#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3c5h h GLU 6 N 0.00 0.00 0.00 -0.14 4.57 -2.02 -2.81 114.58 114.18 3c5h h GLU 6 Ca 0.00 0.00 0.00 0.00 -1.18 0.00 0.00 59.36 58.18 3c5h h GLU 6 Cb 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 28.59 3c5h h GLU 6 CO 0.00 0.27 -0.03 0.09 -1.18 0.00 0.00 179.01 178.16 3c5h n ASN 7 N -3.47 0.39 -4.82 1.04 3.02 -1.26 -4.87 115.26 105.29 3c5h n ASN 7 Ca -0.00 0.51 -0.33 0.00 -0.03 0.00 0.00 54.58 54.73 3c5h n ASN 7 Cb 0.44 -0.60 -0.07 0.00 -0.61 0.00 0.00 39.78 38.95 3c5h n ASN 7 CO 0.00 0.00 0.00 -0.76 -2.62 0.00 0.00 177.26 173.88 3c5h s LEU 8 N -3.71 3.93 0.04 3.41 1.43 -1.06 -5.00 118.68 117.70 3c5h s LEU 8 Ca 0.12 1.70 -0.31 0.00 -1.03 0.00 0.00 54.13 54.61 3c5h s LEU 8 Cb 0.16 -4.54 -0.18 0.00 0.03 0.00 0.00 46.19 41.66 3c5h s LEU 8 CO 0.57 -0.39 1.36 0.22 0.23 0.00 0.00 176.35 178.34 3c5h h TYR 9 N 1.86 -0.96 -3.36 0.29 3.20 -1.89 -3.42 116.97 112.69 3c5h h TYR 9 Ca -0.49 -0.02 -0.64 0.00 3.14 0.00 0.00 58.73 60.72 3c5h h TYR 9 Cb 1.18 0.32 -0.22 0.00 1.54 0.00 0.00 36.73 39.55 3c5h h TYR 9 CO 0.62 -0.58 -0.66 -0.06 -1.64 0.00 0.00 178.16 175.84 3c5h s PHE 10 N -5.35 3.03 -0.17 -3.82 0.08 -1.26 -4.90 117.98 105.59 3c5h s PHE 10 Ca -0.17 -0.38 0.29 0.00 0.12 0.00 0.00 56.93 56.79 3c5h s PHE 10 Cb 0.02 -2.02 0.95 0.00 -0.57 0.00 0.00 43.02 41.40 3c5h s PHE 10 CO 0.53 -0.14 1.82 -0.56 -0.10 0.00 0.00 175.22 176.78 3c5h h GLN 11 N 7.09 0.00 0.00 0.44 3.07 -1.88 -3.47 115.11 120.35 3c5h h GLN 11 Ca -0.34 0.00 0.00 0.00 0.09 0.00 0.00 58.65 58.40 3c5h h GLN 11 Cb 1.18 0.00 0.00 0.00 0.08 0.00 0.00 27.48 28.74 3c5h h GLN 11 CO 0.62 0.00 0.00 0.41 0.09 0.00 0.00 178.83 179.95 3c5h n GLY 12 N 0.47 1.62 3.46 0.06 0.00 -1.26 -4.87 105.19 104.67 3c5h n GLY 12 Ca 0.02 -0.26 -0.33 0.00 0.00 0.00 0.00 46.02 45.46 3c5h n GLY 12 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3c5h s THR 13 N -0.29 3.08 -0.16 2.61 2.01 -1.26 -0.58 115.64 121.05 3c5h s THR 13 Ca 0.00 -0.71 -0.02 0.00 0.31 0.00 0.00 61.69 61.27 3c5h s THR 13 Cb 0.00 -2.22 0.05 0.00 0.01 0.00 0.00 72.50 70.34 3c5h s THR 13 CO 0.00 0.58 0.02 -0.31 -0.69 0.00 0.00 174.62 174.22 3c5h s TYR 14 N -0.55 0.97 -0.33 4.92 2.02 0.15 -4.99 117.35 119.55 3c5h s TYR 14 Ca 0.08 -0.70 -0.15 0.00 -0.37 0.00 0.00 57.07 55.93 3c5h s TYR 14 Cb -0.12 -0.99 -0.02 0.00 -0.40 0.00 0.00 41.96 40.44 3c5h s TYR 14 CO 0.01 -0.54 0.37 -0.80 -1.57 0.00 0.00 175.55 173.03 3c5h s ASN 15 N 1.88 6.20 -0.13 2.29 0.01 -1.26 -0.92 114.94 123.00 3c5h s ASN 15 Ca 0.01 -0.11 0.01 0.00 -0.71 0.00 0.00 52.86 52.06 3c5h s ASN 15 Cb -0.16 -2.20 -0.01 0.00 0.41 0.00 0.00 41.25 39.29 3c5h s ASN 15 CO -0.07 -0.32 -0.17 -0.63 -1.51 0.00 0.00 177.10 174.40 3c5h s ILE 16 N 2.06 2.66 -0.20 0.60 1.01 -0.14 -0.46 121.20 126.74 3c5h s ILE 16 Ca 0.13 -0.79 -0.04 0.00 0.00 0.00 0.00 60.65 59.94 3c5h s ILE 16 Cb -0.16 -2.10 -0.02 0.00 0.01 0.00 0.00 42.46 40.19 3c5h s ILE 16 CO 0.11 0.53 -0.02 -0.55 0.00 0.00 0.00 174.94 175.01 3c5h s SER 17 N 0.48 4.64 -0.26 3.58 0.15 -0.71 -1.23 113.70 120.35 3c5h s SER 17 Ca -0.11 -0.25 -0.11 0.00 0.70 0.00 0.00 55.95 56.17 3c5h s SER 17 Cb -0.16 -1.79 -0.05 0.00 -1.71 0.00 0.00 66.02 62.31 3c5h s SER 17 CO 0.05 0.06 0.18 -0.69 1.20 0.00 0.00 173.24 174.04 3c5h s VAL 18 N 1.02 5.33 0.17 4.45 1.01 0.76 -1.41 120.40 131.74 3c5h s VAL 18 Ca 0.01 0.19 0.03 0.00 0.00 0.00 0.00 61.98 62.21 3c5h s VAL 18 Cb -0.14 -3.52 -0.05 0.00 0.00 0.00 0.00 36.38 32.67 3c5h s VAL 18 CO 0.01 0.29 -0.03 0.68 0.00 0.00 0.00 175.10 176.05 3c5h s VAL 19 N 1.45 0.89 0.00 2.92 -7.23 -0.69 -0.71 120.40 117.03 3c5h s VAL 19 Ca 0.08 -2.01 0.00 0.00 -1.81 0.00 0.00 61.98 58.24 3c5h s VAL 19 Cb -0.15 -2.06 0.00 0.00 0.56 0.00 0.00 36.38 34.73 3c5h s VAL 19 CO 0.08 -0.55 0.00 0.61 -0.31 0.00 0.00 175.10 174.93 3c5h n GLY 20 N -0.25 -0.70 3.61 2.32 0.00 -1.26 -0.80 105.19 108.10 3c5h n GLY 20 Ca -0.08 -1.17 -0.53 0.00 0.00 0.00 0.00 46.02 44.24 3c5h n GLY 20 CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22 3c5h n LEU 21 N 0.00 1.68 -3.80 0.99 7.94 -1.26 -4.95 117.00 117.60 3c5h n LEU 21 Ca 0.00 1.11 -0.09 0.00 -1.11 0.00 0.00 56.01 55.92 3c5h n LEU 21 Cb 0.00 -1.17 -0.06 0.00 0.53 0.00 0.00 43.42 42.72 3c5h n LEU 21 CO 0.00 -0.99 -0.02 -0.44 -1.11 0.00 0.00 177.39 174.83 3c5h s SER 22 N 0.94 0.02 0.00 1.96 0.01 -1.26 -4.56 113.70 110.82 3c5h s SER 22 Ca 0.87 -0.56 0.00 0.00 1.31 0.00 0.00 55.95 57.57 3c5h s SER 22 Cb -0.99 0.38 0.00 0.00 0.21 0.00 0.00 66.02 65.62 3c5h s SER 22 CO 0.50 -0.76 0.00 0.61 0.41 0.00 0.00 173.24 174.00 3c5h n GLY 23 N -0.11 -0.45 3.82 3.44 0.00 -1.26 -4.93 105.19 105.70 3c5h n GLY 23 Ca -0.15 -0.45 -0.32 0.00 0.00 0.00 0.00 46.02 45.09 3c5h n GLY 23 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 3c5h s THR 24 N -3.72 4.05 0.27 2.61 -4.23 -1.26 -4.70 115.64 108.65 3c5h s THR 24 Ca 0.00 0.95 -0.05 0.00 -1.18 0.00 0.00 61.69 61.41 3c5h s THR 24 Cb 0.00 -3.49 0.35 0.00 1.34 0.00 0.00 72.50 70.70 3c5h s THR 24 CO 0.00 -0.59 1.60 -0.33 -0.54 0.00 0.00 174.62 174.76 3c5h h GLU 25 N 0.49 0.04 -0.38 3.99 4.39 -1.95 -0.07 114.58 121.09 3c5h h GLU 25 Ca -0.47 -0.00 -0.00 0.00 0.34 0.00 0.00 59.36 59.23 3c5h h GLU 25 Cb 1.21 -0.01 -0.02 0.00 -0.10 0.00 0.00 28.75 29.83 3c5h h GLU 25 CO 0.59 0.03 0.22 0.87 -1.16 0.00 0.00 179.01 179.56 3c5h h LYS 26 N 0.04 0.52 0.00 2.33 6.56 -1.94 0.63 116.57 124.71 3c5h h LYS 26 Ca 0.47 -0.05 -0.01 0.00 -1.06 0.00 0.00 60.65 60.00 3c5h h LYS 26 Cb 0.85 -0.11 -0.00 0.00 -0.57 0.00 0.00 32.23 32.40 3c5h h LYS 26 CO -0.82 0.40 -0.07 0.93 -2.06 0.00 0.00 179.45 177.83 3c5h h GLU 27 N 0.49 0.00 -0.60 3.15 5.08 -1.70 -1.79 114.58 119.21 3c5h h GLU 27 Ca 0.13 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.49 3c5h h GLU 27 Cb 0.02 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.27 3c5h h GLU 27 CO -0.02 0.07 0.00 1.63 -1.00 0.00 0.00 179.01 179.69 3c5h n LYS 28 N -3.44 2.63 -2.92 2.33 5.02 -0.13 -4.95 118.16 116.71 3c5h n LYS 28 Ca -0.02 -2.50 -0.19 0.00 -2.02 0.00 0.00 58.31 53.58 3c5h n LYS 28 Cb 0.21 -1.55 0.00 0.00 -0.02 0.00 0.00 35.03 33.67 3c5h n LYS 28 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 3c5h n GLY 29 N 1.61 -0.50 2.88 0.72 0.00 0.17 -0.12 105.19 109.96 3c5h n GLY 29 Ca 0.23 0.06 -0.21 0.00 0.00 0.00 0.00 46.02 46.10 3c5h n GLY 29 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 3c5h n GLN 30 N -3.41 -3.57 -3.22 1.61 1.13 0.20 -4.97 117.38 105.15 3c5h n GLN 30 Ca -0.09 0.79 -0.01 0.00 -1.94 0.00 0.00 57.00 55.75 3c5h n GLN 30 Cb 0.59 -5.55 -0.03 0.00 0.11 0.00 0.00 30.24 25.36 3c5h n GLN 30 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 3c5h s GLY 32 N 2.72 1.58 0.00 0.00 0.00 -1.26 -4.81 107.32 105.55 3c5h s GLY 32 Ca 0.11 -0.10 0.28 0.00 0.00 0.00 0.00 44.72 45.02 3c5h s GLY 32 CO -0.26 0.50 1.81 0.29 0.00 0.00 0.00 173.10 175.44 3c5h n ILE 33 N -4.39 0.00 0.00 0.90 -6.64 -1.26 -4.92 119.36 103.05 3c5h n ILE 33 Ca 0.05 -0.05 0.00 0.00 -1.77 0.00 0.00 62.75 60.98 3c5h n ILE 33 Cb 0.55 -0.08 0.00 0.00 -1.44 0.00 0.00 39.64 38.67 3c5h n ILE 33 CO 0.00 0.00 0.00 0.61 -1.77 0.00 0.00 176.55 175.39 3c5h n GLY 34 N 1.33 1.31 0.31 3.28 0.00 -1.26 -4.18 105.19 105.98 3c5h n GLY 34 Ca 0.13 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 46.01 3c5h n GLY 34 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3c5h h LYS 35 N 1.43 -0.51 -0.27 1.61 1.57 -1.95 -1.72 116.57 116.73 3c5h h LYS 35 Ca 0.00 0.03 -0.00 0.00 -1.87 0.00 0.00 60.65 58.81 3c5h h LYS 35 Cb 0.00 0.12 -0.01 0.00 0.08 0.00 0.00 32.23 32.41 3c5h h LYS 35 CO 0.00 -0.34 0.15 0.77 -0.57 0.00 0.00 179.45 179.46 3c5h h SER 36 N -0.53 0.33 0.15 0.86 0.02 -1.96 -1.20 113.55 111.21 3c5h h SER 36 Ca 0.02 -0.07 -0.07 0.00 -0.84 0.00 0.00 61.79 60.83 3c5h h SER 36 Cb 0.53 -0.08 -0.01 0.00 0.14 0.00 0.00 62.40 62.98 3c5h h SER 36 CO -0.13 0.30 -0.26 0.00 -1.14 0.00 0.00 176.83 175.61 3c5h h LEU 38 N 0.18 0.11 -0.25 0.00 5.85 -0.89 -1.96 115.31 118.34 3c5h h LEU 38 Ca 0.03 -0.26 -0.00 0.00 0.84 0.00 0.00 57.88 58.49 3c5h h LEU 38 Cb 0.55 -0.03 -0.01 0.00 0.37 0.00 0.00 40.66 41.54 3c5h h LEU 38 CO 0.04 0.34 0.14 0.00 -0.34 0.00 0.00 178.44 178.62 3c5h h ASN 40 N 0.29 0.51 0.13 0.00 -0.00 -0.85 -0.70 115.58 114.97 3c5h h ASN 40 Ca 0.09 0.01 -0.14 0.00 -0.00 0.00 0.00 56.30 56.25 3c5h h ASN 40 Cb 0.05 -0.10 -0.01 0.00 -0.00 0.00 0.00 38.32 38.26 3c5h h ASN 40 CO -0.01 0.36 -0.51 -0.09 -0.00 0.00 0.00 177.43 177.17 3c5h h ARG 41 N 0.64 0.43 -0.01 6.67 9.65 -1.20 0.54 114.38 131.10 3c5h h ARG 41 Ca 0.22 -0.25 -0.00 0.00 -1.10 0.00 0.00 59.98 58.85 3c5h h ARG 41 Cb 0.04 0.02 -0.00 0.00 -1.39 0.00 0.00 29.97 28.65 3c5h h ARG 41 CO -0.11 0.84 -0.00 0.35 2.80 0.00 0.00 179.97 183.85 3c5h h PHE 42 N 0.34 0.02 0.04 2.20 3.57 -0.92 -2.98 116.94 119.21 3c5h h PHE 42 Ca 0.01 -0.00 -0.23 0.00 3.53 0.00 0.00 57.97 61.28 3c5h h PHE 42 Cb 1.02 -0.00 -0.01 0.00 2.79 0.00 0.00 35.95 39.75 3c5h h PHE 42 CO 0.03 0.34 -1.01 -0.39 -2.23 0.00 0.00 178.31 175.05 3c5h h VAL 43 N -0.30 1.51 -1.82 1.41 -1.51 -1.09 -3.40 116.25 111.04 3c5h h VAL 43 Ca 0.00 -2.83 -0.46 0.00 -1.23 0.00 0.00 66.70 62.18 3c5h h VAL 43 Cb 0.33 2.65 -0.32 0.00 -2.13 0.00 0.00 31.29 31.82 3c5h h VAL 43 CO 0.00 0.82 -0.86 0.54 -1.23 0.00 0.00 177.57 176.84 3c5h n ARG 44 N -3.60 0.40 0.00 5.19 1.74 0.17 -4.96 116.66 115.61 3c5h n ARG 44 Ca -0.05 -2.83 0.12 0.00 -0.77 0.00 0.00 57.85 54.32 3c5h n ARG 44 Cb 0.89 -1.52 0.57 0.00 -1.02 0.00 0.00 32.46 31.38 3c5h n ARG 44 CO 0.00 0.00 0.00 -0.35 -1.52 0.00 0.00 177.63 175.76 3c5h n PRO 45 N 2.49 0.10 -2.01 5.56 -0.04 -1.13 -4.08 135.00 135.90 3c5h n PRO 45 Ca 0.24 0.06 -0.41 0.00 -0.04 0.00 0.00 63.50 63.35 3c5h n PRO 45 Cb 0.52 -1.50 -0.01 0.00 -0.04 0.00 0.00 33.50 32.46 3c5h n PRO 45 CO 0.00 0.00 0.00 -1.12 -0.04 0.00 0.00 175.50 174.34 3c5h s SER 46 N -2.88 6.62 0.38 3.54 0.01 -1.26 -4.83 113.70 115.28 3c5h s SER 46 Ca 0.15 2.81 0.15 0.00 1.31 0.00 0.00 55.95 60.38 3c5h s SER 46 Cb 0.17 -2.66 1.00 0.00 0.21 0.00 0.00 66.02 64.75 3c5h s SER 46 CO 0.44 -0.65 1.79 0.00 0.41 0.00 0.00 173.24 175.22 3c5h h ALA 47 N 3.28 2.07 0.00 1.44 0.00 -1.93 0.17 119.26 124.30 3c5h h ALA 47 Ca -0.50 0.06 -0.03 0.00 0.00 0.00 0.00 54.91 54.45 3c5h h ALA 47 Cb 1.23 -0.01 -0.00 0.00 0.00 0.00 0.00 17.79 19.01 3c5h h ALA 47 CO 0.65 -0.45 -0.14 0.38 0.00 0.00 0.00 179.25 179.70 3c5h h ASP 48 N 0.49 0.00 -0.01 0.00 2.03 -1.95 -3.16 116.42 113.82 3c5h h ASP 48 Ca 0.57 0.00 0.00 0.00 -0.73 0.00 0.00 57.03 56.87 3c5h h ASP 48 Cb 1.28 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 39.78 3c5h h ASP 48 CO -0.30 0.14 -0.12 -0.62 -1.03 0.00 0.00 179.24 177.30 3c5h n GLU 49 N -3.45 1.48 -3.33 4.15 1.02 0.47 -4.98 120.64 116.00 3c5h n GLU 49 Ca -0.01 -0.77 -0.38 0.00 -0.02 0.00 0.00 57.16 55.98 3c5h n GLU 49 Cb 0.30 -1.11 -0.07 0.00 -0.02 0.00 0.00 31.44 30.55 3c5h n GLU 49 CO 0.00 0.00 0.00 0.12 1.18 0.00 0.00 177.13 178.43 3c5h s PHE 50 N -1.13 3.43 -0.08 -0.32 5.36 -0.44 -4.93 117.98 119.87 3c5h s PHE 50 Ca 0.09 0.75 0.04 0.00 -0.96 0.00 0.00 56.93 56.85 3c5h s PHE 50 Cb 0.08 -2.56 -0.01 0.00 -0.34 0.00 0.00 43.02 40.18 3c5h s PHE 50 CO 0.19 0.04 -0.19 -1.01 -1.46 0.00 0.00 175.22 172.79 3c5h s HIS 51 N 1.10 2.60 -0.45 10.12 3.76 -1.26 -4.96 115.29 126.20 3c5h s HIS 51 Ca 0.23 -0.60 0.23 0.00 -0.15 0.00 0.00 55.06 54.77 3c5h s HIS 51 Cb -0.15 -1.68 0.30 0.00 1.11 0.00 0.00 32.58 32.16 3c5h s HIS 51 CO 0.09 -0.14 1.40 1.25 -0.85 0.00 0.00 174.74 176.49 3c5h h LEU 52 N 6.11 0.00 -7.96 0.89 5.85 -1.99 -3.44 115.31 114.78 3c5h h LEU 52 Ca -0.32 -0.04 -0.67 0.00 0.84 0.00 0.00 57.88 57.69 3c5h h LEU 52 Cb 1.19 0.00 -0.36 0.00 0.37 0.00 0.00 40.66 41.86 3c5h h LEU 52 CO 0.50 0.02 -0.81 -1.81 -0.34 0.00 0.00 178.44 176.00 3c5h s ASP 53 N -5.36 4.11 -0.40 1.25 1.01 -1.26 -4.94 116.67 111.07 3c5h s ASP 53 Ca 0.05 -1.14 0.02 0.00 0.71 0.00 0.00 52.55 52.18 3c5h s ASP 53 Cb 0.09 -1.55 0.15 0.00 1.01 0.00 0.00 42.92 42.62 3c5h s ASP 53 CO 0.71 -0.14 0.27 -1.00 0.21 0.00 0.00 175.17 175.21 3c5h s HIS 54 N 1.18 1.22 0.48 4.23 3.76 -1.26 -4.83 115.29 120.07 3c5h s HIS 54 Ca -0.04 -2.06 -0.22 0.00 -0.15 0.00 0.00 55.06 52.58 3c5h s HIS 54 Cb -0.18 -1.20 -0.07 0.00 1.11 0.00 0.00 32.58 32.24 3c5h s HIS 54 CO -0.07 -0.81 1.20 -0.08 -0.85 0.00 0.00 174.74 174.14 3c5h s THR 55 N 0.52 2.90 -0.97 1.30 -1.32 -1.26 -4.93 115.64 111.88 3c5h s THR 55 Ca 0.22 0.67 0.11 0.00 -1.21 0.00 0.00 61.69 61.48 3c5h s THR 55 Cb -0.15 -3.34 0.27 0.00 -1.51 0.00 0.00 72.50 67.77 3c5h s THR 55 CO -0.06 -0.01 1.20 -1.20 -2.21 0.00 0.00 174.62 172.34 3c5h n SER 56 N -0.63 2.78 -4.48 8.08 7.64 -1.26 -4.89 113.62 120.85 3c5h n SER 56 Ca 0.08 -1.93 -0.43 0.00 1.01 0.00 0.00 58.87 57.60 3c5h n SER 56 Cb 0.48 -0.20 -0.08 0.00 -1.01 0.00 0.00 64.21 63.40 3c5h n SER 56 CO 0.00 0.00 0.00 -0.69 -3.01 0.00 0.00 175.04 171.34 3c5h s VAL 57 N -0.99 5.00 0.06 0.44 1.01 -1.26 -1.30 120.40 123.35 3c5h s VAL 57 Ca 0.21 -0.27 0.07 0.00 0.00 0.00 0.00 61.98 61.99 3c5h s VAL 57 Cb 0.11 -4.11 -0.03 0.00 0.00 0.00 0.00 36.38 32.35 3c5h s VAL 57 CO 0.15 -0.52 -0.18 -0.76 0.00 0.00 0.00 175.10 173.80 3c5h s LEU 58 N 2.35 2.20 0.74 3.92 1.43 0.33 -4.81 118.68 124.84 3c5h s LEU 58 Ca 0.15 -0.54 -0.11 0.00 -1.03 0.00 0.00 54.13 52.60 3c5h s LEU 58 Cb -0.17 -0.80 0.04 0.00 0.03 0.00 0.00 46.19 45.29 3c5h s LEU 58 CO 0.15 0.08 1.09 -0.94 0.23 0.00 0.00 176.35 176.95 3c5h s SER 59 N -1.35 4.77 0.33 2.29 1.04 -1.26 -1.92 113.70 117.60 3c5h s SER 59 Ca 0.05 1.80 0.04 0.00 0.48 0.00 0.00 55.95 58.31 3c5h s SER 59 Cb -0.09 -2.52 0.65 0.00 0.10 0.00 0.00 66.02 64.16 3c5h s SER 59 CO 0.02 -1.85 1.93 0.71 0.98 0.00 0.00 173.24 175.02 3c5h h THR 60 N -0.90 1.02 -0.64 2.02 1.35 -1.99 -0.89 112.91 112.88 3c5h h THR 60 Ca -0.44 -0.30 -0.04 0.00 -0.55 0.00 0.00 66.41 65.08 3c5h h THR 60 Cb 1.23 0.07 -0.03 0.00 -1.73 0.00 0.00 68.15 67.68 3c5h h THR 60 CO 0.53 0.16 0.25 -1.28 -0.25 0.00 0.00 175.52 174.93 3c5h h SER 61 N 0.88 0.88 -0.18 5.36 0.87 -1.97 -1.56 113.55 117.83 3c5h h SER 61 Ca 0.36 -0.17 -0.01 0.00 -1.23 0.00 0.00 61.79 60.74 3c5h h SER 61 Cb 0.28 -0.23 -0.01 0.00 -0.44 0.00 0.00 62.40 62.01 3c5h h SER 61 CO -0.14 0.82 0.08 0.44 -0.53 0.00 0.00 176.83 177.50 3c5h h ASP 62 N 0.90 0.24 -0.28 6.23 3.32 -1.73 -2.28 116.42 122.82 3c5h h ASP 62 Ca 0.21 -0.13 -0.02 0.00 0.02 0.00 0.00 57.03 57.11 3c5h h ASP 62 Cb 0.21 -0.06 -0.02 0.00 0.22 0.00 0.00 39.33 39.68 3c5h h ASP 62 CO -0.02 0.31 0.12 0.15 -1.72 0.00 0.00 179.24 178.08 3c5h h PHE 63 N 0.16 0.47 -0.02 4.55 3.57 -0.99 -2.50 116.94 122.18 3c5h h PHE 63 Ca 0.06 -0.02 0.00 0.00 3.53 0.00 0.00 57.97 61.55 3c5h h PHE 63 Cb 0.13 -0.15 0.00 0.00 2.79 0.00 0.00 35.95 38.73 3c5h h PHE 63 CO -0.02 0.39 0.00 0.41 -2.23 0.00 0.00 178.31 176.86 3c5h n GLY 64 N -1.20 0.08 3.59 2.40 0.00 -0.60 -1.02 105.19 108.43 3c5h n GLY 64 Ca 0.02 -0.46 -0.30 0.00 0.00 0.00 0.00 46.02 45.27 3c5h n GLY 64 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 3c5h s GLY 65 N -2.00 1.57 0.39 -0.02 0.00 -0.88 -4.68 107.32 101.71 3c5h s GLY 65 Ca 0.37 -0.87 0.21 0.00 0.00 0.00 0.00 44.72 44.43 3c5h s GLY 65 CO 0.33 -0.01 1.60 3.21 0.00 0.00 0.00 173.10 178.23 3c5h h ARG 66 N -2.55 0.00 0.20 2.90 3.08 -1.91 0.30 114.38 116.40 3c5h h ARG 66 Ca -0.46 0.00 -0.01 0.00 0.07 0.00 0.00 59.98 59.58 3c5h h ARG 66 Cb 1.30 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.35 3c5h h ARG 66 CO 0.37 0.20 -0.09 0.28 -1.07 0.00 0.00 179.97 179.65 3c5h h VAL 67 N 0.00 0.83 0.06 2.04 2.07 -1.90 -1.84 116.25 117.52 3c5h h VAL 67 Ca -0.00 -0.97 -0.27 0.00 0.82 0.00 0.00 66.70 66.28 3c5h h VAL 67 Cb 1.08 1.34 0.02 0.00 -1.52 0.00 0.00 31.29 32.21 3c5h h VAL 67 CO 0.03 0.19 -1.09 0.58 0.02 0.00 0.00 177.57 177.30 3c5h h VAL 68 N -0.80 1.30 -5.28 2.57 2.07 -1.78 -3.40 116.25 110.92 3c5h h VAL 68 Ca -0.03 -2.34 -0.39 0.00 0.82 0.00 0.00 66.70 64.76 3c5h h VAL 68 Cb 0.52 2.59 0.11 0.00 -1.52 0.00 0.00 31.29 32.99 3c5h h VAL 68 CO 0.04 0.71 -0.64 -3.20 0.02 0.00 0.00 177.57 174.51 3c5h n ASN 69 N -3.88 -6.20 -1.66 0.57 5.15 0.11 -1.23 115.26 108.12 3c5h n ASN 69 Ca -0.12 -0.45 -0.19 0.00 -0.60 0.00 0.00 54.58 53.22 3c5h n ASN 69 Cb 0.91 -4.88 -0.07 0.00 -0.53 0.00 0.00 39.78 35.21 3c5h n ASN 69 CO 0.00 0.00 0.00 0.59 1.40 0.00 0.00 177.26 179.25 3c5h n ASN 70 N -2.73 -5.06 -4.79 1.20 4.13 -0.19 -5.00 115.26 102.82 3c5h n ASN 70 Ca -0.03 0.41 -0.25 0.00 1.68 0.00 0.00 54.58 56.40 3c5h n ASN 70 Cb 0.58 -4.47 -0.05 0.00 -1.54 0.00 0.00 39.78 34.29 3c5h n ASN 70 CO 0.00 0.00 0.00 -1.81 0.28 0.00 0.00 177.26 175.73 3c5h s ASP 71 N -2.54 5.43 -0.32 6.41 1.01 -0.37 -5.01 116.67 121.28 3c5h s ASP 71 Ca 0.00 -0.21 0.06 0.00 0.71 0.00 0.00 52.55 53.11 3c5h s ASP 71 Cb 0.00 -1.38 0.60 0.00 1.01 0.00 0.00 42.92 43.15 3c5h s ASP 71 CO 0.00 0.03 1.71 1.41 0.21 0.00 0.00 175.17 178.53 3c5h n HIS 72 N -0.64 2.34 -4.19 4.23 8.25 -1.26 -4.90 115.22 119.05 3c5h n HIS 72 Ca -0.08 -1.33 -0.12 0.00 -0.26 0.00 0.00 57.72 55.93 3c5h n HIS 72 Cb 0.56 -0.72 -0.10 0.00 1.12 0.00 0.00 29.99 30.85 3c5h n HIS 72 CO 0.00 0.00 0.00 -0.59 0.64 0.00 0.00 176.34 176.39 3c5h s PHE 73 N -2.68 0.98 0.00 4.41 -0.12 -1.26 -0.60 117.98 118.71 3c5h s PHE 73 Ca 0.47 -0.86 0.07 0.00 -0.05 0.00 0.00 56.93 56.56 3c5h s PHE 73 Cb 0.39 -0.54 -0.03 0.00 -0.63 0.00 0.00 43.02 42.21 3c5h s PHE 73 CO 0.10 -0.09 -0.21 -0.51 -0.05 0.00 0.00 175.22 174.46 3c5h s LEU 74 N -3.01 2.37 -0.42 -1.99 1.43 -0.37 -4.86 118.68 111.83 3c5h s LEU 74 Ca 0.12 -0.42 -0.17 0.00 -1.03 0.00 0.00 54.13 52.63 3c5h s LEU 74 Cb 0.04 -1.42 0.02 0.00 0.03 0.00 0.00 46.19 44.86 3c5h s LEU 74 CO -0.03 0.30 0.42 -0.47 0.23 0.00 0.00 176.35 176.79 3c5h s TYR 75 N -0.75 3.18 -0.58 0.29 5.04 -1.26 -1.47 117.35 121.79 3c5h s TYR 75 Ca 0.12 -0.40 0.24 0.00 -2.44 0.00 0.00 57.07 54.60 3c5h s TYR 75 Cb -0.10 -2.85 0.43 0.00 0.35 0.00 0.00 41.96 39.79 3c5h s TYR 75 CO 0.01 -0.68 1.46 -1.49 -1.34 0.00 0.00 175.55 173.51 3c5h h TRP 76 N 8.71 0.00 0.00 4.97 4.06 -0.94 0.12 115.95 132.87 3c5h h TRP 76 Ca -0.27 0.00 0.00 0.00 2.06 0.00 0.00 58.89 60.68 3c5h h TRP 76 Cb 1.11 0.00 0.00 0.00 -1.00 0.00 0.00 29.16 29.27 3c5h h TRP 76 CO 0.61 0.00 0.00 0.41 -3.56 0.00 0.00 178.44 175.90 3c5h n GLY 77 N 1.27 0.50 3.39 1.49 0.00 -1.23 -4.67 105.19 105.93 3c5h n GLY 77 Ca 0.04 -2.26 -0.33 0.00 0.00 0.00 0.00 46.02 43.47 3c5h n GLY 77 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 3c5h s GLU 78 N -0.17 2.86 -0.12 1.61 2.12 -1.26 -1.59 118.70 122.15 3c5h s GLU 78 Ca 0.00 -0.74 0.00 0.00 0.36 0.00 0.00 54.97 54.59 3c5h s GLU 78 Cb 0.00 -2.43 -0.02 0.00 0.26 0.00 0.00 34.13 31.95 3c5h s GLU 78 CO 0.00 0.41 -0.14 0.08 -0.54 0.00 0.00 175.26 175.08 3c5h s VAL 79 N -0.19 3.02 -0.05 3.70 1.01 0.36 -4.95 120.40 123.29 3c5h s VAL 79 Ca -0.01 -0.68 0.00 0.00 0.00 0.00 0.00 61.98 61.30 3c5h s VAL 79 Cb -0.13 -2.26 0.02 0.00 0.00 0.00 0.00 36.38 34.01 3c5h s VAL 79 CO 0.03 0.53 -0.03 -0.55 0.00 0.00 0.00 175.10 175.08 3c5h s SER 80 N 0.26 1.15 -0.09 3.32 0.15 -1.26 -1.37 113.70 115.87 3c5h s SER 80 Ca -0.09 -0.12 0.03 0.00 0.70 0.00 0.00 55.95 56.47 3c5h s SER 80 Cb -0.16 -0.46 0.00 0.00 -1.71 0.00 0.00 66.02 63.70 3c5h s SER 80 CO 0.05 -0.09 -0.21 -0.54 1.20 0.00 0.00 173.24 173.66 3c5h s LYS 90 N 1.22 2.66 -0.12 5.44 1.02 0.25 -5.25 119.74 124.95 3c5h s LYS 90 Ca -0.06 -0.74 0.01 0.00 0.02 0.00 0.00 55.97 55.20 3c5h s LYS 90 Cb -0.14 -2.04 -0.01 0.00 -0.52 0.00 0.00 37.83 35.13 3c5h s LYS 90 CO -0.02 0.14 -0.17 -1.64 -0.92 0.00 0.00 175.35 172.74 3c5h s MET 91 N 0.44 3.25 -0.16 1.68 -1.94 -0.47 -0.67 119.30 121.42 3c5h s MET 91 Ca -0.18 -0.76 -0.04 0.00 -1.71 0.00 0.00 55.69 53.01 3c5h s MET 91 Cb -0.17 -2.53 -0.03 0.00 2.01 0.00 0.00 34.83 34.11 3c5h s MET 91 CO 0.07 0.17 -0.04 -1.01 -0.01 0.00 0.00 175.02 174.21 3c5h s HIS 92 N 0.42 3.01 -0.17 -0.03 0.09 -0.10 -0.49 115.29 118.03 3c5h s HIS 92 Ca -0.13 -0.37 -0.01 0.00 -0.00 0.00 0.00 55.06 54.56 3c5h s HIS 92 Cb -0.16 -1.97 -0.00 0.00 -0.00 0.00 0.00 32.58 30.44 3c5h s HIS 92 CO 0.06 -0.10 -0.13 0.42 -0.00 0.00 0.00 174.74 174.99 3c5h s ILE 93 N 0.49 2.81 0.06 0.60 -1.09 -0.62 -0.97 121.20 122.49 3c5h s ILE 93 Ca -0.03 -0.71 0.10 0.00 -2.23 0.00 0.00 60.65 57.77 3c5h s ILE 93 Cb -0.14 -2.21 -0.03 0.00 -1.58 0.00 0.00 42.46 38.50 3c5h s ILE 93 CO 0.03 0.50 -0.26 0.68 -1.23 0.00 0.00 174.94 174.65 3c5h s VAL 94 N 0.93 2.18 -0.20 2.92 -7.23 -0.36 -0.29 120.40 118.34 3c5h s VAL 94 Ca -0.03 -1.45 -0.04 0.00 -1.81 0.00 0.00 61.98 58.66 3c5h s VAL 94 Cb -0.15 -1.87 -0.01 0.00 0.56 0.00 0.00 36.38 34.91 3c5h s VAL 94 CO -0.01 0.32 -0.05 -0.70 -0.31 0.00 0.00 175.10 174.35 3c5h s GLU 95 N -1.38 3.44 -0.26 4.82 2.12 -0.54 -0.17 118.70 126.72 3c5h s GLU 95 Ca 0.12 -0.61 -0.20 0.00 0.36 0.00 0.00 54.97 54.65 3c5h s GLU 95 Cb -0.10 -2.97 -0.02 0.00 0.26 0.00 0.00 34.13 31.30 3c5h s GLU 95 CO 0.03 -0.08 0.60 -0.65 -0.54 0.00 0.00 175.26 174.62 3c5h s GLN 96 N 1.18 4.08 0.00 4.30 -1.52 0.12 -1.24 119.66 126.57 3c5h s GLN 96 Ca 0.02 0.47 0.00 0.00 -1.95 0.00 0.00 55.36 53.90 3c5h s GLN 96 Cb -0.14 -3.66 0.00 0.00 -0.22 0.00 0.00 33.01 28.99 3c5h s GLN 96 CO -0.01 -0.41 0.00 -2.37 -0.25 0.00 0.00 175.29 172.25 3c5h n THR 97 N 5.21 0.00 -3.68 -0.19 5.66 0.23 -4.53 114.28 116.98 3c5h n THR 97 Ca -0.01 0.00 -0.10 0.00 -3.05 0.00 0.00 64.05 60.88 3c5h n THR 97 Cb 0.49 0.00 -0.11 0.00 -1.55 0.00 0.00 70.33 69.16 3c5h n THR 97 CO 0.00 0.00 0.00 -0.70 -3.05 0.00 0.00 175.07 171.32 3c5h s GLU 98 N 1.61 0.30 -0.15 1.09 2.12 -1.26 -4.71 118.70 117.69 3c5h s GLU 98 Ca 0.00 0.85 -0.08 0.00 0.36 0.00 0.00 54.97 56.10 3c5h s GLU 98 Cb 0.00 0.10 -0.04 0.00 0.26 0.00 0.00 34.13 34.45 3c5h s GLU 98 CO 0.00 -0.22 0.12 -0.06 -0.54 0.00 0.00 175.26 174.56 3c5h s PHE 99 N 2.05 3.48 0.08 5.30 0.08 -1.26 -4.59 117.98 123.12 3c5h s PHE 99 Ca -0.04 0.41 0.07 0.00 0.12 0.00 0.00 56.93 57.48 3c5h s PHE 99 Cb -0.11 -2.02 -0.04 0.00 -0.57 0.00 0.00 43.02 40.28 3c5h s PHE 99 CO -0.11 0.52 -0.10 0.42 -0.10 0.00 0.00 175.22 175.84 3c5h s ILE 100 N -0.41 3.36 0.31 0.64 1.01 -0.42 -1.33 121.20 124.37 3c5h s ILE 100 Ca 0.11 -1.19 -0.29 0.00 0.00 0.00 0.00 60.65 59.29 3c5h s ILE 100 Cb -0.12 -2.55 -0.10 0.00 0.01 0.00 0.00 42.46 39.71 3c5h s ILE 100 CO 0.01 0.17 1.18 -0.62 0.00 0.00 0.00 174.94 175.69 3c5h s ASP 101 N -2.04 7.00 0.00 3.58 2.15 -0.41 -0.51 116.67 126.44 3c5h s ASP 101 Ca 0.20 2.43 0.25 0.00 0.43 0.00 0.00 52.55 55.86 3c5h s ASP 101 Cb -0.11 -2.63 1.30 0.00 -0.30 0.00 0.00 42.92 41.18 3c5h s ASP 101 CO 0.12 -0.35 1.86 -0.90 -0.17 0.00 0.00 175.17 175.73 3c5h n ASP 102 N 0.90 0.47 -0.02 -0.34 5.75 -0.81 -1.53 116.55 120.97 3c5h n ASP 102 Ca -0.00 -1.34 -0.04 0.00 -0.01 0.00 0.00 54.79 53.40 3c5h n ASP 102 Cb 0.44 -0.02 -0.01 0.00 -1.03 0.00 0.00 41.12 40.50 3c5h n ASP 102 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 3c5h n GLN 103 N -0.55 0.08 0.13 0.11 6.02 -1.26 -4.84 117.38 117.06 3c5h n GLN 103 Ca 0.18 0.03 0.10 0.00 -0.01 0.00 0.00 57.00 57.30 3c5h n GLN 103 Cb 0.16 -0.71 0.04 0.00 1.02 0.00 0.00 30.24 30.75 3c5h n GLN 103 CO 0.00 0.00 0.00 1.79 -1.01 0.00 0.00 177.06 177.84 3c5h h THR 104 N -0.10 0.12 -3.01 5.09 1.35 -1.98 -3.48 112.91 110.89 3c5h h THR 104 Ca -0.09 -1.20 -0.39 0.00 -0.55 0.00 0.00 66.41 64.19 3c5h h THR 104 Cb 1.09 1.78 -0.03 0.00 -1.73 0.00 0.00 68.15 69.26 3c5h h THR 104 CO -0.05 0.07 -0.48 0.49 -0.25 0.00 0.00 175.52 175.30 3c5h n PHE 105 N -2.87 -1.01 -4.24 4.73 3.72 -0.59 -4.98 117.46 112.22 3c5h n PHE 105 Ca 0.00 0.00 -0.23 0.00 -0.05 0.00 0.00 57.45 57.17 3c5h n PHE 105 Cb 0.59 -3.72 -0.07 0.00 -0.94 0.00 0.00 39.48 35.35 3c5h n PHE 105 CO 0.00 0.00 0.00 -0.65 -0.05 0.00 0.00 176.76 176.06 3c5h s GLN 106 N -4.94 2.46 0.31 -1.08 -0.21 -1.26 -4.81 119.66 110.13 3c5h s GLN 106 Ca 0.00 -1.30 -0.29 0.00 0.02 0.00 0.00 55.36 53.78 3c5h s GLN 106 Cb 0.00 -2.28 -0.12 0.00 1.00 0.00 0.00 33.01 31.62 3c5h s GLN 106 CO 0.00 0.38 1.48 -2.30 -2.12 0.00 0.00 175.29 172.73 3c5h n PRO 107 N -0.90 2.47 -1.63 2.91 -0.02 -1.26 -1.29 135.00 135.28 3c5h n PRO 107 Ca -0.07 0.87 -0.49 0.00 -2.02 0.00 0.00 63.50 61.79 3c5h n PRO 107 Cb 0.58 -2.58 -0.05 0.00 -0.02 0.00 0.00 33.50 31.43 3c5h n PRO 107 CO 0.00 0.00 0.00 0.72 1.98 0.00 0.00 175.50 178.20 3c5h n HIS 108 N 1.35 1.91 -2.93 6.00 8.25 -0.44 -1.64 115.22 127.73 3c5h n HIS 108 Ca 0.07 0.44 -0.22 0.00 -0.26 0.00 0.00 57.72 57.74 3c5h n HIS 108 Cb 0.36 -2.45 0.03 0.00 1.12 0.00 0.00 29.99 29.05 3c5h n HIS 108 CO 0.00 0.00 0.00 0.54 0.64 0.00 0.00 176.34 177.52 3c5h n ARG 109 N 3.25 -4.38 -0.20 -0.41 3.00 -1.26 -4.91 116.66 111.75 3c5h n ARG 109 Ca 0.18 0.92 -0.01 0.00 -0.01 0.00 0.00 57.85 58.93 3c5h n ARG 109 Cb 0.24 -5.75 0.05 0.00 0.00 0.00 0.00 32.46 27.00 3c5h n ARG 109 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.63 178.29 3c5h h SER 110 N -1.16 -0.55 0.09 0.55 4.64 -1.67 0.11 113.55 115.55 3c5h h SER 110 Ca -0.52 0.18 -0.05 0.00 -0.47 0.00 0.00 61.79 60.92 3c5h h SER 110 Cb 1.37 0.37 -0.01 0.00 -0.31 0.00 0.00 62.40 63.81 3c5h h SER 110 CO 0.57 -0.20 -0.17 0.71 -0.87 0.00 0.00 176.83 176.88 3c5h h THR 111 N -0.00 1.18 0.00 2.95 1.35 -1.91 -2.47 112.91 114.00 3c5h h THR 111 Ca 0.28 -0.81 0.00 0.00 -0.55 0.00 0.00 66.41 65.33 3c5h h THR 111 Cb 0.43 1.29 0.00 0.00 -1.73 0.00 0.00 68.15 68.14 3c5h h THR 111 CO -0.61 0.25 0.00 0.00 -0.25 0.00 0.00 175.52 174.91 3c5h n ALA 112 N -2.49 2.19 -2.01 6.62 0.00 0.35 -4.94 120.51 120.23 3c5h n ALA 112 Ca -0.01 -0.00 -0.40 0.00 0.00 0.00 0.00 53.44 53.03 3c5h n ALA 112 Cb 0.28 -1.46 -0.06 0.00 0.00 0.00 0.00 19.45 18.21 3c5h n ALA 112 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 3c5h s LEU 113 N -4.58 4.58 0.68 0.00 1.43 -0.93 -5.07 118.68 114.78 3c5h s LEU 113 Ca 0.10 1.66 -0.15 0.00 -1.03 0.00 0.00 54.13 54.70 3c5h s LEU 113 Cb 0.12 -3.32 0.01 0.00 0.03 0.00 0.00 46.19 43.03 3c5h s LEU 113 CO 0.57 0.18 1.14 -1.10 0.23 0.00 0.00 176.35 177.37 3c5h s GLN 114 N -1.02 2.59 0.72 1.70 -0.21 -1.26 -5.01 119.66 117.18 3c5h s GLN 114 Ca 0.37 1.53 -0.15 0.00 0.02 0.00 0.00 55.36 57.13 3c5h s GLN 114 Cb -0.23 -1.91 0.03 0.00 1.00 0.00 0.00 33.01 31.90 3c5h s GLN 114 CO 0.27 -1.44 1.18 -1.25 -2.12 0.00 0.00 175.29 171.93 3c5h s PRO 115 N -3.99 2.26 0.22 2.91 0.04 -1.26 -4.72 135.00 130.46 3c5h s PRO 115 Ca 0.70 1.65 -0.10 0.00 0.04 0.00 0.00 61.00 63.29 3c5h s PRO 115 Cb -0.24 -1.86 0.33 0.00 0.04 0.00 0.00 34.50 32.78 3c5h s PRO 115 CO 0.42 -1.72 1.66 -0.92 0.04 0.00 0.00 177.00 176.49 3c5h h TYR 116 N -0.28 0.01 -0.74 0.56 3.20 -1.95 -1.51 116.97 116.27 3c5h h TYR 116 Ca -0.47 0.05 0.08 0.00 3.14 0.00 0.00 58.73 61.52 3c5h h TYR 116 Cb 1.28 0.10 -0.05 0.00 1.54 0.00 0.00 36.73 39.60 3c5h h TYR 116 CO 0.49 -0.16 0.48 0.82 -1.64 0.00 0.00 178.16 178.16 3c5h h ILE 117 N 0.14 0.99 0.04 1.81 2.04 -1.97 0.60 117.51 121.15 3c5h h ILE 117 Ca 0.34 -0.25 -0.11 0.00 1.00 0.00 0.00 64.86 65.85 3c5h h ILE 117 Cb 0.57 0.21 0.01 0.00 -0.74 0.00 0.00 36.82 36.86 3c5h h ILE 117 CO -0.54 0.13 -0.43 0.11 0.00 0.00 0.00 178.15 177.42 3c5h h LYS 118 N 0.72 0.23 -0.42 2.37 1.57 -1.69 -3.19 116.57 116.15 3c5h h LYS 118 Ca 0.33 -0.30 0.06 0.00 -1.87 0.00 0.00 60.65 58.87 3c5h h LYS 118 Cb 0.34 0.10 -0.05 0.00 0.08 0.00 0.00 32.23 32.70 3c5h h LYS 118 CO -0.11 1.06 0.12 -0.09 -0.57 0.00 0.00 179.45 179.85 3c5h h ARG 119 N -0.46 0.26 0.00 3.15 2.43 -0.79 -2.86 114.38 116.11 3c5h h ARG 119 Ca -0.06 -0.02 -0.04 0.00 -0.81 0.00 0.00 59.98 59.05 3c5h h ARG 119 Cb 1.24 -0.06 -0.01 0.00 -0.42 0.00 0.00 29.97 30.72 3c5h h ARG 119 CO 0.08 0.17 -0.18 0.00 -1.51 0.00 0.00 179.97 178.54 3c5h h ALA 120 N 1.30 1.26 -0.05 2.80 0.00 0.09 -2.38 119.26 122.28 3c5h h ALA 120 Ca 0.20 -0.16 0.00 0.00 0.00 0.00 0.00 54.91 54.95 3c5h h ALA 120 Cb 0.22 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 17.98 3c5h h ALA 120 CO -0.23 0.22 0.00 0.00 0.00 0.00 0.00 179.25 179.24 3c5h n ALA 121 N -2.30 2.59 -1.75 0.00 0.00 -1.08 -4.92 120.51 113.04 3c5h n ALA 121 Ca -0.01 -0.38 -0.42 0.00 0.00 0.00 0.00 53.44 52.63 3c5h n ALA 121 Cb 0.30 -1.23 -0.01 0.00 0.00 0.00 0.00 19.45 18.51 3c5h n ALA 121 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3c5h n ALA 122 N -0.14 2.35 0.45 0.00 0.00 -0.90 -4.91 120.51 117.35 3c5h n ALA 122 Ca 0.19 0.36 0.05 0.00 0.00 0.00 0.00 53.44 54.03 3c5h n ALA 122 Cb 0.26 -2.42 -0.01 0.00 0.00 0.00 0.00 19.45 17.28 3c5h n ALA 122 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.50 177.75 3c5h n THR 123 N 1.22 0.00 -4.08 0.00 -2.24 -1.26 -4.85 114.28 103.07 3c5h n THR 123 Ca 0.05 -0.37 -0.32 0.00 -2.27 0.00 0.00 64.05 61.14 3c5h n THR 123 Cb 0.37 1.09 -0.16 0.00 -2.10 0.00 0.00 70.33 69.54 3c5h n THR 123 CO 0.00 0.00 0.00 -0.75 -0.57 0.00 0.00 175.07 173.75 3c5h s LYS 124 N -1.50 2.49 -0.49 -0.78 2.36 -1.26 -0.92 119.74 119.65 3c5h s LYS 124 Ca 0.07 -1.07 0.04 0.00 -2.55 0.00 0.00 55.97 52.46 3c5h s LYS 124 Cb 0.08 -2.69 0.12 0.00 -1.05 0.00 0.00 37.83 34.29 3c5h s LYS 124 CO 0.29 -0.41 0.22 -0.51 1.55 0.00 0.00 175.35 176.49 3c5h s LEU 125 N 1.22 4.34 -0.31 5.43 1.43 -0.04 -4.98 118.68 125.77 3c5h s LEU 125 Ca -0.02 -2.85 -0.15 0.00 -1.03 0.00 0.00 54.13 50.08 3c5h s LEU 125 Cb -0.17 -1.62 -0.03 0.00 0.03 0.00 0.00 46.19 44.41 3c5h s LEU 125 CO -0.09 -0.26 0.35 0.00 0.23 0.00 0.00 176.35 176.58 3c5h s ALA 126 N -0.06 3.53 -0.30 4.21 0.00 -1.26 -1.05 121.76 126.83 3c5h s ALA 126 Ca 0.16 -1.04 -0.03 0.00 0.00 0.00 0.00 51.96 51.05 3c5h s ALA 126 Cb -0.25 -2.74 0.11 0.00 0.00 0.00 0.00 23.12 20.24 3c5h s ALA 126 CO -0.02 -0.85 0.16 0.45 0.00 0.00 0.00 175.76 175.51 3c5h s SER 127 N 1.70 3.28 0.15 0.00 0.15 0.49 -4.96 113.70 114.51 3c5h s SER 127 Ca 0.12 -1.36 -0.31 0.00 0.70 0.00 0.00 55.95 55.11 3c5h s SER 127 Cb -0.16 -0.27 -0.08 0.00 -1.71 0.00 0.00 66.02 63.80 3c5h s SER 127 CO 0.11 -0.42 1.37 0.00 1.20 0.00 0.00 173.24 175.50 3c5h s ALA 128 N 1.99 3.57 -1.54 5.45 0.00 -1.17 -2.80 121.76 127.25 3c5h s ALA 128 Ca 0.10 1.13 0.00 0.00 0.00 0.00 0.00 51.96 53.19 3c5h s ALA 128 Cb -0.17 -3.52 0.00 0.00 0.00 0.00 0.00 23.12 19.43 3c5h s ALA 128 CO -0.32 -0.59 0.00 0.39 0.00 0.00 0.00 175.76 175.24 3c5h n GLU 129 N 3.40 -1.18 -2.09 0.00 1.02 -1.26 -4.97 120.64 115.56 3c5h n GLU 129 Ca 0.09 0.93 -0.41 0.00 -0.02 0.00 0.00 57.16 57.75 3c5h n GLU 129 Cb 0.42 -5.20 -0.03 0.00 -0.02 0.00 0.00 31.44 26.62 3c5h n GLU 129 CO 0.00 0.00 0.00 0.21 1.18 0.00 0.00 177.13 178.52 3c5h s LYS 130 N -3.98 4.31 0.18 3.49 2.20 -1.12 -4.89 119.74 119.93 3c5h s LYS 130 Ca 0.00 2.20 -0.04 0.00 -0.36 0.00 0.00 55.97 57.77 3c5h s LYS 130 Cb 0.00 -3.16 -0.05 0.00 -1.51 0.00 0.00 37.83 33.11 3c5h s LYS 130 CO 0.00 -0.38 0.42 -0.51 -0.36 0.00 0.00 175.35 174.52 3c5h s LEU 131 N -0.03 4.22 0.33 5.43 1.43 -0.69 -0.19 118.68 129.18 3c5h s LEU 131 Ca 0.60 0.57 -0.29 0.00 -1.03 0.00 0.00 54.13 53.98 3c5h s LEU 131 Cb -0.40 -3.33 -0.11 0.00 0.03 0.00 0.00 46.19 42.39 3c5h s LEU 131 CO 0.39 -0.02 1.40 -0.32 0.23 0.00 0.00 176.35 178.04 3c5h s MET 132 N -2.98 4.25 -0.08 1.70 -2.45 0.12 -4.51 119.30 115.35 3c5h s MET 132 Ca 0.41 2.37 -0.19 0.00 -1.25 0.00 0.00 55.69 57.03 3c5h s MET 132 Cb -0.12 -3.04 -0.05 0.00 1.25 0.00 0.00 34.83 32.88 3c5h s MET 132 CO 0.26 -0.36 0.51 -0.47 1.05 0.00 0.00 175.02 176.01 3c5h s TYR 133 N -0.89 3.57 -0.19 4.11 5.04 0.40 -4.84 117.35 124.55 3c5h s TYR 133 Ca 0.53 0.99 -0.12 0.00 -2.44 0.00 0.00 57.07 56.02 3c5h s TYR 133 Cb -0.43 -2.55 -0.08 0.00 0.35 0.00 0.00 41.96 39.25 3c5h s TYR 133 CO 0.55 0.25 -0.28 1.19 -1.34 0.00 0.00 175.55 175.91 3c5h n PHE 134 N 3.30 0.00 -3.63 4.97 3.72 -1.26 -4.72 117.46 119.83 3c5h n PHE 134 Ca -0.07 0.00 -0.06 0.00 -0.05 0.00 0.00 57.45 57.27 3c5h n PHE 134 Cb 0.52 -0.66 -0.02 0.00 -0.94 0.00 0.00 39.48 38.38 3c5h n PHE 134 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 3c5h h THR 136 N 2.00 0.52 -0.90 0.00 1.35 -1.92 -2.06 112.91 111.90 3c5h h THR 136 Ca -0.24 -0.65 0.12 0.00 -0.55 0.00 0.00 66.41 65.10 3c5h h THR 136 Cb 1.24 1.43 -0.07 0.00 -1.73 0.00 0.00 68.15 69.02 3c5h h THR 136 CO 0.28 0.13 0.58 0.44 -0.25 0.00 0.00 175.52 176.71 3c5h h ASP 137 N 0.00 0.75 -0.17 5.36 3.32 -1.97 -1.55 116.42 122.16 3c5h h ASP 137 Ca -0.00 0.03 -0.01 0.00 0.02 0.00 0.00 57.03 57.08 3c5h h ASP 137 Cb 0.42 -0.12 -0.01 0.00 0.22 0.00 0.00 39.33 39.84 3c5h h ASP 137 CO 0.02 0.41 0.09 -0.61 -1.72 0.00 0.00 179.24 177.43 3c5h h GLN 138 N 0.81 0.27 -6.68 3.56 4.15 -1.67 -3.42 115.11 112.14 3c5h h GLN 138 Ca 0.44 -0.02 -0.52 0.00 0.77 0.00 0.00 58.65 59.31 3c5h h GLN 138 Cb 0.55 -0.06 0.03 0.00 0.21 0.00 0.00 27.48 28.22 3c5h h GLN 138 CO -0.20 0.22 0.62 -0.51 -1.93 0.00 0.00 178.83 177.03 3c5h s LEU 139 N -9.20 4.43 -1.26 -2.39 1.43 -0.59 -0.57 118.68 110.53 3c5h s LEU 139 Ca -0.06 2.37 0.00 0.00 -1.03 0.00 0.00 54.13 55.40 3c5h s LEU 139 Cb 0.17 -3.61 0.00 0.00 0.03 0.00 0.00 46.19 42.78 3c5h s LEU 139 CO 0.71 -0.48 0.00 0.61 0.23 0.00 0.00 176.35 177.41 3c5h n GLY 140 N 2.25 1.17 2.74 -3.19 0.00 -1.26 -4.78 105.19 102.11 3c5h n GLY 140 Ca 0.05 -0.07 -0.01 0.00 0.00 0.00 0.00 46.02 46.00 3c5h n GLY 140 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 3c5h n LEU 141 N -1.35 0.17 0.13 0.99 4.77 0.26 -4.98 117.00 117.00 3c5h n LEU 141 Ca -0.12 -3.10 0.01 0.00 -0.03 0.00 0.00 56.01 52.77 3c5h n LEU 141 Cb 0.56 0.30 0.04 0.00 -2.33 0.00 0.00 43.42 41.98 3c5h n LEU 141 CO 0.18 1.34 0.42 -0.33 -1.33 0.00 0.00 177.39 177.67 3c5h h GLU 142 N 1.85 0.00 -0.56 3.23 5.08 -1.75 -1.68 114.58 120.75 3c5h h GLU 142 Ca -0.28 0.00 0.16 0.00 -1.00 0.00 0.00 59.36 58.24 3c5h h GLU 142 Cb 1.29 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 30.52 3c5h h GLU 142 CO 0.01 0.61 0.50 1.96 -1.00 0.00 0.00 179.01 181.08 3c5h h GLN 143 N 0.00 0.00 0.00 2.33 4.20 -1.94 -1.18 115.11 118.52 3c5h h GLN 143 Ca -0.01 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.70 3c5h h GLN 143 Cb 1.40 0.00 0.00 0.00 0.30 0.00 0.00 27.48 29.18 3c5h h GLN 143 CO 0.08 0.00 0.00 -0.40 -0.67 0.00 0.00 178.83 177.84 3c5h n ASP 144 N -3.96 0.28 -4.53 1.46 5.68 -0.63 -4.83 116.55 110.02 3c5h n ASP 144 Ca 0.11 0.55 -0.25 0.00 -0.50 0.00 0.00 54.79 54.69 3c5h n ASP 144 Cb 0.72 -0.61 -0.11 0.00 -1.14 0.00 0.00 41.12 39.98 3c5h n ASP 144 CO 0.00 0.00 0.00 -0.36 -1.33 0.00 0.00 177.20 175.51 3c5h s PHE 145 N -3.08 2.29 0.30 2.11 0.08 -0.45 -5.11 117.98 114.13 3c5h s PHE 145 Ca 0.09 -0.63 -0.29 0.00 0.12 0.00 0.00 56.93 56.21 3c5h s PHE 145 Cb 0.13 -1.42 -0.12 0.00 -0.57 0.00 0.00 43.02 41.04 3c5h s PHE 145 CO 0.43 0.43 1.44 -1.91 -0.10 0.00 0.00 175.22 175.51 3c5h n GLU 146 N -0.78 2.35 -3.70 0.44 2.13 -1.26 -4.97 120.64 114.85 3c5h n GLU 146 Ca -0.05 0.83 -0.36 0.00 0.66 0.00 0.00 57.16 58.24 3c5h n GLU 146 Cb 0.65 -2.51 -0.09 0.00 0.27 0.00 0.00 31.44 29.76 3c5h n GLU 146 CO 0.00 0.00 0.00 -0.65 -0.41 0.00 0.00 177.13 176.07 3c5h s GLN 147 N -1.11 2.79 -0.23 5.31 -0.21 -1.26 -4.88 119.66 120.07 3c5h s GLN 147 Ca 0.61 -2.82 -0.09 0.00 0.02 0.00 0.00 55.36 53.08 3c5h s GLN 147 Cb -0.56 -3.79 -0.04 0.00 1.00 0.00 0.00 33.01 29.62 3c5h s GLN 147 CO 0.55 -1.21 0.11 0.21 -2.12 0.00 0.00 175.29 172.83 3c5h s LYS 148 N -0.56 3.91 0.22 2.91 2.20 -1.26 -4.99 119.74 122.17 3c5h s LYS 148 Ca 0.21 -0.36 -0.23 0.00 -0.36 0.00 0.00 55.97 55.23 3c5h s LYS 148 Cb -0.15 -3.41 -0.08 0.00 -1.51 0.00 0.00 37.83 32.68 3c5h s LYS 148 CO -0.07 0.02 0.79 -0.65 -0.36 0.00 0.00 175.35 175.08 3c5h s GLN 149 N 1.13 4.46 0.25 4.03 -0.21 -1.26 0.12 119.66 128.17 3c5h s GLN 149 Ca 0.06 1.09 -0.31 0.00 0.02 0.00 0.00 55.36 56.21 3c5h s GLN 149 Cb -0.14 -3.03 -0.13 0.00 1.00 0.00 0.00 33.01 30.71 3c5h s GLN 149 CO 0.04 0.45 1.52 -0.12 -2.12 0.00 0.00 175.29 175.06 3c5h n MET 150 N 1.07 2.36 -1.79 2.91 0.00 0.73 -4.88 117.12 117.52 3c5h n MET 150 Ca -0.03 0.84 -0.42 0.00 -0.00 0.00 0.00 57.70 58.09 3c5h n MET 150 Cb 0.50 -2.57 -0.03 0.00 0.00 0.00 0.00 33.22 31.12 3c5h n MET 150 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 175.97 174.72 3c5h s PRO 151 N -0.25 4.15 0.00 2.12 0.04 -1.26 -2.68 135.00 137.12 3c5h s PRO 151 Ca 0.68 2.53 0.00 0.00 0.04 0.00 0.00 61.00 64.25 3c5h s PRO 151 Cb -0.58 -3.09 0.00 0.00 0.04 0.00 0.00 34.50 30.87 3c5h s PRO 151 CO 0.47 -0.69 0.00 -0.25 0.04 0.00 0.00 177.00 176.57 3c5h n ASP 152 N 3.75 -5.01 0.00 6.66 8.00 -1.26 -2.01 116.55 126.68 3c5h n ASP 152 Ca 0.14 0.00 0.00 0.00 0.71 0.00 0.00 54.79 55.64 3c5h n ASP 152 Cb 0.36 -2.81 0.00 0.00 -0.02 0.00 0.00 41.12 38.65 3c5h n ASP 152 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 3c5h n GLY 153 N 0.01 0.09 3.25 0.44 0.00 -1.09 -4.95 105.19 102.94 3c5h n GLY 153 Ca 0.00 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 45.89 3c5h n GLY 153 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 3c5h s LYS 154 N -1.58 0.42 -0.06 1.61 2.20 -0.85 0.18 119.74 121.65 3c5h s LYS 154 Ca 0.00 0.53 0.02 0.00 -0.36 0.00 0.00 55.97 56.16 3c5h s LYS 154 Cb 0.00 0.18 0.02 0.00 -1.51 0.00 0.00 37.83 36.51 3c5h s LYS 154 CO 0.00 -0.06 -0.11 -0.51 -0.36 0.00 0.00 175.35 174.31 3c5h s LEU 155 N 0.32 1.57 -0.41 5.43 1.43 -0.21 -4.70 118.68 122.11 3c5h s LEU 155 Ca -0.01 -0.27 -0.18 0.00 -1.03 0.00 0.00 54.13 52.64 3c5h s LEU 155 Cb -0.03 -0.77 0.01 0.00 0.03 0.00 0.00 46.19 45.43 3c5h s LEU 155 CO -0.01 0.01 0.50 -0.76 0.23 0.00 0.00 176.35 176.32 3c5h s LEU 156 N 0.76 4.64 0.12 1.79 1.43 -1.26 -0.86 118.68 125.30 3c5h s LEU 156 Ca -0.13 -0.43 -0.31 0.00 -1.03 0.00 0.00 54.13 52.23 3c5h s LEU 156 Cb -0.15 -2.51 -0.09 0.00 0.03 0.00 0.00 46.19 43.47 3c5h s LEU 156 CO 0.02 -0.59 1.54 -0.69 0.23 0.00 0.00 176.35 176.86 3c5h s VAL 157 N 2.35 2.94 -0.12 -1.59 1.01 -0.10 -4.56 120.40 120.33 3c5h s VAL 157 Ca 0.16 0.61 0.18 0.00 0.00 0.00 0.00 61.98 62.92 3c5h s VAL 157 Cb -0.16 -3.39 -0.21 0.00 0.00 0.00 0.00 36.38 32.63 3c5h s VAL 157 CO 0.15 0.03 0.56 0.47 0.00 0.00 0.00 175.10 176.31 3c5h n ASP 158 N 4.41 0.49 -3.67 3.32 8.00 0.39 -4.97 116.55 124.53 3c5h n ASP 158 Ca 0.14 0.22 -0.03 0.00 0.71 0.00 0.00 54.79 55.82 3c5h n ASP 158 Cb 0.40 0.66 -0.01 0.00 -0.02 0.00 0.00 41.12 42.15 3c5h n ASP 158 CO 0.00 0.00 0.00 -0.83 -0.39 0.00 0.00 177.20 175.98 3c5h s GLY 159 N -4.96 -0.31 -0.02 0.44 0.00 -1.17 -4.08 107.32 97.22 3c5h s GLY 159 Ca -0.06 0.48 0.06 0.00 0.00 0.00 0.00 44.72 45.21 3c5h s GLY 159 CO 0.83 0.12 -0.20 -1.36 0.00 0.00 0.00 173.10 172.49 3c5h s PHE 160 N -3.02 1.76 -0.25 1.90 0.08 -0.53 -1.74 117.98 116.17 3c5h s PHE 160 Ca 0.11 -0.34 -0.10 0.00 0.12 0.00 0.00 56.93 56.72 3c5h s PHE 160 Cb 0.00 -1.13 -0.05 0.00 -0.57 0.00 0.00 43.02 41.27 3c5h s PHE 160 CO -0.01 -0.03 0.16 -0.51 -0.10 0.00 0.00 175.22 174.72 3c5h s LEU 161 N -0.45 4.05 -0.49 -0.37 1.43 -0.50 -1.66 118.68 120.70 3c5h s LEU 161 Ca 0.07 0.06 -0.14 0.00 -1.03 0.00 0.00 54.13 53.10 3c5h s LEU 161 Cb -0.08 -2.10 0.10 0.00 0.03 0.00 0.00 46.19 44.15 3c5h s LEU 161 CO -0.01 0.03 0.41 -0.22 0.23 0.00 0.00 176.35 176.79 3c5h s LEU 162 N 1.25 5.78 0.21 1.79 2.96 0.68 -1.70 118.68 129.66 3c5h s LEU 162 Ca 0.07 -1.61 -0.30 0.00 -0.22 0.00 0.00 54.13 52.07 3c5h s LEU 162 Cb -0.14 -2.14 -0.08 0.00 0.50 0.00 0.00 46.19 44.33 3c5h s LEU 162 CO 0.06 -0.72 0.99 -0.83 -1.32 0.00 0.00 176.35 174.53 3c5h s GLY 163 N 2.91 3.06 -0.12 7.98 0.00 0.02 -0.89 107.32 120.28 3c5h s GLY 163 Ca 0.04 0.67 -0.02 0.00 0.00 0.00 0.00 44.72 45.41 3c5h s GLY 163 CO 0.04 1.34 0.01 -0.42 0.00 0.00 0.00 173.10 174.07 3c5h s ILE 164 N -0.85 0.45 -0.25 0.90 1.01 -0.03 -4.44 121.20 117.98 3c5h s ILE 164 Ca 0.44 -0.16 -0.29 0.00 0.00 0.00 0.00 60.65 60.64 3c5h s ILE 164 Cb -0.27 -0.74 -0.00 0.00 0.01 0.00 0.00 42.46 41.45 3c5h s ILE 164 CO 0.33 0.08 1.29 -0.62 0.00 0.00 0.00 174.94 176.02 3c5h s ASP 165 N 1.92 6.76 -0.11 3.58 2.15 -1.26 -0.69 116.67 129.02 3c5h s ASP 165 Ca 0.03 1.37 0.14 0.00 0.43 0.00 0.00 52.55 54.52 3c5h s ASP 165 Cb -0.14 -2.54 0.43 0.00 -0.30 0.00 0.00 42.92 40.37 3c5h s ASP 165 CO -0.06 -0.98 1.34 1.33 -0.17 0.00 0.00 175.17 176.63 3c5h n VAL 166 N 5.93 1.82 -2.95 1.11 0.24 -0.97 -4.93 118.33 118.57 3c5h n VAL 166 Ca 0.14 -1.60 -0.32 0.00 -2.04 0.00 0.00 64.34 60.52 3c5h n VAL 166 Cb 0.46 0.01 -0.06 0.00 -1.47 0.00 0.00 33.84 32.78 3c5h n VAL 166 CO 0.00 0.00 0.00 -0.94 -2.14 0.00 0.00 176.83 173.75 3c5h s SER 167 N -1.66 6.79 -0.65 -1.34 1.04 -1.26 -0.53 113.70 116.08 3c5h s SER 167 Ca 0.34 1.41 -0.26 0.00 0.48 0.00 0.00 55.95 57.92 3c5h s SER 167 Cb 0.26 -2.43 -0.02 0.00 0.10 0.00 0.00 66.02 63.92 3c5h s SER 167 CO 0.10 -0.31 1.86 0.00 0.98 0.00 0.00 173.24 175.87 3c5h s ARG 168 N -3.23 2.63 -0.93 4.02 1.70 -0.79 -4.78 118.95 117.57 3c5h s ARG 168 Ca 0.57 0.47 -0.24 0.00 -0.47 0.00 0.00 55.73 56.05 3c5h s ARG 168 Cb -0.10 -4.47 -0.02 0.00 -0.57 0.00 0.00 34.95 29.79 3c5h s ARG 168 CO 0.19 -2.80 1.82 1.21 -1.08 0.00 0.00 175.30 174.64 3c5h s ASN 173 N 7.98 5.47 0.18 -2.89 3.84 -1.26 -5.05 114.94 123.21 3c5h s ASN 173 Ca 0.67 -0.86 -0.10 0.00 0.21 0.00 0.00 52.86 52.77 3c5h s ASN 173 Cb -0.12 -2.56 0.08 0.00 -0.55 0.00 0.00 41.25 38.10 3c5h s ASN 173 CO 0.18 -2.44 1.68 0.15 -2.79 0.00 0.00 177.10 173.88 3c5h h PHE 174 N 10.94 1.07 -0.36 0.43 3.57 -1.98 -2.56 116.94 128.05 3c5h h PHE 174 Ca 0.12 -0.14 -0.08 0.00 3.53 0.00 0.00 57.97 61.40 3c5h h PHE 174 Cb 1.01 -0.30 -0.02 0.00 2.79 0.00 0.00 35.95 39.43 3c5h h PHE 174 CO 1.23 0.91 -0.10 -0.44 -2.23 0.00 0.00 178.31 177.68 3c5h h ASP 175 N 0.93 0.60 -0.00 0.41 3.32 -2.01 -0.94 116.42 118.73 3c5h h ASP 175 Ca 0.19 -0.16 -0.11 0.00 0.02 0.00 0.00 57.03 56.97 3c5h h ASP 175 Cb 0.39 -0.16 -0.01 0.00 0.22 0.00 0.00 39.33 39.77 3c5h h ASP 175 CO 0.01 0.74 -0.32 0.44 -1.72 0.00 0.00 179.24 178.39 3c5h h ASP 176 N 0.57 0.48 -0.19 6.45 3.32 -1.97 -2.11 116.42 122.97 3c5h h ASP 176 Ca 0.10 -0.18 0.02 0.00 0.02 0.00 0.00 57.03 56.99 3c5h h ASP 176 Cb 0.52 -0.13 -0.02 0.00 0.22 0.00 0.00 39.33 39.92 3c5h h ASP 176 CO 0.03 0.77 0.06 -0.61 -1.72 0.00 0.00 179.24 177.77 3c5h h GLN 177 N 0.40 0.15 -0.27 3.56 4.15 -0.83 -2.05 115.11 120.22 3c5h h GLN 177 Ca 0.05 -0.01 -0.08 0.00 0.77 0.00 0.00 58.65 59.38 3c5h h GLN 177 Cb 0.76 -0.03 -0.01 0.00 0.21 0.00 0.00 27.48 28.40 3c5h h GLN 177 CO 0.06 0.10 -0.18 1.25 -1.93 0.00 0.00 178.83 178.13 3c5h h LEU 178 N 0.15 0.46 -0.26 -2.39 5.85 -1.10 0.41 115.31 118.44 3c5h h LEU 178 Ca 0.08 -0.13 0.00 0.00 0.84 0.00 0.00 57.88 58.67 3c5h h LEU 178 Cb 0.05 -0.13 -0.01 0.00 0.37 0.00 0.00 40.66 40.95 3c5h h LEU 178 CO -0.09 0.66 0.17 0.11 -0.34 0.00 0.00 178.44 178.95 3c5h h LYS 179 N 0.43 0.34 -0.40 1.25 6.56 -1.20 0.96 116.57 124.51 3c5h h LYS 179 Ca 0.07 -0.02 0.01 0.00 -1.06 0.00 0.00 60.65 59.65 3c5h h LYS 179 Cb 0.56 -0.08 -0.02 0.00 -0.57 0.00 0.00 32.23 32.12 3c5h h LYS 179 CO 0.04 0.23 0.25 0.35 -2.06 0.00 0.00 179.45 178.26 3c5h h PHE 180 N 0.34 0.48 -0.74 -1.35 3.57 -0.82 -1.83 116.94 116.59 3c5h h PHE 180 Ca 0.09 0.01 0.04 0.00 3.53 0.00 0.00 57.97 61.65 3c5h h PHE 180 Cb -0.03 -0.16 -0.05 0.00 2.79 0.00 0.00 35.95 38.50 3c5h h PHE 180 CO -0.06 0.29 0.45 0.28 -2.23 0.00 0.00 178.31 177.05 3c5h h VAL 181 N 0.51 1.06 -0.70 1.41 2.07 -0.72 0.20 116.25 120.08 3c5h h VAL 181 Ca 0.15 -0.30 -0.02 0.00 0.82 0.00 0.00 66.70 67.35 3c5h h VAL 181 Cb -0.04 0.12 -0.03 0.00 -1.52 0.00 0.00 31.29 29.82 3c5h h VAL 181 CO -0.04 0.16 0.36 -1.28 0.02 0.00 0.00 177.57 176.78 3c5h h SER 182 N 0.86 0.90 -0.44 0.57 0.87 -0.47 0.31 113.55 116.14 3c5h h SER 182 Ca 0.31 -0.12 -0.13 0.00 -1.23 0.00 0.00 61.79 60.62 3c5h h SER 182 Cb 0.09 -0.23 -0.01 0.00 -0.44 0.00 0.00 62.40 61.81 3c5h h SER 182 CO -0.14 0.76 -0.25 0.78 -0.53 0.00 0.00 176.83 177.46 3c5h h ASN 183 N 0.97 0.98 -0.67 6.23 2.35 -0.83 -2.40 115.58 122.21 3c5h h ASN 183 Ca 0.24 -0.41 -0.02 0.00 -0.55 0.00 0.00 56.30 55.56 3c5h h ASN 183 Cb 0.09 -0.27 -0.03 0.00 0.05 0.00 0.00 38.32 38.15 3c5h h ASN 183 CO -0.03 1.18 0.33 0.25 -1.65 0.00 0.00 177.43 177.51 3c5h h LEU 184 N 0.79 0.87 -0.50 1.61 5.85 -0.39 -2.85 115.31 120.69 3c5h h LEU 184 Ca 0.09 -0.13 0.03 0.00 0.84 0.00 0.00 57.88 58.72 3c5h h LEU 184 Cb 0.83 -0.22 -0.04 0.00 0.37 0.00 0.00 40.66 41.60 3c5h h LEU 184 CO 0.07 0.75 0.29 0.22 -0.34 0.00 0.00 178.44 179.43 3c5h h TYR 185 N 0.93 0.53 -0.58 1.25 3.20 -0.20 -0.96 116.97 121.14 3c5h h TYR 185 Ca 0.23 0.02 0.05 0.00 3.14 0.00 0.00 58.73 62.17 3c5h h TYR 185 Cb 0.11 -0.17 -0.05 0.00 1.54 0.00 0.00 36.73 38.16 3c5h h TYR 185 CO 0.00 0.29 0.31 -0.91 -1.64 0.00 0.00 178.16 176.21 3c5h h ASN 186 N 0.56 0.46 -0.58 -2.11 2.35 -1.25 0.19 115.58 115.20 3c5h h ASN 186 Ca 0.21 0.03 -0.00 0.00 -0.55 0.00 0.00 56.30 55.98 3c5h h ASN 186 Cb 0.05 -0.06 -0.03 0.00 0.05 0.00 0.00 38.32 38.33 3c5h h ASN 186 CO -0.11 0.31 0.35 1.56 -1.65 0.00 0.00 177.43 177.89 3c5h h GLN 187 N 0.59 0.79 -0.55 0.81 1.08 -1.20 -2.14 115.11 114.49 3c5h h GLN 187 Ca 0.26 -0.07 -0.01 0.00 -1.45 0.00 0.00 58.65 57.38 3c5h h GLN 187 Cb 0.15 -0.17 -0.03 0.00 -0.05 0.00 0.00 27.48 27.39 3c5h h GLN 187 CO -0.17 0.56 0.32 -0.07 -0.95 0.00 0.00 178.83 178.53 3c5h h LEU 188 N 0.79 0.67 -1.40 1.46 3.38 -0.47 -3.07 115.31 116.66 3c5h h LEU 188 Ca 0.21 -0.07 -0.04 0.00 0.09 0.00 0.00 57.88 58.07 3c5h h LEU 188 Cb -0.02 -0.17 -0.01 0.00 0.09 0.00 0.00 40.66 40.54 3c5h h LEU 188 CO -0.04 0.55 0.00 0.00 0.09 0.00 0.00 178.44 179.04 3c5h h ALA 189 N 1.15 1.52 -0.06 1.53 0.00 -0.32 -1.40 119.26 121.67 3c5h h ALA 189 Ca 0.19 -0.16 0.02 0.00 0.00 0.00 0.00 54.91 54.96 3c5h h ALA 189 Cb 0.01 -0.12 -0.00 0.00 0.00 0.00 0.00 17.79 17.68 3c5h h ALA 189 CO -0.03 0.35 0.06 0.87 0.00 0.00 0.00 179.25 180.50 3c5h h LYS 190 N 0.39 0.00 0.00 0.00 1.57 -1.29 -1.61 116.57 115.63 3c5h h LYS 190 Ca 0.09 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.87 3c5h h LYS 190 Cb 0.25 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.56 3c5h h LYS 190 CO 0.01 0.00 0.00 1.79 -0.57 0.00 0.00 179.45 180.68 3c5h h THR 191 N 0.00 0.00 -0.43 -0.16 1.35 -1.31 -3.47 112.91 108.89 3c5h h THR 191 Ca 0.03 -0.65 -0.18 0.00 -0.55 0.00 0.00 66.41 65.05 3c5h h THR 191 Cb 0.15 1.65 -0.07 0.00 -1.73 0.00 0.00 68.15 68.15 3c5h h THR 191 CO -0.00 0.00 -0.17 0.29 -0.25 0.00 0.00 175.52 175.39 3c5h n LYS 192 N -3.09 -1.67 -2.79 4.72 5.02 -0.60 -5.01 118.16 114.74 3c5h n LYS 192 Ca 0.02 0.80 -0.35 0.00 -2.02 0.00 0.00 58.31 56.76 3c5h n LYS 192 Cb 0.37 -5.19 -0.07 0.00 -0.02 0.00 0.00 35.03 30.12 3c5h n LYS 192 CO 0.00 0.00 0.00 0.15 -0.52 0.00 0.00 177.40 177.03 3c5h s LYS 193 N -2.71 4.42 0.36 1.97 -0.14 -1.26 -5.02 119.74 117.37 3c5h s LYS 193 Ca 0.00 1.24 -0.28 0.00 -1.36 0.00 0.00 55.97 55.57 3c5h s LYS 193 Cb 0.00 -2.53 -0.12 0.00 -1.68 0.00 0.00 37.83 33.51 3c5h s LYS 193 CO 0.00 0.14 1.41 -2.30 -0.76 0.00 0.00 175.35 173.84 3c5h n PRO 194 N 0.03 2.47 -4.52 -1.68 -0.02 -1.26 -4.85 135.00 125.17 3c5h n PRO 194 Ca 0.04 0.87 -0.22 0.00 -2.02 0.00 0.00 63.50 62.17 3c5h n PRO 194 Cb 0.52 -2.54 -0.16 0.00 -0.02 0.00 0.00 33.50 31.30 3c5h n PRO 194 CO 0.00 0.00 0.00 0.42 1.98 0.00 0.00 175.50 177.90 3c5h s ILE 195 N -1.09 0.98 -0.09 4.25 1.01 -1.26 -1.46 121.20 123.54 3c5h s ILE 195 Ca 0.54 -0.46 0.04 0.00 0.00 0.00 0.00 60.65 60.77 3c5h s ILE 195 Cb -0.51 -0.86 -0.01 0.00 0.01 0.00 0.00 42.46 41.09 3c5h s ILE 195 CO 0.63 0.30 -0.22 -0.69 0.00 0.00 0.00 174.94 174.95 3c5h s VAL 196 N 0.19 2.23 0.00 2.92 1.01 -0.66 -4.52 120.40 121.58 3c5h s VAL 196 Ca -0.04 -0.97 -0.28 0.00 0.00 0.00 0.00 61.98 60.68 3c5h s VAL 196 Cb -0.10 -1.85 -0.04 0.00 0.00 0.00 0.00 36.38 34.39 3c5h s VAL 196 CO 0.01 0.56 0.90 -0.69 0.00 0.00 0.00 175.10 175.88 3c5h s VAL 197 N 0.18 4.85 -0.20 2.92 1.01 -0.40 -0.23 120.40 128.54 3c5h s VAL 197 Ca -0.13 1.90 0.00 0.00 0.00 0.00 0.00 61.98 63.75 3c5h s VAL 197 Cb -0.16 -4.24 0.02 0.00 0.00 0.00 0.00 36.38 31.99 3c5h s VAL 197 CO 0.07 0.21 -0.16 -0.69 0.00 0.00 0.00 175.10 174.53 3c5h s VAL 198 N 0.76 2.29 -0.13 2.92 1.01 -0.07 -0.99 120.40 126.19 3c5h s VAL 198 Ca 0.47 -0.99 -0.24 0.00 0.00 0.00 0.00 61.98 61.23 3c5h s VAL 198 Cb -0.21 -2.04 -0.03 0.00 0.00 0.00 0.00 36.38 34.11 3c5h s VAL 198 CO 0.26 0.43 0.74 -0.76 0.00 0.00 0.00 175.10 175.77 3c5h s LEU 199 N 1.29 4.23 0.20 3.92 1.43 -0.14 -0.86 118.68 128.75 3c5h s LEU 199 Ca 0.03 1.12 0.06 0.00 -1.03 0.00 0.00 54.13 54.31 3c5h s LEU 199 Cb -0.14 -3.11 -0.04 0.00 0.03 0.00 0.00 46.19 42.92 3c5h s LEU 199 CO -0.10 -0.26 0.12 0.42 0.23 0.00 0.00 176.35 176.76 3c5h s THR 200 N 1.56 4.28 -1.34 5.49 -4.23 0.14 -0.04 115.64 121.51 3c5h s THR 200 Ca 0.36 -1.30 -0.08 0.00 -1.18 0.00 0.00 61.69 59.50 3c5h s THR 200 Cb -0.17 -3.23 0.01 0.00 1.34 0.00 0.00 72.50 70.45 3c5h s THR 200 CO 0.14 -0.20 1.14 0.29 -0.54 0.00 0.00 174.62 175.45 3c5h n LYS 201 N -0.61 -7.64 0.13 3.99 5.02 -1.14 -2.30 118.16 115.60 3c5h n LYS 201 Ca -0.08 0.82 0.13 0.00 -2.02 0.00 0.00 58.31 57.16 3c5h n LYS 201 Cb 0.56 -5.86 0.47 0.00 -0.02 0.00 0.00 35.03 30.18 3c5h n LYS 201 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 3c5h h ASP 203 N 0.00 0.00 0.00 0.00 2.03 -1.90 -1.31 116.42 115.23 3c5h h ASP 203 Ca 0.00 0.00 -0.01 0.00 -0.73 0.00 0.00 57.03 56.29 3c5h h ASP 203 Cb 0.51 0.00 -0.02 0.00 -0.83 0.00 0.00 39.33 38.98 3c5h h ASP 203 CO 0.00 0.00 -0.51 -0.62 -1.03 0.00 0.00 179.24 177.08 3c5h n GLU 204 N -3.28 1.48 -2.15 4.15 -0.58 -0.53 -5.09 120.64 114.64 3c5h n GLU 204 Ca -0.02 -3.20 -0.37 0.00 -0.42 0.00 0.00 57.16 53.15 3c5h n GLU 204 Cb 0.20 -1.52 0.00 0.00 -0.57 0.00 0.00 31.44 29.55 3c5h n GLU 204 CO 0.00 0.00 0.00 0.20 -0.48 0.00 0.00 177.13 176.85 3c5h s GLY 205 N -3.15 2.78 -0.21 0.62 0.00 -0.50 -1.88 107.32 104.98 3c5h s GLY 205 Ca 0.37 1.01 -0.09 0.00 0.00 0.00 0.00 44.72 46.01 3c5h s GLY 205 CO -0.07 1.46 0.11 0.14 0.00 0.00 0.00 173.10 174.74 3c5h s VAL 206 N -1.52 5.06 0.33 1.40 1.01 0.31 -4.75 120.40 122.24 3c5h s VAL 206 Ca 0.67 0.07 0.02 0.00 0.00 0.00 0.00 61.98 62.74 3c5h s VAL 206 Cb -0.31 -3.33 0.21 0.00 0.00 0.00 0.00 36.38 32.96 3c5h s VAL 206 CO 0.36 0.40 1.93 1.05 0.00 0.00 0.00 175.10 178.85 3c5h h GLU 207 N 7.16 0.75 -0.64 2.72 9.09 -1.96 -0.80 114.58 130.90 3c5h h GLU 207 Ca -0.38 -0.10 -0.06 0.00 0.05 0.00 0.00 59.36 58.87 3c5h h GLU 207 Cb 1.17 -0.14 -0.03 0.00 -1.65 0.00 0.00 28.75 28.10 3c5h h GLU 207 CO 0.68 0.60 0.15 -0.09 0.05 0.00 0.00 179.01 180.39 3c5h h ARG 208 N 0.75 1.01 -0.08 1.06 1.12 -1.95 0.19 114.38 116.48 3c5h h ARG 208 Ca 0.19 -0.23 -0.03 0.00 -1.11 0.00 0.00 59.98 58.79 3c5h h ARG 208 Cb 0.10 -0.14 -0.00 0.00 -0.01 0.00 0.00 29.97 29.92 3c5h h ARG 208 CO -0.02 0.90 -0.08 1.88 -3.11 0.00 0.00 179.97 179.54 3c5h h TYR 209 N 0.96 0.24 -0.32 2.20 0.05 -1.71 -1.42 116.97 116.98 3c5h h TYR 209 Ca 0.20 -0.07 0.05 0.00 0.05 0.00 0.00 58.73 58.96 3c5h h TYR 209 Cb 0.35 -0.05 -0.04 0.00 1.01 0.00 0.00 36.73 38.00 3c5h h TYR 209 CO 0.02 0.63 0.06 0.82 -1.05 0.00 0.00 178.16 178.64 3c5h h ILE 210 N -0.21 0.84 -0.35 -2.88 2.04 -1.01 -0.66 117.51 115.28 3c5h h ILE 210 Ca 0.01 -0.06 0.02 0.00 1.00 0.00 0.00 64.86 65.83 3c5h h ILE 210 Cb 0.58 0.65 -0.02 0.00 -0.74 0.00 0.00 36.82 37.29 3c5h h ILE 210 CO 0.02 0.03 0.20 -0.09 0.00 0.00 0.00 178.15 178.31 3c5h h ARG 211 N 0.18 0.39 -0.75 2.37 9.65 -0.96 -1.26 114.38 124.00 3c5h h ARG 211 Ca 0.15 -0.02 -0.01 0.00 -1.10 0.00 0.00 59.98 59.00 3c5h h ARG 211 Cb 0.17 -0.09 -0.04 0.00 -1.39 0.00 0.00 29.97 28.62 3c5h h ARG 211 CO -0.20 0.26 0.43 -0.44 2.80 0.00 0.00 179.97 182.82 3c5h h ASP 212 N 0.40 0.90 -0.57 -3.80 3.32 -0.91 -0.64 116.42 115.12 3c5h h ASP 212 Ca 0.14 -0.06 -0.08 0.00 0.02 0.00 0.00 57.03 57.05 3c5h h ASP 212 Cb 0.01 -0.23 -0.02 0.00 0.22 0.00 0.00 39.33 39.32 3c5h h ASP 212 CO -0.07 0.70 0.04 0.00 -1.72 0.00 0.00 179.24 178.19 3c5h h ALA 213 N 1.45 0.77 -0.55 3.45 0.00 -0.73 -1.16 119.26 122.48 3c5h h ALA 213 Ca 0.27 -0.28 -0.05 0.00 0.00 0.00 0.00 54.91 54.84 3c5h h ALA 213 Cb -0.02 -0.21 -0.02 0.00 0.00 0.00 0.00 17.79 17.54 3c5h h ALA 213 CO -0.05 0.56 0.13 0.45 0.00 0.00 0.00 179.25 180.35 3c5h h HIS 214 N 0.87 0.93 -0.63 0.00 3.86 -0.95 -1.40 115.15 117.83 3c5h h HIS 214 Ca 0.17 -0.11 0.01 0.00 -1.16 0.00 0.00 60.37 59.28 3c5h h HIS 214 Cb 0.50 -0.26 -0.03 0.00 1.06 0.00 0.00 27.41 28.67 3c5h h HIS 214 CO 0.04 0.80 0.41 1.15 0.86 0.00 0.00 177.93 181.18 3c5h h THR 215 N 0.78 1.13 -0.36 2.45 2.02 -0.84 0.22 112.91 118.31 3c5h h THR 215 Ca 0.17 -0.28 0.04 0.00 0.77 0.00 0.00 66.41 67.11 3c5h h THR 215 Cb 0.34 0.24 -0.04 0.00 -1.74 0.00 0.00 68.15 66.96 3c5h h THR 215 CO 0.00 0.15 0.13 0.15 0.37 0.00 0.00 175.52 176.32 3c5h h PHE 216 N 0.82 0.23 -0.13 3.16 3.57 -0.94 -2.06 116.94 121.58 3c5h h PHE 216 Ca 0.24 0.02 -0.13 0.00 3.53 0.00 0.00 57.97 61.63 3c5h h PHE 216 Cb -0.05 -0.05 -0.01 0.00 2.79 0.00 0.00 35.95 38.62 3c5h h PHE 216 CO -0.04 0.10 -0.46 0.00 -2.23 0.00 0.00 178.31 175.67 3c5h h ALA 217 N 1.23 0.96 0.00 2.41 0.00 -0.69 -2.17 119.26 121.01 3c5h h ALA 217 Ca 0.16 -0.46 -0.01 0.00 0.00 0.00 0.00 54.91 54.60 3c5h h ALA 217 Cb 0.14 -0.09 -0.00 0.00 0.00 0.00 0.00 17.79 17.83 3c5h h ALA 217 CO -0.16 0.64 -0.07 -0.07 0.00 0.00 0.00 179.25 179.59 3c5h h LEU 218 N 0.27 0.00 -0.16 0.00 3.38 -0.79 -2.34 115.31 115.67 3c5h h LEU 218 Ca 0.02 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.99 3c5h h LEU 218 Cb 0.92 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.67 3c5h h LEU 218 CO 0.08 0.07 0.00 -1.54 0.09 0.00 0.00 178.44 177.13 3c5h n SER 219 N -3.26 0.25 -4.89 -0.43 3.41 -0.79 -4.82 113.62 103.10 3c5h n SER 219 Ca -0.01 0.55 -0.20 0.00 -0.26 0.00 0.00 58.87 58.95 3c5h n SER 219 Cb 0.28 -0.60 -0.03 0.00 -0.26 0.00 0.00 64.21 63.60 3c5h n SER 219 CO 0.00 0.00 0.00 -0.54 -0.16 0.00 0.00 175.04 174.34 3c5h s LYS 220 N -3.08 2.56 -0.33 4.33 -0.14 -0.88 -5.08 119.74 117.12 3c5h s LYS 220 Ca 0.08 -1.51 -0.25 0.00 -1.36 0.00 0.00 55.97 52.94 3c5h s LYS 220 Cb 0.12 -2.41 0.01 0.00 -1.68 0.00 0.00 37.83 33.87 3c5h s LYS 220 CO 0.40 -0.19 0.88 -1.59 -0.76 0.00 0.00 175.35 174.08 3c5h s LYS 221 N -4.15 3.92 -1.53 1.68 -2.85 -1.26 -4.33 119.74 111.21 3c5h s LYS 221 Ca 0.49 0.64 -0.08 0.00 -1.00 0.00 0.00 55.97 56.01 3c5h s LYS 221 Cb -0.04 -3.76 0.07 0.00 -2.06 0.00 0.00 37.83 32.03 3c5h s LYS 221 CO 0.28 -0.82 0.58 0.27 0.10 0.00 0.00 175.35 175.76 3c5h n ASN 222 N 6.52 -1.68 -4.50 0.03 6.94 -1.26 -4.95 115.26 116.36 3c5h n ASN 222 Ca 0.06 -1.00 -0.42 0.00 -0.02 0.00 0.00 54.58 53.20 3c5h n ASN 222 Cb 0.48 -2.95 -0.09 0.00 -2.36 0.00 0.00 39.78 34.86 3c5h n ASN 222 CO 0.00 0.00 0.00 -0.22 -1.03 0.00 0.00 177.26 176.01 3c5h s LEU 223 N -7.12 4.74 0.43 -4.53 2.96 -1.26 -5.05 118.68 108.86 3c5h s LEU 223 Ca 0.32 -0.54 -0.15 0.00 -0.22 0.00 0.00 54.13 53.55 3c5h s LEU 223 Cb -0.17 -2.36 -0.08 0.00 0.50 0.00 0.00 46.19 44.08 3c5h s LEU 223 CO 0.90 -0.49 0.86 -1.10 -1.32 0.00 0.00 176.35 175.20 3c5h s GLN 224 N 2.07 3.93 -0.14 1.98 -0.21 -1.26 -4.68 119.66 121.35 3c5h s GLN 224 Ca 0.12 0.75 0.01 0.00 0.02 0.00 0.00 55.36 56.25 3c5h s GLN 224 Cb -0.17 -2.28 0.02 0.00 1.00 0.00 0.00 33.01 31.58 3c5h s GLN 224 CO 0.13 -0.09 -0.14 0.08 -2.12 0.00 0.00 175.29 173.15 3c5h s VAL 225 N -2.38 1.50 -0.18 1.09 1.01 -1.26 -1.28 120.40 118.91 3c5h s VAL 225 Ca 0.56 -0.60 -0.04 0.00 0.00 0.00 0.00 61.98 61.89 3c5h s VAL 225 Cb -0.10 -1.41 -0.02 0.00 0.00 0.00 0.00 36.38 34.84 3c5h s VAL 225 CO 0.27 0.45 -0.02 -0.69 0.00 0.00 0.00 175.10 175.11 3c5h s VAL 226 N 1.40 3.89 -0.28 2.92 1.01 -0.16 -5.00 120.40 124.18 3c5h s VAL 226 Ca 0.02 -0.34 -0.17 0.00 0.00 0.00 0.00 61.98 61.49 3c5h s VAL 226 Cb -0.13 -2.74 -0.03 0.00 0.00 0.00 0.00 36.38 33.49 3c5h s VAL 226 CO -0.09 0.46 0.46 -1.61 0.00 0.00 0.00 175.10 174.33 3c5h s GLU 227 N 0.73 3.97 0.23 2.72 2.02 -1.26 -0.97 118.70 126.13 3c5h s GLU 227 Ca -0.01 0.13 0.10 0.00 0.02 0.00 0.00 54.97 55.21 3c5h s GLU 227 Cb -0.14 -3.68 -0.05 0.00 0.10 0.00 0.00 34.13 30.36 3c5h s GLU 227 CO 0.02 -0.38 -0.18 0.95 0.02 0.00 0.00 175.26 175.70 3c5h s THR 228 N 2.24 2.07 -0.13 3.63 -4.23 0.94 -4.61 115.64 115.55 3c5h s THR 228 Ca 0.18 -2.24 -0.03 0.00 -1.18 0.00 0.00 61.69 58.42 3c5h s THR 228 Cb -0.16 -2.12 0.05 0.00 1.34 0.00 0.00 72.50 71.61 3c5h s THR 228 CO 0.10 -0.45 0.06 -0.55 -0.54 0.00 0.00 174.62 173.24 3c5h s SER 229 N -3.26 2.09 0.25 3.99 0.15 -0.56 -1.01 113.70 115.35 3c5h s SER 229 Ca 0.24 -0.43 -0.02 0.00 0.70 0.00 0.00 55.95 56.44 3c5h s SER 229 Cb -0.04 -0.31 0.29 0.00 -1.71 0.00 0.00 66.02 64.26 3c5h s SER 229 CO 0.10 -0.30 1.68 0.00 1.20 0.00 0.00 173.24 175.92 3c5h h ALA 230 N 8.38 0.99 0.16 5.45 0.00 -1.88 0.12 119.26 132.48 3c5h h ALA 230 Ca -0.15 -0.34 -0.01 0.00 0.00 0.00 0.00 54.91 54.41 3c5h h ALA 230 Cb 1.13 -0.15 0.00 0.00 0.00 0.00 0.00 17.79 18.78 3c5h h ALA 230 CO 0.26 0.59 -0.08 -0.09 0.00 0.00 0.00 179.25 179.94 3c5h h ARG 231 N 0.60 -0.21 -0.00 0.00 2.43 -1.95 -3.11 114.38 112.14 3c5h h ARG 231 Ca 0.09 0.01 0.00 0.00 -0.81 0.00 0.00 59.98 59.28 3c5h h ARG 231 Cb 0.66 0.05 0.00 0.00 -0.42 0.00 0.00 29.97 30.26 3c5h h ARG 231 CO 0.05 0.07 -0.12 0.43 -1.51 0.00 0.00 179.97 178.88 3c5h n SER 232 N -5.07 0.62 -3.30 -3.80 7.64 -1.24 -4.97 113.62 103.51 3c5h n SER 232 Ca -0.09 -0.71 -0.16 0.00 1.01 0.00 0.00 58.87 58.92 3c5h n SER 232 Cb 0.20 -0.03 0.06 0.00 -1.01 0.00 0.00 64.21 63.43 3c5h n SER 232 CO 0.00 0.00 0.00 -3.20 -3.01 0.00 0.00 175.04 168.83 3c5h n ASN 233 N -0.83 -6.57 -4.16 6.43 5.15 0.24 -5.03 115.26 110.50 3c5h n ASN 233 Ca 0.15 -0.68 -0.31 0.00 -0.60 0.00 0.00 54.58 53.13 3c5h n ASN 233 Cb 0.29 -4.89 -0.17 0.00 -0.53 0.00 0.00 39.78 34.48 3c5h n ASN 233 CO 0.00 0.00 0.00 -0.69 1.40 0.00 0.00 177.26 177.97 3c5h s VAL 234 N -3.35 1.92 -1.85 3.44 1.01 -0.24 -4.82 120.40 116.52 3c5h s VAL 234 Ca 0.40 -0.91 0.00 0.00 0.00 0.00 0.00 61.98 61.47 3c5h s VAL 234 Cb -0.07 -1.70 0.00 0.00 0.00 0.00 0.00 36.38 34.61 3c5h s VAL 234 CO 0.76 0.52 0.00 0.59 0.00 0.00 0.00 175.10 176.98 3c5h n ASN 235 N 3.95 -5.20 0.08 3.32 3.02 -1.26 -1.50 115.26 117.67 3c5h n ASN 235 Ca -0.20 0.35 -0.11 0.00 -0.03 0.00 0.00 54.58 54.60 3c5h n ASN 235 Cb 0.52 -4.29 -0.08 0.00 -0.61 0.00 0.00 39.78 35.32 3c5h n ASN 235 CO 0.00 0.00 0.00 0.58 -2.62 0.00 0.00 177.26 175.22 3c5h h VAL 236 N 0.00 0.80 -0.94 2.41 2.07 -1.87 -2.04 116.25 116.67 3c5h h VAL 236 Ca -0.38 -1.02 0.07 0.00 0.82 0.00 0.00 66.70 66.18 3c5h h VAL 236 Cb 1.21 1.31 -0.07 0.00 -1.52 0.00 0.00 31.29 32.22 3c5h h VAL 236 CO 0.54 0.19 0.59 0.44 0.02 0.00 0.00 177.57 179.35 3c5h h ASP 237 N -0.85 0.94 -0.92 0.57 5.19 -1.94 -2.54 116.42 116.87 3c5h h ASP 237 Ca -0.03 0.01 0.05 0.00 -0.62 0.00 0.00 57.03 56.44 3c5h h ASP 237 Cb 0.52 -0.18 -0.06 0.00 0.18 0.00 0.00 39.33 39.78 3c5h h ASP 237 CO 0.04 0.60 0.59 0.25 -3.12 0.00 0.00 179.24 177.60 3c5h h LEU 238 N 1.07 0.96 -0.24 1.55 5.85 -1.95 0.23 115.31 122.79 3c5h h LEU 238 Ca 0.41 0.00 0.01 0.00 0.84 0.00 0.00 57.88 59.14 3c5h h LEU 238 Cb 0.18 -0.21 -0.02 0.00 0.37 0.00 0.00 40.66 40.98 3c5h h LEU 238 CO -0.18 0.64 0.13 0.00 -0.34 0.00 0.00 178.44 178.69 3c5h h ALA 239 N 1.40 0.29 -0.20 1.25 0.00 -0.93 0.61 119.26 121.69 3c5h h ALA 239 Ca 0.38 0.00 -0.17 0.00 0.00 0.00 0.00 54.91 55.12 3c5h h ALA 239 Cb 0.07 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 17.82 3c5h h ALA 239 CO -0.14 -0.27 -0.54 0.74 0.00 0.00 0.00 179.25 179.03 3c5h h PHE 240 N 0.27 0.93 -0.56 0.00 0.04 -1.36 -2.95 116.94 113.30 3c5h h PHE 240 Ca 0.10 -0.36 -0.08 0.00 2.80 0.00 0.00 57.97 60.43 3c5h h PHE 240 Cb 0.02 -0.16 -0.02 0.00 2.20 0.00 0.00 35.95 37.98 3c5h h PHE 240 CO -0.09 1.16 0.04 0.66 -0.60 0.00 0.00 178.31 179.48 3c5h h SER 241 N 0.43 0.90 -0.51 2.17 4.64 -0.29 -1.57 113.55 119.32 3c5h h SER 241 Ca -0.01 -0.22 0.06 0.00 -0.47 0.00 0.00 61.79 61.15 3c5h h SER 241 Cb 1.16 -0.24 -0.05 0.00 -0.31 0.00 0.00 62.40 62.96 3c5h h SER 241 CO 0.12 0.93 0.21 0.74 -0.87 0.00 0.00 176.83 177.96 3c5h h THR 242 N 0.87 0.87 -0.45 2.95 2.02 -0.87 -0.47 112.91 117.83 3c5h h THR 242 Ca 0.17 -0.14 -0.04 0.00 0.77 0.00 0.00 66.41 67.17 3c5h h THR 242 Cb 0.45 0.43 -0.02 0.00 -1.74 0.00 0.00 68.15 67.27 3c5h h THR 242 CO 0.02 0.07 0.13 0.25 0.37 0.00 0.00 175.52 176.36 3c5h h LEU 243 N 0.40 0.67 -0.55 2.58 5.85 -1.25 -2.25 115.31 120.75 3c5h h LEU 243 Ca 0.24 -0.22 0.03 0.00 0.84 0.00 0.00 57.88 58.77 3c5h h LEU 243 Cb 0.23 -0.18 -0.04 0.00 0.37 0.00 0.00 40.66 41.04 3c5h h LEU 243 CO -0.22 0.71 0.32 0.58 -0.34 0.00 0.00 178.44 179.49 3c5h h VAL 244 N 0.60 1.03 -0.44 1.05 2.07 -0.82 0.11 116.25 119.86 3c5h h VAL 244 Ca 0.14 -0.22 0.04 0.00 0.82 0.00 0.00 66.70 67.49 3c5h h VAL 244 Cb 0.29 0.34 -0.04 0.00 -1.52 0.00 0.00 31.29 30.36 3c5h h VAL 244 CO -0.00 0.12 0.20 1.56 0.02 0.00 0.00 177.57 179.46 3c5h h GLN 245 N 0.63 0.39 -0.63 1.57 4.20 -1.03 -2.33 115.11 117.91 3c5h h GLN 245 Ca 0.23 -0.02 -0.06 0.00 0.06 0.00 0.00 58.65 58.86 3c5h h GLN 245 Cb 0.05 -0.09 -0.03 0.00 0.30 0.00 0.00 27.48 27.72 3c5h h GLN 245 CO -0.11 0.26 0.17 1.25 -0.67 0.00 0.00 178.83 179.72 3c5h h LEU 246 N 0.40 0.92 -1.06 1.46 5.85 -0.75 -2.68 115.31 119.46 3c5h h LEU 246 Ca 0.19 -0.18 0.04 0.00 0.84 0.00 0.00 57.88 58.77 3c5h h LEU 246 Cb 0.13 -0.24 -0.06 0.00 0.37 0.00 0.00 40.66 40.86 3c5h h LEU 246 CO -0.16 0.89 0.63 0.40 -0.34 0.00 0.00 178.44 179.86 3c5h h ILE 247 N 0.95 1.17 0.00 4.05 2.04 -0.28 -2.84 117.51 122.59 3c5h h ILE 247 Ca 0.20 -0.42 0.00 0.00 1.00 0.00 0.00 64.86 65.65 3c5h h ILE 247 Cb 0.32 -0.16 0.00 0.00 -0.74 0.00 0.00 36.82 36.24 3c5h h ILE 247 CO -0.00 0.22 -0.26 0.47 0.00 0.00 0.00 178.15 178.58 3c5h n ASP 248 N -4.44 0.29 0.00 1.72 8.00 -1.00 -5.05 116.55 116.08 3c5h n ASP 248 Ca 0.13 0.13 0.00 0.00 0.71 0.00 0.00 54.79 55.76 3c5h n ASP 248 Cb 0.10 -0.13 0.00 0.00 -0.02 0.00 0.00 41.12 41.07 3c5h n ASP 248 CO 0.00 0.00 0.00 0.29 -0.39 0.00 0.00 177.20 177.10