#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 -0.11 0.06 0.00 1.04 -1.26 -0.78 113.70 112.65 3i6b s SER 7 Ca 0.00 -0.04 0.04 0.00 0.48 0.00 0.00 55.95 56.43 3i6b s SER 7 Cb 0.00 0.28 -0.03 0.00 0.10 0.00 0.00 66.02 66.37 3i6b s SER 7 CO 0.00 -0.44 -0.12 -0.76 0.98 0.00 0.00 173.24 172.89 3i6b s LEU 8 N -1.44 2.26 0.09 2.42 1.43 0.12 -4.87 118.68 118.70 3i6b s LEU 8 Ca -0.13 -0.57 -0.30 0.00 -1.03 0.00 0.00 54.13 52.09 3i6b s LEU 8 Cb -0.05 -0.43 -0.06 0.00 0.03 0.00 0.00 46.19 45.68 3i6b s LEU 8 CO 0.03 -0.09 1.08 0.00 0.23 0.00 0.00 176.35 177.59 3i6b s ALA 9 N -1.24 3.31 0.38 4.21 0.00 -1.26 -0.38 121.76 126.78 3i6b s ALA 9 Ca -0.04 0.72 0.05 0.00 0.00 0.00 0.00 51.96 52.70 3i6b s ALA 9 Cb -0.10 -3.37 -0.07 0.00 0.00 0.00 0.00 23.12 19.59 3i6b s ALA 9 CO 0.02 -0.26 0.04 0.95 0.00 0.00 0.00 175.76 176.51 3i6b s THR 10 N 0.50 1.49 -0.53 0.00 -4.23 -1.05 -4.93 115.64 106.89 3i6b s THR 10 Ca 0.53 -2.00 0.22 0.00 -1.18 0.00 0.00 61.69 59.26 3i6b s THR 10 Cb -0.26 -2.82 0.23 0.00 1.34 0.00 0.00 72.50 70.99 3i6b s THR 10 CO 0.31 0.00 1.68 0.00 -0.54 0.00 0.00 174.62 176.07 3i6b n TYR 12 N -2.16 0.00 0.00 0.00 4.02 -1.26 -5.08 117.16 112.69 3i6b n TYR 12 Ca 0.02 0.00 0.00 0.00 -0.01 0.00 0.00 57.90 57.91 3i6b n TYR 12 Cb 0.22 -0.00 0.00 0.00 -0.02 0.00 0.00 39.34 39.53 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 3.36 3.76 2.72 0.00 -0.78 -4.91 105.19 110.80 3i6b n GLY 13 Ca 0.07 -1.81 -0.39 0.00 0.00 0.00 0.00 46.02 43.89 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 -2.40 3.54 0.19 1.61 0.02 -1.26 -2.54 135.00 134.16 3i6b s PRO 14 Ca 0.00 2.15 0.07 0.00 0.02 0.00 0.00 61.00 63.24 3i6b s PRO 14 Cb 0.00 -2.46 -0.05 0.00 0.02 0.00 0.00 34.50 32.01 3i6b s PRO 14 CO 0.00 -0.84 -0.14 0.14 -0.33 0.00 0.00 177.00 175.82 3i6b s VAL 15 N -1.33 1.67 0.69 3.83 -7.23 0.49 -4.90 120.40 113.62 3i6b s VAL 15 Ca 0.65 -2.14 -0.11 0.00 -1.81 0.00 0.00 61.98 58.57 3i6b s VAL 15 Cb -0.38 -1.97 0.01 0.00 0.56 0.00 0.00 36.38 34.60 3i6b s VAL 15 CO 0.47 -0.57 1.07 -0.94 -0.31 0.00 0.00 175.10 174.81 3i6b s SER 16 N -3.18 5.30 0.37 4.85 1.04 -1.26 0.15 113.70 120.96 3i6b s SER 16 Ca 0.20 1.68 0.06 0.00 0.48 0.00 0.00 55.95 58.38 3i6b s SER 16 Cb -0.01 -2.51 0.71 0.00 0.10 0.00 0.00 66.02 64.31 3i6b s SER 16 CO 0.06 -1.50 1.92 0.00 0.98 0.00 0.00 173.24 174.70 3i6b h ALA 17 N -0.60 1.47 -0.62 5.32 0.00 -1.29 -2.75 119.26 120.79 3i6b h ALA 17 Ca -0.44 -0.17 -0.03 0.00 0.00 0.00 0.00 54.91 54.27 3i6b h ALA 17 Cb 1.22 -0.13 -0.03 0.00 0.00 0.00 0.00 17.79 18.85 3i6b h ALA 17 CO 0.56 0.38 0.28 -0.44 0.00 0.00 0.00 179.25 180.03 3i6b h ASP 18 N 0.43 0.83 -0.59 0.00 3.32 -1.93 0.05 116.42 118.53 3i6b h ASP 18 Ca 0.10 -0.15 -0.08 0.00 0.02 0.00 0.00 57.03 56.92 3i6b h ASP 18 Cb 0.27 -0.21 -0.03 0.00 0.22 0.00 0.00 39.33 39.58 3i6b h ASP 18 CO 0.01 0.75 0.08 0.58 -1.72 0.00 0.00 179.24 178.93 3i6b h VAL 19 N 0.86 1.26 -0.60 -1.35 2.07 -1.90 -1.82 116.25 114.77 3i6b h VAL 19 Ca 0.21 -1.02 -0.07 0.00 0.82 0.00 0.00 66.70 66.64 3i6b h VAL 19 Cb 0.15 0.69 -0.02 0.00 -1.52 0.00 0.00 31.29 30.59 3i6b h VAL 19 CO -0.02 0.38 0.11 0.24 0.02 0.00 0.00 177.57 178.30 3i6b h MET 20 N 0.95 0.99 -0.23 1.57 2.86 -1.18 -1.34 114.93 118.55 3i6b h MET 20 Ca 0.19 -0.26 -0.08 0.00 -2.06 0.00 0.00 59.70 57.49 3i6b h MET 20 Cb 0.44 -0.12 -0.01 0.00 0.06 0.00 0.00 31.60 31.96 3i6b h MET 20 CO 0.01 0.92 -0.20 0.00 1.06 0.00 0.00 176.91 178.71 3i6b h ALA 21 N 1.02 1.23 -0.23 6.32 0.00 -0.84 -1.11 119.26 125.65 3i6b h ALA 21 Ca 0.18 -0.30 -0.20 0.00 0.00 0.00 0.00 54.91 54.60 3i6b h ALA 21 Cb 0.40 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 18.08 3i6b h ALA 21 CO 0.01 0.50 -0.63 0.87 0.00 0.00 0.00 179.25 180.00 3i6b h LYS 22 N 0.37 0.82 -0.07 0.00 1.57 -1.19 -3.29 116.57 114.78 3i6b h LYS 22 Ca 0.06 -0.57 -0.11 0.00 -1.87 0.00 0.00 60.65 58.16 3i6b h LYS 22 Cb 0.57 0.09 -0.01 0.00 0.08 0.00 0.00 32.23 32.95 3i6b h LYS 22 CO 0.04 1.19 -0.46 0.00 -0.57 0.00 0.00 179.45 179.65 3i6b h ALA 23 N 0.67 1.09 0.00 3.86 0.00 -0.85 -2.79 119.26 121.25 3i6b h ALA 23 Ca -0.01 -0.44 -0.00 0.00 0.00 0.00 0.00 54.91 54.46 3i6b h ALA 23 Cb 1.24 -0.09 -0.00 0.00 0.00 0.00 0.00 17.79 18.95 3i6b h ALA 23 CO 0.13 0.62 -0.01 0.93 0.00 0.00 0.00 179.25 180.92 3i6b h GLU 24 N 0.14 0.00 -0.11 0.00 5.08 -1.28 -3.00 114.58 115.41 3i6b h GLU 24 Ca 0.01 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.37 3i6b h GLU 24 Cb 0.87 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.12 3i6b h GLU 24 CO 0.07 0.01 0.00 0.09 -1.00 0.00 0.00 179.01 178.18 3i6b n ASN 25 N -4.06 2.57 -4.68 1.42 3.02 -1.05 -4.82 115.26 107.66 3i6b n ASN 25 Ca -0.03 -1.84 -0.43 0.00 -0.03 0.00 0.00 54.58 52.25 3i6b n ASN 25 Cb 0.09 -0.06 -0.02 0.00 -0.61 0.00 0.00 39.78 39.18 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 -1.89 4.75 -0.24 2.41 -1.09 -1.14 -4.37 121.20 119.64 3i6b s ILE 26 Ca 0.33 2.03 0.07 0.00 -2.23 0.00 0.00 60.65 60.84 3i6b s ILE 26 Cb 0.20 -4.31 -0.08 0.00 -1.58 0.00 0.00 42.46 36.69 3i6b s ILE 26 CO 0.31 -0.05 0.26 0.54 -1.23 0.00 0.00 174.94 174.76 3i6b n ARG 27 N 5.44 3.54 -3.73 2.79 5.12 0.82 -4.86 116.66 125.77 3i6b n ARG 27 Ca 0.10 -0.02 -0.16 0.00 -1.93 0.00 0.00 57.85 55.84 3i6b n ARG 27 Cb 0.48 -0.92 -0.16 0.00 -1.16 0.00 0.00 32.46 30.70 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 -2.63 0.69 -0.27 0.55 2.96 -0.85 -1.45 118.68 117.67 3i6b s LEU 28 Ca 0.01 0.13 -0.06 0.00 -0.22 0.00 0.00 54.13 53.99 3i6b s LEU 28 Cb 0.05 0.04 0.00 0.00 0.50 0.00 0.00 46.19 46.78 3i6b s LEU 28 CO 0.29 -0.17 0.05 -0.22 -1.32 0.00 0.00 176.35 174.98 3i6b s LEU 29 N 1.45 3.58 -0.20 -0.68 2.96 0.18 -0.35 118.68 125.62 3i6b s LEU 29 Ca -0.05 -0.57 -0.08 0.00 -0.22 0.00 0.00 54.13 53.21 3i6b s LEU 29 Cb -0.12 -1.85 -0.04 0.00 0.50 0.00 0.00 46.19 44.67 3i6b s LEU 29 CO -0.04 -0.13 0.09 -0.63 -1.32 0.00 0.00 176.35 174.32 3i6b s ILE 30 N 1.51 4.90 0.07 6.68 1.01 0.69 -0.62 121.20 135.43 3i6b s ILE 30 Ca 0.04 0.01 0.09 0.00 0.00 0.00 0.00 60.65 60.79 3i6b s ILE 30 Cb -0.16 -3.24 -0.03 0.00 0.01 0.00 0.00 42.46 39.04 3i6b s ILE 30 CO 0.01 0.42 -0.24 -0.76 0.00 0.00 0.00 174.94 174.38 3i6b s LEU 31 N 0.68 2.36 0.41 2.97 1.43 -0.00 -1.75 118.68 124.78 3i6b s LEU 31 Ca 0.05 -0.58 -0.02 0.00 -1.03 0.00 0.00 54.13 52.55 3i6b s LEU 31 Cb -0.13 -1.36 -0.03 0.00 0.03 0.00 0.00 46.19 44.70 3i6b s LEU 31 CO 0.02 0.23 0.66 -1.81 0.23 0.00 0.00 176.35 175.68 3i6b s ASP 32 N -1.54 6.23 0.00 2.29 1.01 -1.21 -2.34 116.67 121.10 3i6b s ASP 32 Ca 0.13 0.63 0.00 0.00 0.71 0.00 0.00 52.55 54.02 3i6b s ASP 32 Cb -0.10 -2.07 0.00 0.00 1.01 0.00 0.00 42.92 41.76 3i6b s ASP 32 CO 0.04 -0.45 0.00 0.52 0.21 0.00 0.00 175.17 175.49 3i6b n VAL 33 N -2.01 0.00 -1.81 -1.27 0.31 -1.26 -3.06 118.33 109.23 3i6b n VAL 33 Ca -0.02 0.38 -0.42 0.00 -0.01 0.00 0.00 64.34 64.26 3i6b n VAL 33 Cb 0.56 -1.17 -0.03 0.00 -0.91 0.00 0.00 33.84 32.29 3i6b n VAL 33 CO 0.00 0.00 0.00 -1.81 -1.32 0.00 0.00 176.83 173.70 3i6b s ASP 34 N -2.64 6.46 0.00 4.52 1.01 -1.26 -1.62 116.67 123.13 3i6b s ASP 34 Ca 0.00 2.41 0.00 0.00 0.71 0.00 0.00 52.55 55.67 3i6b s ASP 34 Cb 0.00 -2.53 0.00 0.00 1.01 0.00 0.00 42.92 41.40 3i6b s ASP 34 CO 0.00 -1.08 0.00 0.61 0.21 0.00 0.00 175.17 174.91 3i6b n GLY 35 N 4.48 1.66 0.89 0.21 0.00 -1.16 -4.82 105.19 106.44 3i6b n GLY 35 Ca 0.19 0.00 -0.00 0.00 0.00 0.00 0.00 46.02 46.21 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 0.46 0.06 1.61 0.31 -0.92 -3.96 118.33 113.89 3i6b n VAL 36 Ca 0.00 0.18 -0.18 0.00 -0.01 0.00 0.00 64.34 64.33 3i6b n VAL 36 Cb 0.00 -1.29 -0.09 0.00 -0.91 0.00 0.00 33.84 31.55 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 -0.05 0.77-10.36 7.52 3.38 -1.22 -1.98 115.31 113.37 3i6b h LEU 37 Ca 0.00 -0.63 -0.45 0.00 0.09 0.00 0.00 57.88 56.90 3i6b h LEU 37 Cb 0.05 -0.24 0.02 0.00 0.09 0.00 0.00 40.66 40.58 3i6b h LEU 37 CO 0.00 1.43 -0.19 -0.94 0.09 0.00 0.00 178.44 178.83 3i6b s SER 38 N -7.23 5.82 0.00 -0.43 1.04 -0.76 -4.03 113.70 108.12 3i6b s SER 38 Ca -0.08 0.04 0.06 0.00 0.48 0.00 0.00 55.95 56.45 3i6b s SER 38 Cb 0.07 -1.31 0.36 0.00 0.10 0.00 0.00 66.02 65.24 3i6b s SER 38 CO 0.90 -0.64 0.90 -0.90 0.98 0.00 0.00 173.24 174.48 3i6b n ASP 39 N -1.92 0.00 0.00 7.02 3.85 -1.20 -2.71 116.55 121.58 3i6b n ASP 39 Ca 0.02 -1.02 0.00 0.00 -0.71 0.00 0.00 54.79 53.08 3i6b n ASP 39 Cb 0.58 0.00 0.00 0.00 -1.35 0.00 0.00 41.12 40.35 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 0.14 0.97 3.88 6.12 0.00 -1.26 -4.78 105.19 110.26 3i6b n GLY 40 Ca 0.05 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.82 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 4.07 -0.15 0.99 1.43 -1.26 -4.75 118.68 119.02 3i6b s LEU 41 Ca 0.00 -0.02 0.01 0.00 -1.03 0.00 0.00 54.13 53.09 3i6b s LEU 41 Cb 0.00 -2.64 0.02 0.00 0.03 0.00 0.00 46.19 43.60 3i6b s LEU 41 CO 0.00 0.02 -0.16 -0.51 0.23 0.00 0.00 176.35 175.93 3i6b s ILE 42 N -1.86 1.67 -0.36 -0.59 2.07 -1.26 -4.68 121.20 116.19 3i6b s ILE 42 Ca 0.33 -0.70 -0.17 0.00 -1.41 0.00 0.00 60.65 58.70 3i6b s ILE 42 Cb -0.10 -1.54 -0.00 0.00 0.13 0.00 0.00 42.46 40.95 3i6b s ILE 42 CO 0.26 0.47 0.46 -0.31 -1.91 0.00 0.00 174.94 173.92 3i6b s TYR 43 N 1.34 3.19 -0.03 3.50 1.51 -0.08 -4.96 117.35 121.81 3i6b s TYR 43 Ca 0.02 0.06 0.07 0.00 -1.01 0.00 0.00 57.07 56.21 3i6b s TYR 43 Cb -0.13 -2.85 -0.02 0.00 -0.11 0.00 0.00 41.96 38.85 3i6b s TYR 43 CO -0.09 -0.53 -0.24 -1.64 -1.11 0.00 0.00 175.55 171.94 3i6b s MET 44 N 2.26 2.10 0.42 -0.62 -1.94 -1.26 -0.45 119.30 119.80 3i6b s MET 44 Ca 0.16 -0.87 0.05 0.00 -1.71 0.00 0.00 55.69 53.32 3i6b s MET 44 Cb -0.16 -1.96 -0.06 0.00 2.01 0.00 0.00 34.83 34.66 3i6b s MET 44 CO 0.13 0.48 0.02 0.20 -0.01 0.00 0.00 175.02 175.85 3i6b s GLY 45 N -0.46 2.55 0.50 -0.03 0.00 -0.83 -4.96 107.32 104.09 3i6b s GLY 45 Ca 0.06 -1.82 0.29 0.00 0.00 0.00 0.00 44.72 43.25 3i6b s GLY 45 CO 0.00 -2.06 1.84 3.43 0.00 0.00 0.00 173.10 176.32 3i6b h ASN 46 N 1.75 0.00 0.01 1.64 2.35 -2.01 -2.07 115.58 117.25 3i6b h ASN 46 Ca -0.43 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.32 3i6b h ASN 46 Cb 1.26 0.00 0.00 0.00 0.05 0.00 0.00 38.32 39.63 3i6b h ASN 46 CO 0.76 0.04 -0.00 0.59 -1.65 0.00 0.00 177.43 177.17 3i6b n ASN 47 N -3.13 0.38 0.00 5.81 5.03 -1.26 -4.90 115.26 117.20 3i6b n ASN 47 Ca 0.02 -1.10 0.00 0.00 0.87 0.00 0.00 54.58 54.37 3i6b n ASN 47 Cb 0.40 -0.01 0.00 0.00 -1.02 0.00 0.00 39.78 39.15 3i6b n ASN 47 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 3i6b n GLY 48 N 1.05 0.62 3.70 7.41 0.00 -0.78 -5.04 105.19 112.16 3i6b n GLY 48 Ca 0.22 -0.27 -0.41 0.00 0.00 0.00 0.00 46.02 45.57 3i6b n GLY 48 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 3i6b n GLU 49 N -2.70 1.86 -3.80 1.61 4.71 -1.25 -4.78 120.64 116.29 3i6b n GLU 49 Ca 0.00 0.67 -0.27 0.00 -0.01 0.00 0.00 57.16 57.54 3i6b n GLU 49 Cb 0.00 -2.39 -0.17 0.00 -1.01 0.00 0.00 31.44 27.87 3i6b n GLU 49 CO 0.00 0.00 0.00 -2.00 0.09 0.00 0.00 177.13 175.22 3i6b s GLU 50 N -2.30 0.92 0.03 3.49 2.12 -1.26 -1.96 118.70 119.75 3i6b s GLU 50 Ca 0.63 -0.39 0.09 0.00 0.36 0.00 0.00 54.97 55.65 3i6b s GLU 50 Cb -0.49 -1.92 -0.03 0.00 0.26 0.00 0.00 34.13 31.95 3i6b s GLU 50 CO 0.57 -0.52 -0.25 -0.51 -0.54 0.00 0.00 175.26 174.01 3i6b s LEU 51 N 1.79 2.25 0.07 2.70 1.02 0.41 -4.98 118.68 121.94 3i6b s LEU 51 Ca 0.00 -0.53 0.09 0.00 0.02 0.00 0.00 54.13 53.71 3i6b s LEU 51 Cb -0.16 -1.34 -0.03 0.00 0.02 0.00 0.00 46.19 44.68 3i6b s LEU 51 CO -0.07 0.27 -0.24 -0.54 0.02 0.00 0.00 176.35 175.78 3i6b s LYS 52 N -1.18 1.51 -0.24 1.70 1.02 -1.26 -0.90 119.74 120.39 3i6b s LYS 52 Ca 0.12 -1.13 -0.10 0.00 0.02 0.00 0.00 55.97 54.88 3i6b s LYS 52 Cb -0.10 -1.76 -0.05 0.00 -0.52 0.00 0.00 37.83 35.40 3i6b s LYS 52 CO 0.02 0.44 0.15 0.00 -0.92 0.00 0.00 175.35 175.04 3i6b s ALA 53 N -0.91 3.58 0.24 5.17 0.00 -1.26 -5.06 121.76 123.52 3i6b s ALA 53 Ca 0.10 -0.90 0.08 0.00 0.00 0.00 0.00 51.96 51.25 3i6b s ALA 53 Cb -0.10 -2.30 -0.04 0.00 0.00 0.00 0.00 23.12 20.68 3i6b s ALA 53 CO 0.03 -0.20 0.05 -0.06 0.00 0.00 0.00 175.76 175.58 3i6b s PHE 54 N 1.08 2.85 -0.13 0.00 0.40 -1.26 -3.23 117.98 117.68 3i6b s PHE 54 Ca 0.07 -0.17 -0.02 0.00 -0.60 0.00 0.00 56.93 56.22 3i6b s PHE 54 Cb -0.14 -1.30 -0.02 0.00 0.51 0.00 0.00 43.02 42.07 3i6b s PHE 54 CO 0.05 0.57 -0.07 1.21 0.70 0.00 0.00 175.22 177.68 3i6b s ASN 55 N -3.55 4.55 0.46 1.36 2.47 -1.26 -5.00 114.94 113.97 3i6b s ASN 55 Ca 0.31 -0.16 0.12 0.00 0.42 0.00 0.00 52.86 53.55 3i6b s ASN 55 Cb -0.07 -1.61 1.05 0.00 -1.45 0.00 0.00 41.25 39.16 3i6b s ASN 55 CO 0.21 0.21 2.07 0.58 -3.72 0.00 0.00 177.10 176.45 3i6b h VAL 56 N 5.04 1.07 -0.92 -5.21 2.07 -1.98 -2.56 116.25 113.76 3i6b h VAL 56 Ca -0.33 -0.24 0.04 0.00 0.82 0.00 0.00 66.70 66.99 3i6b h VAL 56 Cb 1.19 0.92 -0.05 0.00 -1.52 0.00 0.00 31.29 31.83 3i6b h VAL 56 CO 0.59 0.08 0.61 -0.09 0.02 0.00 0.00 177.57 178.78 3i6b h ARG 57 N 0.19 1.12 -0.25 1.57 9.65 -1.94 -3.06 114.38 121.66 3i6b h ARG 57 Ca 0.05 -0.07 -0.17 0.00 -1.10 0.00 0.00 59.98 58.69 3i6b h ARG 57 Cb 0.07 -0.25 -0.00 0.00 -1.39 0.00 0.00 29.97 28.39 3i6b h ARG 57 CO -0.00 0.74 -0.52 -0.44 2.80 0.00 0.00 179.97 182.55 3i6b h ASP 58 N 1.16 0.79 -0.46 -3.80 3.32 -1.80 -3.25 116.42 112.37 3i6b h ASP 58 Ca 0.37 -0.41 -0.09 0.00 0.02 0.00 0.00 57.03 56.92 3i6b h ASP 58 Cb 0.02 -0.23 -0.02 0.00 0.22 0.00 0.00 39.33 39.32 3i6b h ASP 58 CO -0.11 1.16 -0.04 1.23 -1.72 0.00 0.00 179.24 179.76 3i6b h GLY 59 N 0.90 0.97 1.00 2.75 0.00 -1.59 -0.42 103.07 106.68 3i6b h GLY 59 Ca 0.02 -0.71 0.01 0.00 0.00 0.00 0.00 47.33 46.65 3i6b h GLY 59 CO 0.11 0.65 0.47 -1.82 0.00 0.00 0.00 176.54 175.95 3i6b h TYR 60 N 0.82 0.88 -0.34 5.60 5.03 -1.63 -0.88 116.97 126.45 3i6b h TYR 60 Ca 0.15 0.02 0.01 0.00 2.58 0.00 0.00 58.73 61.48 3i6b h TYR 60 Cb 0.55 -0.30 -0.02 0.00 1.55 0.00 0.00 36.73 38.51 3i6b h TYR 60 CO 0.03 0.55 0.22 0.78 -1.32 0.00 0.00 178.16 178.43 3i6b h GLY 61 N 0.95 0.48 1.00 1.82 0.00 -1.46 -2.18 103.07 103.68 3i6b h GLY 61 Ca 0.26 -0.17 -0.01 0.00 0.00 0.00 0.00 47.33 47.41 3i6b h GLY 61 CO -0.06 0.17 0.38 -2.22 0.00 0.00 0.00 176.54 174.81 3i6b h ILE 62 N 0.45 1.19 -0.38 2.60 2.04 -0.76 -0.93 117.51 121.71 3i6b h ILE 62 Ca 0.13 -0.43 -0.08 0.00 1.00 0.00 0.00 64.86 65.48 3i6b h ILE 62 Cb -0.04 0.31 -0.02 0.00 -0.74 0.00 0.00 36.82 36.33 3i6b h ILE 62 CO -0.04 0.20 -0.09 0.03 0.00 0.00 0.00 178.15 178.25 3i6b h ARG 63 N 0.88 0.66 -0.40 2.37 3.08 -1.06 -0.98 114.38 118.92 3i6b h ARG 63 Ca 0.23 -0.20 -0.07 0.00 0.07 0.00 0.00 59.98 60.01 3i6b h ARG 63 Cb -0.01 -0.07 -0.01 0.00 0.08 0.00 0.00 29.97 29.96 3i6b h ARG 63 CO -0.04 0.74 -0.04 0.00 -1.07 0.00 0.00 179.97 179.57 3i6b h ALA 65 N 0.87 0.09 -0.49 0.00 0.00 -0.84 -1.87 119.26 117.03 3i6b h ALA 65 Ca 0.11 -0.00 -0.03 0.00 0.00 0.00 0.00 54.91 54.99 3i6b h ALA 65 Cb 0.53 -0.02 -0.02 0.00 0.00 0.00 0.00 17.79 18.28 3i6b h ALA 65 CO 0.03 -0.43 0.18 -0.07 0.00 0.00 0.00 179.25 178.96 3i6b h LEU 66 N 0.09 0.64 -0.01 0.00 3.38 -1.14 -1.17 115.31 117.10 3i6b h LEU 66 Ca 0.03 -0.08 0.00 0.00 0.09 0.00 0.00 57.88 57.92 3i6b h LEU 66 Cb -0.00 -0.16 0.00 0.00 0.09 0.00 0.00 40.66 40.58 3i6b h LEU 66 CO -0.02 0.60 0.00 0.35 0.09 0.00 0.00 178.44 179.46 3i6b n THR 67 N -4.34 0.49 -1.57 0.22 -2.24 -0.88 -3.83 114.28 102.13 3i6b n THR 67 Ca 0.04 -0.22 -0.28 0.00 -2.27 0.00 0.00 64.05 61.32 3i6b n THR 67 Cb 0.17 -0.58 0.08 0.00 -2.10 0.00 0.00 70.33 67.89 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 -2.11 6.09 -2.87 3.42 7.64 -0.50 -4.92 113.62 120.37 3i6b n SER 68 Ca 0.06 -3.77 -0.22 0.00 1.01 0.00 0.00 58.87 55.95 3i6b n SER 68 Cb 0.41 -0.73 0.02 0.00 -1.01 0.00 0.00 64.21 62.90 3i6b n SER 68 CO 0.00 0.00 0.00 -0.90 -3.01 0.00 0.00 175.04 171.13 3i6b n ASP 69 N -0.88 -5.76 -4.06 6.43 5.68 -1.22 -4.98 116.55 111.76 3i6b n ASP 69 Ca 0.54 -0.20 -0.32 0.00 -0.50 0.00 0.00 54.79 54.31 3i6b n ASP 69 Cb 0.86 -4.71 -0.16 0.00 -1.14 0.00 0.00 41.12 35.97 3i6b n ASP 69 CO 0.00 0.00 0.00 -0.63 -1.33 0.00 0.00 177.20 175.24 3i6b s ILE 70 N -3.10 1.91 0.35 2.12 1.01 -0.83 -4.82 121.20 117.83 3i6b s ILE 70 Ca 0.22 -1.10 -0.26 0.00 0.00 0.00 0.00 60.65 59.51 3i6b s ILE 70 Cb -0.10 -1.88 -0.09 0.00 0.01 0.00 0.00 42.46 40.39 3i6b s ILE 70 CO 0.28 0.27 1.02 -1.61 0.00 0.00 0.00 174.94 174.90 3i6b s GLU 71 N 1.30 4.41 -0.14 2.79 0.41 -0.53 -3.16 118.70 123.77 3i6b s GLU 71 Ca -0.00 1.49 0.01 0.00 -0.41 0.00 0.00 54.97 56.06 3i6b s GLU 71 Cb -0.16 -2.76 -0.00 0.00 -1.78 0.00 0.00 34.13 29.43 3i6b s GLU 71 CO -0.09 0.08 -0.17 0.08 -0.49 0.00 0.00 175.26 174.67 3i6b s VAL 72 N -1.55 2.56 0.25 2.63 1.01 -1.26 -0.64 120.40 123.40 3i6b s VAL 72 Ca 0.52 -0.81 0.10 0.00 0.00 0.00 0.00 61.98 61.79 3i6b s VAL 72 Cb -0.22 -2.06 -0.05 0.00 0.00 0.00 0.00 36.38 34.04 3i6b s VAL 72 CO 0.28 0.53 -0.17 0.00 0.00 0.00 0.00 175.10 175.74 3i6b s ALA 73 N 0.68 2.45 -0.07 5.51 0.00 0.21 -4.36 121.76 126.19 3i6b s ALA 73 Ca -0.08 -1.80 0.01 0.00 0.00 0.00 0.00 51.96 50.09 3i6b s ALA 73 Cb -0.16 -0.16 0.02 0.00 0.00 0.00 0.00 23.12 22.82 3i6b s ALA 73 CO 0.02 0.17 -0.08 0.42 0.00 0.00 0.00 175.76 176.28 3i6b s ILE 74 N -2.72 0.89 -0.16 0.00 1.01 -0.52 -0.82 121.20 118.87 3i6b s ILE 74 Ca 0.27 -0.30 0.00 0.00 0.00 0.00 0.00 60.65 60.63 3i6b s ILE 74 Cb -0.03 -0.87 0.00 0.00 0.01 0.00 0.00 42.46 41.58 3i6b s ILE 74 CO 0.12 0.31 -0.16 -0.63 0.00 0.00 0.00 174.94 174.58 3i6b s ILE 75 N 1.02 2.51 0.01 2.92 1.01 -0.99 -0.57 121.20 127.11 3i6b s ILE 75 Ca -0.09 -0.81 0.00 0.00 0.00 0.00 0.00 60.65 59.75 3i6b s ILE 75 Cb -0.15 -2.06 -0.01 0.00 0.01 0.00 0.00 42.46 40.25 3i6b s ILE 75 CO -0.00 0.52 -0.03 0.28 0.00 0.00 0.00 174.94 175.71 3i6b s THR 76 N 0.96 0.16 -0.23 2.92 -1.32 0.27 -4.44 115.64 113.95 3i6b s THR 76 Ca -0.03 -0.57 0.25 0.00 -1.21 0.00 0.00 61.69 60.14 3i6b s THR 76 Cb -0.15 -0.23 0.33 0.00 -1.51 0.00 0.00 72.50 70.94 3i6b s THR 76 CO -0.03 -0.26 1.72 1.23 -2.21 0.00 0.00 174.62 175.06 3i6b h GLY 77 N 5.25 0.00 -0.94 6.08 0.00 -1.85 -0.72 103.07 110.89 3i6b h GLY 77 Ca -0.29 0.00 -0.62 0.00 0.00 0.00 0.00 47.33 46.41 3i6b h GLY 77 CO 0.45 0.00 -0.43 1.09 0.00 0.00 0.00 176.54 177.65 3i6b s ARG 78 N -3.35 2.22 -0.18 4.80 3.03 -1.26 -3.73 118.95 120.48 3i6b s ARG 78 Ca 0.05 -2.15 0.01 0.00 2.03 0.00 0.00 55.73 55.66 3i6b s ARG 78 Cb 0.07 -1.83 0.02 0.00 -1.03 0.00 0.00 34.95 32.18 3i6b s ARG 78 CO 0.64 -0.41 -0.19 0.15 -1.13 0.00 0.00 175.30 174.36 3i6b s LYS 79 N -4.03 3.03 -0.11 3.89 1.02 -1.26 -1.30 119.74 120.97 3i6b s LYS 79 Ca 0.23 -0.82 -0.07 0.00 0.02 0.00 0.00 55.97 55.34 3i6b s LYS 79 Cb 0.01 -2.58 0.04 0.00 -0.52 0.00 0.00 37.83 34.78 3i6b s LYS 79 CO 0.14 -0.18 0.27 0.00 -0.92 0.00 0.00 175.35 174.66 3i6b s ALA 80 N 1.23 -0.63 0.27 5.17 0.00 -1.26 -5.04 121.76 121.50 3i6b s ALA 80 Ca 0.03 0.99 -0.03 0.00 0.00 0.00 0.00 51.96 52.95 3i6b s ALA 80 Cb -0.13 -0.62 0.35 0.00 0.00 0.00 0.00 23.12 22.72 3i6b s ALA 80 CO -0.11 -0.19 1.87 -0.22 0.00 0.00 0.00 175.76 177.12 3i6b h LYS 81 N 6.84 1.05 -0.70 0.00 3.64 -1.99 -2.65 116.57 122.76 3i6b h LYS 81 Ca -0.37 -0.14 0.12 0.00 -1.27 0.00 0.00 60.65 58.99 3i6b h LYS 81 Cb 1.17 -0.20 -0.04 0.00 -0.41 0.00 0.00 32.23 32.75 3i6b h LYS 81 CO 0.36 0.80 0.46 1.37 -2.27 0.00 0.00 179.45 180.18 3i6b h LEU 82 N 1.05 0.42 -0.20 5.20 8.10 -1.96 0.32 115.31 128.24 3i6b h LEU 82 Ca 0.26 0.02 -0.20 0.00 0.11 0.00 0.00 57.88 58.07 3i6b h LEU 82 Cb 0.09 -0.07 0.01 0.00 -0.44 0.00 0.00 40.66 40.25 3i6b h LEU 82 CO -0.03 0.24 -0.65 0.58 -4.11 0.00 0.00 178.44 174.46 3i6b h VAL 83 N 0.46 1.29 -0.47 0.15 2.07 -1.91 -1.81 116.25 116.03 3i6b h VAL 83 Ca 0.33 -1.85 0.03 0.00 0.82 0.00 0.00 66.70 66.03 3i6b h VAL 83 Cb 0.66 1.88 -0.04 0.00 -1.52 0.00 0.00 31.29 32.28 3i6b h VAL 83 CO -0.10 0.59 0.25 -0.33 0.02 0.00 0.00 177.57 178.00 3i6b h GLU 84 N 0.52 0.48 -0.50 1.57 5.08 -0.92 -2.35 114.58 118.48 3i6b h GLU 84 Ca -0.03 -0.03 -0.04 0.00 -1.00 0.00 0.00 59.36 58.27 3i6b h GLU 84 Cb 1.27 -0.11 -0.02 0.00 0.50 0.00 0.00 28.75 30.39 3i6b h GLU 84 CO 0.14 0.32 0.16 -0.44 -1.00 0.00 0.00 179.01 178.19 3i6b h ASP 85 N 0.50 0.67 -0.25 1.42 3.32 -0.38 -2.18 116.42 119.51 3i6b h ASP 85 Ca 0.20 -0.09 -0.06 0.00 0.02 0.00 0.00 57.03 57.10 3i6b h ASP 85 Cb 0.08 -0.17 -0.01 0.00 0.22 0.00 0.00 39.33 39.45 3i6b h ASP 85 CO -0.13 0.63 -0.08 -0.09 -1.72 0.00 0.00 179.24 177.85 3i6b h ARG 86 N 0.71 0.50 -0.26 3.56 9.65 -1.07 -2.63 114.38 124.85 3i6b h ARG 86 Ca 0.17 -0.20 -0.02 0.00 -1.10 0.00 0.00 59.98 58.82 3i6b h ARG 86 Cb 0.20 -0.02 -0.01 0.00 -1.39 0.00 0.00 29.97 28.75 3i6b h ARG 86 CO -0.01 0.74 0.07 0.00 2.80 0.00 0.00 179.97 183.57 3i6b h ALA 88 N 0.89 0.25 -0.89 0.00 0.00 -1.44 0.22 119.26 118.30 3i6b h ALA 88 Ca 0.08 0.16 0.08 0.00 0.00 0.00 0.00 54.91 55.24 3i6b h ALA 88 Cb 0.27 0.33 -0.07 0.00 0.00 0.00 0.00 17.79 18.33 3i6b h ALA 88 CO 0.00 -0.46 0.54 1.15 0.00 0.00 0.00 179.25 180.48 3i6b h THR 89 N -0.02 0.98 0.00 0.00 2.02 -1.30 -2.94 112.91 111.66 3i6b h THR 89 Ca 0.20 -0.32 0.00 0.00 0.77 0.00 0.00 66.41 67.06 3i6b h THR 89 Cb 0.32 -0.04 0.00 0.00 -1.74 0.00 0.00 68.15 66.69 3i6b h THR 89 CO -0.43 0.17 -0.33 -0.07 0.37 0.00 0.00 175.52 175.23 3i6b h LEU 90 N 0.94 0.00 0.00 2.58 3.38 -0.27 -3.47 115.31 118.47 3i6b h LEU 90 Ca 0.41 -0.10 0.00 0.00 0.09 0.00 0.00 57.88 58.28 3i6b h LEU 90 Cb 0.29 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.04 3i6b h LEU 90 CO -0.22 0.05 0.00 0.61 0.09 0.00 0.00 178.44 178.97 3i6b n GLY 91 N 1.30 0.69 3.62 0.83 0.00 0.58 -4.65 105.19 107.56 3i6b n GLY 91 Ca 0.04 -0.36 -0.42 0.00 0.00 0.00 0.00 46.02 45.27 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 4.64 -1.83 -0.61 1.01 -0.11 -4.90 121.20 117.40 3i6b s ILE 92 Ca 0.00 1.41 0.17 0.00 0.00 0.00 0.00 60.65 62.22 3i6b s ILE 92 Cb 0.00 -4.30 0.07 0.00 0.01 0.00 0.00 42.46 38.25 3i6b s ILE 92 CO 0.00 -0.40 0.96 0.35 0.00 0.00 0.00 174.94 175.84 3i6b n THR 93 N 5.76 0.00 -3.68 2.92 -2.24 -1.26 -4.37 114.28 111.41 3i6b n THR 93 Ca 0.08 -0.42 -0.35 0.00 -2.27 0.00 0.00 64.05 61.08 3i6b n THR 93 Cb 0.48 1.28 -0.08 0.00 -2.10 0.00 0.00 70.33 69.91 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 -1.63 3.77 -0.14 4.78 3.76 -1.26 -5.04 115.29 119.52 3i6b s HIS 94 Ca 0.17 -3.00 -0.00 0.00 -0.15 0.00 0.00 55.06 52.07 3i6b s HIS 94 Cb 0.14 -3.18 -0.01 0.00 1.11 0.00 0.00 32.58 30.63 3i6b s HIS 94 CO 0.30 -0.74 -0.13 -1.17 -0.85 0.00 0.00 174.74 172.15 3i6b s LEU 95 N -1.12 2.66 -0.30 0.89 2.96 -1.26 -1.44 118.68 121.07 3i6b s LEU 95 Ca 0.25 -0.37 0.03 0.00 -0.22 0.00 0.00 54.13 53.81 3i6b s LEU 95 Cb -0.09 -1.61 0.08 0.00 0.50 0.00 0.00 46.19 45.07 3i6b s LEU 95 CO -0.11 0.13 0.00 -0.31 -1.32 0.00 0.00 176.35 174.74 3i6b s TYR 96 N 0.57 3.14 0.11 5.38 1.51 0.26 -5.00 117.35 123.32 3i6b s TYR 96 Ca -0.08 -2.47 0.04 0.00 -1.01 0.00 0.00 57.07 53.56 3i6b s TYR 96 Cb -0.16 -2.31 -0.04 0.00 -0.11 0.00 0.00 41.96 39.35 3i6b s TYR 96 CO 0.03 -0.89 0.08 -0.65 -1.11 0.00 0.00 175.55 173.01 3i6b s GLN 97 N 1.13 2.80 -1.06 -0.62 -0.21 -1.26 -0.57 119.66 119.87 3i6b s GLN 97 Ca 0.04 -0.79 -0.00 0.00 0.02 0.00 0.00 55.36 54.62 3i6b s GLN 97 Cb -0.19 -2.65 0.00 0.00 1.00 0.00 0.00 33.01 31.17 3i6b s GLN 97 CO -0.09 0.53 0.00 0.41 -2.12 0.00 0.00 175.29 174.02 3i6b n GLY 98 N 0.20 -0.14 3.44 3.09 0.00 -0.42 -4.90 105.19 106.45 3i6b n GLY 98 Ca -0.09 -0.36 -0.43 0.00 0.00 0.00 0.00 46.02 45.13 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 -4.62 3.12 -0.02 1.61 -1.52 -0.38 -4.87 119.66 112.98 3i6b s GLN 99 Ca 0.00 -0.96 -0.22 0.00 -1.95 0.00 0.00 55.36 52.23 3i6b s GLN 99 Cb -0.00 -4.27 -0.14 0.00 -0.22 0.00 0.00 33.01 28.38 3i6b s GLN 99 CO 0.00 -1.77 0.97 1.03 -0.25 0.00 0.00 175.29 175.27 3i6b h SER 100 N 9.47 -0.38 -2.70 5.90 0.87 -1.87 -3.37 113.55 121.48 3i6b h SER 100 Ca -0.27 -0.17 -0.68 0.00 -1.23 0.00 0.00 61.79 59.45 3i6b h SER 100 Cb 1.07 0.10 -0.18 0.00 -0.44 0.00 0.00 62.40 62.95 3i6b h SER 100 CO 1.17 0.07 0.51 0.21 -0.53 0.00 0.00 176.83 178.25 3i6b s ASN 101 N -5.10 6.37 0.54 6.23 3.84 -1.26 -4.92 114.94 120.64 3i6b s ASN 101 Ca -0.12 -1.59 0.32 0.00 0.21 0.00 0.00 52.86 51.68 3i6b s ASN 101 Cb 0.01 -2.37 1.46 0.00 -0.55 0.00 0.00 41.25 39.80 3i6b s ASN 101 CO 0.44 -1.17 2.03 0.11 -2.79 0.00 0.00 177.10 175.72 3i6b h LYS 102 N 9.10 0.00 -0.05 0.43 1.57 -1.95 -2.85 116.57 122.81 3i6b h LYS 102 Ca -0.11 0.00 -0.09 0.00 -1.87 0.00 0.00 60.65 58.58 3i6b h LYS 102 Cb 1.06 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 33.35 3i6b h LYS 102 CO 1.11 0.07 -0.38 -0.07 -0.57 0.00 0.00 179.45 179.61 3i6b h LEU 103 N 0.00 0.11 0.07 2.94 3.38 -1.97 -1.40 115.31 118.45 3i6b h LEU 103 Ca -0.00 -0.04 -0.00 0.00 0.09 0.00 0.00 57.88 57.93 3i6b h LEU 103 Cb 0.44 -0.03 -0.00 0.00 0.09 0.00 0.00 40.66 41.16 3i6b h LEU 103 CO 0.01 0.49 -0.05 0.40 0.09 0.00 0.00 178.44 179.38 3i6b h ILE 104 N 0.10 0.90 -0.58 1.22 1.08 -1.94 0.13 117.51 118.42 3i6b h ILE 104 Ca 0.01 0.00 -0.02 0.00 -0.39 0.00 0.00 64.86 64.46 3i6b h ILE 104 Cb 0.71 0.90 -0.03 0.00 -3.07 0.00 0.00 36.82 35.34 3i6b h ILE 104 CO 0.05 0.00 0.27 0.00 -0.69 0.00 0.00 178.15 177.79 3i6b h ALA 105 N 0.81 1.40 -0.34 1.87 0.00 -1.62 -0.55 119.26 120.82 3i6b h ALA 105 Ca -0.00 -0.12 -0.03 0.00 0.00 0.00 0.00 54.91 54.75 3i6b h ALA 105 Cb 0.10 -0.24 -0.01 0.00 0.00 0.00 0.00 17.79 17.64 3i6b h ALA 105 CO 0.00 0.47 0.10 0.35 0.00 0.00 0.00 179.25 180.17 3i6b h PHE 106 N 0.81 0.56 -0.35 0.00 3.04 -0.89 -0.55 116.94 119.56 3i6b h PHE 106 Ca 0.20 -0.06 -0.07 0.00 3.98 0.00 0.00 57.97 62.02 3i6b h PHE 106 Cb 0.09 -0.16 -0.01 0.00 2.56 0.00 0.00 35.95 38.43 3i6b h PHE 106 CO 0.01 0.56 -0.07 0.77 -2.02 0.00 0.00 178.31 177.56 3i6b h SER 107 N 0.40 0.66 -0.33 0.41 0.02 -0.41 -1.82 113.55 112.48 3i6b h SER 107 Ca 0.11 -0.35 0.06 0.00 -0.84 0.00 0.00 61.79 60.77 3i6b h SER 107 Cb 0.27 -0.18 -0.06 0.00 0.14 0.00 0.00 62.40 62.58 3i6b h SER 107 CO -0.00 0.86 -0.02 -0.78 -1.14 0.00 0.00 176.83 175.75 3i6b h ASP 108 N 0.45 -0.18 -0.71 3.07 3.58 -1.05 -1.45 116.42 120.13 3i6b h ASP 108 Ca 0.09 0.08 0.03 0.00 0.42 0.00 0.00 57.03 57.65 3i6b h ASP 108 Cb 0.56 0.15 -0.05 0.00 1.72 0.00 0.00 39.33 41.72 3i6b h ASP 108 CO 0.03 -0.05 0.44 -0.07 -2.88 0.00 0.00 179.24 176.71 3i6b h LEU 109 N 0.07 0.73 -0.60 2.28 3.38 -0.98 -0.40 115.31 119.79 3i6b h LEU 109 Ca 0.16 0.00 -0.13 0.00 0.09 0.00 0.00 57.88 58.01 3i6b h LEU 109 Cb 0.23 -0.15 -0.01 0.00 0.09 0.00 0.00 40.66 40.81 3i6b h LEU 109 CO -0.29 0.50 -0.27 -0.07 0.09 0.00 0.00 178.44 178.40 3i6b h LEU 110 N 0.87 0.84 -0.17 1.67 -0.00 -0.93 -1.98 115.31 115.60 3i6b h LEU 110 Ca 0.29 -0.33 -0.23 0.00 -0.00 0.00 0.00 57.88 57.61 3i6b h LEU 110 Cb 0.03 -0.23 0.00 0.00 -0.00 0.00 0.00 40.66 40.46 3i6b h LEU 110 CO -0.11 1.06 -0.93 -0.33 -0.00 0.00 0.00 178.44 178.13 3i6b h GLU 111 N 0.70 0.44 -0.09 1.13 4.39 -1.13 -2.12 114.58 117.90 3i6b h GLU 111 Ca 0.08 -0.46 -0.08 0.00 0.34 0.00 0.00 59.36 59.24 3i6b h GLU 111 Cb 0.81 0.13 -0.01 0.00 -0.10 0.00 0.00 28.75 29.58 3i6b h GLU 111 CO 0.07 1.12 -0.33 -0.22 -1.16 0.00 0.00 179.01 178.49 3i6b h LYS 112 N 0.25 0.17 -0.08 2.33 3.64 -0.95 -3.19 116.57 118.75 3i6b h LYS 112 Ca -0.08 -0.07 0.00 0.00 -1.27 0.00 0.00 60.65 59.23 3i6b h LYS 112 Cb 1.57 -0.01 0.00 0.00 -0.41 0.00 0.00 32.23 33.38 3i6b h LYS 112 CO 0.16 0.49 0.00 1.28 -2.27 0.00 0.00 179.45 179.11 3i6b n LEU 113 N -4.11 2.32 -3.53 5.20 4.77 -0.76 -5.01 117.00 115.89 3i6b n LEU 113 Ca -0.01 -1.14 -0.23 0.00 -0.03 0.00 0.00 56.01 54.60 3i6b n LEU 113 Cb 0.41 -0.04 0.05 0.00 -2.33 0.00 0.00 43.42 41.51 3i6b n LEU 113 CO 0.40 0.45 -0.03 0.00 -1.33 0.00 0.00 177.39 176.88 3i6b n ALA 114 N 0.80 -2.38 -2.51 -1.18 0.00 -0.96 -5.00 120.51 109.27 3i6b n ALA 114 Ca 0.09 -0.08 -0.17 0.00 0.00 0.00 0.00 53.44 53.28 3i6b n ALA 114 Cb 0.37 -4.11 -0.11 0.00 0.00 0.00 0.00 19.45 15.60 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 -3.48 1.23 0.12 0.00 1.01 -0.84 -5.07 121.20 114.17 3i6b s ILE 115 Ca 0.33 -1.66 0.02 0.00 0.00 0.00 0.00 60.65 59.34 3i6b s ILE 115 Cb -0.08 -1.45 -0.04 0.00 0.01 0.00 0.00 42.46 40.90 3i6b s ILE 115 CO 0.80 -0.43 0.24 0.00 0.00 0.00 0.00 174.94 175.55 3i6b s ALA 116 N -2.13 3.92 0.48 9.38 0.00 -1.26 -4.73 121.76 127.42 3i6b s ALA 116 Ca 0.07 -1.00 0.26 0.00 0.00 0.00 0.00 51.96 51.30 3i6b s ALA 116 Cb -0.05 -1.73 1.31 0.00 0.00 0.00 0.00 23.12 22.65 3i6b s ALA 116 CO 0.02 0.63 1.83 -1.35 0.00 0.00 0.00 175.76 176.89 3i6b h PRO 117 N 2.49 0.19 0.00 0.00 0.11 -1.97 0.64 132.00 133.45 3i6b h PRO 117 Ca -0.47 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.63 3i6b h PRO 117 Cb 1.18 -0.04 0.00 0.00 0.11 0.00 0.00 31.00 32.25 3i6b h PRO 117 CO 0.70 0.12 0.00 0.93 -0.21 0.00 0.00 178.00 179.54 3i6b h GLU 118 N 0.19 0.00 -0.39 1.05 3.07 -1.89 -1.73 114.58 114.88 3i6b h GLU 118 Ca 0.51 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 59.37 3i6b h GLU 118 Cb 1.66 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 29.57 3i6b h GLU 118 CO -0.12 0.00 0.00 0.09 -1.40 0.00 0.00 179.01 177.58 3i6b n ASN 119 N -2.95 2.26 -4.37 1.42 3.02 0.22 -4.16 115.26 110.70 3i6b n ASN 119 Ca -0.01 -1.96 -0.33 0.00 -0.03 0.00 0.00 54.58 52.26 3i6b n ASN 119 Cb 0.20 -0.26 -0.14 0.00 -0.61 0.00 0.00 39.78 38.97 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 -1.48 2.90 0.03 2.41 1.01 -0.84 -0.13 120.40 124.30 3i6b s VAL 120 Ca 0.30 -0.73 0.04 0.00 0.00 0.00 0.00 61.98 61.58 3i6b s VAL 120 Cb 0.16 -2.18 -0.04 0.00 0.00 0.00 0.00 36.38 34.32 3i6b s VAL 120 CO 0.21 0.55 -0.05 0.00 0.00 0.00 0.00 175.10 175.81 3i6b s ALA 121 N 0.07 3.10 -0.04 5.51 0.00 0.53 -0.98 121.76 129.95 3i6b s ALA 121 Ca -0.06 -1.06 -0.01 0.00 0.00 0.00 0.00 51.96 50.84 3i6b s ALA 121 Cb -0.15 -1.14 0.03 0.00 0.00 0.00 0.00 23.12 21.86 3i6b s ALA 121 CO 0.05 0.64 0.02 -0.47 0.00 0.00 0.00 175.76 176.00 3i6b s TYR 122 N -1.09 0.25 -0.26 0.00 5.04 -0.48 -0.22 117.35 120.58 3i6b s TYR 122 Ca 0.20 0.06 -0.07 0.00 -2.44 0.00 0.00 57.07 54.82 3i6b s TYR 122 Cb -0.11 -0.45 -0.01 0.00 0.35 0.00 0.00 41.96 41.73 3i6b s TYR 122 CO 0.11 -0.17 0.06 0.08 -1.34 0.00 0.00 175.55 174.29 3i6b s VAL 123 N 1.46 4.12 0.44 3.14 1.01 -0.72 -0.38 120.40 129.47 3i6b s VAL 123 Ca -0.04 -0.37 0.03 0.00 0.00 0.00 0.00 61.98 61.61 3i6b s VAL 123 Cb -0.13 -2.99 -0.02 0.00 0.00 0.00 0.00 36.38 33.24 3i6b s VAL 123 CO -0.03 0.26 0.09 -0.83 0.00 0.00 0.00 175.10 174.59 3i6b s GLY 124 N 1.57 2.74 0.00 4.51 0.00 -0.36 -3.32 107.32 112.46 3i6b s GLY 124 Ca 0.05 -0.99 0.00 0.00 0.00 0.00 0.00 44.72 43.78 3i6b s GLY 124 CO 0.03 -1.95 0.00 2.09 0.00 0.00 0.00 173.10 173.27 3i6b n ASP 125 N -1.29 0.00 -3.53 1.64 5.68 -1.26 -2.86 116.55 114.93 3i6b n ASP 125 Ca -0.10 -0.16 -0.19 0.00 -0.50 0.00 0.00 54.79 53.83 3i6b n ASP 125 Cb 0.66 0.00 -0.08 0.00 -1.14 0.00 0.00 41.12 40.55 3i6b n ASP 125 CO 0.00 0.00 0.00 -0.62 -1.33 0.00 0.00 177.20 175.25 3i6b s ASP 126 N 0.00 1.67 0.40 -1.12 -1.08 -1.26 -0.87 116.67 114.42 3i6b s ASP 126 Ca 0.00 -1.72 0.21 0.00 -0.52 0.00 0.00 52.55 50.53 3i6b s ASP 126 Cb 0.00 0.54 0.75 0.00 -1.46 0.00 0.00 42.92 42.75 3i6b s ASP 126 CO 0.00 -1.03 1.76 -0.07 0.52 0.00 0.00 175.17 176.35 3i6b h LEU 127 N 2.14 0.00 -2.64 -1.34 3.38 -1.99 -2.67 115.31 112.19 3i6b h LEU 127 Ca -0.27 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.70 3i6b h LEU 127 Cb 1.24 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.99 3i6b h LEU 127 CO 0.40 0.30 0.02 0.16 0.09 0.00 0.00 178.44 179.41 3i6b h ILE 128 N 0.00 0.32 0.00 1.22 3.07 -2.04 -1.99 117.51 118.09 3i6b h ILE 128 Ca -0.00 0.00 -0.02 0.00 1.55 0.00 0.00 64.86 66.39 3i6b h ILE 128 Cb 0.86 0.99 -0.00 0.00 -0.27 0.00 0.00 36.82 38.39 3i6b h ILE 128 CO 0.04 0.00 -0.09 0.44 -1.05 0.00 0.00 178.15 177.49 3i6b h ASP 129 N 0.00 0.00 -0.47 2.16 3.32 -1.90 -3.39 116.42 116.13 3i6b h ASP 129 Ca 0.00 0.00 -0.01 0.00 0.02 0.00 0.00 57.03 57.04 3i6b h ASP 129 Cb 0.04 0.00 -0.02 0.00 0.22 0.00 0.00 39.33 39.57 3i6b h ASP 129 CO -0.00 0.09 0.25 -0.25 -1.72 0.00 0.00 179.24 177.61 3i6b h TRP 130 N 0.00 0.66 -0.95 4.55 2.91 -1.51 -2.26 115.95 119.35 3i6b h TRP 130 Ca -0.00 -0.02 0.15 0.00 1.13 0.00 0.00 58.89 60.15 3i6b h TRP 130 Cb 0.92 -0.21 -0.08 0.00 -0.51 0.00 0.00 29.16 29.28 3i6b h TRP 130 CO 0.00 0.50 0.60 -1.35 -1.03 0.00 0.00 178.44 177.16 3i6b h PRO 131 N 0.62 0.74 -0.05 2.65 0.11 -1.79 0.18 132.00 134.46 3i6b h PRO 131 Ca 0.17 -0.04 -0.08 0.00 0.11 0.00 0.00 66.00 66.15 3i6b h PRO 131 Cb 0.07 -0.17 0.00 0.00 0.11 0.00 0.00 31.00 31.02 3i6b h PRO 131 CO -0.03 0.49 -0.27 0.28 -0.21 0.00 0.00 178.00 178.26 3i6b h VAL 132 N 0.76 1.45 -0.46 3.15 2.07 -1.82 -3.30 116.25 118.09 3i6b h VAL 132 Ca 0.49 -1.72 0.10 0.00 0.82 0.00 0.00 66.70 66.39 3i6b h VAL 132 Cb 0.75 2.41 -0.02 0.00 -1.52 0.00 0.00 31.29 32.90 3i6b h VAL 132 CO -0.26 0.49 0.32 0.24 0.02 0.00 0.00 177.57 178.38 3i6b h MET 133 N -0.26 0.20 0.00 1.57 2.86 -0.59 0.02 114.93 118.72 3i6b h MET 133 Ca -0.02 -0.01 -0.01 0.00 -2.06 0.00 0.00 59.70 57.59 3i6b h MET 133 Cb 0.93 -0.04 -0.00 0.00 0.06 0.00 0.00 31.60 32.54 3i6b h MET 133 CO 0.06 0.13 -0.07 0.93 1.06 0.00 0.00 176.91 179.02 3i6b h GLU 134 N 0.20 0.00 0.00 1.72 5.08 -0.78 -3.13 114.58 117.67 3i6b h GLU 134 Ca 0.21 0.00 -0.05 0.00 -1.00 0.00 0.00 59.36 58.52 3i6b h GLU 134 Cb 0.59 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.83 3i6b h GLU 134 CO -0.04 0.07 -1.29 1.63 -1.00 0.00 0.00 179.01 178.38 3i6b n LYS 135 N -3.77 0.62 -2.12 2.33 5.02 -0.01 -5.00 118.16 115.22 3i6b n LYS 135 Ca -0.02 0.10 -0.28 0.00 -2.02 0.00 0.00 58.31 56.09 3i6b n LYS 135 Cb 0.17 -1.77 0.06 0.00 -0.02 0.00 0.00 35.03 33.46 3i6b n LYS 135 CO 0.00 0.00 0.00 0.14 -0.52 0.00 0.00 177.40 177.02 3i6b s VAL 136 N -3.26 2.93 0.09 -0.18 -7.23 -1.18 -4.64 120.40 106.93 3i6b s VAL 136 Ca -0.02 0.05 -0.13 0.00 -1.81 0.00 0.00 61.98 60.06 3i6b s VAL 136 Cb 0.10 -3.25 -0.18 0.00 0.56 0.00 0.00 36.38 33.61 3i6b s VAL 136 CO 0.81 -0.30 1.27 1.23 -0.31 0.00 0.00 175.10 177.81 3i6b h GLY 137 N -0.58 0.84 -7.38 2.32 0.00 -0.20 -3.42 103.07 94.65 3i6b h GLY 137 Ca -0.45 -1.26 -0.57 0.00 0.00 0.00 0.00 47.33 45.05 3i6b h GLY 137 CO 0.62 1.12 -0.77 -2.27 0.00 0.00 0.00 176.54 175.24 3i6b s LEU 138 N -8.35 2.01 -0.09 3.11 2.96 -0.86 -4.93 118.68 112.53 3i6b s LEU 138 Ca -0.10 -1.18 -0.14 0.00 -0.22 0.00 0.00 54.13 52.49 3i6b s LEU 138 Cb 0.08 -0.89 -0.05 0.00 0.50 0.00 0.00 46.19 45.84 3i6b s LEU 138 CO 0.91 -0.31 0.36 -0.94 -1.32 0.00 0.00 176.35 175.04 3i6b s SER 139 N 1.62 6.62 -0.05 3.68 1.04 -1.26 -1.38 113.70 123.96 3i6b s SER 139 Ca 0.00 0.73 0.03 0.00 0.48 0.00 0.00 55.95 57.20 3i6b s SER 139 Cb -0.18 -2.22 0.00 0.00 0.10 0.00 0.00 66.02 63.73 3i6b s SER 139 CO -0.11 0.19 -0.14 -0.69 0.98 0.00 0.00 173.24 173.46 3i6b s VAL 140 N -0.21 1.25 -0.10 5.02 1.01 0.48 -1.70 120.40 126.15 3i6b s VAL 140 Ca 0.21 -0.59 -0.00 0.00 0.00 0.00 0.00 61.98 61.60 3i6b s VAL 140 Cb -0.15 -1.10 -0.03 0.00 0.00 0.00 0.00 36.38 35.11 3i6b s VAL 140 CO 0.09 0.37 -0.09 0.00 0.00 0.00 0.00 175.10 175.47 3i6b s ALA 141 N 0.30 2.86 0.72 5.51 0.00 -0.31 -1.22 121.76 129.61 3i6b s ALA 141 Ca -0.08 -0.88 -0.13 0.00 0.00 0.00 0.00 51.96 50.86 3i6b s ALA 141 Cb -0.13 -1.27 0.03 0.00 0.00 0.00 0.00 23.12 21.75 3i6b s ALA 141 CO 0.03 0.41 1.11 0.14 0.00 0.00 0.00 175.76 177.44 3i6b s VAL 142 N -0.24 3.19 0.33 0.00 -7.23 -1.14 -1.31 120.40 114.01 3i6b s VAL 142 Ca 0.03 0.48 0.07 0.00 -1.81 0.00 0.00 61.98 60.74 3i6b s VAL 142 Cb -0.13 -2.97 0.31 0.00 0.56 0.00 0.00 36.38 34.15 3i6b s VAL 142 CO 0.03 -0.41 1.86 0.00 -0.31 0.00 0.00 175.10 176.26 3i6b h ALA 143 N -0.51 1.74 -0.79 1.32 0.00 -1.55 -1.13 119.26 118.34 3i6b h ALA 143 Ca -0.45 0.02 -0.37 0.00 0.00 0.00 0.00 54.91 54.11 3i6b h ALA 143 Cb 1.24 -0.15 -0.22 0.00 0.00 0.00 0.00 17.79 18.67 3i6b h ALA 143 CO 0.52 0.02 0.40 -0.40 0.00 0.00 0.00 179.25 179.80 3i6b n ASP 144 N -4.58 3.75 -4.63 0.00 5.75 -1.26 -4.98 116.55 110.60 3i6b n ASP 144 Ca 0.18 -3.54 -0.30 0.00 -0.01 0.00 0.00 54.79 51.12 3i6b n ASP 144 Cb 0.43 -0.77 0.19 0.00 -1.03 0.00 0.00 41.12 39.94 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 -3.21 0.95 0.26 2.12 0.00 -0.43 -4.94 121.76 116.52 3i6b s ALA 145 Ca 0.54 0.34 -0.30 0.00 0.00 0.00 0.00 51.96 52.54 3i6b s ALA 145 Cb 0.45 -3.37 -0.14 0.00 0.00 0.00 0.00 23.12 20.06 3i6b s ALA 145 CO 0.09 -3.01 1.25 1.58 0.00 0.00 0.00 175.76 175.67 3i6b n HIS 146 N -4.39 1.85 -0.20 0.00 -0.00 -0.04 -4.84 115.22 107.59 3i6b n HIS 146 Ca 0.09 0.56 0.25 0.00 0.46 0.00 0.00 57.72 59.08 3i6b n HIS 146 Cb 0.53 -2.37 0.65 0.00 -0.12 0.00 0.00 29.99 28.67 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 3.19 0.14 0.00 1.57 0.11 -1.92 -1.46 132.00 133.63 3i6b h PRO 147 Ca -0.44 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.66 3i6b h PRO 147 Cb 1.30 -0.03 0.00 0.00 0.11 0.00 0.00 31.00 32.38 3i6b h PRO 147 CO 0.68 0.09 -0.18 -0.07 -0.21 0.00 0.00 178.00 178.31 3i6b h LEU 148 N 0.14 0.00 0.08 2.35 3.38 -1.99 -3.30 115.31 115.98 3i6b h LEU 148 Ca 0.44 -0.00 -0.29 0.00 0.09 0.00 0.00 57.88 58.13 3i6b h LEU 148 Cb 1.52 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 42.25 3i6b h LEU 148 CO -0.07 0.00 -1.44 0.25 0.09 0.00 0.00 178.44 177.27 3i6b h LEU 149 N 0.00 0.28 -0.53 1.67 5.85 -1.63 -3.39 115.31 117.55 3i6b h LEU 149 Ca 0.00 -0.38 0.11 0.00 0.84 0.00 0.00 57.88 58.45 3i6b h LEU 149 Cb 0.99 -0.09 -0.10 0.00 0.37 0.00 0.00 40.66 41.83 3i6b h LEU 149 CO 0.00 1.31 -0.18 0.40 -0.34 0.00 0.00 178.44 179.63 3i6b h ILE 150 N 0.05 0.38 0.00 4.05 2.04 -1.60 -2.13 117.51 120.30 3i6b h ILE 150 Ca -0.20 0.00 -0.01 0.00 1.00 0.00 0.00 64.86 65.65 3i6b h ILE 150 Cb 1.97 0.38 -0.00 0.00 -0.74 0.00 0.00 36.82 38.43 3i6b h ILE 150 CO 0.15 0.00 -0.06 -0.65 0.00 0.00 0.00 178.15 177.59 3i6b h PRO 151 N -0.06 0.00 0.00 2.37 0.11 -1.76 -3.10 132.00 129.57 3i6b h PRO 151 Ca 0.25 0.00 -0.14 0.00 0.11 0.00 0.00 66.00 66.23 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 -0.58 0.06 -0.65 0.00 -0.21 0.00 0.00 178.00 176.62 3i6b h ARG 152 N 0.00 0.00 -6.97 1.05 3.08 -1.61 -3.47 114.38 106.46 3i6b h ARG 152 Ca -0.00 0.00 -0.49 0.00 0.07 0.00 0.00 59.98 59.56 3i6b h ARG 152 Cb 0.45 0.00 0.02 0.00 0.08 0.00 0.00 29.97 30.52 3i6b h ARG 152 CO 0.01 0.65 0.42 0.00 -1.07 0.00 0.00 179.97 179.98 3i6b s ALA 153 N -2.99 3.07 0.23 0.04 0.00 -1.17 -4.96 121.76 115.97 3i6b s ALA 153 Ca 0.02 0.73 -0.09 0.00 0.00 0.00 0.00 51.96 52.63 3i6b s ALA 153 Cb 0.09 -3.29 0.20 0.00 0.00 0.00 0.00 23.12 20.12 3i6b s ALA 153 CO 0.76 -0.28 1.90 -0.44 0.00 0.00 0.00 175.76 177.70 3i6b h ASP 154 N 2.41 0.97 -3.60 0.00 3.45 -1.67 -3.43 116.42 114.55 3i6b h ASP 154 Ca -0.48 -0.02 -0.39 0.00 0.43 0.00 0.00 57.03 56.56 3i6b h ASP 154 Cb 1.22 -0.24 -0.32 0.00 -0.56 0.00 0.00 39.33 39.43 3i6b h ASP 154 CO 0.62 0.70 -0.77 -0.47 -1.57 0.00 0.00 179.24 177.75 3i6b s TYR 155 N -6.13 0.67 -0.19 4.55 5.04 -0.75 -4.95 117.35 115.60 3i6b s TYR 155 Ca -0.13 -0.16 -0.06 0.00 -2.44 0.00 0.00 57.07 54.28 3i6b s TYR 155 Cb 0.16 -0.56 -0.03 0.00 0.35 0.00 0.00 41.96 41.88 3i6b s TYR 155 CO 0.79 -0.13 0.02 0.08 -1.34 0.00 0.00 175.55 174.97 3i6b s VAL 156 N 0.60 4.20 0.63 3.14 1.01 -1.26 -1.17 120.40 127.56 3i6b s VAL 156 Ca -0.08 -0.23 -0.15 0.00 0.00 0.00 0.00 61.98 61.52 3i6b s VAL 156 Cb -0.11 -2.90 -0.02 0.00 0.00 0.00 0.00 36.38 33.36 3i6b s VAL 156 CO 0.00 0.44 1.07 0.42 0.00 0.00 0.00 175.10 177.03 3i6b s THR 157 N 0.78 3.67 -0.09 3.92 -4.23 -0.43 -4.93 115.64 114.34 3i6b s THR 157 Ca 0.01 0.74 0.13 0.00 -1.18 0.00 0.00 61.69 61.39 3i6b s THR 157 Cb -0.14 -3.29 -0.02 0.00 1.34 0.00 0.00 72.50 70.39 3i6b s THR 157 CO 0.02 -0.52 1.36 0.03 -0.54 0.00 0.00 174.62 174.97 3i6b h ARG 158 N 0.11 0.00 -5.83 3.99 -0.00 -1.92 -3.23 114.38 107.51 3i6b h ARG 158 Ca -0.46 0.00 -0.64 0.00 -0.50 0.00 0.00 59.98 58.38 3i6b h ARG 158 Cb 1.23 0.00 -0.06 0.00 0.00 0.00 0.00 29.97 31.14 3i6b h ARG 158 CO 0.56 0.61 -0.36 0.42 0.00 0.00 0.00 179.97 181.20 3i6b s ILE 159 N -2.89 5.30 0.63 2.04 -1.09 -1.26 -4.81 121.20 119.12 3i6b s ILE 159 Ca 0.03 0.41 -0.12 0.00 -2.23 0.00 0.00 60.65 58.74 3i6b s ILE 159 Cb 0.08 -3.54 -0.02 0.00 -1.58 0.00 0.00 42.46 37.40 3i6b s ILE 159 CO 0.77 0.55 1.04 0.00 -1.23 0.00 0.00 174.94 176.07 3i6b s ALA 160 N -1.11 2.86 0.28 9.38 0.00 -1.26 -3.01 121.76 128.90 3i6b s ALA 160 Ca 0.21 0.10 -0.29 0.00 0.00 0.00 0.00 51.96 51.98 3i6b s ALA 160 Cb -0.14 -3.15 -0.14 0.00 0.00 0.00 0.00 23.12 19.69 3i6b s ALA 160 CO 0.10 -0.87 1.11 0.41 0.00 0.00 0.00 175.76 176.50 3i6b n GLY 161 N -1.97 0.01 3.03 0.00 0.00 -1.25 -1.73 105.19 103.28 3i6b n GLY 161 Ca 0.07 0.36 0.00 0.00 0.00 0.00 0.00 46.02 46.45 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 1.30 0.43 0.11 -0.02 0.00 -0.74 -4.36 105.19 101.91 3i6b n GLY 162 Ca 0.09 0.00 0.01 0.00 0.00 0.00 0.00 46.02 46.13 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 -1.65 -0.14 0.00 1.61 5.12 -0.70 -4.43 116.66 116.47 3i6b n ARG 163 Ca 0.00 -0.79 0.00 0.00 -1.93 0.00 0.00 57.85 55.13 3i6b n ARG 163 Cb 0.10 -1.05 0.00 0.00 -1.16 0.00 0.00 32.46 30.34 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 0.10 1.64 0.30 -0.13 0.00 -1.24 -4.87 105.19 100.99 3i6b n GLY 164 Ca 0.02 0.00 -0.08 0.00 0.00 0.00 0.00 46.02 45.96 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 0.86 -0.50 4.61 0.00 -1.76 -1.59 119.26 120.88 3i6b h ALA 165 Ca 0.00 -0.22 -0.07 0.00 0.00 0.00 0.00 54.91 54.62 3i6b h ALA 165 Cb 0.00 -0.25 -0.02 0.00 0.00 0.00 0.00 17.79 17.52 3i6b h ALA 165 CO 0.00 0.54 0.04 0.28 0.00 0.00 0.00 179.25 180.11 3i6b h VAL 166 N 0.95 1.26 -0.58 0.00 2.07 -1.89 -1.94 116.25 116.11 3i6b h VAL 166 Ca 0.21 -1.02 0.09 0.00 0.82 0.00 0.00 66.70 66.80 3i6b h VAL 166 Cb 0.32 0.93 -0.07 0.00 -1.52 0.00 0.00 31.29 30.95 3i6b h VAL 166 CO -0.00 0.36 0.20 -0.09 0.02 0.00 0.00 177.57 178.06 3i6b h ARG 167 N 0.74 0.36 -0.60 1.57 9.65 -1.76 0.59 114.38 124.93 3i6b h ARG 167 Ca 0.15 -0.02 0.09 0.00 -1.10 0.00 0.00 59.98 59.09 3i6b h ARG 167 Cb 0.47 -0.08 -0.07 0.00 -1.39 0.00 0.00 29.97 28.90 3i6b h ARG 167 CO 0.02 0.24 0.23 1.49 2.80 0.00 0.00 179.97 184.75 3i6b h GLU 168 N 0.37 0.40 -0.40 0.20 4.81 -0.75 0.34 114.58 119.56 3i6b h GLU 168 Ca 0.29 -0.02 -0.10 0.00 -0.13 0.00 0.00 59.36 59.40 3i6b h GLU 168 Cb 0.37 -0.09 -0.01 0.00 0.63 0.00 0.00 28.75 29.65 3i6b h GLU 168 CO -0.31 0.27 -0.15 0.28 -0.73 0.00 0.00 179.01 178.37 3i6b h VAL 169 N 0.42 1.28 0.01 0.32 2.07 -0.60 -0.84 116.25 118.91 3i6b h VAL 169 Ca 0.30 -1.26 -0.00 0.00 0.82 0.00 0.00 66.70 66.55 3i6b h VAL 169 Cb 0.35 1.26 0.00 0.00 -1.52 0.00 0.00 31.29 31.38 3i6b h VAL 169 CO -0.29 0.42 -0.01 0.00 0.02 0.00 0.00 177.57 177.71 3i6b h ASP 171 N -0.05 0.62 -0.13 0.00 3.45 -0.23 -1.35 116.42 118.74 3i6b h ASP 171 Ca -0.00 0.09 -0.02 0.00 0.43 0.00 0.00 57.03 57.53 3i6b h ASP 171 Cb 0.04 -0.01 -0.00 0.00 -0.56 0.00 0.00 39.33 38.80 3i6b h ASP 171 CO 0.00 0.24 0.01 0.25 -1.57 0.00 0.00 179.24 178.17 3i6b h LEU 172 N 0.68 0.21 -0.47 1.55 5.85 -0.72 -1.55 115.31 120.86 3i6b h LEU 172 Ca 0.50 -0.30 -0.02 0.00 0.84 0.00 0.00 57.88 58.90 3i6b h LEU 172 Cb 0.73 -0.06 -0.02 0.00 0.37 0.00 0.00 40.66 41.69 3i6b h LEU 172 CO -0.37 0.46 0.20 -0.07 -0.34 0.00 0.00 178.44 178.32 3i6b h LEU 173 N -0.04 0.64 -0.37 2.25 3.38 -0.79 -1.12 115.31 119.26 3i6b h LEU 173 Ca 0.04 -0.15 -0.03 0.00 0.09 0.00 0.00 57.88 57.82 3i6b h LEU 173 Cb 0.34 -0.17 -0.02 0.00 0.09 0.00 0.00 40.66 40.91 3i6b h LEU 173 CO 0.01 0.62 0.10 -0.07 0.09 0.00 0.00 178.44 179.18 3i6b h LEU 174 N 0.62 0.56 -0.35 1.67 3.38 -1.27 -2.00 115.31 117.92 3i6b h LEU 174 Ca 0.16 -0.22 0.05 0.00 0.09 0.00 0.00 57.88 57.96 3i6b h LEU 174 Cb 0.16 -0.15 -0.05 0.00 0.09 0.00 0.00 40.66 40.72 3i6b h LEU 174 CO -0.02 0.63 0.07 0.25 0.09 0.00 0.00 178.44 179.47 3i6b h LEU 175 N 0.45 0.02 -1.78 1.67 5.85 -1.12 0.16 115.31 120.57 3i6b h LEU 175 Ca 0.12 0.06 -0.02 0.00 0.84 0.00 0.00 57.88 58.87 3i6b h LEU 175 Cb 0.29 0.08 -0.00 0.00 0.37 0.00 0.00 40.66 41.39 3i6b h LEU 175 CO -0.00 0.05 -0.11 0.00 -0.34 0.00 0.00 178.44 178.03 3i6b h ALA 176 N 1.26 1.81 -0.72 1.25 0.00 -1.04 -2.60 119.26 119.22 3i6b h ALA 176 Ca 0.17 -0.10 0.00 0.00 0.00 0.00 0.00 54.91 54.97 3i6b h ALA 176 Cb 0.19 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 17.96 3i6b h ALA 176 CO -0.22 0.14 0.00 1.04 0.00 0.00 0.00 179.25 180.21 3i6b n GLN 177 N -4.40 3.05 -1.78 0.00 6.02 -0.71 -4.56 117.38 115.01 3i6b n GLN 177 Ca -0.03 -2.76 -0.11 0.00 -0.01 0.00 0.00 57.00 54.10 3i6b n GLN 177 Cb 0.19 -1.68 -0.02 0.00 1.02 0.00 0.00 30.24 29.74 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 1.52 0.54 0.64 1.08 0.00 -0.65 -4.94 105.19 103.38 3i6b n GLY 178 Ca 0.25 -0.48 0.06 0.00 0.00 0.00 0.00 46.02 45.86 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 -2.35 1.41 0.00 1.61 5.02 0.48 -5.01 118.16 119.32 3i6b n LYS 179 Ca -0.12 -3.12 0.10 0.00 -2.02 0.00 0.00 58.31 53.15 3i6b n LYS 179 Cb 0.48 -1.45 0.08 0.00 -0.02 0.00 0.00 35.03 34.12 3i6b n LYS 179 CO 0.00 0.00 0.00 -0.11 -0.52 0.00 0.00 177.40 176.77