#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3hx7 s MET 1 N 0.00 4.52 0.57 5.56 1.75 -1.26 -5.05 119.30 125.40 3hx7 s MET 1 Ca 0.00 1.77 -0.10 0.00 -1.25 0.00 0.00 55.69 56.12 3hx7 s MET 1 Cb 0.00 -3.29 0.14 0.00 2.84 0.00 0.00 34.83 34.53 3hx7 s MET 1 CO 0.00 -0.06 0.46 -1.13 -0.65 0.00 0.00 175.02 173.64 3hx7 n SER 2 N 2.81 -1.89 -4.90 1.11 3.41 -1.26 -5.06 113.62 107.85 3hx7 n SER 2 Ca 0.05 -0.68 -0.23 0.00 -0.26 0.00 0.00 58.87 57.74 3hx7 n SER 2 Cb 0.46 -0.44 -0.03 0.00 -0.26 0.00 0.00 64.21 63.93 3hx7 n SER 2 CO 0.00 0.00 0.00 -0.55 -0.16 0.00 0.00 175.04 174.33 3hx7 s SER 3 N -2.73 5.96 0.31 4.04 0.15 -1.26 -5.04 113.70 115.14 3hx7 s SER 3 Ca 0.31 -0.04 0.01 0.00 0.70 0.00 0.00 55.95 56.93 3hx7 s SER 3 Cb -0.04 -1.66 0.52 0.00 -1.71 0.00 0.00 66.02 63.13 3hx7 s SER 3 CO 0.24 -0.02 1.88 0.06 1.20 0.00 0.00 173.24 176.60 3hx7 h GLN 4 N 1.60 0.72 0.00 5.44 3.07 -1.97 -3.05 115.11 120.92 3hx7 h GLN 4 Ca -0.50 -0.13 0.00 0.00 0.09 0.00 0.00 58.65 58.12 3hx7 h GLN 4 Cb 1.22 -0.12 0.00 0.00 0.08 0.00 0.00 27.48 28.66 3hx7 h GLN 4 CO 0.62 0.64 -0.65 -0.84 0.09 0.00 0.00 178.83 178.70 3hx7 h ILE 5 N 0.70 0.00 -2.50 1.86 3.07 -1.95 -3.47 117.51 115.22 3hx7 h ILE 5 Ca 0.16 -0.73 -0.57 0.00 1.55 0.00 0.00 64.86 65.27 3hx7 h ILE 5 Cb 0.23 1.36 0.07 0.00 -0.27 0.00 0.00 36.82 38.21 3hx7 h ILE 5 CO -0.01 0.00 0.79 -1.14 -1.05 0.00 0.00 178.15 176.74 3hx7 n ARG 6 N -2.44 2.25 -3.53 0.16 0.63 -1.16 -4.85 116.66 107.73 3hx7 n ARG 6 Ca 0.02 0.81 0.00 0.00 -0.92 0.00 0.00 57.85 57.76 3hx7 n ARG 6 Cb 0.49 -2.56 -0.03 0.00 0.45 0.00 0.00 32.46 30.80 3hx7 n ARG 6 CO 0.00 0.00 0.00 -1.14 -2.51 0.00 0.00 177.63 173.98 3hx7 s GLN 7 N 0.52 0.56 -1.22 -0.14 0.74 -1.26 -4.94 119.66 113.92 3hx7 s GLN 7 Ca 0.75 1.32 -0.05 0.00 0.05 0.00 0.00 55.36 57.42 3hx7 s GLN 7 Cb -0.63 0.79 0.01 0.00 1.10 0.00 0.00 33.01 34.27 3hx7 s GLN 7 CO 0.41 -0.29 0.71 -1.71 -0.55 0.00 0.00 175.29 173.86 3hx7 n ASN 8 N 5.43 -5.49 -3.80 6.67 5.15 -1.26 -4.98 115.26 116.98 3hx7 n ASN 8 Ca -0.09 -0.33 -0.30 0.00 -0.60 0.00 0.00 54.58 53.26 3hx7 n ASN 8 Cb 0.50 -4.23 -0.13 0.00 -0.53 0.00 0.00 39.78 35.39 3hx7 n ASN 8 CO 0.00 0.00 0.00 -0.47 1.40 0.00 0.00 177.26 178.19 3hx7 s TYR 9 N -3.15 2.41 0.57 1.20 5.04 -1.26 -4.85 117.35 117.31 3hx7 s TYR 9 Ca 0.35 -2.68 -0.20 0.00 -2.44 0.00 0.00 57.07 52.09 3hx7 s TYR 9 Cb -0.15 -2.22 -0.04 0.00 0.35 0.00 0.00 41.96 39.89 3hx7 s TYR 9 CO 0.43 -0.77 1.23 -1.13 -1.34 0.00 0.00 175.55 173.98 3hx7 n SER 10 N 3.42 2.03 0.28 4.32 3.41 -1.26 -4.87 113.62 120.96 3hx7 n SER 10 Ca 0.07 0.91 0.16 0.00 -0.26 0.00 0.00 58.87 59.75 3hx7 n SER 10 Cb 0.34 -1.52 0.84 0.00 -0.26 0.00 0.00 64.21 63.61 3hx7 n SER 10 CO 0.00 0.00 0.00 0.71 -0.16 0.00 0.00 175.04 175.59 3hx7 h THR 11 N 1.04 0.37 -0.09 6.66 1.35 -1.99 -2.27 112.91 117.98 3hx7 h THR 11 Ca -0.50 -0.37 -0.02 0.00 -0.55 0.00 0.00 66.41 64.97 3hx7 h THR 11 Cb 1.33 1.26 -0.00 0.00 -1.73 0.00 0.00 68.15 69.01 3hx7 h THR 11 CO 0.55 0.06 -0.02 0.44 -0.25 0.00 0.00 175.52 176.31 3hx7 h ASP 12 N 0.00 0.17 -0.64 5.36 3.45 -1.99 -2.01 116.42 120.75 3hx7 h ASP 12 Ca -0.00 -0.36 -0.08 0.00 0.43 0.00 0.00 57.03 57.02 3hx7 h ASP 12 Cb 0.26 -0.05 -0.03 0.00 -0.56 0.00 0.00 39.33 38.96 3hx7 h ASP 12 CO 0.01 0.49 0.10 0.58 -1.57 0.00 0.00 179.24 178.85 3hx7 h VAL 13 N -0.15 1.26 -0.51 -1.35 2.07 -1.82 -0.04 116.25 115.72 3hx7 h VAL 13 Ca 0.02 -1.03 0.05 0.00 0.82 0.00 0.00 66.70 66.56 3hx7 h VAL 13 Cb 0.41 0.65 -0.05 0.00 -1.52 0.00 0.00 31.29 30.78 3hx7 h VAL 13 CO 0.01 0.39 0.25 -0.08 0.02 0.00 0.00 177.57 178.15 3hx7 h GLU 14 N 1.01 0.46 -0.25 1.57 4.81 -1.39 0.12 114.58 120.91 3hx7 h GLU 14 Ca 0.20 -0.03 -0.11 0.00 -0.13 0.00 0.00 59.36 59.29 3hx7 h GLU 14 Cb 0.44 -0.10 -0.00 0.00 0.63 0.00 0.00 28.75 29.71 3hx7 h GLU 14 CO 0.01 0.31 -0.29 0.00 -0.73 0.00 0.00 179.01 178.31 3hx7 h ALA 15 N 1.29 0.37 -0.88 2.92 0.00 -1.08 -2.50 119.26 119.39 3hx7 h ALA 15 Ca 0.23 -0.40 0.02 0.00 0.00 0.00 0.00 54.91 54.76 3hx7 h ALA 15 Cb 0.16 -0.08 -0.05 0.00 0.00 0.00 0.00 17.79 17.83 3hx7 h ALA 15 CO -0.17 0.39 0.58 0.00 0.00 0.00 0.00 179.25 180.04 3hx7 h ALA 16 N 0.67 1.41 -0.33 0.00 0.00 -0.53 -0.41 119.26 120.07 3hx7 h ALA 16 Ca 0.03 -0.05 -0.12 0.00 0.00 0.00 0.00 54.91 54.77 3hx7 h ALA 16 Cb 0.86 -0.33 -0.01 0.00 0.00 0.00 0.00 17.79 18.31 3hx7 h ALA 16 CO 0.07 0.53 -0.28 0.28 0.00 0.00 0.00 179.25 179.85 3hx7 h VAL 17 N 1.14 1.28 -0.24 0.00 2.07 -0.72 0.20 116.25 119.98 3hx7 h VAL 17 Ca 0.33 -1.40 -0.09 0.00 0.82 0.00 0.00 66.70 66.36 3hx7 h VAL 17 Cb -0.06 1.32 -0.01 0.00 -1.52 0.00 0.00 31.29 31.01 3hx7 h VAL 17 CO -0.09 0.46 -0.26 0.78 0.02 0.00 0.00 177.57 178.49 3hx7 h ASN 18 N 0.59 0.46 -0.23 0.57 2.35 -0.87 -0.54 115.58 117.92 3hx7 h ASN 18 Ca 0.07 -0.16 -0.16 0.00 -0.55 0.00 0.00 56.30 55.51 3hx7 h ASN 18 Cb 0.78 -0.13 0.00 0.00 0.05 0.00 0.00 38.32 39.03 3hx7 h ASN 18 CO 0.06 0.72 -0.48 -1.28 -1.65 0.00 0.00 177.43 174.80 3hx7 h SER 19 N 0.41 0.83 -0.48 5.81 0.87 -0.73 -2.58 113.55 117.68 3hx7 h SER 19 Ca 0.06 -0.55 -0.06 0.00 -1.23 0.00 0.00 61.79 60.01 3hx7 h SER 19 Cb 0.67 -0.24 -0.02 0.00 -0.44 0.00 0.00 62.40 62.37 3hx7 h SER 19 CO 0.05 1.22 0.08 0.25 -0.53 0.00 0.00 176.83 177.91 3hx7 h LEU 20 N 0.46 0.81 -0.60 2.23 5.85 -0.39 -2.17 115.31 121.50 3hx7 h LEU 20 Ca 0.01 -0.17 0.01 0.00 0.84 0.00 0.00 57.88 58.57 3hx7 h LEU 20 Cb 1.09 -0.21 -0.03 0.00 0.37 0.00 0.00 40.66 41.88 3hx7 h LEU 20 CO 0.11 0.83 0.39 0.58 -0.34 0.00 0.00 178.44 180.00 3hx7 h VAL 21 N 0.82 1.13 -0.83 1.05 2.07 -0.98 -1.32 116.25 118.18 3hx7 h VAL 21 Ca 0.17 -0.27 -0.01 0.00 0.82 0.00 0.00 66.70 67.41 3hx7 h VAL 21 Cb 0.37 0.27 -0.04 0.00 -1.52 0.00 0.00 31.29 30.37 3hx7 h VAL 21 CO 0.01 0.14 0.48 -1.13 0.02 0.00 0.00 177.57 177.09 3hx7 h ASN 22 N 0.79 1.01 0.02 0.57 -0.73 -1.03 -1.27 115.58 114.95 3hx7 h ASN 22 Ca 0.23 -0.07 -0.00 0.00 1.87 0.00 0.00 56.30 58.32 3hx7 h ASN 22 Cb -0.05 -0.26 0.00 0.00 0.27 0.00 0.00 38.32 38.28 3hx7 h ASN 22 CO -0.07 0.80 -0.01 0.25 -0.37 0.00 0.00 177.43 178.03 3hx7 h LEU 23 N 1.15 -0.03 -1.24 0.34 5.85 -0.72 -1.31 115.31 119.36 3hx7 h LEU 23 Ca 0.30 -0.05 -0.01 0.00 0.84 0.00 0.00 57.88 58.95 3hx7 h LEU 23 Cb -0.01 0.01 -0.03 0.00 0.37 0.00 0.00 40.66 41.00 3hx7 h LEU 23 CO -0.05 0.03 0.33 1.88 -0.34 0.00 0.00 178.44 180.29 3hx7 h TYR 24 N -0.09 0.83 -0.17 1.25 -1.99 -0.88 0.23 116.97 116.15 3hx7 h TYR 24 Ca -0.00 -0.01 0.01 0.00 2.00 0.00 0.00 58.73 60.73 3hx7 h TYR 24 Cb 0.08 -0.27 -0.02 0.00 2.00 0.00 0.00 36.73 38.53 3hx7 h TYR 24 CO -0.06 0.59 0.07 -0.07 -0.00 0.00 0.00 178.16 178.69 3hx7 h LEU 25 N 0.85 0.09 -0.81 3.88 3.38 -0.96 0.99 115.31 122.74 3hx7 h LEU 25 Ca 0.22 0.01 0.03 0.00 0.09 0.00 0.00 57.88 58.23 3hx7 h LEU 25 Cb 0.04 -0.00 -0.05 0.00 0.09 0.00 0.00 40.66 40.73 3hx7 h LEU 25 CO -0.03 0.08 0.52 -0.61 0.09 0.00 0.00 178.44 178.48 3hx7 h GLN 26 N 0.16 0.98 -0.20 1.13 4.15 -0.37 0.35 115.11 121.31 3hx7 h GLN 26 Ca 0.07 -0.06 -0.01 0.00 0.77 0.00 0.00 58.65 59.42 3hx7 h GLN 26 Cb 0.03 -0.22 -0.01 0.00 0.21 0.00 0.00 27.48 27.49 3hx7 h GLN 26 CO -0.06 0.65 0.10 0.00 -1.93 0.00 0.00 178.83 177.59 3hx7 h ALA 27 N 1.34 0.26 -0.42 3.38 0.00 0.02 -0.53 119.26 123.31 3hx7 h ALA 27 Ca 0.32 -0.09 -0.01 0.00 0.00 0.00 0.00 54.91 55.14 3hx7 h ALA 27 Cb 0.01 -0.08 -0.02 0.00 0.00 0.00 0.00 17.79 17.70 3hx7 h ALA 27 CO -0.11 -0.18 0.20 1.03 0.00 0.00 0.00 179.25 180.19 3hx7 h SER 28 N 0.19 0.51 -0.50 0.00 0.87 -0.03 -0.41 113.55 114.18 3hx7 h SER 28 Ca 0.07 -0.04 -0.07 0.00 -1.23 0.00 0.00 61.79 60.52 3hx7 h SER 28 Cb 0.12 -0.13 -0.02 0.00 -0.44 0.00 0.00 62.40 61.93 3hx7 h SER 28 CO -0.01 0.44 0.03 0.22 -0.53 0.00 0.00 176.83 176.98 3hx7 h TYR 29 N 0.58 0.93 -0.76 2.24 3.20 -0.32 -0.64 116.97 122.20 3hx7 h TYR 29 Ca 0.15 -0.15 -0.05 0.00 3.14 0.00 0.00 58.73 61.82 3hx7 h TYR 29 Cb 0.06 -0.25 -0.03 0.00 1.54 0.00 0.00 36.73 38.05 3hx7 h TYR 29 CO 0.00 0.86 0.29 1.15 -1.64 0.00 0.00 178.16 178.83 3hx7 h THR 30 N 0.72 1.26 0.00 1.81 2.02 -0.04 -1.72 112.91 116.97 3hx7 h THR 30 Ca 0.14 -0.83 -0.07 0.00 0.77 0.00 0.00 66.41 66.42 3hx7 h THR 30 Cb 0.48 0.37 -0.01 0.00 -1.74 0.00 0.00 68.15 67.24 3hx7 h THR 30 CO 0.02 0.33 -0.34 1.88 0.37 0.00 0.00 175.52 177.78 3hx7 h TYR 31 N 1.11 0.00 0.09 3.16 0.05 -0.80 -1.98 116.97 118.61 3hx7 h TYR 31 Ca 0.25 0.00 -0.00 0.00 0.05 0.00 0.00 58.73 59.03 3hx7 h TYR 31 Cb 0.23 0.00 0.00 0.00 1.01 0.00 0.00 36.73 37.97 3hx7 h TYR 31 CO 0.02 0.34 -0.05 1.25 -1.05 0.00 0.00 178.16 178.68 3hx7 h LEU 32 N 0.00 -0.11 -0.50 3.88 5.85 -0.24 -1.53 115.31 122.66 3hx7 h LEU 32 Ca -0.00 -0.14 0.04 0.00 0.84 0.00 0.00 57.88 58.61 3hx7 h LEU 32 Cb 0.70 0.03 -0.04 0.00 0.37 0.00 0.00 40.66 41.72 3hx7 h LEU 32 CO 0.04 0.08 0.27 -1.28 -0.34 0.00 0.00 178.44 177.21 3hx7 h SER 33 N -0.29 0.40 0.12 1.25 0.87 -1.07 -2.08 113.55 112.74 3hx7 h SER 33 Ca -0.01 0.02 0.00 0.00 -1.23 0.00 0.00 61.79 60.57 3hx7 h SER 33 Cb 0.24 -0.05 -0.01 0.00 -0.44 0.00 0.00 62.40 62.14 3hx7 h SER 33 CO 0.02 0.27 -0.13 -0.07 -0.53 0.00 0.00 176.83 176.40 3hx7 h LEU 34 N 0.52 -0.34 -1.75 2.23 3.38 -1.30 -0.80 115.31 117.26 3hx7 h LEU 34 Ca 0.22 0.03 0.08 0.00 0.09 0.00 0.00 57.88 58.31 3hx7 h LEU 34 Cb 0.10 0.12 -0.03 0.00 0.09 0.00 0.00 40.66 40.95 3hx7 h LEU 34 CO -0.14 -0.19 0.33 1.23 0.09 0.00 0.00 178.44 179.75 3hx7 h GLY 35 N -0.28 0.39 1.45 0.83 0.00 -0.93 -2.05 103.07 102.48 3hx7 h GLY 35 Ca 0.01 -0.12 -0.21 0.00 0.00 0.00 0.00 47.33 47.00 3hx7 h GLY 35 CO -0.04 0.08 -1.25 0.74 0.00 0.00 0.00 176.54 176.07 3hx7 h PHE 36 N 0.29 0.00 -0.34 5.60 -1.00 -1.05 -3.25 116.94 117.19 3hx7 h PHE 36 Ca 0.22 0.00 0.02 0.00 2.81 0.00 0.00 57.97 61.02 3hx7 h PHE 36 Cb 0.49 0.00 -0.02 0.00 3.61 0.00 0.00 35.95 40.02 3hx7 h PHE 36 CO -0.00 0.84 0.19 -0.92 -1.61 0.00 0.00 178.31 176.81 3hx7 h TYR 37 N 0.00 0.35 0.00 -0.55 3.20 -0.48 -0.75 116.97 118.74 3hx7 h TYR 37 Ca -0.13 0.01 0.00 0.00 3.14 0.00 0.00 58.73 61.75 3hx7 h TYR 37 Cb 1.76 -0.11 0.00 0.00 1.54 0.00 0.00 36.73 39.92 3hx7 h TYR 37 CO 0.00 0.20 0.00 1.19 -1.64 0.00 0.00 178.16 177.91 3hx7 n PHE 38 N -4.91 0.00 0.04 -3.82 3.72 -0.89 -1.88 117.46 109.71 3hx7 n PHE 38 Ca -0.00 0.00 0.06 0.00 -0.05 0.00 0.00 57.45 57.46 3hx7 n PHE 38 Cb 0.06 -0.24 -0.08 0.00 -0.94 0.00 0.00 39.48 38.29 3hx7 n PHE 38 CO 0.00 0.00 0.00 -3.47 -0.05 0.00 0.00 176.76 173.24 3hx7 n ASP 39 N -1.24 0.61 -4.55 4.37 4.64 -0.32 -1.66 116.55 118.40 3hx7 n ASP 39 Ca 0.09 0.25 -0.45 0.00 -1.38 0.00 0.00 54.79 53.30 3hx7 n ASP 39 Cb 0.12 0.73 -0.01 0.00 -1.04 0.00 0.00 41.12 40.92 3hx7 n ASP 39 CO 0.00 0.00 0.00 0.54 -0.82 0.00 0.00 177.20 176.92 3hx7 n ARG 40 N -2.66 1.05 0.31 -0.67 1.74 -0.79 -4.60 116.66 111.04 3hx7 n ARG 40 Ca -0.07 0.37 0.19 0.00 -0.77 0.00 0.00 57.85 57.58 3hx7 n ARG 40 Cb 0.70 -1.68 0.99 0.00 -1.02 0.00 0.00 32.46 31.45 3hx7 n ARG 40 CO 0.00 0.00 0.00 0.38 -1.52 0.00 0.00 177.63 176.49 3hx7 h ASP 41 N 1.69 0.00 -0.39 0.55 2.03 -1.92 0.64 116.42 119.02 3hx7 h ASP 41 Ca -0.38 0.00 0.00 0.00 -0.73 0.00 0.00 57.03 55.92 3hx7 h ASP 41 Cb 1.36 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 39.86 3hx7 h ASP 41 CO 0.59 0.02 0.00 -0.90 -1.03 0.00 0.00 179.24 177.92 3hx7 n ASP 42 N -3.24 2.96 0.00 4.15 3.85 -1.26 -4.12 116.55 118.89 3hx7 n ASP 42 Ca -0.02 -2.24 0.00 0.00 -0.71 0.00 0.00 54.79 51.82 3hx7 n ASP 42 Cb 0.15 -0.43 0.00 0.00 -1.35 0.00 0.00 41.12 39.49 3hx7 n ASP 42 CO 0.00 0.00 0.00 0.52 -1.01 0.00 0.00 177.20 176.71 3hx7 n VAL 43 N 0.59 0.00 -4.07 2.12 0.31 -0.79 -5.08 118.33 111.42 3hx7 n VAL 43 Ca 0.15 0.00 -0.43 0.00 -0.01 0.00 0.00 64.34 64.05 3hx7 n VAL 43 Cb 0.56 -0.64 0.02 0.00 -0.91 0.00 0.00 33.84 32.86 3hx7 n VAL 43 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 3hx7 n ALA 44 N -2.42 -2.45 -3.83 3.52 0.00 0.15 -4.91 120.51 110.58 3hx7 n ALA 44 Ca 0.00 -0.55 -0.28 0.00 0.00 0.00 0.00 53.44 52.61 3hx7 n ALA 44 Cb 0.18 -2.27 -0.12 0.00 0.00 0.00 0.00 19.45 17.24 3hx7 n ALA 44 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 3hx7 s LEU 45 N -7.27 4.14 0.13 0.00 1.43 -0.66 -5.00 118.68 111.44 3hx7 s LEU 45 Ca 0.44 -3.51 -0.32 0.00 -1.03 0.00 0.00 54.13 49.70 3hx7 s LEU 45 Cb -0.25 -1.44 -0.11 0.00 0.03 0.00 0.00 46.19 44.43 3hx7 s LEU 45 CO 0.88 -0.13 1.53 -0.08 0.23 0.00 0.00 176.35 178.78 3hx7 h GLU 46 N 5.73 -0.40 -0.90 1.70 4.81 -1.91 -1.05 114.58 122.57 3hx7 h GLU 46 Ca 0.11 0.03 0.15 0.00 -0.13 0.00 0.00 59.36 59.51 3hx7 h GLU 46 Cb 0.81 0.09 -0.07 0.00 0.63 0.00 0.00 28.75 30.21 3hx7 h GLU 46 CO 0.65 -0.26 0.58 0.78 -0.73 0.00 0.00 179.01 180.02 3hx7 h GLY 47 N -0.41 1.21 0.95 1.92 0.00 -1.95 0.26 103.07 105.05 3hx7 h GLY 47 Ca 0.07 -0.30 -0.09 0.00 0.00 0.00 0.00 47.33 47.01 3hx7 h GLY 47 CO -0.56 0.08 -0.13 -2.08 0.00 0.00 0.00 176.54 173.85 3hx7 h VAL 48 N 0.68 1.28 0.16 4.60 2.07 -1.74 -0.80 116.25 122.51 3hx7 h VAL 48 Ca 0.45 -1.22 0.01 0.00 0.82 0.00 0.00 66.70 66.76 3hx7 h VAL 48 Cb 0.75 1.34 -0.02 0.00 -1.52 0.00 0.00 31.29 31.83 3hx7 h VAL 48 CO -0.21 0.40 -0.20 -1.28 0.02 0.00 0.00 177.57 176.30 3hx7 h SER 49 N 0.49 -0.53 -0.47 0.57 0.87 0.17 -2.02 113.55 112.63 3hx7 h SER 49 Ca 0.08 0.05 0.07 0.00 -1.23 0.00 0.00 61.79 60.77 3hx7 h SER 49 Cb 0.65 0.19 -0.06 0.00 -0.44 0.00 0.00 62.40 62.74 3hx7 h SER 49 CO 0.04 -0.29 0.15 -0.74 -0.53 0.00 0.00 176.83 175.46 3hx7 h HIS 50 N -0.40 0.25 -0.48 2.24 6.17 -0.50 -1.13 115.15 121.29 3hx7 h HIS 50 Ca 0.01 0.03 0.10 0.00 0.71 0.00 0.00 60.37 61.21 3hx7 h HIS 50 Cb 0.40 -0.04 -0.09 0.00 2.52 0.00 0.00 27.41 30.20 3hx7 h HIS 50 CO -0.16 0.07 -0.07 0.35 0.71 0.00 0.00 177.93 178.83 3hx7 h PHE 51 N 0.31 -0.16 -0.04 5.26 3.57 -0.74 -0.23 116.94 124.90 3hx7 h PHE 51 Ca 0.23 0.04 -0.14 0.00 3.53 0.00 0.00 57.97 61.63 3hx7 h PHE 51 Cb 0.25 0.14 -0.01 0.00 2.79 0.00 0.00 35.95 39.12 3hx7 h PHE 51 CO -0.18 -0.17 -0.62 0.74 -2.23 0.00 0.00 178.31 175.86 3hx7 h PHE 52 N 0.05 0.19 -0.02 0.41 0.05 -0.81 -2.91 116.94 113.89 3hx7 h PHE 52 Ca 0.24 -0.07 -0.10 0.00 3.82 0.00 0.00 57.97 61.85 3hx7 h PHE 52 Cb 0.36 -0.03 -0.01 0.00 2.00 0.00 0.00 35.95 38.26 3hx7 h PHE 52 CO -0.36 0.72 -0.47 0.00 -0.18 0.00 0.00 178.31 178.02 3hx7 h ARG 53 N 0.11 0.05 0.00 1.51 3.08 -0.44 -1.39 114.38 117.29 3hx7 h ARG 53 Ca -0.01 -0.02 -0.10 0.00 0.07 0.00 0.00 59.98 59.92 3hx7 h ARG 53 Cb 1.11 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 31.15 3hx7 h ARG 53 CO 0.09 0.51 -0.49 0.93 -1.07 0.00 0.00 179.97 179.94 3hx7 h GLU 54 N 0.04 0.00 -0.08 0.04 5.08 -0.93 -2.68 114.58 116.05 3hx7 h GLU 54 Ca -0.00 0.00 -0.23 0.00 -1.00 0.00 0.00 59.36 58.13 3hx7 h GLU 54 Cb 0.84 0.00 0.01 0.00 0.50 0.00 0.00 28.75 30.10 3hx7 h GLU 54 CO 0.06 0.49 -0.86 -0.07 -1.00 0.00 0.00 179.01 177.63 3hx7 h LEU 55 N 0.00 0.80 -0.99 1.33 3.38 -1.19 -1.70 115.31 116.94 3hx7 h LEU 55 Ca -0.00 -0.57 0.08 0.00 0.09 0.00 0.00 57.88 57.47 3hx7 h LEU 55 Cb 0.89 -0.24 -0.07 0.00 0.09 0.00 0.00 40.66 41.33 3hx7 h LEU 55 CO 0.06 1.36 0.63 0.00 0.09 0.00 0.00 178.44 180.59 3hx7 h ALA 56 N 0.61 1.41 -0.23 1.53 0.00 -1.14 0.83 119.26 122.26 3hx7 h ALA 56 Ca -0.07 -0.01 -0.19 0.00 0.00 0.00 0.00 54.91 54.64 3hx7 h ALA 56 Cb 1.49 -0.27 0.00 0.00 0.00 0.00 0.00 17.79 19.01 3hx7 h ALA 56 CO 0.17 0.37 -0.59 1.49 0.00 0.00 0.00 179.25 180.68 3hx7 h GLU 57 N 1.11 0.81 -0.91 0.00 4.57 -1.41 -2.03 114.58 116.72 3hx7 h GLU 57 Ca 0.44 -0.56 0.02 0.00 -1.18 0.00 0.00 59.36 58.08 3hx7 h GLU 57 Cb 0.25 0.09 -0.05 0.00 -0.16 0.00 0.00 28.75 28.88 3hx7 h GLU 57 CO -0.20 1.19 0.60 0.93 -1.18 0.00 0.00 179.01 180.35 3hx7 h GLU 58 N 0.56 1.16 -0.05 1.92 5.08 -0.40 -0.40 114.58 122.45 3hx7 h GLU 58 Ca -0.01 -0.07 -0.14 0.00 -1.00 0.00 0.00 59.36 58.14 3hx7 h GLU 58 Cb 1.21 -0.26 -0.01 0.00 0.50 0.00 0.00 28.75 30.18 3hx7 h GLU 58 CO 0.13 0.77 -0.59 0.87 -1.00 0.00 0.00 179.01 179.19 3hx7 h LYS 59 N 1.20 0.16 -0.45 2.33 1.79 -0.76 -1.90 116.57 118.94 3hx7 h LYS 59 Ca 0.34 -0.11 -0.05 0.00 -2.18 0.00 0.00 60.65 58.65 3hx7 h LYS 59 Cb -0.09 0.02 -0.02 0.00 -1.58 0.00 0.00 32.23 30.56 3hx7 h LYS 59 CO -0.08 0.71 0.09 -0.09 -1.08 0.00 0.00 179.45 178.99 3hx7 h ARG 60 N 0.12 0.73 -0.81 3.15 2.43 -0.43 -0.60 114.38 118.98 3hx7 h ARG 60 Ca -0.00 -0.19 0.02 0.00 -0.81 0.00 0.00 59.98 59.00 3hx7 h ARG 60 Cb 1.07 -0.09 -0.04 0.00 -0.42 0.00 0.00 29.97 30.49 3hx7 h ARG 60 CO 0.09 0.74 0.53 0.93 -1.51 0.00 0.00 179.97 180.75 3hx7 h GLU 61 N 0.60 1.02 0.42 0.20 5.08 -1.02 -0.30 114.58 120.58 3hx7 h GLU 61 Ca 0.14 -0.06 -0.02 0.00 -1.00 0.00 0.00 59.36 58.42 3hx7 h GLU 61 Cb 0.35 -0.23 0.00 0.00 0.50 0.00 0.00 28.75 29.37 3hx7 h GLU 61 CO 0.00 0.68 -0.20 0.78 -1.00 0.00 0.00 179.01 179.27 3hx7 h GLY 62 N 1.05 -0.59 2.00 -3.84 0.00 -0.45 0.11 103.07 101.35 3hx7 h GLY 62 Ca 0.31 0.22 -0.08 0.00 0.00 0.00 0.00 47.33 47.77 3hx7 h GLY 62 CO -0.08 -0.21 -0.39 0.10 0.00 0.00 0.00 176.54 175.95 3hx7 h TYR 63 N -0.62 0.00 -0.42 5.60 -0.00 -0.94 -2.29 116.97 118.30 3hx7 h TYR 63 Ca -0.06 0.00 -0.06 0.00 0.00 0.00 0.00 58.73 58.61 3hx7 h TYR 63 Cb 0.47 0.00 -0.02 0.00 0.00 0.00 0.00 36.73 37.18 3hx7 h TYR 63 CO -0.03 0.39 0.03 0.93 -0.00 0.00 0.00 178.16 179.48 3hx7 h GLU 64 N 0.00 0.72 -0.74 0.10 5.08 -0.82 -1.66 114.58 117.26 3hx7 h GLU 64 Ca -0.00 -0.22 -0.01 0.00 -1.00 0.00 0.00 59.36 58.13 3hx7 h GLU 64 Cb 0.76 -0.07 -0.04 0.00 0.50 0.00 0.00 28.75 29.90 3hx7 h GLU 64 CO 0.05 0.79 0.42 -0.09 -1.00 0.00 0.00 179.01 179.18 3hx7 h ARG 65 N 0.56 1.01 -0.39 2.33 2.43 -0.50 -1.21 114.38 118.61 3hx7 h ARG 65 Ca 0.12 -0.10 -0.09 0.00 -0.81 0.00 0.00 59.98 59.10 3hx7 h ARG 65 Cb 0.44 -0.21 -0.01 0.00 -0.42 0.00 0.00 29.97 29.78 3hx7 h ARG 65 CO 0.02 0.73 -0.11 -0.07 -1.51 0.00 0.00 179.97 179.02 3hx7 h LEU 66 N 1.02 0.77 -0.87 3.80 3.38 -1.11 -1.92 115.31 120.38 3hx7 h LEU 66 Ca 0.26 -0.37 -0.09 0.00 0.09 0.00 0.00 57.88 57.77 3hx7 h LEU 66 Cb -0.00 -0.21 -0.02 0.00 0.09 0.00 0.00 40.66 40.52 3hx7 h LEU 66 CO -0.05 0.97 -0.17 -0.07 0.09 0.00 0.00 178.44 179.21 3hx7 h LEU 67 N 0.57 0.65 -0.44 1.67 3.38 -0.94 0.20 115.31 120.40 3hx7 h LEU 67 Ca 0.10 -0.20 -0.01 0.00 0.09 0.00 0.00 57.88 57.85 3hx7 h LEU 67 Cb 0.64 -0.18 -0.02 0.00 0.09 0.00 0.00 40.66 41.19 3hx7 h LEU 67 CO 0.04 0.83 0.23 0.50 0.09 0.00 0.00 178.44 180.13 3hx7 h LYS 68 N 0.59 0.62 -0.33 1.13 1.63 -1.09 -2.31 116.57 116.81 3hx7 h LYS 68 Ca 0.09 -0.08 -0.09 0.00 -0.85 0.00 0.00 60.65 59.73 3hx7 h LYS 68 Cb 0.62 -0.12 -0.01 0.00 -0.60 0.00 0.00 32.23 32.12 3hx7 h LYS 68 CO 0.04 0.51 -0.13 1.98 -3.45 0.00 0.00 179.45 178.41 3hx7 h MET 69 N 0.57 0.68 -0.84 1.90 4.05 -0.98 -2.39 114.93 117.93 3hx7 h MET 69 Ca 0.15 -0.28 0.15 0.00 -0.28 0.00 0.00 59.70 59.44 3hx7 h MET 69 Cb 0.08 -0.03 -0.09 0.00 -0.80 0.00 0.00 31.60 30.76 3hx7 h MET 69 CO -0.02 0.87 0.42 0.37 0.23 0.00 0.00 176.91 178.78 3hx7 h GLN 70 N 0.45 0.58 -0.25 0.39 5.75 -0.35 -1.46 115.11 120.22 3hx7 h GLN 70 Ca 0.08 -0.03 -0.12 0.00 -0.15 0.00 0.00 58.65 58.43 3hx7 h GLN 70 Cb 0.65 -0.13 -0.00 0.00 1.07 0.00 0.00 27.48 29.06 3hx7 h GLN 70 CO 0.04 0.38 -0.30 -0.91 -2.65 0.00 0.00 178.83 175.39 3hx7 h ASN 71 N 0.60 0.69 -0.92 -0.69 2.35 -1.29 0.17 115.58 116.50 3hx7 h ASN 71 Ca 0.46 -0.49 0.19 0.00 -0.55 0.00 0.00 56.30 55.90 3hx7 h ASN 71 Cb 0.66 -0.20 -0.07 0.00 0.05 0.00 0.00 38.32 38.76 3hx7 h ASN 71 CO -0.37 1.05 0.59 1.56 -1.65 0.00 0.00 177.43 178.61 3hx7 h GLN 72 N 0.36 0.51 -0.00 0.81 1.08 -0.76 0.37 115.11 117.48 3hx7 h GLN 72 Ca 0.03 -0.03 0.00 0.00 -1.45 0.00 0.00 58.65 57.20 3hx7 h GLN 72 Cb 0.88 -0.12 0.00 0.00 -0.05 0.00 0.00 27.48 28.19 3hx7 h GLN 72 CO 0.07 0.34 -0.31 0.54 -0.95 0.00 0.00 178.83 178.51 3hx7 n ARG 73 N -4.56 0.19 -0.37 1.46 5.12 -0.82 -4.92 116.66 112.76 3hx7 n ARG 73 Ca 0.19 -0.09 0.00 0.00 -1.93 0.00 0.00 57.85 56.02 3hx7 n ARG 73 Cb 0.63 -1.50 0.00 0.00 -1.16 0.00 0.00 32.46 30.43 3hx7 n ARG 73 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 3hx7 n GLY 74 N 1.45 0.76 3.86 -0.13 0.00 0.12 -4.02 105.19 107.24 3hx7 n GLY 74 Ca 0.08 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.79 3hx7 n GLY 74 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 3hx7 s GLY 75 N -1.75 1.74 -0.23 -0.02 0.00 0.04 -4.57 107.32 102.54 3hx7 s GLY 75 Ca 0.00 -0.02 -0.04 0.00 0.00 0.00 0.00 44.72 44.66 3hx7 s GLY 75 CO 0.00 0.25 -0.04 0.50 0.00 0.00 0.00 173.10 173.82 3hx7 s ARG 76 N -4.95 3.24 0.28 2.90 1.81 -1.26 -4.11 118.95 116.86 3hx7 s ARG 76 Ca 0.56 -0.71 -0.29 0.00 -1.72 0.00 0.00 55.73 53.56 3hx7 s ARG 76 Cb -0.11 -3.03 -0.10 0.00 -0.45 0.00 0.00 34.95 31.26 3hx7 s ARG 76 CO 0.50 -0.26 1.36 0.00 -0.68 0.00 0.00 175.30 176.22 3hx7 s ALA 77 N 1.45 3.55 -0.09 2.13 0.00 -1.26 -5.01 121.76 122.53 3hx7 s ALA 77 Ca 0.04 1.27 0.01 0.00 0.00 0.00 0.00 51.96 53.28 3hx7 s ALA 77 Cb -0.15 -3.51 0.02 0.00 0.00 0.00 0.00 23.12 19.48 3hx7 s ALA 77 CO -0.03 -0.67 -0.10 -0.51 0.00 0.00 0.00 175.76 174.45 3hx7 s LEU 78 N -1.01 1.40 0.11 0.00 1.43 -1.26 -5.14 118.68 114.22 3hx7 s LEU 78 Ca 0.54 -0.30 0.01 0.00 -1.03 0.00 0.00 54.13 53.36 3hx7 s LEU 78 Cb -0.40 -0.82 -0.04 0.00 0.03 0.00 0.00 46.19 44.96 3hx7 s LEU 78 CO 0.47 -0.05 0.26 -0.36 0.23 0.00 0.00 176.35 176.90 3hx7 s PHE 79 N 1.21 3.50 0.27 0.29 0.08 -1.26 -4.87 117.98 117.20 3hx7 s PHE 79 Ca -0.04 0.18 0.02 0.00 0.12 0.00 0.00 56.93 57.21 3hx7 s PHE 79 Cb -0.14 -1.71 -0.04 0.00 -0.57 0.00 0.00 43.02 40.55 3hx7 s PHE 79 CO -0.03 0.54 0.13 -0.65 -0.10 0.00 0.00 175.22 175.12 3hx7 s GLN 80 N -2.94 1.47 0.40 0.44 -1.52 -1.26 -5.13 119.66 111.11 3hx7 s GLN 80 Ca 0.35 -1.81 -0.27 0.00 -1.95 0.00 0.00 55.36 51.67 3hx7 s GLN 80 Cb -0.12 -0.11 -0.10 0.00 -0.22 0.00 0.00 33.01 32.46 3hx7 s GLN 80 CO 0.28 -0.38 1.48 -0.51 -0.25 0.00 0.00 175.29 175.91 3hx7 s ASP 81 N -3.32 6.21 -0.24 5.90 -0.00 -1.26 -4.98 116.67 118.99 3hx7 s ASP 81 Ca 0.37 3.03 -0.15 0.00 -0.00 0.00 0.00 52.55 55.80 3hx7 s ASP 81 Cb 0.06 -2.67 -0.04 0.00 -0.00 0.00 0.00 42.92 40.28 3hx7 s ASP 81 CO 0.15 -0.96 0.38 -0.63 -0.00 0.00 0.00 175.17 174.11 3hx7 s ILE 82 N -1.14 5.19 0.28 0.77 1.01 -1.26 -5.06 121.20 121.00 3hx7 s ILE 82 Ca 0.55 0.62 -0.29 0.00 0.00 0.00 0.00 60.65 61.53 3hx7 s ILE 82 Cb -0.46 -3.71 -0.10 0.00 0.01 0.00 0.00 42.46 38.21 3hx7 s ILE 82 CO 0.62 0.21 1.13 -0.54 0.00 0.00 0.00 174.94 176.36 3hx7 s LYS 83 N 1.67 4.60 0.97 2.79 1.02 -1.26 -5.02 119.74 124.50 3hx7 s LYS 83 Ca 0.17 1.86 -0.11 0.00 0.02 0.00 0.00 55.97 57.90 3hx7 s LYS 83 Cb -0.15 -3.18 0.18 0.00 -0.52 0.00 0.00 37.83 34.15 3hx7 s LYS 83 CO 0.09 0.15 1.11 -1.59 -0.92 0.00 0.00 175.35 174.18 3hx7 s LYS 84 N -1.41 0.61 0.69 1.68 -2.85 -1.26 -4.87 119.74 112.34 3hx7 s LYS 84 Ca 0.45 1.33 -0.16 0.00 -1.00 0.00 0.00 55.97 56.60 3hx7 s LYS 84 Cb -0.33 -1.70 0.02 0.00 -2.06 0.00 0.00 37.83 33.76 3hx7 s LYS 84 CO 0.42 -2.84 1.20 -2.14 0.10 0.00 0.00 175.35 172.09 3hx7 s PRO 85 N -4.63 2.39 0.57 1.78 0.02 -1.26 -4.93 135.00 128.95 3hx7 s PRO 85 Ca 0.67 1.73 0.33 0.00 0.02 0.00 0.00 61.00 63.75 3hx7 s PRO 85 Cb -0.23 -1.87 1.71 0.00 0.02 0.00 0.00 34.50 34.14 3hx7 s PRO 85 CO 0.59 -1.64 2.14 0.00 -0.33 0.00 0.00 177.00 177.77 3hx7 h ALA 86 N -0.01 1.16 -3.31 -1.55 0.00 -1.98 -3.44 119.26 110.13 3hx7 h ALA 86 Ca -0.48 -0.05 -0.25 0.00 0.00 0.00 0.00 54.91 54.12 3hx7 h ALA 86 Cb 1.29 -0.01 -0.23 0.00 0.00 0.00 0.00 17.79 18.84 3hx7 h ALA 86 CO 0.51 0.07 -0.73 -1.21 0.00 0.00 0.00 179.25 177.90 3hx7 s GLU 87 N -4.09 0.41 -0.05 0.00 0.41 -1.26 -5.04 118.70 109.08 3hx7 s GLU 87 Ca -0.03 -0.55 -0.11 0.00 -0.41 0.00 0.00 54.97 53.87 3hx7 s GLU 87 Cb 0.12 -0.19 -0.31 0.00 -1.78 0.00 0.00 34.13 31.97 3hx7 s GLU 87 CO 0.53 0.03 0.68 -0.44 -0.49 0.00 0.00 175.26 175.57 3hx7 h ASP 88 N 4.96 0.63 -3.80 -0.19 3.32 -2.01 -3.45 116.42 115.87 3hx7 h ASP 88 Ca -0.32 -0.94 -0.68 0.00 0.02 0.00 0.00 57.03 55.10 3hx7 h ASP 88 Cb 1.20 -0.21 -0.30 0.00 0.22 0.00 0.00 39.33 40.25 3hx7 h ASP 88 CO 0.43 1.79 -0.84 -1.61 -1.72 0.00 0.00 179.24 177.29 3hx7 s GLU 89 N -2.58 2.77 -0.27 3.56 2.02 -1.26 -4.98 118.70 117.96 3hx7 s GLU 89 Ca -0.16 -0.83 0.13 0.00 0.02 0.00 0.00 54.97 54.13 3hx7 s GLU 89 Cb 0.05 -2.30 0.74 0.00 0.10 0.00 0.00 34.13 32.73 3hx7 s GLU 89 CO 0.86 0.36 1.72 0.91 0.02 0.00 0.00 175.26 179.13 3hx7 n TRP 90 N 3.03 2.05 -4.96 1.61 7.02 -1.26 -5.07 117.44 119.86 3hx7 n TRP 90 Ca -0.18 -0.97 0.00 0.00 -1.02 0.00 0.00 57.50 55.33 3hx7 n TRP 90 Cb 0.52 -0.56 0.00 0.00 -2.42 0.00 0.00 31.31 28.85 3hx7 n TRP 90 CO 0.00 0.00 0.00 0.41 -2.02 0.00 0.00 177.69 176.08 3hx7 n GLY 91 N 0.08 1.02 3.92 6.99 0.00 -1.26 -3.65 105.19 112.29 3hx7 n GLY 91 Ca 0.33 -0.65 -0.27 0.00 0.00 0.00 0.00 46.02 45.43 3hx7 n GLY 91 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3hx7 s LYS 92 N 0.00 2.57 0.26 1.61 1.02 -1.26 -4.82 119.74 119.11 3hx7 s LYS 92 Ca 0.00 -0.04 -0.07 0.00 0.02 0.00 0.00 55.97 55.87 3hx7 s LYS 92 Cb 0.00 -2.18 0.45 0.00 -0.52 0.00 0.00 37.83 35.57 3hx7 s LYS 92 CO 0.00 -1.00 1.60 1.15 -0.92 0.00 0.00 175.35 176.18 3hx7 h THR 93 N -0.45 0.20 -0.68 2.17 2.02 -1.99 -0.86 112.91 113.31 3hx7 h THR 93 Ca -0.45 -0.01 0.08 0.00 0.77 0.00 0.00 66.41 66.80 3hx7 h THR 93 Cb 1.28 0.16 -0.06 0.00 -1.74 0.00 0.00 68.15 67.79 3hx7 h THR 93 CO 0.61 0.01 0.35 -0.65 0.37 0.00 0.00 175.52 176.21 3hx7 h PRO 94 N 0.03 0.61 -0.48 6.66 0.11 -1.94 0.12 132.00 137.11 3hx7 h PRO 94 Ca 0.44 -0.04 -0.06 0.00 0.11 0.00 0.00 66.00 66.45 3hx7 h PRO 94 Cb 0.75 -0.14 -0.02 0.00 0.11 0.00 0.00 31.00 31.70 3hx7 h PRO 94 CO -0.81 0.40 0.04 -0.44 -0.21 0.00 0.00 178.00 176.98 3hx7 h ASP 95 N 0.62 0.73 0.43 -2.05 5.19 -1.46 -0.98 116.42 118.91 3hx7 h ASP 95 Ca 0.33 -0.16 -0.02 0.00 -0.62 0.00 0.00 57.03 56.56 3hx7 h ASP 95 Cb 0.29 -0.19 0.00 0.00 0.18 0.00 0.00 39.33 39.61 3hx7 h ASP 95 CO -0.23 0.77 -0.21 0.00 -3.12 0.00 0.00 179.24 176.45 3hx7 h ALA 96 N 1.32 -0.58 0.00 3.45 0.00 -0.63 -2.21 119.26 120.61 3hx7 h ALA 96 Ca 0.15 -0.18 -0.00 0.00 0.00 0.00 0.00 54.91 54.88 3hx7 h ALA 96 Cb 0.39 0.22 -0.00 0.00 0.00 0.00 0.00 17.79 18.40 3hx7 h ALA 96 CO 0.01 -0.72 -0.01 1.98 0.00 0.00 0.00 179.25 180.51 3hx7 h MET 97 N -0.80 0.00 -0.02 0.00 -1.53 -0.66 -1.44 114.93 110.48 3hx7 h MET 97 Ca -0.06 0.00 -0.14 0.00 -3.44 0.00 0.00 59.70 56.06 3hx7 h MET 97 Cb 0.54 0.00 0.01 0.00 -0.55 0.00 0.00 31.60 31.61 3hx7 h MET 97 CO 0.10 0.01 -0.55 0.87 0.14 0.00 0.00 176.91 177.48 3hx7 h LYS 98 N 0.00 0.40 -0.20 0.39 1.57 -0.99 -2.34 116.57 115.41 3hx7 h LYS 98 Ca -0.00 -0.41 -0.05 0.00 -1.87 0.00 0.00 60.65 58.32 3hx7 h LYS 98 Cb 0.04 0.11 -0.01 0.00 0.08 0.00 0.00 32.23 32.45 3hx7 h LYS 98 CO 0.00 1.07 -0.11 0.00 -0.57 0.00 0.00 179.45 179.85 3hx7 h ALA 99 N 0.34 1.45 0.11 3.86 0.00 -0.74 -0.50 119.26 123.79 3hx7 h ALA 99 Ca -0.06 -0.21 -0.01 0.00 0.00 0.00 0.00 54.91 54.63 3hx7 h ALA 99 Cb 1.26 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 18.94 3hx7 h ALA 99 CO 0.11 0.39 -0.05 0.00 0.00 0.00 0.00 179.25 179.69 3hx7 h ALA 100 N 1.59 -0.15 -0.84 0.00 0.00 -1.30 -1.56 119.26 117.00 3hx7 h ALA 100 Ca 0.06 -0.16 0.09 0.00 0.00 0.00 0.00 54.91 54.90 3hx7 h ALA 100 Cb 0.38 0.06 -0.07 0.00 0.00 0.00 0.00 17.79 18.16 3hx7 h ALA 100 CO 0.02 -0.43 0.49 1.98 0.00 0.00 0.00 179.25 181.31 3hx7 h MET 101 N -0.47 0.80 -0.13 0.00 -1.53 -1.14 0.44 114.93 112.90 3hx7 h MET 101 Ca -0.02 -0.05 -0.00 0.00 -3.44 0.00 0.00 59.70 56.19 3hx7 h MET 101 Cb 0.38 -0.18 -0.01 0.00 -0.55 0.00 0.00 31.60 31.24 3hx7 h MET 101 CO 0.03 0.53 0.06 0.00 0.14 0.00 0.00 176.91 177.67 3hx7 h ALA 102 N 1.46 0.17 -0.41 0.39 0.00 -1.00 -1.90 119.26 117.97 3hx7 h ALA 102 Ca 0.40 -0.07 0.04 0.00 0.00 0.00 0.00 54.91 55.28 3hx7 h ALA 102 Cb 0.35 -0.05 -0.04 0.00 0.00 0.00 0.00 17.79 18.05 3hx7 h ALA 102 CO -0.24 -0.28 0.17 1.25 0.00 0.00 0.00 179.25 180.16 3hx7 h LEU 103 N 0.09 0.23 -1.14 0.00 5.85 -0.53 -0.18 115.31 119.63 3hx7 h LEU 103 Ca 0.04 0.03 -0.04 0.00 0.84 0.00 0.00 57.88 58.76 3hx7 h LEU 103 Cb 0.11 -0.00 -0.02 0.00 0.37 0.00 0.00 40.66 41.12 3hx7 h LEU 103 CO -0.01 0.17 0.16 -0.33 -0.34 0.00 0.00 178.44 178.09 3hx7 h GLU 104 N 0.36 0.76 -0.27 1.25 4.39 -0.79 -0.06 114.58 120.22 3hx7 h GLU 104 Ca 0.18 -0.13 -0.14 0.00 0.34 0.00 0.00 59.36 59.60 3hx7 h GLU 104 Cb 0.13 -0.13 -0.01 0.00 -0.10 0.00 0.00 28.75 28.64 3hx7 h GLU 104 CO -0.16 0.67 -0.42 0.87 -1.16 0.00 0.00 179.01 178.81 3hx7 h LYS 105 N 0.75 0.66 -0.57 2.33 1.57 -0.80 0.19 116.57 120.70 3hx7 h LYS 105 Ca 0.17 -0.35 -0.02 0.00 -1.87 0.00 0.00 60.65 58.58 3hx7 h LYS 105 Cb 0.22 0.01 -0.03 0.00 0.08 0.00 0.00 32.23 32.52 3hx7 h LYS 105 CO -0.01 0.96 0.27 -0.22 -0.57 0.00 0.00 179.45 179.87 3hx7 h LYS 106 N 0.54 0.82 -0.33 3.15 3.64 -0.35 -0.66 116.57 123.38 3hx7 h LYS 106 Ca 0.04 -0.12 -0.05 0.00 -1.27 0.00 0.00 60.65 59.25 3hx7 h LYS 106 Cb 0.95 -0.15 -0.01 0.00 -0.41 0.00 0.00 32.23 32.61 3hx7 h LYS 106 CO 0.09 0.67 0.02 -0.07 -2.27 0.00 0.00 179.45 177.89 3hx7 h LEU 107 N 0.77 0.56 -2.06 5.20 3.38 -0.76 -1.91 115.31 120.49 3hx7 h LEU 107 Ca 0.19 -0.29 -0.01 0.00 0.09 0.00 0.00 57.88 57.86 3hx7 h LEU 107 Cb 0.13 -0.15 -0.00 0.00 0.09 0.00 0.00 40.66 40.73 3hx7 h LEU 107 CO -0.02 0.72 -0.05 -1.13 0.09 0.00 0.00 178.44 178.04 3hx7 h ASN 108 N 0.39 0.00 0.08 -0.43 -1.24 -0.33 -0.34 115.58 113.71 3hx7 h ASN 108 Ca 0.10 0.00 -0.28 0.00 0.71 0.00 0.00 56.30 56.83 3hx7 h ASN 108 Cb 0.42 0.00 0.03 0.00 0.73 0.00 0.00 38.32 39.49 3hx7 h ASN 108 CO 0.01 0.05 -1.14 -0.61 -1.29 0.00 0.00 177.43 174.45 3hx7 h GLN 109 N 0.00 0.64 -0.09 6.67 5.75 -0.81 -1.77 115.11 125.50 3hx7 h GLN 109 Ca -0.00 -0.79 -0.03 0.00 -0.15 0.00 0.00 58.65 57.67 3hx7 h GLN 109 Cb 0.11 0.25 -0.01 0.00 1.07 0.00 0.00 27.48 28.90 3hx7 h GLN 109 CO 0.01 1.35 -0.10 0.00 -2.65 0.00 0.00 178.83 177.44 3hx7 h ALA 110 N 0.32 1.66 -0.08 3.38 0.00 -0.50 -0.03 119.26 124.02 3hx7 h ALA 110 Ca -0.16 -0.15 -0.10 0.00 0.00 0.00 0.00 54.91 54.50 3hx7 h ALA 110 Cb 1.81 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 19.55 3hx7 h ALA 110 CO 0.22 0.25 -0.33 -0.07 0.00 0.00 0.00 179.25 179.33 3hx7 h LEU 111 N 0.14 0.43 -1.08 0.00 3.38 -1.01 -2.09 115.31 115.08 3hx7 h LEU 111 Ca 0.03 -0.63 -0.07 0.00 0.09 0.00 0.00 57.88 57.29 3hx7 h LEU 111 Cb 0.27 -0.13 -0.02 0.00 0.09 0.00 0.00 40.66 40.88 3hx7 h LEU 111 CO 0.02 0.99 -0.14 -0.07 0.09 0.00 0.00 178.44 179.33 3hx7 h LEU 112 N -0.11 0.47 -0.37 1.67 3.38 -0.97 -0.87 115.31 118.51 3hx7 h LEU 112 Ca -0.02 -0.13 -0.05 0.00 0.09 0.00 0.00 57.88 57.78 3hx7 h LEU 112 Cb 0.97 -0.13 -0.01 0.00 0.09 0.00 0.00 40.66 41.58 3hx7 h LEU 112 CO 0.07 0.64 0.05 0.44 0.09 0.00 0.00 178.44 179.73 3hx7 h ASP 113 N 0.45 0.59 -0.37 -0.43 3.45 -1.02 -1.18 116.42 117.93 3hx7 h ASP 113 Ca 0.08 -0.26 -0.08 0.00 0.43 0.00 0.00 57.03 57.19 3hx7 h ASP 113 Cb 0.51 -0.16 -0.02 0.00 -0.56 0.00 0.00 39.33 39.10 3hx7 h ASP 113 CO 0.03 0.71 -0.06 0.25 -1.57 0.00 0.00 179.24 178.60 3hx7 h LEU 114 N 0.45 0.76 -1.19 1.55 5.85 -1.07 -1.19 115.31 120.47 3hx7 h LEU 114 Ca 0.11 -0.20 -0.08 0.00 0.84 0.00 0.00 57.88 58.55 3hx7 h LEU 114 Cb 0.37 -0.20 -0.01 0.00 0.37 0.00 0.00 40.66 41.19 3hx7 h LEU 114 CO 0.01 0.86 -0.28 -0.74 -0.34 0.00 0.00 178.44 177.95 3hx7 h HIS 115 N 0.71 0.23 -0.16 1.25 2.76 -0.90 0.17 115.15 119.21 3hx7 h HIS 115 Ca 0.13 -0.04 -0.07 0.00 -2.20 0.00 0.00 60.37 58.18 3hx7 h HIS 115 Cb 0.52 -0.06 -0.00 0.00 1.55 0.00 0.00 27.41 29.42 3hx7 h HIS 115 CO 0.03 0.47 -0.19 0.00 -1.30 0.00 0.00 177.93 176.94 3hx7 h ALA 116 N 1.53 0.24 -0.48 5.26 0.00 -0.54 -1.89 119.26 123.38 3hx7 h ALA 116 Ca 0.03 -0.35 -0.05 0.00 0.00 0.00 0.00 54.91 54.54 3hx7 h ALA 116 Cb 0.59 -0.05 -0.02 0.00 0.00 0.00 0.00 17.79 18.31 3hx7 h ALA 116 CO 0.04 0.16 0.10 1.25 0.00 0.00 0.00 179.25 180.81 3hx7 h LEU 117 N 0.05 0.68 -1.59 0.00 5.85 -0.93 -1.62 115.31 117.75 3hx7 h LEU 117 Ca 0.02 -0.12 -0.04 0.00 0.84 0.00 0.00 57.88 58.58 3hx7 h LEU 117 Cb 0.74 -0.18 -0.01 0.00 0.37 0.00 0.00 40.66 41.59 3hx7 h LEU 117 CO 0.05 0.68 -0.21 1.23 -0.34 0.00 0.00 178.44 179.85 3hx7 h GLY 118 N 0.91 0.00 1.38 3.75 0.00 -0.48 -2.56 103.07 106.07 3hx7 h GLY 118 Ca 0.16 0.00 -0.29 0.00 0.00 0.00 0.00 47.33 47.19 3hx7 h GLY 118 CO 0.00 0.00 -1.42 1.76 0.00 0.00 0.00 176.54 176.88 3hx7 h SER 119 N 0.00 0.38 0.15 0.19 0.02 -0.50 0.36 113.55 114.14 3hx7 h SER 119 Ca -0.00 -0.48 -0.06 0.00 -0.84 0.00 0.00 61.79 60.41 3hx7 h SER 119 Cb 0.48 -0.12 -0.01 0.00 0.14 0.00 0.00 62.40 62.89 3hx7 h SER 119 CO 0.03 1.39 -0.23 0.00 -1.14 0.00 0.00 176.83 176.88 3hx7 h ALA 120 N 0.55 1.45 -0.56 3.77 0.00 -1.03 -1.55 119.26 121.88 3hx7 h ALA 120 Ca -0.20 -0.26 0.00 0.00 0.00 0.00 0.00 54.91 54.45 3hx7 h ALA 120 Cb 1.99 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 19.71 3hx7 h ALA 120 CO 0.17 0.39 0.00 0.54 0.00 0.00 0.00 179.25 180.36 3hx7 n ARG 121 N -4.21 4.61 -3.97 0.00 5.12 -0.99 -4.96 116.66 112.27 3hx7 n ARG 121 Ca -0.01 -3.00 -0.37 0.00 -1.93 0.00 0.00 57.85 52.54 3hx7 n ARG 121 Cb 0.32 -2.19 0.01 0.00 -1.16 0.00 0.00 32.46 29.45 3hx7 n ARG 121 CO 0.00 0.00 0.00 0.25 -1.93 0.00 0.00 177.63 175.95 3hx7 n THR 122 N 0.67 -2.28 -3.72 0.55 -2.24 -0.58 -4.91 114.28 101.76 3hx7 n THR 122 Ca 0.26 -0.42 -0.36 0.00 -2.27 0.00 0.00 64.05 61.27 3hx7 n THR 122 Cb 1.12 -1.96 -0.09 0.00 -2.10 0.00 0.00 70.33 67.30 3hx7 n THR 122 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 3hx7 s ASP 123 N -3.60 5.29 0.31 3.42 -1.08 0.11 -4.97 116.67 116.15 3hx7 s ASP 123 Ca 0.35 -3.08 -0.01 0.00 -0.52 0.00 0.00 52.55 49.29 3hx7 s ASP 123 Cb -0.20 -1.84 0.48 0.00 -1.46 0.00 0.00 42.92 39.90 3hx7 s ASP 123 CO 0.82 -0.31 1.93 1.55 0.52 0.00 0.00 175.17 179.68 3hx7 h PRO 124 N 6.72 0.94 -0.55 4.34 0.13 -1.91 -2.80 132.00 138.87 3hx7 h PRO 124 Ca 0.02 -0.10 -0.03 0.00 -0.87 0.00 0.00 66.00 65.02 3hx7 h PRO 124 Cb 0.91 -0.19 -0.02 0.00 0.13 0.00 0.00 31.00 31.83 3hx7 h PRO 124 CO 0.73 0.69 0.23 1.25 -0.23 0.00 0.00 178.00 180.67 3hx7 h HIS 125 N 0.94 0.83 -0.34 1.56 2.76 -1.96 -1.58 115.15 117.36 3hx7 h HIS 125 Ca 0.24 -0.06 -0.05 0.00 -2.20 0.00 0.00 60.37 58.30 3hx7 h HIS 125 Cb 0.02 -0.25 -0.01 0.00 1.55 0.00 0.00 27.41 28.72 3hx7 h HIS 125 CO 0.01 0.67 0.01 1.25 -1.30 0.00 0.00 177.93 178.56 3hx7 h LEU 126 N 0.75 0.59 -0.63 0.26 5.85 -1.93 -0.42 115.31 119.78 3hx7 h LEU 126 Ca 0.19 -0.30 -0.00 0.00 0.84 0.00 0.00 57.88 58.60 3hx7 h LEU 126 Cb 0.18 -0.16 -0.03 0.00 0.37 0.00 0.00 40.66 41.02 3hx7 h LEU 126 CO -0.02 0.74 0.39 0.00 -0.34 0.00 0.00 178.44 179.22 3hx7 h ASP 128 N 0.86 0.01 0.53 0.00 3.58 -1.20 -0.56 116.42 119.63 3hx7 h ASP 128 Ca 0.23 -0.00 -0.02 0.00 0.42 0.00 0.00 57.03 57.65 3hx7 h ASP 128 Cb -0.04 -0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.01 3hx7 h ASP 128 CO -0.04 0.53 -0.28 0.15 -2.88 0.00 0.00 179.24 176.71 3hx7 h PHE 129 N 0.00 -0.73 -0.70 0.28 3.04 -0.23 0.62 116.94 119.23 3hx7 h PHE 129 Ca -0.00 -0.01 -0.04 0.00 3.98 0.00 0.00 57.97 61.89 3hx7 h PHE 129 Cb 0.92 0.25 -0.03 0.00 2.56 0.00 0.00 35.95 39.65 3hx7 h PHE 129 CO 0.00 -0.44 0.29 -0.07 -2.02 0.00 0.00 178.31 176.07 3hx7 h LEU 130 N -0.75 0.96 -1.35 0.59 3.38 -1.21 -1.86 115.31 115.06 3hx7 h LEU 130 Ca -0.07 -0.16 -0.01 0.00 0.09 0.00 0.00 57.88 57.73 3hx7 h LEU 130 Cb 0.59 -0.25 -0.03 0.00 0.09 0.00 0.00 40.66 41.06 3hx7 h LEU 130 CO 0.10 0.86 0.26 -0.33 0.09 0.00 0.00 178.44 179.42 3hx7 h GLU 131 N 1.00 0.70 0.07 1.13 5.08 -0.89 -0.39 114.58 121.27 3hx7 h GLU 131 Ca 0.24 -0.07 -0.29 0.00 -1.00 0.00 0.00 59.36 58.23 3hx7 h GLU 131 Cb 0.19 -0.14 -0.02 0.00 0.50 0.00 0.00 28.75 29.28 3hx7 h GLU 131 CO -0.02 0.53 -1.54 1.15 -1.00 0.00 0.00 179.01 178.13 3hx7 h THR 132 N 0.71 1.11 0.00 1.13 2.02 -0.48 -3.40 112.91 114.00 3hx7 h THR 132 Ca 0.18 -2.82 0.00 0.00 0.77 0.00 0.00 66.41 64.54 3hx7 h THR 132 Cb 0.05 2.67 0.00 0.00 -1.74 0.00 0.00 68.15 69.13 3hx7 h THR 132 CO -0.03 0.77 -0.55 1.41 0.37 0.00 0.00 175.52 177.49 3hx7 n HIS 133 N -3.35 0.00 -0.02 3.16 8.25 -0.73 -4.93 115.22 117.60 3hx7 n HIS 133 Ca -0.16 0.00 -0.06 0.00 -0.26 0.00 0.00 57.72 57.25 3hx7 n HIS 133 Cb 1.03 -0.03 -0.02 0.00 1.12 0.00 0.00 29.99 32.09 3hx7 n HIS 133 CO 0.00 0.00 0.00 1.19 0.64 0.00 0.00 176.34 178.17 3hx7 n PHE 134 N -1.29 0.00 0.04 4.41 3.72 -0.44 -4.68 117.46 119.22 3hx7 n PHE 134 Ca 0.00 0.00 -0.11 0.00 -0.05 0.00 0.00 57.45 57.29 3hx7 n PHE 134 Cb 0.06 -0.20 -0.04 0.00 -0.94 0.00 0.00 39.48 38.36 3hx7 n PHE 134 CO 0.00 0.00 0.00 -0.07 -0.05 0.00 0.00 176.76 176.64 3hx7 h LEU 135 N -0.22 -0.82 -0.58 4.37 3.38 -1.34 -1.92 115.31 118.18 3hx7 h LEU 135 Ca -0.12 0.12 0.00 0.00 0.09 0.00 0.00 57.88 57.97 3hx7 h LEU 135 Cb 0.92 0.34 0.00 0.00 0.09 0.00 0.00 40.66 42.02 3hx7 h LEU 135 CO -0.07 -0.33 0.00 -0.78 0.09 0.00 0.00 178.44 177.34 3hx7 h ASP 136 N -0.39 0.00 -0.00 -0.43 1.82 -1.84 -2.70 116.42 112.88 3hx7 h ASP 136 Ca 0.07 0.00 -0.03 0.00 -0.39 0.00 0.00 57.03 56.68 3hx7 h ASP 136 Cb 0.50 0.00 0.00 0.00 0.68 0.00 0.00 39.33 40.51 3hx7 h ASP 136 CO -0.27 0.00 -0.13 -0.33 -1.61 0.00 0.00 179.24 176.90 3hx7 h GLU 137 N 0.00 0.09 -0.28 0.28 4.39 -1.71 -2.57 114.58 114.77 3hx7 h GLU 137 Ca 0.00 -0.09 0.03 0.00 0.34 0.00 0.00 59.36 59.64 3hx7 h GLU 137 Cb 0.56 0.03 -0.03 0.00 -0.10 0.00 0.00 28.75 29.21 3hx7 h GLU 137 CO 0.00 0.86 0.09 0.93 -1.16 0.00 0.00 179.01 179.73 3hx7 h GLU 138 N -0.65 0.21 0.21 2.33 4.39 -1.31 -0.05 114.58 119.71 3hx7 h GLU 138 Ca -0.02 -0.01 0.00 0.00 0.34 0.00 0.00 59.36 59.67 3hx7 h GLU 138 Cb 0.91 -0.05 -0.02 0.00 -0.10 0.00 0.00 28.75 29.49 3hx7 h GLU 138 CO 0.03 0.14 -0.20 0.28 -1.16 0.00 0.00 179.01 178.10 3hx7 h VAL 139 N 0.22 0.57 -0.77 3.13 2.07 -1.57 0.37 116.25 120.27 3hx7 h VAL 139 Ca 0.13 0.00 0.07 0.00 0.82 0.00 0.00 66.70 67.71 3hx7 h VAL 139 Cb 0.10 0.57 -0.05 0.00 -1.52 0.00 0.00 31.29 30.39 3hx7 h VAL 139 CO -0.13 0.00 0.51 0.11 0.02 0.00 0.00 177.57 178.07 3hx7 h LYS 140 N -0.44 0.79 -0.11 1.57 1.57 -1.25 -0.20 116.57 118.50 3hx7 h LYS 140 Ca -0.00 -0.05 -0.03 0.00 -1.87 0.00 0.00 60.65 58.70 3hx7 h LYS 140 Cb 0.41 -0.18 -0.00 0.00 0.08 0.00 0.00 32.23 32.53 3hx7 h LYS 140 CO -0.04 0.52 -0.06 1.25 -0.57 0.00 0.00 179.45 180.55 3hx7 h LEU 141 N 0.81 0.24 -0.89 2.94 5.85 -0.25 -1.53 115.31 122.48 3hx7 h LEU 141 Ca 0.33 -0.42 0.03 0.00 0.84 0.00 0.00 57.88 58.66 3hx7 h LEU 141 Cb 0.27 -0.07 -0.05 0.00 0.37 0.00 0.00 40.66 41.18 3hx7 h LEU 141 CO -0.12 0.61 0.58 0.40 -0.34 0.00 0.00 178.44 179.57 3hx7 h ILE 142 N -0.12 1.17 0.17 4.05 2.04 0.43 -0.18 117.51 125.07 3hx7 h ILE 142 Ca 0.02 -0.39 -0.00 0.00 1.00 0.00 0.00 64.86 65.49 3hx7 h ILE 142 Cb 0.52 -0.07 -0.01 0.00 -0.74 0.00 0.00 36.82 36.52 3hx7 h ILE 142 CO 0.02 0.21 -0.13 0.50 0.00 0.00 0.00 178.15 178.75 3hx7 h LYS 143 N 1.14 -0.29 -0.93 2.37 1.63 -0.98 -0.13 116.57 119.38 3hx7 h LYS 143 Ca 0.35 0.02 0.14 0.00 -0.85 0.00 0.00 60.65 60.30 3hx7 h LYS 143 Cb -0.04 0.07 -0.09 0.00 -0.60 0.00 0.00 32.23 31.57 3hx7 h LYS 143 CO -0.10 -0.20 0.54 -0.22 -3.45 0.00 0.00 179.45 176.03 3hx7 h LYS 144 N -0.30 0.79 -0.39 1.90 3.64 -0.47 0.79 116.57 122.52 3hx7 h LYS 144 Ca -0.01 -0.05 -0.11 0.00 -1.27 0.00 0.00 60.65 59.21 3hx7 h LYS 144 Cb 0.27 -0.18 -0.01 0.00 -0.41 0.00 0.00 32.23 31.90 3hx7 h LYS 144 CO -0.01 0.52 -0.21 0.52 -2.27 0.00 0.00 179.45 178.00 3hx7 h MET 145 N 0.81 0.77 0.10 1.90 2.86 -0.45 -2.47 114.93 118.45 3hx7 h MET 145 Ca 0.48 -0.30 -0.00 0.00 -2.06 0.00 0.00 59.70 57.82 3hx7 h MET 145 Cb 0.58 -0.04 0.00 0.00 0.06 0.00 0.00 31.60 32.21 3hx7 h MET 145 CO -0.31 0.91 -0.05 0.78 1.06 0.00 0.00 176.91 179.31 3hx7 h GLY 146 N 0.97 -0.14 0.61 8.32 0.00 0.99 -1.06 103.07 112.75 3hx7 h GLY 146 Ca 0.10 0.05 0.13 0.00 0.00 0.00 0.00 47.33 47.61 3hx7 h GLY 146 CO 0.06 -0.05 0.56 -0.55 0.00 0.00 0.00 176.54 176.55 3hx7 h ASP 147 N -0.15 0.64 0.53 0.19 5.19 -1.20 0.89 116.42 122.51 3hx7 h ASP 147 Ca -0.01 0.03 -0.03 0.00 -0.62 0.00 0.00 57.03 56.40 3hx7 h ASP 147 Cb 0.11 -0.10 0.01 0.00 0.18 0.00 0.00 39.33 39.53 3hx7 h ASP 147 CO 0.02 0.34 -0.25 0.45 -3.12 0.00 0.00 179.24 176.68 3hx7 h HIS 148 N 0.69 -0.66 -0.78 4.55 3.86 -0.90 -0.34 115.15 121.58 3hx7 h HIS 148 Ca 0.42 -0.02 0.15 0.00 -1.16 0.00 0.00 60.37 59.77 3hx7 h HIS 148 Cb 0.66 0.22 -0.10 0.00 1.06 0.00 0.00 27.41 29.25 3hx7 h HIS 148 CO -0.00 -0.34 0.32 -0.07 0.86 0.00 0.00 177.93 178.70 3hx7 h LEU 149 N -0.91 0.31 0.24 2.43 3.38 -0.56 0.42 115.31 120.62 3hx7 h LEU 149 Ca -0.07 0.11 0.00 0.00 0.09 0.00 0.00 57.88 58.01 3hx7 h LEU 149 Cb 0.61 0.08 -0.02 0.00 0.09 0.00 0.00 40.66 41.42 3hx7 h LEU 149 CO 0.12 0.11 -0.27 0.74 0.09 0.00 0.00 178.44 179.23 3hx7 h THR 150 N 0.46 0.42 0.00 0.22 2.02 -0.67 -0.67 112.91 114.70 3hx7 h THR 150 Ca 0.43 0.00 -0.07 0.00 0.77 0.00 0.00 66.41 67.54 3hx7 h THR 150 Cb 0.67 0.42 -0.01 0.00 -1.74 0.00 0.00 68.15 67.49 3hx7 h THR 150 CO -0.41 0.00 -0.34 0.78 0.37 0.00 0.00 175.52 175.92 3hx7 h ASN 151 N -0.55 0.00 0.04 4.18 2.35 0.03 -2.33 115.58 119.29 3hx7 h ASN 151 Ca -0.00 0.00 -0.18 0.00 -0.55 0.00 0.00 56.30 55.57 3hx7 h ASN 151 Cb 0.52 0.00 -0.00 0.00 0.05 0.00 0.00 38.32 38.89 3hx7 h ASN 151 CO -0.07 0.34 -0.64 -0.07 -1.65 0.00 0.00 177.43 175.33 3hx7 h LEU 152 N 0.00 0.66 -0.57 1.61 3.38 0.18 -3.04 115.31 117.53 3hx7 h LEU 152 Ca -0.00 -0.39 -0.16 0.00 0.09 0.00 0.00 57.88 57.42 3hx7 h LEU 152 Cb 0.64 -0.19 -0.01 0.00 0.09 0.00 0.00 40.66 41.18 3hx7 h LEU 152 CO 0.04 1.13 -0.69 -0.74 0.09 0.00 0.00 178.44 178.28 3hx7 h HIS 153 N 0.42 0.22 0.00 1.13 2.76 -1.01 -2.83 115.15 115.84 3hx7 h HIS 153 Ca -0.01 -0.09 0.00 0.00 -2.20 0.00 0.00 60.37 58.06 3hx7 h HIS 153 Cb 1.22 -0.03 0.00 0.00 1.55 0.00 0.00 27.41 30.14 3hx7 h HIS 153 CO 0.05 0.79 0.00 -0.09 -1.30 0.00 0.00 177.93 177.39 3hx7 h ARG 154 N 0.11 0.00 -5.61 5.26 2.43 -1.31 -3.38 114.38 111.88 3hx7 h ARG 154 Ca -0.02 0.00 -0.64 0.00 -0.81 0.00 0.00 59.98 58.52 3hx7 h ARG 154 Cb 1.22 0.00 -0.14 0.00 -0.42 0.00 0.00 29.97 30.63 3hx7 h ARG 154 CO 0.10 0.00 0.28 -1.17 -1.51 0.00 0.00 179.97 177.67 3hx7 s LEU 155 N -5.04 4.37 0.00 3.80 2.96 -1.07 -4.35 118.68 119.35 3hx7 s LEU 155 Ca -0.01 -0.27 0.00 0.00 -0.22 0.00 0.00 54.13 53.64 3hx7 s LEU 155 Cb 0.09 -2.84 0.00 0.00 0.50 0.00 0.00 46.19 43.94 3hx7 s LEU 155 CO 0.33 -0.90 0.00 0.61 -1.32 0.00 0.00 176.35 175.07 3hx7 n GLY 156 N 5.03 0.03 0.00 7.98 0.00 -1.26 -5.00 105.19 111.97 3hx7 n GLY 156 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 3hx7 n GLY 156 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3hx7 n GLY 157 N 0.00 -0.77 0.17 -0.02 0.00 -1.26 -5.03 105.19 98.27 3hx7 n GLY 157 Ca 0.00 -0.24 -0.13 0.00 0.00 0.00 0.00 46.02 45.65 3hx7 n GLY 157 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 3hx7 h PRO 158 N 0.00 -0.32 -3.57 1.61 0.13 -2.01 -3.34 132.00 124.51 3hx7 h PRO 158 Ca 0.00 0.02 -0.51 0.00 -0.87 0.00 0.00 66.00 64.64 3hx7 h PRO 158 Cb 0.00 0.07 0.02 0.00 0.13 0.00 0.00 31.00 31.22 3hx7 h PRO 158 CO 0.00 -0.03 2.86 0.39 -0.23 0.00 0.00 178.00 180.99 3hx7 n GLU 159 N -5.12 2.38 0.00 0.86 1.02 -1.26 -5.15 120.64 113.37 3hx7 n GLU 159 Ca -0.09 -1.76 0.11 0.00 -0.02 0.00 0.00 57.16 55.40 3hx7 n GLU 159 Cb 0.23 -2.67 0.10 0.00 -0.02 0.00 0.00 31.44 29.08 3hx7 n GLU 159 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31