#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1q7i s LYS 2 N 0.00 4.36 -0.25 1.61 2.20 -1.26 -4.85 119.74 121.55 1q7i s LYS 2 Ca 0.00 1.67 0.07 0.00 -0.36 0.00 0.00 55.97 57.35 1q7i s LYS 2 Cb 0.00 -3.55 0.24 0.00 -1.51 0.00 0.00 37.83 33.01 1q7i s LYS 2 CO 0.00 -0.43 1.15 0.39 -0.36 0.00 0.00 175.35 176.10 1q7i n GLU 3 N 5.12 0.78 -3.06 4.03 -0.58 -1.26 -5.04 120.64 120.63 1q7i n GLU 3 Ca 0.11 -0.89 -0.19 0.00 -0.42 0.00 0.00 57.16 55.77 1q7i n GLU 3 Cb 0.46 0.17 -0.03 0.00 -0.57 0.00 0.00 31.44 31.47 1q7i n GLU 3 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 1q7i h ASP 5 N 3.88 0.00 -5.23 0.00 1.82 -1.79 -3.41 116.42 111.69 1q7i h ASP 5 Ca 0.01 0.00 -0.12 0.00 -0.39 0.00 0.00 57.03 56.53 1q7i h ASP 5 Cb 0.93 0.00 -0.15 0.00 0.68 0.00 0.00 39.33 40.80 1q7i h ASP 5 CO 0.42 0.00 -0.64 0.00 -1.61 0.00 0.00 179.24 177.41 1q7i n SER 7 N 0.09 1.59 -3.88 0.00 3.41 -1.26 -4.40 113.62 109.16 1q7i n SER 7 Ca -0.14 -2.76 -0.22 0.00 -0.26 0.00 0.00 58.87 55.49 1q7i n SER 7 Cb 0.61 -0.40 -0.17 0.00 -0.26 0.00 0.00 64.21 64.00 1q7i n SER 7 CO 0.00 0.00 0.00 -0.44 -0.16 0.00 0.00 175.04 174.44 1q7i s SER 8 N -2.73 1.27 0.00 4.04 0.01 -1.26 -5.00 113.70 110.03 1q7i s SER 8 Ca 0.36 -0.15 0.10 0.00 1.31 0.00 0.00 55.95 57.56 1q7i s SER 8 Cb 0.38 -0.52 0.55 0.00 0.21 0.00 0.00 66.02 66.64 1q7i s SER 8 CO -0.11 -0.08 1.36 -0.81 0.41 0.00 0.00 173.24 174.02 1q7i n PRO 9 N 4.33 1.05 -0.00 12.44 -0.04 -1.26 -3.24 135.00 148.28 1q7i n PRO 9 Ca -0.20 -0.08 0.04 0.00 -0.04 0.00 0.00 63.50 63.22 1q7i n PRO 9 Cb 0.51 -1.16 -0.06 0.00 -0.04 0.00 0.00 33.50 32.75 1q7i n PRO 9 CO 0.00 0.00 0.00 0.39 -0.04 0.00 0.00 175.50 175.85 1q7i n GLU 10 N -0.57 1.73 -2.12 0.54 1.02 -1.26 -4.94 120.64 115.03 1q7i n GLU 10 Ca 0.07 -0.05 -0.39 0.00 -0.02 0.00 0.00 57.16 56.78 1q7i n GLU 10 Cb 0.05 -1.10 -0.01 0.00 -0.02 0.00 0.00 31.44 30.37 1q7i n GLU 10 CO 0.00 0.00 0.00 1.21 1.18 0.00 0.00 177.13 179.52 1q7i s ASN 11 N -2.57 6.27 -0.00 1.62 3.84 -1.20 -4.95 114.94 117.96 1q7i s ASN 11 Ca -0.01 2.54 -0.18 0.00 0.21 0.00 0.00 52.86 55.43 1q7i s ASN 11 Cb 0.06 -2.63 -0.34 0.00 -0.55 0.00 0.00 41.25 37.79 1q7i s ASN 11 CO 0.36 -0.86 0.94 1.55 -2.79 0.00 0.00 177.10 176.30 1q7i h PRO 12 N 2.51 0.45 -1.01 0.43 0.13 -1.94 -3.27 132.00 129.30 1q7i h PRO 12 Ca -0.49 -0.77 -0.20 0.00 -0.87 0.00 0.00 66.00 63.66 1q7i h PRO 12 Cb 1.25 0.29 -0.12 0.00 0.13 0.00 0.00 31.00 32.54 1q7i h PRO 12 CO 0.62 1.37 0.26 0.00 -0.23 0.00 0.00 178.00 180.02 1q7i s ASP 15 N -2.99 1.27 0.00 0.00 -1.08 0.19 -3.88 116.67 110.18 1q7i s ASP 15 Ca 0.17 -0.09 0.26 0.00 -0.52 0.00 0.00 52.55 52.37 1q7i s ASP 15 Cb 0.07 -0.42 0.76 0.00 -1.46 0.00 0.00 42.92 41.87 1q7i s ASP 15 CO -0.03 -0.14 1.57 0.00 0.52 0.00 0.00 175.17 177.09 1q7i n ALA 16 N 4.72 3.05 0.87 3.66 0.00 -1.26 -1.73 120.51 129.81 1q7i n ALA 16 Ca -0.14 -0.41 0.10 0.00 0.00 0.00 0.00 53.44 52.99 1q7i n ALA 16 Cb 0.50 -1.13 -0.12 0.00 0.00 0.00 0.00 19.45 18.70 1q7i n ALA 16 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1q7i n ALA 17 N -0.58 4.51 -0.67 0.00 0.00 -1.26 -4.38 120.51 118.12 1q7i n ALA 17 Ca 0.13 -0.58 0.00 0.00 0.00 0.00 0.00 53.44 52.98 1q7i n ALA 17 Cb 0.35 -0.76 0.00 0.00 0.00 0.00 0.00 19.45 19.04 1q7i n ALA 17 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 177.50 179.91 1q7i n THR 18 N -1.58 0.14 -3.41 0.00 -1.04 -1.25 -5.06 114.28 102.08 1q7i n THR 18 Ca 0.03 -0.23 -0.27 0.00 -2.04 0.00 0.00 64.05 61.53 1q7i n THR 18 Cb 0.35 1.32 0.02 0.00 -1.82 0.00 0.00 70.33 70.21 1q7i n THR 18 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1q7i n LYS 20 N -0.84 -0.68 -2.73 0.00 4.76 -1.17 -2.82 118.16 114.68 1q7i n LYS 20 Ca -0.09 0.00 -0.41 0.00 -2.87 0.00 0.00 58.31 54.94 1q7i n LYS 20 Cb 0.63 0.00 -0.04 0.00 -1.84 0.00 0.00 35.03 33.78 1q7i n LYS 20 CO 0.00 0.00 0.00 -0.51 -1.37 0.00 0.00 177.40 175.52 1q7i s LEU 21 N 0.00 4.47 -0.04 -0.35 1.43 -1.26 -0.64 118.68 122.29 1q7i s LEU 21 Ca 0.00 1.76 -0.22 0.00 -1.03 0.00 0.00 54.13 54.64 1q7i s LEU 21 Cb 0.00 -3.58 -0.16 0.00 0.03 0.00 0.00 46.19 42.49 1q7i s LEU 21 CO 0.00 -0.11 0.96 -0.09 0.23 0.00 0.00 176.35 177.33 1q7i h ARG 22 N 5.88 -0.26 0.00 1.70 2.43 -1.65 -3.43 114.38 119.05 1q7i h ARG 22 Ca -0.42 0.02 0.00 0.00 -0.81 0.00 0.00 59.98 58.76 1q7i h ARG 22 Cb 1.21 0.06 0.00 0.00 -0.42 0.00 0.00 29.97 30.82 1q7i h ARG 22 CO 0.73 0.14 0.00 -0.35 -1.51 0.00 0.00 179.97 178.98 1q7i n PRO 23 N -4.98 1.06 -0.66 0.20 -0.04 -1.26 -4.97 135.00 124.35 1q7i n PRO 23 Ca -0.08 0.00 0.08 0.00 -0.04 0.00 0.00 63.50 63.46 1q7i n PRO 23 Cb 0.26 0.00 0.33 0.00 -0.04 0.00 0.00 33.50 34.06 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 3.39 0.18 0.55 0.00 -1.26 -4.99 105.19 108.05 1q7i n GLY 24 Ca 0.00 -0.95 -0.02 0.00 0.00 0.00 0.00 46.02 45.06 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 0.21 -0.28 0.41 4.61 0.00 -1.26 -4.94 120.51 119.26 1q7i n ALA 25 Ca 0.24 -0.08 0.05 0.00 0.00 0.00 0.00 53.44 53.65 1q7i n ALA 25 Cb 1.02 -0.01 0.05 0.00 0.00 0.00 0.00 19.45 20.51 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 -2.11 0.50 0.00 0.00 3.00 -1.23 -4.99 117.38 112.56 1q7i n GLN 26 Ca 0.01 -1.14 0.00 0.00 -0.01 0.00 0.00 57.00 55.86 1q7i n GLN 26 Cb 0.03 -1.20 0.00 0.00 0.00 0.00 0.00 30.24 29.07 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 -0.02 0.52 0.00 0.00 0.00 -1.26 -4.06 105.19 100.38 1q7i n GLY 28 Ca 0.00 -0.59 0.00 0.00 0.00 0.00 0.00 46.02 45.43 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 0.91 0.00 -3.55 1.61 -0.00 -1.26 -4.85 120.64 113.50 1q7i n GLU 29 Ca 0.11 0.00 -0.07 0.00 -0.00 0.00 0.00 57.16 57.20 1q7i n GLU 29 Cb 0.49 0.00 -0.02 0.00 -0.00 0.00 0.00 31.44 31.92 1q7i n GLU 29 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.13 177.33 1q7i s GLY 30 N 0.00 -0.41 0.37 -1.84 0.00 -1.26 -4.81 107.32 99.36 1q7i s GLY 30 Ca 0.00 1.01 0.25 0.00 0.00 0.00 0.00 44.72 45.99 1q7i s GLY 30 CO 0.00 0.33 1.77 -2.00 0.00 0.00 0.00 173.10 173.20 1q7i h LEU 31 N 2.00 0.00 -2.28 0.66 7.12 0.13 -2.42 115.31 120.52 1q7i h LEU 31 Ca -0.20 0.00 -0.05 0.00 0.13 0.00 0.00 57.88 57.76 1q7i h LEU 31 Cb 1.23 0.00 -0.11 0.00 -0.53 0.00 0.00 40.66 41.25 1q7i h LEU 31 CO 0.29 0.00 -0.65 0.00 -0.13 0.00 0.00 178.44 177.95 1q7i n GLU 34 N 9.29 -2.11 -1.56 0.00 2.13 0.68 -4.62 120.64 124.45 1q7i n GLU 34 Ca 0.04 -0.15 -0.13 0.00 0.66 0.00 0.00 57.16 57.58 1q7i n GLU 34 Cb 0.49 -0.18 -0.08 0.00 0.27 0.00 0.00 31.44 31.94 1q7i n GLU 34 CO 0.00 0.00 0.00 1.04 -0.41 0.00 0.00 177.13 177.76 1q7i n GLN 35 N -2.29 0.47 -3.67 5.31 1.13 -1.26 -2.81 117.38 114.26 1q7i n GLN 35 Ca 0.01 -0.98 -0.24 0.00 -1.94 0.00 0.00 57.00 53.85 1q7i n GLN 35 Cb 0.06 -3.70 0.06 0.00 0.11 0.00 0.00 30.24 26.77 1q7i n GLN 35 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 1q7i s LYS 37 N -6.21 0.77 0.06 0.00 2.20 -1.12 -3.52 119.74 111.91 1q7i s LYS 37 Ca 0.45 1.03 -0.30 0.00 -0.36 0.00 0.00 55.97 56.78 1q7i s LYS 37 Cb -0.21 0.32 -0.09 0.00 -1.51 0.00 0.00 37.83 36.35 1q7i s LYS 37 CO 0.77 -0.11 1.85 -0.06 -0.36 0.00 0.00 175.35 177.43 1q7i s PHE 38 N 0.72 1.77 1.04 4.03 0.08 -1.26 -0.23 117.98 124.13 1q7i s PHE 38 Ca -0.03 -0.15 -0.16 0.00 0.12 0.00 0.00 56.93 56.71 1q7i s PHE 38 Cb -0.05 -4.15 0.06 0.00 -0.57 0.00 0.00 43.02 38.31 1q7i s PHE 38 CO -0.05 -4.93 0.09 0.45 -0.10 0.00 0.00 175.22 170.68 1q7i n SER 39 N 6.68 -2.40 -4.74 1.36 2.88 -0.38 -4.77 113.62 112.25 1q7i n SER 39 Ca 0.18 0.07 -0.40 0.00 -1.33 0.00 0.00 58.87 57.40 1q7i n SER 39 Cb 0.40 -1.04 -0.05 0.00 -0.75 0.00 0.00 64.21 62.78 1q7i n SER 39 CO 0.00 0.00 0.00 -0.13 -1.23 0.00 0.00 175.04 173.68 1q7i s ARG 40 N -3.43 4.49 0.63 -1.46 1.81 -1.26 -4.47 118.95 115.26 1q7i s ARG 40 Ca 0.55 1.05 -0.14 0.00 -1.72 0.00 0.00 55.73 55.47 1q7i s ARG 40 Cb -0.15 -3.38 -0.12 0.00 -0.45 0.00 0.00 34.95 30.84 1q7i s ARG 40 CO 0.67 0.23 -0.40 0.00 -0.68 0.00 0.00 175.30 175.13 1q7i n ALA 41 N 3.02 -3.94 -0.64 2.13 0.00 -1.14 -3.28 120.51 116.66 1q7i n ALA 41 Ca -0.02 -0.31 0.00 0.00 0.00 0.00 0.00 53.44 53.11 1q7i n ALA 41 Cb 0.50 -1.05 0.00 0.00 0.00 0.00 0.00 19.45 18.90 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 2.50 0.61 3.66 0.00 0.00 -0.00 -4.91 105.19 107.04 1q7i n GLY 42 Ca 0.02 -0.69 -0.43 0.00 0.00 0.00 0.00 46.02 44.92 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 -1.27 4.28 -0.95 1.61 2.36 -1.21 -4.71 119.74 119.85 1q7i s LYS 43 Ca 0.00 1.33 -0.24 0.00 -2.55 0.00 0.00 55.97 54.51 1q7i s LYS 43 Cb 0.00 -3.63 0.01 0.00 -1.05 0.00 0.00 37.83 33.17 1q7i s LYS 43 CO 0.00 -0.58 1.63 -1.50 1.55 0.00 0.00 175.35 176.45 1q7i s ILE 44 N 3.00 3.73 -2.00 5.43 1.10 -1.24 -0.51 121.20 130.70 1q7i s ILE 44 Ca 0.44 -0.54 0.13 0.00 -0.51 0.00 0.00 60.65 60.16 1q7i s ILE 44 Cb -0.15 -4.65 0.36 0.00 0.15 0.00 0.00 42.46 38.17 1q7i s ILE 44 CO 0.08 -1.55 1.41 0.00 -2.11 0.00 0.00 174.94 172.77 1q7i n ARG 46 N -0.72 0.00 -3.04 0.00 0.63 -1.26 -5.00 116.66 107.28 1q7i n ARG 46 Ca 0.09 0.00 -0.41 0.00 -0.92 0.00 0.00 57.85 56.62 1q7i n ARG 46 Cb 0.04 0.00 -0.05 0.00 0.45 0.00 0.00 32.46 32.90 1q7i n ARG 46 CO 0.00 0.00 0.00 -1.50 -2.51 0.00 0.00 177.63 173.62 1q7i s ILE 47 N -0.31 4.95 1.01 5.15 1.10 -1.26 -3.65 121.20 128.18 1q7i s ILE 47 Ca 0.00 1.30 -0.19 0.00 -0.51 0.00 0.00 60.65 61.25 1q7i s ILE 47 Cb 0.00 -4.00 0.02 0.00 0.15 0.00 0.00 42.46 38.63 1q7i s ILE 47 CO 0.00 0.03 -0.42 0.00 -2.11 0.00 0.00 174.94 172.44 1q7i n ALA 48 N 5.53 -3.19 -0.10 1.50 0.00 -1.26 -4.96 120.51 118.03 1q7i n ALA 48 Ca 0.01 -1.17 -0.15 0.00 0.00 0.00 0.00 53.44 52.13 1q7i n ALA 48 Cb 0.49 -1.02 -0.05 0.00 0.00 0.00 0.00 19.45 18.87 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 -0.26 0.52 0.00 0.00 5.12 -1.26 -5.00 116.66 115.79 1q7i n ARG 49 Ca 0.01 0.22 0.00 0.00 -1.93 0.00 0.00 57.85 56.14 1q7i n ARG 49 Cb 0.56 -1.40 0.00 0.00 -1.16 0.00 0.00 32.46 30.45 1q7i n ARG 49 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 1q7i n GLY 50 N 1.49 0.71 2.94 -0.13 0.00 -1.26 -5.04 105.19 103.90 1q7i n GLY 50 Ca -0.26 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.47 1q7i n GLY 50 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1q7i s ASP 51 N -1.00 3.06 0.00 1.61 -1.08 -1.26 -5.09 116.67 112.91 1q7i s ASP 51 Ca 0.00 -0.75 0.00 0.00 -0.52 0.00 0.00 52.55 51.28 1q7i s ASP 51 Cb 0.00 -1.05 0.00 0.00 -1.46 0.00 0.00 42.92 40.41 1q7i s ASP 51 CO 0.00 -0.17 0.00 -2.67 0.52 0.00 0.00 175.17 172.85 1q7i n TRP 52 N 4.79 -0.01 -1.09 -5.34 2.14 -1.26 -5.16 117.44 111.51 1q7i n TRP 52 Ca -0.13 0.00 -0.30 0.00 2.07 0.00 0.00 57.50 59.14 1q7i n TRP 52 Cb 0.47 0.00 0.23 0.00 -0.81 0.00 0.00 31.31 31.20 1q7i n TRP 52 CO 0.00 0.00 0.00 1.21 2.07 0.00 0.00 177.69 180.97 1q7i s ASN 53 N -0.32 1.28 0.30 -0.67 2.47 -1.26 -4.95 114.94 111.78 1q7i s ASN 53 Ca 0.00 0.76 0.11 0.00 0.42 0.00 0.00 52.86 54.15 1q7i s ASN 53 Cb 0.00 -1.10 -0.06 0.00 -1.45 0.00 0.00 41.25 38.64 1q7i s ASN 53 CO 0.00 -3.92 -0.16 -1.81 -3.72 0.00 0.00 177.10 167.49 1q7i s ASP 54 N -3.78 3.60 -0.15 -4.21 1.11 -1.26 -4.59 116.67 107.38 1q7i s ASP 54 Ca 0.70 -1.09 -0.26 0.00 0.18 0.00 0.00 52.55 52.07 1q7i s ASP 54 Cb -0.12 -0.31 -0.01 0.00 1.07 0.00 0.00 42.92 43.55 1q7i s ASP 54 CO 0.56 -0.06 0.88 -1.81 1.18 0.00 0.00 175.17 175.92 1q7i s ASP 55 N -3.54 7.03 -0.10 0.27 1.01 -1.24 -5.03 116.67 115.08 1q7i s ASP 55 Ca 0.31 1.27 0.03 0.00 0.71 0.00 0.00 52.55 54.86 1q7i s ASP 55 Cb -0.02 -2.48 -0.01 0.00 1.01 0.00 0.00 42.92 41.42 1q7i s ASP 55 CO 0.15 -0.41 -0.18 -0.13 0.21 0.00 0.00 175.17 174.81 1q7i s ARG 56 N 2.11 3.00 0.54 8.23 1.81 -1.23 -1.53 118.95 131.89 1q7i s ARG 56 Ca 0.41 -0.77 -0.16 0.00 -1.72 0.00 0.00 55.73 53.49 1q7i s ARG 56 Cb -0.17 -2.43 -0.07 0.00 -0.45 0.00 0.00 34.95 31.83 1q7i s ARG 56 CO 0.14 0.31 1.00 0.00 -0.68 0.00 0.00 175.30 176.07 1q7i n THR 58 N -1.78 0.00 -0.13 0.00 -2.24 -1.26 -0.82 114.28 108.04 1q7i n THR 58 Ca 0.07 -0.27 0.04 0.00 -2.27 0.00 0.00 64.05 61.62 1q7i n THR 58 Cb 0.54 -1.83 0.24 0.00 -2.10 0.00 0.00 70.33 67.18 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 2.45 2.38 0.45 3.38 0.00 -1.26 -2.90 105.19 109.70 1q7i n GLY 59 Ca 0.05 -0.56 0.00 0.00 0.00 0.00 0.00 46.02 45.51 1q7i n GLY 59 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1q7i n GLN 60 N 0.38 0.00 -4.43 1.61 10.64 -1.26 -4.80 117.38 119.52 1q7i n GLN 60 Ca 0.17 -0.11 -0.23 0.00 -1.83 0.00 0.00 57.00 55.00 1q7i n GLN 60 Cb 0.82 -0.06 -0.10 0.00 -0.86 0.00 0.00 30.24 30.04 1q7i n GLN 60 CO 0.00 0.00 0.00 -1.12 -1.83 0.00 0.00 177.06 174.11 1q7i s SER 61 N -0.11 3.27 -0.01 2.61 0.01 -1.25 -5.04 113.70 113.17 1q7i s SER 61 Ca 0.00 -1.00 0.00 0.00 1.31 0.00 0.00 55.95 56.26 1q7i s SER 61 Cb 0.00 -0.25 -0.01 0.00 0.21 0.00 0.00 66.02 65.98 1q7i s SER 61 CO 0.00 -0.01 -0.01 0.00 0.41 0.00 0.00 173.24 173.63 1q7i n ALA 62 N -0.43 1.98 -1.53 1.44 0.00 -1.26 -4.38 120.51 116.33 1q7i n ALA 62 Ca -0.07 -0.04 -0.19 0.00 0.00 0.00 0.00 53.44 53.14 1q7i n ALA 62 Cb 0.60 0.46 0.20 0.00 0.00 0.00 0.00 19.45 20.70 1q7i n ALA 62 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 1q7i n ASP 63 N -2.48 -0.73 -3.74 0.00 8.00 -1.26 0.16 116.55 116.50 1q7i n ASP 63 Ca -0.02 -1.31 -0.15 0.00 0.71 0.00 0.00 54.79 54.03 1q7i n ASP 63 Cb 0.52 -0.92 -0.16 0.00 -0.02 0.00 0.00 41.12 40.55 1q7i n ASP 63 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1q7i n PRO 65 N 4.45 1.39 -3.57 0.00 -0.04 -1.26 -5.08 135.00 130.89 1q7i n PRO 65 Ca -0.22 0.00 -0.17 0.00 -0.04 0.00 0.00 63.50 63.07 1q7i n PRO 65 Cb 0.51 0.00 -0.07 0.00 -0.04 0.00 0.00 33.50 33.90 1q7i n PRO 65 CO 0.00 0.00 0.00 -0.98 -0.04 0.00 0.00 175.50 174.48 1q7i s ARG 66 N 0.00 0.96 -0.38 0.54 1.04 -1.26 -5.02 118.95 114.83 1q7i s ARG 66 Ca 0.00 0.41 -0.03 0.00 -1.04 0.00 0.00 55.73 55.07 1q7i s ARG 66 Cb 0.00 0.45 0.22 0.00 -2.04 0.00 0.00 34.95 33.58 1q7i s ARG 66 CO 0.00 -0.26 1.05 0.98 -0.04 0.00 0.00 175.30 177.03 1q7i n TYR 67 N 1.43 -1.36 1.32 5.89 9.36 -1.26 -5.20 117.16 127.34 1q7i n TYR 67 Ca -0.18 -0.84 0.13 0.00 3.32 0.00 0.00 57.90 60.33 1q7i n TYR 67 Cb 0.56 1.18 0.37 0.00 -0.63 0.00 0.00 39.34 40.83 1q7i n TYR 67 CO 0.00 0.00 0.00 -2.39 0.22 0.00 0.00 176.86 174.69