#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 0.25 -0.44 1.61 1.02 -1.26 -5.04 119.74 115.88 1q7i s LYS 2 Ca 0.00 0.75 0.05 0.00 0.02 0.00 0.00 55.97 56.79 1q7i s LYS 2 Cb 0.00 -0.11 0.42 0.00 -0.52 0.00 0.00 37.83 37.63 1q7i s LYS 2 CO 0.00 -0.38 1.18 -0.85 -0.92 0.00 0.00 175.35 174.38 1q7i n GLU 3 N 5.36 3.42 -2.02 1.68 0.28 -1.26 -4.91 120.64 123.20 1q7i n GLU 3 Ca -0.06 -4.39 -0.41 0.00 -0.16 0.00 0.00 57.16 52.14 1q7i n GLU 3 Cb 0.50 -2.26 -0.00 0.00 1.43 0.00 0.00 31.44 31.11 1q7i n GLU 3 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 177.13 176.97 1q7i n ASP 5 N 3.29 0.20 -4.56 0.00 -0.08 0.33 -4.35 116.55 111.39 1q7i n ASP 5 Ca 0.54 0.97 -0.28 0.00 -1.51 0.00 0.00 54.79 54.51 1q7i n ASP 5 Cb 0.31 -0.47 -0.09 0.00 2.34 0.00 0.00 41.12 43.20 1q7i n ASP 5 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 1q7i n SER 7 N -1.08 1.88 -4.70 0.00 3.41 -1.26 -4.95 113.62 106.92 1q7i n SER 7 Ca -0.10 -0.31 -0.38 0.00 -0.26 0.00 0.00 58.87 57.83 1q7i n SER 7 Cb 0.67 1.22 -0.07 0.00 -0.26 0.00 0.00 64.21 65.76 1q7i n SER 7 CO 0.00 0.00 0.00 -0.55 -0.16 0.00 0.00 175.04 174.33 1q7i s SER 8 N -2.45 6.50 0.00 4.04 0.15 -1.26 -4.94 113.70 115.74 1q7i s SER 8 Ca -0.00 0.59 0.13 0.00 0.70 0.00 0.00 55.95 57.37 1q7i s SER 8 Cb 0.06 -2.24 0.79 0.00 -1.71 0.00 0.00 66.02 62.93 1q7i s SER 8 CO 0.35 -0.02 1.47 -0.81 1.20 0.00 0.00 173.24 175.43 1q7i n PRO 9 N 4.08 0.95 0.00 5.44 -0.04 -1.26 -2.91 135.00 141.26 1q7i n PRO 9 Ca -0.09 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.37 1q7i n PRO 9 Cb 0.51 -1.22 0.00 0.00 -0.04 0.00 0.00 33.50 32.75 1q7i n PRO 9 CO 0.00 0.00 0.00 -1.91 -0.04 0.00 0.00 175.50 173.55 1q7i n GLU 10 N -0.72 -0.36 -2.27 0.54 2.13 -1.26 -4.75 120.64 113.95 1q7i n GLU 10 Ca 0.10 -0.56 -0.41 0.00 0.66 0.00 0.00 57.16 56.96 1q7i n GLU 10 Cb 0.05 -0.93 -0.03 0.00 0.27 0.00 0.00 31.44 30.80 1q7i n GLU 10 CO 0.00 0.00 0.00 1.21 -0.41 0.00 0.00 177.13 177.93 1q7i s ASN 11 N -0.12 6.98 0.38 4.31 2.47 -1.15 -4.92 114.94 122.89 1q7i s ASN 11 Ca 0.00 2.49 0.24 0.00 0.42 0.00 0.00 52.86 56.01 1q7i s ASN 11 Cb 0.00 -2.64 0.43 0.00 -1.45 0.00 0.00 41.25 37.59 1q7i s ASN 11 CO 0.00 -0.38 1.62 1.55 -3.72 0.00 0.00 177.10 176.17 1q7i h PRO 12 N 3.77 0.00 0.00 0.43 0.13 -1.93 -3.25 132.00 131.15 1q7i h PRO 12 Ca -0.48 0.00 -0.07 0.00 -0.87 0.00 0.00 66.00 64.58 1q7i h PRO 12 Cb 1.22 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.34 1q7i h PRO 12 CO 0.67 0.00 -0.35 0.00 -0.23 0.00 0.00 178.00 178.09 1q7i s ASP 15 N -1.37 0.90 0.11 0.00 2.15 0.37 -3.81 116.67 115.02 1q7i s ASP 15 Ca 0.01 -0.14 0.03 0.00 0.43 0.00 0.00 52.55 52.89 1q7i s ASP 15 Cb -0.00 -0.19 -0.20 0.00 -0.30 0.00 0.00 42.92 42.22 1q7i s ASP 15 CO 0.01 0.06 1.25 0.00 -0.17 0.00 0.00 175.17 176.32 1q7i h ALA 16 N 6.26 0.29 -0.63 3.66 0.00 -1.87 1.98 119.26 128.95 1q7i h ALA 16 Ca -0.32 -0.88 -0.02 0.00 0.00 0.00 0.00 54.91 53.70 1q7i h ALA 16 Cb 1.18 -0.10 -0.03 0.00 0.00 0.00 0.00 17.79 18.84 1q7i h ALA 16 CO 0.49 1.12 0.31 0.00 0.00 0.00 0.00 179.25 181.18 1q7i h ALA 17 N 0.87 1.37 0.00 0.00 0.00 -1.95 -3.13 119.26 116.41 1q7i h ALA 17 Ca -0.05 -0.12 0.00 0.00 0.00 0.00 0.00 54.91 54.74 1q7i h ALA 17 Cb 1.80 -0.26 0.00 0.00 0.00 0.00 0.00 17.79 19.33 1q7i h ALA 17 CO 0.15 0.50 -0.01 -2.37 0.00 0.00 0.00 179.25 177.53 1q7i n THR 18 N -4.36 0.78 -3.44 0.00 5.66 -1.23 -4.99 114.28 106.71 1q7i n THR 18 Ca 0.06 -0.79 -0.24 0.00 -3.05 0.00 0.00 64.05 60.03 1q7i n THR 18 Cb 0.12 0.59 -0.01 0.00 -1.55 0.00 0.00 70.33 69.48 1q7i n THR 18 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 1q7i s LYS 20 N -6.08 1.03 -0.43 0.00 -0.14 -0.82 0.12 119.74 113.42 1q7i s LYS 20 Ca 0.42 -1.39 -0.45 0.00 -1.36 0.00 0.00 55.97 53.19 1q7i s LYS 20 Cb -0.23 0.29 -0.19 0.00 -1.68 0.00 0.00 37.83 36.02 1q7i s LYS 20 CO 0.52 -0.32 1.61 1.28 -0.76 0.00 0.00 175.35 177.68 1q7i n LEU 21 N -0.15 1.43 -0.10 3.17 4.77 -1.26 0.14 117.00 125.00 1q7i n LEU 21 Ca -0.05 1.16 -0.21 0.00 -0.03 0.00 0.00 56.01 56.88 1q7i n LEU 21 Cb 0.64 -0.94 -0.12 0.00 -2.33 0.00 0.00 43.42 40.67 1q7i n LEU 21 CO 0.29 -0.79 -0.47 -0.09 -1.33 0.00 0.00 177.39 175.00 1q7i h ARG 22 N 5.41 0.01 0.00 3.23 2.43 -1.46 -3.43 114.38 120.57 1q7i h ARG 22 Ca -0.45 -0.01 -0.24 0.00 -0.81 0.00 0.00 59.98 58.47 1q7i h ARG 22 Cb 1.36 0.01 0.10 0.00 -0.42 0.00 0.00 29.97 31.01 1q7i h ARG 22 CO 0.96 1.01 0.23 -0.35 -1.51 0.00 0.00 179.97 180.31 1q7i n PRO 23 N -4.42 -0.71 -0.27 0.20 -0.04 -1.26 -4.93 135.00 123.57 1q7i n PRO 23 Ca -0.31 -1.16 0.02 0.00 -0.04 0.00 0.00 63.50 62.01 1q7i n PRO 23 Cb 0.68 -0.76 0.13 0.00 -0.04 0.00 0.00 33.50 33.51 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 0.14 1.82 0.00 0.55 0.00 -1.26 -4.88 105.19 101.56 1q7i n GLY 24 Ca 0.09 -0.29 0.00 0.00 0.00 0.00 0.00 46.02 45.83 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 0.20 0.00 -0.79 4.61 0.00 -1.26 -4.97 120.51 118.29 1q7i n ALA 25 Ca 0.09 0.00 0.01 0.00 0.00 0.00 0.00 53.44 53.54 1q7i n ALA 25 Cb 0.52 0.00 0.02 0.00 0.00 0.00 0.00 19.45 19.99 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 -0.74 1.17 0.00 0.00 3.00 -1.09 -4.92 117.38 114.80 1q7i n GLN 26 Ca 0.00 -1.13 0.00 0.00 -0.01 0.00 0.00 57.00 55.86 1q7i n GLN 26 Cb 0.00 -0.78 0.00 0.00 0.00 0.00 0.00 30.24 29.46 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 -0.01 -0.83 3.65 0.00 0.00 -1.26 -4.49 105.19 102.24 1q7i n GLY 28 Ca 0.00 -0.31 -0.03 0.00 0.00 0.00 0.00 46.02 45.68 1q7i n GLY 28 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 1q7i s GLU 29 N -2.57 0.04 0.00 1.61 -1.05 -1.26 -4.74 118.70 110.72 1q7i s GLU 29 Ca -0.08 0.05 0.00 0.00 -0.15 0.00 0.00 54.97 54.79 1q7i s GLU 29 Cb 0.06 0.02 0.00 0.00 -0.44 0.00 0.00 34.13 33.77 1q7i s GLU 29 CO 0.70 -0.01 0.00 0.41 0.95 0.00 0.00 175.26 177.31 1q7i n GLY 30 N 1.52 -0.57 0.04 -3.83 0.00 -1.25 -4.27 105.19 96.83 1q7i n GLY 30 Ca -0.10 -0.59 -0.01 0.00 0.00 0.00 0.00 46.02 45.32 1q7i n GLY 30 CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22 1q7i n LEU 31 N 0.00 0.00 -2.94 0.99 0.00 0.18 -4.58 117.00 110.64 1q7i n LEU 31 Ca 0.00 0.00 -0.32 0.00 0.00 0.00 0.00 56.01 55.69 1q7i n LEU 31 Cb 0.00 0.17 -0.00 0.00 0.00 0.00 0.00 43.42 43.59 1q7i n LEU 31 CO 0.00 0.17 0.69 0.00 0.00 0.00 0.00 177.39 178.25 1q7i n GLU 34 N 5.30 -3.41 -1.56 0.00 2.13 0.11 -4.62 120.64 118.59 1q7i n GLU 34 Ca -0.06 -0.74 -0.15 0.00 0.66 0.00 0.00 57.16 56.86 1q7i n GLU 34 Cb 0.49 -0.95 -0.08 0.00 0.27 0.00 0.00 31.44 31.17 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 -3.90 0.55 -3.02 5.31 6.02 -1.26 -1.90 117.38 119.20 1q7i n GLN 35 Ca 0.07 -0.74 -0.12 0.00 -0.01 0.00 0.00 57.00 56.20 1q7i n GLN 35 Cb 0.30 -3.50 0.05 0.00 1.02 0.00 0.00 30.24 28.11 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 -5.40 0.73 -0.19 0.00 2.36 -0.80 -2.69 119.74 113.75 1q7i s LYS 37 Ca 0.22 0.30 -0.28 0.00 -2.55 0.00 0.00 55.97 53.66 1q7i s LYS 37 Cb -0.10 0.34 -0.00 0.00 -1.05 0.00 0.00 37.83 37.03 1q7i s LYS 37 CO 0.42 -0.17 0.96 -0.06 1.55 0.00 0.00 175.35 178.05 1q7i s PHE 38 N -0.62 3.39 1.07 4.03 0.08 -1.26 0.05 117.98 124.71 1q7i s PHE 38 Ca -0.07 1.41 -0.15 0.00 0.12 0.00 0.00 56.93 58.24 1q7i s PHE 38 Cb -0.03 -3.17 0.23 0.00 -0.57 0.00 0.00 43.02 39.47 1q7i s PHE 38 CO 0.04 -0.37 0.52 0.43 -0.10 0.00 0.00 175.22 175.74 1q7i n SER 39 N 5.80 -3.29 -4.78 1.36 7.64 -0.28 -4.79 113.62 115.28 1q7i n SER 39 Ca 0.09 -0.53 -0.38 0.00 1.01 0.00 0.00 58.87 59.06 1q7i n SER 39 Cb 0.47 -0.78 -0.06 0.00 -1.01 0.00 0.00 64.21 62.84 1q7i n SER 39 CO 0.00 0.00 0.00 -0.13 -3.01 0.00 0.00 175.04 171.90 1q7i s ARG 40 N -3.84 4.19 1.04 1.43 0.52 -1.26 -4.73 118.95 116.31 1q7i s ARG 40 Ca 0.40 0.55 -0.14 0.00 -0.52 0.00 0.00 55.73 56.03 1q7i s ARG 40 Cb -0.07 -3.32 0.21 0.00 0.52 0.00 0.00 34.95 32.28 1q7i s ARG 40 CO 0.34 0.44 0.45 0.00 0.02 0.00 0.00 175.30 176.55 1q7i n ALA 41 N 2.61 -0.71 -2.26 2.13 0.00 -1.26 -2.94 120.51 118.08 1q7i n ALA 41 Ca -0.10 -1.09 -0.19 0.00 0.00 0.00 0.00 53.44 52.07 1q7i n ALA 41 Cb 0.52 -0.88 -0.02 0.00 0.00 0.00 0.00 19.45 19.06 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 2.40 -0.09 3.89 0.00 0.00 -0.93 -4.91 105.19 105.54 1q7i n GLY 42 Ca 0.07 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 45.89 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 -4.79 2.59 -0.51 1.61 2.47 -1.15 -4.89 119.74 115.07 1q7i s LYS 43 Ca 0.00 -1.47 -0.14 0.00 -1.56 0.00 0.00 55.97 52.80 1q7i s LYS 43 Cb 0.00 -2.43 0.12 0.00 -1.46 0.00 0.00 37.83 34.06 1q7i s LYS 43 CO 0.00 -0.16 0.44 0.42 0.16 0.00 0.00 175.35 176.21 1q7i s ILE 44 N -2.43 4.89 -2.04 5.43 -1.09 -1.26 -0.31 121.20 124.38 1q7i s ILE 44 Ca 0.48 -1.55 0.17 0.00 -2.23 0.00 0.00 60.65 57.52 1q7i s ILE 44 Cb -0.04 -4.13 0.47 0.00 -1.58 0.00 0.00 42.46 37.17 1q7i s ILE 44 CO 0.28 -0.81 1.62 0.00 -1.23 0.00 0.00 174.94 174.81 1q7i n ARG 46 N -0.59 0.00 -3.32 0.00 3.00 -1.26 -4.62 116.66 109.86 1q7i n ARG 46 Ca 0.13 0.00 -0.12 0.00 -0.00 0.00 0.00 57.85 57.86 1q7i n ARG 46 Cb 0.10 0.00 -0.06 0.00 0.00 0.00 0.00 32.46 32.50 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 -2.06 -0.54 0.36 5.15 2.07 -1.26 -4.60 121.20 120.32 1q7i s ILE 47 Ca 0.00 -0.55 -0.05 0.00 -1.41 0.00 0.00 60.65 58.64 1q7i s ILE 47 Cb 0.00 -0.74 0.09 0.00 0.13 0.00 0.00 42.46 41.93 1q7i s ILE 47 CO 0.00 -0.38 0.19 0.00 -1.91 0.00 0.00 174.94 172.84 1q7i n ALA 48 N 4.80 -1.17 0.00 1.50 0.00 -1.26 -5.00 120.51 119.38 1q7i n ALA 48 Ca 0.06 -0.34 0.00 0.00 0.00 0.00 0.00 53.44 53.16 1q7i n ALA 48 Cb 0.48 -0.03 0.00 0.00 0.00 0.00 0.00 19.45 19.90 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 -2.21 2.40 0.00 0.00 1.74 -1.26 -5.06 116.66 112.26 1q7i n ARG 49 Ca 0.03 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 57.11 1q7i n ARG 49 Cb 0.13 -0.81 0.00 0.00 -1.02 0.00 0.00 32.46 30.76 1q7i n ARG 49 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1q7i n GLY 50 N 1.85 1.02 3.09 -0.13 0.00 -1.26 -5.11 105.19 104.64 1q7i n GLY 50 Ca 0.00 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.77 1q7i n GLY 50 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1q7i s ASP 51 N 0.93 1.99 0.00 1.61 1.01 -1.26 -5.09 116.67 115.86 1q7i s ASP 51 Ca 0.00 -0.33 0.00 0.00 0.71 0.00 0.00 52.55 52.93 1q7i s ASP 51 Cb 0.00 -0.71 0.00 0.00 1.01 0.00 0.00 42.92 43.22 1q7i s ASP 51 CO 0.00 0.10 0.00 -2.67 0.21 0.00 0.00 175.17 172.81 1q7i n TRP 52 N 3.43 0.00 -3.88 4.23 -0.00 -1.26 -5.10 117.44 114.85 1q7i n TRP 52 Ca -0.20 0.00 -0.35 0.00 -0.00 0.00 0.00 57.50 56.95 1q7i n TRP 52 Cb 0.53 0.00 -0.14 0.00 -0.00 0.00 0.00 31.31 31.70 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 4.43 1.23 -0.67 -0.87 -1.26 -5.10 114.94 108.70 1q7i s ASN 53 Ca 0.00 -0.39 -0.14 0.00 -1.57 0.00 0.00 52.86 50.76 1q7i s ASN 53 Cb 0.00 -1.76 0.31 0.00 -0.02 0.00 0.00 41.25 39.78 1q7i s ASN 53 CO 0.00 -0.03 0.99 0.47 -2.57 0.00 0.00 177.10 175.96 1q7i n ASP 54 N 4.81 -2.12 -3.36 -1.22 9.92 -1.26 -4.84 116.55 118.48 1q7i n ASP 54 Ca -0.18 -0.28 -0.39 0.00 -0.53 0.00 0.00 54.79 53.42 1q7i n ASP 54 Cb 0.51 -1.22 -0.01 0.00 -0.64 0.00 0.00 41.12 39.75 1q7i n ASP 54 CO 0.00 0.00 0.00 0.47 0.13 0.00 0.00 177.20 177.80 1q7i n ASP 55 N -5.11 7.97 -4.47 -2.24 9.92 -1.26 -4.95 116.55 116.42 1q7i n ASP 55 Ca 0.03 -3.08 -0.45 0.00 -0.53 0.00 0.00 54.79 50.76 1q7i n ASP 55 Cb 0.55 -1.37 -0.10 0.00 -0.64 0.00 0.00 41.12 39.56 1q7i n ASP 55 CO 0.00 0.00 0.00 -1.14 0.13 0.00 0.00 177.20 176.19 1q7i n ARG 56 N 1.85 0.53 -1.55 -1.24 3.00 -1.25 -1.18 116.66 116.83 1q7i n ARG 56 Ca 0.63 0.08 -0.51 0.00 -0.00 0.00 0.00 57.85 58.05 1q7i n ARG 56 Cb 0.28 -2.21 -0.05 0.00 0.00 0.00 0.00 32.46 30.48 1q7i n ARG 56 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.63 177.63 1q7i s THR 58 N -0.21 3.56 -1.56 0.00 -4.23 -1.26 -2.20 115.64 109.73 1q7i s THR 58 Ca 0.76 -0.08 0.17 0.00 -1.18 0.00 0.00 61.69 61.36 1q7i s THR 58 Cb -0.93 -3.41 0.34 0.00 1.34 0.00 0.00 72.50 69.84 1q7i s THR 58 CO 0.53 -0.41 1.48 0.61 -0.54 0.00 0.00 174.62 176.30 1q7i n GLY 59 N -2.55 -0.77 0.16 3.99 0.00 -1.26 -2.35 105.19 102.40 1q7i n GLY 59 Ca 0.05 -0.09 0.04 0.00 0.00 0.00 0.00 46.02 46.02 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 -1.22 1.10 -4.34 1.61 6.02 -1.26 -4.86 117.38 114.44 1q7i n GLN 60 Ca 0.09 -1.63 -0.29 0.00 -0.01 0.00 0.00 57.00 55.16 1q7i n GLN 60 Cb 0.12 -0.98 -0.12 0.00 1.02 0.00 0.00 30.24 30.28 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 -1.56 3.67 0.00 1.08 0.15 -0.99 -5.03 113.70 111.02 1q7i s SER 61 Ca 0.12 -0.64 0.00 0.00 0.70 0.00 0.00 55.95 56.13 1q7i s SER 61 Cb 0.11 -0.42 0.00 0.00 -1.71 0.00 0.00 66.02 64.00 1q7i s SER 61 CO 0.01 0.17 0.00 0.00 1.20 0.00 0.00 173.24 174.63 1q7i n ALA 62 N 0.80 1.87 -2.65 5.45 0.00 -1.26 -4.43 120.51 120.29 1q7i n ALA 62 Ca -0.16 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.28 1q7i n ALA 62 Cb 0.53 0.21 0.00 0.00 0.00 0.00 0.00 19.45 20.19 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 -1.80 0.00 -3.94 0.00 9.92 -1.26 0.47 116.55 119.95 1q7i n ASP 63 Ca 0.00 -0.91 -0.21 0.00 -0.53 0.00 0.00 54.79 53.13 1q7i n ASP 63 Cb 0.42 0.00 -0.16 0.00 -0.64 0.00 0.00 41.12 40.74 1q7i n ASP 63 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 1q7i n PRO 65 N 3.91 1.44 -3.60 0.00 -0.04 -1.26 -5.03 135.00 130.42 1q7i n PRO 65 Ca -0.24 0.00 -0.02 0.00 -0.04 0.00 0.00 63.50 63.20 1q7i n PRO 65 Cb 0.51 0.00 -0.05 0.00 -0.04 0.00 0.00 33.50 33.93 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 0.54 -0.22 0.54 1.70 -1.26 -4.97 118.95 115.28 1q7i s ARG 66 Ca 0.00 1.24 0.03 0.00 -0.47 0.00 0.00 55.73 56.53 1q7i s ARG 66 Cb 0.00 0.63 -0.15 0.00 -0.57 0.00 0.00 34.95 34.85 1q7i s ARG 66 CO 0.00 -0.17 -0.17 0.66 -1.08 0.00 0.00 175.30 174.55 1q7i n TYR 67 N 5.07 0.00 -0.78 5.89 4.01 -1.26 -5.18 117.16 124.91 1q7i n TYR 67 Ca -0.13 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.61 1q7i n TYR 67 Cb 0.52 -0.86 0.00 0.00 -0.31 0.00 0.00 39.34 38.69 1q7i n TYR 67 CO 0.00 0.00 0.00 1.58 -0.46 0.00 0.00 176.86 177.98