#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1q7i n LYS 2 N 0.00 -4.09 -2.20 1.61 4.81 -1.26 -4.94 118.16 112.09 1q7i n LYS 2 Ca 0.00 3.15 -0.25 0.00 -0.87 0.00 0.00 58.31 60.34 1q7i n LYS 2 Cb 0.00 -5.21 0.01 0.00 0.02 0.00 0.00 35.03 29.85 1q7i n LYS 2 CO 0.00 0.00 0.00 -0.85 1.17 0.00 0.00 177.40 177.72 1q7i n GLU 3 N 1.24 3.54 -3.29 1.64 0.28 -1.26 -4.91 120.64 117.88 1q7i n GLU 3 Ca -0.22 -4.30 -0.42 0.00 -0.16 0.00 0.00 57.16 52.05 1q7i n GLU 3 Cb 0.35 -2.27 -0.01 0.00 1.43 0.00 0.00 31.44 30.94 1q7i n GLU 3 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 177.13 176.97 1q7i h ASP 5 N 6.02 0.28 -4.47 0.00 1.82 0.49 -3.40 116.42 117.16 1q7i h ASP 5 Ca 0.18 0.17 -0.13 0.00 -0.39 0.00 0.00 57.03 56.86 1q7i h ASP 5 Cb 0.77 0.16 -0.22 0.00 0.68 0.00 0.00 39.33 40.71 1q7i h ASP 5 CO 1.08 -0.23 -0.30 0.00 -1.61 0.00 0.00 179.24 178.18 1q7i n SER 7 N 2.01 7.27 -3.56 0.00 3.41 -1.26 -4.82 113.62 116.67 1q7i n SER 7 Ca -0.18 -3.55 -0.17 0.00 -0.26 0.00 0.00 58.87 54.71 1q7i n SER 7 Cb 0.57 -1.03 -0.14 0.00 -0.26 0.00 0.00 64.21 63.35 1q7i n SER 7 CO 0.00 0.00 0.00 -0.94 -0.16 0.00 0.00 175.04 173.94 1q7i s SER 8 N -1.04 1.12 0.47 4.04 1.04 -1.26 -5.00 113.70 113.07 1q7i s SER 8 Ca 0.54 0.01 0.26 0.00 0.48 0.00 0.00 55.95 57.23 1q7i s SER 8 Cb 0.42 0.39 0.65 0.00 0.10 0.00 0.00 66.02 67.58 1q7i s SER 8 CO -0.07 -0.30 1.72 1.55 0.98 0.00 0.00 173.24 177.13 1q7i h PRO 9 N 8.32 0.00 0.00 4.02 0.13 -1.96 -3.05 132.00 139.46 1q7i h PRO 9 Ca -0.16 0.00 -0.11 0.00 -0.87 0.00 0.00 66.00 64.87 1q7i h PRO 9 Cb 1.14 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 32.25 1q7i h PRO 9 CO 0.23 0.00 -0.51 0.93 -0.23 0.00 0.00 178.00 178.42 1q7i h GLU 10 N 0.00 0.00 -6.77 0.86 5.08 -1.97 -3.45 114.58 108.33 1q7i h GLU 10 Ca 0.00 0.00 -0.53 0.00 -1.00 0.00 0.00 59.36 57.83 1q7i h GLU 10 Cb 0.85 0.00 0.08 0.00 0.50 0.00 0.00 28.75 30.18 1q7i h GLU 10 CO 0.00 0.50 0.92 1.21 -1.00 0.00 0.00 179.01 180.64 1q7i s ASN 11 N -6.45 6.36 0.00 1.42 2.47 -1.15 -4.84 114.94 112.75 1q7i s ASN 11 Ca 0.04 2.94 0.00 0.00 0.42 0.00 0.00 52.86 56.26 1q7i s ASN 11 Cb 0.08 -2.63 0.00 0.00 -1.45 0.00 0.00 41.25 37.25 1q7i s ASN 11 CO 0.75 -0.94 1.49 -0.81 -3.72 0.00 0.00 177.10 173.87 1q7i n PRO 12 N 2.62 0.94 -0.25 0.43 -0.04 -1.26 -3.10 135.00 134.35 1q7i n PRO 12 Ca 0.10 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.56 1q7i n PRO 12 Cb 0.37 -1.03 0.00 0.00 -0.04 0.00 0.00 33.50 32.80 1q7i n PRO 12 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1q7i s ASP 15 N -3.57 3.66 0.66 0.00 -1.08 0.41 -3.42 116.67 113.32 1q7i s ASP 15 Ca 0.32 -1.36 0.36 0.00 -0.52 0.00 0.00 52.55 51.35 1q7i s ASP 15 Cb 0.03 -0.72 1.95 0.00 -1.46 0.00 0.00 42.92 42.73 1q7i s ASP 15 CO 0.15 -0.39 2.11 0.00 0.52 0.00 0.00 175.17 177.57 1q7i h ALA 16 N 8.18 1.25 -0.96 3.66 0.00 -1.92 1.13 119.26 130.60 1q7i h ALA 16 Ca -0.15 -0.00 0.02 0.00 0.00 0.00 0.00 54.91 54.77 1q7i h ALA 16 Cb 1.04 0.00 -0.05 0.00 0.00 0.00 0.00 17.79 18.78 1q7i h ALA 16 CO 0.43 -0.20 0.63 0.00 0.00 0.00 0.00 179.25 180.11 1q7i h ALA 17 N 1.63 1.22 0.00 0.00 0.00 -1.93 -3.26 119.26 116.92 1q7i h ALA 17 Ca 0.01 -0.06 -0.07 0.00 0.00 0.00 0.00 54.91 54.79 1q7i h ALA 17 Cb 0.40 -0.38 -0.15 0.00 0.00 0.00 0.00 17.79 17.66 1q7i h ALA 17 CO -0.00 0.58 -0.67 0.25 0.00 0.00 0.00 179.25 179.41 1q7i n THR 18 N -4.43 0.30 -1.16 0.00 -2.24 -0.18 -4.97 114.28 101.61 1q7i n THR 18 Ca 0.11 -0.80 -0.09 0.00 -2.27 0.00 0.00 64.05 61.00 1q7i n THR 18 Cb 0.03 0.59 -0.04 0.00 -2.10 0.00 0.00 70.33 68.81 1q7i n THR 18 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1q7i s LYS 20 N -2.56 1.83 -0.09 0.00 1.02 -1.05 0.11 119.74 119.00 1q7i s LYS 20 Ca 0.00 -2.00 -0.36 0.00 0.02 0.00 0.00 55.97 53.63 1q7i s LYS 20 Cb 0.00 -1.45 -0.17 0.00 -0.52 0.00 0.00 37.83 35.69 1q7i s LYS 20 CO 0.00 -0.03 1.03 1.28 -0.92 0.00 0.00 175.35 176.71 1q7i n LEU 21 N -0.84 0.20 -0.08 3.17 4.77 -1.26 0.15 117.00 123.12 1q7i n LEU 21 Ca -0.04 1.02 -0.14 0.00 -0.03 0.00 0.00 56.01 56.81 1q7i n LEU 21 Cb 0.66 -0.80 -0.09 0.00 -2.33 0.00 0.00 43.42 40.86 1q7i n LEU 21 CO 0.46 -1.48 -0.09 -0.09 -1.33 0.00 0.00 177.39 174.85 1q7i h ARG 22 N 2.97 0.00 0.00 3.23 2.43 -1.55 -3.40 114.38 118.06 1q7i h ARG 22 Ca -0.43 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 58.74 1q7i h ARG 22 Cb 1.24 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.79 1q7i h ARG 22 CO 0.63 0.76 0.00 -0.35 -1.51 0.00 0.00 179.97 179.50 1q7i n PRO 23 N -4.57 0.28 -0.52 0.20 -0.04 -1.26 -4.94 135.00 124.15 1q7i n PRO 23 Ca -0.17 0.00 0.04 0.00 -0.04 0.00 0.00 63.50 63.34 1q7i n PRO 23 Cb 0.47 0.00 0.24 0.00 -0.04 0.00 0.00 33.50 34.17 1q7i n PRO 23 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1q7i n GLY 24 N 5.00 2.30 3.34 0.55 0.00 -1.26 -4.94 105.19 110.18 1q7i n GLY 24 Ca 0.00 -0.55 -0.29 0.00 0.00 0.00 0.00 46.02 45.18 1q7i n GLY 24 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1q7i n ALA 25 N 0.41 -3.95 0.82 4.61 0.00 -1.26 -4.93 120.51 116.21 1q7i n ALA 25 Ca 0.17 -1.53 0.09 0.00 0.00 0.00 0.00 53.44 52.17 1q7i n ALA 25 Cb 0.79 -1.78 0.01 0.00 0.00 0.00 0.00 19.45 18.47 1q7i n ALA 25 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.50 178.54 1q7i n GLN 26 N -5.15 1.55 -3.65 0.00 3.00 -1.12 -5.00 117.38 107.01 1q7i n GLN 26 Ca 0.07 -1.01 -0.02 0.00 -0.01 0.00 0.00 57.00 56.03 1q7i n GLN 26 Cb 0.56 -1.35 -0.03 0.00 0.00 0.00 0.00 30.24 29.42 1q7i n GLN 26 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.06 177.06 1q7i n GLY 28 N 0.14 -0.59 0.00 0.00 0.00 -1.26 -4.21 105.19 99.27 1q7i n GLY 28 Ca 0.05 -0.29 0.00 0.00 0.00 0.00 0.00 46.02 45.78 1q7i n GLY 28 CO 0.00 0.00 0.00 -1.84 0.00 0.00 0.00 173.32 171.48 1q7i n GLU 29 N -2.03 0.00 -1.88 1.61 -0.00 -1.26 -4.90 120.64 112.18 1q7i n GLU 29 Ca -0.05 0.00 -0.01 0.00 -0.00 0.00 0.00 57.16 57.10 1q7i n GLU 29 Cb 0.43 0.00 0.00 0.00 -0.00 0.00 0.00 31.44 31.87 1q7i n GLU 29 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.13 177.54 1q7i n GLY 30 N -0.00 1.21 0.17 -1.84 0.00 -1.26 -4.95 105.19 98.51 1q7i n GLY 30 Ca 0.00 -0.97 0.13 0.00 0.00 0.00 0.00 46.02 45.18 1q7i n GLY 30 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 1q7i h LEU 31 N 0.00 0.00 -5.43 0.99 7.12 -0.85 -3.38 115.31 113.77 1q7i h LEU 31 Ca -0.05 0.00 -0.36 0.00 0.13 0.00 0.00 57.88 57.60 1q7i h LEU 31 Cb 0.23 0.00 -0.24 0.00 -0.53 0.00 0.00 40.66 40.12 1q7i h LEU 31 CO 0.07 0.00 -0.75 0.00 -0.13 0.00 0.00 178.44 177.64 1q7i n GLU 34 N 4.10 0.93 -1.56 0.00 -0.58 -0.11 -4.78 120.64 118.64 1q7i n GLU 34 Ca -0.25 0.00 -0.14 0.00 -0.42 0.00 0.00 57.16 56.35 1q7i n GLU 34 Cb 0.51 0.00 -0.08 0.00 -0.57 0.00 0.00 31.44 31.29 1q7i n GLU 34 CO 0.00 0.00 0.00 1.04 -0.48 0.00 0.00 177.13 177.69 1q7i n GLN 35 N -0.07 0.50 -3.88 3.49 6.02 -1.26 -2.93 117.38 119.25 1q7i n GLN 35 Ca 0.00 -0.85 -0.27 0.00 -0.01 0.00 0.00 57.00 55.87 1q7i n GLN 35 Cb 0.00 -3.55 0.02 0.00 1.02 0.00 0.00 30.24 27.73 1q7i n GLN 35 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 1q7i s LYS 37 N -6.43 0.35 -0.01 0.00 -0.14 -1.15 -2.81 119.74 109.56 1q7i s LYS 37 Ca 0.34 0.88 -0.36 0.00 -1.36 0.00 0.00 55.97 55.46 1q7i s LYS 37 Cb -0.17 0.11 -0.15 0.00 -1.68 0.00 0.00 37.83 35.94 1q7i s LYS 37 CO 0.84 -0.20 1.58 1.19 -0.76 0.00 0.00 175.35 178.01 1q7i n PHE 38 N 4.74 1.95 -0.49 3.18 3.72 -1.26 -0.93 117.46 128.36 1q7i n PHE 38 Ca -0.17 0.42 -0.31 0.00 -0.05 0.00 0.00 57.45 57.35 1q7i n PHE 38 Cb 0.53 -2.47 0.28 0.00 -0.94 0.00 0.00 39.48 36.89 1q7i n PHE 38 CO 0.00 0.00 0.00 0.43 -0.05 0.00 0.00 176.76 177.14 1q7i n SER 39 N 4.10 -3.55 -4.94 4.37 7.64 -1.04 -4.73 113.62 115.47 1q7i n SER 39 Ca 0.21 -0.98 -0.28 0.00 1.01 0.00 0.00 58.87 58.83 1q7i n SER 39 Cb 0.21 -1.01 -0.03 0.00 -1.01 0.00 0.00 64.21 62.37 1q7i n SER 39 CO 0.00 0.00 0.00 -0.60 -3.01 0.00 0.00 175.04 171.43 1q7i s ARG 40 N -5.24 3.44 0.00 1.43 6.06 -1.26 -4.57 118.95 118.81 1q7i s ARG 40 Ca 0.69 -0.55 0.00 0.00 -2.50 0.00 0.00 55.73 53.37 1q7i s ARG 40 Cb -0.10 -2.99 0.00 0.00 0.06 0.00 0.00 34.95 31.92 1q7i s ARG 40 CO 0.56 0.55 0.00 0.00 -2.50 0.00 0.00 175.30 173.91 1q7i n ALA 41 N -0.30 0.00 -2.33 6.12 0.00 0.15 -3.22 120.51 120.93 1q7i n ALA 41 Ca -0.06 0.00 -0.12 0.00 0.00 0.00 0.00 53.44 53.26 1q7i n ALA 41 Cb 0.53 0.00 -0.01 0.00 0.00 0.00 0.00 19.45 19.97 1q7i n ALA 41 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1q7i n GLY 42 N 0.00 -0.33 3.55 0.00 0.00 -0.59 -4.79 105.19 103.03 1q7i n GLY 42 Ca 0.00 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.68 1q7i n GLY 42 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1q7i s LYS 43 N -4.81 3.80 -0.27 1.61 2.20 -1.20 -4.82 119.74 116.24 1q7i s LYS 43 Ca 0.00 -0.44 -0.29 0.00 -0.36 0.00 0.00 55.97 54.88 1q7i s LYS 43 Cb 0.00 -3.06 0.00 0.00 -1.51 0.00 0.00 37.83 33.26 1q7i s LYS 43 CO 0.00 0.23 1.22 -1.50 -0.36 0.00 0.00 175.35 174.95 1q7i s ILE 44 N 0.42 4.29 -0.23 5.43 1.10 -1.26 0.12 121.20 131.08 1q7i s ILE 44 Ca -0.01 1.49 0.21 0.00 -0.51 0.00 0.00 60.65 61.84 1q7i s ILE 44 Cb -0.13 -4.19 -0.30 0.00 0.15 0.00 0.00 42.46 37.98 1q7i s ILE 44 CO 0.02 -0.39 0.55 0.00 -2.11 0.00 0.00 174.94 173.01 1q7i n ARG 46 N -2.06 0.00 -4.20 0.00 0.00 -1.26 -4.97 116.66 104.18 1q7i n ARG 46 Ca -0.02 0.00 -0.16 0.00 -0.00 0.00 0.00 57.85 57.67 1q7i n ARG 46 Cb 0.49 0.00 -0.14 0.00 0.00 0.00 0.00 32.46 32.82 1q7i n ARG 46 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 177.63 176.13 1q7i s ILE 47 N -2.99 0.57 0.39 5.15 2.07 -1.26 -3.79 121.20 121.35 1q7i s ILE 47 Ca 0.00 -0.55 -0.02 0.00 -1.41 0.00 0.00 60.65 58.67 1q7i s ILE 47 Cb 0.00 -0.53 0.08 0.00 0.13 0.00 0.00 42.46 42.14 1q7i s ILE 47 CO 0.00 -0.00 0.54 0.00 -1.91 0.00 0.00 174.94 173.57 1q7i n ALA 48 N 2.46 -0.11 -1.00 1.50 0.00 -1.26 -4.90 120.51 117.19 1q7i n ALA 48 Ca -0.16 -0.95 0.00 0.00 0.00 0.00 0.00 53.44 52.34 1q7i n ALA 48 Cb 0.57 0.11 0.00 0.00 0.00 0.00 0.00 19.45 20.13 1q7i n ALA 48 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 1q7i n ARG 49 N -2.04 0.00 -3.30 0.00 5.12 -1.26 -4.91 116.66 110.28 1q7i n ARG 49 Ca 0.08 0.00 -0.05 0.00 -1.93 0.00 0.00 57.85 55.95 1q7i n ARG 49 Cb 0.29 -0.61 -0.06 0.00 -1.16 0.00 0.00 32.46 30.92 1q7i n ARG 49 CO 0.00 0.00 0.00 0.20 -1.93 0.00 0.00 177.63 175.90 1q7i s GLY 50 N -0.02 -0.58 0.00 -0.13 0.00 -1.26 -5.06 107.32 100.26 1q7i s GLY 50 Ca 0.00 1.19 0.00 0.00 0.00 0.00 0.00 44.72 45.91 1q7i s GLY 50 CO 0.00 2.87 0.00 1.34 0.00 0.00 0.00 173.10 177.31 1q7i n ASP 51 N 5.38 -1.76 0.00 1.64 2.03 -1.26 -5.12 116.55 117.47 1q7i n ASP 51 Ca -0.03 0.00 0.00 0.00 0.52 0.00 0.00 54.79 55.28 1q7i n ASP 51 Cb 0.50 -0.88 0.00 0.00 -0.72 0.00 0.00 41.12 40.03 1q7i n ASP 51 CO 0.00 0.00 0.00 -2.67 -1.92 0.00 0.00 177.20 172.61 1q7i n TRP 52 N 0.23 0.00 -3.26 -0.67 -0.00 -1.26 -5.09 117.44 107.39 1q7i n TRP 52 Ca 0.00 0.00 -0.41 0.00 -0.00 0.00 0.00 57.50 57.09 1q7i n TRP 52 Cb 0.00 0.00 -0.08 0.00 -0.00 0.00 0.00 31.31 31.23 1q7i n TRP 52 CO 0.00 0.00 0.00 -0.80 -0.00 0.00 0.00 177.69 176.89 1q7i s ASN 53 N -4.00 6.33 1.15 -0.67 0.01 -1.26 -5.05 114.94 111.45 1q7i s ASN 53 Ca 0.00 0.10 -0.13 0.00 -0.71 0.00 0.00 52.86 52.11 1q7i s ASN 53 Cb 0.00 -2.26 0.26 0.00 0.41 0.00 0.00 41.25 39.66 1q7i s ASN 53 CO 0.00 -0.41 0.90 -0.90 -1.51 0.00 0.00 177.10 175.17 1q7i n ASP 54 N 5.66 -1.69 -4.70 -1.22 5.68 -1.26 -4.82 116.55 114.19 1q7i n ASP 54 Ca -0.05 -0.12 -0.42 0.00 -0.50 0.00 0.00 54.79 53.70 1q7i n ASP 54 Cb 0.49 -1.24 -0.03 0.00 -1.14 0.00 0.00 41.12 39.20 1q7i n ASP 54 CO 0.00 0.00 0.00 -0.62 -1.33 0.00 0.00 177.20 175.25 1q7i s ASP 55 N -2.35 7.30 0.33 -1.12 -1.08 -1.25 -4.99 116.67 113.51 1q7i s ASP 55 Ca 0.67 1.67 0.10 0.00 -0.52 0.00 0.00 52.55 54.47 1q7i s ASP 55 Cb -0.24 -2.57 -0.06 0.00 -1.46 0.00 0.00 42.92 38.60 1q7i s ASP 55 CO 0.65 -0.34 -0.11 -0.60 0.52 0.00 0.00 175.17 175.29 1q7i s ARG 56 N 1.32 1.82 0.30 4.34 3.52 -1.25 -1.89 118.95 127.11 1q7i s ARG 56 Ca 0.52 -1.87 0.09 0.00 -0.13 0.00 0.00 55.73 54.34 1q7i s ARG 56 Cb -0.21 -1.75 -0.04 0.00 -1.56 0.00 0.00 34.95 31.38 1q7i s ARG 56 CO 0.25 0.19 0.06 0.00 -0.81 0.00 0.00 175.30 174.99 1q7i n THR 58 N -1.01 0.00 0.78 0.00 -2.24 -1.26 -1.55 114.28 109.00 1q7i n THR 58 Ca -0.05 0.00 0.11 0.00 -2.27 0.00 0.00 64.05 61.84 1q7i n THR 58 Cb 0.60 -1.49 0.04 0.00 -2.10 0.00 0.00 70.33 67.38 1q7i n THR 58 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1q7i n GLY 59 N 5.00 -1.16 1.06 3.38 0.00 -1.26 0.31 105.19 112.51 1q7i n GLY 59 Ca 0.00 -0.44 0.04 0.00 0.00 0.00 0.00 46.02 45.61 1q7i n GLY 59 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 1q7i n GLN 60 N -1.73 0.27 -3.92 1.61 6.02 -1.26 -4.71 117.38 113.65 1q7i n GLN 60 Ca 0.03 -1.94 -0.27 0.00 -0.01 0.00 0.00 57.00 54.81 1q7i n GLN 60 Cb 0.39 -0.41 -0.17 0.00 1.02 0.00 0.00 30.24 31.07 1q7i n GLN 60 CO 0.00 0.00 0.00 0.45 -1.01 0.00 0.00 177.06 176.50 1q7i s SER 61 N -1.94 2.27 0.05 1.08 0.15 -1.26 -4.98 113.70 109.06 1q7i s SER 61 Ca 0.26 -0.33 0.20 0.00 0.70 0.00 0.00 55.95 56.77 1q7i s SER 61 Cb 0.28 -0.90 -0.16 0.00 -1.71 0.00 0.00 66.02 63.53 1q7i s SER 61 CO -0.10 -0.11 0.72 0.00 1.20 0.00 0.00 173.24 174.94 1q7i n ALA 62 N 4.92 2.29 -1.90 5.45 0.00 -1.26 -4.12 120.51 125.89 1q7i n ALA 62 Ca -0.13 -0.53 -0.29 0.00 0.00 0.00 0.00 53.44 52.49 1q7i n ALA 62 Cb 0.50 -0.86 0.08 0.00 0.00 0.00 0.00 19.45 19.16 1q7i n ALA 62 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 1q7i s ASP 63 N -5.29 4.75 -0.05 0.00 1.01 -1.26 -0.14 116.67 115.69 1q7i s ASP 63 Ca -0.04 0.82 -0.01 0.00 0.71 0.00 0.00 52.55 54.03 1q7i s ASP 63 Cb 0.10 -1.40 0.03 0.00 1.01 0.00 0.00 42.92 42.66 1q7i s ASP 63 CO 0.83 -1.74 0.00 0.00 0.21 0.00 0.00 175.17 174.48 1q7i n PRO 65 N 4.81 1.04 -3.74 0.00 -0.04 -1.26 -5.06 135.00 130.75 1q7i n PRO 65 Ca -0.13 0.00 -0.12 0.00 -0.04 0.00 0.00 63.50 63.21 1q7i n PRO 65 Cb 0.50 0.00 -0.11 0.00 -0.04 0.00 0.00 33.50 33.85 1q7i n PRO 65 CO 0.00 0.00 0.00 1.03 -0.04 0.00 0.00 175.50 176.49 1q7i s ARG 66 N 0.00 0.38 -0.01 0.54 0.52 -1.26 -5.03 118.95 114.09 1q7i s ARG 66 Ca 0.00 0.54 0.00 0.00 -0.52 0.00 0.00 55.73 55.75 1q7i s ARG 66 Cb 0.00 0.13 0.01 0.00 0.52 0.00 0.00 34.95 35.60 1q7i s ARG 66 CO 0.00 -0.08 0.76 2.48 0.02 0.00 0.00 175.30 178.48 1q7i n TYR 67 N 3.27 -0.04 0.36 -0.53 4.11 -1.26 -5.26 117.16 117.81 1q7i n TYR 67 Ca -0.16 -0.39 0.04 0.00 -0.00 0.00 0.00 57.90 57.39 1q7i n TYR 67 Cb 0.57 0.46 0.04 0.00 -0.00 0.00 0.00 39.34 40.40 1q7i n TYR 67 CO 0.00 0.00 0.00 0.72 -0.00 0.00 0.00 176.86 177.58