#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3ii4 s HIS 3 N 0.00 1.27 0.06 -1.42 5.65 -1.26 -1.78 115.29 117.81 3ii4 s HIS 3 Ca 0.00 -0.41 0.00 0.00 0.25 0.00 0.00 55.06 54.90 3ii4 s HIS 3 Cb 0.00 -0.73 -0.04 0.00 -1.18 0.00 0.00 32.58 30.63 3ii4 s HIS 3 CO 0.00 0.06 -0.04 0.71 -0.65 0.00 0.00 174.74 174.82 3ii4 s TYR 4 N -1.09 0.63 0.06 3.88 1.51 -0.85 -4.97 117.35 116.52 3ii4 s TYR 4 Ca 0.00 -0.96 -0.17 0.00 -1.01 0.00 0.00 57.07 54.93 3ii4 s TYR 4 Cb -0.09 -0.42 -0.14 0.00 -0.11 0.00 0.00 41.96 41.19 3ii4 s TYR 4 CO 0.02 -0.28 1.31 -0.44 -1.11 0.00 0.00 175.55 175.05 3ii4 h ASP 5 N 3.23 0.63 -3.93 2.29 3.32 -1.83 -2.54 116.42 117.59 3ii4 h ASP 5 Ca -0.34 -0.57 -0.41 0.00 0.02 0.00 0.00 57.03 55.73 3ii4 h ASP 5 Cb 1.16 -0.18 -0.30 0.00 0.22 0.00 0.00 39.33 40.23 3ii4 h ASP 5 CO 0.63 1.08 -0.78 -0.69 -1.72 0.00 0.00 179.24 177.75 3ii4 s VAL 6 N -3.98 0.76 -0.09 -1.35 1.01 -0.92 -0.41 120.40 115.42 3ii4 s VAL 6 Ca -0.13 -0.38 0.01 0.00 0.00 0.00 0.00 61.98 61.49 3ii4 s VAL 6 Cb 0.06 -0.65 0.02 0.00 0.00 0.00 0.00 36.38 35.81 3ii4 s VAL 6 CO 0.82 0.23 -0.11 -0.69 0.00 0.00 0.00 175.10 175.34 3ii4 s VAL 7 N -0.01 1.13 -0.18 2.92 1.01 -0.71 -2.06 120.40 122.50 3ii4 s VAL 7 Ca 0.00 -0.43 -0.06 0.00 0.00 0.00 0.00 61.98 61.50 3ii4 s VAL 7 Cb -0.06 -1.07 -0.03 0.00 0.00 0.00 0.00 36.38 35.22 3ii4 s VAL 7 CO 0.00 0.37 0.01 -0.69 0.00 0.00 0.00 175.10 174.79 3ii4 s VAL 8 N 1.04 4.27 -0.41 2.92 1.01 0.58 -0.95 120.40 128.86 3ii4 s VAL 8 Ca -0.07 -0.22 -0.15 0.00 0.00 0.00 0.00 61.98 61.54 3ii4 s VAL 8 Cb -0.15 -2.91 0.02 0.00 0.00 0.00 0.00 36.38 33.34 3ii4 s VAL 8 CO -0.01 0.46 0.34 -0.76 0.00 0.00 0.00 175.10 175.12 3ii4 s LEU 9 N 0.57 4.98 0.00 3.92 1.43 -0.16 -0.69 118.68 128.73 3ii4 s LEU 9 Ca 0.00 -0.78 0.00 0.00 -1.03 0.00 0.00 54.13 52.32 3ii4 s LEU 9 Cb -0.14 -2.23 0.00 0.00 0.03 0.00 0.00 46.19 43.86 3ii4 s LEU 9 CO 0.02 -0.47 0.00 0.61 0.23 0.00 0.00 176.35 176.74 3ii4 n GLY 10 N 5.14 2.43 1.44 -3.19 0.00 0.43 -1.00 105.19 110.43 3ii4 n GLY 10 Ca -0.10 -1.43 -0.11 0.00 0.00 0.00 0.00 46.02 44.38 3ii4 n GLY 10 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3ii4 n ALA 11 N 1.90 4.68 -1.62 4.61 0.00 -1.26 -4.13 120.51 124.69 3ii4 n ALA 11 Ca 0.00 -3.26 -0.06 0.00 0.00 0.00 0.00 53.44 50.12 3ii4 n ALA 11 Cb 0.00 -0.81 0.05 0.00 0.00 0.00 0.00 19.45 18.69 3ii4 n ALA 11 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3ii4 n GLY 12 N -1.06 -0.58 0.33 0.00 0.00 -1.26 0.45 105.19 103.07 3ii4 n GLY 12 Ca 0.39 -1.78 0.19 0.00 0.00 0.00 0.00 46.02 44.82 3ii4 n GLY 12 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 3ii4 h PRO 13 N 0.00 0.04 0.01 1.61 0.11 -1.91 -1.61 132.00 130.25 3ii4 h PRO 13 Ca -0.11 -0.00 -0.00 0.00 0.11 0.00 0.00 66.00 66.00 3ii4 h PRO 13 Cb 0.34 -0.01 0.00 0.00 0.11 0.00 0.00 31.00 31.44 3ii4 h PRO 13 CO 0.09 0.02 -0.00 0.78 -0.21 0.00 0.00 178.00 178.68 3ii4 h GLY 14 N 0.04 -0.01 0.93 -0.55 0.00 -1.85 -3.14 103.07 98.48 3ii4 h GLY 14 Ca 0.66 0.00 -0.01 0.00 0.00 0.00 0.00 47.33 47.98 3ii4 h GLY 14 CO -0.85 -0.00 -0.12 -1.33 0.00 0.00 0.00 176.54 174.24 3ii4 h GLY 15 N -0.69 -0.35 2.00 4.60 0.00 -1.51 -1.24 103.07 105.88 3ii4 h GLY 15 Ca -0.00 0.13 -0.07 0.00 0.00 0.00 0.00 47.33 47.38 3ii4 h GLY 15 CO 0.00 -0.13 -0.34 0.10 0.00 0.00 0.00 176.54 176.17 3ii4 h TYR 16 N -0.41 0.00 0.06 5.60 -0.00 -1.49 -1.40 116.97 119.33 3ii4 h TYR 16 Ca -0.03 0.00 -0.24 0.00 0.00 0.00 0.00 58.73 58.45 3ii4 h TYR 16 Cb 0.31 0.00 0.00 0.00 0.00 0.00 0.00 36.73 37.04 3ii4 h TYR 16 CO -0.04 0.34 -1.07 0.28 -0.00 0.00 0.00 178.16 177.68 3ii4 h VAL 17 N 0.00 1.46 -0.29 -0.90 2.07 -1.51 -2.77 116.25 114.30 3ii4 h VAL 17 Ca -0.00 -2.74 -0.10 0.00 0.82 0.00 0.00 66.70 64.68 3ii4 h VAL 17 Cb 0.68 2.66 -0.01 0.00 -1.52 0.00 0.00 31.29 33.09 3ii4 h VAL 17 CO 0.04 0.81 -0.23 0.00 0.02 0.00 0.00 177.57 178.22 3ii4 h ALA 18 N 0.70 1.07 -0.45 1.67 0.00 -0.88 -1.99 119.26 119.38 3ii4 h ALA 18 Ca -0.10 -0.34 -0.13 0.00 0.00 0.00 0.00 54.91 54.34 3ii4 h ALA 18 Cb 1.74 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 19.39 3ii4 h ALA 18 CO 0.18 0.57 -0.22 0.00 0.00 0.00 0.00 179.25 179.78 3ii4 h ALA 19 N 1.27 0.76 -0.01 0.00 0.00 -1.25 -0.01 119.26 120.03 3ii4 h ALA 19 Ca 0.07 -0.39 -0.00 0.00 0.00 0.00 0.00 54.91 54.60 3ii4 h ALA 19 Cb 0.66 -0.16 -0.00 0.00 0.00 0.00 0.00 17.79 18.29 3ii4 h ALA 19 CO 0.05 0.66 0.00 0.82 0.00 0.00 0.00 179.25 180.78 3ii4 h ILE 20 N 0.79 1.14 -0.39 0.00 2.04 -1.26 0.12 117.51 119.95 3ii4 h ILE 20 Ca 0.10 -0.43 0.00 0.00 1.00 0.00 0.00 64.86 65.54 3ii4 h ILE 20 Cb 0.77 1.42 -0.02 0.00 -0.74 0.00 0.00 36.82 38.26 3ii4 h ILE 20 CO 0.06 0.11 0.26 -0.09 0.00 0.00 0.00 178.15 178.50 3ii4 h ARG 21 N -0.17 0.52 -0.31 2.37 9.65 -1.27 0.71 114.38 125.88 3ii4 h ARG 21 Ca 0.00 -0.03 0.03 0.00 -1.10 0.00 0.00 59.98 58.88 3ii4 h ARG 21 Cb 0.18 -0.12 -0.03 0.00 -1.39 0.00 0.00 29.97 28.61 3ii4 h ARG 21 CO -0.00 0.34 0.12 0.00 2.80 0.00 0.00 179.97 183.23 3ii4 h ALA 22 N 1.14 0.36 -0.55 2.80 0.00 -0.84 -1.58 119.26 120.59 3ii4 h ALA 22 Ca 0.14 0.03 0.03 0.00 0.00 0.00 0.00 54.91 55.11 3ii4 h ALA 22 Cb -0.06 0.00 -0.04 0.00 0.00 0.00 0.00 17.79 17.69 3ii4 h ALA 22 CO -0.03 -0.28 0.33 0.00 0.00 0.00 0.00 179.25 179.27 3ii4 h ALA 23 N 1.19 0.70 -0.40 0.00 0.00 -0.28 -1.31 119.26 119.16 3ii4 h ALA 23 Ca 0.14 -0.01 0.09 0.00 0.00 0.00 0.00 54.91 55.12 3ii4 h ALA 23 Cb 0.09 -0.15 -0.02 0.00 0.00 0.00 0.00 17.79 17.71 3ii4 h ALA 23 CO -0.13 0.04 0.28 1.96 0.00 0.00 0.00 179.25 181.40 3ii4 h GLN 24 N 0.64 0.16 -0.85 0.00 4.20 -0.14 0.21 115.11 119.34 3ii4 h GLN 24 Ca 0.22 -0.01 0.00 0.00 0.06 0.00 0.00 58.65 58.92 3ii4 h GLN 24 Cb 0.03 -0.04 0.00 0.00 0.30 0.00 0.00 27.48 27.78 3ii4 h GLN 24 CO -0.10 0.11 0.00 1.28 -0.67 0.00 0.00 178.83 179.45 3ii4 n LEU 25 N -4.46 2.58 -0.76 1.46 4.77 -0.53 -4.88 117.00 115.19 3ii4 n LEU 25 Ca 0.06 -1.31 -0.10 0.00 -0.03 0.00 0.00 56.01 54.63 3ii4 n LEU 25 Cb 0.36 -0.56 -0.04 0.00 -2.33 0.00 0.00 43.42 40.85 3ii4 n LEU 25 CO 0.35 0.38 -0.09 0.61 -1.33 0.00 0.00 177.39 177.30 3ii4 n GLY 26 N 0.22 1.14 3.69 -0.72 0.00 0.06 -5.01 105.19 104.57 3ii4 n GLY 26 Ca 0.09 -0.52 -0.37 0.00 0.00 0.00 0.00 46.02 45.22 3ii4 n GLY 26 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3ii4 s LEU 27 N -2.26 4.18 0.13 0.99 1.43 -0.96 -5.03 118.68 117.15 3ii4 s LEU 27 Ca 0.00 0.46 -0.31 0.00 -1.03 0.00 0.00 54.13 53.25 3ii4 s LEU 27 Cb 0.00 -2.41 -0.10 0.00 0.03 0.00 0.00 46.19 43.71 3ii4 s LEU 27 CO 0.00 -0.00 1.75 -0.94 0.23 0.00 0.00 176.35 177.39 3ii4 s SER 28 N 0.87 6.48 0.04 2.29 1.04 -1.26 -4.07 113.70 119.09 3ii4 s SER 28 Ca 0.17 2.69 0.05 0.00 0.48 0.00 0.00 55.95 59.34 3ii4 s SER 28 Cb -0.14 -2.57 -0.02 0.00 0.10 0.00 0.00 66.02 63.38 3ii4 s SER 28 CO 0.06 -0.96 -0.15 -0.89 0.98 0.00 0.00 173.24 172.29 3ii4 s THR 29 N 2.36 1.18 -0.02 2.02 2.01 -1.26 -2.16 115.64 119.76 3ii4 s THR 29 Ca 0.77 -1.07 0.01 0.00 0.31 0.00 0.00 61.69 61.71 3ii4 s THR 29 Cb -0.45 -1.07 0.02 0.00 0.01 0.00 0.00 72.50 71.01 3ii4 s THR 29 CO 0.34 -0.01 -0.01 0.00 -0.69 0.00 0.00 174.62 174.25 3ii4 s ALA 30 N -0.90 0.30 -0.08 7.40 0.00 -0.87 -1.59 121.76 126.01 3ii4 s ALA 30 Ca 0.02 0.07 0.04 0.00 0.00 0.00 0.00 51.96 52.09 3ii4 s ALA 30 Cb -0.08 -0.24 -0.00 0.00 0.00 0.00 0.00 23.12 22.80 3ii4 s ALA 30 CO 0.01 -0.02 -0.22 -1.50 0.00 0.00 0.00 175.76 174.03 3ii4 s ILE 31 N 0.66 1.91 -0.19 0.00 2.07 -0.02 -0.31 121.20 125.33 3ii4 s ILE 31 Ca -0.07 -0.95 -0.04 0.00 -1.41 0.00 0.00 60.65 58.18 3ii4 s ILE 31 Cb -0.10 -1.64 -0.02 0.00 0.13 0.00 0.00 42.46 40.82 3ii4 s ILE 31 CO -0.01 0.53 -0.02 -0.69 -1.91 0.00 0.00 174.94 172.84 3ii4 s VAL 32 N 0.21 3.89 -0.13 4.00 1.01 0.14 -1.13 120.40 128.38 3ii4 s VAL 32 Ca -0.13 -0.34 -0.07 0.00 0.00 0.00 0.00 61.98 61.43 3ii4 s VAL 32 Cb -0.16 -2.74 0.05 0.00 0.00 0.00 0.00 36.38 33.53 3ii4 s VAL 32 CO 0.06 0.45 0.32 -0.70 0.00 0.00 0.00 175.10 175.23 3ii4 s GLU 33 N 0.81 0.30 0.01 2.72 2.56 -0.79 -0.43 118.70 123.88 3ii4 s GLU 33 Ca -0.00 0.62 0.22 0.00 0.00 0.00 0.00 54.97 55.81 3ii4 s GLU 33 Cb -0.14 -0.05 -0.26 0.00 2.00 0.00 0.00 34.13 35.67 3ii4 s GLU 33 CO 0.02 -0.15 0.61 -0.35 -0.56 0.00 0.00 175.26 174.83 3ii4 n PRO 34 N 4.09 0.61 0.11 4.30 -0.04 -0.91 -2.76 135.00 140.41 3ii4 n PRO 34 Ca -0.23 -0.13 0.00 0.00 -0.04 0.00 0.00 63.50 63.10 3ii4 n PRO 34 Cb 0.54 -1.58 0.00 0.00 -0.04 0.00 0.00 33.50 32.43 3ii4 n PRO 34 CO 0.00 0.00 0.00 1.17 -0.04 0.00 0.00 175.50 176.63 3ii4 n LYS 35 N -2.29 0.00 -3.45 0.54 4.81 -1.26 -4.80 118.16 111.71 3ii4 n LYS 35 Ca -0.03 0.00 -0.43 0.00 -0.87 0.00 0.00 58.31 56.98 3ii4 n LYS 35 Cb 0.55 -0.09 -0.07 0.00 0.02 0.00 0.00 35.03 35.44 3ii4 n LYS 35 CO 0.00 0.00 0.00 0.71 1.17 0.00 0.00 177.40 179.28 3ii4 s TYR 36 N -1.88 3.33 -0.24 5.64 4.12 -1.26 -5.04 117.35 122.02 3ii4 s TYR 36 Ca 0.00 -1.52 -0.29 0.00 0.02 0.00 0.00 57.07 55.28 3ii4 s TYR 36 Cb 0.00 -3.53 0.01 0.00 -1.52 0.00 0.00 41.96 36.92 3ii4 s TYR 36 CO 0.00 -0.97 1.11 -1.58 0.02 0.00 0.00 175.55 174.13 3ii4 s TRP 37 N 1.49 3.16 0.00 2.71 0.52 -1.26 -0.65 118.94 124.90 3ii4 s TRP 37 Ca 0.04 1.28 0.00 0.00 0.02 0.00 0.00 56.10 57.44 3ii4 s TRP 37 Cb -0.27 -3.44 0.00 0.00 -1.15 0.00 0.00 33.47 28.61 3ii4 s TRP 37 CO 0.02 -0.87 0.00 0.41 0.02 0.00 0.00 176.95 176.52 3ii4 n GLY 38 N 3.55 0.40 7.00 0.98 0.00 0.17 -4.74 105.19 112.56 3ii4 n GLY 38 Ca 0.13 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.15 3ii4 n GLY 38 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3ii4 n GLY 39 N -1.60 0.53 0.19 -0.02 0.00 0.18 -2.95 105.19 101.52 3ii4 n GLY 39 Ca 0.00 -0.79 -0.13 0.00 0.00 0.00 0.00 46.02 45.10 3ii4 n GLY 39 CO 0.00 0.00 0.00 -2.08 0.00 0.00 0.00 173.32 171.24 3ii4 h VAL 40 N 0.00 0.72 -0.68 1.61 2.07 -1.94 -3.08 116.25 114.96 3ii4 h VAL 40 Ca 0.00 -0.59 0.06 0.00 0.82 0.00 0.00 66.70 67.00 3ii4 h VAL 40 Cb 0.00 1.02 -0.09 0.00 -1.52 0.00 0.00 31.29 30.71 3ii4 h VAL 40 CO 0.00 0.12 -0.44 0.00 0.02 0.00 0.00 177.57 177.27 3ii4 h LEU 42 N -0.05 0.00 0.00 0.00 3.38 -1.67 -0.06 115.31 116.92 3ii4 h LEU 42 Ca 0.11 0.00 -0.17 0.00 0.09 0.00 0.00 57.88 57.91 3ii4 h LEU 42 Cb 0.33 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 41.06 3ii4 h LEU 42 CO -0.67 0.52 -1.12 0.59 0.09 0.00 0.00 178.44 177.85 3ii4 n ASN 43 N -3.56 1.85 -0.23 -0.43 3.02 -0.97 -4.60 115.26 110.35 3ii4 n ASN 43 Ca -0.00 0.48 0.03 0.00 -0.03 0.00 0.00 54.58 55.05 3ii4 n ASN 43 Cb 0.60 -0.92 0.04 0.00 -0.61 0.00 0.00 39.78 38.89 3ii4 n ASN 43 CO 0.00 0.00 0.00 1.33 -2.62 0.00 0.00 177.26 175.97 3ii4 n VAL 44 N -4.48 0.66 0.00 2.41 0.24 0.61 -4.79 118.33 112.98 3ii4 n VAL 44 Ca -0.26 -0.77 0.00 0.00 -2.04 0.00 0.00 64.34 61.28 3ii4 n VAL 44 Cb 0.57 0.38 0.00 0.00 -1.47 0.00 0.00 33.84 33.31 3ii4 n VAL 44 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 3ii4 n GLY 45 N -0.47 2.34 0.00 7.63 0.00 0.18 -4.82 105.19 110.05 3ii4 n GLY 45 Ca 0.05 -0.11 0.00 0.00 0.00 0.00 0.00 46.02 45.96 3ii4 n GLY 45 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3ii4 h ILE 47 N 0.00 0.00 -0.56 0.00 1.08 -1.68 -0.50 117.51 115.84 3ii4 h ILE 47 Ca 0.00 0.00 -0.03 0.00 -0.39 0.00 0.00 64.86 64.44 3ii4 h ILE 47 Cb 0.00 0.00 -0.03 0.00 -3.07 0.00 0.00 36.82 33.72 3ii4 h ILE 47 CO 0.00 0.00 0.24 1.55 -0.69 0.00 0.00 178.15 179.25 3ii4 h PRO 48 N -0.16 0.80 0.14 2.37 0.13 -1.75 -2.91 132.00 130.63 3ii4 h PRO 48 Ca 0.03 -0.11 0.02 0.00 -0.87 0.00 0.00 66.00 65.07 3ii4 h PRO 48 Cb 0.25 -0.15 -0.04 0.00 0.13 0.00 0.00 31.00 31.19 3ii4 h PRO 48 CO -0.27 0.65 -0.33 1.03 -0.23 0.00 0.00 178.00 178.85 3ii4 h SER 49 N 0.80 -0.95 0.16 1.44 0.87 -0.82 -1.16 113.55 113.89 3ii4 h SER 49 Ca 0.19 0.11 -0.01 0.00 -1.23 0.00 0.00 61.79 60.85 3ii4 h SER 49 Cb 0.14 0.36 -0.00 0.00 -0.44 0.00 0.00 62.40 62.45 3ii4 h SER 49 CO -0.02 -0.42 -0.07 0.11 -0.53 0.00 0.00 176.83 175.90 3ii4 h LYS 50 N -0.57 0.00 -0.02 2.24 6.56 -1.03 -0.21 116.57 123.54 3ii4 h LYS 50 Ca 0.03 0.00 -0.01 0.00 -1.06 0.00 0.00 60.65 59.61 3ii4 h LYS 50 Cb 0.59 0.00 -0.00 0.00 -0.57 0.00 0.00 32.23 32.25 3ii4 h LYS 50 CO -0.18 0.07 -0.01 0.00 -2.06 0.00 0.00 179.45 177.27 3ii4 h ALA 51 N 1.93 0.03 -0.49 3.86 0.00 -1.15 -1.95 119.26 121.48 3ii4 h ALA 51 Ca -0.00 -0.20 -0.05 0.00 0.00 0.00 0.00 54.91 54.66 3ii4 h ALA 51 Cb 0.17 -0.01 -0.02 0.00 0.00 0.00 0.00 17.79 17.92 3ii4 h ALA 51 CO 0.01 -0.26 0.12 -0.07 0.00 0.00 0.00 179.25 179.04 3ii4 h LEU 52 N -0.34 0.70 -1.03 0.00 3.38 -0.50 -1.91 115.31 115.60 3ii4 h LEU 52 Ca 0.00 -0.12 -0.06 0.00 0.09 0.00 0.00 57.88 57.80 3ii4 h LEU 52 Cb 0.41 -0.18 -0.02 0.00 0.09 0.00 0.00 40.66 40.96 3ii4 h LEU 52 CO 0.00 0.69 0.03 -0.07 0.09 0.00 0.00 178.44 179.19 3ii4 h LEU 53 N 0.73 0.69 -0.07 1.67 3.38 -0.99 -1.02 115.31 119.69 3ii4 h LEU 53 Ca 0.16 -0.15 -0.00 0.00 0.09 0.00 0.00 57.88 57.98 3ii4 h LEU 53 Cb 0.28 -0.18 -0.00 0.00 0.09 0.00 0.00 40.66 40.84 3ii4 h LEU 53 CO -0.00 0.74 0.03 -0.09 0.09 0.00 0.00 178.44 179.20 3ii4 h ARG 54 N 0.69 0.10 -0.27 1.13 9.65 -0.59 -1.07 114.38 124.02 3ii4 h ARG 54 Ca 0.14 -0.02 0.05 0.00 -1.10 0.00 0.00 59.98 59.05 3ii4 h ARG 54 Cb 0.38 -0.02 -0.04 0.00 -1.39 0.00 0.00 29.97 28.90 3ii4 h ARG 54 CO 0.01 0.24 0.00 -0.91 2.80 0.00 0.00 179.97 182.12 3ii4 h ASN 55 N -0.06 -0.10 -0.15 -3.80 4.21 -1.11 -1.09 115.58 113.48 3ii4 h ASN 55 Ca 0.02 0.06 0.01 0.00 1.21 0.00 0.00 56.30 57.60 3ii4 h ASN 55 Cb 0.18 0.10 -0.01 0.00 -1.12 0.00 0.00 38.32 37.48 3ii4 h ASN 55 CO -0.00 -0.02 0.10 0.00 -1.29 0.00 0.00 177.43 176.23 3ii4 h ALA 56 N 1.23 1.94 -0.44 -0.83 0.00 -1.04 -1.84 119.26 118.28 3ii4 h ALA 56 Ca 0.13 -0.01 -0.06 0.00 0.00 0.00 0.00 54.91 54.97 3ii4 h ALA 56 Cb 0.17 -0.05 -0.02 0.00 0.00 0.00 0.00 17.79 17.89 3ii4 h ALA 56 CO -0.21 0.04 0.03 1.49 0.00 0.00 0.00 179.25 180.59 3ii4 h GLU 57 N 0.17 0.76 -0.60 0.00 4.81 0.09 -1.12 114.58 118.69 3ii4 h GLU 57 Ca 0.06 -0.23 -0.06 0.00 -0.13 0.00 0.00 59.36 59.00 3ii4 h GLU 57 Cb 0.04 -0.08 -0.03 0.00 0.63 0.00 0.00 28.75 29.32 3ii4 h GLU 57 CO -0.01 0.82 0.12 -0.07 -0.73 0.00 0.00 179.01 179.13 3ii4 h LEU 58 N 0.61 0.91 -0.71 1.64 3.38 -0.85 0.42 115.31 120.71 3ii4 h LEU 58 Ca 0.13 -0.19 -0.02 0.00 0.09 0.00 0.00 57.88 57.89 3ii4 h LEU 58 Cb 0.45 -0.24 -0.03 0.00 0.09 0.00 0.00 40.66 40.93 3ii4 h LEU 58 CO 0.02 0.90 0.38 0.58 0.09 0.00 0.00 178.44 180.40 3ii4 h VAL 59 N 0.91 1.22 0.81 1.22 2.07 -1.19 -1.23 116.25 120.06 3ii4 h VAL 59 Ca 0.19 -0.58 -0.04 0.00 0.82 0.00 0.00 66.70 67.09 3ii4 h VAL 59 Cb 0.37 0.30 0.01 0.00 -1.52 0.00 0.00 31.29 30.45 3ii4 h VAL 59 CO 0.01 0.25 -0.39 -0.74 0.02 0.00 0.00 177.57 176.72 3ii4 h HIS 60 N 0.98 -1.01 -0.92 1.57 -0.00 -0.38 -1.36 115.15 114.02 3ii4 h HIS 60 Ca 0.25 -0.02 0.26 0.00 -0.00 0.00 0.00 60.37 60.86 3ii4 h HIS 60 Cb 0.06 0.33 -0.16 0.00 -0.00 0.00 0.00 27.41 27.65 3ii4 h HIS 60 CO -0.00 -0.62 0.21 0.82 -0.00 0.00 0.00 177.93 178.34 3ii4 h ILE 61 N -1.27 0.20 0.18 6.26 2.04 -0.02 0.16 117.51 125.06 3ii4 h ILE 61 Ca -0.11 -0.05 -0.01 0.00 1.00 0.00 0.00 64.86 65.69 3ii4 h ILE 61 Cb 0.84 0.06 0.00 0.00 -0.74 0.00 0.00 36.82 36.98 3ii4 h ILE 61 CO 0.18 0.02 -0.09 0.15 0.00 0.00 0.00 178.15 178.42 3ii4 h PHE 62 N 0.13 -0.23 -0.48 1.37 3.57 -1.18 -1.96 116.94 118.17 3ii4 h PHE 62 Ca 0.60 -0.01 0.04 0.00 3.53 0.00 0.00 57.97 62.13 3ii4 h PHE 62 Cb 1.27 0.07 -0.06 0.00 2.79 0.00 0.00 35.95 40.02 3ii4 h PHE 62 CO -0.30 -0.14 -0.30 1.15 -2.23 0.00 0.00 178.31 176.49 3ii4 h THR 63 N -0.43 0.00 -0.26 4.41 2.02 -0.64 0.68 112.91 118.70 3ii4 h THR 63 Ca -0.02 0.00 -0.07 0.00 0.77 0.00 0.00 66.41 67.09 3ii4 h THR 63 Cb 0.19 0.00 -0.01 0.00 -1.74 0.00 0.00 68.15 66.58 3ii4 h THR 63 CO 0.04 0.00 -0.13 0.50 0.37 0.00 0.00 175.52 176.30 3ii4 h LYS 64 N -0.02 0.43 0.00 6.66 3.64 -0.86 -3.36 116.57 123.06 3ii4 h LYS 64 Ca 0.08 -0.12 0.00 0.00 -1.27 0.00 0.00 60.65 59.34 3ii4 h LYS 64 Cb 0.22 -0.05 0.00 0.00 -0.41 0.00 0.00 32.23 31.99 3ii4 h LYS 64 CO -0.46 0.56 -0.18 -0.25 -2.27 0.00 0.00 179.45 176.85 3ii4 n ASP 65 N -4.21 1.27 -0.08 4.20 8.00 -0.74 -4.84 116.55 120.14 3ii4 n ASP 65 Ca 0.00 -2.42 -0.07 0.00 0.71 0.00 0.00 54.79 53.01 3ii4 n ASP 65 Cb 0.31 -0.27 -0.01 0.00 -0.02 0.00 0.00 41.12 41.14 3ii4 n ASP 65 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 3ii4 h ALA 66 N 0.00 -0.08 -0.14 2.24 0.00 0.33 -2.14 119.26 119.47 3ii4 h ALA 66 Ca 0.00 0.10 0.00 0.00 0.00 0.00 0.00 54.91 55.01 3ii4 h ALA 66 Cb 1.10 0.54 -0.01 0.00 0.00 0.00 0.00 17.79 19.43 3ii4 h ALA 66 CO 0.00 -0.65 0.09 -0.22 0.00 0.00 0.00 179.25 178.47 3ii4 h LYS 67 N -0.22 0.18 -0.12 0.00 1.63 -1.83 0.49 116.57 116.70 3ii4 h LYS 67 Ca 0.16 -0.01 0.04 0.00 -0.85 0.00 0.00 60.65 59.99 3ii4 h LYS 67 Cb 0.47 -0.04 -0.00 0.00 -0.60 0.00 0.00 32.23 32.06 3ii4 h LYS 67 CO -0.45 0.12 0.22 0.00 -3.45 0.00 0.00 179.45 175.90 3ii4 h ALA 68 N 1.05 1.56 -0.49 5.00 0.00 -1.76 -0.21 119.26 124.41 3ii4 h ALA 68 Ca 0.05 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.96 3ii4 h ALA 68 Cb -0.02 0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.78 3ii4 h ALA 68 CO -0.01 -0.29 0.00 1.19 0.00 0.00 0.00 179.25 180.14 3ii4 n PHE 69 N -3.41 0.65 -2.08 0.00 0.99 -0.86 -4.96 117.46 107.79 3ii4 n PHE 69 Ca 0.00 -0.44 -0.14 0.00 -0.00 0.00 0.00 57.45 56.87 3ii4 n PHE 69 Cb 0.32 -0.01 -0.02 0.00 -1.00 0.00 0.00 39.48 38.77 3ii4 n PHE 69 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.76 177.17 3ii4 n GLY 70 N 1.10 0.15 3.34 1.37 0.00 -0.09 -4.97 105.19 106.09 3ii4 n GLY 70 Ca 0.17 -0.31 -0.40 0.00 0.00 0.00 0.00 46.02 45.48 3ii4 n GLY 70 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3ii4 s ILE 71 N -2.66 4.46 0.08 -0.61 1.01 0.11 -5.02 121.20 118.57 3ii4 s ILE 71 Ca 0.00 -1.02 0.10 0.00 0.00 0.00 0.00 60.65 59.73 3ii4 s ILE 71 Cb 0.00 -3.56 -0.03 0.00 0.01 0.00 0.00 42.46 38.88 3ii4 s ILE 71 CO 0.00 -0.31 -0.26 -0.94 0.00 0.00 0.00 174.94 173.43 3ii4 s SER 72 N 1.71 3.25 0.00 3.58 1.04 -1.26 -3.94 113.70 118.08 3ii4 s SER 72 Ca 0.02 -0.64 0.00 0.00 0.48 0.00 0.00 55.95 55.80 3ii4 s SER 72 Cb -0.20 -0.28 0.00 0.00 0.10 0.00 0.00 66.02 65.64 3ii4 s SER 72 CO 0.05 0.23 0.00 0.61 0.98 0.00 0.00 173.24 175.11 3ii4 n GLY 73 N 1.44 3.52 3.35 7.32 0.00 -1.26 -5.06 105.19 114.50 3ii4 n GLY 73 Ca -0.17 -1.46 -0.45 0.00 0.00 0.00 0.00 46.02 43.94 3ii4 n GLY 73 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3ii4 s GLU 74 N -2.38 2.96 0.24 1.61 2.02 -1.26 -5.06 118.70 116.84 3ii4 s GLU 74 Ca 0.00 -1.49 0.08 0.00 0.02 0.00 0.00 54.97 53.58 3ii4 s GLU 74 Cb 0.00 -4.18 -0.04 0.00 0.10 0.00 0.00 34.13 30.01 3ii4 s GLU 74 CO 0.00 -1.14 0.06 0.14 0.02 0.00 0.00 175.26 174.34 3ii4 s VAL 75 N 1.61 3.85 0.02 2.63 -7.23 -1.26 -5.13 120.40 114.90 3ii4 s VAL 75 Ca 0.04 -1.62 0.02 0.00 -1.81 0.00 0.00 61.98 58.61 3ii4 s VAL 75 Cb -0.26 -3.03 -0.02 0.00 0.56 0.00 0.00 36.38 33.63 3ii4 s VAL 75 CO 0.05 -0.30 -0.06 0.42 -0.31 0.00 0.00 175.10 174.91 3ii4 s THR 76 N -2.11 0.41 -0.07 5.32 -4.23 -1.26 -5.15 115.64 108.56 3ii4 s THR 76 Ca 0.31 -0.72 0.03 0.00 -1.18 0.00 0.00 61.69 60.12 3ii4 s THR 76 Cb -0.08 -0.45 -0.02 0.00 1.34 0.00 0.00 72.50 73.29 3ii4 s THR 76 CO 0.21 -0.22 -0.14 -0.36 -0.54 0.00 0.00 174.62 173.57 3ii4 s PHE 77 N -0.91 2.73 -0.37 3.99 0.40 -1.26 -5.09 117.98 117.46 3ii4 s PHE 77 Ca -0.06 -0.26 -0.04 0.00 -0.60 0.00 0.00 56.93 55.97 3ii4 s PHE 77 Cb -0.07 -1.68 0.08 0.00 0.51 0.00 0.00 43.02 41.86 3ii4 s PHE 77 CO 0.00 0.10 0.15 0.34 0.70 0.00 0.00 175.22 176.51 3ii4 s ASP 78 N -0.49 5.23 0.29 1.36 2.15 -1.26 -4.97 116.67 118.97 3ii4 s ASP 78 Ca 0.06 -1.65 0.03 0.00 0.43 0.00 0.00 52.55 51.43 3ii4 s ASP 78 Cb -0.12 -1.83 0.63 0.00 -0.30 0.00 0.00 42.92 41.31 3ii4 s ASP 78 CO 0.02 -0.44 1.80 0.22 -0.17 0.00 0.00 175.17 176.59 3ii4 h TYR 79 N 8.11 1.07 -0.96 -5.34 3.20 -1.97 -1.61 116.97 119.46 3ii4 h TYR 79 Ca -0.18 0.03 0.24 0.00 3.14 0.00 0.00 58.73 61.97 3ii4 h TYR 79 Cb 1.06 -0.33 -0.13 0.00 1.54 0.00 0.00 36.73 38.88 3ii4 h TYR 79 CO 0.58 0.32 0.52 0.78 -1.64 0.00 0.00 178.16 178.72 3ii4 h GLY 80 N 0.85 1.79 1.41 1.82 0.00 -1.94 0.37 103.07 107.37 3ii4 h GLY 80 Ca 0.53 -0.25 -0.14 0.00 0.00 0.00 0.00 47.33 47.47 3ii4 h GLY 80 CO -0.33 -0.27 -0.39 -2.22 0.00 0.00 0.00 176.54 173.32 3ii4 h ILE 81 N 0.49 1.29 -0.49 2.60 1.08 -1.68 -0.10 117.51 120.72 3ii4 h ILE 81 Ca 0.62 -1.56 -0.03 0.00 -0.39 0.00 0.00 64.86 63.50 3ii4 h ILE 81 Cb 1.20 1.51 -0.02 0.00 -3.07 0.00 0.00 36.82 36.44 3ii4 h ILE 81 CO -0.51 0.50 0.18 0.00 -0.69 0.00 0.00 178.15 177.63 3ii4 h ALA 82 N 1.03 0.64 0.21 1.87 0.00 -0.40 -1.74 119.26 120.87 3ii4 h ALA 82 Ca 0.05 -0.17 -0.00 0.00 0.00 0.00 0.00 54.91 54.79 3ii4 h ALA 82 Cb 0.92 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 18.50 3ii4 h ALA 82 CO 0.08 0.27 -0.18 -0.92 0.00 0.00 0.00 179.25 178.50 3ii4 h TYR 83 N 0.65 -0.46 -0.72 0.00 3.20 -0.20 -2.12 116.97 117.32 3ii4 h TYR 83 Ca 0.16 0.00 0.15 0.00 3.14 0.00 0.00 58.73 62.18 3ii4 h TYR 83 Cb 0.23 0.17 -0.10 0.00 1.54 0.00 0.00 36.73 38.58 3ii4 h TYR 83 CO 0.01 -0.27 0.23 -0.44 -1.64 0.00 0.00 178.16 176.05 3ii4 h ASP 84 N -0.40 0.13 -0.06 -2.11 3.32 -0.71 -0.90 116.42 115.70 3ii4 h ASP 84 Ca -0.01 0.12 -0.09 0.00 0.02 0.00 0.00 57.03 57.07 3ii4 h ASP 84 Cb 0.36 0.14 -0.01 0.00 0.22 0.00 0.00 39.33 40.04 3ii4 h ASP 84 CO -0.02 0.03 -0.24 -0.09 -1.72 0.00 0.00 179.24 177.20 3ii4 h ARG 85 N 0.35 0.48 -0.21 3.56 2.43 -1.09 -2.53 114.38 117.36 3ii4 h ARG 85 Ca 0.40 -0.17 -0.06 0.00 -0.81 0.00 0.00 59.98 59.33 3ii4 h ARG 85 Cb 0.64 -0.03 -0.01 0.00 -0.42 0.00 0.00 29.97 30.15 3ii4 h ARG 85 CO -0.45 0.69 -0.15 0.66 -1.51 0.00 0.00 179.97 179.21 3ii4 h SER 86 N 0.42 0.34 -0.15 -3.80 4.64 -0.50 -0.49 113.55 114.01 3ii4 h SER 86 Ca 0.06 -0.08 -0.19 0.00 -0.47 0.00 0.00 61.79 61.12 3ii4 h SER 86 Cb 0.65 -0.09 0.01 0.00 -0.31 0.00 0.00 62.40 62.66 3ii4 h SER 86 CO 0.05 0.52 -0.63 0.03 -0.87 0.00 0.00 176.83 175.93 3ii4 h ARG 87 N 0.33 0.69 -0.52 4.77 2.47 -1.13 -1.87 114.38 119.13 3ii4 h ARG 87 Ca 0.06 -0.54 -0.01 0.00 -1.26 0.00 0.00 59.98 58.23 3ii4 h ARG 87 Cb 0.46 0.11 -0.02 0.00 -1.65 0.00 0.00 29.97 28.86 3ii4 h ARG 87 CO 0.03 1.16 0.28 0.87 0.56 0.00 0.00 179.97 182.87 3ii4 h LYS 88 N 0.38 0.72 -0.34 0.04 1.57 -1.10 0.42 116.57 118.27 3ii4 h LYS 88 Ca -0.04 -0.09 -0.05 0.00 -1.87 0.00 0.00 60.65 58.60 3ii4 h LYS 88 Cb 1.26 -0.14 -0.02 0.00 0.08 0.00 0.00 32.23 33.41 3ii4 h LYS 88 CO 0.13 0.57 -0.02 0.28 -0.57 0.00 0.00 179.45 179.84 3ii4 h VAL 89 N 0.69 1.20 -0.01 0.50 2.07 -1.11 -1.19 116.25 118.40 3ii4 h VAL 89 Ca 0.18 -0.83 -0.01 0.00 0.82 0.00 0.00 66.70 66.86 3ii4 h VAL 89 Cb 0.06 0.97 -0.00 0.00 -1.52 0.00 0.00 31.29 30.80 3ii4 h VAL 89 CO -0.03 0.28 -0.02 0.00 0.02 0.00 0.00 177.57 177.83 3ii4 h ALA 90 N 1.48 0.02 0.00 1.67 0.00 -0.48 -3.06 119.26 118.89 3ii4 h ALA 90 Ca 0.11 -0.26 -0.01 0.00 0.00 0.00 0.00 54.91 54.74 3ii4 h ALA 90 Cb 0.36 -0.00 -0.00 0.00 0.00 0.00 0.00 17.79 18.14 3ii4 h ALA 90 CO 0.01 -0.21 -0.06 1.05 0.00 0.00 0.00 179.25 180.04 3ii4 h GLU 91 N -0.46 0.00 -0.38 0.00 4.11 -0.00 -2.01 114.58 115.84 3ii4 h GLU 91 Ca 0.00 0.00 -0.03 0.00 0.07 0.00 0.00 59.36 59.41 3ii4 h GLU 91 Cb 0.53 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.76 3ii4 h GLU 91 CO 0.00 0.06 0.13 0.78 0.07 0.00 0.00 179.01 180.06 3ii4 h GLY 92 N 0.21 0.62 1.00 1.06 0.00 -1.16 -2.03 103.07 102.76 3ii4 h GLY 92 Ca -0.00 -0.35 -0.10 0.00 0.00 0.00 0.00 47.33 46.87 3ii4 h GLY 92 CO 0.01 0.33 -0.17 3.21 0.00 0.00 0.00 176.54 179.92 3ii4 h ARG 93 N 0.46 0.79 -0.98 4.80 2.47 -1.33 -2.34 114.38 118.26 3ii4 h ARG 93 Ca 0.12 -0.34 0.03 0.00 -1.26 0.00 0.00 59.98 58.53 3ii4 h ARG 93 Cb 0.22 -0.03 -0.05 0.00 -1.65 0.00 0.00 29.97 28.46 3ii4 h ARG 93 CO -0.01 0.96 0.64 0.28 0.56 0.00 0.00 179.97 182.41 3ii4 h VAL 94 N 0.60 1.19 -0.01 2.04 2.07 -1.32 0.58 116.25 121.40 3ii4 h VAL 94 Ca 0.09 -0.43 -0.07 0.00 0.82 0.00 0.00 66.70 67.11 3ii4 h VAL 94 Cb 0.72 -0.18 -0.01 0.00 -1.52 0.00 0.00 31.29 30.30 3ii4 h VAL 94 CO 0.05 0.23 -0.31 0.00 0.02 0.00 0.00 177.57 177.56 3ii4 h ALA 95 N 1.39 1.47 -0.04 1.67 0.00 -1.23 -2.13 119.26 120.38 3ii4 h ALA 95 Ca 0.38 -0.29 -0.10 0.00 0.00 0.00 0.00 54.91 54.90 3ii4 h ALA 95 Cb -0.04 -0.05 -0.01 0.00 0.00 0.00 0.00 17.79 17.68 3ii4 h ALA 95 CO -0.11 0.40 -0.43 0.78 0.00 0.00 0.00 179.25 179.89 3ii4 h GLY 96 N 0.95 0.10 0.85 0.00 0.00 -0.36 -2.46 103.07 102.14 3ii4 h GLY 96 Ca -0.00 -0.10 -0.02 0.00 0.00 0.00 0.00 47.33 47.22 3ii4 h GLY 96 CO 0.04 0.09 0.05 -2.08 0.00 0.00 0.00 176.54 174.64 3ii4 h VAL 97 N 0.08 1.20 -0.54 4.60 2.07 -0.61 -2.29 116.25 120.75 3ii4 h VAL 97 Ca 0.00 -0.62 -0.03 0.00 0.82 0.00 0.00 66.70 66.88 3ii4 h VAL 97 Cb 0.80 1.27 -0.03 0.00 -1.52 0.00 0.00 31.29 31.81 3ii4 h VAL 97 CO 0.06 0.19 0.21 0.45 0.02 0.00 0.00 177.57 178.50 3ii4 h HIS 98 N 0.10 0.78 0.24 1.57 3.86 -1.43 -1.79 115.15 118.48 3ii4 h HIS 98 Ca 0.06 -0.04 -0.01 0.00 -1.16 0.00 0.00 60.37 59.21 3ii4 h HIS 98 Cb 0.25 -0.24 0.00 0.00 1.06 0.00 0.00 27.41 28.48 3ii4 h HIS 98 CO 0.01 0.61 -0.11 0.35 0.86 0.00 0.00 177.93 179.64 3ii4 h PHE 99 N 0.77 -0.30 0.00 2.45 3.57 -1.26 -2.36 116.94 119.81 3ii4 h PHE 99 Ca 0.18 -0.01 -0.03 0.00 3.53 0.00 0.00 57.97 61.65 3ii4 h PHE 99 Cb 0.16 0.10 -0.00 0.00 2.79 0.00 0.00 35.95 39.00 3ii4 h PHE 99 CO 0.01 -0.14 -0.14 -0.07 -2.23 0.00 0.00 178.31 175.74 3ii4 h LEU 100 N -0.38 0.00 -0.20 0.59 3.38 -1.19 -1.06 115.31 116.45 3ii4 h LEU 100 Ca -0.03 0.00 -0.05 0.00 0.09 0.00 0.00 57.88 57.89 3ii4 h LEU 100 Cb 0.29 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.03 3ii4 h LEU 100 CO 0.05 0.14 -0.06 0.24 0.09 0.00 0.00 178.44 178.90 3ii4 h MET 101 N 0.00 0.40 -0.08 1.13 2.86 -0.99 -2.35 114.93 115.89 3ii4 h MET 101 Ca -0.00 -0.16 -0.03 0.00 -2.06 0.00 0.00 59.70 57.45 3ii4 h MET 101 Cb 0.28 -0.02 -0.00 0.00 0.06 0.00 0.00 31.60 31.92 3ii4 h MET 101 CO 0.02 0.66 -0.05 -0.22 1.06 0.00 0.00 176.91 178.38 3ii4 h LYS 102 N 0.11 0.17 -0.85 1.72 3.64 -1.14 0.28 116.57 120.50 3ii4 h LYS 102 Ca 0.05 -0.08 0.24 0.00 -1.27 0.00 0.00 60.65 59.59 3ii4 h LYS 102 Cb 0.52 -0.00 -0.04 0.00 -0.41 0.00 0.00 32.23 32.30 3ii4 h LYS 102 CO 0.02 0.57 0.61 -0.22 -2.27 0.00 0.00 179.45 178.15 3ii4 h LYS 103 N -0.22 0.05 -0.53 1.90 3.64 -1.22 0.36 116.57 120.54 3ii4 h LYS 103 Ca 0.02 -0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.39 3ii4 h LYS 103 Cb 0.52 -0.01 0.00 0.00 -0.41 0.00 0.00 32.23 32.33 3ii4 h LYS 103 CO 0.01 0.03 0.00 0.09 -2.27 0.00 0.00 179.45 177.31 3ii4 n ASN 104 N -4.31 4.51 -4.17 4.20 3.02 -0.89 -4.95 115.26 112.66 3ii4 n ASN 104 Ca 0.18 -2.56 -0.35 0.00 -0.03 0.00 0.00 54.58 51.81 3ii4 n ASN 104 Cb 0.89 -0.54 -0.02 0.00 -0.61 0.00 0.00 39.78 39.50 3ii4 n ASN 104 CO 0.00 0.00 0.00 0.29 -2.62 0.00 0.00 177.26 174.93 3ii4 n LYS 105 N 0.68 -3.52 -3.39 3.52 4.76 0.13 -4.89 118.16 115.46 3ii4 n LYS 105 Ca 0.23 0.41 -0.38 0.00 -2.87 0.00 0.00 58.31 55.70 3ii4 n LYS 105 Cb 0.87 -5.14 -0.06 0.00 -1.84 0.00 0.00 35.03 28.87 3ii4 n LYS 105 CO 0.00 0.00 0.00 0.42 -1.37 0.00 0.00 177.40 176.45 3ii4 s ILE 106 N -3.31 5.07 -0.08 -0.18 1.01 0.05 -4.77 121.20 118.98 3ii4 s ILE 106 Ca 0.71 0.93 -0.27 0.00 0.00 0.00 0.00 60.65 62.02 3ii4 s ILE 106 Cb -0.38 -3.78 -0.02 0.00 0.01 0.00 0.00 42.46 38.28 3ii4 s ILE 106 CO 0.91 0.45 0.90 -0.89 0.00 0.00 0.00 174.94 176.31 3ii4 s THR 107 N -0.25 4.88 -0.15 2.92 2.01 -0.62 -4.59 115.64 119.84 3ii4 s THR 107 Ca 0.25 1.83 -0.16 0.00 0.31 0.00 0.00 61.69 63.92 3ii4 s THR 107 Cb -0.16 -4.22 -0.04 0.00 0.01 0.00 0.00 72.50 68.09 3ii4 s THR 107 CO 0.12 0.10 0.40 -1.61 -0.69 0.00 0.00 174.62 172.95 3ii4 s GLU 108 N 1.51 4.27 -0.26 4.92 2.02 -1.26 -0.84 118.70 129.05 3ii4 s GLU 108 Ca 0.45 0.28 0.03 0.00 0.02 0.00 0.00 54.97 55.74 3ii4 s GLU 108 Cb -0.19 -3.46 0.06 0.00 0.10 0.00 0.00 34.13 30.64 3ii4 s GLU 108 CO 0.20 0.12 -0.11 0.42 0.02 0.00 0.00 175.26 175.91 3ii4 s ILE 109 N 0.78 2.20 -1.13 -1.63 1.01 -0.28 -4.96 121.20 117.20 3ii4 s ILE 109 Ca 0.21 -1.64 -0.17 0.00 0.00 0.00 0.00 60.65 59.06 3ii4 s ILE 109 Cb -0.14 -2.30 0.13 0.00 0.01 0.00 0.00 42.46 40.16 3ii4 s ILE 109 CO 0.08 -0.04 1.41 -1.00 0.00 0.00 0.00 174.94 175.39 3ii4 s HIS 110 N 1.10 3.16 0.02 3.97 3.76 -1.26 -1.89 115.29 124.16 3ii4 s HIS 110 Ca -0.09 -1.70 -0.09 0.00 -0.15 0.00 0.00 55.06 53.04 3ii4 s HIS 110 Cb -0.20 -4.43 0.03 0.00 1.11 0.00 0.00 32.58 29.09 3ii4 s HIS 110 CO -0.05 -1.55 0.39 0.41 -0.85 0.00 0.00 174.74 173.09 3ii4 n GLY 111 N 5.03 0.71 3.71 -2.22 0.00 -1.11 -0.52 105.19 110.78 3ii4 n GLY 111 Ca 0.35 -0.94 -0.35 0.00 0.00 0.00 0.00 46.02 45.08 3ii4 n GLY 111 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 3ii4 s TYR 112 N -3.48 3.29 -0.14 1.61 5.04 -0.39 -2.15 117.35 121.14 3ii4 s TYR 112 Ca 0.09 0.22 -0.06 0.00 -2.44 0.00 0.00 57.07 54.88 3ii4 s TYR 112 Cb -0.01 -1.93 -0.04 0.00 0.35 0.00 0.00 41.96 40.34 3ii4 s TYR 112 CO 0.01 0.41 0.07 0.20 -1.34 0.00 0.00 175.55 174.90 3ii4 s GLY 113 N -0.47 1.98 -0.06 8.97 0.00 -1.26 -0.90 107.32 115.58 3ii4 s GLY 113 Ca 0.10 -0.72 0.00 0.00 0.00 0.00 0.00 44.72 44.10 3ii4 s GLY 113 CO 0.02 -0.26 -0.04 -1.59 0.00 0.00 0.00 173.10 171.23 3ii4 s THR 114 N -0.44 0.61 0.28 0.90 2.01 0.11 -4.79 115.64 114.31 3ii4 s THR 114 Ca 0.10 -0.10 -0.29 0.00 0.31 0.00 0.00 61.69 61.70 3ii4 s THR 114 Cb -0.12 -0.67 -0.10 0.00 0.01 0.00 0.00 72.50 71.63 3ii4 s THR 114 CO 0.02 0.27 1.34 -0.36 -0.69 0.00 0.00 174.62 175.19 3ii4 s PHE 115 N 1.33 3.11 -0.07 4.92 0.40 -0.38 0.10 117.98 127.39 3ii4 s PHE 115 Ca -0.04 1.27 0.03 0.00 -0.60 0.00 0.00 56.93 57.60 3ii4 s PHE 115 Cb -0.14 -3.68 -0.07 0.00 0.51 0.00 0.00 43.02 39.64 3ii4 s PHE 115 CO -0.02 -2.03 -0.02 0.00 0.70 0.00 0.00 175.22 173.84 3ii4 n ALA 116 N 1.67 1.84 -3.45 5.36 0.00 -0.13 -4.59 120.51 121.20 3ii4 n ALA 116 Ca 0.03 -0.39 -0.07 0.00 0.00 0.00 0.00 53.44 53.01 3ii4 n ALA 116 Cb 0.42 0.20 -0.02 0.00 0.00 0.00 0.00 19.45 20.05 3ii4 n ALA 116 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.50 174.03 3ii4 n ASP 117 N -2.46 0.06 -0.06 0.00 4.64 -1.01 -4.76 116.55 112.95 3ii4 n ASP 117 Ca -0.12 -1.64 0.14 0.00 -1.38 0.00 0.00 54.79 51.79 3ii4 n ASP 117 Cb 0.68 0.45 0.59 0.00 -1.04 0.00 0.00 41.12 41.80 3ii4 n ASP 117 CO 0.00 0.00 0.00 0.00 -0.82 0.00 0.00 177.20 176.38 3ii4 n ALA 118 N -2.35 2.74 -1.38 -1.67 0.00 -1.26 -3.68 120.51 112.91 3ii4 n ALA 118 Ca -0.04 -0.23 0.00 0.00 0.00 0.00 0.00 53.44 53.17 3ii4 n ALA 118 Cb 0.18 -1.36 0.00 0.00 0.00 0.00 0.00 19.45 18.27 3ii4 n ALA 118 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 3ii4 n ASN 119 N -1.16 0.00 -4.04 0.00 4.13 -1.26 -4.96 115.26 107.97 3ii4 n ASN 119 Ca 0.12 -1.31 -0.24 0.00 1.68 0.00 0.00 54.58 54.83 3ii4 n ASN 119 Cb 0.29 -0.06 -0.16 0.00 -1.54 0.00 0.00 39.78 38.30 3ii4 n ASN 119 CO 0.00 0.00 0.00 -0.89 0.28 0.00 0.00 177.26 176.65 3ii4 s THR 120 N 0.00 1.10 -0.08 3.41 2.01 -1.24 -1.60 115.64 119.25 3ii4 s THR 120 Ca 0.00 -0.49 0.04 0.00 0.31 0.00 0.00 61.69 61.55 3ii4 s THR 120 Cb 0.00 -0.99 -0.01 0.00 0.01 0.00 0.00 72.50 71.51 3ii4 s THR 120 CO 0.00 0.34 -0.22 -0.22 -0.69 0.00 0.00 174.62 173.83 3ii4 s LEU 121 N 0.46 2.23 -0.25 4.42 2.96 0.51 -0.96 118.68 128.05 3ii4 s LEU 121 Ca -0.10 -0.47 -0.10 0.00 -0.22 0.00 0.00 54.13 53.24 3ii4 s LEU 121 Cb -0.14 -1.44 -0.05 0.00 0.50 0.00 0.00 46.19 45.07 3ii4 s LEU 121 CO 0.03 0.22 0.16 -0.76 -1.32 0.00 0.00 176.35 174.68 3ii4 s LEU 122 N -0.01 4.01 -0.17 -0.68 1.02 0.29 -1.59 118.68 121.55 3ii4 s LEU 122 Ca -0.07 0.04 -0.03 0.00 0.02 0.00 0.00 54.13 54.10 3ii4 s LEU 122 Cb -0.15 -2.09 -0.02 0.00 0.02 0.00 0.00 46.19 43.96 3ii4 s LEU 122 CO 0.05 0.02 -0.07 -0.69 0.02 0.00 0.00 176.35 175.68 3ii4 s VAL 123 N 1.32 3.43 -0.59 -1.59 1.01 0.10 0.06 120.40 124.13 3ii4 s VAL 123 Ca 0.07 -0.51 -0.18 0.00 0.00 0.00 0.00 61.98 61.36 3ii4 s VAL 123 Cb -0.14 -2.50 0.12 0.00 0.00 0.00 0.00 36.38 33.85 3ii4 s VAL 123 CO 0.07 0.48 0.65 -1.81 0.00 0.00 0.00 175.10 174.48 3ii4 s ASP 124 N 0.73 6.22 0.53 3.32 1.01 -0.08 -1.95 116.67 126.46 3ii4 s ASP 124 Ca -0.03 -1.63 -0.22 0.00 0.71 0.00 0.00 52.55 51.39 3ii4 s ASP 124 Cb -0.15 -2.27 -0.05 0.00 1.01 0.00 0.00 42.92 41.46 3ii4 s ASP 124 CO 0.02 -1.01 1.30 -0.76 0.21 0.00 0.00 175.17 174.93 3ii4 s LEU 125 N 2.21 3.86 0.50 1.23 1.43 -0.59 -1.27 118.68 126.05 3ii4 s LEU 125 Ca 0.09 2.62 0.21 0.00 -1.03 0.00 0.00 54.13 56.02 3ii4 s LEU 125 Cb -0.25 -4.31 1.29 0.00 0.03 0.00 0.00 46.19 42.94 3ii4 s LEU 125 CO 0.04 -1.44 2.07 0.78 0.23 0.00 0.00 176.35 178.03 3ii4 h ASN 126 N 1.50 0.00 0.56 2.29 2.35 -1.12 -1.30 115.58 119.87 3ii4 h ASN 126 Ca -0.50 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.25 3ii4 h ASN 126 Cb 1.29 0.00 0.00 0.00 0.05 0.00 0.00 38.32 39.66 3ii4 h ASN 126 CO 0.58 0.12 0.00 -0.90 -1.65 0.00 0.00 177.43 175.57 3ii4 n ASP 127 N -4.08 0.00 0.00 5.81 5.68 -1.26 -4.88 116.55 117.82 3ii4 n ASP 127 Ca -0.02 0.18 0.00 0.00 -0.50 0.00 0.00 54.79 54.44 3ii4 n ASP 127 Cb 0.20 -0.37 0.00 0.00 -1.14 0.00 0.00 41.12 39.81 3ii4 n ASP 127 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 3ii4 n GLY 128 N 0.68 2.51 3.60 6.12 0.00 -0.49 -5.09 105.19 112.53 3ii4 n GLY 128 Ca 0.09 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.81 3ii4 n GLY 128 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 3ii4 s GLY 129 N -2.35 1.58 -0.07 -0.02 0.00 -1.26 -4.78 107.32 100.42 3ii4 s GLY 129 Ca 0.00 -0.87 -0.03 0.00 0.00 0.00 0.00 44.72 43.82 3ii4 s GLY 129 CO 0.00 -0.02 0.13 -1.59 0.00 0.00 0.00 173.10 171.62 3ii4 s THR 130 N -2.99 -0.16 0.13 0.90 2.01 -1.26 -1.54 115.64 112.72 3ii4 s THR 130 Ca 0.70 0.30 0.03 0.00 0.31 0.00 0.00 61.69 63.03 3ii4 s THR 130 Cb -0.11 -0.24 -0.04 0.00 0.01 0.00 0.00 72.50 72.12 3ii4 s THR 130 CO 0.56 0.13 -0.07 -1.83 -0.69 0.00 0.00 174.62 172.72 3ii4 s GLU 131 N 1.84 0.95 0.18 4.92 -1.05 -0.82 -5.01 118.70 119.71 3ii4 s GLU 131 Ca -0.01 -1.40 0.08 0.00 -0.15 0.00 0.00 54.97 53.49 3ii4 s GLU 131 Cb -0.12 -0.37 -0.04 0.00 -0.44 0.00 0.00 34.13 33.15 3ii4 s GLU 131 CO -0.05 0.01 -0.06 0.45 0.95 0.00 0.00 175.26 176.56 3ii4 s SER 132 N -3.11 4.45 -0.13 0.83 0.15 -1.26 -0.72 113.70 113.92 3ii4 s SER 132 Ca 0.15 -0.51 -0.10 0.00 0.70 0.00 0.00 55.95 56.20 3ii4 s SER 132 Cb 0.04 -0.83 0.04 0.00 -1.71 0.00 0.00 66.02 63.56 3ii4 s SER 132 CO -0.02 0.10 0.33 -0.69 1.20 0.00 0.00 173.24 174.16 3ii4 s VAL 133 N -1.72 -0.01 0.33 4.45 1.01 -0.62 -4.81 120.40 119.03 3ii4 s VAL 133 Ca 0.26 0.05 0.07 0.00 0.00 0.00 0.00 61.98 62.36 3ii4 s VAL 133 Cb -0.09 -0.48 -0.02 0.00 0.00 0.00 0.00 36.38 35.79 3ii4 s VAL 133 CO 0.16 0.02 0.36 0.42 0.00 0.00 0.00 175.10 176.06 3ii4 s THR 134 N 0.71 3.86 0.07 3.92 -4.23 -0.74 -0.37 115.64 118.87 3ii4 s THR 134 Ca -0.04 -1.21 -0.26 0.00 -1.18 0.00 0.00 61.69 58.99 3ii4 s THR 134 Cb -0.06 -3.31 0.07 0.00 1.34 0.00 0.00 72.50 70.55 3ii4 s THR 134 CO -0.05 -0.18 0.66 0.72 -0.54 0.00 0.00 174.62 175.23 3ii4 s PHE 135 N -2.23 -0.56 -0.11 3.99 -0.12 -0.63 -2.01 117.98 116.32 3ii4 s PHE 135 Ca 0.42 0.58 0.17 0.00 -0.05 0.00 0.00 56.93 58.04 3ii4 s PHE 135 Cb -0.07 0.51 -0.21 0.00 -0.63 0.00 0.00 43.02 42.61 3ii4 s PHE 135 CO 0.28 -0.73 0.54 -0.25 -0.05 0.00 0.00 175.22 175.01 3ii4 n ASP 136 N 0.07 0.54 -3.96 1.98 8.00 -0.96 -4.68 116.55 117.55 3ii4 n ASP 136 Ca -0.17 0.25 -0.10 0.00 0.71 0.00 0.00 54.79 55.48 3ii4 n ASP 136 Cb 0.62 0.50 -0.12 0.00 -0.02 0.00 0.00 41.12 42.11 3ii4 n ASP 136 CO 0.00 0.00 0.00 0.20 -0.39 0.00 0.00 177.20 177.01 3ii4 s ASN 137 N -5.66 0.23 0.00 -2.24 0.01 0.45 -4.81 114.94 102.92 3ii4 s ASN 137 Ca -0.06 -0.38 0.01 0.00 -0.71 0.00 0.00 52.86 51.72 3ii4 s ASN 137 Cb 0.08 0.07 -0.00 0.00 0.41 0.00 0.00 41.25 41.81 3ii4 s ASN 137 CO 0.83 -0.22 -0.02 0.00 -1.51 0.00 0.00 177.10 176.18 3ii4 s ALA 138 N -1.09 0.18 -0.19 0.60 0.00 -0.50 -1.74 121.76 119.02 3ii4 s ALA 138 Ca -0.12 -0.15 -0.00 0.00 0.00 0.00 0.00 51.96 51.69 3ii4 s ALA 138 Cb -0.08 -0.02 0.01 0.00 0.00 0.00 0.00 23.12 23.03 3ii4 s ALA 138 CO -0.01 0.02 -0.15 0.42 0.00 0.00 0.00 175.76 176.05 3ii4 s ILE 139 N -0.21 2.49 -0.43 0.00 1.01 -0.12 -0.14 121.20 123.80 3ii4 s ILE 139 Ca -0.01 -0.80 -0.17 0.00 0.00 0.00 0.00 60.65 59.67 3ii4 s ILE 139 Cb -0.02 -2.08 0.03 0.00 0.01 0.00 0.00 42.46 40.40 3ii4 s ILE 139 CO -0.00 0.50 0.42 -0.63 0.00 0.00 0.00 174.94 175.23 3ii4 s ILE 140 N 1.30 5.11 -0.49 2.92 1.01 0.14 -0.99 121.20 130.20 3ii4 s ILE 140 Ca 0.04 -0.45 0.08 0.00 0.00 0.00 0.00 60.65 60.32 3ii4 s ILE 140 Cb -0.14 -4.04 0.35 0.00 0.01 0.00 0.00 42.46 38.64 3ii4 s ILE 140 CO -0.09 -0.44 0.87 0.00 0.00 0.00 0.00 174.94 175.29 3ii4 n ALA 141 N 5.53 3.65 1.50 9.38 0.00 -0.17 -1.26 120.51 139.13 3ii4 n ALA 141 Ca -0.08 -4.16 0.08 0.00 0.00 0.00 0.00 53.44 49.27 3ii4 n ALA 141 Cb 0.47 -0.80 0.33 0.00 0.00 0.00 0.00 19.45 19.44 3ii4 n ALA 141 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.50 177.75 3ii4 n THR 142 N -0.05 0.17 -3.90 0.00 -2.24 -1.23 -4.22 114.28 102.81 3ii4 n THR 142 Ca 0.28 -0.22 0.00 0.00 -2.27 0.00 0.00 64.05 61.84 3ii4 n THR 142 Cb 0.51 0.10 0.00 0.00 -2.10 0.00 0.00 70.33 68.84 3ii4 n THR 142 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3ii4 n GLY 143 N 0.93 0.88 3.38 3.38 0.00 -1.26 -4.49 105.19 108.01 3ii4 n GLY 143 Ca 0.12 -0.80 -0.20 0.00 0.00 0.00 0.00 46.02 45.15 3ii4 n GLY 143 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3ii4 s SER 144 N -4.00 1.79 0.25 1.61 1.04 -1.26 -0.06 113.70 113.07 3ii4 s SER 144 Ca 0.00 -1.49 0.05 0.00 0.48 0.00 0.00 55.95 54.99 3ii4 s SER 144 Cb 0.00 0.24 -0.05 0.00 0.10 0.00 0.00 66.02 66.31 3ii4 s SER 144 CO 0.00 -0.79 -0.02 -0.44 0.98 0.00 0.00 173.24 172.97 3ii4 s SER 145 N -3.41 2.23 0.16 7.02 0.01 0.66 -4.78 113.70 115.58 3ii4 s SER 145 Ca 0.35 -1.21 -0.31 0.00 1.31 0.00 0.00 55.95 56.08 3ii4 s SER 145 Cb 0.06 -0.07 -0.09 0.00 0.21 0.00 0.00 66.02 66.13 3ii4 s SER 145 CO 0.15 -0.45 1.47 -0.89 0.41 0.00 0.00 173.24 173.94 3ii4 s THR 146 N -3.25 2.90 -0.42 1.44 2.01 -1.26 -0.42 115.64 116.63 3ii4 s THR 146 Ca 0.29 0.66 -0.19 0.00 0.31 0.00 0.00 61.69 62.77 3ii4 s THR 146 Cb 0.05 -3.42 0.02 0.00 0.01 0.00 0.00 72.50 69.16 3ii4 s THR 146 CO 0.10 0.06 0.52 -0.60 -0.69 0.00 0.00 174.62 174.01 3ii4 s ARG 147 N 0.84 3.22 0.50 4.92 3.52 -0.59 -4.78 118.95 126.57 3ii4 s ARG 147 Ca 0.66 -0.56 -0.21 0.00 -0.13 0.00 0.00 55.73 55.49 3ii4 s ARG 147 Cb -0.41 -3.95 -0.07 0.00 -1.56 0.00 0.00 34.95 28.97 3ii4 s ARG 147 CO 0.33 -0.89 1.11 -0.51 -0.81 0.00 0.00 175.30 174.53 3ii4 s LEU 148 N 2.42 3.86 0.24 -0.88 1.43 -1.26 -4.37 118.68 120.11 3ii4 s LEU 148 Ca 0.17 2.13 -0.31 0.00 -1.03 0.00 0.00 54.13 55.09 3ii4 s LEU 148 Cb -0.16 -4.48 -0.11 0.00 0.03 0.00 0.00 46.19 41.47 3ii4 s LEU 148 CO 0.16 -1.00 1.64 -0.69 0.23 0.00 0.00 176.35 176.69 3ii4 s VAL 149 N -1.77 2.15 -0.23 -1.59 1.01 -1.26 -4.82 120.40 113.89 3ii4 s VAL 149 Ca 0.68 0.11 -0.43 0.00 0.00 0.00 0.00 61.98 62.35 3ii4 s VAL 149 Cb -0.23 -3.07 -0.19 0.00 0.00 0.00 0.00 36.38 32.89 3ii4 s VAL 149 CO 0.27 0.01 1.38 -2.65 0.00 0.00 0.00 175.10 174.11 3ii4 n PRO 150 N 3.22 0.19 -0.30 2.72 -0.02 -1.26 -1.05 135.00 138.51 3ii4 n PRO 150 Ca 0.12 0.07 0.00 0.00 -2.02 0.00 0.00 63.50 61.67 3ii4 n PRO 150 Cb 0.37 -1.60 0.00 0.00 -0.02 0.00 0.00 33.50 32.25 3ii4 n PRO 150 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3ii4 n GLY 151 N 2.88 2.12 3.99 -1.23 0.00 -1.26 -4.92 105.19 106.76 3ii4 n GLY 151 Ca 0.25 0.00 -0.19 0.00 0.00 0.00 0.00 46.02 46.09 3ii4 n GLY 151 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 3ii4 s THR 152 N -3.19 2.67 0.21 2.61 -4.23 -0.21 -4.97 115.64 108.54 3ii4 s THR 152 Ca 0.00 -1.07 -0.10 0.00 -1.18 0.00 0.00 61.69 59.34 3ii4 s THR 152 Cb 0.00 -2.74 -0.01 0.00 1.34 0.00 0.00 72.50 71.09 3ii4 s THR 152 CO 0.00 0.00 0.37 -0.94 -0.54 0.00 0.00 174.62 173.51 3ii4 s SER 153 N -4.40 -0.02 0.53 3.99 1.04 -1.26 -4.79 113.70 108.79 3ii4 s SER 153 Ca 0.55 -0.96 -0.10 0.00 0.48 0.00 0.00 55.95 55.92 3ii4 s SER 153 Cb -0.08 0.51 -0.05 0.00 0.10 0.00 0.00 66.02 66.50 3ii4 s SER 153 CO 0.33 -1.01 0.91 -0.76 0.98 0.00 0.00 173.24 173.69 3ii4 s LEU 154 N -3.02 3.49 0.00 2.42 1.43 -1.26 -4.89 118.68 116.86 3ii4 s LEU 154 Ca 0.23 1.26 -0.08 0.00 -1.03 0.00 0.00 54.13 54.50 3ii4 s LEU 154 Cb 0.02 -4.24 0.03 0.00 0.03 0.00 0.00 46.19 42.03 3ii4 s LEU 154 CO 0.06 -0.67 0.39 -1.54 0.23 0.00 0.00 176.35 174.82 3ii4 n SER 155 N -2.22 -0.69 -0.30 2.29 3.41 -0.38 -4.93 113.62 110.81 3ii4 n SER 155 Ca 0.04 -1.38 0.12 0.00 -0.26 0.00 0.00 58.87 57.39 3ii4 n SER 155 Cb 0.54 1.13 0.26 0.00 -0.26 0.00 0.00 64.21 65.88 3ii4 n SER 155 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3ii4 h ALA 156 N 2.00 1.15 -0.15 7.33 0.00 -1.99 -2.34 119.26 125.27 3ii4 h ALA 156 Ca -0.11 0.26 0.00 0.00 0.00 0.00 0.00 54.91 55.06 3ii4 h ALA 156 Cb 0.46 0.40 0.00 0.00 0.00 0.00 0.00 17.79 18.66 3ii4 h ALA 156 CO 0.14 -0.49 0.00 0.09 0.00 0.00 0.00 179.25 178.99 3ii4 n ASN 157 N -5.31 2.26 -4.06 0.00 3.02 -1.26 -4.82 115.26 105.07 3ii4 n ASN 157 Ca 0.20 -1.68 -0.34 0.00 -0.03 0.00 0.00 54.58 52.73 3ii4 n ASN 157 Cb 0.66 -0.09 -0.12 0.00 -0.61 0.00 0.00 39.78 39.61 3ii4 n ASN 157 CO 0.00 0.00 0.00 -0.69 -2.62 0.00 0.00 177.26 173.95 3ii4 s VAL 158 N -0.88 3.02 0.49 2.41 1.01 -0.88 -1.21 120.40 124.35 3ii4 s VAL 158 Ca 0.15 -2.51 0.05 0.00 0.00 0.00 0.00 61.98 59.67 3ii4 s VAL 158 Cb 0.09 -3.08 -0.01 0.00 0.00 0.00 0.00 36.38 33.38 3ii4 s VAL 158 CO 0.12 -0.72 0.23 0.68 0.00 0.00 0.00 175.10 175.41 3ii4 s VAL 159 N 0.62 1.76 0.58 2.92 -7.23 -0.80 -1.24 120.40 117.00 3ii4 s VAL 159 Ca 0.12 -1.68 0.08 0.00 -1.81 0.00 0.00 61.98 58.68 3ii4 s VAL 159 Cb -0.22 -2.45 0.08 0.00 0.56 0.00 0.00 36.38 34.35 3ii4 s VAL 159 CO -0.04 0.00 0.65 0.42 -0.31 0.00 0.00 175.10 175.82 3ii4 s THR 160 N -2.74 1.79 0.50 5.32 -4.23 -1.26 -1.53 115.64 113.50 3ii4 s THR 160 Ca 0.29 -1.22 0.17 0.00 -1.18 0.00 0.00 61.69 59.76 3ii4 s THR 160 Cb 0.01 -2.01 0.31 0.00 1.34 0.00 0.00 72.50 72.15 3ii4 s THR 160 CO 0.17 0.00 2.08 0.10 -0.54 0.00 0.00 174.62 176.43 3ii4 h TYR 161 N 0.36 0.11 0.53 3.99 -0.00 -1.98 -2.87 116.97 117.10 3ii4 h TYR 161 Ca -0.32 0.00 -0.02 0.00 0.00 0.00 0.00 58.73 58.39 3ii4 h TYR 161 Cb 1.30 -0.04 -0.00 0.00 0.00 0.00 0.00 36.73 37.99 3ii4 h TYR 161 CO 0.71 0.06 -0.32 1.49 -0.00 0.00 0.00 178.16 180.10 3ii4 h GLU 162 N 0.11 -0.76 -0.56 0.10 4.81 -1.94 0.58 114.58 116.93 3ii4 h GLU 162 Ca 0.11 0.05 0.07 0.00 -0.13 0.00 0.00 59.36 59.46 3ii4 h GLU 162 Cb 0.31 0.17 -0.06 0.00 0.63 0.00 0.00 28.75 29.81 3ii4 h GLU 162 CO -0.01 -0.51 0.24 0.93 -0.73 0.00 0.00 179.01 178.93 3ii4 h GLU 163 N -0.79 0.44 0.05 1.92 3.07 -1.93 -1.07 114.58 116.27 3ii4 h GLU 163 Ca -0.07 -0.03 -0.00 0.00 -0.50 0.00 0.00 59.36 58.76 3ii4 h GLU 163 Cb 0.63 -0.10 -0.00 0.00 -0.84 0.00 0.00 28.75 28.44 3ii4 h GLU 163 CO 0.08 0.29 -0.03 0.37 -1.40 0.00 0.00 179.01 178.32 3ii4 h GLN 164 N 0.45 -0.08 0.00 2.33 5.75 -1.44 -2.33 115.11 119.79 3ii4 h GLN 164 Ca 0.26 0.01 -0.03 0.00 -0.15 0.00 0.00 58.65 58.74 3ii4 h GLN 164 Cb 0.25 0.02 -0.00 0.00 1.07 0.00 0.00 27.48 28.81 3ii4 h GLN 164 CO -0.23 -0.05 -0.15 0.97 -2.65 0.00 0.00 178.83 176.72 3ii4 h ILE 165 N -0.08 0.41 -0.44 2.39 2.10 -0.61 -2.17 117.51 119.10 3ii4 h ILE 165 Ca -0.00 -0.85 0.00 0.00 1.08 0.00 0.00 64.86 65.09 3ii4 h ILE 165 Cb 0.07 1.61 0.00 0.00 -1.09 0.00 0.00 36.82 37.41 3ii4 h ILE 165 CO 0.00 0.14 0.00 0.18 -1.08 0.00 0.00 178.15 177.40 3ii4 n LEU 166 N -3.35 2.57 -4.64 2.19 4.77 -0.43 -4.85 117.00 113.26 3ii4 n LEU 166 Ca -0.00 -1.25 -0.39 0.00 -0.03 0.00 0.00 56.01 54.34 3ii4 n LEU 166 Cb 0.36 -0.29 -0.08 0.00 -2.33 0.00 0.00 43.42 41.08 3ii4 n LEU 166 CO 0.31 0.62 0.17 -0.55 -1.33 0.00 0.00 177.39 176.61 3ii4 s SER 167 N -1.12 6.42 0.21 -1.43 0.15 -0.82 -4.94 113.70 112.16 3ii4 s SER 167 Ca 0.33 0.50 0.13 0.00 0.70 0.00 0.00 55.95 57.61 3ii4 s SER 167 Cb 0.18 -2.25 -0.04 0.00 -1.71 0.00 0.00 66.02 62.20 3ii4 s SER 167 CO 0.24 -0.19 1.32 -0.09 1.20 0.00 0.00 173.24 175.72 3ii4 h ARG 168 N 7.78 0.00 -6.11 5.44 2.43 -1.89 -3.45 114.38 118.58 3ii4 h ARG 168 Ca -0.32 0.00 -0.59 0.00 -0.81 0.00 0.00 59.98 58.26 3ii4 h ARG 168 Cb 1.15 0.00 -0.04 0.00 -0.42 0.00 0.00 29.97 30.66 3ii4 h ARG 168 CO 0.70 0.61 -0.32 -1.21 -1.51 0.00 0.00 179.97 178.25 3ii4 s GLU 169 N -2.88 3.62 0.11 0.20 8.01 -1.26 -4.31 118.70 122.19 3ii4 s GLU 169 Ca 0.02 -0.07 0.06 0.00 0.01 0.00 0.00 54.97 54.99 3ii4 s GLU 169 Cb 0.08 -2.91 -0.04 0.00 -4.31 0.00 0.00 34.13 26.96 3ii4 s GLU 169 CO 0.77 0.51 -0.02 -0.51 0.01 0.00 0.00 175.26 176.02 3ii4 s LEU 170 N -2.44 3.34 0.74 1.80 1.43 -1.26 -5.13 118.68 117.16 3ii4 s LEU 170 Ca 0.38 -0.26 -0.08 0.00 -1.03 0.00 0.00 54.13 53.14 3ii4 s LEU 170 Cb -0.13 -2.07 0.08 0.00 0.03 0.00 0.00 46.19 44.10 3ii4 s LEU 170 CO 0.23 0.16 1.06 -2.16 0.23 0.00 0.00 176.35 175.87 3ii4 s PRO 171 N -2.40 1.99 0.13 1.29 0.04 -1.26 -4.99 135.00 129.79 3ii4 s PRO 171 Ca 0.25 -0.29 0.11 0.00 0.04 0.00 0.00 61.00 61.12 3ii4 s PRO 171 Cb -0.11 -2.13 -0.13 0.00 0.04 0.00 0.00 34.50 32.18 3ii4 s PRO 171 CO 0.17 -1.40 1.16 -0.22 0.04 0.00 0.00 177.00 176.75 3ii4 h LYS 172 N -0.74 0.00 -3.42 4.56 3.64 -1.95 -3.44 116.57 115.22 3ii4 h LYS 172 Ca -0.44 0.00 -0.08 0.00 -1.27 0.00 0.00 60.65 58.86 3ii4 h LYS 172 Cb 1.31 0.00 -0.15 0.00 -0.41 0.00 0.00 32.23 32.98 3ii4 h LYS 172 CO 0.58 0.68 -0.20 -1.54 -2.27 0.00 0.00 179.45 176.69 3ii4 s SER 173 N -6.41 -0.12 0.02 4.20 1.04 -1.26 -1.59 113.70 109.58 3ii4 s SER 173 Ca 0.00 -0.32 -0.23 0.00 0.48 0.00 0.00 55.95 55.88 3ii4 s SER 173 Cb 0.09 0.40 0.05 0.00 0.10 0.00 0.00 66.02 66.66 3ii4 s SER 173 CO 0.80 -0.73 0.53 -0.51 0.98 0.00 0.00 173.24 174.31 3ii4 s ILE 174 N -3.27 0.03 -0.06 -1.02 2.07 0.15 -2.91 121.20 116.19 3ii4 s ILE 174 Ca -0.00 -0.22 0.04 0.00 -1.41 0.00 0.00 60.65 59.06 3ii4 s ILE 174 Cb 0.01 -0.94 -0.00 0.00 0.13 0.00 0.00 42.46 41.66 3ii4 s ILE 174 CO -0.08 -0.12 -0.20 -0.63 -1.91 0.00 0.00 174.94 171.99 3ii4 s ILE 175 N -2.07 1.72 -0.15 2.00 1.01 -0.58 -2.08 121.20 121.05 3ii4 s ILE 175 Ca -0.07 -0.86 0.00 0.00 0.00 0.00 0.00 60.65 59.72 3ii4 s ILE 175 Cb -0.01 -1.48 -0.00 0.00 0.01 0.00 0.00 42.46 40.97 3ii4 s ILE 175 CO 0.01 0.49 -0.15 -0.63 0.00 0.00 0.00 174.94 174.66 3ii4 s ILE 176 N 0.15 2.75 -0.51 2.92 1.01 0.14 -0.40 121.20 127.26 3ii4 s ILE 176 Ca -0.09 -0.74 -0.19 0.00 0.00 0.00 0.00 60.65 59.63 3ii4 s ILE 176 Cb -0.14 -2.16 0.06 0.00 0.01 0.00 0.00 42.46 40.23 3ii4 s ILE 176 CO 0.05 0.51 0.62 0.00 0.00 0.00 0.00 174.94 176.12 3ii4 s ALA 177 N 0.76 3.40 0.00 9.38 0.00 -0.02 0.05 121.76 135.33 3ii4 s ALA 177 Ca -0.06 -1.83 0.00 0.00 0.00 0.00 0.00 51.96 50.07 3ii4 s ALA 177 Cb -0.15 -3.35 0.00 0.00 0.00 0.00 0.00 23.12 19.61 3ii4 s ALA 177 CO 0.01 -2.03 0.00 0.41 0.00 0.00 0.00 175.76 174.15 3ii4 n GLY 178 N 5.19 3.05 2.19 0.00 0.00 0.44 -1.46 105.19 114.59 3ii4 n GLY 178 Ca -0.07 -0.99 -0.29 0.00 0.00 0.00 0.00 46.02 44.67 3ii4 n GLY 178 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3ii4 n ALA 179 N 0.00 5.89 -1.96 4.61 0.00 -1.26 -4.35 120.51 123.44 3ii4 n ALA 179 Ca 0.00 -2.91 -0.27 0.00 0.00 0.00 0.00 53.44 50.26 3ii4 n ALA 179 Cb 0.00 -1.63 0.17 0.00 0.00 0.00 0.00 19.45 18.00 3ii4 n ALA 179 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.50 177.70 3ii4 s GLY 180 N -1.23 1.79 0.16 0.00 0.00 -1.26 -0.86 107.32 105.91 3ii4 s GLY 180 Ca 0.55 -1.55 -0.17 0.00 0.00 0.00 0.00 44.72 43.55 3ii4 s GLY 180 CO 0.01 -0.80 1.71 0.00 0.00 0.00 0.00 173.10 174.02 3ii4 h ALA 181 N -1.31 0.33 -0.13 3.20 0.00 -1.95 -0.63 119.26 118.76 3ii4 h ALA 181 Ca -0.40 0.09 0.04 0.00 0.00 0.00 0.00 54.91 54.64 3ii4 h ALA 181 Cb 1.23 0.16 -0.04 0.00 0.00 0.00 0.00 17.79 19.13 3ii4 h ALA 181 CO 0.34 -0.39 -0.13 0.82 0.00 0.00 0.00 179.25 179.88 3ii4 h ILE 182 N 0.11 0.63 -0.40 0.00 2.04 -1.93 0.17 117.51 118.13 3ii4 h ILE 182 Ca 0.17 0.00 -0.01 0.00 1.00 0.00 0.00 64.86 66.02 3ii4 h ILE 182 Cb 0.23 0.63 -0.02 0.00 -0.74 0.00 0.00 36.82 36.92 3ii4 h ILE 182 CO -0.27 0.00 0.21 1.23 0.00 0.00 0.00 178.15 179.31 3ii4 h GLY 183 N -0.16 0.60 0.95 5.37 0.00 -1.70 -1.92 103.07 106.22 3ii4 h GLY 183 Ca 0.09 -0.28 0.02 0.00 0.00 0.00 0.00 47.33 47.16 3ii4 h GLY 183 CO -0.23 0.27 0.63 -0.33 0.00 0.00 0.00 176.54 176.88 3ii4 h MET 184 N 0.51 1.21 -0.61 4.80 2.86 -0.76 -0.18 114.93 122.77 3ii4 h MET 184 Ca 0.14 -0.07 -0.06 0.00 -2.06 0.00 0.00 59.70 57.65 3ii4 h MET 184 Cb 0.08 -0.27 -0.02 0.00 0.06 0.00 0.00 31.60 31.44 3ii4 h MET 184 CO -0.02 0.80 0.15 0.93 1.06 0.00 0.00 176.91 179.83 3ii4 h GLU 185 N 1.25 0.97 -0.56 1.72 5.08 -0.34 -0.56 114.58 122.14 3ii4 h GLU 185 Ca 0.36 -0.23 -0.07 0.00 -1.00 0.00 0.00 59.36 58.42 3ii4 h GLU 185 Cb -0.09 -0.13 -0.02 0.00 0.50 0.00 0.00 28.75 29.01 3ii4 h GLU 185 CO -0.10 0.89 0.07 0.74 -1.00 0.00 0.00 179.01 179.62 3ii4 h PHE 186 N 0.88 0.95 -0.82 4.33 -1.00 -0.83 -1.80 116.94 118.65 3ii4 h PHE 186 Ca 0.19 -0.12 -0.04 0.00 2.81 0.00 0.00 57.97 60.82 3ii4 h PHE 186 Cb 0.35 -0.26 -0.04 0.00 3.61 0.00 0.00 35.95 39.61 3ii4 h PHE 186 CO 0.03 0.82 0.36 0.78 -1.61 0.00 0.00 178.31 178.69 3ii4 h GLY 187 N 1.00 1.28 0.89 -1.45 0.00 -0.55 -0.52 103.07 103.73 3ii4 h GLY 187 Ca 0.17 -0.66 -0.02 0.00 0.00 0.00 0.00 47.33 46.82 3ii4 h GLY 187 CO 0.01 0.63 -0.18 -1.82 0.00 0.00 0.00 176.54 175.18 3ii4 h TYR 188 N 1.18 -0.47 0.66 5.60 3.20 -0.59 -1.19 116.97 125.36 3ii4 h TYR 188 Ca 0.28 -0.01 -0.03 0.00 3.14 0.00 0.00 58.73 62.11 3ii4 h TYR 188 Cb 0.16 0.16 -0.01 0.00 1.54 0.00 0.00 36.73 38.58 3ii4 h TYR 188 CO 0.02 -0.23 -0.46 0.28 -1.64 0.00 0.00 178.16 176.13 3ii4 h VAL 189 N -0.63 0.09 -0.63 1.81 2.07 -1.21 -2.36 116.25 115.40 3ii4 h VAL 189 Ca -0.05 0.00 0.07 0.00 0.82 0.00 0.00 66.70 67.54 3ii4 h VAL 189 Cb 0.46 0.09 -0.06 0.00 -1.52 0.00 0.00 31.29 30.26 3ii4 h VAL 189 CO 0.09 0.00 0.30 -0.07 0.02 0.00 0.00 177.57 177.91 3ii4 h LEU 190 N -1.07 0.40 -0.44 2.57 3.38 -1.14 -2.45 115.31 116.56 3ii4 h LEU 190 Ca -0.08 0.05 -0.01 0.00 0.09 0.00 0.00 57.88 57.93 3ii4 h LEU 190 Cb 0.88 -0.02 -0.02 0.00 0.09 0.00 0.00 40.66 41.59 3ii4 h LEU 190 CO 0.05 0.25 0.25 0.50 0.09 0.00 0.00 178.44 179.59 3ii4 h LYS 191 N 0.55 0.61 0.00 1.13 1.63 -1.17 -1.26 116.57 118.06 3ii4 h LYS 191 Ca 0.30 -0.06 -0.01 0.00 -0.85 0.00 0.00 60.65 60.02 3ii4 h LYS 191 Cb 0.27 -0.12 -0.00 0.00 -0.60 0.00 0.00 32.23 31.78 3ii4 h LYS 191 CO -0.23 0.47 -0.04 -0.91 -3.45 0.00 0.00 179.45 175.29 3ii4 h ASN 192 N 0.58 0.00 -0.46 4.20 2.35 -1.00 -0.76 115.58 120.50 3ii4 h ASN 192 Ca 0.16 0.00 -0.03 0.00 -0.55 0.00 0.00 56.30 55.87 3ii4 h ASN 192 Cb 0.03 0.00 -0.02 0.00 0.05 0.00 0.00 38.32 38.38 3ii4 h ASN 192 CO -0.03 0.04 0.04 -1.22 -1.65 0.00 0.00 177.43 174.61 3ii4 n TYR 193 N -3.75 1.63 -1.38 1.19 4.02 -0.69 -4.85 117.16 113.32 3ii4 n TYR 193 Ca -0.03 -0.63 -0.03 0.00 -0.01 0.00 0.00 57.90 57.21 3ii4 n TYR 193 Cb 0.13 -0.44 -0.01 0.00 -0.02 0.00 0.00 39.34 39.00 3ii4 n TYR 193 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 3ii4 n GLY 194 N 0.37 0.50 3.84 2.72 0.00 -0.29 -5.05 105.19 107.28 3ii4 n GLY 194 Ca 0.23 -0.89 -0.37 0.00 0.00 0.00 0.00 46.02 44.99 3ii4 n GLY 194 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3ii4 s VAL 195 N -2.12 5.32 -0.01 1.61 1.01 -0.56 -4.97 120.40 120.68 3ii4 s VAL 195 Ca 0.00 0.45 -0.30 0.00 0.00 0.00 0.00 61.98 62.13 3ii4 s VAL 195 Cb 0.00 -3.53 -0.06 0.00 0.00 0.00 0.00 36.38 32.79 3ii4 s VAL 195 CO 0.00 0.57 1.47 -1.81 0.00 0.00 0.00 175.10 175.33 3ii4 s ASP 196 N -0.78 6.79 -0.11 3.32 1.01 -0.62 -4.16 116.67 122.11 3ii4 s ASP 196 Ca 0.18 2.16 0.03 0.00 0.71 0.00 0.00 52.55 55.63 3ii4 s ASP 196 Cb -0.14 -2.55 0.01 0.00 1.01 0.00 0.00 42.92 41.25 3ii4 s ASP 196 CO 0.07 -0.78 -0.20 -0.69 0.21 0.00 0.00 175.17 173.77 3ii4 s VAL 197 N 2.79 1.86 -0.08 -1.27 1.01 -1.26 -0.67 120.40 122.78 3ii4 s VAL 197 Ca 0.66 -0.88 0.01 0.00 0.00 0.00 0.00 61.98 61.77 3ii4 s VAL 197 Cb -0.32 -1.65 0.02 0.00 0.00 0.00 0.00 36.38 34.43 3ii4 s VAL 197 CO 0.27 0.51 -0.10 -0.89 0.00 0.00 0.00 175.10 174.90 3ii4 s THR 198 N 0.67 1.04 -0.17 3.92 2.01 -0.89 -1.84 115.64 120.38 3ii4 s THR 198 Ca -0.12 -0.38 0.01 0.00 0.31 0.00 0.00 61.69 61.51 3ii4 s THR 198 Cb -0.16 -1.00 0.01 0.00 0.01 0.00 0.00 72.50 71.36 3ii4 s THR 198 CO 0.02 0.35 -0.18 -0.63 -0.69 0.00 0.00 174.62 173.49 3ii4 s ILE 199 N 1.07 2.32 -0.21 1.82 1.01 0.28 0.26 121.20 127.75 3ii4 s ILE 199 Ca -0.07 -0.87 -0.08 0.00 0.00 0.00 0.00 60.65 59.64 3ii4 s ILE 199 Cb -0.14 -1.98 -0.04 0.00 0.01 0.00 0.00 42.46 40.31 3ii4 s ILE 199 CO -0.01 0.52 0.07 -0.69 0.00 0.00 0.00 174.94 174.84 3ii4 s VAL 200 N 1.13 4.66 -0.11 2.92 1.01 0.11 -0.25 120.40 129.87 3ii4 s VAL 200 Ca 0.01 -0.07 0.02 0.00 0.00 0.00 0.00 61.98 61.93 3ii4 s VAL 200 Cb -0.14 -3.13 0.02 0.00 0.00 0.00 0.00 36.38 33.12 3ii4 s VAL 200 CO -0.07 0.40 -0.14 -0.70 0.00 0.00 0.00 175.10 174.59 3ii4 s GLU 201 N 0.87 2.11 0.10 2.72 2.56 0.71 -0.42 118.70 127.36 3ii4 s GLU 201 Ca 0.04 -0.52 -0.21 0.00 0.00 0.00 0.00 54.97 54.27 3ii4 s GLU 201 Cb -0.14 -1.82 -0.11 0.00 2.00 0.00 0.00 34.13 34.06 3ii4 s GLU 201 CO 0.03 -0.07 1.74 0.35 -0.56 0.00 0.00 175.26 176.74 3ii4 h PHE 202 N 7.45 0.14 -4.25 5.30 3.57 -1.76 -0.72 116.94 126.67 3ii4 h PHE 202 Ca -0.31 0.00 -0.51 0.00 3.53 0.00 0.00 57.97 60.68 3ii4 h PHE 202 Cb 1.17 -0.05 0.12 0.00 2.79 0.00 0.00 35.95 39.98 3ii4 h PHE 202 CO 0.48 0.11 0.35 -0.51 -2.23 0.00 0.00 178.31 176.51 3ii4 s LEU 203 N -10.13 3.23 0.50 0.59 1.43 -1.26 -2.84 118.68 110.20 3ii4 s LEU 203 Ca -0.13 1.95 0.34 0.00 -1.03 0.00 0.00 54.13 55.26 3ii4 s LEU 203 Cb 0.07 -4.54 1.78 0.00 0.03 0.00 0.00 46.19 43.53 3ii4 s LEU 203 CO 0.68 -1.87 2.04 1.55 0.23 0.00 0.00 176.35 178.97 3ii4 h PRO 204 N -0.51 0.00 -5.29 1.29 0.13 -1.90 0.52 132.00 126.23 3ii4 h PRO 204 Ca -0.45 0.00 -0.39 0.00 -0.87 0.00 0.00 66.00 64.29 3ii4 h PRO 204 Cb 1.24 0.00 -0.14 0.00 0.13 0.00 0.00 31.00 32.23 3ii4 h PRO 204 CO 0.52 0.00 -0.71 1.03 -0.23 0.00 0.00 178.00 178.61 3ii4 s ARG 205 N -3.83 1.22 0.38 0.86 0.52 -1.26 -4.51 118.95 112.34 3ii4 s ARG 205 Ca -0.03 -1.55 -0.09 0.00 -0.52 0.00 0.00 55.73 53.54 3ii4 s ARG 205 Cb 0.10 -0.85 -0.06 0.00 0.52 0.00 0.00 34.95 34.66 3ii4 s ARG 205 CO 0.34 0.10 0.73 0.00 0.02 0.00 0.00 175.30 176.49 3ii4 s ALA 206 N -3.18 3.40 -1.38 2.13 0.00 -1.26 -3.90 121.76 117.57 3ii4 s ALA 206 Ca 0.21 -0.28 -0.03 0.00 0.00 0.00 0.00 51.96 51.87 3ii4 s ALA 206 Cb 0.02 -2.62 0.00 0.00 0.00 0.00 0.00 23.12 20.51 3ii4 s ALA 206 CO 0.04 0.04 0.45 1.28 0.00 0.00 0.00 175.76 177.57 3ii4 n LEU 207 N -1.23 -2.23 0.18 0.00 4.77 -0.04 -4.55 117.00 113.91 3ii4 n LEU 207 Ca 0.02 -1.02 0.15 0.00 -0.03 0.00 0.00 56.01 55.13 3ii4 n LEU 207 Cb 0.54 -2.22 0.56 0.00 -2.33 0.00 0.00 43.42 39.97 3ii4 n LEU 207 CO 0.48 0.44 1.13 1.55 -1.33 0.00 0.00 177.39 179.67 3ii4 h PRO 208 N -1.86 0.00 0.00 3.23 0.13 -1.79 0.16 132.00 131.87 3ii4 h PRO 208 Ca -0.64 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.49 3ii4 h PRO 208 Cb 1.37 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.50 3ii4 h PRO 208 CO 0.61 0.00 -0.23 0.09 -0.23 0.00 0.00 178.00 178.24 3ii4 n ASN 209 N -3.07 0.49 -3.91 1.44 5.03 -1.26 -4.88 115.26 109.09 3ii4 n ASN 209 Ca 0.05 0.31 -0.24 0.00 0.87 0.00 0.00 54.58 55.57 3ii4 n ASN 209 Cb 0.76 -0.31 0.15 0.00 -1.02 0.00 0.00 39.78 39.37 3ii4 n ASN 209 CO 0.00 0.00 0.00 -0.62 -1.83 0.00 0.00 177.26 174.81 3ii4 n GLU 210 N -1.86 -0.72 -2.58 3.52 -0.58 0.54 -4.99 120.64 113.96 3ii4 n GLU 210 Ca 0.05 -2.06 -0.39 0.00 -0.42 0.00 0.00 57.16 54.35 3ii4 n GLU 210 Cb 0.39 -0.98 -0.05 0.00 -0.57 0.00 0.00 31.44 30.23 3ii4 n GLU 210 CO 0.00 0.00 0.00 0.34 -0.48 0.00 0.00 177.13 176.99 3ii4 s ASP 211 N -5.05 7.20 0.37 1.62 -1.08 -1.26 -4.87 116.67 113.59 3ii4 s ASP 211 Ca 0.64 2.10 0.15 0.00 -0.52 0.00 0.00 52.55 54.92 3ii4 s ASP 211 Cb -0.02 -2.61 1.03 0.00 -1.46 0.00 0.00 42.92 39.86 3ii4 s ASP 211 CO 0.44 -0.18 1.74 0.00 0.52 0.00 0.00 175.17 177.70 3ii4 h ALA 212 N 3.43 2.07 -0.32 3.66 0.00 -1.94 0.17 119.26 126.33 3ii4 h ALA 212 Ca -0.47 0.09 -0.07 0.00 0.00 0.00 0.00 54.91 54.46 3ii4 h ALA 212 Cb 1.21 0.04 -0.02 0.00 0.00 0.00 0.00 17.79 19.02 3ii4 h ALA 212 CO 0.66 -0.52 -0.10 -0.44 0.00 0.00 0.00 179.25 178.84 3ii4 h ASP 213 N 0.45 0.52 -0.23 0.00 3.32 -1.99 -1.09 116.42 117.40 3ii4 h ASP 213 Ca 0.63 -0.13 -0.13 0.00 0.02 0.00 0.00 57.03 57.42 3ii4 h ASP 213 Cb 1.45 -0.14 -0.00 0.00 0.22 0.00 0.00 39.33 40.86 3ii4 h ASP 213 CO -0.38 0.66 -0.36 0.58 -1.72 0.00 0.00 179.24 178.02 3ii4 h VAL 214 N 0.50 1.32 -0.51 -1.35 2.07 -1.07 -1.78 116.25 115.42 3ii4 h VAL 214 Ca 0.09 -1.57 -0.00 0.00 0.82 0.00 0.00 66.70 66.05 3ii4 h VAL 214 Cb 0.48 1.77 -0.02 0.00 -1.52 0.00 0.00 31.29 32.00 3ii4 h VAL 214 CO 0.03 0.49 0.32 0.28 0.02 0.00 0.00 177.57 178.70 3ii4 h SER 215 N 0.35 0.61 -0.10 0.57 0.02 -1.04 -0.17 113.55 113.79 3ii4 h SER 215 Ca 0.02 -0.05 -0.00 0.00 -0.84 0.00 0.00 61.79 60.92 3ii4 h SER 215 Cb 0.95 -0.15 -0.00 0.00 0.14 0.00 0.00 62.40 63.33 3ii4 h SER 215 CO 0.08 0.47 0.06 0.50 -1.14 0.00 0.00 176.83 176.80 3ii4 h LYS 216 N 0.69 0.13 -0.67 3.45 3.64 -1.15 -1.81 116.57 120.84 3ii4 h LYS 216 Ca 0.18 -0.01 -0.04 0.00 -1.27 0.00 0.00 60.65 59.51 3ii4 h LYS 216 Cb -0.03 -0.03 -0.03 0.00 -0.41 0.00 0.00 32.23 31.73 3ii4 h LYS 216 CO -0.04 0.14 0.27 1.49 -2.27 0.00 0.00 179.45 179.04 3ii4 h GLU 217 N 0.09 1.01 -0.23 1.90 4.57 -1.09 -2.46 114.58 118.37 3ii4 h GLU 217 Ca 0.03 -0.18 -0.12 0.00 -1.18 0.00 0.00 59.36 57.91 3ii4 h GLU 217 Cb 0.04 -0.16 -0.01 0.00 -0.16 0.00 0.00 28.75 28.45 3ii4 h GLU 217 CO -0.01 0.83 -0.38 0.97 -1.18 0.00 0.00 179.01 179.25 3ii4 h ILE 218 N 0.95 1.30 -0.44 2.32 6.09 -0.95 -2.67 117.51 124.11 3ii4 h ILE 218 Ca 0.23 -1.52 -0.08 0.00 -1.37 0.00 0.00 64.86 62.11 3ii4 h ILE 218 Cb 0.20 1.54 -0.02 0.00 0.47 0.00 0.00 36.82 39.01 3ii4 h ILE 218 CO -0.02 0.48 -0.06 -0.33 -3.07 0.00 0.00 178.15 175.15 3ii4 h GLU 219 N 0.43 0.76 0.21 2.19 5.08 -1.15 -2.04 114.58 120.05 3ii4 h GLU 219 Ca 0.04 -0.23 -0.01 0.00 -1.00 0.00 0.00 59.36 58.17 3ii4 h GLU 219 Cb 0.86 -0.08 0.00 0.00 0.50 0.00 0.00 28.75 30.03 3ii4 h GLU 219 CO 0.07 0.81 -0.10 -0.22 -1.00 0.00 0.00 179.01 178.57 3ii4 h LYS 220 N 0.70 -0.27 -0.18 2.33 3.64 -1.22 -1.84 116.57 119.73 3ii4 h LYS 220 Ca 0.13 0.02 -0.03 0.00 -1.27 0.00 0.00 60.65 59.50 3ii4 h LYS 220 Cb 0.51 0.06 -0.01 0.00 -0.41 0.00 0.00 32.23 32.38 3ii4 h LYS 220 CO 0.03 -0.06 -0.03 1.96 -2.27 0.00 0.00 179.45 179.07 3ii4 h GLN 221 N -0.44 0.26 -0.05 1.90 4.20 -1.39 -1.51 115.11 118.09 3ii4 h GLN 221 Ca -0.03 -0.04 -0.14 0.00 0.06 0.00 0.00 58.65 58.50 3ii4 h GLN 221 Cb 0.33 -0.04 -0.01 0.00 0.30 0.00 0.00 27.48 28.06 3ii4 h GLN 221 CO 0.05 0.32 -0.60 0.74 -0.67 0.00 0.00 178.83 178.67 3ii4 h PHE 222 N 0.26 0.20 -0.13 2.96 -1.00 -1.26 -1.37 116.94 116.61 3ii4 h PHE 222 Ca 0.06 -0.08 -0.15 0.00 2.81 0.00 0.00 57.97 60.61 3ii4 h PHE 222 Cb 0.23 -0.04 -0.01 0.00 3.61 0.00 0.00 35.95 39.75 3ii4 h PHE 222 CO 0.00 0.72 -0.56 -0.22 -1.61 0.00 0.00 178.31 176.64 3ii4 h LYS 223 N 0.12 0.38 -0.01 1.51 3.64 -0.47 -0.48 116.57 121.26 3ii4 h LYS 223 Ca -0.01 -0.24 -0.11 0.00 -1.27 0.00 0.00 60.65 59.02 3ii4 h LYS 223 Cb 1.09 0.03 -0.02 0.00 -0.41 0.00 0.00 32.23 32.92 3ii4 h LYS 223 CO 0.09 0.84 -0.52 0.87 -2.27 0.00 0.00 179.45 178.46 3ii4 h LYS 224 N 0.29 0.03 0.00 1.90 1.79 -1.10 -2.41 116.57 117.08 3ii4 h LYS 224 Ca 0.00 -0.02 -0.06 0.00 -2.18 0.00 0.00 60.65 58.39 3ii4 h LYS 224 Cb 1.07 0.00 -0.01 0.00 -1.58 0.00 0.00 32.23 31.72 3ii4 h LYS 224 CO 0.10 0.54 -0.30 1.25 -1.08 0.00 0.00 179.45 179.96 3ii4 h LEU 225 N 0.03 0.00 0.00 2.94 6.46 -0.81 -3.46 115.31 120.46 3ii4 h LEU 225 Ca -0.00 0.00 0.00 0.00 -0.12 0.00 0.00 57.88 57.76 3ii4 h LEU 225 Cb 0.92 0.00 0.00 0.00 -0.73 0.00 0.00 40.66 40.85 3ii4 h LEU 225 CO 0.07 0.30 0.00 0.61 -0.62 0.00 0.00 178.44 178.80 3ii4 n GLY 226 N -0.12 1.18 3.66 3.75 0.00 -0.89 -4.97 105.19 107.79 3ii4 n GLY 226 Ca -0.01 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.61 3ii4 n GLY 226 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3ii4 s VAL 227 N -2.00 5.02 -0.30 1.61 1.01 -0.24 -4.75 120.40 120.75 3ii4 s VAL 227 Ca 0.00 1.21 -0.24 0.00 0.00 0.00 0.00 61.98 62.96 3ii4 s VAL 227 Cb 0.00 -3.95 -0.00 0.00 0.00 0.00 0.00 36.38 32.42 3ii4 s VAL 227 CO 0.00 0.11 0.79 -0.89 0.00 0.00 0.00 175.10 175.12 3ii4 s THR 228 N 1.87 4.80 -0.14 3.92 2.01 -0.77 -4.02 115.64 123.31 3ii4 s THR 228 Ca 0.29 1.24 -0.00 0.00 0.31 0.00 0.00 61.69 63.53 3ii4 s THR 228 Cb -0.16 -4.14 -0.01 0.00 0.01 0.00 0.00 72.50 68.20 3ii4 s THR 228 CO 0.11 -0.22 -0.12 -0.63 -0.69 0.00 0.00 174.62 173.06 3ii4 s ILE 229 N 2.94 3.06 -0.32 1.82 1.01 -1.26 -0.56 121.20 127.89 3ii4 s ILE 229 Ca 0.33 -0.65 -0.03 0.00 0.00 0.00 0.00 60.65 60.30 3ii4 s ILE 229 Cb -0.14 -2.29 0.06 0.00 0.01 0.00 0.00 42.46 40.09 3ii4 s ILE 229 CO 0.12 0.52 0.05 -0.76 0.00 0.00 0.00 174.94 174.86 3ii4 s LEU 230 N 0.48 4.16 0.40 2.97 1.43 0.66 -4.96 118.68 123.81 3ii4 s LEU 230 Ca -0.09 -1.35 0.06 0.00 -1.03 0.00 0.00 54.13 51.71 3ii4 s LEU 230 Cb -0.16 -1.76 0.00 0.00 0.03 0.00 0.00 46.19 44.31 3ii4 s LEU 230 CO 0.04 -0.31 0.56 0.42 0.23 0.00 0.00 176.35 177.29 3ii4 s THR 231 N 1.26 3.63 -1.13 5.49 -4.23 -1.26 -0.21 115.64 119.19 3ii4 s THR 231 Ca -0.03 -0.90 -0.02 0.00 -1.18 0.00 0.00 61.69 59.57 3ii4 s THR 231 Cb -0.20 -3.27 0.01 0.00 1.34 0.00 0.00 72.50 70.38 3ii4 s THR 231 CO -0.01 -0.12 0.11 0.00 -0.54 0.00 0.00 174.62 174.06 3ii4 n ALA 232 N -1.83 -0.83 -3.39 3.99 0.00 0.17 -4.89 120.51 113.73 3ii4 n ALA 232 Ca 0.03 0.11 -0.32 0.00 0.00 0.00 0.00 53.44 53.26 3ii4 n ALA 232 Cb 0.58 -1.85 -0.17 0.00 0.00 0.00 0.00 19.45 18.02 3ii4 n ALA 232 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.50 178.49 3ii4 s THR 233 N -2.70 2.13 -0.23 0.00 2.01 -0.48 -4.53 115.64 111.85 3ii4 s THR 233 Ca 0.08 -0.98 -0.08 0.00 0.31 0.00 0.00 61.69 61.02 3ii4 s THR 233 Cb -0.04 -1.83 -0.04 0.00 0.01 0.00 0.00 72.50 70.60 3ii4 s THR 233 CO 0.10 0.55 0.09 -0.75 -0.69 0.00 0.00 174.62 173.93 3ii4 s LYS 234 N 0.54 3.87 -0.26 4.92 2.20 -0.36 -2.43 119.74 128.21 3ii4 s LYS 234 Ca -0.14 -0.38 -0.29 0.00 -0.36 0.00 0.00 55.97 54.80 3ii4 s LYS 234 Cb -0.17 -3.35 -0.01 0.00 -1.51 0.00 0.00 37.83 32.79 3ii4 s LYS 234 CO 0.04 0.02 1.38 0.08 -0.36 0.00 0.00 175.35 176.51 3ii4 s VAL 235 N 1.09 4.04 -0.17 4.02 1.01 -1.26 -0.57 120.40 128.56 3ii4 s VAL 235 Ca 0.05 1.19 -0.23 0.00 0.00 0.00 0.00 61.98 62.98 3ii4 s VAL 235 Cb -0.14 -4.01 -0.23 0.00 0.00 0.00 0.00 36.38 32.00 3ii4 s VAL 235 CO 0.04 -0.38 0.47 -0.08 0.00 0.00 0.00 175.10 175.15 3ii4 h GLU 236 N 9.49 0.04 -3.33 2.72 4.57 -1.14 -3.48 114.58 123.45 3ii4 h GLU 236 Ca -0.28 -0.06 -0.04 0.00 -1.18 0.00 0.00 59.36 57.80 3ii4 h GLU 236 Cb 1.11 0.02 -0.12 0.00 -0.16 0.00 0.00 28.75 29.61 3ii4 h GLU 236 CO 1.02 1.03 -0.01 -1.54 -1.18 0.00 0.00 179.01 178.33 3ii4 s SER 237 N -6.65 -0.27 -0.10 1.04 1.04 -0.96 -4.92 113.70 102.88 3ii4 s SER 237 Ca -0.24 -0.38 -0.00 0.00 0.48 0.00 0.00 55.95 55.81 3ii4 s SER 237 Cb 0.02 0.53 0.02 0.00 0.10 0.00 0.00 66.02 66.70 3ii4 s SER 237 CO 0.65 -0.96 -0.06 -0.63 0.98 0.00 0.00 173.24 173.23 3ii4 s ILE 238 N -3.84 0.86 -0.31 -1.02 1.01 -1.26 -0.88 121.20 115.77 3ii4 s ILE 238 Ca 0.06 -0.20 -0.01 0.00 0.00 0.00 0.00 60.65 60.50 3ii4 s ILE 238 Cb 0.00 -0.91 0.06 0.00 0.01 0.00 0.00 42.46 41.62 3ii4 s ILE 238 CO -0.08 0.34 0.01 0.00 0.00 0.00 0.00 174.94 175.21 3ii4 s ALA 239 N 1.68 2.83 -0.55 9.38 0.00 0.11 -4.87 121.76 130.34 3ii4 s ALA 239 Ca 0.03 -1.86 -0.27 0.00 0.00 0.00 0.00 51.96 49.86 3ii4 s ALA 239 Cb -0.13 -1.96 0.03 0.00 0.00 0.00 0.00 23.12 21.07 3ii4 s ALA 239 CO -0.07 -1.33 1.10 0.34 0.00 0.00 0.00 175.76 175.80 3ii4 s ASP 240 N 1.29 6.44 -0.32 0.00 3.68 -1.26 -0.91 116.67 125.59 3ii4 s ASP 240 Ca -0.04 0.03 0.10 0.00 2.13 0.00 0.00 52.55 54.77 3ii4 s ASP 240 Cb -0.20 -2.51 0.66 0.00 -1.45 0.00 0.00 42.92 39.41 3ii4 s ASP 240 CO -0.02 -1.36 1.70 0.61 0.13 0.00 0.00 175.17 176.24 3ii4 n GLY 241 N 5.04 4.10 5.19 2.66 0.00 -0.99 -5.00 105.19 116.20 3ii4 n GLY 241 Ca 0.07 -1.07 0.00 0.00 0.00 0.00 0.00 46.02 45.02 3ii4 n GLY 241 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3ii4 n GLY 242 N -0.56 1.89 0.14 -0.02 0.00 -1.26 -4.17 105.19 101.21 3ii4 n GLY 242 Ca 0.40 0.02 -0.15 0.00 0.00 0.00 0.00 46.02 46.28 3ii4 n GLY 242 CO 0.00 0.00 0.00 1.76 0.00 0.00 0.00 173.32 175.08 3ii4 h SER 243 N 0.00 0.46 -4.69 1.61 0.02 -1.94 -3.46 113.55 105.55 3ii4 h SER 243 Ca 0.00 -0.66 -0.22 0.00 -0.84 0.00 0.00 61.79 60.07 3ii4 h SER 243 Cb 0.00 -0.14 -0.22 0.00 0.14 0.00 0.00 62.40 62.18 3ii4 h SER 243 CO 0.00 1.05 -0.72 0.00 -1.14 0.00 0.00 176.83 176.02 3ii4 s GLN 244 N -3.58 0.34 -0.15 3.45 -2.07 -1.26 -4.69 119.66 111.70 3ii4 s GLN 244 Ca -0.14 -0.54 -0.07 0.00 -1.82 0.00 0.00 55.36 52.78 3ii4 s GLN 244 Cb 0.04 -0.05 -0.04 0.00 -1.09 0.00 0.00 33.01 31.86 3ii4 s GLN 244 CO 0.79 -0.00 0.11 0.08 -1.32 0.00 0.00 175.29 174.95 3ii4 s VAL 245 N -1.16 5.25 -0.22 3.63 1.01 0.23 -2.35 120.40 126.79 3ii4 s VAL 245 Ca -0.11 0.12 -0.05 0.00 0.00 0.00 0.00 61.98 61.94 3ii4 s VAL 245 Cb -0.08 -3.32 -0.02 0.00 0.00 0.00 0.00 36.38 32.96 3ii4 s VAL 245 CO -0.00 0.54 -0.01 -0.89 0.00 0.00 0.00 175.10 174.74 3ii4 s THR 246 N -0.42 3.71 -0.32 3.92 2.01 -0.08 -2.25 115.64 122.21 3ii4 s THR 246 Ca 0.11 -0.38 -0.07 0.00 0.31 0.00 0.00 61.69 61.66 3ii4 s THR 246 Cb -0.12 -2.70 0.02 0.00 0.01 0.00 0.00 72.50 69.72 3ii4 s THR 246 CO 0.02 0.40 0.09 -0.69 -0.69 0.00 0.00 174.62 173.75 3ii4 s VAL 247 N 1.42 3.89 -0.12 3.82 1.01 0.18 0.10 120.40 130.70 3ii4 s VAL 247 Ca 0.05 -0.89 -0.24 0.00 0.00 0.00 0.00 61.98 60.90 3ii4 s VAL 247 Cb -0.15 -3.10 -0.03 0.00 0.00 0.00 0.00 36.38 33.11 3ii4 s VAL 247 CO -0.00 -0.04 0.75 -0.89 0.00 0.00 0.00 175.10 174.91 3ii4 s THR 248 N 1.46 4.98 0.14 3.92 2.01 -0.06 -0.48 115.64 127.61 3ii4 s THR 248 Ca 0.01 1.49 0.04 0.00 0.31 0.00 0.00 61.69 63.55 3ii4 s THR 248 Cb -0.18 -4.07 -0.04 0.00 0.01 0.00 0.00 72.50 68.21 3ii4 s THR 248 CO 0.03 0.15 -0.10 0.54 -0.69 0.00 0.00 174.62 174.54 3ii4 s VAL 249 N 1.46 1.16 -0.20 3.82 0.11 0.30 -0.51 120.40 126.53 3ii4 s VAL 249 Ca 0.37 -2.05 0.02 0.00 -2.93 0.00 0.00 61.98 57.39 3ii4 s VAL 249 Cb -0.17 -1.83 0.04 0.00 -1.53 0.00 0.00 36.38 32.88 3ii4 s VAL 249 CO 0.15 -0.74 -0.15 -0.89 -3.33 0.00 0.00 175.10 170.14 3ii4 s THR 250 N -3.31 1.98 -0.06 5.04 2.01 0.27 -1.04 115.64 120.53 3ii4 s THR 250 Ca 0.16 -1.14 0.00 0.00 0.31 0.00 0.00 61.69 61.03 3ii4 s THR 250 Cb 0.02 -1.93 0.02 0.00 0.01 0.00 0.00 72.50 70.63 3ii4 s THR 250 CO 0.00 0.29 -0.03 -0.75 -0.69 0.00 0.00 174.62 173.45 3ii4 s LYS 251 N 1.27 0.82 -1.17 4.92 2.20 -0.80 -1.23 119.74 125.75 3ii4 s LYS 251 Ca -0.00 -0.05 -0.02 0.00 -0.36 0.00 0.00 55.97 55.53 3ii4 s LYS 251 Cb -0.16 -0.93 -0.02 0.00 -1.51 0.00 0.00 37.83 35.21 3ii4 s LYS 251 CO -0.10 -0.16 0.93 -0.25 -0.36 0.00 0.00 175.35 175.41 3ii4 n ASP 252 N 4.43 -3.27 -1.53 1.43 8.00 -1.26 -2.44 116.55 121.90 3ii4 n ASP 252 Ca -0.19 -0.69 -0.13 0.00 0.71 0.00 0.00 54.79 54.49 3ii4 n ASP 252 Cb 0.51 -4.94 -0.05 0.00 -0.02 0.00 0.00 41.12 36.62 3ii4 n ASP 252 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 3ii4 n GLY 253 N -1.24 0.99 2.99 0.44 0.00 -1.26 -4.94 105.19 102.18 3ii4 n GLY 253 Ca -0.23 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.58 3ii4 n GLY 253 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3ii4 s VAL 254 N -2.18 0.86 -0.06 1.61 1.01 -1.02 -5.13 120.40 115.49 3ii4 s VAL 254 Ca 0.00 -0.36 -0.23 0.00 0.00 0.00 0.00 61.98 61.38 3ii4 s VAL 254 Cb 0.00 -0.78 -0.04 0.00 0.00 0.00 0.00 36.38 35.56 3ii4 s VAL 254 CO 0.00 0.28 0.70 0.00 0.00 0.00 0.00 175.10 176.08 3ii4 s ALA 255 N 0.43 3.34 0.08 5.51 0.00 -1.26 -1.90 121.76 127.95 3ii4 s ALA 255 Ca -0.08 0.14 -0.01 0.00 0.00 0.00 0.00 51.96 52.01 3ii4 s ALA 255 Cb -0.12 -2.95 -0.04 0.00 0.00 0.00 0.00 23.12 20.01 3ii4 s ALA 255 CO 0.01 -0.08 -0.00 1.14 0.00 0.00 0.00 175.76 176.83 3ii4 s GLN 256 N 0.71 0.71 0.09 0.00 -2.07 -0.21 -4.99 119.66 113.91 3ii4 s GLN 256 Ca 0.37 -1.29 0.05 0.00 -1.82 0.00 0.00 55.36 52.68 3ii4 s GLN 256 Cb -0.18 0.22 -0.04 0.00 -1.09 0.00 0.00 33.01 31.92 3ii4 s GLN 256 CO 0.18 -0.16 -0.01 -1.21 -1.32 0.00 0.00 175.29 172.78 3ii4 s GLU 257 N -3.96 2.51 0.00 9.60 2.02 -1.26 -0.54 118.70 127.07 3ii4 s GLU 257 Ca 0.12 -0.85 0.05 0.00 0.02 0.00 0.00 54.97 54.31 3ii4 s GLU 257 Cb 0.08 -2.52 -0.02 0.00 0.10 0.00 0.00 34.13 31.77 3ii4 s GLU 257 CO -0.06 0.54 -0.17 -0.51 0.02 0.00 0.00 175.26 175.07 3ii4 s LEU 258 N -2.30 2.07 -0.00 1.80 1.43 0.37 -4.95 118.68 117.10 3ii4 s LEU 258 Ca 0.25 -0.35 0.03 0.00 -1.03 0.00 0.00 54.13 53.03 3ii4 s LEU 258 Cb -0.12 -0.84 -0.01 0.00 0.03 0.00 0.00 46.19 45.25 3ii4 s LEU 258 CO 0.18 0.18 -0.10 -0.54 0.23 0.00 0.00 176.35 176.29 3ii4 s LYS 259 N -0.60 0.81 0.27 1.70 1.02 -1.26 0.48 119.74 122.16 3ii4 s LYS 259 Ca 0.06 -0.41 -0.21 0.00 0.02 0.00 0.00 55.97 55.44 3ii4 s LYS 259 Cb -0.07 -0.78 0.05 0.00 -0.52 0.00 0.00 37.83 36.51 3ii4 s LYS 259 CO -0.00 0.21 0.83 0.00 -0.92 0.00 0.00 175.35 175.47 3ii4 s ALA 260 N -0.33 -1.24 0.02 5.17 0.00 -0.95 -4.94 121.76 119.49 3ii4 s ALA 260 Ca 0.03 -0.33 -0.17 0.00 0.00 0.00 0.00 51.96 51.48 3ii4 s ALA 260 Cb -0.04 0.74 -0.28 0.00 0.00 0.00 0.00 23.12 23.54 3ii4 s ALA 260 CO -0.00 -1.03 1.07 0.93 0.00 0.00 0.00 175.76 176.72 3ii4 h GLU 261 N 2.00 0.52 -5.64 0.00 5.08 -1.82 0.67 114.58 115.39 3ii4 h GLU 261 Ca -0.25 -0.68 -0.46 0.00 -1.00 0.00 0.00 59.36 56.97 3ii4 h GLU 261 Cb 1.24 0.22 -0.17 0.00 0.50 0.00 0.00 28.75 30.54 3ii4 h GLU 261 CO 0.30 1.29 -0.76 0.15 -1.00 0.00 0.00 179.01 178.99 3ii4 s LYS 262 N -2.95 1.20 -0.06 2.33 1.02 -1.15 -4.31 119.74 115.82 3ii4 s LYS 262 Ca -0.11 -1.41 0.01 0.00 0.02 0.00 0.00 55.97 54.48 3ii4 s LYS 262 Cb 0.04 -1.12 0.02 0.00 -0.52 0.00 0.00 37.83 36.26 3ii4 s LYS 262 CO 0.89 0.21 -0.06 0.54 -0.92 0.00 0.00 175.35 176.01 3ii4 s VAL 263 N -2.37 0.68 -0.23 3.17 0.11 -0.35 -1.53 120.40 119.88 3ii4 s VAL 263 Ca 0.15 -0.18 -0.09 0.00 -2.93 0.00 0.00 61.98 58.93 3ii4 s VAL 263 Cb -0.04 -0.70 -0.05 0.00 -1.53 0.00 0.00 36.38 34.07 3ii4 s VAL 263 CO 0.05 0.27 0.13 -0.22 -3.33 0.00 0.00 175.10 172.00 3ii4 s LEU 264 N 1.09 3.96 -0.46 2.54 2.96 0.46 -1.91 118.68 127.32 3ii4 s LEU 264 Ca -0.08 0.06 -0.18 0.00 -0.22 0.00 0.00 54.13 53.71 3ii4 s LEU 264 Cb -0.14 -2.05 0.05 0.00 0.50 0.00 0.00 46.19 44.54 3ii4 s LEU 264 CO -0.01 0.07 0.51 -1.10 -1.32 0.00 0.00 176.35 174.51 3ii4 s GLN 265 N 1.00 3.09 -0.39 1.98 -0.21 -0.58 -0.84 119.66 123.71 3ii4 s GLN 265 Ca 0.06 -0.91 0.11 0.00 0.02 0.00 0.00 55.36 54.64 3ii4 s GLN 265 Cb -0.14 -4.05 0.36 0.00 1.00 0.00 0.00 33.01 30.18 3ii4 s GLN 265 CO 0.04 -1.04 0.93 0.00 -2.12 0.00 0.00 175.29 173.10 3ii4 n ALA 266 N 5.77 1.22 0.07 6.09 0.00 -0.53 -4.50 120.51 128.63 3ii4 n ALA 266 Ca -0.08 -2.58 0.07 0.00 0.00 0.00 0.00 53.44 50.85 3ii4 n ALA 266 Cb 0.46 -1.01 -0.04 0.00 0.00 0.00 0.00 19.45 18.86 3ii4 n ALA 266 CO 0.00 0.00 0.00 0.44 0.00 0.00 0.00 177.50 177.94 3ii4 n ILE 267 N 0.19 0.82 -3.83 0.00 -5.35 -1.00 -4.32 119.36 105.88 3ii4 n ILE 267 Ca 0.15 -0.60 0.04 0.00 -0.27 0.00 0.00 62.75 62.06 3ii4 n ILE 267 Cb 0.71 -0.48 0.01 0.00 -1.74 0.00 0.00 39.64 38.13 3ii4 n ILE 267 CO 0.00 0.00 0.00 -0.83 -1.76 0.00 0.00 176.55 173.96 3ii4 s GLY 268 N -4.54 -0.33 -0.05 3.28 0.00 -1.26 -4.97 107.32 99.44 3ii4 s GLY 268 Ca -0.02 0.49 -0.01 0.00 0.00 0.00 0.00 44.72 45.18 3ii4 s GLY 268 CO 0.80 3.90 0.02 -1.36 0.00 0.00 0.00 173.10 176.46 3ii4 s PHE 269 N -2.03 0.41 -0.02 1.90 0.40 -1.26 -1.54 117.98 115.84 3ii4 s PHE 269 Ca 0.25 -0.01 -0.16 0.00 -0.60 0.00 0.00 56.93 56.41 3ii4 s PHE 269 Cb 0.03 -0.61 -0.05 0.00 0.51 0.00 0.00 43.02 42.90 3ii4 s PHE 269 CO -0.04 -0.23 0.42 0.00 0.70 0.00 0.00 175.22 176.07 3ii4 s ALA 270 N 1.73 3.65 0.22 5.36 0.00 0.43 -4.80 121.76 128.36 3ii4 s ALA 270 Ca 0.00 -0.21 -0.32 0.00 0.00 0.00 0.00 51.96 51.44 3ii4 s ALA 270 Cb -0.13 -2.44 -0.12 0.00 0.00 0.00 0.00 23.12 20.43 3ii4 s ALA 270 CO -0.03 0.38 1.69 -2.30 0.00 0.00 0.00 175.76 175.50 3ii4 n PRO 271 N 2.19 2.72 -1.93 0.00 -0.02 -1.26 -0.25 135.00 136.45 3ii4 n PRO 271 Ca -0.13 0.98 -0.40 0.00 -2.02 0.00 0.00 63.50 61.93 3ii4 n PRO 271 Cb 0.52 -2.81 -0.03 0.00 -0.02 0.00 0.00 33.50 31.17 3ii4 n PRO 271 CO 0.00 0.00 0.00 -0.80 1.98 0.00 0.00 175.50 176.68 3ii4 s ASN 272 N 1.02 5.44 0.00 2.55 0.02 0.91 -4.75 114.94 120.13 3ii4 s ASN 272 Ca 0.73 0.97 0.00 0.00 -1.02 0.00 0.00 52.86 53.54 3ii4 s ASN 272 Cb -0.52 -2.52 0.00 0.00 0.02 0.00 0.00 41.25 38.23 3ii4 s ASN 272 CO 0.36 -2.13 0.07 1.33 0.02 0.00 0.00 177.10 176.75 3ii4 n VAL 273 N 7.45 0.00 -4.33 1.60 0.24 -1.26 -4.82 118.33 117.20 3ii4 n VAL 273 Ca 0.24 -0.35 -0.24 0.00 -2.04 0.00 0.00 64.34 61.95 3ii4 n VAL 273 Cb 0.50 1.06 -0.08 0.00 -1.47 0.00 0.00 33.84 33.84 3ii4 n VAL 273 CO 0.00 0.00 0.00 -1.83 -2.14 0.00 0.00 176.83 172.86 3ii4 s GLU 274 N -0.56 2.08 0.00 7.34 -1.05 -1.26 -4.66 118.70 120.59 3ii4 s GLU 274 Ca 0.00 -1.68 0.00 0.00 -0.15 0.00 0.00 54.97 53.14 3ii4 s GLU 274 Cb 0.00 -1.96 0.00 0.00 -0.44 0.00 0.00 34.13 31.73 3ii4 s GLU 274 CO 0.00 0.20 0.00 0.41 0.95 0.00 0.00 175.26 176.82 3ii4 n GLY 275 N -0.91 1.29 1.11 -3.83 0.00 -1.26 -4.89 105.19 96.69 3ii4 n GLY 275 Ca -0.05 0.00 0.05 0.00 0.00 0.00 0.00 46.02 46.02 3ii4 n GLY 275 CO 0.00 0.00 0.00 1.58 0.00 0.00 0.00 173.32 174.90 3ii4 n TYR 276 N -2.00 0.03 -3.55 1.61 0.18 -1.26 -4.97 117.16 107.20 3ii4 n TYR 276 Ca 0.00 -0.98 -0.20 0.00 1.88 0.00 0.00 57.90 58.60 3ii4 n TYR 276 Cb 0.00 -0.20 0.07 0.00 -0.38 0.00 0.00 39.34 38.84 3ii4 n TYR 276 CO 0.00 0.00 0.00 0.41 -2.08 0.00 0.00 176.86 175.19 3ii4 n GLY 277 N -0.25 -0.40 0.25 -7.48 0.00 -1.26 -1.25 105.19 94.81 3ii4 n GLY 277 Ca 0.12 0.14 0.02 0.00 0.00 0.00 0.00 46.02 46.31 3ii4 n GLY 277 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 3ii4 h LEU 278 N -2.08 0.29 -0.78 0.99 3.38 -1.89 -2.43 115.31 112.78 3ii4 h LEU 278 Ca -0.59 -0.05 -0.09 0.00 0.09 0.00 0.00 57.88 57.24 3ii4 h LEU 278 Cb 1.35 -0.08 -0.02 0.00 0.09 0.00 0.00 40.66 42.01 3ii4 h LEU 278 CO 0.54 0.41 -0.02 -2.24 0.09 0.00 0.00 178.44 177.21 3ii4 h ASP 279 N 0.30 0.87 -0.41 -0.43 3.04 -1.91 -1.15 116.42 116.73 3ii4 h ASP 279 Ca 0.06 -0.24 0.05 0.00 -3.24 0.00 0.00 57.03 53.67 3ii4 h ASP 279 Cb 0.33 -0.23 -0.02 0.00 -1.04 0.00 0.00 39.33 38.36 3ii4 h ASP 279 CO 0.02 0.95 0.28 0.11 -2.04 0.00 0.00 179.24 178.55 3ii4 h LYS 280 N 0.82 0.35 0.00 4.15 1.79 -1.73 -0.25 116.57 121.71 3ii4 h LYS 280 Ca 0.15 -0.02 0.00 0.00 -2.18 0.00 0.00 60.65 58.60 3ii4 h LYS 280 Cb 0.52 -0.08 0.00 0.00 -1.58 0.00 0.00 32.23 31.10 3ii4 h LYS 280 CO 0.03 0.23 -0.64 0.00 -1.08 0.00 0.00 179.45 177.99 3ii4 n ALA 281 N -2.51 2.97 -1.03 3.86 0.00 -0.95 -4.36 120.51 118.49 3ii4 n ALA 281 Ca 0.05 -0.26 0.00 0.00 0.00 0.00 0.00 53.44 53.23 3ii4 n ALA 281 Cb 0.22 -1.16 0.00 0.00 0.00 0.00 0.00 19.45 18.51 3ii4 n ALA 281 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3ii4 n GLY 282 N 1.35 0.47 3.75 0.00 0.00 -0.10 -4.62 105.19 106.03 3ii4 n GLY 282 Ca 0.03 -0.95 -0.40 0.00 0.00 0.00 0.00 46.02 44.71 3ii4 n GLY 282 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3ii4 s VAL 283 N -2.00 4.35 -0.04 1.61 1.01 -0.84 -4.68 120.40 119.82 3ii4 s VAL 283 Ca 0.00 1.94 -0.05 0.00 0.00 0.00 0.00 61.98 63.87 3ii4 s VAL 283 Cb 0.00 -4.26 -0.04 0.00 0.00 0.00 0.00 36.38 32.08 3ii4 s VAL 283 CO 0.00 0.43 0.19 0.00 0.00 0.00 0.00 175.10 175.72 3ii4 s ALA 284 N -0.66 3.91 0.33 5.51 0.00 -1.26 -4.61 121.76 124.98 3ii4 s ALA 284 Ca 0.41 -0.68 0.07 0.00 0.00 0.00 0.00 51.96 51.76 3ii4 s ALA 284 Cb -0.24 -1.96 -0.01 0.00 0.00 0.00 0.00 23.12 20.91 3ii4 s ALA 284 CO 0.29 0.68 0.45 -0.51 0.00 0.00 0.00 175.76 176.68 3ii4 s LEU 285 N -1.59 3.98 0.00 0.00 1.43 -1.26 -2.36 118.68 118.87 3ii4 s LEU 285 Ca 0.23 -0.19 -0.02 0.00 -1.03 0.00 0.00 54.13 53.13 3ii4 s LEU 285 Cb -0.13 -2.73 0.10 0.00 0.03 0.00 0.00 46.19 43.46 3ii4 s LEU 285 CO 0.13 -0.40 0.67 0.35 0.23 0.00 0.00 176.35 177.33 3ii4 n THR 286 N -1.61 0.00 -0.05 5.49 -2.24 0.18 -4.70 114.28 111.34 3ii4 n THR 286 Ca -0.01 -0.92 0.02 0.00 -2.27 0.00 0.00 64.05 60.87 3ii4 n THR 286 Cb 0.58 -1.19 0.34 0.00 -2.10 0.00 0.00 70.33 67.96 3ii4 n THR 286 CO 0.00 0.00 0.00 -2.24 -0.57 0.00 0.00 175.07 172.26 3ii4 h ASP 287 N -0.51 0.57 -0.26 3.42 2.03 -2.00 -1.42 116.42 118.24 3ii4 h ASP 287 Ca -0.22 -0.04 0.00 0.00 -0.73 0.00 0.00 57.03 56.04 3ii4 h ASP 287 Cb 0.77 -0.14 0.00 0.00 -0.83 0.00 0.00 39.33 39.12 3ii4 h ASP 287 CO 0.22 0.48 0.00 0.54 -1.03 0.00 0.00 179.24 179.45 3ii4 n ARG 288 N -4.40 1.93 -3.19 4.15 1.74 -1.26 -4.89 116.66 110.74 3ii4 n ARG 288 Ca 0.04 -1.08 -0.15 0.00 -0.77 0.00 0.00 57.85 55.89 3ii4 n ARG 288 Cb 0.12 -1.41 0.07 0.00 -1.02 0.00 0.00 32.46 30.22 3ii4 n ARG 288 CO 0.00 0.00 0.00 1.63 -1.52 0.00 0.00 177.63 177.74 3ii4 n LYS 289 N 0.30 -5.51 -4.73 5.56 4.76 -0.53 -4.93 118.16 113.07 3ii4 n LYS 289 Ca 0.10 0.66 -0.24 0.00 -2.87 0.00 0.00 58.31 55.96 3ii4 n LYS 289 Cb 0.36 -5.15 -0.15 0.00 -1.84 0.00 0.00 35.03 28.24 3ii4 n LYS 289 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 3ii4 s ALA 290 N -3.27 1.33 -0.12 7.82 0.00 -1.26 -4.57 121.76 121.69 3ii4 s ALA 290 Ca 0.13 -0.64 -0.34 0.00 0.00 0.00 0.00 51.96 51.10 3ii4 s ALA 290 Cb -0.06 -0.39 -0.11 0.00 0.00 0.00 0.00 23.12 22.56 3ii4 s ALA 290 CO 0.57 0.29 1.92 -0.89 0.00 0.00 0.00 175.76 177.66 3ii4 n ILE 291 N 2.90 0.54 -2.46 0.00 5.41 -1.03 0.48 119.36 125.20 3ii4 n ILE 291 Ca -0.16 -0.14 -0.40 0.00 1.00 0.00 0.00 62.75 63.05 3ii4 n ILE 291 Cb 0.54 -1.89 -0.04 0.00 -0.71 0.00 0.00 39.64 37.54 3ii4 n ILE 291 CO 0.00 0.00 0.00 -0.83 0.00 0.00 0.00 176.55 175.72 3ii4 s GLY 292 N 4.57 3.02 0.05 7.39 0.00 -1.00 -4.49 107.32 116.86 3ii4 s GLY 292 Ca 0.95 0.91 -0.03 0.00 0.00 0.00 0.00 44.72 46.55 3ii4 s GLY 292 CO 0.51 1.56 0.02 -1.34 0.00 0.00 0.00 173.10 173.85 3ii4 s VAL 293 N -1.00 0.19 0.28 1.40 -7.23 -1.26 -4.26 120.40 108.51 3ii4 s VAL 293 Ca 0.46 -1.54 0.02 0.00 -1.81 0.00 0.00 61.98 59.10 3ii4 s VAL 293 Cb -0.32 -1.32 0.05 0.00 0.56 0.00 0.00 36.38 35.35 3ii4 s VAL 293 CO 0.41 -0.85 0.38 -0.90 -0.31 0.00 0.00 175.10 173.82 3ii4 n ASP 294 N 0.27 0.73 0.00 4.85 3.85 -0.81 -4.87 116.55 120.57 3ii4 n ASP 294 Ca -0.16 -1.57 0.01 0.00 -0.71 0.00 0.00 54.79 52.37 3ii4 n ASP 294 Cb 0.61 -0.23 0.05 0.00 -1.35 0.00 0.00 41.12 40.20 3ii4 n ASP 294 CO 0.00 0.00 0.00 0.47 -1.01 0.00 0.00 177.20 176.66 3ii4 n ASP 295 N -2.84 0.00 -0.14 -1.12 8.00 -1.26 -1.15 116.55 118.05 3ii4 n ASP 295 Ca 0.07 -0.17 0.07 0.00 0.71 0.00 0.00 54.79 55.47 3ii4 n ASP 295 Cb 0.25 0.00 0.09 0.00 -0.02 0.00 0.00 41.12 41.44 3ii4 n ASP 295 CO 0.00 0.00 0.00 -1.22 -0.39 0.00 0.00 177.20 175.59 3ii4 n TYR 296 N -0.74 0.00 -1.87 1.24 4.02 -1.26 -4.53 117.16 114.01 3ii4 n TYR 296 Ca 0.01 -0.72 -0.19 0.00 -0.01 0.00 0.00 57.90 56.99 3ii4 n TYR 296 Cb 0.01 -0.11 -0.05 0.00 -0.02 0.00 0.00 39.34 39.16 3ii4 n TYR 296 CO 0.00 0.00 0.00 -1.33 -1.01 0.00 0.00 176.86 174.52 3ii4 n MET 297 N -1.00 -1.42 -3.39 -0.72 2.81 -0.30 -4.38 117.12 108.72 3ii4 n MET 297 Ca 0.10 1.09 -0.39 0.00 -1.81 0.00 0.00 57.70 56.69 3ii4 n MET 297 Cb 0.59 -5.51 -0.09 0.00 -0.71 0.00 0.00 33.22 27.51 3ii4 n MET 297 CO 0.00 0.00 0.00 0.50 1.51 0.00 0.00 175.97 177.98 3ii4 s ARG 298 N -4.15 3.94 0.77 0.03 3.52 -1.26 -0.49 118.95 121.32 3ii4 s ARG 298 Ca 0.00 -0.03 -0.13 0.00 -0.13 0.00 0.00 55.73 55.44 3ii4 s ARG 298 Cb 0.00 -3.68 0.19 0.00 -1.56 0.00 0.00 34.95 29.89 3ii4 s ARG 298 CO 0.00 -0.33 0.82 0.25 -0.81 0.00 0.00 175.30 175.23 3ii4 n THR 299 N 5.15 0.00 0.29 4.11 -2.24 0.13 -1.92 114.28 119.79 3ii4 n THR 299 Ca -0.08 -0.47 0.18 0.00 -2.27 0.00 0.00 64.05 61.41 3ii4 n THR 299 Cb 0.50 -1.36 0.94 0.00 -2.10 0.00 0.00 70.33 68.31 3ii4 n THR 299 CO 0.00 0.00 0.00 -0.55 -0.57 0.00 0.00 175.07 173.95 3ii4 h ASN 300 N -1.79 0.00 -3.21 3.42 -1.07 -1.85 -3.35 115.58 107.74 3ii4 h ASN 300 Ca -0.29 0.00 -0.72 0.00 0.07 0.00 0.00 56.30 55.37 3ii4 h ASN 300 Cb 0.84 0.00 -0.21 0.00 -2.07 0.00 0.00 38.32 36.89 3ii4 h ASN 300 CO 0.19 0.00 -0.12 -0.69 0.07 0.00 0.00 177.43 176.88 3ii4 s VAL 301 N -3.87 5.04 0.09 6.14 1.01 -1.26 -4.99 120.40 122.56 3ii4 s VAL 301 Ca -0.03 -0.89 -0.09 0.00 0.00 0.00 0.00 61.98 60.97 3ii4 s VAL 301 Cb 0.10 -4.26 0.07 0.00 0.00 0.00 0.00 36.38 32.30 3ii4 s VAL 301 CO 0.36 -0.77 0.67 0.61 0.00 0.00 0.00 175.10 175.98 3ii4 n GLY 302 N 5.21 -0.94 0.63 4.51 0.00 -1.26 0.34 105.19 113.69 3ii4 n GLY 302 Ca -0.10 0.49 0.06 0.00 0.00 0.00 0.00 46.02 46.47 3ii4 n GLY 302 CO 0.00 0.00 0.00 -2.39 0.00 0.00 0.00 173.32 170.93 3ii4 n HIS 303 N -4.62 0.44 -4.48 1.61 1.44 -1.26 -4.81 115.22 103.55 3ii4 n HIS 303 Ca 0.04 -0.22 -0.33 0.00 -2.01 0.00 0.00 57.72 55.19 3ii4 n HIS 303 Cb 0.16 0.00 -0.15 0.00 0.12 0.00 0.00 29.99 30.12 3ii4 n HIS 303 CO 0.00 0.00 0.00 0.42 -2.81 0.00 0.00 176.34 173.95 3ii4 s ILE 304 N -1.56 2.88 0.28 0.61 1.01 0.15 -1.41 121.20 123.17 3ii4 s ILE 304 Ca 0.24 -0.69 0.10 0.00 0.00 0.00 0.00 60.65 60.30 3ii4 s ILE 304 Cb 0.13 -2.23 -0.05 0.00 0.01 0.00 0.00 42.46 40.32 3ii4 s ILE 304 CO 0.17 0.50 -0.04 -0.31 0.00 0.00 0.00 174.94 175.26 3ii4 s TYR 305 N 0.80 2.60 -0.05 3.97 1.51 0.81 -0.70 117.35 126.28 3ii4 s TYR 305 Ca -0.05 -0.27 -0.01 0.00 -1.01 0.00 0.00 57.07 55.73 3ii4 s TYR 305 Cb -0.15 -1.19 0.03 0.00 -0.11 0.00 0.00 41.96 40.54 3ii4 s TYR 305 CO 0.01 0.62 0.03 0.00 -1.11 0.00 0.00 175.55 175.10 3ii4 s ALA 306 N -2.38 0.43 0.27 3.71 0.00 0.36 0.25 121.76 124.40 3ii4 s ALA 306 Ca 0.32 0.06 0.03 0.00 0.00 0.00 0.00 51.96 52.37 3ii4 s ALA 306 Cb -0.05 -0.62 -0.06 0.00 0.00 0.00 0.00 23.12 22.39 3ii4 s ALA 306 CO 0.19 -0.41 0.05 0.96 0.00 0.00 0.00 175.76 176.55 3ii4 s ILE 307 N 1.90 0.97 0.00 0.00 -4.36 -0.39 -4.73 121.20 114.59 3ii4 s ILE 307 Ca 0.03 -2.01 0.00 0.00 -0.26 0.00 0.00 60.65 58.40 3ii4 s ILE 307 Cb -0.12 -2.59 0.00 0.00 1.25 0.00 0.00 42.46 40.99 3ii4 s ILE 307 CO -0.04 -0.11 0.00 0.61 0.24 0.00 0.00 174.94 175.64 3ii4 n GLY 308 N -0.53 -1.40 0.26 6.27 0.00 -1.26 -4.04 105.19 104.48 3ii4 n GLY 308 Ca -0.03 -1.31 0.11 0.00 0.00 0.00 0.00 46.02 44.79 3ii4 n GLY 308 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 3ii4 h ASP 309 N 0.77 0.00 -0.01 1.61 3.45 -1.89 -3.01 116.42 117.35 3ii4 h ASP 309 Ca 0.00 0.00 0.00 0.00 0.43 0.00 0.00 57.03 57.46 3ii4 h ASP 309 Cb 0.00 0.00 -0.00 0.00 -0.56 0.00 0.00 39.33 38.77 3ii4 h ASP 309 CO 0.00 0.11 0.17 1.62 -1.57 0.00 0.00 179.24 179.57 3ii4 h VAL 310 N 0.00 0.01 -0.01 -1.35 3.04 -1.70 0.22 116.25 116.46 3ii4 h VAL 310 Ca -0.00 0.00 0.00 0.00 -1.01 0.00 0.00 66.70 65.69 3ii4 h VAL 310 Cb 0.25 0.83 0.00 0.00 -2.01 0.00 0.00 31.29 30.36 3ii4 h VAL 310 CO 0.01 0.00 -0.56 -0.46 -1.01 0.00 0.00 177.57 175.55 3ii4 n ASN 311 N -3.01 1.65 -0.67 3.17 2.04 -1.14 -2.46 115.26 114.84 3ii4 n ASN 311 Ca -0.02 -1.32 -0.07 0.00 -0.44 0.00 0.00 54.58 52.72 3ii4 n ASN 311 Cb 0.23 0.62 -0.03 0.00 -2.53 0.00 0.00 39.78 38.06 3ii4 n ASN 311 CO 0.00 0.00 0.00 0.61 -0.44 0.00 0.00 177.26 177.43 3ii4 n GLY 312 N 1.37 0.71 0.08 4.83 0.00 0.77 -4.69 105.19 108.25 3ii4 n GLY 312 Ca 0.07 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 45.98 3ii4 n GLY 312 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 3ii4 h LEU 313 N 0.00 0.13 -6.02 0.99 3.38 -1.84 -3.41 115.31 108.53 3ii4 h LEU 313 Ca -0.15 -0.12 -0.05 0.00 0.09 0.00 0.00 57.88 57.65 3ii4 h LEU 313 Cb 0.92 -0.03 -0.20 0.00 0.09 0.00 0.00 40.66 41.43 3ii4 h LEU 313 CO 0.22 0.21 -0.44 -0.22 0.09 0.00 0.00 178.44 178.30 3ii4 s LEU 314 N -9.95 -1.49 -1.09 1.67 0.20 -1.26 -4.99 118.68 101.77 3ii4 s LEU 314 Ca -0.14 -0.50 -0.23 0.00 0.69 0.00 0.00 54.13 53.95 3ii4 s LEU 314 Cb 0.06 1.91 -0.12 0.00 -0.43 0.00 0.00 46.19 47.61 3ii4 s LEU 314 CO 0.68 -0.22 1.94 0.00 -0.29 0.00 0.00 176.35 178.46 3ii4 n GLN 315 N 4.75 1.43 -3.92 1.98 6.02 -1.26 -4.69 117.38 121.69 3ii4 n GLN 315 Ca 0.09 -2.29 -0.10 0.00 -0.01 0.00 0.00 57.00 54.69 3ii4 n GLN 315 Cb 0.55 -3.60 -0.10 0.00 1.02 0.00 0.00 30.24 28.11 3ii4 n GLN 315 CO 0.00 0.00 0.00 -0.51 -1.01 0.00 0.00 177.06 175.54 3ii4 s LEU 316 N 9.86 1.81 0.15 1.08 1.43 -1.26 -5.01 118.68 126.75 3ii4 s LEU 316 Ca 0.68 -0.42 -0.16 0.00 -1.03 0.00 0.00 54.13 53.20 3ii4 s LEU 316 Cb 0.02 0.52 0.02 0.00 0.03 0.00 0.00 46.19 46.78 3ii4 s LEU 316 CO 0.14 -0.42 1.81 0.00 0.23 0.00 0.00 176.35 178.11 3ii4 h ALA 317 N 4.06 0.49 0.00 4.21 0.00 -1.99 0.34 119.26 126.37 3ii4 h ALA 317 Ca -0.32 -0.02 -0.05 0.00 0.00 0.00 0.00 54.91 54.52 3ii4 h ALA 317 Cb 1.19 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 18.84 3ii4 h ALA 317 CO 0.45 -0.08 -0.24 1.12 0.00 0.00 0.00 179.25 180.50 3ii4 h HIS 318 N 0.50 0.00 -0.12 0.00 2.07 -1.98 0.35 115.15 115.97 3ii4 h HIS 318 Ca 0.15 0.00 -0.15 0.00 -2.85 0.00 0.00 60.37 57.52 3ii4 h HIS 318 Cb -0.03 0.00 0.01 0.00 2.57 0.00 0.00 27.41 29.95 3ii4 h HIS 318 CO -0.06 0.24 -0.50 0.28 -3.07 0.00 0.00 177.93 174.82 3ii4 h VAL 319 N 0.00 1.35 -0.63 6.12 2.07 -1.73 -2.17 116.25 121.26 3ii4 h VAL 319 Ca -0.00 -1.80 0.05 0.00 0.82 0.00 0.00 66.70 65.76 3ii4 h VAL 319 Cb 0.53 2.12 -0.05 0.00 -1.52 0.00 0.00 31.29 32.37 3ii4 h VAL 319 CO 0.03 0.55 0.36 0.00 0.02 0.00 0.00 177.57 178.53 3ii4 h ALA 320 N 0.50 0.83 -0.35 1.67 0.00 -0.19 -2.04 119.26 119.68 3ii4 h ALA 320 Ca -0.03 0.01 -0.04 0.00 0.00 0.00 0.00 54.91 54.85 3ii4 h ALA 320 Cb 1.14 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 18.77 3ii4 h ALA 320 CO 0.11 0.06 0.07 0.93 0.00 0.00 0.00 179.25 180.42 3ii4 h GLU 321 N 0.69 0.56 -0.43 0.00 5.08 -0.93 -2.90 114.58 116.66 3ii4 h GLU 321 Ca 0.27 -0.14 -0.00 0.00 -1.00 0.00 0.00 59.36 58.49 3ii4 h GLU 321 Cb 0.12 -0.07 -0.02 0.00 0.50 0.00 0.00 28.75 29.28 3ii4 h GLU 321 CO -0.15 0.62 0.26 0.00 -1.00 0.00 0.00 179.01 178.74 3ii4 h ALA 322 N 0.92 0.55 -0.45 3.43 0.00 -1.05 -2.48 119.26 120.17 3ii4 h ALA 322 Ca 0.11 -0.07 -0.04 0.00 0.00 0.00 0.00 54.91 54.91 3ii4 h ALA 322 Cb 0.32 -0.17 -0.02 0.00 0.00 0.00 0.00 17.79 17.91 3ii4 h ALA 322 CO 0.00 0.05 0.11 1.96 0.00 0.00 0.00 179.25 181.37 3ii4 h GLN 323 N 0.57 0.68 -0.66 0.00 4.20 -1.40 -2.00 115.11 116.50 3ii4 h GLN 323 Ca 0.15 -0.13 -0.05 0.00 0.06 0.00 0.00 58.65 58.69 3ii4 h GLN 323 Cb 0.01 -0.11 -0.03 0.00 0.30 0.00 0.00 27.48 27.65 3ii4 h GLN 323 CO -0.03 0.62 0.22 0.78 -0.67 0.00 0.00 178.83 179.75 3ii4 h GLY 324 N 0.88 1.08 0.90 3.46 0.00 -1.27 0.15 103.07 108.27 3ii4 h GLY 324 Ca 0.15 -0.61 -0.04 0.00 0.00 0.00 0.00 47.33 46.84 3ii4 h GLY 324 CO -0.00 0.57 0.06 -2.08 0.00 0.00 0.00 176.54 175.09 3ii4 h VAL 325 N 0.97 1.23 -0.49 4.60 2.07 -0.97 -0.97 116.25 122.69 3ii4 h VAL 325 Ca 0.22 -0.80 0.00 0.00 0.82 0.00 0.00 66.70 66.95 3ii4 h VAL 325 Cb 0.26 1.13 -0.02 0.00 -1.52 0.00 0.00 31.29 31.13 3ii4 h VAL 325 CO -0.01 0.26 0.32 0.58 0.02 0.00 0.00 177.57 178.75 3ii4 h VAL 326 N 0.37 1.13 0.14 2.57 2.07 -0.84 -0.79 116.25 120.89 3ii4 h VAL 326 Ca 0.10 -0.23 -0.01 0.00 0.82 0.00 0.00 66.70 67.39 3ii4 h VAL 326 Cb 0.33 0.40 -0.00 0.00 -1.52 0.00 0.00 31.29 30.51 3ii4 h VAL 326 CO 0.00 0.12 -0.07 0.00 0.02 0.00 0.00 177.57 177.64 3ii4 h ALA 327 N 1.18 -0.20 -0.93 1.67 0.00 -0.52 0.10 119.26 120.55 3ii4 h ALA 327 Ca 0.18 -0.04 0.03 0.00 0.00 0.00 0.00 54.91 55.08 3ii4 h ALA 327 Cb -0.08 0.09 -0.05 0.00 0.00 0.00 0.00 17.79 17.75 3ii4 h ALA 327 CO -0.04 -0.61 0.61 0.00 0.00 0.00 0.00 179.25 179.21 3ii4 h ALA 328 N 0.66 1.22 -0.36 0.00 0.00 -0.98 -0.43 119.26 119.38 3ii4 h ALA 328 Ca -0.02 -0.05 -0.15 0.00 0.00 0.00 0.00 54.91 54.69 3ii4 h ALA 328 Cb 0.16 -0.34 -0.01 0.00 0.00 0.00 0.00 17.79 17.60 3ii4 h ALA 328 CO 0.03 0.50 -0.38 0.93 0.00 0.00 0.00 179.25 180.32 3ii4 h GLU 329 N 1.20 0.86 -0.70 0.00 5.08 -0.92 -2.08 114.58 118.01 3ii4 h GLU 329 Ca 0.36 -0.44 -0.07 0.00 -1.00 0.00 0.00 59.36 58.21 3ii4 h GLU 329 Cb -0.03 0.01 -0.03 0.00 0.50 0.00 0.00 28.75 29.20 3ii4 h GLU 329 CO -0.11 1.09 0.16 1.15 -1.00 0.00 0.00 179.01 180.29 3ii4 h THR 330 N 0.70 1.26 -0.18 1.13 2.02 -0.53 0.34 112.91 117.65 3ii4 h THR 330 Ca 0.06 -0.99 -0.00 0.00 0.77 0.00 0.00 66.41 66.24 3ii4 h THR 330 Cb 0.96 0.55 -0.01 0.00 -1.74 0.00 0.00 68.15 67.91 3ii4 h THR 330 CO 0.09 0.38 0.09 0.40 0.37 0.00 0.00 175.52 176.85 3ii4 h ILE 331 N 1.07 1.12 0.00 3.11 2.04 -0.94 -2.61 117.51 121.29 3ii4 h ILE 331 Ca 0.22 -0.32 0.00 0.00 1.00 0.00 0.00 64.86 65.76 3ii4 h ILE 331 Cb 0.39 1.00 0.00 0.00 -0.74 0.00 0.00 36.82 37.47 3ii4 h ILE 331 CO 0.01 0.11 0.00 0.00 0.00 0.00 0.00 178.15 178.26 3ii4 n ALA 332 N -2.20 2.22 -2.13 1.87 0.00 -0.79 -4.91 120.51 114.56 3ii4 n ALA 332 Ca -0.04 -0.03 -0.04 0.00 0.00 0.00 0.00 53.44 53.33 3ii4 n ALA 332 Cb 0.08 -1.46 -0.00 0.00 0.00 0.00 0.00 19.45 18.08 3ii4 n ALA 332 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3ii4 n GLY 333 N 1.20 0.24 3.97 0.00 0.00 0.89 -5.05 105.19 106.43 3ii4 n GLY 333 Ca 0.06 -0.69 -0.25 0.00 0.00 0.00 0.00 46.02 45.13 3ii4 n GLY 333 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3ii4 s ALA 334 N -2.28 3.38 0.04 4.61 0.00 0.50 -5.00 121.76 123.01 3ii4 s ALA 334 Ca 0.01 -1.42 -0.30 0.00 0.00 0.00 0.00 51.96 50.25 3ii4 s ALA 334 Cb -0.00 -2.26 -0.08 0.00 0.00 0.00 0.00 23.12 20.77 3ii4 s ALA 334 CO 0.01 -1.48 1.82 -1.21 0.00 0.00 0.00 175.76 174.90 3ii4 s GLU 335 N -5.23 4.16 0.06 0.00 0.41 -1.26 -4.69 118.70 112.14 3ii4 s GLU 335 Ca 0.65 2.47 -0.03 0.00 -0.41 0.00 0.00 54.97 57.66 3ii4 s GLU 335 Cb -0.07 -3.92 -0.03 0.00 -1.78 0.00 0.00 34.13 28.33 3ii4 s GLU 335 CO 0.45 -0.87 0.02 -0.08 -0.49 0.00 0.00 175.26 174.28 3ii4 s THR 336 N 3.74 0.20 -0.08 3.63 -1.32 -1.26 -5.00 115.64 115.55 3ii4 s THR 336 Ca 0.81 -1.62 -0.00 0.00 -1.21 0.00 0.00 61.69 59.67 3ii4 s THR 336 Cb -0.41 -1.40 0.02 0.00 -1.51 0.00 0.00 72.50 69.21 3ii4 s THR 336 CO 0.36 -0.89 -0.04 -0.22 -2.21 0.00 0.00 174.62 171.62 3ii4 s LEU 337 N -2.80 1.01 0.56 9.08 2.96 -1.26 -5.12 118.68 123.10 3ii4 s LEU 337 Ca 0.05 -0.17 -0.21 0.00 -0.22 0.00 0.00 54.13 53.58 3ii4 s LEU 337 Cb 0.06 -0.57 -0.05 0.00 0.50 0.00 0.00 46.19 46.13 3ii4 s LEU 337 CO -0.10 -0.12 1.28 1.07 -1.32 0.00 0.00 176.35 177.17 3ii4 n THR 338 N 4.72 3.93 0.23 3.68 5.66 -1.26 -4.87 114.28 126.37 3ii4 n THR 338 Ca -0.14 -0.50 0.08 0.00 -3.05 0.00 0.00 64.05 60.44 3ii4 n THR 338 Cb 0.50 -1.55 0.57 0.00 -1.55 0.00 0.00 70.33 68.30 3ii4 n THR 338 CO 0.00 0.00 0.00 -0.07 -3.05 0.00 0.00 175.07 171.95 3ii4 h LEU 339 N 1.18 0.00 0.00 1.09 3.38 -1.97 -3.48 115.31 115.51 3ii4 h LEU 339 Ca -0.50 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.47 3ii4 h LEU 339 Cb 1.32 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.07 3ii4 h LEU 339 CO 0.56 0.19 0.00 0.61 0.09 0.00 0.00 178.44 179.88 3ii4 n GLY 340 N -0.82 0.01 3.60 0.83 0.00 -1.26 -4.75 105.19 102.79 3ii4 n GLY 340 Ca -0.02 -1.26 -0.43 0.00 0.00 0.00 0.00 46.02 44.31 3ii4 n GLY 340 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 3ii4 s ASP 341 N -4.00 6.09 0.63 1.61 2.15 -1.26 -4.86 116.67 117.03 3ii4 s ASP 341 Ca 0.00 1.02 0.40 0.00 0.43 0.00 0.00 52.55 54.40 3ii4 s ASP 341 Cb 0.00 -2.53 2.16 0.00 -0.30 0.00 0.00 42.92 42.24 3ii4 s ASP 341 CO 0.00 -1.60 2.21 0.45 -0.17 0.00 0.00 175.17 176.06 3ii4 h HIS 342 N 11.87 0.00 0.00 -5.34 3.86 -1.96 0.33 115.15 123.92 3ii4 h HIS 342 Ca -0.30 0.00 -0.03 0.00 -1.16 0.00 0.00 60.37 58.87 3ii4 h HIS 342 Cb 1.14 0.00 -0.00 0.00 1.06 0.00 0.00 27.41 29.60 3ii4 h HIS 342 CO 0.97 0.00 -0.16 0.00 0.86 0.00 0.00 177.93 179.59 3ii4 h ARG 343 N 0.00 0.00 -0.05 2.45 3.08 -1.93 -2.18 114.38 115.75 3ii4 h ARG 343 Ca 0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.05 3ii4 h ARG 343 Cb 0.14 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.19 3ii4 h ARG 343 CO 0.00 0.16 0.00 -1.33 -1.07 0.00 0.00 179.97 177.73 3ii4 n MET 344 N -3.66 1.14 -3.31 0.04 2.81 0.11 -0.78 117.12 113.46 3ii4 n MET 344 Ca -0.01 -0.21 -0.36 0.00 -1.81 0.00 0.00 57.70 55.30 3ii4 n MET 344 Cb 0.29 -1.18 -0.06 0.00 -0.71 0.00 0.00 33.22 31.56 3ii4 n MET 344 CO 0.00 0.00 0.00 -0.51 1.51 0.00 0.00 175.97 176.97 3ii4 s LEU 345 N -1.28 4.38 0.65 4.03 1.43 -0.82 -4.30 118.68 122.77 3ii4 s LEU 345 Ca 0.16 1.16 -0.15 0.00 -1.03 0.00 0.00 54.13 54.27 3ii4 s LEU 345 Cb 0.08 -3.22 -0.00 0.00 0.03 0.00 0.00 46.19 43.07 3ii4 s LEU 345 CO 0.12 0.13 1.10 -2.16 0.23 0.00 0.00 176.35 175.78 3ii4 s PRO 346 N -1.77 2.85 -0.05 1.29 0.04 -1.26 -4.37 135.00 131.73 3ii4 s PRO 346 Ca 0.36 1.36 -0.27 0.00 0.04 0.00 0.00 61.00 62.49 3ii4 s PRO 346 Cb -0.16 -1.96 0.06 0.00 0.04 0.00 0.00 34.50 32.48 3ii4 s PRO 346 CO 0.19 -1.21 0.59 1.03 0.04 0.00 0.00 177.00 177.65 3ii4 s ARG 347 N -4.12 0.96 -0.04 4.56 3.00 -0.47 -4.99 118.95 117.85 3ii4 s ARG 347 Ca 0.66 0.17 -0.09 0.00 0.00 0.00 0.00 55.73 56.47 3ii4 s ARG 347 Cb -0.20 0.45 0.01 0.00 0.00 0.00 0.00 34.95 35.22 3ii4 s ARG 347 CO 0.41 -0.29 0.21 0.00 0.00 0.00 0.00 175.30 175.63 3ii4 s ALA 348 N -1.19 -0.51 -0.18 2.13 0.00 -1.26 -1.25 121.76 119.50 3ii4 s ALA 348 Ca -0.11 0.27 -0.04 0.00 0.00 0.00 0.00 51.96 52.07 3ii4 s ALA 348 Cb -0.01 -0.09 -0.03 0.00 0.00 0.00 0.00 23.12 22.99 3ii4 s ALA 348 CO 0.08 -0.18 -0.02 0.99 0.00 0.00 0.00 175.76 176.64 3ii4 s THR 349 N -0.77 3.94 -0.46 0.00 2.01 0.15 -4.95 115.64 115.56 3ii4 s THR 349 Ca -0.09 -0.33 -0.00 0.00 0.31 0.00 0.00 61.69 61.58 3ii4 s THR 349 Cb -0.05 -2.75 0.39 0.00 0.01 0.00 0.00 72.50 70.10 3ii4 s THR 349 CO 0.02 0.46 1.93 0.49 -0.69 0.00 0.00 174.62 176.82 3ii4 n PHE 350 N 3.88 2.42 -2.07 4.92 3.01 -1.26 -1.65 117.46 126.71 3ii4 n PHE 350 Ca -0.17 -2.23 -0.28 0.00 1.01 0.00 0.00 57.45 55.77 3ii4 n PHE 350 Cb 0.52 -1.09 0.15 0.00 -0.01 0.00 0.00 39.48 39.05 3ii4 n PHE 350 CO 0.00 0.00 0.00 0.00 1.01 0.00 0.00 176.76 177.77 3ii4 s GLN 352 N -5.65 2.44 0.72 0.00 2.00 -1.26 -2.13 119.66 115.78 3ii4 s GLN 352 Ca 0.70 -0.62 -0.14 0.00 -2.00 0.00 0.00 55.36 53.29 3ii4 s GLN 352 Cb -0.06 -2.21 0.03 0.00 0.80 0.00 0.00 33.01 31.57 3ii4 s GLN 352 CO 0.50 -0.24 1.16 -1.25 -0.50 0.00 0.00 175.29 174.96 3ii4 s PRO 353 N 1.44 2.33 0.82 1.67 0.04 -1.26 -5.09 135.00 134.94 3ii4 s PRO 353 Ca 0.05 1.57 -0.11 0.00 0.04 0.00 0.00 61.00 62.54 3ii4 s PRO 353 Cb -0.13 -1.88 0.08 0.00 0.04 0.00 0.00 34.50 32.62 3ii4 s PRO 353 CO -0.11 -1.65 1.10 -0.80 0.04 0.00 0.00 177.00 175.57 3ii4 s ASN 354 N -2.36 4.25 -0.06 6.66 0.02 -0.17 -4.70 114.94 118.57 3ii4 s ASN 354 Ca 0.70 1.34 0.04 0.00 -1.02 0.00 0.00 52.86 53.92 3ii4 s ASN 354 Cb -0.25 -2.06 0.00 0.00 0.02 0.00 0.00 41.25 38.97 3ii4 s ASN 354 CO 0.45 -2.13 -0.18 -0.69 0.02 0.00 0.00 177.10 174.57 3ii4 s VAL 355 N -3.11 1.56 -0.03 1.60 1.01 -0.66 -1.60 120.40 119.16 3ii4 s VAL 355 Ca 0.61 -0.76 -0.01 0.00 0.00 0.00 0.00 61.98 61.82 3ii4 s VAL 355 Cb -0.15 -1.35 0.03 0.00 0.00 0.00 0.00 36.38 34.90 3ii4 s VAL 355 CO 0.55 0.45 0.07 0.00 0.00 0.00 0.00 175.10 176.16 3ii4 s ALA 356 N 0.23 -0.05 0.30 5.51 0.00 -0.20 -0.67 121.76 126.88 3ii4 s ALA 356 Ca -0.10 0.39 -0.14 0.00 0.00 0.00 0.00 51.96 52.11 3ii4 s ALA 356 Cb -0.14 -0.28 0.02 0.00 0.00 0.00 0.00 23.12 22.72 3ii4 s ALA 356 CO 0.04 -0.11 0.62 -1.54 0.00 0.00 0.00 175.76 174.77 3ii4 s SER 357 N 0.94 0.03 -0.06 0.00 1.04 -0.38 -0.55 113.70 114.72 3ii4 s SER 357 Ca -0.08 -0.97 -0.31 0.00 0.48 0.00 0.00 55.95 55.07 3ii4 s SER 357 Cb -0.11 0.70 0.11 0.00 0.10 0.00 0.00 66.02 66.83 3ii4 s SER 357 CO -0.03 -1.35 0.99 0.72 0.98 0.00 0.00 173.24 174.54 3ii4 s PHE 358 N -3.44 -0.28 0.00 5.02 -0.12 -0.60 -1.37 117.98 117.18 3ii4 s PHE 358 Ca 0.19 0.18 0.00 0.00 -0.05 0.00 0.00 56.93 57.24 3ii4 s PHE 358 Cb -0.03 0.53 0.00 0.00 -0.63 0.00 0.00 43.02 42.89 3ii4 s PHE 358 CO 0.11 -0.44 0.00 0.41 -0.05 0.00 0.00 175.22 175.25 3ii4 n GLY 359 N -0.18 -0.10 3.89 1.99 0.00 0.04 -1.01 105.19 109.81 3ii4 n GLY 359 Ca -0.06 -1.01 -0.31 0.00 0.00 0.00 0.00 46.02 44.65 3ii4 n GLY 359 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3ii4 s LEU 360 N 0.00 4.10 0.89 0.99 1.43 0.51 -4.74 118.68 121.86 3ii4 s LEU 360 Ca 0.00 0.86 -0.12 0.00 -1.03 0.00 0.00 54.13 53.83 3ii4 s LEU 360 Cb 0.00 -3.65 0.13 0.00 0.03 0.00 0.00 46.19 42.70 3ii4 s LEU 360 CO 0.00 -0.14 1.16 0.42 0.23 0.00 0.00 176.35 178.01 3ii4 s THR 361 N -1.96 1.99 0.12 5.49 -4.23 -1.26 -4.19 115.64 111.61 3ii4 s THR 361 Ca 0.46 0.00 -0.19 0.00 -1.18 0.00 0.00 61.69 60.78 3ii4 s THR 361 Cb -0.11 -2.83 -0.06 0.00 1.34 0.00 0.00 72.50 70.84 3ii4 s THR 361 CO 0.25 0.00 1.77 -0.08 -0.54 0.00 0.00 174.62 176.02 3ii4 h GLU 362 N -1.39 0.24 -0.70 3.99 4.81 -1.98 -1.56 114.58 117.99 3ii4 h GLU 362 Ca -0.49 -0.01 -0.04 0.00 -0.13 0.00 0.00 59.36 58.69 3ii4 h GLU 362 Cb 1.33 -0.06 -0.03 0.00 0.63 0.00 0.00 28.75 30.62 3ii4 h GLU 362 CO 0.62 0.16 0.28 0.37 -0.73 0.00 0.00 179.01 179.71 3ii4 h GLN 363 N 0.25 1.03 -0.42 1.92 5.75 -1.99 -1.95 115.11 119.70 3ii4 h GLN 363 Ca 0.08 -0.17 -0.06 0.00 -0.15 0.00 0.00 58.65 58.35 3ii4 h GLN 363 Cb -0.01 -0.17 -0.02 0.00 1.07 0.00 0.00 27.48 28.35 3ii4 h GLN 363 CO -0.04 0.84 0.03 1.96 -2.65 0.00 0.00 178.83 178.96 3ii4 h GLN 364 N 1.01 0.72 -0.63 1.69 4.20 -1.85 0.34 115.11 120.58 3ii4 h GLN 364 Ca 0.24 -0.22 -0.01 0.00 0.06 0.00 0.00 58.65 58.72 3ii4 h GLN 364 Cb 0.19 -0.07 -0.03 0.00 0.30 0.00 0.00 27.48 27.87 3ii4 h GLN 364 CO -0.02 0.78 0.37 0.00 -0.67 0.00 0.00 178.83 179.29 3ii4 h ALA 365 N 0.91 0.81 -0.64 3.87 0.00 -1.07 0.55 119.26 123.69 3ii4 h ALA 365 Ca 0.12 -0.08 -0.05 0.00 0.00 0.00 0.00 54.91 54.89 3ii4 h ALA 365 Cb 0.44 -0.25 -0.03 0.00 0.00 0.00 0.00 17.79 17.95 3ii4 h ALA 365 CO 0.02 0.30 0.20 0.00 0.00 0.00 0.00 179.25 179.76 3ii4 h ARG 366 N 0.86 1.00 -0.43 0.00 3.08 -1.17 -2.21 114.38 115.51 3ii4 h ARG 366 Ca 0.23 -0.22 -0.11 0.00 0.07 0.00 0.00 59.98 59.95 3ii4 h ARG 366 Cb -0.00 -0.14 -0.02 0.00 0.08 0.00 0.00 29.97 29.89 3ii4 h ARG 366 CO -0.04 0.88 -0.18 -0.91 -1.07 0.00 0.00 179.97 178.65 3ii4 h ASN 367 N 0.93 0.84 0.15 7.04 2.35 -0.30 -2.54 115.58 124.05 3ii4 h ASN 367 Ca 0.21 -0.29 -0.01 0.00 -0.55 0.00 0.00 56.30 55.66 3ii4 h ASN 367 Cb 0.30 -0.23 -0.00 0.00 0.05 0.00 0.00 38.32 38.44 3ii4 h ASN 367 CO -0.01 1.01 -0.04 -0.33 -1.65 0.00 0.00 177.43 176.41 3ii4 h GLU 368 N 0.73 0.00 0.00 0.81 4.39 0.40 -3.46 114.58 117.45 3ii4 h GLU 368 Ca 0.11 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.81 3ii4 h GLU 368 Cb 0.70 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.35 3ii4 h GLU 368 CO 0.05 0.04 0.00 0.41 -1.16 0.00 0.00 179.01 178.35 3ii4 n GLY 369 N -1.02 1.08 3.82 -3.84 0.00 -0.96 -5.08 105.19 99.19 3ii4 n GLY 369 Ca -0.02 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.70 3ii4 n GLY 369 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 3ii4 s TYR 370 N -2.00 2.90 -1.18 1.61 1.51 -0.86 -4.95 117.35 114.38 3ii4 s TYR 370 Ca 0.00 1.10 -0.09 0.00 -1.01 0.00 0.00 57.07 57.07 3ii4 s TYR 370 Cb 0.00 -3.14 0.23 0.00 -0.11 0.00 0.00 41.96 38.93 3ii4 s TYR 370 CO 0.00 -1.70 1.53 -3.47 -1.11 0.00 0.00 175.55 170.80 3ii4 n ASP 371 N -3.37 5.56 -4.63 2.29 4.64 -1.26 -4.71 116.55 115.06 3ii4 n ASP 371 Ca 0.07 -3.15 -0.45 0.00 -1.38 0.00 0.00 54.79 49.88 3ii4 n ASP 371 Cb 0.57 -1.43 -0.02 0.00 -1.04 0.00 0.00 41.12 39.20 3ii4 n ASP 371 CO 0.00 0.00 0.00 0.52 -0.82 0.00 0.00 177.20 176.90 3ii4 n VAL 372 N 2.98 1.39 -3.91 5.18 0.31 -1.26 -0.14 118.33 122.87 3ii4 n VAL 372 Ca 0.33 -0.35 -0.21 0.00 -0.01 0.00 0.00 64.34 64.10 3ii4 n VAL 372 Cb 0.37 -1.23 -0.17 0.00 -0.91 0.00 0.00 33.84 31.91 3ii4 n VAL 372 CO 0.00 0.00 0.00 -0.69 -1.32 0.00 0.00 176.83 174.82 3ii4 s VAL 373 N -0.52 0.39 -0.05 2.52 1.01 0.93 -4.79 120.40 119.88 3ii4 s VAL 373 Ca 0.65 0.05 0.06 0.00 0.00 0.00 0.00 61.98 62.73 3ii4 s VAL 373 Cb -0.69 -0.50 -0.01 0.00 0.00 0.00 0.00 36.38 35.18 3ii4 s VAL 373 CO 0.55 0.23 -0.24 -0.69 0.00 0.00 0.00 175.10 174.95 3ii4 s VAL 374 N 1.51 1.98 -0.12 2.92 1.01 -1.26 -0.93 120.40 125.50 3ii4 s VAL 374 Ca -0.02 -1.03 -0.01 0.00 0.00 0.00 0.00 61.98 60.92 3ii4 s VAL 374 Cb -0.13 -1.68 0.03 0.00 0.00 0.00 0.00 36.38 34.61 3ii4 s VAL 374 CO -0.03 0.55 -0.04 0.00 0.00 0.00 0.00 175.10 175.58 3ii4 s ALA 375 N -0.17 1.18 -0.06 5.51 0.00 -0.89 -4.91 121.76 122.42 3ii4 s ALA 375 Ca -0.03 -0.53 0.06 0.00 0.00 0.00 0.00 51.96 51.46 3ii4 s ALA 375 Cb -0.13 -0.95 -0.01 0.00 0.00 0.00 0.00 23.12 22.03 3ii4 s ALA 375 CO 0.03 -0.60 -0.24 0.21 0.00 0.00 0.00 175.76 175.17 3ii4 s LYS 376 N 1.77 2.48 -0.07 0.00 2.20 -1.26 -1.17 119.74 123.69 3ii4 s LYS 376 Ca 0.03 -0.85 0.02 0.00 -0.36 0.00 0.00 55.97 54.81 3ii4 s LYS 376 Cb -0.14 -2.07 0.01 0.00 -1.51 0.00 0.00 37.83 34.12 3ii4 s LYS 376 CO -0.07 0.34 -0.13 0.12 -0.36 0.00 0.00 175.35 175.25 3ii4 s PHE 377 N -0.07 1.51 0.19 4.03 5.36 0.46 -4.96 117.98 124.50 3ii4 s PHE 377 Ca -0.05 -0.57 -0.16 0.00 -0.96 0.00 0.00 56.93 55.19 3ii4 s PHE 377 Cb -0.14 -1.11 -0.08 0.00 -0.34 0.00 0.00 43.02 41.36 3ii4 s PHE 377 CO 0.04 -0.29 0.62 -1.25 -1.46 0.00 0.00 175.22 172.88 3ii4 s PRO 378 N 0.69 4.06 0.00 10.12 0.04 -1.26 -0.27 135.00 148.38 3ii4 s PRO 378 Ca -0.14 0.62 0.18 0.00 0.04 0.00 0.00 61.00 61.70 3ii4 s PRO 378 Cb -0.16 -2.85 0.83 0.00 0.04 0.00 0.00 34.50 32.37 3ii4 s PRO 378 CO 0.03 0.41 1.57 1.19 0.04 0.00 0.00 177.00 180.24 3ii4 n PHE 379 N 0.60 0.00 0.33 0.56 3.72 -1.09 -2.30 117.46 119.27 3ii4 n PHE 379 Ca -0.03 0.00 0.07 0.00 -0.05 0.00 0.00 57.45 57.44 3ii4 n PHE 379 Cb 0.52 -0.41 0.33 0.00 -0.94 0.00 0.00 39.48 38.98 3ii4 n PHE 379 CO 0.00 0.00 0.00 0.25 -0.05 0.00 0.00 176.76 176.96 3ii4 n THR 380 N -1.41 1.17 -0.26 4.37 -2.24 -0.98 -0.80 114.28 114.12 3ii4 n THR 380 Ca 0.06 0.36 0.07 0.00 -2.27 0.00 0.00 64.05 62.27 3ii4 n THR 380 Cb 0.18 -1.24 0.20 0.00 -2.10 0.00 0.00 70.33 67.37 3ii4 n THR 380 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3ii4 n ALA 381 N -1.61 2.27 -3.09 6.98 0.00 -0.97 -4.94 120.51 119.15 3ii4 n ALA 381 Ca 0.02 -1.23 -0.35 0.00 0.00 0.00 0.00 53.44 51.87 3ii4 n ALA 381 Cb 0.13 -0.57 -0.12 0.00 0.00 0.00 0.00 19.45 18.89 3ii4 n ALA 381 CO 0.00 0.00 0.00 1.21 0.00 0.00 0.00 177.50 178.71 3ii4 s ASN 382 N -1.03 4.93 0.17 0.00 3.84 0.02 -5.01 114.94 117.86 3ii4 s ASN 382 Ca 0.30 -0.19 -0.14 0.00 0.21 0.00 0.00 52.86 53.03 3ii4 s ASN 382 Cb 0.16 -1.86 0.10 0.00 -0.55 0.00 0.00 41.25 39.11 3ii4 s ASN 382 CO 0.20 0.04 1.78 0.00 -2.79 0.00 0.00 177.10 176.33 3ii4 h ALA 383 N 7.67 0.57 -0.61 1.71 0.00 -1.90 -2.73 119.26 123.97 3ii4 h ALA 383 Ca -0.37 0.02 0.01 0.00 0.00 0.00 0.00 54.91 54.57 3ii4 h ALA 383 Cb 1.18 -0.07 -0.03 0.00 0.00 0.00 0.00 17.79 18.87 3ii4 h ALA 383 CO 0.61 -0.12 0.40 -0.22 0.00 0.00 0.00 179.25 179.91 3ii4 h LYS 384 N 0.45 0.79 -0.52 0.00 1.63 -1.82 -0.99 116.57 116.11 3ii4 h LYS 384 Ca 0.20 -0.05 0.06 0.00 -0.85 0.00 0.00 60.65 60.01 3ii4 h LYS 384 Cb 0.10 -0.18 -0.05 0.00 -0.60 0.00 0.00 32.23 31.50 3ii4 h LYS 384 CO -0.14 0.52 0.23 0.00 -3.45 0.00 0.00 179.45 176.61 3ii4 h ALA 385 N 1.24 0.66 -0.51 5.00 0.00 -1.76 0.16 119.26 124.04 3ii4 h ALA 385 Ca 0.23 0.04 -0.06 0.00 0.00 0.00 0.00 54.91 55.13 3ii4 h ALA 385 Cb -0.07 -0.02 -0.02 0.00 0.00 0.00 0.00 17.79 17.68 3ii4 h ALA 385 CO -0.06 -0.14 0.10 0.45 0.00 0.00 0.00 179.25 179.59 3ii4 h HIS 386 N 0.45 0.89 -0.91 0.00 3.86 -1.25 -1.99 115.15 116.20 3ii4 h HIS 386 Ca 0.24 -0.12 0.00 0.00 -1.16 0.00 0.00 60.37 59.34 3ii4 h HIS 386 Cb 0.20 -0.25 -0.04 0.00 1.06 0.00 0.00 27.41 28.38 3ii4 h HIS 386 CO -0.13 0.80 0.58 0.78 0.86 0.00 0.00 177.93 180.82 3ii4 h GLY 387 N 0.72 1.29 1.70 2.45 0.00 -0.48 -1.91 103.07 106.83 3ii4 h GLY 387 Ca 0.16 -0.50 -0.05 0.00 0.00 0.00 0.00 47.33 46.94 3ii4 h GLY 387 CO 0.01 0.49 -0.08 -2.08 0.00 0.00 0.00 176.54 174.87 3ii4 h VAL 388 N 1.23 1.19 0.00 4.60 2.07 -0.33 -3.46 116.25 121.55 3ii4 h VAL 388 Ca 0.33 -0.82 0.00 0.00 0.82 0.00 0.00 66.70 67.03 3ii4 h VAL 388 Cb -0.11 1.11 0.00 0.00 -1.52 0.00 0.00 31.29 30.76 3ii4 h VAL 388 CO -0.07 0.27 0.00 0.61 0.02 0.00 0.00 177.57 178.40 3ii4 n GLY 389 N -0.84 1.15 2.78 2.17 0.00 -0.72 -5.05 105.19 104.68 3ii4 n GLY 389 Ca 0.00 0.00 -0.14 0.00 0.00 0.00 0.00 46.02 45.88 3ii4 n GLY 389 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 3ii4 s ASP 390 N -2.00 0.58 -0.08 1.61 2.15 -0.83 -4.99 116.67 113.12 3ii4 s ASP 390 Ca 0.00 -1.66 0.05 0.00 0.43 0.00 0.00 52.55 51.37 3ii4 s ASP 390 Cb 0.00 0.77 0.29 0.00 -0.30 0.00 0.00 42.92 43.68 3ii4 s ASP 390 CO 0.00 -0.22 0.97 -0.81 -0.17 0.00 0.00 175.17 174.95 3ii4 n PRO 391 N 3.98 2.32 -1.97 4.34 -0.04 -1.24 -4.66 135.00 137.73 3ii4 n PRO 391 Ca 0.14 -1.11 -0.28 0.00 -0.04 0.00 0.00 63.50 62.21 3ii4 n PRO 391 Cb 0.48 -1.72 0.09 0.00 -0.04 0.00 0.00 33.50 32.31 3ii4 n PRO 391 CO 0.00 0.00 0.00 -1.54 -0.04 0.00 0.00 175.50 173.92 3ii4 s SER 392 N -0.35 4.50 0.00 3.54 1.04 -1.26 -2.33 113.70 118.84 3ii4 s SER 392 Ca 0.19 0.68 0.00 0.00 0.48 0.00 0.00 55.95 57.30 3ii4 s SER 392 Cb 0.14 -1.18 0.00 0.00 0.10 0.00 0.00 66.02 65.08 3ii4 s SER 392 CO 0.06 -1.88 0.00 0.61 0.98 0.00 0.00 173.24 173.01 3ii4 n GLY 393 N -3.25 -2.37 3.84 7.32 0.00 -1.26 -4.57 105.19 104.90 3ii4 n GLY 393 Ca 0.08 -1.76 -0.03 0.00 0.00 0.00 0.00 46.02 44.31 3ii4 n GLY 393 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 3ii4 s PHE 394 N -0.34 0.02 -0.11 1.61 -0.12 -0.05 -2.68 117.98 116.31 3ii4 s PHE 394 Ca 0.00 -0.39 0.01 0.00 -0.05 0.00 0.00 56.93 56.49 3ii4 s PHE 394 Cb 0.00 0.69 0.02 0.00 -0.63 0.00 0.00 43.02 43.09 3ii4 s PHE 394 CO 0.00 -0.90 -0.12 0.08 -0.05 0.00 0.00 175.22 174.23 3ii4 s VAL 395 N -2.48 1.28 -0.20 -2.49 1.01 0.63 -2.29 120.40 115.87 3ii4 s VAL 395 Ca 0.19 -0.49 0.01 0.00 0.00 0.00 0.00 61.98 61.68 3ii4 s VAL 395 Cb -0.02 -1.21 0.04 0.00 0.00 0.00 0.00 36.38 35.19 3ii4 s VAL 395 CO 0.04 0.40 -0.09 -0.75 0.00 0.00 0.00 175.10 174.70 3ii4 s LYS 396 N 1.23 1.94 -0.04 2.72 2.20 0.91 -0.41 119.74 128.29 3ii4 s LYS 396 Ca -0.03 -0.84 0.01 0.00 -0.36 0.00 0.00 55.97 54.74 3ii4 s LYS 396 Cb -0.14 -2.41 -0.03 0.00 -1.51 0.00 0.00 37.83 33.73 3ii4 s LYS 396 CO -0.04 -0.45 -0.01 -0.51 -0.36 0.00 0.00 175.35 173.98 3ii4 s LEU 397 N 1.41 3.45 -0.14 5.43 1.43 -0.31 -0.01 118.68 129.94 3ii4 s LEU 397 Ca -0.02 0.02 0.01 0.00 -1.03 0.00 0.00 54.13 53.12 3ii4 s LEU 397 Cb -0.17 -1.89 0.02 0.00 0.03 0.00 0.00 46.19 44.18 3ii4 s LEU 397 CO -0.08 0.32 -0.18 -0.69 0.23 0.00 0.00 176.35 175.96 3ii4 s VAL 398 N -0.98 1.76 0.17 -1.59 1.01 0.23 -2.10 120.40 118.90 3ii4 s VAL 398 Ca 0.16 -0.78 0.02 0.00 0.00 0.00 0.00 61.98 61.39 3ii4 s VAL 398 Cb -0.11 -1.60 -0.05 0.00 0.00 0.00 0.00 36.38 34.62 3ii4 s VAL 398 CO 0.06 0.49 -0.01 0.00 0.00 0.00 0.00 175.10 175.65 3ii4 s ALA 399 N 1.12 1.36 0.00 5.51 0.00 -0.11 0.51 121.76 130.16 3ii4 s ALA 399 Ca -0.02 -1.58 -0.16 0.00 0.00 0.00 0.00 51.96 50.20 3ii4 s ALA 399 Cb -0.14 0.49 -0.06 0.00 0.00 0.00 0.00 23.12 23.41 3ii4 s ALA 399 CO -0.06 -0.30 0.45 0.34 0.00 0.00 0.00 175.76 176.19 3ii4 s ASP 400 N -3.17 6.85 0.00 0.00 2.15 0.28 -0.05 116.67 122.74 3ii4 s ASP 400 Ca 0.23 1.02 0.19 0.00 0.43 0.00 0.00 52.55 54.41 3ii4 s ASP 400 Cb 0.06 -2.28 0.82 0.00 -0.30 0.00 0.00 42.92 41.22 3ii4 s ASP 400 CO 0.03 0.28 1.60 0.00 -0.17 0.00 0.00 175.17 176.92 3ii4 n ALA 401 N 1.98 1.87 0.17 3.66 0.00 0.80 -1.57 120.51 127.42 3ii4 n ALA 401 Ca -0.12 -0.07 -0.11 0.00 0.00 0.00 0.00 53.44 53.14 3ii4 n ALA 401 Cb 0.52 -1.31 -0.06 0.00 0.00 0.00 0.00 19.45 18.61 3ii4 n ALA 401 CO 0.00 0.00 0.00 -0.22 0.00 0.00 0.00 177.50 177.28 3ii4 h LYS 402 N 0.00 -0.56 0.00 0.00 3.64 -1.94 -3.37 116.57 114.34 3ii4 h LYS 402 Ca 0.00 0.04 0.00 0.00 -1.27 0.00 0.00 60.65 59.42 3ii4 h LYS 402 Cb 0.32 0.13 0.00 0.00 -0.41 0.00 0.00 32.23 32.26 3ii4 h LYS 402 CO 0.00 -0.37 0.00 0.72 -2.27 0.00 0.00 179.45 177.53 3ii4 n HIS 403 N -4.16 0.00 -1.66 1.91 8.25 -1.26 -5.00 115.22 113.30 3ii4 n HIS 403 Ca -0.07 -0.06 0.00 0.00 -0.26 0.00 0.00 57.72 57.34 3ii4 n HIS 403 Cb 0.27 -0.01 0.00 0.00 1.12 0.00 0.00 29.99 31.37 3ii4 n HIS 403 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 3ii4 n GLY 404 N -0.06 0.82 3.77 -1.41 0.00 -0.61 -4.56 105.19 103.14 3ii4 n GLY 404 Ca 0.00 -0.63 -0.39 0.00 0.00 0.00 0.00 46.02 45.00 3ii4 n GLY 404 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3ii4 s GLU 405 N -3.48 4.71 0.40 1.61 2.02 -1.19 -0.88 118.70 121.90 3ii4 s GLU 405 Ca 0.00 1.42 -0.24 0.00 0.02 0.00 0.00 54.97 56.17 3ii4 s GLU 405 Cb 0.00 -3.04 -0.09 0.00 0.10 0.00 0.00 34.13 31.10 3ii4 s GLU 405 CO 0.00 0.39 1.08 -0.51 0.02 0.00 0.00 175.26 176.24 3ii4 s LEU 406 N -1.62 4.15 -0.00 1.80 1.43 -1.26 -0.55 118.68 122.62 3ii4 s LEU 406 Ca 0.46 2.12 0.01 0.00 -1.03 0.00 0.00 54.13 55.68 3ii4 s LEU 406 Cb -0.23 -4.14 -0.01 0.00 0.03 0.00 0.00 46.19 41.84 3ii4 s LEU 406 CO 0.28 -0.55 0.01 0.18 0.23 0.00 0.00 176.35 176.50 3ii4 n LEU 407 N -0.04 0.00 -3.60 1.79 4.77 0.18 -4.83 117.00 115.27 3ii4 n LEU 407 Ca 0.05 0.00 -0.04 0.00 -0.03 0.00 0.00 56.01 55.99 3ii4 n LEU 407 Cb 0.49 0.01 -0.02 0.00 -2.33 0.00 0.00 43.42 41.57 3ii4 n LEU 407 CO 0.46 0.01 1.03 -0.83 -1.33 0.00 0.00 177.39 176.73 3ii4 s GLY 408 N -2.76 -0.27 -0.02 -0.72 0.00 -0.64 -0.36 107.32 102.55 3ii4 s GLY 408 Ca -0.00 1.68 0.01 0.00 0.00 0.00 0.00 44.72 46.40 3ii4 s GLY 408 CO 0.03 0.57 -0.03 -0.32 0.00 0.00 0.00 173.10 173.34 3ii4 s GLY 409 N -2.12 0.27 -0.04 0.20 0.00 -0.18 -0.60 107.32 104.85 3ii4 s GLY 409 Ca 0.09 -0.05 -0.02 0.00 0.00 0.00 0.00 44.72 44.75 3ii4 s GLY 409 CO -0.04 0.19 0.06 0.30 0.00 0.00 0.00 173.10 173.61 3ii4 s HIS 410 N 0.44 0.05 0.06 1.90 3.76 0.98 -1.55 115.29 120.92 3ii4 s HIS 410 Ca -0.05 0.25 -0.03 0.00 -0.15 0.00 0.00 55.06 55.08 3ii4 s HIS 410 Cb -0.08 -0.45 -0.03 0.00 1.11 0.00 0.00 32.58 33.13 3ii4 s HIS 410 CO -0.01 -0.18 0.03 -0.48 -0.85 0.00 0.00 174.74 173.26 3ii4 s LEU 411 N 2.06 2.15 -0.06 0.89 2.34 0.29 -0.06 118.68 126.28 3ii4 s LEU 411 Ca 0.03 -0.84 -0.02 0.00 0.06 0.00 0.00 54.13 53.36 3ii4 s LEU 411 Cb -0.12 0.43 0.04 0.00 -0.56 0.00 0.00 46.19 45.98 3ii4 s LEU 411 CO -0.03 -0.60 0.12 0.54 -1.06 0.00 0.00 176.35 175.32 3ii4 s VAL 412 N -3.61 -0.12 0.00 1.48 0.11 -0.97 -1.03 120.40 116.25 3ii4 s VAL 412 Ca 0.04 0.27 0.00 0.00 -2.93 0.00 0.00 61.98 59.36 3ii4 s VAL 412 Cb 0.05 -0.22 0.00 0.00 -1.53 0.00 0.00 36.38 34.68 3ii4 s VAL 412 CO -0.09 0.11 0.00 0.61 -3.33 0.00 0.00 175.10 172.40 3ii4 n GLY 413 N 4.67 0.28 3.58 6.54 0.00 -0.63 -0.88 105.19 118.76 3ii4 n GLY 413 Ca -0.17 -1.01 -0.47 0.00 0.00 0.00 0.00 46.02 44.37 3ii4 n GLY 413 CO 0.00 0.00 0.00 1.57 0.00 0.00 0.00 173.32 174.89 3ii4 n HIS 414 N -0.40 2.00 -3.98 1.61 -0.00 -1.26 -1.00 115.22 112.19 3ii4 n HIS 414 Ca 0.00 0.01 -0.32 0.00 -0.00 0.00 0.00 57.72 57.41 3ii4 n HIS 414 Cb 0.00 -2.66 -0.02 0.00 -0.00 0.00 0.00 29.99 27.31 3ii4 n HIS 414 CO 0.00 0.00 0.00 -0.25 -0.00 0.00 0.00 176.34 176.09 3ii4 n ASP 415 N 9.44 -3.47 0.20 0.26 8.00 -1.26 -4.85 116.55 124.88 3ii4 n ASP 415 Ca 0.31 -0.82 0.15 0.00 0.71 0.00 0.00 54.79 55.13 3ii4 n ASP 415 Cb 0.34 -2.84 0.67 0.00 -0.02 0.00 0.00 41.12 39.26 3ii4 n ASP 415 CO 0.00 0.00 0.00 -0.37 -0.39 0.00 0.00 177.20 176.44 3ii4 h VAL 416 N -1.37 0.00 -0.78 2.53 -1.51 -1.78 -3.04 116.25 110.30 3ii4 h VAL 416 Ca -0.54 -0.21 0.18 0.00 -1.23 0.00 0.00 66.70 64.90 3ii4 h VAL 416 Cb 1.35 0.99 -0.05 0.00 -2.13 0.00 0.00 31.29 31.46 3ii4 h VAL 416 CO 0.70 0.00 0.53 0.00 -1.23 0.00 0.00 177.57 177.58 3ii4 h ALA 417 N 2.10 2.34 0.00 5.19 0.00 -1.87 0.45 119.26 127.47 3ii4 h ALA 417 Ca 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 3ii4 h ALA 417 Cb 0.26 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.04 3ii4 h ALA 417 CO 0.00 -0.57 0.00 0.39 0.00 0.00 0.00 179.25 179.07 3ii4 n GLU 418 N -4.43 0.11 0.00 0.00 -0.58 -1.15 -3.66 120.64 110.92 3ii4 n GLU 418 Ca 0.16 0.28 0.14 0.00 -0.42 0.00 0.00 57.16 57.31 3ii4 n GLU 418 Cb 0.67 -1.68 0.51 0.00 -0.57 0.00 0.00 31.44 30.36 3ii4 n GLU 418 CO 0.00 0.00 0.00 1.28 -0.48 0.00 0.00 177.13 177.93 3ii4 n LEU 419 N -1.88 1.12 0.00 -4.62 4.77 0.15 -4.42 117.00 112.11 3ii4 n LEU 419 Ca 0.04 -0.32 -0.09 0.00 -0.03 0.00 0.00 56.01 55.61 3ii4 n LEU 419 Cb 0.25 -0.07 0.07 0.00 -2.33 0.00 0.00 43.42 41.34 3ii4 n LEU 419 CO 0.20 0.20 0.51 -0.07 -1.33 0.00 0.00 177.39 176.89 3ii4 h LEU 420 N 1.59 0.60 -0.79 2.23 3.38 -1.72 -3.38 115.31 117.23 3ii4 h LEU 420 Ca 0.00 -0.31 0.11 0.00 0.09 0.00 0.00 57.88 57.77 3ii4 h LEU 420 Cb 0.46 -0.17 -0.12 0.00 0.09 0.00 0.00 40.66 40.92 3ii4 h LEU 420 CO 0.00 1.01 -0.35 -2.65 0.09 0.00 0.00 178.44 176.54 3ii4 n PRO 421 N -3.97 -0.23 -0.34 1.13 -0.02 -1.26 -0.73 135.00 129.58 3ii4 n PRO 421 Ca -0.03 1.21 0.02 0.00 -2.02 0.00 0.00 63.50 62.69 3ii4 n PRO 421 Cb 0.58 -1.79 0.17 0.00 -0.02 0.00 0.00 33.50 32.44 3ii4 n PRO 421 CO 0.00 0.00 0.00 1.49 1.98 0.00 0.00 175.50 178.97 3ii4 h GLU 422 N 0.00 1.01 -0.14 -0.52 4.81 -1.93 -1.58 114.58 116.23 3ii4 h GLU 422 Ca 0.24 -0.06 -0.05 0.00 -0.13 0.00 0.00 59.36 59.36 3ii4 h GLU 422 Cb 0.43 -0.23 -0.00 0.00 0.63 0.00 0.00 28.75 29.58 3ii4 h GLU 422 CO -0.77 0.67 -0.10 -0.07 -0.73 0.00 0.00 179.01 178.00 3ii4 h LEU 423 N 1.04 0.33 -0.97 1.64 3.38 -1.16 -1.95 115.31 117.61 3ii4 h LEU 423 Ca 0.42 -0.45 -0.11 0.00 0.09 0.00 0.00 57.88 57.82 3ii4 h LEU 423 Cb 0.23 -0.09 -0.02 0.00 0.09 0.00 0.00 40.66 40.87 3ii4 h LEU 423 CO -0.19 0.71 -0.51 0.71 0.09 0.00 0.00 178.44 179.25 3ii4 h THR 424 N -0.05 1.36 -0.18 0.22 1.35 -1.36 -1.22 112.91 113.03 3ii4 h THR 424 Ca 0.03 -1.77 -0.05 0.00 -0.55 0.00 0.00 66.41 64.07 3ii4 h THR 424 Cb 0.61 1.95 -0.01 0.00 -1.73 0.00 0.00 68.15 68.98 3ii4 h THR 424 CO 0.03 0.50 -0.07 0.25 -0.25 0.00 0.00 175.52 175.98 3ii4 h LEU 425 N 0.00 0.37 -0.54 3.87 5.85 -1.27 -0.74 115.31 122.85 3ii4 h LEU 425 Ca -0.01 -0.39 -0.04 0.00 0.84 0.00 0.00 57.88 58.28 3ii4 h LEU 425 Cb 0.91 -0.10 -0.02 0.00 0.37 0.00 0.00 40.66 41.82 3ii4 h LEU 425 CO 0.07 0.68 0.16 0.00 -0.34 0.00 0.00 178.44 179.01 3ii4 h ALA 426 N 0.70 0.71 -0.17 1.25 0.00 -1.15 -1.80 119.26 118.80 3ii4 h ALA 426 Ca 0.04 -0.20 -0.11 0.00 0.00 0.00 0.00 54.91 54.64 3ii4 h ALA 426 Cb 0.53 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 18.10 3ii4 h ALA 426 CO 0.02 0.37 -0.38 0.37 0.00 0.00 0.00 179.25 179.63 3ii4 h GLN 427 N 0.75 0.39 -0.42 0.00 -0.00 -1.21 0.77 115.11 115.39 3ii4 h GLN 427 Ca 0.17 -0.18 -0.15 0.00 -0.00 0.00 0.00 58.65 58.49 3ii4 h GLN 427 Cb 0.29 -0.00 -0.01 0.00 0.00 0.00 0.00 27.48 27.76 3ii4 h GLN 427 CO -0.00 0.72 -0.33 -0.09 0.00 0.00 0.00 178.83 179.12 3ii4 h ARG 428 N 0.32 0.96 -0.51 1.69 9.65 -0.85 -3.29 114.38 122.34 3ii4 h ARG 428 Ca 0.03 -0.47 -0.27 0.00 -1.10 0.00 0.00 59.98 58.17 3ii4 h ARG 428 Cb 0.82 0.00 -0.16 0.00 -1.39 0.00 0.00 29.97 29.24 3ii4 h ARG 428 CO 0.07 1.13 0.08 0.91 2.80 0.00 0.00 179.97 184.96 3ii4 n TRP 429 N -4.07 1.58 -3.62 2.20 7.02 -0.70 -4.98 117.44 114.87 3ii4 n TRP 429 Ca -0.01 -1.70 -0.20 0.00 -1.02 0.00 0.00 57.50 54.56 3ii4 n TRP 429 Cb 0.52 -0.61 0.05 0.00 -2.42 0.00 0.00 31.31 28.85 3ii4 n TRP 429 CO 0.00 0.00 0.00 -0.25 -2.02 0.00 0.00 177.69 175.42 3ii4 n ASP 430 N -1.13 -1.76 -4.45 -0.99 8.00 -1.01 -4.99 116.55 110.22 3ii4 n ASP 430 Ca 0.40 -0.78 -0.37 0.00 0.71 0.00 0.00 54.79 54.75 3ii4 n ASP 430 Cb 1.18 -4.32 -0.12 0.00 -0.02 0.00 0.00 41.12 37.84 3ii4 n ASP 430 CO 0.00 0.00 0.00 -0.76 -0.39 0.00 0.00 177.20 176.05 3ii4 s LEU 431 N -6.54 3.74 0.00 0.64 1.43 0.23 -5.05 118.68 113.14 3ii4 s LEU 431 Ca 0.04 -0.33 -0.08 0.00 -1.03 0.00 0.00 54.13 52.73 3ii4 s LEU 431 Cb -0.01 -1.96 0.18 0.00 0.03 0.00 0.00 46.19 44.42 3ii4 s LEU 431 CO 0.79 -0.10 1.13 0.35 0.23 0.00 0.00 176.35 178.75 3ii4 n THR 432 N 4.95 0.00 -0.29 5.49 -2.24 -1.26 -4.48 114.28 116.46 3ii4 n THR 432 Ca -0.15 -1.26 0.05 0.00 -2.27 0.00 0.00 64.05 60.42 3ii4 n THR 432 Cb 0.50 -1.20 0.20 0.00 -2.10 0.00 0.00 70.33 67.73 3ii4 n THR 432 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3ii4 h ALA 433 N -1.18 1.21 -0.94 6.98 0.00 -1.25 -0.93 119.26 123.15 3ii4 h ALA 433 Ca -0.37 0.07 0.03 0.00 0.00 0.00 0.00 54.91 54.64 3ii4 h ALA 433 Cb 1.17 -0.04 -0.05 0.00 0.00 0.00 0.00 17.79 18.87 3ii4 h ALA 433 CO 0.32 -0.05 0.62 0.77 0.00 0.00 0.00 179.25 180.91 3ii4 h SER 434 N 0.65 1.03 -0.08 0.00 0.02 -1.86 0.43 113.55 113.74 3ii4 h SER 434 Ca 0.43 -0.01 -0.11 0.00 -0.84 0.00 0.00 61.79 61.26 3ii4 h SER 434 Cb 0.55 -0.24 0.00 0.00 0.14 0.00 0.00 62.40 62.85 3ii4 h SER 434 CO -0.33 0.71 -0.37 -0.33 -1.14 0.00 0.00 176.83 175.38 3ii4 h GLU 435 N 1.20 0.39 -0.17 3.45 3.07 -1.65 -3.23 114.58 117.64 3ii4 h GLU 435 Ca 0.37 -0.32 -0.04 0.00 -0.50 0.00 0.00 59.36 58.88 3ii4 h GLU 435 Cb -0.01 0.06 -0.01 0.00 -0.84 0.00 0.00 28.75 27.95 3ii4 h GLU 435 CO -0.11 0.95 -0.06 -0.07 -1.40 0.00 0.00 179.01 178.32 3ii4 h LEU 436 N -0.07 0.23 -0.06 1.33 3.38 -0.79 -2.01 115.31 117.32 3ii4 h LEU 436 Ca -0.02 -0.04 0.00 0.00 0.09 0.00 0.00 57.88 57.91 3ii4 h LEU 436 Cb 1.02 -0.06 0.00 0.00 0.09 0.00 0.00 40.66 41.71 3ii4 h LEU 436 CO 0.08 0.33 0.00 0.00 0.09 0.00 0.00 178.44 178.94 3ii4 n ALA 437 N -2.49 1.59 0.96 1.53 0.00 0.15 -2.30 120.51 119.95 3ii4 n ALA 437 Ca -0.00 -0.03 0.11 0.00 0.00 0.00 0.00 53.44 53.51 3ii4 n ALA 437 Cb 0.22 -1.22 0.01 0.00 0.00 0.00 0.00 19.45 18.46 3ii4 n ALA 437 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 3ii4 n ARG 438 N -1.55 1.38 -2.74 0.00 5.12 -0.76 -4.90 116.66 113.22 3ii4 n ARG 438 Ca 0.03 -1.08 -0.43 0.00 -1.93 0.00 0.00 57.85 54.44 3ii4 n ARG 438 Cb 0.15 -1.45 -0.03 0.00 -1.16 0.00 0.00 32.46 29.97 3ii4 n ARG 438 CO 0.00 0.00 0.00 1.21 -1.93 0.00 0.00 177.63 176.91 3ii4 s ASN 439 N -2.35 6.96 0.14 0.55 3.04 -0.97 -5.01 114.94 117.30 3ii4 s ASN 439 Ca 0.19 1.17 -0.30 0.00 0.04 0.00 0.00 52.86 53.96 3ii4 s ASN 439 Cb 0.18 -2.50 -0.07 0.00 -1.54 0.00 0.00 41.25 37.32 3ii4 s ASN 439 CO 0.52 -0.67 1.07 -0.69 -3.04 0.00 0.00 177.10 174.29 3ii4 s VAL 440 N 3.18 4.10 -0.17 -5.21 1.01 -1.26 -4.99 120.40 117.06 3ii4 s VAL 440 Ca 0.41 1.75 -0.03 0.00 0.00 0.00 0.00 61.98 64.11 3ii4 s VAL 440 Cb -0.14 -4.11 -0.02 0.00 0.00 0.00 0.00 36.38 32.10 3ii4 s VAL 440 CO 0.09 0.27 -0.06 -1.00 0.00 0.00 0.00 175.10 174.40 3ii4 s HIS 441 N 0.01 2.95 0.42 5.22 0.09 -1.26 -5.09 115.29 117.63 3ii4 s HIS 441 Ca 0.50 -0.56 -0.24 0.00 -0.00 0.00 0.00 55.06 54.76 3ii4 s HIS 441 Cb -0.27 -1.98 -0.11 0.00 -0.00 0.00 0.00 32.58 30.21 3ii4 s HIS 441 CO 0.33 -0.23 0.83 2.41 -0.00 0.00 0.00 174.74 178.08 3ii4 n THR 442 N 3.93 2.23 -4.98 1.30 -1.04 -1.26 -4.90 114.28 109.56 3ii4 n THR 442 Ca -0.18 -0.50 -0.32 0.00 -2.04 0.00 0.00 64.05 61.01 3ii4 n THR 442 Cb 0.52 -0.90 -0.14 0.00 -1.82 0.00 0.00 70.33 67.99 3ii4 n THR 442 CO 0.00 0.00 0.00 -2.28 -0.64 0.00 0.00 175.07 172.15 3ii4 s HIS 443 N -1.33 2.63 -0.25 -1.42 2.46 -1.26 -3.39 115.29 112.73 3ii4 s HIS 443 Ca 0.64 -0.35 -0.10 0.00 0.47 0.00 0.00 55.06 55.72 3ii4 s HIS 443 Cb -0.58 -1.64 -0.04 0.00 -0.13 0.00 0.00 32.58 30.18 3ii4 s HIS 443 CO 0.57 0.04 0.14 -1.25 -2.47 0.00 0.00 174.74 171.76 3ii4 s PRO 444 N -0.46 3.91 0.09 2.88 0.04 -1.26 -5.18 135.00 135.02 3ii4 s PRO 444 Ca 0.05 -0.35 -0.01 0.00 0.04 0.00 0.00 61.00 60.74 3ii4 s PRO 444 Cb -0.12 -3.49 -0.04 0.00 0.04 0.00 0.00 34.50 30.89 3ii4 s PRO 444 CO 0.02 -0.07 0.00 0.95 0.04 0.00 0.00 177.00 177.94 3ii4 s THR 445 N 1.38 0.25 0.28 1.26 -4.23 -1.22 -4.61 115.64 108.74 3ii4 s THR 445 Ca 0.06 -1.87 0.00 0.00 -1.18 0.00 0.00 61.69 58.71 3ii4 s THR 445 Cb -0.15 -1.77 0.11 0.00 1.34 0.00 0.00 72.50 72.03 3ii4 s THR 445 CO 0.06 -0.75 1.77 0.24 -0.54 0.00 0.00 174.62 175.40 3ii4 h MET 446 N 3.00 0.67 -0.52 3.99 2.86 -1.93 -2.64 114.93 120.34 3ii4 h MET 446 Ca -0.35 -0.19 0.15 0.00 -2.06 0.00 0.00 59.70 57.25 3ii4 h MET 446 Cb 1.17 -0.07 -0.02 0.00 0.06 0.00 0.00 31.60 32.74 3ii4 h MET 446 CO 0.63 0.73 0.54 0.66 1.06 0.00 0.00 176.91 180.54 3ii4 h SER 447 N 0.62 0.00 -0.04 1.22 4.64 -1.96 0.13 113.55 118.17 3ii4 h SER 447 Ca 0.12 0.00 0.01 0.00 -0.47 0.00 0.00 61.79 61.45 3ii4 h SER 447 Cb 0.49 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 62.58 3ii4 h SER 447 CO 0.03 0.00 0.04 -0.33 -0.87 0.00 0.00 176.83 175.70 3ii4 h GLU 448 N 0.00 0.00 -0.78 4.77 5.08 -1.75 -0.19 114.58 121.70 3ii4 h GLU 448 Ca 0.25 0.00 -0.03 0.00 -1.00 0.00 0.00 59.36 58.58 3ii4 h GLU 448 Cb 1.33 0.00 -0.04 0.00 0.50 0.00 0.00 28.75 30.54 3ii4 h GLU 448 CO -0.00 0.00 0.36 0.00 -1.00 0.00 0.00 179.01 178.37 3ii4 h ALA 449 N 1.95 1.01 -0.38 3.43 0.00 -0.94 -1.64 119.26 122.70 3ii4 h ALA 449 Ca 0.02 -0.16 -0.00 0.00 0.00 0.00 0.00 54.91 54.76 3ii4 h ALA 449 Cb 0.10 -0.31 -0.02 0.00 0.00 0.00 0.00 17.79 17.56 3ii4 h ALA 449 CO -0.00 0.59 0.23 -0.07 0.00 0.00 0.00 179.25 180.00 3ii4 h LEU 450 N 1.11 0.45 -0.62 0.00 3.38 -1.19 -2.24 115.31 116.20 3ii4 h LEU 450 Ca 0.27 -0.05 0.11 0.00 0.09 0.00 0.00 57.88 58.29 3ii4 h LEU 450 Cb 0.14 -0.11 -0.08 0.00 0.09 0.00 0.00 40.66 40.70 3ii4 h LEU 450 CO -0.03 0.37 0.20 -0.61 0.09 0.00 0.00 178.44 178.46 3ii4 h GLN 451 N 0.49 0.35 -0.49 1.13 4.15 -1.12 -0.91 115.11 118.72 3ii4 h GLN 451 Ca 0.13 -0.02 -0.01 0.00 0.77 0.00 0.00 58.65 59.53 3ii4 h GLN 451 Cb 0.00 -0.08 -0.02 0.00 0.21 0.00 0.00 27.48 27.59 3ii4 h GLN 451 CO -0.03 0.23 0.28 0.93 -1.93 0.00 0.00 178.83 178.32 3ii4 h GLU 452 N 0.36 0.68 -0.88 1.69 4.39 -0.95 -2.37 114.58 117.49 3ii4 h GLU 452 Ca 0.32 -0.07 0.05 0.00 0.34 0.00 0.00 59.36 60.00 3ii4 h GLU 452 Cb 0.44 -0.14 -0.05 0.00 -0.10 0.00 0.00 28.75 28.90 3ii4 h GLU 452 CO -0.35 0.51 0.58 0.00 -1.16 0.00 0.00 179.01 178.59 3ii4 h PHE 454 N 1.06 0.27 -0.78 0.00 0.05 -0.72 -0.56 116.94 116.26 3ii4 h PHE 454 Ca 0.36 0.01 0.00 0.00 3.82 0.00 0.00 57.97 62.16 3ii4 h PHE 454 Cb 0.09 -0.09 -0.04 0.00 2.00 0.00 0.00 35.95 37.91 3ii4 h PHE 454 CO -0.00 0.17 0.50 0.45 -0.18 0.00 0.00 178.31 179.25 3ii4 h HIS 455 N 0.29 0.99 -0.88 -0.55 3.86 -0.85 -0.95 115.15 117.06 3ii4 h HIS 455 Ca 0.08 0.02 0.01 0.00 -1.16 0.00 0.00 60.37 59.31 3ii4 h HIS 455 Cb -0.03 -0.33 -0.04 0.00 1.06 0.00 0.00 27.41 28.06 3ii4 h HIS 455 CO -0.06 0.64 0.59 0.78 0.86 0.00 0.00 177.93 180.73 3ii4 h GLY 456 N 1.07 1.25 0.78 2.45 0.00 -0.05 0.55 103.07 109.12 3ii4 h GLY 456 Ca 0.28 -0.46 -0.04 0.00 0.00 0.00 0.00 47.33 47.11 3ii4 h GLY 456 CO -0.06 0.45 -0.04 1.41 0.00 0.00 0.00 176.54 178.30 3ii4 h LEU 457 N 1.19 0.33 -1.36 3.11 -0.00 -0.32 -3.09 115.31 115.18 3ii4 h LEU 457 Ca 0.33 -0.36 -0.07 0.00 -0.00 0.00 0.00 57.88 57.77 3ii4 h LEU 457 Cb -0.13 -0.09 -0.01 0.00 -0.00 0.00 0.00 40.66 40.43 3ii4 h LEU 457 CO -0.07 0.62 -0.32 0.58 -0.00 0.00 0.00 178.44 179.24 3ii4 h VAL 458 N 0.03 1.15 0.00 1.22 2.07 -0.78 -3.48 116.25 116.46 3ii4 h VAL 458 Ca 0.04 -1.13 0.00 0.00 0.82 0.00 0.00 66.70 66.44 3ii4 h VAL 458 Cb 0.47 1.62 0.00 0.00 -1.52 0.00 0.00 31.29 31.86 3ii4 h VAL 458 CO 0.02 0.31 0.00 0.61 0.02 0.00 0.00 177.57 178.53 3ii4 n GLY 459 N -0.52 -1.86 3.22 2.17 0.00 0.19 -5.08 105.19 103.31 3ii4 n GLY 459 Ca -0.02 0.75 -0.29 0.00 0.00 0.00 0.00 46.02 46.46 3ii4 n GLY 459 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 3ii4 s HIS 460 N 0.00 2.12 1.08 1.61 0.09 -1.09 -4.56 115.29 114.54 3ii4 s HIS 460 Ca 0.00 -0.60 -0.14 0.00 -0.00 0.00 0.00 55.06 54.32 3ii4 s HIS 460 Cb 0.00 -1.40 0.23 0.00 -0.00 0.00 0.00 32.58 31.41 3ii4 s HIS 460 CO 0.00 -0.18 1.09 -1.64 -0.00 0.00 0.00 174.74 174.02 3ii4 s MET 461 N -0.14 -0.19 -0.12 1.40 1.00 -1.26 -4.45 119.30 115.54 3ii4 s MET 461 Ca -0.02 0.35 -0.04 0.00 0.00 0.00 0.00 55.69 55.97 3ii4 s MET 461 Cb -0.12 -1.68 -0.06 0.00 0.00 0.00 0.00 34.83 32.97 3ii4 s MET 461 CO 0.03 -3.11 -0.14 -0.89 0.00 0.00 0.00 175.02 170.90 3ii4 n ILE 462 N -4.41 0.66 -1.34 2.53 5.41 -1.26 -4.71 119.36 116.22 3ii4 n ILE 462 Ca 0.07 -0.19 -0.29 0.00 1.00 0.00 0.00 62.75 63.35 3ii4 n ILE 462 Cb 0.58 -1.48 0.03 0.00 -0.71 0.00 0.00 39.64 38.05 3ii4 n ILE 462 CO 0.00 0.00 0.00 0.59 0.00 0.00 0.00 176.55 177.14 3ii4 n ASN 463 N -3.37 7.03 0.00 4.38 3.02 -1.26 -5.24 115.26 119.82 3ii4 n ASN 463 Ca -0.23 -3.45 0.00 0.00 -0.03 0.00 0.00 54.58 50.87 3ii4 n ASN 463 Cb 0.68 -1.08 0.00 0.00 -0.61 0.00 0.00 39.78 38.77 3ii4 n ASN 463 CO 0.00 0.00 0.00 0.33 -2.62 0.00 0.00 177.26 174.97