#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 -0.44 -0.01 0.00 1.04 -1.26 -0.77 113.70 112.26 3i6b s SER 7 Ca 0.00 0.99 0.08 0.00 0.48 0.00 0.00 55.95 57.50 3i6b s SER 7 Cb 0.00 1.10 -0.02 0.00 0.10 0.00 0.00 66.02 67.20 3i6b s SER 7 CO 0.00 -0.21 -0.26 -0.76 0.98 0.00 0.00 173.24 172.99 3i6b s LEU 8 N 1.98 2.07 0.07 2.42 1.43 0.11 -4.92 118.68 121.84 3i6b s LEU 8 Ca -0.06 -0.48 -0.30 0.00 -1.03 0.00 0.00 54.13 52.26 3i6b s LEU 8 Cb -0.10 -1.31 -0.05 0.00 0.03 0.00 0.00 46.19 44.75 3i6b s LEU 8 CO -0.13 0.31 1.14 0.00 0.23 0.00 0.00 176.35 177.89 3i6b s ALA 9 N -0.63 3.34 0.33 4.21 0.00 -1.26 -0.27 121.76 127.49 3i6b s ALA 9 Ca 0.10 0.79 0.07 0.00 0.00 0.00 0.00 51.96 52.92 3i6b s ALA 9 Cb -0.10 -3.41 -0.06 0.00 0.00 0.00 0.00 23.12 19.55 3i6b s ALA 9 CO -0.01 -0.36 -0.03 0.95 0.00 0.00 0.00 175.76 176.31 3i6b s THR 10 N 0.82 1.79 -1.58 0.00 -4.23 -0.87 -4.91 115.64 106.65 3i6b s THR 10 Ca 0.56 -2.10 0.14 0.00 -1.18 0.00 0.00 61.69 59.11 3i6b s THR 10 Cb -0.28 -2.67 0.29 0.00 1.34 0.00 0.00 72.50 71.18 3i6b s THR 10 CO 0.30 -0.17 1.34 0.00 -0.54 0.00 0.00 174.62 175.56 3i6b n TYR 12 N -1.21 0.10 0.00 0.00 4.02 -1.26 -5.09 117.16 113.72 3i6b n TYR 12 Ca 0.08 -0.07 0.00 0.00 -0.01 0.00 0.00 57.90 57.90 3i6b n TYR 12 Cb 0.09 -0.00 0.00 0.00 -0.02 0.00 0.00 39.34 39.41 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 0.98 2.25 3.77 2.72 0.00 -0.28 -4.91 105.19 109.71 3i6b n GLY 13 Ca 0.11 -2.14 -0.40 0.00 0.00 0.00 0.00 46.02 43.60 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 -1.92 4.26 0.20 1.61 0.02 -1.26 -2.05 135.00 135.86 3i6b s PRO 14 Ca 0.00 2.00 0.11 0.00 0.02 0.00 0.00 61.00 63.13 3i6b s PRO 14 Cb 0.00 -2.92 -0.04 0.00 0.02 0.00 0.00 34.50 31.55 3i6b s PRO 14 CO 0.00 -0.19 -0.22 0.14 -0.33 0.00 0.00 177.00 176.40 3i6b s VAL 15 N -1.25 2.44 0.63 3.83 -7.23 0.63 -4.89 120.40 114.56 3i6b s VAL 15 Ca 0.52 -2.04 -0.15 0.00 -1.81 0.00 0.00 61.98 58.49 3i6b s VAL 15 Cb -0.35 -2.19 -0.02 0.00 0.56 0.00 0.00 36.38 34.39 3i6b s VAL 15 CO 0.45 -0.15 1.09 -0.94 -0.31 0.00 0.00 175.10 175.24 3i6b s SER 16 N -2.78 5.39 0.44 4.85 1.04 -1.26 0.05 113.70 121.43 3i6b s SER 16 Ca 0.22 1.92 0.20 0.00 0.48 0.00 0.00 55.95 58.77 3i6b s SER 16 Cb -0.08 -2.54 1.01 0.00 0.10 0.00 0.00 66.02 64.51 3i6b s SER 16 CO 0.11 -1.44 1.91 0.00 0.98 0.00 0.00 173.24 174.80 3i6b h ALA 17 N 0.18 1.28 -0.28 5.32 0.00 -1.31 -1.88 119.26 122.58 3i6b h ALA 17 Ca -0.47 -0.24 -0.03 0.00 0.00 0.00 0.00 54.91 54.18 3i6b h ALA 17 Cb 1.24 -0.04 -0.01 0.00 0.00 0.00 0.00 17.79 18.97 3i6b h ALA 17 CO 0.55 0.32 0.05 0.22 0.00 0.00 0.00 179.25 180.40 3i6b h ASP 18 N 0.00 0.43 -0.72 0.00 3.58 -1.92 0.31 116.42 118.09 3i6b h ASP 18 Ca -0.00 -0.25 0.00 0.00 0.42 0.00 0.00 57.03 57.20 3i6b h ASP 18 Cb 0.57 -0.11 -0.04 0.00 1.72 0.00 0.00 39.33 41.47 3i6b h ASP 18 CO 0.03 0.57 0.46 0.58 -2.88 0.00 0.00 179.24 178.00 3i6b h VAL 19 N 0.27 1.20 -0.44 2.25 2.07 -1.86 -1.04 116.25 118.70 3i6b h VAL 19 Ca 0.08 -0.40 -0.14 0.00 0.82 0.00 0.00 66.70 67.07 3i6b h VAL 19 Cb 0.32 0.16 -0.01 0.00 -1.52 0.00 0.00 31.29 30.23 3i6b h VAL 19 CO 0.00 0.20 -0.26 -0.03 0.02 0.00 0.00 177.57 177.50 3i6b h MET 20 N 0.98 0.94 -0.46 1.57 1.85 -1.10 -0.56 114.93 118.15 3i6b h MET 20 Ca 0.26 -0.42 -0.01 0.00 -0.61 0.00 0.00 59.70 58.92 3i6b h MET 20 Cb -0.07 -0.02 -0.02 0.00 0.43 0.00 0.00 31.60 31.91 3i6b h MET 20 CO -0.05 1.08 0.23 0.00 -0.40 0.00 0.00 176.91 177.76 3i6b h ALA 21 N 0.90 0.59 -0.57 0.39 0.00 -0.24 -2.13 119.26 118.20 3i6b h ALA 21 Ca 0.10 -0.11 0.03 0.00 0.00 0.00 0.00 54.91 54.93 3i6b h ALA 21 Cb 0.83 -0.18 -0.04 0.00 0.00 0.00 0.00 17.79 18.40 3i6b h ALA 21 CO 0.07 0.14 0.34 0.87 0.00 0.00 0.00 179.25 180.68 3i6b h LYS 22 N 0.60 0.66 -0.18 0.00 1.57 -0.98 -2.90 116.57 115.34 3i6b h LYS 22 Ca 0.16 -0.04 -0.06 0.00 -1.87 0.00 0.00 60.65 58.83 3i6b h LYS 22 Cb 0.10 -0.15 -0.01 0.00 0.08 0.00 0.00 32.23 32.25 3i6b h LYS 22 CO -0.02 0.44 -0.18 0.00 -0.57 0.00 0.00 179.45 179.12 3i6b h ALA 23 N 1.25 1.38 -0.20 3.86 0.00 -0.90 -2.58 119.26 122.07 3i6b h ALA 23 Ca 0.23 -0.26 -0.00 0.00 0.00 0.00 0.00 54.91 54.88 3i6b h ALA 23 Cb 0.03 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 17.71 3i6b h ALA 23 CO -0.10 0.43 0.11 1.49 0.00 0.00 0.00 179.25 181.18 3i6b h GLU 24 N 0.28 0.27 -0.04 0.00 4.22 -1.17 -2.69 114.58 115.44 3i6b h GLU 24 Ca 0.05 -0.02 0.00 0.00 0.08 0.00 0.00 59.36 59.47 3i6b h GLU 24 Cb 0.48 -0.06 0.00 0.00 0.50 0.00 0.00 28.75 29.67 3i6b h GLU 24 CO 0.03 0.20 0.00 0.09 -2.18 0.00 0.00 179.01 177.15 3i6b n ASN 25 N -4.49 0.99 -4.69 1.04 5.03 -0.97 -4.78 115.26 107.39 3i6b n ASN 25 Ca -0.00 -1.40 -0.42 0.00 0.87 0.00 0.00 54.58 53.62 3i6b n ASN 25 Cb 0.09 -0.02 -0.03 0.00 -1.02 0.00 0.00 39.78 38.81 3i6b n ASN 25 CO 0.00 0.00 0.00 -0.63 -1.83 0.00 0.00 177.26 174.80 3i6b s ILE 26 N -1.96 4.75 -0.07 2.41 -1.09 -1.02 -4.39 121.20 119.83 3i6b s ILE 26 Ca 0.38 2.01 0.05 0.00 -2.23 0.00 0.00 60.65 60.86 3i6b s ILE 26 Cb 0.20 -4.29 -0.07 0.00 -1.58 0.00 0.00 42.46 36.72 3i6b s ILE 26 CO 0.32 0.01 0.13 0.54 -1.23 0.00 0.00 174.94 174.71 3i6b n ARG 27 N 4.99 1.68 -3.88 2.79 5.12 0.11 -4.91 116.66 122.56 3i6b n ARG 27 Ca 0.09 -0.03 -0.23 0.00 -1.93 0.00 0.00 57.85 55.75 3i6b n ARG 27 Cb 0.49 -1.00 -0.17 0.00 -1.16 0.00 0.00 32.46 30.62 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 -3.01 0.84 -0.24 0.55 2.96 -0.79 -1.68 118.68 117.31 3i6b s LEU 28 Ca -0.01 -0.13 -0.08 0.00 -0.22 0.00 0.00 54.13 53.69 3i6b s LEU 28 Cb 0.03 -0.50 -0.04 0.00 0.50 0.00 0.00 46.19 46.18 3i6b s LEU 28 CO 0.19 -0.15 0.10 -0.22 -1.32 0.00 0.00 176.35 174.95 3i6b s LEU 29 N 1.70 3.68 -0.10 -0.68 2.96 0.43 -0.37 118.68 126.30 3i6b s LEU 29 Ca 0.01 -0.08 -0.01 0.00 -0.22 0.00 0.00 54.13 53.84 3i6b s LEU 29 Cb -0.13 -1.98 -0.03 0.00 0.50 0.00 0.00 46.19 44.55 3i6b s LEU 29 CO -0.05 0.02 -0.05 -0.63 -1.32 0.00 0.00 176.35 174.32 3i6b s ILE 30 N 1.29 3.79 0.02 6.68 1.01 0.10 -0.66 121.20 133.43 3i6b s ILE 30 Ca 0.05 -0.43 0.06 0.00 0.00 0.00 0.00 60.65 60.33 3i6b s ILE 30 Cb -0.15 -2.59 -0.02 0.00 0.01 0.00 0.00 42.46 39.71 3i6b s ILE 30 CO 0.04 0.56 -0.17 -0.76 0.00 0.00 0.00 174.94 174.62 3i6b s LEU 31 N -0.38 2.12 0.85 2.97 1.43 -0.44 -1.01 118.68 124.22 3i6b s LEU 31 Ca 0.06 -0.41 -0.11 0.00 -1.03 0.00 0.00 54.13 52.63 3i6b s LEU 31 Cb -0.12 -0.80 0.10 0.00 0.03 0.00 0.00 46.19 45.40 3i6b s LEU 31 CO 0.02 0.13 1.09 -1.81 0.23 0.00 0.00 176.35 176.02 3i6b s ASP 32 N -0.85 3.94 -0.05 2.29 1.11 -1.02 -2.07 116.67 120.02 3i6b s ASP 32 Ca 0.05 1.42 -0.04 0.00 0.18 0.00 0.00 52.55 54.17 3i6b s ASP 32 Cb -0.07 -2.13 -0.01 0.00 1.07 0.00 0.00 42.92 41.78 3i6b s ASP 32 CO 0.01 -2.33 -0.07 0.52 1.18 0.00 0.00 175.17 174.47 3i6b n VAL 33 N -3.68 0.46 -2.38 -1.27 0.31 -1.26 -3.89 118.33 106.62 3i6b n VAL 33 Ca 0.07 0.40 -0.43 0.00 -0.01 0.00 0.00 64.34 64.38 3i6b n VAL 33 Cb 0.56 -1.78 -0.02 0.00 -0.91 0.00 0.00 33.84 31.68 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 -4.33 6.91 0.00 4.52 1.01 -1.26 -0.32 116.67 123.20 3i6b s ASP 34 Ca -0.06 1.75 0.00 0.00 0.71 0.00 0.00 52.55 54.96 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 0.09 -0.78 0.00 0.61 0.21 0.00 0.00 175.17 175.30 3i6b n GLY 35 N 3.67 1.07 1.15 0.21 0.00 -0.89 -4.82 105.19 105.58 3i6b n GLY 35 Ca 0.14 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.16 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 1.10 0.12 1.61 0.31 -0.91 -3.98 118.33 114.59 3i6b n VAL 36 Ca 0.00 0.37 0.03 0.00 -0.01 0.00 0.00 64.34 64.73 3i6b n VAL 36 Cb 0.00 -1.48 0.01 0.00 -0.91 0.00 0.00 33.84 31.46 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 0.00 -9.73 7.52 3.38 -0.79 -0.61 115.31 115.08 3i6b h LEU 37 Ca 0.00 0.00 -0.63 0.00 0.09 0.00 0.00 57.88 57.34 3i6b h LEU 37 Cb 0.01 0.00 -0.13 0.00 0.09 0.00 0.00 40.66 40.62 3i6b h LEU 37 CO 0.00 0.46 -0.57 -0.94 0.09 0.00 0.00 178.44 177.48 3i6b s SER 38 N -6.26 3.78 0.00 -0.43 1.04 -0.83 -3.67 113.70 107.34 3i6b s SER 38 Ca 0.03 -1.47 0.26 0.00 0.48 0.00 0.00 55.95 55.24 3i6b s SER 38 Cb 0.08 -0.04 1.25 0.00 0.10 0.00 0.00 66.02 67.40 3i6b s SER 38 CO 0.76 -0.61 1.84 -0.90 0.98 0.00 0.00 173.24 175.30 3i6b n ASP 39 N -1.05 0.82 0.00 7.02 3.85 -1.25 -2.10 116.55 123.83 3i6b n ASP 39 Ca -0.09 -1.38 0.00 0.00 -0.71 0.00 0.00 54.79 52.61 3i6b n ASP 39 Cb 0.67 -0.02 0.00 0.00 -1.35 0.00 0.00 41.12 40.42 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 1.04 1.82 3.76 6.12 0.00 -1.26 -4.62 105.19 112.04 3i6b n GLY 40 Ca 0.19 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.81 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 4.57 -0.23 0.99 1.43 -1.26 -4.81 118.68 119.36 3i6b s LEU 41 Ca 0.00 1.71 -0.00 0.00 -1.03 0.00 0.00 54.13 54.81 3i6b s LEU 41 Cb 0.00 -3.41 0.03 0.00 0.03 0.00 0.00 46.19 42.85 3i6b s LEU 41 CO 0.00 0.12 -0.11 -0.63 0.23 0.00 0.00 176.35 175.96 3i6b s ILE 42 N -0.78 2.52 -0.13 -0.59 -1.09 -1.26 -4.67 121.20 115.21 3i6b s ILE 42 Ca 0.39 -1.12 -0.21 0.00 -2.23 0.00 0.00 60.65 57.49 3i6b s ILE 42 Cb -0.23 -2.26 -0.03 0.00 -1.58 0.00 0.00 42.46 38.35 3i6b s ILE 42 CO 0.28 0.25 0.59 -0.31 -1.23 0.00 0.00 174.94 174.52 3i6b s TYR 43 N 1.27 3.49 -0.03 3.97 1.51 -0.97 -4.96 117.35 121.62 3i6b s TYR 43 Ca -0.00 1.01 0.03 0.00 -1.01 0.00 0.00 57.07 57.09 3i6b s TYR 43 Cb -0.16 -2.71 0.00 0.00 -0.11 0.00 0.00 41.96 38.98 3i6b s TYR 43 CO -0.07 0.03 -0.10 -1.64 -1.11 0.00 0.00 175.55 172.66 3i6b s MET 44 N 1.10 1.06 0.45 -0.62 -1.94 -1.26 -1.15 119.30 116.94 3i6b s MET 44 Ca 0.30 -0.35 0.07 0.00 -1.71 0.00 0.00 55.69 54.00 3i6b s MET 44 Cb -0.16 -0.98 -0.02 0.00 2.01 0.00 0.00 34.83 35.67 3i6b s MET 44 CO 0.13 0.14 0.27 0.20 -0.01 0.00 0.00 175.02 175.75 3i6b s GLY 45 N 0.13 2.33 0.00 -0.03 0.00 0.66 -4.99 107.32 105.42 3i6b s GLY 45 Ca -0.02 -1.78 0.25 0.00 0.00 0.00 0.00 44.72 43.17 3i6b s GLY 45 CO 0.01 -1.88 1.84 0.70 0.00 0.00 0.00 173.10 173.76 3i6b n ASN 46 N -1.44 0.00 -3.22 1.64 3.02 -1.26 -3.48 115.26 110.52 3i6b n ASN 46 Ca -0.01 0.19 -0.24 0.00 -0.03 0.00 0.00 54.58 54.49 3i6b n ASN 46 Cb 0.64 -0.38 -0.07 0.00 -0.61 0.00 0.00 39.78 39.36 3i6b n ASN 46 CO 0.00 0.00 0.00 -0.46 -2.62 0.00 0.00 177.26 174.18 3i6b n ASN 47 N -1.38 0.94 0.00 6.41 2.04 -1.26 -4.99 115.26 117.02 3i6b n ASN 47 Ca 0.09 -2.87 0.00 0.00 -0.44 0.00 0.00 54.58 51.36 3i6b n ASN 47 Cb 0.24 -0.64 0.00 0.00 -2.53 0.00 0.00 39.78 36.85 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 1.16 2.09 3.70 4.83 0.00 -1.23 -4.98 105.19 110.76 3i6b n GLY 48 Ca 0.23 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.83 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 -0.01 4.16 -0.04 1.61 8.01 -1.26 -4.85 118.70 126.32 3i6b s GLU 49 Ca 0.00 2.50 0.01 0.00 0.01 0.00 0.00 54.97 57.50 3i6b s GLU 49 Cb 0.00 -3.42 0.02 0.00 -4.31 0.00 0.00 34.13 26.42 3i6b s GLU 49 CO 0.00 -0.76 -0.06 -2.00 0.01 0.00 0.00 175.26 172.45 3i6b s GLU 50 N 2.13 0.94 0.16 1.61 2.12 -1.26 -0.24 118.70 124.16 3i6b s GLU 50 Ca 0.76 -0.17 0.09 0.00 0.36 0.00 0.00 54.97 56.02 3i6b s GLU 50 Cb -0.45 -0.89 -0.04 0.00 0.26 0.00 0.00 34.13 33.01 3i6b s GLU 50 CO 0.34 -0.03 -0.20 -0.51 -0.54 0.00 0.00 175.26 174.31 3i6b s LEU 51 N 0.75 2.41 0.04 2.70 1.43 -0.30 -4.99 118.68 120.72 3i6b s LEU 51 Ca -0.11 -0.83 0.02 0.00 -1.03 0.00 0.00 54.13 52.18 3i6b s LEU 51 Cb -0.14 -0.93 -0.02 0.00 0.03 0.00 0.00 46.19 45.13 3i6b s LEU 51 CO 0.01 0.02 -0.08 -0.75 0.23 0.00 0.00 176.35 175.78 3i6b s LYS 52 N -2.62 0.53 -0.28 1.70 2.20 -1.26 -2.30 119.74 117.71 3i6b s LYS 52 Ca 0.16 -0.75 -0.08 0.00 -0.36 0.00 0.00 55.97 54.94 3i6b s LYS 52 Cb -0.07 -0.29 -0.01 0.00 -1.51 0.00 0.00 37.83 35.95 3i6b s LYS 52 CO 0.07 0.05 0.09 0.00 -0.36 0.00 0.00 175.35 175.20 3i6b s ALA 53 N -1.38 3.15 0.14 3.13 0.00 -1.26 -5.09 121.76 120.45 3i6b s ALA 53 Ca -0.10 -1.31 0.03 0.00 0.00 0.00 0.00 51.96 50.58 3i6b s ALA 53 Cb -0.10 -2.17 -0.04 0.00 0.00 0.00 0.00 23.12 20.81 3i6b s ALA 53 CO 0.00 -0.75 0.23 -0.06 0.00 0.00 0.00 175.76 175.19 3i6b s PHE 54 N 1.57 3.39 -0.15 0.00 0.40 -1.26 -4.29 117.98 117.64 3i6b s PHE 54 Ca 0.05 0.10 -0.17 0.00 -0.60 0.00 0.00 56.93 56.31 3i6b s PHE 54 Cb -0.16 -1.64 -0.04 0.00 0.51 0.00 0.00 43.02 41.69 3i6b s PHE 54 CO 0.04 0.53 0.42 1.21 0.70 0.00 0.00 175.22 178.11 3i6b s ASN 55 N -3.07 6.56 0.29 1.36 2.47 -1.24 -4.99 114.94 116.32 3i6b s ASN 55 Ca 0.33 0.66 0.12 0.00 0.42 0.00 0.00 52.86 54.40 3i6b s ASN 55 Cb -0.11 -2.25 0.40 0.00 -1.45 0.00 0.00 41.25 37.84 3i6b s ASN 55 CO 0.27 -0.01 1.63 -0.37 -3.72 0.00 0.00 177.10 174.90 3i6b h VAL 56 N 4.81 1.32 -0.06 -5.21 -1.51 -1.96 -3.06 116.25 110.57 3i6b h VAL 56 Ca -0.39 -2.03 -0.11 0.00 -1.23 0.00 0.00 66.70 62.93 3i6b h VAL 56 Cb 1.17 2.12 -0.01 0.00 -2.13 0.00 0.00 31.29 32.44 3i6b h VAL 56 CO 0.75 0.56 -0.48 0.03 -1.23 0.00 0.00 177.57 177.21 3i6b h ARG 57 N 0.00 0.15 -0.56 5.19 3.08 -1.97 -2.37 114.38 117.90 3i6b h ARG 57 Ca -0.01 -0.08 -0.02 0.00 0.07 0.00 0.00 59.98 59.95 3i6b h ARG 57 Cb 1.08 0.00 -0.03 0.00 0.08 0.00 0.00 29.97 31.10 3i6b h ARG 57 CO 0.07 0.60 0.28 -0.44 -1.07 0.00 0.00 179.97 179.41 3i6b h ASP 58 N 0.12 0.69 -0.72 7.04 3.32 -1.89 -2.64 116.42 122.34 3i6b h ASP 58 Ca 0.01 -0.06 -0.06 0.00 0.02 0.00 0.00 57.03 56.94 3i6b h ASP 58 Cb 0.89 -0.18 -0.03 0.00 0.22 0.00 0.00 39.33 40.23 3i6b h ASP 58 CO 0.07 0.58 0.21 1.23 -1.72 0.00 0.00 179.24 179.61 3i6b h GLY 59 N 0.86 1.21 1.04 2.75 0.00 -1.39 0.85 103.07 108.39 3i6b h GLY 59 Ca 0.20 -0.73 -0.07 0.00 0.00 0.00 0.00 47.33 46.72 3i6b h GLY 59 CO -0.03 0.69 0.08 -1.82 0.00 0.00 0.00 176.54 175.46 3i6b h TYR 60 N 1.07 1.05 -0.40 5.60 3.20 -1.42 -0.03 116.97 126.06 3i6b h TYR 60 Ca 0.23 -0.15 0.05 0.00 3.14 0.00 0.00 58.73 62.00 3i6b h TYR 60 Cb 0.33 -0.29 -0.05 0.00 1.54 0.00 0.00 36.73 38.26 3i6b h TYR 60 CO 0.03 0.92 0.11 0.78 -1.64 0.00 0.00 178.16 178.35 3i6b h GLY 61 N 0.89 0.49 0.87 1.82 0.00 -1.04 -0.23 103.07 105.86 3i6b h GLY 61 Ca 0.18 -0.05 -0.03 0.00 0.00 0.00 0.00 47.33 47.43 3i6b h GLY 61 CO 0.01 -0.00 0.05 -2.22 0.00 0.00 0.00 176.54 174.38 3i6b h ILE 62 N 0.25 1.22 -0.70 2.60 2.04 -0.55 -1.34 117.51 121.04 3i6b h ILE 62 Ca 0.19 -0.75 0.11 0.00 1.00 0.00 0.00 64.86 65.41 3i6b h ILE 62 Cb 0.20 1.22 -0.08 0.00 -0.74 0.00 0.00 36.82 37.42 3i6b h ILE 62 CO -0.22 0.24 0.30 0.03 0.00 0.00 0.00 178.15 178.50 3i6b h ARG 63 N 0.24 0.48 -0.38 2.37 2.47 -0.85 -1.16 114.38 117.55 3i6b h ARG 63 Ca 0.08 -0.03 -0.04 0.00 -1.26 0.00 0.00 59.98 58.73 3i6b h ARG 63 Cb 0.31 -0.11 -0.02 0.00 -1.65 0.00 0.00 29.97 28.51 3i6b h ARG 63 CO 0.00 0.32 0.08 0.00 0.56 0.00 0.00 179.97 180.93 3i6b h ALA 65 N 0.93 0.55 -0.49 0.00 0.00 -0.97 -1.98 119.26 117.30 3i6b h ALA 65 Ca 0.12 -0.03 -0.03 0.00 0.00 0.00 0.00 54.91 54.97 3i6b h ALA 65 Cb 0.33 -0.17 -0.02 0.00 0.00 0.00 0.00 17.79 17.93 3i6b h ALA 65 CO 0.00 -0.01 0.17 -0.07 0.00 0.00 0.00 179.25 179.34 3i6b h LEU 66 N 0.57 0.69 0.00 0.00 3.38 -1.09 -1.15 115.31 117.71 3i6b h LEU 66 Ca 0.16 -0.19 0.00 0.00 0.09 0.00 0.00 57.88 57.94 3i6b h LEU 66 Cb -0.06 -0.18 0.00 0.00 0.09 0.00 0.00 40.66 40.51 3i6b h LEU 66 CO -0.04 0.70 0.00 0.35 0.09 0.00 0.00 178.44 179.54 3i6b n THR 67 N -4.54 0.34 -1.34 0.22 -2.24 -0.76 -3.21 114.28 102.75 3i6b n THR 67 Ca 0.01 0.09 -0.04 0.00 -2.27 0.00 0.00 64.05 61.84 3i6b n THR 67 Cb 0.18 -0.73 0.21 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 -1.30 2.89 -1.29 3.42 7.64 -0.63 -4.95 113.62 119.39 3i6b n SER 68 Ca 0.10 -3.61 -0.14 0.00 1.01 0.00 0.00 58.87 56.23 3i6b n SER 68 Cb 0.18 -0.64 -0.03 0.00 -1.01 0.00 0.00 64.21 62.70 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 -1.00 -4.45 -4.19 6.43 5.68 -1.18 -4.99 116.55 112.86 3i6b n ASP 69 Ca 0.34 0.17 -0.35 0.00 -0.50 0.00 0.00 54.79 54.45 3i6b n ASP 69 Cb 1.08 -3.38 -0.14 0.00 -1.14 0.00 0.00 41.12 37.55 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 -2.59 3.06 0.41 2.12 1.01 -0.53 -4.89 121.20 119.78 3i6b s ILE 70 Ca 0.00 -1.33 -0.26 0.00 0.00 0.00 0.00 60.65 59.06 3i6b s ILE 70 Cb 0.00 -2.74 -0.08 0.00 0.01 0.00 0.00 42.46 39.64 3i6b s ILE 70 CO 0.00 -0.09 1.24 -1.61 0.00 0.00 0.00 174.94 174.48 3i6b s GLU 71 N 1.27 3.99 -0.12 2.79 0.41 -0.67 -3.43 118.70 122.94 3i6b s GLU 71 Ca -0.05 2.00 0.03 0.00 -0.41 0.00 0.00 54.97 56.54 3i6b s GLU 71 Cb -0.20 -2.71 0.01 0.00 -1.78 0.00 0.00 34.13 29.46 3i6b s GLU 71 CO -0.01 -0.42 -0.20 0.08 -0.49 0.00 0.00 175.26 174.22 3i6b s VAL 72 N -1.33 1.86 0.19 2.63 1.01 -1.26 -0.43 120.40 123.07 3i6b s VAL 72 Ca 0.57 -0.87 0.08 0.00 0.00 0.00 0.00 61.98 61.77 3i6b s VAL 72 Cb -0.35 -1.65 -0.04 0.00 0.00 0.00 0.00 36.38 34.34 3i6b s VAL 72 CO 0.44 0.51 -0.17 0.00 0.00 0.00 0.00 175.10 175.89 3i6b s ALA 73 N 0.76 2.06 -0.07 5.51 0.00 0.16 -4.32 121.76 125.86 3i6b s ALA 73 Ca -0.10 -1.59 0.01 0.00 0.00 0.00 0.00 51.96 50.28 3i6b s ALA 73 Cb -0.16 -0.14 0.02 0.00 0.00 0.00 0.00 23.12 22.83 3i6b s ALA 73 CO 0.01 0.16 -0.10 0.42 0.00 0.00 0.00 175.76 176.25 3i6b s ILE 74 N -2.51 1.02 -0.25 0.00 1.01 0.57 -1.33 121.20 119.71 3i6b s ILE 74 Ca 0.20 -0.38 0.03 0.00 0.00 0.00 0.00 60.65 60.49 3i6b s ILE 74 Cb -0.03 -0.96 0.06 0.00 0.01 0.00 0.00 42.46 41.53 3i6b s ILE 74 CO 0.07 0.34 -0.11 -0.63 0.00 0.00 0.00 174.94 174.62 3i6b s ILE 75 N 0.93 2.07 0.10 2.92 1.01 -0.88 0.45 121.20 127.80 3i6b s ILE 75 Ca -0.10 -1.55 0.07 0.00 0.00 0.00 0.00 60.65 59.08 3i6b s ILE 75 Cb -0.15 -2.19 -0.03 0.00 0.01 0.00 0.00 42.46 40.10 3i6b s ILE 75 CO 0.01 -0.02 -0.19 0.28 0.00 0.00 0.00 174.94 175.02 3i6b s THR 76 N 1.15 1.59 -0.55 2.92 -1.32 0.90 -4.47 115.64 115.85 3i6b s THR 76 Ca -0.08 -1.55 0.24 0.00 -1.21 0.00 0.00 61.69 59.09 3i6b s THR 76 Cb -0.20 -1.50 0.27 0.00 -1.51 0.00 0.00 72.50 69.57 3i6b s THR 76 CO -0.05 -0.14 1.61 1.23 -2.21 0.00 0.00 174.62 175.05 3i6b h GLY 77 N 3.99 0.00 -3.48 6.08 0.00 -1.85 0.16 103.07 107.97 3i6b h GLY 77 Ca -0.44 0.00 -0.50 0.00 0.00 0.00 0.00 47.33 46.39 3i6b h GLY 77 CO 0.42 0.00 -0.47 0.50 0.00 0.00 0.00 176.54 176.99 3i6b s ARG 78 N -3.18 3.32 -0.18 4.80 0.52 -1.26 -3.68 118.95 119.29 3i6b s ARG 78 Ca 0.08 -0.76 -0.02 0.00 -0.52 0.00 0.00 55.73 54.51 3i6b s ARG 78 Cb 0.09 -2.85 -0.00 0.00 0.52 0.00 0.00 34.95 32.70 3i6b s ARG 78 CO 0.65 0.46 -0.11 0.15 0.02 0.00 0.00 175.30 176.48 3i6b s LYS 79 N -3.65 3.29 -0.18 3.54 1.02 -1.26 -2.36 119.74 120.14 3i6b s LYS 79 Ca 0.34 -0.69 -0.10 0.00 0.02 0.00 0.00 55.97 55.53 3i6b s LYS 79 Cb -0.10 -2.79 0.06 0.00 -0.52 0.00 0.00 37.83 34.48 3i6b s LYS 79 CO 0.28 -0.07 0.44 0.00 -0.92 0.00 0.00 175.35 175.08 3i6b s ALA 80 N 1.08 -1.14 0.49 5.17 0.00 -1.26 -5.03 121.76 121.07 3i6b s ALA 80 Ca 0.00 1.60 0.19 0.00 0.00 0.00 0.00 51.96 53.75 3i6b s ALA 80 Cb -0.15 -0.96 1.27 0.00 0.00 0.00 0.00 23.12 23.28 3i6b s ALA 80 CO -0.02 -0.27 2.09 0.87 0.00 0.00 0.00 175.76 178.42 3i6b h LYS 81 N 6.96 0.00 -0.08 0.00 1.57 -1.99 -2.37 116.57 120.67 3i6b h LYS 81 Ca -0.35 0.00 -0.08 0.00 -1.87 0.00 0.00 60.65 58.35 3i6b h LYS 81 Cb 1.19 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 33.49 3i6b h LYS 81 CO 0.28 0.10 -0.32 1.37 -0.57 0.00 0.00 179.45 180.30 3i6b h LEU 82 N 0.00 0.15 -0.22 2.94 8.10 -1.96 0.10 115.31 124.43 3i6b h LEU 82 Ca -0.00 -0.05 -0.21 0.00 0.11 0.00 0.00 57.88 57.73 3i6b h LEU 82 Cb 0.19 -0.04 0.01 0.00 -0.44 0.00 0.00 40.66 40.37 3i6b h LEU 82 CO 0.01 0.47 -0.76 0.58 -4.11 0.00 0.00 178.44 174.64 3i6b h VAL 83 N 0.13 1.30 -0.67 0.15 2.07 -1.86 -0.66 116.25 116.70 3i6b h VAL 83 Ca 0.02 -1.99 0.00 0.00 0.82 0.00 0.00 66.70 65.55 3i6b h VAL 83 Cb 0.63 1.98 -0.03 0.00 -1.52 0.00 0.00 31.29 32.35 3i6b h VAL 83 CO 0.05 0.63 0.43 -0.33 0.02 0.00 0.00 177.57 178.36 3i6b h GLU 84 N 0.50 0.90 -0.33 1.57 5.08 -1.18 -1.18 114.58 119.94 3i6b h GLU 84 Ca -0.04 -0.06 -0.01 0.00 -1.00 0.00 0.00 59.36 58.24 3i6b h GLU 84 Cb 1.37 -0.20 -0.02 0.00 0.50 0.00 0.00 28.75 30.41 3i6b h GLU 84 CO 0.15 0.61 0.17 -0.44 -1.00 0.00 0.00 179.01 178.51 3i6b h ASP 85 N 0.92 0.42 -0.14 1.42 3.32 -0.72 -0.81 116.42 120.83 3i6b h ASP 85 Ca 0.25 -0.11 -0.00 0.00 0.02 0.00 0.00 57.03 57.19 3i6b h ASP 85 Cb -0.08 -0.11 -0.01 0.00 0.22 0.00 0.00 39.33 39.36 3i6b h ASP 85 CO -0.05 0.41 0.08 -0.09 -1.72 0.00 0.00 179.24 177.87 3i6b h ARG 86 N 0.41 0.18 -0.55 3.56 9.65 -0.89 -0.45 114.38 126.30 3i6b h ARG 86 Ca 0.12 -0.02 0.03 0.00 -1.10 0.00 0.00 59.98 59.00 3i6b h ARG 86 Cb 0.09 -0.04 -0.04 0.00 -1.39 0.00 0.00 29.97 28.60 3i6b h ARG 86 CO -0.02 0.17 0.33 0.00 2.80 0.00 0.00 179.97 183.25 3i6b h ALA 88 N 1.24 1.19 0.00 0.00 0.00 -0.87 0.38 119.26 121.20 3i6b h ALA 88 Ca 0.22 -0.33 -0.13 0.00 0.00 0.00 0.00 54.91 54.67 3i6b h ALA 88 Cb 0.02 -0.11 -0.02 0.00 0.00 0.00 0.00 17.79 17.68 3i6b h ALA 88 CO -0.10 0.52 -0.62 1.79 0.00 0.00 0.00 179.25 180.85 3i6b h THR 89 N 0.34 1.37 0.00 0.00 1.35 -0.90 -3.26 112.91 111.81 3i6b h THR 89 Ca 0.05 -2.16 0.00 0.00 -0.55 0.00 0.00 66.41 63.75 3i6b h THR 89 Cb 0.64 2.19 0.00 0.00 -1.73 0.00 0.00 68.15 69.24 3i6b h THR 89 CO 0.05 0.60 -1.04 0.18 -0.25 0.00 0.00 175.52 175.06 3i6b n LEU 90 N -3.70 0.63 0.00 3.87 4.77 -0.82 -4.98 117.00 116.77 3i6b n LEU 90 Ca -0.01 0.11 0.00 0.00 -0.03 0.00 0.00 56.01 56.09 3i6b n LEU 90 Cb 0.63 -0.09 0.00 0.00 -2.33 0.00 0.00 43.42 41.63 3i6b n LEU 90 CO 0.42 -0.04 0.00 0.61 -1.33 0.00 0.00 177.39 177.05 3i6b n GLY 91 N 1.30 0.73 3.69 -0.72 0.00 -0.06 -4.74 105.19 105.39 3i6b n GLY 91 Ca 0.01 -0.35 -0.42 0.00 0.00 0.00 0.00 46.02 45.26 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 4.82 -0.19 -0.61 1.01 -0.15 -4.94 121.20 119.14 3i6b s ILE 92 Ca 0.00 1.91 0.03 0.00 0.00 0.00 0.00 60.65 62.59 3i6b s ILE 92 Cb 0.00 -4.26 -0.13 0.00 0.01 0.00 0.00 42.46 38.08 3i6b s ILE 92 CO 0.00 0.03 -0.15 0.35 0.00 0.00 0.00 174.94 175.17 3i6b n THR 93 N 4.54 1.10 -1.92 2.92 -2.24 -1.26 -4.32 114.28 113.11 3i6b n THR 93 Ca 0.07 -0.45 -0.39 0.00 -2.27 0.00 0.00 64.05 61.01 3i6b n THR 93 Cb 0.49 -1.12 -0.03 0.00 -2.10 0.00 0.00 70.33 67.57 3i6b n THR 93 CO 0.00 0.00 0.00 1.41 -0.57 0.00 0.00 175.07 175.91 3i6b n HIS 94 N -3.01 3.23 -3.94 4.78 8.25 -1.26 -4.91 115.22 118.36 3i6b n HIS 94 Ca -0.33 -2.25 -0.35 0.00 -0.26 0.00 0.00 57.72 54.53 3i6b n HIS 94 Cb 0.88 -2.39 -0.09 0.00 1.12 0.00 0.00 29.99 29.51 3i6b n HIS 94 CO 0.00 0.00 0.00 -1.17 0.64 0.00 0.00 176.34 175.81 3i6b s LEU 95 N 4.93 3.94 -0.22 2.41 2.96 -1.26 -0.31 118.68 131.12 3i6b s LEU 95 Ca 0.57 0.14 0.01 0.00 -0.22 0.00 0.00 54.13 54.64 3i6b s LEU 95 Cb 0.07 -2.00 0.05 0.00 0.50 0.00 0.00 46.19 44.82 3i6b s LEU 95 CO 0.07 0.20 -0.07 -0.31 -1.32 0.00 0.00 176.35 174.91 3i6b s TYR 96 N 0.23 2.45 0.16 5.38 1.51 0.17 -4.96 117.35 122.31 3i6b s TYR 96 Ca 0.05 -1.73 0.06 0.00 -1.01 0.00 0.00 57.07 54.44 3i6b s TYR 96 Cb -0.12 -1.62 -0.04 0.00 -0.11 0.00 0.00 41.96 40.07 3i6b s TYR 96 CO -0.00 -0.77 0.08 -0.65 -1.11 0.00 0.00 175.55 173.10 3i6b s GLN 97 N 1.38 2.70 -1.51 -0.62 -0.21 -1.26 -0.07 119.66 120.06 3i6b s GLN 97 Ca -0.04 -0.95 -0.02 0.00 0.02 0.00 0.00 55.36 54.37 3i6b s GLN 97 Cb -0.18 -2.54 0.00 0.00 1.00 0.00 0.00 33.01 31.30 3i6b s GLN 97 CO -0.07 0.48 0.25 0.41 -2.12 0.00 0.00 175.29 174.24 3i6b n GLY 98 N -0.19 -0.40 3.55 3.09 0.00 -0.53 -4.92 105.19 105.78 3i6b n GLY 98 Ca -0.09 -0.03 -0.42 0.00 0.00 0.00 0.00 46.02 45.47 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 -5.23 3.52 -0.12 1.61 -1.52 -0.07 -4.91 119.66 112.93 3i6b s GLN 99 Ca 0.13 -0.06 -0.13 0.00 -1.95 0.00 0.00 55.36 53.35 3i6b s GLN 99 Cb -0.06 -3.88 -0.12 0.00 -0.22 0.00 0.00 33.01 28.73 3i6b s GLN 99 CO 0.16 -0.93 0.36 0.66 -0.25 0.00 0.00 175.29 175.29 3i6b h SER 100 N 8.71 -0.00 -3.13 5.90 4.64 -1.87 -3.32 113.55 124.48 3i6b h SER 100 Ca -0.25 -0.46 -0.70 0.00 -0.47 0.00 0.00 61.79 59.90 3i6b h SER 100 Cb 1.10 0.00 -0.20 0.00 -0.31 0.00 0.00 62.40 62.99 3i6b h SER 100 CO 0.90 0.73 -0.01 0.21 -0.87 0.00 0.00 176.83 177.79 3i6b s ASN 101 N -5.86 6.20 0.00 4.97 2.47 -1.26 -4.95 114.94 116.51 3i6b s ASN 101 Ca -0.09 -1.22 0.13 0.00 0.42 0.00 0.00 52.86 52.10 3i6b s ASN 101 Cb -0.01 -2.27 0.59 0.00 -1.45 0.00 0.00 41.25 38.10 3i6b s ASN 101 CO 0.32 -0.93 1.39 0.29 -3.72 0.00 0.00 177.10 174.45 3i6b n LYS 102 N 6.01 0.07 0.17 0.43 5.02 -1.26 -2.91 118.16 125.69 3i6b n LYS 102 Ca -0.09 0.24 0.01 0.00 -2.02 0.00 0.00 58.31 56.45 3i6b n LYS 102 Cb 0.44 -1.50 0.29 0.00 -0.02 0.00 0.00 35.03 34.24 3i6b n LYS 102 CO 0.00 0.00 0.00 -0.07 -0.52 0.00 0.00 177.40 176.81 3i6b h LEU 103 N 0.00 0.00 0.13 -0.35 3.38 -1.94 -2.81 115.31 113.72 3i6b h LEU 103 Ca 0.00 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 57.96 3i6b h LEU 103 Cb 0.19 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.94 3i6b h LEU 103 CO 0.00 0.46 -0.06 0.40 0.09 0.00 0.00 178.44 179.33 3i6b h ILE 104 N 0.00 0.99 -0.80 1.22 2.04 -1.97 -1.95 117.51 117.03 3i6b h ILE 104 Ca -0.00 -0.50 -0.04 0.00 1.00 0.00 0.00 64.86 65.32 3i6b h ILE 104 Cb 0.82 1.30 -0.04 0.00 -0.74 0.00 0.00 36.82 38.16 3i6b h ILE 104 CO 0.06 0.12 0.35 0.00 0.00 0.00 0.00 178.15 178.68 3i6b h ALA 105 N 0.41 1.10 -0.29 1.87 0.00 -1.77 -1.32 119.26 119.26 3i6b h ALA 105 Ca -0.02 -0.18 0.04 0.00 0.00 0.00 0.00 54.91 54.76 3i6b h ALA 105 Cb 0.33 -0.32 -0.04 0.00 0.00 0.00 0.00 17.79 17.77 3i6b h ALA 105 CO 0.03 0.66 0.05 0.35 0.00 0.00 0.00 179.25 180.33 3i6b h PHE 106 N 1.16 0.08 -0.65 0.00 3.04 -1.45 0.10 116.94 119.22 3i6b h PHE 106 Ca 0.27 0.02 -0.09 0.00 3.98 0.00 0.00 57.97 62.16 3i6b h PHE 106 Cb 0.17 0.01 -0.03 0.00 2.56 0.00 0.00 35.95 38.67 3i6b h PHE 106 CO 0.02 0.01 0.07 0.77 -2.02 0.00 0.00 178.31 177.16 3i6b h SER 107 N 0.15 1.06 -0.38 0.41 0.02 -1.14 -1.70 113.55 111.98 3i6b h SER 107 Ca 0.14 -0.27 0.04 0.00 -0.84 0.00 0.00 61.79 60.85 3i6b h SER 107 Cb 0.15 -0.28 -0.04 0.00 0.14 0.00 0.00 62.40 62.37 3i6b h SER 107 CO -0.19 1.07 0.16 -0.78 -1.14 0.00 0.00 176.83 175.95 3i6b h ASP 108 N 1.02 0.21 -0.47 3.07 3.58 -0.90 -2.49 116.42 120.44 3i6b h ASP 108 Ca 0.20 0.03 -0.01 0.00 0.42 0.00 0.00 57.03 57.67 3i6b h ASP 108 Cb 0.48 -0.00 -0.02 0.00 1.72 0.00 0.00 39.33 41.50 3i6b h ASP 108 CO 0.02 0.16 0.25 -0.07 -2.88 0.00 0.00 179.24 176.72 3i6b h LEU 109 N 0.34 0.59 -0.96 2.28 3.38 -0.53 -1.09 115.31 119.31 3i6b h LEU 109 Ca 0.17 -0.09 0.09 0.00 0.09 0.00 0.00 57.88 58.13 3i6b h LEU 109 Cb 0.11 -0.15 -0.07 0.00 0.09 0.00 0.00 40.66 40.64 3i6b h LEU 109 CO -0.14 0.51 0.60 -0.07 0.09 0.00 0.00 178.44 179.43 3i6b h LEU 110 N 0.62 0.92 -0.01 1.67 3.38 -1.20 -1.16 115.31 119.53 3i6b h LEU 110 Ca 0.16 0.03 -0.13 0.00 0.09 0.00 0.00 57.88 58.04 3i6b h LEU 110 Cb 0.06 -0.16 0.01 0.00 0.09 0.00 0.00 40.66 40.66 3i6b h LEU 110 CO -0.03 0.54 -0.49 -0.08 0.09 0.00 0.00 178.44 178.47 3i6b h GLU 111 N 1.03 0.34 0.00 1.13 4.81 -1.19 -0.54 114.58 120.16 3i6b h GLU 111 Ca 0.44 -0.36 -0.06 0.00 -0.13 0.00 0.00 59.36 59.25 3i6b h GLU 111 Cb 0.31 0.10 -0.01 0.00 0.63 0.00 0.00 28.75 29.78 3i6b h GLU 111 CO -0.22 1.05 -0.31 0.87 -0.73 0.00 0.00 179.01 179.67 3i6b h LYS 112 N -0.21 0.00 -0.02 1.92 1.57 -1.05 -2.86 116.57 115.92 3i6b h LYS 112 Ca -0.06 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.72 3i6b h LYS 112 Cb 1.21 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.52 3i6b h LYS 112 CO 0.10 0.31 -0.17 1.28 -0.57 0.00 0.00 179.45 180.40 3i6b n LEU 113 N -4.04 2.65 -3.70 2.94 4.77 -0.45 -4.98 117.00 114.19 3i6b n LEU 113 Ca -0.02 -0.91 -0.26 0.00 -0.03 0.00 0.00 56.01 54.79 3i6b n LEU 113 Cb 0.37 0.00 0.03 0.00 -2.33 0.00 0.00 43.42 41.49 3i6b n LEU 113 CO 0.37 0.46 -0.09 0.00 -1.33 0.00 0.00 177.39 176.79 3i6b n ALA 114 N 0.86 -2.29 -2.69 -1.18 0.00 -0.92 -4.98 120.51 109.30 3i6b n ALA 114 Ca 0.12 -0.19 -0.19 0.00 0.00 0.00 0.00 53.44 53.18 3i6b n ALA 114 Cb 0.55 -3.17 -0.12 0.00 0.00 0.00 0.00 19.45 16.71 3i6b n ALA 114 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 177.50 176.00 3i6b s ILE 115 N -3.61 1.14 0.14 0.00 2.07 -0.26 -5.05 121.20 115.64 3i6b s ILE 115 Ca 0.25 -1.29 -0.03 0.00 -1.41 0.00 0.00 60.65 58.16 3i6b s ILE 115 Cb -0.08 -1.09 -0.05 0.00 0.13 0.00 0.00 42.46 41.37 3i6b s ILE 115 CO 0.84 -0.20 0.35 0.00 -1.91 0.00 0.00 174.94 174.02 3i6b s ALA 116 N -1.24 3.84 0.48 1.50 0.00 -1.26 -4.66 121.76 120.41 3i6b s ALA 116 Ca -0.01 -0.66 0.32 0.00 0.00 0.00 0.00 51.96 51.61 3i6b s ALA 116 Cb -0.10 -2.05 1.44 0.00 0.00 0.00 0.00 23.12 22.41 3i6b s ALA 116 CO 0.02 0.66 1.69 -1.00 0.00 0.00 0.00 175.76 177.13 3i6b h PRO 117 N 2.71 0.12 0.00 0.00 0.13 -1.97 0.13 132.00 133.12 3i6b h PRO 117 Ca -0.46 -0.01 0.00 0.00 -0.87 0.00 0.00 66.00 64.66 3i6b h PRO 117 Cb 1.17 -0.03 0.00 0.00 0.13 0.00 0.00 31.00 32.27 3i6b h PRO 117 CO 0.72 0.08 0.00 -0.85 -0.23 0.00 0.00 178.00 177.72 3i6b n GLU 118 N -4.42 0.12 -0.19 0.86 0.00 -1.26 -0.93 120.64 114.81 3i6b n GLU 118 Ca 0.33 0.31 0.09 0.00 0.00 0.00 0.00 57.16 57.90 3i6b n GLU 118 Cb 1.36 -1.71 0.26 0.00 0.00 0.00 0.00 31.44 31.35 3i6b n GLU 118 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.13 177.22 3i6b n ASN 119 N -1.94 2.53 -4.47 -1.84 3.02 0.44 -4.21 115.26 108.80 3i6b n ASN 119 Ca 0.03 -1.92 -0.33 0.00 -0.03 0.00 0.00 54.58 52.34 3i6b n ASN 119 Cb 0.24 -0.25 -0.13 0.00 -0.61 0.00 0.00 39.78 39.03 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 -1.50 3.22 0.02 2.41 1.01 -0.97 0.05 120.40 124.63 3i6b s VAL 120 Ca 0.34 -0.65 0.05 0.00 0.00 0.00 0.00 61.98 61.72 3i6b s VAL 120 Cb 0.18 -2.30 -0.03 0.00 0.00 0.00 0.00 36.38 34.23 3i6b s VAL 120 CO 0.25 0.57 -0.10 0.00 0.00 0.00 0.00 175.10 175.82 3i6b s ALA 121 N -0.41 2.89 -0.07 5.51 0.00 0.50 -0.97 121.76 129.21 3i6b s ALA 121 Ca 0.05 -1.08 0.00 0.00 0.00 0.00 0.00 51.96 50.93 3i6b s ALA 121 Cb -0.12 -1.01 0.02 0.00 0.00 0.00 0.00 23.12 22.01 3i6b s ALA 121 CO 0.02 0.60 -0.05 -0.47 0.00 0.00 0.00 175.76 175.87 3i6b s TYR 122 N -0.98 0.94 -0.33 0.00 5.04 -0.22 0.00 117.35 121.81 3i6b s TYR 122 Ca 0.17 -0.33 -0.09 0.00 -2.44 0.00 0.00 57.07 54.37 3i6b s TYR 122 Cb -0.11 -0.85 0.01 0.00 0.35 0.00 0.00 41.96 41.36 3i6b s TYR 122 CO 0.07 -0.29 0.16 0.08 -1.34 0.00 0.00 175.55 174.22 3i6b s VAL 123 N 1.29 4.47 0.35 3.14 1.01 -0.18 -0.34 120.40 130.16 3i6b s VAL 123 Ca -0.05 -0.61 0.04 0.00 0.00 0.00 0.00 61.98 61.36 3i6b s VAL 123 Cb -0.14 -3.36 -0.06 0.00 0.00 0.00 0.00 36.38 32.83 3i6b s VAL 123 CO -0.02 -0.03 0.06 -0.83 0.00 0.00 0.00 175.10 174.28 3i6b s GLY 124 N 1.57 2.24 0.00 4.51 0.00 -0.17 -2.44 107.32 113.03 3i6b s GLY 124 Ca 0.03 -1.89 0.00 0.00 0.00 0.00 0.00 44.72 42.86 3i6b s GLY 124 CO 0.06 -1.87 0.00 2.09 0.00 0.00 0.00 173.10 173.38 3i6b n ASP 125 N -0.83 0.01 -4.07 1.64 5.75 -1.26 -2.66 116.55 115.12 3i6b n ASP 125 Ca -0.04 -0.13 -0.07 0.00 -0.01 0.00 0.00 54.79 54.54 3i6b n ASP 125 Cb 0.66 0.17 -0.10 0.00 -1.03 0.00 0.00 41.12 40.83 3i6b n ASP 125 CO 0.00 0.00 0.00 -0.62 -0.11 0.00 0.00 177.20 176.47 3i6b s ASP 126 N -0.17 0.43 0.61 -1.12 -1.08 -1.26 -0.51 116.67 113.56 3i6b s ASP 126 Ca 0.00 -0.99 0.32 0.00 -0.52 0.00 0.00 52.55 51.37 3i6b s ASP 126 Cb 0.00 0.23 1.92 0.00 -1.46 0.00 0.00 42.92 43.60 3i6b s ASP 126 CO 0.00 -0.63 2.25 -0.07 0.52 0.00 0.00 175.17 177.24 3i6b h LEU 127 N 3.07 0.00 -2.30 -1.34 3.38 -1.99 -0.40 115.31 115.73 3i6b h LEU 127 Ca -0.34 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 57.62 3i6b h LEU 127 Cb 1.15 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.90 3i6b h LEU 127 CO 0.64 0.00 -0.03 -0.29 0.09 0.00 0.00 178.44 178.86 3i6b h ILE 128 N 0.00 0.15 0.00 1.22 6.09 -1.99 -1.77 117.51 121.20 3i6b h ILE 128 Ca 0.01 -0.26 0.00 0.00 -1.37 0.00 0.00 64.86 63.24 3i6b h ILE 128 Cb 0.07 1.22 0.00 0.00 0.47 0.00 0.00 36.82 38.58 3i6b h ILE 128 CO -0.00 0.03 0.00 0.44 -3.07 0.00 0.00 178.15 175.55 3i6b h ASP 129 N 0.00 0.00 -0.68 2.19 3.32 -1.49 -3.39 116.42 116.36 3i6b h ASP 129 Ca -0.00 0.00 -0.07 0.00 0.02 0.00 0.00 57.03 56.98 3i6b h ASP 129 Cb 0.22 0.00 -0.03 0.00 0.22 0.00 0.00 39.33 39.74 3i6b h ASP 129 CO 0.00 0.00 0.15 -0.25 -1.72 0.00 0.00 179.24 177.42 3i6b h TRP 130 N 0.00 1.17 -0.97 4.55 2.91 -1.45 -0.76 115.95 121.40 3i6b h TRP 130 Ca 0.00 -0.14 0.17 0.00 1.13 0.00 0.00 58.89 60.04 3i6b h TRP 130 Cb 0.90 -0.33 -0.09 0.00 -0.51 0.00 0.00 29.16 29.13 3i6b h TRP 130 CO 0.00 0.96 0.61 -1.35 -1.03 0.00 0.00 178.44 177.63 3i6b h PRO 131 N 1.05 0.73 0.02 2.65 0.11 -1.76 0.20 132.00 135.00 3i6b h PRO 131 Ca 0.22 -0.04 -0.05 0.00 0.11 0.00 0.00 66.00 66.23 3i6b h PRO 131 Cb 0.39 -0.16 0.01 0.00 0.11 0.00 0.00 31.00 31.34 3i6b h PRO 131 CO 0.01 0.48 -0.22 0.28 -0.21 0.00 0.00 178.00 178.34 3i6b h VAL 132 N 0.75 1.62 -0.98 3.15 2.07 -1.77 -3.34 116.25 117.76 3i6b h VAL 132 Ca 0.52 -2.11 0.18 0.00 0.82 0.00 0.00 66.70 66.10 3i6b h VAL 132 Cb 0.81 3.01 -0.09 0.00 -1.52 0.00 0.00 31.29 33.50 3i6b h VAL 132 CO -0.29 0.57 0.61 0.24 0.02 0.00 0.00 177.57 178.72 3i6b h MET 133 N -0.66 0.71 -0.07 1.57 2.86 -0.75 -0.25 114.93 118.35 3i6b h MET 133 Ca -0.03 -0.04 0.02 0.00 -2.06 0.00 0.00 59.70 57.58 3i6b h MET 133 Cb 1.05 -0.16 -0.00 0.00 0.06 0.00 0.00 31.60 32.55 3i6b h MET 133 CO 0.04 0.47 0.08 1.49 1.06 0.00 0.00 176.91 180.05 3i6b h GLU 134 N 0.73 0.00 0.00 1.72 4.81 -0.72 -3.08 114.58 118.05 3i6b h GLU 134 Ca 0.54 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.77 3i6b h GLU 134 Cb 0.88 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.26 3i6b h GLU 134 CO -0.31 0.00 -1.88 1.63 -0.73 0.00 0.00 179.01 177.72 3i6b n LYS 135 N -3.87 0.63 -2.15 1.92 5.02 -0.12 -5.01 118.16 114.58 3i6b n LYS 135 Ca -0.01 -0.17 -0.28 0.00 -2.02 0.00 0.00 58.31 55.83 3i6b n LYS 135 Cb 0.17 -1.54 0.04 0.00 -0.02 0.00 0.00 35.03 33.68 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 -3.49 3.64 0.18 -0.18 -7.23 -1.14 -4.60 120.40 107.59 3i6b s VAL 136 Ca -0.07 0.26 -0.10 0.00 -1.81 0.00 0.00 61.98 60.26 3i6b s VAL 136 Cb 0.14 -3.49 0.08 0.00 0.56 0.00 0.00 36.38 33.67 3i6b s VAL 136 CO 0.90 -0.57 1.68 1.23 -0.31 0.00 0.00 175.10 178.03 3i6b h GLY 137 N -0.39 1.10 -7.08 2.32 0.00 0.79 -3.41 103.07 96.39 3i6b h GLY 137 Ca -0.45 -0.71 -0.54 0.00 0.00 0.00 0.00 47.33 45.63 3i6b h GLY 137 CO 0.62 0.66 -0.76 -2.27 0.00 0.00 0.00 176.54 174.79 3i6b s LEU 138 N -9.53 1.38 -0.06 3.11 2.96 -0.67 -4.93 118.68 110.95 3i6b s LEU 138 Ca -0.12 -1.27 -0.18 0.00 -0.22 0.00 0.00 54.13 52.34 3i6b s LEU 138 Cb 0.13 -0.62 -0.05 0.00 0.50 0.00 0.00 46.19 46.16 3i6b s LEU 138 CO 0.83 -0.39 0.48 -0.94 -1.32 0.00 0.00 176.35 175.01 3i6b s SER 139 N 1.84 6.78 -0.07 3.68 1.04 -1.26 -1.06 113.70 124.66 3i6b s SER 139 Ca 0.06 0.93 0.01 0.00 0.48 0.00 0.00 55.95 57.44 3i6b s SER 139 Cb -0.17 -2.29 0.02 0.00 0.10 0.00 0.00 66.02 63.68 3i6b s SER 139 CO -0.23 0.12 -0.09 -0.69 0.98 0.00 0.00 173.24 173.33 3i6b s VAL 140 N -0.06 0.95 -0.13 5.02 1.01 0.54 -1.91 120.40 125.83 3i6b s VAL 140 Ca 0.26 -0.35 -0.07 0.00 0.00 0.00 0.00 61.98 61.83 3i6b s VAL 140 Cb -0.16 -0.91 -0.04 0.00 0.00 0.00 0.00 36.38 35.27 3i6b s VAL 140 CO 0.13 0.32 0.11 0.00 0.00 0.00 0.00 175.10 175.66 3i6b s ALA 141 N 0.91 3.72 0.86 5.51 0.00 -0.73 -1.00 121.76 131.04 3i6b s ALA 141 Ca -0.10 -0.68 -0.12 0.00 0.00 0.00 0.00 51.96 51.06 3i6b s ALA 141 Cb -0.15 -1.91 0.11 0.00 0.00 0.00 0.00 23.12 21.17 3i6b s ALA 141 CO 0.01 0.52 1.10 0.14 0.00 0.00 0.00 175.76 177.53 3i6b s VAL 142 N -0.72 2.75 0.21 0.00 -7.23 -1.09 -1.21 120.40 113.12 3i6b s VAL 142 Ca 0.13 0.24 -0.09 0.00 -1.81 0.00 0.00 61.98 60.45 3i6b s VAL 142 Cb -0.12 -2.87 0.15 0.00 0.56 0.00 0.00 36.38 34.11 3i6b s VAL 142 CO 0.03 -0.32 1.82 0.00 -0.31 0.00 0.00 175.10 176.32 3i6b h ALA 143 N -1.36 0.94 -0.92 1.32 0.00 -1.58 -2.43 119.26 115.24 3i6b h ALA 143 Ca -0.49 0.00 -0.63 0.00 0.00 0.00 0.00 54.91 53.79 3i6b h ALA 143 Cb 1.28 -0.17 -0.33 0.00 0.00 0.00 0.00 17.79 18.58 3i6b h ALA 143 CO 0.57 0.12 0.37 -0.40 0.00 0.00 0.00 179.25 179.91 3i6b n ASP 144 N -4.73 6.77 -4.71 0.00 5.75 -1.26 -5.00 116.55 113.37 3i6b n ASP 144 Ca 0.09 -3.78 -0.30 0.00 -0.01 0.00 0.00 54.79 50.79 3i6b n ASP 144 Cb 0.15 -0.79 0.14 0.00 -1.03 0.00 0.00 41.12 39.60 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 -3.75 1.51 0.17 2.12 0.00 -0.92 -4.94 121.76 115.96 3i6b s ALA 145 Ca 0.60 -0.03 -0.32 0.00 0.00 0.00 0.00 51.96 52.21 3i6b s ALA 145 Cb 0.48 -3.20 -0.16 0.00 0.00 0.00 0.00 23.12 20.23 3i6b s ALA 145 CO 0.01 -2.39 1.00 1.58 0.00 0.00 0.00 175.76 175.96 3i6b n HIS 146 N -3.91 0.86 -0.15 0.00 -0.00 0.33 -4.85 115.22 107.49 3i6b n HIS 146 Ca 0.07 0.79 0.18 0.00 0.46 0.00 0.00 57.72 59.22 3i6b n HIS 146 Cb 0.55 -2.19 0.55 0.00 -0.12 0.00 0.00 29.99 28.78 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 2.67 0.31 0.00 1.57 0.11 -1.92 -2.12 132.00 132.62 3i6b h PRO 147 Ca -0.41 -0.02 -0.04 0.00 0.11 0.00 0.00 66.00 65.65 3i6b h PRO 147 Cb 1.37 -0.07 -0.01 0.00 0.11 0.00 0.00 31.00 32.41 3i6b h PRO 147 CO 0.66 0.20 -0.17 -0.07 -0.21 0.00 0.00 178.00 178.41 3i6b h LEU 148 N 0.32 0.00 -0.14 2.35 3.38 -1.98 -3.23 115.31 116.00 3i6b h LEU 148 Ca 0.37 0.00 -0.22 0.00 0.09 0.00 0.00 57.88 58.12 3i6b h LEU 148 Cb 0.99 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.74 3i6b h LEU 148 CO -0.10 0.17 -0.99 0.25 0.09 0.00 0.00 178.44 177.86 3i6b h LEU 149 N 0.00 0.37 -0.31 1.67 5.85 -1.74 -3.38 115.31 117.77 3i6b h LEU 149 Ca -0.00 -0.32 0.07 0.00 0.84 0.00 0.00 57.88 58.46 3i6b h LEU 149 Cb 0.98 -0.12 -0.08 0.00 0.37 0.00 0.00 40.66 41.82 3i6b h LEU 149 CO 0.02 1.16 -0.21 0.40 -0.34 0.00 0.00 178.44 179.47 3i6b h ILE 150 N 0.13 0.43 0.00 4.05 2.04 -1.56 -1.14 117.51 121.46 3i6b h ILE 150 Ca -0.07 0.00 0.00 0.00 1.00 0.00 0.00 64.86 65.79 3i6b h ILE 150 Cb 1.65 0.43 0.00 0.00 -0.74 0.00 0.00 36.82 38.16 3i6b h ILE 150 CO 0.16 0.00 0.00 -2.65 0.00 0.00 0.00 178.15 175.66 3i6b n PRO 151 N -5.37 0.19 0.18 2.37 -0.02 -1.26 -2.97 135.00 128.13 3i6b n PRO 151 Ca 0.01 0.43 0.12 0.00 -2.02 0.00 0.00 63.50 62.03 3i6b n PRO 151 Cb 0.28 -1.87 0.11 0.00 -0.02 0.00 0.00 33.50 32.00 3i6b n PRO 151 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3i6b h ARG 152 N 0.00 0.00 -6.95 -0.52 3.08 -1.40 -3.47 114.38 105.13 3i6b h ARG 152 Ca 0.00 0.00 -0.48 0.00 0.07 0.00 0.00 59.98 59.57 3i6b h ARG 152 Cb 0.35 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.39 3i6b h ARG 152 CO 0.00 0.01 0.22 0.00 -1.07 0.00 0.00 179.97 179.13 3i6b s ALA 153 N -3.26 3.21 0.24 0.04 0.00 -1.16 -4.98 121.76 115.86 3i6b s ALA 153 Ca 0.04 0.08 -0.02 0.00 0.00 0.00 0.00 51.96 52.06 3i6b s ALA 153 Cb 0.07 -2.92 0.28 0.00 0.00 0.00 0.00 23.12 20.55 3i6b s ALA 153 CO 0.71 0.05 1.69 -0.44 0.00 0.00 0.00 175.76 177.77 3i6b h ASP 154 N 1.55 0.72 -3.62 0.00 3.45 -1.73 -3.44 116.42 113.35 3i6b h ASP 154 Ca -0.48 -0.22 -0.31 0.00 0.43 0.00 0.00 57.03 56.45 3i6b h ASP 154 Cb 1.18 -0.20 -0.32 0.00 -0.56 0.00 0.00 39.33 39.44 3i6b h ASP 154 CO 0.63 0.88 -0.74 -0.47 -1.57 0.00 0.00 179.24 177.97 3i6b s TYR 155 N -4.72 0.22 -0.20 4.55 5.04 -0.97 -4.93 117.35 116.34 3i6b s TYR 155 Ca -0.09 0.01 -0.04 0.00 -2.44 0.00 0.00 57.07 54.51 3i6b s TYR 155 Cb 0.14 -0.27 -0.02 0.00 0.35 0.00 0.00 41.96 42.15 3i6b s TYR 155 CO 0.82 -0.08 -0.03 0.08 -1.34 0.00 0.00 175.55 175.00 3i6b s VAL 156 N 0.62 3.67 0.60 3.14 1.01 -1.26 -1.77 120.40 126.42 3i6b s VAL 156 Ca -0.06 -0.41 -0.18 0.00 0.00 0.00 0.00 61.98 61.33 3i6b s VAL 156 Cb -0.09 -2.65 -0.03 0.00 0.00 0.00 0.00 36.38 33.61 3i6b s VAL 156 CO -0.01 0.44 1.16 0.42 0.00 0.00 0.00 175.10 177.11 3i6b s THR 157 N 1.05 2.89 -0.06 3.92 -4.23 -0.35 -4.93 115.64 113.93 3i6b s THR 157 Ca 0.01 0.52 0.12 0.00 -1.18 0.00 0.00 61.69 61.17 3i6b s THR 157 Cb -0.15 -3.16 -0.03 0.00 1.34 0.00 0.00 72.50 70.50 3i6b s THR 157 CO 0.01 -0.15 1.37 0.03 -0.54 0.00 0.00 174.62 175.34 3i6b h ARG 158 N 0.76 0.00 -5.83 3.99 -0.00 -1.92 -3.24 114.38 108.15 3i6b h ARG 158 Ca -0.49 0.00 -0.64 0.00 -0.50 0.00 0.00 59.98 58.35 3i6b h ARG 158 Cb 1.28 0.00 -0.06 0.00 0.00 0.00 0.00 29.97 31.19 3i6b h ARG 158 CO 0.55 0.67 -0.38 0.42 0.00 0.00 0.00 179.97 181.23 3i6b s ILE 159 N -2.87 5.32 0.66 2.04 -1.09 -1.26 -4.84 121.20 119.15 3i6b s ILE 159 Ca 0.03 0.33 -0.12 0.00 -2.23 0.00 0.00 60.65 58.65 3i6b s ILE 159 Cb 0.08 -3.53 -0.01 0.00 -1.58 0.00 0.00 42.46 37.42 3i6b s ILE 159 CO 0.77 0.51 1.05 0.00 -1.23 0.00 0.00 174.94 176.05 3i6b s ALA 160 N -1.15 2.73 0.20 9.38 0.00 -1.26 -3.31 121.76 128.35 3i6b s ALA 160 Ca 0.22 0.17 -0.33 0.00 0.00 0.00 0.00 51.96 52.02 3i6b s ALA 160 Cb -0.13 -3.18 -0.14 0.00 0.00 0.00 0.00 23.12 19.66 3i6b s ALA 160 CO 0.11 -1.04 1.50 0.41 0.00 0.00 0.00 175.76 176.74 3i6b n GLY 161 N -1.73 0.97 2.27 0.00 0.00 -1.26 -1.53 105.19 103.92 3i6b n GLY 161 Ca 0.08 0.58 -0.01 0.00 0.00 0.00 0.00 46.02 46.67 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 2.84 0.41 0.00 -0.02 0.00 -0.24 -3.89 105.19 104.30 3i6b n GLY 162 Ca 0.14 -0.09 0.00 0.00 0.00 0.00 0.00 46.02 46.07 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 -1.99 1.09 0.00 1.61 5.12 -0.58 -4.52 116.66 117.39 3i6b n ARG 163 Ca -0.01 -1.01 0.00 0.00 -1.93 0.00 0.00 57.85 54.91 3i6b n ARG 163 Cb 0.15 -0.98 0.00 0.00 -1.16 0.00 0.00 32.46 30.46 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 -0.26 1.68 0.32 -0.13 0.00 -1.25 -4.85 105.19 100.71 3i6b n GLY 164 Ca 0.00 0.00 -0.06 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 1.02 -0.37 4.61 0.00 -1.76 -1.62 119.26 121.14 3i6b h ALA 165 Ca 0.00 -0.23 -0.15 0.00 0.00 0.00 0.00 54.91 54.52 3i6b h ALA 165 Cb 0.00 -0.27 -0.01 0.00 0.00 0.00 0.00 17.79 17.51 3i6b h ALA 165 CO 0.00 0.65 -0.37 0.28 0.00 0.00 0.00 179.25 179.80 3i6b h VAL 166 N 1.04 1.28 -0.66 0.00 2.07 -1.89 -2.52 116.25 115.55 3i6b h VAL 166 Ca 0.22 -1.55 0.02 0.00 0.82 0.00 0.00 66.70 66.21 3i6b h VAL 166 Cb 0.34 1.38 -0.04 0.00 -1.52 0.00 0.00 31.29 31.45 3i6b h VAL 166 CO -0.00 0.52 0.42 -0.09 0.02 0.00 0.00 177.57 178.43 3i6b h ARG 167 N 0.73 0.81 -0.37 1.57 9.65 -1.77 -0.24 114.38 124.76 3i6b h ARG 167 Ca 0.06 -0.05 0.03 0.00 -1.10 0.00 0.00 59.98 58.93 3i6b h ARG 167 Cb 0.95 -0.18 -0.04 0.00 -1.39 0.00 0.00 29.97 29.32 3i6b h ARG 167 CO 0.09 0.54 0.16 1.49 2.80 0.00 0.00 179.97 185.04 3i6b h GLU 168 N 0.84 0.32 -0.19 0.20 4.81 -1.15 0.19 114.58 119.59 3i6b h GLU 168 Ca 0.26 -0.02 -0.02 0.00 -0.13 0.00 0.00 59.36 59.45 3i6b h GLU 168 Cb -0.03 -0.07 -0.01 0.00 0.63 0.00 0.00 28.75 29.27 3i6b h GLU 168 CO -0.08 0.21 0.03 0.28 -0.73 0.00 0.00 179.01 178.72 3i6b h VAL 169 N 0.33 1.22 -0.68 0.32 2.07 -1.15 -0.95 116.25 117.41 3i6b h VAL 169 Ca 0.16 -0.71 0.10 0.00 0.82 0.00 0.00 66.70 67.07 3i6b h VAL 169 Cb 0.11 1.33 -0.07 0.00 -1.52 0.00 0.00 31.29 31.13 3i6b h VAL 169 CO -0.14 0.22 0.31 0.00 0.02 0.00 0.00 177.57 177.98 3i6b h ASP 171 N 0.52 0.90 -0.09 0.00 3.45 -0.30 -2.24 116.42 118.66 3i6b h ASP 171 Ca 0.34 -0.02 -0.01 0.00 0.43 0.00 0.00 57.03 57.77 3i6b h ASP 171 Cb 0.40 -0.22 -0.00 0.00 -0.56 0.00 0.00 39.33 38.94 3i6b h ASP 171 CO -0.29 0.65 0.03 0.25 -1.57 0.00 0.00 179.24 178.31 3i6b h LEU 172 N 1.06 0.12 -0.41 1.55 5.85 -0.38 -1.03 115.31 122.07 3i6b h LEU 172 Ca 0.29 -0.17 0.04 0.00 0.84 0.00 0.00 57.88 58.88 3i6b h LEU 172 Cb -0.12 -0.03 -0.04 0.00 0.37 0.00 0.00 40.66 40.84 3i6b h LEU 172 CO -0.06 0.27 0.18 -0.07 -0.34 0.00 0.00 178.44 178.41 3i6b h LEU 173 N -0.02 0.23 -1.01 2.25 3.38 -0.99 -0.75 115.31 118.39 3i6b h LEU 173 Ca 0.03 0.03 -0.10 0.00 0.09 0.00 0.00 57.88 57.93 3i6b h LEU 173 Cb 0.18 -0.00 -0.01 0.00 0.09 0.00 0.00 40.66 40.92 3i6b h LEU 173 CO -0.00 0.17 -0.38 -0.07 0.09 0.00 0.00 178.44 178.25 3i6b h LEU 174 N 0.37 0.22 -0.41 1.67 3.38 -1.37 -1.03 115.31 118.14 3i6b h LEU 174 Ca 0.18 -0.09 -0.08 0.00 0.09 0.00 0.00 57.88 57.99 3i6b h LEU 174 Cb 0.13 -0.06 -0.01 0.00 0.09 0.00 0.00 40.66 40.81 3i6b h LEU 174 CO -0.16 0.59 -0.05 0.25 0.09 0.00 0.00 178.44 179.16 3i6b h LEU 175 N 0.18 0.76 -0.85 1.67 5.85 -0.77 0.29 115.31 122.45 3i6b h LEU 175 Ca 0.02 -0.34 -0.12 0.00 0.84 0.00 0.00 57.88 58.28 3i6b h LEU 175 Cb 0.76 -0.21 -0.02 0.00 0.37 0.00 0.00 40.66 41.57 3i6b h LEU 175 CO 0.06 0.92 -0.55 0.00 -0.34 0.00 0.00 178.44 178.52 3i6b h ALA 176 N 0.87 1.04 -0.62 1.25 0.00 -0.84 -3.10 119.26 117.87 3i6b h ALA 176 Ca 0.11 -0.50 0.00 0.00 0.00 0.00 0.00 54.91 54.52 3i6b h ALA 176 Cb 0.56 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.26 3i6b h ALA 176 CO 0.03 0.69 0.00 1.04 0.00 0.00 0.00 179.25 181.01 3i6b n GLN 177 N -3.89 3.64 0.00 0.00 6.02 -0.42 -4.61 117.38 118.12 3i6b n GLN 177 Ca -0.02 -2.73 0.00 0.00 -0.01 0.00 0.00 57.00 54.25 3i6b n GLN 177 Cb 0.57 -1.88 0.00 0.00 1.02 0.00 0.00 30.24 29.94 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 1.09 2.31 0.09 1.08 0.00 -1.08 -4.83 105.19 103.86 3i6b n GLY 178 Ca 0.25 0.00 0.13 0.00 0.00 0.00 0.00 46.02 46.39 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 -1.81 0.20 0.00 1.61 5.02 -0.54 -4.94 118.16 117.69 3i6b n LYS 179 Ca 0.00 0.23 0.00 0.00 -2.02 0.00 0.00 58.31 56.52 3i6b n LYS 179 Cb 0.00 -1.76 0.00 0.00 -0.02 0.00 0.00 35.03 33.25 3i6b n LYS 179 CO 0.00 0.00 0.00 -0.11 -0.52 0.00 0.00 177.40 176.77