#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1u7m n ASP 2 N 0.00 5.06 -2.68 7.83 2.03 -1.26 -4.45 116.55 123.07 1u7m n ASP 2 Ca 0.00 -2.56 -0.08 0.00 0.52 0.00 0.00 54.79 52.68 1u7m n ASP 2 Cb 0.00 -1.31 0.07 0.00 -0.72 0.00 0.00 41.12 39.16 1u7m n ASP 2 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 1u7m n TYR 3 N 5.18 -0.49 0.00 -0.67 4.19 -1.26 -4.93 117.16 119.18 1u7m n TYR 3 Ca 0.55 -2.36 0.00 0.00 3.31 0.00 0.00 57.90 59.40 1u7m n TYR 3 Cb 0.27 0.54 0.00 0.00 0.49 0.00 0.00 39.34 40.63 1u7m n TYR 3 CO 0.00 0.00 0.00 1.47 0.91 0.00 0.00 176.86 179.24 1u7m n LEU 4 N -0.36 0.04 -0.09 2.98 -0.00 -1.26 -4.69 117.00 113.61 1u7m n LEU 4 Ca 0.03 0.00 -0.02 0.00 -0.00 0.00 0.00 56.01 56.02 1u7m n LEU 4 Cb 0.83 0.00 0.22 0.00 -0.00 0.00 0.00 43.42 44.47 1u7m n LEU 4 CO 0.10 -0.31 0.95 -0.09 -0.00 0.00 0.00 177.39 178.04 1u7m h ARG 5 N 0.00 0.74 -0.90 1.47 2.43 -1.93 -1.51 114.38 114.69 1u7m h ARG 5 Ca 0.00 -0.16 0.08 0.00 -0.81 0.00 0.00 59.98 59.10 1u7m h ARG 5 Cb 0.04 -0.11 -0.07 0.00 -0.42 0.00 0.00 29.97 29.41 1u7m h ARG 5 CO 0.00 0.70 0.55 1.49 -1.51 0.00 0.00 179.97 181.20 1u7m h GLU 6 N 0.71 0.92 0.12 0.20 4.57 -1.91 -2.76 114.58 116.42 1u7m h GLU 6 Ca 0.15 -0.06 -0.01 0.00 -1.18 0.00 0.00 59.36 58.27 1u7m h GLU 6 Cb 0.32 -0.21 0.00 0.00 -0.16 0.00 0.00 28.75 28.70 1u7m h GLU 6 CO 0.00 0.61 -0.06 -0.07 -1.18 0.00 0.00 179.01 178.32 1u7m h LEU 7 N 0.95 -0.13 -0.98 1.64 3.38 -1.66 -3.26 115.31 115.25 1u7m h LEU 7 Ca 0.41 -0.43 0.29 0.00 0.09 0.00 0.00 57.88 58.24 1u7m h LEU 7 Cb 0.29 0.03 -0.14 0.00 0.09 0.00 0.00 40.66 40.94 1u7m h LEU 7 CO -0.21 0.46 0.53 0.22 0.09 0.00 0.00 178.44 179.52 1u7m h TYR 8 N -0.82 0.87 0.02 1.13 5.03 -1.29 0.10 116.97 122.01 1u7m h TYR 8 Ca -0.02 0.04 -0.00 0.00 2.58 0.00 0.00 58.73 61.33 1u7m h TYR 8 Cb 0.56 -0.22 0.00 0.00 1.55 0.00 0.00 36.73 38.62 1u7m h TYR 8 CO 0.11 -0.12 -0.01 -0.22 -1.32 0.00 0.00 178.16 176.59 1u7m h LYS 9 N 0.37 -0.03 -0.05 1.82 3.64 -1.57 0.16 116.57 120.91 1u7m h LYS 9 Ca 0.68 0.00 -0.06 0.00 -1.27 0.00 0.00 60.65 60.01 1u7m h LYS 9 Cb 1.48 0.01 -0.01 0.00 -0.41 0.00 0.00 32.23 33.29 1u7m h LYS 9 CO -0.58 0.47 -0.24 -0.07 -2.27 0.00 0.00 179.45 176.75 1u7m h LEU 10 N -0.55 0.08 -0.98 5.20 4.07 -1.52 -0.51 115.31 121.10 1u7m h LEU 10 Ca -0.00 -0.02 0.05 0.00 0.08 0.00 0.00 57.88 57.99 1u7m h LEU 10 Cb 0.51 -0.02 -0.06 0.00 1.08 0.00 0.00 40.66 42.17 1u7m h LEU 10 CO 0.01 0.33 0.63 -0.33 -1.08 0.00 0.00 178.44 178.00 1u7m h GLU 11 N 0.08 1.15 0.00 1.13 4.39 -0.70 -2.65 114.58 117.98 1u7m h GLU 11 Ca 0.01 -0.07 -0.06 0.00 0.34 0.00 0.00 59.36 59.58 1u7m h GLU 11 Cb 0.48 -0.26 -0.01 0.00 -0.10 0.00 0.00 28.75 28.86 1u7m h GLU 11 CO 0.03 0.76 -0.29 1.96 -1.16 0.00 0.00 179.01 180.31 1u7m h GLN 12 N 1.18 0.00 -0.27 2.33 4.20 0.21 -3.18 115.11 119.57 1u7m h GLN 12 Ca 0.41 0.00 -0.05 0.00 0.06 0.00 0.00 58.65 59.07 1u7m h GLN 12 Cb 0.09 0.00 -0.02 0.00 0.30 0.00 0.00 27.48 27.86 1u7m h GLN 12 CO -0.15 0.29 -0.05 1.96 -0.67 0.00 0.00 178.83 180.20 1u7m h GLN 13 N 0.00 0.43 -0.42 1.46 1.08 -0.75 0.17 115.11 117.08 1u7m h GLN 13 Ca -0.00 -0.10 -0.08 0.00 -1.45 0.00 0.00 58.65 57.02 1u7m h GLN 13 Cb 1.01 -0.06 -0.01 0.00 -0.05 0.00 0.00 27.48 28.37 1u7m h GLN 13 CO 0.04 0.50 -0.06 0.00 -0.95 0.00 0.00 178.83 178.36 1u7m h ALA 14 N 1.54 0.57 -0.78 3.87 0.00 -1.58 -2.57 119.26 120.32 1u7m h ALA 14 Ca 0.09 -0.30 -0.02 0.00 0.00 0.00 0.00 54.91 54.68 1u7m h ALA 14 Cb 0.36 -0.15 -0.04 0.00 0.00 0.00 0.00 17.79 17.96 1u7m h ALA 14 CO 0.02 0.41 0.41 0.52 0.00 0.00 0.00 179.25 180.60 1u7m h MET 15 N 0.61 1.10 -0.51 0.00 2.86 -1.22 0.23 114.93 117.98 1u7m h MET 15 Ca 0.11 -0.14 -0.10 0.00 -2.06 0.00 0.00 59.70 57.51 1u7m h MET 15 Cb 0.57 -0.21 -0.02 0.00 0.06 0.00 0.00 31.60 32.01 1u7m h MET 15 CO 0.03 0.83 -0.08 0.87 1.06 0.00 0.00 176.91 179.62 1u7m h LYS 16 N 1.08 0.93 -0.65 1.72 6.56 -0.78 -1.55 116.57 123.88 1u7m h LYS 16 Ca 0.27 -0.32 -0.00 0.00 -1.06 0.00 0.00 60.65 59.54 1u7m h LYS 16 Cb 0.07 -0.07 -0.03 0.00 -0.57 0.00 0.00 32.23 31.62 1u7m h LYS 16 CO -0.04 0.97 0.40 -0.07 -2.06 0.00 0.00 179.45 178.65 1u7m h LEU 17 N 0.84 0.78 -1.40 2.94 3.38 -1.07 -3.18 115.31 117.60 1u7m h LEU 17 Ca 0.14 -0.05 -0.05 0.00 0.09 0.00 0.00 57.88 58.01 1u7m h LEU 17 Cb 0.61 -0.20 -0.01 0.00 0.09 0.00 0.00 40.66 41.15 1u7m h LEU 17 CO 0.04 0.60 -0.08 1.88 0.09 0.00 0.00 178.44 180.97 1u7m h TYR 18 N 0.89 0.31 -0.57 1.13 0.05 -0.07 0.37 116.97 119.08 1u7m h TYR 18 Ca 0.24 -0.03 0.04 0.00 0.05 0.00 0.00 58.73 59.02 1u7m h TYR 18 Cb -0.04 -0.09 -0.04 0.00 1.01 0.00 0.00 36.73 37.57 1u7m h TYR 18 CO -0.02 0.39 0.33 0.00 -1.05 0.00 0.00 178.16 177.80 1u7m h ARG 19 N 0.29 0.62 0.08 4.88 3.08 -1.27 -2.18 114.38 119.87 1u7m h ARG 19 Ca 0.06 -0.04 -0.27 0.00 0.07 0.00 0.00 59.98 59.81 1u7m h ARG 19 Cb 0.33 -0.14 0.01 0.00 0.08 0.00 0.00 29.97 30.26 1u7m h ARG 19 CO 0.02 0.41 -1.13 1.49 -1.07 0.00 0.00 179.97 179.68 1u7m h GLU 20 N 0.64 0.46 -0.64 0.04 4.57 -1.45 -3.15 114.58 115.05 1u7m h GLU 20 Ca 0.24 -0.60 0.10 0.00 -1.18 0.00 0.00 59.36 57.92 1u7m h GLU 20 Cb 0.07 0.20 -0.04 0.00 -0.16 0.00 0.00 28.75 28.82 1u7m h GLU 20 CO -0.13 1.24 0.43 0.00 -1.18 0.00 0.00 179.01 179.37 1u7m h ALA 21 N 0.53 2.00 -0.49 2.92 0.00 -0.91 0.05 119.26 123.36 1u7m h ALA 21 Ca -0.14 -0.01 -0.03 0.00 0.00 0.00 0.00 54.91 54.74 1u7m h ALA 21 Cb 1.81 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 19.48 1u7m h ALA 21 CO 0.20 -0.14 0.18 1.03 0.00 0.00 0.00 179.25 180.52 1u7m h SER 22 N 0.44 0.64 0.19 0.00 0.87 -1.35 -0.07 113.55 114.29 1u7m h SER 22 Ca 0.30 -0.08 -0.27 0.00 -1.23 0.00 0.00 61.79 60.51 1u7m h SER 22 Cb 0.57 -0.17 0.02 0.00 -0.44 0.00 0.00 62.40 62.38 1u7m h SER 22 CO -0.09 0.59 -1.11 -0.08 -0.53 0.00 0.00 176.83 175.62 1u7m h GLU 23 N 0.70 0.56 -0.46 2.24 4.81 -1.16 -0.98 114.58 120.29 1u7m h GLU 23 Ca 0.17 -0.68 -0.01 0.00 -0.13 0.00 0.00 59.36 58.71 1u7m h GLU 23 Cb 0.16 0.21 -0.02 0.00 0.63 0.00 0.00 28.75 29.73 1u7m h GLU 23 CO -0.01 1.28 0.25 0.87 -0.73 0.00 0.00 179.01 180.66 1u7m h LYS 24 N 0.28 0.62 0.20 1.92 1.79 -0.94 -3.19 116.57 117.25 1u7m h LYS 24 Ca -0.14 -0.06 -0.01 0.00 -2.18 0.00 0.00 60.65 58.26 1u7m h LYS 24 Cb 1.77 -0.13 0.00 0.00 -1.58 0.00 0.00 32.23 32.29 1u7m h LYS 24 CO 0.21 0.46 -0.09 0.00 -1.08 0.00 0.00 179.45 178.95 1u7m h ALA 25 N 1.64 -0.63 -4.15 3.86 0.00 -1.00 -3.47 119.26 115.50 1u7m h ALA 25 Ca 0.16 -0.06 -0.03 0.00 0.00 0.00 0.00 54.91 54.98 1u7m h ALA 25 Cb 0.02 0.10 -0.00 0.00 0.00 0.00 0.00 17.79 17.91 1u7m h ALA 25 CO -0.03 -0.61 -0.04 -2.13 0.00 0.00 0.00 179.25 176.45 1u7m n ARG 26 N -3.14 -2.46 -4.62 0.00 3.00 -0.38 -4.95 116.66 104.12 1u7m n ARG 26 Ca -0.03 0.08 -0.24 0.00 -0.00 0.00 0.00 57.85 57.66 1u7m n ARG 26 Cb 0.10 -4.48 -0.16 0.00 0.00 0.00 0.00 32.46 27.92 1u7m n ARG 26 CO 0.00 0.00 0.00 1.21 0.00 0.00 0.00 177.63 178.84 1u7m s ASN 27 N -1.80 1.78 0.54 6.15 3.84 -1.26 -5.07 114.94 119.13 1u7m s ASN 27 Ca 0.00 -0.29 0.33 0.00 0.21 0.00 0.00 52.86 53.11 1u7m s ASN 27 Cb 0.00 -0.69 1.34 0.00 -0.55 0.00 0.00 41.25 41.35 1u7m s ASN 27 CO 0.00 0.07 1.97 1.55 -2.79 0.00 0.00 177.10 177.90 1u7m h PRO 28 N 6.70 0.00 0.40 0.43 0.13 -1.96 -1.07 132.00 136.63 1u7m h PRO 28 Ca -0.32 0.00 -0.02 0.00 -0.87 0.00 0.00 66.00 64.80 1u7m h PRO 28 Cb 1.18 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.32 1u7m h PRO 28 CO 0.48 0.00 -0.19 1.49 -0.23 0.00 0.00 178.00 179.55 1u7m h GLU 29 N 0.00 -0.51 -0.76 0.86 4.57 -1.98 -3.02 114.58 113.73 1u7m h GLU 29 Ca 0.00 0.03 -0.02 0.00 -1.18 0.00 0.00 59.36 58.19 1u7m h GLU 29 Cb 0.51 0.12 -0.04 0.00 -0.16 0.00 0.00 28.75 29.18 1u7m h GLU 29 CO 0.00 -0.20 0.38 -0.22 -1.18 0.00 0.00 179.01 177.79 1u7m h LYS 30 N -0.88 1.08 0.00 1.92 3.11 -1.95 -2.44 116.57 117.41 1u7m h LYS 30 Ca -0.05 -0.14 0.00 0.00 -2.81 0.00 0.00 60.65 57.64 1u7m h LYS 30 Cb 0.55 -0.20 0.00 0.00 -1.00 0.00 0.00 32.23 31.57 1u7m h LYS 30 CO 0.09 0.82 0.00 1.17 -2.81 0.00 0.00 179.45 178.72 1u7m n LYS 31 N -4.33 0.12 -0.07 1.90 4.81 -0.42 -0.95 118.16 119.23 1u7m n LYS 31 Ca 0.07 0.18 0.04 0.00 -0.87 0.00 0.00 58.31 57.74 1u7m n LYS 31 Cb 0.13 -1.50 0.08 0.00 0.02 0.00 0.00 35.03 33.76 1u7m n LYS 31 CO 0.00 0.00 0.00 0.43 1.17 0.00 0.00 177.40 179.00 1u7m n SER 32 N -1.23 2.35 -0.03 3.14 7.64 -0.92 -4.24 113.62 120.33 1u7m n SER 32 Ca 0.04 -2.40 -0.07 0.00 1.01 0.00 0.00 58.87 57.44 1u7m n SER 32 Cb 0.05 -0.19 -0.02 0.00 -1.01 0.00 0.00 64.21 63.03 1u7m n SER 32 CO 0.00 0.00 0.00 0.52 -3.01 0.00 0.00 175.04 172.55 1u7m n VAL 33 N -0.66 0.41 0.26 0.44 0.31 -0.12 -4.54 118.33 114.43 1u7m n VAL 33 Ca 0.08 -0.09 0.15 0.00 -0.01 0.00 0.00 64.34 64.47 1u7m n VAL 33 Cb 0.43 -1.60 0.66 0.00 -0.91 0.00 0.00 33.84 32.42 1u7m n VAL 33 CO 0.00 0.00 0.00 0.17 -1.32 0.00 0.00 176.83 175.68 1u7m h LEU 34 N -0.25 0.00 -1.09 7.52 -0.00 -1.51 -2.86 115.31 117.12 1u7m h LEU 34 Ca -0.18 0.00 -0.08 0.00 -0.00 0.00 0.00 57.88 57.63 1u7m h LEU 34 Cb 1.13 0.00 -0.01 0.00 -0.00 0.00 0.00 40.66 41.78 1u7m h LEU 34 CO -0.11 0.09 -0.19 -0.61 -0.00 0.00 0.00 178.44 177.62 1u7m h GLN 35 N 0.00 0.42 -0.01 0.17 -0.00 -1.77 -0.42 115.11 113.50 1u7m h GLN 35 Ca -0.00 -0.13 -0.21 0.00 -0.00 0.00 0.00 58.65 58.30 1u7m h GLN 35 Cb 0.53 -0.04 -0.00 0.00 0.00 0.00 0.00 27.48 27.97 1u7m h GLN 35 CO 0.01 0.60 -0.90 -0.22 0.00 0.00 0.00 178.83 178.32 1u7m h LYS 36 N 0.38 0.37 0.14 1.69 3.64 -1.74 -1.09 116.57 119.96 1u7m h LYS 36 Ca 0.07 -0.39 -0.01 0.00 -1.27 0.00 0.00 60.65 59.05 1u7m h LYS 36 Cb 0.55 0.11 0.00 0.00 -0.41 0.00 0.00 32.23 32.48 1u7m h LYS 36 CO 0.04 1.06 -0.07 0.82 -2.27 0.00 0.00 179.45 179.03 1u7m h ILE 37 N 0.22 0.90 -0.93 2.00 2.04 -1.56 -1.99 117.51 118.19 1u7m h ILE 37 Ca -0.07 -0.14 0.16 0.00 1.00 0.00 0.00 64.86 65.82 1u7m h ILE 37 Cb 1.53 0.99 -0.10 0.00 -0.74 0.00 0.00 36.82 38.49 1u7m h ILE 37 CO 0.15 0.03 0.52 -0.07 0.00 0.00 0.00 178.15 178.79 1u7m h LEU 38 N -0.25 0.66 -0.38 1.44 3.38 -0.83 0.18 115.31 119.52 1u7m h LEU 38 Ca -0.02 0.09 -0.12 0.00 0.09 0.00 0.00 57.88 57.92 1u7m h LEU 38 Cb 0.19 -0.02 -0.01 0.00 0.09 0.00 0.00 40.66 40.91 1u7m h LEU 38 CO 0.03 0.27 -0.24 -0.08 0.09 0.00 0.00 178.44 178.50 1u7m h GLU 39 N 0.71 0.83 -0.87 1.13 4.81 -1.16 -1.35 114.58 118.69 1u7m h GLU 39 Ca 0.51 -0.39 -0.02 0.00 -0.13 0.00 0.00 59.36 59.34 1u7m h GLU 39 Cb 0.74 -0.01 -0.04 0.00 0.63 0.00 0.00 28.75 30.07 1u7m h GLU 39 CO -0.36 1.03 0.47 -0.44 -0.73 0.00 0.00 179.01 178.98 1u7m h ASP 40 N 0.63 1.08 0.57 1.04 5.19 -0.53 -2.26 116.42 122.14 1u7m h ASP 40 Ca 0.08 -0.10 -0.22 0.00 -0.62 0.00 0.00 57.03 56.17 1u7m h ASP 40 Cb 0.81 -0.28 -0.01 0.00 0.18 0.00 0.00 39.33 40.04 1u7m h ASP 40 CO 0.07 0.87 -0.99 -0.33 -3.12 0.00 0.00 179.24 175.74 1u7m h GLU 41 N 1.22 0.25 -0.68 3.56 4.39 -0.58 -2.45 114.58 120.28 1u7m h GLU 41 Ca 0.31 -0.31 0.00 0.00 0.34 0.00 0.00 59.36 59.70 1u7m h GLU 41 Cb 0.03 0.10 -0.03 0.00 -0.10 0.00 0.00 28.75 28.74 1u7m h GLU 41 CO -0.05 1.05 0.42 1.49 -1.16 0.00 0.00 179.01 180.77 1u7m h GLU 42 N 0.12 0.91 -0.69 2.33 4.81 -1.22 -2.19 114.58 118.65 1u7m h GLU 42 Ca -0.07 -0.07 0.00 0.00 -0.13 0.00 0.00 59.36 59.09 1u7m h GLU 42 Cb 1.65 -0.20 -0.03 0.00 0.63 0.00 0.00 28.75 30.80 1u7m h GLU 42 CO 0.16 0.62 0.44 -0.22 -0.73 0.00 0.00 179.01 179.28 1u7m h LYS 43 N 0.93 0.92 -0.53 1.92 1.63 -1.07 -1.91 116.57 118.46 1u7m h LYS 43 Ca 0.25 -0.07 -0.02 0.00 -0.85 0.00 0.00 60.65 59.96 1u7m h LYS 43 Cb -0.06 -0.20 -0.02 0.00 -0.60 0.00 0.00 32.23 31.34 1u7m h LYS 43 CO -0.05 0.63 0.25 0.45 -3.45 0.00 0.00 179.45 177.28 1u7m h HIS 44 N 0.94 0.78 -0.94 1.91 3.86 -1.09 -2.73 115.15 117.88 1u7m h HIS 44 Ca 0.25 -0.04 0.03 0.00 -1.16 0.00 0.00 60.37 59.45 1u7m h HIS 44 Cb -0.08 -0.24 -0.05 0.00 1.06 0.00 0.00 27.41 28.10 1u7m h HIS 44 CO -0.02 0.62 0.62 0.82 0.86 0.00 0.00 177.93 180.82 1u7m h ILE 45 N 0.72 1.18 -0.69 2.45 5.03 -1.17 0.12 117.51 125.14 1u7m h ILE 45 Ca 0.18 -0.41 0.04 0.00 -0.12 0.00 0.00 64.86 64.54 1u7m h ILE 45 Cb 0.14 -0.14 -0.05 0.00 -3.03 0.00 0.00 36.82 33.75 1u7m h ILE 45 CO -0.02 0.22 0.43 -0.33 -0.68 0.00 0.00 178.15 177.77 1u7m h GLU 46 N 1.21 0.80 -0.20 2.37 4.39 -1.06 -0.79 114.58 121.30 1u7m h GLU 46 Ca 0.37 -0.05 -0.16 0.00 0.34 0.00 0.00 59.36 59.86 1u7m h GLU 46 Cb -0.03 -0.18 0.00 0.00 -0.10 0.00 0.00 28.75 28.44 1u7m h GLU 46 CO -0.11 0.53 -0.50 -1.49 -1.16 0.00 0.00 179.01 176.28 1u7m h TRP 47 N 0.83 0.88 -0.74 4.33 6.55 -1.17 -1.57 115.95 125.05 1u7m h TRP 47 Ca 0.28 -0.34 0.07 0.00 0.95 0.00 0.00 58.89 59.86 1u7m h TRP 47 Cb 0.05 -0.16 -0.06 0.00 -0.86 0.00 0.00 29.16 28.13 1u7m h TRP 47 CO -0.05 1.12 0.42 -0.07 -1.05 0.00 0.00 178.44 178.82 1u7m h LEU 48 N 0.38 0.62 -0.53 -4.49 3.38 -0.86 -0.12 115.31 113.69 1u7m h LEU 48 Ca -0.01 0.04 -0.10 0.00 0.09 0.00 0.00 57.88 57.90 1u7m h LEU 48 Cb 1.11 -0.09 -0.02 0.00 0.09 0.00 0.00 40.66 41.76 1u7m h LEU 48 CO 0.11 0.38 -0.05 -0.08 0.09 0.00 0.00 178.44 178.89 1u7m h GLU 49 N 0.75 0.97 -0.14 1.13 4.22 -1.10 -2.07 114.58 118.34 1u7m h GLU 49 Ca 0.34 -0.34 -0.02 0.00 0.08 0.00 0.00 59.36 59.43 1u7m h GLU 49 Cb 0.25 -0.07 -0.01 0.00 0.50 0.00 0.00 28.75 29.42 1u7m h GLU 49 CO -0.21 1.00 0.01 1.15 -2.18 0.00 0.00 179.01 178.79 1u7m h THR 50 N 0.84 1.08 0.00 0.32 2.02 -0.66 -2.63 112.91 113.88 1u7m h THR 50 Ca 0.14 -0.31 0.00 0.00 0.77 0.00 0.00 66.41 67.01 1u7m h THR 50 Cb 0.60 0.97 0.00 0.00 -1.74 0.00 0.00 68.15 67.98 1u7m h THR 50 CO 0.04 0.11 -0.34 0.40 0.37 0.00 0.00 175.52 176.09 1u7m h ILE 51 N 0.19 0.00 -3.87 3.11 5.03 -0.85 -3.46 117.51 117.65 1u7m h ILE 51 Ca 0.05 -0.94 -0.52 0.00 -0.12 0.00 0.00 64.86 63.33 1u7m h ILE 51 Cb 0.11 1.76 0.06 0.00 -3.03 0.00 0.00 36.82 35.72 1u7m h ILE 51 CO 0.00 0.00 0.61 0.21 -0.68 0.00 0.00 178.15 178.29 1u7m s ASN 52 N -5.73 6.82 0.00 1.72 3.84 -0.80 -5.08 114.94 115.71 1u7m s ASN 52 Ca 0.05 2.62 0.00 0.00 0.21 0.00 0.00 52.86 55.74 1u7m s ASN 52 Cb 0.07 -2.64 0.00 0.00 -0.55 0.00 0.00 41.25 38.13 1u7m s ASN 52 CO 0.71 -0.50 0.00 0.61 -2.79 0.00 0.00 177.10 175.13