#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3i1m n ILE 20 N 0.00 0.25 -3.82 6.31 -6.64 -1.26 -4.49 119.36 109.71 3i1m n ILE 20 Ca 0.00 -0.31 -0.13 0.00 -1.77 0.00 0.00 62.75 60.54 3i1m n ILE 20 Cb 0.00 -0.11 -0.13 0.00 -1.44 0.00 0.00 39.64 37.96 3i1m n ILE 20 CO 0.00 0.00 0.00 -0.62 -1.77 0.00 0.00 176.55 174.16 3i1m s ASP 21 N -3.61 -0.10 0.00 7.28 -1.08 -1.26 -5.03 116.67 112.87 3i1m s ASP 21 Ca -0.04 0.22 0.00 0.00 -0.52 0.00 0.00 52.55 52.20 3i1m s ASP 21 Cb 0.05 0.20 0.00 0.00 -1.46 0.00 0.00 42.92 41.71 3i1m s ASP 21 CO 0.44 -0.06 0.36 0.00 0.52 0.00 0.00 175.17 176.43 3i1m n TYR 22 N 3.25 0.00 0.00 -5.34 0.18 -1.26 -3.16 117.16 110.82 3i1m n TYR 22 Ca -0.15 -0.06 0.00 0.00 1.88 0.00 0.00 57.90 59.57 3i1m n TYR 22 Cb 0.58 -0.09 0.00 0.00 -0.38 0.00 0.00 39.34 39.45 3i1m n TYR 22 CO 0.00 0.00 0.00 1.63 -2.08 0.00 0.00 176.86 176.41 3i1m n LYS 23 N 0.30 4.83 -0.74 -3.48 5.02 -1.26 -4.53 118.16 118.30 3i1m n LYS 23 Ca 0.00 0.00 -0.09 0.00 -2.02 0.00 0.00 58.31 56.20 3i1m n LYS 23 Cb 0.18 -0.55 -0.12 0.00 -0.02 0.00 0.00 35.03 34.51 3i1m n LYS 23 CO 0.00 0.00 0.00 -0.25 -0.52 0.00 0.00 177.40 176.63 3i1m n ASP 24 N -0.97 3.95 0.17 4.39 9.92 -1.19 -4.55 116.55 128.27 3i1m n ASP 24 Ca 0.00 -2.23 0.18 0.00 -0.53 0.00 0.00 54.79 52.21 3i1m n ASP 24 Cb 0.00 -1.06 0.73 0.00 -0.64 0.00 0.00 41.12 40.14 3i1m n ASP 24 CO 0.00 0.00 0.00 0.16 0.13 0.00 0.00 177.20 177.49 3i1m h ILE 25 N 2.22 0.21 -0.00 0.53 3.07 -1.88 1.68 117.51 123.34 3i1m h ILE 25 Ca 0.14 0.00 0.00 0.00 1.55 0.00 0.00 64.86 66.55 3i1m h ILE 25 Cb 1.14 0.60 0.00 0.00 -0.27 0.00 0.00 36.82 38.28 3i1m h ILE 25 CO 0.29 0.00 -0.07 0.00 -1.05 0.00 0.00 178.15 177.32 3i1m n ALA 26 N -2.15 2.71 -0.07 0.16 0.00 -1.26 -2.40 120.51 117.51 3i1m n ALA 26 Ca 0.05 -0.27 -0.12 0.00 0.00 0.00 0.00 53.44 53.09 3i1m n ALA 26 Cb 0.60 -1.36 -0.06 0.00 0.00 0.00 0.00 19.45 18.64 3i1m n ALA 26 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 177.50 179.91 3i1m n THR 27 N -0.85 0.76 -0.33 0.00 -1.04 0.55 -4.62 114.28 108.74 3i1m n THR 27 Ca 0.17 -0.24 0.15 0.00 -2.04 0.00 0.00 64.05 62.08 3i1m n THR 27 Cb 0.26 -1.36 0.37 0.00 -1.82 0.00 0.00 70.33 67.78 3i1m n THR 27 CO 0.00 0.00 0.00 -0.07 -0.64 0.00 0.00 175.07 174.36 3i1m h LEU 28 N -0.27 0.70 -2.14 -4.42 4.07 -0.77 0.16 115.31 112.64 3i1m h LEU 28 Ca -0.33 0.08 0.00 0.00 0.08 0.00 0.00 57.88 57.71 3i1m h LEU 28 Cb 1.38 -0.04 0.00 0.00 1.08 0.00 0.00 40.66 43.08 3i1m h LEU 28 CO -0.14 0.25 0.03 0.07 -1.08 0.00 0.00 178.44 177.57 3i1m h LYS 29 N 0.68 0.00 0.00 1.13 2.10 -1.71 0.27 116.57 119.04 3i1m h LYS 29 Ca 0.56 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 59.21 3i1m h LYS 29 Cb 0.98 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.31 3i1m h LYS 29 CO -0.33 0.00 0.00 0.09 -2.00 0.00 0.00 179.45 177.21 3i1m n ASN 30 N -2.65 0.00 -0.10 7.07 5.03 0.58 -3.09 115.26 122.10 3i1m n ASN 30 Ca -0.02 -1.07 0.02 0.00 0.87 0.00 0.00 54.58 54.38 3i1m n ASN 30 Cb 0.08 0.00 0.02 0.00 -1.02 0.00 0.00 39.78 38.86 3i1m n ASN 30 CO 0.00 0.00 0.00 -1.22 -1.83 0.00 0.00 177.26 174.21 3i1m n TYR 31 N -0.80 0.00 -4.51 3.10 4.02 0.95 -5.04 117.16 114.89 3i1m n TYR 31 Ca 0.11 -0.31 -0.21 0.00 -0.01 0.00 0.00 57.90 57.48 3i1m n TYR 31 Cb 0.05 -0.05 -0.15 0.00 -0.02 0.00 0.00 39.34 39.17 3i1m n TYR 31 CO 0.00 0.00 0.00 0.96 -1.01 0.00 0.00 176.86 176.81 3i1m s ILE 32 N -0.76 0.93 1.42 -0.72 -4.36 -1.18 -0.72 121.20 115.82 3i1m s ILE 32 Ca 0.05 -0.47 -0.23 0.00 -0.26 0.00 0.00 60.65 59.74 3i1m s ILE 32 Cb 0.04 -0.80 0.37 0.00 1.25 0.00 0.00 42.46 43.32 3i1m s ILE 32 CO 0.00 0.27 0.94 0.28 0.24 0.00 0.00 174.94 176.68 3i1m s THR 33 N -0.05 1.19 0.22 8.37 -1.32 0.34 -4.78 115.64 119.62 3i1m s THR 33 Ca 0.00 0.00 -0.08 0.00 -1.21 0.00 0.00 61.69 60.41 3i1m s THR 33 Cb -0.07 -2.10 0.19 0.00 -1.51 0.00 0.00 72.50 69.01 3i1m s THR 33 CO 0.00 0.00 1.84 -0.33 -2.21 0.00 0.00 174.62 173.93 3i1m h GLU 34 N -3.41 1.21 0.00 7.08 5.08 -1.96 -1.36 114.58 121.21 3i1m h GLU 34 Ca -0.43 -0.14 0.00 0.00 -1.00 0.00 0.00 59.36 57.79 3i1m h GLU 34 Cb 1.34 -0.24 0.00 0.00 0.50 0.00 0.00 28.75 30.35 3i1m h GLU 34 CO 0.27 0.89 0.00 -1.13 -1.00 0.00 0.00 179.01 178.04 3i1m n SER 35 N -4.36 0.00 0.00 1.42 3.41 -1.26 -4.81 113.62 108.02 3i1m n SER 35 Ca 0.09 -0.89 0.00 0.00 -0.26 0.00 0.00 58.87 57.81 3i1m n SER 35 Cb 0.10 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.05 3i1m n SER 35 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3i1m n GLY 36 N 0.03 0.97 3.75 5.00 0.00 -0.51 -4.05 105.19 110.39 3i1m n GLY 36 Ca 0.04 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.65 3i1m n GLY 36 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3i1m s LYS 37 N -0.16 4.52 0.31 1.61 1.02 -1.26 -4.66 119.74 121.11 3i1m s LYS 37 Ca 0.00 1.93 -0.29 0.00 0.02 0.00 0.00 55.97 57.63 3i1m s LYS 37 Cb 0.00 -3.18 -0.11 0.00 -0.52 0.00 0.00 37.83 34.03 3i1m s LYS 37 CO 0.00 0.01 1.44 0.42 -0.92 0.00 0.00 175.35 176.31 3i1m s ILE 38 N -0.76 2.43 -0.27 2.17 1.01 -1.26 -0.51 121.20 124.01 3i1m s ILE 38 Ca 0.49 0.39 -0.12 0.00 0.00 0.00 0.00 60.65 61.41 3i1m s ILE 38 Cb -0.34 -3.25 -0.05 0.00 0.01 0.00 0.00 42.46 38.83 3i1m s ILE 38 CO 0.42 0.08 0.25 -0.69 0.00 0.00 0.00 174.94 175.00 3i1m s VAL 39 N -0.53 5.27 0.83 2.92 1.01 0.11 -4.84 120.40 125.16 3i1m s VAL 39 Ca 0.56 0.31 -0.14 0.00 0.00 0.00 0.00 61.98 62.71 3i1m s VAL 39 Cb -0.43 -3.59 0.04 0.00 0.00 0.00 0.00 36.38 32.40 3i1m s VAL 39 CO 0.51 0.22 0.75 -0.81 0.00 0.00 0.00 175.10 175.77 3i1m n PRO 40 N 5.10 0.03 0.06 2.72 -0.04 -1.26 -4.67 135.00 136.94 3i1m n PRO 40 Ca -0.12 0.07 -0.03 0.00 -0.04 0.00 0.00 63.50 63.38 3i1m n PRO 40 Cb 0.52 -2.07 0.19 0.00 -0.04 0.00 0.00 33.50 32.10 3i1m n PRO 40 CO 0.00 0.00 0.00 0.77 -0.04 0.00 0.00 175.50 176.23 3i1m h SER 41 N -1.01 0.37 0.00 3.54 0.02 -1.93 -1.89 113.55 112.64 3i1m h SER 41 Ca -0.45 -0.15 0.00 0.00 -0.84 0.00 0.00 61.79 60.35 3i1m h SER 41 Cb 1.31 -0.10 0.00 0.00 0.14 0.00 0.00 62.40 63.75 3i1m h SER 41 CO 0.41 0.72 0.28 -2.11 -1.14 0.00 0.00 176.83 175.00 3i1m n ARG 42 N -4.04 0.00 0.00 3.45 1.85 -1.26 0.19 116.66 116.85 3i1m n ARG 42 Ca -0.01 0.22 0.00 0.00 -1.00 0.00 0.00 57.85 57.05 3i1m n ARG 42 Cb 0.48 -1.78 0.00 0.00 -1.05 0.00 0.00 32.46 30.10 3i1m n ARG 42 CO 0.00 0.00 0.00 -0.89 -0.01 0.00 0.00 177.63 176.73 3i1m n ILE 43 N -1.22 0.00 0.92 8.89 2.08 -0.98 -4.70 119.36 124.35 3i1m n ILE 43 Ca -0.00 0.00 0.13 0.00 0.56 0.00 0.00 62.75 63.44 3i1m n ILE 43 Cb 0.28 -0.36 0.49 0.00 -0.75 0.00 0.00 39.64 39.31 3i1m n ILE 43 CO 0.00 0.00 0.00 0.35 0.56 0.00 0.00 176.55 177.46 3i1m n THR 44 N -2.19 0.11 -0.82 1.39 -2.24 -0.75 -4.88 114.28 104.89 3i1m n THR 44 Ca 0.00 -0.06 0.00 0.00 -2.27 0.00 0.00 64.05 61.72 3i1m n THR 44 Cb 0.35 -0.34 0.00 0.00 -2.10 0.00 0.00 70.33 68.24 3i1m n THR 44 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3i1m n GLY 45 N 1.46 0.02 3.75 3.38 0.00 0.52 -4.91 105.19 109.40 3i1m n GLY 45 Ca 0.06 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.72 3i1m n GLY 45 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 3i1m s THR 46 N -1.04 2.41 0.03 2.61 -1.32 -1.25 -4.99 115.64 112.08 3i1m s THR 46 Ca 0.00 0.26 -0.00 0.00 -1.21 0.00 0.00 61.69 60.74 3i1m s THR 46 Cb 0.00 -3.11 0.01 0.00 -1.51 0.00 0.00 72.50 67.88 3i1m s THR 46 CO 0.00 -0.05 0.01 0.54 -2.21 0.00 0.00 174.62 172.92 3i1m n ARG 47 N -1.54 -1.19 -0.08 7.08 5.12 -1.26 -4.80 116.66 119.99 3i1m n ARG 47 Ca 0.13 -0.02 -0.21 0.00 -1.93 0.00 0.00 57.85 55.82 3i1m n ARG 47 Cb 0.48 -0.03 -0.12 0.00 -1.16 0.00 0.00 32.46 31.63 3i1m n ARG 47 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70 3i1m h ALA 48 N -1.82 0.28 0.03 7.54 0.00 -2.01 -3.32 119.26 119.95 3i1m h ALA 48 Ca -0.01 -1.21 -0.23 0.00 0.00 0.00 0.00 54.91 53.47 3i1m h ALA 48 Cb 0.02 0.69 -0.00 0.00 0.00 0.00 0.00 17.79 18.50 3i1m h ALA 48 CO 0.00 0.78 -0.98 -0.22 0.00 0.00 0.00 179.25 178.84 3i1m h LYS 49 N -0.78 0.30 -0.05 0.00 3.64 -2.02 -3.36 116.57 114.31 3i1m h LYS 49 Ca -0.35 -0.36 -0.02 0.00 -1.27 0.00 0.00 60.65 58.65 3i1m h LYS 49 Cb 1.44 0.11 -0.00 0.00 -0.41 0.00 0.00 32.23 33.37 3i1m h LYS 49 CO -0.14 1.08 -0.04 1.88 -2.27 0.00 0.00 179.45 179.95 3i1m h TYR 50 N 0.15 0.14 -0.87 1.91 0.99 -1.95 -2.83 116.97 114.52 3i1m h TYR 50 Ca -0.08 -0.04 0.23 0.00 2.00 0.00 0.00 58.73 60.84 3i1m h TYR 50 Cb 1.64 -0.03 -0.15 0.00 1.00 0.00 0.00 36.73 39.19 3i1m h TYR 50 CO 0.05 0.56 0.15 0.37 -0.00 0.00 0.00 178.16 179.29 3i1m h GLN 51 N -0.31 0.14 0.36 4.88 5.75 -1.70 1.71 115.11 125.94 3i1m h GLN 51 Ca 0.01 -0.01 -0.01 0.00 -0.15 0.00 0.00 58.65 58.49 3i1m h GLN 51 Cb 0.53 -0.03 -0.02 0.00 1.07 0.00 0.00 27.48 29.04 3i1m h GLN 51 CO 0.01 0.09 -0.36 0.00 -2.65 0.00 0.00 178.83 175.93 3i1m h ARG 52 N 0.15 -0.69 -1.04 1.69 3.08 -1.69 -1.19 114.38 114.70 3i1m h ARG 52 Ca 0.53 0.05 0.26 0.00 0.07 0.00 0.00 59.98 60.89 3i1m h ARG 52 Cb 1.04 0.16 -0.10 0.00 0.08 0.00 0.00 29.97 31.15 3i1m h ARG 52 CO -0.70 -0.46 0.65 1.96 -1.07 0.00 0.00 179.97 180.35 3i1m h GLN 53 N -0.71 0.44 0.00 0.04 4.20 -0.32 -1.08 115.11 117.67 3i1m h GLN 53 Ca -0.04 -0.03 0.00 0.00 0.06 0.00 0.00 58.65 58.64 3i1m h GLN 53 Cb 0.62 -0.10 0.00 0.00 0.30 0.00 0.00 27.48 28.30 3i1m h GLN 53 CO -0.04 0.29 0.00 -0.11 -0.67 0.00 0.00 178.83 178.29 3i1m n LEU 54 N -4.71 0.00 -0.30 1.46 -0.00 0.55 -1.89 117.00 112.10 3i1m n LEU 54 Ca 0.26 0.92 0.11 0.00 -0.00 0.00 0.00 56.01 57.30 3i1m n LEU 54 Cb 0.85 -0.42 0.24 0.00 -0.00 0.00 0.00 43.42 44.09 3i1m n LEU 54 CO 0.22 -0.42 0.84 0.00 -0.00 0.00 0.00 177.39 178.04 3i1m h ALA 55 N -1.76 1.04 -0.32 1.96 0.00 -0.78 0.25 119.26 119.65 3i1m h ALA 55 Ca 0.00 0.28 0.07 0.00 0.00 0.00 0.00 54.91 55.26 3i1m h ALA 55 Cb 0.00 0.47 -0.08 0.00 0.00 0.00 0.00 17.79 18.18 3i1m h ALA 55 CO 0.00 -0.49 -0.35 -0.09 0.00 0.00 0.00 179.25 178.32 3i1m h ARG 56 N 0.09 -0.31 0.00 0.00 2.43 -1.01 0.12 114.38 115.70 3i1m h ARG 56 Ca 0.52 0.02 0.00 0.00 -0.81 0.00 0.00 59.98 59.71 3i1m h ARG 56 Cb 1.01 0.07 0.00 0.00 -0.42 0.00 0.00 29.97 30.63 3i1m h ARG 56 CO -0.77 -0.20 0.00 0.00 -1.51 0.00 0.00 179.97 177.49 3i1m n ALA 57 N -2.97 1.93 -0.04 2.80 0.00 -0.10 -0.75 120.51 121.37 3i1m n ALA 57 Ca -0.01 0.04 -0.00 0.00 0.00 0.00 0.00 53.44 53.47 3i1m n ALA 57 Cb 0.34 -1.42 -0.00 0.00 0.00 0.00 0.00 19.45 18.37 3i1m n ALA 57 CO 0.00 0.00 0.00 0.82 0.00 0.00 0.00 177.50 178.32 3i1m h ILE 58 N 0.00 0.00 -0.54 0.00 2.04 0.84 -1.48 117.51 118.38 3i1m h ILE 58 Ca 0.00 -0.87 0.07 0.00 1.00 0.00 0.00 64.86 65.05 3i1m h ILE 58 Cb 0.52 0.00 -0.09 0.00 -0.74 0.00 0.00 36.82 36.51 3i1m h ILE 58 CO 0.00 0.00 -0.53 0.11 0.00 0.00 0.00 178.15 177.73 3i1m h LYS 59 N -0.89 -0.29 -0.96 2.37 1.57 -0.94 0.46 116.57 117.90 3i1m h LYS 59 Ca -0.00 0.02 0.24 0.00 -1.87 0.00 0.00 60.65 59.04 3i1m h LYS 59 Cb 0.01 0.07 -0.18 0.00 0.08 0.00 0.00 32.23 32.21 3i1m h LYS 59 CO 0.00 -0.19 -0.07 -2.13 -0.57 0.00 0.00 179.45 176.49 3i1m n ARG 60 N -5.37 -0.08 0.17 3.15 0.63 0.07 -0.29 116.66 114.95 3i1m n ARG 60 Ca -0.01 1.46 -0.14 0.00 -0.92 0.00 0.00 57.85 58.23 3i1m n ARG 60 Cb 0.33 -2.26 -0.08 0.00 0.45 0.00 0.00 32.46 30.90 3i1m n ARG 60 CO 0.00 0.00 0.00 0.00 -2.51 0.00 0.00 177.63 175.12 3i1m h ALA 61 N 1.92 -0.42 -0.71 5.13 0.00 0.57 -3.21 119.26 122.53 3i1m h ALA 61 Ca 0.54 -0.17 0.15 0.00 0.00 0.00 0.00 54.91 55.43 3i1m h ALA 61 Cb 1.02 0.16 -0.13 0.00 0.00 0.00 0.00 17.79 18.85 3i1m h ALA 61 CO -0.93 -0.61 -0.10 0.00 0.00 0.00 0.00 179.25 177.61 3i1m h ARG 62 N -0.68 0.04 0.00 0.00 3.08 0.28 0.20 114.38 117.30 3i1m h ARG 62 Ca -0.04 -0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.00 3i1m h ARG 62 Cb 0.47 -0.01 0.00 0.00 0.08 0.00 0.00 29.97 30.52 3i1m h ARG 62 CO 0.07 0.03 0.00 0.66 -1.07 0.00 0.00 179.97 179.66 3i1m n TYR 63 N -5.41 0.00 -1.31 3.04 4.01 -0.19 -0.32 117.16 116.98 3i1m n TYR 63 Ca 0.10 0.00 0.05 0.00 -0.16 0.00 0.00 57.90 57.89 3i1m n TYR 63 Cb 0.40 -0.16 0.20 0.00 -0.31 0.00 0.00 39.34 39.46 3i1m n TYR 63 CO 0.00 0.00 0.00 1.28 -0.46 0.00 0.00 176.86 177.68 3i1m n LEU 64 N -1.16 3.18 -4.21 7.72 4.77 0.67 -4.97 117.00 123.00 3i1m n LEU 64 Ca 0.04 -3.49 -0.32 0.00 -0.03 0.00 0.00 56.01 52.22 3i1m n LEU 64 Cb 0.04 -0.53 -0.09 0.00 -2.33 0.00 0.00 43.42 40.51 3i1m n LEU 64 CO 0.05 1.05 -0.36 -0.24 -1.33 0.00 0.00 177.39 176.55 3i1m n SER 65 N -1.11 0.19 -0.10 -1.43 2.88 0.56 -4.79 113.62 109.83 3i1m n SER 65 Ca 0.22 -1.17 -0.10 0.00 -1.33 0.00 0.00 58.87 56.49 3i1m n SER 65 Cb 0.80 -1.47 -0.16 0.00 -0.75 0.00 0.00 64.21 62.64 3i1m n SER 65 CO 0.00 0.00 0.00 0.18 -1.23 0.00 0.00 175.04 173.99 3i1m n LEU 66 N -4.17 0.17 -4.24 2.46 4.77 -1.12 -4.98 117.00 109.88 3i1m n LEU 66 Ca -0.19 -0.00 -0.14 0.00 -0.03 0.00 0.00 56.01 55.65 3i1m n LEU 66 Cb 0.58 0.42 -0.10 0.00 -2.33 0.00 0.00 43.42 41.99 3i1m n LEU 66 CO 0.81 0.52 -0.41 -0.76 -1.33 0.00 0.00 177.39 176.23 3i1m s LEU 67 N -5.55 2.53 0.33 2.23 1.43 -1.26 -4.95 118.68 113.44 3i1m s LEU 67 Ca -0.11 -1.01 -0.24 0.00 -1.03 0.00 0.00 54.13 51.74 3i1m s LEU 67 Cb 0.06 -0.32 -0.10 0.00 0.03 0.00 0.00 46.19 45.86 3i1m s LEU 67 CO 0.82 -0.34 0.92 -2.84 0.23 0.00 0.00 176.35 175.13 3i1m s PRO 68 N -3.73 4.46 -0.10 1.29 0.02 -1.26 -4.44 135.00 131.24 3i1m s PRO 68 Ca 0.16 1.22 -0.03 0.00 0.02 0.00 0.00 61.00 62.37 3i1m s PRO 68 Cb 0.03 -2.67 -0.01 0.00 0.02 0.00 0.00 34.50 31.87 3i1m s PRO 68 CO -0.00 0.23 -0.05 1.88 -0.33 0.00 0.00 177.00 178.73 3i1m h TYR 69 N 2.92 0.00 -4.45 6.54 -1.99 -1.91 -3.46 116.97 114.62 3i1m h TYR 69 Ca -0.47 0.00 -0.49 0.00 2.00 0.00 0.00 58.73 59.77 3i1m h TYR 69 Cb 1.19 0.00 0.09 0.00 2.00 0.00 0.00 36.73 40.01 3i1m h TYR 69 CO 0.62 0.00 0.40 -0.08 -0.00 0.00 0.00 178.16 179.10 3i1m s THR 70 N -1.66 3.26 -2.35 -2.88 -1.32 -1.26 -4.56 115.64 104.86 3i1m s THR 70 Ca -0.04 0.41 0.23 0.00 -1.21 0.00 0.00 61.69 61.08 3i1m s THR 70 Cb 0.01 -3.35 0.47 0.00 -1.51 0.00 0.00 72.50 68.12 3i1m s THR 70 CO 0.06 -0.53 1.43 -0.90 -2.21 0.00 0.00 174.62 172.47 3i1m n ASP 71 N -3.13 3.59 0.06 8.08 5.68 -1.26 -4.44 116.55 125.13 3i1m n ASP 71 Ca 0.07 -1.99 -0.09 0.00 -0.50 0.00 0.00 54.79 52.28 3i1m n ASP 71 Cb 0.57 -0.30 -0.13 0.00 -1.14 0.00 0.00 41.12 40.12 3i1m n ASP 71 CO 0.00 0.00 0.00 0.03 -1.33 0.00 0.00 177.20 175.90 3i1m h ARG 72 N 4.44 0.05 -0.02 0.11 2.47 -1.94 -3.51 114.38 115.98 3i1m h ARG 72 Ca 0.00 -0.08 0.00 0.00 -1.26 0.00 0.00 59.98 58.64 3i1m h ARG 72 Cb 0.99 0.03 0.00 0.00 -1.65 0.00 0.00 29.97 29.34 3i1m h ARG 72 CO 0.00 0.97 0.00 0.72 0.56 0.00 0.00 179.97 182.22