#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3mem s LEU 3 N 0.00 4.40 0.43 -4.62 1.43 -1.26 -5.02 118.68 114.05 3mem s LEU 3 Ca 0.00 2.09 -0.25 0.00 -1.03 0.00 0.00 54.13 54.94 3mem s LEU 3 Cb 0.00 -3.86 -0.10 0.00 0.03 0.00 0.00 46.19 42.26 3mem s LEU 3 CO 0.00 -0.20 1.22 -2.65 0.23 0.00 0.00 176.35 174.95 3mem n PRO 4 N 0.74 1.80 -0.12 1.29 -0.02 -1.26 -4.70 135.00 132.73 3mem n PRO 4 Ca 0.01 0.64 0.09 0.00 -2.02 0.00 0.00 63.50 62.22 3mem n PRO 4 Cb 0.47 -2.32 0.43 0.00 -0.02 0.00 0.00 33.50 32.06 3mem n PRO 4 CO 0.00 0.00 0.00 -0.39 1.98 0.00 0.00 175.50 177.09 3mem h VAL 5 N 1.94 0.97 -0.33 -1.45 -1.51 -1.97 -1.08 116.25 112.82 3mem h VAL 5 Ca -0.47 -0.20 -0.09 0.00 -1.23 0.00 0.00 66.70 64.71 3mem h VAL 5 Cb 1.30 0.34 -0.02 0.00 -2.13 0.00 0.00 31.29 30.79 3mem h VAL 5 CO 0.59 0.10 -0.17 1.62 -1.23 0.00 0.00 177.57 178.48 3mem h VAL 6 N 0.57 1.25 -0.11 7.19 3.04 -1.89 -1.35 116.25 124.95 3mem h VAL 6 Ca 0.28 -1.17 -0.08 0.00 -1.01 0.00 0.00 66.70 64.72 3mem h VAL 6 Cb 0.37 1.19 0.00 0.00 -2.01 0.00 0.00 31.29 30.84 3mem h VAL 6 CO -0.09 0.39 -0.26 0.58 -1.01 0.00 0.00 177.57 177.18 3mem h VAL 7 N 0.54 1.38 -0.40 1.51 2.07 -1.57 -1.88 116.25 117.89 3mem h VAL 7 Ca 0.09 -1.55 0.09 0.00 0.82 0.00 0.00 66.70 66.15 3mem h VAL 7 Cb 0.60 2.10 -0.09 0.00 -1.52 0.00 0.00 31.29 32.38 3mem h VAL 7 CO 0.04 0.45 -0.20 1.56 0.02 0.00 0.00 177.57 179.44 3mem h GLN 8 N -0.05 -0.12 -0.96 1.57 4.20 -1.28 0.12 115.11 118.58 3mem h GLN 8 Ca 0.00 0.01 0.11 0.00 0.06 0.00 0.00 58.65 58.83 3mem h GLN 8 Cb 0.85 0.03 -0.08 0.00 0.30 0.00 0.00 27.48 28.59 3mem h GLN 8 CO 0.06 -0.08 0.61 0.37 -0.67 0.00 0.00 178.83 179.12 3mem h GLN 9 N -0.13 0.93 -0.11 1.46 5.75 -1.17 -0.95 115.11 120.89 3mem h GLN 9 Ca 0.20 -0.06 -0.17 0.00 -0.15 0.00 0.00 58.65 58.47 3mem h GLN 9 Cb 0.43 -0.21 -0.01 0.00 1.07 0.00 0.00 27.48 28.77 3mem h GLN 9 CO -0.49 0.62 -0.64 0.00 -2.65 0.00 0.00 178.83 175.67 3mem h ALA 10 N 1.54 0.68 -0.13 3.38 0.00 -0.14 -3.06 119.26 121.52 3mem h ALA 10 Ca 0.46 -0.56 -0.16 0.00 0.00 0.00 0.00 54.91 54.65 3mem h ALA 10 Cb 0.45 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 18.16 3mem h ALA 10 CO -0.22 0.73 -0.60 -0.07 0.00 0.00 0.00 179.25 179.09 3mem h LEU 11 N 0.31 0.49 0.00 0.00 3.38 -0.18 -3.44 115.31 115.88 3mem h LEU 11 Ca -0.01 -0.28 0.00 0.00 0.09 0.00 0.00 57.88 57.68 3mem h LEU 11 Cb 1.19 -0.14 0.00 0.00 0.09 0.00 0.00 40.66 41.80 3mem h LEU 11 CO 0.11 0.98 0.00 0.61 0.09 0.00 0.00 178.44 180.23 3mem n GLY 12 N 0.31 2.55 1.69 0.83 0.00 -0.42 -2.07 105.19 108.07 3mem n GLY 12 Ca -0.03 -0.32 0.08 0.00 0.00 0.00 0.00 46.02 45.75 3mem n GLY 12 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 3mem n ASP 13 N 0.39 5.21 -0.60 1.61 8.00 -1.26 -4.50 116.55 125.39 3mem n ASP 13 Ca 0.00 -2.74 0.13 0.00 0.71 0.00 0.00 54.79 52.89 3mem n ASP 13 Cb 0.00 -0.63 0.40 0.00 -0.02 0.00 0.00 41.12 40.87 3mem n ASP 13 CO 0.00 0.00 0.00 0.59 -0.39 0.00 0.00 177.20 177.40 3mem n ASN 14 N 0.73 1.90 -3.51 -2.24 4.13 -0.88 -4.62 115.26 110.76 3mem n ASN 14 Ca 0.26 -1.62 -0.27 0.00 1.68 0.00 0.00 54.58 54.64 3mem n ASN 14 Cb 1.05 0.01 -0.10 0.00 -1.54 0.00 0.00 39.78 39.20 3mem n ASN 14 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 3mem n ALA 15 N 0.46 3.02 0.15 5.41 0.00 -1.26 -4.64 120.51 123.65 3mem n ALA 15 Ca 0.17 -3.56 0.02 0.00 0.00 0.00 0.00 53.44 50.07 3mem n ALA 15 Cb 0.42 -0.83 0.15 0.00 0.00 0.00 0.00 19.45 19.19 3mem n ALA 15 CO 0.00 0.00 0.00 -1.00 0.00 0.00 0.00 177.50 176.50 3mem h PRO 16 N 5.40 0.00 -0.66 0.00 0.13 -1.95 -3.26 132.00 131.66 3mem h PRO 16 Ca 0.22 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.35 3mem h PRO 16 Cb 0.86 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.99 3mem h PRO 16 CO 0.48 0.55 0.00 0.41 -0.23 0.00 0.00 178.00 179.21 3mem n GLY 17 N 0.69 2.68 3.73 1.56 0.00 -1.26 -4.98 105.19 107.61 3mem n GLY 17 Ca 0.00 -0.74 -0.42 0.00 0.00 0.00 0.00 46.02 44.86 3mem n GLY 17 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3mem s VAL 18 N -2.40 3.66 -0.24 1.61 0.11 -1.23 -4.25 120.40 117.67 3mem s VAL 18 Ca 0.44 1.30 0.01 0.00 -2.93 0.00 0.00 61.98 60.80 3mem s VAL 18 Cb 0.33 -3.83 0.06 0.00 -1.53 0.00 0.00 36.38 31.41 3mem s VAL 18 CO 0.13 0.16 -0.07 -0.55 -3.33 0.00 0.00 175.10 171.44 3mem s SER 19 N 0.58 3.93 -0.82 3.54 0.15 -1.26 -5.07 113.70 114.75 3mem s SER 19 Ca 0.57 -1.19 -0.17 0.00 0.70 0.00 0.00 55.95 55.85 3mem s SER 19 Cb -0.32 -1.27 0.15 0.00 -1.71 0.00 0.00 66.02 62.87 3mem s SER 19 CO 0.33 -0.21 0.92 0.12 1.20 0.00 0.00 173.24 175.60 3mem s PHE 20 N 1.33 3.30 0.28 3.44 5.36 -1.26 -4.34 117.98 126.08 3mem s PHE 20 Ca -0.06 -1.49 0.03 0.00 -0.96 0.00 0.00 56.93 54.46 3mem s PHE 20 Cb -0.19 -4.08 -0.06 0.00 -0.34 0.00 0.00 43.02 38.36 3mem s PHE 20 CO -0.06 -1.29 0.04 0.50 -1.46 0.00 0.00 175.22 172.95 3mem s ARG 21 N 1.88 1.49 0.11 10.12 3.52 -0.81 -4.96 118.95 130.30 3mem s ARG 21 Ca 0.23 -1.79 -0.31 0.00 -0.13 0.00 0.00 55.73 53.73 3mem s ARG 21 Cb -0.11 -0.67 -0.09 0.00 -1.56 0.00 0.00 34.95 32.53 3mem s ARG 21 CO -0.06 -0.17 1.56 0.45 -0.81 0.00 0.00 175.30 176.28 3mem s SER 22 N -3.39 6.64 0.25 -2.12 0.15 -1.26 -0.87 113.70 113.11 3mem s SER 22 Ca 0.34 2.50 -0.31 0.00 0.70 0.00 0.00 55.95 59.17 3mem s SER 22 Cb 0.07 -2.58 -0.11 0.00 -1.71 0.00 0.00 66.02 61.69 3mem s SER 22 CO 0.13 -0.81 1.64 -0.69 1.20 0.00 0.00 173.24 174.70 3mem s VAL 23 N 1.74 2.09 0.00 4.45 1.01 -0.47 -4.83 120.40 124.39 3mem s VAL 23 Ca 0.70 0.07 0.00 0.00 0.00 0.00 0.00 61.98 62.75 3mem s VAL 23 Cb -0.41 -3.04 0.00 0.00 0.00 0.00 0.00 36.38 32.93 3mem s VAL 23 CO 0.31 0.01 0.00 -1.54 0.00 0.00 0.00 175.10 173.88 3mem n SER 24 N 3.01 0.00 0.09 3.32 3.41 -1.26 -4.96 113.62 117.22 3mem n SER 24 Ca 0.12 -0.90 0.05 0.00 -0.26 0.00 0.00 58.87 57.88 3mem n SER 24 Cb 0.37 0.00 0.25 0.00 -0.26 0.00 0.00 64.21 64.57 3mem n SER 24 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3mem n GLN 25 N 0.00 0.06 -1.66 4.33 10.64 -1.26 -4.52 117.38 124.98 3mem n GLN 25 Ca 0.00 0.50 -0.44 0.00 -1.83 0.00 0.00 57.00 55.23 3mem n GLN 25 Cb 0.00 -1.85 -0.04 0.00 -0.86 0.00 0.00 30.24 27.49 3mem n GLN 25 CO 0.00 0.00 0.00 0.44 -1.83 0.00 0.00 177.06 175.67 3mem n ILE 26 N -1.81 0.67 -0.78 -0.39 -5.35 -1.26 -4.70 119.36 105.74 3mem n ILE 26 Ca -0.01 -0.16 -0.28 0.00 -0.27 0.00 0.00 62.75 62.03 3mem n ILE 26 Cb 0.16 -2.19 -0.02 0.00 -1.74 0.00 0.00 39.64 35.84 3mem n ILE 26 CO 0.00 0.00 0.00 -0.90 -1.76 0.00 0.00 176.55 173.89 3mem n ASP 27 N 7.70 -0.48 0.29 7.28 5.75 -1.26 -4.81 116.55 131.01 3mem n ASP 27 Ca 0.22 0.62 0.17 0.00 -0.01 0.00 0.00 54.79 55.80 3mem n ASP 27 Cb 0.37 -0.51 0.94 0.00 -1.03 0.00 0.00 41.12 40.88 3mem n ASP 27 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 3mem h THR 28 N 0.87 0.00 0.00 2.12 1.03 -1.84 -2.50 112.91 112.59 3mem h THR 28 Ca -0.19 0.00 0.00 0.00 -0.01 0.00 0.00 66.41 66.21 3mem h THR 28 Cb 0.78 0.76 0.00 0.00 -1.07 0.00 0.00 68.15 68.62 3mem h THR 28 CO 0.32 0.00 0.00 0.61 -0.01 0.00 0.00 175.52 176.44 3mem n GLY 29 N -1.17 -0.91 0.32 2.99 0.00 -1.26 -2.92 105.19 102.23 3mem n GLY 29 Ca -0.02 -0.09 0.11 0.00 0.00 0.00 0.00 46.02 46.02 3mem n GLY 29 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 3mem n HIS 30 N -1.29 0.00 -2.69 1.61 -0.00 -0.94 -4.98 115.22 106.93 3mem n HIS 30 Ca 0.09 0.00 -0.39 0.00 -0.00 0.00 0.00 57.72 57.41 3mem n HIS 30 Cb 0.15 -0.04 -0.06 0.00 -0.00 0.00 0.00 29.99 30.05 3mem n HIS 30 CO 0.00 0.00 0.00 -0.51 -0.00 0.00 0.00 176.34 175.83 3mem s LEU 31 N -2.62 4.55 0.36 2.41 1.43 -1.15 -0.10 118.68 123.56 3mem s LEU 31 Ca 0.17 2.00 0.08 0.00 -1.03 0.00 0.00 54.13 55.34 3mem s LEU 31 Cb 0.18 -3.71 -0.03 0.00 0.03 0.00 0.00 46.19 42.66 3mem s LEU 31 CO 0.63 0.03 0.25 -0.76 0.23 0.00 0.00 176.35 176.73 3mem s LEU 32 N -1.45 3.41 0.00 1.79 1.43 -0.11 -0.58 118.68 123.17 3mem s LEU 32 Ca 0.44 -0.68 0.00 0.00 -1.03 0.00 0.00 54.13 52.86 3mem s LEU 32 Cb -0.26 -1.96 0.00 0.00 0.03 0.00 0.00 46.19 44.00 3mem s LEU 32 CO 0.32 -0.40 0.00 -1.14 0.23 0.00 0.00 176.35 175.36 3mem n ARG 33 N -1.32 0.00 -3.64 1.70 0.63 -0.23 -4.53 116.66 109.27 3mem n ARG 33 Ca -0.01 0.00 -0.07 0.00 -0.92 0.00 0.00 57.85 56.85 3mem n ARG 33 Cb 0.61 0.00 -0.07 0.00 0.45 0.00 0.00 32.46 33.45 3mem n ARG 33 CO 0.00 0.00 0.00 0.08 -2.51 0.00 0.00 177.63 175.20 3mem s VAL 35 N -2.30 0.00 -0.20 5.15 1.01 0.19 -1.51 120.40 122.74 3mem s VAL 35 Ca 0.00 0.00 -0.18 0.00 0.00 0.00 0.00 61.98 61.80 3mem s VAL 35 Cb 0.00 -1.00 -0.03 0.00 0.00 0.00 0.00 36.38 35.35 3mem s VAL 35 CO 0.00 0.00 0.49 -0.76 0.00 0.00 0.00 175.10 174.83 3mem s LEU 36 N 0.88 4.15 0.26 3.92 1.43 -1.26 -1.26 118.68 126.80 3mem s LEU 36 Ca -0.04 0.65 0.06 0.00 -1.03 0.00 0.00 54.13 53.77 3mem s LEU 36 Cb -0.04 -2.67 -0.06 0.00 0.03 0.00 0.00 46.19 43.45 3mem s LEU 36 CO -0.11 -0.15 -0.06 -0.76 0.23 0.00 0.00 176.35 175.50 3mem s LEU 37 N 1.52 2.45 0.21 1.79 1.43 0.89 -4.91 118.68 122.06 3mem s LEU 37 Ca 0.23 -1.17 -0.21 0.00 -1.03 0.00 0.00 54.13 51.95 3mem s LEU 37 Cb -0.15 -0.58 0.04 0.00 0.03 0.00 0.00 46.19 45.53 3mem s LEU 37 CO 0.09 -0.35 0.62 -0.94 0.23 0.00 0.00 176.35 176.01 3mem s SER 38 N -3.40 -0.39 0.00 2.29 1.04 -0.10 -1.25 113.70 111.89 3mem s SER 38 Ca 0.28 -0.33 0.00 0.00 0.48 0.00 0.00 55.95 56.38 3mem s SER 38 Cb 0.03 0.64 0.00 0.00 0.10 0.00 0.00 66.02 66.79 3mem s SER 38 CO 0.11 -1.12 0.00 -0.90 0.98 0.00 0.00 173.24 172.30 3mem n ASP 39 N -0.40 0.00 0.25 7.02 5.68 -0.82 -1.36 116.55 126.92 3mem n ASP 39 Ca -0.11 -0.81 0.10 0.00 -0.50 0.00 0.00 54.79 53.47 3mem n ASP 39 Cb 0.62 0.00 0.66 0.00 -1.14 0.00 0.00 41.12 41.27 3mem n ASP 39 CO 0.00 0.00 0.00 0.44 -1.33 0.00 0.00 177.20 176.31 3mem h ASP 40 N 0.00 0.00 0.92 -1.12 3.45 -2.03 -1.97 116.42 115.68 3mem h ASP 40 Ca 0.00 0.00 0.00 0.00 0.43 0.00 0.00 57.03 57.46 3mem h ASP 40 Cb 0.00 0.00 0.00 0.00 -0.56 0.00 0.00 39.33 38.77 3mem h ASP 40 CO 0.00 0.11 0.00 0.00 -1.57 0.00 0.00 179.24 177.78 3mem n GLN 41 N -4.07 0.01 0.00 3.56 6.02 -1.26 -5.04 117.38 116.61 3mem n GLN 41 Ca -0.02 0.03 0.00 0.00 -0.01 0.00 0.00 57.00 57.00 3mem n GLN 41 Cb 0.19 -1.50 0.00 0.00 1.02 0.00 0.00 30.24 29.95 3mem n GLN 41 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 3mem n GLY 42 N 1.30 0.62 3.90 1.08 0.00 -0.74 -5.11 105.19 106.24 3mem n GLY 42 Ca 0.07 -2.11 -0.31 0.00 0.00 0.00 0.00 46.02 43.67 3mem n GLY 42 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 3mem s ASN 43 N -4.00 6.48 -0.19 1.61 0.01 -1.26 -1.95 114.94 115.64 3mem s ASN 43 Ca 0.00 0.56 -0.20 0.00 -0.71 0.00 0.00 52.86 52.51 3mem s ASN 43 Cb 0.00 -2.08 0.05 0.00 0.41 0.00 0.00 41.25 39.64 3mem s ASN 43 CO 0.00 0.05 0.55 -0.22 -1.51 0.00 0.00 177.10 175.97 3mem s LEU 44 N -2.69 -0.09 -0.10 0.60 0.20 -0.38 -4.21 118.68 112.02 3mem s LEU 44 Ca 0.41 1.04 0.01 0.00 0.69 0.00 0.00 54.13 56.28 3mem s LEU 44 Cb -0.12 1.89 -0.02 0.00 -0.43 0.00 0.00 46.19 47.51 3mem s LEU 44 CO 0.25 -0.22 -0.13 0.00 -0.29 0.00 0.00 176.35 175.96 3mem s GLN 45 N 0.14 3.04 -0.13 1.98 -2.07 0.34 -0.08 119.66 122.88 3mem s GLN 45 Ca -0.01 -0.68 0.01 0.00 -1.82 0.00 0.00 55.36 52.86 3mem s GLN 45 Cb -0.04 -2.54 -0.00 0.00 -1.09 0.00 0.00 33.01 29.34 3mem s GLN 45 CO 0.01 0.39 -0.17 0.00 -1.32 0.00 0.00 175.29 174.20 3mem s ALA 46 N -0.10 2.45 -0.15 2.60 0.00 -0.39 -1.07 121.76 125.10 3mem s ALA 46 Ca -0.02 -0.98 -0.03 0.00 0.00 0.00 0.00 51.96 50.93 3mem s ALA 46 Cb -0.14 -1.12 -0.03 0.00 0.00 0.00 0.00 23.12 21.84 3mem s ALA 46 CO 0.04 0.13 -0.05 0.42 0.00 0.00 0.00 175.76 176.29 3mem s ILE 47 N 0.57 3.81 0.19 0.00 1.01 0.46 -0.64 121.20 126.60 3mem s ILE 47 Ca -0.10 -0.39 -0.11 0.00 0.00 0.00 0.00 60.65 60.05 3mem s ILE 47 Cb -0.16 -2.66 -0.00 0.00 0.01 0.00 0.00 42.46 39.65 3mem s ILE 47 CO 0.04 0.51 0.37 0.00 0.00 0.00 0.00 174.94 175.85 3mem s ARG 49 N -3.97 4.11 0.17 0.00 0.52 -1.26 -1.06 118.95 117.45 3mem s ARG 49 Ca 0.18 2.58 -0.21 0.00 -0.52 0.00 0.00 55.73 57.77 3mem s ARG 49 Cb 0.02 -2.98 0.08 0.00 0.52 0.00 0.00 34.95 32.59 3mem s ARG 49 CO 0.02 -0.56 1.62 -0.09 0.02 0.00 0.00 175.30 176.31 3mem h ARG 50 N 3.44 -0.18 -0.00 3.54 2.43 -1.08 -1.80 114.38 120.73 3mem h ARG 50 Ca -0.50 0.01 0.00 0.00 -0.81 0.00 0.00 59.98 58.68 3mem h ARG 50 Cb 1.23 0.04 0.00 0.00 -0.42 0.00 0.00 29.97 30.82 3mem h ARG 50 CO 0.68 -0.12 -0.07 0.09 -1.51 0.00 0.00 179.97 179.04 3mem n ASN 51 N -5.39 0.26 0.00 -3.80 3.02 -1.26 -4.93 115.26 103.15 3mem n ASN 51 Ca 0.02 -0.37 0.00 0.00 -0.03 0.00 0.00 54.58 54.20 3mem n ASN 51 Cb 0.31 -0.16 0.00 0.00 -0.61 0.00 0.00 39.78 39.32 3mem n ASN 51 CO 0.00 0.00 0.00 0.47 -2.62 0.00 0.00 177.26 175.11 3mem n ASP 52 N -1.12 0.00 -3.74 6.41 9.92 -0.68 -4.68 116.55 122.67 3mem n ASP 52 Ca 0.14 0.00 -0.17 0.00 -0.53 0.00 0.00 54.79 54.23 3mem n ASP 52 Cb 0.26 0.00 -0.17 0.00 -0.64 0.00 0.00 41.12 40.57 3mem n ASP 52 CO 0.00 0.00 0.00 -0.22 0.13 0.00 0.00 177.20 177.11 3mem s LEU 54 N 0.00 0.74 -0.85 0.64 0.20 -1.26 -4.87 118.68 113.28 3mem s LEU 54 Ca 0.00 0.05 -0.14 0.00 0.69 0.00 0.00 54.13 54.74 3mem s LEU 54 Cb 0.00 -0.10 0.22 0.00 -0.43 0.00 0.00 46.19 45.88 3mem s LEU 54 CO 0.00 -0.17 0.80 -0.62 -0.29 0.00 0.00 176.35 176.07 3mem s ASP 55 N 1.47 6.82 0.23 3.68 -1.08 0.68 -4.90 116.67 123.56 3mem s ASP 55 Ca -0.04 -2.77 -0.07 0.00 -0.52 0.00 0.00 52.55 49.15 3mem s ASP 55 Cb -0.13 -2.21 0.34 0.00 -1.46 0.00 0.00 42.92 39.46 3mem s ASP 55 CO -0.03 -0.55 1.79 0.25 0.52 0.00 0.00 175.17 177.15 3mem h LEU 56 N 7.69 0.51 -0.59 -1.34 5.85 -1.97 -1.47 115.31 123.98 3mem h LEU 56 Ca 0.12 0.06 0.11 0.00 0.84 0.00 0.00 57.88 59.00 3mem h LEU 56 Cb 1.03 -0.03 -0.08 0.00 0.37 0.00 0.00 40.66 41.94 3mem h LEU 56 CO 0.77 0.29 0.14 -0.08 -0.34 0.00 0.00 178.44 179.22 3mem h GLU 57 N 0.64 0.26 -0.27 1.25 4.57 -1.94 0.45 114.58 119.55 3mem h GLU 57 Ca 0.35 -0.02 -0.04 0.00 -1.18 0.00 0.00 59.36 58.48 3mem h GLU 57 Cb 0.35 -0.06 -0.01 0.00 -0.16 0.00 0.00 28.75 28.87 3mem h GLU 57 CO -0.26 0.17 0.01 0.00 -1.18 0.00 0.00 179.01 177.76 3mem h ALA 58 N 1.46 0.36 -0.39 2.92 0.00 -1.65 -1.70 119.26 120.27 3mem h ALA 58 Ca 0.31 -0.21 -0.02 0.00 0.00 0.00 0.00 54.91 54.99 3mem h ALA 58 Cb 0.45 -0.10 -0.02 0.00 0.00 0.00 0.00 17.79 18.12 3mem h ALA 58 CO -0.39 0.08 0.17 1.25 0.00 0.00 0.00 179.25 180.36 3mem h LEU 59 N 0.26 0.52 -0.05 0.00 5.85 -0.86 -1.71 115.31 119.32 3mem h LEU 59 Ca 0.08 -0.15 -0.00 0.00 0.84 0.00 0.00 57.88 58.64 3mem h LEU 59 Cb 0.39 -0.14 -0.00 0.00 0.37 0.00 0.00 40.66 41.29 3mem h LEU 59 CO 0.01 0.53 0.02 0.78 -0.34 0.00 0.00 178.44 179.44 3mem h ASN 60 N 0.48 0.07 -0.61 1.25 2.35 0.05 -1.21 115.58 117.97 3mem h ASN 60 Ca 0.13 -0.17 0.08 0.00 -0.55 0.00 0.00 56.30 55.79 3mem h ASN 60 Cb 0.16 -0.02 -0.06 0.00 0.05 0.00 0.00 38.32 38.45 3mem h ASN 60 CO -0.01 0.22 0.27 0.11 -1.65 0.00 0.00 177.43 176.37 3mem h LYS 61 N -0.08 0.48 -0.69 0.81 1.57 -1.31 0.31 116.57 117.66 3mem h LYS 61 Ca 0.02 -0.03 -0.01 0.00 -1.87 0.00 0.00 60.65 58.76 3mem h LYS 61 Cb 0.17 -0.11 -0.03 0.00 0.08 0.00 0.00 32.23 32.34 3mem h LYS 61 CO -0.00 0.32 0.39 -0.09 -0.57 0.00 0.00 179.45 179.50 3mem h ARG 62 N 0.49 0.95 -0.01 3.15 9.65 -1.00 -2.99 114.38 124.63 3mem h ARG 62 Ca 0.29 -0.09 0.00 0.00 -1.10 0.00 0.00 59.98 59.08 3mem h ARG 62 Cb 0.30 -0.19 0.00 0.00 -1.39 0.00 0.00 29.97 28.68 3mem h ARG 62 CO -0.25 0.69 -0.79 1.28 2.80 0.00 0.00 179.97 183.70 3mem n LEU 63 N -4.38 1.35 -2.63 3.80 4.77 -0.48 -4.98 117.00 114.45 3mem n LEU 63 Ca 0.07 -0.60 -0.15 0.00 -0.03 0.00 0.00 56.01 55.30 3mem n LEU 63 Cb 0.09 0.00 0.06 0.00 -2.33 0.00 0.00 43.42 41.24 3mem n LEU 63 CO 0.37 0.29 0.14 0.61 -1.33 0.00 0.00 177.39 177.48 3mem n GLY 64 N 1.45 -0.08 2.44 -0.72 0.00 0.98 -5.03 105.19 104.23 3mem n GLY 64 Ca 0.06 -0.05 -0.19 0.00 0.00 0.00 0.00 46.02 45.84 3mem n GLY 64 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3mem n ARG 65 N -3.47 0.73 -2.65 1.61 1.74 -0.57 -5.03 116.66 109.02 3mem n ARG 65 Ca -0.05 -2.51 -0.10 0.00 -0.77 0.00 0.00 57.85 54.42 3mem n ARG 65 Cb 0.56 1.28 0.03 0.00 -1.02 0.00 0.00 32.46 33.31 3mem n ARG 65 CO 0.00 0.00 0.00 -3.47 -1.52 0.00 0.00 177.63 172.64 3mem n ASP 66 N -1.62 1.99 -4.76 0.55 2.03 -1.26 -4.59 116.55 108.88 3mem n ASP 66 Ca -0.05 -2.75 -0.36 0.00 0.52 0.00 0.00 54.79 52.15 3mem n ASP 66 Cb 0.44 -0.51 0.03 0.00 -0.72 0.00 0.00 41.12 40.37 3mem n ASP 66 CO 0.00 0.00 0.00 -0.76 -1.92 0.00 0.00 177.20 174.52 3mem s LEU 67 N -3.31 3.69 0.00 -2.67 1.43 -1.26 -4.58 118.68 111.99 3mem s LEU 67 Ca 0.30 2.37 0.00 0.00 -1.03 0.00 0.00 54.13 55.78 3mem s LEU 67 Cb 0.43 -4.58 0.00 0.00 0.03 0.00 0.00 46.19 42.07 3mem s LEU 67 CO -0.00 -1.52 0.00 -2.11 0.23 0.00 0.00 176.35 172.94 3mem n ARG 68 N -1.50 0.00 -4.99 1.70 1.85 -0.46 -4.94 116.66 108.32 3mem n ARG 68 Ca 0.13 0.00 -0.28 0.00 -1.00 0.00 0.00 57.85 56.70 3mem n ARG 68 Cb 0.50 0.00 -0.16 0.00 -1.05 0.00 0.00 32.46 31.74 3mem n ARG 68 CO 0.00 0.00 0.00 -0.65 -0.01 0.00 0.00 177.63 176.97 3mem s GLN 71 N 0.00 2.02 0.25 2.89 -0.21 -1.26 -0.92 119.66 122.42 3mem s GLN 71 Ca 0.00 -0.71 -0.04 0.00 0.02 0.00 0.00 55.36 54.62 3mem s GLN 71 Cb 0.00 -1.75 0.49 0.00 1.00 0.00 0.00 33.01 32.75 3mem s GLN 71 CO 0.00 0.31 1.68 -0.09 -2.12 0.00 0.00 175.29 175.06 3mem h ARG 72 N 6.14 0.24 -0.77 2.91 9.65 -2.00 -1.11 114.38 129.43 3mem h ARG 72 Ca -0.33 -0.01 0.09 0.00 -1.10 0.00 0.00 59.98 58.63 3mem h ARG 72 Cb 1.17 -0.05 -0.07 0.00 -1.39 0.00 0.00 29.97 29.63 3mem h ARG 72 CO 0.48 0.16 0.42 -0.09 2.80 0.00 0.00 179.97 183.74 3mem h ARG 73 N 0.25 0.70 -0.01 0.20 2.43 -2.05 0.14 114.38 116.05 3mem h ARG 73 Ca 0.43 -0.04 -0.14 0.00 -0.81 0.00 0.00 59.98 59.42 3mem h ARG 73 Cb 0.76 -0.16 -0.02 0.00 -0.42 0.00 0.00 29.97 30.13 3mem h ARG 73 CO -0.54 0.46 -0.65 1.49 -1.51 0.00 0.00 179.97 179.23 3mem h GLU 74 N 0.72 0.03 -0.02 0.20 4.81 -1.65 -1.71 114.58 116.97 3mem h GLU 74 Ca 0.37 -0.03 -0.24 0.00 -0.13 0.00 0.00 59.36 59.34 3mem h GLU 74 Cb 0.34 0.00 0.01 0.00 0.63 0.00 0.00 28.75 29.74 3mem h GLU 74 CO -0.25 0.67 -0.96 1.96 -0.73 0.00 0.00 179.01 179.71 3mem h GLN 75 N 0.02 0.56 -0.77 1.92 4.20 -0.90 -1.51 115.11 118.62 3mem h GLN 75 Ca -0.01 -0.58 0.01 0.00 0.06 0.00 0.00 58.65 58.14 3mem h GLN 75 Cb 1.15 0.16 -0.04 0.00 0.30 0.00 0.00 27.48 29.05 3mem h GLN 75 CO 0.09 1.20 0.51 0.28 -0.67 0.00 0.00 178.83 180.23 3mem h VAL 76 N 0.32 1.19 -0.06 -0.54 2.07 -0.68 -1.38 116.25 117.18 3mem h VAL 76 Ca -0.09 -0.36 -0.00 0.00 0.82 0.00 0.00 66.70 67.07 3mem h VAL 76 Cb 1.59 0.06 -0.00 0.00 -1.52 0.00 0.00 31.29 31.42 3mem h VAL 76 CO 0.18 0.19 0.03 -0.09 0.02 0.00 0.00 177.57 177.89 3mem h ARG 77 N 1.04 0.08 -0.27 1.57 2.43 -1.02 0.11 114.38 118.32 3mem h ARG 77 Ca 0.28 -0.01 -0.15 0.00 -0.81 0.00 0.00 59.98 59.29 3mem h ARG 77 Cb -0.11 -0.01 -0.01 0.00 -0.42 0.00 0.00 29.97 29.42 3mem h ARG 77 CO -0.07 0.19 -0.43 -0.24 -1.51 0.00 0.00 179.97 177.92 3mem h VAL 78 N -0.05 1.30 -0.14 0.20 3.04 -1.07 -2.36 116.25 117.18 3mem h VAL 78 Ca 0.02 -1.62 -0.15 0.00 -1.01 0.00 0.00 66.70 63.94 3mem h VAL 78 Cb 0.14 1.55 -0.01 0.00 -2.01 0.00 0.00 31.29 30.96 3mem h VAL 78 CO -0.00 0.52 -0.56 0.03 -1.01 0.00 0.00 177.57 176.55 3mem h ARG 79 N 0.54 0.43 -0.47 4.17 3.08 -1.19 -2.50 114.38 118.43 3mem h ARG 79 Ca 0.04 -0.27 -0.10 0.00 0.07 0.00 0.00 59.98 59.72 3mem h ARG 79 Cb 0.97 0.03 -0.02 0.00 0.08 0.00 0.00 29.97 31.03 3mem h ARG 79 CO 0.09 0.87 -0.09 0.37 -1.07 0.00 0.00 179.97 180.14 3mem h GLN 80 N 0.33 0.85 -0.45 0.04 4.15 -0.58 -1.32 115.11 118.13 3mem h GLN 80 Ca 0.00 -0.28 -0.08 0.00 0.77 0.00 0.00 58.65 59.06 3mem h GLN 80 Cb 1.08 -0.07 -0.02 0.00 0.21 0.00 0.00 27.48 28.68 3mem h GLN 80 CO 0.10 0.91 -0.02 -0.22 -1.93 0.00 0.00 178.83 177.66 3mem h LYS 81 N 0.77 0.81 0.00 1.69 3.64 -1.37 -1.94 116.57 120.16 3mem h LYS 81 Ca 0.13 -0.27 0.00 0.00 -1.27 0.00 0.00 60.65 59.24 3mem h LYS 81 Cb 0.59 -0.07 0.00 0.00 -0.41 0.00 0.00 32.23 32.35 3mem h LYS 81 CO 0.04 0.88 0.00 0.00 -2.27 0.00 0.00 179.45 178.10 3mem n ALA 82 N -2.43 1.76 -1.95 5.00 0.00 -0.95 -4.90 120.51 117.04 3mem n ALA 82 Ca -0.00 0.04 -0.13 0.00 0.00 0.00 0.00 53.44 53.35 3mem n ALA 82 Cb 0.32 -1.37 -0.02 0.00 0.00 0.00 0.00 19.45 18.38 3mem n ALA 82 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3mem n GLY 83 N 0.21 0.34 3.32 0.00 0.00 -0.54 -4.87 105.19 103.65 3mem n GLY 83 Ca 0.03 -0.39 -0.28 0.00 0.00 0.00 0.00 46.02 45.39 3mem n GLY 83 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3mem s LEU 84 N -3.37 2.21 0.26 0.99 1.43 -0.95 -5.03 118.68 114.22 3mem s LEU 84 Ca 0.00 -0.61 0.13 0.00 -1.03 0.00 0.00 54.13 52.62 3mem s LEU 84 Cb 0.00 -1.13 0.23 0.00 0.03 0.00 0.00 46.19 45.32 3mem s LEU 84 CO 0.00 0.19 1.52 1.56 0.23 0.00 0.00 176.35 179.85 3mem h GLN 85 N 4.58 0.00 -3.19 1.70 1.08 -1.86 -3.42 115.11 114.00 3mem h GLN 85 Ca -0.46 0.00 -0.18 0.00 -1.45 0.00 0.00 58.65 56.56 3mem h GLN 85 Cb 1.16 0.00 -0.27 0.00 -0.05 0.00 0.00 27.48 28.32 3mem h GLN 85 CO 0.42 0.63 -0.47 -2.00 -0.95 0.00 0.00 178.83 176.46 3mem s GLU 86 N -3.23 0.24 -0.18 1.46 2.12 -1.26 -4.97 118.70 112.89 3mem s GLU 86 Ca 0.01 0.33 -0.29 0.00 0.36 0.00 0.00 54.97 55.38 3mem s GLU 86 Cb 0.10 0.08 -0.00 0.00 0.26 0.00 0.00 34.13 34.58 3mem s GLU 86 CO 0.75 -0.05 1.04 -0.51 -0.54 0.00 0.00 175.26 175.96 3mem s LEU 87 N 0.29 4.16 0.93 2.70 1.43 -1.26 -4.23 118.68 122.71 3mem s LEU 87 Ca -0.01 1.46 -0.12 0.00 -1.03 0.00 0.00 54.13 54.43 3mem s LEU 87 Cb -0.03 -3.55 0.15 0.00 0.03 0.00 0.00 46.19 42.80 3mem s LEU 87 CO -0.01 -0.59 1.12 -2.16 0.23 0.00 0.00 176.35 174.94 3mem s PRO 88 N 2.75 0.95 -1.31 1.29 0.04 -1.26 -4.88 135.00 132.58 3mem s PRO 88 Ca 0.46 0.36 -0.09 0.00 0.04 0.00 0.00 61.00 61.78 3mem s PRO 88 Cb -0.17 -1.81 -0.07 0.00 0.04 0.00 0.00 34.50 32.49 3mem s PRO 88 CO 0.11 -2.34 2.56 0.00 0.04 0.00 0.00 177.00 177.37 3mem n ALA 89 N -3.88 6.22 -4.02 8.56 0.00 -1.26 -4.77 120.51 121.37 3mem n ALA 89 Ca 0.06 -2.91 -0.32 0.00 0.00 0.00 0.00 53.44 50.27 3mem n ALA 89 Cb 0.59 -3.24 -0.15 0.00 0.00 0.00 0.00 19.45 16.65 3mem n ALA 89 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 3mem s LEU 90 N 0.24 3.98 0.35 0.00 1.43 -1.26 -5.03 118.68 118.39 3mem s LEU 90 Ca 0.56 -1.67 0.02 0.00 -1.03 0.00 0.00 54.13 52.02 3mem s LEU 90 Cb 0.15 -1.59 0.64 0.00 0.03 0.00 0.00 46.19 45.41 3mem s LEU 90 CO -0.05 -0.27 2.00 -0.65 0.23 0.00 0.00 176.35 177.62 3mem h PRO 91 N 7.74 0.83 0.00 1.29 0.11 -1.86 -2.19 132.00 137.92 3mem h PRO 91 Ca -0.14 -0.05 0.00 0.00 0.11 0.00 0.00 66.00 65.92 3mem h PRO 91 Cb 1.03 -0.19 0.00 0.00 0.11 0.00 0.00 31.00 31.96 3mem h PRO 91 CO 0.49 0.55 0.00 -1.13 -0.21 0.00 0.00 178.00 177.70 3mem n SER 92 N -4.44 0.00 -0.33 -2.05 3.41 -1.26 -1.51 113.62 107.44 3mem n SER 92 Ca 0.07 0.06 0.05 0.00 -0.26 0.00 0.00 58.87 58.79 3mem n SER 92 Cb 0.06 -0.30 0.23 0.00 -0.26 0.00 0.00 64.21 63.94 3mem n SER 92 CO 0.00 0.00 0.00 -0.07 -0.16 0.00 0.00 175.04 174.81 3mem h LEU 93 N 0.00 0.94 0.00 1.04 3.38 -1.72 -3.29 115.31 115.67 3mem h LEU 93 Ca 0.00 0.02 -0.08 0.00 0.09 0.00 0.00 57.88 57.90 3mem h LEU 93 Cb 0.18 -0.18 -0.02 0.00 0.09 0.00 0.00 40.66 40.73 3mem h LEU 93 CO 0.00 0.58 -1.55 0.35 0.09 0.00 0.00 178.44 177.91 3mem n THR 94 N -4.52 0.32 -0.92 0.22 -2.24 -1.01 -5.00 114.28 101.13 3mem n THR 94 Ca 0.15 -0.31 0.00 0.00 -2.27 0.00 0.00 64.05 61.62 3mem n THR 94 Cb 0.24 -0.23 0.00 0.00 -2.10 0.00 0.00 70.33 68.24 3mem n THR 94 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3mem n GLY 95 N 2.17 0.62 3.80 3.38 0.00 -0.57 -5.01 105.19 109.58 3mem n GLY 95 Ca -0.08 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.61 3mem n GLY 95 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 3mem s TRP 96 N -2.71 2.89 0.36 1.61 0.51 -1.26 -4.97 118.94 115.37 3mem s TRP 96 Ca 0.00 1.51 -0.27 0.00 -2.12 0.00 0.00 56.10 55.22 3mem s TRP 96 Cb 0.00 -3.03 -0.12 0.00 -0.81 0.00 0.00 33.47 29.51 3mem s TRP 96 CO 0.00 -1.32 1.21 -2.30 -0.51 0.00 0.00 176.95 174.03 3mem n PRO 97 N -2.40 1.88 -4.18 4.98 -0.02 -1.26 -4.75 135.00 129.24 3mem n PRO 97 Ca 0.09 0.66 -0.16 0.00 -2.02 0.00 0.00 63.50 62.07 3mem n PRO 97 Cb 0.53 -2.24 -0.14 0.00 -0.02 0.00 0.00 33.50 31.63 3mem n PRO 97 CO 0.00 0.00 0.00 0.99 1.98 0.00 0.00 175.50 178.47 3mem s THR 98 N -1.14 0.53 0.10 3.45 2.01 -1.26 -0.50 115.64 118.83 3mem s THR 98 Ca 0.58 -0.47 0.05 0.00 0.31 0.00 0.00 61.69 62.16 3mem s THR 98 Cb -0.57 -0.48 -0.04 0.00 0.01 0.00 0.00 72.50 71.42 3mem s THR 98 CO 0.60 0.02 -0.13 0.68 -0.69 0.00 0.00 174.62 175.10 3mem s VAL 99 N -0.44 1.21 -0.08 3.82 -7.23 -0.23 -3.35 120.40 114.11 3mem s VAL 99 Ca -0.00 -1.60 0.04 0.00 -1.81 0.00 0.00 61.98 58.60 3mem s VAL 99 Cb -0.04 -1.39 0.00 0.00 0.56 0.00 0.00 36.38 35.52 3mem s VAL 99 CO -0.00 -0.39 -0.19 -0.69 -0.31 0.00 0.00 175.10 173.52 3mem s VAL 100 N -1.97 1.66 0.30 1.32 1.01 -0.37 -0.40 120.40 121.94 3mem s VAL 100 Ca 0.06 -0.80 -0.29 0.00 0.00 0.00 0.00 61.98 60.95 3mem s VAL 100 Cb -0.06 -1.45 -0.10 0.00 0.00 0.00 0.00 36.38 34.77 3mem s VAL 100 CO 0.02 0.47 1.17 -0.62 0.00 0.00 0.00 175.10 176.14 3mem s ASP 101 N 0.39 7.11 0.58 3.32 2.15 -0.66 -2.31 116.67 127.24 3mem s ASP 101 Ca -0.15 2.41 0.34 0.00 0.43 0.00 0.00 52.55 55.58 3mem s ASP 101 Cb -0.16 -2.63 1.77 0.00 -0.30 0.00 0.00 42.92 41.59 3mem s ASP 101 CO 0.06 -0.27 2.16 0.03 -0.17 0.00 0.00 175.17 176.98 3mem h ARG 102 N 3.69 0.00 -0.07 4.34 3.08 -1.73 -1.70 114.38 122.00 3mem h ARG 102 Ca -0.47 0.00 0.02 0.00 0.07 0.00 0.00 59.98 59.60 3mem h ARG 102 Cb 1.22 0.00 -0.00 0.00 0.08 0.00 0.00 29.97 31.26 3mem h ARG 102 CO 0.66 0.05 0.05 0.00 -1.07 0.00 0.00 179.97 179.66 3mem h ARG 103 N 0.00 0.00 -0.80 0.04 3.08 -1.92 -2.53 114.38 112.25 3mem h ARG 103 Ca -0.00 0.00 -0.03 0.00 0.07 0.00 0.00 59.98 60.02 3mem h ARG 103 Cb 0.24 0.00 -0.04 0.00 0.08 0.00 0.00 29.97 30.25 3mem h ARG 103 CO 0.01 0.00 0.38 0.28 -1.07 0.00 0.00 179.97 179.56 3mem h VAL 104 N 0.00 1.25 0.00 2.04 2.07 -1.67 -2.21 116.25 117.72 3mem h VAL 104 Ca 0.03 -0.70 0.00 0.00 0.82 0.00 0.00 66.70 66.85 3mem h VAL 104 Cb 0.13 0.23 0.00 0.00 -1.52 0.00 0.00 31.29 30.14 3mem h VAL 104 CO -0.00 0.30 0.00 0.44 0.02 0.00 0.00 177.57 178.33 3mem h ASP 105 N 1.13 0.00 1.03 0.57 3.32 -1.61 -2.79 116.42 118.08 3mem h ASP 105 Ca 0.27 0.00 -0.02 0.00 0.02 0.00 0.00 57.03 57.30 3mem h ASP 105 Cb 0.12 0.00 -0.00 0.00 0.22 0.00 0.00 39.33 39.67 3mem h ASP 105 CO -0.03 0.00 -0.10 -0.33 -1.72 0.00 0.00 179.24 177.06 3mem h GLU 106 N 0.00 0.00 -6.84 3.56 5.08 -1.45 -3.44 114.58 111.48 3mem h GLU 106 Ca 0.00 0.00 -0.51 0.00 -1.00 0.00 0.00 59.36 57.85 3mem h GLU 106 Cb 0.53 0.00 0.03 0.00 0.50 0.00 0.00 28.75 29.81 3mem h GLU 106 CO 0.00 0.10 0.50 -0.51 -1.00 0.00 0.00 179.01 178.10 3mem s LEU 107 N -6.45 4.47 0.06 1.33 1.43 -1.05 -4.96 118.68 113.50 3mem s LEU 107 Ca 0.01 2.33 -0.16 0.00 -1.03 0.00 0.00 54.13 55.29 3mem s LEU 107 Cb 0.09 -3.71 -0.20 0.00 0.03 0.00 0.00 46.19 42.41 3mem s LEU 107 CO 0.59 -0.28 1.21 -0.33 0.23 0.00 0.00 176.35 177.77 3mem h GLU 108 N 3.54 0.62 -5.05 1.70 5.08 -1.90 -3.42 114.58 115.14 3mem h GLU 108 Ca -0.47 -0.57 -0.37 0.00 -1.00 0.00 0.00 59.36 56.94 3mem h GLU 108 Cb 1.22 0.14 -0.22 0.00 0.50 0.00 0.00 28.75 30.39 3mem h GLU 108 CO 0.66 1.19 -0.77 0.00 -1.00 0.00 0.00 179.01 179.09 3mem s ALA 109 N -3.51 0.95 0.03 3.43 0.00 -1.26 -0.24 121.76 121.16 3mem s ALA 109 Ca -0.11 -0.87 0.09 0.00 0.00 0.00 0.00 51.96 51.06 3mem s ALA 109 Cb 0.06 -0.07 -0.03 0.00 0.00 0.00 0.00 23.12 23.09 3mem s ALA 109 CO 0.87 0.11 -0.25 0.14 0.00 0.00 0.00 175.76 176.63 3mem s VAL 110 N -1.20 2.05 -0.15 0.00 -7.23 -1.26 -4.86 120.40 107.74 3mem s VAL 110 Ca -0.04 -1.29 -0.02 0.00 -1.81 0.00 0.00 61.98 58.83 3mem s VAL 110 Cb -0.09 -1.74 -0.02 0.00 0.56 0.00 0.00 36.38 35.09 3mem s VAL 110 CO 0.01 0.40 -0.09 0.00 -0.31 0.00 0.00 175.10 175.11 3mem s ALA 111 N -0.75 2.75 -0.02 1.32 0.00 0.86 -4.81 121.76 121.11 3mem s ALA 111 Ca 0.11 -0.91 0.00 0.00 0.00 0.00 0.00 51.96 51.16 3mem s ALA 111 Cb -0.10 -1.38 -0.04 0.00 0.00 0.00 0.00 23.12 21.61 3mem s ALA 111 CO 0.01 0.13 0.01 -0.51 0.00 0.00 0.00 175.76 175.41 3mem s LEU 112 N 0.53 3.58 -0.15 0.00 1.43 0.19 -0.93 118.68 123.33 3mem s LEU 112 Ca -0.06 0.05 -0.08 0.00 -1.03 0.00 0.00 54.13 53.01 3mem s LEU 112 Cb -0.15 -2.00 -0.04 0.00 0.03 0.00 0.00 46.19 44.03 3mem s LEU 112 CO 0.03 0.30 0.12 -1.61 0.23 0.00 0.00 176.35 175.43 3mem s GLU 113 N -1.40 3.74 -0.00 1.70 2.02 -1.26 -1.45 118.70 122.04 3mem s GLU 113 Ca 0.18 -0.20 0.08 0.00 0.02 0.00 0.00 54.97 55.05 3mem s GLU 113 Cb -0.12 -3.25 0.24 0.00 0.10 0.00 0.00 34.13 31.11 3mem s GLU 113 CO 0.09 0.55 1.19 1.28 0.02 0.00 0.00 175.26 178.39 3mem n LEU 114 N 2.71 1.51 0.00 1.80 4.77 -1.20 -4.06 117.00 122.53 3mem n LEU 114 Ca -0.18 -0.76 0.00 0.00 -0.03 0.00 0.00 56.01 55.04 3mem n LEU 114 Cb 0.54 -0.20 0.00 0.00 -2.33 0.00 0.00 43.42 41.43 3mem n LEU 114 CO 0.33 0.37 0.00 0.61 -1.33 0.00 0.00 177.39 177.37 3mem n GLY 115 N 0.91 2.08 0.00 -0.72 0.00 -1.26 -4.19 105.19 102.01 3mem n GLY 115 Ca 0.09 -0.65 0.00 0.00 0.00 0.00 0.00 46.02 45.47 3mem n GLY 115 CO 0.00 0.00 0.00 -1.84 0.00 0.00 0.00 173.32 171.48 3mem n GLU 116 N 0.00 1.74 0.00 1.61 -0.00 -1.26 -4.77 120.64 117.96 3mem n GLU 116 Ca 0.00 0.00 0.03 0.00 -0.00 0.00 0.00 57.16 57.19 3mem n GLU 116 Cb 0.00 -0.89 0.15 0.00 -0.00 0.00 0.00 31.44 30.70 3mem n GLU 116 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.13 178.17 3mem n GLN 117 N -1.94 0.16 -0.89 3.44 3.00 -1.26 -4.72 117.38 115.17 3mem n GLN 117 Ca 0.00 0.01 0.00 0.00 -0.01 0.00 0.00 57.00 57.00 3mem n GLN 117 Cb 0.39 -1.50 0.00 0.00 0.00 0.00 0.00 30.24 29.13 3mem n GLN 117 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.06 173.59 3mem n ASP 118 N -1.01 -2.83 -4.95 1.08 -0.08 -1.26 -5.00 116.55 102.50 3mem n ASP 118 Ca 0.04 0.00 -0.23 0.00 -1.51 0.00 0.00 54.79 53.09 3mem n ASP 118 Cb 0.02 -1.90 -0.02 0.00 2.34 0.00 0.00 41.12 41.56 3mem n ASP 118 CO 0.00 0.00 0.00 -0.76 0.12 0.00 0.00 177.20 176.56 3mem s LEU 119 N 0.00 4.15 0.28 -2.67 1.43 -1.26 -1.37 118.68 119.25 3mem s LEU 119 Ca 0.00 0.30 -0.19 0.00 -1.03 0.00 0.00 54.13 53.21 3mem s LEU 119 Cb 0.00 -3.13 0.02 0.00 0.03 0.00 0.00 46.19 43.11 3mem s LEU 119 CO 0.00 -0.18 0.67 -0.83 0.23 0.00 0.00 176.35 176.24 3mem s GLY 120 N -3.92 0.09 0.15 -3.19 0.00 -0.05 -3.28 107.32 97.13 3mem s GLY 120 Ca 0.38 -0.47 0.01 0.00 0.00 0.00 0.00 44.72 44.63 3mem s GLY 120 CO 0.33 -0.22 0.04 1.04 0.00 0.00 0.00 173.10 174.29 3mem n LEU 121 N -0.45 0.00 -4.81 0.66 4.77 -0.53 -1.93 117.00 114.71 3mem n LEU 121 Ca -0.04 -0.89 -0.34 0.00 -0.03 0.00 0.00 56.01 54.71 3mem n LEU 121 Cb 0.60 0.06 -0.07 0.00 -2.33 0.00 0.00 43.42 41.68 3mem n LEU 121 CO 0.18 -0.21 0.64 -2.16 -1.33 0.00 0.00 177.39 174.50 3mem s PRO 124 N -2.58 4.32 0.30 3.23 0.04 -1.26 0.54 135.00 139.60 3mem s PRO 124 Ca 0.03 1.16 0.03 0.00 0.04 0.00 0.00 61.00 62.26 3mem s PRO 124 Cb -0.00 -2.37 0.76 0.00 0.04 0.00 0.00 34.50 32.93 3mem s PRO 124 CO 0.02 0.07 1.61 0.00 0.04 0.00 0.00 177.00 178.74 3mem h ALA 125 N 2.30 1.26 -0.91 8.56 0.00 -0.87 0.11 119.26 129.70 3mem h ALA 125 Ca -0.48 0.28 0.09 0.00 0.00 0.00 0.00 54.91 54.80 3mem h ALA 125 Cb 1.18 0.45 -0.07 0.00 0.00 0.00 0.00 17.79 19.35 3mem h ALA 125 CO 0.62 -0.55 0.56 0.93 0.00 0.00 0.00 179.25 180.81 3mem h GLU 126 N 0.09 0.93 -0.38 0.00 5.08 -1.94 0.37 114.58 118.74 3mem h GLU 126 Ca 0.59 -0.06 -0.13 0.00 -1.00 0.00 0.00 59.36 58.76 3mem h GLU 126 Cb 1.23 -0.21 -0.01 0.00 0.50 0.00 0.00 28.75 30.26 3mem h GLU 126 CO -0.78 0.62 -0.28 -0.44 -1.00 0.00 0.00 179.01 177.12 3mem h ASP 127 N 0.96 0.90 -0.84 1.42 5.19 -1.10 -2.42 116.42 120.54 3mem h ASP 127 Ca 0.42 -0.44 -0.03 0.00 -0.62 0.00 0.00 57.03 56.37 3mem h ASP 127 Cb 0.31 -0.25 -0.04 0.00 0.18 0.00 0.00 39.33 39.53 3mem h ASP 127 CO -0.22 1.15 0.42 0.15 -3.12 0.00 0.00 179.24 177.62 3mem h PHE 128 N 0.66 1.20 -0.27 4.55 3.57 -1.08 -1.68 116.94 123.89 3mem h PHE 128 Ca 0.07 -0.05 -0.04 0.00 3.53 0.00 0.00 57.97 61.48 3mem h PHE 128 Cb 0.86 -0.37 -0.02 0.00 2.79 0.00 0.00 35.95 39.21 3mem h PHE 128 CO 0.06 0.86 -0.02 0.00 -2.23 0.00 0.00 178.31 176.98 3mem h ARG 129 N 1.20 0.41 -0.26 1.11 3.08 -0.78 -1.68 114.38 117.47 3mem h ARG 129 Ca 0.29 -0.08 -0.13 0.00 0.07 0.00 0.00 59.98 60.14 3mem h ARG 129 Cb 0.10 -0.06 -0.00 0.00 0.08 0.00 0.00 29.97 30.08 3mem h ARG 129 CO -0.04 0.46 -0.33 0.37 -1.07 0.00 0.00 179.97 179.36 3mem h GLN 130 N 0.40 0.68 0.00 0.04 5.75 -0.98 -1.71 115.11 119.29 3mem h GLN 130 Ca 0.09 -0.39 0.00 0.00 -0.15 0.00 0.00 58.65 58.20 3mem h GLN 130 Cb 0.29 0.03 0.00 0.00 1.07 0.00 0.00 27.48 28.87 3mem h GLN 130 CO 0.01 1.00 0.00 -0.07 -2.65 0.00 0.00 178.83 177.12 3mem h LEU 131 N 0.40 0.00 -3.17 -2.39 3.38 -0.86 -2.90 115.31 109.77 3mem h LEU 131 Ca 0.03 0.00 -0.11 0.00 0.09 0.00 0.00 57.88 57.89 3mem h LEU 131 Cb 0.91 0.00 -0.11 0.00 0.09 0.00 0.00 40.66 41.55 3mem h LEU 131 CO 0.08 0.00 -0.61 0.35 0.09 0.00 0.00 178.44 178.35 3mem n THR 132 N -3.00 2.05 0.26 0.22 -2.24 -0.67 -4.61 114.28 106.29 3mem n THR 132 Ca -0.00 -3.20 0.15 0.00 -2.27 0.00 0.00 64.05 58.73 3mem n THR 132 Cb 0.22 -0.25 0.87 0.00 -2.10 0.00 0.00 70.33 69.08 3mem n THR 132 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3mem h ALA 133 N 1.22 1.65 -0.03 6.98 0.00 -1.09 -2.36 119.26 125.62 3mem h ALA 133 Ca 0.04 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.94 3mem h ALA 133 Cb 1.17 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.97 3mem h ALA 133 CO 0.13 -0.10 0.00 1.63 0.00 0.00 0.00 179.25 180.91 3mem n LYS 134 N -3.87 0.48 -2.54 0.00 4.76 -1.26 -4.92 118.16 110.81 3mem n LYS 134 Ca -0.01 -1.12 -0.43 0.00 -2.87 0.00 0.00 58.31 53.87 3mem n LYS 134 Cb 0.16 -1.18 -0.02 0.00 -1.84 0.00 0.00 35.03 32.15 3mem n LYS 134 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 3mem s ALA 135 N -0.80 3.62 0.54 7.82 0.00 -0.89 -4.90 121.76 127.15 3mem s ALA 135 Ca 0.12 0.25 -0.22 0.00 0.00 0.00 0.00 51.96 52.11 3mem s ALA 135 Cb 0.08 -3.61 -0.05 0.00 0.00 0.00 0.00 23.12 19.54 3mem s ALA 135 CO 0.12 -1.22 1.33 0.00 0.00 0.00 0.00 175.76 175.99 3mem s ALA 136 N 3.49 2.81 -0.02 0.00 0.00 -1.21 -4.63 121.76 122.19 3mem s ALA 136 Ca 0.49 1.27 -0.06 0.00 0.00 0.00 0.00 51.96 53.67 3mem s ALA 136 Cb -0.17 -3.54 -0.04 0.00 0.00 0.00 0.00 23.12 19.36 3mem s ALA 136 CO 0.12 -1.29 0.23 1.03 0.00 0.00 0.00 175.76 175.84 3mem s ARG 137 N -2.91 3.53 0.23 0.00 3.00 -1.26 -1.24 118.95 120.30 3mem s ARG 137 Ca 0.71 -0.13 -0.19 0.00 0.00 0.00 0.00 55.73 56.12 3mem s ARG 137 Cb -0.39 -3.11 0.03 0.00 0.00 0.00 0.00 34.95 31.48 3mem s ARG 137 CO 0.45 0.68 0.61 -1.01 0.00 0.00 0.00 175.30 176.03 3mem s HIS 138 N -1.24 -0.13 -0.40 -0.53 3.76 -0.98 -4.96 115.29 110.80 3mem s HIS 138 Ca 0.25 -0.24 -0.12 0.00 -0.15 0.00 0.00 55.06 54.79 3mem s HIS 138 Cb -0.13 0.51 0.04 0.00 1.11 0.00 0.00 32.58 34.11 3mem s HIS 138 CO 0.14 -1.05 0.26 -0.51 -0.85 0.00 0.00 174.74 172.74 3mem s ASP 139 N -2.90 5.87 0.00 1.40 1.01 -1.26 -1.86 116.67 118.93 3mem s ASP 139 Ca 0.11 -1.10 0.00 0.00 0.71 0.00 0.00 52.55 52.27 3mem s ASP 139 Cb -0.03 -2.07 0.00 0.00 1.01 0.00 0.00 42.92 41.83 3mem s ASP 139 CO 0.02 -0.46 0.18 2.22 0.21 0.00 0.00 175.17 177.33 3mem n PHE 140 N 5.05 0.00 -5.27 4.23 1.16 -1.26 -4.68 117.46 116.69 3mem n PHE 140 Ca -0.11 0.00 -0.31 0.00 -1.87 0.00 0.00 57.45 55.16 3mem n PHE 140 Cb 0.45 0.05 -0.16 0.00 -1.61 0.00 0.00 39.48 38.22 3mem n PHE 140 CO 0.00 0.00 0.00 0.00 -1.87 0.00 0.00 176.76 174.89 3mem s ALA 141 N 0.00 2.19 -0.14 1.98 0.00 -1.26 -0.23 121.76 124.30 3mem s ALA 141 Ca 0.00 -1.12 0.00 0.00 0.00 0.00 0.00 51.96 50.84 3mem s ALA 141 Cb 0.00 -0.56 -0.01 0.00 0.00 0.00 0.00 23.12 22.55 3mem s ALA 141 CO 0.00 0.53 -0.15 0.08 0.00 0.00 0.00 175.76 176.23 3mem s VAL 142 N -0.63 2.82 -0.19 0.00 1.01 -1.26 -4.96 120.40 117.20 3mem s VAL 142 Ca 0.10 -0.73 -0.29 0.00 0.00 0.00 0.00 61.98 61.06 3mem s VAL 142 Cb -0.10 -2.18 -0.04 0.00 0.00 0.00 0.00 36.38 34.06 3mem s VAL 142 CO -0.01 0.52 1.80 -0.62 0.00 0.00 0.00 175.10 176.79 3mem s ASP 143 N 0.57 6.17 0.60 3.32 -1.08 -1.26 -4.59 116.67 120.40 3mem s ASP 143 Ca -0.09 1.80 0.31 0.00 -0.52 0.00 0.00 52.55 54.05 3mem s ASP 143 Cb -0.16 -2.53 1.82 0.00 -1.46 0.00 0.00 42.92 40.60 3mem s ASP 143 CO 0.03 -1.40 2.21 0.74 0.52 0.00 0.00 175.17 177.27 3mem h THR 144 N 6.32 0.44 0.00 1.71 2.02 -1.96 -2.85 112.91 118.58 3mem h THR 144 Ca -0.37 0.00 -0.03 0.00 0.77 0.00 0.00 66.41 66.78 3mem h THR 144 Cb 1.18 0.93 -0.00 0.00 -1.74 0.00 0.00 68.15 68.52 3mem h THR 144 CO 0.99 0.00 -0.13 0.00 0.37 0.00 0.00 175.52 176.75 3mem h ALA 145 N 1.90 1.41 -0.01 6.16 0.00 -1.96 -2.20 119.26 124.55 3mem h ALA 145 Ca 0.03 -0.11 0.00 0.00 0.00 0.00 0.00 54.91 54.83 3mem h ALA 145 Cb 0.19 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 17.96 3mem h ALA 145 CO -0.00 0.16 -0.09 0.09 0.00 0.00 0.00 179.25 179.40 3mem n ASN 146 N -3.83 0.79 -4.48 0.00 5.03 -1.08 -4.74 115.26 106.96 3mem n ASN 146 Ca -0.02 -0.94 -0.43 0.00 0.87 0.00 0.00 54.58 54.06 3mem n ASN 146 Cb 0.22 -0.00 -0.06 0.00 -1.02 0.00 0.00 39.78 38.92 3mem n ASN 146 CO 0.00 0.00 0.00 -0.63 -1.83 0.00 0.00 177.26 174.80 3mem s ILE 147 N -2.29 4.78 -1.25 2.41 1.01 -0.83 -4.98 121.20 120.05 3mem s ILE 147 Ca 0.33 -0.18 -0.10 0.00 0.00 0.00 0.00 60.65 60.70 3mem s ILE 147 Cb 0.20 -4.31 0.18 0.00 0.01 0.00 0.00 42.46 38.54 3mem s ILE 147 CO 0.43 -0.79 1.73 -1.20 0.00 0.00 0.00 174.94 175.11 3mem n SER 148 N 6.42 5.23 -4.71 3.58 7.64 -1.26 -4.98 113.62 125.53 3mem n SER 148 Ca -0.04 -3.10 -0.43 0.00 1.01 0.00 0.00 58.87 56.31 3mem n SER 148 Cb 0.46 -1.48 -0.02 0.00 -1.01 0.00 0.00 64.21 62.16 3mem n SER 148 CO 0.00 0.00 0.00 0.52 -3.01 0.00 0.00 175.04 172.55 3mem n VAL 149 N 3.45 0.76 -2.56 0.44 0.31 -1.26 -4.87 118.33 114.60 3mem n VAL 149 Ca 0.38 -0.19 -0.41 0.00 -0.01 0.00 0.00 64.34 64.11 3mem n VAL 149 Cb 0.38 -1.76 -0.03 0.00 -0.91 0.00 0.00 33.84 31.52 3mem n VAL 149 CO 0.00 0.00 0.00 0.21 -1.32 0.00 0.00 176.83 175.72 3mem s ASN 150 N 0.56 6.41 -0.01 4.52 3.84 -1.26 -4.75 114.94 124.24 3mem s ASN 150 Ca 0.68 -1.18 0.22 0.00 0.21 0.00 0.00 52.86 52.79 3mem s ASN 150 Cb -0.57 -2.56 -0.24 0.00 -0.55 0.00 0.00 41.25 37.33 3mem s ASN 150 CO 0.46 -1.60 0.74 0.18 -2.79 0.00 0.00 177.10 174.09 3mem n LEU 151 N 9.00 0.52 -0.25 3.21 4.77 -1.26 -4.64 117.00 128.35 3mem n LEU 151 Ca 0.24 -0.22 0.00 0.00 -0.03 0.00 0.00 56.01 56.00 3mem n LEU 151 Cb 0.50 -0.01 0.00 0.00 -2.33 0.00 0.00 43.42 41.58 3mem n LEU 151 CO 0.67 0.11 0.25 -0.90 -1.33 0.00 0.00 177.39 176.20 3mem n ASP 152 N -1.89 0.00 -3.20 -1.43 5.68 -1.26 -4.82 116.55 109.63 3mem n ASP 152 Ca 0.00 -1.49 -0.23 0.00 -0.50 0.00 0.00 54.79 52.57 3mem n ASP 152 Cb 0.45 -0.10 -0.06 0.00 -1.14 0.00 0.00 41.12 40.27 3mem n ASP 152 CO 0.00 0.00 0.00 -3.20 -1.33 0.00 0.00 177.20 172.67 3mem n ASN 153 N 0.00 1.27 0.18 -1.12 5.15 -1.26 -4.93 115.26 114.55 3mem n ASN 153 Ca 0.00 -2.98 0.17 0.00 -0.60 0.00 0.00 54.58 51.17 3mem n ASN 153 Cb 0.60 -0.63 0.79 0.00 -0.53 0.00 0.00 39.78 40.01 3mem n ASN 153 CO 0.00 0.00 0.00 -0.74 1.40 0.00 0.00 177.26 177.92 3mem h HIS 154 N 3.66 0.00 -0.66 1.20 -0.00 -1.93 -2.14 115.15 115.27 3mem h HIS 154 Ca 0.10 0.00 0.07 0.00 -0.00 0.00 0.00 60.37 60.54 3mem h HIS 154 Cb 0.84 0.00 -0.04 0.00 -0.00 0.00 0.00 27.41 28.21 3mem h HIS 154 CO 0.49 0.00 0.44 0.00 -0.00 0.00 0.00 177.93 178.86 3mem h ALA 155 N 1.77 1.79 -0.00 5.26 0.00 -2.03 -0.14 119.26 125.91 3mem h ALA 155 Ca 0.10 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 55.00 3mem h ALA 155 Cb 0.54 -0.16 0.00 0.00 0.00 0.00 0.00 17.79 18.17 3mem h ALA 155 CO -0.00 0.10 -0.07 0.00 0.00 0.00 0.00 179.25 179.28 3mem n ALA 156 N -2.47 2.54 -0.06 0.00 0.00 -0.81 -4.45 120.51 115.27 3mem n ALA 156 Ca 0.10 -0.15 -0.08 0.00 0.00 0.00 0.00 53.44 53.31 3mem n ALA 156 Cb 0.25 -1.42 -0.01 0.00 0.00 0.00 0.00 19.45 18.27 3mem n ALA 156 CO 0.00 0.00 0.00 -0.44 0.00 0.00 0.00 177.50 177.06 3mem h ASP 157 N 0.05 -0.67 -0.51 0.00 3.32 -1.11 -1.40 116.42 116.11 3mem h ASP 157 Ca 0.00 0.13 0.08 0.00 0.02 0.00 0.00 57.03 57.26 3mem h ASP 157 Cb 0.44 0.33 -0.07 0.00 0.22 0.00 0.00 39.33 40.26 3mem h ASP 157 CO 0.00 -0.24 0.13 -0.09 -1.72 0.00 0.00 179.24 177.31 3mem h ARG 158 N -0.20 0.27 -0.12 3.56 2.43 -1.78 0.07 114.38 118.61 3mem h ARG 158 Ca 0.14 -0.02 -0.15 0.00 -0.81 0.00 0.00 59.98 59.14 3mem h ARG 158 Cb 0.42 -0.06 -0.01 0.00 -0.42 0.00 0.00 29.97 29.90 3mem h ARG 158 CO -0.38 0.18 -0.57 -0.44 -1.51 0.00 0.00 179.97 177.25 3mem h ASP 159 N 0.28 0.44 0.01 -3.80 3.32 -1.80 -1.39 116.42 113.48 3mem h ASP 159 Ca 0.25 -0.24 -0.20 0.00 0.02 0.00 0.00 57.03 56.87 3mem h ASP 159 Cb 0.32 -0.13 0.00 0.00 0.22 0.00 0.00 39.33 39.75 3mem h ASP 159 CO -0.31 0.92 -0.70 1.56 -1.72 0.00 0.00 179.24 178.99 3mem h GLN 160 N 0.30 0.63 -0.06 3.56 4.20 -0.58 -1.56 115.11 121.60 3mem h GLN 160 Ca 0.00 -0.48 -0.01 0.00 0.06 0.00 0.00 58.65 58.22 3mem h GLN 160 Cb 1.09 0.09 -0.00 0.00 0.30 0.00 0.00 27.48 28.96 3mem h GLN 160 CO 0.10 1.10 0.01 -0.07 -0.67 0.00 0.00 178.83 179.30 3mem h LEU 161 N 0.45 0.09 -0.74 1.46 3.38 -0.96 -1.98 115.31 117.02 3mem h LEU 161 Ca -0.03 -0.26 0.08 0.00 0.09 0.00 0.00 57.88 57.77 3mem h LEU 161 Cb 1.29 -0.02 -0.07 0.00 0.09 0.00 0.00 40.66 41.95 3mem h LEU 161 CO 0.14 0.33 0.40 0.45 0.09 0.00 0.00 178.44 179.84 3mem h HIS 162 N -0.15 0.72 -0.76 1.13 3.86 -1.29 -0.65 115.15 117.99 3mem h HIS 162 Ca 0.02 0.03 -0.01 0.00 -1.16 0.00 0.00 60.37 59.24 3mem h HIS 162 Cb 0.27 -0.21 -0.04 0.00 1.06 0.00 0.00 27.41 28.50 3mem h HIS 162 CO 0.01 0.29 0.43 1.03 0.86 0.00 0.00 177.93 180.56 3mem h SER 163 N 0.68 0.94 -0.47 2.45 0.87 -1.19 -0.55 113.55 116.29 3mem h SER 163 Ca 0.35 -0.09 -0.10 0.00 -1.23 0.00 0.00 61.79 60.73 3mem h SER 163 Cb 0.32 -0.24 -0.01 0.00 -0.44 0.00 0.00 62.40 62.03 3mem h SER 163 CO -0.24 0.76 -0.09 0.00 -0.53 0.00 0.00 176.83 176.72 3mem h ALA 164 N 1.23 0.65 -0.38 6.23 0.00 -0.70 -1.69 119.26 124.59 3mem h ALA 164 Ca 0.27 -0.33 -0.02 0.00 0.00 0.00 0.00 54.91 54.83 3mem h ALA 164 Cb 0.01 -0.17 -0.02 0.00 0.00 0.00 0.00 17.79 17.62 3mem h ALA 164 CO -0.05 0.53 0.17 0.82 0.00 0.00 0.00 179.25 180.72 3mem h ILE 165 N 0.74 1.18 -0.80 0.00 2.04 -0.93 0.83 117.51 120.58 3mem h ILE 165 Ca 0.12 -0.55 -0.02 0.00 1.00 0.00 0.00 64.86 65.42 3mem h ILE 165 Cb 0.64 0.84 -0.04 0.00 -0.74 0.00 0.00 36.82 37.51 3mem h ILE 165 CO 0.04 0.20 0.43 0.11 0.00 0.00 0.00 178.15 178.93 3mem h LYS 166 N 0.47 1.12 0.12 2.37 1.57 -0.95 -1.13 116.57 120.14 3mem h LYS 166 Ca 0.13 -0.14 -0.29 0.00 -1.87 0.00 0.00 60.65 58.48 3mem h LYS 166 Cb 0.16 -0.22 -0.00 0.00 0.08 0.00 0.00 32.23 32.25 3mem h LYS 166 CO -0.01 0.83 -1.39 -0.09 -0.57 0.00 0.00 179.45 178.22 3mem h ARG 167 N 1.11 0.25 -0.21 3.15 2.43 -1.15 -3.38 114.38 116.58 3mem h ARG 167 Ca 0.28 -0.43 0.00 0.00 -0.81 0.00 0.00 59.98 59.02 3mem h ARG 167 Cb 0.05 0.16 0.00 0.00 -0.42 0.00 0.00 29.97 29.76 3mem h ARG 167 CO -0.04 1.15 0.00 1.19 -1.51 0.00 0.00 179.97 180.76 3mem n PHE 168 N -3.48 0.27 -4.17 2.20 3.72 0.27 -5.02 117.46 111.26 3mem n PHE 168 Ca -0.12 -0.48 -0.16 0.00 -0.05 0.00 0.00 57.45 56.64 3mem n PHE 168 Cb 1.03 -0.03 -0.07 0.00 -0.94 0.00 0.00 39.48 39.47 3mem n PHE 168 CO 0.00 0.00 0.00 0.95 -0.05 0.00 0.00 176.76 177.66 3mem s THR 169 N -0.98 0.00 -1.18 4.37 -4.23 -0.43 -4.91 115.64 108.28 3mem s THR 169 Ca 0.14 -1.80 0.17 0.00 -1.18 0.00 0.00 61.69 59.02 3mem s THR 169 Cb 0.07 -2.53 0.57 0.00 1.34 0.00 0.00 72.50 71.95 3mem s THR 169 CO 0.10 0.00 1.48 0.61 -0.54 0.00 0.00 174.62 176.27 3mem n GLY 170 N -0.52 2.84 3.75 3.99 0.00 -1.26 -4.73 105.19 109.25 3mem n GLY 170 Ca 0.03 -0.73 -0.41 0.00 0.00 0.00 0.00 46.02 44.92 3mem n GLY 170 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3mem s LEU 171 N -1.50 4.51 0.24 0.99 1.43 -1.26 -5.02 118.68 118.06 3mem s LEU 171 Ca 0.42 2.22 -0.30 0.00 -1.03 0.00 0.00 54.13 55.44 3mem s LEU 171 Cb 0.25 -3.62 -0.09 0.00 0.03 0.00 0.00 46.19 42.77 3mem s LEU 171 CO 0.23 -0.23 1.04 -0.60 0.23 0.00 0.00 176.35 177.02 3mem s ARG 172 N -0.86 4.71 -0.02 1.70 3.52 -1.26 -4.70 118.95 122.03 3mem s ARG 172 Ca 0.48 1.66 -0.30 0.00 -0.13 0.00 0.00 55.73 57.44 3mem s ARG 172 Cb -0.32 -3.25 -0.04 0.00 -1.56 0.00 0.00 34.95 29.79 3mem s ARG 172 CO 0.39 0.30 1.19 0.42 -0.81 0.00 0.00 175.30 176.79 3mem s ILE 173 N -0.95 4.22 0.54 4.11 -1.09 -1.26 -4.67 121.20 122.09 3mem s ILE 173 Ca 0.44 1.56 0.02 0.00 -2.23 0.00 0.00 60.65 60.44 3mem s ILE 173 Cb -0.29 -4.00 0.01 0.00 -1.58 0.00 0.00 42.46 36.60 3mem s ILE 173 CO 0.36 0.03 0.13 -1.10 -1.23 0.00 0.00 174.94 173.13 3mem s GLN 174 N 1.89 2.23 0.05 2.79 -0.21 -1.26 -5.01 119.66 120.15 3mem s GLN 174 Ca 0.57 -2.33 -0.24 0.00 0.02 0.00 0.00 55.36 53.38 3mem s GLN 174 Cb -0.26 -1.69 -0.17 0.00 1.00 0.00 0.00 33.01 31.89 3mem s GLN 174 CO 0.24 -0.49 1.58 0.37 -2.12 0.00 0.00 175.29 174.87 3mem h GLN 175 N 1.11 -0.05 -5.63 2.91 5.75 -1.97 -3.43 115.11 113.79 3mem h GLN 175 Ca -0.42 0.00 -0.65 0.00 -0.15 0.00 0.00 58.65 57.43 3mem h GLN 175 Cb 1.32 0.01 -0.14 0.00 1.07 0.00 0.00 27.48 29.74 3mem h GLN 175 CO 0.68 0.12 -0.57 1.03 -2.65 0.00 0.00 178.83 177.43 3mem s ARG 176 N -5.55 3.45 0.18 1.69 1.81 -1.26 -5.02 118.95 114.24 3mem s ARG 176 Ca -0.14 -0.33 -0.16 0.00 -1.72 0.00 0.00 55.73 53.38 3mem s ARG 176 Cb 0.04 -3.02 0.14 0.00 -0.45 0.00 0.00 34.95 31.66 3mem s ARG 176 CO 0.66 0.55 1.67 1.25 -0.68 0.00 0.00 175.30 178.75 3mem h LEU 177 N 5.72 -0.35 -1.76 2.53 5.85 -1.96 0.10 115.31 125.45 3mem h LEU 177 Ca -0.46 0.13 0.17 0.00 0.84 0.00 0.00 57.88 58.55 3mem h LEU 177 Cb 1.19 0.25 -0.04 0.00 0.37 0.00 0.00 40.66 42.43 3mem h LEU 177 CO 0.61 -0.12 0.49 1.05 -0.34 0.00 0.00 178.44 180.12 3mem h GLU 178 N 0.03 0.23 0.09 1.25 9.09 -1.95 0.94 114.58 124.27 3mem h GLU 178 Ca 0.22 -0.01 -0.21 0.00 0.05 0.00 0.00 59.36 59.41 3mem h GLU 178 Cb 0.33 -0.05 0.02 0.00 -1.65 0.00 0.00 28.75 27.40 3mem h GLU 178 CO -0.44 0.15 -0.88 -0.44 0.05 0.00 0.00 179.01 177.45 3mem h ASP 179 N 0.23 0.62 -0.43 3.06 3.32 -1.14 -0.18 116.42 121.91 3mem h ASP 179 Ca 0.35 -0.85 0.08 0.00 0.02 0.00 0.00 57.03 56.63 3mem h ASP 179 Cb 1.02 -0.19 -0.08 0.00 0.22 0.00 0.00 39.33 40.30 3mem h ASP 179 CO -0.07 1.41 -0.06 0.74 -1.72 0.00 0.00 179.24 179.53 3mem h THR 180 N -0.09 0.61 0.00 0.35 2.02 -0.03 -0.51 112.91 115.27 3mem h THR 180 Ca -0.14 -0.01 0.00 0.00 0.77 0.00 0.00 66.41 67.03 3mem h THR 180 Cb 1.62 0.57 0.00 0.00 -1.74 0.00 0.00 68.15 68.60 3mem h THR 180 CO 0.17 0.01 0.00 0.18 0.37 0.00 0.00 175.52 176.25 3mem n LEU 181 N -5.27 0.00 -3.65 2.58 4.77 0.15 -4.70 117.00 110.88 3mem n LEU 181 Ca 0.03 0.00 -0.24 0.00 -0.03 0.00 0.00 56.01 55.77 3mem n LEU 181 Cb 0.23 0.00 0.07 0.00 -2.33 0.00 0.00 43.42 41.39 3mem n LEU 181 CO 0.16 0.00 0.19 -0.62 -1.33 0.00 0.00 177.39 175.79 3mem n GLU 182 N -0.83 -7.22 -3.23 3.23 1.02 -0.20 -4.96 120.64 108.45 3mem n GLU 182 Ca 0.11 0.78 -0.37 0.00 -0.02 0.00 0.00 57.16 57.65 3mem n GLU 182 Cb 0.05 -5.78 -0.06 0.00 -0.02 0.00 0.00 31.44 25.63 3mem n GLU 182 CO 0.00 0.00 0.00 -0.51 1.18 0.00 0.00 177.13 177.80 3mem s LEU 183 N -7.17 4.46 0.64 -4.62 1.43 -0.10 -5.03 118.68 108.28 3mem s LEU 183 Ca 0.51 1.29 -0.18 0.00 -1.03 0.00 0.00 54.13 54.72 3mem s LEU 183 Cb -0.23 -3.15 -0.02 0.00 0.03 0.00 0.00 46.19 42.81 3mem s LEU 183 CO 0.75 0.18 1.20 -2.65 0.23 0.00 0.00 176.35 176.06 3mem n PRO 184 N 1.31 1.05 -0.76 1.29 -0.02 -1.26 -4.78 135.00 131.83 3mem n PRO 184 Ca -0.07 0.41 -0.30 0.00 -2.02 0.00 0.00 63.50 61.52 3mem n PRO 184 Cb 0.51 -2.43 0.17 0.00 -0.02 0.00 0.00 33.50 31.73 3mem n PRO 184 CO 0.00 0.00 0.00 -1.25 1.98 0.00 0.00 175.50 176.23 3mem s PRO 185 N -3.19 0.78 -0.26 0.52 0.04 -1.26 -4.89 135.00 126.74 3mem s PRO 185 Ca 0.81 1.33 -0.29 0.00 0.04 0.00 0.00 61.00 62.89 3mem s PRO 185 Cb -0.39 -1.72 -0.02 0.00 0.04 0.00 0.00 34.50 32.42 3mem s PRO 185 CO 0.42 -2.72 1.55 -1.17 0.04 0.00 0.00 177.00 175.12 3mem s LEU 186 N -6.63 3.85 0.74 -3.56 2.96 -1.26 -4.97 118.68 109.80 3mem s LEU 186 Ca 0.66 1.47 -0.15 0.00 -0.22 0.00 0.00 54.13 55.89 3mem s LEU 186 Cb -0.22 -3.53 0.04 0.00 0.50 0.00 0.00 46.19 42.98 3mem s LEU 186 CO 0.59 -1.26 1.22 -2.16 -1.32 0.00 0.00 176.35 173.41 3mem s PRO 187 N 4.66 2.05 0.22 0.98 0.04 -1.26 -4.77 135.00 136.92 3mem s PRO 187 Ca 0.68 1.80 -0.07 0.00 0.04 0.00 0.00 61.00 63.45 3mem s PRO 187 Cb -0.22 -1.82 0.35 0.00 0.04 0.00 0.00 34.50 32.85 3mem s PRO 187 CO 0.28 -1.91 1.74 0.93 0.04 0.00 0.00 177.00 178.08 3mem h GLU 188 N -0.36 0.43 -0.85 4.56 3.07 -2.00 -1.96 114.58 117.48 3mem h GLU 188 Ca -0.48 -0.03 0.11 0.00 -0.50 0.00 0.00 59.36 58.46 3mem h GLU 188 Cb 1.30 -0.10 -0.12 0.00 -0.84 0.00 0.00 28.75 28.99 3mem h GLU 188 CO 0.49 0.28 -0.41 2.41 -1.40 0.00 0.00 179.01 180.39 3mem n THR 189 N -4.99 -0.50 -0.12 1.13 -1.04 -1.26 -1.10 114.28 106.40 3mem n THR 189 Ca 0.11 2.01 -0.12 0.00 -2.04 0.00 0.00 64.05 64.02 3mem n THR 189 Cb 0.33 -2.58 -0.03 0.00 -1.82 0.00 0.00 70.33 66.23 3mem n THR 189 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 3mem h ALA 190 N 0.84 0.48 -0.80 2.41 0.00 -1.72 -2.36 119.26 118.11 3mem h ALA 190 Ca 0.22 -0.32 0.10 0.00 0.00 0.00 0.00 54.91 54.91 3mem h ALA 190 Cb 0.44 -0.12 -0.07 0.00 0.00 0.00 0.00 17.79 18.03 3mem h ALA 190 CO -0.82 0.37 0.44 1.96 0.00 0.00 0.00 179.25 181.20 3mem h GLN 191 N 0.48 0.72 -0.44 0.00 4.20 -0.65 0.20 115.11 119.62 3mem h GLN 191 Ca 0.08 -0.04 -0.08 0.00 0.06 0.00 0.00 58.65 58.67 3mem h GLN 191 Cb 0.65 -0.16 -0.01 0.00 0.30 0.00 0.00 27.48 28.25 3mem h GLN 191 CO 0.04 0.47 -0.04 0.00 -0.67 0.00 0.00 178.83 178.64 3mem h ARG 192 N 0.74 0.80 -0.00 1.46 3.08 -1.05 -1.25 114.38 118.15 3mem h ARG 192 Ca 0.39 -0.28 0.02 0.00 0.07 0.00 0.00 59.98 60.18 3mem h ARG 192 Cb 0.38 -0.06 -0.02 0.00 0.08 0.00 0.00 29.97 30.35 3mem h ARG 192 CO -0.26 0.89 -0.10 0.82 -1.07 0.00 0.00 179.97 180.25 3mem h ILE 193 N 0.64 0.74 -0.94 2.04 2.04 -0.69 -0.66 117.51 120.69 3mem h ILE 193 Ca 0.12 0.00 0.16 0.00 1.00 0.00 0.00 64.86 66.14 3mem h ILE 193 Cb 0.55 0.74 -0.10 0.00 -0.74 0.00 0.00 36.82 37.28 3mem h ILE 193 CO 0.03 0.00 0.54 0.40 0.00 0.00 0.00 178.15 179.12 3mem h ILE 194 N -0.17 0.74 0.56 -0.67 2.04 -0.53 0.36 117.51 119.84 3mem h ILE 194 Ca 0.04 -0.25 -0.03 0.00 1.00 0.00 0.00 64.86 65.62 3mem h ILE 194 Cb 0.22 -0.05 0.01 0.00 -0.74 0.00 0.00 36.82 36.25 3mem h ILE 194 CO -0.10 0.13 -0.27 0.45 0.00 0.00 0.00 178.15 178.36 3mem h HIS 195 N 0.73 -0.69 -0.82 1.37 3.86 -0.72 -2.79 115.15 116.10 3mem h HIS 195 Ca 0.52 -0.02 0.17 0.00 -1.16 0.00 0.00 60.37 59.89 3mem h HIS 195 Cb 0.74 0.23 -0.11 0.00 1.06 0.00 0.00 27.41 29.33 3mem h HIS 195 CO -0.04 -0.37 0.34 -0.07 0.86 0.00 0.00 177.93 178.65 3mem h LEU 196 N -1.05 0.30 -0.04 2.43 3.38 -0.54 -1.10 115.31 118.69 3mem h LEU 196 Ca -0.08 0.13 -0.00 0.00 0.09 0.00 0.00 57.88 58.02 3mem h LEU 196 Cb 0.64 0.11 -0.00 0.00 0.09 0.00 0.00 40.66 41.49 3mem h LEU 196 CO 0.13 0.07 0.01 -0.09 0.09 0.00 0.00 178.44 178.64 3mem h ARG 197 N 0.43 0.07 0.00 1.13 9.65 -0.28 -2.53 114.38 122.85 3mem h ARG 197 Ca 0.47 -0.02 -0.06 0.00 -1.10 0.00 0.00 59.98 59.28 3mem h ARG 197 Cb 0.80 -0.01 -0.01 0.00 -1.39 0.00 0.00 29.97 29.36 3mem h ARG 197 CO -0.46 0.30 -0.29 -0.39 2.80 0.00 0.00 179.97 181.93 3mem h VAL 198 N -0.17 0.80 -3.38 0.20 -1.51 -1.43 -3.44 116.25 107.31 3mem h VAL 198 Ca 0.01 -1.19 -0.54 0.00 -1.23 0.00 0.00 66.70 63.76 3mem h VAL 198 Cb 0.26 1.73 -0.02 0.00 -2.13 0.00 0.00 31.29 31.14 3mem h VAL 198 CO 0.00 0.28 0.40 0.21 -1.23 0.00 0.00 177.57 177.23 3mem s ASN 199 N -6.39 7.33 -0.74 4.19 2.47 -0.42 -5.01 114.94 116.37 3mem s ASN 199 Ca -0.01 1.70 0.04 0.00 0.42 0.00 0.00 52.86 55.01 3mem s ASN 199 Cb 0.12 -2.57 0.26 0.00 -1.45 0.00 0.00 41.25 37.61 3mem s ASN 199 CO 0.66 -0.29 0.91 -0.81 -3.72 0.00 0.00 177.10 173.85 3mem n PRO 200 N 3.93 2.95 0.00 0.43 -0.05 -1.26 -4.83 135.00 136.16 3mem n PRO 200 Ca 0.06 -4.65 0.00 0.00 -0.05 0.00 0.00 63.50 58.87 3mem n PRO 200 Cb 0.50 -2.32 0.00 0.00 -0.05 0.00 0.00 33.50 31.64 3mem n PRO 200 CO 0.00 0.00 0.00 -1.71 -0.05 0.00 0.00 175.50 173.74 3mem n ASN 201 N 0.98 4.33 0.00 3.54 5.15 -1.26 -5.15 115.26 122.85 3mem n ASN 201 Ca 0.29 0.00 0.00 0.00 -0.60 0.00 0.00 54.58 54.27 3mem n ASN 201 Cb 0.39 0.20 0.00 0.00 -0.53 0.00 0.00 39.78 39.84 3mem n ASN 201 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 3mem n ALA 202 N -2.28 0.00 -1.00 5.20 0.00 -1.26 -5.26 120.51 115.91 3mem n ALA 202 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 3mem n ALA 202 Cb 0.49 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.94 3mem n ALA 202 CO 0.00 0.00 0.00 1.33 0.00 0.00 0.00 177.50 178.83 3mem n VAL 203 N 0.00 0.00 0.00 0.00 0.24 -1.26 -4.94 118.33 112.37 3mem n VAL 203 Ca 0.00 0.00 0.00 0.00 -2.04 0.00 0.00 64.34 62.30 3mem n VAL 203 Cb 0.00 0.00 0.00 0.00 -1.47 0.00 0.00 33.84 32.37 3mem n VAL 203 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 3mem n GLY 205 N 0.90 0.00 0.23 7.63 0.00 -1.26 -3.68 105.19 109.00 3mem n GLY 205 Ca 0.00 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 45.92 3mem n GLY 205 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 3mem h ASP 206 N 0.00 0.73 -0.34 1.61 3.32 -2.00 -1.70 116.42 118.04 3mem h ASP 206 Ca 0.00 -0.29 -0.07 0.00 0.02 0.00 0.00 57.03 56.69 3mem h ASP 206 Cb 0.00 -0.19 -0.01 0.00 0.22 0.00 0.00 39.33 39.34 3mem h ASP 206 CO 0.00 0.83 -0.08 0.25 -1.72 0.00 0.00 179.24 178.52 3mem h LEU 207 N 0.60 0.66 -0.85 1.55 5.85 -1.96 -2.51 115.31 118.66 3mem h LEU 207 Ca 0.13 -0.36 0.08 0.00 0.84 0.00 0.00 57.88 58.56 3mem h LEU 207 Cb 0.44 -0.18 -0.07 0.00 0.37 0.00 0.00 40.66 41.22 3mem h LEU 207 CO 0.02 0.87 0.51 0.58 -0.34 0.00 0.00 178.44 180.07 3mem h VAL 208 N 0.44 0.98 -0.23 1.05 2.07 -1.89 -1.24 116.25 117.44 3mem h VAL 208 Ca 0.09 -0.31 0.02 0.00 0.82 0.00 0.00 66.70 67.32 3mem h VAL 208 Cb 0.58 0.01 -0.03 0.00 -1.52 0.00 0.00 31.29 30.33 3mem h VAL 208 CO 0.03 0.16 0.07 0.44 0.02 0.00 0.00 177.57 178.30 3mem h ASP 209 N 0.90 0.08 -0.01 0.57 3.32 -1.11 -0.68 116.42 119.49 3mem h ASP 209 Ca 0.39 0.02 0.02 0.00 0.02 0.00 0.00 57.03 57.48 3mem h ASP 209 Cb 0.26 0.02 -0.03 0.00 0.22 0.00 0.00 39.33 39.80 3mem h ASP 209 CO -0.20 0.08 -0.11 0.58 -1.72 0.00 0.00 179.24 177.86 3mem h VAL 210 N 0.18 0.71 -0.75 -1.35 2.07 -1.00 -1.88 116.25 114.23 3mem h VAL 210 Ca 0.10 0.00 -0.00 0.00 0.82 0.00 0.00 66.70 67.62 3mem h VAL 210 Cb 0.07 0.71 -0.04 0.00 -1.52 0.00 0.00 31.29 30.52 3mem h VAL 210 CO -0.11 0.00 0.46 0.58 0.02 0.00 0.00 177.57 178.52 3mem h VAL 211 N -0.19 1.21 0.00 2.57 2.07 -0.90 -1.82 116.25 119.19 3mem h VAL 211 Ca 0.05 -0.44 0.00 0.00 0.82 0.00 0.00 66.70 67.13 3mem h VAL 211 Cb 0.25 0.15 0.00 0.00 -1.52 0.00 0.00 31.29 30.16 3mem h VAL 211 CO -0.12 0.21 0.00 -0.33 0.02 0.00 0.00 177.57 177.35 3mem h GLU 212 N 1.03 0.00 0.01 1.57 5.08 -0.75 -3.02 114.58 118.50 3mem h GLU 212 Ca 0.27 0.00 -0.19 0.00 -1.00 0.00 0.00 59.36 58.44 3mem h GLU 212 Cb -0.05 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.18 3mem h GLU 212 CO -0.05 0.00 -0.89 0.77 -1.00 0.00 0.00 179.01 177.84 3mem h SER 213 N 0.00 0.11 -3.56 1.42 0.02 -0.52 -3.40 113.55 107.62 3mem h SER 213 Ca 0.00 -0.10 -0.74 0.00 -0.84 0.00 0.00 61.79 60.11 3mem h SER 213 Cb 0.53 -0.03 -0.29 0.00 0.14 0.00 0.00 62.40 62.74 3mem h SER 213 CO 0.00 0.94 -0.23 -0.62 -1.14 0.00 0.00 176.83 175.78 3mem s ASP 214 N -6.84 5.97 0.47 3.07 -1.08 -1.15 -4.98 116.67 112.14 3mem s ASP 214 Ca -0.01 -2.28 0.15 0.00 -0.52 0.00 0.00 52.55 49.89 3mem s ASP 214 Cb 0.10 -2.06 1.10 0.00 -1.46 0.00 0.00 42.92 40.60 3mem s ASP 214 CO 0.81 -0.63 2.05 -0.65 0.52 0.00 0.00 175.17 177.28 3mem h PRO 215 N 8.07 0.02 -0.36 4.34 0.11 -1.79 -0.06 132.00 142.34 3mem h PRO 215 Ca -0.10 -0.00 -0.08 0.00 0.11 0.00 0.00 66.00 65.93 3mem h PRO 215 Cb 1.05 -0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.14 3mem h PRO 215 CO 0.83 0.12 -0.07 1.03 -0.21 0.00 0.00 178.00 179.70 3mem h SER 216 N 0.02 0.69 -0.22 -2.05 0.87 -1.93 -0.40 113.55 110.52 3mem h SER 216 Ca 0.00 -0.35 0.01 0.00 -1.23 0.00 0.00 61.79 60.22 3mem h SER 216 Cb 0.19 -0.19 -0.01 0.00 -0.44 0.00 0.00 62.40 61.94 3mem h SER 216 CO 0.01 0.88 0.12 0.25 -0.53 0.00 0.00 176.83 177.56 3mem h LEU 217 N 0.48 0.19 -1.19 2.23 5.85 -1.64 -1.49 115.31 119.74 3mem h LEU 217 Ca 0.09 0.00 0.14 0.00 0.84 0.00 0.00 57.88 58.96 3mem h LEU 217 Cb 0.57 -0.04 -0.08 0.00 0.37 0.00 0.00 40.66 41.49 3mem h LEU 217 CO 0.03 0.14 0.59 0.00 -0.34 0.00 0.00 178.44 178.87 3mem h ALA 218 N 1.10 1.74 0.26 1.25 0.00 -0.96 0.11 119.26 122.75 3mem h ALA 218 Ca 0.08 0.02 -0.01 0.00 0.00 0.00 0.00 54.91 55.00 3mem h ALA 218 Cb 0.00 -0.14 0.00 0.00 0.00 0.00 0.00 17.79 17.65 3mem h ALA 218 CO -0.04 0.01 -0.13 0.00 0.00 0.00 0.00 179.25 179.08 3mem h ALA 219 N 1.59 -0.36 -0.84 0.00 0.00 -0.50 -2.37 119.26 116.78 3mem h ALA 219 Ca 0.47 -0.16 -0.02 0.00 0.00 0.00 0.00 54.91 55.20 3mem h ALA 219 Cb 0.68 0.14 -0.04 0.00 0.00 0.00 0.00 17.79 18.56 3mem h ALA 219 CO -0.24 -0.57 0.45 1.96 0.00 0.00 0.00 179.25 180.85 3mem h GLN 220 N -0.62 1.19 -0.26 0.00 4.20 -0.97 0.38 115.11 119.03 3mem h GLN 220 Ca -0.04 -0.15 -0.00 0.00 0.06 0.00 0.00 58.65 58.53 3mem h GLN 220 Cb 0.44 -0.23 -0.01 0.00 0.30 0.00 0.00 27.48 27.98 3mem h GLN 220 CO 0.06 0.88 0.16 0.28 -0.67 0.00 0.00 178.83 179.54 3mem h VAL 221 N 1.19 1.09 -0.55 -0.54 2.07 -0.99 0.97 116.25 119.49 3mem h VAL 221 Ca 0.30 -0.21 -0.10 0.00 0.82 0.00 0.00 66.70 67.51 3mem h VAL 221 Cb 0.05 0.76 -0.02 0.00 -1.52 0.00 0.00 31.29 30.56 3mem h VAL 221 CO -0.05 0.09 -0.04 0.58 0.02 0.00 0.00 177.57 178.17 3mem h VAL 222 N 0.33 1.27 0.16 2.57 2.07 -1.15 -1.56 116.25 119.94 3mem h VAL 222 Ca 0.09 -1.18 -0.00 0.00 0.82 0.00 0.00 66.70 66.44 3mem h VAL 222 Cb 0.00 0.92 -0.02 0.00 -1.52 0.00 0.00 31.29 30.68 3mem h VAL 222 CO -0.02 0.42 -0.25 -1.28 0.02 0.00 0.00 177.57 176.46 3mem h SER 223 N 0.87 -0.72 -0.99 0.57 0.87 -0.37 -0.98 113.55 112.80 3mem h SER 223 Ca 0.15 0.07 0.17 0.00 -1.23 0.00 0.00 61.79 60.95 3mem h SER 223 Cb 0.59 0.25 -0.17 0.00 -0.44 0.00 0.00 62.40 62.63 3mem h SER 223 CO 0.04 -0.30 -0.33 0.79 -0.53 0.00 0.00 176.83 176.49 3mem n TRP 224 N -3.87 0.16 0.13 2.24 8.01 0.33 -0.11 117.44 124.33 3mem n TRP 224 Ca -0.05 1.22 0.02 0.00 -1.31 0.00 0.00 57.50 57.38 3mem n TRP 224 Cb 0.21 -0.95 0.38 0.00 -2.01 0.00 0.00 31.31 28.95 3mem n TRP 224 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.69 176.68 3mem h ALA 225 N 1.61 1.48 -0.33 6.99 0.00 -1.07 -2.99 119.26 124.95 3mem h ALA 225 Ca 0.40 -0.23 0.00 0.00 0.00 0.00 0.00 54.91 55.08 3mem h ALA 225 Cb 0.64 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.35 3mem h ALA 225 CO -1.00 0.37 0.00 -1.13 0.00 0.00 0.00 179.25 177.49 3mem n SER 226 N -4.25 3.39 -4.26 0.00 3.41 0.84 -4.51 113.62 108.24 3mem n SER 226 Ca -0.01 -1.99 -0.30 0.00 -0.26 0.00 0.00 58.87 56.31 3mem n SER 226 Cb 0.29 -0.21 0.18 0.00 -0.26 0.00 0.00 64.21 64.21 3mem n SER 226 CO 0.00 0.00 0.00 -0.94 -0.16 0.00 0.00 175.04 173.94 3mem s SER 227 N -1.57 2.70 0.22 4.04 1.04 -0.40 -4.70 113.70 115.02 3mem s SER 227 Ca 0.37 0.58 -0.08 0.00 0.48 0.00 0.00 55.95 57.31 3mem s SER 227 Cb 0.22 -0.85 0.17 0.00 0.10 0.00 0.00 66.02 65.67 3mem s SER 227 CO 0.32 -3.02 1.81 -1.28 0.98 0.00 0.00 173.24 172.05 3mem h SER 228 N -1.83 1.08 -0.87 7.02 0.87 -1.92 0.78 113.55 118.69 3mem h SER 228 Ca -0.46 -0.14 0.12 0.00 -1.23 0.00 0.00 61.79 60.08 3mem h SER 228 Cb 1.28 -0.28 -0.08 0.00 -0.44 0.00 0.00 62.40 62.88 3mem h SER 228 CO 0.45 0.91 0.49 0.15 -0.53 0.00 0.00 176.83 178.31 3mem h PHE 229 N 1.17 0.89 -0.07 2.24 3.57 -1.93 -2.46 116.94 120.34 3mem h PHE 229 Ca 0.28 0.03 0.00 0.00 3.53 0.00 0.00 57.97 61.81 3mem h PHE 229 Cb 0.12 -0.27 0.00 0.00 2.79 0.00 0.00 35.95 38.60 3mem h PHE 229 CO 0.01 0.31 0.00 0.66 -2.23 0.00 0.00 178.31 177.07 3mem n TYR 230 N -4.76 0.07 -0.34 0.41 4.01 -1.12 -4.74 117.16 110.68 3mem n TYR 230 Ca 0.16 -0.05 0.37 0.00 -0.16 0.00 0.00 57.90 58.21 3mem n TYR 230 Cb 0.35 -0.00 0.70 0.00 -0.31 0.00 0.00 39.34 40.08 3mem n TYR 230 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 3mem h ALA 231 N 2.99 3.15 0.00 -0.72 0.00 0.11 0.43 119.26 125.22 3mem h ALA 231 Ca 0.00 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.87 3mem h ALA 231 Cb 0.66 0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.54 3mem h ALA 231 CO 0.00 -1.68 0.22 0.00 0.00 0.00 0.00 179.25 177.79 3mem n ALA 232 N -2.63 0.66 0.07 0.00 0.00 -1.26 -1.82 120.51 115.53 3mem n ALA 232 Ca 0.28 0.06 -0.13 0.00 0.00 0.00 0.00 53.44 53.65 3mem n ALA 232 Cb 1.43 -0.74 -0.09 0.00 0.00 0.00 0.00 19.45 20.05 3mem n ALA 232 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3mem h ALA 233 N 1.29 -0.20 0.00 0.00 0.00 -0.46 -3.50 119.26 116.39 3mem h ALA 233 Ca 0.00 -0.18 0.00 0.00 0.00 0.00 0.00 54.91 54.73 3mem h ALA 233 Cb 0.43 0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.30 3mem h ALA 233 CO 0.00 -0.44 0.00 0.41 0.00 0.00 0.00 179.25 179.22 3mem n GLY 234 N -0.22 0.44 3.64 0.00 0.00 -0.75 -4.96 105.19 103.34 3mem n GLY 234 Ca -0.09 -1.80 -0.43 0.00 0.00 0.00 0.00 46.02 43.71 3mem n GLY 234 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 3mem s ARG 235 N 0.00 3.94 -0.43 1.61 1.70 -1.26 -4.93 118.95 119.58 3mem s ARG 235 Ca 0.00 1.89 -0.24 0.00 -0.47 0.00 0.00 55.73 56.91 3mem s ARG 235 Cb 0.00 -4.02 0.02 0.00 -0.57 0.00 0.00 34.95 30.38 3mem s ARG 235 CO 0.00 -1.13 0.86 0.08 -1.08 0.00 0.00 175.30 174.03 3mem s VAL 236 N 4.80 4.58 0.05 4.99 1.01 -1.26 -4.97 120.40 129.59 3mem s VAL 236 Ca 0.73 0.71 -0.13 0.00 0.00 0.00 0.00 61.98 63.28 3mem s VAL 236 Cb -0.29 -4.36 -0.32 0.00 0.00 0.00 0.00 36.38 31.41 3mem s VAL 236 CO 0.29 -0.71 1.06 0.45 0.00 0.00 0.00 175.10 176.19 3mem h HIS 237 N 8.90 0.91 -2.59 5.22 3.86 -1.93 -3.50 115.15 126.02 3mem h HIS 237 Ca -0.24 -0.64 0.03 0.00 -1.16 0.00 0.00 60.37 58.36 3mem h HIS 237 Cb 1.08 -0.05 -0.00 0.00 1.06 0.00 0.00 27.41 29.50 3mem h HIS 237 CO 0.83 1.49 0.29 -1.13 0.86 0.00 0.00 177.93 180.27 3mem n SER 238 N -3.71 -1.58 -0.08 2.45 3.41 -1.26 -5.00 113.62 107.85 3mem n SER 238 Ca -0.14 -2.02 -0.13 0.00 -0.26 0.00 0.00 58.87 56.32 3mem n SER 238 Cb 1.06 2.62 -0.05 0.00 -0.26 0.00 0.00 64.21 67.57 3mem n SER 238 CO 0.00 0.00 0.00 0.58 -0.16 0.00 0.00 175.04 175.46 3mem h VAL 239 N 1.74 1.32 -0.75 -3.33 2.07 -1.95 -2.21 116.25 113.13 3mem h VAL 239 Ca -0.24 -1.38 0.12 0.00 0.82 0.00 0.00 66.70 66.02 3mem h VAL 239 Cb 0.92 1.69 -0.08 0.00 -1.52 0.00 0.00 31.29 32.30 3mem h VAL 239 CO 0.30 0.43 0.36 -0.74 0.02 0.00 0.00 177.57 177.94 3mem h HIS 240 N 0.26 0.63 -0.42 1.57 -0.00 -1.96 -1.78 115.15 113.44 3mem h HIS 240 Ca 0.04 0.03 -0.07 0.00 -0.00 0.00 0.00 60.37 60.37 3mem h HIS 240 Cb 0.77 -0.17 -0.01 0.00 -0.00 0.00 0.00 27.41 28.00 3mem h HIS 240 CO 0.08 0.18 -0.01 0.22 -0.00 0.00 0.00 177.93 178.39 3mem h ASP 241 N 0.57 0.75 -0.65 3.26 3.58 -1.93 -0.73 116.42 121.26 3mem h ASP 241 Ca 0.39 -0.31 0.01 0.00 0.42 0.00 0.00 57.03 57.53 3mem h ASP 241 Cb 0.49 -0.20 -0.03 0.00 1.72 0.00 0.00 39.33 41.31 3mem h ASP 241 CO -0.32 0.88 0.43 0.00 -2.88 0.00 0.00 179.24 177.35 3mem h ALA 242 N 0.89 0.83 0.05 -0.78 0.00 -0.84 -1.98 119.26 117.44 3mem h ALA 242 Ca 0.12 -0.04 -0.00 0.00 0.00 0.00 0.00 54.91 54.98 3mem h ALA 242 Cb 0.50 -0.26 0.00 0.00 0.00 0.00 0.00 17.79 18.04 3mem h ALA 242 CO 0.02 0.24 -0.02 0.28 0.00 0.00 0.00 179.25 179.78 3mem h VAL 243 N 0.87 1.12 0.00 0.00 2.07 -1.23 -0.27 116.25 118.81 3mem h VAL 243 Ca 0.24 -1.63 -0.14 0.00 0.82 0.00 0.00 66.70 65.99 3mem h VAL 243 Cb -0.09 2.03 -0.02 0.00 -1.52 0.00 0.00 31.29 31.69 3mem h VAL 243 CO -0.06 0.35 -0.68 0.77 0.02 0.00 0.00 177.57 177.97 3mem h SER 244 N -0.93 0.00 0.00 0.57 4.64 -1.21 0.18 113.55 116.80 3mem h SER 244 Ca -0.01 0.00 -0.36 0.00 -0.47 0.00 0.00 61.79 60.96 3mem h SER 244 Cb 0.62 0.00 -0.05 0.00 -0.31 0.00 0.00 62.40 62.66 3mem h SER 244 CO 0.01 0.68 -2.20 -1.14 -0.87 0.00 0.00 176.83 173.31 3mem n ARG 245 N -3.60 0.46 -0.08 4.77 0.63 -0.75 -4.73 116.66 113.36 3mem n ARG 245 Ca -0.00 0.19 -0.12 0.00 -0.92 0.00 0.00 57.85 56.99 3mem n ARG 245 Cb 0.70 -1.28 -0.06 0.00 0.45 0.00 0.00 32.46 32.27 3mem n ARG 245 CO 0.00 0.00 0.00 0.28 -2.51 0.00 0.00 177.63 175.40 3mem h VAL 246 N -0.69 0.47 0.00 5.15 2.07 -1.45 -3.44 116.25 118.35 3mem h VAL 246 Ca -0.54 -1.57 -0.07 0.00 0.82 0.00 0.00 66.70 65.35 3mem h VAL 246 Cb 1.50 1.10 -0.01 0.00 -1.52 0.00 0.00 31.29 32.36 3mem h VAL 246 CO -0.30 0.16 -0.76 0.18 0.02 0.00 0.00 177.57 176.87 3mem n LEU 247 N -4.55 1.83 0.00 2.57 4.77 -0.12 -5.04 117.00 116.45 3mem n LEU 247 Ca -0.18 0.57 0.00 0.00 -0.03 0.00 0.00 56.01 56.37 3mem n LEU 247 Cb 0.44 -0.89 0.00 0.00 -2.33 0.00 0.00 43.42 40.64 3mem n LEU 247 CO 0.14 -0.25 0.00 0.61 -1.33 0.00 0.00 177.39 176.56 3mem n GLY 248 N 1.56 3.07 0.42 -0.72 0.00 0.62 -4.75 105.19 105.39 3mem n GLY 248 Ca -0.15 -1.77 -0.16 0.00 0.00 0.00 0.00 46.02 43.94 3mem n GLY 248 CO 0.00 0.00 0.00 -2.75 0.00 0.00 0.00 173.32 170.57 3mem h PHE 249 N 0.00 -1.14 -0.60 1.61 3.57 -1.91 -2.12 116.94 116.35 3mem h PHE 249 Ca 0.00 -0.00 -0.00 0.00 3.53 0.00 0.00 57.97 61.50 3mem h PHE 249 Cb 0.00 0.43 -0.03 0.00 2.79 0.00 0.00 35.95 39.14 3mem h PHE 249 CO 0.00 -0.58 0.36 -0.44 -2.23 0.00 0.00 178.31 175.42 3mem h ASP 250 N -0.91 0.73 -0.08 0.41 3.32 -1.95 -3.12 116.42 114.81 3mem h ASP 250 Ca -0.07 -0.06 0.00 0.00 0.02 0.00 0.00 57.03 56.92 3mem h ASP 250 Cb 0.76 -0.18 -0.01 0.00 0.22 0.00 0.00 39.33 40.12 3mem h ASP 250 CO 0.01 0.58 0.05 0.25 -1.72 0.00 0.00 179.24 178.40 3mem h LEU 251 N 0.82 0.07 -1.91 1.55 5.85 -1.84 -0.01 115.31 119.83 3mem h LEU 251 Ca 0.22 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.94 3mem h LEU 251 Cb -0.02 -0.01 0.00 0.00 0.37 0.00 0.00 40.66 41.00 3mem h LEU 251 CO -0.04 0.06 0.00 0.52 -0.34 0.00 0.00 178.44 178.64 3mem n VAL 252 N -5.04 0.10 0.00 1.05 0.31 -0.80 -0.44 118.33 113.50 3mem n VAL 252 Ca -0.05 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.28 3mem n VAL 252 Cb 0.03 -0.51 0.00 0.00 -0.91 0.00 0.00 33.84 32.45 3mem n VAL 252 CO 0.00 0.00 0.00 0.59 -1.32 0.00 0.00 176.83 176.10 3mem n ASN 254 N 0.90 0.00 -0.27 4.52 3.02 -0.02 -1.35 115.26 122.06 3mem n ASN 254 Ca 0.00 0.00 -0.06 0.00 -0.03 0.00 0.00 54.58 54.49 3mem n ASN 254 Cb 0.05 0.00 0.06 0.00 -0.61 0.00 0.00 39.78 39.28 3mem n ASN 254 CO 0.00 0.00 0.00 -0.07 -2.62 0.00 0.00 177.26 174.57 3mem h LEU 255 N 0.00 1.02 -0.95 3.41 3.38 -0.99 -0.76 115.31 120.41 3mem h LEU 255 Ca 0.00 -0.16 0.00 0.00 0.09 0.00 0.00 57.88 57.81 3mem h LEU 255 Cb 0.00 -0.26 0.00 0.00 0.09 0.00 0.00 40.66 40.49 3mem h LEU 255 CO 0.00 0.90 0.00 0.00 0.09 0.00 0.00 178.44 179.43 3mem n ALA 256 N -2.41 0.81 0.00 1.53 0.00 -0.46 -0.89 120.51 119.09 3mem n ALA 256 Ca 0.06 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.50 3mem n ALA 256 Cb 0.16 -0.79 0.00 0.00 0.00 0.00 0.00 19.45 18.83 3mem n ALA 256 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3mem n GLY 258 N 0.36 0.00 0.25 0.00 0.00 -0.29 -1.53 105.19 103.97 3mem n GLY 258 Ca 0.00 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 45.89 3mem n GLY 258 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 3mem h LEU 259 N 0.00 0.93 -0.03 0.99 3.38 -1.29 -2.92 115.31 116.37 3mem h LEU 259 Ca 0.00 -0.47 -0.00 0.00 0.09 0.00 0.00 57.88 57.50 3mem h LEU 259 Cb 0.00 -0.26 -0.00 0.00 0.09 0.00 0.00 40.66 40.49 3mem h LEU 259 CO 0.00 1.21 0.01 0.00 0.09 0.00 0.00 178.44 179.75 3mem h ALA 260 N 0.75 0.03 0.00 1.53 0.00 -1.54 -2.41 119.26 117.62 3mem h ALA 260 Ca 0.05 -0.06 -0.03 0.00 0.00 0.00 0.00 54.91 54.88 3mem h ALA 260 Cb 0.95 -0.01 -0.00 0.00 0.00 0.00 0.00 17.79 18.73 3mem h ALA 260 CO 0.09 -0.41 -0.14 -0.07 0.00 0.00 0.00 179.25 178.72 3mem h LEU 261 N -0.07 0.00 -0.39 0.00 3.38 -1.82 -3.03 115.31 113.38 3mem h LEU 261 Ca 0.01 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.98 3mem h LEU 261 Cb 0.11 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.86 3mem h LEU 261 CO -0.00 0.14 -0.33 0.61 0.09 0.00 0.00 178.44 178.95 3mem n GLY 262 N -0.86 -0.74 0.24 0.83 0.00 -0.97 -3.88 105.19 99.81 3mem n GLY 262 Ca -0.02 -0.40 0.13 0.00 0.00 0.00 0.00 46.02 45.72 3mem n GLY 262 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 3mem h ARG 263 N 0.95 0.00 0.00 1.61 3.08 -1.32 -2.80 114.38 115.90 3mem h ARG 263 Ca 0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.05 3mem h ARG 263 Cb 0.51 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.56 3mem h ARG 263 CO 0.00 0.13 0.00 0.00 -1.07 0.00 0.00 179.97 179.03 3mem n ALA 264 N -2.17 1.58 -2.57 0.04 0.00 -1.25 -4.85 120.51 111.29 3mem n ALA 264 Ca 0.01 0.00 -0.23 0.00 0.00 0.00 0.00 53.44 53.22 3mem n ALA 264 Cb 0.40 -1.26 -0.13 0.00 0.00 0.00 0.00 19.45 18.46 3mem n ALA 264 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 3mem s LEU 265 N -3.45 2.23 0.71 0.00 1.43 -1.06 -4.65 118.68 113.88 3mem s LEU 265 Ca 0.05 -0.58 -0.11 0.00 -1.03 0.00 0.00 54.13 52.46 3mem s LEU 265 Cb 0.08 -0.81 0.02 0.00 0.03 0.00 0.00 46.19 45.52 3mem s LEU 265 CO 0.27 0.07 1.08 -0.54 0.23 0.00 0.00 176.35 177.46 3mem s LYS 266 N -1.49 2.81 0.25 1.70 1.02 -1.26 -5.03 119.74 117.75 3mem s LYS 266 Ca 0.05 0.66 -0.30 0.00 0.02 0.00 0.00 55.97 56.40 3mem s LYS 266 Cb -0.09 -2.00 -0.09 0.00 -0.52 0.00 0.00 37.83 35.12 3mem s LYS 266 CO 0.03 -1.11 1.31 -1.01 -0.92 0.00 0.00 175.35 173.65 3mem s HIS 267 N -3.21 3.19 0.51 3.18 3.76 -1.26 -4.86 115.29 116.60 3mem s HIS 267 Ca 0.58 1.28 -0.22 0.00 -0.15 0.00 0.00 55.06 56.55 3mem s HIS 267 Cb -0.12 -3.63 -0.07 0.00 1.11 0.00 0.00 32.58 29.87 3mem s HIS 267 CO 0.53 -1.89 1.20 -2.30 -0.85 0.00 0.00 174.74 171.43 3mem n PRO 268 N 1.99 1.52 -0.29 8.40 -0.02 -1.26 -4.91 135.00 140.43 3mem n PRO 268 Ca 0.04 0.56 0.11 0.00 -2.02 0.00 0.00 63.50 62.19 3mem n PRO 268 Cb 0.42 -2.36 0.28 0.00 -0.02 0.00 0.00 33.50 31.82 3mem n PRO 268 CO 0.00 0.00 0.00 1.04 1.98 0.00 0.00 175.50 178.52 3mem n GLN 269 N -0.59 2.55 -3.98 -0.52 1.13 -1.26 -4.94 117.38 109.77 3mem n GLN 269 Ca 0.10 -2.38 -0.11 0.00 -1.94 0.00 0.00 57.00 52.67 3mem n GLN 269 Cb 0.43 -1.53 -0.03 0.00 0.11 0.00 0.00 30.24 29.22 3mem n GLN 269 CO 0.00 0.00 0.00 0.34 -1.44 0.00 0.00 177.06 175.96 3mem s ASP 270 N -1.17 0.24 -0.17 1.08 -1.08 -1.26 -5.10 116.67 109.20 3mem s ASP 270 Ca 0.44 -1.13 -0.28 0.00 -0.52 0.00 0.00 52.55 51.05 3mem s ASP 270 Cb 0.24 0.67 0.10 0.00 -1.46 0.00 0.00 42.92 42.47 3mem s ASP 270 CO 0.31 -1.31 0.85 -2.28 0.52 0.00 0.00 175.17 173.26 3mem s HIS 271 N -3.37 -0.56 -0.33 -5.34 5.65 -1.26 -5.08 115.29 105.00 3mem s HIS 271 Ca 0.23 1.13 -0.29 0.00 0.25 0.00 0.00 55.06 56.38 3mem s HIS 271 Cb -0.02 0.39 0.02 0.00 -1.18 0.00 0.00 32.58 31.79 3mem s HIS 271 CO 0.13 -0.41 1.06 -1.25 -0.65 0.00 0.00 174.74 173.62 3mem s PRO 272 N -0.60 4.02 0.21 2.88 0.05 -1.26 -4.89 135.00 135.41 3mem s PRO 272 Ca -0.03 0.99 -0.32 0.00 0.05 0.00 0.00 61.00 61.68 3mem s PRO 272 Cb -0.02 -3.75 -0.13 0.00 0.05 0.00 0.00 34.50 30.64 3mem s PRO 272 CO 0.03 -0.93 1.52 -3.47 0.05 0.00 0.00 177.00 174.19 3mem n ASP 273 N 6.91 3.07 0.00 6.66 2.03 -1.26 -1.98 116.55 131.98 3mem n ASP 273 Ca 0.11 1.11 0.00 0.00 0.52 0.00 0.00 54.79 56.54 3mem n ASP 273 Cb 0.47 -1.45 0.00 0.00 -0.72 0.00 0.00 41.12 39.42 3mem n ASP 273 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 3mem n GLY 274 N 2.79 1.03 3.87 0.27 0.00 -1.26 -4.82 105.19 107.07 3mem n GLY 274 Ca 0.14 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.82 3mem n GLY 274 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 3mem s TYR 275 N -2.26 3.56 0.78 1.61 1.51 -0.84 -4.82 117.35 116.89 3mem s TYR 275 Ca 0.00 0.74 -0.14 0.00 -1.01 0.00 0.00 57.07 56.65 3mem s TYR 275 Cb 0.00 -2.12 0.05 0.00 -0.11 0.00 0.00 41.96 39.78 3mem s TYR 275 CO 0.00 0.51 1.13 1.33 -1.11 0.00 0.00 175.55 177.40 3mem n VAL 276 N 0.76 2.42 -1.51 0.71 0.24 -0.32 -4.92 118.33 115.72 3mem n VAL 276 Ca -0.07 -0.27 -0.30 0.00 -2.04 0.00 0.00 64.34 61.65 3mem n VAL 276 Cb 0.52 -1.18 0.08 0.00 -1.47 0.00 0.00 33.84 31.79 3mem n VAL 276 CO 0.00 0.00 0.00 1.51 -2.14 0.00 0.00 176.83 176.20 3mem s ASP 277 N -1.93 4.72 0.14 -1.34 -4.77 -1.26 -4.79 116.67 107.44 3mem s ASP 277 Ca 0.74 1.46 -0.27 0.00 -3.30 0.00 0.00 52.55 51.18 3mem s ASP 277 Cb -0.31 -2.24 -0.02 0.00 -1.09 0.00 0.00 42.92 39.26 3mem s ASP 277 CO 0.50 -1.84 1.59 0.22 0.70 0.00 0.00 175.17 176.34 3mem h TYR 278 N -1.00 -1.08 -0.09 2.11 3.20 -2.00 -2.06 116.97 116.05 3mem h TYR 278 Ca -0.46 0.05 -0.05 0.00 3.14 0.00 0.00 58.73 61.41 3mem h TYR 278 Cb 1.25 0.51 -0.01 0.00 1.54 0.00 0.00 36.73 40.01 3mem h TYR 278 CO 0.52 -0.43 -0.17 -1.49 -1.64 0.00 0.00 178.16 174.95 3mem h TRP 279 N -0.40 0.16 -0.28 -3.82 4.06 -1.93 -1.26 115.95 112.47 3mem h TRP 279 Ca 0.11 -0.02 -0.04 0.00 2.06 0.00 0.00 58.89 61.00 3mem h TRP 279 Cb 0.58 -0.04 -0.01 0.00 -1.00 0.00 0.00 29.16 28.69 3mem h TRP 279 CO -0.50 0.32 0.01 1.96 -3.56 0.00 0.00 178.44 176.67 3mem h GLN 280 N 0.14 0.49 -0.87 0.49 4.20 -1.76 -1.14 115.11 116.67 3mem h GLN 280 Ca 0.03 -0.15 0.01 0.00 0.06 0.00 0.00 58.65 58.60 3mem h GLN 280 Cb 0.39 -0.05 -0.04 0.00 0.30 0.00 0.00 27.48 28.08 3mem h GLN 280 CO 0.03 0.64 0.57 0.37 -0.67 0.00 0.00 178.83 179.77 3mem h GLN 281 N 0.29 1.13 -0.16 1.46 4.15 -1.13 -0.96 115.11 119.89 3mem h GLN 281 Ca 0.08 -0.07 -0.03 0.00 0.77 0.00 0.00 58.65 59.41 3mem h GLN 281 Cb 0.41 -0.25 -0.01 0.00 0.21 0.00 0.00 27.48 27.84 3mem h GLN 281 CO 0.01 0.75 -0.00 0.00 -1.93 0.00 0.00 178.83 177.66 3mem h ALA 282 N 1.46 0.22 -0.50 3.38 0.00 -0.96 -2.71 119.26 120.16 3mem h ALA 282 Ca 0.32 -0.20 -0.13 0.00 0.00 0.00 0.00 54.91 54.90 3mem h ALA 282 Cb -0.12 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 17.60 3mem h ALA 282 CO -0.07 -0.07 -0.19 0.82 0.00 0.00 0.00 179.25 179.74 3mem h ILE 283 N 0.03 1.27 0.19 0.00 1.08 -1.05 -0.41 117.51 118.63 3mem h ILE 283 Ca 0.05 -1.35 0.01 0.00 -0.39 0.00 0.00 64.86 63.17 3mem h ILE 283 Cb 0.38 1.09 -0.02 0.00 -3.07 0.00 0.00 36.82 35.20 3mem h ILE 283 CO 0.01 0.47 -0.22 -0.50 -0.69 0.00 0.00 178.15 177.22 3mem h TRP 284 N 0.87 -0.59 -0.24 1.37 -0.00 -1.15 -1.72 115.95 114.48 3mem h TRP 284 Ca 0.12 0.01 -0.09 0.00 -0.00 0.00 0.00 58.89 58.92 3mem h TRP 284 Cb 0.77 0.23 -0.01 0.00 -0.00 0.00 0.00 29.16 30.15 3mem h TRP 284 CO 0.05 -0.33 -0.25 1.96 -0.00 0.00 0.00 178.44 179.88 3mem h GLN 285 N -0.46 0.46 -0.05 0.49 1.08 -1.42 -1.46 115.11 113.74 3mem h GLN 285 Ca 0.01 -0.17 -0.00 0.00 -1.45 0.00 0.00 58.65 57.04 3mem h GLN 285 Cb 0.45 -0.03 -0.00 0.00 -0.05 0.00 0.00 27.48 27.84 3mem h GLN 285 CO -0.07 0.67 0.03 0.00 -0.95 0.00 0.00 178.83 178.51 3mem h ALA 286 N 1.33 0.06 -0.51 3.87 0.00 -0.93 0.63 119.26 123.71 3mem h ALA 286 Ca 0.06 -0.04 -0.08 0.00 0.00 0.00 0.00 54.91 54.85 3mem h ALA 286 Cb 0.65 -0.02 -0.02 0.00 0.00 0.00 0.00 17.79 18.40 3mem h ALA 286 CO 0.05 -0.40 0.00 1.96 0.00 0.00 0.00 179.25 180.86 3mem h GLN 287 N 0.01 0.90 0.18 0.00 1.08 -1.30 -2.09 115.11 113.88 3mem h GLN 287 Ca 0.02 -0.28 0.00 0.00 -1.45 0.00 0.00 58.65 56.94 3mem h GLN 287 Cb 0.06 -0.08 -0.01 0.00 -0.05 0.00 0.00 27.48 27.40 3mem h GLN 287 CO -0.00 0.92 -0.17 1.03 -0.95 0.00 0.00 178.83 179.66 3mem h SER 288 N 0.76 -0.45 -0.89 1.46 0.87 -1.17 -1.36 113.55 112.78 3mem h SER 288 Ca 0.15 0.04 -0.00 0.00 -1.23 0.00 0.00 61.79 60.74 3mem h SER 288 Cb 0.52 0.16 -0.04 0.00 -0.44 0.00 0.00 62.40 62.59 3mem h SER 288 CO 0.03 -0.26 0.54 0.00 -0.53 0.00 0.00 176.83 176.61 3mem h ALA 289 N 0.40 1.13 -0.48 6.23 0.00 -0.82 -0.80 119.26 124.91 3mem h ALA 289 Ca -0.00 -0.09 -0.07 0.00 0.00 0.00 0.00 54.91 54.75 3mem h ALA 289 Cb 0.35 -0.36 -0.02 0.00 0.00 0.00 0.00 17.79 17.76 3mem h ALA 289 CO -0.04 0.58 0.03 0.78 0.00 0.00 0.00 179.25 180.60 3mem h GLY 290 N 1.22 0.84 0.73 0.00 0.00 -1.18 -0.85 103.07 103.83 3mem h GLY 290 Ca 0.32 -0.54 -0.02 0.00 0.00 0.00 0.00 47.33 47.09 3mem h GLY 290 CO -0.06 0.50 -0.02 -2.22 0.00 0.00 0.00 176.54 174.74 3mem h ILE 291 N 0.74 1.28 -0.75 2.60 2.04 -0.71 -2.24 117.51 120.47 3mem h ILE 291 Ca 0.15 -0.94 -0.06 0.00 1.00 0.00 0.00 64.86 65.01 3mem h ILE 291 Cb 0.41 1.68 -0.03 0.00 -0.74 0.00 0.00 36.82 38.13 3mem h ILE 291 CO 0.01 0.27 0.25 -0.07 0.00 0.00 0.00 178.15 178.61 3mem h LEU 292 N -0.09 1.09 0.04 1.44 3.38 -1.01 -2.68 115.31 117.48 3mem h LEU 292 Ca 0.03 -0.20 -0.00 0.00 0.09 0.00 0.00 57.88 57.80 3mem h LEU 292 Cb 0.43 -0.28 0.00 0.00 0.09 0.00 0.00 40.66 40.89 3mem h LEU 292 CO 0.01 1.00 -0.02 0.00 0.09 0.00 0.00 178.44 179.52 3mem h ALA 293 N 1.14 -0.05 0.00 1.53 0.00 -1.15 -3.50 119.26 117.23 3mem h ALA 293 Ca 0.25 -0.04 -0.48 0.00 0.00 0.00 0.00 54.91 54.64 3mem h ALA 293 Cb 0.29 0.02 0.12 0.00 0.00 0.00 0.00 17.79 18.23 3mem h ALA 293 CO -0.01 -0.50 1.27 -1.13 0.00 0.00 0.00 179.25 178.87 3mem n SER 294 N -5.09 0.76 -4.78 0.00 3.41 -0.84 -4.55 113.62 102.53 3mem n SER 294 Ca -0.08 -2.31 -0.33 0.00 -0.26 0.00 0.00 58.87 55.90 3mem n SER 294 Cb 0.07 -0.47 0.04 0.00 -0.26 0.00 0.00 64.21 63.60 3mem n SER 294 CO 0.00 0.00 0.00 -2.16 -0.16 0.00 0.00 175.04 172.72 3mem s PRO 297 N 6.49 2.90 0.15 4.33 0.04 -1.26 -5.10 135.00 142.54 3mem s PRO 297 Ca 0.56 1.30 -0.26 0.00 0.04 0.00 0.00 61.00 62.64 3mem s PRO 297 Cb 0.12 -1.97 0.01 0.00 0.04 0.00 0.00 34.50 32.70 3mem s PRO 297 CO 0.29 -1.16 1.58 0.00 0.04 0.00 0.00 177.00 177.75 3mem h ARG 298 N -0.01 -0.31 0.00 4.56 -0.00 -1.99 -2.04 114.38 114.59 3mem h ARG 298 Ca -0.46 0.02 0.00 0.00 -0.50 0.00 0.00 59.98 59.04 3mem h ARG 298 Cb 1.24 0.07 0.00 0.00 0.00 0.00 0.00 29.97 31.28 3mem h ARG 298 CO 0.55 -0.21 0.00 0.41 0.00 0.00 0.00 179.97 180.72 3mem n GLY 299 N -1.42 -0.44 0.31 0.04 0.00 -1.26 -2.91 105.19 99.51 3mem n GLY 299 Ca -0.01 -0.04 0.00 0.00 0.00 0.00 0.00 46.02 45.98 3mem n GLY 299 CO 0.00 0.00 0.00 -0.18 0.00 0.00 0.00 173.32 173.14 3mem n GLN 300 N -0.72 0.00 -2.97 1.61 7.27 -0.80 -5.10 117.38 116.67 3mem n GLN 300 Ca 0.05 -0.72 -0.41 0.00 0.07 0.00 0.00 57.00 55.99 3mem n GLN 300 Cb 0.02 -0.44 -0.05 0.00 2.41 0.00 0.00 30.24 32.18 3mem n GLN 300 CO 0.00 0.00 0.00 0.50 0.07 0.00 0.00 177.06 177.63 3mem s ARG 301 N 0.00 4.19 0.84 3.69 3.52 -0.98 -4.76 118.95 125.45 3mem s ARG 301 Ca 0.00 0.82 -0.11 0.00 -0.13 0.00 0.00 55.73 56.31 3mem s ARG 301 Cb 0.00 -3.62 0.10 0.00 -1.56 0.00 0.00 34.95 29.86 3mem s ARG 301 CO 0.00 -0.42 1.10 -2.14 -0.81 0.00 0.00 175.30 173.03 3mem s PRO 302 N 2.51 1.72 -0.02 5.12 0.02 -1.26 -4.95 135.00 138.14 3mem s PRO 302 Ca 0.33 1.14 -0.30 0.00 0.02 0.00 0.00 61.00 62.19 3mem s PRO 302 Cb -0.16 -1.84 -0.05 0.00 0.02 0.00 0.00 34.50 32.48 3mem s PRO 302 CO 0.09 -2.01 1.35 -0.51 -0.33 0.00 0.00 177.00 175.59 3mem s LEU 303 N -6.15 4.30 0.19 -5.54 1.43 -1.26 -4.83 118.68 106.83 3mem s LEU 303 Ca 0.63 2.03 -0.12 0.00 -1.03 0.00 0.00 54.13 55.64 3mem s LEU 303 Cb -0.18 -3.56 0.14 0.00 0.03 0.00 0.00 46.19 42.62 3mem s LEU 303 CO 0.57 -0.69 1.83 0.15 0.23 0.00 0.00 176.35 178.44 3mem h PHE 304 N 7.75 0.69 -0.75 0.29 3.04 -1.95 -1.87 116.94 124.15 3mem h PHE 304 Ca -0.37 0.02 0.00 0.00 3.98 0.00 0.00 57.97 61.60 3mem h PHE 304 Cb 1.17 -0.22 -0.04 0.00 2.56 0.00 0.00 35.95 39.42 3mem h PHE 304 CO 0.75 0.39 0.47 0.78 -2.02 0.00 0.00 178.31 178.68 3mem h GLY 305 N 0.72 1.07 1.95 2.40 0.00 -1.97 0.29 103.07 107.52 3mem h GLY 305 Ca 0.24 -0.42 -0.21 0.00 0.00 0.00 0.00 47.33 46.93 3mem h GLY 305 CO -0.10 0.41 -1.00 1.41 0.00 0.00 0.00 176.54 177.26 3mem h LEU 306 N 1.02 0.06 -0.05 3.11 3.38 -1.89 -2.18 115.31 118.76 3mem h LEU 306 Ca 0.27 -0.06 -0.02 0.00 0.09 0.00 0.00 57.88 58.16 3mem h LEU 306 Cb -0.07 -0.02 -0.00 0.00 0.09 0.00 0.00 40.66 40.66 3mem h LEU 306 CO -0.05 1.02 -0.03 0.00 0.09 0.00 0.00 178.44 179.46 3mem h ALA 307 N 0.97 0.07 -0.94 1.53 0.00 -0.67 -0.37 119.26 119.85 3mem h ALA 307 Ca -0.03 -0.25 0.06 0.00 0.00 0.00 0.00 54.91 54.70 3mem h ALA 307 Cb 1.75 -0.02 -0.06 0.00 0.00 0.00 0.00 17.79 19.46 3mem h ALA 307 CO 0.14 -0.16 0.60 -0.92 0.00 0.00 0.00 179.25 178.90 3mem h TYR 308 N -0.30 1.11 -0.22 0.00 5.03 -1.02 -0.92 116.97 120.65 3mem h TYR 308 Ca 0.01 0.03 -0.03 0.00 2.58 0.00 0.00 58.73 61.32 3mem h TYR 308 Cb 0.50 -0.36 -0.01 0.00 1.55 0.00 0.00 36.73 38.41 3mem h TYR 308 CO 0.08 0.58 0.02 1.25 -1.32 0.00 0.00 178.16 178.77 3mem h LEU 309 N 1.10 0.36 -0.64 2.82 5.85 -1.21 0.96 115.31 124.56 3mem h LEU 309 Ca 0.40 -0.28 0.10 0.00 0.84 0.00 0.00 57.88 58.93 3mem h LEU 309 Cb 0.14 -0.10 -0.07 0.00 0.37 0.00 0.00 40.66 41.00 3mem h LEU 309 CO -0.16 0.55 0.26 0.00 -0.34 0.00 0.00 178.44 178.75 3mem h ALA 310 N 0.82 0.84 -0.28 1.25 0.00 -0.80 0.05 119.26 121.15 3mem h ALA 310 Ca 0.06 0.08 -0.01 0.00 0.00 0.00 0.00 54.91 55.04 3mem h ALA 310 Cb 0.36 0.03 -0.01 0.00 0.00 0.00 0.00 17.79 18.17 3mem h ALA 310 CO 0.01 -0.16 0.13 0.78 0.00 0.00 0.00 179.25 180.00 3mem h GLY 311 N 0.45 0.44 1.36 0.00 0.00 -0.63 0.65 103.07 105.33 3mem h GLY 311 Ca 0.32 -0.23 0.00 0.00 0.00 0.00 0.00 47.33 47.42 3mem h GLY 311 CO -0.30 0.21 0.40 -2.00 0.00 0.00 0.00 176.54 174.85 3mem h LEU 312 N 0.31 0.76 -1.68 3.11 5.85 -0.23 -2.78 115.31 120.65 3mem h LEU 312 Ca 0.09 -0.03 0.00 0.00 0.84 0.00 0.00 57.88 58.78 3mem h LEU 312 Cb 0.14 -0.19 0.00 0.00 0.37 0.00 0.00 40.66 40.98 3mem h LEU 312 CO -0.01 0.57 0.00 0.18 -0.34 0.00 0.00 178.44 178.84 3mem n LEU 313 N -4.42 2.60 0.08 2.25 4.77 -0.05 -4.62 117.00 117.61 3mem n LEU 313 Ca 0.06 -0.88 0.18 0.00 -0.03 0.00 0.00 56.01 55.34 3mem n LEU 313 Cb 0.06 -0.01 0.71 0.00 -2.33 0.00 0.00 43.42 41.85 3mem n LEU 313 CO 0.36 0.44 1.16 1.12 -1.33 0.00 0.00 177.39 179.15 3mem h HIS 314 N 4.05 0.00 -0.30 -1.77 2.07 -0.57 -1.88 115.15 116.75 3mem h HIS 314 Ca 0.00 0.00 -0.10 0.00 -2.85 0.00 0.00 60.37 57.42 3mem h HIS 314 Cb 0.86 0.00 -0.06 0.00 2.57 0.00 0.00 27.41 30.78 3mem h HIS 314 CO 0.01 0.00 -0.03 -1.71 -3.07 0.00 0.00 177.93 173.13 3mem n ASN 315 N -4.25 3.08 0.23 3.10 5.15 -1.26 -4.70 115.26 116.60 3mem n ASN 315 Ca 0.06 -3.41 0.08 0.00 -0.60 0.00 0.00 54.58 50.72 3mem n ASN 315 Cb 0.49 -0.59 0.55 0.00 -0.53 0.00 0.00 39.78 39.71 3mem n ASN 315 CO 0.00 0.00 0.00 0.15 1.40 0.00 0.00 177.26 178.81 3mem h PHE 316 N 1.27 0.00 0.00 1.20 3.57 -1.66 -2.20 116.94 119.11 3mem h PHE 316 Ca 0.12 0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.62 3mem h PHE 316 Cb 1.54 0.00 0.00 0.00 2.79 0.00 0.00 35.95 40.28 3mem h PHE 316 CO 0.74 0.22 0.00 0.41 -2.23 0.00 0.00 178.31 177.45 3mem n GLY 317 N -0.58 -1.01 0.18 2.40 0.00 -1.26 -1.95 105.19 102.98 3mem n GLY 317 Ca -0.02 0.09 -0.09 0.00 0.00 0.00 0.00 46.02 45.99 3mem n GLY 317 CO 0.00 0.00 0.00 0.84 0.00 0.00 0.00 173.32 174.16 3mem h HIS 318 N 0.00 0.56 -0.51 1.61 -0.00 -1.68 0.41 115.15 115.54 3mem h HIS 318 Ca 0.00 -0.04 -0.07 0.00 -0.00 0.00 0.00 60.37 60.26 3mem h HIS 318 Cb 0.19 -0.17 -0.02 0.00 -0.00 0.00 0.00 27.41 27.41 3mem h HIS 318 CO 0.00 0.51 0.06 -0.07 -0.00 0.00 0.00 177.93 178.43 3mem h LEU 319 N 0.45 0.82 0.09 0.26 3.38 -1.58 -1.23 115.31 117.50 3mem h LEU 319 Ca 0.12 -0.27 -0.00 0.00 0.09 0.00 0.00 57.88 57.82 3mem h LEU 319 Cb 0.19 -0.22 0.00 0.00 0.09 0.00 0.00 40.66 40.72 3mem h LEU 319 CO -0.01 0.89 -0.04 0.58 0.09 0.00 0.00 178.44 179.94 3mem h VAL 320 N 0.72 1.11 -0.60 1.22 2.07 -1.45 -2.19 116.25 117.14 3mem h VAL 320 Ca 0.15 -0.78 0.05 0.00 0.82 0.00 0.00 66.70 66.95 3mem h VAL 320 Cb 0.43 1.60 -0.05 0.00 -1.52 0.00 0.00 31.29 31.75 3mem h VAL 320 CO 0.01 0.19 0.33 -0.07 0.02 0.00 0.00 177.57 178.05 3mem h LEU 321 N -0.48 0.49 -0.96 2.57 3.38 -0.91 0.24 115.31 119.64 3mem h LEU 321 Ca -0.01 0.03 0.06 0.00 0.09 0.00 0.00 57.88 58.04 3mem h LEU 321 Cb 0.40 -0.07 -0.06 0.00 0.09 0.00 0.00 40.66 41.02 3mem h LEU 321 CO 0.02 0.32 0.62 0.00 0.09 0.00 0.00 178.44 179.49 3mem h ALA 322 N 1.31 1.32 0.10 1.53 0.00 -1.11 0.35 119.26 122.75 3mem h ALA 322 Ca 0.27 -0.02 -0.26 0.00 0.00 0.00 0.00 54.91 54.89 3mem h ALA 322 Cb 0.15 -0.30 -0.00 0.00 0.00 0.00 0.00 17.79 17.64 3mem h ALA 322 CO -0.17 0.42 -1.19 0.37 0.00 0.00 0.00 179.25 178.69 3mem h GLN 323 N 1.14 0.21 0.06 0.00 4.15 -0.77 -3.19 115.11 116.71 3mem h GLN 323 Ca 0.41 -0.36 -0.31 0.00 0.77 0.00 0.00 58.65 59.15 3mem h GLN 323 Cb 0.13 0.13 -0.03 0.00 0.21 0.00 0.00 27.48 27.92 3mem h GLN 323 CO -0.16 1.17 -1.74 0.28 -1.93 0.00 0.00 178.83 176.45 3mem h VAL 324 N 0.06 0.86 -1.73 2.39 2.07 -0.23 -3.40 116.25 116.27 3mem h VAL 324 Ca -0.11 -2.64 -0.52 0.00 0.82 0.00 0.00 66.70 64.26 3mem h VAL 324 Cb 1.92 2.51 -0.41 0.00 -1.52 0.00 0.00 31.29 33.80 3mem h VAL 324 CO 0.19 0.68 -0.91 0.49 0.02 0.00 0.00 177.57 178.04 3mem n PHE 325 N -3.25 2.42 -0.23 1.57 3.72 0.08 -4.89 117.46 116.89 3mem n PHE 325 Ca -0.21 -3.45 0.00 0.00 -0.05 0.00 0.00 57.45 53.75 3mem n PHE 325 Cb 1.05 -0.33 0.08 0.00 -0.94 0.00 0.00 39.48 39.33 3mem n PHE 325 CO 0.00 0.00 0.00 -1.35 -0.05 0.00 0.00 176.76 175.36 3mem h PRO 326 N 2.88 0.01 -0.36 -1.08 0.11 -1.68 0.86 132.00 132.74 3mem h PRO 326 Ca 0.12 -0.00 -0.11 0.00 0.11 0.00 0.00 66.00 66.12 3mem h PRO 326 Cb 0.87 -0.00 -0.01 0.00 0.11 0.00 0.00 31.00 31.96 3mem h PRO 326 CO 0.69 0.01 -0.22 -1.00 -0.21 0.00 0.00 178.00 177.27 3mem h PRO 327 N 0.01 0.69 -0.33 1.05 0.13 -1.94 -1.93 132.00 129.68 3mem h PRO 327 Ca 0.33 -0.27 -0.10 0.00 -0.87 0.00 0.00 66.00 65.09 3mem h PRO 327 Cb 0.51 -0.04 -0.01 0.00 0.13 0.00 0.00 31.00 31.59 3mem h PRO 327 CO -0.68 0.86 -0.22 0.45 -0.23 0.00 0.00 178.00 178.18 3mem h HIS 328 N 0.61 0.71 -0.28 1.56 3.86 -1.68 -2.76 115.15 117.17 3mem h HIS 328 Ca 0.09 -0.15 -0.01 0.00 -1.16 0.00 0.00 60.37 59.14 3mem h HIS 328 Cb 0.70 -0.17 -0.01 0.00 1.06 0.00 0.00 27.41 28.98 3mem h HIS 328 CO 0.03 0.80 0.12 0.35 0.86 0.00 0.00 177.93 180.09 3mem h PHE 329 N 0.56 0.38 -0.18 2.45 3.57 -0.56 -0.06 116.94 123.11 3mem h PHE 329 Ca 0.08 -0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.58 3mem h PHE 329 Cb 0.68 -0.12 -0.01 0.00 2.79 0.00 0.00 35.95 39.28 3mem h PHE 329 CO 0.03 0.30 0.12 0.87 -2.23 0.00 0.00 178.31 177.39 3mem h LYS 330 N 0.39 0.24 -0.82 1.11 1.57 -1.13 0.17 116.57 118.10 3mem h LYS 330 Ca 0.10 -0.01 -0.01 0.00 -1.87 0.00 0.00 60.65 58.86 3mem h LYS 330 Cb 0.07 -0.05 -0.04 0.00 0.08 0.00 0.00 32.23 32.29 3mem h LYS 330 CO -0.01 0.16 0.47 -0.07 -0.57 0.00 0.00 179.45 179.43 3mem h LEU 331 N 0.24 0.99 -0.25 2.94 3.38 -1.00 -1.49 115.31 120.12 3mem h LEU 331 Ca 0.07 -0.07 0.00 0.00 0.09 0.00 0.00 57.88 57.97 3mem h LEU 331 Cb -0.02 -0.25 -0.01 0.00 0.09 0.00 0.00 40.66 40.46 3mem h LEU 331 CO -0.01 0.78 0.16 0.58 0.09 0.00 0.00 178.44 180.04 3mem h VAL 332 N 1.13 1.06 -0.48 1.22 2.07 -0.72 -1.26 116.25 119.27 3mem h VAL 332 Ca 0.29 -0.12 0.02 0.00 0.82 0.00 0.00 66.70 67.71 3mem h VAL 332 Cb -0.01 0.70 -0.03 0.00 -1.52 0.00 0.00 31.29 30.42 3mem h VAL 332 CO -0.05 0.06 0.30 0.00 0.02 0.00 0.00 177.57 177.90 3mem h ARG 334 N 0.60 0.67 -0.27 0.00 2.47 -1.08 -2.24 114.38 114.53 3mem h ARG 334 Ca 0.19 -0.22 -0.17 0.00 -1.26 0.00 0.00 59.98 58.52 3mem h ARG 334 Cb -0.01 -0.06 -0.00 0.00 -1.65 0.00 0.00 29.97 28.25 3mem h ARG 334 CO -0.07 0.78 -0.50 1.03 0.56 0.00 0.00 179.97 181.76 3mem h SER 335 N 0.61 0.83 -0.29 7.04 0.87 -0.85 -2.62 113.55 119.14 3mem h SER 335 Ca 0.10 -0.43 -0.02 0.00 -1.23 0.00 0.00 61.79 60.22 3mem h SER 335 Cb 0.57 -0.24 -0.02 0.00 -0.44 0.00 0.00 62.40 62.28 3mem h SER 335 CO 0.04 1.19 0.12 -0.07 -0.53 0.00 0.00 176.83 177.57 3mem h LEU 336 N 0.59 0.45 -0.25 2.23 3.38 -0.86 0.85 115.31 121.70 3mem h LEU 336 Ca 0.02 -0.05 -0.12 0.00 0.09 0.00 0.00 57.88 57.82 3mem h LEU 336 Cb 1.08 -0.12 -0.00 0.00 0.09 0.00 0.00 40.66 41.71 3mem h LEU 336 CO 0.11 0.43 -0.33 -0.33 0.09 0.00 0.00 178.44 178.41 3mem h GLU 337 N 0.50 0.66 0.00 1.13 5.08 -1.21 -2.86 114.58 117.88 3mem h GLU 337 Ca 0.12 -0.38 -0.15 0.00 -1.00 0.00 0.00 59.36 57.96 3mem h GLU 337 Cb 0.14 0.03 -0.02 0.00 0.50 0.00 0.00 28.75 29.39 3mem h GLU 337 CO -0.01 0.99 -0.80 -0.39 -1.00 0.00 0.00 179.01 177.80 3mem h VAL 338 N 0.37 1.04 -2.25 3.13 -1.51 -1.26 -3.37 116.25 112.41 3mem h VAL 338 Ca 0.03 -2.53 -0.59 0.00 -1.23 0.00 0.00 66.70 62.37 3mem h VAL 338 Cb 0.91 2.49 -0.41 0.00 -2.13 0.00 0.00 31.29 32.14 3mem h VAL 338 CO 0.08 0.60 -0.74 -1.20 -1.23 0.00 0.00 177.57 175.07 3mem n SER 339 N -3.21 2.58 0.00 4.19 7.64 0.27 -4.92 113.62 120.17 3mem n SER 339 Ca -0.01 -3.18 0.08 0.00 1.01 0.00 0.00 58.87 56.77 3mem n SER 339 Cb 0.82 -0.67 0.37 0.00 -1.01 0.00 0.00 64.21 63.72 3mem n SER 339 CO 0.00 0.00 0.00 -0.81 -3.01 0.00 0.00 175.04 171.22 3mem n PRO 340 N 1.20 0.13 -0.40 1.43 -0.04 -1.08 -2.00 135.00 134.25 3mem n PRO 340 Ca 0.27 0.18 0.10 0.00 -0.04 0.00 0.00 63.50 64.00 3mem n PRO 340 Cb 0.44 -1.50 0.30 0.00 -0.04 0.00 0.00 33.50 32.70 3mem n PRO 340 CO 0.00 0.00 0.00 0.72 -0.04 0.00 0.00 175.50 176.18 3mem n HIS 341 N -1.38 1.01 -4.58 0.54 8.25 -1.26 -1.84 115.22 115.96 3mem n HIS 341 Ca 0.06 -0.53 -0.33 0.00 -0.26 0.00 0.00 57.72 56.65 3mem n HIS 341 Cb 0.15 -0.07 -0.13 0.00 1.12 0.00 0.00 29.99 31.06 3mem n HIS 341 CO 0.00 0.00 0.00 0.42 0.64 0.00 0.00 176.34 177.40 3mem s ILE 342 N -1.24 3.52 0.55 1.59 -1.09 -0.85 -4.78 121.20 118.91 3mem s ILE 342 Ca 0.45 -0.50 -0.20 0.00 -2.23 0.00 0.00 60.65 58.18 3mem s ILE 342 Cb 0.25 -2.51 -0.05 0.00 -1.58 0.00 0.00 42.46 38.57 3mem s ILE 342 CO 0.28 0.51 1.16 -0.62 -1.23 0.00 0.00 174.94 175.05 3mem s ASP 343 N 0.26 5.59 0.53 3.58 2.15 -1.26 -4.46 116.67 123.06 3mem s ASP 343 Ca -0.06 2.27 0.22 0.00 0.43 0.00 0.00 52.55 55.42 3mem s ASP 343 Cb -0.15 -2.59 1.37 0.00 -0.30 0.00 0.00 42.92 41.25 3mem s ASP 343 CO 0.04 -1.32 2.06 0.77 -0.17 0.00 0.00 175.17 176.55 3mem h SER 344 N 1.19 0.00 -0.88 -0.34 4.64 -1.95 -2.15 113.55 114.06 3mem h SER 344 Ca -0.50 0.00 0.01 0.00 -0.47 0.00 0.00 61.79 60.83 3mem h SER 344 Cb 1.27 0.00 -0.04 0.00 -0.31 0.00 0.00 62.40 63.32 3mem h SER 344 CO 0.57 0.00 0.58 0.77 -0.87 0.00 0.00 176.83 177.87 3mem h SER 345 N 0.00 1.01 -0.03 4.97 4.64 -1.97 0.81 113.55 122.98 3mem h SER 345 Ca 0.15 -0.03 -0.01 0.00 -0.47 0.00 0.00 61.79 61.43 3mem h SER 345 Cb 0.63 -0.25 -0.00 0.00 -0.31 0.00 0.00 62.40 62.46 3mem h SER 345 CO -0.00 0.74 -0.02 0.58 -0.87 0.00 0.00 176.83 177.26 3mem h VAL 346 N 1.19 1.36 -0.30 0.95 2.07 -1.76 0.04 116.25 119.80 3mem h VAL 346 Ca 0.32 -1.09 -0.01 0.00 0.82 0.00 0.00 66.70 66.74 3mem h VAL 346 Cb -0.13 2.03 -0.01 0.00 -1.52 0.00 0.00 31.29 31.66 3mem h VAL 346 CO -0.07 0.29 0.14 0.40 0.02 0.00 0.00 177.57 178.36 3mem h ILE 347 N -0.37 1.15 -0.52 4.57 2.04 -1.40 -0.78 117.51 122.20 3mem h ILE 347 Ca 0.01 -0.42 -0.06 0.00 1.00 0.00 0.00 64.86 65.38 3mem h ILE 347 Cb 0.48 0.89 -0.02 0.00 -0.74 0.00 0.00 36.82 37.43 3mem h ILE 347 CO 0.01 0.15 0.09 -0.33 0.00 0.00 0.00 178.15 178.06 3mem h GLU 348 N 0.35 0.86 -0.67 2.37 5.08 -0.83 -1.30 114.58 120.44 3mem h GLU 348 Ca 0.10 -0.23 -0.01 0.00 -1.00 0.00 0.00 59.36 58.22 3mem h GLU 348 Cb 0.11 -0.10 -0.03 0.00 0.50 0.00 0.00 28.75 29.23 3mem h GLU 348 CO -0.01 0.84 0.39 1.25 -1.00 0.00 0.00 179.01 180.48 3mem h HIS 349 N 0.74 0.89 -0.88 4.33 2.76 -0.80 0.25 115.15 122.44 3mem h HIS 349 Ca 0.16 -0.01 -0.02 0.00 -2.20 0.00 0.00 60.37 58.30 3mem h HIS 349 Cb 0.40 -0.29 -0.04 0.00 1.55 0.00 0.00 27.41 29.03 3mem h HIS 349 CO 0.03 0.62 0.49 -0.92 -1.30 0.00 0.00 177.93 176.84 3mem h TYR 350 N 0.91 1.20 0.14 5.26 3.20 -0.72 0.12 116.97 127.08 3mem h TYR 350 Ca 0.24 -0.03 -0.21 0.00 3.14 0.00 0.00 58.73 61.87 3mem h TYR 350 Cb 0.00 -0.39 0.02 0.00 1.54 0.00 0.00 36.73 37.90 3mem h TYR 350 CO -0.01 0.83 -0.98 -0.07 -1.64 0.00 0.00 178.16 176.29 3mem h LEU 351 N 1.23 0.48 0.00 2.82 3.38 -1.01 -3.42 115.31 118.78 3mem h LEU 351 Ca 0.31 -0.93 0.00 0.00 0.09 0.00 0.00 57.88 57.35 3mem h LEU 351 Cb 0.02 -0.16 0.00 0.00 0.09 0.00 0.00 40.66 40.61 3mem h LEU 351 CO -0.05 1.46 -0.99 0.18 0.09 0.00 0.00 178.44 179.13 3mem n LEU 352 N -4.06 0.09 -0.22 1.67 4.77 0.84 -5.02 117.00 115.07 3mem n LEU 352 Ca -0.16 -0.15 -0.03 0.00 -0.03 0.00 0.00 56.01 55.64 3mem n LEU 352 Cb 0.86 0.00 -0.01 0.00 -2.33 0.00 0.00 43.42 41.94 3mem n LEU 352 CO 0.48 0.02 -0.03 0.61 -1.33 0.00 0.00 177.39 177.14 3mem n GLY 353 N 1.84 0.57 3.40 -0.72 0.00 0.40 -4.68 105.19 106.01 3mem n GLY 353 Ca -0.00 -0.26 -0.10 0.00 0.00 0.00 0.00 46.02 45.66 3mem n GLY 353 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 3mem s ILE 354 N -1.88 0.04 0.31 -0.61 -4.36 -1.26 -4.87 121.20 108.57 3mem s ILE 354 Ca 0.00 -1.43 0.07 0.00 -0.26 0.00 0.00 60.65 59.03 3mem s ILE 354 Cb 0.00 -2.00 -0.06 0.00 1.25 0.00 0.00 42.46 41.65 3mem s ILE 354 CO 0.00 -0.18 -0.04 0.42 0.24 0.00 0.00 174.94 175.38 3mem s THR 355 N -4.00 1.71 0.47 8.37 -4.23 -1.26 -3.29 115.64 113.41 3mem s THR 355 Ca 0.21 -2.11 0.24 0.00 -1.18 0.00 0.00 61.69 58.84 3mem s THR 355 Cb 0.02 -2.57 0.28 0.00 1.34 0.00 0.00 72.50 71.57 3mem s THR 355 CO 0.04 -0.22 2.10 0.08 -0.54 0.00 0.00 174.62 176.08 3mem h ARG 356 N 2.17 0.00 -0.25 3.99 0.11 -1.92 -2.45 114.38 116.04 3mem h ARG 356 Ca -0.41 0.00 -0.10 0.00 0.10 0.00 0.00 59.98 59.58 3mem h ARG 356 Cb 1.24 0.00 -0.00 0.00 1.11 0.00 0.00 29.97 32.31 3mem h ARG 356 CO 0.69 0.10 -0.22 0.93 0.10 0.00 0.00 179.97 181.57 3mem h GLU 357 N 0.00 0.58 0.28 0.08 3.07 -1.91 -2.29 114.58 114.40 3mem h GLU 357 Ca -0.00 -0.30 -0.01 0.00 -0.50 0.00 0.00 59.36 58.55 3mem h GLU 357 Cb 0.23 0.01 0.00 0.00 -0.84 0.00 0.00 28.75 28.15 3mem h GLU 357 CO 0.01 0.89 -0.14 1.96 -1.40 0.00 0.00 179.01 180.34 3mem h GLN 358 N 0.29 -0.37 -0.46 2.33 4.20 -1.78 -1.50 115.11 117.82 3mem h GLN 358 Ca 0.04 0.03 -0.04 0.00 0.06 0.00 0.00 58.65 58.74 3mem h GLN 358 Cb 0.77 0.08 -0.02 0.00 0.30 0.00 0.00 27.48 28.61 3mem h GLN 358 CO 0.06 -0.13 0.14 0.97 -0.67 0.00 0.00 178.83 179.20 3mem h ILE 359 N -0.55 1.23 -0.36 2.54 2.10 -1.51 -1.31 117.51 119.65 3mem h ILE 359 Ca -0.04 -0.75 -0.00 0.00 1.08 0.00 0.00 64.86 65.15 3mem h ILE 359 Cb 0.41 0.84 -0.02 0.00 -1.09 0.00 0.00 36.82 36.96 3mem h ILE 359 CO 0.06 0.27 0.22 0.00 -1.08 0.00 0.00 178.15 177.62 3mem h ALA 360 N 1.00 0.46 -0.63 0.18 0.00 -1.45 -2.16 119.26 116.65 3mem h ALA 360 Ca 0.15 -0.05 -0.05 0.00 0.00 0.00 0.00 54.91 54.96 3mem h ALA 360 Cb 0.27 -0.14 -0.03 0.00 0.00 0.00 0.00 17.79 17.89 3mem h ALA 360 CO -0.00 -0.05 0.19 0.00 0.00 0.00 0.00 179.25 179.39 3mem h ALA 361 N 1.09 0.83 -0.53 0.00 0.00 -0.82 -2.20 119.26 117.63 3mem h ALA 361 Ca 0.13 -0.21 -0.01 0.00 0.00 0.00 0.00 54.91 54.81 3mem h ALA 361 Cb 0.00 -0.24 -0.02 0.00 0.00 0.00 0.00 17.79 17.52 3mem h ALA 361 CO -0.02 0.51 0.27 0.37 0.00 0.00 0.00 179.25 180.37 3mem h GLN 362 N 0.91 0.75 -1.93 0.00 5.75 -1.13 -1.35 115.11 118.11 3mem h GLN 362 Ca 0.20 -0.10 0.00 0.00 -0.15 0.00 0.00 58.65 58.61 3mem h GLN 362 Cb 0.30 -0.14 0.00 0.00 1.07 0.00 0.00 27.48 28.71 3mem h GLN 362 CO -0.01 0.60 0.00 1.28 -2.65 0.00 0.00 178.83 178.05 3mem n LEU 363 N -4.61 0.23 0.00 -2.39 4.77 -0.82 -1.58 117.00 112.59 3mem n LEU 363 Ca 0.02 -0.11 0.00 0.00 -0.03 0.00 0.00 56.01 55.89 3mem n LEU 363 Cb 0.10 -0.04 0.00 0.00 -2.33 0.00 0.00 43.42 41.15 3mem n LEU 363 CO 0.37 0.04 0.00 1.21 -1.33 0.00 0.00 177.39 177.68 3mem n GLU 365 N 1.02 0.00 0.24 3.23 2.13 -0.51 -1.04 120.64 125.71 3mem n GLU 365 Ca 0.00 0.00 0.07 0.00 0.66 0.00 0.00 57.16 57.89 3mem n GLU 365 Cb 0.04 0.00 0.57 0.00 0.27 0.00 0.00 31.44 32.32 3mem n GLU 365 CO 0.00 0.00 0.00 -0.91 -0.41 0.00 0.00 177.13 175.81 3mem h ASN 366 N 0.00 0.00 0.58 4.31 4.21 -1.56 -1.44 115.58 121.68 3mem h ASN 366 Ca 0.00 0.00 0.00 0.00 1.21 0.00 0.00 56.30 57.51 3mem h ASN 366 Cb 0.00 0.00 0.00 0.00 -1.12 0.00 0.00 38.32 37.20 3mem h ASN 366 CO 0.00 0.13 -0.08 0.79 -1.29 0.00 0.00 177.43 176.98 3mem n TRP 367 N -4.30 0.00 -1.51 1.19 8.01 -0.20 -5.12 117.44 115.51 3mem n TRP 367 Ca -0.03 0.00 -0.01 0.00 -1.31 0.00 0.00 57.50 56.16 3mem n TRP 367 Cb 0.20 -0.29 -0.00 0.00 -2.01 0.00 0.00 31.31 29.21 3mem n TRP 367 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.69 177.09 3mem n GLY 368 N 1.34 -3.20 3.72 6.99 0.00 -0.55 -5.06 105.19 108.44 3mem n GLY 368 Ca 0.12 -0.23 -0.38 0.00 0.00 0.00 0.00 46.02 45.53 3mem n GLY 368 CO 0.00 0.00 0.00 -4.14 0.00 0.00 0.00 173.32 169.18 3mem s PRO 370 N -1.18 4.37 0.39 1.61 0.02 -1.26 -4.97 135.00 133.99 3mem s PRO 370 Ca -0.03 0.60 0.19 0.00 0.02 0.00 0.00 61.00 61.78 3mem s PRO 370 Cb 0.00 -3.44 1.16 0.00 0.02 0.00 0.00 34.50 32.24 3mem s PRO 370 CO 0.07 0.12 1.70 -0.44 -0.33 0.00 0.00 177.00 178.13 3mem h ASP 371 N 6.74 0.44 -0.51 2.53 3.32 -2.00 -0.32 116.42 126.61 3mem h ASP 371 Ca -0.41 0.13 0.10 0.00 0.02 0.00 0.00 57.03 56.87 3mem h ASP 371 Cb 1.18 0.07 -0.10 0.00 0.22 0.00 0.00 39.33 40.71 3mem h ASP 371 CO 0.76 -0.03 -0.17 -0.33 -1.72 0.00 0.00 179.24 177.74 3mem h GLU 372 N 0.32 -0.05 0.06 3.56 3.07 -1.95 0.27 114.58 119.85 3mem h GLU 372 Ca 0.69 0.00 -0.00 0.00 -0.50 0.00 0.00 59.36 59.55 3mem h GLU 372 Cb 1.78 0.01 0.00 0.00 -0.84 0.00 0.00 28.75 29.70 3mem h GLU 372 CO -0.42 -0.03 -0.03 0.28 -1.40 0.00 0.00 179.01 177.41 3mem h VAL 373 N -0.05 1.23 -0.46 3.13 2.07 -1.40 -1.43 116.25 119.34 3mem h VAL 373 Ca 0.24 -1.03 0.07 0.00 0.82 0.00 0.00 66.70 66.80 3mem h VAL 373 Cb 0.42 1.89 -0.06 0.00 -1.52 0.00 0.00 31.29 32.03 3mem h VAL 373 CO -0.55 0.25 0.11 0.74 0.02 0.00 0.00 177.57 178.15 3mem h THR 374 N -0.55 0.77 -0.11 2.57 2.02 -1.15 0.29 112.91 116.76 3mem h THR 374 Ca -0.01 -0.09 -0.21 0.00 0.77 0.00 0.00 66.41 66.87 3mem h THR 374 Cb 0.48 0.50 0.01 0.00 -1.74 0.00 0.00 68.15 67.39 3mem h THR 374 CO 0.01 0.05 -0.80 -0.07 0.37 0.00 0.00 175.52 175.08 3mem h LEU 375 N 0.25 0.76 -0.33 2.58 3.38 -0.54 -1.59 115.31 119.82 3mem h LEU 375 Ca 0.23 -0.51 0.02 0.00 0.09 0.00 0.00 57.88 57.70 3mem h LEU 375 Cb 0.28 -0.23 -0.03 0.00 0.09 0.00 0.00 40.66 40.77 3mem h LEU 375 CO -0.28 1.29 0.16 0.00 0.09 0.00 0.00 178.44 179.71 3mem h ALA 376 N 0.69 0.40 -0.76 1.53 0.00 -0.80 -1.05 119.26 119.26 3mem h ALA 376 Ca -0.05 0.01 -0.02 0.00 0.00 0.00 0.00 54.91 54.85 3mem h ALA 376 Cb 1.41 -0.05 -0.04 0.00 0.00 0.00 0.00 17.79 19.11 3mem h ALA 376 CO 0.15 -0.21 0.39 0.82 0.00 0.00 0.00 179.25 180.40 3mem h ILE 377 N 0.34 1.23 -0.31 0.00 2.04 -0.77 -1.21 117.51 118.84 3mem h ILE 377 Ca 0.14 -0.62 -0.12 0.00 1.00 0.00 0.00 64.86 65.26 3mem h ILE 377 Cb 0.05 0.26 -0.01 0.00 -0.74 0.00 0.00 36.82 36.37 3mem h ILE 377 CO -0.09 0.27 -0.30 -0.09 0.00 0.00 0.00 178.15 177.93 3mem h ARG 378 N 1.05 0.65 -0.23 2.37 9.65 -0.91 -3.29 114.38 123.68 3mem h ARG 378 Ca 0.26 -0.29 0.00 0.00 -1.10 0.00 0.00 59.98 58.86 3mem h ARG 378 Cb 0.07 -0.02 0.00 0.00 -1.39 0.00 0.00 29.97 28.63 3mem h ARG 378 CO -0.04 0.88 0.00 0.66 2.80 0.00 0.00 179.97 184.27 3mem n TYR 379 N -4.08 0.41 0.13 2.20 4.01 -0.43 -4.64 117.16 114.76 3mem n TYR 379 Ca -0.01 -0.59 0.18 0.00 -0.16 0.00 0.00 57.90 57.32 3mem n TYR 379 Cb 0.46 -0.09 0.75 0.00 -0.31 0.00 0.00 39.34 40.16 3mem n TYR 379 CO 0.00 0.00 0.00 -0.56 -0.46 0.00 0.00 176.86 175.84 3mem h GLN 380 N 1.40 0.00 -0.03 -0.72 3.07 -1.29 0.34 115.11 117.88 3mem h GLN 380 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 58.65 58.74 3mem h GLN 380 Cb 0.81 0.00 0.00 0.00 0.08 0.00 0.00 27.48 28.37 3mem h GLN 380 CO 0.04 0.00 0.00 1.63 0.09 0.00 0.00 178.83 180.59 3mem n LYS 381 N -4.06 1.77 -3.79 0.06 4.76 -1.26 -3.89 118.16 111.75 3mem n LYS 381 Ca 0.04 -1.12 -0.35 0.00 -2.87 0.00 0.00 58.31 54.01 3mem n LYS 381 Cb 0.43 -1.47 -0.11 0.00 -1.84 0.00 0.00 35.03 32.03 3mem n LYS 381 CO 0.00 0.00 0.00 1.21 -1.37 0.00 0.00 177.40 177.24 3mem s ASN 382 N -1.97 5.07 0.11 4.39 2.47 0.11 -4.97 114.94 120.15 3mem s ASN 382 Ca 0.36 -2.62 0.14 0.00 0.42 0.00 0.00 52.86 51.17 3mem s ASN 382 Cb 0.21 -1.80 0.65 0.00 -1.45 0.00 0.00 41.25 38.86 3mem s ASN 382 CO 0.33 -0.39 1.45 -0.81 -3.72 0.00 0.00 177.10 173.95 3mem n PRO 383 N 3.77 0.07 0.00 0.43 -0.04 -1.26 -2.12 135.00 135.85 3mem n PRO 383 Ca 0.04 0.41 0.12 0.00 -0.04 0.00 0.00 63.50 64.04 3mem n PRO 383 Cb 0.38 -1.66 0.16 0.00 -0.04 0.00 0.00 33.50 32.34 3mem n PRO 383 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 3mem n ALA 384 N -1.61 2.81 -1.67 0.55 0.00 -1.26 -4.96 120.51 114.37 3mem n ALA 384 Ca 0.02 -0.62 -0.48 0.00 0.00 0.00 0.00 53.44 52.36 3mem n ALA 384 Cb 0.12 -0.89 -0.05 0.00 0.00 0.00 0.00 19.45 18.64 3mem n ALA 384 CO 0.00 0.00 0.00 0.98 0.00 0.00 0.00 177.50 178.48 3mem n TYR 385 N 0.66 2.25 0.36 0.00 9.36 -0.90 -4.86 117.16 124.02 3mem n TYR 385 Ca 0.13 0.17 0.04 0.00 3.32 0.00 0.00 57.90 61.56 3mem n TYR 385 Cb 0.51 -2.59 -0.00 0.00 -0.63 0.00 0.00 39.34 36.63 3mem n TYR 385 CO 0.00 0.00 0.00 -0.25 0.22 0.00 0.00 176.86 176.83 3mem n ASP 386 N 5.07 1.10 -2.15 2.98 8.00 -1.26 -4.83 116.55 125.45 3mem n ASP 386 Ca 0.20 -1.05 -0.00 0.00 0.71 0.00 0.00 54.79 54.65 3mem n ASP 386 Cb 0.28 0.46 0.00 0.00 -0.02 0.00 0.00 41.12 41.84 3mem n ASP 386 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 3mem n GLY 387 N 0.81 -1.51 3.60 0.44 0.00 -1.26 -4.81 105.19 102.46 3mem n GLY 387 Ca 0.03 -1.61 -0.45 0.00 0.00 0.00 0.00 46.02 44.00 3mem n GLY 387 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 3mem n PRO 388 N -1.16 1.45 -2.32 1.61 -0.02 -1.26 -2.29 135.00 131.02 3mem n PRO 388 Ca 0.00 0.51 -0.21 0.00 -2.02 0.00 0.00 63.50 61.78 3mem n PRO 388 Cb 0.00 -1.93 -0.02 0.00 -0.02 0.00 0.00 33.50 31.54 3mem n PRO 388 CO 0.00 0.00 0.00 0.72 1.98 0.00 0.00 175.50 178.20 3mem n HIS 389 N 0.43 -0.90 0.28 6.00 8.25 -1.26 -4.89 115.22 123.14 3mem n HIS 389 Ca 0.10 0.00 0.15 0.00 -0.26 0.00 0.00 57.72 57.71 3mem n HIS 389 Cb 0.32 -3.93 0.83 0.00 1.12 0.00 0.00 29.99 28.33 3mem n HIS 389 CO 0.00 0.00 0.00 -2.95 0.64 0.00 0.00 176.34 174.03 3mem h ASN 390 N 0.00 0.00 -0.80 0.41 7.08 -1.77 -2.52 115.58 117.97 3mem h ASN 390 Ca -0.49 0.00 0.00 0.00 -3.08 0.00 0.00 56.30 52.73 3mem h ASN 390 Cb 1.37 0.00 -0.04 0.00 -2.08 0.00 0.00 38.32 37.57 3mem h ASN 390 CO 0.59 0.07 0.51 1.62 -2.08 0.00 0.00 177.43 178.14 3mem h VAL 391 N 0.00 1.22 -0.44 6.14 3.04 -1.90 0.36 116.25 124.68 3mem h VAL 391 Ca -0.00 -0.44 -0.13 0.00 -1.01 0.00 0.00 66.70 65.12 3mem h VAL 391 Cb 0.23 0.06 -0.01 0.00 -2.01 0.00 0.00 31.29 29.55 3mem h VAL 391 CO 0.01 0.22 -0.25 1.88 -1.01 0.00 0.00 177.57 178.42 3mem h TYR 392 N 1.10 1.05 -0.29 3.17 0.05 -1.79 0.25 116.97 120.51 3mem h TYR 392 Ca 0.29 -0.26 -0.10 0.00 0.05 0.00 0.00 58.73 58.71 3mem h TYR 392 Cb -0.08 -0.24 -0.01 0.00 1.01 0.00 0.00 36.73 37.40 3mem h TYR 392 CO 0.00 1.06 -0.26 0.00 -1.05 0.00 0.00 178.16 177.91 3mem h ALA 393 N 0.93 1.01 -0.07 3.88 0.00 -1.52 -2.71 119.26 120.77 3mem h ALA 393 Ca 0.10 -0.36 -0.20 0.00 0.00 0.00 0.00 54.91 54.45 3mem h ALA 393 Cb 0.81 -0.13 -0.00 0.00 0.00 0.00 0.00 17.79 18.47 3mem h ALA 393 CO 0.07 0.59 -0.78 -0.09 0.00 0.00 0.00 179.25 179.04 3mem h ARG 394 N 0.50 0.44 -0.63 0.00 9.65 -0.38 -2.47 114.38 121.49 3mem h ARG 394 Ca 0.07 -0.38 0.04 0.00 -1.10 0.00 0.00 59.98 58.61 3mem h ARG 394 Cb 0.71 0.09 -0.05 0.00 -1.39 0.00 0.00 29.97 29.33 3mem h ARG 394 CO 0.05 1.02 0.37 -0.07 2.80 0.00 0.00 179.97 184.15 3mem h LEU 395 N 0.29 0.58 -0.33 3.80 3.38 -0.35 0.26 115.31 122.93 3mem h LEU 395 Ca -0.04 0.02 -0.00 0.00 0.09 0.00 0.00 57.88 57.94 3mem h LEU 395 Cb 1.37 -0.10 -0.02 0.00 0.09 0.00 0.00 40.66 42.01 3mem h LEU 395 CO 0.14 0.39 0.20 -0.07 0.09 0.00 0.00 178.44 179.19 3mem h LEU 396 N 0.71 0.39 -0.14 1.67 3.38 -1.42 -0.56 115.31 119.34 3mem h LEU 396 Ca 0.27 -0.05 -0.00 0.00 0.09 0.00 0.00 57.88 58.19 3mem h LEU 396 Cb 0.10 -0.10 -0.01 0.00 0.09 0.00 0.00 40.66 40.74 3mem h LEU 396 CO -0.14 0.33 0.08 -0.25 0.09 0.00 0.00 178.44 178.55 3mem h TRP 397 N 0.42 0.18 -0.33 1.13 7.01 -1.07 -0.73 115.95 122.57 3mem h TRP 397 Ca 0.12 -0.00 -0.01 0.00 2.11 0.00 0.00 58.89 61.11 3mem h TRP 397 Cb 0.00 -0.06 -0.02 0.00 -2.10 0.00 0.00 29.16 26.99 3mem h TRP 397 CO -0.04 0.16 0.17 1.25 -2.79 0.00 0.00 178.44 177.18 3mem h LEU 398 N 0.15 0.42 -0.64 0.65 5.85 -0.90 -2.38 115.31 118.45 3mem h LEU 398 Ca 0.05 -0.11 0.09 0.00 0.84 0.00 0.00 57.88 58.75 3mem h LEU 398 Cb 0.03 -0.11 -0.07 0.00 0.37 0.00 0.00 40.66 40.88 3mem h LEU 398 CO -0.01 0.40 0.28 1.23 -0.34 0.00 0.00 178.44 180.00 3mem h GLY 399 N 0.40 0.93 0.85 3.75 0.00 -0.76 -1.29 103.07 106.95 3mem h GLY 399 Ca 0.11 -0.16 0.04 0.00 0.00 0.00 0.00 47.33 47.32 3mem h GLY 399 CO -0.02 0.02 0.65 -0.09 0.00 0.00 0.00 176.54 177.10 3mem h ARG 400 N 0.49 1.21 0.09 4.80 9.65 -0.80 -0.43 114.38 129.39 3mem h ARG 400 Ca 0.32 -0.07 -0.26 0.00 -1.10 0.00 0.00 59.98 58.86 3mem h ARG 400 Cb 0.36 -0.27 0.03 0.00 -1.39 0.00 0.00 29.97 28.70 3mem h ARG 400 CO -0.28 0.80 -1.09 1.96 2.80 0.00 0.00 179.97 184.16 3mem h GLN 401 N 1.25 0.57 -0.54 0.20 1.08 -0.83 -2.15 115.11 114.68 3mem h GLN 401 Ca 0.41 -0.74 -0.11 0.00 -1.45 0.00 0.00 58.65 56.75 3mem h GLN 401 Cb 0.04 0.24 -0.02 0.00 -0.05 0.00 0.00 27.48 27.69 3mem h GLN 401 CO -0.14 1.33 -0.11 -0.07 -0.95 0.00 0.00 178.83 178.89 3mem h LEU 402 N 0.17 1.02 -0.20 1.46 3.38 -1.11 -2.15 115.31 117.88 3mem h LEU 402 Ca -0.16 -0.34 -0.12 0.00 0.09 0.00 0.00 57.88 57.35 3mem h LEU 402 Cb 1.78 -0.28 -0.00 0.00 0.09 0.00 0.00 40.66 42.25 3mem h LEU 402 CO 0.21 1.13 -0.34 -0.07 0.09 0.00 0.00 178.44 179.46 3mem h LEU 403 N 0.91 0.63 -1.04 1.67 3.38 -1.09 -3.17 115.31 116.59 3mem h LEU 403 Ca 0.14 -0.53 -0.09 0.00 0.09 0.00 0.00 57.88 57.48 3mem h LEU 403 Cb 0.67 -0.18 -0.01 0.00 0.09 0.00 0.00 40.66 41.23 3mem h LEU 403 CO 0.05 1.05 -0.36 0.71 0.09 0.00 0.00 178.44 179.98 3mem h THR 404 N 0.24 1.28 0.00 0.22 1.35 -1.38 -2.22 112.91 112.41 3mem h THR 404 Ca 0.01 -1.38 0.00 0.00 -0.55 0.00 0.00 66.41 64.50 3mem h THR 404 Cb 0.93 1.60 0.00 0.00 -1.73 0.00 0.00 68.15 68.95 3mem h THR 404 CO 0.08 0.41 0.00 1.05 -0.25 0.00 0.00 175.52 176.81 3mem h GLU 405 N 0.19 0.00 -0.67 4.72 4.11 -1.42 -2.14 114.58 119.38 3mem h GLU 405 Ca 0.02 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.45 3mem h GLU 405 Cb 0.73 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.98 3mem h GLU 405 CO 0.05 0.00 0.00 0.54 0.07 0.00 0.00 179.01 179.67 3mem n ARG 406 N -2.56 3.01 -0.70 1.06 1.74 -0.89 -4.96 116.66 113.35 3mem n ARG 406 Ca 0.02 -2.54 0.00 0.00 -0.77 0.00 0.00 57.85 54.56 3mem n ARG 406 Cb 0.31 -1.67 0.00 0.00 -1.02 0.00 0.00 32.46 30.08 3mem n ARG 406 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 3mem n GLY 407 N 1.37 0.75 3.71 -0.13 0.00 -0.80 -5.03 105.19 105.05 3mem n GLY 407 Ca 0.23 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.83 3mem n GLY 407 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3mem s VAL 408 N -2.71 2.74 -1.38 1.61 1.01 -0.89 -4.88 120.40 115.90 3mem s VAL 408 Ca 0.00 0.48 -0.09 0.00 0.00 0.00 0.00 61.98 62.37 3mem s VAL 408 Cb 0.00 -3.30 0.09 0.00 0.00 0.00 0.00 36.38 33.17 3mem s VAL 408 CO 0.00 0.03 2.26 0.00 0.00 0.00 0.00 175.10 177.39 3mem n ALA 409 N 4.30 6.20 0.83 5.51 0.00 -1.26 -4.26 120.51 131.83 3mem n ALA 409 Ca 0.14 -4.05 0.12 0.00 0.00 0.00 0.00 53.44 49.65 3mem n ALA 409 Cb 0.39 -3.07 0.15 0.00 0.00 0.00 0.00 19.45 16.92 3mem n ALA 409 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 3mem n LEU 410 N 3.51 0.61 0.00 0.00 4.77 -1.26 -1.17 117.00 123.46 3mem n LEU 410 Ca 0.55 -0.02 0.00 0.00 -0.03 0.00 0.00 56.01 56.51 3mem n LEU 410 Cb 0.31 -0.18 0.00 0.00 -2.33 0.00 0.00 43.42 41.22 3mem n LEU 410 CO 0.80 0.09 0.00 0.61 -1.33 0.00 0.00 177.39 177.56 3mem n GLY 411 N 1.44 -0.44 3.55 -0.72 0.00 -1.26 -5.00 105.19 102.76 3mem n GLY 411 Ca 0.04 -2.11 -0.42 0.00 0.00 0.00 0.00 46.02 43.53 3mem n GLY 411 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3mem n ALA 412 N -0.53 -0.49 -2.91 4.61 0.00 -0.77 -4.89 120.51 115.54 3mem n ALA 412 Ca 0.00 0.22 -0.10 0.00 0.00 0.00 0.00 53.44 53.55 3mem n ALA 412 Cb 0.00 -1.96 -0.06 0.00 0.00 0.00 0.00 19.45 17.43 3mem n ALA 412 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.50 177.70 3mem s GLY 413 N -0.82 -0.17 0.26 0.00 0.00 -1.26 -4.89 107.32 100.43 3mem s GLY 413 Ca 0.63 -0.15 0.01 0.00 0.00 0.00 0.00 44.72 45.21 3mem s GLY 413 CO 0.57 -0.39 0.03 1.18 0.00 0.00 0.00 173.10 174.49 3mem n GLU 414 N -0.05 1.11 -2.83 2.90 1.02 -1.26 -5.01 120.64 116.52 3mem n GLU 414 Ca -0.16 -1.97 -0.40 0.00 -0.02 0.00 0.00 57.16 54.61 3mem n GLU 414 Cb 0.63 0.72 -0.06 0.00 -0.02 0.00 0.00 31.44 32.71 3mem n GLU 414 CO 0.00 0.00 0.00 0.45 1.18 0.00 0.00 177.13 178.76 3mem s SER 415 N -2.46 7.51 -0.30 1.62 0.15 -1.26 -4.80 113.70 114.16 3mem s SER 415 Ca 0.04 1.80 -0.29 0.00 0.70 0.00 0.00 55.95 58.20 3mem s SER 415 Cb 0.00 -2.56 0.01 0.00 -1.71 0.00 0.00 66.02 61.75 3mem s SER 415 CO 0.03 0.12 1.24 0.00 1.20 0.00 0.00 173.24 175.83 3mem s ALA 416 N -0.87 3.41 0.58 5.45 0.00 -1.26 -5.00 121.76 124.06 3mem s ALA 416 Ca 0.40 0.07 -0.15 0.00 0.00 0.00 0.00 51.96 52.28 3mem s ALA 416 Cb -0.24 -3.74 -0.05 0.00 0.00 0.00 0.00 23.12 19.08 3mem s ALA 416 CO 0.29 -1.68 1.02 -0.08 0.00 0.00 0.00 175.76 175.32 3mem s THR 417 N 4.14 4.30 0.43 0.00 -1.32 -1.26 -4.96 115.64 116.98 3mem s THR 417 Ca 0.53 0.99 0.11 0.00 -1.21 0.00 0.00 61.69 62.10 3mem s THR 417 Cb -0.16 -3.61 0.29 0.00 -1.51 0.00 0.00 72.50 67.51 3mem s THR 417 CO 0.21 -0.74 2.05 -0.61 -2.21 0.00 0.00 174.62 173.31 3mem h GLN 418 N 0.36 0.41 -0.76 7.08 5.75 -2.01 -2.49 115.11 123.45 3mem h GLN 418 Ca -0.46 -0.02 0.13 0.00 -0.15 0.00 0.00 58.65 58.15 3mem h GLN 418 Cb 1.20 -0.09 -0.09 0.00 1.07 0.00 0.00 27.48 29.57 3mem h GLN 418 CO 0.60 0.27 0.34 0.00 -2.65 0.00 0.00 178.83 177.39 3mem h ALA 419 N 1.77 1.08 -0.44 3.38 0.00 -1.99 -0.92 119.26 122.14 3mem h ALA 419 Ca 0.17 0.09 -0.08 0.00 0.00 0.00 0.00 54.91 55.09 3mem h ALA 419 Cb 0.13 0.04 -0.01 0.00 0.00 0.00 0.00 17.79 17.94 3mem h ALA 419 CO -0.04 -0.15 -0.04 0.28 0.00 0.00 0.00 179.25 179.30 3mem h VAL 420 N 0.52 1.27 -0.73 0.00 2.07 -1.83 -1.17 116.25 116.36 3mem h VAL 420 Ca 0.41 -1.11 -0.06 0.00 0.82 0.00 0.00 66.70 66.76 3mem h VAL 420 Cb 0.57 1.10 -0.03 0.00 -1.52 0.00 0.00 31.29 31.41 3mem h VAL 420 CO -0.36 0.38 0.24 1.88 0.02 0.00 0.00 177.57 179.72 3mem h TYR 421 N 0.63 1.17 -0.48 1.57 0.05 -1.43 -1.00 116.97 117.49 3mem h TYR 421 Ca 0.12 -0.11 -0.07 0.00 0.05 0.00 0.00 58.73 58.72 3mem h TYR 421 Cb 0.55 -0.34 -0.02 0.00 1.01 0.00 0.00 36.73 37.93 3mem h TYR 421 CO 0.04 0.92 0.04 -0.44 -1.05 0.00 0.00 178.16 177.67 3mem h ASP 422 N 1.09 0.80 -0.58 3.88 3.32 -1.05 -0.41 116.42 123.47 3mem h ASP 422 Ca 0.24 -0.28 0.00 0.00 0.02 0.00 0.00 57.03 57.00 3mem h ASP 422 Cb 0.29 -0.21 -0.03 0.00 0.22 0.00 0.00 39.33 39.60 3mem h ASP 422 CO -0.01 0.88 0.37 -0.08 -1.72 0.00 0.00 179.24 178.68 3mem h GLU 423 N 0.68 0.78 -0.14 3.56 4.81 -0.94 -2.53 114.58 120.81 3mem h GLU 423 Ca 0.14 -0.06 0.00 0.00 -0.13 0.00 0.00 59.36 59.31 3mem h GLU 423 Cb 0.45 -0.17 0.00 0.00 0.63 0.00 0.00 28.75 29.66 3mem h GLU 423 CO 0.02 0.54 0.00 1.28 -0.73 0.00 0.00 179.01 180.12 3mem n LEU 424 N -4.66 1.24 -3.05 1.64 4.77 -0.40 -4.92 117.00 111.63 3mem n LEU 424 Ca 0.04 -0.53 -0.23 0.00 -0.03 0.00 0.00 56.01 55.26 3mem n LEU 424 Cb 0.04 -0.09 0.03 0.00 -2.33 0.00 0.00 43.42 41.07 3mem n LEU 424 CO 0.36 0.27 -0.00 0.61 -1.33 0.00 0.00 177.39 177.29 3mem n GLY 425 N 1.02 -0.52 3.73 -0.72 0.00 -0.76 -4.56 105.19 103.38 3mem n GLY 425 Ca 0.15 0.13 -0.33 0.00 0.00 0.00 0.00 46.02 45.96 3mem n GLY 425 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3mem s LEU 426 N -6.68 3.72 -0.12 0.99 1.43 -0.24 -4.40 118.68 113.38 3mem s LEU 426 Ca 0.31 0.10 -0.24 0.00 -1.03 0.00 0.00 54.13 53.28 3mem s LEU 426 Cb -0.14 -2.09 -0.03 0.00 0.03 0.00 0.00 46.19 43.97 3mem s LEU 426 CO 0.39 0.30 0.75 -0.62 0.23 0.00 0.00 176.35 177.39 3mem s ASP 427 N -1.48 6.94 0.11 2.29 2.15 -1.26 -4.49 116.67 120.93 3mem s ASP 427 Ca 0.20 1.15 -0.21 0.00 0.43 0.00 0.00 52.55 54.11 3mem s ASP 427 Cb -0.12 -2.42 -0.10 0.00 -0.30 0.00 0.00 42.92 39.98 3mem s ASP 427 CO 0.10 -0.25 1.76 -0.09 -0.17 0.00 0.00 175.17 176.53 3mem h ARG 428 N 7.07 0.16 -0.60 4.34 2.43 -1.99 -1.69 114.38 124.11 3mem h ARG 428 Ca -0.35 -0.01 0.01 0.00 -0.81 0.00 0.00 59.98 58.81 3mem h ARG 428 Cb 1.17 -0.04 -0.03 0.00 -0.42 0.00 0.00 29.97 30.65 3mem h ARG 428 CO 0.79 0.11 0.40 0.93 -1.51 0.00 0.00 179.97 180.68 3mem h GLU 429 N 0.17 0.78 -0.34 0.20 5.08 -1.99 -0.03 114.58 118.45 3mem h GLU 429 Ca 0.05 -0.05 -0.01 0.00 -1.00 0.00 0.00 59.36 58.35 3mem h GLU 429 Cb -0.01 -0.18 -0.02 0.00 0.50 0.00 0.00 28.75 29.04 3mem h GLU 429 CO -0.02 0.52 0.17 -0.07 -1.00 0.00 0.00 179.01 178.61 3mem h LEU 430 N 0.81 0.45 -0.83 1.33 3.38 -1.96 -1.01 115.31 117.47 3mem h LEU 430 Ca 0.22 -0.12 0.01 0.00 0.09 0.00 0.00 57.88 58.08 3mem h LEU 430 Cb -0.09 -0.11 -0.04 0.00 0.09 0.00 0.00 40.66 40.50 3mem h LEU 430 CO -0.05 0.44 0.55 0.58 0.09 0.00 0.00 178.44 180.05 3mem h VAL 431 N 0.42 1.21 -0.83 1.22 2.07 -0.91 -1.92 116.25 117.52 3mem h VAL 431 Ca 0.12 -0.39 -0.01 0.00 0.82 0.00 0.00 66.70 67.24 3mem h VAL 431 Cb 0.11 -0.01 -0.04 0.00 -1.52 0.00 0.00 31.29 29.83 3mem h VAL 431 CO -0.02 0.21 0.48 1.56 0.02 0.00 0.00 177.57 179.83 3mem h GLN 432 N 1.13 1.13 -0.18 1.57 4.20 -0.55 -0.23 115.11 122.18 3mem h GLN 432 Ca 0.30 -0.11 -0.13 0.00 0.06 0.00 0.00 58.65 58.77 3mem h GLN 432 Cb -0.13 -0.23 -0.01 0.00 0.30 0.00 0.00 27.48 27.41 3mem h GLN 432 CO -0.07 0.81 -0.45 1.05 -0.67 0.00 0.00 178.83 179.50 3mem h GLU 433 N 1.14 0.46 -0.62 1.46 4.11 -0.76 -0.49 114.58 119.88 3mem h GLU 433 Ca 0.29 -0.25 -0.09 0.00 0.07 0.00 0.00 59.36 59.39 3mem h GLU 433 Cb -0.02 0.01 -0.02 0.00 0.50 0.00 0.00 28.75 29.22 3mem h GLU 433 CO -0.05 0.82 0.05 1.96 0.07 0.00 0.00 179.01 181.86 3mem h GLN 434 N 0.37 1.06 -0.02 1.06 1.08 -0.85 -2.33 115.11 115.48 3mem h GLN 434 Ca 0.03 -0.31 -0.15 0.00 -1.45 0.00 0.00 58.65 56.77 3mem h GLN 434 Cb 0.94 -0.11 -0.02 0.00 -0.05 0.00 0.00 27.48 28.24 3mem h GLN 434 CO 0.08 1.01 -0.67 0.74 -0.95 0.00 0.00 178.83 179.04 3mem h PHE 435 N 0.96 0.10 -0.58 2.96 -1.00 -0.86 0.20 116.94 118.72 3mem h PHE 435 Ca 0.18 -0.04 -0.04 0.00 2.81 0.00 0.00 57.97 60.88 3mem h PHE 435 Cb 0.49 -0.02 -0.02 0.00 3.61 0.00 0.00 35.95 40.01 3mem h PHE 435 CO 0.04 0.72 0.20 -0.44 -1.61 0.00 0.00 178.31 177.21 3mem h ASP 436 N 0.05 0.83 -0.44 2.17 3.32 -1.06 -1.83 116.42 119.46 3mem h ASP 436 Ca -0.01 -0.20 -0.08 0.00 0.02 0.00 0.00 57.03 56.76 3mem h ASP 436 Cb 1.18 -0.22 -0.02 0.00 0.22 0.00 0.00 39.33 40.50 3mem h ASP 436 CO 0.09 0.80 -0.04 -0.08 -1.72 0.00 0.00 179.24 178.29 3mem h GLU 437 N 0.81 0.81 -0.84 3.56 4.57 -1.14 -2.86 114.58 119.49 3mem h GLU 437 Ca 0.19 -0.28 0.07 0.00 -1.18 0.00 0.00 59.36 58.15 3mem h GLU 437 Cb 0.26 -0.06 -0.06 0.00 -0.16 0.00 0.00 28.75 28.72 3mem h GLU 437 CO -0.01 0.90 0.51 1.25 -1.18 0.00 0.00 179.01 180.48 3mem h LEU 438 N 0.65 0.79 -1.18 1.64 5.85 -0.33 -1.91 115.31 120.82 3mem h LEU 438 Ca 0.12 0.02 -0.07 0.00 0.84 0.00 0.00 57.88 58.79 3mem h LEU 438 Cb 0.56 -0.14 -0.01 0.00 0.37 0.00 0.00 40.66 41.43 3mem h LEU 438 CO 0.03 0.50 -0.24 0.58 -0.34 0.00 0.00 178.44 178.97 3mem h VAL 439 N 0.92 1.24 0.00 1.05 2.07 -1.25 -1.04 116.25 119.24 3mem h VAL 439 Ca 0.37 -1.11 0.00 0.00 0.82 0.00 0.00 66.70 66.79 3mem h VAL 439 Cb 0.20 1.39 0.00 0.00 -1.52 0.00 0.00 31.29 31.36 3mem h VAL 439 CO -0.18 0.34 0.00 0.03 0.02 0.00 0.00 177.57 177.77 3mem h ARG 440 N 0.24 0.00 -0.73 1.57 3.08 -1.12 -2.38 114.38 115.04 3mem h ARG 440 Ca 0.04 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.09 3mem h ARG 440 Cb 0.56 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.61 3mem h ARG 440 CO 0.04 0.00 0.00 0.54 -1.07 0.00 0.00 179.97 179.48 3mem n ARG 441 N -2.67 3.26 -0.31 0.04 1.74 -0.39 -4.56 116.66 113.77 3mem n ARG 441 Ca -0.01 -1.87 0.13 0.00 -0.77 0.00 0.00 57.85 55.33 3mem n ARG 441 Cb 0.15 -1.92 0.29 0.00 -1.02 0.00 0.00 32.46 29.96 3mem n ARG 441 CO 0.00 0.00 0.00 -0.22 -1.52 0.00 0.00 177.63 175.89 3mem h LYS 442 N 2.41 0.12 -0.71 5.56 3.64 -1.53 -1.12 116.57 124.94 3mem h LYS 442 Ca 0.00 -0.01 -0.03 0.00 -1.27 0.00 0.00 60.65 59.35 3mem h LYS 442 Cb 1.34 -0.03 -0.03 0.00 -0.41 0.00 0.00 32.23 33.10 3mem h LYS 442 CO 0.28 0.08 0.33 -0.44 -2.27 0.00 0.00 179.45 177.42 3mem h ASP 443 N 0.12 0.91 1.14 4.20 3.32 -1.88 -2.46 116.42 121.77 3mem h ASP 443 Ca 0.56 -0.10 -0.18 0.00 0.02 0.00 0.00 57.03 57.33 3mem h ASP 443 Cb 1.15 -0.23 -0.03 0.00 0.22 0.00 0.00 39.33 40.44 3mem h ASP 443 CO -0.74 0.78 -0.87 0.77 -1.72 0.00 0.00 179.24 177.45 3mem h SER 444 N 1.00 0.00 0.00 6.45 4.64 -1.61 -2.04 113.55 121.99 3mem h SER 444 Ca 0.24 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.56 3mem h SER 444 Cb 0.12 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.21 3mem h SER 444 CO -0.03 0.82 0.00 -0.38 -0.87 0.00 0.00 176.83 176.37 3mem n ILE 445 N -3.28 0.00 -0.82 0.95 2.08 -0.54 -4.61 119.36 113.14 3mem n ILE 445 Ca -0.00 0.00 0.00 0.00 0.56 0.00 0.00 62.75 63.31 3mem n ILE 445 Cb 0.87 -0.13 0.00 0.00 -0.75 0.00 0.00 39.64 39.64 3mem n ILE 445 CO 0.00 0.00 0.00 0.00 0.56 0.00 0.00 176.55 177.11 3mem n ALA 447 N 0.63 -0.19 0.00 -1.39 0.00 -0.77 -4.66 120.51 114.12 3mem n ALA 447 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 3mem n ALA 447 Cb 0.00 -0.11 0.00 0.00 0.00 0.00 0.00 19.45 19.34 3mem n ALA 447 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3mem n ALA 449 N -0.53 0.00 -1.14 0.00 0.00 -1.26 -5.03 120.51 112.56 3mem n ALA 449 Ca 0.00 0.00 -0.25 0.00 0.00 0.00 0.00 53.44 53.19 3mem n ALA 449 Cb 0.09 0.00 -0.11 0.00 0.00 0.00 0.00 19.45 19.43 3mem n ALA 449 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3mem n GLY 450 N 0.00 -0.07 5.00 0.00 0.00 -1.26 -4.69 105.19 104.17 3mem n GLY 450 Ca 0.00 -0.30 0.00 0.00 0.00 0.00 0.00 46.02 45.72 3mem n GLY 450 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 3mem n SER 453 N 14.86 0.00 0.00 1.61 7.64 -1.26 -5.21 113.62 131.26 3mem n SER 453 Ca 0.40 0.00 0.00 0.00 1.01 0.00 0.00 58.87 60.28 3mem n SER 453 Cb 0.45 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.65 3mem n SER 453 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03