.01 -0.51 -1.13 114.94 122.81 2pd6 s ASN 153 Ca 0.01 -0.13 -0.21 0.00 -0.71 0.00 0.00 52.86 51.82 2pd6 s ASN 153 Cb -0.15 -1.81 0.02 0.00 0.41 0.00 0.00 41.25 39.72 2pd6 s ASN 153 CO -0.09 0.14 0.66 -0.63 -1.51 0.00 0.00 177.10 175.67 2pd6 s ILE 154 N 0.56 4.81 0.00 0.60 -1.09 -0.94 -0.99 121.20 124.16 2pd6 s ILE 154 Ca -0.02 0.22 0.00 0.00 -2.23 0.00 0.00 60.65 58.63 2pd6 s ILE 154 Cb -0.14 -4.20 0.00 0.00 -1.58 0.00 0.00 42.46 36.54 2pd6 s ILE 154 CO 0.02 -0.57 0.00 -0.24 -1.23 0.00 0.00 174.94 172.92 2pd6 n SER 155 N 6.29 0.00 -3.54 3.58 2.88 0.65 -4.90 113.62 118.59 2pd6 n SER 155 Ca -0.01 0.00 -0.11 0.00 -1.33 0.00 0.00 58.87 57.42 2pd6 n SER 155 Cb 0.48 0.00 -0.04 0.00 -0.75 0.00 0.00 64.21 63.90 2pd6 n SER 155 CO 0.00 0.00 0.00 -0.55 -1.23 0.00 0.00 175.04 173.26 2pd6 s SER 156 N -1.00 -0.41 0.51 -3.46 0.15 -1.26 -4.57 113.70 103.66 2pd6 s SER 156 Ca 0.00 0.32 0.16 0.00 0.70 0.00 0.00 55.95 57.13 2pd6 s SER 156 Cb 0.00 0.37 1.24 0.00 -1.71 0.00 0.00 66.02 65.92 2pd6 s SER 156 CO 0.00 -0.47 2.14 -0.29 1.20 0.00 0.00 173.24 175.82 2pd6 h ILE 157 N 2.45 1.00 0.00 6.45 6.09 -1.64 -1.67 117.51 130.20 2pd6 h ILE 157 Ca -0.21 -0.01 -0.00 0.00 -1.37 0.00 0.00 64.86 63.27 2pd6 h ILE 157 Cb 1.18 0.96 -0.00 0.00 0.47 0.00 0.00 36.82 39.44 2pd6 h ILE 157 CO 0.32 0.01 -0.00 -0.37 -3.07 0.00 0.00 178.15 175.04 2pd6 h VAL 158 N 0.04 0.37 0.00 2.19 -1.51 -1.86 -0.36 116.25 115.12 2pd6 h VAL 158 Ca 0.01 -0.02 0.00 0.00 -1.23 0.00 0.00 66.70 65.46 2pd6 h VAL 158 Cb 0.01 1.01 0.00 0.00 -2.13 0.00 0.00 31.29 30.18 2pd6 h VAL 158 CO -0.00 0.00 0.00 1.23 -1.23 0.00 0.00 177.57 177.57 2pd6 h GLY 159 N 0.04 0.00 0.55 5.19 0.00 -1.54 0.49 103.07 107.81 2pd6 h GLY 159 Ca -0.00 0.00 -0.35 0.00 0.00 0.00 0.00 47.33 46.98 2pd6 h GLY 159 CO 0.00 0.00 -2.04 0.28 0.00 0.00 0.00 176.54 174.78 2pd6 n LYS 160 N -2.93 0.70 0.00 4.80 5.02 -0.16 -4.08 118.16 121.52 2pd6 n LYS 160 Ca -0.00 0.23 0.00 0.00 -2.02 0.00 0.00 58.31 56.52 2pd6 n LYS 160 Cb 0.22 -1.68 0.00 0.00 -0.02 0.00 0.00 35.03 33.54 2pd6 n LYS 160 CO 0.00 0.00 0.00 1.33 -0.52 0.00 0.00 177.40 178.21 2pd6 n VAL 161 N -3.27 0.00 -0.23 -0.18 0.24 -1.11 -5.14 118.33 108.64 2pd6 n VAL 161 Ca -0.31 -0.35 0.03 0.00 -2.04 0.00 0.00 64.34 61.67 2pd6 n VAL 161 Cb 1.05 0.86 -0.01 0.00 -1.47 0.00 0.00 33.84 34.27 2pd6 n VAL 161 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 2pd6 n GLY 162 N 1.33 -1.92 3.64 7.63 0.00 0.17 -5.04 105.19 111.00 2pd6 n GLY 162 Ca 0.00 -1.45 -0.05 0.00 0.00 0.00 0.00 46.02 44.52 2pd6 n GLY 162 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 2pd6 s ASN 163 N -4.84 -0.68 0.22 1.61 2.47 -1.26 -4.77 114.94 107.68 2pd6 s ASN 163 Ca 0.00 1.12 -0.32 0.00 0.42 0.00 0.00 52.86 54.08 2pd6 s ASN 163 Cb 0.00 1.26 -0.14 0.00 -1.45 0.00 0.00 41.25 40.92 2pd6 s ASN 163 CO 0.00 -0.18 1.39 0.52 -3.72 0.00 0.00 177.10 175.11 2pd6 n VAL 164 N 3.71 0.82 -0.82 -5.21 0.31 -1.26 -1.52 118.33 114.35 2pd6 n VAL 164 Ca -0.18 -0.21 0.00 0.00 -0.01 0.00 0.00 64.34 63.94 2pd6 n VAL 164 Cb 0.58 -1.37 0.00 0.00 -0.91 0.00 0.00 33.84 32.14 2pd6 n VAL 164 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 2pd6 n GLY 165 N 2.27 0.82 2.65 2.92 0.00 -1.26 -4.92 105.19 107.66 2pd6 n GLY 165 Ca 0.13 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 46.06 2pd6 n GLY 165 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 2pd6 n GLN 166 N -2.24 1.78 -0.21 1.61 6.02 -0.58 -1.22 117.38 122.54 2pd6 n GLN 166 Ca 0.00 -3.54 0.01 0.00 -0.01 0.00 0.00 57.00 53.45 2pd6 n GLN 166 Cb 0.00 -1.55 0.12 0.00 1.02 0.00 0.00 30.24 29.82 2pd6 n GLN 166 CO 0.00 0.00 0.00 1.15 -1.01 0.00 0.00 177.06 177.20 2pd6 h THR 167 N 3.78 0.71 -0.11 5.09 2.02 -1.80 0.82 112.91 123.42 2pd6 h THR 167 Ca -0.03 -0.12 -0.03 0.00 0.77 0.00 0.00 66.41 66.99 2pd6 h THR 167 Cb 1.21 0.32 -0.00 0.00 -1.74 0.00 0.00 68.15 67.94 2pd6 h THR 167 CO 0.45 0.06 -0.06 -0.55 0.37 0.00 0.00 175.52 175.79 2pd6 h ASN 168 N 0.35 0.24 -0.43 4.18 -1.07 -1.91 -1.72 115.58 115.21 2pd6 h ASN 168 Ca 0.32 -0.43 -0.01 0.00 0.07 0.00 0.00 56.30 56.26 2pd6 h ASN 168 Cb 0.44 -0.07 -0.02 0.00 -2.07 0.00 0.00 38.32 36.60 2pd6 h ASN 168 CO -0.35 0.61 0.24 0.22 0.07 0.00 0.00 177.43 178.22 2pd6 h TYR 169 N -0.13 0.59 -0.29 4.14 3.20 -1.88 -1.50 116.97 121.09 2pd6 h TYR 169 Ca 0.02 -0.01 -0.01 0.00 3.14 0.00 0.00 58.73 61.87 2pd6 h TYR 169 Cb 0.53 -0.19 -0.01 0.00 1.54 0.00 0.00 36.73 38.59 2pd6 h TYR 169 CO 0.07 0.44 0.14 0.00 -1.64 0.00 0.00 178.16 177.18 2pd6 h ALA 170 N 1.09 0.37 -0.51 1.82 0.00 -0.85 -0.97 119.26 120.21 2pd6 h ALA 170 Ca 0.15 -0.09 0.06 0.00 0.00 0.00 0.00 54.91 55.03 2pd6 h ALA 170 Cb 0.04 -0.12 -0.05 0.00 0.00 0.00 0.00 17.79 17.67 2pd6 h ALA 170 CO -0.03 -0.07 0.22 0.00 0.00 0.00 0.00 179.25 179.37 2pd6 h ALA 171 N 1.01 0.65 -0.36 0.00 0.00 -1.19 -1.06 119.26 118.30 2pd6 h ALA 171 Ca 0.10 0.05 -0.10 0.00 0.00 0.00 0.00 54.91 54.96 2pd6 h ALA 171 Cb 0.11 -0.01 -0.02 0.00 0.00 0.00 0.00 17.79 17.87 2pd6 h ALA 171 CO -0.01 -0.15 -0.19 0.66 0.00 0.00 0.00 179.25 179.55 2pd6 h SER 172 N 0.43 0.68 0.53 0.00 4.64 -0.78 0.49 113.55 119.55 2pd6 h SER 172 Ca 0.24 -0.23 -0.29 0.00 -0.47 0.00 0.00 61.79 61.04 2pd6 h SER 172 Cb 0.21 -0.19 0.01 0.00 -0.31 0.00 0.00 62.40 62.12 2pd6 h SER 172 CO -0.21 0.87 -1.34 0.11 -0.87 0.00 0.00 176.83 175.39 2pd6 h LYS 173 N 0.60 0.32 -0.34 4.77 1.79 -0.97 -1.07 116.57 121.67 2pd6 h LYS 173 Ca 0.09 -0.54 -0.00 0.00 -2.18 0.00 0.00 60.65 58.02 2pd6 h LYS 173 Cb 0.66 0.20 -0.02 0.00 -1.58 0.00 0.00 32.23 31.50 2pd6 h LYS 173 CO 0.05 1.24 0.20 0.00 -1.08 0.00 0.00 179.45 179.86 2pd6 h ALA 174 N 0.49 0.43 -0.95 3.86 0.00 -1.14 -2.22 119.26 119.72 2pd6 h ALA 174 Ca -0.18 -0.06 0.15 0.00 0.00 0.00 0.00 54.91 54.82 2pd6 h ALA 174 Cb 2.02 -0.14 -0.09 0.00 0.00 0.00 0.00 17.79 19.58 2pd6 h ALA 174 CO 0.21 -0.06 0.57 0.78 0.00 0.00 0.00 179.25 180.74 2pd6 h GLY 175 N 0.43 1.60 1.08 0.00 0.00 -0.81 -1.89 103.07 103.48 2pd6 h GLY 175 Ca 0.12 -0.35 -0.10 0.00 0.00 0.00 0.00 47.33 47.00 2pd6 h GLY 175 CO -0.02 0.04 0.01 -2.08 0.00 0.00 0.00 176.54 174.48 2pd6 h VAL 176 N 0.82 1.27 -0.41 4.60 2.07 -0.88 -0.04 116.25 123.67 2pd6 h VAL 176 Ca 0.51 -1.14 -0.00 0.00 0.82 0.00 0.00 66.70 66.88 2pd6 h VAL 176 Cb 0.65 0.79 -0.02 0.00 -1.52 0.00 0.00 31.29 31.20 2pd6 h VAL 176 CO -0.33 0.42 0.24 0.40 0.02 0.00 0.00 177.57 178.32 2pd6 h ILE 177 N 0.97 1.14 -0.37 4.57 2.04 -0.88 -0.96 117.51 124.01 2pd6 h ILE 177 Ca 0.17 -0.34 -0.04 0.00 1.00 0.00 0.00 64.86 65.65 2pd6 h ILE 177 Cb 0.55 0.62 -0.02 0.00 -0.74 0.00 0.00 36.82 37.24 2pd6 h ILE 177 CO 0.03 0.14 0.08 1.23 0.00 0.00 0.00 178.15 179.63 2pd6 h GLY 178 N 0.54 0.65 0.14 5.37 0.00 -1.07 -2.01 103.07 106.69 2pd6 h GLY 178 Ca 0.15 -0.42 0.12 0.00 0.00 0.00 0.00 47.33 47.18 2pd6 h GLY 178 CO -0.03 0.39 0.14 -2.00 0.00 0.00 0.00 176.54 175.04 2pd6 h LEU 179 N 0.46 0.01 -0.17 3.11 6.46 -0.91 -2.79 115.31 121.48 2pd6 h LEU 179 Ca 0.12 0.12 -0.20 0.00 -0.12 0.00 0.00 57.88 57.79 2pd6 h LEU 179 Cb 0.33 0.16 0.01 0.00 -0.73 0.00 0.00 40.66 40.42 2pd6 h LEU 179 CO 0.00 0.00 -0.68 0.74 -0.62 0.00 0.00 178.44 177.89 2pd6 h THR 180 N 0.27 1.29 -0.32 1.05 2.02 -0.93 -0.78 112.91 115.51 2pd6 h THR 180 Ca 0.33 -1.89 0.04 0.00 0.77 0.00 0.00 66.41 65.67 2pd6 h THR 180 Cb 0.51 1.94 -0.04 0.00 -1.74 0.00 0.00 68.15 68.83 2pd6 h THR 180 CO -0.42 0.60 0.11 1.56 0.37 0.00 0.00 175.52 177.73 2pd6 h GLN 181 N 0.49 0.23 -0.22 6.66 4.20 -1.32 -0.74 115.11 124.42 2pd6 h GLN 181 Ca -0.04 -0.01 -0.03 0.00 0.06 0.00 0.00 58.65 58.63 2pd6 h GLN 181 Cb 1.30 -0.05 -0.01 0.00 0.30 0.00 0.00 27.48 29.02 2pd6 h GLN 181 CO 0.14 0.16 0.01 1.15 -0.67 0.00 0.00 178.83 179.62 2pd6 h THR 182 N 0.24 1.25 -0.56 -0.54 2.02 -1.40 -2.48 112.91 111.43 2pd6 h THR 182 Ca 0.14 -0.85 0.06 0.00 0.77 0.00 0.00 66.41 66.53 2pd6 h THR 182 Cb 0.12 1.38 -0.05 0.00 -1.74 0.00 0.00 68.15 67.86 2pd6 h THR 182 CO -0.15 0.26 0.28 0.00 0.37 0.00 0.00 175.52 176.28 2pd6 h ALA 183 N 0.81 0.73 -0.68 6.16 0.00 -0.96 -1.49 119.26 123.82 2pd6 h ALA 183 Ca 0.06 0.03 0.03 0.00 0.00 0.00 0.00 54.91 55.04 2pd6 h ALA 183 Cb 0.38 -0.07 -0.04 0.00 0.00 0.00 0.00 17.79 18.06 2pd6 h ALA 183 CO 0.01 -0.07 0.42 0.00 0.00 0.00 0.00 179.25 179.61 2pd6 h ALA 184 N 1.31 0.89 -0.50 0.00 0.00 -1.01 0.17 119.26 120.13 2pd6 h ALA 184 Ca 0.25 -0.02 -0.11 0.00 0.00 0.00 0.00 54.91 55.04 2pd6 h ALA 184 Cb 0.18 -0.20 -0.02 0.00 0.00 0.00 0.00 17.79 17.75 2pd6 h ALA 184 CO -0.18 0.17 -0.12 -0.09 0.00 0.00 0.00 179.25 179.02 2pd6 h ARG 185 N 0.81 0.93 -0.06 0.00 2.43 -0.91 -2.07 114.38 115.52 2pd6 h ARG 185 Ca 0.28 -0.34 -0.16 0.00 -0.81 0.00 0.00 59.98 58.95 2pd6 h ARG 185 Cb 0.05 -0.06 -0.01 0.00 -0.42 0.00 0.00 29.97 29.52 2pd6 h ARG 185 CO -0.12 1.00 -0.65 0.93 -1.51 0.00 0.00 179.97 179.62 2pd6 h GLU 186 N 0.83 0.26 0.00 0.20 5.08 -0.92 -3.37 114.58 116.66 2pd6 h GLU 186 Ca 0.13 -0.19 0.00 0.00 -1.00 0.00 0.00 59.36 58.30 2pd6 h GLU 186 Cb 0.66 0.03 0.00 0.00 0.50 0.00 0.00 28.75 29.95 2pd6 h GLU 186 CO 0.05 0.82 -1.15 1.28 -1.00 0.00 0.00 179.01 179.00 2pd6 n LEU 187 N -3.84 0.65 -0.22 1.33 4.77 0.02 -4.38 117.00 115.32 2pd6 n LEU 187 Ca -0.03 -0.21 0.02 0.00 -0.03 0.00 0.00 56.01 55.76 2pd6 n LEU 187 Cb 0.65 -0.05 0.14 0.00 -2.33 0.00 0.00 43.42 41.82 2pd6 n LEU 187 CO 0.45 0.13 0.99 1.23 -1.33 0.00 0.00 177.39 178.86 2pd6 h GLY 188 N 4.67 0.95 1.84 -0.72 0.00 -1.39 -0.30 103.07 108.12 2pd6 h GLY 188 Ca 0.00 -0.12 0.00 0.00 0.00 0.00 0.00 47.33 47.21 2pd6 h GLY 188 CO 0.00 -0.05 0.07 0.07 0.00 0.00 0.00 176.54 176.63 2pd6 h ARG 189 N 0.42 0.00 -0.58 4.80 0.11 -1.83 -0.85 114.38 116.45 2pd6 h ARG 189 Ca 0.35 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.43 2pd6 h ARG 189 Cb 0.47 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.55 2pd6 h ARG 189 CO -0.35 0.00 0.00 0.72 0.10 0.00 0.00 179.97 180.44 2pd6 n HIS 190 N -2.84 0.77 -1.34 4.08 8.25 -0.15 -4.96 115.22 119.03 2pd6 n HIS 190 Ca -0.02 -0.40 0.00 0.00 -0.26 0.00 0.00 57.72 57.04 2pd6 n HIS 190 Cb 0.13 -0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.24 2pd6 n HIS 190 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 2pd6 n GLY 191 N 1.55 0.38 3.18 -1.41 0.00 -0.32 -4.63 105.19 103.94 2pd6 n GLY 191 Ca 0.22 -1.03 -0.33 0.00 0.00 0.00 0.00 46.02 44.88 2pd6 n GLY 191 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2pd6 s ILE 192 N -2.00 2.42 0.15 -0.61 1.01 -1.03 -2.76 121.20 118.38 2pd6 s ILE 192 Ca 0.00 -0.82 -0.11 0.00 0.00 0.00 0.00 60.65 59.72 2pd6 s ILE 192 Cb 0.00 -2.04 -0.07 0.00 0.01 0.00 0.00 42.46 40.37 2pd6 s ILE 192 CO 0.00 0.51 0.49 -0.13 0.00 0.00 0.00 174.94 175.81 2pd6 s ARG 193 N 1.22 3.84 -0.06 2.79 0.52 -0.51 -3.41 118.95 123.35 2pd6 s ARG 193 Ca 0.03 0.29 -0.01 0.00 -0.52 0.00 0.00 55.73 55.52 2pd6 s ARG 193 Cb -0.14 -2.87 0.03 0.00 0.52 0.00 0.00 34.95 32.49 2pd6 s ARG 193 CO -0.08 0.46 0.00 0.00 0.02 0.00 0.00 175.30 175.70 2pd6 s ASN 195 N 1.66 0.50 -0.02 0.00 0.01 -0.53 0.08 114.94 116.64 2pd6 s ASN 195 Ca -0.00 -0.90 0.03 0.00 -0.71 0.00 0.00 52.86 51.28 2pd6 s ASN 195 Cb -0.13 0.17 -0.03 0.00 0.41 0.00 0.00 41.25 41.67 2pd6 s ASN 195 CO -0.04 -0.53 -0.10 -0.44 -1.51 0.00 0.00 177.10 174.49 2pd6 s SER 196 N -2.64 4.42 -0.15 -1.22 0.01 -0.25 -1.43 113.70 112.45 2pd6 s SER 196 Ca 0.03 -0.16 -0.01 0.00 1.31 0.00 0.00 55.95 57.11 2pd6 s SER 196 Cb 0.04 -1.00 -0.02 0.00 0.21 0.00 0.00 66.02 65.26 2pd6 s SER 196 CO -0.08 0.31 -0.10 -0.69 0.41 0.00 0.00 173.24 173.09 2pd6 s VAL 197 N -0.90 3.27 -0.79 3.43 1.01 -0.16 -0.56 120.40 125.70 2pd6 s VAL 197 Ca 0.15 -0.58 -0.00 0.00 0.00 0.00 0.00 61.98 61.55 2pd6 s VAL 197 Cb -0.11 -2.40 0.19 0.00 0.00 0.00 0.00 36.38 34.07 2pd6 s VAL 197 CO 0.05 0.51 0.63 -0.76 0.00 0.00 0.00 175.10 175.53 2pd6 s LEU 198 N 0.47 5.28 0.63 3.92 1.02 0.52 -0.25 118.68 130.27 2pd6 s LEU 198 Ca -0.08 -3.59 -0.17 0.00 0.02 0.00 0.00 54.13 50.32 2pd6 s LEU 198 Cb -0.15 -1.82 -0.02 0.00 0.02 0.00 0.00 46.19 44.22 2pd6 s LEU 198 CO 0.04 -0.19 1.16 -2.84 0.02 0.00 0.00 176.35 174.54 2pd6 s PRO 199 N -1.13 2.84 0.00 1.29 0.02 -1.26 -1.56 135.00 135.20 2pd6 s PRO 199 Ca 0.25 1.65 0.00 0.00 0.02 0.00 0.00 61.00 62.91 2pd6 s PRO 199 Cb -0.09 -1.93 0.00 0.00 0.02 0.00 0.00 34.50 32.49 2pd6 s PRO 199 CO -0.11 -1.27 0.00 0.41 -0.33 0.00 0.00 177.00 175.70 2pd6 n GLY 200 N 0.12 0.61 3.41 0.52 0.00 -0.16 -2.30 105.19 107.39 2pd6 n GLY 200 Ca 0.12 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.71 2pd6 n GLY 200 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 2pd6 s PHE 201 N 1.71 3.25 -0.11 1.61 2.99 -1.26 -4.88 117.98 121.29 2pd6 s PHE 201 Ca 0.00 -0.83 0.00 0.00 0.00 0.00 0.00 56.93 56.11 2pd6 s PHE 201 Cb 0.00 -2.83 -0.02 0.00 0.00 0.00 0.00 43.02 40.17 2pd6 s PHE 201 CO 0.00 -0.70 -0.12 0.42 -0.00 0.00 0.00 175.22 174.82 2pd6 s ILE 202 N 1.63 3.15 -0.41 0.64 -1.09 -1.26 -1.32 121.20 122.54 2pd6 s ILE 202 Ca 0.04 -0.64 -0.28 0.00 -2.23 0.00 0.00 60.65 57.54 2pd6 s ILE 202 Cb -0.21 -2.31 -0.03 0.00 -1.58 0.00 0.00 42.46 38.33 2pd6 s ILE 202 CO 0.08 0.54 1.95 0.00 -1.23 0.00 0.00 174.94 176.28 2pd6 s ALA 203 N 0.06 2.50 0.32 9.38 0.00 -0.16 -4.67 121.76 129.19 2pd6 s ALA 203 Ca -0.05 0.05 -0.04 0.00 0.00 0.00 0.00 51.96 51.92 2pd6 s ALA 203 Cb -0.14 -4.14 -0.00 0.00 0.00 0.00 0.00 23.12 18.83 2pd6 s ALA 203 CO 0.04 -3.23 0.45 0.95 0.00 0.00 0.00 175.76 173.97 2pd6 s THR 204 N 8.36 0.00 0.47 0.00 -4.23 -1.26 -4.35 115.64 114.62 2pd6 s THR 204 Ca 0.81 -1.59 0.39 0.00 -1.18 0.00 0.00 61.69 60.13 2pd6 s THR 204 Cb -0.20 -2.56 0.41 0.00 1.34 0.00 0.00 72.50 71.49 2pd6 s THR 204 CO 0.29 0.00 2.22 -0.65 -0.54 0.00 0.00 174.62 175.95 2pd6 h PRO 205 N 2.17 0.00 -0.45 3.99 0.11 -1.98 -1.35 132.00 134.49 2pd6 h PRO 205 Ca -0.28 0.00 -0.02 0.00 0.11 0.00 0.00 66.00 65.81 2pd6 h PRO 205 Cb 1.24 0.00 -0.02 0.00 0.11 0.00 0.00 31.00 32.33 2pd6 h PRO 205 CO 0.39 0.01 0.21 1.98 -0.21 0.00 0.00 178.00 180.39 2pd6 h MET 206 N 0.00 0.65 -0.15 1.05 4.05 -1.96 -3.22 114.93 115.35 2pd6 h MET 206 Ca -0.00 -0.10 0.00 0.00 -0.28 0.00 0.00 59.70 59.32 2pd6 h MET 206 Cb 0.19 -0.12 0.00 0.00 -0.80 0.00 0.00 31.60 30.88 2pd6 h MET 206 CO 0.00 0.56 0.00 0.25 0.23 0.00 0.00 176.91 177.95 2pd6 n THR 207 N -4.64 0.17 -0.08 -0.77 -2.24 -1.02 -4.35 114.28 101.34 2pd6 n THR 207 Ca 0.01 -0.52 0.12 0.00 -2.27 0.00 0.00 64.05 61.38 2pd6 n THR 207 Cb 0.12 1.09 0.50 0.00 -2.10 0.00 0.00 70.33 69.94 2pd6 n THR 207 CO 0.00 0.00 0.00 1.56 -0.57 0.00 0.00 175.07 176.06 2pd6 h GLN 208 N 4.06 0.41 -0.01 -0.78 4.20 -1.26 -2.06 115.11 119.67 2pd6 h GLN 208 Ca 0.00 -0.02 0.00 0.00 0.06 0.00 0.00 58.65 58.69 2pd6 h GLN 208 Cb 0.87 -0.09 0.00 0.00 0.30 0.00 0.00 27.48 28.56 2pd6 h GLN 208 CO 0.00 0.27 -0.05 0.36 -0.67 0.00 0.00 178.83 178.74 2pd6 n LYS 209 N -4.47 1.25 -2.27 1.46 0.00 -1.26 -4.80 118.16 108.07 2pd6 n LYS 209 Ca 0.10 -0.57 -0.42 0.00 -0.00 0.00 0.00 58.31 57.41 2pd6 n LYS 209 Cb 0.36 -1.49 -0.03 0.00 -0.00 0.00 0.00 35.03 33.87 2pd6 n LYS 209 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.40 177.94 2pd6 s VAL 210 N -2.15 3.84 0.97 0.58 0.11 -0.78 -5.00 120.40 117.98 2pd6 s VAL 210 Ca 0.37 1.20 -0.11 0.00 -2.93 0.00 0.00 61.98 60.51 2pd6 s VAL 210 Cb 0.21 -3.77 0.17 0.00 -1.53 0.00 0.00 36.38 31.46 2pd6 s VAL 210 CO 0.39 -0.01 1.09 -2.16 -3.33 0.00 0.00 175.10 171.08 2pd6 s PRO 211 N 2.43 0.62 0.09 1.54 0.04 -1.26 -4.86 135.00 133.61 2pd6 s PRO 211 Ca 0.62 1.11 -0.22 0.00 0.04 0.00 0.00 61.00 62.54 2pd6 s PRO 211 Cb -0.30 -1.71 -0.13 0.00 0.04 0.00 0.00 34.50 32.40 2pd6 s PRO 211 CO 0.25 -2.76 1.73 0.37 0.04 0.00 0.00 177.00 176.63 2pd6 h GLN 212 N -1.94 0.06 -0.74 4.56 -0.00 -1.96 -2.75 115.11 112.33 2pd6 h GLN 212 Ca -0.50 -0.00 -0.01 0.00 -0.00 0.00 0.00 58.65 58.13 2pd6 h GLN 212 Cb 1.29 -0.01 -0.04 0.00 0.00 0.00 0.00 27.48 28.72 2pd6 h GLN 212 CO 0.49 0.06 0.41 0.87 0.00 0.00 0.00 178.83 180.66 2pd6 h LYS 213 N 0.04 1.03 -0.25 1.69 1.57 -2.00 0.11 116.57 118.76 2pd6 h LYS 213 Ca 0.02 -0.11 -0.06 0.00 -1.87 0.00 0.00 60.65 58.63 2pd6 h LYS 213 Cb 0.01 -0.21 -0.01 0.00 0.08 0.00 0.00 32.23 32.10 2pd6 h LYS 213 CO -0.00 0.75 -0.12 -0.39 -0.57 0.00 0.00 179.45 179.12 2pd6 h VAL 214 N 1.04 1.21 -0.05 0.50 -1.51 -1.92 -2.55 116.25 112.96 2pd6 h VAL 214 Ca 0.26 -0.93 -0.07 0.00 -1.23 0.00 0.00 66.70 64.73 2pd6 h VAL 214 Cb 0.01 1.15 0.00 0.00 -2.13 0.00 0.00 31.29 30.33 2pd6 h VAL 214 CO -0.04 0.30 -0.25 1.62 -1.23 0.00 0.00 177.57 177.97 2pd6 h VAL 215 N 0.39 1.45 -0.23 7.19 3.04 -0.57 -0.28 116.25 127.24 2pd6 h VAL 215 Ca 0.08 -1.69 -0.05 0.00 -1.01 0.00 0.00 66.70 64.03 2pd6 h VAL 215 Cb 0.44 2.39 -0.01 0.00 -2.01 0.00 0.00 31.29 32.10 2pd6 h VAL 215 CO 0.02 0.48 -0.07 -2.24 -1.01 0.00 0.00 177.57 174.75 2pd6 h ASP 216 N -0.27 0.34 -0.37 3.17 2.03 -1.11 0.21 116.42 120.43 2pd6 h ASP 216 Ca -0.02 -0.07 -0.10 0.00 -0.73 0.00 0.00 57.03 56.12 2pd6 h ASP 216 Cb 0.90 -0.09 -0.01 0.00 -0.83 0.00 0.00 39.33 39.30 2pd6 h ASP 216 CO 0.05 0.46 -0.16 0.11 -1.03 0.00 0.00 179.24 178.67 2pd6 h LYS 217 N 0.35 0.76 -0.42 4.15 6.56 -1.46 -2.90 116.57 123.60 2pd6 h LYS 217 Ca 0.07 -0.33 -0.02 0.00 -1.06 0.00 0.00 60.65 59.31 2pd6 h LYS 217 Cb 0.35 -0.02 -0.02 0.00 -0.57 0.00 0.00 32.23 31.97 2pd6 h LYS 217 CO 0.02 0.94 0.17 0.82 -2.06 0.00 0.00 179.45 179.34 2pd6 h ILE 218 N 0.55 1.20 -0.84 1.86 2.04 -0.58 -2.57 117.51 119.16 2pd6 h ILE 218 Ca 0.08 -0.61 0.18 0.00 1.00 0.00 0.00 64.86 65.51 2pd6 h ILE 218 Cb 0.71 0.82 -0.06 0.00 -0.74 0.00 0.00 36.82 37.54 2pd6 h ILE 218 CO 0.05 0.22 0.56 0.74 0.00 0.00 0.00 178.15 179.72 2pd6 h THR 219 N 0.54 0.73 0.00 -0.27 2.02 -0.60 0.31 112.91 115.63 2pd6 h THR 219 Ca 0.14 -0.14 -0.03 0.00 0.77 0.00 0.00 66.41 67.15 2pd6 h THR 219 Cb 0.19 0.28 -0.00 0.00 -1.74 0.00 0.00 68.15 66.88 2pd6 h THR 219 CO -0.01 0.07 -0.15 -0.33 0.37 0.00 0.00 175.52 175.48 2pd6 h GLU 220 N 0.41 0.00 -0.00 6.66 3.07 -1.25 -2.50 114.58 120.97 2pd6 h GLU 220 Ca 0.43 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 59.29 2pd6 h GLU 220 Cb 1.03 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.94 2pd6 h GLU 220 CO -0.15 0.15 -0.01 0.00 -1.40 0.00 0.00 179.01 177.59 2pd6 n MET 221 N -3.55 1.08 -3.82 2.33 3.85 0.11 -4.78 117.12 112.33 2pd6 n MET 221 Ca -0.01 -0.25 -0.36 0.00 -1.00 0.00 0.00 57.70 56.08 2pd6 n MET 221 Cb 0.29 -1.49 -0.13 0.00 -1.05 0.00 0.00 33.22 30.83 2pd6 n MET 221 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 175.97 176.39 2pd6 s ILE 222 N -2.09 3.41 0.31 3.17 1.01 -0.94 -2.91 121.20 123.15 2pd6 s ILE 222 Ca 0.42 -1.27 0.07 0.00 0.00 0.00 0.00 60.65 59.87 2pd6 s ILE 222 Cb 0.21 -2.96 0.30 0.00 0.01 0.00 0.00 42.46 40.03 2pd6 s ILE 222 CO 0.38 -0.16 1.74 -0.65 0.00 0.00 0.00 174.94 176.25 2pd6 h PRO 223 N 8.12 0.58 0.00 2.79 0.11 -1.75 0.33 132.00 142.18 2pd6 h PRO 223 Ca -0.22 -0.04 -0.01 0.00 0.11 0.00 0.00 66.00 65.84 2pd6 h PRO 223 Cb 1.07 -0.13 -0.00 0.00 0.11 0.00 0.00 31.00 32.05 2pd6 h PRO 223 CO 0.57 0.39 -0.05 0.52 -0.21 0.00 0.00 178.00 179.22 2pd6 h MET 224 N 0.60 0.00 0.00 1.05 2.86 -1.76 -3.47 114.93 114.21 2pd6 h MET 224 Ca 0.61 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 58.25 2pd6 h MET 224 Cb 1.09 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.75 2pd6 h MET 224 CO -0.46 0.05 0.00 0.41 1.06 0.00 0.00 176.91 177.98 2pd6 n GLY 225 N -0.55 0.53 3.48 8.32 0.00 0.12 -5.04 105.19 112.05 2pd6 n GLY 225 Ca -0.01 -0.45 -0.10 0.00 0.00 0.00 0.00 46.02 45.46 2pd6 n GLY 225 CO 0.00 0.00 0.00 -2.38 0.00 0.00 0.00 173.32 170.94 2pd6 s HIS 226 N -2.00 0.03 0.58 1.61 -3.43 -1.26 -4.96 115.29 105.85 2pd6 s HIS 226 Ca 0.00 -0.38 -0.17 0.00 -0.80 0.00 0.00 55.06 53.72 2pd6 s HIS 226 Cb 0.00 0.27 -0.04 0.00 -1.43 0.00 0.00 32.58 31.38 2pd6 s HIS 226 CO 0.00 -0.87 1.07 -0.51 -2.00 0.00 0.00 174.74 172.43 2pd6 s LEU 227 N -2.90 3.57 0.74 5.38 1.43 -1.26 -4.97 118.68 120.66 2pd6 s LEU 227 Ca 0.11 1.91 -0.12 0.00 -1.03 0.00 0.00 54.13 55.01 2pd6 s LEU 227 Cb 0.00 -4.55 0.04 0.00 0.03 0.00 0.00 46.19 41.71 2pd6 s LEU 227 CO -0.02 -1.19 1.12 -0.83 0.23 0.00 0.00 176.35 175.66 2pd6 s GLY 228 N -2.50 1.62 0.08 -3.19 0.00 -0.43 -4.87 107.32 98.03 2pd6 s GLY 228 Ca 0.66 -0.45 0.07 0.00 0.00 0.00 0.00 44.72 45.00 2pd6 s GLY 228 CO 0.34 -0.04 -0.12 -0.35 0.00 0.00 0.00 173.10 172.93 2pd6 s ASP 229 N -4.43 4.26 0.52 1.64 -1.08 -1.26 -0.99 116.67 115.32 2pd6 s ASP 229 Ca 0.59 -0.38 0.27 0.00 -0.52 0.00 0.00 52.55 52.52 2pd6 s ASP 229 Cb -0.11 -0.80 1.39 0.00 -1.46 0.00 0.00 42.92 41.95 2pd6 s ASP 229 CO 0.51 0.21 1.93 -0.65 0.52 0.00 0.00 175.17 177.68 2pd6 h PRO 230 N 3.93 0.06 0.00 4.34 0.11 -1.93 -0.25 132.00 138.26 2pd6 h PRO 230 Ca -0.49 -0.00 -0.05 0.00 0.11 0.00 0.00 66.00 65.57 2pd6 h PRO 230 Cb 1.16 -0.01 -0.01 0.00 0.11 0.00 0.00 31.00 32.25 2pd6 h PRO 230 CO 0.51 0.04 -0.22 1.05 -0.21 0.00 0.00 178.00 179.17 2pd6 h GLU 231 N 0.06 0.00 -0.54 1.05 9.09 -1.94 -1.43 114.58 120.87 2pd6 h GLU 231 Ca 0.37 0.00 -0.02 0.00 0.05 0.00 0.00 59.36 59.76 2pd6 h GLU 231 Cb 1.36 0.00 -0.02 0.00 -1.65 0.00 0.00 28.75 28.44 2pd6 h GLU 231 CO -0.03 0.22 0.27 -0.44 0.05 0.00 0.00 179.01 179.08 2pd6 h ASP 232 N 0.00 0.69 -0.52 3.06 3.32 -1.44 0.20 116.42 121.74 2pd6 h ASP 232 Ca -0.00 -0.12 -0.09 0.00 0.02 0.00 0.00 57.03 56.85 2pd6 h ASP 232 Cb 0.54 -0.18 -0.02 0.00 0.22 0.00 0.00 39.33 39.90 2pd6 h ASP 232 CO 0.03 0.61 -0.01 0.58 -1.72 0.00 0.00 179.24 178.73 2pd6 h VAL 233 N 0.72 1.26 -0.74 -1.35 2.07 -1.50 -3.06 116.25 113.65 2pd6 h VAL 233 Ca 0.19 -1.11 -0.03 0.00 0.82 0.00 0.00 66.70 66.57 2pd6 h VAL 233 Cb 0.09 0.95 -0.03 0.00 -1.52 0.00 0.00 31.29 30.78 2pd6 h VAL 233 CO -0.03 0.39 0.36 0.00 0.02 0.00 0.00 177.57 178.32 2pd6 h ALA 234 N 0.94 1.24 -0.90 1.67 0.00 -0.85 -1.95 119.26 119.40 2pd6 h ALA 234 Ca 0.14 -0.14 0.03 0.00 0.00 0.00 0.00 54.91 54.94 2pd6 h ALA 234 Cb 0.54 -0.30 -0.05 0.00 0.00 0.00 0.00 17.79 17.98 2pd6 h ALA 234 CO 0.03 0.59 0.59 -0.44 0.00 0.00 0.00 179.25 180.01 2pd6 h ASP 235 N 1.05 0.98 -0.37 0.00 3.32 -0.89 -0.26 116.42 120.25 2pd6 h ASP 235 Ca 0.26 -0.01 -0.13 0.00 0.02 0.00 0.00 57.03 57.17 2pd6 h ASP 235 Cb 0.10 -0.22 -0.01 0.00 0.22 0.00 0.00 39.33 39.42 2pd6 h ASP 235 CO -0.03 0.68 -0.28 0.58 -1.72 0.00 0.00 179.24 178.46 2pd6 h VAL 236 N 1.14 1.28 -0.98 -1.35 2.07 -1.35 -2.53 116.25 114.54 2pd6 h VAL 236 Ca 0.36 -1.45 0.01 0.00 0.82 0.00 0.00 66.70 66.44 2pd6 h VAL 236 Cb -0.01 1.39 -0.05 0.00 -1.52 0.00 0.00 31.29 31.10 2pd6 h VAL 236 CO -0.11 0.48 0.65 0.58 0.02 0.00 0.00 177.57 179.18 2pd6 h VAL 237 N 0.64 1.24 -0.38 2.57 2.07 -0.97 -1.19 116.25 120.23 2pd6 h VAL 237 Ca 0.07 -0.45 -0.08 0.00 0.82 0.00 0.00 66.70 67.06 2pd6 h VAL 237 Cb 0.86 -0.19 -0.02 0.00 -1.52 0.00 0.00 31.29 30.43 2pd6 h VAL 237 CO 0.08 0.24 -0.10 0.00 0.02 0.00 0.00 177.57 177.81 2pd6 h ALA 238 N 1.40 1.12 -0.00 1.67 0.00 -0.95 -0.31 119.26 122.19 2pd6 h ALA 238 Ca 0.36 -0.29 -0.00 0.00 0.00 0.00 0.00 54.91 54.98 2pd6 h ALA 238 Cb -0.14 -0.16 -0.00 0.00 0.00 0.00 0.00 17.79 17.49 2pd6 h ALA 238 CO -0.08 0.55 0.00 0.35 0.00 0.00 0.00 179.25 180.07 2pd6 h PHE 239 N 0.61 0.00 0.00 0.00 3.57 -0.99 -2.07 116.94 118.06 2pd6 h PHE 239 Ca 0.11 -0.00 -0.03 0.00 3.53 0.00 0.00 57.97 61.58 2pd6 h PHE 239 Cb 0.52 -0.00 -0.00 0.00 2.79 0.00 0.00 35.95 39.26 2pd6 h PHE 239 CO 0.02 0.09 -0.16 -0.07 -2.23 0.00 0.00 178.31 175.97 2pd6 h LEU 240 N -0.09 0.00 -0.02 0.59 3.38 -1.05 -2.49 115.31 115.62 2pd6 h LEU 240 Ca 0.00 0.00 -0.10 0.00 0.09 0.00 0.00 57.88 57.87 2pd6 h LEU 240 Cb 0.09 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 40.83 2pd6 h LEU 240 CO -0.00 0.16 -0.48 0.00 0.09 0.00 0.00 178.44 178.21 2pd6 h ALA 241 N 1.84 0.69 -2.02 1.53 0.00 -0.87 -3.46 119.26 116.98 2pd6 h ALA 241 Ca -0.00 -0.44 -0.45 0.00 0.00 0.00 0.00 54.91 54.02 2pd6 h ALA 241 Cb 0.39 -0.08 0.07 0.00 0.00 0.00 0.00 17.79 18.18 2pd6 h ALA 241 CO 0.02 0.60 0.14 -1.54 0.00 0.00 0.00 179.25 178.47 2pd6 s SER 242 N -6.45 4.82 0.14 0.00 1.04 -0.80 -4.90 113.70 107.55 2pd6 s SER 242 Ca 0.04 0.20 0.26 0.00 0.48 0.00 0.00 55.95 56.93 2pd6 s SER 242 Cb 0.07 -0.86 0.95 0.00 0.10 0.00 0.00 66.02 66.29 2pd6 s SER 242 CO 0.74 -1.54 1.80 -0.62 0.98 0.00 0.00 173.24 174.60 2pd6 n GLU 243 N -2.77 0.16 0.31 4.02 -0.58 -1.26 -2.71 120.64 117.82 2pd6 n GLU 243 Ca 0.09 0.17 0.18 0.00 -0.42 0.00 0.00 57.16 57.19 2pd6 n GLU 243 Cb 0.60 -1.70 0.97 0.00 -0.57 0.00 0.00 31.44 30.74 2pd6 n GLU 243 CO 0.00 0.00 0.00 -0.44 -0.48 0.00 0.00 177.13 176.21 2pd6 h ASP 244 N 0.00 0.00 -0.44 1.62 3.32 -1.95 -1.34 116.42 117.63 2pd6 h ASP 244 Ca 0.00 0.00 -0.12 0.00 0.02 0.00 0.00 57.03 56.93 2pd6 h ASP 244 Cb 0.61 0.00 -0.07 0.00 0.22 0.00 0.00 39.33 40.09 2pd6 h ASP 244 CO 0.00 0.00 0.07 -1.54 -1.72 0.00 0.00 179.24 176.05 2pd6 n SER 245 N -3.11 3.86 0.31 6.45 3.41 -1.10 -4.77 113.62 118.67 2pd6 n SER 245 Ca -0.02 -3.27 0.19 0.00 -0.26 0.00 0.00 58.87 55.51 2pd6 n SER 245 Cb 0.26 -0.63 1.01 0.00 -0.26 0.00 0.00 64.21 64.59 2pd6 n SER 245 CO 0.00 0.00 0.00 1.23 -0.16 0.00 0.00 175.04 176.11 2pd6 h GLY 246 N 1.89 0.00 -1.17 5.00 0.00 -1.41 -0.37 103.07 107.00 2pd6 h GLY 246 Ca 0.14 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.47 2pd6 h GLY 246 CO 0.43 0.00 0.00 2.98 0.00 0.00 0.00 176.54 179.95 2pd6 n TYR 247 N -2.87 0.67 -3.85 5.60 9.36 -1.26 -4.91 117.16 119.89 2pd6 n TYR 247 Ca -0.02 -0.87 -0.36 0.00 3.32 0.00 0.00 57.90 59.97 2pd6 n TYR 247 Cb 0.14 -0.25 -0.13 0.00 -0.63 0.00 0.00 39.34 38.47 2pd6 n TYR 247 CO 0.00 0.00 0.00 0.42 0.22 0.00 0.00 176.86 177.50 2pd6 s ILE 248 N -2.66 3.47 -0.03 2.97 1.01 -0.15 -5.09 121.20 120.71 2pd6 s ILE 248 Ca 0.37 -0.85 -0.16 0.00 0.00 0.00 0.00 60.65 60.01 2pd6 s ILE 248 Cb 0.30 -2.79 0.03 0.00 0.01 0.00 0.00 42.46 40.02 2pd6 s ILE 248 CO 0.08 0.12 0.35 0.28 0.00 0.00 0.00 174.94 175.77 2pd6 s THR 249 N 1.42 0.05 -0.57 2.92 -1.32 -1.26 -4.78 115.64 112.09 2pd6 s THR 249 Ca 0.01 -0.38 0.00 0.00 -1.21 0.00 0.00 61.69 60.11 2pd6 s THR 249 Cb -0.17 -0.64 0.00 0.00 -1.51 0.00 0.00 72.50 70.18 2pd6 s THR 249 CO -0.01 -0.21 0.00 0.61 -2.21 0.00 0.00 174.62 172.80 2pd6 n GLY 250 N 1.42 0.62 3.55 6.08 0.00 0.11 -4.97 105.19 112.00 2pd6 n GLY 250 Ca -0.20 -0.76 -0.26 0.00 0.00 0.00 0.00 46.02 44.80 2pd6 n GLY 250 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 2pd6 s THR 251 N -2.23 0.77 -0.06 2.61 -1.32 -1.26 -4.68 115.64 109.46 2pd6 s THR 251 Ca 0.00 -2.00 0.06 0.00 -1.21 0.00 0.00 61.69 58.54 2pd6 s THR 251 Cb 0.00 -2.37 -0.01 0.00 -1.51 0.00 0.00 72.50 68.61 2pd6 s THR 251 CO 0.00 0.00 -0.25 -0.44 -2.21 0.00 0.00 174.62 171.72 2pd6 s SER 252 N -3.64 3.08 -0.17 8.08 0.01 -1.26 -1.09 113.70 118.71 2pd6 s SER 252 Ca 0.22 -0.52 -0.02 0.00 1.31 0.00 0.00 55.95 56.94 2pd6 s SER 252 Cb 0.03 -0.92 -0.01 0.00 0.21 0.00 0.00 66.02 65.32 2pd6 s SER 252 CO 0.13 0.23 -0.09 -0.69 0.41 0.00 0.00 173.24 173.23 2pd6 s VAL 253 N -0.09 3.26 -0.07 3.43 1.01 0.28 -4.97 120.40 123.24 2pd6 s VAL 253 Ca -0.06 -0.56 -0.20 0.00 0.00 0.00 0.00 61.98 61.16 2pd6 s VAL 253 Cb -0.14 -2.42 -0.04 0.00 0.00 0.00 0.00 36.38 33.77 2pd6 s VAL 253 CO 0.04 0.48 0.55 -1.61 0.00 0.00 0.00 175.10 174.56 2pd6 s GLU 254 N 0.83 4.33 -0.54 2.72 2.02 -1.26 -0.36 118.70 126.44 2pd6 s GLU 254 Ca -0.03 0.61 0.04 0.00 0.02 0.00 0.00 54.97 55.61 2pd6 s GLU 254 Cb -0.15 -3.40 0.16 0.00 0.10 0.00 0.00 34.13 30.84 2pd6 s GLU 254 CO 0.01 0.23 0.39 0.08 0.02 0.00 0.00 175.26 175.98 2pd6 s VAL 255 N 0.34 1.60 0.00 2.63 1.01 -0.60 -4.92 120.40 120.45 2pd6 s VAL 255 Ca 0.29 -3.31 0.00 0.00 0.00 0.00 0.00 61.98 58.96 2pd6 s VAL 255 Cb -0.17 -2.08 0.00 0.00 0.00 0.00 0.00 36.38 34.14 2pd6 s VAL 255 CO 0.14 -1.08 0.12 0.35 0.00 0.00 0.00 175.10 174.64 2pd6 n THR 256 N 2.61 0.00 -1.24 3.92 -2.24 -1.26 -0.99 114.28 115.08 2pd6 n THR 256 Ca 0.22 -0.20 -0.08 0.00 -2.27 0.00 0.00 64.05 61.71 2pd6 n THR 256 Cb 0.40 1.38 -0.04 0.00 -2.10 0.00 0.00 70.33 69.97 2pd6 n THR 256 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2pd6 n GLY 257 N 0.15 0.99 1.18 3.38 0.00 -1.26 -1.95 105.19 107.67 2pd6 n GLY 257 Ca 0.00 -0.38 0.00 0.00 0.00 0.00 0.00 46.02 45.64 2pd6 n GLY 257 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2pd6 n GLY 258 N -1.41 0.72 3.59 -0.02 0.00 -1.26 -1.93 105.19 104.88 2pd6 n GLY 258 Ca -0.08 0.00 -0.53 0.00 0.00 0.00 0.00 46.02 45.41 2pd6 n GLY 258 CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22 2pd6 n LEU 259 N 0.00 1.61 -0.24 0.99 7.94 -0.82 -4.39 117.00 122.09 2pd6 n LEU 259 Ca 0.00 1.12 0.03 0.00 -1.11 0.00 0.00 56.01 56.05 2pd6 n LEU 259 Cb 0.00 -1.18 0.03 0.00 0.53 0.00 0.00 43.42 42.80 2pd6 n LEU 259 CO 0.00 -1.05 0.35 2.22 -1.11 0.00 0.00 177.39 177.79