#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 1.13 -0.80 7.83 9.92 -1.26 -2.59 116.55 130.78 1u7m n ASP 2 Ca 0.00 0.43 -0.09 0.00 -0.53 0.00 0.00 54.79 54.60 1u7m n ASP 2 Cb 0.00 -1.04 -0.04 0.00 -0.64 0.00 0.00 41.12 39.40 1u7m n ASP 2 CO 0.00 0.00 0.00 -1.22 0.13 0.00 0.00 177.20 176.11 1u7m n TYR 3 N 9.27 -0.09 -0.28 1.24 4.01 -1.26 -4.89 117.16 125.16 1u7m n TYR 3 Ca 0.52 0.00 0.04 0.00 -0.16 0.00 0.00 57.90 58.31 1u7m n TYR 3 Cb 0.08 -2.46 0.18 0.00 -0.31 0.00 0.00 39.34 36.84 1u7m n TYR 3 CO 0.00 0.00 0.00 1.37 -0.46 0.00 0.00 176.86 177.77 1u7m h LEU 4 N 0.00 0.57 -0.87 7.72 8.10 -1.91 0.94 115.31 129.86 1u7m h LEU 4 Ca -0.19 0.07 -0.10 0.00 0.11 0.00 0.00 57.88 57.77 1u7m h LEU 4 Cb 1.00 -0.03 -0.02 0.00 -0.44 0.00 0.00 40.66 41.17 1u7m h LEU 4 CO 0.28 0.29 -0.19 0.03 -4.11 0.00 0.00 178.44 174.74 1u7m h ARG 5 N 0.68 0.62 -0.58 0.17 3.08 -1.90 -1.98 114.38 114.48 1u7m h ARG 5 Ca 0.41 -0.22 -0.02 0.00 0.07 0.00 0.00 59.98 60.22 1u7m h ARG 5 Cb 0.48 -0.04 -0.03 0.00 0.08 0.00 0.00 29.97 30.46 1u7m h ARG 5 CO -0.30 0.78 0.26 1.49 -1.07 0.00 0.00 179.97 181.13 1u7m h GLU 6 N 0.56 0.82 0.06 0.04 4.57 -1.23 -2.60 114.58 116.80 1u7m h GLU 6 Ca 0.09 -0.11 -0.00 0.00 -1.18 0.00 0.00 59.36 58.15 1u7m h GLU 6 Cb 0.64 -0.15 0.00 0.00 -0.16 0.00 0.00 28.75 29.07 1u7m h GLU 6 CO 0.05 0.65 -0.03 -0.07 -1.18 0.00 0.00 179.01 178.43 1u7m h LEU 7 N 0.82 -0.07 -0.90 1.64 3.38 -1.13 -3.36 115.31 115.69 1u7m h LEU 7 Ca 0.20 -0.55 0.13 0.00 0.09 0.00 0.00 57.88 57.75 1u7m h LEU 7 Cb 0.11 0.02 -0.09 0.00 0.09 0.00 0.00 40.66 40.79 1u7m h LEU 7 CO -0.02 0.56 0.52 0.22 0.09 0.00 0.00 178.44 179.81 1u7m h TYR 8 N -0.75 0.94 -0.02 1.13 5.03 -1.30 -2.07 116.97 119.93 1u7m h TYR 8 Ca -0.01 0.03 -0.00 0.00 2.58 0.00 0.00 58.73 61.33 1u7m h TYR 8 Cb 0.61 -0.28 -0.00 0.00 1.55 0.00 0.00 36.73 38.61 1u7m h TYR 8 CO 0.13 0.32 0.00 -0.22 -1.32 0.00 0.00 178.16 177.08 1u7m h LYS 9 N 0.80 0.03 -0.89 1.82 3.64 -1.62 0.74 116.57 121.10 1u7m h LYS 9 Ca 0.46 -0.01 -0.01 0.00 -1.27 0.00 0.00 60.65 59.82 1u7m h LYS 9 Cb 0.53 -0.00 -0.04 0.00 -0.41 0.00 0.00 32.23 32.31 1u7m h LYS 9 CO -0.30 0.29 0.51 -0.07 -2.27 0.00 0.00 179.45 177.61 1u7m h LEU 10 N -0.24 1.09 -1.39 5.20 3.38 -1.69 0.04 115.31 121.70 1u7m h LEU 10 Ca 0.01 -0.08 0.10 0.00 0.09 0.00 0.00 57.88 58.00 1u7m h LEU 10 Cb 0.28 -0.28 -0.05 0.00 0.09 0.00 0.00 40.66 40.70 1u7m h LEU 10 CO 0.00 0.86 0.51 -0.33 0.09 0.00 0.00 178.44 179.57 1u7m h GLU 11 N 1.24 0.65 0.00 1.13 4.39 -1.11 -2.78 114.58 118.10 1u7m h GLU 11 Ca 0.32 -0.04 -0.08 0.00 0.34 0.00 0.00 59.36 59.90 1u7m h GLU 11 Cb -0.01 -0.15 -0.01 0.00 -0.10 0.00 0.00 28.75 28.48 1u7m h GLU 11 CO -0.05 0.43 -1.17 1.96 -1.16 0.00 0.00 179.01 179.02 1u7m h GLN 12 N 0.67 0.00 -0.35 2.33 4.20 -0.09 -3.26 115.11 118.61 1u7m h GLN 12 Ca 0.37 0.00 -0.06 0.00 0.06 0.00 0.00 58.65 59.02 1u7m h GLN 12 Cb 0.51 0.00 -0.02 0.00 0.30 0.00 0.00 27.48 28.27 1u7m h GLN 12 CO -0.14 0.14 -0.03 1.96 -0.67 0.00 0.00 178.83 180.10 1u7m h GLN 13 N 0.00 0.55 -0.47 1.46 4.20 -0.79 0.20 115.11 120.26 1u7m h GLN 13 Ca -0.08 -0.13 -0.14 0.00 0.06 0.00 0.00 58.65 58.37 1u7m h GLN 13 Cb 1.28 -0.07 -0.01 0.00 0.30 0.00 0.00 27.48 28.97 1u7m h GLN 13 CO 0.02 0.59 -0.25 0.00 -0.67 0.00 0.00 178.83 178.53 1u7m h ALA 14 N 1.46 0.66 -0.82 3.87 0.00 -1.62 -2.22 119.26 120.59 1u7m h ALA 14 Ca 0.11 -0.41 -0.04 0.00 0.00 0.00 0.00 54.91 54.58 1u7m h ALA 14 Cb 0.38 -0.16 -0.04 0.00 0.00 0.00 0.00 17.79 17.97 1u7m h ALA 14 CO 0.02 0.68 0.38 0.52 0.00 0.00 0.00 179.25 180.84 1u7m h MET 15 N 0.85 1.19 -0.40 0.00 2.86 -1.45 0.18 114.93 118.17 1u7m h MET 15 Ca 0.10 -0.19 -0.14 0.00 -2.06 0.00 0.00 59.70 57.42 1u7m h MET 15 Cb 0.84 -0.21 -0.01 0.00 0.06 0.00 0.00 31.60 32.28 1u7m h MET 15 CO 0.07 0.93 -0.30 -0.22 1.06 0.00 0.00 176.91 178.45 1u7m h LYS 16 N 1.18 0.86 -0.77 1.72 1.63 -0.97 -2.24 116.57 117.98 1u7m h LYS 16 Ca 0.28 -0.40 0.00 0.00 -0.85 0.00 0.00 60.65 59.68 1u7m h LYS 16 Cb 0.15 -0.01 -0.04 0.00 -0.60 0.00 0.00 32.23 31.72 1u7m h LYS 16 CO -0.03 1.04 0.48 -0.07 -3.45 0.00 0.00 179.45 177.42 1u7m h LEU 17 N 0.73 0.91 -1.56 5.20 3.38 -1.15 -3.08 115.31 119.74 1u7m h LEU 17 Ca 0.08 -0.05 -0.03 0.00 0.09 0.00 0.00 57.88 57.97 1u7m h LEU 17 Cb 0.86 -0.23 -0.01 0.00 0.09 0.00 0.00 40.66 41.37 1u7m h LEU 17 CO 0.08 0.69 -0.03 1.88 0.09 0.00 0.00 178.44 181.14 1u7m h TYR 18 N 1.05 0.24 -0.97 1.13 0.05 -0.32 -0.42 116.97 117.74 1u7m h TYR 18 Ca 0.28 -0.01 0.01 0.00 0.05 0.00 0.00 58.73 59.05 1u7m h TYR 18 Cb -0.07 -0.07 -0.05 0.00 1.01 0.00 0.00 36.73 37.55 1u7m h TYR 18 CO -0.01 0.28 0.63 0.00 -1.05 0.00 0.00 178.16 178.01 1u7m h ARG 19 N 0.24 1.28 0.18 4.88 3.08 -1.31 -0.18 114.38 122.55 1u7m h ARG 19 Ca 0.06 -0.08 -0.25 0.00 0.07 0.00 0.00 59.98 59.77 1u7m h ARG 19 Cb 0.22 -0.29 0.03 0.00 0.08 0.00 0.00 29.97 30.01 1u7m h ARG 19 CO 0.01 0.86 -1.08 1.49 -1.07 0.00 0.00 179.97 180.17 1u7m h GLU 20 N 1.32 0.41 -0.38 0.04 4.57 -1.49 -3.21 114.58 115.84 1u7m h GLU 20 Ca 0.35 -0.69 0.07 0.00 -1.18 0.00 0.00 59.36 57.91 1u7m h GLU 20 Cb -0.14 0.25 -0.02 0.00 -0.16 0.00 0.00 28.75 28.69 1u7m h GLU 20 CO -0.07 1.33 0.26 0.00 -1.18 0.00 0.00 179.01 179.34 1u7m h ALA 21 N 0.12 2.07 -0.29 2.92 0.00 -1.09 -1.45 119.26 121.55 1u7m h ALA 21 Ca -0.19 -0.01 -0.06 0.00 0.00 0.00 0.00 54.91 54.65 1u7m h ALA 21 Cb 1.85 -0.04 -0.02 0.00 0.00 0.00 0.00 17.79 19.58 1u7m h ALA 21 CO 0.20 -0.15 -0.09 1.03 0.00 0.00 0.00 179.25 180.24 1u7m h SER 22 N 0.22 0.46 -0.46 0.00 0.87 -1.04 0.11 113.55 113.71 1u7m h SER 22 Ca 0.17 -0.11 -0.13 0.00 -1.23 0.00 0.00 61.79 60.50 1u7m h SER 22 Cb 0.39 -0.12 -0.01 0.00 -0.44 0.00 0.00 62.40 62.22 1u7m h SER 22 CO -0.03 0.59 -0.21 -0.08 -0.53 0.00 0.00 176.83 176.57 1u7m h GLU 23 N 0.45 0.95 -0.18 2.24 4.57 -1.28 -3.27 114.58 118.06 1u7m h GLU 23 Ca 0.09 -0.41 -0.06 0.00 -1.18 0.00 0.00 59.36 57.80 1u7m h GLU 23 Cb 0.43 -0.03 -0.00 0.00 -0.16 0.00 0.00 28.75 28.99 1u7m h GLU 23 CO 0.02 1.08 -0.11 0.87 -1.18 0.00 0.00 179.01 179.69 1u7m h LYS 24 N 0.80 0.39 -1.09 1.92 1.57 -1.27 -3.28 116.57 115.61 1u7m h LYS 24 Ca 0.10 -0.18 0.00 0.00 -1.87 0.00 0.00 60.65 58.70 1u7m h LYS 24 Cb 0.78 -0.01 0.00 0.00 0.08 0.00 0.00 32.23 33.08 1u7m h LYS 24 CO 0.06 0.71 0.00 0.00 -0.57 0.00 0.00 179.45 179.65 1u7m n ALA 25 N -2.40 2.40 0.17 3.86 0.00 0.38 -4.59 120.51 120.34 1u7m n ALA 25 Ca -0.05 0.00 0.05 0.00 0.00 0.00 0.00 53.44 53.44 1u7m n ALA 25 Cb 0.33 -1.00 0.25 0.00 0.00 0.00 0.00 19.45 19.03 1u7m n ALA 25 CO 0.00 0.00 0.00 2.89 0.00 0.00 0.00 177.50 180.39 1u7m n ARG 26 N 0.53 0.05 -1.86 0.00 -4.01 -1.23 -2.97 116.66 107.16 1u7m n ARG 26 Ca 0.00 0.48 -0.42 0.00 -1.04 0.00 0.00 57.85 56.87 1u7m n ARG 26 Cb 0.44 -1.65 -0.03 0.00 -3.04 0.00 0.00 32.46 28.19 1u7m n ARG 26 CO 0.00 0.00 0.00 1.21 -3.04 0.00 0.00 177.63 175.80 1u7m s ASN 27 N -3.37 6.54 0.43 2.89 2.47 -1.26 -4.84 114.94 117.78 1u7m s ASN 27 Ca 0.01 2.62 0.12 0.00 0.42 0.00 0.00 52.86 56.04 1u7m s ASN 27 Cb 0.04 -2.58 0.92 0.00 -1.45 0.00 0.00 41.25 38.19 1u7m s ASN 27 CO 0.13 -0.90 1.97 1.55 -3.72 0.00 0.00 177.10 176.13 1u7m h PRO 28 N 7.74 0.11 -0.42 0.43 0.13 -1.98 -0.49 132.00 137.53 1u7m h PRO 28 Ca -0.43 -0.02 0.06 0.00 -0.87 0.00 0.00 66.00 64.73 1u7m h PRO 28 Cb 1.21 -0.02 -0.05 0.00 0.13 0.00 0.00 31.00 32.27 1u7m h PRO 28 CO 0.93 0.26 0.12 1.49 -0.23 0.00 0.00 178.00 180.57 1u7m h GLU 29 N 0.11 0.27 0.14 0.86 4.57 -1.92 -1.75 114.58 116.85 1u7m h GLU 29 Ca 0.02 -0.02 -0.30 0.00 -1.18 0.00 0.00 59.36 57.88 1u7m h GLU 29 Cb 0.31 -0.06 0.00 0.00 -0.16 0.00 0.00 28.75 28.84 1u7m h GLU 29 CO 0.02 0.18 -1.47 -0.22 -1.18 0.00 0.00 179.01 176.33 1u7m h LYS 30 N 0.27 0.29 -0.46 1.92 3.64 -1.70 -3.24 116.57 117.30 1u7m h LYS 30 Ca 0.20 -0.49 0.13 0.00 -1.27 0.00 0.00 60.65 59.22 1u7m h LYS 30 Cb 0.21 0.18 -0.02 0.00 -0.41 0.00 0.00 32.23 32.20 1u7m h LYS 30 CO -0.23 1.18 0.40 -0.22 -2.27 0.00 0.00 179.45 178.31 1u7m h LYS 31 N 0.08 0.00 -0.48 1.90 1.63 -1.00 0.09 116.57 118.78 1u7m h LYS 31 Ca -0.22 0.00 0.00 0.00 -0.85 0.00 0.00 60.65 59.58 1u7m h LYS 31 Cb 2.02 0.00 0.00 0.00 -0.60 0.00 0.00 32.23 33.65 1u7m h LYS 31 CO 0.18 0.00 0.00 0.43 -3.45 0.00 0.00 179.45 176.61 1u7m n SER 32 N -4.02 3.44 -0.07 4.20 7.64 -0.67 -3.68 113.62 120.47 1u7m n SER 32 Ca 0.08 -1.98 -0.14 0.00 1.01 0.00 0.00 58.87 57.85 1u7m n SER 32 Cb 0.59 -0.32 -0.06 0.00 -1.01 0.00 0.00 64.21 63.42 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 1.44 0.80 0.30 0.44 0.31 -0.10 -4.48 118.33 117.03 1u7m n VAL 33 Ca 0.21 -0.24 0.19 0.00 -0.01 0.00 0.00 64.34 64.49 1u7m n VAL 33 Cb 0.58 -1.45 0.88 0.00 -0.91 0.00 0.00 33.84 32.94 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 -0.34 0.00 -1.18 7.52 -0.00 -1.43 -2.71 115.31 117.17 1u7m h LEU 34 Ca -0.35 0.00 -0.04 0.00 -0.00 0.00 0.00 57.88 57.49 1u7m h LEU 34 Cb 1.38 0.00 -0.02 0.00 -0.00 0.00 0.00 40.66 42.01 1u7m h LEU 34 CO -0.16 0.01 0.15 1.56 -0.00 0.00 0.00 178.44 179.99 1u7m h GLN 35 N 0.00 0.72 -0.08 0.17 1.08 -1.79 -1.26 115.11 113.95 1u7m h GLN 35 Ca -0.00 -0.12 -0.18 0.00 -1.45 0.00 0.00 58.65 56.89 1u7m h GLN 35 Cb 0.33 -0.12 -0.00 0.00 -0.05 0.00 0.00 27.48 27.63 1u7m h GLN 35 CO 0.00 0.63 -0.73 0.87 -0.95 0.00 0.00 178.83 178.66 1u7m h LYS 36 N 0.71 0.41 0.02 1.46 1.79 -1.70 -1.62 116.57 117.63 1u7m h LYS 36 Ca 0.16 -0.34 -0.00 0.00 -2.18 0.00 0.00 60.65 58.30 1u7m h LYS 36 Cb 0.22 0.07 0.00 0.00 -1.58 0.00 0.00 32.23 30.94 1u7m h LYS 36 CO -0.01 0.97 -0.01 0.82 -1.08 0.00 0.00 179.45 180.14 1u7m h ILE 37 N 0.28 1.05 -0.98 1.86 2.04 -1.62 -2.39 117.51 117.75 1u7m h ILE 37 Ca -0.03 -0.21 0.17 0.00 1.00 0.00 0.00 64.86 65.79 1u7m h ILE 37 Cb 1.30 1.19 -0.10 0.00 -0.74 0.00 0.00 36.82 38.47 1u7m h ILE 37 CO 0.12 0.05 0.58 -0.07 0.00 0.00 0.00 178.15 178.84 1u7m h LEU 38 N -0.12 0.76 -0.28 1.44 3.38 -0.88 0.19 115.31 119.81 1u7m h LEU 38 Ca -0.00 0.09 -0.20 0.00 0.09 0.00 0.00 57.88 57.85 1u7m h LEU 38 Cb 0.11 -0.05 0.00 0.00 0.09 0.00 0.00 40.66 40.82 1u7m h LEU 38 CO 0.01 0.30 -0.70 -0.33 0.09 0.00 0.00 178.44 177.80 1u7m h GLU 39 N 0.77 0.70 -0.71 1.13 5.08 -1.28 -1.82 114.58 118.46 1u7m h GLU 39 Ca 0.55 -0.53 -0.05 0.00 -1.00 0.00 0.00 59.36 58.33 1u7m h GLU 39 Cb 0.79 0.10 -0.03 0.00 0.50 0.00 0.00 28.75 30.11 1u7m h GLU 39 CO -0.36 1.15 0.27 -0.44 -1.00 0.00 0.00 179.01 178.63 1u7m h ASP 40 N 0.50 1.00 0.22 1.42 3.32 -0.81 -2.60 116.42 119.46 1u7m h ASP 40 Ca -0.03 -0.18 -0.17 0.00 0.02 0.00 0.00 57.03 56.66 1u7m h ASP 40 Cb 1.30 -0.26 -0.01 0.00 0.22 0.00 0.00 39.33 40.59 1u7m h ASP 40 CO 0.14 0.91 -0.68 -0.33 -1.72 0.00 0.00 179.24 177.56 1u7m h GLU 41 N 1.02 0.42 -1.00 3.56 4.39 -0.64 -2.05 114.58 120.28 1u7m h GLU 41 Ca 0.23 -0.32 0.06 0.00 0.34 0.00 0.00 59.36 59.67 1u7m h GLU 41 Cb 0.24 0.06 -0.06 0.00 -0.10 0.00 0.00 28.75 28.88 1u7m h GLU 41 CO -0.02 0.94 0.65 1.49 -1.16 0.00 0.00 179.01 180.92 1u7m h GLU 42 N 0.30 1.17 -0.67 2.33 4.81 -1.28 0.03 114.58 121.27 1u7m h GLU 42 Ca -0.02 -0.07 -0.07 0.00 -0.13 0.00 0.00 59.36 59.07 1u7m h GLU 42 Cb 1.23 -0.26 -0.03 0.00 0.63 0.00 0.00 28.75 30.32 1u7m h GLU 42 CO 0.12 0.77 0.14 -0.22 -0.73 0.00 0.00 179.01 179.09 1u7m h LYS 43 N 1.21 1.09 -0.57 1.92 1.63 -1.09 -1.21 116.57 119.55 1u7m h LYS 43 Ca 0.42 -0.28 -0.02 0.00 -0.85 0.00 0.00 60.65 59.93 1u7m h LYS 43 Cb 0.11 -0.14 -0.03 0.00 -0.60 0.00 0.00 32.23 31.58 1u7m h LYS 43 CO -0.16 0.99 0.29 0.45 -3.45 0.00 0.00 179.45 177.58 1u7m h HIS 44 N 1.02 0.80 -0.76 1.91 3.86 -0.91 -2.58 115.15 118.49 1u7m h HIS 44 Ca 0.21 -0.03 -0.03 0.00 -1.16 0.00 0.00 60.37 59.35 1u7m h HIS 44 Cb 0.41 -0.25 -0.03 0.00 1.06 0.00 0.00 27.41 28.59 1u7m h HIS 44 CO 0.03 0.60 0.33 0.82 0.86 0.00 0.00 177.93 180.58 1u7m h ILE 45 N 0.77 1.24 -0.27 2.45 5.03 -0.71 0.11 117.51 126.13 1u7m h ILE 45 Ca 0.20 -0.73 0.04 0.00 -0.12 0.00 0.00 64.86 64.25 1u7m h ILE 45 Cb 0.08 0.31 -0.04 0.00 -3.03 0.00 0.00 36.82 34.15 1u7m h ILE 45 CO -0.03 0.30 0.05 -0.33 -0.68 0.00 0.00 178.15 177.46 1u7m h GLU 46 N 1.08 0.15 -0.35 2.37 4.39 -1.08 -2.06 114.58 119.08 1u7m h GLU 46 Ca 0.26 -0.01 -0.17 0.00 0.34 0.00 0.00 59.36 59.78 1u7m h GLU 46 Cb 0.15 -0.03 -0.00 0.00 -0.10 0.00 0.00 28.75 28.77 1u7m h GLU 46 CO -0.03 0.10 -0.46 -1.49 -1.16 0.00 0.00 179.01 175.97 1u7m h TRP 47 N 0.15 1.13 -0.24 4.33 6.55 -1.02 -0.72 115.95 126.13 1u7m h TRP 47 Ca 0.13 -0.37 0.05 0.00 0.95 0.00 0.00 58.89 59.65 1u7m h TRP 47 Cb 0.13 -0.23 -0.05 0.00 -0.86 0.00 0.00 29.16 28.16 1u7m h TRP 47 CO -0.17 1.20 -0.07 -0.07 -1.05 0.00 0.00 178.44 178.28 1u7m h LEU 48 N 0.73 -0.26 -0.93 -4.49 -0.00 -0.74 0.16 115.31 109.77 1u7m h LEU 48 Ca 0.04 0.08 -0.06 0.00 -0.00 0.00 0.00 57.88 57.93 1u7m h LEU 48 Cb 1.06 0.17 -0.02 0.00 -0.00 0.00 0.00 40.66 41.86 1u7m h LEU 48 CO 0.11 -0.10 0.08 -0.08 -0.00 0.00 0.00 178.44 178.45 1u7m h GLU 49 N -0.02 0.86 -0.06 1.13 4.81 -1.31 -2.36 114.58 117.64 1u7m h GLU 49 Ca 0.12 -0.21 -0.05 0.00 -0.13 0.00 0.00 59.36 59.09 1u7m h GLU 49 Cb 0.20 -0.11 -0.01 0.00 0.63 0.00 0.00 28.75 29.46 1u7m h GLU 49 CO -0.26 0.81 -0.21 1.15 -0.73 0.00 0.00 179.01 179.78 1u7m h THR 50 N 0.82 1.18 0.00 0.32 2.02 -0.44 -2.80 112.91 114.00 1u7m h THR 50 Ca 0.17 -0.83 -0.09 0.00 0.77 0.00 0.00 66.41 66.44 1u7m h THR 50 Cb 0.38 1.37 -0.01 0.00 -1.74 0.00 0.00 68.15 68.14 1u7m h THR 50 CO 0.01 0.24 -0.42 0.40 0.37 0.00 0.00 175.52 176.12 1u7m h ILE 51 N 0.08 0.78 -3.95 3.11 2.04 -0.33 -3.46 117.51 115.79 1u7m h ILE 51 Ca 0.01 -1.90 -0.48 0.00 1.00 0.00 0.00 64.86 63.49 1u7m h ILE 51 Cb 0.42 2.24 0.17 0.00 -0.74 0.00 0.00 36.82 38.91 1u7m h ILE 51 CO 0.03 0.41 0.19 0.21 0.00 0.00 0.00 178.15 178.99 1u7m s ASN 52 N -6.40 2.79 0.00 1.72 2.47 -0.92 -4.76 114.94 109.84 1u7m s ASN 52 Ca 0.03 1.71 0.00 0.00 0.42 0.00 0.00 52.86 55.02 1u7m s ASN 52 Cb 0.08 -2.34 0.00 0.00 -1.45 0.00 0.00 41.25 37.54 1u7m s ASN 52 CO 0.72 -3.10 0.00 0.61 -3.72 0.00 0.00 177.10 171.61