#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3i6b s SER 7 N 0.00 0.22 -0.00 0.00 1.04 -1.26 -1.35 113.70 112.35 3i6b s SER 7 Ca 0.00 -0.76 0.00 0.00 0.48 0.00 0.00 55.95 55.67 3i6b s SER 7 Cb 0.00 0.31 0.00 0.00 0.10 0.00 0.00 66.02 66.43 3i6b s SER 7 CO 0.00 -0.70 -0.01 -0.22 0.98 0.00 0.00 173.24 173.29 3i6b s LEU 8 N -2.88 1.87 0.17 2.42 0.20 0.51 -4.88 118.68 116.09 3i6b s LEU 8 Ca 0.06 -0.02 -0.30 0.00 0.69 0.00 0.00 54.13 54.56 3i6b s LEU 8 Cb 0.06 -0.08 -0.08 0.00 -0.43 0.00 0.00 46.19 45.66 3i6b s LEU 8 CO -0.10 -0.00 1.28 0.00 -0.29 0.00 0.00 176.35 177.23 3i6b s ALA 9 N 0.13 3.50 0.36 5.97 0.00 -1.26 -0.62 121.76 129.84 3i6b s ALA 9 Ca -0.01 1.04 0.05 0.00 0.00 0.00 0.00 51.96 53.04 3i6b s ALA 9 Cb -0.02 -3.47 -0.07 0.00 0.00 0.00 0.00 23.12 19.56 3i6b s ALA 9 CO -0.00 -0.49 0.04 0.95 0.00 0.00 0.00 175.76 176.26 3i6b s THR 10 N 0.27 1.44 -1.05 0.00 -4.23 -1.09 -4.91 115.64 106.06 3i6b s THR 10 Ca 0.57 -2.00 0.17 0.00 -1.18 0.00 0.00 61.69 59.25 3i6b s THR 10 Cb -0.35 -2.82 0.16 0.00 1.34 0.00 0.00 72.50 70.83 3i6b s THR 10 CO 0.36 0.00 1.54 0.00 -0.54 0.00 0.00 174.62 175.98 3i6b n TYR 12 N -1.47 0.00 0.00 0.00 4.02 -1.26 -5.08 117.16 113.36 3i6b n TYR 12 Ca 0.05 0.00 0.00 0.00 -0.01 0.00 0.00 57.90 57.94 3i6b n TYR 12 Cb 0.19 0.00 0.00 0.00 -0.02 0.00 0.00 39.34 39.51 3i6b n TYR 12 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 3i6b n GLY 13 N 1.46 3.54 3.77 2.72 0.00 -0.91 -4.91 105.19 110.86 3i6b n GLY 13 Ca 0.05 -1.77 -0.40 0.00 0.00 0.00 0.00 46.02 43.90 3i6b n GLY 13 CO 0.00 0.00 0.00 -4.14 0.00 0.00 0.00 173.32 169.18 3i6b s PRO 14 N -2.57 4.02 0.16 1.61 0.02 -1.26 -2.67 135.00 134.30 3i6b s PRO 14 Ca 0.00 2.33 0.10 0.00 0.02 0.00 0.00 61.00 63.45 3i6b s PRO 14 Cb 0.00 -2.85 -0.04 0.00 0.02 0.00 0.00 34.50 31.63 3i6b s PRO 14 CO 0.00 -0.51 -0.23 0.14 -0.33 0.00 0.00 177.00 176.07 3i6b s VAL 15 N -1.19 2.07 0.57 3.83 -7.23 0.21 -4.92 120.40 113.75 3i6b s VAL 15 Ca 0.55 -1.85 -0.17 0.00 -1.81 0.00 0.00 61.98 58.70 3i6b s VAL 15 Cb -0.42 -1.92 -0.05 0.00 0.56 0.00 0.00 36.38 34.56 3i6b s VAL 15 CO 0.55 -0.11 1.06 -0.94 -0.31 0.00 0.00 175.10 175.35 3i6b s SER 16 N -2.39 5.84 0.52 4.85 1.04 -1.26 -0.37 113.70 121.92 3i6b s SER 16 Ca 0.15 1.89 0.24 0.00 0.48 0.00 0.00 55.95 58.71 3i6b s SER 16 Cb -0.08 -2.55 1.40 0.00 0.10 0.00 0.00 66.02 64.89 3i6b s SER 16 CO 0.07 -1.13 2.09 0.00 0.98 0.00 0.00 173.24 175.25 3i6b h ALA 17 N 0.71 1.48 -0.37 5.32 0.00 -1.55 -1.73 119.26 123.12 3i6b h ALA 17 Ca -0.48 -0.10 -0.16 0.00 0.00 0.00 0.00 54.91 54.18 3i6b h ALA 17 Cb 1.23 -0.02 -0.01 0.00 0.00 0.00 0.00 17.79 18.99 3i6b h ALA 17 CO 0.57 0.13 -0.38 -0.44 0.00 0.00 0.00 179.25 179.14 3i6b h ASP 18 N 0.00 0.98 -0.21 0.00 3.32 -1.92 -0.01 116.42 118.58 3i6b h ASP 18 Ca -0.00 -0.47 -0.02 0.00 0.02 0.00 0.00 57.03 56.55 3i6b h ASP 18 Cb 0.25 -0.28 -0.01 0.00 0.22 0.00 0.00 39.33 39.51 3i6b h ASP 18 CO 0.01 1.25 0.03 0.58 -1.72 0.00 0.00 179.24 179.39 3i6b h VAL 19 N 0.73 1.23 -0.99 -1.35 2.07 -1.82 -1.94 116.25 114.17 3i6b h VAL 19 Ca 0.06 -0.75 0.04 0.00 0.82 0.00 0.00 66.70 66.87 3i6b h VAL 19 Cb 0.98 1.32 -0.06 0.00 -1.52 0.00 0.00 31.29 32.01 3i6b h VAL 19 CO 0.09 0.23 0.65 -0.03 0.02 0.00 0.00 177.57 178.53 3i6b h MET 20 N 0.14 1.21 -0.53 1.57 1.85 -1.28 -0.68 114.93 117.20 3i6b h MET 20 Ca 0.06 -0.07 -0.05 0.00 -0.61 0.00 0.00 59.70 59.03 3i6b h MET 20 Cb 0.32 -0.27 -0.02 0.00 0.43 0.00 0.00 31.60 32.05 3i6b h MET 20 CO 0.00 0.80 0.12 0.00 -0.40 0.00 0.00 176.91 177.43 3i6b h ALA 21 N 1.43 0.70 -0.68 0.39 0.00 -0.84 -2.24 119.26 118.02 3i6b h ALA 21 Ca 0.39 -0.22 -0.03 0.00 0.00 0.00 0.00 54.91 55.05 3i6b h ALA 21 Cb 0.01 -0.20 -0.03 0.00 0.00 0.00 0.00 17.79 17.56 3i6b h ALA 21 CO -0.12 0.41 0.29 0.87 0.00 0.00 0.00 179.25 180.70 3i6b h LYS 22 N 0.75 1.01 0.00 0.00 1.57 -0.90 -3.04 116.57 115.96 3i6b h LYS 22 Ca 0.17 -0.17 -0.05 0.00 -1.87 0.00 0.00 60.65 58.73 3i6b h LYS 22 Cb 0.35 -0.17 -0.01 0.00 0.08 0.00 0.00 32.23 32.49 3i6b h LYS 22 CO 0.00 0.82 -0.24 0.00 -0.57 0.00 0.00 179.45 179.47 3i6b h ALA 23 N 1.13 1.36 -0.08 3.86 0.00 -0.86 -2.96 119.26 121.72 3i6b h ALA 23 Ca 0.23 -0.22 -0.02 0.00 0.00 0.00 0.00 54.91 54.90 3i6b h ALA 23 Cb 0.17 -0.04 -0.01 0.00 0.00 0.00 0.00 17.79 17.92 3i6b h ALA 23 CO -0.02 0.30 -0.05 0.93 0.00 0.00 0.00 179.25 180.40 3i6b h GLU 24 N 0.00 0.12 -0.38 0.00 5.08 -1.28 -2.99 114.58 115.13 3i6b h GLU 24 Ca -0.00 -0.02 0.00 0.00 -1.00 0.00 0.00 59.36 58.34 3i6b h GLU 24 Cb 0.50 -0.02 0.00 0.00 0.50 0.00 0.00 28.75 29.73 3i6b h GLU 24 CO 0.03 0.18 0.00 0.09 -1.00 0.00 0.00 179.01 178.31 3i6b n ASN 25 N -4.41 2.89 -4.67 1.42 3.02 -1.12 -4.83 115.26 107.57 3i6b n ASN 25 Ca -0.02 -1.92 -0.43 0.00 -0.03 0.00 0.00 54.58 52.18 3i6b n ASN 25 Cb 0.17 -0.25 -0.02 0.00 -0.61 0.00 0.00 39.78 39.07 3i6b n ASN 25 CO 0.00 0.00 0.00 -0.63 -2.62 0.00 0.00 177.26 174.01 3i6b s ILE 26 N -1.50 4.66 -0.26 2.41 -1.09 -1.13 -4.33 121.20 119.96 3i6b s ILE 26 Ca 0.37 1.98 0.08 0.00 -2.23 0.00 0.00 60.65 60.85 3i6b s ILE 26 Cb 0.21 -4.27 -0.10 0.00 -1.58 0.00 0.00 42.46 36.71 3i6b s ILE 26 CO 0.29 -0.11 0.28 0.54 -1.23 0.00 0.00 174.94 174.71 3i6b n ARG 27 N 5.85 3.13 -3.72 2.79 5.12 0.52 -4.84 116.66 125.51 3i6b n ARG 27 Ca 0.11 -0.02 -0.15 0.00 -1.93 0.00 0.00 57.85 55.86 3i6b n ARG 27 Cb 0.47 -0.97 -0.15 0.00 -1.16 0.00 0.00 32.46 30.65 3i6b n ARG 27 CO 0.00 0.00 0.00 -1.17 -1.93 0.00 0.00 177.63 174.53 3i6b s LEU 28 N -2.74 0.46 -0.24 0.55 2.96 -1.02 -0.46 118.68 118.19 3i6b s LEU 28 Ca 0.01 0.31 -0.05 0.00 -0.22 0.00 0.00 54.13 54.18 3i6b s LEU 28 Cb 0.06 0.32 -0.01 0.00 0.50 0.00 0.00 46.19 47.06 3i6b s LEU 28 CO 0.33 -0.18 -0.01 -0.22 -1.32 0.00 0.00 176.35 174.94 3i6b s LEU 29 N 1.55 3.11 -0.17 -0.68 2.96 0.26 -0.75 118.68 124.96 3i6b s LEU 29 Ca -0.05 -0.42 -0.07 0.00 -0.22 0.00 0.00 54.13 53.37 3i6b s LEU 29 Cb -0.12 -1.78 -0.04 0.00 0.50 0.00 0.00 46.19 44.75 3i6b s LEU 29 CO -0.06 -0.05 0.08 -0.63 -1.32 0.00 0.00 176.35 174.38 3i6b s ILE 30 N 1.50 4.97 -0.03 6.68 1.01 0.45 -0.64 121.20 135.13 3i6b s ILE 30 Ca 0.05 0.02 0.06 0.00 0.00 0.00 0.00 60.65 60.79 3i6b s ILE 30 Cb -0.15 -3.22 -0.01 0.00 0.01 0.00 0.00 42.46 39.09 3i6b s ILE 30 CO -0.02 0.50 -0.22 -0.76 0.00 0.00 0.00 174.94 174.44 3i6b s LEU 31 N 0.02 2.02 0.64 2.97 1.43 -0.02 -1.43 118.68 124.31 3i6b s LEU 31 Ca 0.07 -0.42 -0.14 0.00 -1.03 0.00 0.00 54.13 52.61 3i6b s LEU 31 Cb -0.12 -1.17 -0.01 0.00 0.03 0.00 0.00 46.19 44.92 3i6b s LEU 31 CO 0.00 0.25 1.07 -1.81 0.23 0.00 0.00 176.35 176.09 3i6b s ASP 32 N -0.34 5.52 -0.08 2.29 1.11 -1.12 -3.34 116.67 120.72 3i6b s ASP 32 Ca 0.04 1.78 -0.03 0.00 0.18 0.00 0.00 52.55 54.51 3i6b s ASP 32 Cb -0.10 -2.52 -0.01 0.00 1.07 0.00 0.00 42.92 41.35 3i6b s ASP 32 CO 0.01 -1.35 -0.06 0.58 1.18 0.00 0.00 175.17 175.53 3i6b h VAL 33 N -0.02 0.00 -2.97 -1.27 2.07 -1.93 -3.05 116.25 109.08 3i6b h VAL 33 Ca -0.46 -0.67 -0.57 0.00 0.82 0.00 0.00 66.70 65.83 3i6b h VAL 33 Cb 1.22 0.00 -0.04 0.00 -1.52 0.00 0.00 31.29 30.95 3i6b h VAL 33 CO 0.56 0.00 0.94 -1.81 0.02 0.00 0.00 177.57 177.29 3i6b s ASP 34 N -4.84 6.82 0.00 0.57 1.01 -1.26 -0.66 116.67 118.31 3i6b s ASP 34 Ca -0.05 1.54 0.00 0.00 0.71 0.00 0.00 52.55 54.76 3i6b s ASP 34 Cb 0.01 -2.54 0.00 0.00 1.01 0.00 0.00 42.92 41.40 3i6b s ASP 34 CO 0.07 -0.90 0.00 0.61 0.21 0.00 0.00 175.17 175.16 3i6b n GLY 35 N 3.91 1.71 0.49 0.21 0.00 -1.10 -4.76 105.19 105.65 3i6b n GLY 35 Ca 0.15 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.17 3i6b n GLY 35 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 3i6b n VAL 36 N -2.00 0.00 0.08 1.61 0.31 -1.14 -4.00 118.33 113.19 3i6b n VAL 36 Ca 0.00 0.11 -0.03 0.00 -0.01 0.00 0.00 64.34 64.41 3i6b n VAL 36 Cb 0.00 -1.01 0.19 0.00 -0.91 0.00 0.00 33.84 32.10 3i6b n VAL 36 CO 0.00 0.00 0.00 -0.07 -1.32 0.00 0.00 176.83 175.44 3i6b h LEU 37 N 0.00 0.28-10.13 7.52 3.38 -1.24 -0.42 115.31 114.71 3i6b h LEU 37 Ca 0.00 -0.13 -0.48 0.00 0.09 0.00 0.00 57.88 57.36 3i6b h LEU 37 Cb 0.00 -0.08 -0.03 0.00 0.09 0.00 0.00 40.66 40.64 3i6b h LEU 37 CO 0.00 0.71 -0.41 -0.94 0.09 0.00 0.00 178.44 177.89 3i6b s SER 38 N -6.88 5.35 0.00 -0.43 1.04 0.17 -4.07 113.70 108.88 3i6b s SER 38 Ca -0.05 -0.50 0.21 0.00 0.48 0.00 0.00 55.95 56.09 3i6b s SER 38 Cb 0.13 -0.91 1.25 0.00 0.10 0.00 0.00 66.02 66.60 3i6b s SER 38 CO 0.78 -0.45 1.64 -0.90 0.98 0.00 0.00 173.24 175.29 3i6b n ASP 39 N -1.47 0.00 0.00 7.02 3.85 -1.17 -2.72 116.55 122.06 3i6b n ASP 39 Ca 0.00 -0.65 0.00 0.00 -0.71 0.00 0.00 54.79 53.43 3i6b n ASP 39 Cb 0.60 -0.00 0.00 0.00 -1.35 0.00 0.00 41.12 40.37 3i6b n ASP 39 CO 0.00 0.00 0.00 0.61 -1.01 0.00 0.00 177.20 176.80 3i6b n GLY 40 N 0.31 0.77 3.93 6.12 0.00 -1.26 -4.75 105.19 110.31 3i6b n GLY 40 Ca 0.16 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.93 3i6b n GLY 40 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3i6b s LEU 41 N 0.00 4.24 -0.18 0.99 1.43 -1.26 -4.74 118.68 119.16 3i6b s LEU 41 Ca 0.00 0.08 0.00 0.00 -1.03 0.00 0.00 54.13 53.19 3i6b s LEU 41 Cb 0.00 -2.81 0.04 0.00 0.03 0.00 0.00 46.19 43.45 3i6b s LEU 41 CO 0.00 0.01 -0.10 -0.51 0.23 0.00 0.00 176.35 175.98 3i6b s ILE 42 N -1.84 1.49 -0.31 -0.59 2.07 -1.26 -4.68 121.20 116.08 3i6b s ILE 42 Ca 0.34 -0.83 -0.19 0.00 -1.41 0.00 0.00 60.65 58.55 3i6b s ILE 42 Cb -0.10 -1.56 -0.01 0.00 0.13 0.00 0.00 42.46 40.92 3i6b s ILE 42 CO 0.28 0.22 0.58 -0.31 -1.91 0.00 0.00 174.94 173.80 3i6b s TYR 43 N 1.48 3.21 0.06 3.50 1.51 -0.13 -4.94 117.35 122.03 3i6b s TYR 43 Ca 0.01 0.50 0.08 0.00 -1.01 0.00 0.00 57.07 56.64 3i6b s TYR 43 Cb -0.15 -2.93 -0.03 0.00 -0.11 0.00 0.00 41.96 38.73 3i6b s TYR 43 CO -0.09 -0.46 -0.21 -1.64 -1.11 0.00 0.00 175.55 172.05 3i6b s MET 44 N 2.51 1.91 0.21 -0.62 -1.94 -1.26 -0.16 119.30 119.95 3i6b s MET 44 Ca 0.23 -1.07 0.11 0.00 -1.71 0.00 0.00 55.69 53.26 3i6b s MET 44 Cb -0.15 -2.10 -0.05 0.00 2.01 0.00 0.00 34.83 34.54 3i6b s MET 44 CO 0.12 0.52 -0.23 0.20 -0.01 0.00 0.00 175.02 175.62 3i6b s GLY 45 N -1.51 1.73 0.48 -0.03 0.00 0.13 -4.94 107.32 103.18 3i6b s GLY 45 Ca 0.14 -1.68 0.15 0.00 0.00 0.00 0.00 44.72 43.33 3i6b s GLY 45 CO 0.05 -1.72 2.07 3.43 0.00 0.00 0.00 173.10 176.93 3i6b h ASN 46 N 3.03 0.18 -0.94 1.64 2.35 -2.01 -2.48 115.58 117.35 3i6b h ASN 46 Ca -0.45 -0.00 -0.62 0.00 -0.55 0.00 0.00 56.30 54.68 3i6b h ASN 46 Cb 1.22 -0.04 -0.36 0.00 0.05 0.00 0.00 38.32 39.19 3i6b h ASN 46 CO 0.50 0.12 0.01 -0.46 -1.65 0.00 0.00 177.43 175.96 3i6b n ASN 47 N -4.48 6.27 0.00 5.81 2.04 -1.26 -4.93 115.26 118.71 3i6b n ASN 47 Ca 0.03 -3.77 0.00 0.00 -0.44 0.00 0.00 54.58 50.40 3i6b n ASN 47 Cb 0.24 -0.66 0.00 0.00 -2.53 0.00 0.00 39.78 36.83 3i6b n ASN 47 CO 0.00 0.00 0.00 0.61 -0.44 0.00 0.00 177.26 177.43 3i6b n GLY 48 N -0.79 0.74 3.77 4.83 0.00 -0.93 -5.04 105.19 107.76 3i6b n GLY 48 Ca 0.53 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 46.14 3i6b n GLY 48 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3i6b s GLU 49 N -0.47 4.43 -0.05 1.61 8.01 -1.25 -4.83 118.70 126.15 3i6b s GLU 49 Ca 0.00 2.11 0.00 0.00 0.01 0.00 0.00 54.97 57.09 3i6b s GLU 49 Cb 0.00 -3.11 0.02 0.00 -4.31 0.00 0.00 34.13 26.74 3i6b s GLU 49 CO 0.00 -0.09 -0.03 -2.00 0.01 0.00 0.00 175.26 173.16 3i6b s GLU 50 N -1.63 0.73 0.04 1.61 2.12 -1.25 -0.69 118.70 119.61 3i6b s GLU 50 Ca 0.48 -0.02 0.04 0.00 0.36 0.00 0.00 54.97 55.83 3i6b s GLU 50 Cb -0.38 -0.88 -0.02 0.00 0.26 0.00 0.00 34.13 33.11 3i6b s GLU 50 CO 0.49 -0.17 -0.12 -0.51 -0.54 0.00 0.00 175.26 174.41 3i6b s LEU 51 N 1.32 2.18 0.05 2.70 1.02 0.78 -4.97 118.68 121.77 3i6b s LEU 51 Ca -0.05 -0.46 0.06 0.00 0.02 0.00 0.00 54.13 53.70 3i6b s LEU 51 Cb -0.13 -0.49 -0.03 0.00 0.02 0.00 0.00 46.19 45.56 3i6b s LEU 51 CO -0.02 -0.02 -0.16 -0.54 0.02 0.00 0.00 176.35 175.64 3i6b s LYS 52 N -1.19 0.97 -0.24 1.70 1.02 -1.26 -0.96 119.74 119.79 3i6b s LYS 52 Ca -0.01 -0.87 -0.10 0.00 0.02 0.00 0.00 55.97 55.01 3i6b s LYS 52 Cb -0.08 -1.02 -0.05 0.00 -0.52 0.00 0.00 37.83 36.17 3i6b s LYS 52 CO 0.01 0.24 0.15 0.00 -0.92 0.00 0.00 175.35 174.84 3i6b s ALA 53 N -0.99 3.59 0.38 5.17 0.00 -1.26 -5.07 121.76 123.57 3i6b s ALA 53 Ca 0.02 -0.89 0.08 0.00 0.00 0.00 0.00 51.96 51.17 3i6b s ALA 53 Cb -0.09 -2.30 -0.03 0.00 0.00 0.00 0.00 23.12 20.71 3i6b s ALA 53 CO 0.02 -0.18 0.30 -0.06 0.00 0.00 0.00 175.76 175.84 3i6b s PHE 54 N 1.03 2.77 -0.07 0.00 0.40 -1.26 -3.05 117.98 117.80 3i6b s PHE 54 Ca 0.07 -0.42 0.05 0.00 -0.60 0.00 0.00 56.93 56.03 3i6b s PHE 54 Cb -0.13 -1.96 -0.01 0.00 0.51 0.00 0.00 43.02 41.42 3i6b s PHE 54 CO 0.04 0.07 -0.21 1.21 0.70 0.00 0.00 175.22 177.03 3i6b s ASN 55 N -4.03 3.42 0.43 1.36 2.47 -1.26 -5.02 114.94 112.31 3i6b s ASN 55 Ca 0.44 -0.42 0.14 0.00 0.42 0.00 0.00 52.86 53.44 3i6b s ASN 55 Cb -0.03 -0.98 0.92 0.00 -1.45 0.00 0.00 41.25 39.71 3i6b s ASN 55 CO 0.26 0.25 1.94 1.62 -3.72 0.00 0.00 177.10 177.46 3i6b h VAL 56 N 4.98 1.16 -0.29 -5.21 3.04 -1.98 -2.28 116.25 115.67 3i6b h VAL 56 Ca -0.34 -0.81 -0.05 0.00 -1.01 0.00 0.00 66.70 64.49 3i6b h VAL 56 Cb 1.18 1.44 -0.02 0.00 -2.01 0.00 0.00 31.29 31.88 3i6b h VAL 56 CO 0.49 0.23 -0.04 -0.09 -1.01 0.00 0.00 177.57 177.15 3i6b h ARG 57 N 0.00 0.46 -0.53 4.17 2.43 -1.95 -2.94 114.38 116.02 3i6b h ARG 57 Ca -0.00 -0.10 -0.12 0.00 -0.81 0.00 0.00 59.98 58.94 3i6b h ARG 57 Cb 0.42 -0.06 -0.02 0.00 -0.42 0.00 0.00 29.97 29.89 3i6b h ARG 57 CO 0.03 0.52 -0.15 -0.44 -1.51 0.00 0.00 179.97 178.42 3i6b h ASP 58 N 0.44 1.04 -0.48 -3.80 3.32 -1.76 -3.27 116.42 111.91 3i6b h ASP 58 Ca 0.09 -0.37 0.01 0.00 0.02 0.00 0.00 57.03 56.79 3i6b h ASP 58 Cb 0.35 -0.29 -0.03 0.00 0.22 0.00 0.00 39.33 39.59 3i6b h ASP 58 CO 0.01 1.17 0.30 1.23 -1.72 0.00 0.00 179.24 180.24 3i6b h GLY 59 N 0.90 0.67 1.25 2.75 0.00 -1.51 -1.62 103.07 105.52 3i6b h GLY 59 Ca 0.13 -0.24 -0.03 0.00 0.00 0.00 0.00 47.33 47.19 3i6b h GLY 59 CO 0.06 0.22 0.27 -1.82 0.00 0.00 0.00 176.54 175.27 3i6b h TYR 60 N 0.62 0.97 -0.08 5.60 5.03 -1.64 -2.47 116.97 124.99 3i6b h TYR 60 Ca 0.18 -0.06 -0.01 0.00 2.58 0.00 0.00 58.73 61.43 3i6b h TYR 60 Cb -0.04 -0.30 -0.00 0.00 1.55 0.00 0.00 36.73 37.94 3i6b h TYR 60 CO -0.05 0.74 0.02 0.78 -1.32 0.00 0.00 178.16 178.33 3i6b h GLY 61 N 1.03 0.14 0.69 1.82 0.00 -1.51 -2.39 103.07 102.85 3i6b h GLY 61 Ca 0.22 -0.09 0.05 0.00 0.00 0.00 0.00 47.33 47.51 3i6b h GLY 61 CO -0.02 0.08 0.24 -2.22 0.00 0.00 0.00 176.54 174.62 3i6b h ILE 62 N -0.07 0.93 -0.24 2.60 2.04 -1.18 -0.04 117.51 121.56 3i6b h ILE 62 Ca 0.03 -0.16 -0.09 0.00 1.00 0.00 0.00 64.86 65.63 3i6b h ILE 62 Cb 0.24 0.42 -0.01 0.00 -0.74 0.00 0.00 36.82 36.72 3i6b h ILE 62 CO -0.00 0.09 -0.25 0.03 0.00 0.00 0.00 178.15 178.02 3i6b h ARG 63 N 0.47 0.45 -0.20 2.37 3.08 -1.46 -0.01 114.38 119.09 3i6b h ARG 63 Ca 0.23 -0.17 -0.01 0.00 0.07 0.00 0.00 59.98 60.10 3i6b h ARG 63 Cb 0.16 -0.03 -0.01 0.00 0.08 0.00 0.00 29.97 30.17 3i6b h ARG 63 CO -0.17 0.67 0.10 0.00 -1.07 0.00 0.00 179.97 179.50 3i6b h ALA 65 N 0.97 0.36 -0.19 0.00 0.00 -0.52 -1.82 119.26 118.07 3i6b h ALA 65 Ca 0.07 0.09 -0.07 0.00 0.00 0.00 0.00 54.91 55.00 3i6b h ALA 65 Cb 0.11 0.13 -0.01 0.00 0.00 0.00 0.00 17.79 18.01 3i6b h ALA 65 CO -0.01 -0.36 -0.17 -0.07 0.00 0.00 0.00 179.25 178.64 3i6b h LEU 66 N 0.15 0.30 -0.50 0.00 3.38 -0.95 -1.86 115.31 115.84 3i6b h LEU 66 Ca 0.17 -0.08 0.00 0.00 0.09 0.00 0.00 57.88 58.07 3i6b h LEU 66 Cb 0.22 -0.08 0.00 0.00 0.09 0.00 0.00 40.66 40.89 3i6b h LEU 66 CO -0.26 0.50 -0.16 0.35 0.09 0.00 0.00 178.44 178.96 3i6b n THR 67 N -4.21 0.00 -1.72 0.22 -2.24 -0.81 -3.99 114.28 101.53 3i6b n THR 67 Ca -0.00 -0.13 -0.13 0.00 -2.27 0.00 0.00 64.05 61.52 3i6b n THR 67 Cb 0.32 0.26 0.11 0.00 -2.10 0.00 0.00 70.33 68.92 3i6b n THR 67 CO 0.00 0.00 0.00 -1.20 -0.57 0.00 0.00 175.07 173.30 3i6b n SER 68 N -0.58 3.80 -0.85 3.42 7.64 -0.70 -4.96 113.62 121.39 3i6b n SER 68 Ca 0.14 -3.81 -0.09 0.00 1.01 0.00 0.00 58.87 56.13 3i6b n SER 68 Cb 0.32 -0.52 -0.02 0.00 -1.01 0.00 0.00 64.21 62.98 3i6b n SER 68 CO 0.00 0.00 0.00 -0.67 -3.01 0.00 0.00 175.04 171.36 3i6b n ASP 69 N -0.93 -3.71 -4.07 6.43 2.03 -1.21 -4.98 116.55 110.10 3i6b n ASP 69 Ca 0.37 0.13 -0.32 0.00 0.52 0.00 0.00 54.79 55.49 3i6b n ASP 69 Cb 0.89 -2.43 -0.15 0.00 -0.72 0.00 0.00 41.12 38.71 3i6b n ASP 69 CO 0.00 0.00 0.00 -0.63 -1.92 0.00 0.00 177.20 174.65 3i6b s ILE 70 N -2.39 2.13 0.50 5.18 1.01 -0.80 -4.77 121.20 122.06 3i6b s ILE 70 Ca 0.00 -1.51 -0.21 0.00 0.00 0.00 0.00 60.65 58.93 3i6b s ILE 70 Cb 0.00 -2.20 -0.07 0.00 0.01 0.00 0.00 42.46 40.21 3i6b s ILE 70 CO 0.00 0.06 1.14 -1.61 0.00 0.00 0.00 174.94 174.53 3i6b s GLU 71 N 1.14 3.57 -0.08 2.79 0.41 0.39 -3.31 118.70 123.60 3i6b s GLU 71 Ca -0.07 1.68 0.03 0.00 -0.41 0.00 0.00 54.97 56.21 3i6b s GLU 71 Cb -0.19 -2.20 0.00 0.00 -1.78 0.00 0.00 34.13 29.97 3i6b s GLU 71 CO -0.06 -0.69 -0.20 0.08 -0.49 0.00 0.00 175.26 173.90 3i6b s VAL 72 N -1.67 1.71 0.12 2.63 1.01 -1.26 -0.58 120.40 122.36 3i6b s VAL 72 Ca 0.68 -0.82 0.04 0.00 0.00 0.00 0.00 61.98 61.89 3i6b s VAL 72 Cb -0.26 -1.49 -0.04 0.00 0.00 0.00 0.00 36.38 34.59 3i6b s VAL 72 CO 0.30 0.48 -0.11 0.00 0.00 0.00 0.00 175.10 175.78 3i6b s ALA 73 N 0.42 1.31 -0.10 5.51 0.00 0.19 -4.34 121.76 124.75 3i6b s ALA 73 Ca -0.16 -1.34 0.01 0.00 0.00 0.00 0.00 51.96 50.47 3i6b s ALA 73 Cb -0.17 0.03 0.02 0.00 0.00 0.00 0.00 23.12 23.00 3i6b s ALA 73 CO 0.07 -0.05 -0.13 0.42 0.00 0.00 0.00 175.76 176.07 3i6b s ILE 74 N -2.83 1.30 -0.14 0.00 1.01 -0.38 -0.84 121.20 119.33 3i6b s ILE 74 Ca 0.11 -0.52 -0.00 0.00 0.00 0.00 0.00 60.65 60.24 3i6b s ILE 74 Cb -0.01 -1.21 -0.01 0.00 0.01 0.00 0.00 42.46 41.24 3i6b s ILE 74 CO 0.00 0.40 -0.14 -0.63 0.00 0.00 0.00 174.94 174.58 3i6b s ILE 75 N 1.09 2.96 0.06 2.92 1.01 -1.21 -0.03 121.20 128.00 3i6b s ILE 75 Ca -0.06 -0.69 -0.03 0.00 0.00 0.00 0.00 60.65 59.87 3i6b s ILE 75 Cb -0.14 -2.24 -0.03 0.00 0.01 0.00 0.00 42.46 40.05 3i6b s ILE 75 CO -0.02 0.52 0.04 0.28 0.00 0.00 0.00 174.94 175.76 3i6b s THR 76 N 0.46 0.19 0.06 2.92 -1.32 -0.22 -4.53 115.64 113.20 3i6b s THR 76 Ca -0.10 -1.56 -0.18 0.00 -1.21 0.00 0.00 61.69 58.65 3i6b s THR 76 Cb -0.16 -1.38 -0.12 0.00 -1.51 0.00 0.00 72.50 69.33 3i6b s THR 76 CO 0.05 -0.86 1.37 1.23 -2.21 0.00 0.00 174.62 174.20 3i6b h GLY 77 N 3.13 0.56 -3.35 6.08 0.00 -1.87 -1.01 103.07 106.61 3i6b h GLY 77 Ca -0.34 -0.58 -0.39 0.00 0.00 0.00 0.00 47.33 46.02 3i6b h GLY 77 CO 0.61 0.53 -0.74 1.09 0.00 0.00 0.00 176.54 178.03 3i6b s ARG 78 N -4.29 1.04 -0.07 4.80 3.03 -1.26 -2.65 118.95 119.55 3i6b s ARG 78 Ca -0.13 -1.31 -0.29 0.00 2.03 0.00 0.00 55.73 56.03 3i6b s ARG 78 Cb 0.07 -0.82 -0.02 0.00 -1.03 0.00 0.00 34.95 33.15 3i6b s ARG 78 CO 0.79 0.14 0.97 0.21 -1.13 0.00 0.00 175.30 176.28 3i6b s LYS 79 N -3.00 4.46 -0.09 3.89 2.20 -1.26 -4.00 119.74 121.93 3i6b s LYS 79 Ca 0.11 1.35 -0.04 0.00 -0.36 0.00 0.00 55.97 57.03 3i6b s LYS 79 Cb -0.03 -3.51 0.05 0.00 -1.51 0.00 0.00 37.83 32.83 3i6b s LYS 79 CO 0.02 -0.21 0.21 0.00 -0.36 0.00 0.00 175.35 175.01 3i6b s ALA 80 N 1.64 -0.43 0.33 3.13 0.00 -1.26 -5.00 121.76 120.17 3i6b s ALA 80 Ca 0.48 0.86 0.06 0.00 0.00 0.00 0.00 51.96 53.36 3i6b s ALA 80 Cb -0.19 -0.65 0.71 0.00 0.00 0.00 0.00 23.12 23.00 3i6b s ALA 80 CO 0.21 -0.27 1.87 -0.22 0.00 0.00 0.00 175.76 177.35 3i6b h LYS 81 N 7.45 0.79 -0.54 0.00 3.64 -1.99 -2.42 116.57 123.51 3i6b h LYS 81 Ca -0.36 -0.05 -0.02 0.00 -1.27 0.00 0.00 60.65 58.96 3i6b h LYS 81 Cb 1.14 -0.18 -0.03 0.00 -0.41 0.00 0.00 32.23 32.76 3i6b h LYS 81 CO 0.34 0.52 0.27 1.37 -2.27 0.00 0.00 179.45 179.68 3i6b h LEU 82 N 0.81 0.67 -0.11 5.20 8.10 -1.96 0.75 115.31 128.78 3i6b h LEU 82 Ca 0.44 -0.06 -0.22 0.00 0.11 0.00 0.00 57.88 58.15 3i6b h LEU 82 Cb 0.57 -0.17 0.01 0.00 -0.44 0.00 0.00 40.66 40.63 3i6b h LEU 82 CO -0.21 0.56 -0.81 0.58 -4.11 0.00 0.00 178.44 174.46 3i6b h VAL 83 N 0.75 1.29 -0.42 0.15 2.07 -1.87 -0.97 116.25 117.25 3i6b h VAL 83 Ca 0.19 -2.02 0.04 0.00 0.82 0.00 0.00 66.70 65.73 3i6b h VAL 83 Cb 0.06 2.11 -0.04 0.00 -1.52 0.00 0.00 31.29 31.90 3i6b h VAL 83 CO -0.03 0.63 0.18 -0.33 0.02 0.00 0.00 177.57 178.05 3i6b h GLU 84 N 0.45 0.36 -0.78 1.57 5.08 -1.09 -0.70 114.58 119.47 3i6b h GLU 84 Ca -0.07 -0.02 0.00 0.00 -1.00 0.00 0.00 59.36 58.27 3i6b h GLU 84 Cb 1.45 -0.08 -0.04 0.00 0.50 0.00 0.00 28.75 30.58 3i6b h GLU 84 CO 0.16 0.24 0.49 -0.44 -1.00 0.00 0.00 179.01 178.47 3i6b h ASP 85 N 0.37 0.92 -0.68 1.42 5.19 -0.81 -1.80 116.42 121.03 3i6b h ASP 85 Ca 0.19 -0.05 -0.04 0.00 -0.62 0.00 0.00 57.03 56.51 3i6b h ASP 85 Cb 0.13 -0.23 -0.03 0.00 0.18 0.00 0.00 39.33 39.38 3i6b h ASP 85 CO -0.16 0.69 0.27 -0.09 -3.12 0.00 0.00 179.24 176.83 3i6b h ARG 86 N 1.07 1.04 -0.37 3.56 9.65 -0.64 -2.48 114.38 126.22 3i6b h ARG 86 Ca 0.28 -0.18 -0.16 0.00 -1.10 0.00 0.00 59.98 58.82 3i6b h ARG 86 Cb -0.08 -0.17 -0.01 0.00 -1.39 0.00 0.00 29.97 28.33 3i6b h ARG 86 CO -0.06 0.86 -0.41 0.00 2.80 0.00 0.00 179.97 183.16 3i6b h ALA 88 N 0.79 0.67 -0.79 0.00 0.00 -1.22 0.29 119.26 118.99 3i6b h ALA 88 Ca 0.05 -0.04 -0.03 0.00 0.00 0.00 0.00 54.91 54.90 3i6b h ALA 88 Cb 1.00 -0.21 -0.04 0.00 0.00 0.00 0.00 17.79 18.54 3i6b h ALA 88 CO 0.10 0.11 0.39 1.15 0.00 0.00 0.00 179.25 180.99 3i6b h THR 89 N 0.71 1.25 0.00 0.00 2.02 -1.43 -3.00 112.91 112.46 3i6b h THR 89 Ca 0.19 -0.68 0.00 0.00 0.77 0.00 0.00 66.41 66.69 3i6b h THR 89 Cb -0.08 0.24 0.00 0.00 -1.74 0.00 0.00 68.15 66.57 3i6b h THR 89 CO -0.04 0.29 -0.58 -0.07 0.37 0.00 0.00 175.52 175.49 3i6b h LEU 90 N 1.11 0.00 0.00 2.58 3.38 -1.29 -3.48 115.31 117.61 3i6b h LEU 90 Ca 0.27 -0.03 0.00 0.00 0.09 0.00 0.00 57.88 58.21 3i6b h LEU 90 Cb 0.11 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.86 3i6b h LEU 90 CO -0.04 0.02 0.00 0.61 0.09 0.00 0.00 178.44 179.12 3i6b n GLY 91 N 1.19 0.78 3.61 0.83 0.00 0.73 -4.67 105.19 107.67 3i6b n GLY 91 Ca 0.02 -0.53 -0.43 0.00 0.00 0.00 0.00 46.02 45.08 3i6b n GLY 91 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3i6b s ILE 92 N -2.00 4.49 -0.17 -0.61 1.01 0.37 -4.90 121.20 119.39 3i6b s ILE 92 Ca 0.00 1.36 0.22 0.00 0.00 0.00 0.00 60.65 62.23 3i6b s ILE 92 Cb 0.00 -4.41 -0.19 0.00 0.01 0.00 0.00 42.46 37.87 3i6b s ILE 92 CO 0.00 -0.62 0.75 0.35 0.00 0.00 0.00 174.94 175.42 3i6b n THR 93 N 6.12 0.26 -3.31 2.92 -2.24 -1.26 -4.46 114.28 112.32 3i6b n THR 93 Ca 0.10 -0.50 -0.47 0.00 -2.27 0.00 0.00 64.05 60.91 3i6b n THR 93 Cb 0.48 -0.11 -0.02 0.00 -2.10 0.00 0.00 70.33 68.58 3i6b n THR 93 CO 0.00 0.00 0.00 -1.00 -0.57 0.00 0.00 175.07 173.50 3i6b s HIS 94 N -3.43 3.70 -0.18 4.78 3.76 -1.26 -5.00 115.29 117.66 3i6b s HIS 94 Ca -0.04 -1.92 0.01 0.00 -0.15 0.00 0.00 55.06 52.96 3i6b s HIS 94 Cb 0.12 -3.84 0.03 0.00 1.11 0.00 0.00 32.58 30.00 3i6b s HIS 94 CO 0.85 -1.02 -0.15 -1.17 -0.85 0.00 0.00 174.74 172.41 3i6b s LEU 95 N 0.37 2.11 -0.23 0.89 2.96 -1.26 -1.25 118.68 122.27 3i6b s LEU 95 Ca 0.18 -0.70 -0.06 0.00 -0.22 0.00 0.00 54.13 53.32 3i6b s LEU 95 Cb -0.11 -1.33 -0.02 0.00 0.50 0.00 0.00 46.19 45.23 3i6b s LEU 95 CO -0.08 -0.07 0.04 -0.31 -1.32 0.00 0.00 176.35 174.61 3i6b s TYR 96 N 1.37 3.06 0.11 5.38 1.51 0.96 -5.00 117.35 124.74 3i6b s TYR 96 Ca 0.03 -0.49 0.10 0.00 -1.01 0.00 0.00 57.07 55.70 3i6b s TYR 96 Cb -0.14 -2.17 -0.04 0.00 -0.11 0.00 0.00 41.96 39.50 3i6b s TYR 96 CO -0.11 -0.34 -0.24 -0.65 -1.11 0.00 0.00 175.55 173.11 3i6b s GLN 97 N 1.39 1.33 -0.92 -0.62 -0.21 -1.26 -1.05 119.66 118.32 3i6b s GLN 97 Ca 0.05 -1.24 -0.02 0.00 0.02 0.00 0.00 55.36 54.17 3i6b s GLN 97 Cb -0.15 -1.70 0.00 0.00 1.00 0.00 0.00 33.01 32.17 3i6b s GLN 97 CO 0.02 0.41 0.22 0.41 -2.12 0.00 0.00 175.29 174.22 3i6b n GLY 98 N 1.10 -0.04 3.43 3.09 0.00 -1.11 -4.80 105.19 106.86 3i6b n GLY 98 Ca -0.18 -0.32 -0.44 0.00 0.00 0.00 0.00 46.02 45.08 3i6b n GLY 98 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 3i6b s GLN 99 N -4.96 3.10 0.06 1.61 -1.52 -0.40 -4.87 119.66 112.68 3i6b s GLN 99 Ca 0.11 -1.00 -0.19 0.00 -1.95 0.00 0.00 55.36 52.33 3i6b s GLN 99 Cb -0.05 -4.15 -0.13 0.00 -0.22 0.00 0.00 33.01 28.46 3i6b s GLN 99 CO 0.13 -1.34 1.36 0.66 -0.25 0.00 0.00 175.29 175.85 3i6b h SER 100 N 9.08 0.50 -3.40 5.90 4.64 -1.85 -3.38 113.55 125.04 3i6b h SER 100 Ca -0.28 -0.48 -0.73 0.00 -0.47 0.00 0.00 61.79 59.83 3i6b h SER 100 Cb 1.09 -0.14 -0.25 0.00 -0.31 0.00 0.00 62.40 62.79 3i6b h SER 100 CO 1.02 0.88 -0.41 0.21 -0.87 0.00 0.00 176.83 177.66 3i6b s ASN 101 N -6.27 5.87 0.55 4.97 3.84 -1.26 -4.95 114.94 117.69 3i6b s ASN 101 Ca -0.14 -1.39 0.33 0.00 0.21 0.00 0.00 52.86 51.88 3i6b s ASN 101 Cb 0.06 -2.08 1.54 0.00 -0.55 0.00 0.00 41.25 40.23 3i6b s ASN 101 CO 0.78 -0.57 2.06 0.11 -2.79 0.00 0.00 177.10 176.69 3i6b h LYS 102 N 8.56 0.00 -0.22 0.43 1.57 -1.95 -2.89 116.57 122.07 3i6b h LYS 102 Ca -0.25 0.00 -0.12 0.00 -1.87 0.00 0.00 60.65 58.41 3i6b h LYS 102 Cb 1.10 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 33.40 3i6b h LYS 102 CO 0.80 0.06 -0.37 -0.07 -0.57 0.00 0.00 179.45 179.30 3i6b h LEU 103 N 0.00 0.51 0.37 2.94 3.38 -1.96 -1.59 115.31 118.95 3i6b h LEU 103 Ca -0.00 -0.21 -0.02 0.00 0.09 0.00 0.00 57.88 57.74 3i6b h LEU 103 Cb 0.40 -0.14 0.00 0.00 0.09 0.00 0.00 40.66 41.01 3i6b h LEU 103 CO 0.01 0.84 -0.18 0.40 0.09 0.00 0.00 178.44 179.60 3i6b h ILE 104 N 0.41 0.60 -0.69 1.22 1.08 -1.95 -0.65 117.51 117.53 3i6b h ILE 104 Ca 0.04 -0.49 0.14 0.00 -0.39 0.00 0.00 64.86 64.16 3i6b h ILE 104 Cb 0.84 0.84 -0.10 0.00 -3.07 0.00 0.00 36.82 35.32 3i6b h ILE 104 CO 0.07 0.09 0.16 0.00 -0.69 0.00 0.00 178.15 177.78 3i6b h ALA 105 N -0.30 0.87 -0.26 1.87 0.00 -1.63 -0.36 119.26 119.44 3i6b h ALA 105 Ca -0.05 0.16 0.05 0.00 0.00 0.00 0.00 54.91 55.06 3i6b h ALA 105 Cb 0.52 0.22 -0.04 0.00 0.00 0.00 0.00 17.79 18.49 3i6b h ALA 105 CO 0.08 -0.32 -0.03 0.35 0.00 0.00 0.00 179.25 179.33 3i6b h PHE 106 N 0.27 -0.06 -0.38 0.00 3.04 -1.14 0.10 116.94 118.77 3i6b h PHE 106 Ca 0.38 0.02 0.00 0.00 3.98 0.00 0.00 57.97 62.35 3i6b h PHE 106 Cb 0.62 0.07 -0.02 0.00 2.56 0.00 0.00 35.95 39.18 3i6b h PHE 106 CO -0.26 -0.07 0.25 0.77 -2.02 0.00 0.00 178.31 176.98 3i6b h SER 107 N 0.05 0.45 -0.81 0.41 0.02 -0.30 -1.72 113.55 111.64 3i6b h SER 107 Ca 0.12 -0.02 -0.02 0.00 -0.84 0.00 0.00 61.79 61.03 3i6b h SER 107 Cb 0.17 -0.11 -0.04 0.00 0.14 0.00 0.00 62.40 62.56 3i6b h SER 107 CO -0.23 0.34 0.44 -0.78 -1.14 0.00 0.00 176.83 175.45 3i6b h ASP 108 N 0.51 1.02 -0.35 3.07 3.58 -0.80 -1.91 116.42 121.54 3i6b h ASP 108 Ca 0.14 -0.09 -0.02 0.00 0.42 0.00 0.00 57.03 57.48 3i6b h ASP 108 Cb -0.04 -0.26 -0.02 0.00 1.72 0.00 0.00 39.33 40.73 3i6b h ASP 108 CO -0.03 0.83 0.15 0.25 -2.88 0.00 0.00 179.24 177.56 3i6b h LEU 109 N 1.15 0.47 -0.83 2.28 6.46 -0.50 0.37 115.31 124.71 3i6b h LEU 109 Ca 0.29 -0.15 -0.12 0.00 -0.12 0.00 0.00 57.88 57.78 3i6b h LEU 109 Cb 0.04 -0.12 -0.01 0.00 -0.73 0.00 0.00 40.66 39.83 3i6b h LEU 109 CO -0.05 0.49 -0.46 -0.07 -0.62 0.00 0.00 178.44 177.73 3i6b h LEU 110 N 0.42 0.30 0.00 2.25 3.38 -1.13 -2.31 115.31 118.22 3i6b h LEU 110 Ca 0.12 -0.14 -0.27 0.00 0.09 0.00 0.00 57.88 57.68 3i6b h LEU 110 Cb 0.16 -0.09 0.02 0.00 0.09 0.00 0.00 40.66 40.84 3i6b h LEU 110 CO -0.01 0.73 -1.11 -0.33 0.09 0.00 0.00 178.44 177.80 3i6b h GLU 111 N 0.23 0.52 -0.75 1.13 4.39 -1.20 -0.20 114.58 118.70 3i6b h GLU 111 Ca 0.01 -0.64 -0.04 0.00 0.34 0.00 0.00 59.36 59.03 3i6b h GLU 111 Cb 0.91 0.20 -0.03 0.00 -0.10 0.00 0.00 28.75 29.73 3i6b h GLU 111 CO 0.07 1.26 0.33 -0.22 -1.16 0.00 0.00 179.01 179.29 3i6b h LYS 112 N 0.26 1.10 -0.08 2.33 3.64 -0.87 -3.15 116.57 119.80 3i6b h LYS 112 Ca -0.14 -0.17 0.00 0.00 -1.27 0.00 0.00 60.65 59.07 3i6b h LYS 112 Cb 1.77 -0.19 0.00 0.00 -0.41 0.00 0.00 32.23 33.40 3i6b h LYS 112 CO 0.20 0.87 0.00 1.28 -2.27 0.00 0.00 179.45 179.53 3i6b n LEU 113 N -4.30 3.05 -3.94 5.20 4.77 -0.88 -4.98 117.00 115.92 3i6b n LEU 113 Ca 0.07 -1.06 -0.29 0.00 -0.03 0.00 0.00 56.01 54.70 3i6b n LEU 113 Cb 0.16 -0.03 0.01 0.00 -2.33 0.00 0.00 43.42 41.23 3i6b n LEU 113 CO 0.40 0.53 -0.02 0.00 -1.33 0.00 0.00 177.39 176.96 3i6b n ALA 114 N 1.36 -1.57 -2.55 -1.18 0.00 -0.18 -4.98 120.51 111.41 3i6b n ALA 114 Ca 0.15 -0.01 -0.32 0.00 0.00 0.00 0.00 53.44 53.25 3i6b n ALA 114 Cb 0.60 -3.17 -0.11 0.00 0.00 0.00 0.00 19.45 16.76 3i6b n ALA 114 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.50 177.92 3i6b s ILE 115 N -3.51 3.41 0.31 0.00 1.01 -0.64 -5.04 121.20 116.74 3i6b s ILE 115 Ca 0.41 -0.76 -0.19 0.00 0.00 0.00 0.00 60.65 60.12 3i6b s ILE 115 Cb -0.21 -2.43 -0.09 0.00 0.01 0.00 0.00 42.46 39.74 3i6b s ILE 115 CO 0.86 0.47 0.80 0.00 0.00 0.00 0.00 174.94 177.07 3i6b s ALA 116 N -0.89 3.28 0.49 9.38 0.00 -1.26 -4.74 121.76 128.02 3i6b s ALA 116 Ca 0.15 0.20 0.24 0.00 0.00 0.00 0.00 51.96 52.55 3i6b s ALA 116 Cb -0.11 -2.91 1.30 0.00 0.00 0.00 0.00 23.12 21.40 3i6b s ALA 116 CO 0.04 0.27 1.93 -1.35 0.00 0.00 0.00 175.76 176.66 3i6b h PRO 117 N 2.63 0.15 0.00 0.00 0.11 -1.97 -0.46 132.00 132.46 3i6b h PRO 117 Ca -0.48 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.62 3i6b h PRO 117 Cb 1.18 -0.03 0.00 0.00 0.11 0.00 0.00 31.00 32.26 3i6b h PRO 117 CO 0.64 0.10 0.00 1.05 -0.21 0.00 0.00 178.00 179.58 3i6b h GLU 118 N 0.15 0.00 -0.62 1.05 9.09 -1.89 -1.18 114.58 121.17 3i6b h GLU 118 Ca 0.36 0.00 0.00 0.00 0.05 0.00 0.00 59.36 59.77 3i6b h GLU 118 Cb 1.19 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 28.29 3i6b h GLU 118 CO -0.06 0.00 0.00 0.09 0.05 0.00 0.00 179.01 179.09 3i6b n ASN 119 N -2.54 3.52 -4.31 3.06 3.02 -0.18 -4.11 115.26 113.72 3i6b n ASN 119 Ca 0.01 -2.35 -0.32 0.00 -0.03 0.00 0.00 54.58 51.89 3i6b n ASN 119 Cb 0.24 -0.50 -0.16 0.00 -0.61 0.00 0.00 39.78 38.75 3i6b n ASN 119 CO 0.00 0.00 0.00 -0.69 -2.62 0.00 0.00 177.26 173.95 3i6b s VAL 120 N -1.81 2.25 0.04 2.41 1.01 -0.85 -0.35 120.40 123.10 3i6b s VAL 120 Ca 0.35 -1.00 0.06 0.00 0.00 0.00 0.00 61.98 61.40 3i6b s VAL 120 Cb 0.23 -1.83 -0.03 0.00 0.00 0.00 0.00 36.38 34.75 3i6b s VAL 120 CO 0.16 0.57 -0.16 0.00 0.00 0.00 0.00 175.10 175.67 3i6b s ALA 121 N -0.24 2.68 -0.03 5.51 0.00 0.07 -1.46 121.76 128.29 3i6b s ALA 121 Ca -0.01 -1.17 0.01 0.00 0.00 0.00 0.00 51.96 50.79 3i6b s ALA 121 Cb -0.13 -0.81 0.02 0.00 0.00 0.00 0.00 23.12 22.20 3i6b s ALA 121 CO 0.03 0.58 -0.05 -0.47 0.00 0.00 0.00 175.76 175.86 3i6b s TYR 122 N -0.95 0.65 -0.22 0.00 5.04 -0.76 -0.41 117.35 120.70 3i6b s TYR 122 Ca 0.15 -0.15 -0.04 0.00 -2.44 0.00 0.00 57.07 54.59 3i6b s TYR 122 Cb -0.11 -0.55 -0.01 0.00 0.35 0.00 0.00 41.96 41.65 3i6b s TYR 122 CO 0.06 -0.13 -0.05 0.08 -1.34 0.00 0.00 175.55 174.17 3i6b s VAL 123 N 0.62 3.35 0.29 3.14 1.01 -0.52 -0.65 120.40 127.64 3i6b s VAL 123 Ca -0.08 -0.50 0.03 0.00 0.00 0.00 0.00 61.98 61.42 3i6b s VAL 123 Cb -0.11 -2.52 -0.06 0.00 0.00 0.00 0.00 36.38 33.70 3i6b s VAL 123 CO -0.00 0.43 0.08 -0.83 0.00 0.00 0.00 175.10 174.78 3i6b s GLY 124 N 1.42 1.92 0.00 4.51 0.00 -0.22 -2.78 107.32 112.16 3i6b s GLY 124 Ca 0.05 -1.97 0.00 0.00 0.00 0.00 0.00 44.72 42.80 3i6b s GLY 124 CO -0.03 -1.71 0.01 2.09 0.00 0.00 0.00 173.10 173.45 3i6b n ASP 125 N -0.58 0.01 -4.07 1.64 3.85 -1.26 -2.67 116.55 113.47 3i6b n ASP 125 Ca -0.01 -0.16 -0.15 0.00 -0.71 0.00 0.00 54.79 53.76 3i6b n ASP 125 Cb 0.66 0.23 -0.10 0.00 -1.35 0.00 0.00 41.12 40.57 3i6b n ASP 125 CO 0.00 0.00 0.00 -0.62 -1.01 0.00 0.00 177.20 175.57 3i6b s ASP 126 N -0.23 0.81 0.52 -1.12 -1.08 -1.26 -0.75 116.67 113.56 3i6b s ASP 126 Ca 0.00 -1.47 0.30 0.00 -0.52 0.00 0.00 52.55 50.86 3i6b s ASP 126 Cb 0.00 0.37 1.27 0.00 -1.46 0.00 0.00 42.92 43.10 3i6b s ASP 126 CO 0.00 -0.86 1.96 -0.07 0.52 0.00 0.00 175.17 176.72 3i6b h LEU 127 N 2.43 0.00 -1.95 -1.34 3.38 -1.98 -2.36 115.31 113.48 3i6b h LEU 127 Ca -0.34 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 57.61 3i6b h LEU 127 Cb 1.25 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 42.00 3i6b h LEU 127 CO 0.52 0.08 -0.06 0.16 0.09 0.00 0.00 178.44 179.23 3i6b h ILE 128 N 0.00 0.25 0.00 1.22 3.07 -2.05 -2.76 117.51 117.25 3i6b h ILE 128 Ca -0.00 -0.45 -0.04 0.00 1.55 0.00 0.00 64.86 65.92 3i6b h ILE 128 Cb 0.55 1.35 -0.01 0.00 -0.27 0.00 0.00 36.82 38.45 3i6b h ILE 128 CO 0.01 0.06 -0.19 0.44 -1.05 0.00 0.00 178.15 177.43 3i6b h ASP 129 N 0.00 0.00 -0.49 2.16 3.32 -1.85 -3.37 116.42 116.19 3i6b h ASP 129 Ca -0.00 0.00 0.04 0.00 0.02 0.00 0.00 57.03 57.09 3i6b h ASP 129 Cb 0.35 0.00 -0.04 0.00 0.22 0.00 0.00 39.33 39.85 3i6b h ASP 129 CO 0.01 0.19 0.24 -0.25 -1.72 0.00 0.00 179.24 177.70 3i6b h TRP 130 N 0.00 0.43 -0.98 4.55 2.91 -1.63 -0.82 115.95 120.41 3i6b h TRP 130 Ca -0.00 0.02 0.20 0.00 1.13 0.00 0.00 58.89 60.24 3i6b h TRP 130 Cb 0.99 -0.12 -0.09 0.00 -0.51 0.00 0.00 29.16 29.42 3i6b h TRP 130 CO 0.00 0.21 0.62 -1.35 -1.03 0.00 0.00 178.44 176.88 3i6b h PRO 131 N 0.46 0.61 0.13 2.65 0.11 -1.79 0.75 132.00 134.92 3i6b h PRO 131 Ca 0.21 -0.04 -0.20 0.00 0.11 0.00 0.00 66.00 66.09 3i6b h PRO 131 Cb 0.14 -0.14 0.01 0.00 0.11 0.00 0.00 31.00 31.12 3i6b h PRO 131 CO -0.16 0.40 -0.92 0.28 -0.21 0.00 0.00 178.00 177.40 3i6b h VAL 132 N 0.63 1.41 -0.45 3.15 2.07 -1.75 -3.34 116.25 117.97 3i6b h VAL 132 Ca 0.55 -2.50 0.11 0.00 0.82 0.00 0.00 66.70 65.69 3i6b h VAL 132 Cb 1.04 3.09 -0.02 0.00 -1.52 0.00 0.00 31.29 33.88 3i6b h VAL 132 CO -0.31 0.70 0.32 0.24 0.02 0.00 0.00 177.57 178.54 3i6b h MET 133 N -0.39 0.08 0.00 1.57 2.86 -0.52 -1.63 114.93 116.90 3i6b h MET 133 Ca -0.18 -0.00 -0.06 0.00 -2.06 0.00 0.00 59.70 57.40 3i6b h MET 133 Cb 1.64 -0.02 -0.01 0.00 0.06 0.00 0.00 31.60 33.27 3i6b h MET 133 CO 0.12 0.05 -0.31 1.49 1.06 0.00 0.00 176.91 179.33 3i6b h GLU 134 N 0.08 0.00 0.00 1.72 4.81 -0.99 -3.13 114.58 117.06 3i6b h GLU 134 Ca 0.21 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.44 3i6b h GLU 134 Cb 0.73 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.11 3i6b h GLU 134 CO -0.02 0.31 -0.60 0.87 -0.73 0.00 0.00 179.01 178.84 3i6b h LYS 135 N 0.00 0.00 -7.00 1.92 1.57 -1.43 -3.48 116.57 108.14 3i6b h LYS 135 Ca -0.00 0.00 -0.48 0.00 -1.87 0.00 0.00 60.65 58.30 3i6b h LYS 135 Cb 0.76 0.00 0.05 0.00 0.08 0.00 0.00 32.23 33.12 3i6b h LYS 135 CO 0.04 0.00 0.11 0.14 -0.57 0.00 0.00 179.45 179.17 3i6b s VAL 136 N -3.24 4.02 0.22 0.50 -7.23 -1.18 -4.62 120.40 108.87 3i6b s VAL 136 Ca 0.04 -0.03 -0.01 0.00 -1.81 0.00 0.00 61.98 60.17 3i6b s VAL 136 Cb 0.10 -3.56 -0.00 0.00 0.56 0.00 0.00 36.38 33.48 3i6b s VAL 136 CO 0.73 -0.54 1.59 1.23 -0.31 0.00 0.00 175.10 177.80 3i6b h GLY 137 N 0.02 0.60 -7.11 2.32 0.00 -0.08 -3.41 103.07 95.40 3i6b h GLY 137 Ca -0.46 -0.60 -0.55 0.00 0.00 0.00 0.00 47.33 45.72 3i6b h GLY 137 CO 0.60 0.54 -0.76 -2.27 0.00 0.00 0.00 176.54 174.65 3i6b s LEU 138 N -8.51 1.53 -0.04 3.11 2.96 -0.81 -4.91 118.68 112.02 3i6b s LEU 138 Ca -0.07 -1.30 -0.22 0.00 -0.22 0.00 0.00 54.13 52.31 3i6b s LEU 138 Cb 0.12 -0.67 -0.04 0.00 0.50 0.00 0.00 46.19 46.10 3i6b s LEU 138 CO 0.82 -0.39 0.66 -0.94 -1.32 0.00 0.00 176.35 175.19 3i6b s SER 139 N 1.80 6.99 -0.07 3.68 1.04 -1.26 -1.83 113.70 124.05 3i6b s SER 139 Ca 0.06 1.19 0.03 0.00 0.48 0.00 0.00 55.95 57.71 3i6b s SER 139 Cb -0.17 -2.40 0.01 0.00 0.10 0.00 0.00 66.02 63.56 3i6b s SER 139 CO -0.22 -0.03 -0.15 -0.69 0.98 0.00 0.00 173.24 173.12 3i6b s VAL 140 N 0.40 1.38 -0.12 5.02 1.01 0.17 -1.93 120.40 126.34 3i6b s VAL 140 Ca 0.35 -0.63 -0.01 0.00 0.00 0.00 0.00 61.98 61.69 3i6b s VAL 140 Cb -0.18 -1.23 -0.03 0.00 0.00 0.00 0.00 36.38 34.94 3i6b s VAL 140 CO 0.18 0.41 -0.07 0.00 0.00 0.00 0.00 175.10 175.62 3i6b s ALA 141 N 0.55 2.91 0.71 5.51 0.00 -0.36 -1.06 121.76 130.02 3i6b s ALA 141 Ca -0.15 -0.86 -0.14 0.00 0.00 0.00 0.00 51.96 50.81 3i6b s ALA 141 Cb -0.16 -1.36 0.03 0.00 0.00 0.00 0.00 23.12 21.63 3i6b s ALA 141 CO 0.05 0.36 1.13 0.14 0.00 0.00 0.00 175.76 177.43 3i6b s VAL 142 N -0.08 3.02 0.46 0.00 -7.23 -1.09 -1.59 120.40 113.88 3i6b s VAL 142 Ca 0.01 0.44 0.18 0.00 -1.81 0.00 0.00 61.98 60.80 3i6b s VAL 142 Cb -0.13 -2.93 0.37 0.00 0.56 0.00 0.00 36.38 34.24 3i6b s VAL 142 CO 0.03 -0.33 1.94 0.00 -0.31 0.00 0.00 175.10 176.43 3i6b h ALA 143 N -0.36 2.23 -0.54 1.32 0.00 -1.56 -0.58 119.26 119.77 3i6b h ALA 143 Ca -0.46 -0.01 -0.28 0.00 0.00 0.00 0.00 54.91 54.16 3i6b h ALA 143 Cb 1.25 -0.03 -0.17 0.00 0.00 0.00 0.00 17.79 18.84 3i6b h ALA 143 CO 0.52 -0.41 0.12 -0.40 0.00 0.00 0.00 179.25 179.08 3i6b n ASP 144 N -4.45 2.85 -4.57 0.00 5.75 -1.26 -5.00 116.55 109.86 3i6b n ASP 144 Ca 0.13 -3.75 -0.29 0.00 -0.01 0.00 0.00 54.79 50.87 3i6b n ASP 144 Cb 0.55 -0.70 0.22 0.00 -1.03 0.00 0.00 41.12 40.16 3i6b n ASP 144 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 3i6b s ALA 145 N -3.28 0.24 0.28 2.12 0.00 -0.23 -4.94 121.76 115.95 3i6b s ALA 145 Ca 0.48 -0.08 -0.30 0.00 0.00 0.00 0.00 51.96 52.07 3i6b s ALA 145 Cb 0.43 -3.24 -0.13 0.00 0.00 0.00 0.00 23.12 20.18 3i6b s ALA 145 CO 0.03 -3.37 1.28 1.58 0.00 0.00 0.00 175.76 175.28 3i6b n HIS 146 N -4.59 2.00 0.19 0.00 -0.00 0.07 -4.86 115.22 108.03 3i6b n HIS 146 Ca 0.05 0.54 0.15 0.00 0.46 0.00 0.00 57.72 58.92 3i6b n HIS 146 Cb 0.55 -2.40 0.77 0.00 -0.12 0.00 0.00 29.99 28.79 3i6b n HIS 146 CO 0.00 0.00 0.00 -1.35 0.46 0.00 0.00 176.34 175.45 3i6b h PRO 147 N 3.17 0.00 0.00 1.57 0.11 -1.92 -1.13 132.00 133.81 3i6b h PRO 147 Ca -0.44 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.67 3i6b h PRO 147 Cb 1.29 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.40 3i6b h PRO 147 CO 0.68 0.00 0.00 -0.07 -0.21 0.00 0.00 178.00 178.40 3i6b h LEU 148 N 0.00 0.00 0.18 2.35 3.38 -1.99 -3.28 115.31 115.95 3i6b h LEU 148 Ca 0.08 0.00 -0.31 0.00 0.09 0.00 0.00 57.88 57.75 3i6b h LEU 148 Cb 0.40 0.00 0.02 0.00 0.09 0.00 0.00 40.66 41.16 3i6b h LEU 148 CO -0.00 0.00 -1.38 0.25 0.09 0.00 0.00 178.44 177.40 3i6b h LEU 149 N 0.00 0.59 -0.32 1.67 5.85 -1.56 -3.40 115.31 118.13 3i6b h LEU 149 Ca 0.00 -0.66 0.07 0.00 0.84 0.00 0.00 57.88 58.14 3i6b h LEU 149 Cb 0.98 -0.19 -0.08 0.00 0.37 0.00 0.00 40.66 41.74 3i6b h LEU 149 CO 0.00 1.52 -0.22 0.40 -0.34 0.00 0.00 178.44 179.80 3i6b h ILE 150 N 0.10 0.40 0.00 4.05 2.04 -1.58 -1.97 117.51 120.55 3i6b h ILE 150 Ca -0.20 0.00 -0.02 0.00 1.00 0.00 0.00 64.86 65.64 3i6b h ILE 150 Cb 2.06 0.40 -0.00 0.00 -0.74 0.00 0.00 36.82 38.54 3i6b h ILE 150 CO 0.23 0.00 -0.08 -0.65 0.00 0.00 0.00 178.15 177.65 3i6b h PRO 151 N -0.19 0.00 0.00 2.37 0.11 -1.78 -2.94 132.00 129.57 3i6b h PRO 151 Ca 0.16 0.00 -0.12 0.00 0.11 0.00 0.00 66.00 66.15 3i6b h PRO 151 Cb 0.44 0.00 -0.02 0.00 0.11 0.00 0.00 31.00 31.54 3i6b h PRO 151 CO -0.43 0.08 -0.58 0.00 -0.21 0.00 0.00 178.00 176.86 3i6b h ARG 152 N 0.00 0.00 -6.91 1.05 3.08 -1.58 -3.46 114.38 106.56 3i6b h ARG 152 Ca -0.00 0.00 -0.50 0.00 0.07 0.00 0.00 59.98 59.55 3i6b h ARG 152 Cb 0.30 0.00 0.03 0.00 0.08 0.00 0.00 29.97 30.38 3i6b h ARG 152 CO 0.01 0.58 0.47 0.00 -1.07 0.00 0.00 179.97 179.96 3i6b s ALA 153 N -3.20 3.21 0.22 0.04 0.00 -1.11 -4.95 121.76 115.96 3i6b s ALA 153 Ca 0.01 0.86 -0.08 0.00 0.00 0.00 0.00 51.96 52.75 3i6b s ALA 153 Cb 0.10 -3.33 0.26 0.00 0.00 0.00 0.00 23.12 20.15 3i6b s ALA 153 CO 0.74 -0.31 1.82 -0.44 0.00 0.00 0.00 175.76 177.57 3i6b h ASP 154 N 2.95 0.62 -3.56 0.00 3.45 -1.72 -3.43 116.42 114.73 3i6b h ASP 154 Ca -0.48 0.03 -0.38 0.00 0.43 0.00 0.00 57.03 56.62 3i6b h ASP 154 Cb 1.22 -0.10 -0.33 0.00 -0.56 0.00 0.00 39.33 39.56 3i6b h ASP 154 CO 0.64 0.40 -0.77 -0.47 -1.57 0.00 0.00 179.24 177.47 3i6b s TYR 155 N -6.09 0.62 -0.21 4.55 5.04 -0.82 -4.95 117.35 115.50 3i6b s TYR 155 Ca -0.13 -0.14 -0.05 0.00 -2.44 0.00 0.00 57.07 54.30 3i6b s TYR 155 Cb 0.17 -0.55 -0.02 0.00 0.35 0.00 0.00 41.96 41.90 3i6b s TYR 155 CO 0.77 -0.14 0.01 0.08 -1.34 0.00 0.00 175.55 174.93 3i6b s VAL 156 N 0.72 3.99 0.60 3.14 1.01 -1.26 -1.23 120.40 127.37 3i6b s VAL 156 Ca -0.09 -0.30 -0.18 0.00 0.00 0.00 0.00 61.98 61.41 3i6b s VAL 156 Cb -0.12 -2.82 -0.03 0.00 0.00 0.00 0.00 36.38 33.41 3i6b s VAL 156 CO -0.00 0.41 1.16 0.42 0.00 0.00 0.00 175.10 177.09 3i6b s THR 157 N 1.16 2.91 0.24 3.92 -4.23 -0.62 -4.91 115.64 114.10 3i6b s THR 157 Ca 0.03 0.53 0.09 0.00 -1.18 0.00 0.00 61.69 61.15 3i6b s THR 157 Cb -0.14 -3.16 -0.06 0.00 1.34 0.00 0.00 72.50 70.47 3i6b s THR 157 CO 0.02 -0.16 1.54 0.03 -0.54 0.00 0.00 174.62 175.51 3i6b h ARG 158 N 0.75 0.04 -5.92 3.99 -0.00 -1.92 -3.18 114.38 108.14 3i6b h ARG 158 Ca -0.49 -0.04 -0.62 0.00 -0.50 0.00 0.00 59.98 58.33 3i6b h ARG 158 Cb 1.28 0.01 -0.06 0.00 0.00 0.00 0.00 29.97 31.20 3i6b h ARG 158 CO 0.55 0.72 -0.27 0.42 0.00 0.00 0.00 179.97 181.38 3i6b s ILE 159 N -3.47 5.15 0.52 2.04 -1.09 -1.26 -4.79 121.20 118.30 3i6b s ILE 159 Ca -0.01 0.67 -0.20 0.00 -2.23 0.00 0.00 60.65 58.87 3i6b s ILE 159 Cb 0.12 -3.63 -0.07 0.00 -1.58 0.00 0.00 42.46 37.30 3i6b s ILE 159 CO 0.78 0.58 1.08 0.00 -1.23 0.00 0.00 174.94 176.15 3i6b s ALA 160 N -1.08 2.78 0.26 9.38 0.00 -1.26 -3.37 121.76 128.47 3i6b s ALA 160 Ca 0.22 0.71 -0.30 0.00 0.00 0.00 0.00 51.96 52.59 3i6b s ALA 160 Cb -0.15 -3.31 -0.13 0.00 0.00 0.00 0.00 23.12 19.53 3i6b s ALA 160 CO 0.11 -0.55 1.32 0.41 0.00 0.00 0.00 175.76 177.06 3i6b n GLY 161 N -0.06 0.57 2.28 0.00 0.00 -1.26 -1.33 105.19 105.40 3i6b n GLY 161 Ca 0.10 0.44 0.00 0.00 0.00 0.00 0.00 46.02 46.57 3i6b n GLY 161 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3i6b n GLY 162 N 1.73 0.39 0.00 -0.02 0.00 -0.17 -4.36 105.19 102.77 3i6b n GLY 162 Ca 0.10 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.12 3i6b n GLY 162 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3i6b n ARG 163 N -2.01 1.11 0.00 1.61 5.12 -0.44 -4.45 116.66 117.60 3i6b n ARG 163 Ca 0.00 -0.91 0.00 0.00 -1.93 0.00 0.00 57.85 55.01 3i6b n ARG 163 Cb 0.12 -0.86 0.00 0.00 -1.16 0.00 0.00 32.46 30.56 3i6b n ARG 163 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 3i6b n GLY 164 N -0.23 1.67 0.29 -0.13 0.00 -1.25 -4.84 105.19 100.69 3i6b n GLY 164 Ca 0.00 0.00 -0.05 0.00 0.00 0.00 0.00 46.02 45.97 3i6b n GLY 164 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3i6b h ALA 165 N 0.00 1.07 -0.30 4.61 0.00 -1.75 -1.14 119.26 121.76 3i6b h ALA 165 Ca 0.00 -0.27 -0.14 0.00 0.00 0.00 0.00 54.91 54.49 3i6b h ALA 165 Cb 0.00 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 17.59 3i6b h ALA 165 CO 0.00 0.58 -0.40 0.28 0.00 0.00 0.00 179.25 179.71 3i6b h VAL 166 N 0.74 1.29 -0.37 0.00 2.07 -1.90 -2.20 116.25 115.89 3i6b h VAL 166 Ca 0.14 -1.57 -0.01 0.00 0.82 0.00 0.00 66.70 66.08 3i6b h VAL 166 Cb 0.48 1.48 -0.02 0.00 -1.52 0.00 0.00 31.29 31.72 3i6b h VAL 166 CO 0.02 0.51 0.19 -0.09 0.02 0.00 0.00 177.57 178.22 3i6b h ARG 167 N 0.59 0.52 -0.78 1.57 9.65 -1.75 -0.46 114.38 123.72 3i6b h ARG 167 Ca 0.05 -0.07 0.11 0.00 -1.10 0.00 0.00 59.98 58.98 3i6b h ARG 167 Cb 0.94 -0.10 -0.08 0.00 -1.39 0.00 0.00 29.97 29.34 3i6b h ARG 167 CO 0.09 0.44 0.39 1.49 2.80 0.00 0.00 179.97 185.18 3i6b h GLU 168 N 0.46 0.60 -0.27 0.20 4.81 -1.02 0.36 114.58 119.73 3i6b h GLU 168 Ca 0.13 -0.04 -0.08 0.00 -0.13 0.00 0.00 59.36 59.24 3i6b h GLU 168 Cb 0.08 -0.14 -0.01 0.00 0.63 0.00 0.00 28.75 29.32 3i6b h GLU 168 CO -0.02 0.40 -0.15 0.28 -0.73 0.00 0.00 179.01 178.79 3i6b h VAL 169 N 0.62 1.30 -0.78 0.32 2.07 -1.12 -1.01 116.25 117.65 3i6b h VAL 169 Ca 0.40 -1.26 0.02 0.00 0.82 0.00 0.00 66.70 66.68 3i6b h VAL 169 Cb 0.48 1.55 -0.04 0.00 -1.52 0.00 0.00 31.29 31.76 3i6b h VAL 169 CO -0.31 0.40 0.51 0.00 0.02 0.00 0.00 177.57 178.19 3i6b h ASP 171 N 1.01 0.96 -0.06 0.00 3.45 -0.17 -1.73 116.42 119.87 3i6b h ASP 171 Ca 0.30 -0.15 -0.01 0.00 0.43 0.00 0.00 57.03 57.61 3i6b h ASP 171 Cb -0.04 -0.25 -0.00 0.00 -0.56 0.00 0.00 39.33 38.48 3i6b h ASP 171 CO -0.09 0.87 0.02 0.25 -1.57 0.00 0.00 179.24 178.71 3i6b h LEU 172 N 1.01 0.09 -0.70 1.55 5.85 -0.68 -0.35 115.31 122.08 3i6b h LEU 172 Ca 0.23 -0.21 -0.01 0.00 0.84 0.00 0.00 57.88 58.74 3i6b h LEU 172 Cb 0.22 -0.02 -0.03 0.00 0.37 0.00 0.00 40.66 41.19 3i6b h LEU 172 CO -0.02 0.28 0.41 -0.07 -0.34 0.00 0.00 178.44 178.70 3i6b h LEU 173 N -0.10 0.85 -0.37 2.25 3.38 -1.12 -0.37 115.31 119.82 3i6b h LEU 173 Ca 0.02 -0.07 -0.14 0.00 0.09 0.00 0.00 57.88 57.78 3i6b h LEU 173 Cb 0.22 -0.21 -0.01 0.00 0.09 0.00 0.00 40.66 40.75 3i6b h LEU 173 CO -0.00 0.67 -0.30 -0.07 0.09 0.00 0.00 178.44 178.83 3i6b h LEU 174 N 0.95 0.91 -0.14 1.67 3.38 -1.29 -2.39 115.31 118.40 3i6b h LEU 174 Ca 0.25 -0.45 0.02 0.00 0.09 0.00 0.00 57.88 57.79 3i6b h LEU 174 Cb -0.01 -0.25 -0.02 0.00 0.09 0.00 0.00 40.66 40.46 3i6b h LEU 174 CO -0.05 1.17 0.01 0.25 0.09 0.00 0.00 178.44 179.92 3i6b h LEU 175 N 0.66 -0.02 -1.94 1.67 5.85 -0.80 0.30 115.31 121.04 3i6b h LEU 175 Ca 0.07 0.03 -0.02 0.00 0.84 0.00 0.00 57.88 58.80 3i6b h LEU 175 Cb 0.88 0.04 -0.00 0.00 0.37 0.00 0.00 40.66 41.95 3i6b h LEU 175 CO 0.08 0.01 -0.08 0.00 -0.34 0.00 0.00 178.44 178.11 3i6b h ALA 176 N 1.11 1.74 -0.66 1.25 0.00 -0.96 -2.20 119.26 119.54 3i6b h ALA 176 Ca 0.07 -0.07 0.00 0.00 0.00 0.00 0.00 54.91 54.90 3i6b h ALA 176 Cb 0.07 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.85 3i6b h ALA 176 CO -0.10 0.10 0.00 1.04 0.00 0.00 0.00 179.25 180.29 3i6b n GLN 177 N -4.26 2.68 -3.16 0.00 6.02 -0.91 -4.63 117.38 113.12 3i6b n GLN 177 Ca -0.03 -2.59 -0.15 0.00 -0.01 0.00 0.00 57.00 54.23 3i6b n GLN 177 Cb 0.16 -1.56 0.05 0.00 1.02 0.00 0.00 30.24 29.91 3i6b n GLN 177 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 3i6b n GLY 178 N 1.64 0.03 0.00 1.08 0.00 -0.83 -4.96 105.19 102.15 3i6b n GLY 178 Ca 0.24 -0.10 0.00 0.00 0.00 0.00 0.00 46.02 46.15 3i6b n GLY 178 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 3i6b n LYS 179 N -3.26 3.93 0.00 1.61 5.02 0.10 -5.02 118.16 120.53 3i6b n LYS 179 Ca -0.00 -0.01 0.06 0.00 -2.02 0.00 0.00 58.31 56.34 3i6b n LYS 179 Cb 0.54 -0.31 0.34 0.00 -0.02 0.00 0.00 35.03 35.58 3i6b n LYS 179 CO 0.00 0.00 0.00 -0.11 -0.52 0.00 0.00 177.40 176.77