#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2pd6 s LEU 13 N 0.00 3.56 -0.10 0.00 2.96 -1.26 -0.88 118.68 122.96 2pd6 s LEU 13 Ca 0.00 -0.11 0.04 0.00 -0.22 0.00 0.00 54.13 53.84 2pd6 s LEU 13 Cb 0.00 -1.93 -0.00 0.00 0.50 0.00 0.00 46.19 44.75 2pd6 s LEU 13 CO 0.00 0.04 -0.23 0.00 -1.32 0.00 0.00 176.35 174.84 2pd6 s ALA 14 N 1.16 2.22 -0.20 5.97 0.00 0.35 -0.32 121.76 130.94 2pd6 s ALA 14 Ca 0.04 -0.97 -0.06 0.00 0.00 0.00 0.00 51.96 50.97 2pd6 s ALA 14 Cb -0.14 -0.83 -0.03 0.00 0.00 0.00 0.00 23.12 22.11 2pd6 s ALA 14 CO 0.03 0.31 0.04 -1.17 0.00 0.00 0.00 175.76 174.97 2pd6 s LEU 15 N 0.26 3.54 -0.17 0.00 2.96 0.09 0.05 118.68 125.41 2pd6 s LEU 15 Ca -0.16 -0.07 0.01 0.00 -0.22 0.00 0.00 54.13 53.69 2pd6 s LEU 15 Cb -0.17 -1.90 0.02 0.00 0.50 0.00 0.00 46.19 44.64 2pd6 s LEU 15 CO 0.08 0.11 -0.19 -0.69 -1.32 0.00 0.00 176.35 174.33 2pd6 s VAL 16 N 0.77 1.99 0.33 1.68 1.01 -0.42 -1.15 120.40 124.61 2pd6 s VAL 16 Ca 0.02 -0.90 -0.05 0.00 0.00 0.00 0.00 61.98 61.05 2pd6 s VAL 16 Cb -0.14 -1.80 -0.05 0.00 0.00 0.00 0.00 36.38 34.39 2pd6 s VAL 16 CO 0.02 0.53 0.59 0.42 0.00 0.00 0.00 175.10 176.66 2pd6 s THR 17 N 1.26 5.00 -1.28 3.92 -4.23 -0.48 -0.83 115.64 119.02 2pd6 s THR 17 Ca 0.04 0.04 0.00 0.00 -1.18 0.00 0.00 61.69 60.58 2pd6 s THR 17 Cb -0.13 -3.77 0.00 0.00 1.34 0.00 0.00 72.50 69.94 2pd6 s THR 17 CO -0.12 -0.43 0.00 0.61 -0.54 0.00 0.00 174.62 174.15 2pd6 n GLY 18 N -1.23 0.30 0.00 3.99 0.00 -0.56 -2.46 105.19 105.23 2pd6 n GLY 18 Ca -0.02 -0.32 0.11 0.00 0.00 0.00 0.00 46.02 45.79 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 -0.78 2.04 1.40 4.61 0.00 -0.45 -3.60 120.51 123.74 2pd6 n ALA 19 Ca -0.16 -0.08 0.14 0.00 0.00 0.00 0.00 53.44 53.35 2pd6 n ALA 19 Cb 0.57 -1.37 0.74 0.00 0.00 0.00 0.00 19.45 19.40 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 0.82 -1.22 3.47 0.00 0.00 -1.26 -3.13 105.19 103.87 2pd6 n GLY 20 Ca 0.06 -0.14 -0.11 0.00 0.00 0.00 0.00 46.02 45.83 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 -2.53 -0.49 0.03 1.61 0.15 -1.24 -4.71 113.70 106.53 2pd6 s SER 21 Ca 0.29 -0.12 0.00 0.00 0.70 0.00 0.00 55.95 56.81 2pd6 s SER 21 Cb 0.19 0.60 0.00 0.00 -1.71 0.00 0.00 66.02 65.11 2pd6 s SER 21 CO 0.43 -1.01 0.00 0.61 1.20 0.00 0.00 173.24 174.48 2pd6 n GLY 22 N -0.37 2.12 0.07 9.45 0.00 -1.26 -1.65 105.19 113.55 2pd6 n GLY 22 Ca -0.15 0.33 -0.13 0.00 0.00 0.00 0.00 46.02 46.08 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 1.12 -0.99 -0.61 2.04 -1.90 -1.71 117.51 115.44 2pd6 h ILE 23 Ca 0.00 -0.55 0.15 0.00 1.00 0.00 0.00 64.86 65.46 2pd6 h ILE 23 Cb 0.00 1.48 -0.09 0.00 -0.74 0.00 0.00 36.82 37.47 2pd6 h ILE 23 CO 0.00 0.14 0.62 1.23 0.00 0.00 0.00 178.15 180.14 2pd6 h GLY 24 N -0.31 1.65 0.88 5.37 0.00 -1.55 0.59 103.07 109.69 2pd6 h GLY 24 Ca -0.01 -0.39 -0.03 0.00 0.00 0.00 0.00 47.33 46.91 2pd6 h GLY 24 CO 0.01 0.08 0.06 -0.09 0.00 0.00 0.00 176.54 176.60 2pd6 h ARG 25 N 0.88 0.44 -0.85 4.80 2.43 -0.92 -2.30 114.38 118.87 2pd6 h ARG 25 Ca 0.52 -0.11 -0.03 0.00 -0.81 0.00 0.00 59.98 59.55 2pd6 h ARG 25 Cb 0.66 -0.06 -0.04 0.00 -0.42 0.00 0.00 29.97 30.12 2pd6 h ARG 25 CO -0.30 0.54 0.42 0.00 -1.51 0.00 0.00 179.97 179.12 2pd6 h ALA 26 N 0.89 1.13 -0.60 2.80 0.00 -0.38 -1.22 119.26 121.88 2pd6 h ALA 26 Ca 0.09 -0.16 -0.04 0.00 0.00 0.00 0.00 54.91 54.80 2pd6 h ALA 26 Cb 0.30 -0.34 -0.03 0.00 0.00 0.00 0.00 17.79 17.72 2pd6 h ALA 26 CO 0.00 0.66 0.22 0.28 0.00 0.00 0.00 179.25 180.41 2pd6 h VAL 27 N 1.21 1.24 -0.46 0.00 2.07 -0.89 -0.12 116.25 119.29 2pd6 h VAL 27 Ca 0.29 -0.77 0.00 0.00 0.82 0.00 0.00 66.70 67.05 2pd6 h VAL 27 Cb 0.10 0.60 -0.02 0.00 -1.52 0.00 0.00 31.29 30.45 2pd6 h VAL 27 CO -0.04 0.30 0.29 0.28 0.02 0.00 0.00 177.57 178.42 2pd6 h SER 28 N 0.85 0.55 -0.34 0.57 0.02 -1.08 -0.01 113.55 114.10 2pd6 h SER 28 Ca 0.20 -0.04 0.00 0.00 -0.84 0.00 0.00 61.79 61.11 2pd6 h SER 28 Cb 0.24 -0.14 -0.02 0.00 0.14 0.00 0.00 62.40 62.63 2pd6 h SER 28 CO -0.01 0.42 0.22 0.58 -1.14 0.00 0.00 176.83 176.91 2pd6 h VAL 29 N 0.62 1.09 0.04 2.27 2.07 -1.01 -1.95 116.25 119.38 2pd6 h VAL 29 Ca 0.17 -0.17 -0.00 0.00 0.82 0.00 0.00 66.70 67.51 2pd6 h VAL 29 Cb -0.03 0.60 0.00 0.00 -1.52 0.00 0.00 31.29 30.34 2pd6 h VAL 29 CO -0.03 0.09 -0.02 -0.09 0.02 0.00 0.00 177.57 177.53 2pd6 h ARG 30 N 0.46 -0.05 -0.45 1.57 9.65 -0.66 -1.35 114.38 123.55 2pd6 h ARG 30 Ca 0.12 0.00 -0.06 0.00 -1.10 0.00 0.00 59.98 58.95 2pd6 h ARG 30 Cb -0.05 0.01 -0.02 0.00 -1.39 0.00 0.00 29.97 28.52 2pd6 h ARG 30 CO -0.03 0.11 0.03 -0.07 2.80 0.00 0.00 179.97 182.81 2pd6 h LEU 31 N -0.21 0.67 -0.86 3.80 3.38 -1.02 -1.73 115.31 119.35 2pd6 h LEU 31 Ca -0.01 -0.14 -0.12 0.00 0.09 0.00 0.00 57.88 57.71 2pd6 h LEU 31 Cb 0.19 -0.18 -0.01 0.00 0.09 0.00 0.00 40.66 40.75 2pd6 h LEU 31 CO 0.01 0.72 -0.52 0.00 0.09 0.00 0.00 178.44 178.74 2pd6 h ALA 32 N 1.36 1.05 -0.03 1.53 0.00 -1.26 -1.20 119.26 120.71 2pd6 h ALA 32 Ca 0.14 -0.48 -0.09 0.00 0.00 0.00 0.00 54.91 54.47 2pd6 h ALA 32 Cb 0.37 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.06 2pd6 h ALA 32 CO 0.01 0.66 -0.42 0.78 0.00 0.00 0.00 179.25 180.28 2pd6 h GLY 33 N 1.48 0.07 0.58 0.00 0.00 -0.72 -2.77 103.07 101.71 2pd6 h GLY 33 Ca 0.00 -0.06 0.00 0.00 0.00 0.00 0.00 47.33 47.27 2pd6 h GLY 33 CO 0.07 0.06 0.00 1.18 0.00 0.00 0.00 176.54 177.85 2pd6 n GLU 34 N -4.03 1.09 0.00 4.80 1.02 -0.70 -4.89 120.64 117.93 2pd6 n GLU 34 Ca -0.02 -0.14 0.00 0.00 -0.02 0.00 0.00 57.16 56.98 2pd6 n GLU 34 Cb 0.46 -1.39 0.00 0.00 -0.02 0.00 0.00 31.44 30.48 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 0.92 0.62 3.76 0.62 0.00 -1.04 -5.07 105.19 104.99 2pd6 n GLY 35 Ca 0.18 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.84 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 2.63 -0.10 4.61 0.00 -0.49 -4.67 121.76 121.74 2pd6 s ALA 36 Ca 0.00 1.02 -0.21 0.00 0.00 0.00 0.00 51.96 52.77 2pd6 s ALA 36 Cb 0.00 -3.45 -0.04 0.00 0.00 0.00 0.00 23.12 19.63 2pd6 s ALA 36 CO 0.00 -1.10 0.60 0.99 0.00 0.00 0.00 175.76 176.25 2pd6 s THR 37 N -1.57 5.11 -0.16 0.00 2.01 -0.06 -4.34 115.64 116.63 2pd6 s THR 37 Ca 0.75 1.22 -0.02 0.00 0.31 0.00 0.00 61.69 63.95 2pd6 s THR 37 Cb -0.31 -3.94 -0.02 0.00 0.01 0.00 0.00 72.50 68.25 2pd6 s THR 37 CO 0.34 0.28 -0.08 -0.69 -0.69 0.00 0.00 174.62 173.78 2pd6 s VAL 38 N 0.78 3.41 -0.51 3.82 1.01 -1.26 -0.50 120.40 127.16 2pd6 s VAL 38 Ca 0.32 -0.52 -0.20 0.00 0.00 0.00 0.00 61.98 61.59 2pd6 s VAL 38 Cb -0.16 -2.49 0.06 0.00 0.00 0.00 0.00 36.38 33.78 2pd6 s VAL 38 CO 0.14 0.48 0.67 0.00 0.00 0.00 0.00 175.10 176.39 2pd6 s ALA 39 N 0.69 3.36 -0.32 5.51 0.00 0.11 -1.68 121.76 129.42 2pd6 s ALA 39 Ca -0.04 -1.67 -0.18 0.00 0.00 0.00 0.00 51.96 50.08 2pd6 s ALA 39 Cb -0.15 -3.40 -0.01 0.00 0.00 0.00 0.00 23.12 19.56 2pd6 s ALA 39 CO 0.02 -2.05 0.50 0.00 0.00 0.00 0.00 175.76 174.22 2pd6 s ALA 40 N 2.80 3.51 -0.06 0.00 0.00 -0.05 -1.30 121.76 126.65 2pd6 s ALA 40 Ca 0.17 -0.91 0.04 0.00 0.00 0.00 0.00 51.96 51.26 2pd6 s ALA 40 Cb -0.18 -2.95 -0.02 0.00 0.00 0.00 0.00 23.12 19.97 2pd6 s ALA 40 CO 0.13 -1.06 -0.18 0.00 0.00 0.00 0.00 175.76 174.65 2pd6 s ASP 42 N -0.33 -0.43 0.29 0.00 -1.08 -0.43 -1.34 116.67 113.34 2pd6 s ASP 42 Ca 0.02 0.27 0.02 0.00 -0.52 0.00 0.00 52.55 52.35 2pd6 s ASP 42 Cb -0.13 0.46 0.59 0.00 -1.46 0.00 0.00 42.92 42.39 2pd6 s ASP 42 CO 0.02 -0.64 1.82 0.25 0.52 0.00 0.00 175.17 177.15 2pd6 h LEU 43 N 3.06 0.91 -8.45 -1.34 5.85 -1.85 -3.08 115.31 110.40 2pd6 h LEU 43 Ca -0.30 0.06 -0.65 0.00 0.84 0.00 0.00 57.88 57.83 2pd6 h LEU 43 Cb 1.19 -0.12 -0.15 0.00 0.37 0.00 0.00 40.66 41.95 2pd6 h LEU 43 CO 0.41 0.45 0.30 -0.62 -0.34 0.00 0.00 178.44 178.64 2pd6 s ASP 44 N -5.64 6.29 0.21 1.25 -1.08 -1.26 -4.69 116.67 111.74 2pd6 s ASP 44 Ca -0.12 -0.60 -0.08 0.00 -0.52 0.00 0.00 52.55 51.24 2pd6 s ASP 44 Cb 0.23 -2.36 0.14 0.00 -1.46 0.00 0.00 42.92 39.47 2pd6 s ASP 44 CO 0.81 -1.04 1.74 0.08 0.52 0.00 0.00 175.17 177.28 2pd6 h ARG 45 N 9.13 1.16 -0.24 4.34 -0.00 -1.91 -2.25 114.38 124.62 2pd6 h ARG 45 Ca -0.27 -0.25 -0.07 0.00 -0.00 0.00 0.00 59.98 59.39 2pd6 h ARG 45 Cb 1.08 -0.17 -0.01 0.00 -0.00 0.00 0.00 29.97 30.87 2pd6 h ARG 45 CO 1.02 0.99 -0.15 0.00 -0.00 0.00 0.00 179.97 181.83 2pd6 h ALA 46 N 1.13 1.31 -0.23 0.08 0.00 -1.94 -1.38 119.26 118.22 2pd6 h ALA 46 Ca 0.24 -0.26 -0.01 0.00 0.00 0.00 0.00 54.91 54.88 2pd6 h ALA 46 Cb 0.31 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 17.98 2pd6 h ALA 46 CO -0.01 0.46 0.11 0.00 0.00 0.00 0.00 179.25 179.81 2pd6 h ALA 47 N 1.48 0.30 0.17 0.00 0.00 -1.76 -2.29 119.26 117.15 2pd6 h ALA 47 Ca 0.07 -0.09 -0.01 0.00 0.00 0.00 0.00 54.91 54.88 2pd6 h ALA 47 Cb 0.49 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.19 2pd6 h ALA 47 CO 0.03 -0.13 -0.08 0.00 0.00 0.00 0.00 179.25 179.07 2pd6 h ALA 48 N 0.96 -0.22 -0.69 0.00 0.00 -1.18 -1.44 119.26 116.70 2pd6 h ALA 48 Ca 0.08 -0.05 0.07 0.00 0.00 0.00 0.00 54.91 55.01 2pd6 h ALA 48 Cb 0.13 0.09 -0.04 0.00 0.00 0.00 0.00 17.79 17.96 2pd6 h ALA 48 CO -0.01 -0.62 0.45 -0.56 0.00 0.00 0.00 179.25 178.51 2pd6 h GLN 49 N -0.23 0.64 -0.20 0.00 3.07 -1.25 0.14 115.11 117.27 2pd6 h GLN 49 Ca -0.02 -0.04 -0.20 0.00 0.09 0.00 0.00 58.65 58.47 2pd6 h GLN 49 Cb 0.18 -0.14 0.00 0.00 0.08 0.00 0.00 27.48 27.60 2pd6 h GLN 49 CO 0.04 0.42 -0.68 1.49 0.09 0.00 0.00 178.83 180.18 2pd6 h GLU 50 N 0.65 0.79 -0.28 0.06 4.57 -1.22 -0.59 114.58 118.56 2pd6 h GLU 50 Ca 0.30 -0.58 0.05 0.00 -1.18 0.00 0.00 59.36 57.95 2pd6 h GLU 50 Cb 0.34 0.10 -0.04 0.00 -0.16 0.00 0.00 28.75 28.99 2pd6 h GLU 50 CO -0.10 1.20 -0.01 1.15 -1.18 0.00 0.00 179.01 180.07 2pd6 h THR 51 N 0.57 0.79 -0.56 0.32 2.02 -0.12 -1.51 112.91 114.42 2pd6 h THR 51 Ca -0.02 -0.03 0.03 0.00 0.77 0.00 0.00 66.41 67.16 2pd6 h THR 51 Cb 1.30 0.71 -0.04 0.00 -1.74 0.00 0.00 68.15 68.38 2pd6 h THR 51 CO 0.14 0.01 0.34 0.58 0.37 0.00 0.00 175.52 176.96 2pd6 h VAL 52 N 0.08 1.05 0.00 3.16 2.07 -0.78 -1.40 116.25 120.43 2pd6 h VAL 52 Ca 0.13 -0.23 -0.03 0.00 0.82 0.00 0.00 66.70 67.40 2pd6 h VAL 52 Cb 0.18 0.33 -0.00 0.00 -1.52 0.00 0.00 31.29 30.27 2pd6 h VAL 52 CO -0.23 0.12 -0.13 -0.09 0.02 0.00 0.00 177.57 177.26 2pd6 h ARG 53 N 0.67 0.00 0.00 1.57 1.12 -0.88 -2.21 114.38 114.65 2pd6 h ARG 53 Ca 0.23 0.00 0.00 0.00 -1.11 0.00 0.00 59.98 59.10 2pd6 h ARG 53 Cb 0.03 0.00 0.00 0.00 -0.01 0.00 0.00 29.97 29.99 2pd6 h ARG 53 CO -0.10 0.13 0.00 1.28 -3.11 0.00 0.00 179.97 178.17 2pd6 n LEU 54 N -3.72 0.37 0.00 3.80 4.77 -0.55 -5.09 117.00 116.59 2pd6 n LEU 54 Ca -0.02 0.54 0.00 0.00 -0.03 0.00 0.00 56.01 56.50 2pd6 n LEU 54 Cb 0.24 -0.42 0.00 0.00 -2.33 0.00 0.00 43.42 40.91 2pd6 n LEU 54 CO 0.31 -0.10 0.00 0.18 -1.33 0.00 0.00 177.39 176.45 2pd6 n LEU 55 N -1.85 0.00 -4.65 2.23 4.77 -0.84 -5.05 117.00 111.61 2pd6 n LEU 55 Ca 0.06 0.00 -0.41 0.00 -0.03 0.00 0.00 56.01 55.63 2pd6 n LEU 55 Cb 0.37 0.00 -0.05 0.00 -2.33 0.00 0.00 43.42 41.41 2pd6 n LEU 55 CO 0.28 0.00 0.49 0.21 -1.33 0.00 0.00 177.39 177.04 2pd6 s ASN 68 N -1.00 6.76 0.52 -1.43 3.84 -1.26 -5.07 114.94 117.30 2pd6 s ASN 68 Ca 0.00 0.94 -0.21 0.00 0.21 0.00 0.00 52.86 53.79 2pd6 s ASN 68 Cb 0.00 -2.39 -0.07 0.00 -0.55 0.00 0.00 41.25 38.24 2pd6 s ASN 68 CO 0.00 -0.37 1.01 1.41 -2.79 0.00 0.00 177.10 176.36 2pd6 n HIS 69 N 5.38 1.08 -3.86 0.43 -0.00 -1.26 -4.82 115.22 112.17 2pd6 n HIS 69 Ca 0.02 0.48 -0.11 0.00 -0.00 0.00 0.00 57.72 58.11 2pd6 n HIS 69 Cb 0.49 -2.20 -0.09 0.00 -0.00 0.00 0.00 29.99 28.19 2pd6 n HIS 69 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.34 176.34 2pd6 s ALA 70 N -1.40 -0.32 -0.11 -1.41 0.00 -0.67 -4.99 121.76 112.86 2pd6 s ALA 70 Ca 0.69 -0.26 -0.05 0.00 0.00 0.00 0.00 51.96 52.34 2pd6 s ALA 70 Cb -0.48 0.22 -0.04 0.00 0.00 0.00 0.00 23.12 22.82 2pd6 s ALA 70 CO 0.52 -0.31 0.09 0.00 0.00 0.00 0.00 175.76 176.07 2pd6 s ALA 71 N -2.19 3.68 0.05 0.00 0.00 -1.26 -0.87 121.76 121.18 2pd6 s ALA 71 Ca -0.08 -0.70 0.05 0.00 0.00 0.00 0.00 51.96 51.23 2pd6 s ALA 71 Cb -0.03 -1.81 -0.02 0.00 0.00 0.00 0.00 23.12 21.26 2pd6 s ALA 71 CO -0.02 0.61 -0.13 -0.06 0.00 0.00 0.00 175.76 176.15 2pd6 s PHE 72 N -0.97 1.16 -0.12 0.00 0.08 0.23 -4.92 117.98 113.44 2pd6 s PHE 72 Ca 0.14 -0.39 -0.02 0.00 0.12 0.00 0.00 56.93 56.79 2pd6 s PHE 72 Cb -0.12 -0.68 -0.03 0.00 -0.57 0.00 0.00 43.02 41.63 2pd6 s PHE 72 CO 0.03 0.03 -0.06 -1.14 -0.10 0.00 0.00 175.22 173.99 2pd6 s GLN 73 N -1.34 3.32 -0.14 0.44 -0.44 -1.26 -1.32 119.66 118.92 2pd6 s GLN 73 Ca -0.00 -0.54 -0.29 0.00 -2.50 0.00 0.00 55.36 52.02 2pd6 s GLN 73 Cb -0.09 -2.77 0.09 0.00 -1.64 0.00 0.00 33.01 28.60 2pd6 s GLN 73 CO 0.01 0.40 0.82 0.00 0.50 0.00 0.00 175.29 177.02 2pd6 s ALA 74 N -0.07 -1.84 -0.49 1.58 0.00 -1.16 -4.93 121.76 114.84 2pd6 s ALA 74 Ca 0.01 1.57 -0.17 0.00 0.00 0.00 0.00 51.96 53.37 2pd6 s ALA 74 Cb -0.13 -0.55 0.07 0.00 0.00 0.00 0.00 23.12 22.51 2pd6 s ALA 74 CO 0.03 -0.33 0.50 0.34 0.00 0.00 0.00 175.76 176.29 2pd6 s ASP 75 N -0.77 6.18 0.52 0.00 -1.08 -1.26 -3.01 116.67 117.25 2pd6 s ASP 75 Ca -0.05 -1.20 0.35 0.00 -0.52 0.00 0.00 52.55 51.13 2pd6 s ASP 75 Cb -0.01 -2.23 1.81 0.00 -1.46 0.00 0.00 42.92 41.03 2pd6 s ASP 75 CO 0.04 -0.77 2.07 -0.37 0.52 0.00 0.00 175.17 176.66 2pd6 h VAL 76 N 5.81 0.00 0.00 1.11 -1.51 -1.93 -2.53 116.25 117.19 2pd6 h VAL 76 Ca -0.28 -0.10 0.00 0.00 -1.23 0.00 0.00 66.70 65.09 2pd6 h VAL 76 Cb 1.10 0.94 0.00 0.00 -2.13 0.00 0.00 31.29 31.20 2pd6 h VAL 76 CO 0.93 0.00 0.00 0.77 -1.23 0.00 0.00 177.57 178.04 2pd6 h SER 77 N 0.00 0.00 -3.65 4.19 4.64 -1.86 -3.38 113.55 113.49 2pd6 h SER 77 Ca 0.00 0.00 -0.63 0.00 -0.47 0.00 0.00 61.79 60.69 2pd6 h SER 77 Cb 0.11 0.00 -0.16 0.00 -0.31 0.00 0.00 62.40 62.05 2pd6 h SER 77 CO 0.00 0.00 -0.52 -1.61 -0.87 0.00 0.00 176.83 173.83 2pd6 s GLU 78 N -3.36 4.01 0.18 4.77 8.01 -0.95 -4.73 118.70 126.63 2pd6 s GLU 78 Ca 0.04 -0.30 -0.13 0.00 0.01 0.00 0.00 54.97 54.60 2pd6 s GLU 78 Cb 0.09 -3.54 0.13 0.00 -4.31 0.00 0.00 34.13 26.51 2pd6 s GLU 78 CO 0.46 -0.00 1.81 0.00 0.01 0.00 0.00 175.26 177.53 2pd6 h ALA 79 N 7.72 0.70 -0.65 5.21 0.00 -1.87 -1.76 119.26 128.61 2pd6 h ALA 79 Ca -0.37 -0.00 -0.06 0.00 0.00 0.00 0.00 54.91 54.48 2pd6 h ALA 79 Cb 1.18 -0.13 -0.03 0.00 0.00 0.00 0.00 17.79 18.80 2pd6 h ALA 79 CO 0.63 0.01 0.18 0.07 0.00 0.00 0.00 179.25 180.14 2pd6 h ARG 80 N 0.61 1.03 -0.45 0.00 -0.00 -1.95 -2.18 114.38 111.45 2pd6 h ARG 80 Ca 0.23 -0.23 0.01 0.00 -0.00 0.00 0.00 59.98 59.98 2pd6 h ARG 80 Cb 0.06 -0.14 -0.03 0.00 -0.00 0.00 0.00 29.97 29.86 2pd6 h ARG 80 CO -0.12 0.91 0.28 0.00 -0.00 0.00 0.00 179.97 181.05 2pd6 h ALA 81 N 1.07 0.57 -0.31 0.08 0.00 -1.69 -0.19 119.26 118.79 2pd6 h ALA 81 Ca 0.21 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 55.10 2pd6 h ALA 81 Cb 0.33 -0.16 -0.02 0.00 0.00 0.00 0.00 17.79 17.94 2pd6 h ALA 81 CO -0.00 -0.01 0.20 0.00 0.00 0.00 0.00 179.25 179.43 2pd6 h ALA 82 N 1.18 0.40 -0.70 0.00 0.00 -1.15 0.14 119.26 119.14 2pd6 h ALA 82 Ca 0.17 -0.04 -0.06 0.00 0.00 0.00 0.00 54.91 54.98 2pd6 h ALA 82 Cb -0.03 -0.13 -0.03 0.00 0.00 0.00 0.00 17.79 17.60 2pd6 h ALA 82 CO -0.06 -0.12 0.20 0.07 0.00 0.00 0.00 179.25 179.35 2pd6 h ARG 83 N 0.41 1.09 -0.29 0.00 -0.00 -1.26 -2.89 114.38 111.44 2pd6 h ARG 83 Ca 0.11 -0.24 -0.13 0.00 -0.00 0.00 0.00 59.98 59.72 2pd6 h ARG 83 Cb -0.01 -0.15 -0.01 0.00 -0.00 0.00 0.00 29.97 29.79 2pd6 h ARG 83 CO -0.02 0.95 -0.34 0.00 -0.00 0.00 0.00 179.97 180.56 2pd6 h LEU 85 N 0.55 -0.57 -1.49 0.00 5.85 -0.61 0.84 115.31 119.88 2pd6 h LEU 85 Ca 0.06 0.10 -0.04 0.00 0.84 0.00 0.00 57.88 58.83 2pd6 h LEU 85 Cb 0.85 0.26 -0.01 0.00 0.37 0.00 0.00 40.66 42.13 2pd6 h LEU 85 CO 0.07 -0.24 -0.20 -0.07 -0.34 0.00 0.00 178.44 177.67 2pd6 h LEU 86 N -0.25 0.00 -0.07 2.25 -0.00 -1.30 -1.10 115.31 114.84 2pd6 h LEU 86 Ca 0.09 0.00 -0.02 0.00 -0.00 0.00 0.00 57.88 57.95 2pd6 h LEU 86 Cb 0.38 0.00 -0.00 0.00 -0.00 0.00 0.00 40.66 41.03 2pd6 h LEU 86 CO -0.25 0.20 -0.05 -0.33 -0.00 0.00 0.00 178.44 178.01 2pd6 h GLU 87 N 0.00 0.16 -0.49 1.13 4.39 -0.47 -2.90 114.58 116.40 2pd6 h GLU 87 Ca -0.00 -0.07 -0.09 0.00 0.34 0.00 0.00 59.36 59.53 2pd6 h GLU 87 Cb 0.56 -0.00 -0.02 0.00 -0.10 0.00 0.00 28.75 29.19 2pd6 h GLU 87 CO 0.03 0.55 -0.07 1.96 -1.16 0.00 0.00 179.01 180.32 2pd6 h GLN 88 N -0.24 0.88 -0.09 2.33 4.20 -0.46 -1.24 115.11 120.48 2pd6 h GLN 88 Ca 0.01 -0.29 -0.00 0.00 0.06 0.00 0.00 58.65 58.44 2pd6 h GLN 88 Cb 0.51 -0.08 -0.00 0.00 0.30 0.00 0.00 27.48 28.21 2pd6 h GLN 88 CO 0.01 0.92 0.05 0.28 -0.67 0.00 0.00 178.83 179.43 2pd6 h VAL 89 N 0.80 1.06 -0.08 -0.54 2.07 -1.31 -1.42 116.25 116.83 2pd6 h VAL 89 Ca 0.14 -0.16 -0.05 0.00 0.82 0.00 0.00 66.70 67.46 2pd6 h VAL 89 Cb 0.58 1.00 -0.01 0.00 -1.52 0.00 0.00 31.29 31.34 2pd6 h VAL 89 CO 0.04 0.05 -0.17 1.56 0.02 0.00 0.00 177.57 179.07 2pd6 h GLN 90 N 0.08 0.12 0.00 1.57 4.20 -1.34 -0.42 115.11 119.32 2pd6 h GLN 90 Ca 0.03 -0.03 -0.13 0.00 0.06 0.00 0.00 58.65 58.58 2pd6 h GLN 90 Cb 0.04 -0.02 -0.02 0.00 0.30 0.00 0.00 27.48 27.78 2pd6 h GLN 90 CO -0.01 0.29 -0.64 0.00 -0.67 0.00 0.00 178.83 177.81 2pd6 h ALA 91 N 1.72 0.65 0.14 3.87 0.00 -1.07 -0.57 119.26 124.00 2pd6 h ALA 91 Ca 0.02 -0.58 -0.20 0.00 0.00 0.00 0.00 54.91 54.15 2pd6 h ALA 91 Cb 0.37 -0.10 0.02 0.00 0.00 0.00 0.00 17.79 18.08 2pd6 h ALA 91 CO 0.02 0.80 -0.89 0.00 0.00 0.00 0.00 179.25 179.19 2pd6 n PHE 93 N -4.08 0.00 -1.36 0.00 3.72 -0.20 -4.98 117.46 110.56 2pd6 n PHE 93 Ca -0.14 0.00 -0.12 0.00 -0.05 0.00 0.00 57.45 57.14 2pd6 n PHE 93 Cb 0.85 0.00 -0.05 0.00 -0.94 0.00 0.00 39.48 39.34 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 -1.14 -4.57 -3.58 4.37 7.64 -0.22 -4.97 113.62 111.15 2pd6 n SER 94 Ca 0.05 0.31 -0.09 0.00 1.01 0.00 0.00 58.87 60.15 2pd6 n SER 94 Cb 0.35 -3.17 -0.02 0.00 -1.01 0.00 0.00 64.21 60.36 2pd6 n SER 94 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 2pd6 s ARG 95 N -3.02 1.28 0.51 1.43 1.70 -1.23 -5.04 118.95 114.58 2pd6 s ARG 95 Ca 0.00 -0.57 -0.12 0.00 -0.47 0.00 0.00 55.73 54.57 2pd6 s ARG 95 Cb 0.00 0.52 -0.06 0.00 -0.57 0.00 0.00 34.95 34.84 2pd6 s ARG 95 CO 0.00 -0.57 0.92 -1.25 -1.08 0.00 0.00 175.30 173.32 2pd6 s PRO 96 N -3.59 3.77 0.20 3.89 0.04 -1.26 -4.14 135.00 133.91 2pd6 s PRO 96 Ca 0.05 0.69 -0.30 0.00 0.04 0.00 0.00 61.00 61.48 2pd6 s PRO 96 Cb -0.02 -2.22 -0.09 0.00 0.04 0.00 0.00 34.50 32.21 2pd6 s PRO 96 CO -0.06 -0.28 1.36 -1.25 0.04 0.00 0.00 177.00 176.82 2pd6 s PRO 97 N -4.38 4.34 0.00 0.56 0.04 -1.26 -4.80 135.00 129.50 2pd6 s PRO 97 Ca 0.55 2.13 0.23 0.00 0.04 0.00 0.00 61.00 63.95 2pd6 s PRO 97 Cb -0.10 -3.18 0.10 0.00 0.04 0.00 0.00 34.50 31.36 2pd6 s PRO 97 CO 0.39 -0.34 1.18 -1.13 0.04 0.00 0.00 177.00 177.14 2pd6 n SER 98 N 2.82 2.44 -3.84 6.66 3.41 0.56 -4.80 113.62 120.88 2pd6 n SER 98 Ca 0.07 -1.72 -0.21 0.00 -0.26 0.00 0.00 58.87 56.75 2pd6 n SER 98 Cb 0.42 0.26 -0.17 0.00 -0.26 0.00 0.00 64.21 64.46 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 -2.26 0.44 -0.07 -3.33 1.01 -0.97 -1.30 120.40 113.91 2pd6 s VAL 99 Ca 0.23 -0.01 -0.00 0.00 0.00 0.00 0.00 61.98 62.20 2pd6 s VAL 99 Cb 0.19 -0.52 0.03 0.00 0.00 0.00 0.00 36.38 36.08 2pd6 s VAL 99 CO 0.45 0.23 -0.03 -0.69 0.00 0.00 0.00 175.10 175.06 2pd6 s VAL 100 N 1.33 0.60 -0.22 2.92 1.01 -0.78 -0.73 120.40 124.53 2pd6 s VAL 100 Ca -0.05 -0.06 0.01 0.00 0.00 0.00 0.00 61.98 61.88 2pd6 s VAL 100 Cb -0.13 -0.68 0.05 0.00 0.00 0.00 0.00 36.38 35.61 2pd6 s VAL 100 CO -0.02 0.28 -0.07 -0.69 0.00 0.00 0.00 175.10 174.59 2pd6 s VAL 101 N 1.60 1.59 -0.58 2.92 1.01 -0.30 -0.19 120.40 126.45 2pd6 s VAL 101 Ca 0.00 -1.14 -0.20 0.00 0.00 0.00 0.00 61.98 60.64 2pd6 s VAL 101 Cb -0.13 -1.78 0.08 0.00 0.00 0.00 0.00 36.38 34.56 2pd6 s VAL 101 CO -0.04 0.01 0.76 -0.44 0.00 0.00 0.00 175.10 175.39 2pd6 s SER 102 N 1.39 6.20 0.00 3.32 0.01 -0.61 -1.38 113.70 122.63 2pd6 s SER 102 Ca -0.04 -1.14 0.10 0.00 1.31 0.00 0.00 55.95 56.18 2pd6 s SER 102 Cb -0.18 -2.33 -0.01 0.00 0.21 0.00 0.00 66.02 63.71 2pd6 s SER 102 CO -0.07 -1.14 0.63 0.00 0.41 0.00 0.00 173.24 173.07 2pd6 s ALA 104 N -1.42 3.61 -0.28 0.00 0.00 -1.17 -4.65 121.76 117.84 2pd6 s ALA 104 Ca 0.08 1.07 -0.32 0.00 0.00 0.00 0.00 51.96 52.80 2pd6 s ALA 104 Cb 0.08 -3.58 0.18 0.00 0.00 0.00 0.00 23.12 19.81 2pd6 s ALA 104 CO 0.27 -0.77 1.36 0.20 0.00 0.00 0.00 175.76 176.82 2pd6 s GLY 105 N 1.50 0.01 0.16 0.00 0.00 -1.26 -4.61 107.32 103.11 2pd6 s GLY 105 Ca 0.66 2.58 0.02 0.00 0.00 0.00 0.00 44.72 47.98 2pd6 s GLY 105 CO 0.29 0.98 -0.03 -0.26 0.00 0.00 0.00 173.10 174.08 2pd6 s ILE 106 N -1.31 0.79 0.11 0.90 -4.36 -1.26 -5.05 121.20 111.03 2pd6 s ILE 106 Ca 0.10 -1.99 0.10 0.00 -0.26 0.00 0.00 60.65 58.60 2pd6 s ILE 106 Cb -0.01 -2.00 -0.04 0.00 1.25 0.00 0.00 42.46 41.66 2pd6 s ILE 106 CO -0.07 -0.59 -0.24 0.42 0.24 0.00 0.00 174.94 174.70 2pd6 s THR 107 N -3.57 2.39 -0.41 8.37 -4.23 -1.26 -4.93 115.64 112.00 2pd6 s THR 107 Ca 0.20 -1.60 0.04 0.00 -1.18 0.00 0.00 61.69 59.15 2pd6 s THR 107 Cb 0.05 -2.04 0.17 0.00 1.34 0.00 0.00 72.50 72.02 2pd6 s THR 107 CO 0.02 0.16 0.38 -1.58 -0.54 0.00 0.00 174.62 173.06 2pd6 s GLN 108 N -1.89 0.84 0.30 3.99 0.74 -1.26 -5.06 119.66 117.32 2pd6 s GLN 108 Ca 0.14 -1.69 -0.28 0.00 0.05 0.00 0.00 55.36 53.59 2pd6 s GLN 108 Cb -0.10 -1.11 -0.09 0.00 1.10 0.00 0.00 33.01 32.81 2pd6 s GLN 108 CO 0.06 -1.33 1.02 -0.51 -0.55 0.00 0.00 175.29 173.98 2pd6 s ASP 109 N 0.50 7.28 -0.16 6.67 1.01 -1.26 -4.89 116.67 125.82 2pd6 s ASP 109 Ca 0.28 2.05 -0.30 0.00 0.71 0.00 0.00 52.55 55.29 2pd6 s ASP 109 Cb -0.03 -2.60 0.13 0.00 1.01 0.00 0.00 42.92 41.42 2pd6 s ASP 109 CO -0.13 -0.12 0.99 -0.70 0.21 0.00 0.00 175.17 175.42 2pd6 s GLU 110 N -1.71 0.61 0.32 8.23 2.56 -0.45 -5.05 118.70 123.21 2pd6 s GLU 110 Ca 0.47 0.15 -0.29 0.00 0.00 0.00 0.00 54.97 55.30 2pd6 s GLU 110 Cb -0.26 0.29 -0.11 0.00 2.00 0.00 0.00 34.13 36.05 2pd6 s GLU 110 CO 0.32 -0.19 1.46 -0.06 -0.56 0.00 0.00 175.26 176.24 2pd6 s PHE 111 N -1.12 2.83 0.29 5.30 0.08 -1.26 -4.23 117.98 119.87 2pd6 s PHE 111 Ca -0.02 1.10 0.02 0.00 0.12 0.00 0.00 56.93 58.15 2pd6 s PHE 111 Cb -0.00 -3.91 0.73 0.00 -0.57 0.00 0.00 43.02 39.26 2pd6 s PHE 111 CO 0.02 -2.80 1.48 -0.11 -0.10 0.00 0.00 175.22 173.71 2pd6 n LEU 112 N 1.36 -0.11 0.31 -0.37 7.94 -1.26 0.00 117.00 124.88 2pd6 n LEU 112 Ca 0.04 1.61 0.19 0.00 -1.11 0.00 0.00 56.01 56.73 2pd6 n LEU 112 Cb 0.40 -0.59 1.03 0.00 0.53 0.00 0.00 43.42 44.79 2pd6 n LEU 112 CO 0.62 -1.63 1.13 -0.07 -1.11 0.00 0.00 177.39 176.33 2pd6 h LEU 113 N 0.00 0.00 -2.25 -1.96 3.38 -2.04 -3.04 115.31 109.40 2pd6 h LEU 113 Ca 0.57 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.54 2pd6 h LEU 113 Cb 1.19 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.94 2pd6 h LEU 113 CO -0.89 0.01 0.00 1.41 0.09 0.00 0.00 178.44 179.06 2pd6 n HIS 114 N -3.43 0.00 -2.42 1.13 8.25 0.10 -5.04 115.22 113.82 2pd6 n HIS 114 Ca -0.03 -0.32 -0.43 0.00 -0.26 0.00 0.00 57.72 56.68 2pd6 n HIS 114 Cb 0.10 -0.03 -0.02 0.00 1.12 0.00 0.00 29.99 31.16 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 -0.64 4.22 0.67 -0.41 0.00 -0.72 -4.91 119.30 117.51 2pd6 s MET 115 Ca 0.00 1.65 -0.16 0.00 0.00 0.00 0.00 55.69 57.19 2pd6 s MET 115 Cb 0.00 -3.77 0.01 0.00 0.00 0.00 0.00 34.83 31.06 2pd6 s MET 115 CO 0.00 -0.73 1.17 -1.54 0.00 0.00 0.00 175.02 173.92 2pd6 s SER 116 N 2.04 4.77 0.38 1.11 1.04 -1.26 -4.90 113.70 116.87 2pd6 s SER 116 Ca 0.55 2.23 0.07 0.00 0.48 0.00 0.00 55.95 59.27 2pd6 s SER 116 Cb -0.22 -2.58 0.78 0.00 0.10 0.00 0.00 66.02 64.11 2pd6 s SER 116 CO 0.15 -1.87 1.98 -0.08 0.98 0.00 0.00 173.24 174.41 2pd6 h GLU 117 N 0.10 0.68 -0.19 4.02 4.81 -2.00 -2.03 114.58 119.98 2pd6 h GLU 117 Ca -0.48 -0.04 -0.02 0.00 -0.13 0.00 0.00 59.36 58.69 2pd6 h GLU 117 Cb 1.28 -0.15 -0.01 0.00 0.63 0.00 0.00 28.75 30.50 2pd6 h GLU 117 CO 0.52 0.45 0.04 0.22 -0.73 0.00 0.00 179.01 179.51 2pd6 h ASP 118 N 0.70 0.29 -0.75 1.04 3.58 -1.99 0.26 116.42 119.55 2pd6 h ASP 118 Ca 0.27 -0.24 0.09 0.00 0.42 0.00 0.00 57.03 57.56 2pd6 h ASP 118 Cb 0.19 -0.08 -0.07 0.00 1.72 0.00 0.00 39.33 41.10 2pd6 h ASP 118 CO -0.08 0.46 0.40 0.44 -2.88 0.00 0.00 179.24 177.58 2pd6 h ASP 119 N 0.11 0.57 0.12 2.28 3.32 -1.82 -1.95 116.42 119.04 2pd6 h ASP 119 Ca 0.06 0.05 -0.01 0.00 0.02 0.00 0.00 57.03 57.15 2pd6 h ASP 119 Cb 0.29 -0.06 0.00 0.00 0.22 0.00 0.00 39.33 39.78 2pd6 h ASP 119 CO 0.00 0.33 -0.06 -0.25 -1.72 0.00 0.00 179.24 177.55 2pd6 h TRP 120 N 0.70 -0.15 -0.43 4.55 2.91 -1.17 -3.28 115.95 119.08 2pd6 h TRP 120 Ca 0.36 -0.00 -0.01 0.00 1.13 0.00 0.00 58.89 60.37 2pd6 h TRP 120 Cb 0.32 0.05 -0.02 0.00 -0.51 0.00 0.00 29.16 29.00 2pd6 h TRP 120 CO -0.08 0.20 0.24 -0.44 -1.03 0.00 0.00 178.44 177.33 2pd6 h ASP 121 N -0.52 0.54 -0.20 2.65 3.32 -0.71 -1.97 116.42 119.52 2pd6 h ASP 121 Ca -0.02 -0.09 0.04 0.00 0.02 0.00 0.00 57.03 56.99 2pd6 h ASP 121 Cb 0.42 -0.14 -0.04 0.00 0.22 0.00 0.00 39.33 39.80 2pd6 h ASP 121 CO 0.03 0.47 -0.03 0.50 -1.72 0.00 0.00 179.24 178.48 2pd6 h LYS 122 N 0.56 0.02 -0.54 3.56 1.63 -1.50 0.46 116.57 120.76 2pd6 h LYS 122 Ca 0.15 -0.00 -0.07 0.00 -0.85 0.00 0.00 60.65 59.88 2pd6 h LYS 122 Cb 0.05 -0.00 -0.02 0.00 -0.60 0.00 0.00 32.23 31.65 2pd6 h LYS 122 CO -0.02 0.01 0.05 0.28 -3.45 0.00 0.00 179.45 176.32 2pd6 h VAL 123 N 0.02 1.26 -0.38 2.00 2.07 -1.59 0.60 116.25 120.22 2pd6 h VAL 123 Ca 0.10 -1.02 -0.02 0.00 0.82 0.00 0.00 66.70 66.57 2pd6 h VAL 123 Cb 0.14 0.86 -0.02 0.00 -1.52 0.00 0.00 31.29 30.75 2pd6 h VAL 123 CO -0.19 0.37 0.15 0.40 0.02 0.00 0.00 177.57 178.31 2pd6 h ILE 124 N 0.81 1.19 -0.11 4.57 1.08 -1.16 -1.64 117.51 122.25 2pd6 h ILE 124 Ca 0.16 -0.60 0.00 0.00 -0.39 0.00 0.00 64.86 64.03 2pd6 h ILE 124 Cb 0.46 0.88 -0.01 0.00 -3.07 0.00 0.00 36.82 35.08 2pd6 h ILE 124 CO 0.02 0.21 0.07 0.00 -0.69 0.00 0.00 178.15 177.76 2pd6 h ALA 125 N 1.00 0.13 0.19 1.87 0.00 0.35 -1.70 119.26 121.10 2pd6 h ALA 125 Ca 0.13 -0.02 -0.01 0.00 0.00 0.00 0.00 54.91 55.01 2pd6 h ALA 125 Cb 0.19 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 17.94 2pd6 h ALA 125 CO -0.01 -0.37 -0.09 0.28 0.00 0.00 0.00 179.25 179.06 2pd6 h VAL 126 N 0.13 0.76 -0.07 0.00 2.07 -0.91 -1.38 116.25 116.85 2pd6 h VAL 126 Ca 0.04 -1.04 -0.18 0.00 0.82 0.00 0.00 66.70 66.34 2pd6 h VAL 126 Cb 0.00 1.26 0.01 0.00 -1.52 0.00 0.00 31.29 31.04 2pd6 h VAL 126 CO -0.01 0.19 -0.65 0.78 0.02 0.00 0.00 177.57 177.90 2pd6 h ASN 127 N -0.88 0.68 0.00 0.57 4.21 -1.38 -3.10 115.58 115.68 2pd6 h ASN 127 Ca -0.03 -0.69 0.00 0.00 1.21 0.00 0.00 56.30 56.80 2pd6 h ASN 127 Cb 0.51 -0.21 0.00 0.00 -1.12 0.00 0.00 38.32 37.51 2pd6 h ASN 127 CO 0.04 1.27 -0.70 -0.11 -1.29 0.00 0.00 177.43 176.65 2pd6 n LEU 128 N -4.13 1.57 -0.30 1.61 7.94 -0.84 -3.88 117.00 118.97 2pd6 n LEU 128 Ca -0.09 0.37 -0.02 0.00 -1.11 0.00 0.00 56.01 55.16 2pd6 n LEU 128 Cb 0.68 -0.73 0.11 0.00 0.53 0.00 0.00 43.42 44.01 2pd6 n LEU 128 CO 0.49 -0.36 1.19 0.50 -1.11 0.00 0.00 177.39 178.10 2pd6 h LYS 129 N -0.83 0.98 -0.86 1.96 3.64 -1.34 -1.41 116.57 118.71 2pd6 h LYS 129 Ca 0.00 -0.06 -0.00 0.00 -1.27 0.00 0.00 60.65 59.32 2pd6 h LYS 129 Cb 0.70 -0.22 -0.04 0.00 -0.41 0.00 0.00 32.23 32.26 2pd6 h LYS 129 CO 0.00 0.65 0.54 0.78 -2.27 0.00 0.00 179.45 179.14 2pd6 h GLY 130 N 1.01 1.23 1.13 5.01 0.00 -1.16 0.16 103.07 110.44 2pd6 h GLY 130 Ca 0.33 -0.49 -0.12 0.00 0.00 0.00 0.00 47.33 47.05 2pd6 h GLY 130 CO -0.12 0.48 -0.12 -0.84 0.00 0.00 0.00 176.54 175.94 2pd6 h THR 131 N 1.17 1.27 0.09 4.70 2.02 -1.60 -1.84 112.91 118.73 2pd6 h THR 131 Ca 0.31 -1.27 0.01 0.00 0.77 0.00 0.00 66.41 66.22 2pd6 h THR 131 Cb -0.08 0.98 -0.01 0.00 -1.74 0.00 0.00 68.15 67.29 2pd6 h THR 131 CO -0.06 0.45 -0.11 0.15 0.37 0.00 0.00 175.52 176.31 2pd6 h PHE 132 N 0.90 -0.29 -0.85 3.16 3.57 -0.82 -0.57 116.94 122.03 2pd6 h PHE 132 Ca 0.14 0.00 -0.01 0.00 3.53 0.00 0.00 57.97 61.63 2pd6 h PHE 132 Cb 0.68 0.12 -0.04 0.00 2.79 0.00 0.00 35.95 39.50 2pd6 h PHE 132 CO 0.05 -0.18 0.50 -0.07 -2.23 0.00 0.00 178.31 176.38 2pd6 h LEU 133 N -0.24 1.04 -0.03 0.59 3.38 -0.53 -0.36 115.31 119.16 2pd6 h LEU 133 Ca 0.01 -0.08 -0.16 0.00 0.09 0.00 0.00 57.88 57.74 2pd6 h LEU 133 Cb 0.24 -0.26 0.01 0.00 0.09 0.00 0.00 40.66 40.74 2pd6 h LEU 133 CO -0.05 0.82 -0.61 0.58 0.09 0.00 0.00 178.44 179.27 2pd6 h VAL 134 N 1.18 1.40 -0.72 1.22 2.07 -1.31 -1.01 116.25 119.08 2pd6 h VAL 134 Ca 0.30 -2.03 0.12 0.00 0.82 0.00 0.00 66.70 65.91 2pd6 h VAL 134 Cb -0.02 2.47 -0.08 0.00 -1.52 0.00 0.00 31.29 32.14 2pd6 h VAL 134 CO -0.05 0.60 0.32 0.74 0.02 0.00 0.00 177.57 179.19 2pd6 h THR 135 N -0.00 0.76 -0.16 2.57 2.02 -0.93 0.58 112.91 117.74 2pd6 h THR 135 Ca -0.07 -0.18 -0.05 0.00 0.77 0.00 0.00 66.41 66.88 2pd6 h THR 135 Cb 1.30 0.20 -0.00 0.00 -1.74 0.00 0.00 68.15 67.90 2pd6 h THR 135 CO 0.12 0.09 -0.11 -0.61 0.37 0.00 0.00 175.52 175.38 2pd6 h GLN 136 N 0.51 0.35 -0.51 6.66 4.15 -1.00 -1.53 115.11 123.75 2pd6 h GLN 136 Ca 0.38 -0.17 -0.09 0.00 0.77 0.00 0.00 58.65 59.54 2pd6 h GLN 136 Cb 0.49 -0.00 -0.02 0.00 0.21 0.00 0.00 27.48 28.16 2pd6 h GLN 136 CO -0.33 0.70 -0.02 0.00 -1.93 0.00 0.00 178.83 177.25 2pd6 h ALA 137 N 0.64 0.69 -0.17 3.38 0.00 -0.94 -0.28 119.26 122.58 2pd6 h ALA 137 Ca 0.03 -0.30 -0.01 0.00 0.00 0.00 0.00 54.91 54.63 2pd6 h ALA 137 Cb 0.62 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 18.21 2pd6 h ALA 137 CO 0.03 0.52 0.07 0.00 0.00 0.00 0.00 179.25 179.87 2pd6 h ALA 138 N 0.93 0.22 -0.56 0.00 0.00 -0.91 -2.62 119.26 116.31 2pd6 h ALA 138 Ca 0.14 -0.10 -0.00 0.00 0.00 0.00 0.00 54.91 54.95 2pd6 h ALA 138 Cb 0.55 -0.07 -0.03 0.00 0.00 0.00 0.00 17.79 18.25 2pd6 h ALA 138 CO 0.03 -0.20 0.35 0.00 0.00 0.00 0.00 179.25 179.43 2pd6 h ALA 139 N 0.92 0.72 -0.61 0.00 0.00 -1.11 -1.20 119.26 117.98 2pd6 h ALA 139 Ca 0.06 -0.06 0.07 0.00 0.00 0.00 0.00 54.91 54.98 2pd6 h ALA 139 Cb 0.15 -0.23 -0.06 0.00 0.00 0.00 0.00 17.79 17.66 2pd6 h ALA 139 CO -0.01 0.19 0.29 1.96 0.00 0.00 0.00 179.25 181.68 2pd6 h GLN 140 N 0.76 0.52 -0.19 0.00 4.20 -0.98 0.92 115.11 120.35 2pd6 h GLN 140 Ca 0.20 -0.03 -0.05 0.00 0.06 0.00 0.00 58.65 58.83 2pd6 h GLN 140 Cb -0.04 -0.12 -0.01 0.00 0.30 0.00 0.00 27.48 27.62 2pd6 h GLN 140 CO -0.04 0.34 -0.07 0.00 -0.67 0.00 0.00 178.83 178.40 2pd6 h ALA 141 N 1.36 0.26 0.01 3.87 0.00 -1.10 -1.44 119.26 122.21 2pd6 h ALA 141 Ca 0.28 -0.27 0.01 0.00 0.00 0.00 0.00 54.91 54.94 2pd6 h ALA 141 Cb 0.25 -0.06 -0.02 0.00 0.00 0.00 0.00 17.79 17.96 2pd6 h ALA 141 CO -0.22 0.06 -0.08 -0.07 0.00 0.00 0.00 179.25 178.94 2pd6 h LEU 142 N 0.08 -0.23 -0.57 0.00 3.38 -1.02 -2.43 115.31 114.51 2pd6 h LEU 142 Ca 0.04 0.03 -0.09 0.00 0.09 0.00 0.00 57.88 57.96 2pd6 h LEU 142 Cb 0.53 0.10 -0.02 0.00 0.09 0.00 0.00 40.66 41.36 2pd6 h LEU 142 CO 0.02 -0.12 0.03 0.58 0.09 0.00 0.00 178.44 179.04 2pd6 h VAL 143 N -0.15 1.26 0.00 1.22 2.07 -0.76 -0.96 116.25 118.93 2pd6 h VAL 143 Ca 0.03 -1.09 -0.05 0.00 0.82 0.00 0.00 66.70 66.41 2pd6 h VAL 143 Cb 0.18 0.83 -0.01 0.00 -1.52 0.00 0.00 31.29 30.78 2pd6 h VAL 143 CO -0.08 0.39 -0.25 0.77 0.02 0.00 0.00 177.57 178.43 2pd6 h SER 144 N 0.89 0.00 0.16 0.57 4.64 -1.27 -2.59 113.55 115.94 2pd6 h SER 144 Ca 0.17 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.49 2pd6 h SER 144 Cb 0.51 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.60 2pd6 h SER 144 CO 0.02 0.25 -0.21 0.59 -0.87 0.00 0.00 176.83 176.61 2pd6 n ASN 145 N -3.91 1.25 -2.18 4.97 3.02 -0.92 -4.96 115.26 112.53 2pd6 n ASN 145 Ca -0.02 -1.10 -0.15 0.00 -0.03 0.00 0.00 54.58 53.29 2pd6 n ASN 145 Cb 0.33 0.12 0.03 0.00 -0.61 0.00 0.00 39.78 39.65 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 1.31 -0.10 3.55 7.41 0.00 -0.70 -5.02 105.19 111.64 2pd6 n GLY 146 Ca 0.14 -0.15 -0.32 0.00 0.00 0.00 0.00 46.02 45.68 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 -1.39 3.18 0.25 0.00 1.70 -1.26 -4.44 118.95 117.00 2pd6 s ARG 148 Ca 0.16 -0.11 -0.22 0.00 -0.47 0.00 0.00 55.73 55.10 2pd6 s ARG 148 Cb -0.11 -2.41 0.03 0.00 -0.57 0.00 0.00 34.95 31.89 2pd6 s ARG 148 CO 0.06 -0.37 0.79 0.20 -1.08 0.00 0.00 175.30 174.90 2pd6 s GLY 149 N -4.20 -0.09 -0.06 3.88 0.00 -1.00 -4.76 107.32 101.08 2pd6 s GLY 149 Ca 0.49 -0.24 -0.02 0.00 0.00 0.00 0.00 44.72 44.96 2pd6 s GLY 149 CO 0.42 -0.04 0.03 -0.45 0.00 0.00 0.00 173.10 173.06 2pd6 s SER 150 N -2.94 1.42 -0.17 1.64 0.15 -0.42 -1.78 113.70 111.60 2pd6 s SER 150 Ca 0.12 -0.03 -0.05 0.00 0.70 0.00 0.00 55.95 56.69 2pd6 s SER 150 Cb -0.05 -0.31 -0.03 0.00 -1.71 0.00 0.00 66.02 63.93 2pd6 s SER 150 CO 0.06 -0.22 -0.01 -0.63 1.20 0.00 0.00 173.24 173.64 2pd6 s ILE 151 N 2.06 4.01 -0.15 6.45 1.01 0.13 -1.87 121.20 132.84 2pd6 s ILE 151 Ca 0.05 -0.31 -0.00 0.00 0.00 0.00 0.00 60.65 60.39 2pd6 s ILE 151 Cb -0.12 -2.78 0.04 0.00 0.01 0.00 0.00 42.46 39.60 2pd6 s ILE 151 CO -0.04 0.47 -0.07 -0.63 0.00 0.00 0.00 174.94 174.66 2pd6 s ILE 152 N 0.57 1.16 -0.16 2.92 1.01 0.73 -1.86 121.20 125.56 2pd6 s ILE 152 Ca -0.01 -0.55 -0.03 0.00 0.00 0.00 0.00 60.65 60.05 2pd6 s ILE 152 Cb -0.14 -1.26 -0.02 0.00 0.01 0.00 0.00 42.46 41.05 2pd6 s ILE 152 CO 0.02 0.23 -0.06 0.20 0.00 0.00 0.00 174.94 175.33 2pd6 s ASN 153 N 1.63 4.52 -0.37 3.58 0.01 -0.34 -1.57 114.94 122.40 2pd6 s ASN 153 Ca 0.02 -0.22 -0.23 0.00 -0.71 0.00 0.00 52.86 51.72 2pd6 s ASN 153 Cb -0.14 -1.73 0.01 0.00 0.41 0.00 0.00 41.25 39.79 2pd6 s ASN 153 CO -0.08 0.13 0.77 -0.63 -1.51 0.00 0.00 177.10 175.78 2pd6 s ILE 154 N 0.56 4.74 0.00 0.60 -1.09 -0.74 -0.83 121.20 124.45 2pd6 s ILE 154 Ca -0.04 0.82 0.00 0.00 -2.23 0.00 0.00 60.65 59.20 2pd6 s ILE 154 Cb -0.15 -4.21 0.00 0.00 -1.58 0.00 0.00 42.46 36.53 2pd6 s ILE 154 CO 0.03 -0.45 0.00 -0.24 -1.23 0.00 0.00 174.94 173.05 2pd6 n SER 155 N 6.41 0.00 -3.64 3.58 2.88 0.84 -4.91 113.62 118.79 2pd6 n SER 155 Ca 0.03 0.00 -0.03 0.00 -1.33 0.00 0.00 58.87 57.54 2pd6 n SER 155 Cb 0.48 0.00 -0.05 0.00 -0.75 0.00 0.00 64.21 63.89 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 -0.95 -0.07 0.60 -3.46 0.15 -1.25 -4.58 113.70 104.13 2pd6 s SER 156 Ca 0.00 0.09 0.31 0.00 0.70 0.00 0.00 55.95 57.05 2pd6 s SER 156 Cb 0.00 0.08 1.81 0.00 -1.71 0.00 0.00 66.02 66.20 2pd6 s SER 156 CO 0.00 -0.05 2.20 -0.29 1.20 0.00 0.00 173.24 176.29 2pd6 h ILE 157 N 2.36 0.43 -0.05 6.45 6.09 -1.58 -0.90 117.51 130.32 2pd6 h ILE 157 Ca -0.14 0.00 -0.05 0.00 -1.37 0.00 0.00 64.86 63.30 2pd6 h ILE 157 Cb 1.19 0.92 -0.01 0.00 0.47 0.00 0.00 36.82 39.39 2pd6 h ILE 157 CO 0.21 0.00 -0.21 0.58 -3.07 0.00 0.00 178.15 175.66 2pd6 h VAL 158 N 0.00 1.18 0.00 2.19 2.07 -1.86 -1.26 116.25 118.57 2pd6 h VAL 158 Ca 0.03 -0.84 0.00 0.00 0.82 0.00 0.00 66.70 66.71 2pd6 h VAL 158 Cb 0.22 1.39 0.00 0.00 -1.52 0.00 0.00 31.29 31.37 2pd6 h VAL 158 CO -0.00 0.25 0.00 0.61 0.02 0.00 0.00 177.57 178.45 2pd6 n GLY 159 N -0.83 -0.73 0.09 2.17 0.00 -0.34 0.14 105.19 105.69 2pd6 n GLY 159 Ca -0.02 0.12 -0.11 0.00 0.00 0.00 0.00 46.02 46.01 2pd6 n GLY 159 CO 0.00 0.00 0.00 0.58 0.00 0.00 0.00 173.32 173.90 2pd6 n LYS 160 N -1.96 0.84 0.00 1.61 2.85 -0.50 -3.92 118.16 117.07 2pd6 n LYS 160 Ca -0.01 0.07 0.00 0.00 -1.05 0.00 0.00 58.31 57.32 2pd6 n LYS 160 Cb 0.02 -1.39 0.00 0.00 -0.65 0.00 0.00 35.03 33.01 2pd6 n LYS 160 CO 0.00 0.00 0.00 1.33 -0.05 0.00 0.00 177.40 178.68 2pd6 n VAL 161 N -2.90 0.00 -0.57 0.58 0.24 -1.04 -5.14 118.33 109.50 2pd6 n VAL 161 Ca -0.31 -0.49 0.08 0.00 -2.04 0.00 0.00 64.34 61.58 2pd6 n VAL 161 Cb 0.91 1.01 -0.02 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 0.76 -1.77 3.61 7.63 0.00 0.38 -5.03 105.19 110.76 2pd6 n GLY 162 Ca 0.00 -1.37 -0.02 0.00 0.00 0.00 0.00 46.02 44.63 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 -4.69 -0.53 0.18 1.61 2.47 -1.26 -4.77 114.94 107.95 2pd6 s ASN 163 Ca 0.00 0.82 -0.33 0.00 0.42 0.00 0.00 52.86 53.77 2pd6 s ASN 163 Cb 0.00 1.29 -0.14 0.00 -1.45 0.00 0.00 41.25 40.95 2pd6 s ASN 163 CO 0.00 -0.13 1.45 0.52 -3.72 0.00 0.00 177.10 175.22 2pd6 n VAL 164 N 3.93 0.40 -0.73 -5.21 0.31 -1.26 -1.54 118.33 114.23 2pd6 n VAL 164 Ca -0.17 -0.10 0.00 0.00 -0.01 0.00 0.00 64.34 64.06 2pd6 n VAL 164 Cb 0.57 -1.36 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 2.74 0.82 2.09 2.92 0.00 -1.26 -4.94 105.19 107.56 2pd6 n GLY 165 Ca 0.15 0.00 -0.05 0.00 0.00 0.00 0.00 46.02 46.12 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 -2.14 1.87 -0.35 1.61 6.02 -0.59 -1.34 117.38 122.47 2pd6 n GLN 166 Ca 0.00 -3.36 0.07 0.00 -0.01 0.00 0.00 57.00 53.70 2pd6 n GLN 166 Cb 0.00 -1.47 0.23 0.00 1.02 0.00 0.00 30.24 30.02 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 4.41 0.89 -0.21 5.09 2.02 -1.80 0.23 112.91 123.53 2pd6 h THR 167 Ca -0.01 -0.32 -0.07 0.00 0.77 0.00 0.00 66.41 66.79 2pd6 h THR 167 Cb 1.43 -0.12 -0.00 0.00 -1.74 0.00 0.00 68.15 67.71 2pd6 h THR 167 CO 0.30 0.17 -0.13 -0.55 0.37 0.00 0.00 175.52 175.67 2pd6 h ASN 168 N 0.93 0.49 -0.13 4.18 7.08 -1.90 -2.09 115.58 124.14 2pd6 h ASN 168 Ca 0.49 -0.43 -0.02 0.00 -3.08 0.00 0.00 56.30 53.26 2pd6 h ASN 168 Cb 0.51 -0.14 -0.00 0.00 -2.08 0.00 0.00 38.32 36.61 2pd6 h ASN 168 CO -0.28 0.81 0.01 0.22 -2.08 0.00 0.00 177.43 176.12 2pd6 h TYR 169 N 0.17 0.24 -0.39 4.14 3.20 -1.76 -0.78 116.97 121.78 2pd6 h TYR 169 Ca 0.04 -0.04 0.02 0.00 3.14 0.00 0.00 58.73 61.90 2pd6 h TYR 169 Cb 0.64 -0.06 -0.03 0.00 1.54 0.00 0.00 36.73 38.82 2pd6 h TYR 169 CO 0.07 0.43 0.22 0.00 -1.64 0.00 0.00 178.16 177.24 2pd6 h ALA 170 N 0.77 0.49 -0.13 1.82 0.00 -0.60 0.12 119.26 121.73 2pd6 h ALA 170 Ca 0.04 -0.00 0.01 0.00 0.00 0.00 0.00 54.91 54.96 2pd6 h ALA 170 Cb 0.33 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.02 2pd6 h ALA 170 CO 0.00 -0.12 0.05 0.00 0.00 0.00 0.00 179.25 179.18 2pd6 h ALA 171 N 1.18 0.15 -0.97 0.00 0.00 -1.31 0.15 119.26 118.45 2pd6 h ALA 171 Ca 0.16 0.01 0.03 0.00 0.00 0.00 0.00 54.91 55.11 2pd6 h ALA 171 Cb 0.03 -0.01 -0.05 0.00 0.00 0.00 0.00 17.79 17.76 2pd6 h ALA 171 CO -0.09 -0.39 0.64 0.66 0.00 0.00 0.00 179.25 180.07 2pd6 h SER 172 N 0.12 1.08 0.47 0.00 4.64 -0.58 -0.16 113.55 119.12 2pd6 h SER 172 Ca 0.05 -0.02 -0.24 0.00 -0.47 0.00 0.00 61.79 61.11 2pd6 h SER 172 Cb 0.02 -0.26 0.00 0.00 -0.31 0.00 0.00 62.40 61.86 2pd6 h SER 172 CO -0.05 0.76 -1.06 0.11 -0.87 0.00 0.00 176.83 175.71 2pd6 h LYS 173 N 1.26 0.34 -0.41 4.77 1.79 -0.55 -1.94 116.57 121.83 2pd6 h LYS 173 Ca 0.38 -0.44 -0.04 0.00 -2.18 0.00 0.00 60.65 58.36 2pd6 h LYS 173 Cb -0.05 0.14 -0.02 0.00 -1.58 0.00 0.00 32.23 30.73 2pd6 h LYS 173 CO -0.10 1.14 0.10 0.00 -1.08 0.00 0.00 179.45 179.51 2pd6 h ALA 174 N 0.69 0.54 -0.53 3.86 0.00 -0.83 -2.93 119.26 120.06 2pd6 h ALA 174 Ca -0.10 -0.19 0.11 0.00 0.00 0.00 0.00 54.91 54.73 2pd6 h ALA 174 Cb 1.74 -0.16 -0.10 0.00 0.00 0.00 0.00 17.79 19.27 2pd6 h ALA 174 CO 0.18 0.21 -0.08 0.78 0.00 0.00 0.00 179.25 180.34 2pd6 h GLY 175 N 0.52 0.45 0.40 0.00 0.00 -0.94 -1.86 103.07 101.64 2pd6 h GLY 175 Ca 0.13 0.13 0.13 0.00 0.00 0.00 0.00 47.33 47.72 2pd6 h GLY 175 CO 0.00 -0.19 0.58 -2.08 0.00 0.00 0.00 176.54 174.85 2pd6 h VAL 176 N 0.04 0.86 -0.17 4.60 2.07 -1.17 0.46 116.25 122.94 2pd6 h VAL 176 Ca 0.26 -0.30 -0.02 0.00 0.82 0.00 0.00 66.70 67.46 2pd6 h VAL 176 Cb 0.41 -0.10 -0.01 0.00 -1.52 0.00 0.00 31.29 30.07 2pd6 h VAL 176 CO -0.51 0.16 0.02 0.40 0.02 0.00 0.00 177.57 177.66 2pd6 h ILE 177 N 0.88 1.24 -0.37 4.57 2.04 -1.22 0.16 117.51 124.81 2pd6 h ILE 177 Ca 0.49 -0.78 0.01 0.00 1.00 0.00 0.00 64.86 65.57 2pd6 h ILE 177 Cb 0.54 1.41 -0.02 0.00 -0.74 0.00 0.00 36.82 38.02 2pd6 h ILE 177 CO -0.29 0.24 0.24 1.23 0.00 0.00 0.00 178.15 179.56 2pd6 h GLY 178 N 0.07 0.52 0.71 5.37 0.00 -0.98 -1.45 103.07 107.30 2pd6 h GLY 178 Ca 0.05 -0.19 0.05 0.00 0.00 0.00 0.00 47.33 47.24 2pd6 h GLY 178 CO 0.01 0.18 0.24 -2.00 0.00 0.00 0.00 176.54 174.96 2pd6 h LEU 179 N 0.49 0.33 -0.40 3.11 6.46 -0.83 -2.32 115.31 122.15 2pd6 h LEU 179 Ca 0.14 0.03 -0.11 0.00 -0.12 0.00 0.00 57.88 57.82 2pd6 h LEU 179 Cb -0.05 -0.03 -0.01 0.00 -0.73 0.00 0.00 40.66 39.85 2pd6 h LEU 179 CO -0.04 0.23 -0.17 0.74 -0.62 0.00 0.00 178.44 178.58 2pd6 h THR 180 N 0.47 1.28 -0.42 1.05 2.02 -0.77 0.22 112.91 116.75 2pd6 h THR 180 Ca 0.22 -1.30 0.04 0.00 0.77 0.00 0.00 66.41 66.13 2pd6 h THR 180 Cb 0.14 1.27 -0.04 0.00 -1.74 0.00 0.00 68.15 67.78 2pd6 h THR 180 CO -0.16 0.44 0.20 1.56 0.37 0.00 0.00 175.52 177.92 2pd6 h GLN 181 N 0.64 0.39 -0.21 6.66 4.20 -1.16 -1.06 115.11 124.58 2pd6 h GLN 181 Ca 0.09 -0.02 -0.03 0.00 0.06 0.00 0.00 58.65 58.75 2pd6 h GLN 181 Cb 0.72 -0.09 -0.01 0.00 0.30 0.00 0.00 27.48 28.41 2pd6 h GLN 181 CO 0.05 0.26 0.00 1.15 -0.67 0.00 0.00 178.83 179.63 2pd6 h THR 182 N 0.40 1.25 -0.74 -0.54 2.02 -1.16 -2.61 112.91 111.54 2pd6 h THR 182 Ca 0.19 -0.87 0.11 0.00 0.77 0.00 0.00 66.41 66.60 2pd6 h THR 182 Cb 0.11 1.42 -0.08 0.00 -1.74 0.00 0.00 68.15 67.86 2pd6 h THR 182 CO -0.14 0.27 0.37 0.00 0.37 0.00 0.00 175.52 176.39 2pd6 h ALA 183 N 0.79 1.05 -0.79 6.16 0.00 -0.41 -1.13 119.26 124.94 2pd6 h ALA 183 Ca 0.06 0.06 0.01 0.00 0.00 0.00 0.00 54.91 55.04 2pd6 h ALA 183 Cb 0.39 -0.04 -0.04 0.00 0.00 0.00 0.00 17.79 18.11 2pd6 h ALA 183 CO 0.01 -0.06 0.52 0.00 0.00 0.00 0.00 179.25 179.73 2pd6 h ALA 184 N 1.46 1.00 -0.55 0.00 0.00 -1.11 -0.96 119.26 119.10 2pd6 h ALA 184 Ca 0.38 -0.05 -0.05 0.00 0.00 0.00 0.00 54.91 55.19 2pd6 h ALA 184 Cb 0.43 -0.32 -0.03 0.00 0.00 0.00 0.00 17.79 17.88 2pd6 h ALA 184 CO -0.29 0.41 0.16 0.07 0.00 0.00 0.00 179.25 179.59 2pd6 h ARG 185 N 1.07 0.83 0.00 0.00 -0.00 -0.84 -1.75 114.38 113.68 2pd6 h ARG 185 Ca 0.29 -0.16 -0.20 0.00 -0.00 0.00 0.00 59.98 59.91 2pd6 h ARG 185 Cb -0.12 -0.13 -0.03 0.00 -0.00 0.00 0.00 29.97 29.69 2pd6 h ARG 185 CO -0.06 0.73 -0.98 0.93 -0.00 0.00 0.00 179.97 180.59 2pd6 h GLU 186 N 0.80 0.00 0.00 0.08 5.08 -0.96 -3.38 114.58 116.20 2pd6 h GLU 186 Ca 0.18 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.54 2pd6 h GLU 186 Cb 0.26 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.51 2pd6 h GLU 186 CO -0.01 0.90 -1.02 1.28 -1.00 0.00 0.00 179.01 179.16 2pd6 n LEU 187 N -3.31 0.57 -0.22 1.33 4.77 -0.40 -4.41 117.00 115.33 2pd6 n LEU 187 Ca -0.01 -0.37 0.01 0.00 -0.03 0.00 0.00 56.01 55.61 2pd6 n LEU 187 Cb 0.92 0.00 0.13 0.00 -2.33 0.00 0.00 43.42 42.13 2pd6 n LEU 187 CO 0.46 0.14 0.99 1.23 -1.33 0.00 0.00 177.39 178.88 2pd6 h GLY 188 N 3.64 0.92 1.88 -0.72 0.00 -1.28 0.14 103.07 107.65 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 -0.04 0.06 0.07 0.00 0.00 0.00 176.54 176.63 2pd6 h ARG 189 N 0.41 0.00 -0.66 4.80 0.11 -1.84 0.10 114.38 117.30 2pd6 h ARG 189 Ca 0.33 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.41 2pd6 h ARG 189 Cb 0.44 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.52 2pd6 h ARG 189 CO -0.34 0.00 0.00 0.72 0.10 0.00 0.00 179.97 180.45 2pd6 n HIS 190 N -2.93 1.01 -1.76 4.08 8.25 0.00 -4.95 115.22 118.92 2pd6 n HIS 190 Ca -0.03 -0.53 -0.04 0.00 -0.26 0.00 0.00 57.72 56.87 2pd6 n HIS 190 Cb 0.12 -0.06 -0.01 0.00 1.12 0.00 0.00 29.99 31.17 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 1.35 0.36 3.13 -1.41 0.00 0.36 -4.66 105.19 104.32 2pd6 n GLY 191 Ca 0.23 -0.79 -0.31 0.00 0.00 0.00 0.00 46.02 45.14 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 -2.16 1.90 0.09 -0.61 1.01 -0.98 -2.39 121.20 118.05 2pd6 s ILE 192 Ca 0.00 -0.87 -0.01 0.00 0.00 0.00 0.00 60.65 59.77 2pd6 s ILE 192 Cb 0.00 -1.70 -0.04 0.00 0.01 0.00 0.00 42.46 40.73 2pd6 s ILE 192 CO 0.00 0.52 0.25 -0.13 0.00 0.00 0.00 174.94 175.58 2pd6 s ARG 193 N 0.97 3.48 -0.09 2.79 0.52 -0.73 -3.19 118.95 122.70 2pd6 s ARG 193 Ca -0.04 -0.37 -0.04 0.00 -0.52 0.00 0.00 55.73 54.76 2pd6 s ARG 193 Cb -0.15 -2.99 0.05 0.00 0.52 0.00 0.00 34.95 32.38 2pd6 s ARG 193 CO -0.04 0.57 0.17 0.00 0.02 0.00 0.00 175.30 176.02 2pd6 s ASN 195 N 2.21 0.31 -0.02 0.00 0.01 -0.78 -0.23 114.94 116.44 2pd6 s ASN 195 Ca 0.02 -0.75 0.03 0.00 -0.71 0.00 0.00 52.86 51.45 2pd6 s ASN 195 Cb -0.12 0.23 -0.03 0.00 0.41 0.00 0.00 41.25 41.74 2pd6 s ASN 195 CO -0.06 -0.57 -0.11 -0.44 -1.51 0.00 0.00 177.10 174.41 2pd6 s SER 196 N -2.55 4.33 -0.15 -1.22 0.01 -0.37 -1.19 113.70 112.56 2pd6 s SER 196 Ca 0.01 -0.17 -0.04 0.00 1.31 0.00 0.00 55.95 57.06 2pd6 s SER 196 Cb 0.03 -0.96 -0.03 0.00 0.21 0.00 0.00 66.02 65.27 2pd6 s SER 196 CO -0.08 0.32 -0.02 -0.69 0.41 0.00 0.00 173.24 173.18 2pd6 s VAL 197 N -0.86 4.09 -0.66 3.43 1.01 -0.01 -1.39 120.40 126.02 2pd6 s VAL 197 Ca 0.14 -0.29 -0.01 0.00 0.00 0.00 0.00 61.98 61.81 2pd6 s VAL 197 Cb -0.11 -2.79 0.17 0.00 0.00 0.00 0.00 36.38 33.65 2pd6 s VAL 197 CO 0.04 0.51 0.47 -0.76 0.00 0.00 0.00 175.10 175.35 2pd6 s LEU 198 N 0.15 5.12 0.67 3.92 1.02 0.78 -0.11 118.68 130.23 2pd6 s LEU 198 Ca -0.00 -3.08 -0.13 0.00 0.02 0.00 0.00 54.13 50.94 2pd6 s LEU 198 Cb -0.13 -1.82 -0.00 0.00 0.02 0.00 0.00 46.19 44.26 2pd6 s LEU 198 CO 0.02 -0.30 1.07 -2.84 0.02 0.00 0.00 176.35 174.32 2pd6 s PRO 199 N -0.40 2.96 0.00 1.29 0.02 -1.26 -1.63 135.00 135.99 2pd6 s PRO 199 Ca 0.19 1.09 0.00 0.00 0.02 0.00 0.00 61.00 62.30 2pd6 s PRO 199 Cb -0.18 -1.99 0.00 0.00 0.02 0.00 0.00 34.50 32.35 2pd6 s PRO 199 CO -0.05 -1.09 0.00 0.41 -0.33 0.00 0.00 177.00 175.94 2pd6 n GLY 200 N -1.48 0.58 3.54 0.52 0.00 -0.64 -1.98 105.19 105.73 2pd6 n GLY 200 Ca 0.08 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.69 2pd6 n GLY 200 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 2pd6 s PHE 201 N 2.76 3.18 -0.07 1.61 5.36 -1.26 -4.88 117.98 124.68 2pd6 s PHE 201 Ca 0.00 -0.02 0.05 0.00 -0.96 0.00 0.00 56.93 56.00 2pd6 s PHE 201 Cb 0.00 -2.85 -0.01 0.00 -0.34 0.00 0.00 43.02 39.82 2pd6 s PHE 201 CO 0.00 -0.55 -0.21 0.42 -1.46 0.00 0.00 175.22 173.42 2pd6 s ILE 202 N 2.23 2.37 -0.55 3.12 -1.09 -1.26 -1.08 121.20 124.93 2pd6 s ILE 202 Ca 0.15 -0.94 -0.28 0.00 -2.23 0.00 0.00 60.65 57.34 2pd6 s ILE 202 Cb -0.16 -1.90 0.03 0.00 -1.58 0.00 0.00 42.46 38.85 2pd6 s ILE 202 CO 0.13 0.56 1.23 0.00 -1.23 0.00 0.00 174.94 175.63 2pd6 s ALA 203 N -0.11 3.01 0.29 9.38 0.00 -0.24 -4.71 121.76 129.39 2pd6 s ALA 203 Ca -0.04 -0.69 -0.02 0.00 0.00 0.00 0.00 51.96 51.21 2pd6 s ALA 203 Cb -0.14 -4.01 -0.01 0.00 0.00 0.00 0.00 23.12 18.95 2pd6 s ALA 203 CO 0.04 -2.60 0.36 0.95 0.00 0.00 0.00 175.76 174.52 2pd6 s THR 204 N 5.03 0.00 0.53 0.00 -4.23 -1.26 -4.42 115.64 111.29 2pd6 s THR 204 Ca 0.46 -1.73 0.20 0.00 -1.18 0.00 0.00 61.69 59.45 2pd6 s THR 204 Cb -0.08 -2.51 0.32 0.00 1.34 0.00 0.00 72.50 71.57 2pd6 s THR 204 CO 0.27 0.00 2.09 -0.65 -0.54 0.00 0.00 174.62 175.79 2pd6 h PRO 205 N 2.25 0.00 -0.30 3.99 0.11 -1.98 -2.16 132.00 133.90 2pd6 h PRO 205 Ca -0.29 0.00 -0.01 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 32.34 2pd6 h PRO 205 CO 0.41 0.00 0.15 1.98 -0.21 0.00 0.00 178.00 180.32 2pd6 h MET 206 N 0.00 0.41 -0.73 1.05 4.05 -1.96 -2.89 114.93 114.86 2pd6 h MET 206 Ca 0.10 -0.04 0.00 0.00 -0.28 0.00 0.00 59.70 59.49 2pd6 h MET 206 Cb 0.42 -0.09 0.00 0.00 -0.80 0.00 0.00 31.60 31.14 2pd6 h MET 206 CO -0.00 0.32 0.00 0.25 0.23 0.00 0.00 176.91 177.71 2pd6 n THR 207 N -4.44 1.03 0.19 -0.77 -2.24 -0.83 -4.40 114.28 102.82 2pd6 n THR 207 Ca 0.01 -0.99 0.03 0.00 -2.27 0.00 0.00 64.05 60.84 2pd6 n THR 207 Cb 0.11 0.47 0.39 0.00 -2.10 0.00 0.00 70.33 69.19 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 4.26 0.01 0.00 -0.78 1.08 -1.33 -2.78 115.11 115.57 2pd6 h GLN 208 Ca 0.00 -0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.20 2pd6 h GLN 208 Cb 1.00 -0.00 0.00 0.00 -0.05 0.00 0.00 27.48 28.43 2pd6 h GLN 208 CO 0.01 0.33 0.00 0.87 -0.95 0.00 0.00 178.83 179.10 2pd6 h LYS 209 N 0.01 0.00 -6.39 1.46 1.79 -1.80 -3.44 116.57 108.20 2pd6 h LYS 209 Ca -0.00 0.00 -0.54 0.00 -2.18 0.00 0.00 60.65 57.93 2pd6 h LYS 209 Cb 0.58 0.00 -0.01 0.00 -1.58 0.00 0.00 32.23 31.22 2pd6 h LYS 209 CO 0.04 0.00 0.72 0.08 -1.08 0.00 0.00 179.45 179.21 2pd6 s VAL 210 N -3.45 3.94 0.43 0.50 1.01 -1.05 -4.94 120.40 116.84 2pd6 s VAL 210 Ca 0.03 1.33 -0.24 0.00 0.00 0.00 0.00 61.98 63.10 2pd6 s VAL 210 Cb 0.09 -3.85 -0.10 0.00 0.00 0.00 0.00 36.38 32.52 2pd6 s VAL 210 CO 0.45 0.03 1.08 -2.65 0.00 0.00 0.00 175.10 174.01 2pd6 n PRO 211 N 4.91 1.47 -0.16 2.72 -0.02 -1.26 -4.85 135.00 137.81 2pd6 n PRO 211 Ca 0.11 0.53 0.03 0.00 -2.02 0.00 0.00 63.50 62.16 2pd6 n PRO 211 Cb 0.45 -2.14 0.32 0.00 -0.02 0.00 0.00 33.50 32.11 2pd6 n PRO 211 CO 0.00 0.00 0.00 0.37 1.98 0.00 0.00 175.50 177.85 2pd6 h GLN 212 N 1.62 0.80 0.00 -0.52 5.75 -1.94 -1.93 115.11 118.90 2pd6 h GLN 212 Ca -0.45 -0.05 -0.03 0.00 -0.15 0.00 0.00 58.65 57.97 2pd6 h GLN 212 Cb 1.33 -0.18 -0.00 0.00 1.07 0.00 0.00 27.48 29.69 2pd6 h GLN 212 CO 0.57 0.53 -0.13 1.57 -2.65 0.00 0.00 178.83 178.72 2pd6 h LYS 213 N 0.83 0.00 0.12 1.69 2.10 -2.00 -0.78 116.57 118.53 2pd6 h LYS 213 Ca 0.26 0.00 -0.29 0.00 -2.00 0.00 0.00 60.65 58.63 2pd6 h LYS 213 Cb 0.04 0.00 0.03 0.00 -0.90 0.00 0.00 32.23 31.40 2pd6 h LYS 213 CO -0.07 0.13 -1.20 0.28 -2.00 0.00 0.00 179.45 176.59 2pd6 h VAL 214 N 0.00 1.30 -0.54 0.07 2.07 -1.74 -3.24 116.25 114.17 2pd6 h VAL 214 Ca -0.00 -2.45 -0.04 0.00 0.82 0.00 0.00 66.70 65.03 2pd6 h VAL 214 Cb 0.23 2.74 -0.03 0.00 -1.52 0.00 0.00 31.29 32.72 2pd6 h VAL 214 CO 0.02 0.74 0.18 0.58 0.02 0.00 0.00 177.57 179.11 2pd6 h VAL 215 N 0.21 1.21 -0.55 2.57 2.07 -1.01 -1.06 116.25 119.69 2pd6 h VAL 215 Ca -0.18 -0.69 -0.00 0.00 0.82 0.00 0.00 66.70 66.64 2pd6 h VAL 215 Cb 1.88 0.60 -0.03 0.00 -1.52 0.00 0.00 31.29 32.22 2pd6 h VAL 215 CO 0.23 0.27 0.34 0.44 0.02 0.00 0.00 177.57 178.87 2pd6 h ASP 216 N 0.78 0.66 0.40 0.57 3.32 -1.24 -0.60 116.42 120.31 2pd6 h ASP 216 Ca 0.18 -0.05 -0.02 0.00 0.02 0.00 0.00 57.03 57.17 2pd6 h ASP 216 Cb 0.21 -0.17 0.00 0.00 0.22 0.00 0.00 39.33 39.59 2pd6 h ASP 216 CO -0.01 0.51 -0.20 0.11 -1.72 0.00 0.00 179.24 177.93 2pd6 h LYS 217 N 0.74 -0.53 -0.57 3.56 6.56 -1.46 -2.84 116.57 122.02 2pd6 h LYS 217 Ca 0.20 0.04 0.10 0.00 -1.06 0.00 0.00 60.65 59.92 2pd6 h LYS 217 Cb -0.03 0.12 -0.08 0.00 -0.57 0.00 0.00 32.23 31.67 2pd6 h LYS 217 CO -0.04 -0.35 0.16 -0.84 -2.06 0.00 0.00 179.45 176.32 2pd6 h ILE 218 N -0.55 0.71 -0.78 1.86 3.07 -1.09 -2.39 117.51 118.34 2pd6 h ILE 218 Ca -0.05 -0.11 0.05 0.00 1.55 0.00 0.00 64.86 66.30 2pd6 h ILE 218 Cb 0.43 0.38 -0.05 0.00 -0.27 0.00 0.00 36.82 37.31 2pd6 h ILE 218 CO 0.08 0.06 0.51 0.74 -1.05 0.00 0.00 178.15 178.49 2pd6 h THR 219 N 0.31 1.07 0.00 0.16 2.02 -0.94 0.20 112.91 115.73 2pd6 h THR 219 Ca 0.29 -0.30 -0.00 0.00 0.77 0.00 0.00 66.41 67.17 2pd6 h THR 219 Cb 0.40 0.11 -0.00 0.00 -1.74 0.00 0.00 68.15 66.91 2pd6 h THR 219 CO -0.34 0.16 -0.00 -0.33 0.37 0.00 0.00 175.52 175.37 2pd6 h GLU 220 N 0.88 0.00 -0.59 6.66 5.08 -1.20 -1.41 114.58 124.01 2pd6 h GLU 220 Ca 0.33 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.69 2pd6 h GLU 220 Cb 0.17 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.42 2pd6 h GLU 220 CO -0.11 0.00 0.00 -1.33 -1.00 0.00 0.00 179.01 176.58 2pd6 n MET 221 N -3.13 2.97 -3.64 2.33 2.81 0.68 -4.82 117.12 114.32 2pd6 n MET 221 Ca -0.02 -2.53 -0.40 0.00 -1.81 0.00 0.00 57.70 52.94 2pd6 n MET 221 Cb 0.12 -1.55 -0.11 0.00 -0.71 0.00 0.00 33.22 30.96 2pd6 n MET 221 CO 0.00 0.00 0.00 0.42 1.51 0.00 0.00 175.97 177.90 2pd6 s ILE 222 N -1.23 4.37 0.42 2.02 1.01 -0.53 -2.48 121.20 124.77 2pd6 s ILE 222 Ca 0.42 -0.91 0.15 0.00 0.00 0.00 0.00 60.65 60.30 2pd6 s ILE 222 Cb 0.23 -3.44 0.35 0.00 0.01 0.00 0.00 42.46 39.62 2pd6 s ILE 222 CO 0.26 -0.21 1.92 -0.65 0.00 0.00 0.00 174.94 176.26 2pd6 h PRO 223 N 8.38 0.43 0.00 2.79 0.11 -1.75 0.78 132.00 142.74 2pd6 h PRO 223 Ca -0.25 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 65.83 2pd6 h PRO 223 Cb 1.10 -0.10 0.00 0.00 0.11 0.00 0.00 31.00 32.11 2pd6 h PRO 223 CO 0.65 0.29 0.00 0.52 -0.21 0.00 0.00 178.00 179.24 2pd6 h MET 224 N 0.44 0.00 0.00 1.05 2.86 -1.82 -3.47 114.93 114.00 2pd6 h MET 224 Ca 0.37 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 58.01 2pd6 h MET 224 Cb 0.82 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.48 2pd6 h MET 224 CO -0.12 0.00 0.00 0.41 1.06 0.00 0.00 176.91 178.26 2pd6 n GLY 225 N -0.01 0.75 3.37 8.32 0.00 0.27 -5.03 105.19 112.86 2pd6 n GLY 225 Ca 0.01 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 45.94 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 -2.71 0.19 0.59 1.61 -3.43 -1.26 -4.96 115.29 105.32 2pd6 s HIS 226 Ca 0.00 -0.55 -0.16 0.00 -0.80 0.00 0.00 55.06 53.55 2pd6 s HIS 226 Cb 0.00 0.08 -0.04 0.00 -1.43 0.00 0.00 32.58 31.20 2pd6 s HIS 226 CO 0.00 -0.75 1.07 -0.51 -2.00 0.00 0.00 174.74 172.54 2pd6 s LEU 227 N -2.92 3.52 0.66 5.38 1.43 -1.26 -4.96 118.68 120.53 2pd6 s LEU 227 Ca 0.13 1.86 -0.13 0.00 -1.03 0.00 0.00 54.13 54.96 2pd6 s LEU 227 Cb 0.02 -4.54 -0.00 0.00 0.03 0.00 0.00 46.19 41.70 2pd6 s LEU 227 CO -0.03 -1.21 1.07 -0.83 0.23 0.00 0.00 176.35 175.59 2pd6 s GLY 228 N -2.67 1.93 0.12 -3.19 0.00 -0.24 -4.89 107.32 98.38 2pd6 s GLY 228 Ca 0.65 0.32 0.05 0.00 0.00 0.00 0.00 44.72 45.74 2pd6 s GLY 228 CO 0.36 0.65 0.05 0.99 0.00 0.00 0.00 173.10 175.15 2pd6 s ASP 229 N -3.11 5.22 0.45 1.64 1.01 -1.26 -1.07 116.67 119.55 2pd6 s ASP 229 Ca 0.62 -0.16 0.17 0.00 0.71 0.00 0.00 52.55 53.89 2pd6 s ASP 229 Cb -0.17 -1.29 1.12 0.00 1.01 0.00 0.00 42.92 43.59 2pd6 s ASP 229 CO 0.46 0.13 1.96 1.55 0.21 0.00 0.00 175.17 179.48 2pd6 h PRO 230 N 3.01 0.31 -0.54 8.23 0.13 -1.93 0.11 132.00 141.33 2pd6 h PRO 230 Ca -0.47 -0.02 0.13 0.00 -0.87 0.00 0.00 66.00 64.77 2pd6 h PRO 230 Cb 1.18 -0.07 -0.03 0.00 0.13 0.00 0.00 31.00 32.21 2pd6 h PRO 230 CO 0.62 0.21 0.38 0.93 -0.23 0.00 0.00 178.00 179.90 2pd6 h GLU 231 N 0.32 0.15 -0.49 0.86 3.07 -1.93 -0.93 114.58 115.64 2pd6 h GLU 231 Ca 0.31 -0.01 -0.09 0.00 -0.50 0.00 0.00 59.36 59.07 2pd6 h GLU 231 Cb 0.79 -0.03 -0.02 0.00 -0.84 0.00 0.00 28.75 28.64 2pd6 h GLU 231 CO -0.08 0.10 -0.06 -0.44 -1.40 0.00 0.00 179.01 177.13 2pd6 h ASP 232 N 0.16 0.85 0.02 1.42 3.32 -1.16 -1.45 116.42 119.57 2pd6 h ASP 232 Ca 0.26 -0.24 -0.24 0.00 0.02 0.00 0.00 57.03 56.83 2pd6 h ASP 232 Cb 0.81 -0.23 0.01 0.00 0.22 0.00 0.00 39.33 40.14 2pd6 h ASP 232 CO -0.04 0.95 -0.91 0.58 -1.72 0.00 0.00 179.24 178.10 2pd6 h VAL 233 N 0.79 1.30 -0.63 -1.35 2.07 -1.33 -3.22 116.25 113.88 2pd6 h VAL 233 Ca 0.14 -2.17 0.00 0.00 0.82 0.00 0.00 66.70 65.49 2pd6 h VAL 233 Cb 0.56 2.22 -0.03 0.00 -1.52 0.00 0.00 31.29 32.52 2pd6 h VAL 233 CO 0.03 0.67 0.39 0.00 0.02 0.00 0.00 177.57 178.69 2pd6 h ALA 234 N 0.55 1.51 -0.75 1.67 0.00 -1.06 -1.64 119.26 119.55 2pd6 h ALA 234 Ca -0.09 -0.06 0.00 0.00 0.00 0.00 0.00 54.91 54.76 2pd6 h ALA 234 Cb 1.55 -0.25 -0.04 0.00 0.00 0.00 0.00 17.79 19.05 2pd6 h ALA 234 CO 0.18 0.43 0.47 -0.44 0.00 0.00 0.00 179.25 179.90 2pd6 h ASP 235 N 0.85 0.88 -0.30 0.00 3.32 -1.27 -1.26 116.42 118.63 2pd6 h ASP 235 Ca 0.23 -0.04 -0.16 0.00 0.02 0.00 0.00 57.03 57.07 2pd6 h ASP 235 Cb -0.06 -0.22 -0.00 0.00 0.22 0.00 0.00 39.33 39.27 2pd6 h ASP 235 CO -0.05 0.66 -0.45 0.58 -1.72 0.00 0.00 179.24 178.26 2pd6 h VAL 236 N 1.02 1.28 -0.72 -1.35 2.07 -1.49 -2.73 116.25 114.33 2pd6 h VAL 236 Ca 0.27 -1.64 0.03 0.00 0.82 0.00 0.00 66.70 66.19 2pd6 h VAL 236 Cb -0.08 1.59 -0.05 0.00 -1.52 0.00 0.00 31.29 31.23 2pd6 h VAL 236 CO -0.05 0.53 0.45 0.58 0.02 0.00 0.00 177.57 179.10 2pd6 h VAL 237 N 0.62 1.09 -0.79 2.57 2.07 -1.19 -1.46 116.25 119.15 2pd6 h VAL 237 Ca 0.03 -0.30 -0.03 0.00 0.82 0.00 0.00 66.70 67.22 2pd6 h VAL 237 Cb 1.05 0.14 -0.04 0.00 -1.52 0.00 0.00 31.29 30.92 2pd6 h VAL 237 CO 0.10 0.16 0.38 0.00 0.02 0.00 0.00 177.57 178.24 2pd6 h ALA 238 N 1.32 1.18 -0.39 1.67 0.00 -1.15 0.21 119.26 122.09 2pd6 h ALA 238 Ca 0.30 -0.15 -0.01 0.00 0.00 0.00 0.00 54.91 55.04 2pd6 h ALA 238 Cb 0.04 -0.32 -0.02 0.00 0.00 0.00 0.00 17.79 17.50 2pd6 h ALA 238 CO -0.12 0.63 0.21 0.35 0.00 0.00 0.00 179.25 180.32 2pd6 h PHE 239 N 1.13 0.55 0.00 0.00 3.57 -1.16 -2.09 116.94 118.93 2pd6 h PHE 239 Ca 0.27 -0.02 -0.05 0.00 3.53 0.00 0.00 57.97 61.70 2pd6 h PHE 239 Cb 0.11 -0.17 -0.01 0.00 2.79 0.00 0.00 35.95 38.67 2pd6 h PHE 239 CO 0.01 0.43 -0.26 -0.07 -2.23 0.00 0.00 178.31 176.20 2pd6 h LEU 240 N 0.50 0.00 -0.66 0.59 3.38 -0.63 -2.55 115.31 115.94 2pd6 h LEU 240 Ca 0.14 0.00 -0.14 0.00 0.09 0.00 0.00 57.88 57.97 2pd6 h LEU 240 Cb 0.07 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 40.80 2pd6 h LEU 240 CO -0.02 0.26 -0.66 0.00 0.09 0.00 0.00 178.44 178.11 2pd6 h ALA 241 N 1.74 0.89 -2.06 1.53 0.00 -0.39 -3.47 119.26 117.51 2pd6 h ALA 241 Ca -0.00 -0.60 -0.45 0.00 0.00 0.00 0.00 54.91 53.86 2pd6 h ALA 241 Cb 0.75 -0.10 0.06 0.00 0.00 0.00 0.00 17.79 18.50 2pd6 h ALA 241 CO 0.03 0.81 0.08 -1.54 0.00 0.00 0.00 179.25 178.64 2pd6 s SER 242 N -6.85 5.11 0.00 0.00 1.04 -0.81 -4.87 113.70 107.32 2pd6 s SER 242 Ca -0.02 0.22 0.30 0.00 0.48 0.00 0.00 55.95 56.93 2pd6 s SER 242 Cb 0.12 -1.02 1.42 0.00 0.10 0.00 0.00 66.02 66.64 2pd6 s SER 242 CO 0.78 -1.32 1.97 -0.62 0.98 0.00 0.00 173.24 175.02 2pd6 n GLU 243 N -2.59 0.81 0.29 4.02 -0.58 -1.26 -2.66 120.64 118.67 2pd6 n GLU 243 Ca 0.08 -0.21 0.15 0.00 -0.42 0.00 0.00 57.16 56.76 2pd6 n GLU 243 Cb 0.60 -1.50 0.89 0.00 -0.57 0.00 0.00 31.44 30.86 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 0.51 0.00 -0.54 1.62 3.32 -1.94 -1.80 116.42 117.59 2pd6 h ASP 244 Ca 0.00 0.00 -0.16 0.00 0.02 0.00 0.00 57.03 56.89 2pd6 h ASP 244 Cb 0.28 0.00 -0.09 0.00 0.22 0.00 0.00 39.33 39.73 2pd6 h ASP 244 CO 0.00 0.03 0.14 -1.54 -1.72 0.00 0.00 179.24 176.15 2pd6 n SER 245 N -3.71 4.15 0.19 6.45 3.41 -1.09 -4.75 113.62 118.27 2pd6 n SER 245 Ca -0.03 -3.28 0.13 0.00 -0.26 0.00 0.00 58.87 55.44 2pd6 n SER 245 Cb 0.13 -0.67 0.68 0.00 -0.26 0.00 0.00 64.21 64.08 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 2.12 0.00 -1.25 5.00 0.00 -1.49 -0.57 103.07 106.88 2pd6 h GLY 246 Ca 0.19 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.52 2pd6 h GLY 246 CO 0.54 0.00 0.00 2.98 0.00 0.00 0.00 176.54 180.06 2pd6 n TYR 247 N -2.41 0.70 -3.70 5.60 9.36 -1.26 -4.91 117.16 120.53 2pd6 n TYR 247 Ca -0.01 -0.83 -0.39 0.00 3.32 0.00 0.00 57.90 59.99 2pd6 n TYR 247 Cb 0.07 -0.24 -0.12 0.00 -0.63 0.00 0.00 39.34 38.42 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 -2.51 3.98 -0.00 2.97 1.01 -0.22 -5.08 121.20 121.35 2pd6 s ILE 248 Ca 0.36 -1.14 -0.06 0.00 0.00 0.00 0.00 60.65 59.81 2pd6 s ILE 248 Cb 0.29 -3.29 0.00 0.00 0.01 0.00 0.00 42.46 39.47 2pd6 s ILE 248 CO 0.09 -0.25 0.12 0.28 0.00 0.00 0.00 174.94 175.18 2pd6 s THR 249 N 1.43 0.07 -0.15 2.92 -1.32 -1.26 -4.72 115.64 112.61 2pd6 s THR 249 Ca -0.00 -0.61 0.00 0.00 -1.21 0.00 0.00 61.69 59.86 2pd6 s THR 249 Cb -0.20 -0.39 0.00 0.00 -1.51 0.00 0.00 72.50 70.40 2pd6 s THR 249 CO 0.03 -0.34 0.00 0.61 -2.21 0.00 0.00 174.62 172.72 2pd6 n GLY 250 N 1.68 0.47 3.57 6.08 0.00 0.68 -4.96 105.19 112.71 2pd6 n GLY 250 Ca -0.21 -1.00 -0.26 0.00 0.00 0.00 0.00 46.02 44.54 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 -2.06 1.24 -0.08 2.61 -1.32 -1.26 -4.72 115.64 110.05 2pd6 s THR 251 Ca 0.00 -2.00 0.05 0.00 -1.21 0.00 0.00 61.69 58.53 2pd6 s THR 251 Cb 0.00 -2.60 -0.01 0.00 -1.51 0.00 0.00 72.50 68.38 2pd6 s THR 251 CO 0.00 0.00 -0.23 -0.44 -2.21 0.00 0.00 174.62 171.74 2pd6 s SER 252 N -3.65 3.20 -0.17 8.08 0.01 -1.26 -1.24 113.70 118.66 2pd6 s SER 252 Ca 0.26 -0.50 -0.01 0.00 1.31 0.00 0.00 55.95 57.01 2pd6 s SER 252 Cb 0.06 -1.13 -0.00 0.00 0.21 0.00 0.00 66.02 65.15 2pd6 s SER 252 CO 0.13 0.21 -0.12 -0.69 0.41 0.00 0.00 173.24 173.18 2pd6 s VAL 253 N 0.06 2.92 -0.13 3.43 1.01 -0.48 -4.98 120.40 122.22 2pd6 s VAL 253 Ca -0.10 -0.67 -0.17 0.00 0.00 0.00 0.00 61.98 61.04 2pd6 s VAL 253 Cb -0.15 -2.27 -0.04 0.00 0.00 0.00 0.00 36.38 33.91 2pd6 s VAL 253 CO 0.06 0.49 0.43 -1.61 0.00 0.00 0.00 175.10 174.47 2pd6 s GLU 254 N 0.99 4.31 -0.60 2.72 2.02 -1.26 -0.15 118.70 126.73 2pd6 s GLU 254 Ca -0.01 0.35 0.05 0.00 0.02 0.00 0.00 54.97 55.37 2pd6 s GLU 254 Cb -0.15 -3.44 0.17 0.00 0.10 0.00 0.00 34.13 30.81 2pd6 s GLU 254 CO -0.02 0.16 0.45 0.28 0.02 0.00 0.00 175.26 176.15 2pd6 n VAL 255 N 3.71 0.61 -0.47 2.63 0.31 -0.64 -4.90 118.33 119.57 2pd6 n VAL 255 Ca -0.08 -4.35 0.00 0.00 -0.01 0.00 0.00 64.34 59.90 2pd6 n VAL 255 Cb 0.52 -1.99 0.00 0.00 -0.91 0.00 0.00 33.84 31.45 2pd6 n VAL 255 CO 0.00 0.00 0.00 0.35 -1.32 0.00 0.00 176.83 175.86 2pd6 n THR 256 N 2.24 0.00 -1.15 2.52 -2.24 -1.26 -1.62 114.28 112.76 2pd6 n THR 256 Ca 0.24 -0.22 -0.05 0.00 -2.27 0.00 0.00 64.05 61.74 2pd6 n THR 256 Cb 0.40 1.47 -0.02 0.00 -2.10 0.00 0.00 70.33 70.08 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 0.06 0.69 1.65 3.38 0.00 -1.26 -2.32 105.19 107.40 2pd6 n GLY 257 Ca 0.00 -0.20 0.00 0.00 0.00 0.00 0.00 46.02 45.82 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 -1.04 0.57 3.26 -0.02 0.00 -1.26 -2.20 105.19 104.49 2pd6 n GLY 258 Ca -0.05 -0.17 -0.57 0.00 0.00 0.00 0.00 46.02 45.23 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 0.57 -0.55 0.99 7.94 -0.98 -4.42 117.00 120.54 2pd6 n LEU 259 Ca 0.00 1.05 0.07 0.00 -1.11 0.00 0.00 56.01 56.02 2pd6 n LEU 259 Cb 0.00 -0.81 0.06 0.00 0.53 0.00 0.00 43.42 43.20 2pd6 n LEU 259 CO 0.00 -1.21 0.47 2.22 -1.11 0.00 0.00 177.39 177.76