#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 -2.27 -1.69 1.61 5.02 -1.26 -4.89 118.16 114.67 1q7i n LYS 2 Ca 0.00 1.94 -0.31 0.00 -2.02 0.00 0.00 58.31 57.91 1q7i n LYS 2 Cb 0.00 -4.47 0.05 0.00 -0.02 0.00 0.00 35.03 30.59 1q7i n LYS 2 CO 0.00 0.00 0.00 -0.85 -0.52 0.00 0.00 177.40 176.03 1q7i n GLU 3 N -0.14 3.05 -2.81 1.97 0.28 -1.26 -4.70 120.64 117.04 1q7i n GLU 3 Ca 0.05 -3.69 -0.09 0.00 -0.16 0.00 0.00 57.16 53.27 1q7i n GLU 3 Cb 0.49 -2.28 0.03 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 1.96 0.19 -3.77 0.00 2.03 -1.20 -4.29 116.55 111.47 1q7i n ASP 5 Ca 0.13 1.24 -0.13 0.00 0.52 0.00 0.00 54.79 56.55 1q7i n ASP 5 Cb 0.60 -0.61 -0.10 0.00 -0.72 0.00 0.00 41.12 40.29 1q7i n ASP 5 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 1q7i n SER 7 N 2.33 0.85 -4.67 0.00 7.64 -1.26 -4.36 113.62 114.15 1q7i n SER 7 Ca -0.16 -0.83 -0.42 0.00 1.01 0.00 0.00 58.87 58.47 1q7i n SER 7 Cb 0.57 1.13 -0.03 0.00 -1.01 0.00 0.00 64.21 64.87 1q7i n SER 7 CO 0.00 0.00 0.00 -0.94 -3.01 0.00 0.00 175.04 171.09 1q7i s SER 8 N -3.07 6.55 0.00 6.43 1.04 -1.26 -4.83 113.70 118.56 1q7i s SER 8 Ca 0.05 2.51 0.15 0.00 0.48 0.00 0.00 55.95 59.15 1q7i s SER 8 Cb 0.15 -2.54 0.91 0.00 0.10 0.00 0.00 66.02 64.63 1q7i s SER 8 CO 0.81 -0.97 1.54 -0.81 0.98 0.00 0.00 173.24 174.79 1q7i n PRO 9 N 6.65 0.93 0.00 4.02 -0.04 -1.26 -3.08 135.00 142.22 1q7i n PRO 9 Ca 0.18 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.64 1q7i n PRO 9 Cb 0.41 -1.26 0.00 0.00 -0.04 0.00 0.00 33.50 32.61 1q7i n PRO 9 CO 0.00 0.00 0.00 -0.85 -0.04 0.00 0.00 175.50 174.61 1q7i n GLU 10 N -0.76 5.16 -2.07 0.54 0.00 -1.26 -4.88 120.64 117.38 1q7i n GLU 10 Ca 0.11 0.00 -0.42 0.00 0.00 0.00 0.00 57.16 56.85 1q7i n GLU 10 Cb 0.05 -0.43 -0.03 0.00 0.00 0.00 0.00 31.44 31.03 1q7i n GLU 10 CO 0.00 0.00 0.00 1.21 0.00 0.00 0.00 177.13 178.34 1q7i s ASN 11 N -0.85 6.72 0.02 -1.84 3.84 -1.18 -4.87 114.94 116.79 1q7i s ASN 11 Ca 0.00 2.32 0.27 0.00 0.21 0.00 0.00 52.86 55.65 1q7i s ASN 11 Cb 0.00 -2.56 1.12 0.00 -0.55 0.00 0.00 41.25 39.26 1q7i s ASN 11 CO 0.00 -0.80 1.85 -0.81 -2.79 0.00 0.00 177.10 174.55 1q7i n PRO 12 N 5.38 0.02 0.00 0.43 -0.04 -1.26 -3.02 135.00 136.51 1q7i n PRO 12 Ca 0.14 0.05 0.14 0.00 -0.04 0.00 0.00 63.50 63.80 1q7i n PRO 12 Cb 0.42 -1.52 0.58 0.00 -0.04 0.00 0.00 33.50 32.93 1q7i n PRO 12 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1q7i n ASP 15 N 4.29 3.56 -0.53 0.00 -0.08 0.20 -4.61 116.55 119.38 1q7i n ASP 15 Ca -0.24 1.05 0.03 0.00 -1.51 0.00 0.00 54.79 54.11 1q7i n ASP 15 Cb 0.53 -1.49 0.09 0.00 2.34 0.00 0.00 41.12 42.59 1q7i n ASP 15 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 1q7i n ALA 16 N 4.26 2.61 0.00 -1.67 0.00 -1.26 -2.54 120.51 121.92 1q7i n ALA 16 Ca 0.17 -0.38 0.00 0.00 0.00 0.00 0.00 53.44 53.23 1q7i n ALA 16 Cb 0.32 -1.00 0.00 0.00 0.00 0.00 0.00 19.45 18.77 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 0.08 3.00 1.56 0.00 0.00 -1.26 -4.66 120.51 119.23 1q7i n ALA 17 Ca 0.06 0.00 0.12 0.00 0.00 0.00 0.00 53.44 53.62 1q7i n ALA 17 Cb 0.28 0.48 0.51 0.00 0.00 0.00 0.00 19.45 20.72 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 -3.03 0.09 -3.15 0.00 -1.04 -1.26 -4.96 114.28 100.93 1q7i n THR 18 Ca 0.00 -0.20 -0.20 0.00 -2.04 0.00 0.00 64.05 61.60 1q7i n THR 18 Cb 0.46 0.14 0.02 0.00 -1.82 0.00 0.00 70.33 69.13 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 -0.04 -0.96 -2.76 0.00 5.02 -1.19 -2.74 118.16 115.49 1q7i n LYS 20 Ca 0.01 0.00 -0.42 0.00 -2.02 0.00 0.00 58.31 55.88 1q7i n LYS 20 Cb 0.52 0.00 -0.03 0.00 -0.02 0.00 0.00 35.03 35.50 1q7i n LYS 20 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 1q7i s LEU 21 N 0.00 4.30 -0.13 -0.35 1.43 -1.26 0.59 118.68 123.26 1q7i s LEU 21 Ca 0.00 1.50 -0.18 0.00 -1.03 0.00 0.00 54.13 54.43 1q7i s LEU 21 Cb 0.00 -3.47 -0.25 0.00 0.03 0.00 0.00 46.19 42.50 1q7i s LEU 21 CO 0.00 -0.32 0.50 -0.09 0.23 0.00 0.00 176.35 176.67 1q7i h ARG 22 N 6.96 0.17 0.00 1.70 2.43 -1.78 -3.40 114.38 120.46 1q7i h ARG 22 Ca -0.36 -0.30 -0.04 0.00 -0.81 0.00 0.00 59.98 58.47 1q7i h ARG 22 Cb 1.18 0.11 0.02 0.00 -0.42 0.00 0.00 29.97 30.86 1q7i h ARG 22 CO 0.80 1.14 0.04 -0.35 -1.51 0.00 0.00 179.97 180.09 1q7i n PRO 23 N -4.06 -0.03 -0.26 0.20 -0.04 -1.26 -4.92 135.00 124.64 1q7i n PRO 23 Ca -0.25 -0.21 0.04 0.00 -0.04 0.00 0.00 63.50 63.03 1q7i n PRO 23 Cb 0.83 -0.12 0.15 0.00 -0.04 0.00 0.00 33.50 34.31 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 4.17 1.26 3.23 0.55 0.00 -1.26 -4.91 105.19 108.23 1q7i n GLY 24 Ca 0.02 -0.34 -0.30 0.00 0.00 0.00 0.00 46.02 45.40 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 0.30 -4.83 -0.02 4.61 0.00 -1.26 -4.96 120.51 114.34 1q7i n ALA 25 Ca 0.10 -1.86 0.00 0.00 0.00 0.00 0.00 53.44 51.68 1q7i n ALA 25 Cb 0.44 -1.59 0.00 0.00 0.00 0.00 0.00 19.45 18.30 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 -5.56 1.93 0.00 0.00 3.00 -1.13 -4.94 117.38 110.68 1q7i n GLN 26 Ca 0.12 -1.22 0.00 0.00 -0.01 0.00 0.00 57.00 55.89 1q7i n GLN 26 Cb 0.59 -0.99 0.00 0.00 0.00 0.00 0.00 30.24 29.84 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 1.33 3.27 0.00 0.00 -1.26 -3.82 105.19 104.69 1q7i n GLY 28 Ca 0.00 -0.24 0.04 0.00 0.00 0.00 0.00 46.02 45.81 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 -0.84 0.02 0.00 1.61 4.04 -1.26 -4.83 118.70 117.43 1q7i s GLU 29 Ca 0.13 0.04 0.00 0.00 0.04 0.00 0.00 54.97 55.18 1q7i s GLU 29 Cb 0.07 0.02 0.00 0.00 0.02 0.00 0.00 34.13 34.24 1q7i s GLU 29 CO 0.10 -0.01 0.00 0.41 -1.84 0.00 0.00 175.26 173.93 1q7i n GLY 30 N 4.21 -0.02 0.25 -3.83 0.00 -1.26 -4.89 105.19 99.66 1q7i n GLY 30 Ca -0.08 -0.87 -0.11 0.00 0.00 0.00 0.00 46.02 44.95 1q7i n GLY 30 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 1q7i h LEU 31 N 0.00 0.88 -4.19 0.99 3.38 -1.45 -3.23 115.31 111.70 1q7i h LEU 31 Ca 0.00 -0.39 -0.59 0.00 0.09 0.00 0.00 57.88 56.99 1q7i h LEU 31 Cb 0.00 -0.24 -0.40 0.00 0.09 0.00 0.00 40.66 40.10 1q7i h LEU 31 CO 0.00 1.07 -0.52 0.00 0.09 0.00 0.00 178.44 179.08 1q7i n GLU 34 N 5.10 -1.85 -1.56 0.00 4.07 0.91 -4.72 120.64 122.58 1q7i n GLU 34 Ca -0.12 -0.45 -0.13 0.00 -0.06 0.00 0.00 57.16 56.40 1q7i n GLU 34 Cb 0.45 -0.45 -0.08 0.00 -0.06 0.00 0.00 31.44 31.29 1q7i n GLU 34 CO 0.00 0.00 0.00 0.00 -0.06 0.00 0.00 177.13 177.07 1q7i n GLN 35 N -2.54 0.45 -3.00 5.31 0.00 -1.26 -2.70 117.38 113.64 1q7i n GLN 35 Ca 0.04 -1.03 -0.21 0.00 0.00 0.00 0.00 57.00 55.80 1q7i n GLN 35 Cb 0.16 -3.73 0.04 0.00 0.00 0.00 0.00 30.24 26.71 1q7i n GLN 35 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.06 177.06 1q7i s LYS 37 N -5.66 0.75 0.04 0.00 2.47 -1.10 -2.85 119.74 113.40 1q7i s LYS 37 Ca 0.30 1.07 -0.36 0.00 -1.56 0.00 0.00 55.97 55.42 1q7i s LYS 37 Cb -0.13 0.28 -0.15 0.00 -1.46 0.00 0.00 37.83 36.37 1q7i s LYS 37 CO 0.37 -0.12 1.56 1.19 0.16 0.00 0.00 175.35 178.51 1q7i n PHE 38 N 3.40 1.97 -0.13 4.03 3.72 -1.26 -0.06 117.46 129.13 1q7i n PHE 38 Ca -0.17 0.40 -0.10 0.00 -0.05 0.00 0.00 57.45 57.54 1q7i n PHE 38 Cb 0.57 -2.47 0.09 0.00 -0.94 0.00 0.00 39.48 36.73 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 3.82 -2.47 -4.82 4.37 7.64 -0.32 -4.64 113.62 117.22 1q7i n SER 39 Ca 0.20 -0.28 -0.37 0.00 1.01 0.00 0.00 58.87 59.43 1q7i n SER 39 Cb 0.23 -0.36 -0.06 0.00 -1.01 0.00 0.00 64.21 63.01 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 -3.22 3.83 0.94 1.43 0.52 -1.26 -4.59 118.95 116.60 1q7i s ARG 40 Ca 0.22 0.03 -0.12 0.00 -0.52 0.00 0.00 55.73 55.34 1q7i s ARG 40 Cb -0.04 -3.28 0.14 0.00 0.52 0.00 0.00 34.95 32.29 1q7i s ARG 40 CO 0.18 0.57 0.23 0.00 0.02 0.00 0.00 175.30 176.30 1q7i n ALA 41 N 2.51 -0.19 -2.28 2.13 0.00 -1.21 -3.07 120.51 118.39 1q7i n ALA 41 Ca -0.16 -0.91 -0.20 0.00 0.00 0.00 0.00 53.44 52.17 1q7i n ALA 41 Cb 0.53 -0.77 -0.02 0.00 0.00 0.00 0.00 19.45 19.20 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 2.54 -0.17 3.61 0.00 0.00 -0.27 -4.85 105.19 106.05 1q7i n GLY 42 Ca 0.05 -0.05 -0.36 0.00 0.00 0.00 0.00 46.02 45.65 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 -4.83 3.97 -0.90 1.61 2.47 -1.18 -4.81 119.74 116.07 1q7i s LYS 43 Ca 0.00 -0.33 -0.24 0.00 -1.56 0.00 0.00 55.97 53.84 1q7i s LYS 43 Cb 0.00 -3.44 0.03 0.00 -1.46 0.00 0.00 37.83 32.95 1q7i s LYS 43 CO 0.00 0.04 1.51 -1.50 0.16 0.00 0.00 175.35 175.56 1q7i s ILE 44 N 1.07 3.76 -0.80 5.43 1.10 -1.26 0.27 121.20 130.76 1q7i s ILE 44 Ca 0.06 -0.34 0.27 0.00 -0.51 0.00 0.00 60.65 60.13 1q7i s ILE 44 Cb -0.14 -4.78 0.27 0.00 0.15 0.00 0.00 42.46 37.96 1q7i s ILE 44 CO 0.04 -1.70 1.82 0.00 -2.11 0.00 0.00 174.94 172.99 1q7i s ARG 46 N -3.07 0.53 0.04 0.00 1.81 -1.23 -4.97 118.95 112.06 1q7i s ARG 46 Ca 0.12 1.23 -0.28 0.00 -1.72 0.00 0.00 55.73 55.08 1q7i s ARG 46 Cb 0.14 0.47 -0.05 0.00 -0.45 0.00 0.00 34.95 35.07 1q7i s ARG 46 CO 0.58 -0.19 0.88 -1.50 -0.68 0.00 0.00 175.30 174.38 1q7i s ILE 47 N 2.36 4.72 0.49 1.52 1.10 -1.26 -2.71 121.20 127.41 1q7i s ILE 47 Ca -0.06 1.88 -0.06 0.00 -0.51 0.00 0.00 60.65 61.90 1q7i s ILE 47 Cb -0.10 -4.23 0.11 0.00 0.15 0.00 0.00 42.46 38.38 1q7i s ILE 47 CO -0.17 0.28 0.66 0.00 -2.11 0.00 0.00 174.94 173.60 1q7i n ALA 48 N 3.19 -0.46 -1.00 1.50 0.00 -1.26 -4.99 120.51 117.50 1q7i n ALA 48 Ca 0.02 -1.01 0.00 0.00 0.00 0.00 0.00 53.44 52.44 1q7i n ALA 48 Cb 0.50 0.04 0.00 0.00 0.00 0.00 0.00 19.45 20.00 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 -2.34 0.00 0.07 0.00 5.12 -1.26 -4.94 116.66 113.31 1q7i n ARG 49 Ca 0.09 0.00 0.00 0.00 -1.93 0.00 0.00 57.85 56.01 1q7i n ARG 49 Cb 0.32 -0.60 0.00 0.00 -1.16 0.00 0.00 32.46 31.02 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 -0.10 -0.10 3.16 -0.13 0.00 -1.26 -5.07 105.19 101.68 1q7i n GLY 50 Ca 0.00 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.72 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 -5.59 2.73 0.00 1.61 1.01 -1.26 -5.07 116.67 110.09 1q7i s ASP 51 Ca 0.00 -0.49 0.00 0.00 0.71 0.00 0.00 52.55 52.77 1q7i s ASP 51 Cb 0.00 -1.25 0.00 0.00 1.01 0.00 0.00 42.92 42.68 1q7i s ASP 51 CO 0.00 0.11 0.00 -2.67 0.21 0.00 0.00 175.17 172.82 1q7i n TRP 52 N 3.68 0.00 -3.33 4.23 -0.00 -1.26 -5.08 117.44 115.68 1q7i n TRP 52 Ca -0.20 0.00 -0.44 0.00 -0.00 0.00 0.00 57.50 56.86 1q7i n TRP 52 Cb 0.52 0.00 -0.08 0.00 -0.00 0.00 0.00 31.31 31.75 1q7i n TRP 52 CO 0.00 0.00 0.00 1.21 -0.00 0.00 0.00 177.69 178.90 1q7i s ASN 53 N -4.00 6.17 0.83 -0.67 2.47 -1.26 -5.05 114.94 113.44 1q7i s ASN 53 Ca 0.00 -0.94 -0.13 0.00 0.42 0.00 0.00 52.86 52.21 1q7i s ASN 53 Cb 0.00 -2.22 0.08 0.00 -1.45 0.00 0.00 41.25 37.67 1q7i s ASN 53 CO 0.00 -0.64 1.07 0.47 -3.72 0.00 0.00 177.10 174.28 1q7i n ASP 54 N 5.53 0.45 -4.60 -4.21 8.00 -1.26 -4.88 116.55 115.58 1q7i n ASP 54 Ca -0.09 0.53 -0.43 0.00 0.71 0.00 0.00 54.79 55.51 1q7i n ASP 54 Cb 0.46 -1.45 -0.02 0.00 -0.02 0.00 0.00 41.12 40.08 1q7i n ASP 54 CO 0.00 0.00 0.00 -1.81 -0.39 0.00 0.00 177.20 175.00 1q7i s ASP 55 N -2.15 6.63 0.09 -2.24 1.01 -1.10 -5.01 116.67 113.90 1q7i s ASP 55 Ca 0.70 0.49 0.02 0.00 0.71 0.00 0.00 52.55 54.47 1q7i s ASP 55 Cb -0.28 -2.55 -0.04 0.00 1.01 0.00 0.00 42.92 41.06 1q7i s ASP 55 CO 0.54 -1.26 0.15 -0.60 0.21 0.00 0.00 175.17 174.21 1q7i s ARG 56 N 4.46 3.10 0.26 8.23 6.06 -1.25 -0.86 118.95 138.95 1q7i s ARG 56 Ca 0.48 -0.63 0.06 0.00 -2.50 0.00 0.00 55.73 53.14 1q7i s ARG 56 Cb -0.07 -2.83 -0.03 0.00 0.06 0.00 0.00 34.95 32.07 1q7i s ARG 56 CO 0.32 0.56 0.31 0.00 -2.50 0.00 0.00 175.30 173.99 1q7i s THR 58 N -2.06 2.54 -0.51 0.00 -4.23 -1.26 -1.12 115.64 108.99 1q7i s THR 58 Ca 0.35 -0.58 0.24 0.00 -1.18 0.00 0.00 61.69 60.52 1q7i s THR 58 Cb -0.09 -2.96 0.25 0.00 1.34 0.00 0.00 72.50 71.04 1q7i s THR 58 CO 0.28 0.00 1.72 0.61 -0.54 0.00 0.00 174.62 176.69 1q7i n GLY 59 N -2.51 -1.33 0.07 3.99 0.00 -1.26 -2.57 105.19 101.59 1q7i n GLY 59 Ca 0.09 0.07 0.07 0.00 0.00 0.00 0.00 46.02 46.25 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 -2.24 1.56 -4.68 1.61 6.02 -1.26 -4.65 117.38 113.74 1q7i n GLN 60 Ca 0.03 -2.28 -0.33 0.00 -0.01 0.00 0.00 57.00 54.40 1q7i n GLN 60 Cb 0.25 -1.35 -0.13 0.00 1.02 0.00 0.00 30.24 30.04 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 -2.40 4.38 0.00 1.08 0.15 -1.06 -4.98 113.70 110.87 1q7i s SER 61 Ca 0.24 -0.16 0.09 0.00 0.70 0.00 0.00 55.95 56.82 1q7i s SER 61 Cb 0.21 -1.33 -0.05 0.00 -1.71 0.00 0.00 66.02 63.13 1q7i s SER 61 CO 0.02 0.27 0.48 0.00 1.20 0.00 0.00 173.24 175.21 1q7i n ALA 62 N 2.83 2.99 -3.60 5.45 0.00 -1.26 -4.16 120.51 122.75 1q7i n ALA 62 Ca -0.18 -0.33 -0.02 0.00 0.00 0.00 0.00 53.44 52.91 1q7i n ALA 62 Cb 0.53 -0.32 -0.00 0.00 0.00 0.00 0.00 19.45 19.65 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 -0.78 1.26 -3.68 0.00 8.00 -1.26 -1.16 116.55 118.92 1q7i n ASP 63 Ca 0.03 -1.16 -0.11 0.00 0.71 0.00 0.00 54.79 54.26 1q7i n ASP 63 Cb 0.16 0.00 -0.12 0.00 -0.02 0.00 0.00 41.12 41.15 1q7i n ASP 63 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1q7i s PRO 65 N 1.96 4.49 0.47 0.00 0.04 -1.26 -5.03 135.00 135.66 1q7i s PRO 65 Ca -0.05 1.26 -0.23 0.00 0.04 0.00 0.00 61.00 62.02 1q7i s PRO 65 Cb -0.11 -3.48 -0.07 0.00 0.04 0.00 0.00 34.50 30.88 1q7i s PRO 65 CO -0.11 -0.10 1.20 1.03 0.04 0.00 0.00 177.00 179.07 1q7i s ARG 66 N 1.24 3.69 0.00 4.56 0.52 -1.26 -4.89 118.95 122.81 1q7i s ARG 66 Ca 0.47 1.88 0.00 0.00 -0.52 0.00 0.00 55.73 57.56 1q7i s ARG 66 Cb -0.19 -2.42 0.00 0.00 0.52 0.00 0.00 34.95 32.85 1q7i s ARG 66 CO 0.23 -0.63 0.00 0.98 0.02 0.00 0.00 175.30 175.89 1q7i n TYR 67 N -0.49 0.00 0.37 -0.53 9.36 -1.26 -5.20 117.16 119.41 1q7i n TYR 67 Ca 0.07 0.00 0.04 0.00 3.32 0.00 0.00 57.90 61.34 1q7i n TYR 67 Cb 0.47 0.00 0.04 0.00 -0.63 0.00 0.00 39.34 39.22 1q7i n TYR 67 CO 0.00 0.00 0.00 -2.39 0.22 0.00 0.00 176.86 174.69