#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3ih5 s ASN 1 N 0.00 4.14 0.39 0.00 0.02 -1.26 -4.92 114.94 113.31 3ih5 s ASN 1 Ca 0.00 -2.01 0.05 0.00 -1.02 0.00 0.00 52.86 49.87 3ih5 s ASN 1 Cb 0.00 -1.11 0.06 0.00 0.02 0.00 0.00 41.25 40.22 3ih5 s ASN 1 CO 0.00 -0.37 0.50 0.59 0.02 0.00 0.00 177.10 177.84 3ih5 n ASN 2 N 4.38 1.15 -4.21 -1.22 3.02 -1.26 -4.32 115.26 112.80 3ih5 n ASN 2 Ca 0.02 -1.86 -0.36 0.00 -0.03 0.00 0.00 54.58 52.35 3ih5 n ASN 2 Cb 0.40 -0.28 -0.13 0.00 -0.61 0.00 0.00 39.78 39.16 3ih5 n ASN 2 CO 0.00 0.00 0.00 -0.22 -2.62 0.00 0.00 177.26 174.42 3ih5 s LEU 3 N 0.00 3.84 0.25 3.41 2.96 -0.83 -1.01 118.68 127.30 3ih5 s LEU 3 Ca 0.37 -1.13 -0.04 0.00 -0.22 0.00 0.00 54.13 53.10 3ih5 s LEU 3 Cb -0.03 -1.75 -0.05 0.00 0.50 0.00 0.00 46.19 44.86 3ih5 s LEU 3 CO 0.23 -0.24 0.50 -0.36 -1.32 0.00 0.00 176.35 175.16 3ih5 s PHE 4 N 1.31 3.47 -0.03 5.38 0.40 -0.33 -1.40 117.98 126.78 3ih5 s PHE 4 Ca -0.03 0.59 0.01 0.00 -0.60 0.00 0.00 56.93 56.90 3ih5 s PHE 4 Cb -0.19 -2.06 0.02 0.00 0.51 0.00 0.00 43.02 41.31 3ih5 s PHE 4 CO -0.01 0.25 -0.03 0.08 0.70 0.00 0.00 175.22 176.21 3ih5 s VAL 5 N -1.98 0.38 -0.30 -0.44 1.01 -0.81 -1.44 120.40 116.82 3ih5 s VAL 5 Ca 0.43 -0.05 -0.24 0.00 0.00 0.00 0.00 61.98 62.12 3ih5 s VAL 5 Cb -0.11 -0.43 0.00 0.00 0.00 0.00 0.00 36.38 35.85 3ih5 s VAL 5 CO 0.28 0.18 0.83 -0.47 0.00 0.00 0.00 175.10 175.92 3ih5 s TYR 6 N 0.85 3.21 -0.49 5.22 5.04 -0.65 -1.80 117.35 128.73 3ih5 s TYR 6 Ca -0.10 0.91 -0.21 0.00 -2.44 0.00 0.00 57.07 55.23 3ih5 s TYR 6 Cb -0.13 -3.24 0.04 0.00 0.35 0.00 0.00 41.96 38.98 3ih5 s TYR 6 CO -0.00 -0.56 0.70 0.00 -1.34 0.00 0.00 175.55 174.34 3ih5 s GLU 8 N 2.98 4.82 -0.01 0.00 2.12 -1.26 -4.55 118.70 122.79 3ih5 s GLU 8 Ca 0.21 1.54 0.05 0.00 0.36 0.00 0.00 54.97 57.13 3ih5 s GLU 8 Cb -0.16 -3.27 -0.03 0.00 0.26 0.00 0.00 34.13 30.94 3ih5 s GLU 8 CO 0.16 0.47 -0.15 0.42 -0.54 0.00 0.00 175.26 175.62 3ih5 s ILE 9 N -1.17 3.00 -0.13 -3.70 -1.09 -1.26 0.03 121.20 116.88 3ih5 s ILE 9 Ca 0.42 -0.89 -0.05 0.00 -2.23 0.00 0.00 60.65 57.89 3ih5 s ILE 9 Cb -0.27 -2.21 0.06 0.00 -1.58 0.00 0.00 42.46 38.46 3ih5 s ILE 9 CO 0.33 0.49 0.27 -0.70 -1.23 0.00 0.00 174.94 174.10 3ih5 s GLU 10 N -1.03 0.17 -1.49 2.79 2.12 -0.75 -4.90 118.70 115.61 3ih5 s GLU 10 Ca 0.13 0.72 -0.14 0.00 0.36 0.00 0.00 54.97 56.04 3ih5 s GLU 10 Cb -0.11 -0.04 0.10 0.00 0.26 0.00 0.00 34.13 34.35 3ih5 s GLU 10 CO 0.03 -0.26 0.72 0.39 -0.54 0.00 0.00 175.26 175.60 3ih5 n GLU 11 N 5.11 -3.90 0.00 4.30 1.02 -1.26 -1.24 120.64 124.67 3ih5 n GLU 11 Ca -0.10 0.48 0.00 0.00 -0.02 0.00 0.00 57.16 57.52 3ih5 n GLU 11 Cb 0.50 -5.25 0.00 0.00 -0.02 0.00 0.00 31.44 26.68 3ih5 n GLU 11 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 3ih5 n GLY 12 N -1.38 1.88 3.43 0.62 0.00 -1.26 -5.01 105.19 103.47 3ih5 n GLY 12 Ca 0.03 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.69 3ih5 n GLY 12 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3ih5 s ILE 13 N -2.53 4.25 0.12 -0.61 1.09 -0.37 -5.06 121.20 118.09 3ih5 s ILE 13 Ca 0.00 -0.23 -0.35 0.00 -1.10 0.00 0.00 60.65 58.97 3ih5 s ILE 13 Cb 0.00 -3.01 -0.15 0.00 -1.06 0.00 0.00 42.46 38.24 3ih5 s ILE 13 CO 0.00 0.31 1.52 0.52 -0.10 0.00 0.00 174.94 177.20 3ih5 n VAL 14 N 4.92 0.03 -1.97 2.92 0.31 -1.26 -1.81 118.33 121.48 3ih5 n VAL 14 Ca -0.16 -0.01 -0.36 0.00 -0.01 0.00 0.00 64.34 63.80 3ih5 n VAL 14 Cb 0.51 -1.33 0.04 0.00 -0.91 0.00 0.00 33.84 32.15 3ih5 n VAL 14 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 3ih5 s ALA 15 N 0.98 2.59 0.40 3.52 0.00 0.10 -4.89 121.76 124.46 3ih5 s ALA 15 Ca 0.82 1.08 0.11 0.00 0.00 0.00 0.00 51.96 53.97 3ih5 s ALA 15 Cb -0.77 -3.48 0.93 0.00 0.00 0.00 0.00 23.12 19.80 3ih5 s ALA 15 CO 0.42 -1.21 1.95 -0.44 0.00 0.00 0.00 175.76 176.47 3ih5 h ASP 16 N 1.01 0.49 -0.77 0.00 5.19 -1.90 -2.43 116.42 117.99 3ih5 h ASP 16 Ca -0.51 0.01 -0.02 0.00 -0.62 0.00 0.00 57.03 55.90 3ih5 h ASP 16 Cb 1.30 -0.09 -0.04 0.00 0.18 0.00 0.00 39.33 40.69 3ih5 h ASP 16 CO 0.55 0.29 0.41 0.58 -3.12 0.00 0.00 179.24 177.95 3ih5 h VAL 17 N 0.54 1.24 -0.54 -1.35 2.07 -1.96 -1.62 116.25 114.62 3ih5 h VAL 17 Ca 0.33 -0.61 -0.05 0.00 0.82 0.00 0.00 66.70 67.18 3ih5 h VAL 17 Cb 0.55 0.23 -0.02 0.00 -1.52 0.00 0.00 31.29 30.52 3ih5 h VAL 17 CO -0.11 0.27 0.13 0.28 0.02 0.00 0.00 177.57 178.16 3ih5 h SER 18 N 1.08 0.82 -0.70 0.57 0.02 -1.76 -1.54 113.55 112.05 3ih5 h SER 18 Ca 0.27 -0.23 -0.03 0.00 -0.84 0.00 0.00 61.79 60.95 3ih5 h SER 18 Cb 0.06 -0.22 -0.03 0.00 0.14 0.00 0.00 62.40 62.35 3ih5 h SER 18 CO -0.04 0.84 0.32 -0.07 -1.14 0.00 0.00 176.83 176.74 3ih5 h LEU 19 N 0.77 0.94 -1.51 5.07 3.38 -1.22 0.58 115.31 123.31 3ih5 h LEU 19 Ca 0.17 -0.12 -0.05 0.00 0.09 0.00 0.00 57.88 57.97 3ih5 h LEU 19 Cb 0.34 -0.24 -0.01 0.00 0.09 0.00 0.00 40.66 40.84 3ih5 h LEU 19 CO 0.00 0.82 -0.25 -0.33 0.09 0.00 0.00 178.44 178.77 3ih5 h GLU 20 N 1.02 0.00 0.00 1.13 5.08 -1.03 -1.11 114.58 119.67 3ih5 h GLU 20 Ca 0.24 0.00 -0.21 0.00 -1.00 0.00 0.00 59.36 58.39 3ih5 h GLU 20 Cb 0.15 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 29.36 3ih5 h GLU 20 CO -0.03 0.25 -1.18 -0.07 -1.00 0.00 0.00 179.01 176.98 3ih5 h LEU 21 N 0.00 0.00 -0.82 1.33 3.38 0.03 -1.15 115.31 118.08 3ih5 h LEU 21 Ca -0.00 0.00 -0.07 0.00 0.09 0.00 0.00 57.88 57.90 3ih5 h LEU 21 Cb 0.45 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 41.17 3ih5 h LEU 21 CO 0.03 0.87 0.14 -0.07 0.09 0.00 0.00 178.44 179.49 3ih5 h LEU 22 N 0.00 0.97 0.17 1.67 3.38 0.35 0.33 115.31 122.18 3ih5 h LEU 22 Ca -0.11 -0.20 -0.01 0.00 0.09 0.00 0.00 57.88 57.65 3ih5 h LEU 22 Cb 1.76 -0.25 0.00 0.00 0.09 0.00 0.00 40.66 42.25 3ih5 h LEU 22 CO 0.09 0.94 -0.08 0.74 0.09 0.00 0.00 178.44 180.22 3ih5 h THR 23 N 0.97 0.93 -0.54 0.22 2.02 -1.15 -0.78 112.91 114.58 3ih5 h THR 23 Ca 0.20 -0.57 -0.02 0.00 0.77 0.00 0.00 66.41 66.79 3ih5 h THR 23 Cb 0.37 1.28 -0.02 0.00 -1.74 0.00 0.00 68.15 68.04 3ih5 h THR 23 CO 0.00 0.13 0.26 0.50 0.37 0.00 0.00 175.52 176.78 3ih5 h LYS 24 N -0.52 0.79 -0.41 6.66 1.63 -1.19 -2.76 116.57 120.76 3ih5 h LYS 24 Ca -0.02 -0.12 0.08 0.00 -0.85 0.00 0.00 60.65 59.73 3ih5 h LYS 24 Cb 0.39 -0.14 -0.07 0.00 -0.60 0.00 0.00 32.23 31.82 3ih5 h LYS 24 CO 0.04 0.65 -0.02 0.78 -3.45 0.00 0.00 179.45 177.45 3ih5 h GLY 25 N 0.73 0.39 0.03 5.01 0.00 -0.31 -2.43 103.07 106.50 3ih5 h GLY 25 Ca 0.19 0.06 0.17 0.00 0.00 0.00 0.00 47.33 47.75 3ih5 h GLY 25 CO -0.02 -0.11 0.37 -0.09 0.00 0.00 0.00 176.54 176.69 3ih5 h ARG 26 N 0.09 0.46 -0.30 4.80 1.12 -0.84 0.30 114.38 120.00 3ih5 h ARG 26 Ca 0.20 -0.03 -0.12 0.00 -1.11 0.00 0.00 59.98 58.93 3ih5 h ARG 26 Cb 0.29 -0.10 -0.01 0.00 -0.01 0.00 0.00 29.97 30.14 3ih5 h ARG 26 CO -0.35 0.31 -0.27 0.77 -3.11 0.00 0.00 179.97 177.32 3ih5 h SER 27 N 0.48 0.76 -0.55 -3.80 0.02 -1.36 -0.39 113.55 108.71 3ih5 h SER 27 Ca 0.48 -0.46 -0.05 0.00 -0.84 0.00 0.00 61.79 60.93 3ih5 h SER 27 Cb 0.80 -0.21 -0.02 0.00 0.14 0.00 0.00 62.40 63.10 3ih5 h SER 27 CO -0.44 1.06 0.17 -0.07 -1.14 0.00 0.00 176.83 176.41 3ih5 h LEU 28 N 0.47 0.81 -0.95 5.07 3.38 -0.94 -1.27 115.31 121.87 3ih5 h LEU 28 Ca 0.05 -0.21 -0.02 0.00 0.09 0.00 0.00 57.88 57.79 3ih5 h LEU 28 Cb 0.83 -0.21 -0.04 0.00 0.09 0.00 0.00 40.66 41.33 3ih5 h LEU 28 CO 0.07 0.81 0.42 0.00 0.09 0.00 0.00 178.44 179.82 3ih5 h ALA 29 N 1.03 1.19 -0.84 1.53 0.00 -0.31 0.15 119.26 122.01 3ih5 h ALA 29 Ca 0.18 -0.14 -0.01 0.00 0.00 0.00 0.00 54.91 54.93 3ih5 h ALA 29 Cb 0.29 -0.33 -0.04 0.00 0.00 0.00 0.00 17.79 17.71 3ih5 h ALA 29 CO -0.00 0.63 0.47 -0.91 0.00 0.00 0.00 179.25 179.44 3ih5 h ASN 30 N 1.16 1.04 1.08 0.00 2.35 -0.71 0.11 115.58 120.62 3ih5 h ASN 30 Ca 0.29 -0.09 -0.10 0.00 -0.55 0.00 0.00 56.30 55.84 3ih5 h ASN 30 Cb 0.08 -0.26 -0.01 0.00 0.05 0.00 0.00 38.32 38.17 3ih5 h ASN 30 CO -0.04 0.83 -0.49 -0.08 -1.65 0.00 0.00 177.43 176.00 3ih5 h GLU 31 N 1.17 0.00 0.00 0.81 4.81 -0.51 -2.82 114.58 118.04 3ih5 h GLU 31 Ca 0.30 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.53 3ih5 h GLU 31 Cb 0.01 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.39 3ih5 h GLU 31 CO -0.05 0.49 -0.44 1.28 -0.73 0.00 0.00 179.01 179.56 3ih5 n LEU 32 N -3.41 0.54 -3.81 1.64 4.77 -0.03 -4.95 117.00 111.75 3ih5 n LEU 32 Ca 0.01 0.22 -0.28 0.00 -0.03 0.00 0.00 56.01 55.93 3ih5 n LEU 32 Cb 0.64 -0.26 0.04 0.00 -2.33 0.00 0.00 43.42 41.50 3ih5 n LEU 32 CO 0.39 0.00 0.13 0.59 -1.33 0.00 0.00 177.39 177.18 3ih5 n ASN 33 N -1.83 -4.87 -3.75 -1.43 3.02 -0.06 -5.01 115.26 101.34 3ih5 n ASN 33 Ca 0.05 -0.72 -0.22 0.00 -0.03 0.00 0.00 54.58 53.66 3ih5 n ASN 33 Cb 0.39 -4.22 -0.05 0.00 -0.61 0.00 0.00 39.78 35.29 3ih5 n ASN 33 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 3ih5 s GLN 35 N -3.25 3.53 -0.28 0.00 -0.21 -1.26 -4.49 119.66 113.69 3ih5 s GLN 35 Ca 0.03 -0.28 -0.12 0.00 0.02 0.00 0.00 55.36 55.01 3ih5 s GLN 35 Cb 0.00 -2.73 -0.05 0.00 1.00 0.00 0.00 33.01 31.23 3ih5 s GLN 35 CO 0.02 0.27 0.23 -1.17 -2.12 0.00 0.00 175.29 172.51 3ih5 s LEU 36 N -3.76 4.02 0.30 2.90 2.96 -1.26 -1.97 118.68 121.86 3ih5 s LEU 36 Ca 0.40 0.05 0.10 0.00 -0.22 0.00 0.00 54.13 54.46 3ih5 s LEU 36 Cb -0.10 -2.18 -0.05 0.00 0.50 0.00 0.00 46.19 44.36 3ih5 s LEU 36 CO 0.32 -0.08 -0.06 -1.61 -1.32 0.00 0.00 176.35 173.60 3ih5 s GLU 37 N 1.82 2.03 0.05 1.98 2.02 -0.49 -0.04 118.70 126.06 3ih5 s GLU 37 Ca 0.09 -1.64 -0.10 0.00 0.02 0.00 0.00 54.97 53.34 3ih5 s GLU 37 Cb -0.16 -1.96 0.00 0.00 0.10 0.00 0.00 34.13 32.12 3ih5 s GLU 37 CO 0.11 0.28 0.20 0.00 0.02 0.00 0.00 175.26 175.86 3ih5 s ALA 38 N -2.45 -0.35 -0.02 5.21 0.00 -0.40 -1.93 121.76 121.82 3ih5 s ALA 38 Ca 0.32 -0.33 0.03 0.00 0.00 0.00 0.00 51.96 51.98 3ih5 s ALA 38 Cb -0.04 0.32 -0.00 0.00 0.00 0.00 0.00 23.12 23.40 3ih5 s ALA 38 CO 0.18 -0.39 -0.09 0.08 0.00 0.00 0.00 175.76 175.54 3ih5 s VAL 39 N -2.80 0.72 -0.01 0.00 1.01 -0.74 -0.87 120.40 117.71 3ih5 s VAL 39 Ca -0.03 -0.35 -0.01 0.00 0.00 0.00 0.00 61.98 61.58 3ih5 s VAL 39 Cb 0.00 -0.62 -0.00 0.00 0.00 0.00 0.00 36.38 35.76 3ih5 s VAL 39 CO -0.05 0.22 0.03 0.54 0.00 0.00 0.00 175.10 175.83 3ih5 s VAL 40 N 0.01 0.03 -0.02 2.92 0.11 -0.59 -1.11 120.40 121.75 3ih5 s VAL 40 Ca 0.00 -0.23 -0.00 0.00 -2.93 0.00 0.00 61.98 58.81 3ih5 s VAL 40 Cb -0.06 -0.12 0.03 0.00 -1.53 0.00 0.00 36.38 34.70 3ih5 s VAL 40 CO -0.00 -0.13 0.03 0.00 -3.33 0.00 0.00 175.10 171.67 3ih5 s ALA 41 N -0.38 0.08 0.00 1.54 0.00 -1.26 -1.15 121.76 120.59 3ih5 s ALA 41 Ca -0.04 0.31 0.00 0.00 0.00 0.00 0.00 51.96 52.23 3ih5 s ALA 41 Cb -0.03 -0.26 0.00 0.00 0.00 0.00 0.00 23.12 22.84 3ih5 s ALA 41 CO -0.00 -0.11 0.00 0.41 0.00 0.00 0.00 175.76 176.05 3ih5 n GLY 42 N 4.20 -0.78 3.25 0.00 0.00 -0.60 -4.82 105.19 106.44 3ih5 n GLY 42 Ca -0.28 -0.31 -0.24 0.00 0.00 0.00 0.00 46.02 45.19 3ih5 n GLY 42 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3ih5 s THR 43 N -4.00 1.58 -0.84 2.61 2.01 -1.26 -1.65 115.64 114.09 3ih5 s THR 43 Ca 0.00 -1.31 -0.03 0.00 0.31 0.00 0.00 61.69 60.66 3ih5 s THR 43 Cb 0.00 -1.41 -0.01 0.00 0.01 0.00 0.00 72.50 71.08 3ih5 s THR 43 CO 0.00 0.05 0.73 0.61 -0.69 0.00 0.00 174.62 175.32 3ih5 n GLY 44 N 1.53 -1.22 1.49 4.40 0.00 -1.26 -4.94 105.19 105.19 3ih5 n GLY 44 Ca -0.18 0.51 -0.12 0.00 0.00 0.00 0.00 46.02 46.22 3ih5 n GLY 44 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 3ih5 n LEU 45 N -2.36 4.72 -0.32 0.99 4.77 -1.26 -4.85 117.00 118.69 3ih5 n LEU 45 Ca -0.07 -4.08 0.13 0.00 -0.03 0.00 0.00 56.01 51.96 3ih5 n LEU 45 Cb 0.56 -0.61 0.31 0.00 -2.33 0.00 0.00 43.42 41.35 3ih5 n LEU 45 CO 0.57 1.50 1.12 0.11 -1.33 0.00 0.00 177.39 179.36 3ih5 h LYS 46 N 1.39 0.56 -0.64 3.23 1.57 -2.03 -2.53 116.57 118.12 3ih5 h LYS 46 Ca 0.30 -0.03 -0.44 0.00 -1.87 0.00 0.00 60.65 58.60 3ih5 h LYS 46 Cb 1.52 -0.13 -0.42 0.00 0.08 0.00 0.00 32.23 33.28 3ih5 h LYS 46 CO 0.61 0.37 -0.92 -0.85 -0.57 0.00 0.00 179.45 178.09 3ih5 n GLU 47 N -4.91 2.96 0.16 3.15 0.28 -1.26 -4.81 120.64 116.22 3ih5 n GLU 47 Ca 0.22 -3.94 0.03 0.00 -0.16 0.00 0.00 57.16 53.32 3ih5 n GLU 47 Cb 0.61 -2.05 0.41 0.00 1.43 0.00 0.00 31.44 31.84 3ih5 n GLU 47 CO 0.00 0.00 0.00 0.97 -0.16 0.00 0.00 177.13 177.94 3ih5 h ILE 48 N 3.35 1.18 -0.39 3.84 6.09 -1.82 -2.55 117.51 127.21 3ih5 h ILE 48 Ca 0.19 -0.81 0.11 0.00 -1.37 0.00 0.00 64.86 62.98 3ih5 h ILE 48 Cb 1.45 1.31 -0.02 0.00 0.47 0.00 0.00 36.82 40.03 3ih5 h ILE 48 CO 0.56 0.24 0.35 1.05 -3.07 0.00 0.00 178.15 177.28 3ih5 h GLU 49 N 0.13 0.00 -0.41 2.19 9.09 -1.87 -0.72 114.58 122.99 3ih5 h GLU 49 Ca 0.03 0.00 0.07 0.00 0.05 0.00 0.00 59.36 59.51 3ih5 h GLU 49 Cb 0.40 0.00 -0.02 0.00 -1.65 0.00 0.00 28.75 27.48 3ih5 h GLU 49 CO 0.03 0.00 0.28 0.87 0.05 0.00 0.00 179.01 180.24 3ih5 h LYS 50 N 0.00 0.22 0.00 1.06 1.57 -1.86 -0.17 116.57 117.40 3ih5 h LYS 50 Ca 0.18 -0.01 -0.08 0.00 -1.87 0.00 0.00 60.65 58.87 3ih5 h LYS 50 Cb 0.88 -0.05 -0.01 0.00 0.08 0.00 0.00 32.23 33.12 3ih5 h LYS 50 CO -0.00 0.15 -1.09 1.96 -0.57 0.00 0.00 179.45 179.89 3ih5 h GLN 51 N 0.23 0.00 0.00 3.15 4.20 -1.33 -3.42 115.11 117.94 3ih5 h GLN 51 Ca 0.19 0.00 -0.43 0.00 0.06 0.00 0.00 58.65 58.47 3ih5 h GLN 51 Cb 0.44 0.00 -0.06 0.00 0.30 0.00 0.00 27.48 28.16 3ih5 h GLN 51 CO -0.03 0.16 -2.42 -0.89 -0.67 0.00 0.00 178.83 174.98 3ih5 n ILE 52 N -2.83 1.39 -0.29 2.54 5.41 -0.94 -4.69 119.36 119.94 3ih5 n ILE 52 Ca -0.04 -0.36 0.05 0.00 1.00 0.00 0.00 62.75 63.40 3ih5 n ILE 52 Cb 0.69 -1.83 0.19 0.00 -0.71 0.00 0.00 39.64 37.97 3ih5 n ILE 52 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 176.55 176.48 3ih5 h LEU 53 N -0.89 0.62 -2.26 1.39 3.38 -1.29 -2.10 115.31 114.16 3ih5 h LEU 53 Ca -0.64 0.07 0.01 0.00 0.09 0.00 0.00 57.88 57.40 3ih5 h LEU 53 Cb 1.57 -0.05 -0.00 0.00 0.09 0.00 0.00 40.66 42.27 3ih5 h LEU 53 CO -0.38 0.32 0.25 -0.65 0.09 0.00 0.00 178.44 178.07 3ih5 h PRO 54 N 0.73 0.00 0.00 1.13 0.11 -1.78 -0.26 132.00 131.93 3ih5 h PRO 54 Ca 0.43 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.54 3ih5 h PRO 54 Cb 0.48 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.59 3ih5 h PRO 54 CO -0.29 0.00 0.00 0.66 -0.21 0.00 0.00 178.00 178.16 3ih5 n TYR 55 N -3.06 0.00 0.00 0.65 4.02 -0.79 -0.31 117.16 117.66 3ih5 n TYR 55 Ca -0.01 0.00 0.00 0.00 -0.01 0.00 0.00 57.90 57.88 3ih5 n TYR 55 Cb 0.31 0.00 0.00 0.00 -0.02 0.00 0.00 39.34 39.63 3ih5 n TYR 55 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 3ih5 n GLY 56 N 0.93 1.95 3.68 2.72 0.00 -0.12 -4.46 105.19 109.89 3ih5 n GLY 56 Ca 0.21 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.81 3ih5 n GLY 56 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3ih5 s VAL 57 N -2.00 4.84 -0.12 1.61 1.01 -1.11 -4.65 120.40 119.98 3ih5 s VAL 57 Ca 0.00 1.83 0.15 0.00 0.00 0.00 0.00 61.98 63.96 3ih5 s VAL 57 Cb 0.00 -4.22 -0.05 0.00 0.00 0.00 0.00 36.38 32.11 3ih5 s VAL 57 CO 0.00 0.03 1.13 0.44 0.00 0.00 0.00 175.10 176.70 3ih5 h ASP 58 N 7.18 0.00 -2.63 3.32 3.32 -0.77 -3.39 116.42 123.45 3ih5 h ASP 58 Ca -0.31 0.00 -0.06 0.00 0.02 0.00 0.00 57.03 56.69 3ih5 h ASP 58 Cb 1.14 0.00 -0.25 0.00 0.22 0.00 0.00 39.33 40.44 3ih5 h ASP 58 CO 0.84 0.57 -0.27 -0.75 -1.72 0.00 0.00 179.24 177.91 3ih5 s LYS 59 N -2.93 0.42 -0.20 3.56 2.20 -1.15 -1.23 119.74 120.41 3ih5 s LYS 59 Ca 0.00 1.08 0.00 0.00 -0.36 0.00 0.00 55.97 56.70 3ih5 s LYS 59 Cb 0.08 0.33 0.02 0.00 -1.51 0.00 0.00 37.83 36.76 3ih5 s LYS 59 CO 0.78 -0.21 -0.16 -1.17 -0.36 0.00 0.00 175.35 174.23 3ih5 s LEU 60 N 2.29 2.47 -0.25 5.43 2.96 0.39 -1.28 118.68 130.69 3ih5 s LEU 60 Ca -0.05 -0.72 -0.16 0.00 -0.22 0.00 0.00 54.13 52.98 3ih5 s LEU 60 Cb -0.10 -1.54 -0.03 0.00 0.50 0.00 0.00 46.19 45.02 3ih5 s LEU 60 CO -0.15 -0.04 0.43 -1.00 -1.32 0.00 0.00 176.35 174.28 3ih5 s HIS 61 N 1.30 3.28 -0.18 5.38 3.76 -0.05 -1.29 115.29 127.49 3ih5 s HIS 61 Ca 0.03 0.54 -0.00 0.00 -0.15 0.00 0.00 55.06 55.47 3ih5 s HIS 61 Cb -0.14 -2.61 0.01 0.00 1.11 0.00 0.00 32.58 30.94 3ih5 s HIS 61 CO -0.10 -0.20 -0.15 0.08 -0.85 0.00 0.00 174.74 173.53 3ih5 s VAL 62 N 1.97 2.59 -0.18 -0.90 1.01 0.29 -1.54 120.40 123.65 3ih5 s VAL 62 Ca 0.18 -0.77 -0.02 0.00 0.00 0.00 0.00 61.98 61.37 3ih5 s VAL 62 Cb -0.15 -2.11 -0.00 0.00 0.00 0.00 0.00 36.38 34.11 3ih5 s VAL 62 CO 0.09 0.50 -0.10 -0.36 0.00 0.00 0.00 175.10 175.23 3ih5 s PHE 63 N 1.16 2.87 -0.26 5.22 0.08 -0.30 -1.48 117.98 125.27 3ih5 s PHE 63 Ca 0.01 -1.01 -0.03 0.00 0.12 0.00 0.00 56.93 56.02 3ih5 s PHE 63 Cb -0.14 -1.99 0.09 0.00 -0.57 0.00 0.00 43.02 40.41 3ih5 s PHE 63 CO -0.06 -0.51 0.10 0.34 -0.10 0.00 0.00 175.22 175.00 3ih5 s ASP 64 N 1.11 3.35 0.13 1.36 -1.08 -1.26 -1.56 116.67 118.71 3ih5 s ASP 64 Ca 0.01 -1.18 -0.10 0.00 -0.52 0.00 0.00 52.55 50.76 3ih5 s ASP 64 Cb -0.14 -0.47 -0.00 0.00 -1.46 0.00 0.00 42.92 40.85 3ih5 s ASP 64 CO -0.03 -0.40 0.26 0.00 0.52 0.00 0.00 175.17 175.52 3ih5 s ALA 65 N 1.98 -0.20 0.24 3.66 0.00 -0.66 -4.93 121.76 121.85 3ih5 s ALA 65 Ca 0.07 -0.68 -0.05 0.00 0.00 0.00 0.00 51.96 51.30 3ih5 s ALA 65 Cb -0.16 0.68 0.37 0.00 0.00 0.00 0.00 23.12 24.01 3ih5 s ALA 65 CO -0.26 -0.59 1.82 0.93 0.00 0.00 0.00 175.76 177.67 3ih5 h GLU 66 N 2.61 0.82 -0.05 0.00 4.39 -1.95 -2.86 114.58 117.54 3ih5 h GLU 66 Ca -0.33 -0.05 0.00 0.00 0.34 0.00 0.00 59.36 59.32 3ih5 h GLU 66 Cb 1.22 -0.19 0.00 0.00 -0.10 0.00 0.00 28.75 29.68 3ih5 h GLU 66 CO 0.51 0.54 0.00 0.41 -1.16 0.00 0.00 179.01 179.32 3ih5 n GLY 67 N -1.32 -0.68 0.79 -3.84 0.00 -1.26 -3.45 105.19 95.43 3ih5 n GLY 67 Ca 0.13 -0.15 0.12 0.00 0.00 0.00 0.00 46.02 46.12 3ih5 n GLY 67 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 3ih5 n LEU 68 N -0.45 2.55 -3.81 0.99 4.77 -1.08 -4.82 117.00 115.15 3ih5 n LEU 68 Ca 0.10 -0.86 -0.13 0.00 -0.03 0.00 0.00 56.01 55.10 3ih5 n LEU 68 Cb 0.10 -0.00 -0.14 0.00 -2.33 0.00 0.00 43.42 41.05 3ih5 n LEU 68 CO 0.08 0.43 -0.26 -0.47 -1.33 0.00 0.00 177.39 175.84 3ih5 s TYR 69 N -2.09 -0.11 0.91 -1.77 5.04 -1.22 -4.04 117.35 114.08 3ih5 s TYR 69 Ca 0.28 0.30 -0.11 0.00 -2.44 0.00 0.00 57.07 55.09 3ih5 s TYR 69 Cb 0.20 -0.02 0.14 0.00 0.35 0.00 0.00 41.96 42.63 3ih5 s TYR 69 CO 0.35 -0.08 1.09 -2.14 -1.34 0.00 0.00 175.55 173.43 3ih5 s PRO 70 N 0.42 1.12 0.04 4.97 0.02 -1.26 -4.94 135.00 135.38 3ih5 s PRO 70 Ca -0.03 0.87 -0.37 0.00 0.02 0.00 0.00 61.00 61.49 3ih5 s PRO 70 Cb -0.04 -1.79 -0.16 0.00 0.02 0.00 0.00 34.50 32.53 3ih5 s PRO 70 CO -0.02 -2.35 1.45 0.98 -0.33 0.00 0.00 177.00 176.73 3ih5 n TYR 71 N -3.96 1.72 -4.41 6.54 4.19 -1.26 -5.00 117.16 114.98 3ih5 n TYR 71 Ca 0.07 0.55 -0.20 0.00 3.31 0.00 0.00 57.90 61.63 3ih5 n TYR 71 Cb 0.55 -2.39 -0.10 0.00 0.49 0.00 0.00 39.34 37.89 3ih5 n TYR 71 CO 0.00 0.00 0.00 0.95 0.91 0.00 0.00 176.86 178.72 3ih5 s THR 72 N 1.09 1.60 -0.00 2.97 -4.23 -1.26 -5.10 115.64 110.71 3ih5 s THR 72 Ca 0.86 -2.13 -0.19 0.00 -1.18 0.00 0.00 61.69 59.05 3ih5 s THR 72 Cb -0.92 -2.38 -0.33 0.00 1.34 0.00 0.00 72.50 70.21 3ih5 s THR 72 CO 0.48 -0.35 0.96 0.28 -0.54 0.00 0.00 174.62 175.46 3ih5 h SER 73 N 2.34 0.68 -0.00 3.99 0.02 -1.99 -3.27 113.55 115.32 3ih5 h SER 73 Ca -0.39 -0.92 -0.00 0.00 -0.84 0.00 0.00 61.79 59.63 3ih5 h SER 73 Cb 1.23 -0.22 0.00 0.00 0.14 0.00 0.00 62.40 63.55 3ih5 h SER 73 CO 0.66 1.56 -0.00 -0.07 -1.14 0.00 0.00 176.83 177.83 3ih5 h LEU 74 N -0.08 0.01 -0.21 5.07 3.38 -1.98 -2.12 115.31 119.37 3ih5 h LEU 74 Ca -0.20 -0.56 0.01 0.00 0.09 0.00 0.00 57.88 57.22 3ih5 h LEU 74 Cb 1.90 -0.00 -0.01 0.00 0.09 0.00 0.00 40.66 42.64 3ih5 h LEU 74 CO 0.22 0.56 0.12 -0.65 0.09 0.00 0.00 178.44 178.78 3ih5 h PRO 75 N -0.55 0.24 -0.22 1.13 0.11 -1.94 0.57 132.00 131.34 3ih5 h PRO 75 Ca 0.00 -0.01 -0.05 0.00 0.11 0.00 0.00 66.00 66.04 3ih5 h PRO 75 Cb 0.56 -0.05 -0.01 0.00 0.11 0.00 0.00 31.00 31.61 3ih5 h PRO 75 CO 0.00 0.16 -0.10 0.45 -0.21 0.00 0.00 178.00 178.30 3ih5 h HIS 76 N 0.24 0.37 -0.02 0.65 3.86 -1.65 -1.25 115.15 117.36 3ih5 h HIS 76 Ca 0.08 -0.04 -0.04 0.00 -1.16 0.00 0.00 60.37 59.21 3ih5 h HIS 76 Cb 0.00 -0.10 0.00 0.00 1.06 0.00 0.00 27.41 28.37 3ih5 h HIS 76 CO -0.08 0.45 -0.16 1.15 0.86 0.00 0.00 177.93 180.15 3ih5 h THR 77 N 0.33 1.53 -0.69 2.45 2.02 -1.02 -2.74 112.91 114.80 3ih5 h THR 77 Ca 0.07 -1.77 0.12 0.00 0.77 0.00 0.00 66.41 65.59 3ih5 h THR 77 Cb 0.39 2.64 -0.13 0.00 -1.74 0.00 0.00 68.15 69.31 3ih5 h THR 77 CO 0.02 0.48 -0.35 0.28 0.37 0.00 0.00 175.52 176.32 3ih5 h SER 78 N -0.51 -1.24 0.47 4.18 0.02 -0.79 -0.33 113.55 115.36 3ih5 h SER 78 Ca -0.02 0.25 -0.02 0.00 -0.84 0.00 0.00 61.79 61.17 3ih5 h SER 78 Cb 0.87 0.62 -0.01 0.00 0.14 0.00 0.00 62.40 64.03 3ih5 h SER 78 CO 0.03 -0.30 -0.29 0.40 -1.14 0.00 0.00 176.83 175.53 3ih5 h ILE 79 N -0.12 0.40 -0.87 3.27 2.04 -1.24 0.45 117.51 121.43 3ih5 h ILE 79 Ca 0.26 0.00 -0.00 0.00 1.00 0.00 0.00 64.86 66.11 3ih5 h ILE 79 Cb 0.56 0.40 -0.04 0.00 -0.74 0.00 0.00 36.82 37.00 3ih5 h ILE 79 CO -0.76 0.00 0.53 -0.07 0.00 0.00 0.00 178.15 177.85 3ih5 h LEU 80 N -0.73 1.04 0.15 1.44 3.38 -1.36 -0.66 115.31 118.56 3ih5 h LEU 80 Ca -0.05 -0.06 -0.01 0.00 0.09 0.00 0.00 57.88 57.85 3ih5 h LEU 80 Cb 0.60 -0.26 0.00 0.00 0.09 0.00 0.00 40.66 41.09 3ih5 h LEU 80 CO 0.05 0.80 -0.07 0.58 0.09 0.00 0.00 178.44 179.89 3ih5 h VAL 81 N 1.20 1.01 -0.32 1.22 2.07 -0.75 -0.09 116.25 120.58 3ih5 h VAL 81 Ca 0.31 -0.83 0.02 0.00 0.82 0.00 0.00 66.70 67.03 3ih5 h VAL 81 Cb -0.05 1.50 -0.02 0.00 -1.52 0.00 0.00 31.29 31.19 3ih5 h VAL 81 CO -0.06 0.19 0.17 0.78 0.02 0.00 0.00 177.57 178.67 3ih5 h ASN 82 N -0.60 0.26 -0.49 0.57 2.35 -0.86 -1.09 115.58 115.71 3ih5 h ASN 82 Ca -0.02 0.01 0.01 0.00 -0.55 0.00 0.00 56.30 55.75 3ih5 h ASN 82 Cb 0.46 -0.04 -0.03 0.00 0.05 0.00 0.00 38.32 38.76 3ih5 h ASN 82 CO 0.03 0.19 0.32 0.25 -1.65 0.00 0.00 177.43 176.58 3ih5 h LEU 83 N 0.35 0.55 -1.30 1.61 5.85 -1.12 -2.25 115.31 119.01 3ih5 h LEU 83 Ca 0.13 -0.01 -0.02 0.00 0.84 0.00 0.00 57.88 58.82 3ih5 h LEU 83 Cb 0.03 -0.13 -0.00 0.00 0.37 0.00 0.00 40.66 40.92 3ih5 h LEU 83 CO -0.08 0.40 -0.08 -0.26 -0.34 0.00 0.00 178.44 178.08 3ih5 h PHE 84 N 0.66 0.00 -0.16 1.25 -1.00 -0.78 0.23 116.94 117.13 3ih5 h PHE 84 Ca 0.18 0.00 -0.17 0.00 2.81 0.00 0.00 57.97 60.79 3ih5 h PHE 84 Cb -0.06 0.00 -0.00 0.00 3.61 0.00 0.00 35.95 39.49 3ih5 h PHE 84 CO -0.04 0.08 -0.61 0.87 -1.61 0.00 0.00 178.31 176.99 3ih5 h LYS 85 N 0.00 0.55 0.03 1.51 1.57 -0.63 -1.20 116.57 118.40 3ih5 h LYS 85 Ca -0.00 -0.38 -0.00 0.00 -1.87 0.00 0.00 60.65 58.40 3ih5 h LYS 85 Cb 0.60 0.05 0.00 0.00 0.08 0.00 0.00 32.23 32.97 3ih5 h LYS 85 CO 0.01 0.99 -0.02 0.93 -0.57 0.00 0.00 179.45 180.79 3ih5 h GLU 86 N 0.41 -0.05 0.00 3.15 5.08 -0.98 -3.37 114.58 118.83 3ih5 h GLU 86 Ca -0.00 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 3ih5 h GLU 86 Cb 1.17 0.01 0.00 0.00 0.50 0.00 0.00 28.75 30.43 3ih5 h GLU 86 CO 0.11 0.63 0.00 0.93 -1.00 0.00 0.00 179.01 179.69 3ih5 h GLU 87 N -0.86 0.00 -6.59 2.33 4.39 -1.06 -3.48 114.58 109.31 3ih5 h GLU 87 Ca -0.00 0.00 -0.51 0.00 0.34 0.00 0.00 59.36 59.18 3ih5 h GLU 87 Cb 0.70 0.00 0.03 0.00 -0.10 0.00 0.00 28.75 29.38 3ih5 h GLU 87 CO 0.01 0.00 -0.97 1.04 -1.16 0.00 0.00 179.01 177.93 3ih5 n GLN 88 N -2.78 -0.74 -1.88 2.33 1.13 -0.45 -4.70 117.38 110.29 3ih5 n GLN 88 Ca 0.04 0.29 -0.35 0.00 -1.94 0.00 0.00 57.00 55.05 3ih5 n GLN 88 Cb 0.46 -3.26 0.04 0.00 0.11 0.00 0.00 30.24 27.60 3ih5 n GLN 88 CO 0.00 0.00 0.00 -2.14 -1.44 0.00 0.00 177.06 173.48 3ih5 s PRO 89 N -6.62 2.84 0.05 -1.09 0.02 -1.26 -4.53 135.00 124.41 3ih5 s PRO 89 Ca 0.46 1.65 0.14 0.00 0.02 0.00 0.00 61.00 63.27 3ih5 s PRO 89 Cb -0.21 -1.93 -0.16 0.00 0.02 0.00 0.00 34.50 32.21 3ih5 s PRO 89 CO 0.92 -1.27 0.88 -0.56 -0.33 0.00 0.00 177.00 176.64 3ih5 h GLN 90 N 0.48 0.00 -4.58 5.54 3.07 -1.26 -3.35 115.11 115.01 3ih5 h GLN 90 Ca -0.49 0.00 -0.33 0.00 0.09 0.00 0.00 58.65 57.92 3ih5 h GLN 90 Cb 1.28 0.00 -0.26 0.00 0.08 0.00 0.00 27.48 28.58 3ih5 h GLN 90 CO 0.54 0.48 -0.76 0.42 0.09 0.00 0.00 178.83 179.60 3ih5 s ILE 91 N -2.77 0.58 -0.05 1.86 1.01 -1.22 -1.25 121.20 119.36 3ih5 s ILE 91 Ca -0.02 -0.62 0.01 0.00 0.00 0.00 0.00 60.65 60.02 3ih5 s ILE 91 Cb 0.08 -0.55 0.02 0.00 0.01 0.00 0.00 42.46 42.02 3ih5 s ILE 91 CO 0.81 -0.05 -0.08 0.00 0.00 0.00 0.00 174.94 175.63 3ih5 s LEU 93 N 0.84 2.90 -0.16 0.00 1.43 -0.52 -2.57 118.68 120.59 3ih5 s LEU 93 Ca -0.12 -1.21 -0.07 0.00 -1.03 0.00 0.00 54.13 51.71 3ih5 s LEU 93 Cb -0.15 -1.27 -0.04 0.00 0.03 0.00 0.00 46.19 44.76 3ih5 s LEU 93 CO 0.01 -0.71 0.06 -0.83 0.23 0.00 0.00 176.35 175.11 3ih5 s GLY 95 N -3.98 1.91 -1.25 -3.19 0.00 -1.26 -1.64 107.32 97.91 3ih5 s GLY 95 Ca 0.34 -0.74 -0.20 0.00 0.00 0.00 0.00 44.72 44.12 3ih5 s GLY 95 CO 0.19 -0.06 1.82 0.00 0.00 0.00 0.00 173.10 175.05 3ih5 s ALA 96 N 0.11 2.69 0.10 3.20 0.00 0.33 -3.83 121.76 124.35 3ih5 s ALA 96 Ca 0.05 -2.60 0.01 0.00 0.00 0.00 0.00 51.96 49.42 3ih5 s ALA 96 Cb -0.12 -4.66 -0.00 0.00 0.00 0.00 0.00 23.12 18.33 3ih5 s ALA 96 CO 0.01 -4.10 0.03 0.25 0.00 0.00 0.00 175.76 171.94 3ih5 n THR 97 N 6.99 0.00 0.14 0.00 -2.24 -1.26 -4.60 114.28 113.30 3ih5 n THR 97 Ca 0.47 -0.58 -0.13 0.00 -2.27 0.00 0.00 64.05 61.54 3ih5 n THR 97 Cb 0.46 0.20 -0.06 0.00 -2.10 0.00 0.00 70.33 68.83 3ih5 n THR 97 CO 0.00 0.00 0.00 0.58 -0.57 0.00 0.00 175.07 175.08 3ih5 h VAL 98 N 1.15 0.50 -0.15 2.28 2.07 -1.99 0.99 116.25 121.09 3ih5 h VAL 98 Ca -0.08 0.00 0.03 0.00 0.82 0.00 0.00 66.70 67.47 3ih5 h VAL 98 Cb 0.30 0.50 -0.03 0.00 -1.52 0.00 0.00 31.29 30.53 3ih5 h VAL 98 CO 0.13 0.00 -0.06 0.40 0.02 0.00 0.00 177.57 178.06 3ih5 h ILE 99 N -0.46 0.79 -0.88 4.57 2.04 -1.96 -2.77 117.51 118.83 3ih5 h ILE 99 Ca 0.01 0.00 0.13 0.00 1.00 0.00 0.00 64.86 66.01 3ih5 h ILE 99 Cb 0.45 0.79 -0.07 0.00 -0.74 0.00 0.00 36.82 37.25 3ih5 h ILE 99 CO -0.09 0.00 0.57 1.23 0.00 0.00 0.00 178.15 179.86 3ih5 h GLY 100 N -0.04 1.18 2.00 5.37 0.00 -1.58 0.27 103.07 110.28 3ih5 h GLY 100 Ca 0.08 -0.30 0.00 0.00 0.00 0.00 0.00 47.33 47.11 3ih5 h GLY 100 CO -0.18 0.11 0.00 3.21 0.00 0.00 0.00 176.54 179.67 3ih5 h ARG 101 N 0.70 0.00 0.04 4.80 3.08 -0.54 -0.07 114.38 122.40 3ih5 h ARG 101 Ca 0.43 0.00 -0.35 0.00 0.07 0.00 0.00 59.98 60.13 3ih5 h ARG 101 Cb 0.67 0.00 -0.05 0.00 0.08 0.00 0.00 29.97 30.67 3ih5 h ARG 101 CO -0.19 0.00 -2.09 -3.47 -1.07 0.00 0.00 179.97 173.14 3ih5 n ASP 102 N -2.50 1.38 0.02 7.04 2.03 -0.76 -4.57 116.55 119.19 3ih5 n ASP 102 Ca 0.05 0.15 -0.22 0.00 0.52 0.00 0.00 54.79 55.29 3ih5 n ASP 102 Cb 0.43 -0.22 -0.14 0.00 -0.72 0.00 0.00 41.12 40.47 3ih5 n ASP 102 CO 0.00 0.00 0.00 0.25 -1.92 0.00 0.00 177.20 175.53 3ih5 h LEU 103 N 0.02 0.43 -0.40 -2.67 5.85 -0.90 -3.34 115.31 114.30 3ih5 h LEU 103 Ca -0.44 -0.89 0.08 0.00 0.84 0.00 0.00 57.88 57.47 3ih5 h LEU 103 Cb 2.04 -0.14 -0.09 0.00 0.37 0.00 0.00 40.66 42.84 3ih5 h LEU 103 CO 0.04 1.75 -0.34 1.23 -0.34 0.00 0.00 178.44 180.77 3ih5 h GLY 104 N 0.52 -0.29 1.01 3.75 0.00 -1.22 -1.10 103.07 105.75 3ih5 h GLY 104 Ca -0.36 0.43 -0.04 0.00 0.00 0.00 0.00 47.33 47.35 3ih5 h GLY 104 CO 0.08 -0.20 0.23 -2.55 0.00 0.00 0.00 176.54 174.10 3ih5 h PRO 105 N -0.26 0.98 -0.48 4.80 0.11 -1.78 -0.86 132.00 134.51 3ih5 h PRO 105 Ca 0.17 -0.19 0.00 0.00 0.11 0.00 0.00 66.00 66.09 3ih5 h PRO 105 Cb 0.55 -0.15 -0.02 0.00 0.11 0.00 0.00 31.00 31.48 3ih5 h PRO 105 CO -0.54 0.84 0.31 0.00 -0.21 0.00 0.00 178.00 178.40 3ih5 h ARG 106 N 0.92 0.63 -0.07 1.05 3.08 -1.54 -1.20 114.38 117.25 3ih5 h ARG 106 Ca 0.21 -0.04 -0.09 0.00 0.07 0.00 0.00 59.98 60.13 3ih5 h ARG 106 Cb 0.25 -0.14 0.00 0.00 0.08 0.00 0.00 29.97 30.16 3ih5 h ARG 106 CO -0.01 0.42 -0.30 0.28 -1.07 0.00 0.00 179.97 179.29 3ih5 h VAL 107 N 0.65 1.43 0.00 2.04 2.07 -1.14 -2.79 116.25 118.50 3ih5 h VAL 107 Ca 0.17 -1.71 -0.04 0.00 0.82 0.00 0.00 66.70 65.95 3ih5 h VAL 107 Cb -0.07 2.33 -0.01 0.00 -1.52 0.00 0.00 31.29 32.02 3ih5 h VAL 107 CO -0.04 0.49 -0.19 0.77 0.02 0.00 0.00 177.57 178.62 3ih5 h SER 108 N -0.18 0.00 -0.10 0.57 4.64 -1.10 -2.66 113.55 114.73 3ih5 h SER 108 Ca -0.02 0.00 -0.23 0.00 -0.47 0.00 0.00 61.79 61.07 3ih5 h SER 108 Cb 0.95 0.00 0.01 0.00 -0.31 0.00 0.00 62.40 63.05 3ih5 h SER 108 CO 0.06 0.19 -0.82 0.28 -0.87 0.00 0.00 176.83 175.68 3ih5 h SER 109 N 0.00 0.91 0.85 4.97 0.02 -1.19 0.25 113.55 119.37 3ih5 h SER 109 Ca -0.00 -0.62 0.00 0.00 -0.84 0.00 0.00 61.79 60.33 3ih5 h SER 109 Cb 0.35 -0.27 0.00 0.00 0.14 0.00 0.00 62.40 62.62 3ih5 h SER 109 CO 0.03 1.42 0.00 0.00 -1.14 0.00 0.00 176.83 177.13 3ih5 h ALA 110 N 0.56 1.00 -0.34 3.77 0.00 -1.26 -2.62 119.26 120.37 3ih5 h ALA 110 Ca -0.06 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.85 3ih5 h ALA 110 Cb 1.45 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.24 3ih5 h ALA 110 CO 0.17 0.00 0.00 1.28 0.00 0.00 0.00 179.25 180.70 3ih5 n LEU 111 N -2.38 2.95 -3.67 0.00 4.77 -1.02 -5.00 117.00 112.66 3ih5 n LEU 111 Ca 0.02 -2.04 -0.28 0.00 -0.03 0.00 0.00 56.01 53.68 3ih5 n LEU 111 Cb 0.26 -0.24 0.04 0.00 -2.33 0.00 0.00 43.42 41.15 3ih5 n LEU 111 CO 0.22 0.73 -0.08 0.41 -1.33 0.00 0.00 177.39 177.34 3ih5 n THR 112 N 0.46 -5.77 -4.08 -5.08 -1.04 -0.93 -4.66 114.28 93.18 3ih5 n THR 112 Ca 0.12 -0.91 -0.14 0.00 -2.04 0.00 0.00 64.05 61.08 3ih5 n THR 112 Cb 0.44 -4.34 -0.13 0.00 -1.82 0.00 0.00 70.33 64.48 3ih5 n THR 112 CO 0.00 0.00 0.00 -0.94 -0.64 0.00 0.00 175.07 173.49 3ih5 s SER 113 N -3.66 0.64 -0.49 8.00 1.04 0.85 -4.58 113.70 115.50 3ih5 s SER 113 Ca 0.37 -0.31 -0.20 0.00 0.48 0.00 0.00 55.95 56.29 3ih5 s SER 113 Cb -0.12 -0.01 0.05 0.00 0.10 0.00 0.00 66.02 66.04 3ih5 s SER 113 CO 0.85 -0.08 0.66 -0.83 0.98 0.00 0.00 173.24 174.81 3ih5 s GLY 114 N -0.84 1.72 0.09 7.32 0.00 -1.26 -4.21 107.32 110.15 3ih5 s GLY 114 Ca -0.05 -1.57 -0.31 0.00 0.00 0.00 0.00 44.72 42.79 3ih5 s GLY 114 CO 0.00 1.54 1.40 -2.27 0.00 0.00 0.00 173.10 173.76 3ih5 s LEU 115 N 2.80 4.36 -0.39 0.66 2.96 -1.26 -4.93 118.68 122.88 3ih5 s LEU 115 Ca 0.18 2.29 -0.10 0.00 -0.22 0.00 0.00 54.13 56.28 3ih5 s LEU 115 Cb -0.17 -3.58 0.05 0.00 0.50 0.00 0.00 46.19 42.98 3ih5 s LEU 115 CO 0.14 -0.67 0.22 -0.89 -1.32 0.00 0.00 176.35 173.83 3ih5 s THR 116 N 1.39 4.41 0.57 3.68 2.01 -1.26 -5.03 115.64 121.41 3ih5 s THR 116 Ca 0.65 -1.08 -0.12 0.00 0.31 0.00 0.00 61.69 61.45 3ih5 s THR 116 Cb -0.36 -3.55 -0.05 0.00 0.01 0.00 0.00 72.50 68.55 3ih5 s THR 116 CO 0.30 -0.34 0.99 0.00 -0.69 0.00 0.00 174.62 174.88 3ih5 s ALA 117 N 1.50 3.11 -1.39 7.40 0.00 -1.26 -2.10 121.76 129.03 3ih5 s ALA 117 Ca 0.02 -0.03 -0.04 0.00 0.00 0.00 0.00 51.96 51.90 3ih5 s ALA 117 Cb -0.21 -3.05 0.03 0.00 0.00 0.00 0.00 23.12 19.89 3ih5 s ALA 117 CO 0.05 -0.50 0.76 -0.25 0.00 0.00 0.00 175.76 175.82 3ih5 n ASP 118 N -2.30 -2.23 -4.76 0.00 8.00 -1.05 -4.82 116.55 109.39 3ih5 n ASP 118 Ca 0.06 -0.83 -0.37 0.00 0.71 0.00 0.00 54.79 54.36 3ih5 n ASP 118 Cb 0.54 -3.90 0.01 0.00 -0.02 0.00 0.00 41.12 37.75 3ih5 n ASP 118 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 3ih5 n THR 120 N -0.93 0.14 -3.82 0.00 -2.24 0.42 -4.52 114.28 103.33 3ih5 n THR 120 Ca 0.10 -0.46 -0.12 0.00 -2.27 0.00 0.00 64.05 61.29 3ih5 n THR 120 Cb 0.48 0.00 -0.09 0.00 -2.10 0.00 0.00 70.33 68.62 3ih5 n THR 120 CO 0.00 0.00 0.00 -0.44 -0.57 0.00 0.00 175.07 174.06 3ih5 s SER 121 N -4.27 -0.06 -0.04 3.42 0.01 -1.13 -5.04 113.70 106.59 3ih5 s SER 121 Ca -0.07 -0.09 0.04 0.00 1.31 0.00 0.00 55.95 57.14 3ih5 s SER 121 Cb 0.11 0.25 -0.00 0.00 0.21 0.00 0.00 66.02 66.59 3ih5 s SER 121 CO 0.77 -0.41 -0.17 -0.76 0.41 0.00 0.00 173.24 173.08 3ih5 s LEU 122 N -1.39 1.90 0.32 2.44 1.43 -1.26 -1.82 118.68 120.29 3ih5 s LEU 122 Ca -0.14 -0.34 0.03 0.00 -1.03 0.00 0.00 54.13 52.65 3ih5 s LEU 122 Cb -0.06 -0.94 -0.02 0.00 0.03 0.00 0.00 46.19 45.19 3ih5 s LEU 122 CO 0.03 0.14 0.32 -1.61 0.23 0.00 0.00 176.35 175.46 3ih5 s GLU 123 N 0.08 1.73 -0.11 1.70 0.41 -1.08 -5.00 118.70 116.43 3ih5 s GLU 123 Ca -0.04 -1.87 0.00 0.00 -0.41 0.00 0.00 54.97 52.65 3ih5 s GLU 123 Cb -0.12 0.36 -0.02 0.00 -1.78 0.00 0.00 34.13 32.57 3ih5 s GLU 123 CO 0.02 -0.66 -0.13 0.42 -0.49 0.00 0.00 175.26 174.43 3ih5 s ILE 124 N -3.43 3.12 0.30 -1.63 -1.09 -1.26 -0.70 121.20 116.52 3ih5 s ILE 124 Ca 0.37 -0.65 -0.20 0.00 -2.23 0.00 0.00 60.65 57.94 3ih5 s ILE 124 Cb 0.02 -2.30 0.03 0.00 -1.58 0.00 0.00 42.46 38.64 3ih5 s ILE 124 CO 0.23 0.54 0.75 -0.83 -1.23 0.00 0.00 174.94 174.40 3ih5 s GLY 125 N 0.08 0.02 -0.13 6.18 0.00 -0.36 -4.91 107.32 108.20 3ih5 s GLY 125 Ca -0.05 -0.40 -0.05 0.00 0.00 0.00 0.00 44.72 44.21 3ih5 s GLY 125 CO 0.04 -0.12 0.05 0.99 0.00 0.00 0.00 173.10 174.06 3ih5 s ASP 126 N -2.96 5.59 -0.18 1.64 -0.00 -1.26 -0.21 116.67 119.28 3ih5 s ASP 126 Ca 0.12 0.17 0.00 0.00 -0.00 0.00 0.00 52.55 52.84 3ih5 s ASP 126 Cb -0.06 -1.80 0.02 0.00 -0.00 0.00 0.00 42.92 41.08 3ih5 s ASP 126 CO 0.08 0.29 -0.18 -2.28 -0.00 0.00 0.00 175.17 173.08 3ih5 s HIS 127 N -0.35 2.80 -0.25 4.23 5.65 -0.48 -4.99 115.29 121.90 3ih5 s HIS 127 Ca 0.09 -1.56 -0.14 0.00 0.25 0.00 0.00 55.06 53.69 3ih5 s HIS 127 Cb -0.12 -1.94 -0.04 0.00 -1.18 0.00 0.00 32.58 29.30 3ih5 s HIS 127 CO 0.02 -0.78 0.33 -1.83 -0.65 0.00 0.00 174.74 171.83 3ih5 s GLU 128 N 1.31 4.07 -0.78 2.88 -1.05 -1.26 -0.19 118.70 123.68 3ih5 s GLU 128 Ca 0.05 0.00 -0.23 0.00 -0.15 0.00 0.00 54.97 54.64 3ih5 s GLU 128 Cb -0.13 -3.60 0.07 0.00 -0.44 0.00 0.00 34.13 30.02 3ih5 s GLU 128 CO -0.12 -0.14 1.15 0.34 0.95 0.00 0.00 175.26 177.44 3ih5 s ASP 129 N 1.38 6.29 0.09 0.83 -1.08 -0.55 -4.91 116.67 118.72 3ih5 s ASP 129 Ca 0.14 -1.08 -0.23 0.00 -0.52 0.00 0.00 52.55 50.87 3ih5 s ASP 129 Cb -0.15 -2.48 -0.14 0.00 -1.46 0.00 0.00 42.92 38.69 3ih5 s ASP 129 CO 0.08 -1.50 1.74 0.11 0.52 0.00 0.00 175.17 176.13 3ih5 h LYS 130 N 9.61 0.02 -0.74 4.34 1.57 -1.96 -0.58 116.57 128.83 3ih5 h LYS 130 Ca -0.15 -0.00 0.08 0.00 -1.87 0.00 0.00 60.65 58.72 3ih5 h LYS 130 Cb 1.05 -0.00 -0.05 0.00 0.08 0.00 0.00 32.23 33.31 3ih5 h LYS 130 CO 1.23 0.01 0.49 0.87 -0.57 0.00 0.00 179.45 181.48 3ih5 h LYS 131 N 0.02 0.68 0.00 3.15 1.79 -1.97 -2.16 116.57 118.09 3ih5 h LYS 131 Ca 0.01 -0.04 -0.02 0.00 -2.18 0.00 0.00 60.65 58.42 3ih5 h LYS 131 Cb 0.00 -0.15 -0.00 0.00 -1.58 0.00 0.00 32.23 30.49 3ih5 h LYS 131 CO -0.01 0.45 -1.16 -1.91 -1.08 0.00 0.00 179.45 175.74 3ih5 n GLU 132 N -4.49 0.61 -1.42 3.15 2.13 -1.10 -4.98 120.64 114.55 3ih5 n GLU 132 Ca 0.12 0.10 0.00 0.00 0.66 0.00 0.00 57.16 58.04 3ih5 n GLU 132 Cb 0.29 -1.79 0.00 0.00 0.27 0.00 0.00 31.44 30.21 3ih5 n GLU 132 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 3ih5 n GLY 133 N 1.22 0.40 3.14 8.31 0.00 -0.24 -5.05 105.19 112.96 3ih5 n GLY 133 Ca -0.02 -0.99 -0.31 0.00 0.00 0.00 0.00 46.02 44.70 3ih5 n GLY 133 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 3ih5 s LYS 134 N -2.84 2.77 -0.20 1.61 2.20 -1.11 -5.02 119.74 117.15 3ih5 s LYS 134 Ca 0.00 -0.77 -0.19 0.00 -0.36 0.00 0.00 55.97 54.66 3ih5 s LYS 134 Cb 0.00 -2.24 -0.03 0.00 -1.51 0.00 0.00 37.83 34.05 3ih5 s LYS 134 CO 0.00 0.00 0.53 0.08 -0.36 0.00 0.00 175.35 175.60 3ih5 s VAL 135 N 0.78 5.10 -0.13 4.02 1.01 -1.26 -1.48 120.40 128.44 3ih5 s VAL 135 Ca -0.09 0.98 -0.17 0.00 0.00 0.00 0.00 61.98 62.70 3ih5 s VAL 135 Cb -0.16 -3.85 -0.04 0.00 0.00 0.00 0.00 36.38 32.33 3ih5 s VAL 135 CO 0.00 0.17 0.45 -0.31 0.00 0.00 0.00 175.10 175.41 3ih5 s TYR 136 N 1.63 3.49 0.07 5.22 2.02 0.74 -4.97 117.35 125.55 3ih5 s TYR 136 Ca 0.25 0.83 0.06 0.00 -0.37 0.00 0.00 57.07 57.83 3ih5 s TYR 136 Cb -0.15 -2.52 -0.04 0.00 -0.40 0.00 0.00 41.96 38.84 3ih5 s TYR 136 CO 0.10 0.16 -0.08 0.15 -1.57 0.00 0.00 175.55 174.30 3ih5 s LYS 137 N 0.66 2.30 -1.19 -0.62 1.02 -1.26 -1.39 119.74 119.27 3ih5 s LYS 137 Ca 0.24 -0.91 -0.17 0.00 0.02 0.00 0.00 55.97 55.15 3ih5 s LYS 137 Cb -0.15 -2.38 -0.01 0.00 -0.52 0.00 0.00 37.83 34.77 3ih5 s LYS 137 CO 0.09 0.54 0.73 0.09 -0.92 0.00 0.00 175.35 175.88 3ih5 n ASN 138 N 1.01 -4.33 -4.91 2.83 3.02 -1.21 -4.97 115.26 106.70 3ih5 n ASN 138 Ca -0.14 -1.02 -0.28 0.00 -0.03 0.00 0.00 54.58 53.11 3ih5 n ASN 138 Cb 0.52 -3.30 -0.03 0.00 -0.61 0.00 0.00 39.78 36.36 3ih5 n ASN 138 CO 0.00 0.00 0.00 -0.76 -2.62 0.00 0.00 177.26 173.88 3ih5 s LEU 139 N -6.59 4.07 -0.72 3.41 1.43 0.70 -4.81 118.68 116.17 3ih5 s LEU 139 Ca 0.38 0.66 -0.27 0.00 -1.03 0.00 0.00 54.13 53.88 3ih5 s LEU 139 Cb -0.14 -3.48 0.03 0.00 0.03 0.00 0.00 46.19 42.63 3ih5 s LEU 139 CO 0.87 -0.19 1.26 -0.22 0.23 0.00 0.00 176.35 178.30 3ih5 s LEU 140 N -3.59 3.22 -0.32 1.79 2.96 -1.26 -1.22 118.68 120.26 3ih5 s LEU 140 Ca 0.43 -0.41 -0.28 0.00 -0.22 0.00 0.00 54.13 53.65 3ih5 s LEU 140 Cb -0.11 -2.61 -0.03 0.00 0.50 0.00 0.00 46.19 43.94 3ih5 s LEU 140 CO 0.30 -1.79 1.99 -0.31 -1.32 0.00 0.00 176.35 175.22 3ih5 s TYR 141 N 5.61 1.53 -0.65 5.38 1.51 0.13 -4.66 117.35 126.20 3ih5 s TYR 141 Ca 0.35 0.68 -0.17 0.00 -1.01 0.00 0.00 57.07 56.92 3ih5 s TYR 141 Cb -0.08 -4.02 0.14 0.00 -0.11 0.00 0.00 41.96 37.89 3ih5 s TYR 141 CO 0.16 -3.25 0.69 -0.65 -1.11 0.00 0.00 175.55 171.39 3ih5 s GLN 142 N 6.18 3.18 -0.14 -0.62 -0.21 -0.52 -2.64 119.66 124.89 3ih5 s GLN 142 Ca 0.87 -1.68 -0.08 0.00 0.02 0.00 0.00 55.36 54.48 3ih5 s GLN 142 Cb -0.25 -4.36 -0.04 0.00 1.00 0.00 0.00 33.01 29.36 3ih5 s GLN 142 CO 0.33 -1.45 0.16 0.42 -2.12 0.00 0.00 175.29 172.62 3ih5 s ILE 143 N 1.90 5.45 -0.10 1.08 1.01 -0.76 -0.84 121.20 128.94 3ih5 s ILE 143 Ca 0.12 0.25 -0.33 0.00 0.00 0.00 0.00 60.65 60.69 3ih5 s ILE 143 Cb -0.22 -3.44 0.12 0.00 0.01 0.00 0.00 42.46 38.94 3ih5 s ILE 143 CO 0.01 0.56 1.16 0.00 0.00 0.00 0.00 174.94 176.67 3ih5 s ARG 144 N -0.63 0.47 0.35 2.79 1.70 -0.89 -0.44 118.95 122.30 3ih5 s ARG 144 Ca 0.14 -0.20 -0.28 0.00 -0.47 0.00 0.00 55.73 54.91 3ih5 s ARG 144 Cb -0.12 0.20 -0.11 0.00 -0.57 0.00 0.00 34.95 34.35 3ih5 s ARG 144 CO 0.03 -0.21 1.39 -2.14 -1.08 0.00 0.00 175.30 173.29 3ih5 s PRO 145 N -2.59 4.24 0.20 3.89 0.02 -1.26 -1.56 135.00 137.94 3ih5 s PRO 145 Ca 0.10 2.38 -0.11 0.00 0.02 0.00 0.00 61.00 63.38 3ih5 s PRO 145 Cb 0.00 -3.03 0.14 0.00 0.02 0.00 0.00 34.50 31.63 3ih5 s PRO 145 CO -0.05 -0.35 1.87 0.00 -0.33 0.00 0.00 177.00 178.14 3ih5 h ALA 146 N 3.24 0.89 -3.00 -1.55 0.00 -1.00 -3.46 119.26 114.38 3ih5 h ALA 146 Ca -0.50 -0.05 -0.00 0.00 0.00 0.00 0.00 54.91 54.36 3ih5 h ALA 146 Cb 1.23 -0.28 -0.01 0.00 0.00 0.00 0.00 17.79 18.74 3ih5 h ALA 146 CO 0.65 0.30 0.26 -0.59 0.00 0.00 0.00 179.25 179.87 3ih5 s PHE 147 N -6.14 0.07 0.00 0.00 -0.12 -1.26 -5.09 117.98 105.44 3ih5 s PHE 147 Ca -0.13 -0.71 0.00 0.00 -0.05 0.00 0.00 56.93 56.04 3ih5 s PHE 147 Cb 0.14 0.81 0.00 0.00 -0.63 0.00 0.00 43.02 43.35 3ih5 s PHE 147 CO 0.77 -1.51 0.00 0.41 -0.05 0.00 0.00 175.22 174.84 3ih5 n GLY 148 N -0.52 2.48 0.00 1.99 0.00 -1.26 -4.37 105.19 103.51 3ih5 n GLY 148 Ca -0.08 0.33 0.00 0.00 0.00 0.00 0.00 46.02 46.27 3ih5 n GLY 148 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3ih5 n GLY 149 N 0.00 0.00 0.09 -0.02 0.00 -1.26 -4.90 105.19 99.10 3ih5 n GLY 149 Ca 0.00 0.00 -0.03 0.00 0.00 0.00 0.00 46.02 45.99 3ih5 n GLY 149 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 3ih5 n ASN 150 N -0.22 0.83 -4.57 1.61 5.03 -1.26 -4.79 115.26 111.89 3ih5 n ASN 150 Ca 0.00 0.38 -0.41 0.00 0.87 0.00 0.00 54.58 55.42 3ih5 n ASN 150 Cb 0.00 0.12 -0.08 0.00 -1.02 0.00 0.00 39.78 38.80 3ih5 n ASN 150 CO 0.00 0.00 0.00 -0.63 -1.83 0.00 0.00 177.26 174.80 3ih5 s ILE 151 N -2.81 5.05 -0.06 2.41 1.01 -1.26 -5.05 121.20 120.50 3ih5 s ILE 151 Ca -0.04 0.46 0.04 0.00 0.00 0.00 0.00 60.65 61.12 3ih5 s ILE 151 Cb 0.08 -3.90 -0.00 0.00 0.01 0.00 0.00 42.46 38.65 3ih5 s ILE 151 CO 0.82 -0.11 -0.20 -0.69 0.00 0.00 0.00 174.94 174.76 3ih5 s VAL 152 N 2.32 1.65 0.23 2.92 1.01 -1.26 -0.28 120.40 126.99 3ih5 s VAL 152 Ca 0.18 -0.83 0.02 0.00 0.00 0.00 0.00 61.98 61.36 3ih5 s VAL 152 Cb -0.16 -1.42 -0.05 0.00 0.00 0.00 0.00 36.38 34.75 3ih5 s VAL 152 CO 0.12 0.47 0.05 0.00 0.00 0.00 0.00 175.10 175.74 3ih5 s ALA 153 N 0.11 1.65 -0.15 5.51 0.00 -0.60 -4.91 121.76 123.36 3ih5 s ALA 153 Ca -0.07 -1.78 -0.02 0.00 0.00 0.00 0.00 51.96 50.09 3ih5 s ALA 153 Cb -0.14 0.81 -0.02 0.00 0.00 0.00 0.00 23.12 23.78 3ih5 s ALA 153 CO 0.04 -0.39 -0.08 0.95 0.00 0.00 0.00 175.76 176.28 3ih5 s THR 154 N -3.67 3.47 0.03 0.00 -4.23 -1.26 -2.09 115.64 107.88 3ih5 s THR 154 Ca 0.32 -0.51 -0.09 0.00 -1.18 0.00 0.00 61.69 60.24 3ih5 s THR 154 Cb 0.07 -2.50 -0.05 0.00 1.34 0.00 0.00 72.50 71.36 3ih5 s THR 154 CO 0.10 0.50 0.33 -0.63 -0.54 0.00 0.00 174.62 174.39 3ih5 s ILE 155 N 0.43 5.20 0.06 2.99 -1.09 -0.02 -4.91 121.20 123.85 3ih5 s ILE 155 Ca -0.07 0.37 0.02 0.00 -2.23 0.00 0.00 60.65 58.74 3ih5 s ILE 155 Cb -0.15 -3.61 -0.03 0.00 -1.58 0.00 0.00 42.46 37.09 3ih5 s ILE 155 CO 0.04 0.38 -0.07 0.68 -1.23 0.00 0.00 174.94 174.74 3ih5 s VAL 156 N -1.30 0.54 -0.40 2.92 -7.23 -1.26 -1.44 120.40 112.23 3ih5 s VAL 156 Ca 0.29 -1.43 0.04 0.00 -1.81 0.00 0.00 61.98 59.06 3ih5 s VAL 156 Cb -0.14 -1.04 0.11 0.00 0.56 0.00 0.00 36.38 35.87 3ih5 s VAL 156 CO 0.16 -0.62 0.12 0.20 -0.31 0.00 0.00 175.10 174.65 3ih5 s ASN 157 N -2.20 4.64 0.48 4.85 0.01 -1.26 -5.00 114.94 116.46 3ih5 s ASN 157 Ca -0.01 -2.42 0.25 0.00 -0.71 0.00 0.00 52.86 49.97 3ih5 s ASN 157 Cb -0.03 -1.64 1.20 0.00 0.41 0.00 0.00 41.25 41.20 3ih5 s ASN 157 CO -0.02 -0.34 1.96 -0.65 -1.51 0.00 0.00 177.10 176.54 3ih5 h PRO 158 N 7.27 0.00 0.00 -0.60 0.11 -1.99 -3.37 132.00 133.43 3ih5 h PRO 158 Ca -0.05 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.06 3ih5 h PRO 158 Cb 0.98 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.09 3ih5 h PRO 158 CO 0.58 0.18 -0.73 0.39 -0.21 0.00 0.00 178.00 178.21 3ih5 n GLU 159 N -3.56 1.69 -2.34 1.05 1.02 -1.26 -5.01 120.64 112.23 3ih5 n GLU 159 Ca -0.01 0.00 -0.41 0.00 -0.02 0.00 0.00 57.16 56.72 3ih5 n GLU 159 Cb 0.32 -0.86 -0.03 0.00 -0.02 0.00 0.00 31.44 30.85 3ih5 n GLU 159 CO 0.00 0.00 0.00 -1.01 1.18 0.00 0.00 177.13 177.30 3ih5 s HIS 160 N -1.73 3.38 0.00 -0.32 3.76 -1.26 -5.04 115.29 114.09 3ih5 s HIS 160 Ca 0.00 1.40 0.03 0.00 -0.15 0.00 0.00 55.06 56.34 3ih5 s HIS 160 Cb 0.00 -3.47 -0.01 0.00 1.11 0.00 0.00 32.58 30.21 3ih5 s HIS 160 CO 0.00 -1.33 -0.08 1.03 -0.85 0.00 0.00 174.74 173.51 3ih5 s ARG 161 N -0.37 0.64 0.56 1.40 1.81 -1.26 -3.83 118.95 117.90 3ih5 s ARG 161 Ca 0.53 -0.36 -0.16 0.00 -1.72 0.00 0.00 55.73 54.01 3ih5 s ARG 161 Cb -0.34 -0.60 -0.05 0.00 -0.45 0.00 0.00 34.95 33.51 3ih5 s ARG 161 CO 0.38 0.16 1.03 -2.14 -0.68 0.00 0.00 175.30 174.05 3ih5 s PRO 162 N -0.40 3.57 0.88 3.54 0.02 -1.26 -4.80 135.00 136.56 3ih5 s PRO 162 Ca 0.02 1.12 -0.12 0.00 0.02 0.00 0.00 61.00 62.04 3ih5 s PRO 162 Cb -0.04 -2.07 0.12 0.00 0.02 0.00 0.00 34.50 32.53 3ih5 s PRO 162 CO -0.00 -0.59 1.13 -0.65 -0.33 0.00 0.00 177.00 176.56 3ih5 s GLN 163 N -4.03 1.40 0.00 5.54 -0.21 -0.38 -4.76 119.66 117.22 3ih5 s GLN 163 Ca 0.62 0.35 0.00 0.00 0.02 0.00 0.00 55.36 56.36 3ih5 s GLN 163 Cb -0.14 -1.86 0.00 0.00 1.00 0.00 0.00 33.01 32.01 3ih5 s GLN 163 CO 0.34 -2.03 0.00 0.00 -2.12 0.00 0.00 175.29 171.48 3ih5 n ALA 165 N -3.66 0.00 -2.44 6.09 0.00 -1.06 -1.79 120.51 117.65 3ih5 n ALA 165 Ca 0.07 0.00 -0.24 0.00 0.00 0.00 0.00 53.44 53.27 3ih5 n ALA 165 Cb 0.59 0.00 -0.11 0.00 0.00 0.00 0.00 19.45 19.93 3ih5 n ALA 165 CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 177.50 178.45 3ih5 s THR 166 N -2.00 2.12 0.01 0.00 -4.23 -0.89 -4.40 115.64 106.24 3ih5 s THR 166 Ca 0.00 -2.08 0.02 0.00 -1.18 0.00 0.00 61.69 58.45 3ih5 s THR 166 Cb 0.00 -2.04 -0.01 0.00 1.34 0.00 0.00 72.50 71.79 3ih5 s THR 166 CO 0.00 -0.29 -0.06 -0.69 -0.54 0.00 0.00 174.62 173.04 3ih5 s VAL 167 N -2.08 0.49 0.50 2.29 1.01 -1.26 -0.84 120.40 120.51 3ih5 s VAL 167 Ca 0.21 -0.45 -0.21 0.00 0.00 0.00 0.00 61.98 61.53 3ih5 s VAL 167 Cb -0.06 -0.45 -0.07 0.00 0.00 0.00 0.00 36.38 35.80 3ih5 s VAL 167 CO 0.09 0.01 1.12 -0.13 0.00 0.00 0.00 175.10 176.19 3ih5 s ARG 168 N -0.48 3.58 0.21 2.72 1.81 -1.26 0.12 118.95 125.64 3ih5 s ARG 168 Ca -0.01 1.61 -0.32 0.00 -1.72 0.00 0.00 55.73 55.30 3ih5 s ARG 168 Cb -0.04 -2.16 -0.15 0.00 -0.45 0.00 0.00 34.95 32.15 3ih5 s ARG 168 CO -0.00 -0.66 1.17 -1.91 -0.68 0.00 0.00 175.30 173.22 3ih5 n GLU 169 N -0.96 1.34 -0.19 3.54 2.13 -1.26 -2.66 120.64 122.58 3ih5 n GLU 169 Ca 0.10 0.48 0.00 0.00 0.66 0.00 0.00 57.16 58.39 3ih5 n GLU 169 Cb 0.50 -1.98 0.00 0.00 0.27 0.00 0.00 31.44 30.24 3ih5 n GLU 169 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 3ih5 n GLY 170 N 1.90 1.54 0.00 8.31 0.00 -1.26 -5.10 105.19 110.58 3ih5 n GLY 170 Ca 0.13 0.00 0.03 0.00 0.00 0.00 0.00 46.02 46.18 3ih5 n GLY 170 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 3ih5 n VAL 171 N -2.00 0.00 -4.29 1.61 0.31 -1.09 -5.12 118.33 107.75 3ih5 n VAL 171 Ca 0.00 0.00 -0.23 0.00 -0.01 0.00 0.00 64.34 64.10 3ih5 n VAL 171 Cb 0.00 -0.47 -0.12 0.00 -0.91 0.00 0.00 33.84 32.34 3ih5 n VAL 171 CO 0.00 0.00 0.00 -1.59 -1.32 0.00 0.00 176.83 173.92 3ih5 s LYS 173 N -2.00 1.15 -0.06 5.55 -2.85 -1.26 -5.10 119.74 115.17 3ih5 s LYS 173 Ca 0.09 -1.21 0.02 0.00 -1.00 0.00 0.00 55.97 53.86 3ih5 s LYS 173 Cb 0.04 -1.36 -0.03 0.00 -2.06 0.00 0.00 37.83 34.42 3ih5 s LYS 173 CO 0.07 0.31 -0.11 -1.59 0.10 0.00 0.00 175.35 174.13 3ih5 s LYS 174 N -2.11 2.65 -0.30 1.78 -2.85 -1.26 -4.58 119.74 113.07 3ih5 s LYS 174 Ca 0.08 -0.62 -0.12 0.00 -1.00 0.00 0.00 55.97 54.31 3ih5 s LYS 174 Cb -0.09 -2.49 0.17 0.00 -2.06 0.00 0.00 37.83 33.36 3ih5 s LYS 174 CO 0.05 0.63 0.91 -2.00 0.10 0.00 0.00 175.35 175.04 3ih5 s GLU 175 N -0.74 0.34 0.81 1.78 2.12 -1.26 -5.02 118.70 116.73 3ih5 s GLU 175 Ca 0.11 0.75 -0.10 0.00 0.36 0.00 0.00 54.97 56.09 3ih5 s GLU 175 Cb -0.11 0.44 0.08 0.00 0.26 0.00 0.00 34.13 34.80 3ih5 s GLU 175 CO 0.01 -0.22 1.10 0.96 -0.54 0.00 0.00 175.26 176.58 3ih5 s ILE 176 N 2.69 3.02 -0.16 -3.70 -4.36 -1.26 -4.80 121.20 112.63 3ih5 s ILE 176 Ca 0.01 0.33 -0.23 0.00 -0.26 0.00 0.00 60.65 60.50 3ih5 s ILE 176 Cb -0.09 -2.71 -0.24 0.00 1.25 0.00 0.00 42.46 40.67 3ih5 s ILE 176 CO -0.17 -0.43 0.51 0.58 0.24 0.00 0.00 174.94 175.67 3ih5 h VAL 177 N -1.31 1.28 -1.44 8.37 2.07 -0.89 -3.48 116.25 120.85 3ih5 h VAL 177 Ca -0.44 -2.30 0.10 0.00 0.82 0.00 0.00 66.70 64.89 3ih5 h VAL 177 Cb 1.24 2.78 -0.28 0.00 -1.52 0.00 0.00 31.29 33.51 3ih5 h VAL 177 CO 0.49 0.51 0.57 -0.55 0.02 0.00 0.00 177.57 178.62 3ih5 s SER 178 N -6.66 -0.34 0.34 0.57 0.15 -1.09 -5.01 113.70 101.66 3ih5 s SER 178 Ca -0.23 0.64 0.25 0.00 0.70 0.00 0.00 55.95 57.32 3ih5 s SER 178 Cb 0.02 0.69 1.21 0.00 -1.71 0.00 0.00 66.02 66.23 3ih5 s SER 178 CO 0.67 -0.11 1.77 -0.65 1.20 0.00 0.00 173.24 176.12 3ih5 h PRO 179 N 4.04 0.00 -0.73 5.44 0.11 -1.96 -2.18 132.00 136.73 3ih5 h PRO 179 Ca -0.28 0.00 -0.51 0.00 0.11 0.00 0.00 66.00 65.32 3ih5 h PRO 179 Cb 1.18 0.00 -0.34 0.00 0.11 0.00 0.00 31.00 31.95 3ih5 h PRO 179 CO 0.13 0.00 -0.33 0.00 -0.21 0.00 0.00 178.00 177.60 3ih5 n ALA 180 N -1.83 5.18 -2.50 -0.75 0.00 -1.26 -4.83 120.51 114.52 3ih5 n ALA 180 Ca 0.00 -3.62 -0.42 0.00 0.00 0.00 0.00 53.44 49.40 3ih5 n ALA 180 Cb 0.15 -0.71 -0.03 0.00 0.00 0.00 0.00 19.45 18.86 3ih5 n ALA 180 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 177.50 177.03 3ih5 s TYR 181 N -3.59 3.57 -0.01 0.00 6.14 -0.82 -5.05 117.35 117.59 3ih5 s TYR 181 Ca 0.53 1.53 -0.00 0.00 0.64 0.00 0.00 57.07 59.77 3ih5 s TYR 181 Cb 0.43 -3.25 -0.04 0.00 0.42 0.00 0.00 41.96 39.52 3ih5 s TYR 181 CO 0.02 -0.57 0.06 -0.65 0.64 0.00 0.00 175.55 175.05 3ih5 s GLN 182 N 0.84 3.02 -0.16 4.97 -1.52 -1.26 -4.63 119.66 120.92 3ih5 s GLN 182 Ca 0.54 -0.50 -0.30 0.00 -1.95 0.00 0.00 55.36 53.15 3ih5 s GLN 182 Cb -0.25 -2.83 0.13 0.00 -0.22 0.00 0.00 33.01 29.84 3ih5 s GLN 182 CO 0.29 0.65 1.02 0.20 -0.25 0.00 0.00 175.29 177.20 3ih5 s GLY 183 N -1.65 -0.26 0.38 3.09 0.00 -1.26 -4.80 107.32 102.82 3ih5 s GLY 183 Ca 0.22 2.02 -0.28 0.00 0.00 0.00 0.00 44.72 46.68 3ih5 s GLY 183 CO 0.12 0.99 1.46 1.18 0.00 0.00 0.00 173.10 176.85 3ih5 n GLU 184 N 0.65 2.57 -3.92 2.90 1.02 -0.37 -4.84 120.64 118.65 3ih5 n GLU 184 Ca -0.09 0.90 -0.30 0.00 -0.02 0.00 0.00 57.16 57.64 3ih5 n GLU 184 Cb 0.58 -2.62 -0.15 0.00 -0.02 0.00 0.00 31.44 29.23 3ih5 n GLU 184 CO 0.00 0.00 0.00 0.08 1.18 0.00 0.00 177.13 178.39 3ih5 s VAL 185 N -1.12 1.91 -0.14 2.62 1.01 -1.26 -0.46 120.40 122.95 3ih5 s VAL 185 Ca 0.54 -2.25 -0.21 0.00 0.00 0.00 0.00 61.98 60.06 3ih5 s VAL 185 Cb -0.48 -2.40 -0.03 0.00 0.00 0.00 0.00 36.38 33.46 3ih5 s VAL 185 CO 0.63 -0.66 0.61 -0.63 0.00 0.00 0.00 175.10 175.04 3ih5 s ILE 186 N 0.89 5.07 -0.67 2.22 1.09 -0.41 -4.98 121.20 124.41 3ih5 s ILE 186 Ca 0.12 1.19 -0.12 0.00 -1.10 0.00 0.00 60.65 60.74 3ih5 s ILE 186 Cb -0.20 -3.94 0.17 0.00 -1.06 0.00 0.00 42.46 37.44 3ih5 s ILE 186 CO -0.11 0.20 0.58 -0.13 -0.10 0.00 0.00 174.94 175.38 3ih5 s ARG 187 N 1.29 3.09 0.75 2.79 0.52 -1.26 -0.54 118.95 125.59 3ih5 s ARG 187 Ca 0.30 -2.19 -0.11 0.00 -0.52 0.00 0.00 55.73 53.21 3ih5 s ARG 187 Cb -0.16 -4.19 0.05 0.00 0.52 0.00 0.00 34.95 31.16 3ih5 s ARG 187 CO 0.12 -1.26 1.10 -1.01 0.02 0.00 0.00 175.30 174.27 3ih5 s HIS 188 N 0.65 2.57 -0.36 -0.53 3.76 -0.55 -4.96 115.29 115.87 3ih5 s HIS 188 Ca 0.12 1.56 -0.29 0.00 -0.15 0.00 0.00 55.06 56.30 3ih5 s HIS 188 Cb -0.19 -3.08 0.01 0.00 1.11 0.00 0.00 32.58 30.44 3ih5 s HIS 188 CO -0.04 -1.80 1.23 0.34 -0.85 0.00 0.00 174.74 173.63 3ih5 s ASP 189 N -3.22 6.67 0.01 1.40 2.15 -1.26 -4.73 116.67 117.69 3ih5 s ASP 189 Ca 0.62 0.95 -0.25 0.00 0.43 0.00 0.00 52.55 54.30 3ih5 s ASP 189 Cb -0.18 -2.54 -0.14 0.00 -0.30 0.00 0.00 42.92 39.76 3ih5 s ASP 189 CO 0.53 -1.13 1.10 0.58 -0.17 0.00 0.00 175.17 176.09 3ih5 h VAL 190 N 6.05 0.00 -0.99 1.11 2.07 -1.93 -3.29 116.25 119.27 3ih5 h VAL 190 Ca -0.24 -0.26 0.35 0.00 0.82 0.00 0.00 66.70 67.37 3ih5 h VAL 190 Cb 1.08 0.00 -0.17 0.00 -1.52 0.00 0.00 31.29 30.68 3ih5 h VAL 190 CO 1.06 0.00 0.41 0.50 0.02 0.00 0.00 177.57 179.56 3ih5 h LYS 191 N -1.18 0.08 0.00 1.57 3.64 -1.98 0.70 116.57 119.40 3ih5 h LYS 191 Ca -0.09 -0.00 -0.02 0.00 -1.27 0.00 0.00 60.65 59.26 3ih5 h LYS 191 Cb 0.70 -0.02 -0.00 0.00 -0.41 0.00 0.00 32.23 32.50 3ih5 h LYS 191 CO 0.15 0.05 -0.10 -0.22 -2.27 0.00 0.00 179.45 177.06 3ih5 h LYS 192 N 0.08 0.00 0.00 1.90 3.64 -1.99 0.96 116.57 121.16 3ih5 h LYS 192 Ca 0.75 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 60.13 3ih5 h LYS 192 Cb 1.82 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 33.64 3ih5 h LYS 192 CO -0.76 0.10 -0.69 0.66 -2.27 0.00 0.00 179.45 176.49 3ih5 n TYR 193 N -3.46 0.15 -0.00 1.91 4.02 0.24 -4.45 117.16 115.57 3ih5 n TYR 193 Ca -0.01 0.04 0.00 0.00 -0.01 0.00 0.00 57.90 57.92 3ih5 n TYR 193 Cb 0.26 -0.34 -0.01 0.00 -0.02 0.00 0.00 39.34 39.23 3ih5 n TYR 193 CO 0.00 0.00 0.00 1.33 -1.01 0.00 0.00 176.86 177.18 3ih5 n VAL 194 N -1.71 0.03 0.38 -0.72 0.24 -0.94 -3.77 118.33 111.85 3ih5 n VAL 194 Ca 0.04 -0.03 0.08 0.00 -2.04 0.00 0.00 64.34 62.39 3ih5 n VAL 194 Cb 0.37 -0.25 0.35 0.00 -1.47 0.00 0.00 33.84 32.84 3ih5 n VAL 194 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 3ih5 n ALA 195 N -1.79 1.54 0.01 2.33 0.00 0.29 -2.48 120.51 120.41 3ih5 n ALA 195 Ca -0.01 0.02 -0.11 0.00 0.00 0.00 0.00 53.44 53.34 3ih5 n ALA 195 Cb 0.28 -1.26 -0.04 0.00 0.00 0.00 0.00 19.45 18.43 3ih5 n ALA 195 CO 0.00 0.00 0.00 0.38 0.00 0.00 0.00 177.50 177.88 3ih5 h ASP 196 N 0.00 -0.98 -3.10 0.00 2.03 -1.82 -3.44 116.42 109.11 3ih5 h ASP 196 Ca 0.00 0.14 -0.57 0.00 -0.73 0.00 0.00 57.03 55.88 3ih5 h ASP 196 Cb 0.24 0.41 0.10 0.00 -0.83 0.00 0.00 39.33 39.25 3ih5 h ASP 196 CO 0.00 -0.36 0.63 0.35 -1.03 0.00 0.00 179.24 178.83 3ih5 n THR 197 N -5.41 1.43 -3.44 1.15 -2.24 -1.04 -4.93 114.28 99.80 3ih5 n THR 197 Ca -0.03 -0.36 -0.43 0.00 -2.27 0.00 0.00 64.05 60.96 3ih5 n THR 197 Cb 0.32 -1.63 -0.06 0.00 -2.10 0.00 0.00 70.33 66.87 3ih5 n THR 197 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 3ih5 s ASP 198 N 0.07 6.10 -0.35 3.42 3.68 -1.26 -4.98 116.67 123.35 3ih5 s ASP 198 Ca 0.62 -2.26 0.03 0.00 2.13 0.00 0.00 52.55 53.06 3ih5 s ASP 198 Cb -0.58 -2.10 0.15 0.00 -1.45 0.00 0.00 42.92 38.94 3ih5 s ASP 198 CO 0.55 -0.65 0.38 -0.47 0.13 0.00 0.00 175.17 175.11 3ih5 s TYR 199 N 0.84 -0.49 -0.03 -5.34 5.04 -1.26 -5.14 117.35 110.97 3ih5 s TYR 199 Ca 0.10 -0.52 0.01 0.00 -2.44 0.00 0.00 57.07 54.23 3ih5 s TYR 199 Cb -0.21 -0.35 -0.03 0.00 0.35 0.00 0.00 41.96 41.72 3ih5 s TYR 199 CO -0.03 -0.98 -0.03 0.14 -1.34 0.00 0.00 175.55 173.31 3ih5 s VAL 200 N 1.75 3.95 -0.23 3.14 -7.23 -1.26 -5.10 120.40 115.41 3ih5 s VAL 200 Ca 0.15 -0.56 -0.09 0.00 -1.81 0.00 0.00 61.98 59.67 3ih5 s VAL 200 Cb -0.14 -2.70 -0.04 0.00 0.56 0.00 0.00 36.38 34.06 3ih5 s VAL 200 CO -0.12 0.47 0.11 -0.69 -0.31 0.00 0.00 175.10 174.56 3ih5 s VAL 201 N -0.97 4.93 0.04 1.32 1.01 -1.26 -5.10 120.40 120.38 3ih5 s VAL 201 Ca 0.16 0.03 0.05 0.00 0.00 0.00 0.00 61.98 62.22 3ih5 s VAL 201 Cb -0.11 -3.29 -0.04 0.00 0.00 0.00 0.00 36.38 32.95 3ih5 s VAL 201 CO 0.06 0.36 -0.07 -0.54 0.00 0.00 0.00 175.10 174.92 3ih5 s LYS 202 N 1.08 2.43 -0.49 2.72 1.02 -1.26 -5.09 119.74 120.16 3ih5 s LYS 202 Ca 0.06 -0.82 -0.12 0.00 0.02 0.00 0.00 55.97 55.11 3ih5 s LYS 202 Cb -0.14 -2.45 0.11 0.00 -0.52 0.00 0.00 37.83 34.84 3ih5 s LYS 202 CO 0.04 0.57 0.39 0.14 -0.92 0.00 0.00 175.35 175.57 3ih5 s VAL 203 N -1.09 4.61 -0.31 3.17 -7.23 -1.26 -5.37 120.40 112.92 3ih5 s VAL 203 Ca 0.19 -1.60 0.02 0.00 -1.81 0.00 0.00 61.98 58.79 3ih5 s VAL 203 Cb -0.11 -3.96 0.02 0.00 0.56 0.00 0.00 36.38 32.89 3ih5 s VAL 203 CO 0.10 -0.76 0.58 -0.38 -0.31 0.00 0.00 175.10 174.33