#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3hx7 n MET 1 N 0.00 0.00 -4.27 5.56 0.00 -1.26 -5.04 117.12 112.11 3hx7 n MET 1 Ca 0.00 0.00 -0.23 0.00 -0.00 0.00 0.00 57.70 57.47 3hx7 n MET 1 Cb 0.00 -0.87 -0.07 0.00 0.00 0.00 0.00 33.22 32.28 3hx7 n MET 1 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 175.97 176.42 3hx7 s SER 2 N -0.87 4.63 0.31 6.12 0.15 -1.26 -5.10 113.70 117.68 3hx7 s SER 2 Ca 0.43 -0.58 -0.29 0.00 0.70 0.00 0.00 55.95 56.21 3hx7 s SER 2 Cb -0.31 -0.90 -0.10 0.00 -1.71 0.00 0.00 66.02 62.99 3hx7 s SER 2 CO 0.64 0.01 1.24 -0.55 1.20 0.00 0.00 173.24 175.78 3hx7 s SER 3 N -3.57 6.93 0.65 5.45 0.15 -1.26 -4.92 113.70 117.13 3hx7 s SER 3 Ca 0.31 2.56 0.42 0.00 0.70 0.00 0.00 55.95 59.94 3hx7 s SER 3 Cb -0.07 -2.64 2.27 0.00 -1.71 0.00 0.00 66.02 63.87 3hx7 s SER 3 CO 0.20 -0.41 2.32 0.06 1.20 0.00 0.00 173.24 176.61 3hx7 h GLN 4 N 3.56 0.00 0.00 5.44 3.07 -1.97 -2.05 115.11 123.15 3hx7 h GLN 4 Ca -0.48 0.00 0.00 0.00 0.09 0.00 0.00 58.65 58.26 3hx7 h GLN 4 Cb 1.22 0.00 0.00 0.00 0.08 0.00 0.00 27.48 28.78 3hx7 h GLN 4 CO 0.66 0.00 -1.51 0.44 0.09 0.00 0.00 178.83 178.51 3hx7 n ILE 5 N -3.15 0.00 -1.65 1.86 -5.35 -1.26 -5.00 119.36 104.81 3hx7 n ILE 5 Ca -0.03 -0.28 -0.45 0.00 -0.27 0.00 0.00 62.75 61.72 3hx7 n ILE 5 Cb 0.10 0.45 -0.02 0.00 -1.74 0.00 0.00 39.64 38.43 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 -1.89 1.82 -3.56 6.28 0.63 -0.77 -4.87 116.66 114.29 3hx7 n ARG 6 Ca -0.00 0.64 -0.01 0.00 -0.92 0.00 0.00 57.85 57.56 3hx7 n ARG 6 Cb 0.44 -2.23 -0.05 0.00 0.45 0.00 0.00 32.46 31.07 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 -0.73 0.45 -1.41 -0.14 0.74 -1.26 -4.93 119.66 112.38 3hx7 s GLN 7 Ca 0.66 0.99 0.00 0.00 0.05 0.00 0.00 55.36 57.06 3hx7 s GLN 7 Cb -0.68 0.43 0.00 0.00 1.10 0.00 0.00 33.01 33.86 3hx7 s GLN 7 CO 0.53 -0.13 0.00 -1.71 -0.55 0.00 0.00 175.29 173.43 3hx7 n ASN 8 N 4.72 -5.21 -4.25 6.67 2.85 -1.26 -4.94 115.26 113.84 3hx7 n ASN 8 Ca -0.14 0.33 -0.43 0.00 -0.11 0.00 0.00 54.58 54.23 3hx7 n ASN 8 Cb 0.54 -3.88 -0.05 0.00 1.24 0.00 0.00 39.78 37.63 3hx7 n ASN 8 CO 0.00 0.00 0.00 -0.47 -2.11 0.00 0.00 177.26 174.68 3hx7 s TYR 9 N -2.29 3.62 0.45 1.20 5.04 -1.26 -4.83 117.35 119.28 3hx7 s TYR 9 Ca 0.00 -2.20 -0.25 0.00 -2.44 0.00 0.00 57.07 52.18 3hx7 s TYR 9 Cb 0.00 -3.61 -0.08 0.00 0.35 0.00 0.00 41.96 38.62 3hx7 s TYR 9 CO 0.00 -0.94 1.42 -1.13 -1.34 0.00 0.00 175.55 173.55 3hx7 n SER 10 N 3.89 3.23 0.27 4.32 3.41 -1.26 -4.88 113.62 122.60 3hx7 n SER 10 Ca 0.10 1.11 0.16 0.00 -0.26 0.00 0.00 58.87 59.98 3hx7 n SER 10 Cb 0.44 -1.59 0.74 0.00 -0.26 0.00 0.00 64.21 63.53 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 2.23 0.23 -0.39 6.66 1.35 -1.98 -2.36 112.91 118.66 3hx7 h THR 11 Ca -0.51 -0.55 -0.05 0.00 -0.55 0.00 0.00 66.41 64.75 3hx7 h THR 11 Cb 1.27 1.44 -0.02 0.00 -1.73 0.00 0.00 68.15 69.12 3hx7 h THR 11 CO 0.61 0.07 0.05 0.44 -0.25 0.00 0.00 175.52 176.43 3hx7 h ASP 12 N 0.00 0.63 0.71 5.36 3.45 -2.00 -2.00 116.42 122.58 3hx7 h ASP 12 Ca -0.00 -0.27 -0.03 0.00 0.43 0.00 0.00 57.03 57.15 3hx7 h ASP 12 Cb 0.44 -0.17 0.01 0.00 -0.56 0.00 0.00 39.33 39.05 3hx7 h ASP 12 CO 0.01 0.75 -0.34 0.58 -1.57 0.00 0.00 179.24 178.66 3hx7 h VAL 13 N 0.50 0.11 -1.87 -1.35 2.07 -1.84 -2.69 116.25 111.18 3hx7 h VAL 13 Ca 0.12 -0.26 0.56 0.00 0.82 0.00 0.00 66.70 67.94 3hx7 h VAL 13 Cb 0.39 0.14 -0.09 0.00 -1.52 0.00 0.00 31.29 30.21 3hx7 h VAL 13 CO 0.01 0.01 1.33 1.21 0.02 0.00 0.00 177.57 180.15 3hx7 n GLU 14 N -5.43 -0.01 0.03 1.57 2.13 -0.92 0.23 120.64 118.24 3hx7 n GLU 14 Ca -0.13 1.12 -0.06 0.00 0.66 0.00 0.00 57.16 58.75 3hx7 n GLU 14 Cb 0.39 -2.50 -0.11 0.00 0.27 0.00 0.00 31.44 29.48 3hx7 n GLU 14 CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72 3hx7 h ALA 15 N 1.11 0.60 -0.21 4.31 0.00 -1.18 -3.11 119.26 120.78 3hx7 h ALA 15 Ca 0.93 -1.11 -0.17 0.00 0.00 0.00 0.00 54.91 54.56 3hx7 h ALA 15 Cb 3.62 0.18 0.00 0.00 0.00 0.00 0.00 17.79 21.60 3hx7 h ALA 15 CO -0.10 1.31 -0.52 0.00 0.00 0.00 0.00 179.25 179.95 3hx7 h ALA 16 N 1.09 0.34 0.42 0.00 0.00 0.33 -2.62 119.26 118.83 3hx7 h ALA 16 Ca -0.15 -0.50 -0.01 0.00 0.00 0.00 0.00 54.91 54.25 3hx7 h ALA 16 Cb 1.83 -0.05 -0.02 0.00 0.00 0.00 0.00 17.79 19.55 3hx7 h ALA 16 CO 0.09 0.54 -0.38 0.28 0.00 0.00 0.00 179.25 179.78 3hx7 h VAL 17 N 0.43 0.23 -0.41 0.00 2.07 -1.23 0.38 116.25 117.73 3hx7 h VAL 17 Ca -0.01 0.00 0.12 0.00 0.82 0.00 0.00 66.70 67.63 3hx7 h VAL 17 Cb 1.13 0.23 -0.02 0.00 -1.52 0.00 0.00 31.29 31.12 3hx7 h VAL 17 CO 0.11 0.00 0.36 0.78 0.02 0.00 0.00 177.57 178.84 3hx7 h ASN 18 N -0.81 0.00 0.37 0.57 2.35 -1.58 0.12 115.58 116.61 3hx7 h ASN 18 Ca -0.04 0.00 -0.32 0.00 -0.55 0.00 0.00 56.30 55.39 3hx7 h ASN 18 Cb 0.71 0.00 0.01 0.00 0.05 0.00 0.00 38.32 39.09 3hx7 h ASN 18 CO -0.04 0.00 -1.52 -1.28 -1.65 0.00 0.00 177.43 172.94 3hx7 h SER 19 N 0.00 0.58 -0.53 5.81 0.87 -0.84 -3.05 113.55 116.39 3hx7 h SER 19 Ca 0.20 -0.72 -0.01 0.00 -1.23 0.00 0.00 61.79 60.03 3hx7 h SER 19 Cb 0.91 -0.19 -0.03 0.00 -0.44 0.00 0.00 62.40 62.65 3hx7 h SER 19 CO -0.00 1.58 0.30 0.25 -0.53 0.00 0.00 176.83 178.43 3hx7 h LEU 20 N 0.10 0.64 -0.72 2.23 5.85 0.20 -0.79 115.31 122.82 3hx7 h LEU 20 Ca -0.25 -0.08 0.11 0.00 0.84 0.00 0.00 57.88 58.51 3hx7 h LEU 20 Cb 2.07 -0.16 -0.08 0.00 0.37 0.00 0.00 40.66 42.86 3hx7 h LEU 20 CO 0.21 0.53 0.32 0.58 -0.34 0.00 0.00 178.44 179.74 3hx7 h VAL 21 N 0.70 0.76 -0.05 1.05 2.07 -0.95 0.32 116.25 120.14 3hx7 h VAL 21 Ca 0.19 -0.18 -0.10 0.00 0.82 0.00 0.00 66.70 67.43 3hx7 h VAL 21 Cb 0.02 0.20 -0.01 0.00 -1.52 0.00 0.00 31.29 29.97 3hx7 h VAL 21 CO -0.03 0.09 -0.44 -1.13 0.02 0.00 0.00 177.57 176.08 3hx7 h ASN 22 N 0.51 0.12 -0.38 0.57 -0.73 -1.29 0.20 115.58 114.59 3hx7 h ASN 22 Ca 0.38 -0.05 -0.12 0.00 1.87 0.00 0.00 56.30 58.37 3hx7 h ASN 22 Cb 0.49 -0.03 -0.01 0.00 0.27 0.00 0.00 38.32 39.03 3hx7 h ASN 22 CO -0.33 0.55 -0.20 0.25 -0.37 0.00 0.00 177.43 177.33 3hx7 h LEU 23 N 0.10 0.89 0.07 0.34 5.85 0.92 -2.19 115.31 121.28 3hx7 h LEU 23 Ca 0.01 -0.32 -0.00 0.00 0.84 0.00 0.00 57.88 58.40 3hx7 h LEU 23 Cb 0.82 -0.24 0.00 0.00 0.37 0.00 0.00 40.66 41.61 3hx7 h LEU 23 CO 0.06 1.06 -0.03 1.88 -0.34 0.00 0.00 178.44 181.07 3hx7 h TYR 24 N 0.76 -0.08 -1.06 1.25 0.99 -0.36 -1.76 116.97 116.72 3hx7 h TYR 24 Ca 0.11 -0.00 0.30 0.00 2.00 0.00 0.00 58.73 61.13 3hx7 h TYR 24 Cb 0.74 0.03 -0.05 0.00 1.00 0.00 0.00 36.73 38.44 3hx7 h TYR 24 CO 0.04 0.43 0.75 -0.07 -0.00 0.00 0.00 178.16 179.31 3hx7 h LEU 25 N -0.65 0.09 0.00 3.88 3.38 -0.89 0.56 115.31 121.68 3hx7 h LEU 25 Ca -0.01 0.02 -0.22 0.00 0.09 0.00 0.00 57.88 57.76 3hx7 h LEU 25 Cb 0.55 0.00 -0.04 0.00 0.09 0.00 0.00 40.66 41.26 3hx7 h LEU 25 CO 0.01 0.02 -1.32 -0.61 0.09 0.00 0.00 178.44 176.64 3hx7 h GLN 26 N 0.08 0.00 -0.03 1.13 4.15 -1.30 -2.60 115.11 116.54 3hx7 h GLN 26 Ca 0.52 0.00 -0.01 0.00 0.77 0.00 0.00 58.65 59.93 3hx7 h GLN 26 Cb 1.93 0.00 -0.00 0.00 0.21 0.00 0.00 27.48 29.62 3hx7 h GLN 26 CO -0.06 0.57 -0.01 0.00 -1.93 0.00 0.00 178.83 177.41 3hx7 h ALA 27 N 1.16 0.04 -0.60 3.38 0.00 0.88 -2.01 119.26 122.10 3hx7 h ALA 27 Ca -0.15 -0.19 0.11 0.00 0.00 0.00 0.00 54.91 54.68 3hx7 h ALA 27 Cb 1.78 -0.01 -0.09 0.00 0.00 0.00 0.00 17.79 19.47 3hx7 h ALA 27 CO 0.08 -0.26 0.13 1.03 0.00 0.00 0.00 179.25 180.23 3hx7 h SER 28 N -0.30 -0.00 0.03 0.00 0.87 -0.67 0.23 113.55 113.71 3hx7 h SER 28 Ca 0.01 0.11 -0.01 0.00 -1.23 0.00 0.00 61.79 60.67 3hx7 h SER 28 Cb 0.39 0.16 -0.00 0.00 -0.44 0.00 0.00 62.40 62.50 3hx7 h SER 28 CO 0.00 0.01 -0.03 0.22 -0.53 0.00 0.00 176.83 176.50 3hx7 h TYR 29 N 0.26 0.00 -0.04 2.24 3.20 -1.28 0.38 116.97 121.73 3hx7 h TYR 29 Ca 0.32 0.00 -0.22 0.00 3.14 0.00 0.00 58.73 61.97 3hx7 h TYR 29 Cb 0.47 0.00 0.02 0.00 1.54 0.00 0.00 36.73 38.76 3hx7 h TYR 29 CO -0.25 0.03 -0.83 1.15 -1.64 0.00 0.00 178.16 176.62 3hx7 h THR 30 N 0.00 1.32 -0.56 1.81 2.02 0.15 -2.89 112.91 114.76 3hx7 h THR 30 Ca -0.00 -2.10 -0.05 0.00 0.77 0.00 0.00 66.41 65.02 3hx7 h THR 30 Cb 0.06 2.32 -0.02 0.00 -1.74 0.00 0.00 68.15 68.77 3hx7 h THR 30 CO 0.00 0.64 0.13 1.88 0.37 0.00 0.00 175.52 178.55 3hx7 h TYR 31 N 0.29 0.94 -0.77 3.16 0.05 -0.44 -0.43 116.97 119.76 3hx7 h TYR 31 Ca -0.09 -0.11 0.11 0.00 0.05 0.00 0.00 58.73 58.69 3hx7 h TYR 31 Cb 1.49 -0.26 -0.05 0.00 1.01 0.00 0.00 36.73 38.92 3hx7 h TYR 31 CO 0.11 0.81 0.51 1.25 -1.05 0.00 0.00 178.16 179.79 3hx7 h LEU 32 N 0.79 0.58 -0.01 3.88 5.85 -0.96 0.46 115.31 125.90 3hx7 h LEU 32 Ca 0.17 0.02 -0.15 0.00 0.84 0.00 0.00 57.88 58.77 3hx7 h LEU 32 Cb 0.35 -0.10 0.01 0.00 0.37 0.00 0.00 40.66 41.29 3hx7 h LEU 32 CO 0.00 0.33 -0.57 -1.28 -0.34 0.00 0.00 178.44 176.58 3hx7 h SER 33 N 0.63 0.52 -0.68 1.25 0.87 -1.13 -2.89 113.55 112.12 3hx7 h SER 33 Ca 0.36 -0.75 0.08 0.00 -1.23 0.00 0.00 61.79 60.25 3hx7 h SER 33 Cb 0.56 -0.16 -0.06 0.00 -0.44 0.00 0.00 62.40 62.29 3hx7 h SER 33 CO -0.14 1.20 0.35 -0.07 -0.53 0.00 0.00 176.83 177.64 3hx7 h LEU 34 N -0.11 0.48 0.00 2.23 3.38 -0.02 -1.61 115.31 119.66 3hx7 h LEU 34 Ca -0.07 0.05 0.00 0.00 0.09 0.00 0.00 57.88 57.95 3hx7 h LEU 34 Cb 1.28 -0.04 0.00 0.00 0.09 0.00 0.00 40.66 41.99 3hx7 h LEU 34 CO 0.11 0.29 0.00 0.61 0.09 0.00 0.00 178.44 179.54 3hx7 n GLY 35 N -1.29 -2.82 0.00 0.83 0.00 0.15 -2.08 105.19 99.98 3hx7 n GLY 35 Ca 0.10 0.25 0.02 0.00 0.00 0.00 0.00 46.02 46.39 3hx7 n GLY 35 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 3hx7 n PHE 36 N -2.10 0.00 0.11 1.61 3.01 -1.10 -1.25 117.46 117.74 3hx7 n PHE 36 Ca 0.00 0.00 -0.23 0.00 1.01 0.00 0.00 57.45 58.23 3hx7 n PHE 36 Cb 0.00 -0.31 -0.15 0.00 -0.01 0.00 0.00 39.48 39.00 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 0.81 0.00 1.38 3.20 -0.72 -3.17 116.97 118.48 3hx7 h TYR 37 Ca 0.00 -0.59 0.00 0.00 3.14 0.00 0.00 58.73 61.28 3hx7 h TYR 37 Cb 0.04 -0.03 0.00 0.00 1.54 0.00 0.00 36.73 38.28 3hx7 h TYR 37 CO 0.00 1.47 0.00 1.19 -1.64 0.00 0.00 178.16 179.18 3hx7 n PHE 38 N -3.88 0.22 1.39 -3.82 3.72 -0.38 -2.44 117.46 112.27 3hx7 n PHE 38 Ca -0.16 0.08 0.14 0.00 -0.05 0.00 0.00 57.45 57.46 3hx7 n PHE 38 Cb 0.99 -0.62 0.53 0.00 -0.94 0.00 0.00 39.48 39.43 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 -1.69 0.84 -4.77 4.37 -0.08 -1.10 -1.68 116.55 112.44 3hx7 n ASP 39 Ca 0.05 -0.88 -0.38 0.00 -1.51 0.00 0.00 54.79 52.06 3hx7 n ASP 39 Cb 0.26 0.02 -0.02 0.00 2.34 0.00 0.00 41.12 43.73 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 -2.37 4.01 0.60 -0.67 0.52 -1.02 -4.76 118.95 115.25 3hx7 s ARG 40 Ca 0.30 1.87 0.34 0.00 -0.52 0.00 0.00 55.73 57.71 3hx7 s ARG 40 Cb 0.20 -2.65 1.93 0.00 0.52 0.00 0.00 34.95 34.95 3hx7 s ARG 40 CO 0.46 -0.37 2.26 0.38 0.02 0.00 0.00 175.30 178.05 3hx7 h ASP 41 N 2.57 0.00 -0.07 0.23 2.03 -1.90 0.99 116.42 120.27 3hx7 h ASP 41 Ca -0.49 0.00 0.00 0.00 -0.73 0.00 0.00 57.03 55.81 3hx7 h ASP 41 Cb 1.24 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 39.74 3hx7 h ASP 41 CO 0.62 0.02 0.00 -0.90 -1.03 0.00 0.00 179.24 177.95 3hx7 n ASP 42 N -3.59 2.33 0.00 4.15 3.85 -1.26 -4.26 116.55 117.78 3hx7 n ASP 42 Ca -0.03 -1.78 0.00 0.00 -0.71 0.00 0.00 54.79 52.28 3hx7 n ASP 42 Cb 0.11 -0.03 0.00 0.00 -1.35 0.00 0.00 41.12 39.84 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 0.81 0.00 -2.36 2.12 0.31 -0.75 -5.09 118.33 113.37 3hx7 n VAL 43 Ca 0.17 0.00 -0.18 0.00 -0.01 0.00 0.00 64.34 64.31 3hx7 n VAL 43 Cb 0.48 -1.25 0.02 0.00 -0.91 0.00 0.00 33.84 32.18 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 -2.87 -1.70 -3.24 3.52 0.00 0.34 -4.96 120.51 111.59 3hx7 n ALA 44 Ca 0.00 0.15 -0.24 0.00 0.00 0.00 0.00 53.44 53.35 3hx7 n ALA 44 Cb 0.50 -1.07 -0.07 0.00 0.00 0.00 0.00 19.45 18.80 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 0.11 -0.43 -0.04 0.00 4.77 -0.68 -4.99 117.00 115.75 3hx7 n LEU 45 Ca -0.04 -4.41 0.24 0.00 -0.03 0.00 0.00 56.01 51.77 3hx7 n LEU 45 Cb 0.37 0.62 0.70 0.00 -2.33 0.00 0.00 43.42 42.77 3hx7 n LEU 45 CO 0.26 1.97 1.22 -0.08 -1.33 0.00 0.00 177.39 179.43 3hx7 h GLU 46 N 4.74 0.00 -0.23 3.23 4.81 -1.94 -0.43 114.58 124.77 3hx7 h GLU 46 Ca 0.14 0.00 -0.06 0.00 -0.13 0.00 0.00 59.36 59.32 3hx7 h GLU 46 Cb 0.91 0.00 -0.01 0.00 0.63 0.00 0.00 28.75 30.28 3hx7 h GLU 46 CO 0.40 0.00 -0.08 0.78 -0.73 0.00 0.00 179.01 179.38 3hx7 h GLY 47 N 0.00 0.50 0.56 1.92 0.00 -1.94 -1.72 103.07 102.39 3hx7 h GLY 47 Ca 0.31 -0.43 -0.00 0.00 0.00 0.00 0.00 47.33 47.21 3hx7 h GLY 47 CO -0.00 0.39 -0.04 -2.08 0.00 0.00 0.00 176.54 174.80 3hx7 h VAL 48 N 0.18 1.16 -0.52 4.60 2.07 -1.51 -2.56 116.25 119.66 3hx7 h VAL 48 Ca 0.05 -0.95 0.10 0.00 0.82 0.00 0.00 66.70 66.73 3hx7 h VAL 48 Cb 0.56 1.76 -0.10 0.00 -1.52 0.00 0.00 31.29 31.98 3hx7 h VAL 48 CO 0.03 0.23 -0.16 -1.28 0.02 0.00 0.00 177.57 176.41 3hx7 h SER 49 N -0.55 -0.58 -0.76 0.57 0.87 -1.33 0.54 113.55 112.31 3hx7 h SER 49 Ca -0.01 0.17 0.00 0.00 -1.23 0.00 0.00 61.79 60.72 3hx7 h SER 49 Cb 0.46 0.36 -0.04 0.00 -0.44 0.00 0.00 62.40 62.74 3hx7 h SER 49 CO 0.02 -0.20 0.49 -0.74 -0.53 0.00 0.00 176.83 175.87 3hx7 h HIS 50 N -0.04 0.98 -0.45 2.24 6.17 -1.33 -0.94 115.15 121.78 3hx7 h HIS 50 Ca 0.25 0.01 -0.00 0.00 0.71 0.00 0.00 60.37 61.34 3hx7 h HIS 50 Cb 0.42 -0.33 -0.02 0.00 2.52 0.00 0.00 27.41 30.00 3hx7 h HIS 50 CO -0.46 0.63 0.27 0.35 0.71 0.00 0.00 177.93 179.43 3hx7 h PHE 51 N 1.05 0.60 -0.08 5.26 3.57 -0.49 -2.14 116.94 124.70 3hx7 h PHE 51 Ca 0.28 -0.00 -0.02 0.00 3.53 0.00 0.00 57.97 61.76 3hx7 h PHE 51 Cb -0.09 -0.20 -0.00 0.00 2.79 0.00 0.00 35.95 38.45 3hx7 h PHE 51 CO 0.00 0.42 -0.03 0.74 -2.23 0.00 0.00 178.31 177.21 3hx7 h PHE 52 N 0.60 0.19 -0.17 0.41 0.05 -0.77 -2.67 116.94 114.58 3hx7 h PHE 52 Ca 0.16 -0.04 0.05 0.00 3.82 0.00 0.00 57.97 61.96 3hx7 h PHE 52 Cb -0.00 -0.04 -0.01 0.00 2.00 0.00 0.00 35.95 37.89 3hx7 h PHE 52 CO -0.03 0.51 0.21 0.00 -0.18 0.00 0.00 178.31 178.82 3hx7 h ARG 53 N -0.19 0.00 -0.06 1.51 3.08 -1.11 0.25 114.38 117.87 3hx7 h ARG 53 Ca 0.02 0.00 -0.09 0.00 0.07 0.00 0.00 59.98 59.98 3hx7 h ARG 53 Cb 0.45 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.51 3hx7 h ARG 53 CO 0.01 0.00 -0.33 0.93 -1.07 0.00 0.00 179.97 179.51 3hx7 h GLU 54 N 0.00 0.33 -0.84 0.04 5.08 -1.16 -2.93 114.58 115.10 3hx7 h GLU 54 Ca 0.08 -0.28 -0.00 0.00 -1.00 0.00 0.00 59.36 58.17 3hx7 h GLU 54 Cb 0.50 0.06 -0.04 0.00 0.50 0.00 0.00 28.75 29.77 3hx7 h GLU 54 CO -0.00 0.92 0.52 -0.07 -1.00 0.00 0.00 179.01 179.39 3hx7 h LEU 55 N -0.18 1.00 -1.60 1.33 3.38 -0.48 -0.25 115.31 118.52 3hx7 h LEU 55 Ca -0.02 -0.06 0.12 0.00 0.09 0.00 0.00 57.88 58.01 3hx7 h LEU 55 Cb 0.99 -0.25 -0.04 0.00 0.09 0.00 0.00 40.66 41.45 3hx7 h LEU 55 CO 0.07 0.76 0.46 0.00 0.09 0.00 0.00 178.44 179.82 3hx7 h ALA 56 N 1.28 2.06 0.00 1.53 0.00 -0.62 0.12 119.26 123.63 3hx7 h ALA 56 Ca 0.30 -0.01 -0.20 0.00 0.00 0.00 0.00 54.91 55.00 3hx7 h ALA 56 Cb -0.07 -0.07 -0.03 0.00 0.00 0.00 0.00 17.79 17.61 3hx7 h ALA 56 CO -0.06 -0.23 -1.16 1.49 0.00 0.00 0.00 179.25 179.29 3hx7 h GLU 57 N 0.43 0.00 -0.27 0.00 4.57 -0.99 -2.78 114.58 115.54 3hx7 h GLU 57 Ca 0.33 0.00 -0.10 0.00 -1.18 0.00 0.00 59.36 58.40 3hx7 h GLU 57 Cb 0.70 0.00 -0.01 0.00 -0.16 0.00 0.00 28.75 29.28 3hx7 h GLU 57 CO -0.10 0.66 -0.28 0.93 -1.18 0.00 0.00 179.01 179.04 3hx7 h GLU 58 N 0.00 0.53 -0.36 1.92 5.08 0.69 -1.37 114.58 121.07 3hx7 h GLU 58 Ca -0.11 -0.21 -0.07 0.00 -1.00 0.00 0.00 59.36 57.97 3hx7 h GLU 58 Cb 1.73 -0.02 -0.01 0.00 0.50 0.00 0.00 28.75 30.94 3hx7 h GLU 58 CO 0.09 0.76 -0.05 0.87 -1.00 0.00 0.00 179.01 179.67 3hx7 h LYS 59 N 0.46 0.68 -0.31 2.33 1.79 -0.88 -0.90 116.57 119.74 3hx7 h LYS 59 Ca 0.06 -0.24 -0.02 0.00 -2.18 0.00 0.00 60.65 58.27 3hx7 h LYS 59 Cb 0.72 -0.05 -0.02 0.00 -1.58 0.00 0.00 32.23 31.31 3hx7 h LYS 59 CO 0.06 0.82 0.12 -0.09 -1.08 0.00 0.00 179.45 179.27 3hx7 h ARG 60 N 0.48 0.43 -0.33 3.15 2.43 -1.19 0.10 114.38 119.45 3hx7 h ARG 60 Ca 0.10 -0.05 -0.14 0.00 -0.81 0.00 0.00 59.98 59.08 3hx7 h ARG 60 Cb 0.55 -0.08 -0.01 0.00 -0.42 0.00 0.00 29.97 30.00 3hx7 h ARG 60 CO 0.03 0.36 -0.35 0.93 -1.51 0.00 0.00 179.97 179.43 3hx7 h GLU 61 N 0.43 0.74 0.44 0.20 5.08 -0.87 -2.32 114.58 118.27 3hx7 h GLU 61 Ca 0.11 -0.36 -0.02 0.00 -1.00 0.00 0.00 59.36 58.09 3hx7 h GLU 61 Cb 0.09 -0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.35 3hx7 h GLU 61 CO -0.01 0.98 -0.21 0.78 -1.00 0.00 0.00 179.01 179.54 3hx7 h GLY 62 N 0.95 -0.61 2.00 -3.84 0.00 0.40 -0.27 103.07 101.70 3hx7 h GLY 62 Ca 0.06 0.23 -0.06 0.00 0.00 0.00 0.00 47.33 47.55 3hx7 h GLY 62 CO 0.08 -0.22 -0.30 0.10 0.00 0.00 0.00 176.54 176.19 3hx7 h TYR 63 N -0.61 0.00 -0.18 5.60 -0.00 -1.27 -1.76 116.97 118.76 3hx7 h TYR 63 Ca -0.06 0.00 -0.15 0.00 0.00 0.00 0.00 58.73 58.52 3hx7 h TYR 63 Cb 0.46 0.00 -0.01 0.00 0.00 0.00 0.00 36.73 37.18 3hx7 h TYR 63 CO -0.04 0.30 -0.52 0.93 -0.00 0.00 0.00 178.16 178.83 3hx7 h GLU 64 N 0.00 0.51 -0.07 0.10 5.08 -1.20 -0.17 114.58 118.83 3hx7 h GLU 64 Ca -0.00 -0.31 -0.11 0.00 -1.00 0.00 0.00 59.36 57.93 3hx7 h GLU 64 Cb 0.57 0.03 -0.01 0.00 0.50 0.00 0.00 28.75 29.83 3hx7 h GLU 64 CO 0.04 0.91 -0.48 -0.09 -1.00 0.00 0.00 179.01 178.39 3hx7 h ARG 65 N 0.40 0.18 0.62 2.33 2.43 -0.51 -0.46 114.38 119.36 3hx7 h ARG 65 Ca 0.01 -0.09 -0.03 0.00 -0.81 0.00 0.00 59.98 59.06 3hx7 h ARG 65 Cb 1.05 0.00 0.01 0.00 -0.42 0.00 0.00 29.97 30.61 3hx7 h ARG 65 CO 0.10 0.62 -0.30 -0.07 -1.51 0.00 0.00 179.97 178.80 3hx7 h LEU 66 N 0.14 -0.71 -1.68 3.80 3.38 -1.02 -1.84 115.31 117.38 3hx7 h LEU 66 Ca 0.01 0.01 0.22 0.00 0.09 0.00 0.00 57.88 58.21 3hx7 h LEU 66 Cb 0.90 0.18 -0.06 0.00 0.09 0.00 0.00 40.66 41.77 3hx7 h LEU 66 CO 0.07 -0.32 0.60 -0.07 0.09 0.00 0.00 178.44 178.81 3hx7 h LEU 67 N -1.21 0.26 -0.44 1.67 3.38 -0.98 0.53 115.31 118.53 3hx7 h LEU 67 Ca -0.09 0.03 -0.16 0.00 0.09 0.00 0.00 57.88 57.75 3hx7 h LEU 67 Cb 0.65 -0.02 -0.01 0.00 0.09 0.00 0.00 40.66 41.38 3hx7 h LEU 67 CO 0.14 0.10 -0.45 0.50 0.09 0.00 0.00 178.44 178.82 3hx7 h LYS 68 N 0.26 0.81 -0.37 1.13 1.63 -1.01 -2.90 116.57 116.12 3hx7 h LYS 68 Ca 0.45 -0.46 -0.12 0.00 -0.85 0.00 0.00 60.65 59.67 3hx7 h LYS 68 Cb 1.33 0.03 -0.01 0.00 -0.60 0.00 0.00 32.23 32.98 3hx7 h LYS 68 CO -0.12 1.09 -0.26 1.98 -3.45 0.00 0.00 179.45 178.69 3hx7 h MET 69 N 0.64 0.76 0.31 1.90 4.05 0.76 -2.74 114.93 120.62 3hx7 h MET 69 Ca 0.04 -0.33 0.00 0.00 -0.28 0.00 0.00 59.70 59.13 3hx7 h MET 69 Cb 1.03 -0.03 -0.03 0.00 -0.80 0.00 0.00 31.60 31.77 3hx7 h MET 69 CO 0.10 0.94 -0.44 0.37 0.23 0.00 0.00 176.91 178.11 3hx7 h GLN 70 N 0.66 -0.77 0.00 0.39 5.75 -0.42 -1.50 115.11 119.20 3hx7 h GLN 70 Ca 0.08 0.05 -0.00 0.00 -0.15 0.00 0.00 58.65 58.63 3hx7 h GLN 70 Cb 0.78 0.18 -0.00 0.00 1.07 0.00 0.00 27.48 29.51 3hx7 h GLN 70 CO 0.06 -0.52 -0.01 -0.91 -2.65 0.00 0.00 178.83 174.80 3hx7 h ASN 71 N -0.80 0.00 0.07 -0.69 4.21 -1.51 -0.53 115.58 116.32 3hx7 h ASN 71 Ca -0.02 0.00 -0.17 0.00 1.21 0.00 0.00 56.30 57.32 3hx7 h ASN 71 Cb 0.75 0.00 -0.00 0.00 -1.12 0.00 0.00 38.32 37.94 3hx7 h ASN 71 CO -0.14 0.01 -0.61 1.56 -1.29 0.00 0.00 177.43 176.97 3hx7 h GLN 72 N 0.00 0.54 0.00 0.81 4.20 -0.97 -3.05 115.11 116.63 3hx7 h GLN 72 Ca -0.00 -0.37 -0.06 0.00 0.06 0.00 0.00 58.65 58.28 3hx7 h GLN 72 Cb 0.04 0.05 -0.01 0.00 0.30 0.00 0.00 27.48 27.87 3hx7 h GLN 72 CO 0.00 0.98 -0.52 0.00 -0.67 0.00 0.00 178.83 178.63 3hx7 h ARG 73 N 0.40 0.00 0.00 1.46 2.47 -0.88 -3.48 114.38 114.36 3hx7 h ARG 73 Ca -0.01 0.00 0.00 0.00 -1.26 0.00 0.00 59.98 58.71 3hx7 h ARG 73 Cb 1.16 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 29.48 3hx7 h ARG 73 CO 0.11 0.24 0.00 0.41 0.56 0.00 0.00 179.97 181.30 3hx7 n GLY 74 N 1.20 1.04 3.56 0.04 0.00 -0.82 -3.53 105.19 106.68 3hx7 n GLY 74 Ca 0.01 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.73 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 -1.17 1.58 -0.06 -0.02 0.00 -0.27 -4.54 107.32 102.85 3hx7 s GLY 75 Ca 0.00 -1.05 0.01 0.00 0.00 0.00 0.00 44.72 43.68 3hx7 s GLY 75 CO 0.00 -0.11 -0.05 0.50 0.00 0.00 0.00 173.10 173.44 3hx7 s ARG 76 N -5.48 1.02 0.16 2.90 1.81 -1.26 -4.37 118.95 113.73 3hx7 s ARG 76 Ca 0.72 -0.14 -0.30 0.00 -1.72 0.00 0.00 55.73 54.28 3hx7 s ARG 76 Cb -0.08 -1.03 -0.07 0.00 -0.45 0.00 0.00 34.95 33.32 3hx7 s ARG 76 CO 0.56 -0.11 1.13 0.00 -0.68 0.00 0.00 175.30 176.20 3hx7 s ALA 77 N 1.09 3.38 -0.07 2.13 0.00 -1.26 -5.00 121.76 122.03 3hx7 s ALA 77 Ca -0.08 0.84 0.00 0.00 0.00 0.00 0.00 51.96 52.72 3hx7 s ALA 77 Cb -0.14 -3.38 0.02 0.00 0.00 0.00 0.00 23.12 19.62 3hx7 s ALA 77 CO -0.01 -0.27 -0.06 -0.51 0.00 0.00 0.00 175.76 174.91 3hx7 s LEU 78 N -0.11 1.21 -0.11 0.00 1.43 -1.26 -5.14 118.68 114.70 3hx7 s LEU 78 Ca 0.51 -0.20 -0.02 0.00 -1.03 0.00 0.00 54.13 53.39 3hx7 s LEU 78 Cb -0.30 -0.63 -0.03 0.00 0.03 0.00 0.00 46.19 45.26 3hx7 s LEU 78 CO 0.34 -0.08 -0.02 -0.36 0.23 0.00 0.00 176.35 176.46 3hx7 s PHE 79 N 1.28 3.07 0.42 0.29 0.08 -1.26 -4.89 117.98 116.97 3hx7 s PHE 79 Ca -0.04 -0.00 0.07 0.00 0.12 0.00 0.00 56.93 57.08 3hx7 s PHE 79 Cb -0.14 -1.84 -0.04 0.00 -0.57 0.00 0.00 43.02 40.43 3hx7 s PHE 79 CO -0.02 0.27 0.23 -0.65 -0.10 0.00 0.00 175.22 174.94 3hx7 s GLN 80 N -0.41 2.29 0.70 0.44 -1.52 -1.26 -5.09 119.66 114.81 3hx7 s GLN 80 Ca 0.07 -1.79 -0.16 0.00 -1.95 0.00 0.00 55.36 51.53 3hx7 s GLN 80 Cb -0.12 -2.07 -0.02 0.00 -0.22 0.00 0.00 33.01 30.58 3hx7 s GLN 80 CO 0.02 -0.15 0.79 -0.25 -0.25 0.00 0.00 175.29 175.45 3hx7 n ASP 81 N -1.32 -0.14 -4.29 5.90 10.43 -1.26 -4.95 116.55 120.91 3hx7 n ASP 81 Ca -0.00 0.66 -0.39 0.00 2.57 0.00 0.00 54.79 57.63 3hx7 n ASP 81 Cb 0.64 -1.33 -0.12 0.00 1.84 0.00 0.00 41.12 42.16 3hx7 n ASP 81 CO 0.00 0.00 0.00 -0.63 -1.07 0.00 0.00 177.20 175.50 3hx7 s ILE 82 N -1.81 4.02 0.12 0.53 1.01 -1.26 -5.07 121.20 118.75 3hx7 s ILE 82 Ca 0.71 -1.15 -0.31 0.00 0.00 0.00 0.00 60.65 59.90 3hx7 s ILE 82 Cb -0.36 -3.32 -0.09 0.00 0.01 0.00 0.00 42.46 38.70 3hx7 s ILE 82 CO 0.53 -0.26 1.64 -0.54 0.00 0.00 0.00 174.94 176.31 3hx7 s LYS 83 N 1.43 4.19 0.77 2.79 1.02 -1.26 -4.97 119.74 123.72 3hx7 s LYS 83 Ca 0.00 2.39 -0.15 0.00 0.02 0.00 0.00 55.97 58.23 3hx7 s LYS 83 Cb -0.20 -3.39 -0.01 0.00 -0.52 0.00 0.00 37.83 33.71 3hx7 s LYS 83 CO 0.03 -0.70 0.61 0.36 -0.92 0.00 0.00 175.35 174.73 3hx7 n LYS 84 N 4.87 0.20 -1.40 1.68 2.85 -1.26 -4.90 118.16 120.21 3hx7 n LYS 84 Ca 0.15 0.12 -0.34 0.00 -1.05 0.00 0.00 58.31 57.19 3hx7 n LYS 84 Cb 0.39 -1.93 0.10 0.00 -0.65 0.00 0.00 35.03 32.94 3hx7 n LYS 84 CO 0.00 0.00 0.00 -2.14 -0.05 0.00 0.00 177.40 175.21 3hx7 s PRO 85 N -3.10 2.09 0.19 -1.58 0.02 -1.26 -4.89 135.00 126.48 3hx7 s PRO 85 Ca 0.65 1.73 0.15 0.00 0.02 0.00 0.00 61.00 63.55 3hx7 s PRO 85 Cb -0.32 -1.83 0.75 0.00 0.02 0.00 0.00 34.50 33.13 3hx7 s PRO 85 CO 0.58 -1.86 1.46 0.00 -0.33 0.00 0.00 177.00 176.84 3hx7 n ALA 86 N -2.81 1.16 -2.37 -1.55 0.00 -1.26 -4.74 120.51 108.94 3hx7 n ALA 86 Ca 0.13 0.11 -0.08 0.00 0.00 0.00 0.00 53.44 53.60 3hx7 n ALA 86 Cb 0.50 -1.23 -0.08 0.00 0.00 0.00 0.00 19.45 18.65 3hx7 n ALA 86 CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 177.50 176.29 3hx7 s GLU 87 N -3.31 0.77 -0.01 0.00 0.41 -1.26 -5.03 118.70 110.26 3hx7 s GLU 87 Ca -0.00 -1.08 0.10 0.00 -0.41 0.00 0.00 54.97 53.58 3hx7 s GLU 87 Cb 0.05 0.29 -0.14 0.00 -1.78 0.00 0.00 34.13 32.55 3hx7 s GLU 87 CO 0.17 -0.21 0.24 -0.25 -0.49 0.00 0.00 175.26 174.72 3hx7 n ASP 88 N -0.00 2.44 -3.81 -0.19 8.00 -1.26 -4.95 116.55 116.78 3hx7 n ASP 88 Ca -0.14 -0.10 -0.15 0.00 0.71 0.00 0.00 54.79 55.10 3hx7 n ASP 88 Cb 0.62 1.38 -0.16 0.00 -0.02 0.00 0.00 41.12 42.94 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 -2.57 0.11 -0.17 -1.24 2.02 -1.26 -5.04 118.70 110.55 3hx7 s GLU 89 Ca -0.03 0.11 0.16 0.00 0.02 0.00 0.00 54.97 55.23 3hx7 s GLU 89 Cb 0.06 -0.32 0.67 0.00 0.10 0.00 0.00 34.13 34.64 3hx7 s GLU 89 CO 0.40 -0.13 1.58 0.91 0.02 0.00 0.00 175.26 178.05 3hx7 n TRP 90 N 4.00 1.45 -2.19 1.61 7.02 -1.26 -5.07 117.44 123.01 3hx7 n TRP 90 Ca -0.25 -0.74 0.00 0.00 -1.02 0.00 0.00 57.50 55.49 3hx7 n TRP 90 Cb 0.51 -0.35 0.00 0.00 -2.42 0.00 0.00 31.31 29.05 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 0.33 3.17 3.96 6.99 0.00 -1.26 -3.82 105.19 114.56 3hx7 n GLY 91 Ca 0.24 -0.22 -0.23 0.00 0.00 0.00 0.00 46.02 45.81 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 2.26 0.15 1.61 1.02 -1.26 -4.92 119.74 118.60 3hx7 s LYS 92 Ca 0.00 -0.64 -0.20 0.00 0.02 0.00 0.00 55.97 55.15 3hx7 s LYS 92 Cb 0.00 -2.34 0.04 0.00 -0.52 0.00 0.00 37.83 35.01 3hx7 s LYS 92 CO 0.00 -1.04 1.66 1.15 -0.92 0.00 0.00 175.35 176.20 3hx7 h THR 93 N -0.28 0.56 -0.63 2.17 2.02 -2.00 -2.25 112.91 112.50 3hx7 h THR 93 Ca -0.42 0.00 -0.00 0.00 0.77 0.00 0.00 66.41 66.76 3hx7 h THR 93 Cb 1.30 0.56 -0.03 0.00 -1.74 0.00 0.00 68.15 68.23 3hx7 h THR 93 CO 0.53 0.00 0.39 -0.65 0.37 0.00 0.00 175.52 176.16 3hx7 h PRO 94 N -0.12 0.84 0.10 6.66 0.11 -1.95 -0.38 132.00 137.26 3hx7 h PRO 94 Ca 0.14 -0.06 -0.00 0.00 0.11 0.00 0.00 66.00 66.19 3hx7 h PRO 94 Cb 0.34 -0.18 0.00 0.00 0.11 0.00 0.00 31.00 31.26 3hx7 h PRO 94 CO -0.35 0.58 -0.05 -0.44 -0.21 0.00 0.00 178.00 177.54 3hx7 h ASP 95 N 0.86 -0.11 0.06 -2.05 3.45 -1.74 -0.56 116.42 116.33 3hx7 h ASP 95 Ca 0.23 -0.05 -0.09 0.00 0.43 0.00 0.00 57.03 57.55 3hx7 h ASP 95 Cb -0.05 0.03 -0.01 0.00 -0.56 0.00 0.00 39.33 38.73 3hx7 h ASP 95 CO -0.04 -0.02 -0.27 0.00 -1.57 0.00 0.00 179.24 177.34 3hx7 h ALA 96 N 0.71 1.22 -0.60 3.45 0.00 -1.09 -1.98 119.26 120.98 3hx7 h ALA 96 Ca -0.01 -0.33 -0.07 0.00 0.00 0.00 0.00 54.91 54.50 3hx7 h ALA 96 Cb 0.16 -0.10 -0.03 0.00 0.00 0.00 0.00 17.79 17.82 3hx7 h ALA 96 CO 0.02 0.51 0.09 1.98 0.00 0.00 0.00 179.25 181.85 3hx7 h MET 97 N 0.29 0.98 -0.47 0.00 -1.53 -0.70 -1.10 114.93 112.41 3hx7 h MET 97 Ca 0.04 -0.25 -0.06 0.00 -3.44 0.00 0.00 59.70 55.99 3hx7 h MET 97 Cb 0.63 -0.12 -0.02 0.00 -0.55 0.00 0.00 31.60 31.54 3hx7 h MET 97 CO 0.05 0.92 0.06 0.87 0.14 0.00 0.00 176.91 178.94 3hx7 h LYS 98 N 0.93 0.79 -0.82 0.39 1.57 -0.68 -0.84 116.57 117.90 3hx7 h LYS 98 Ca 0.19 -0.22 0.01 0.00 -1.87 0.00 0.00 60.65 58.76 3hx7 h LYS 98 Cb 0.42 -0.09 -0.04 0.00 0.08 0.00 0.00 32.23 32.60 3hx7 h LYS 98 CO 0.01 0.81 0.54 0.00 -0.57 0.00 0.00 179.45 180.24 3hx7 h ALA 99 N 0.95 1.04 -0.42 3.86 0.00 -1.02 0.56 119.26 124.22 3hx7 h ALA 99 Ca 0.14 -0.05 -0.13 0.00 0.00 0.00 0.00 54.91 54.87 3hx7 h ALA 99 Cb 0.41 -0.33 -0.01 0.00 0.00 0.00 0.00 17.79 17.86 3hx7 h ALA 99 CO 0.01 0.43 -0.24 0.00 0.00 0.00 0.00 179.25 179.45 3hx7 h ALA 100 N 1.30 0.76 -0.68 0.00 0.00 -0.94 0.35 119.26 120.05 3hx7 h ALA 100 Ca 0.30 -0.39 -0.02 0.00 0.00 0.00 0.00 54.91 54.80 3hx7 h ALA 100 Cb -0.12 -0.15 -0.03 0.00 0.00 0.00 0.00 17.79 17.49 3hx7 h ALA 100 CO -0.07 0.66 0.33 1.98 0.00 0.00 0.00 179.25 182.15 3hx7 h MET 101 N 0.76 0.97 0.50 0.00 -1.53 -0.54 -1.53 114.93 113.56 3hx7 h MET 101 Ca 0.10 -0.14 -0.02 0.00 -3.44 0.00 0.00 59.70 56.19 3hx7 h MET 101 Cb 0.80 -0.18 0.00 0.00 -0.55 0.00 0.00 31.60 31.67 3hx7 h MET 101 CO 0.07 0.77 -0.24 0.00 0.14 0.00 0.00 176.91 177.64 3hx7 h ALA 102 N 1.16 -0.67 -0.73 0.39 0.00 -0.57 -1.96 119.26 116.87 3hx7 h ALA 102 Ca 0.23 -0.17 0.21 0.00 0.00 0.00 0.00 54.91 55.19 3hx7 h ALA 102 Cb 0.11 0.26 -0.03 0.00 0.00 0.00 0.00 17.79 18.13 3hx7 h ALA 102 CO -0.03 -0.82 0.57 1.25 0.00 0.00 0.00 179.25 180.21 3hx7 h LEU 103 N -0.78 0.00 0.08 0.00 5.85 -0.68 -1.32 115.31 118.46 3hx7 h LEU 103 Ca -0.07 0.00 -0.12 0.00 0.84 0.00 0.00 57.88 58.53 3hx7 h LEU 103 Cb 0.56 0.00 0.01 0.00 0.37 0.00 0.00 40.66 41.61 3hx7 h LEU 103 CO 0.11 0.00 -0.53 -0.33 -0.34 0.00 0.00 178.44 177.35 3hx7 h GLU 104 N 0.00 0.21 -0.91 1.25 4.39 -0.96 -2.79 114.58 115.78 3hx7 h GLU 104 Ca 0.35 -0.34 0.06 0.00 0.34 0.00 0.00 59.36 59.77 3hx7 h GLU 104 Cb 1.48 0.12 -0.06 0.00 -0.10 0.00 0.00 28.75 30.19 3hx7 h GLU 104 CO -0.00 1.14 0.59 0.87 -1.16 0.00 0.00 179.01 180.45 3hx7 h LYS 105 N -0.54 1.00 0.42 2.33 1.57 -0.52 0.30 116.57 121.13 3hx7 h LYS 105 Ca -0.09 -0.06 -0.01 0.00 -1.87 0.00 0.00 60.65 58.62 3hx7 h LYS 105 Cb 1.40 -0.23 -0.01 0.00 0.08 0.00 0.00 32.23 33.47 3hx7 h LYS 105 CO 0.10 0.66 -0.27 -0.22 -0.57 0.00 0.00 179.45 179.16 3hx7 h LYS 106 N 1.03 -0.64 -0.69 3.15 3.64 -1.34 0.22 116.57 121.94 3hx7 h LYS 106 Ca 0.39 0.04 0.00 0.00 -1.27 0.00 0.00 60.65 59.82 3hx7 h LYS 106 Cb 0.20 0.14 -0.03 0.00 -0.41 0.00 0.00 32.23 32.13 3hx7 h LYS 106 CO -0.15 -0.42 0.45 -0.07 -2.27 0.00 0.00 179.45 176.99 3hx7 h LEU 107 N -0.66 0.80 -0.32 5.20 3.38 -1.04 -1.09 115.31 121.57 3hx7 h LEU 107 Ca -0.05 -0.03 -0.01 0.00 0.09 0.00 0.00 57.88 57.89 3hx7 h LEU 107 Cb 0.54 -0.20 -0.01 0.00 0.09 0.00 0.00 40.66 41.08 3hx7 h LEU 107 CO 0.04 0.59 0.16 -1.13 0.09 0.00 0.00 178.44 178.19 3hx7 h ASN 108 N 0.94 0.42 0.48 -0.43 -1.24 -0.09 0.03 115.58 115.68 3hx7 h ASN 108 Ca 0.25 -0.12 -0.01 0.00 0.71 0.00 0.00 56.30 57.13 3hx7 h ASN 108 Cb -0.10 -0.11 -0.01 0.00 0.73 0.00 0.00 38.32 38.84 3hx7 h ASN 108 CO -0.05 0.42 -0.36 -0.61 -1.29 0.00 0.00 177.43 175.53 3hx7 h GLN 109 N 0.39 -0.79 -0.51 6.67 5.75 -0.07 0.12 115.11 126.66 3hx7 h GLN 109 Ca 0.11 0.05 0.15 0.00 -0.15 0.00 0.00 58.65 58.81 3hx7 h GLN 109 Cb 0.11 0.18 -0.02 0.00 1.07 0.00 0.00 27.48 28.81 3hx7 h GLN 109 CO -0.01 -0.53 0.38 0.00 -2.65 0.00 0.00 178.83 176.02 3hx7 h ALA 110 N -0.42 2.46 -0.16 3.38 0.00 -1.14 0.39 119.26 123.77 3hx7 h ALA 110 Ca -0.05 -0.02 -0.15 0.00 0.00 0.00 0.00 54.91 54.69 3hx7 h ALA 110 Cb 0.70 0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.53 3hx7 h ALA 110 CO 0.01 -0.64 -0.49 -0.07 0.00 0.00 0.00 179.25 178.06 3hx7 h LEU 111 N 0.00 0.70 -0.66 0.00 3.38 0.28 -2.17 115.31 116.85 3hx7 h LEU 111 Ca 0.24 -0.60 -0.12 0.00 0.09 0.00 0.00 57.88 57.50 3hx7 h LEU 111 Cb 1.00 -0.20 -0.01 0.00 0.09 0.00 0.00 40.66 41.53 3hx7 h LEU 111 CO -0.00 1.18 -0.23 -0.07 0.09 0.00 0.00 178.44 179.40 3hx7 h LEU 112 N 0.26 0.82 0.71 1.67 3.38 0.18 -1.70 115.31 120.63 3hx7 h LEU 112 Ca -0.02 -0.30 -0.03 0.00 0.09 0.00 0.00 57.88 57.62 3hx7 h LEU 112 Cb 1.11 -0.22 -0.00 0.00 0.09 0.00 0.00 40.66 41.63 3hx7 h LEU 112 CO 0.10 1.02 -0.41 0.44 0.09 0.00 0.00 178.44 179.68 3hx7 h ASP 113 N 0.70 -1.02 -0.29 -0.43 3.45 -0.36 0.07 116.42 118.54 3hx7 h ASP 113 Ca 0.09 0.05 0.08 0.00 0.43 0.00 0.00 57.03 57.69 3hx7 h ASP 113 Cb 0.76 0.29 -0.01 0.00 -0.56 0.00 0.00 39.33 39.81 3hx7 h ASP 113 CO 0.06 -0.65 0.24 0.25 -1.57 0.00 0.00 179.24 177.57 3hx7 h LEU 114 N -1.05 0.00 -0.22 1.55 5.85 -1.31 0.21 115.31 120.35 3hx7 h LEU 114 Ca -0.09 0.00 -0.20 0.00 0.84 0.00 0.00 57.88 58.43 3hx7 h LEU 114 Cb 0.84 0.00 0.01 0.00 0.37 0.00 0.00 40.66 41.87 3hx7 h LEU 114 CO 0.11 0.00 -0.64 -0.74 -0.34 0.00 0.00 178.44 176.82 3hx7 h HIS 115 N 0.00 1.07 0.23 1.25 2.76 -0.72 -2.12 115.15 117.61 3hx7 h HIS 115 Ca 0.14 -0.43 -0.00 0.00 -2.20 0.00 0.00 60.37 57.88 3hx7 h HIS 115 Cb 0.61 -0.18 -0.01 0.00 1.55 0.00 0.00 27.41 29.38 3hx7 h HIS 115 CO 0.00 1.26 -0.18 0.00 -1.30 0.00 0.00 177.93 177.70 3hx7 h ALA 116 N 0.61 -0.40 -0.79 5.26 0.00 0.13 -2.15 119.26 121.92 3hx7 h ALA 116 Ca -0.02 -0.07 0.15 0.00 0.00 0.00 0.00 54.91 54.98 3hx7 h ALA 116 Cb 1.27 0.25 -0.10 0.00 0.00 0.00 0.00 17.79 19.21 3hx7 h ALA 116 CO 0.14 -0.75 0.33 1.25 0.00 0.00 0.00 179.25 180.22 3hx7 h LEU 117 N -0.42 0.31 -1.08 0.00 5.85 -0.94 -0.13 115.31 118.90 3hx7 h LEU 117 Ca -0.01 0.11 -0.05 0.00 0.84 0.00 0.00 57.88 58.77 3hx7 h LEU 117 Cb 0.38 0.09 -0.02 0.00 0.37 0.00 0.00 40.66 41.47 3hx7 h LEU 117 CO -0.02 0.10 0.10 1.23 -0.34 0.00 0.00 178.44 179.51 3hx7 h GLY 118 N 0.46 0.81 1.05 3.75 0.00 -0.94 -1.41 103.07 106.80 3hx7 h GLY 118 Ca 0.44 -0.47 -0.10 0.00 0.00 0.00 0.00 47.33 47.21 3hx7 h GLY 118 CO -0.42 0.44 -0.07 1.76 0.00 0.00 0.00 176.54 178.25 3hx7 h SER 119 N 0.73 0.95 0.56 0.19 0.02 -0.42 0.35 113.55 115.92 3hx7 h SER 119 Ca 0.16 -0.34 -0.02 0.00 -0.84 0.00 0.00 61.79 60.75 3hx7 h SER 119 Cb 0.30 -0.26 -0.01 0.00 0.14 0.00 0.00 62.40 62.57 3hx7 h SER 119 CO 0.00 1.06 -0.41 0.00 -1.14 0.00 0.00 176.83 176.34 3hx7 h ALA 120 N 0.92 -0.99 0.00 3.77 0.00 -1.00 -1.45 119.26 120.52 3hx7 h ALA 120 Ca 0.14 -0.18 0.00 0.00 0.00 0.00 0.00 54.91 54.87 3hx7 h ALA 120 Cb 0.62 0.54 0.00 0.00 0.00 0.00 0.00 17.79 18.95 3hx7 h ALA 120 CO 0.04 -1.08 0.00 0.54 0.00 0.00 0.00 179.25 178.75 3hx7 n ARG 121 N -5.53 0.84 -3.92 0.00 5.12 -0.56 -4.88 116.66 107.74 3hx7 n ARG 121 Ca -0.12 0.00 -0.37 0.00 -1.93 0.00 0.00 57.85 55.43 3hx7 n ARG 121 Cb 0.42 -1.08 0.02 0.00 -1.16 0.00 0.00 32.46 30.66 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 -0.39 -3.46 -3.78 0.55 -2.24 -0.51 -4.96 114.28 99.48 3hx7 n THR 122 Ca 0.00 -0.43 -0.36 0.00 -2.27 0.00 0.00 64.05 60.99 3hx7 n THR 122 Cb 0.04 -2.85 -0.11 0.00 -2.10 0.00 0.00 70.33 65.31 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 -3.32 5.22 0.13 3.42 -1.08 0.11 -4.97 116.67 116.18 3hx7 s ASP 123 Ca 0.31 -2.19 -0.13 0.00 -0.52 0.00 0.00 52.55 50.03 3hx7 s ASP 123 Cb -0.16 -1.82 -0.02 0.00 -1.46 0.00 0.00 42.92 39.46 3hx7 s ASP 123 CO 0.93 -0.51 1.54 1.55 0.52 0.00 0.00 175.17 179.21 3hx7 h PRO 124 N 7.84 0.83 -0.40 4.34 0.13 -1.93 -3.04 132.00 139.78 3hx7 h PRO 124 Ca -0.11 -0.32 0.05 0.00 -0.87 0.00 0.00 66.00 64.75 3hx7 h PRO 124 Cb 1.03 -0.05 -0.04 0.00 0.13 0.00 0.00 31.00 32.07 3hx7 h PRO 124 CO 0.70 0.95 0.14 1.25 -0.23 0.00 0.00 178.00 180.81 3hx7 h HIS 125 N 0.65 0.26 -0.10 1.56 2.76 -1.97 0.12 115.15 118.43 3hx7 h HIS 125 Ca 0.11 0.02 -0.05 0.00 -2.20 0.00 0.00 60.37 58.24 3hx7 h HIS 125 Cb 0.65 -0.06 -0.01 0.00 1.55 0.00 0.00 27.41 29.54 3hx7 h HIS 125 CO 0.05 0.11 -0.19 1.25 -1.30 0.00 0.00 177.93 177.85 3hx7 h LEU 126 N 0.31 0.15 -0.32 0.26 5.85 -1.97 -0.65 115.31 118.95 3hx7 h LEU 126 Ca 0.18 -0.03 -0.17 0.00 0.84 0.00 0.00 57.88 58.70 3hx7 h LEU 126 Cb 0.16 -0.04 -0.00 0.00 0.37 0.00 0.00 40.66 41.14 3hx7 h LEU 126 CO -0.18 0.35 -0.45 0.00 -0.34 0.00 0.00 178.44 177.83 3hx7 h ASP 128 N 0.66 0.63 -0.91 0.00 3.58 -0.63 -1.92 116.42 117.83 3hx7 h ASP 128 Ca 0.03 -0.44 0.09 0.00 0.42 0.00 0.00 57.03 57.13 3hx7 h ASP 128 Cb 1.05 -0.18 -0.07 0.00 1.72 0.00 0.00 39.33 41.86 3hx7 h ASP 128 CO 0.10 0.94 0.58 0.15 -2.88 0.00 0.00 179.24 178.14 3hx7 h PHE 129 N 0.33 0.99 0.00 0.28 3.04 -1.08 0.20 116.94 120.70 3hx7 h PHE 129 Ca 0.05 0.03 -0.13 0.00 3.98 0.00 0.00 57.97 61.90 3hx7 h PHE 129 Cb 0.74 -0.32 -0.02 0.00 2.56 0.00 0.00 35.95 38.91 3hx7 h PHE 129 CO 0.07 0.46 -0.61 -0.07 -2.02 0.00 0.00 178.31 176.14 3hx7 h LEU 130 N 0.93 0.00 -0.06 0.59 3.38 -1.26 -2.82 115.31 116.07 3hx7 h LEU 130 Ca 0.42 0.00 -0.08 0.00 0.09 0.00 0.00 57.88 58.30 3hx7 h LEU 130 Cb 0.37 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.13 3hx7 h LEU 130 CO -0.18 0.61 -0.30 -0.33 0.09 0.00 0.00 178.44 178.34 3hx7 h GLU 131 N 0.00 0.30 0.04 1.13 5.08 -0.37 0.33 114.58 121.09 3hx7 h GLU 131 Ca -0.01 -0.25 -0.00 0.00 -1.00 0.00 0.00 59.36 58.10 3hx7 h GLU 131 Cb 1.46 0.05 0.00 0.00 0.50 0.00 0.00 28.75 30.76 3hx7 h GLU 131 CO 0.08 0.90 -0.02 1.15 -1.00 0.00 0.00 179.01 180.12 3hx7 h THR 132 N -0.22 1.28 -0.02 1.13 2.02 -0.75 -3.36 112.91 112.99 3hx7 h THR 132 Ca -0.02 -1.05 0.00 0.00 0.77 0.00 0.00 66.41 66.11 3hx7 h THR 132 Cb 0.96 1.97 0.00 0.00 -1.74 0.00 0.00 68.15 69.34 3hx7 h THR 132 CO 0.06 0.26 -0.12 1.41 0.37 0.00 0.00 175.52 177.51 3hx7 n HIS 133 N -4.89 0.00 0.00 3.16 8.25 -1.06 -4.84 115.22 115.83 3hx7 n HIS 133 Ca -0.08 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.38 3hx7 n HIS 133 Cb 0.24 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.35 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 0.80 0.00 0.22 4.41 3.72 -1.04 -4.79 117.46 120.77 3hx7 n PHE 134 Ca 0.11 0.00 -0.15 0.00 -0.05 0.00 0.00 57.45 57.36 3hx7 n PHE 134 Cb 0.48 0.20 -0.07 0.00 -0.94 0.00 0.00 39.48 39.15 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 -0.88 -0.62 4.37 3.38 -1.08 -2.58 115.31 117.90 3hx7 h LEU 135 Ca 0.00 0.08 -0.11 0.00 0.09 0.00 0.00 57.88 57.94 3hx7 h LEU 135 Cb 0.32 0.29 -0.02 0.00 0.09 0.00 0.00 40.66 41.35 3hx7 h LEU 135 CO 0.00 -0.47 -0.11 -0.78 0.09 0.00 0.00 178.44 177.17 3hx7 h ASP 136 N -0.69 0.97 -0.81 -0.43 -0.00 -1.84 -2.43 116.42 111.18 3hx7 h ASP 136 Ca -0.02 -0.31 0.10 0.00 -0.00 0.00 0.00 57.03 56.80 3hx7 h ASP 136 Cb 0.62 -0.26 -0.08 0.00 -0.00 0.00 0.00 39.33 39.61 3hx7 h ASP 136 CO -0.05 1.08 0.45 -0.33 -0.00 0.00 0.00 179.24 180.39 3hx7 h GLU 137 N 0.86 0.72 -0.05 0.28 4.39 -1.86 -1.33 114.58 117.59 3hx7 h GLU 137 Ca 0.14 -0.04 -0.01 0.00 0.34 0.00 0.00 59.36 59.78 3hx7 h GLU 137 Cb 0.66 -0.16 -0.00 0.00 -0.10 0.00 0.00 28.75 29.14 3hx7 h GLU 137 CO 0.05 0.48 -0.02 0.93 -1.16 0.00 0.00 179.01 179.29 3hx7 h GLU 138 N 0.74 0.11 -0.39 2.33 4.39 -1.29 -1.73 114.58 118.73 3hx7 h GLU 138 Ca 0.40 -0.04 0.08 0.00 0.34 0.00 0.00 59.36 60.13 3hx7 h GLU 138 Cb 0.41 -0.01 -0.07 0.00 -0.10 0.00 0.00 28.75 28.99 3hx7 h GLU 138 CO -0.27 0.45 -0.03 0.28 -1.16 0.00 0.00 179.01 178.28 3hx7 h VAL 139 N -0.25 0.67 0.55 3.13 2.07 -1.07 -0.58 116.25 120.78 3hx7 h VAL 139 Ca 0.01 -0.02 -0.02 0.00 0.82 0.00 0.00 66.70 67.49 3hx7 h VAL 139 Cb 0.42 0.60 -0.01 0.00 -1.52 0.00 0.00 31.29 30.77 3hx7 h VAL 139 CO 0.01 0.01 -0.36 0.11 0.02 0.00 0.00 177.57 177.36 3hx7 h LYS 140 N 0.07 -0.84 -0.91 1.57 1.57 -1.24 -1.36 116.57 115.42 3hx7 h LYS 140 Ca 0.19 0.06 0.18 0.00 -1.87 0.00 0.00 60.65 59.21 3hx7 h LYS 140 Cb 0.28 0.19 -0.07 0.00 0.08 0.00 0.00 32.23 32.71 3hx7 h LYS 140 CO -0.35 -0.56 0.59 1.25 -0.57 0.00 0.00 179.45 179.81 3hx7 h LEU 141 N -0.87 0.54 -0.16 2.94 5.85 -0.98 0.96 115.31 123.59 3hx7 h LEU 141 Ca -0.06 0.05 -0.11 0.00 0.84 0.00 0.00 57.88 58.59 3hx7 h LEU 141 Cb 0.72 -0.05 0.00 0.00 0.37 0.00 0.00 40.66 41.70 3hx7 h LEU 141 CO 0.05 0.23 -0.34 0.40 -0.34 0.00 0.00 178.44 178.44 3hx7 h ILE 142 N 0.54 1.35 -0.67 4.05 2.04 -0.81 -0.78 117.51 123.23 3hx7 h ILE 142 Ca 0.48 -1.60 0.02 0.00 1.00 0.00 0.00 64.86 64.76 3hx7 h ILE 142 Cb 1.00 1.97 -0.04 0.00 -0.74 0.00 0.00 36.82 39.01 3hx7 h ILE 142 CO -0.22 0.48 0.45 0.50 0.00 0.00 0.00 178.15 179.36 3hx7 h LYS 143 N 0.15 0.83 0.67 2.37 1.63 -0.08 0.16 116.57 122.30 3hx7 h LYS 143 Ca 0.00 -0.05 -0.03 0.00 -0.85 0.00 0.00 60.65 59.72 3hx7 h LYS 143 Cb 0.94 -0.19 0.01 0.00 -0.60 0.00 0.00 32.23 32.39 3hx7 h LYS 143 CO 0.08 0.55 -0.32 -0.22 -3.45 0.00 0.00 179.45 176.09 3hx7 h LYS 144 N 0.86 -0.87 -0.61 1.90 3.64 -0.71 -0.71 116.57 120.08 3hx7 h LYS 144 Ca 0.26 0.06 0.14 0.00 -1.27 0.00 0.00 60.65 59.84 3hx7 h LYS 144 Cb -0.02 0.20 -0.03 0.00 -0.41 0.00 0.00 32.23 31.97 3hx7 h LYS 144 CO -0.06 -0.58 0.42 0.52 -2.27 0.00 0.00 179.45 177.48 3hx7 h MET 145 N -1.06 0.19 -0.07 1.90 2.86 -0.79 0.23 114.93 118.19 3hx7 h MET 145 Ca -0.09 -0.01 -0.01 0.00 -2.06 0.00 0.00 59.70 57.53 3hx7 h MET 145 Cb 0.69 -0.04 -0.00 0.00 0.06 0.00 0.00 31.60 32.30 3hx7 h MET 145 CO 0.15 0.13 0.00 0.78 1.06 0.00 0.00 176.91 179.03 3hx7 h GLY 146 N 0.20 0.14 0.89 8.32 0.00 -0.52 -0.38 103.07 111.72 3hx7 h GLY 146 Ca 0.29 -0.10 0.03 0.00 0.00 0.00 0.00 47.33 47.55 3hx7 h GLY 146 CO -0.05 0.09 0.45 -0.55 0.00 0.00 0.00 176.54 176.47 3hx7 h ASP 147 N -0.16 0.74 -0.25 0.19 3.32 0.54 -1.46 116.42 119.33 3hx7 h ASP 147 Ca 0.02 -0.00 0.03 0.00 0.02 0.00 0.00 57.03 57.09 3hx7 h ASP 147 Cb 0.34 -0.16 -0.03 0.00 0.22 0.00 0.00 39.33 39.70 3hx7 h ASP 147 CO 0.00 0.52 0.07 0.45 -1.72 0.00 0.00 179.24 178.56 3hx7 h HIS 148 N 0.88 0.13 -0.18 4.55 3.86 -0.85 -1.66 115.15 121.88 3hx7 h HIS 148 Ca 0.28 0.01 0.04 0.00 -1.16 0.00 0.00 60.37 59.54 3hx7 h HIS 148 Cb -0.00 -0.02 -0.04 0.00 1.06 0.00 0.00 27.41 28.40 3hx7 h HIS 148 CO -0.04 0.06 -0.09 -0.07 0.86 0.00 0.00 177.93 178.65 3hx7 h LEU 149 N 0.18 -0.30 -0.57 2.43 3.38 -0.49 0.10 115.31 120.05 3hx7 h LEU 149 Ca 0.11 0.07 0.07 0.00 0.09 0.00 0.00 57.88 58.22 3hx7 h LEU 149 Cb 0.09 0.17 -0.06 0.00 0.09 0.00 0.00 40.66 40.95 3hx7 h LEU 149 CO -0.12 -0.12 0.26 0.74 0.09 0.00 0.00 178.44 179.29 3hx7 h THR 150 N -0.08 0.88 -0.36 0.22 2.02 -0.96 -0.49 112.91 114.15 3hx7 h THR 150 Ca 0.10 -0.17 -0.07 0.00 0.77 0.00 0.00 66.41 67.04 3hx7 h THR 150 Cb 0.22 0.35 -0.01 0.00 -1.74 0.00 0.00 68.15 66.97 3hx7 h THR 150 CO -0.23 0.09 -0.05 0.78 0.37 0.00 0.00 175.52 176.48 3hx7 h ASN 151 N 0.49 0.66 -0.94 4.18 2.35 -0.86 -2.48 115.58 118.98 3hx7 h ASN 151 Ca 0.27 -0.34 0.02 0.00 -0.55 0.00 0.00 56.30 55.70 3hx7 h ASN 151 Cb 0.24 -0.18 -0.05 0.00 0.05 0.00 0.00 38.32 38.38 3hx7 h ASN 151 CO -0.22 0.85 0.61 -0.07 -1.65 0.00 0.00 177.43 176.95 3hx7 h LEU 152 N 0.46 1.04 -0.91 1.61 3.38 -0.23 -1.64 115.31 119.04 3hx7 h LEU 152 Ca 0.10 -0.02 -0.05 0.00 0.09 0.00 0.00 57.88 58.00 3hx7 h LEU 152 Cb 0.54 -0.25 -0.03 0.00 0.09 0.00 0.00 40.66 41.01 3hx7 h LEU 152 CO 0.03 0.74 0.25 -0.74 0.09 0.00 0.00 178.44 178.81 3hx7 h HIS 153 N 1.22 1.07 0.00 1.13 2.76 -0.99 -2.47 115.15 117.87 3hx7 h HIS 153 Ca 0.36 -0.08 -0.04 0.00 -2.20 0.00 0.00 60.37 58.41 3hx7 h HIS 153 Cb -0.07 -0.32 -0.01 0.00 1.55 0.00 0.00 27.41 28.56 3hx7 h HIS 153 CO -0.01 0.83 -0.17 -0.09 -1.30 0.00 0.00 177.93 177.19 3hx7 h ARG 154 N 1.02 0.00 -1.38 5.26 2.43 -0.84 -3.14 114.38 117.73 3hx7 h ARG 154 Ca 0.23 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.40 3hx7 h ARG 154 Cb 0.24 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 29.79 3hx7 h ARG 154 CO -0.01 0.17 0.00 1.28 -1.51 0.00 0.00 179.97 179.90 3hx7 n LEU 155 N -3.89 2.52 -0.05 3.80 4.77 -0.93 -3.40 117.00 119.82 3hx7 n LEU 155 Ca -0.02 -1.23 -0.11 0.00 -0.03 0.00 0.00 56.01 54.63 3hx7 n LEU 155 Cb 0.27 -0.45 -0.04 0.00 -2.33 0.00 0.00 43.42 40.87 3hx7 n LEU 155 CO 0.33 0.44 -0.69 0.61 -1.33 0.00 0.00 177.39 176.75 3hx7 n GLY 156 N 0.80 -0.30 0.00 -0.72 0.00 -1.19 -4.97 105.19 98.81 3hx7 n GLY 156 Ca 0.00 -0.14 0.00 0.00 0.00 0.00 0.00 46.02 45.88 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 2.17 2.73 0.26 -0.02 0.00 -1.22 -4.96 105.19 104.14 3hx7 n GLY 157 Ca -0.19 -1.50 0.04 0.00 0.00 0.00 0.00 46.02 44.37 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 0.29 -0.12 1.61 0.13 -1.99 -2.73 132.00 129.18 3hx7 h PRO 158 Ca 0.00 -0.02 0.00 0.00 -0.87 0.00 0.00 66.00 65.11 3hx7 h PRO 158 Cb 0.00 -0.06 0.00 0.00 0.13 0.00 0.00 31.00 31.07 3hx7 h PRO 158 CO 0.00 0.19 0.00 0.39 -0.23 0.00 0.00 178.00 178.35 3hx7 n GLU 159 N -5.12 0.61 0.00 0.86 1.02 -1.26 -5.14 120.64 111.61 3hx7 n GLU 159 Ca 0.12 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.26 3hx7 n GLU 159 Cb 0.40 -1.06 0.00 0.00 -0.02 0.00 0.00 31.44 30.76 3hx7 n GLU 159 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31