#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 1.51 -1.25 1.61 1.02 -1.26 -5.03 119.74 116.34 1q7i s LYS 2 Ca 0.00 -0.81 -0.07 0.00 0.02 0.00 0.00 55.97 55.11 1q7i s LYS 2 Cb 0.00 -1.53 0.02 0.00 -0.52 0.00 0.00 37.83 35.80 1q7i s LYS 2 CO 0.00 0.41 2.69 -1.91 -0.92 0.00 0.00 175.35 175.62 1q7i n GLU 3 N 2.27 3.93 -3.31 1.68 4.07 -1.26 -4.67 120.64 123.34 1q7i n GLU 3 Ca -0.16 -2.78 -0.26 0.00 -0.06 0.00 0.00 57.16 53.90 1q7i n GLU 3 Cb 0.53 -2.59 -0.07 0.00 -0.06 0.00 0.00 31.44 29.24 1q7i n GLU 3 CO 0.00 0.00 0.00 0.00 -0.06 0.00 0.00 177.13 177.07 1q7i n ASP 5 N 0.98 0.07 -4.46 0.00 -0.08 0.35 -4.43 116.55 108.99 1q7i n ASP 5 Ca 0.27 1.47 -0.22 0.00 -1.51 0.00 0.00 54.79 54.80 1q7i n ASP 5 Cb 0.46 -0.61 -0.10 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 -0.64 1.60 -4.56 0.00 3.41 -1.26 -4.68 113.62 107.50 1q7i n SER 7 Ca -0.05 -1.63 -0.34 0.00 -0.26 0.00 0.00 58.87 56.59 1q7i n SER 7 Cb 0.64 0.00 -0.11 0.00 -0.26 0.00 0.00 64.21 64.48 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 -0.63 5.16 0.00 4.04 0.01 -1.26 -4.97 113.70 116.06 1q7i s SER 8 Ca 0.00 -0.04 0.07 0.00 1.31 0.00 0.00 55.95 57.29 1q7i s SER 8 Cb 0.00 -1.86 0.42 0.00 0.21 0.00 0.00 66.02 64.79 1q7i s SER 8 CO 0.00 0.17 1.21 -0.81 0.41 0.00 0.00 173.24 174.22 1q7i n PRO 9 N 3.55 0.93 -0.11 12.44 -0.04 -1.26 -3.12 135.00 147.39 1q7i n PRO 9 Ca -0.17 0.00 0.08 0.00 -0.04 0.00 0.00 63.50 63.37 1q7i n PRO 9 Cb 0.52 -1.12 0.11 0.00 -0.04 0.00 0.00 33.50 32.97 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 -0.62 1.27 -3.41 0.54 1.02 -1.26 -4.90 120.64 113.29 1q7i n GLU 10 Ca 0.05 -2.28 -0.38 0.00 -0.02 0.00 0.00 57.16 54.54 1q7i n GLU 10 Cb 0.02 -1.33 -0.06 0.00 -0.02 0.00 0.00 31.44 30.05 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 -2.46 6.65 0.37 1.62 2.47 -1.18 -4.95 114.94 117.45 1q7i s ASN 11 Ca 0.25 0.77 0.20 0.00 0.42 0.00 0.00 52.86 54.50 1q7i s ASN 11 Cb 0.22 -2.25 0.28 0.00 -1.45 0.00 0.00 41.25 38.05 1q7i s ASN 11 CO 0.02 0.09 1.56 1.55 -3.72 0.00 0.00 177.10 176.60 1q7i h PRO 12 N 6.31 0.00 -0.74 0.43 0.13 -1.95 -3.17 132.00 133.00 1q7i h PRO 12 Ca -0.43 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.70 1q7i h PRO 12 Cb 1.18 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.31 1q7i h PRO 12 CO 0.73 0.23 0.00 0.00 -0.23 0.00 0.00 178.00 178.73 1q7i s ASP 15 N 2.26 6.44 0.52 0.00 -1.08 0.23 -4.67 116.67 120.37 1q7i s ASP 15 Ca -0.06 1.54 0.25 0.00 -0.52 0.00 0.00 52.55 53.76 1q7i s ASP 15 Cb -0.10 -2.53 1.42 0.00 -1.46 0.00 0.00 42.92 40.24 1q7i s ASP 15 CO -0.15 -1.22 2.09 0.00 0.52 0.00 0.00 175.17 176.41 1q7i h ALA 16 N 10.42 1.44 -0.00 3.66 0.00 -1.87 0.48 119.26 133.39 1q7i h ALA 16 Ca -0.32 -0.10 0.00 0.00 0.00 0.00 0.00 54.91 54.49 1q7i h ALA 16 Cb 1.14 -0.02 -0.00 0.00 0.00 0.00 0.00 17.79 18.91 1q7i h ALA 16 CO 1.01 0.14 0.00 0.00 0.00 0.00 0.00 179.25 180.40 1q7i h ALA 17 N 1.89 1.42 0.00 0.00 0.00 -1.95 -2.85 119.26 117.76 1q7i h ALA 17 Ca -0.00 -0.00 -0.07 0.00 0.00 0.00 0.00 54.91 54.84 1q7i h ALA 17 Cb 0.26 0.00 -0.16 0.00 0.00 0.00 0.00 17.79 17.89 1q7i h ALA 17 CO 0.01 -0.00 -0.72 0.25 0.00 0.00 0.00 179.25 178.80 1q7i n THR 18 N -3.68 0.01 -1.80 0.00 -2.24 -0.58 -4.98 114.28 101.02 1q7i n THR 18 Ca -0.03 -0.42 0.00 0.00 -2.27 0.00 0.00 64.05 61.33 1q7i n THR 18 Cb 0.08 0.70 0.00 0.00 -2.10 0.00 0.00 70.33 69.01 1q7i n THR 18 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1q7i n LYS 20 N -1.74 1.30 -1.77 0.00 4.76 -0.95 0.13 118.16 119.88 1q7i n LYS 20 Ca 0.00 -0.34 -0.29 0.00 -2.87 0.00 0.00 58.31 54.81 1q7i n LYS 20 Cb 0.30 0.02 0.14 0.00 -1.84 0.00 0.00 35.03 33.65 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 2.34 -0.15 -0.35 1.43 -1.26 0.76 118.68 121.44 1q7i s LEU 21 Ca 0.04 0.66 -0.10 0.00 -1.03 0.00 0.00 54.13 53.69 1q7i s LEU 21 Cb -0.00 -2.92 -0.05 0.00 0.03 0.00 0.00 46.19 43.25 1q7i s LEU 21 CO 0.02 -2.45 0.19 -0.60 0.23 0.00 0.00 176.35 173.75 1q7i s ARG 22 N -5.59 3.95 -0.97 1.70 3.52 -0.70 -3.43 118.95 117.43 1q7i s ARG 22 Ca 0.67 -0.07 -0.26 0.00 -0.13 0.00 0.00 55.73 55.94 1q7i s ARG 22 Cb -0.10 -3.33 -0.16 0.00 -1.56 0.00 0.00 34.95 29.80 1q7i s ARG 22 CO 0.52 0.47 2.19 -1.25 -0.81 0.00 0.00 175.30 176.41 1q7i s PRO 23 N -0.16 1.64 0.00 5.12 0.04 -1.26 -2.92 135.00 137.46 1q7i s PRO 23 Ca 0.13 -0.16 0.00 0.00 0.04 0.00 0.00 61.00 61.02 1q7i s PRO 23 Cb -0.12 -4.95 0.00 0.00 0.04 0.00 0.00 34.50 29.47 1q7i s PRO 23 CO 0.02 -4.70 0.00 0.41 0.04 0.00 0.00 177.00 172.77 1q7i n GLY 24 N 6.45 -1.15 0.00 0.56 0.00 -1.26 -5.14 105.19 104.64 1q7i n GLY 24 Ca 0.44 0.30 0.00 0.00 0.00 0.00 0.00 46.02 46.76 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 0.00 0.00 -1.85 4.61 0.00 -1.15 -5.04 120.51 117.08 1q7i n ALA 25 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 1q7i n ALA 25 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.45 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 -0.20 0.00 -3.65 0.00 6.02 -1.19 -4.94 117.38 113.42 1q7i n GLN 26 Ca 0.00 -0.80 0.01 0.00 -0.01 0.00 0.00 57.00 56.20 1q7i n GLN 26 Cb 0.00 -0.44 -0.06 0.00 1.02 0.00 0.00 30.24 30.76 1q7i n GLN 26 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 1q7i n GLY 28 N 2.35 -0.14 0.00 0.00 0.00 -1.26 -4.28 105.19 101.86 1q7i n GLY 28 Ca -0.14 -0.34 0.00 0.00 0.00 0.00 0.00 46.02 45.54 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 -1.30 0.00 0.00 1.61 -0.00 -1.26 -4.95 120.64 114.74 1q7i n GLU 29 Ca 0.02 0.00 0.00 0.00 -0.00 0.00 0.00 57.16 57.18 1q7i n GLU 29 Cb 0.19 0.00 0.00 0.00 -0.00 0.00 0.00 31.44 31.63 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 0.50 0.27 -1.84 0.00 -1.26 -4.81 105.19 98.05 1q7i n GLY 30 Ca 0.00 -0.74 -0.07 0.00 0.00 0.00 0.00 46.02 45.21 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 0.82 -4.53 0.99 5.85 -1.60 -2.97 115.31 113.88 1q7i h LEU 31 Ca 0.00 -0.17 -0.71 0.00 0.84 0.00 0.00 57.88 57.84 1q7i h LEU 31 Cb 0.00 -0.21 -0.30 0.00 0.37 0.00 0.00 40.66 40.51 1q7i h LEU 31 CO 0.00 0.77 0.70 0.00 -0.34 0.00 0.00 178.44 179.57 1q7i n GLU 34 N 3.52 0.38 -1.55 0.00 1.02 -0.21 -4.48 120.64 119.32 1q7i n GLU 34 Ca 0.07 0.00 -0.15 0.00 -0.02 0.00 0.00 57.16 57.05 1q7i n GLU 34 Cb 0.37 0.00 -0.09 0.00 -0.02 0.00 0.00 31.44 31.70 1q7i n GLU 34 CO 0.00 0.00 0.00 0.94 1.18 0.00 0.00 177.13 179.25 1q7i n GLN 35 N -0.45 0.50 -4.04 3.49 7.27 -1.26 -2.90 117.38 119.99 1q7i n GLN 35 Ca 0.00 -0.70 -0.30 0.00 0.07 0.00 0.00 57.00 56.07 1q7i n GLN 35 Cb 0.00 -3.31 -0.03 0.00 2.41 0.00 0.00 30.24 29.31 1q7i n GLN 35 CO 0.00 0.00 0.00 0.00 0.07 0.00 0.00 177.06 177.13 1q7i s LYS 37 N -6.83 0.87 0.12 0.00 2.20 -1.14 -3.18 119.74 111.78 1q7i s LYS 37 Ca 0.10 0.82 -0.31 0.00 -0.36 0.00 0.00 55.97 56.22 1q7i s LYS 37 Cb -0.05 0.42 -0.09 0.00 -1.51 0.00 0.00 37.83 36.61 1q7i s LYS 37 CO 0.93 -0.15 1.52 -0.06 -0.36 0.00 0.00 175.35 177.23 1q7i s PHE 38 N 0.03 2.97 0.85 4.03 0.08 -1.26 -1.04 117.98 123.64 1q7i s PHE 38 Ca -0.02 0.67 -0.14 0.00 0.12 0.00 0.00 56.93 57.56 1q7i s PHE 38 Cb -0.04 -3.84 0.22 0.00 -0.57 0.00 0.00 43.02 38.78 1q7i s PHE 38 CO 0.03 -3.14 0.64 0.43 -0.10 0.00 0.00 175.22 173.07 1q7i n SER 39 N 4.39 -2.44 -4.64 1.36 7.64 -1.08 -4.82 113.62 114.03 1q7i n SER 39 Ca 0.13 -0.77 -0.37 0.00 1.01 0.00 0.00 58.87 58.88 1q7i n SER 39 Cb 0.40 -0.64 -0.10 0.00 -1.01 0.00 0.00 64.21 62.87 1q7i n SER 39 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1q7i s ARG 40 N -4.47 4.04 0.93 1.43 3.03 -1.26 -4.68 118.95 117.96 1q7i s ARG 40 Ca 0.44 -0.29 -0.16 0.00 2.03 0.00 0.00 55.73 57.76 1q7i s ARG 40 Cb -0.06 -3.53 -0.14 0.00 -1.03 0.00 0.00 34.95 30.20 1q7i s ARG 40 CO 0.35 0.04 -0.74 0.00 -1.13 0.00 0.00 175.30 173.82 1q7i n ALA 41 N 4.35 -5.28 -0.84 7.88 0.00 0.05 -3.60 120.51 123.07 1q7i n ALA 41 Ca -0.15 -0.63 0.00 0.00 0.00 0.00 0.00 53.44 52.66 1q7i n ALA 41 Cb 0.52 -1.07 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 3.26 0.68 3.49 0.00 0.00 -0.03 -4.89 105.19 107.69 1q7i n GLY 42 Ca -0.02 -0.69 -0.33 0.00 0.00 0.00 0.00 46.02 44.98 1q7i n GLY 42 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1q7i s LYS 43 N -1.78 2.98 -0.32 1.61 -2.85 -1.23 -4.93 119.74 113.23 1q7i s LYS 43 Ca 0.00 -0.62 -0.29 0.00 -1.00 0.00 0.00 55.97 54.06 1q7i s LYS 43 Cb 0.00 -2.59 0.01 0.00 -2.06 0.00 0.00 37.83 33.19 1q7i s LYS 43 CO 0.00 0.48 1.20 -1.50 0.10 0.00 0.00 175.35 175.63 1q7i s ILE 44 N -0.32 4.29 -2.39 3.79 1.10 -1.26 -0.41 121.20 126.00 1q7i s ILE 44 Ca 0.04 1.46 0.22 0.00 -0.51 0.00 0.00 60.65 61.86 1q7i s ILE 44 Cb -0.13 -4.29 0.08 0.00 0.15 0.00 0.00 42.46 38.27 1q7i s ILE 44 CO 0.02 -0.52 1.14 0.00 -2.11 0.00 0.00 174.94 173.47 1q7i s ARG 46 N -2.20 0.69 -0.02 0.00 3.00 -1.26 -4.97 118.95 114.19 1q7i s ARG 46 Ca 0.22 1.08 0.12 0.00 -1.00 0.00 0.00 55.73 56.15 1q7i s ARG 46 Cb 0.18 0.19 0.39 0.00 0.00 0.00 0.00 34.95 35.71 1q7i s ARG 46 CO 0.44 -0.13 1.30 1.51 0.00 0.00 0.00 175.30 178.41 1q7i n ILE 47 N 3.82 0.70 -0.50 4.11 3.06 -1.26 -2.97 119.36 126.32 1q7i n ILE 47 Ca -0.19 -0.60 0.07 0.00 -2.50 0.00 0.00 62.75 59.53 1q7i n ILE 47 Cb 0.57 0.20 -0.02 0.00 0.54 0.00 0.00 39.64 40.93 1q7i n ILE 47 CO 0.00 0.00 0.00 0.00 -2.50 0.00 0.00 176.55 174.05 1q7i n ALA 48 N 0.69 -2.60 -1.00 1.51 0.00 -1.26 -4.69 120.51 113.16 1q7i n ALA 48 Ca 0.14 0.16 0.00 0.00 0.00 0.00 0.00 53.44 53.74 1q7i n ALA 48 Cb 0.42 -0.77 0.00 0.00 0.00 0.00 0.00 19.45 19.09 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 -1.80 0.00 -3.33 0.00 5.12 -1.26 -4.96 116.66 110.43 1q7i n ARG 49 Ca 0.00 0.00 -0.08 0.00 -1.93 0.00 0.00 57.85 55.84 1q7i n ARG 49 Cb 0.56 -0.31 -0.07 0.00 -1.16 0.00 0.00 32.46 31.48 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 -0.16 -0.48 0.00 -0.13 0.00 -1.26 -5.06 107.32 100.23 1q7i s GLY 50 Ca 0.00 0.95 0.00 0.00 0.00 0.00 0.00 44.72 45.67 1q7i s GLY 50 CO 0.00 2.75 0.00 1.34 0.00 0.00 0.00 173.10 177.19 1q7i n ASP 51 N 5.37 -1.88 0.00 1.64 -0.08 -1.26 -5.12 116.55 115.22 1q7i n ASP 51 Ca -0.03 0.00 0.00 0.00 -1.51 0.00 0.00 54.79 53.25 1q7i n ASP 51 Cb 0.50 -0.94 0.00 0.00 2.34 0.00 0.00 41.12 43.02 1q7i n ASP 51 CO 0.00 0.00 0.00 -2.67 0.12 0.00 0.00 177.20 174.65 1q7i n TRP 52 N 0.12 0.00 -3.14 -0.67 -0.00 -1.26 -5.08 117.44 107.41 1q7i n TRP 52 Ca 0.00 0.00 -0.43 0.00 -0.00 0.00 0.00 57.50 57.07 1q7i n TRP 52 Cb 0.00 0.00 -0.07 0.00 -0.00 0.00 0.00 31.31 31.24 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 6.26 0.87 -0.67 -0.87 -1.26 -5.04 114.94 110.23 1q7i s ASN 53 Ca 0.00 -0.65 -0.12 0.00 -1.57 0.00 0.00 52.86 50.52 1q7i s ASN 53 Cb 0.00 -2.30 0.11 0.00 -0.02 0.00 0.00 41.25 39.03 1q7i s ASN 53 CO 0.00 -0.84 1.09 -0.90 -2.57 0.00 0.00 177.10 173.88 1q7i n ASP 54 N 6.23 0.39 -4.81 -1.22 5.68 -1.26 -4.95 116.55 116.61 1q7i n ASP 54 Ca -0.04 0.49 -0.37 0.00 -0.50 0.00 0.00 54.79 54.37 1q7i n ASP 54 Cb 0.47 -1.46 -0.06 0.00 -1.14 0.00 0.00 41.12 38.92 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 -2.33 7.09 -0.30 -1.12 -1.08 -1.16 -5.03 116.67 112.75 1q7i s ASP 55 Ca 0.69 1.43 -0.03 0.00 -0.52 0.00 0.00 52.55 54.12 1q7i s ASP 55 Cb -0.26 -2.42 0.11 0.00 -1.46 0.00 0.00 42.92 38.89 1q7i s ASP 55 CO 0.56 0.07 0.15 -0.60 0.52 0.00 0.00 175.17 175.87 1q7i s ARG 56 N -1.82 0.24 0.54 4.34 6.06 -1.25 -2.81 118.95 124.26 1q7i s ARG 56 Ca 0.41 -0.61 -0.19 0.00 -2.50 0.00 0.00 55.73 52.85 1q7i s ARG 56 Cb -0.18 -1.14 -0.10 0.00 0.06 0.00 0.00 34.95 33.59 1q7i s ARG 56 CO 0.21 -1.04 0.51 0.00 -2.50 0.00 0.00 175.30 172.48 1q7i n THR 58 N -1.54 0.00 -0.54 0.00 -2.24 -1.26 -0.85 114.28 107.84 1q7i n THR 58 Ca 0.11 0.00 0.10 0.00 -2.27 0.00 0.00 64.05 61.99 1q7i n THR 58 Cb 0.46 -0.31 0.35 0.00 -2.10 0.00 0.00 70.33 68.74 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 2.64 0.29 3.38 0.00 -1.26 -0.77 105.19 114.47 1q7i n GLY 59 Ca 0.00 -0.84 0.00 0.00 0.00 0.00 0.00 46.02 45.18 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 1.19 0.00 -3.72 1.61 6.02 -1.26 -4.83 117.38 116.39 1q7i n GLN 60 Ca 0.26 -0.41 -0.38 0.00 -0.01 0.00 0.00 57.00 56.46 1q7i n GLN 60 Cb 0.86 -0.26 -0.12 0.00 1.02 0.00 0.00 30.24 31.74 1q7i n GLN 60 CO 0.00 0.00 0.00 -1.54 -1.01 0.00 0.00 177.06 174.51 1q7i s SER 61 N -0.30 5.33 0.25 1.08 1.04 -1.26 -4.93 113.70 114.91 1q7i s SER 61 Ca 0.00 -0.92 0.25 0.00 0.48 0.00 0.00 55.95 55.75 1q7i s SER 61 Cb 0.00 -1.91 0.53 0.00 0.10 0.00 0.00 66.02 64.75 1q7i s SER 61 CO 0.00 -0.28 1.59 0.00 0.98 0.00 0.00 173.24 175.53 1q7i h ALA 62 N 8.27 0.88 -3.42 5.32 0.00 -1.89 -3.42 119.26 125.00 1q7i h ALA 62 Ca -0.27 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.64 1q7i h ALA 62 Cb 1.11 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.90 1q7i h ALA 62 CO 0.61 0.00 0.00 -0.25 0.00 0.00 0.00 179.25 179.61 1q7i n ASP 63 N -2.49 1.77 -3.79 0.00 9.92 -1.26 -0.36 116.55 120.33 1q7i n ASP 63 Ca 0.04 -0.48 -0.16 0.00 -0.53 0.00 0.00 54.79 53.67 1q7i n ASP 63 Cb 0.47 0.00 -0.16 0.00 -0.64 0.00 0.00 41.12 40.79 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 4.13 3.19 -0.53 0.00 -0.04 -1.26 -5.00 135.00 135.49 1q7i n PRO 65 Ca -0.27 -3.20 -0.29 0.00 -0.04 0.00 0.00 63.50 59.70 1q7i n PRO 65 Cb 0.50 -3.27 0.24 0.00 -0.04 0.00 0.00 33.50 30.93 1q7i n PRO 65 CO 0.00 0.00 0.00 2.89 -0.04 0.00 0.00 175.50 178.35 1q7i n ARG 66 N 6.50 -1.99 -1.77 0.54 1.85 -1.26 -4.97 116.66 115.56 1q7i n ARG 66 Ca 0.46 -0.54 -0.01 0.00 -1.00 0.00 0.00 57.85 56.77 1q7i n ARG 66 Cb 0.42 -2.21 0.04 0.00 -1.05 0.00 0.00 32.46 29.65 1q7i n ARG 66 CO 0.00 0.00 0.00 2.48 -0.01 0.00 0.00 177.63 180.10 1q7i n TYR 67 N -4.81 -0.62 0.34 2.89 4.11 -1.26 -5.20 117.16 112.61 1q7i n TYR 67 Ca 0.05 -0.53 0.04 0.00 -0.00 0.00 0.00 57.90 57.47 1q7i n TYR 67 Cb 0.54 0.83 0.03 0.00 -0.00 0.00 0.00 39.34 40.74 1q7i n TYR 67 CO 0.00 0.00 0.00 0.72 -0.00 0.00 0.00 176.86 177.58