#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3i1q n ILE 20 N 0.00 0.00 -3.73 6.31 -6.64 -1.26 -4.77 119.36 109.27 3i1q n ILE 20 Ca 0.00 0.00 -0.12 0.00 -1.77 0.00 0.00 62.75 60.86 3i1q n ILE 20 Cb 0.00 -0.93 -0.07 0.00 -1.44 0.00 0.00 39.64 37.19 3i1q n ILE 20 CO 0.00 0.00 0.00 -0.62 -1.77 0.00 0.00 176.55 174.16 3i1q s ASP 21 N -2.92 -0.17 0.00 7.28 -1.08 -1.26 -5.03 116.67 113.48 3i1q s ASP 21 Ca 0.00 -0.10 0.16 0.00 -0.52 0.00 0.00 52.55 52.08 3i1q s ASP 21 Cb 0.00 0.37 0.83 0.00 -1.46 0.00 0.00 42.92 42.66 3i1q s ASP 21 CO 0.00 -0.60 1.41 0.00 0.52 0.00 0.00 175.17 176.50 3i1q n TYR 22 N 0.65 0.00 0.09 -5.34 0.18 -1.26 -3.35 117.16 108.14 3i1q n TYR 22 Ca -0.19 0.00 0.02 0.00 1.88 0.00 0.00 57.90 59.61 3i1q n TYR 22 Cb 0.59 -0.20 -0.02 0.00 -0.38 0.00 0.00 39.34 39.33 3i1q n TYR 22 CO 0.00 0.00 0.00 0.87 -2.08 0.00 0.00 176.86 175.65 3i1q h LYS 23 N 0.00 0.00 -2.37 -3.48 1.57 -1.96 -3.37 116.57 106.97 3i1q h LYS 23 Ca 0.00 0.00 -0.08 0.00 -1.87 0.00 0.00 60.65 58.70 3i1q h LYS 23 Cb 0.10 0.00 -0.03 0.00 0.08 0.00 0.00 32.23 32.38 3i1q h LYS 23 CO 0.00 0.39 0.02 -0.25 -0.57 0.00 0.00 179.45 179.03 3i1q n ASP 24 N -3.05 2.84 0.23 0.86 9.92 -1.21 -4.57 116.55 121.57 3i1q n ASP 24 Ca -0.03 -1.97 0.17 0.00 -0.53 0.00 0.00 54.79 52.42 3i1q n ASP 24 Cb 0.77 -0.74 0.75 0.00 -0.64 0.00 0.00 41.12 41.27 3i1q n ASP 24 CO 0.00 0.00 0.00 0.16 0.13 0.00 0.00 177.20 177.49 3i1q h ILE 25 N 2.25 0.15 -0.00 0.53 3.07 -1.89 2.63 117.51 124.25 3i1q h ILE 25 Ca 0.08 0.00 -0.13 0.00 1.55 0.00 0.00 64.86 66.36 3i1q h ILE 25 Cb 0.76 0.62 -0.02 0.00 -0.27 0.00 0.00 36.82 37.92 3i1q h ILE 25 CO 0.28 0.00 -0.62 0.00 -1.05 0.00 0.00 178.15 176.76 3i1q h ALA 26 N 1.34 0.97 0.00 0.16 0.00 -1.96 -1.97 119.26 117.80 3i1q h ALA 26 Ca 0.08 -0.57 -0.00 0.00 0.00 0.00 0.00 54.91 54.43 3i1q h ALA 26 Cb 0.91 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 18.60 3i1q h ALA 26 CO -0.00 0.78 -0.00 1.15 0.00 0.00 0.00 179.25 181.18 3i1q h THR 27 N 0.00 1.54 -0.20 0.00 2.02 0.41 -3.37 112.91 113.32 3i1q h THR 27 Ca -0.01 -2.11 -0.04 0.00 0.77 0.00 0.00 66.41 65.02 3i1q h THR 27 Cb 1.10 2.89 -0.01 0.00 -1.74 0.00 0.00 68.15 70.39 3i1q h THR 27 CO 0.08 0.51 -0.06 -0.07 0.37 0.00 0.00 175.52 176.36 3i1q h LEU 28 N -0.98 0.28 -2.19 2.58 4.07 -1.08 -1.49 115.31 116.50 3i1q h LEU 28 Ca -0.00 -0.05 -0.01 0.00 0.08 0.00 0.00 57.88 57.90 3i1q h LEU 28 Cb 0.85 -0.07 -0.00 0.00 1.08 0.00 0.00 40.66 42.51 3i1q h LEU 28 CO 0.00 0.38 -0.05 0.07 -1.08 0.00 0.00 178.44 177.76 3i1q h LYS 29 N 0.29 0.00 -0.35 1.13 2.10 -1.51 0.27 116.57 118.50 3i1q h LYS 29 Ca 0.06 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.71 3i1q h LYS 29 Cb 0.30 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.63 3i1q h LYS 29 CO 0.01 0.05 0.00 0.09 -2.00 0.00 0.00 179.45 177.60 3i1q n ASN 30 N -3.94 0.35 -0.10 7.07 5.03 -0.56 -2.74 115.26 120.37 3i1q n ASN 30 Ca -0.03 -1.58 0.00 0.00 0.87 0.00 0.00 54.58 53.84 3i1q n ASN 30 Cb 0.14 -0.18 0.01 0.00 -1.02 0.00 0.00 39.78 38.73 3i1q n ASN 30 CO 0.00 0.00 0.00 -1.22 -1.83 0.00 0.00 177.26 174.21 3i1q n TYR 31 N -0.23 0.00 -3.87 3.10 4.02 0.94 -5.06 117.16 116.06 3i1q n TYR 31 Ca 0.00 -0.10 -0.14 0.00 -0.01 0.00 0.00 57.90 57.64 3i1q n TYR 31 Cb 0.09 -0.02 -0.15 0.00 -0.02 0.00 0.00 39.34 39.23 3i1q n TYR 31 CO 0.00 0.00 0.00 0.96 -1.01 0.00 0.00 176.86 176.81 3i1q s ILE 32 N -0.24 0.05 0.00 -0.72 -4.36 -1.11 -2.51 121.20 112.31 3i1q s ILE 32 Ca 0.01 0.08 0.00 0.00 -0.26 0.00 0.00 60.65 60.49 3i1q s ILE 32 Cb 0.01 -0.12 0.00 0.00 1.25 0.00 0.00 42.46 43.60 3i1q s ILE 32 CO 0.00 0.07 0.00 1.07 0.24 0.00 0.00 174.94 176.32 3i1q n THR 33 N 3.71 0.00 0.13 8.37 5.66 0.23 -4.82 114.28 127.57 3i1q n THR 33 Ca -0.21 0.00 -0.10 0.00 -3.05 0.00 0.00 64.05 60.68 3i1q n THR 33 Cb 0.54 0.00 -0.06 0.00 -1.55 0.00 0.00 70.33 69.26 3i1q n THR 33 CO 0.00 0.00 0.00 -0.33 -3.05 0.00 0.00 175.07 171.69 3i1q h GLU 34 N 0.00 -0.39 0.00 1.09 5.08 -1.98 -3.17 114.58 115.22 3i1q h GLU 34 Ca 0.00 0.03 0.00 0.00 -1.00 0.00 0.00 59.36 58.39 3i1q h GLU 34 Cb 0.00 0.09 0.00 0.00 0.50 0.00 0.00 28.75 29.34 3i1q h GLU 34 CO 0.00 -0.07 0.00 -1.13 -1.00 0.00 0.00 179.01 176.81 3i1q n SER 35 N -5.05 0.44 0.00 1.42 3.41 -1.26 -4.79 113.62 107.78 3i1q n SER 35 Ca -0.08 0.71 0.00 0.00 -0.26 0.00 0.00 58.87 59.24 3i1q n SER 35 Cb 0.25 -0.76 0.00 0.00 -0.26 0.00 0.00 64.21 63.44 3i1q n SER 35 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3i1q n GLY 36 N -1.34 2.26 3.52 5.00 0.00 -1.20 -3.17 105.19 110.27 3i1q n GLY 36 Ca -0.01 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.62 3i1q n GLY 36 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 3i1q n LYS 37 N -0.98 0.75 -2.75 1.61 5.02 -1.26 -4.45 118.16 116.09 3i1q n LYS 37 Ca 0.00 0.28 -0.40 0.00 -2.02 0.00 0.00 58.31 56.17 3i1q n LYS 37 Cb 0.00 -1.84 -0.05 0.00 -0.02 0.00 0.00 35.03 33.12 3i1q n LYS 37 CO 0.00 0.00 0.00 0.42 -0.52 0.00 0.00 177.40 177.30 3i1q s ILE 38 N -1.56 4.26 0.04 -0.18 1.01 -1.26 -0.60 121.20 122.90 3i1q s ILE 38 Ca 0.69 2.07 -0.10 0.00 0.00 0.00 0.00 60.65 63.31 3i1q s ILE 38 Cb -0.48 -4.32 -0.05 0.00 0.01 0.00 0.00 42.46 37.62 3i1q s ILE 38 CO 0.53 0.43 0.36 -0.69 0.00 0.00 0.00 174.94 175.57 3i1q s VAL 39 N -0.71 5.16 1.29 2.92 1.01 -1.04 -4.88 120.40 124.15 3i1q s VAL 39 Ca 0.43 0.43 -0.20 0.00 0.00 0.00 0.00 61.98 62.64 3i1q s VAL 39 Cb -0.25 -3.62 0.32 0.00 0.00 0.00 0.00 36.38 32.83 3i1q s VAL 39 CO 0.31 0.37 1.02 -2.16 0.00 0.00 0.00 175.10 174.64 3i1q s PRO 40 N -1.70 -1.89 0.19 2.72 0.04 -1.26 -4.85 135.00 128.25 3i1q s PRO 40 Ca 0.29 0.14 0.20 0.00 0.04 0.00 0.00 61.00 61.67 3i1q s PRO 40 Cb -0.14 -1.50 0.00 0.00 0.04 0.00 0.00 34.50 32.90 3i1q s PRO 40 CO 0.16 -4.20 1.08 0.77 0.04 0.00 0.00 177.00 174.86 3i1q h SER 41 N -2.94 0.00 0.21 6.66 0.02 -1.92 -2.38 113.55 113.21 3i1q h SER 41 Ca -0.47 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.48 3i1q h SER 41 Cb 1.32 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.86 3i1q h SER 41 CO 0.35 0.26 0.00 -2.11 -1.14 0.00 0.00 176.83 174.18 3i1q n ARG 42 N -2.86 0.10 0.00 3.45 1.85 -1.26 -0.53 116.66 117.41 3i1q n ARG 42 Ca -0.03 0.52 0.00 0.00 -1.00 0.00 0.00 57.85 57.34 3i1q n ARG 42 Cb 0.67 -1.78 0.00 0.00 -1.05 0.00 0.00 32.46 30.30 3i1q n ARG 42 CO 0.00 0.00 0.00 -0.89 -0.01 0.00 0.00 177.63 176.73 3i1q n ILE 43 N -1.99 0.00 1.63 8.89 2.08 -1.24 -4.60 119.36 124.13 3i1q n ILE 43 Ca 0.00 0.00 0.05 0.00 0.56 0.00 0.00 62.75 63.36 3i1q n ILE 43 Cb 0.08 -1.09 0.30 0.00 -0.75 0.00 0.00 39.64 38.18 3i1q n ILE 43 CO 0.00 0.00 0.00 0.35 0.56 0.00 0.00 176.55 177.46 3i1q n THR 44 N -2.76 0.00 -3.60 1.39 -2.24 -0.90 -4.86 114.28 101.32 3i1q n THR 44 Ca 0.00 0.00 -0.24 0.00 -2.27 0.00 0.00 64.05 61.54 3i1q n THR 44 Cb 0.42 -0.28 -0.06 0.00 -2.10 0.00 0.00 70.33 68.31 3i1q n THR 44 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3i1q n GLY 45 N 0.44 -0.16 3.97 3.38 0.00 0.31 -4.86 105.19 108.27 3i1q n GLY 45 Ca 0.08 0.09 -0.22 0.00 0.00 0.00 0.00 46.02 45.97 3i1q n GLY 45 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 3i1q s THR 46 N -3.27 5.26 1.35 2.61 -1.32 -1.19 -5.04 115.64 114.03 3i1q s THR 46 Ca 0.24 -0.94 -0.21 0.00 -1.21 0.00 0.00 61.69 59.57 3i1q s THR 46 Cb -0.14 -3.85 0.33 0.00 -1.51 0.00 0.00 72.50 67.33 3i1q s THR 46 CO 0.66 -0.32 0.75 0.54 -2.21 0.00 0.00 174.62 174.05 3i1q n ARG 47 N -1.34 -4.10 -0.08 7.08 5.12 -1.26 -4.78 116.66 117.29 3i1q n ARG 47 Ca -0.09 -1.21 -0.23 0.00 -1.93 0.00 0.00 57.85 54.39 3i1q n ARG 47 Cb 0.57 -1.83 -0.12 0.00 -1.16 0.00 0.00 32.46 29.92 3i1q n ARG 47 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70 3i1q n ALA 48 N -5.44 0.93 0.15 7.54 0.00 -1.26 -3.41 120.51 119.02 3i1q n ALA 48 Ca 0.11 -0.66 0.02 0.00 0.00 0.00 0.00 53.44 52.91 3i1q n ALA 48 Cb 0.53 -0.45 0.17 0.00 0.00 0.00 0.00 19.45 19.71 3i1q n ALA 48 CO 0.00 0.00 0.00 -0.22 0.00 0.00 0.00 177.50 177.28 3i1q h LYS 49 N -0.62 0.00 0.00 0.00 3.64 -2.02 -3.12 116.57 114.45 3i1q h LYS 49 Ca -0.45 0.00 -0.23 0.00 -1.27 0.00 0.00 60.65 58.70 3i1q h LYS 49 Cb 1.61 0.00 0.02 0.00 -0.41 0.00 0.00 32.23 33.45 3i1q h LYS 49 CO -0.15 0.52 -0.90 1.88 -2.27 0.00 0.00 179.45 178.52 3i1q h TYR 50 N 0.00 0.91 -1.04 1.91 0.99 -1.96 -3.27 116.97 114.50 3i1q h TYR 50 Ca -0.01 -0.49 0.30 0.00 2.00 0.00 0.00 58.73 60.53 3i1q h TYR 50 Cb 1.17 -0.10 -0.13 0.00 1.00 0.00 0.00 36.73 38.67 3i1q h TYR 50 CO 0.00 1.33 0.63 0.37 -0.00 0.00 0.00 178.16 180.49 3i1q h GLN 51 N 0.23 0.39 0.94 4.88 5.75 -1.56 0.31 115.11 126.04 3i1q h GLN 51 Ca -0.11 -0.02 -0.05 0.00 -0.15 0.00 0.00 58.65 58.32 3i1q h GLN 51 Cb 1.58 -0.09 0.01 0.00 1.07 0.00 0.00 27.48 30.05 3i1q h GLN 51 CO 0.18 0.26 -0.45 0.00 -2.65 0.00 0.00 178.83 176.16 3i1q h ARG 52 N 0.40 -1.21 -1.01 1.69 3.08 -1.63 -2.78 114.38 112.92 3i1q h ARG 52 Ca 0.68 0.08 0.24 0.00 0.07 0.00 0.00 59.98 61.06 3i1q h ARG 52 Cb 1.59 0.28 -0.12 0.00 0.08 0.00 0.00 29.97 31.80 3i1q h ARG 52 CO -0.47 -0.81 0.61 1.96 -1.07 0.00 0.00 179.97 180.19 3i1q h GLN 53 N -1.32 0.56 0.00 0.04 4.20 -1.09 0.19 115.11 117.69 3i1q h GLN 53 Ca -0.13 -0.03 0.00 0.00 0.06 0.00 0.00 58.65 58.55 3i1q h GLN 53 Cb 0.96 -0.13 0.00 0.00 0.30 0.00 0.00 27.48 28.62 3i1q h GLN 53 CO 0.21 0.37 0.00 1.28 -0.67 0.00 0.00 178.83 180.02 3i1q n LEU 54 N -4.82 0.00 -0.31 1.46 7.99 -0.28 -0.67 117.00 120.38 3i1q n LEU 54 Ca 0.26 0.94 0.30 0.00 -0.01 0.00 0.00 56.01 57.50 3i1q n LEU 54 Cb 0.74 -0.44 0.67 0.00 -0.11 0.00 0.00 43.42 44.29 3i1q n LEU 54 CO 0.19 -0.44 1.28 0.00 -1.51 0.00 0.00 177.39 176.91 3i1q h ALA 55 N -1.76 2.80 -1.75 -1.18 0.00 -1.16 0.40 119.26 116.60 3i1q h ALA 55 Ca 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 3i1q h ALA 55 Cb 0.00 0.07 0.00 0.00 0.00 0.00 0.00 17.79 17.86 3i1q h ALA 55 CO 0.00 -1.15 0.00 -2.13 0.00 0.00 0.00 179.25 175.97 3i1q n ARG 56 N -4.34 0.00 -0.32 0.00 0.63 0.01 -1.91 116.66 110.73 3i1q n ARG 56 Ca 0.25 0.21 0.24 0.00 -0.92 0.00 0.00 57.85 57.63 3i1q n ARG 56 Cb 1.09 -1.17 0.54 0.00 0.45 0.00 0.00 32.46 33.37 3i1q n ARG 56 CO 0.00 0.00 0.00 0.00 -2.51 0.00 0.00 177.63 175.12 3i1q h ALA 57 N -2.00 2.34 0.21 5.13 0.00 -0.34 0.98 119.26 125.57 3i1q h ALA 57 Ca 0.00 0.05 -0.01 0.00 0.00 0.00 0.00 54.91 54.95 3i1q h ALA 57 Cb 0.00 0.04 -0.01 0.00 0.00 0.00 0.00 17.79 17.82 3i1q h ALA 57 CO 0.00 -0.73 -0.21 0.82 0.00 0.00 0.00 179.25 179.12 3i1q h ILE 58 N 0.34 0.00 -0.65 0.00 2.04 -0.19 0.61 117.51 119.66 3i1q h ILE 58 Ca 0.59 0.00 0.14 0.00 1.00 0.00 0.00 64.86 66.59 3i1q h ILE 58 Cb 1.59 0.00 -0.11 0.00 -0.74 0.00 0.00 36.82 37.55 3i1q h ILE 58 CO -0.26 0.00 -0.04 0.11 0.00 0.00 0.00 178.15 177.96 3i1q h LYS 59 N -0.42 0.08 -0.58 2.37 1.57 -0.81 0.62 116.57 119.40 3i1q h LYS 59 Ca -0.03 -0.00 0.17 0.00 -1.87 0.00 0.00 60.65 58.92 3i1q h LYS 59 Cb 0.37 -0.02 -0.02 0.00 0.08 0.00 0.00 32.23 32.63 3i1q h LYS 59 CO -0.03 0.05 0.55 -0.09 -0.57 0.00 0.00 179.45 179.36 3i1q h ARG 60 N 0.08 0.00 0.00 3.15 2.43 0.27 0.68 114.38 121.00 3i1q h ARG 60 Ca 0.34 0.00 -0.25 0.00 -0.81 0.00 0.00 59.98 59.26 3i1q h ARG 60 Cb 0.56 0.00 -0.05 0.00 -0.42 0.00 0.00 29.97 30.06 3i1q h ARG 60 CO -0.59 0.00 -1.95 0.00 -1.51 0.00 0.00 179.97 175.91 3i1q n ALA 61 N -2.44 1.81 -0.21 2.80 0.00 0.20 -3.89 120.51 118.78 3i1q n ALA 61 Ca 0.11 -0.91 -0.09 0.00 0.00 0.00 0.00 53.44 52.56 3i1q n ALA 61 Cb 0.77 -0.59 0.03 0.00 0.00 0.00 0.00 19.45 19.66 3i1q n ALA 61 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3i1q h ARG 62 N 0.00 1.00 -0.54 0.00 3.08 0.52 0.25 114.38 118.69 3i1q h ARG 62 Ca -0.32 -0.27 -0.07 0.00 0.07 0.00 0.00 59.98 59.39 3i1q h ARG 62 Cb 1.85 -0.12 -0.02 0.00 0.08 0.00 0.00 29.97 31.76 3i1q h ARG 62 CO 0.04 0.94 0.07 1.88 -1.07 0.00 0.00 179.97 181.83 3i1q h TYR 63 N 0.90 0.91 -0.46 3.04 0.05 -0.76 -2.78 116.97 117.87 3i1q h TYR 63 Ca 0.18 -0.11 -0.22 0.00 0.05 0.00 0.00 58.73 58.63 3i1q h TYR 63 Cb 0.43 -0.26 -0.13 0.00 1.01 0.00 0.00 36.73 37.78 3i1q h TYR 63 CO 0.03 0.79 0.28 1.28 -1.05 0.00 0.00 178.16 179.50 3i1q n LEU 64 N -4.24 4.65 -2.05 3.88 4.77 -1.20 -4.84 117.00 117.96 3i1q n LEU 64 Ca 0.03 -2.43 -0.13 0.00 -0.03 0.00 0.00 56.01 53.46 3i1q n LEU 64 Cb 0.27 -0.66 -0.02 0.00 -2.33 0.00 0.00 43.42 40.68 3i1q n LEU 64 CO 0.41 0.73 -0.15 -0.24 -1.33 0.00 0.00 177.39 176.81 3i1q n SER 65 N -0.23 -3.86 -0.02 -1.43 2.88 -1.05 -4.83 113.62 105.08 3i1q n SER 65 Ca 0.27 0.23 -0.18 0.00 -1.33 0.00 0.00 58.87 57.87 3i1q n SER 65 Cb 1.03 -3.38 -0.14 0.00 -0.75 0.00 0.00 64.21 60.97 3i1q n SER 65 CO 0.00 0.00 0.00 -0.07 -1.23 0.00 0.00 175.04 173.74 3i1q h LEU 66 N 0.00 0.21 -8.54 2.46 3.38 -1.16 -3.47 115.31 108.18 3i1q h LEU 66 Ca -0.30 -0.91 -0.58 0.00 0.09 0.00 0.00 57.88 56.18 3i1q h LEU 66 Cb 1.09 -0.07 -0.26 0.00 0.09 0.00 0.00 40.66 41.52 3i1q h LEU 66 CO 0.38 1.26 -0.84 -0.76 0.09 0.00 0.00 178.44 178.57 3i1q s LEU 67 N -7.98 2.16 0.16 1.67 1.43 -0.73 -4.97 118.68 110.42 3i1q s LEU 67 Ca -0.18 -0.52 -0.30 0.00 -1.03 0.00 0.00 54.13 52.10 3i1q s LEU 67 Cb 0.00 -0.97 -0.07 0.00 0.03 0.00 0.00 46.19 45.18 3i1q s LEU 67 CO 0.74 0.16 1.05 -2.84 0.23 0.00 0.00 176.35 175.69 3i1q s PRO 68 N -1.15 4.64 0.00 1.29 0.02 -1.26 -4.07 135.00 134.47 3i1q s PRO 68 Ca 0.07 1.63 0.00 0.00 0.02 0.00 0.00 61.00 62.72 3i1q s PRO 68 Cb -0.09 -3.31 0.00 0.00 0.02 0.00 0.00 34.50 31.13 3i1q s PRO 68 CO 0.02 0.14 0.68 0.66 -0.33 0.00 0.00 177.00 178.16 3i1q n TYR 69 N 2.44 0.00 -0.60 6.54 4.02 -1.26 -4.73 117.16 123.57 3i1q n TYR 69 Ca 0.02 0.00 -0.17 0.00 -0.01 0.00 0.00 57.90 57.74 3i1q n TYR 69 Cb 0.47 -0.49 0.15 0.00 -0.02 0.00 0.00 39.34 39.45 3i1q n TYR 69 CO 0.00 0.00 0.00 -2.37 -1.01 0.00 0.00 176.86 173.48 3i1q n THR 70 N -1.98 0.00 0.08 -0.72 5.66 -1.26 -4.38 114.28 111.68 3i1q n THR 70 Ca 0.00 -0.19 0.01 0.00 -3.05 0.00 0.00 64.05 60.82 3i1q n THR 70 Cb 0.00 -0.95 -0.02 0.00 -1.55 0.00 0.00 70.33 67.81 3i1q n THR 70 CO 0.00 0.00 0.00 -0.90 -3.05 0.00 0.00 175.07 171.12 3i1q n ASP 71 N -4.26 1.75 0.00 1.09 5.68 -1.19 -4.57 116.55 115.05 3i1q n ASP 71 Ca 0.09 -0.35 0.00 0.00 -0.50 0.00 0.00 54.79 54.03 3i1q n ASP 71 Cb 0.34 1.05 0.00 0.00 -1.14 0.00 0.00 41.12 41.38 3i1q n ASP 71 CO 0.00 0.00 0.00 0.54 -1.33 0.00 0.00 177.20 176.41 3i1q n ARG 72 N -1.27 0.00 0.00 0.11 5.12 -1.26 -5.03 116.66 114.33 3i1q n ARG 72 Ca 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 57.85 55.92 3i1q n ARG 72 Cb 0.06 -0.76 0.00 0.00 -1.16 0.00 0.00 32.46 30.60 3i1q n ARG 72 CO 0.00 0.00 0.00 0.72 -1.93 0.00 0.00 177.63 176.42