#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 3.76 0.48 5.56 -1.94 -1.26 -5.07 119.30 120.82 3hx7 s MET 1 Ca 0.00 -0.23 -0.23 0.00 -1.71 0.00 0.00 55.69 53.52 3hx7 s MET 1 Cb 0.00 -3.74 -0.07 0.00 2.01 0.00 0.00 34.83 33.03 3hx7 s MET 1 CO 0.00 -0.42 1.27 0.45 -0.01 0.00 0.00 175.02 176.31 3hx7 s SER 2 N 1.71 5.89 0.88 3.03 0.15 -1.26 -5.03 113.70 119.07 3hx7 s SER 2 Ca 0.13 2.56 -0.11 0.00 0.70 0.00 0.00 55.95 59.23 3hx7 s SER 2 Cb -0.16 -2.62 0.12 0.00 -1.71 0.00 0.00 66.02 61.65 3hx7 s SER 2 CO 0.11 -1.13 1.09 -0.94 1.20 0.00 0.00 173.24 173.57 3hx7 s SER 3 N -1.05 3.55 0.42 5.45 1.04 -1.26 -4.96 113.70 116.88 3hx7 s SER 3 Ca 0.65 1.56 0.23 0.00 0.48 0.00 0.00 55.95 58.86 3hx7 s SER 3 Cb -0.35 -2.23 0.82 0.00 0.10 0.00 0.00 66.02 64.36 3hx7 s SER 3 CO 0.43 -2.60 1.79 0.06 0.98 0.00 0.00 173.24 173.89 3hx7 h GLN 4 N -1.52 0.00 0.00 4.02 3.07 -1.95 -3.18 115.11 115.55 3hx7 h GLN 4 Ca -0.49 0.00 0.00 0.00 0.09 0.00 0.00 58.65 58.25 3hx7 h GLN 4 Cb 1.28 0.00 0.00 0.00 0.08 0.00 0.00 27.48 28.84 3hx7 h GLN 4 CO 0.54 0.26 -1.52 0.44 0.09 0.00 0.00 178.83 178.64 3hx7 n ILE 5 N -3.39 0.19 -1.64 1.86 -5.35 -1.26 -4.97 119.36 104.80 3hx7 n ILE 5 Ca 0.00 -0.44 -0.48 0.00 -0.27 0.00 0.00 62.75 61.56 3hx7 n ILE 5 Cb 0.46 0.00 -0.04 0.00 -1.74 0.00 0.00 39.64 38.32 3hx7 n ILE 5 CO 0.00 0.00 0.00 -1.14 -1.76 0.00 0.00 176.55 173.65 3hx7 n ARG 6 N -2.28 1.82 -3.34 6.28 0.63 -1.20 -4.85 116.66 113.72 3hx7 n ARG 6 Ca -0.02 0.65 0.02 0.00 -0.92 0.00 0.00 57.85 57.59 3hx7 n ARG 6 Cb 0.53 -2.36 -0.02 0.00 0.45 0.00 0.00 32.46 31.05 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 0.58 0.52 -0.62 -0.14 0.74 -1.26 -4.94 119.66 114.53 3hx7 s GLN 7 Ca 0.79 1.08 -0.04 0.00 0.05 0.00 0.00 55.36 57.24 3hx7 s GLN 7 Cb -0.76 0.63 0.00 0.00 1.10 0.00 0.00 33.01 33.98 3hx7 s GLN 7 CO 0.42 -0.40 0.54 -1.71 -0.55 0.00 0.00 175.29 173.59 3hx7 n ASN 8 N 5.40 -3.97 -3.75 6.67 5.15 -1.26 -5.02 115.26 118.49 3hx7 n ASN 8 Ca -0.06 -0.25 -0.30 0.00 -0.60 0.00 0.00 54.58 53.38 3hx7 n ASN 8 Cb 0.51 -2.57 -0.13 0.00 -0.53 0.00 0.00 39.78 37.06 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 2.13 0.38 1.20 5.04 -1.26 -4.82 117.35 116.86 3hx7 s TYR 9 Ca 0.26 -2.42 -0.26 0.00 -2.44 0.00 0.00 57.07 52.21 3hx7 s TYR 9 Cb -0.12 -1.99 -0.12 0.00 0.35 0.00 0.00 41.96 40.09 3hx7 s TYR 9 CO 0.33 -0.80 1.13 -1.13 -1.34 0.00 0.00 175.55 173.74 3hx7 n SER 10 N 3.72 1.90 0.31 4.32 3.41 -1.26 -4.84 113.62 121.18 3hx7 n SER 10 Ca 0.07 1.12 0.18 0.00 -0.26 0.00 0.00 58.87 59.98 3hx7 n SER 10 Cb 0.36 -1.40 1.01 0.00 -0.26 0.00 0.00 64.21 63.91 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 1.99 0.28 0.43 6.66 1.35 -1.99 -1.46 112.91 120.16 3hx7 h THR 11 Ca -0.45 -0.11 -0.02 0.00 -0.55 0.00 0.00 66.41 65.28 3hx7 h THR 11 Cb 1.32 1.08 0.00 0.00 -1.73 0.00 0.00 68.15 68.82 3hx7 h THR 11 CO 0.60 0.02 -0.21 0.44 -0.25 0.00 0.00 175.52 176.12 3hx7 h ASP 12 N 0.00 -0.49 -0.63 5.36 3.45 -1.99 -1.91 116.42 120.21 3hx7 h ASP 12 Ca -0.00 -0.11 0.05 0.00 0.43 0.00 0.00 57.03 57.40 3hx7 h ASP 12 Cb 0.08 0.13 -0.04 0.00 -0.56 0.00 0.00 39.33 38.94 3hx7 h ASP 12 CO 0.00 -0.09 0.41 0.58 -1.57 0.00 0.00 179.24 178.57 3hx7 h VAL 13 N -0.96 1.04 -0.88 -1.35 2.07 -1.80 0.32 116.25 114.69 3hx7 h VAL 13 Ca -0.06 -0.23 -0.02 0.00 0.82 0.00 0.00 66.70 67.21 3hx7 h VAL 13 Cb 0.56 0.30 -0.04 0.00 -1.52 0.00 0.00 31.29 30.59 3hx7 h VAL 13 CO 0.10 0.12 0.48 -0.08 0.02 0.00 0.00 177.57 178.21 3hx7 h GLU 14 N 0.68 1.24 0.00 1.57 4.81 -1.22 -1.24 114.58 120.43 3hx7 h GLU 14 Ca 0.26 -0.15 -0.21 0.00 -0.13 0.00 0.00 59.36 59.14 3hx7 h GLU 14 Cb 0.17 -0.24 -0.03 0.00 0.63 0.00 0.00 28.75 29.29 3hx7 h GLU 14 CO -0.08 0.91 -0.98 0.00 -0.73 0.00 0.00 179.01 178.13 3hx7 h ALA 15 N 1.26 0.38 -0.46 2.92 0.00 -0.35 -2.90 119.26 120.11 3hx7 h ALA 15 Ca 0.31 -0.89 -0.08 0.00 0.00 0.00 0.00 54.91 54.25 3hx7 h ALA 15 Cb 0.04 -0.15 -0.02 0.00 0.00 0.00 0.00 17.79 17.66 3hx7 h ALA 15 CO -0.05 1.21 -0.02 0.00 0.00 0.00 0.00 179.25 180.38 3hx7 h ALA 16 N 1.01 0.62 -0.57 0.00 0.00 -0.71 -1.22 119.26 118.39 3hx7 h ALA 16 Ca -0.01 -0.29 0.00 0.00 0.00 0.00 0.00 54.91 54.61 3hx7 h ALA 16 Cb 1.73 -0.17 -0.03 0.00 0.00 0.00 0.00 17.79 19.33 3hx7 h ALA 16 CO 0.13 0.44 0.37 0.28 0.00 0.00 0.00 179.25 180.48 3hx7 h VAL 17 N 0.68 1.15 -0.42 0.00 2.07 -1.25 0.47 116.25 118.95 3hx7 h VAL 17 Ca 0.13 -0.30 -0.02 0.00 0.82 0.00 0.00 66.70 67.33 3hx7 h VAL 17 Cb 0.54 0.32 -0.02 0.00 -1.52 0.00 0.00 31.29 30.61 3hx7 h VAL 17 CO 0.03 0.15 0.16 0.78 0.02 0.00 0.00 177.57 178.71 3hx7 h ASN 18 N 0.78 0.54 0.10 0.57 4.21 -1.28 -0.22 115.58 120.28 3hx7 h ASN 18 Ca 0.21 -0.06 -0.00 0.00 1.21 0.00 0.00 56.30 57.66 3hx7 h ASN 18 Cb -0.07 -0.14 0.00 0.00 -1.12 0.00 0.00 38.32 36.99 3hx7 h ASN 18 CO -0.04 0.50 -0.05 -1.28 -1.29 0.00 0.00 177.43 175.27 3hx7 h SER 19 N 0.59 -0.11 -0.01 5.81 0.87 -0.09 -2.85 113.55 117.75 3hx7 h SER 19 Ca 0.14 -0.39 0.00 0.00 -1.23 0.00 0.00 61.79 60.32 3hx7 h SER 19 Cb 0.13 0.03 -0.00 0.00 -0.44 0.00 0.00 62.40 62.12 3hx7 h SER 19 CO -0.01 0.36 0.03 0.25 -0.53 0.00 0.00 176.83 176.92 3hx7 h LEU 20 N -0.62 0.00 -0.03 2.23 5.85 0.27 -0.93 115.31 122.08 3hx7 h LEU 20 Ca -0.01 0.00 -0.26 0.00 0.84 0.00 0.00 57.88 58.45 3hx7 h LEU 20 Cb 0.50 0.00 0.02 0.00 0.37 0.00 0.00 40.66 41.54 3hx7 h LEU 20 CO 0.02 0.00 -1.04 0.58 -0.34 0.00 0.00 178.44 177.67 3hx7 h VAL 21 N 0.00 1.31 0.00 1.05 2.07 -0.92 -2.16 116.25 117.59 3hx7 h VAL 21 Ca 0.01 -2.31 -0.14 0.00 0.82 0.00 0.00 66.70 65.08 3hx7 h VAL 21 Cb 0.07 2.41 -0.02 0.00 -1.52 0.00 0.00 31.29 32.23 3hx7 h VAL 21 CO -0.00 0.71 -0.66 -1.13 0.02 0.00 0.00 177.57 176.51 3hx7 h ASN 22 N 0.35 0.00 -0.39 0.57 -0.73 -0.98 -1.59 115.58 112.81 3hx7 h ASN 22 Ca -0.12 0.00 -0.05 0.00 1.87 0.00 0.00 56.30 58.00 3hx7 h ASN 22 Cb 1.69 0.00 -0.01 0.00 0.27 0.00 0.00 38.32 40.26 3hx7 h ASN 22 CO 0.20 0.66 0.05 0.25 -0.37 0.00 0.00 177.43 178.22 3hx7 h LEU 23 N 0.00 0.63 -0.92 0.34 5.85 -1.18 -0.62 115.31 119.41 3hx7 h LEU 23 Ca -0.01 -0.27 -0.11 0.00 0.84 0.00 0.00 57.88 58.33 3hx7 h LEU 23 Cb 1.18 -0.17 -0.02 0.00 0.37 0.00 0.00 40.66 42.03 3hx7 h LEU 23 CO 0.09 0.74 -0.52 1.88 -0.34 0.00 0.00 178.44 180.28 3hx7 h TYR 24 N 0.49 0.06 -0.76 1.25 -1.99 -1.29 0.68 116.97 115.42 3hx7 h TYR 24 Ca 0.12 -0.02 -0.05 0.00 2.00 0.00 0.00 58.73 60.78 3hx7 h TYR 24 Cb 0.39 -0.01 -0.03 0.00 2.00 0.00 0.00 36.73 39.07 3hx7 h TYR 24 CO 0.03 0.56 0.28 -0.07 -0.00 0.00 0.00 178.16 178.96 3hx7 h LEU 25 N 0.04 1.06 -0.16 3.88 3.38 -0.75 -0.25 115.31 122.51 3hx7 h LEU 25 Ca -0.00 -0.17 -0.04 0.00 0.09 0.00 0.00 57.88 57.76 3hx7 h LEU 25 Cb 0.94 -0.28 -0.00 0.00 0.09 0.00 0.00 40.66 41.41 3hx7 h LEU 25 CO 0.07 0.95 -0.04 -0.61 0.09 0.00 0.00 178.44 178.90 3hx7 h GLN 26 N 1.11 0.31 -0.91 1.13 4.15 -0.74 -1.89 115.11 118.27 3hx7 h GLN 26 Ca 0.25 -0.12 0.08 0.00 0.77 0.00 0.00 58.65 59.63 3hx7 h GLN 26 Cb 0.24 -0.02 -0.07 0.00 0.21 0.00 0.00 27.48 27.85 3hx7 h GLN 26 CO -0.02 0.59 0.57 0.00 -1.93 0.00 0.00 178.83 178.04 3hx7 h ALA 27 N 0.71 1.29 -0.05 3.38 0.00 -0.47 -0.51 119.26 123.62 3hx7 h ALA 27 Ca 0.04 0.00 -0.00 0.00 0.00 0.00 0.00 54.91 54.95 3hx7 h ALA 27 Cb 0.48 -0.22 -0.00 0.00 0.00 0.00 0.00 17.79 18.04 3hx7 h ALA 27 CO 0.02 0.27 0.02 1.03 0.00 0.00 0.00 179.25 180.58 3hx7 h SER 28 N 0.98 0.06 -1.01 0.00 0.87 -0.89 -1.63 113.55 111.94 3hx7 h SER 28 Ca 0.42 -0.12 0.06 0.00 -1.23 0.00 0.00 61.79 60.91 3hx7 h SER 28 Cb 0.28 -0.02 -0.07 0.00 -0.44 0.00 0.00 62.40 62.15 3hx7 h SER 28 CO -0.21 0.17 0.65 0.22 -0.53 0.00 0.00 176.83 177.13 3hx7 h TYR 29 N -0.05 1.21 -0.24 2.24 3.20 -0.56 -0.99 116.97 121.78 3hx7 h TYR 29 Ca 0.02 0.03 -0.06 0.00 3.14 0.00 0.00 58.73 61.86 3hx7 h TYR 29 Cb 0.12 -0.40 -0.01 0.00 1.54 0.00 0.00 36.73 37.99 3hx7 h TYR 29 CO -0.03 0.64 -0.07 1.15 -1.64 0.00 0.00 178.16 178.21 3hx7 h THR 30 N 1.20 1.29 0.00 1.81 2.02 -0.89 -2.49 112.91 115.85 3hx7 h THR 30 Ca 0.43 -1.09 0.00 0.00 0.77 0.00 0.00 66.41 66.52 3hx7 h THR 30 Cb 0.13 1.50 0.00 0.00 -1.74 0.00 0.00 68.15 68.04 3hx7 h THR 30 CO -0.16 0.34 0.00 1.88 0.37 0.00 0.00 175.52 177.94 3hx7 h TYR 31 N 0.21 0.00 0.10 3.16 0.05 -0.78 -1.15 116.97 118.56 3hx7 h TYR 31 Ca 0.06 0.00 -0.26 0.00 0.05 0.00 0.00 58.73 58.58 3hx7 h TYR 31 Cb 0.54 0.00 -0.00 0.00 1.01 0.00 0.00 36.73 38.28 3hx7 h TYR 31 CO 0.05 0.00 -1.19 1.25 -1.05 0.00 0.00 178.16 177.22 3hx7 h LEU 32 N 0.00 0.33 -0.19 3.88 5.85 -0.78 -2.47 115.31 121.93 3hx7 h LEU 32 Ca 0.00 -0.35 -0.17 0.00 0.84 0.00 0.00 57.88 58.20 3hx7 h LEU 32 Cb 0.30 -0.11 0.00 0.00 0.37 0.00 0.00 40.66 41.22 3hx7 h LEU 32 CO 0.00 1.28 -0.55 -1.28 -0.34 0.00 0.00 178.44 177.55 3hx7 h SER 33 N 0.06 0.81 -0.01 1.25 0.87 -0.84 -2.92 113.55 112.77 3hx7 h SER 33 Ca -0.11 -0.59 0.02 0.00 -1.23 0.00 0.00 61.79 59.89 3hx7 h SER 33 Cb 1.93 -0.23 -0.02 0.00 -0.44 0.00 0.00 62.40 63.63 3hx7 h SER 33 CO 0.19 1.25 -0.10 -0.07 -0.53 0.00 0.00 176.83 177.57 3hx7 h LEU 34 N 0.41 -0.29 -0.53 2.23 3.38 -1.35 -1.92 115.31 117.24 3hx7 h LEU 34 Ca -0.02 0.05 0.05 0.00 0.09 0.00 0.00 57.88 58.05 3hx7 h LEU 34 Cb 1.17 0.13 -0.05 0.00 0.09 0.00 0.00 40.66 41.99 3hx7 h LEU 34 CO 0.12 -0.14 0.25 1.23 0.09 0.00 0.00 178.44 179.99 3hx7 h GLY 35 N -0.16 0.74 1.47 0.83 0.00 -1.47 -1.00 103.07 103.48 3hx7 h GLY 35 Ca 0.04 -0.17 0.00 0.00 0.00 0.00 0.00 47.33 47.21 3hx7 h GLY 35 CO -0.11 0.09 0.00 0.69 0.00 0.00 0.00 176.54 177.21 3hx7 n PHE 36 N -4.90 0.00 -0.06 5.60 3.01 -1.10 -3.19 117.46 116.81 3hx7 n PHE 36 Ca 0.05 0.00 -0.12 0.00 1.01 0.00 0.00 57.45 58.39 3hx7 n PHE 36 Cb 0.16 -0.24 -0.11 0.00 -0.01 0.00 0.00 39.48 39.28 3hx7 n PHE 36 CO 0.00 0.00 0.00 -0.92 1.01 0.00 0.00 176.76 176.85 3hx7 h TYR 37 N 0.00 -0.01 0.00 1.38 3.20 -0.36 -3.22 116.97 117.96 3hx7 h TYR 37 Ca 0.00 -0.00 0.00 0.00 3.14 0.00 0.00 58.73 61.87 3hx7 h TYR 37 Cb 0.23 0.00 0.00 0.00 1.54 0.00 0.00 36.73 38.50 3hx7 h TYR 37 CO 0.00 0.82 0.00 1.19 -1.64 0.00 0.00 178.16 178.53 3hx7 n PHE 38 N -4.65 0.00 0.53 -3.82 3.72 -1.05 -1.29 117.46 110.90 3hx7 n PHE 38 Ca -0.09 0.00 0.07 0.00 -0.05 0.00 0.00 57.45 57.38 3hx7 n PHE 38 Cb 0.40 0.00 -0.09 0.00 -0.94 0.00 0.00 39.48 38.85 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 -0.56 0.86 -4.76 4.37 -0.08 -1.20 -1.65 116.55 113.52 3hx7 n ASP 39 Ca 0.02 -0.67 -0.39 0.00 -1.51 0.00 0.00 54.79 52.23 3hx7 n ASP 39 Cb 0.01 1.13 0.02 0.00 2.34 0.00 0.00 41.12 44.62 3hx7 n ASP 39 CO 0.00 0.00 0.00 -0.13 0.12 0.00 0.00 177.20 177.19 3hx7 s ARG 40 N -2.45 3.53 0.49 -0.67 0.52 -0.41 -4.73 118.95 115.23 3hx7 s ARG 40 Ca 0.03 2.34 0.14 0.00 -0.52 0.00 0.00 55.73 57.72 3hx7 s ARG 40 Cb 0.10 -2.53 1.17 0.00 0.52 0.00 0.00 34.95 34.21 3hx7 s ARG 40 CO 0.58 -0.91 2.11 0.38 0.02 0.00 0.00 175.30 177.47 3hx7 h ASP 41 N 2.06 0.14 -0.20 0.23 -0.00 -1.93 0.37 116.42 117.08 3hx7 h ASP 41 Ca -0.51 -0.00 0.00 0.00 -0.00 0.00 0.00 57.03 56.52 3hx7 h ASP 41 Cb 1.28 -0.03 0.00 0.00 -0.00 0.00 0.00 39.33 40.57 3hx7 h ASP 41 CO 0.60 0.10 0.00 -0.90 -0.00 0.00 0.00 179.24 179.04 3hx7 n ASP 42 N -4.51 1.93 0.00 4.15 3.85 -1.26 -3.94 116.55 116.77 3hx7 n ASP 42 Ca 0.00 -2.16 0.00 0.00 -0.71 0.00 0.00 54.79 51.92 3hx7 n ASP 42 Cb 0.14 -0.38 0.00 0.00 -1.35 0.00 0.00 41.12 39.53 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 0.19 0.00 -3.75 2.12 0.31 -0.66 -5.09 118.33 111.44 3hx7 n VAL 43 Ca 0.08 0.00 -0.28 0.00 -0.01 0.00 0.00 64.34 64.13 3hx7 n VAL 43 Cb 0.39 -0.63 0.01 0.00 -0.91 0.00 0.00 33.84 32.70 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 -2.50 -2.33 -3.50 3.52 0.00 0.12 -4.93 120.51 110.90 3hx7 n ALA 44 Ca 0.00 -0.34 -0.27 0.00 0.00 0.00 0.00 53.44 52.83 3hx7 n ALA 44 Cb 0.09 -1.23 -0.09 0.00 0.00 0.00 0.00 19.45 18.23 3hx7 n ALA 44 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 3hx7 n LEU 45 N -3.13 2.69 -0.38 0.00 4.77 -0.66 -4.98 117.00 115.32 3hx7 n LEU 45 Ca -0.17 -5.19 -0.02 0.00 -0.03 0.00 0.00 56.01 50.60 3hx7 n LEU 45 Cb 0.49 -0.39 0.02 0.00 -2.33 0.00 0.00 43.42 41.21 3hx7 n LEU 45 CO 0.53 1.97 0.58 -0.08 -1.33 0.00 0.00 177.39 179.06 3hx7 h GLU 46 N 4.55 -0.01 -0.88 3.23 4.81 -1.92 0.10 114.58 124.45 3hx7 h GLU 46 Ca 0.17 0.00 0.16 0.00 -0.13 0.00 0.00 59.36 59.56 3hx7 h GLU 46 Cb 0.74 0.00 -0.07 0.00 0.63 0.00 0.00 28.75 30.05 3hx7 h GLU 46 CO 0.71 -0.01 0.57 0.78 -0.73 0.00 0.00 179.01 180.34 3hx7 h GLY 47 N -0.01 1.12 1.87 1.92 0.00 -1.93 0.18 103.07 106.22 3hx7 h GLY 47 Ca 0.32 -0.27 -0.22 0.00 0.00 0.00 0.00 47.33 47.16 3hx7 h GLY 47 CO -0.97 0.06 -1.04 -2.08 0.00 0.00 0.00 176.54 172.51 3hx7 h VAL 48 N 0.61 1.62 0.02 4.60 2.07 -1.22 -2.61 116.25 121.33 3hx7 h VAL 48 Ca 0.45 -3.17 -0.00 0.00 0.82 0.00 0.00 66.70 64.80 3hx7 h VAL 48 Cb 0.83 2.80 0.00 0.00 -1.52 0.00 0.00 31.29 33.40 3hx7 h VAL 48 CO -0.20 0.91 -0.01 -1.28 0.02 0.00 0.00 177.57 177.01 3hx7 h SER 49 N 0.03 -0.02 -0.17 0.57 0.87 0.39 -2.51 113.55 112.72 3hx7 h SER 49 Ca -0.05 -0.23 0.05 0.00 -1.23 0.00 0.00 61.79 60.32 3hx7 h SER 49 Cb 1.77 0.00 -0.05 0.00 -0.44 0.00 0.00 62.40 63.68 3hx7 h SER 49 CO 0.15 0.22 -0.12 -0.74 -0.53 0.00 0.00 176.83 175.81 3hx7 h HIS 50 N -0.26 -0.30 -0.97 2.24 6.17 -0.80 -0.55 115.15 120.68 3hx7 h HIS 50 Ca -0.00 0.02 0.13 0.00 0.71 0.00 0.00 60.37 61.23 3hx7 h HIS 50 Cb 0.25 0.16 -0.08 0.00 2.52 0.00 0.00 27.41 30.26 3hx7 h HIS 50 CO 0.01 -0.18 0.61 0.35 0.71 0.00 0.00 177.93 179.42 3hx7 h PHE 51 N -0.12 1.04 0.02 5.26 3.57 -1.37 0.09 116.94 125.43 3hx7 h PHE 51 Ca 0.10 0.03 -0.21 0.00 3.53 0.00 0.00 57.97 61.42 3hx7 h PHE 51 Cb 0.28 -0.33 -0.02 0.00 2.79 0.00 0.00 35.95 38.67 3hx7 h PHE 51 CO -0.26 0.40 -0.98 0.74 -2.23 0.00 0.00 178.31 175.98 3hx7 h PHE 52 N 0.89 0.12 0.00 0.41 0.05 -0.93 -3.06 116.94 114.43 3hx7 h PHE 52 Ca 0.48 -0.08 -0.07 0.00 3.82 0.00 0.00 57.97 62.12 3hx7 h PHE 52 Cb 0.57 -0.01 -0.01 0.00 2.00 0.00 0.00 35.95 38.50 3hx7 h PHE 52 CO -0.00 1.00 -0.34 0.00 -0.18 0.00 0.00 178.31 178.79 3hx7 h ARG 53 N 0.03 0.00 -0.23 1.51 3.08 0.19 -1.47 114.38 117.49 3hx7 h ARG 53 Ca -0.03 0.00 -0.17 0.00 0.07 0.00 0.00 59.98 59.85 3hx7 h ARG 53 Cb 1.69 0.00 -0.00 0.00 0.08 0.00 0.00 29.97 31.73 3hx7 h ARG 53 CO 0.14 0.34 -0.53 0.93 -1.07 0.00 0.00 179.97 179.77 3hx7 h GLU 54 N 0.00 0.67 -0.06 0.04 5.08 -1.01 -2.81 114.58 116.49 3hx7 h GLU 54 Ca -0.00 -0.41 -0.13 0.00 -1.00 0.00 0.00 59.36 57.81 3hx7 h GLU 54 Cb 0.73 0.04 -0.01 0.00 0.50 0.00 0.00 28.75 30.02 3hx7 h GLU 54 CO 0.04 1.03 -0.57 -0.07 -1.00 0.00 0.00 179.01 178.45 3hx7 h LEU 55 N 0.52 0.21 -1.04 1.33 3.38 -1.35 -1.01 115.31 117.35 3hx7 h LEU 55 Ca 0.01 -0.11 0.02 0.00 0.09 0.00 0.00 57.88 57.89 3hx7 h LEU 55 Cb 1.10 -0.06 -0.05 0.00 0.09 0.00 0.00 40.66 41.74 3hx7 h LEU 55 CO 0.11 0.74 0.65 0.00 0.09 0.00 0.00 178.44 180.02 3hx7 h ALA 56 N 1.27 1.32 -0.09 1.53 0.00 -1.12 -0.63 119.26 121.54 3hx7 h ALA 56 Ca -0.00 -0.06 -0.19 0.00 0.00 0.00 0.00 54.91 54.66 3hx7 h ALA 56 Cb 1.05 -0.38 -0.00 0.00 0.00 0.00 0.00 17.79 18.45 3hx7 h ALA 56 CO 0.09 0.62 -0.72 1.49 0.00 0.00 0.00 179.25 180.72 3hx7 h GLU 57 N 1.30 0.45 -0.37 0.00 4.57 -1.21 -2.73 114.58 116.59 3hx7 h GLU 57 Ca 0.37 -0.36 -0.09 0.00 -1.18 0.00 0.00 59.36 58.10 3hx7 h GLU 57 Cb -0.11 0.07 -0.02 0.00 -0.16 0.00 0.00 28.75 28.53 3hx7 h GLU 57 CO -0.09 0.99 -0.13 0.93 -1.18 0.00 0.00 179.01 179.54 3hx7 h GLU 58 N 0.31 0.66 0.00 1.92 5.08 -0.39 -1.68 114.58 120.48 3hx7 h GLU 58 Ca -0.03 -0.21 -0.06 0.00 -1.00 0.00 0.00 59.36 58.06 3hx7 h GLU 58 Cb 1.30 -0.06 -0.01 0.00 0.50 0.00 0.00 28.75 30.49 3hx7 h GLU 58 CO 0.13 0.77 -0.28 0.87 -1.00 0.00 0.00 179.01 179.50 3hx7 h LYS 59 N 0.60 0.00 -0.09 2.33 1.79 -1.10 -1.86 116.57 118.23 3hx7 h LYS 59 Ca 0.10 0.00 -0.22 0.00 -2.18 0.00 0.00 60.65 58.35 3hx7 h LYS 59 Cb 0.57 0.00 0.01 0.00 -1.58 0.00 0.00 32.23 31.23 3hx7 h LYS 59 CO 0.04 0.28 -0.82 -0.09 -1.08 0.00 0.00 179.45 177.77 3hx7 h ARG 60 N 0.00 0.63 -0.43 3.15 2.43 -1.09 -2.30 114.38 116.78 3hx7 h ARG 60 Ca -0.00 -0.55 -0.11 0.00 -0.81 0.00 0.00 59.98 58.50 3hx7 h ARG 60 Cb 0.94 0.13 -0.02 0.00 -0.42 0.00 0.00 29.97 30.60 3hx7 h ARG 60 CO 0.04 1.17 -0.19 0.93 -1.51 0.00 0.00 179.97 180.41 3hx7 h GLU 61 N 0.41 0.83 -0.82 0.20 5.08 -1.14 -1.96 114.58 117.19 3hx7 h GLU 61 Ca -0.06 -0.32 -0.04 0.00 -1.00 0.00 0.00 59.36 57.93 3hx7 h GLU 61 Cb 1.44 -0.05 -0.04 0.00 0.50 0.00 0.00 28.75 30.61 3hx7 h GLU 61 CO 0.16 0.95 0.35 0.78 -1.00 0.00 0.00 179.01 180.25 3hx7 h GLY 62 N 0.95 1.29 1.65 -3.84 0.00 -1.24 -1.27 103.07 100.61 3hx7 h GLY 62 Ca 0.11 -0.68 0.00 0.00 0.00 0.00 0.00 47.33 46.75 3hx7 h GLY 62 CO 0.05 0.65 -0.33 0.10 0.00 0.00 0.00 176.54 177.01 3hx7 h TYR 63 N 1.18 0.00 0.00 5.60 -0.00 -1.23 -2.81 116.97 119.71 3hx7 h TYR 63 Ca 0.27 0.00 0.00 0.00 0.00 0.00 0.00 58.73 59.00 3hx7 h TYR 63 Cb 0.19 0.00 0.00 0.00 0.00 0.00 0.00 36.73 36.92 3hx7 h TYR 63 CO 0.02 0.00 -0.29 0.93 -0.00 0.00 0.00 178.16 178.82 3hx7 h GLU 64 N 0.00 0.00 0.01 0.10 5.08 -1.12 -2.69 114.58 115.96 3hx7 h GLU 64 Ca 0.00 0.00 -0.25 0.00 -1.00 0.00 0.00 59.36 58.11 3hx7 h GLU 64 Cb 0.94 0.00 -0.04 0.00 0.50 0.00 0.00 28.75 30.15 3hx7 h GLU 64 CO 0.00 0.00 -1.35 -0.09 -1.00 0.00 0.00 179.01 176.57 3hx7 h ARG 65 N 0.00 0.01 -0.02 2.33 2.43 -1.14 -2.88 114.38 115.10 3hx7 h ARG 65 Ca 0.00 -0.02 -0.15 0.00 -0.81 0.00 0.00 59.98 58.99 3hx7 h ARG 65 Cb 0.86 0.01 0.01 0.00 -0.42 0.00 0.00 29.97 30.43 3hx7 h ARG 65 CO 0.00 0.78 -0.58 -0.07 -1.51 0.00 0.00 179.97 178.59 3hx7 h LEU 66 N 0.00 0.55 -1.23 3.80 3.38 -1.49 -2.32 115.31 118.00 3hx7 h LEU 66 Ca -0.15 -0.73 -0.03 0.00 0.09 0.00 0.00 57.88 57.06 3hx7 h LEU 66 Cb 1.89 -0.17 -0.02 0.00 0.09 0.00 0.00 40.66 42.45 3hx7 h LEU 66 CO 0.11 1.21 0.14 -0.07 0.09 0.00 0.00 178.44 179.92 3hx7 h LEU 67 N -0.05 0.62 -0.21 1.67 3.38 -1.60 0.25 115.31 119.37 3hx7 h LEU 67 Ca -0.07 -0.08 -0.02 0.00 0.09 0.00 0.00 57.88 57.80 3hx7 h LEU 67 Cb 1.28 -0.16 -0.01 0.00 0.09 0.00 0.00 40.66 41.86 3hx7 h LEU 67 CO 0.12 0.59 0.05 0.50 0.09 0.00 0.00 178.44 179.79 3hx7 h LYS 68 N 0.66 0.33 -0.04 1.13 1.63 -1.47 -2.63 116.57 116.18 3hx7 h LYS 68 Ca 0.16 -0.08 -0.06 0.00 -0.85 0.00 0.00 60.65 59.82 3hx7 h LYS 68 Cb 0.20 -0.04 -0.01 0.00 -0.60 0.00 0.00 32.23 31.78 3hx7 h LYS 68 CO -0.01 0.45 -0.27 1.98 -3.45 0.00 0.00 179.45 178.15 3hx7 h MET 69 N 0.15 0.06 0.53 1.90 4.05 -0.86 -1.92 114.93 118.85 3hx7 h MET 69 Ca 0.06 -0.02 -0.03 0.00 -0.28 0.00 0.00 59.70 59.44 3hx7 h MET 69 Cb 0.27 -0.01 0.01 0.00 -0.80 0.00 0.00 31.60 31.06 3hx7 h MET 69 CO 0.00 0.33 -0.25 0.37 0.23 0.00 0.00 176.91 177.59 3hx7 h GLN 70 N 0.06 -0.68 -0.07 0.39 5.75 -0.70 -2.27 115.11 117.59 3hx7 h GLN 70 Ca 0.01 0.05 -0.00 0.00 -0.15 0.00 0.00 58.65 58.55 3hx7 h GLN 70 Cb 0.51 0.16 -0.00 0.00 1.07 0.00 0.00 27.48 29.21 3hx7 h GLN 70 CO 0.04 -0.43 0.04 -0.91 -2.65 0.00 0.00 178.83 174.91 3hx7 h ASN 71 N -0.76 0.08 1.09 -0.69 4.21 -1.27 -0.64 115.58 117.60 3hx7 h ASN 71 Ca -0.07 -0.00 -0.01 0.00 1.21 0.00 0.00 56.30 57.42 3hx7 h ASN 71 Cb 0.57 -0.02 -0.00 0.00 -1.12 0.00 0.00 38.32 37.75 3hx7 h ASN 71 CO 0.12 0.07 -0.07 1.56 -1.29 0.00 0.00 177.43 177.82 3hx7 h GLN 72 N 0.09 0.00 -0.02 0.81 4.20 -0.86 -2.85 115.11 116.48 3hx7 h GLN 72 Ca 0.02 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.73 3hx7 h GLN 72 Cb 0.01 0.00 0.00 0.00 0.30 0.00 0.00 27.48 27.79 3hx7 h GLN 72 CO -0.00 0.07 -0.25 0.54 -0.67 0.00 0.00 178.83 178.51 3hx7 n ARG 73 N -3.18 1.61 -0.12 1.46 5.12 -0.71 -4.95 116.66 115.89 3hx7 n ARG 73 Ca 0.01 -1.24 0.00 0.00 -1.93 0.00 0.00 57.85 54.69 3hx7 n ARG 73 Cb 0.36 -1.39 0.00 0.00 -1.16 0.00 0.00 32.46 30.27 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 1.25 0.78 3.65 -0.13 0.00 -0.94 -3.96 105.19 105.83 3hx7 n GLY 74 Ca 0.10 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.82 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 -1.72 1.62 -0.13 -0.02 0.00 -0.33 -4.63 107.32 102.11 3hx7 s GLY 75 Ca 0.00 0.11 0.02 0.00 0.00 0.00 0.00 44.72 44.84 3hx7 s GLY 75 CO 0.00 0.63 -0.18 0.50 0.00 0.00 0.00 173.10 174.05 3hx7 s ARG 76 N -4.73 2.58 0.12 2.90 1.81 -1.26 -4.18 118.95 116.19 3hx7 s ARG 76 Ca 0.66 -0.68 -0.31 0.00 -1.72 0.00 0.00 55.73 53.67 3hx7 s ARG 76 Cb -0.21 -2.18 -0.09 0.00 -0.45 0.00 0.00 34.95 32.02 3hx7 s ARG 76 CO 0.59 -0.10 1.47 0.00 -0.68 0.00 0.00 175.30 176.58 3hx7 s ALA 77 N 1.07 3.67 -0.10 2.13 0.00 -1.26 -5.01 121.76 122.25 3hx7 s ALA 77 Ca -0.03 1.21 0.03 0.00 0.00 0.00 0.00 51.96 53.16 3hx7 s ALA 77 Cb -0.14 -3.58 0.01 0.00 0.00 0.00 0.00 23.12 19.40 3hx7 s ALA 77 CO -0.05 -0.72 -0.18 -0.51 0.00 0.00 0.00 175.76 174.30 3hx7 s LEU 78 N 1.28 1.87 -0.16 0.00 1.43 -1.26 -5.13 118.68 116.71 3hx7 s LEU 78 Ca 0.67 -0.47 -0.05 0.00 -1.03 0.00 0.00 54.13 53.25 3hx7 s LEU 78 Cb -0.39 -1.19 -0.03 0.00 0.03 0.00 0.00 46.19 44.60 3hx7 s LEU 78 CO 0.30 0.07 0.01 -0.36 0.23 0.00 0.00 176.35 176.60 3hx7 s PHE 79 N 0.73 3.13 0.51 0.29 0.08 -1.26 -4.88 117.98 116.58 3hx7 s PHE 79 Ca -0.11 -0.11 0.07 0.00 0.12 0.00 0.00 56.93 56.89 3hx7 s PHE 79 Cb -0.16 -2.00 0.03 0.00 -0.57 0.00 0.00 43.02 40.32 3hx7 s PHE 79 CO 0.02 0.07 0.47 -0.65 -0.10 0.00 0.00 175.22 175.03 3hx7 s GLN 80 N 0.30 2.34 0.81 0.44 -1.52 -1.26 -5.10 119.66 115.66 3hx7 s GLN 80 Ca -0.00 -1.81 -0.13 0.00 -1.95 0.00 0.00 55.36 51.47 3hx7 s GLN 80 Cb -0.13 -2.28 0.08 0.00 -0.22 0.00 0.00 33.01 30.46 3hx7 s GLN 80 CO 0.02 -0.54 1.19 -0.51 -0.25 0.00 0.00 175.29 175.20 3hx7 s ASP 81 N -4.31 3.65 -0.25 5.90 -0.00 -1.26 -5.01 116.67 115.40 3hx7 s ASP 81 Ca 0.43 2.31 -0.04 0.00 -0.00 0.00 0.00 52.55 55.25 3hx7 s ASP 81 Cb -0.03 -2.58 0.01 0.00 -0.00 0.00 0.00 42.92 40.31 3hx7 s ASP 81 CO 0.26 -2.62 -0.01 -0.63 -0.00 0.00 0.00 175.17 172.17 3hx7 s ILE 82 N -2.23 3.42 0.26 0.77 1.01 -1.26 -5.07 121.20 118.10 3hx7 s ILE 82 Ca 0.72 -0.70 -0.30 0.00 0.00 0.00 0.00 60.65 60.38 3hx7 s ILE 82 Cb -0.27 -2.67 -0.10 0.00 0.01 0.00 0.00 42.46 39.43 3hx7 s ILE 82 CO 0.51 0.26 1.31 -0.54 0.00 0.00 0.00 174.94 176.48 3hx7 s LYS 83 N 1.44 4.38 0.78 2.79 1.02 -1.26 -5.01 119.74 123.88 3hx7 s LYS 83 Ca 0.03 2.13 -0.13 0.00 0.02 0.00 0.00 55.97 58.02 3hx7 s LYS 83 Cb -0.16 -3.14 0.07 0.00 -0.52 0.00 0.00 37.83 34.08 3hx7 s LYS 83 CO -0.02 -0.22 1.18 -1.59 -0.92 0.00 0.00 175.35 173.78 3hx7 s LYS 84 N -0.85 1.89 0.81 1.68 -2.85 -1.26 -4.88 119.74 114.28 3hx7 s LYS 84 Ca 0.53 1.64 -0.12 0.00 -1.00 0.00 0.00 55.97 57.03 3hx7 s LYS 84 Cb -0.38 -1.82 0.09 0.00 -2.06 0.00 0.00 37.83 33.66 3hx7 s LYS 84 CO 0.44 -2.00 1.15 -2.14 0.10 0.00 0.00 175.35 172.90 3hx7 s PRO 85 N -4.18 1.73 0.33 1.78 0.02 -1.26 -4.92 135.00 128.49 3hx7 s PRO 85 Ca 0.71 1.50 0.08 0.00 0.02 0.00 0.00 61.00 63.31 3hx7 s PRO 85 Cb -0.26 -1.81 0.78 0.00 0.02 0.00 0.00 34.50 33.23 3hx7 s PRO 85 CO 0.49 -2.09 1.82 0.00 -0.33 0.00 0.00 177.00 176.89 3hx7 h ALA 86 N -1.15 1.77 -1.92 -1.55 0.00 -1.98 -3.44 119.26 110.99 3hx7 h ALA 86 Ca -0.45 0.04 -0.55 0.00 0.00 0.00 0.00 54.91 53.96 3hx7 h ALA 86 Cb 1.26 -0.11 -0.14 0.00 0.00 0.00 0.00 17.79 18.81 3hx7 h ALA 86 CO 0.47 -0.08 -0.64 -1.21 0.00 0.00 0.00 179.25 177.79 3hx7 s GLU 87 N -5.76 1.74 -0.04 0.00 0.41 -1.26 -5.03 118.70 108.75 3hx7 s GLU 87 Ca -0.11 -1.94 0.10 0.00 -0.41 0.00 0.00 54.97 52.62 3hx7 s GLU 87 Cb 0.23 -1.33 -0.16 0.00 -1.78 0.00 0.00 34.13 31.10 3hx7 s GLU 87 CO 0.80 -0.02 0.18 -0.25 -0.49 0.00 0.00 175.26 175.48 3hx7 n ASP 88 N -0.76 2.49 -3.86 -0.19 8.00 -1.26 -4.93 116.55 116.04 3hx7 n ASP 88 Ca -0.04 0.00 -0.21 0.00 0.71 0.00 0.00 54.79 55.25 3hx7 n ASP 88 Cb 0.65 1.28 -0.17 0.00 -0.02 0.00 0.00 41.12 42.87 3hx7 n ASP 88 CO 0.00 0.00 0.00 -1.61 -0.39 0.00 0.00 177.20 175.20 3hx7 s GLU 89 N -2.61 0.77 -0.11 -1.24 2.02 -1.26 -5.03 118.70 111.24 3hx7 s GLU 89 Ca -0.04 -0.05 0.13 0.00 0.02 0.00 0.00 54.97 55.02 3hx7 s GLU 89 Cb 0.06 -0.87 0.56 0.00 0.10 0.00 0.00 34.13 33.97 3hx7 s GLU 89 CO 0.45 -0.14 1.41 0.91 0.02 0.00 0.00 175.26 177.91 3hx7 n TRP 90 N 4.33 1.22 -4.47 1.61 7.02 -1.26 -5.05 117.44 120.84 3hx7 n TRP 90 Ca -0.20 -0.47 0.00 0.00 -1.02 0.00 0.00 57.50 55.81 3hx7 n TRP 90 Cb 0.51 -0.24 0.00 0.00 -2.42 0.00 0.00 31.31 29.15 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 0.82 2.16 3.99 6.99 0.00 -1.26 -3.41 105.19 114.48 3hx7 n GLY 91 Ca 0.20 -0.54 -0.19 0.00 0.00 0.00 0.00 46.02 45.48 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 2.86 0.31 1.61 1.02 -1.26 -4.90 119.74 119.38 3hx7 s LYS 92 Ca 0.00 -0.96 0.07 0.00 0.02 0.00 0.00 55.97 55.10 3hx7 s LYS 92 Cb 0.00 -2.68 0.86 0.00 -0.52 0.00 0.00 37.83 35.49 3hx7 s LYS 92 CO 0.00 -0.30 1.68 1.15 -0.92 0.00 0.00 175.35 176.96 3hx7 h THR 93 N 0.53 0.38 -0.05 2.17 2.02 -2.00 -0.72 112.91 115.24 3hx7 h THR 93 Ca -0.43 -0.12 -0.13 0.00 0.77 0.00 0.00 66.41 66.50 3hx7 h THR 93 Cb 1.27 0.00 -0.01 0.00 -1.74 0.00 0.00 68.15 67.67 3hx7 h THR 93 CO 0.50 0.06 -0.56 -0.65 0.37 0.00 0.00 175.52 175.25 3hx7 h PRO 94 N 0.35 0.15 -0.40 6.66 0.11 -1.94 -1.51 132.00 135.41 3hx7 h PRO 94 Ca 0.62 -0.10 -0.11 0.00 0.11 0.00 0.00 66.00 66.53 3hx7 h PRO 94 Cb 1.29 0.01 -0.01 0.00 0.11 0.00 0.00 31.00 32.40 3hx7 h PRO 94 CO -0.58 0.67 -0.18 -0.44 -0.21 0.00 0.00 178.00 177.26 3hx7 h ASP 95 N 0.12 0.85 0.13 -2.05 3.45 -1.43 -1.21 116.42 116.29 3hx7 h ASP 95 Ca -0.00 -0.40 -0.01 0.00 0.43 0.00 0.00 57.03 57.05 3hx7 h ASP 95 Cb 1.02 -0.23 0.00 0.00 -0.56 0.00 0.00 39.33 39.56 3hx7 h ASP 95 CO 0.08 1.06 -0.06 0.00 -1.57 0.00 0.00 179.24 178.75 3hx7 h ALA 96 N 0.82 -0.18 0.00 3.45 0.00 -1.36 -1.42 119.26 120.57 3hx7 h ALA 96 Ca 0.09 -0.16 -0.00 0.00 0.00 0.00 0.00 54.91 54.84 3hx7 h ALA 96 Cb 0.73 0.07 -0.00 0.00 0.00 0.00 0.00 17.79 18.59 3hx7 h ALA 96 CO 0.06 -0.46 -0.00 1.98 0.00 0.00 0.00 179.25 180.83 3hx7 h MET 97 N -0.47 0.00 0.19 0.00 1.85 -1.28 0.53 114.93 115.75 3hx7 h MET 97 Ca -0.02 0.00 -0.31 0.00 -0.61 0.00 0.00 59.70 58.76 3hx7 h MET 97 Cb 0.37 0.00 0.02 0.00 0.43 0.00 0.00 31.60 32.42 3hx7 h MET 97 CO 0.03 0.00 -1.41 0.87 -0.40 0.00 0.00 176.91 176.00 3hx7 h LYS 98 N 0.00 0.40 -0.04 0.39 1.57 -0.88 -2.25 116.57 115.76 3hx7 h LYS 98 Ca -0.00 -0.69 -0.10 0.00 -1.87 0.00 0.00 60.65 57.99 3hx7 h LYS 98 Cb 0.01 0.26 -0.01 0.00 0.08 0.00 0.00 32.23 32.57 3hx7 h LYS 98 CO 0.00 1.32 -0.45 0.00 -0.57 0.00 0.00 179.45 179.76 3hx7 h ALA 99 N 0.35 1.18 -0.14 3.86 0.00 -0.05 -1.26 119.26 123.19 3hx7 h ALA 99 Ca -0.21 -0.42 -0.09 0.00 0.00 0.00 0.00 54.91 54.19 3hx7 h ALA 99 Cb 2.08 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 19.79 3hx7 h ALA 99 CO 0.23 0.59 -0.25 0.00 0.00 0.00 0.00 179.25 179.82 3hx7 h ALA 100 N 1.46 0.22 -0.83 0.00 0.00 -1.01 -1.14 119.26 117.96 3hx7 h ALA 100 Ca 0.00 -0.39 0.05 0.00 0.00 0.00 0.00 54.91 54.57 3hx7 h ALA 100 Cb 0.82 -0.04 -0.06 0.00 0.00 0.00 0.00 17.79 18.52 3hx7 h ALA 100 CO 0.06 0.20 0.52 1.98 0.00 0.00 0.00 179.25 182.02 3hx7 h MET 101 N 0.02 0.96 0.14 0.00 -1.53 -1.15 -0.68 114.93 112.69 3hx7 h MET 101 Ca 0.01 -0.06 -0.01 0.00 -3.44 0.00 0.00 59.70 56.20 3hx7 h MET 101 Cb 0.84 -0.22 0.00 0.00 -0.55 0.00 0.00 31.60 31.67 3hx7 h MET 101 CO 0.06 0.64 -0.07 0.00 0.14 0.00 0.00 176.91 177.68 3hx7 h ALA 102 N 1.37 -0.19 -0.75 0.39 0.00 -1.08 -2.10 119.26 116.92 3hx7 h ALA 102 Ca 0.35 -0.07 0.08 0.00 0.00 0.00 0.00 54.91 55.27 3hx7 h ALA 102 Cb 0.09 0.07 -0.05 0.00 0.00 0.00 0.00 17.79 17.90 3hx7 h ALA 102 CO -0.14 -0.57 0.49 1.25 0.00 0.00 0.00 179.25 180.28 3hx7 h LEU 103 N -0.26 0.63 -0.27 0.00 5.85 -0.70 -1.75 115.31 118.81 3hx7 h LEU 103 Ca -0.02 0.01 -0.16 0.00 0.84 0.00 0.00 57.88 58.55 3hx7 h LEU 103 Cb 0.21 -0.12 -0.00 0.00 0.37 0.00 0.00 40.66 41.11 3hx7 h LEU 103 CO 0.03 0.39 -0.44 -0.33 -0.34 0.00 0.00 178.44 177.75 3hx7 h GLU 104 N 0.71 0.78 -0.03 1.25 4.39 -0.79 -2.00 114.58 118.89 3hx7 h GLU 104 Ca 0.34 -0.48 -0.06 0.00 0.34 0.00 0.00 59.36 59.50 3hx7 h GLU 104 Cb 0.38 0.05 -0.01 0.00 -0.10 0.00 0.00 28.75 29.07 3hx7 h GLU 104 CO -0.12 1.10 -0.25 0.87 -1.16 0.00 0.00 179.01 179.45 3hx7 h LYS 105 N 0.53 0.05 -0.02 2.33 1.57 -0.91 0.30 116.57 120.42 3hx7 h LYS 105 Ca 0.02 -0.01 -0.01 0.00 -1.87 0.00 0.00 60.65 58.78 3hx7 h LYS 105 Cb 1.05 -0.01 -0.00 0.00 0.08 0.00 0.00 32.23 33.35 3hx7 h LYS 105 CO 0.10 0.30 -0.01 -0.22 -0.57 0.00 0.00 179.45 179.05 3hx7 h LYS 106 N 0.05 0.04 0.30 3.15 3.64 -1.19 -1.62 116.57 120.93 3hx7 h LYS 106 Ca 0.01 -0.02 -0.01 0.00 -1.27 0.00 0.00 60.65 59.35 3hx7 h LYS 106 Cb 0.47 -0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.29 3hx7 h LYS 106 CO 0.03 0.45 -0.14 -0.07 -2.27 0.00 0.00 179.45 177.45 3hx7 h LEU 107 N -0.37 -0.34 -1.78 5.20 3.38 -1.04 -2.02 115.31 118.34 3hx7 h LEU 107 Ca 0.00 -0.06 0.27 0.00 0.09 0.00 0.00 57.88 58.18 3hx7 h LEU 107 Cb 0.44 0.09 -0.06 0.00 0.09 0.00 0.00 40.66 41.22 3hx7 h LEU 107 CO 0.00 -0.15 0.69 -1.13 0.09 0.00 0.00 178.44 177.94 3hx7 h ASN 108 N -0.51 0.17 -0.07 -0.43 -1.24 -0.41 0.25 115.58 113.34 3hx7 h ASN 108 Ca -0.04 0.03 -0.07 0.00 0.71 0.00 0.00 56.30 56.93 3hx7 h ASN 108 Cb 0.38 -0.00 0.00 0.00 0.73 0.00 0.00 38.32 39.43 3hx7 h ASN 108 CO 0.07 0.05 -0.22 -0.61 -1.29 0.00 0.00 177.43 175.42 3hx7 h GLN 109 N 0.16 0.28 -0.57 6.67 5.75 -0.79 -1.19 115.11 125.41 3hx7 h GLN 109 Ca 0.50 -0.20 0.04 0.00 -0.15 0.00 0.00 58.65 58.84 3hx7 h GLN 109 Cb 1.69 0.03 -0.03 0.00 1.07 0.00 0.00 27.48 30.24 3hx7 h GLN 109 CO -0.10 0.82 0.38 0.00 -2.65 0.00 0.00 178.83 177.28 3hx7 h ALA 110 N 0.45 1.76 -0.11 3.38 0.00 0.07 0.29 119.26 125.10 3hx7 h ALA 110 Ca -0.01 -0.02 -0.04 0.00 0.00 0.00 0.00 54.91 54.84 3hx7 h ALA 110 Cb 0.84 -0.16 -0.00 0.00 0.00 0.00 0.00 17.79 18.47 3hx7 h ALA 110 CO 0.05 0.16 -0.10 -0.07 0.00 0.00 0.00 179.25 179.29 3hx7 h LEU 111 N 0.61 0.28 -1.66 0.00 3.38 -0.70 -1.37 115.31 115.86 3hx7 h LEU 111 Ca 0.24 -0.47 -0.04 0.00 0.09 0.00 0.00 57.88 57.70 3hx7 h LEU 111 Cb 0.17 -0.08 -0.01 0.00 0.09 0.00 0.00 40.66 40.84 3hx7 h LEU 111 CO -0.07 0.69 -0.20 -0.07 0.09 0.00 0.00 178.44 178.89 3hx7 h LEU 112 N -0.12 0.00 0.05 1.67 3.38 -0.34 -0.25 115.31 119.70 3hx7 h LEU 112 Ca 0.02 0.00 -0.00 0.00 0.09 0.00 0.00 57.88 57.99 3hx7 h LEU 112 Cb 0.60 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.36 3hx7 h LEU 112 CO 0.03 0.20 -0.02 0.44 0.09 0.00 0.00 178.44 179.17 3hx7 h ASP 113 N 0.00 -0.06 -0.89 -0.43 3.45 -0.29 -2.79 116.42 115.41 3hx7 h ASP 113 Ca -0.00 -0.51 0.04 0.00 0.43 0.00 0.00 57.03 56.99 3hx7 h ASP 113 Cb 0.43 0.02 -0.05 0.00 -0.56 0.00 0.00 39.33 39.16 3hx7 h ASP 113 CO 0.03 0.50 0.57 0.25 -1.57 0.00 0.00 179.24 179.02 3hx7 h LEU 114 N -0.65 0.95 -1.80 1.55 5.85 -0.96 -0.27 115.31 119.97 3hx7 h LEU 114 Ca -0.01 -0.00 -0.02 0.00 0.84 0.00 0.00 57.88 58.69 3hx7 h LEU 114 Cb 0.56 -0.21 -0.00 0.00 0.37 0.00 0.00 40.66 41.38 3hx7 h LEU 114 CO 0.01 0.65 -0.11 -0.74 -0.34 0.00 0.00 178.44 177.91 3hx7 h HIS 115 N 1.11 0.00 -0.07 1.25 2.76 -1.05 0.16 115.15 119.30 3hx7 h HIS 115 Ca 0.36 0.00 -0.20 0.00 -2.20 0.00 0.00 60.37 58.33 3hx7 h HIS 115 Cb 0.03 0.00 0.01 0.00 1.55 0.00 0.00 27.41 29.00 3hx7 h HIS 115 CO -0.02 0.11 -0.75 0.00 -1.30 0.00 0.00 177.93 175.97 3hx7 h ALA 116 N 1.89 0.19 -0.67 5.26 0.00 -0.83 -2.60 119.26 122.50 3hx7 h ALA 116 Ca -0.00 -0.60 -0.00 0.00 0.00 0.00 0.00 54.91 54.31 3hx7 h ALA 116 Cb 0.19 0.01 -0.03 0.00 0.00 0.00 0.00 17.79 17.96 3hx7 h ALA 116 CO 0.01 0.55 0.41 1.25 0.00 0.00 0.00 179.25 181.48 3hx7 h LEU 117 N 0.28 0.80 -1.25 0.00 5.85 -0.24 -0.47 115.31 120.29 3hx7 h LEU 117 Ca -0.07 -0.05 -0.02 0.00 0.84 0.00 0.00 57.88 58.58 3hx7 h LEU 117 Cb 1.40 -0.20 -0.03 0.00 0.37 0.00 0.00 40.66 42.20 3hx7 h LEU 117 CO 0.15 0.62 0.31 1.23 -0.34 0.00 0.00 178.44 180.41 3hx7 h GLY 118 N 0.92 0.88 1.78 3.75 0.00 -0.70 -1.41 103.07 108.29 3hx7 h GLY 118 Ca 0.24 -0.39 -0.18 0.00 0.00 0.00 0.00 47.33 47.00 3hx7 h GLY 118 CO -0.05 0.38 -0.78 1.76 0.00 0.00 0.00 176.54 177.85 3hx7 h SER 119 N 0.83 0.26 0.66 0.19 0.02 -0.93 0.15 113.55 114.73 3hx7 h SER 119 Ca 0.21 -0.19 -0.08 0.00 -0.84 0.00 0.00 61.79 60.89 3hx7 h SER 119 Cb 0.05 -0.08 -0.01 0.00 0.14 0.00 0.00 62.40 62.50 3hx7 h SER 119 CO -0.03 0.94 -0.37 0.00 -1.14 0.00 0.00 176.83 176.23 3hx7 h ALA 120 N 1.05 1.11 -0.30 3.77 0.00 -0.55 -1.89 119.26 122.45 3hx7 h ALA 120 Ca -0.03 -0.34 0.00 0.00 0.00 0.00 0.00 54.91 54.54 3hx7 h ALA 120 Cb 1.36 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 19.09 3hx7 h ALA 120 CO 0.12 0.46 0.00 0.54 0.00 0.00 0.00 179.25 180.37 3hx7 n ARG 121 N -3.69 2.17 -3.98 0.00 5.12 -0.58 -4.96 116.66 110.73 3hx7 n ARG 121 Ca -0.01 -1.77 -0.34 0.00 -1.93 0.00 0.00 57.85 53.80 3hx7 n ARG 121 Cb 0.47 -1.46 -0.01 0.00 -1.16 0.00 0.00 32.46 30.30 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 0.98 -3.34 -3.40 0.55 -2.24 -0.71 -4.91 114.28 101.21 3hx7 n THR 122 Ca 0.18 -0.65 -0.34 0.00 -2.27 0.00 0.00 64.05 60.96 3hx7 n THR 122 Cb 0.48 -2.70 -0.05 0.00 -2.10 0.00 0.00 70.33 65.96 3hx7 n THR 122 CO 0.00 0.00 0.00 -0.67 -0.57 0.00 0.00 175.07 173.83 3hx7 n ASP 123 N -2.65 4.60 0.27 3.42 -0.08 0.46 -4.94 116.55 117.63 3hx7 n ASP 123 Ca -0.20 -3.33 0.18 0.00 -1.51 0.00 0.00 54.79 49.93 3hx7 n ASP 123 Cb 0.63 -0.96 0.94 0.00 2.34 0.00 0.00 41.12 44.07 3hx7 n ASP 123 CO 0.00 0.00 0.00 1.55 0.12 0.00 0.00 177.20 178.87 3hx7 h PRO 124 N 5.15 0.00 0.08 -0.67 0.13 -1.91 -2.46 132.00 132.32 3hx7 h PRO 124 Ca 0.19 0.00 -0.00 0.00 -0.87 0.00 0.00 66.00 65.31 3hx7 h PRO 124 Cb 0.70 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.83 3hx7 h PRO 124 CO 0.97 0.00 -0.04 1.25 -0.23 0.00 0.00 178.00 179.96 3hx7 h HIS 125 N 0.00 -0.09 -0.03 1.56 2.76 -1.96 -1.99 115.15 115.39 3hx7 h HIS 125 Ca 0.00 -0.00 -0.02 0.00 -2.20 0.00 0.00 60.37 58.15 3hx7 h HIS 125 Cb 0.08 0.03 -0.00 0.00 1.55 0.00 0.00 27.41 29.07 3hx7 h HIS 125 CO 0.00 0.36 -0.07 1.25 -1.30 0.00 0.00 177.93 178.17 3hx7 h LEU 126 N -0.59 0.04 0.47 0.26 5.85 -1.85 -0.93 115.31 118.57 3hx7 h LEU 126 Ca -0.01 -0.00 -0.02 0.00 0.84 0.00 0.00 57.88 58.68 3hx7 h LEU 126 Cb 0.50 -0.01 0.00 0.00 0.37 0.00 0.00 40.66 41.52 3hx7 h LEU 126 CO 0.02 0.12 -0.23 0.00 -0.34 0.00 0.00 178.44 178.01 3hx7 h ASP 128 N -0.98 0.41 -0.21 0.00 3.58 -1.12 -0.20 116.42 117.90 3hx7 h ASP 128 Ca -0.07 0.10 0.02 0.00 0.42 0.00 0.00 57.03 57.51 3hx7 h ASP 128 Cb 0.59 0.05 -0.02 0.00 1.72 0.00 0.00 39.33 41.66 3hx7 h ASP 128 CO 0.11 0.15 0.06 0.15 -2.88 0.00 0.00 179.24 176.83 3hx7 h PHE 129 N 0.53 0.10 -0.31 0.28 3.04 -1.15 0.17 116.94 119.60 3hx7 h PHE 129 Ca 0.45 0.01 -0.03 0.00 3.98 0.00 0.00 57.97 62.38 3hx7 h PHE 129 Cb 0.68 -0.01 -0.01 0.00 2.56 0.00 0.00 35.95 39.16 3hx7 h PHE 129 CO -0.13 0.04 0.06 -0.07 -2.02 0.00 0.00 178.31 176.20 3hx7 h LEU 130 N 0.15 0.48 -2.20 0.59 3.38 -0.85 -2.07 115.31 114.79 3hx7 h LEU 130 Ca 0.09 -0.25 -0.00 0.00 0.09 0.00 0.00 57.88 57.81 3hx7 h LEU 130 Cb 0.07 -0.13 -0.00 0.00 0.09 0.00 0.00 40.66 40.70 3hx7 h LEU 130 CO -0.11 0.61 -0.00 -0.33 0.09 0.00 0.00 178.44 178.70 3hx7 h GLU 131 N 0.33 0.00 0.05 1.13 5.08 -0.64 -1.07 114.58 119.46 3hx7 h GLU 131 Ca 0.09 0.00 -0.36 0.00 -1.00 0.00 0.00 59.36 58.10 3hx7 h GLU 131 Cb 0.33 0.00 -0.05 0.00 0.50 0.00 0.00 28.75 29.53 3hx7 h GLU 131 CO 0.00 0.00 -2.12 2.41 -1.00 0.00 0.00 179.01 178.30 3hx7 n THR 132 N -3.09 1.61 0.00 1.13 -1.04 0.56 -4.44 114.28 109.00 3hx7 n THR 132 Ca -0.01 -0.70 0.00 0.00 -2.04 0.00 0.00 64.05 61.30 3hx7 n THR 132 Cb 0.19 -1.29 0.00 0.00 -1.82 0.00 0.00 70.33 67.41 3hx7 n THR 132 CO 0.00 0.00 0.00 1.41 -0.64 0.00 0.00 175.07 175.84 3hx7 n HIS 133 N -3.21 0.00 0.05 -1.42 8.25 -0.81 -4.92 115.22 113.17 3hx7 n HIS 133 Ca -0.32 -0.04 0.00 0.00 -0.26 0.00 0.00 57.72 57.10 3hx7 n HIS 133 Cb 1.05 -0.00 0.00 0.00 1.12 0.00 0.00 29.99 32.16 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 -0.04 -0.70 -0.04 4.41 3.72 -0.71 -4.75 117.46 119.36 3hx7 n PHE 134 Ca 0.00 0.12 -0.10 0.00 -0.05 0.00 0.00 57.45 57.43 3hx7 n PHE 134 Cb 0.02 0.26 -0.03 0.00 -0.94 0.00 0.00 39.48 38.78 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 0.00 -1.04 -0.89 4.37 3.38 -1.46 -1.79 115.31 117.89 3hx7 h LEU 135 Ca 0.00 0.16 -0.05 0.00 0.09 0.00 0.00 57.88 58.08 3hx7 h LEU 135 Cb 0.23 0.45 -0.01 0.00 0.09 0.00 0.00 40.66 41.43 3hx7 h LEU 135 CO 0.00 -0.35 -0.26 -0.78 0.09 0.00 0.00 178.44 177.14 3hx7 h ASP 136 N -0.35 0.00 0.20 -0.43 -0.00 -1.84 -2.59 116.42 111.40 3hx7 h ASP 136 Ca 0.12 0.00 -0.13 0.00 -0.00 0.00 0.00 57.03 57.02 3hx7 h ASP 136 Cb 0.54 0.00 -0.01 0.00 -0.00 0.00 0.00 39.33 39.86 3hx7 h ASP 136 CO -0.41 0.26 -0.48 -0.33 -0.00 0.00 0.00 179.24 178.28 3hx7 h GLU 137 N 0.00 0.33 -0.10 0.28 4.39 -1.70 -2.79 114.58 114.99 3hx7 h GLU 137 Ca -0.00 -0.18 -0.20 0.00 0.34 0.00 0.00 59.36 59.31 3hx7 h GLU 137 Cb 0.86 0.01 0.01 0.00 -0.10 0.00 0.00 28.75 29.53 3hx7 h GLU 137 CO 0.03 0.74 -0.73 0.93 -1.16 0.00 0.00 179.01 178.83 3hx7 h GLU 138 N 0.27 0.67 -0.67 2.33 4.39 -1.03 -2.04 114.58 118.49 3hx7 h GLU 138 Ca 0.01 -0.59 -0.05 0.00 0.34 0.00 0.00 59.36 59.08 3hx7 h GLU 138 Cb 0.94 0.14 -0.03 0.00 -0.10 0.00 0.00 28.75 29.70 3hx7 h GLU 138 CO 0.08 1.20 0.23 0.28 -1.16 0.00 0.00 179.01 179.64 3hx7 h VAL 139 N 0.33 1.25 -0.53 3.13 2.07 -1.47 0.16 116.25 121.18 3hx7 h VAL 139 Ca -0.06 -0.82 -0.06 0.00 0.82 0.00 0.00 66.70 66.57 3hx7 h VAL 139 Cb 1.38 0.53 -0.02 0.00 -1.52 0.00 0.00 31.29 31.65 3hx7 h VAL 139 CO 0.15 0.32 0.08 0.11 0.02 0.00 0.00 177.57 178.25 3hx7 h LYS 140 N 0.96 0.89 -0.43 1.57 1.57 -1.52 -0.74 116.57 118.87 3hx7 h LYS 140 Ca 0.22 -0.24 -0.06 0.00 -1.87 0.00 0.00 60.65 58.70 3hx7 h LYS 140 Cb 0.26 -0.10 -0.02 0.00 0.08 0.00 0.00 32.23 32.45 3hx7 h LYS 140 CO -0.01 0.87 0.04 1.25 -0.57 0.00 0.00 179.45 181.02 3hx7 h LEU 141 N 0.77 0.71 -0.83 2.94 5.85 -1.15 -1.13 115.31 122.47 3hx7 h LEU 141 Ca 0.16 -0.28 -0.07 0.00 0.84 0.00 0.00 57.88 58.53 3hx7 h LEU 141 Cb 0.41 -0.19 -0.03 0.00 0.37 0.00 0.00 40.66 41.22 3hx7 h LEU 141 CO 0.01 0.82 0.10 0.40 -0.34 0.00 0.00 178.44 179.43 3hx7 h ILE 142 N 0.58 1.25 -0.63 4.05 2.04 -0.83 -0.86 117.51 123.11 3hx7 h ILE 142 Ca 0.13 -0.97 -0.09 0.00 1.00 0.00 0.00 64.86 64.92 3hx7 h ILE 142 Cb 0.43 0.68 -0.02 0.00 -0.74 0.00 0.00 36.82 37.17 3hx7 h ILE 142 CO 0.01 0.36 0.04 0.50 0.00 0.00 0.00 178.15 179.06 3hx7 h LYS 143 N 0.92 1.09 -0.07 2.37 1.63 -0.90 -0.86 116.57 120.75 3hx7 h LYS 143 Ca 0.19 -0.33 -0.00 0.00 -0.85 0.00 0.00 60.65 59.66 3hx7 h LYS 143 Cb 0.40 -0.11 -0.00 0.00 -0.60 0.00 0.00 32.23 31.92 3hx7 h LYS 143 CO 0.01 1.04 0.03 -0.22 -3.45 0.00 0.00 179.45 176.86 3hx7 h LYS 144 N 1.00 0.10 -0.47 1.90 3.64 -0.84 -1.08 116.57 120.82 3hx7 h LYS 144 Ca 0.18 -0.02 -0.01 0.00 -1.27 0.00 0.00 60.65 59.54 3hx7 h LYS 144 Cb 0.52 -0.02 -0.02 0.00 -0.41 0.00 0.00 32.23 32.30 3hx7 h LYS 144 CO 0.03 0.20 0.27 0.52 -2.27 0.00 0.00 179.45 178.20 3hx7 h MET 145 N -0.03 0.64 -0.36 1.90 2.86 -0.98 -1.02 114.93 117.94 3hx7 h MET 145 Ca 0.02 -0.06 -0.11 0.00 -2.06 0.00 0.00 59.70 57.50 3hx7 h MET 145 Cb 0.14 -0.13 -0.01 0.00 0.06 0.00 0.00 31.60 31.65 3hx7 h MET 145 CO -0.00 0.46 -0.24 0.78 1.06 0.00 0.00 176.91 178.97 3hx7 h GLY 146 N 0.71 0.77 1.12 8.32 0.00 -0.72 -1.58 103.07 111.69 3hx7 h GLY 146 Ca 0.17 -0.66 -0.11 0.00 0.00 0.00 0.00 47.33 46.73 3hx7 h GLY 146 CO -0.03 0.60 -0.08 -0.55 0.00 0.00 0.00 176.54 176.48 3hx7 h ASP 147 N 0.62 1.03 -0.44 0.19 3.32 -0.35 -2.32 116.42 118.47 3hx7 h ASP 147 Ca 0.09 -0.33 -0.03 0.00 0.02 0.00 0.00 57.03 56.78 3hx7 h ASP 147 Cb 0.73 -0.28 -0.02 0.00 0.22 0.00 0.00 39.33 39.98 3hx7 h ASP 147 CO 0.06 1.12 0.16 0.45 -1.72 0.00 0.00 179.24 179.30 3hx7 h HIS 148 N 0.92 0.70 -0.81 4.55 3.86 -0.85 -1.80 115.15 121.72 3hx7 h HIS 148 Ca 0.15 -0.06 0.00 0.00 -1.16 0.00 0.00 60.37 59.30 3hx7 h HIS 148 Cb 0.64 -0.20 -0.04 0.00 1.06 0.00 0.00 27.41 28.87 3hx7 h HIS 148 CO 0.04 0.62 0.52 -0.07 0.86 0.00 0.00 177.93 179.90 3hx7 h LEU 149 N 0.58 0.94 -1.09 2.43 3.38 -1.20 0.13 115.31 120.47 3hx7 h LEU 149 Ca 0.15 -0.04 -0.06 0.00 0.09 0.00 0.00 57.88 58.02 3hx7 h LEU 149 Cb 0.23 -0.24 -0.02 0.00 0.09 0.00 0.00 40.66 40.73 3hx7 h LEU 149 CO -0.01 0.70 0.01 0.74 0.09 0.00 0.00 178.44 179.97 3hx7 h THR 150 N 1.10 1.22 0.00 0.22 2.02 -1.11 -2.07 112.91 114.28 3hx7 h THR 150 Ca 0.29 -0.87 -0.20 0.00 0.77 0.00 0.00 66.41 66.40 3hx7 h THR 150 Cb -0.10 0.90 -0.03 0.00 -1.74 0.00 0.00 68.15 67.18 3hx7 h THR 150 CO -0.06 0.31 -0.95 0.78 0.37 0.00 0.00 175.52 175.97 3hx7 h ASN 151 N 0.61 0.00 0.40 4.18 -0.26 -0.72 -3.15 115.58 116.64 3hx7 h ASN 151 Ca 0.13 0.00 -0.17 0.00 -0.56 0.00 0.00 56.30 55.70 3hx7 h ASN 151 Cb 0.37 0.00 -0.01 0.00 -1.06 0.00 0.00 38.32 37.62 3hx7 h ASN 151 CO 0.01 0.95 -0.71 -0.07 -1.06 0.00 0.00 177.43 176.55 3hx7 h LEU 152 N 0.00 0.32 -0.85 1.61 3.38 -0.48 -2.91 115.31 116.37 3hx7 h LEU 152 Ca -0.01 -0.21 0.00 0.00 0.09 0.00 0.00 57.88 57.75 3hx7 h LEU 152 Cb 1.72 -0.09 0.00 0.00 0.09 0.00 0.00 40.66 42.38 3hx7 h LEU 152 CO 0.12 0.92 0.00 -0.74 0.09 0.00 0.00 178.44 178.84 3hx7 h HIS 153 N 0.18 0.00 0.00 1.13 2.76 -1.45 -2.71 115.15 115.07 3hx7 h HIS 153 Ca -0.02 0.00 0.00 0.00 -2.20 0.00 0.00 60.37 58.15 3hx7 h HIS 153 Cb 1.26 0.00 0.00 0.00 1.55 0.00 0.00 27.41 30.22 3hx7 h HIS 153 CO 0.03 0.00 -0.20 -0.09 -1.30 0.00 0.00 177.93 176.37 3hx7 h ARG 154 N 0.00 0.00 -2.47 5.26 2.43 -1.47 -3.35 114.38 114.78 3hx7 h ARG 154 Ca 0.00 0.00 -0.75 0.00 -0.81 0.00 0.00 59.98 58.42 3hx7 h ARG 154 Cb 0.71 0.00 -0.17 0.00 -0.42 0.00 0.00 29.97 30.09 3hx7 h ARG 154 CO 0.00 0.00 1.90 1.28 -1.51 0.00 0.00 179.97 181.64 3hx7 n LEU 155 N -2.97 7.77 -2.73 3.80 4.77 -1.02 -4.04 117.00 122.58 3hx7 n LEU 155 Ca 0.03 -4.99 -0.06 0.00 -0.03 0.00 0.00 56.01 50.97 3hx7 n LEU 155 Cb 0.53 -1.29 0.04 0.00 -2.33 0.00 0.00 43.42 40.36 3hx7 n LEU 155 CO 0.35 2.04 0.26 0.61 -1.33 0.00 0.00 177.39 179.32 3hx7 n GLY 156 N 1.13 -0.57 0.00 -0.72 0.00 -1.26 -5.03 105.19 98.75 3hx7 n GLY 156 Ca 0.57 0.47 0.00 0.00 0.00 0.00 0.00 46.02 47.06 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 2.08 0.08 3.60 -0.02 0.00 -1.26 -5.06 105.19 104.60 3hx7 n GLY 157 Ca 0.11 -1.71 -0.30 0.00 0.00 0.00 0.00 46.02 44.12 3hx7 n GLY 157 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 3hx7 s PRO 158 N 0.00 -1.33 0.00 1.61 0.04 -1.26 -3.95 135.00 130.11 3hx7 s PRO 158 Ca 0.00 -0.17 0.00 0.00 0.04 0.00 0.00 61.00 60.87 3hx7 s PRO 158 Cb 0.00 -1.59 0.00 0.00 0.04 0.00 0.00 34.50 32.95 3hx7 s PRO 158 CO 0.00 -3.76 0.00 0.39 0.04 0.00 0.00 177.00 173.67 3hx7 n GLU 159 N -4.77 -1.50 0.00 4.56 1.02 -1.26 -4.70 120.64 113.99 3hx7 n GLU 159 Ca 0.14 0.37 0.06 0.00 -0.02 0.00 0.00 57.16 57.72 3hx7 n GLU 159 Cb 0.60 -4.51 0.34 0.00 -0.02 0.00 0.00 31.44 27.85 3hx7 n GLU 159 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31