#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3hx7 s SER 2 N 0.00 5.14 0.49 7.83 1.04 -1.26 -5.08 113.70 121.87 3hx7 s SER 2 Ca 0.00 -0.82 -0.23 0.00 0.48 0.00 0.00 55.95 55.38 3hx7 s SER 2 Cb 0.00 0.14 -0.06 0.00 0.10 0.00 0.00 66.02 66.20 3hx7 s SER 2 CO 0.00 -1.22 1.36 -0.55 0.98 0.00 0.00 173.24 173.81 3hx7 s SER 3 N -4.57 5.64 0.35 7.02 0.15 -1.26 -4.92 113.70 116.11 3hx7 s SER 3 Ca 0.58 2.76 0.27 0.00 0.70 0.00 0.00 55.95 60.26 3hx7 s SER 3 Cb -0.06 -2.64 1.15 0.00 -1.71 0.00 0.00 66.02 62.76 3hx7 s SER 3 CO 0.36 -1.32 1.80 0.06 1.20 0.00 0.00 173.24 175.34 3hx7 h GLN 4 N 1.90 0.00 -0.01 5.44 3.07 -1.98 -2.89 115.11 120.64 3hx7 h GLN 4 Ca -0.51 0.00 0.00 0.00 0.09 0.00 0.00 58.65 58.23 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 0.59 0.00 -0.27 0.44 0.09 0.00 0.00 178.83 179.68 3hx7 n ILE 5 N -2.48 0.00 -1.76 1.86 -5.35 -1.26 -5.01 119.36 105.36 3hx7 n ILE 5 Ca 0.01 -0.37 -0.41 0.00 -0.27 0.00 0.00 62.75 61.71 3hx7 n ILE 5 Cb 0.22 1.21 -0.01 0.00 -1.74 0.00 0.00 39.64 39.32 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 0.03 2.69 -3.57 6.28 0.63 -1.09 -4.78 116.66 116.85 3hx7 n ARG 6 Ca 0.07 0.95 -0.02 0.00 -0.92 0.00 0.00 57.85 57.93 3hx7 n ARG 6 Cb 0.34 -2.71 -0.05 0.00 0.45 0.00 0.00 32.46 30.48 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 -1.27 0.48 -1.85 -0.14 0.74 -1.26 -4.93 119.66 111.43 3hx7 s GLN 7 Ca 0.59 1.04 0.00 0.00 0.05 0.00 0.00 55.36 57.04 3hx7 s GLN 7 Cb -0.49 0.46 0.00 0.00 1.10 0.00 0.00 33.01 34.08 3hx7 s GLN 7 CO 0.56 -0.14 0.00 -1.71 -0.55 0.00 0.00 175.29 173.45 3hx7 n ASN 8 N 4.77 -4.90 -4.25 6.67 2.85 -1.26 -4.93 115.26 114.21 3hx7 n ASN 8 Ca -0.14 0.36 -0.43 0.00 -0.11 0.00 0.00 54.58 54.26 3hx7 n ASN 8 Cb 0.54 -4.32 -0.06 0.00 1.24 0.00 0.00 39.78 37.17 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 -2.62 3.45 0.56 1.20 5.04 -1.26 -4.82 117.35 118.89 3hx7 s TYR 9 Ca 0.00 -1.82 -0.20 0.00 -2.44 0.00 0.00 57.07 52.61 3hx7 s TYR 9 Cb 0.00 -3.63 -0.05 0.00 0.35 0.00 0.00 41.96 38.64 3hx7 s TYR 9 CO 0.00 -0.99 1.23 -1.54 -1.34 0.00 0.00 175.55 172.91 3hx7 s SER 10 N 2.63 5.39 0.50 4.32 1.04 -1.26 -4.91 113.70 121.42 3hx7 s SER 10 Ca 0.09 2.44 0.29 0.00 0.48 0.00 0.00 55.95 59.25 3hx7 s SER 10 Cb -0.23 -2.61 1.13 0.00 0.10 0.00 0.00 66.02 64.41 3hx7 s SER 10 CO -0.02 -1.46 1.90 0.71 0.98 0.00 0.00 173.24 175.35 3hx7 h THR 11 N 1.17 0.19 -0.15 2.02 1.35 -1.98 -1.83 112.91 113.68 3hx7 h THR 11 Ca -0.50 -0.76 -0.16 0.00 -0.55 0.00 0.00 66.41 64.43 3hx7 h THR 11 Cb 1.29 1.64 0.01 0.00 -1.73 0.00 0.00 68.15 69.35 3hx7 h THR 11 CO 0.56 0.08 -0.54 0.44 -0.25 0.00 0.00 175.52 175.81 3hx7 h ASP 12 N 0.00 0.74 -0.05 5.36 3.32 -1.99 -2.20 116.42 121.59 3hx7 h ASP 12 Ca -0.00 -0.61 -0.01 0.00 0.02 0.00 0.00 57.03 56.43 3hx7 h ASP 12 Cb 0.63 -0.22 -0.00 0.00 0.22 0.00 0.00 39.33 39.97 3hx7 h ASP 12 CO 0.01 1.22 0.00 0.58 -1.72 0.00 0.00 179.24 179.33 3hx7 h VAL 13 N 0.30 1.24 -1.00 -1.35 2.07 -1.91 -1.58 116.25 114.02 3hx7 h VAL 13 Ca -0.02 -0.73 0.20 0.00 0.82 0.00 0.00 66.70 66.97 3hx7 h VAL 13 Cb 1.17 1.63 -0.10 0.00 -1.52 0.00 0.00 31.29 32.46 3hx7 h VAL 13 CO 0.11 0.20 0.61 -0.08 0.02 0.00 0.00 177.57 178.44 3hx7 h GLU 14 N -0.19 0.66 -0.09 1.57 4.81 -1.32 -0.13 114.58 119.89 3hx7 h GLU 14 Ca 0.01 -0.04 -0.22 0.00 -0.13 0.00 0.00 59.36 58.98 3hx7 h GLU 14 Cb 0.31 -0.15 0.01 0.00 0.63 0.00 0.00 28.75 29.56 3hx7 h GLU 14 CO 0.00 0.44 -0.81 0.00 -0.73 0.00 0.00 179.01 177.91 3hx7 h ALA 15 N 1.65 0.22 0.00 2.92 0.00 -1.24 -2.90 119.26 119.90 3hx7 h ALA 15 Ca 0.57 -0.62 -0.03 0.00 0.00 0.00 0.00 54.91 54.84 3hx7 h ALA 15 Cb 1.01 0.01 -0.00 0.00 0.00 0.00 0.00 17.79 18.81 3hx7 h ALA 15 CO -0.36 0.62 -0.13 0.00 0.00 0.00 0.00 179.25 179.38 3hx7 h ALA 16 N 0.47 1.34 0.06 0.00 0.00 -0.08 -1.49 119.26 119.56 3hx7 h ALA 16 Ca -0.08 -0.12 -0.00 0.00 0.00 0.00 0.00 54.91 54.71 3hx7 h ALA 16 Cb 1.46 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 19.23 3hx7 h ALA 16 CO 0.16 0.17 -0.03 0.28 0.00 0.00 0.00 179.25 179.83 3hx7 h VAL 17 N 0.00 1.19 -0.09 0.00 2.07 -1.04 -1.22 116.25 117.16 3hx7 h VAL 17 Ca -0.00 -1.52 0.02 0.00 0.82 0.00 0.00 66.70 66.02 3hx7 h VAL 17 Cb 0.34 2.10 -0.00 0.00 -1.52 0.00 0.00 31.29 32.20 3hx7 h VAL 17 CO 0.02 0.34 0.09 0.78 0.02 0.00 0.00 177.57 178.82 3hx7 h ASN 18 N -0.85 0.00 0.00 0.57 2.35 -1.33 0.36 115.58 116.69 3hx7 h ASN 18 Ca -0.01 0.00 -0.22 0.00 -0.55 0.00 0.00 56.30 55.53 3hx7 h ASN 18 Cb 0.63 0.00 0.02 0.00 0.05 0.00 0.00 38.32 39.02 3hx7 h ASN 18 CO 0.01 0.00 -0.84 -1.28 -1.65 0.00 0.00 177.43 173.67 3hx7 h SER 19 N 0.00 0.74 -0.32 5.81 0.87 -1.26 -2.78 113.55 116.60 3hx7 h SER 19 Ca 0.04 -0.75 -0.11 0.00 -1.23 0.00 0.00 61.79 59.74 3hx7 h SER 19 Cb 0.22 -0.23 -0.02 0.00 -0.44 0.00 0.00 62.40 61.94 3hx7 h SER 19 CO -0.00 1.39 -0.19 0.25 -0.53 0.00 0.00 176.83 177.75 3hx7 h LEU 20 N 0.16 0.80 -0.50 2.23 5.85 0.39 -1.90 115.31 122.35 3hx7 h LEU 20 Ca -0.11 -0.28 0.04 0.00 0.84 0.00 0.00 57.88 58.38 3hx7 h LEU 20 Cb 1.52 -0.22 -0.04 0.00 0.37 0.00 0.00 40.66 42.29 3hx7 h LEU 20 CO 0.17 0.98 0.26 0.58 -0.34 0.00 0.00 178.44 180.09 3hx7 h VAL 21 N 0.70 0.97 -0.68 1.05 2.07 -0.42 0.07 116.25 120.02 3hx7 h VAL 21 Ca 0.10 -0.17 -0.05 0.00 0.82 0.00 0.00 66.70 67.40 3hx7 h VAL 21 Cb 0.70 0.42 -0.03 0.00 -1.52 0.00 0.00 31.29 30.87 3hx7 h VAL 21 CO 0.05 0.09 0.23 -1.13 0.02 0.00 0.00 177.57 176.83 3hx7 h ASN 22 N 0.50 0.96 0.16 0.57 -0.73 -1.22 -1.11 115.58 114.71 3hx7 h ASN 22 Ca 0.21 -0.16 -0.08 0.00 1.87 0.00 0.00 56.30 58.15 3hx7 h ASN 22 Cb 0.11 -0.25 -0.01 0.00 0.27 0.00 0.00 38.32 38.44 3hx7 h ASN 22 CO -0.14 0.88 -0.28 0.25 -0.37 0.00 0.00 177.43 177.77 3hx7 h LEU 23 N 1.00 0.20 -0.05 0.34 5.85 -0.51 -1.19 115.31 120.95 3hx7 h LEU 23 Ca 0.22 -0.06 -0.05 0.00 0.84 0.00 0.00 57.88 58.83 3hx7 h LEU 23 Cb 0.26 -0.05 0.00 0.00 0.37 0.00 0.00 40.66 41.24 3hx7 h LEU 23 CO -0.01 0.49 -0.16 1.88 -0.34 0.00 0.00 178.44 180.29 3hx7 h TYR 24 N 0.18 0.26 -0.68 1.25 -1.99 -0.33 -1.18 116.97 114.49 3hx7 h TYR 24 Ca 0.03 -0.11 0.10 0.00 2.00 0.00 0.00 58.73 60.75 3hx7 h TYR 24 Cb 0.60 -0.04 -0.04 0.00 2.00 0.00 0.00 36.73 39.24 3hx7 h TYR 24 CO 0.01 0.78 0.45 -0.07 -0.00 0.00 0.00 178.16 179.33 3hx7 h LEU 25 N -0.33 0.47 0.19 3.88 3.38 -1.09 0.30 115.31 122.12 3hx7 h LEU 25 Ca -0.01 0.01 -0.01 0.00 0.09 0.00 0.00 57.88 57.97 3hx7 h LEU 25 Cb 0.79 -0.09 0.00 0.00 0.09 0.00 0.00 40.66 41.46 3hx7 h LEU 25 CO 0.03 0.28 -0.09 -0.61 0.09 0.00 0.00 178.44 178.14 3hx7 h GLN 26 N 0.52 -0.25 -0.26 1.13 5.75 -0.93 -1.24 115.11 119.84 3hx7 h GLN 26 Ca 0.32 0.02 0.01 0.00 -0.15 0.00 0.00 58.65 58.84 3hx7 h GLN 26 Cb 0.54 0.06 -0.02 0.00 1.07 0.00 0.00 27.48 29.13 3hx7 h GLN 26 CO -0.10 -0.08 0.15 0.00 -2.65 0.00 0.00 178.83 176.15 3hx7 h ALA 27 N 0.41 0.32 -0.78 3.38 0.00 0.10 -1.15 119.26 121.54 3hx7 h ALA 27 Ca -0.03 -0.01 0.13 0.00 0.00 0.00 0.00 54.91 55.01 3hx7 h ALA 27 Cb 0.29 -0.07 -0.09 0.00 0.00 0.00 0.00 17.79 17.92 3hx7 h ALA 27 CO 0.04 -0.24 0.36 1.03 0.00 0.00 0.00 179.25 180.45 3hx7 h SER 28 N 0.31 0.42 -0.52 0.00 0.87 -0.34 -0.51 113.55 113.78 3hx7 h SER 28 Ca 0.10 0.09 -0.04 0.00 -1.23 0.00 0.00 61.79 60.71 3hx7 h SER 28 Cb -0.00 0.03 -0.02 0.00 -0.44 0.00 0.00 62.40 61.96 3hx7 h SER 28 CO -0.05 0.19 0.16 0.22 -0.53 0.00 0.00 176.83 176.83 3hx7 h TYR 29 N 0.55 0.84 -0.09 2.24 3.20 -0.58 -0.76 116.97 122.37 3hx7 h TYR 29 Ca 0.41 -0.08 0.02 0.00 3.14 0.00 0.00 58.73 62.22 3hx7 h TYR 29 Cb 0.56 -0.24 -0.03 0.00 1.54 0.00 0.00 36.73 38.57 3hx7 h TYR 29 CO -0.12 0.72 -0.07 1.15 -1.64 0.00 0.00 178.16 178.20 3hx7 h THR 30 N 0.71 0.80 -0.91 1.81 2.02 0.07 -2.08 112.91 115.33 3hx7 h THR 30 Ca 0.17 0.00 0.01 0.00 0.77 0.00 0.00 66.41 67.35 3hx7 h THR 30 Cb 0.28 0.80 -0.04 0.00 -1.74 0.00 0.00 68.15 67.44 3hx7 h THR 30 CO -0.01 0.00 0.60 1.88 0.37 0.00 0.00 175.52 178.36 3hx7 h TYR 31 N -0.08 1.15 -0.55 3.16 0.05 -0.97 0.24 116.97 119.97 3hx7 h TYR 31 Ca 0.06 0.02 0.07 0.00 0.05 0.00 0.00 58.73 58.93 3hx7 h TYR 31 Cb 0.16 -0.39 -0.03 0.00 1.01 0.00 0.00 36.73 37.48 3hx7 h TYR 31 CO -0.18 0.73 0.37 1.25 -1.05 0.00 0.00 178.16 179.28 3hx7 h LEU 32 N 1.23 0.42 0.00 3.88 5.85 -0.58 0.59 115.31 126.71 3hx7 h LEU 32 Ca 0.33 0.00 -0.00 0.00 0.84 0.00 0.00 57.88 59.05 3hx7 h LEU 32 Cb -0.13 -0.09 0.00 0.00 0.37 0.00 0.00 40.66 40.81 3hx7 h LEU 32 CO -0.07 0.27 -0.00 -1.28 -0.34 0.00 0.00 178.44 177.02 3hx7 h SER 33 N 0.48 -0.00 -0.99 1.25 0.87 -0.54 -2.86 113.55 111.76 3hx7 h SER 33 Ca 0.24 -0.69 0.11 0.00 -1.23 0.00 0.00 61.79 60.22 3hx7 h SER 33 Cb 0.33 0.00 -0.08 0.00 -0.44 0.00 0.00 62.40 62.21 3hx7 h SER 33 CO -0.07 0.69 0.62 -0.07 -0.53 0.00 0.00 176.83 177.47 3hx7 h LEU 34 N -0.70 0.92 0.17 2.23 3.38 0.08 -1.23 115.31 120.16 3hx7 h LEU 34 Ca -0.00 0.04 -0.01 0.00 0.09 0.00 0.00 57.88 58.01 3hx7 h LEU 34 Cb 0.69 -0.15 -0.01 0.00 0.09 0.00 0.00 40.66 41.29 3hx7 h LEU 34 CO 0.00 0.51 -0.15 1.23 0.09 0.00 0.00 178.44 180.12 3hx7 h GLY 35 N 1.01 -0.81 2.00 0.83 0.00 0.19 -2.77 103.07 103.51 3hx7 h GLY 35 Ca 0.48 0.36 0.00 0.00 0.00 0.00 0.00 47.33 48.17 3hx7 h GLY 35 CO -0.25 -0.28 0.00 0.69 0.00 0.00 0.00 176.54 176.70 3hx7 n PHE 36 N -3.20 0.19 -0.09 5.60 3.01 -1.09 -2.12 117.46 119.76 3hx7 n PHE 36 Ca -0.04 0.08 -0.13 0.00 1.01 0.00 0.00 57.45 58.37 3hx7 n PHE 36 Cb 0.14 -0.63 -0.04 0.00 -0.01 0.00 0.00 39.48 38.94 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 0.82 0.00 1.38 3.20 -0.95 -2.78 116.97 118.64 3hx7 h TYR 37 Ca 0.00 -0.24 0.00 0.00 3.14 0.00 0.00 58.73 61.63 3hx7 h TYR 37 Cb 0.20 -0.17 0.00 0.00 1.54 0.00 0.00 36.73 38.30 3hx7 h TYR 37 CO 0.00 0.98 0.00 1.19 -1.64 0.00 0.00 178.16 178.69 3hx7 n PHE 38 N -4.28 0.00 0.98 -3.82 3.72 -0.90 -2.41 117.46 110.75 3hx7 n PHE 38 Ca -0.04 0.00 0.12 0.00 -0.05 0.00 0.00 57.45 57.48 3hx7 n PHE 38 Cb 0.46 -0.27 0.21 0.00 -0.94 0.00 0.00 39.48 38.95 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 -1.27 0.55 -4.74 4.37 4.64 -1.06 -1.37 116.55 117.67 3hx7 n ASP 39 Ca 0.13 -0.30 -0.42 0.00 -1.38 0.00 0.00 54.79 52.83 3hx7 n ASP 39 Cb 0.21 0.32 -0.02 0.00 -1.04 0.00 0.00 41.12 40.59 3hx7 n ASP 39 CO 0.00 0.00 0.00 -0.13 -0.82 0.00 0.00 177.20 176.25 3hx7 s ARG 40 N -3.01 4.12 0.56 -0.67 0.52 -1.01 -4.63 118.95 114.83 3hx7 s ARG 40 Ca 0.10 2.59 0.27 0.00 -0.52 0.00 0.00 55.73 58.17 3hx7 s ARG 40 Cb 0.17 -3.04 1.49 0.00 0.52 0.00 0.00 34.95 34.09 3hx7 s ARG 40 CO 0.72 -0.67 2.01 0.38 0.02 0.00 0.00 175.30 177.76 3hx7 h ASP 41 N 5.37 0.00 0.27 0.23 2.03 -1.90 0.72 116.42 123.14 3hx7 h ASP 41 Ca -0.46 0.00 0.00 0.00 -0.73 0.00 0.00 57.03 55.84 3hx7 h ASP 41 Cb 1.22 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 39.72 3hx7 h ASP 41 CO 0.84 0.00 -0.10 -0.90 -1.03 0.00 0.00 179.24 178.05 3hx7 n ASP 42 N -4.06 0.59 -0.02 4.15 3.85 -1.26 -4.13 116.55 115.67 3hx7 n ASP 42 Ca 0.07 -0.74 -0.06 0.00 -0.71 0.00 0.00 54.79 53.35 3hx7 n ASP 42 Cb 0.53 -0.04 -0.02 0.00 -1.35 0.00 0.00 41.12 40.24 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 1.03 -3.70 2.12 0.31 0.12 -5.09 118.33 112.31 3hx7 n VAL 43 Ca 0.16 0.15 -0.22 0.00 -0.01 0.00 0.00 64.34 64.42 3hx7 n VAL 43 Cb 0.28 -1.77 0.00 0.00 -0.91 0.00 0.00 33.84 31.44 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 -3.68 -2.76 -3.27 3.52 0.00 0.21 -4.97 120.51 109.56 3hx7 n ALA 44 Ca -0.10 -0.22 -0.25 0.00 0.00 0.00 0.00 53.44 52.87 3hx7 n ALA 44 Cb 0.35 -0.86 -0.07 0.00 0.00 0.00 0.00 19.45 18.87 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 -2.44 1.53 -0.43 0.00 4.77 -0.47 -4.95 117.00 115.01 3hx7 n LEU 45 Ca -0.28 -4.98 0.36 0.00 -0.03 0.00 0.00 56.01 51.09 3hx7 n LEU 45 Cb 0.67 0.16 0.68 0.00 -2.33 0.00 0.00 43.42 42.60 3hx7 n LEU 45 CO 0.62 2.07 1.30 -0.08 -1.33 0.00 0.00 177.39 179.98 3hx7 h GLU 46 N 4.03 0.11 0.54 3.23 4.81 -1.94 0.45 114.58 125.81 3hx7 h GLU 46 Ca 0.12 -0.01 -0.03 0.00 -0.13 0.00 0.00 59.36 59.31 3hx7 h GLU 46 Cb 0.80 -0.02 0.01 0.00 0.63 0.00 0.00 28.75 30.16 3hx7 h GLU 46 CO 0.60 0.07 -0.26 0.78 -0.73 0.00 0.00 179.01 179.47 3hx7 h GLY 47 N 0.11 -0.76 1.13 1.92 0.00 -1.94 -1.20 103.07 102.33 3hx7 h GLY 47 Ca 0.71 0.28 -0.02 0.00 0.00 0.00 0.00 47.33 48.30 3hx7 h GLY 47 CO -0.20 -0.28 0.40 -2.08 0.00 0.00 0.00 176.54 174.39 3hx7 h VAL 48 N -0.99 1.24 0.60 4.60 2.07 -1.16 -1.20 116.25 121.40 3hx7 h VAL 48 Ca -0.07 -0.66 -0.02 0.00 0.82 0.00 0.00 66.70 66.77 3hx7 h VAL 48 Cb 0.63 0.20 -0.01 0.00 -1.52 0.00 0.00 31.29 30.59 3hx7 h VAL 48 CO 0.12 0.29 -0.46 -1.28 0.02 0.00 0.00 177.57 176.26 3hx7 h SER 49 N 1.13 -1.21 -0.76 0.57 0.87 -0.20 -2.37 113.55 111.59 3hx7 h SER 49 Ca 0.28 0.08 0.12 0.00 -1.23 0.00 0.00 61.79 61.04 3hx7 h SER 49 Cb 0.08 0.38 -0.05 0.00 -0.44 0.00 0.00 62.40 62.37 3hx7 h SER 49 CO -0.04 -0.66 0.50 -0.74 -0.53 0.00 0.00 176.83 175.36 3hx7 h HIS 50 N -1.03 0.64 -0.51 2.24 6.17 -1.02 -1.16 115.15 120.47 3hx7 h HIS 50 Ca -0.07 0.02 0.03 0.00 0.71 0.00 0.00 60.37 61.06 3hx7 h HIS 50 Cb 0.86 -0.20 -0.04 0.00 2.52 0.00 0.00 27.41 30.55 3hx7 h HIS 50 CO -0.17 0.28 0.29 0.35 0.71 0.00 0.00 177.93 179.38 3hx7 h PHE 51 N 0.57 0.53 -0.15 5.26 3.57 -0.74 -1.54 116.94 124.45 3hx7 h PHE 51 Ca 0.36 0.02 -0.14 0.00 3.53 0.00 0.00 57.97 61.74 3hx7 h PHE 51 Cb 0.61 -0.17 0.00 0.00 2.79 0.00 0.00 35.95 39.19 3hx7 h PHE 51 CO -0.00 0.29 -0.46 0.74 -2.23 0.00 0.00 178.31 176.65 3hx7 h PHE 52 N 0.56 0.75 -0.48 0.41 -1.00 -0.76 -2.77 116.94 113.66 3hx7 h PHE 52 Ca 0.21 -0.30 0.09 0.00 2.81 0.00 0.00 57.97 60.78 3hx7 h PHE 52 Cb 0.07 -0.13 -0.03 0.00 3.61 0.00 0.00 35.95 39.47 3hx7 h PHE 52 CO -0.08 1.07 0.33 0.00 -1.61 0.00 0.00 178.31 178.02 3hx7 h ARG 53 N 0.22 0.24 -0.18 1.51 3.08 -1.12 0.19 114.38 118.32 3hx7 h ARG 53 Ca -0.02 -0.01 -0.06 0.00 0.07 0.00 0.00 59.98 59.96 3hx7 h ARG 53 Cb 1.08 -0.05 -0.00 0.00 0.08 0.00 0.00 29.97 31.07 3hx7 h ARG 53 CO 0.10 0.16 -0.13 0.93 -1.07 0.00 0.00 179.97 179.96 3hx7 h GLU 54 N 0.25 0.42 -0.00 0.04 5.08 -1.21 -2.53 114.58 116.63 3hx7 h GLU 54 Ca 0.22 -0.20 -0.03 0.00 -1.00 0.00 0.00 59.36 58.35 3hx7 h GLU 54 Cb 0.54 -0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.79 3hx7 h GLU 54 CO -0.04 0.75 -0.12 -0.07 -1.00 0.00 0.00 179.01 178.52 3hx7 h LEU 55 N 0.09 0.00 -0.79 1.33 3.38 -0.73 -1.35 115.31 117.24 3hx7 h LEU 55 Ca 0.04 -0.00 -0.12 0.00 0.09 0.00 0.00 57.88 57.89 3hx7 h LEU 55 Cb 0.65 -0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.39 3hx7 h LEU 55 CO 0.04 0.12 -0.36 0.00 0.09 0.00 0.00 178.44 178.33 3hx7 h ALA 56 N 1.88 0.96 0.00 1.53 0.00 -0.50 -2.32 119.26 120.81 3hx7 h ALA 56 Ca -0.00 -0.41 -0.14 0.00 0.00 0.00 0.00 54.91 54.37 3hx7 h ALA 56 Cb 0.22 -0.11 -0.02 0.00 0.00 0.00 0.00 17.79 17.88 3hx7 h ALA 56 CO 0.02 0.61 -0.66 1.49 0.00 0.00 0.00 179.25 180.71 3hx7 h GLU 57 N 0.42 0.00 -0.27 0.00 4.57 -0.89 -2.87 114.58 115.54 3hx7 h GLU 57 Ca 0.05 0.00 -0.10 0.00 -1.18 0.00 0.00 59.36 58.12 3hx7 h GLU 57 Cb 0.82 0.00 -0.01 0.00 -0.16 0.00 0.00 28.75 29.40 3hx7 h GLU 57 CO 0.07 0.66 -0.23 0.93 -1.18 0.00 0.00 179.01 179.26 3hx7 h GLU 58 N 0.00 0.64 -0.65 1.92 5.08 -0.93 -1.35 114.58 119.29 3hx7 h GLU 58 Ca -0.01 -0.32 -0.08 0.00 -1.00 0.00 0.00 59.36 57.96 3hx7 h GLU 58 Cb 1.41 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 30.64 3hx7 h GLU 58 CO 0.09 0.92 0.09 0.87 -1.00 0.00 0.00 179.01 179.97 3hx7 h LYS 59 N 0.37 1.07 -0.76 2.33 1.79 -1.49 0.53 116.57 120.41 3hx7 h LYS 59 Ca 0.05 -0.29 0.02 0.00 -2.18 0.00 0.00 60.65 58.25 3hx7 h LYS 59 Cb 0.78 -0.13 -0.04 0.00 -1.58 0.00 0.00 32.23 31.26 3hx7 h LYS 59 CO 0.06 0.99 0.49 -0.09 -1.08 0.00 0.00 179.45 179.81 3hx7 h ARG 60 N 1.00 0.95 0.00 3.15 2.43 -1.39 0.24 114.38 120.76 3hx7 h ARG 60 Ca 0.20 -0.06 -0.04 0.00 -0.81 0.00 0.00 59.98 59.27 3hx7 h ARG 60 Cb 0.44 -0.21 -0.01 0.00 -0.42 0.00 0.00 29.97 29.77 3hx7 h ARG 60 CO 0.01 0.63 -0.20 0.93 -1.51 0.00 0.00 179.97 179.84 3hx7 h GLU 61 N 0.98 0.00 -0.02 0.20 5.08 -0.63 -1.68 114.58 118.51 3hx7 h GLU 61 Ca 0.29 0.00 -0.09 0.00 -1.00 0.00 0.00 59.36 58.56 3hx7 h GLU 61 Cb -0.05 0.00 0.01 0.00 0.50 0.00 0.00 28.75 29.21 3hx7 h GLU 61 CO -0.09 0.20 -0.35 0.78 -1.00 0.00 0.00 179.01 178.55 3hx7 h GLY 62 N 1.60 0.31 2.00 -3.84 0.00 0.15 -2.44 103.07 100.85 3hx7 h GLY 62 Ca -0.00 -0.49 -0.06 0.00 0.00 0.00 0.00 47.33 46.77 3hx7 h GLY 62 CO 0.03 0.44 -0.28 0.10 0.00 0.00 0.00 176.54 176.82 3hx7 h TYR 63 N -0.30 0.00 0.00 5.60 -0.00 -0.50 -2.08 116.97 119.69 3hx7 h TYR 63 Ca -0.04 0.00 -0.12 0.00 0.00 0.00 0.00 58.73 58.57 3hx7 h TYR 63 Cb 1.06 0.00 -0.02 0.00 0.00 0.00 0.00 36.73 37.77 3hx7 h TYR 63 CO 0.16 0.28 -0.58 0.93 -0.00 0.00 0.00 178.16 178.95 3hx7 h GLU 64 N 0.00 0.00 -0.07 0.10 5.08 -1.36 -0.91 114.58 117.41 3hx7 h GLU 64 Ca -0.00 0.00 -0.24 0.00 -1.00 0.00 0.00 59.36 58.11 3hx7 h GLU 64 Cb 0.92 0.00 0.01 0.00 0.50 0.00 0.00 28.75 30.19 3hx7 h GLU 64 CO 0.04 0.58 -0.91 -0.09 -1.00 0.00 0.00 179.01 177.63 3hx7 h ARG 65 N 0.00 0.72 -0.10 2.33 2.43 -1.13 -2.08 114.38 116.56 3hx7 h ARG 65 Ca -0.01 -0.68 -0.01 0.00 -0.81 0.00 0.00 59.98 58.48 3hx7 h ARG 65 Cb 1.35 0.17 -0.00 0.00 -0.42 0.00 0.00 29.97 31.07 3hx7 h ARG 65 CO 0.08 1.28 0.04 -0.07 -1.51 0.00 0.00 179.97 179.78 3hx7 h LEU 66 N 0.45 0.14 -1.85 3.80 3.38 -1.27 -0.81 115.31 119.16 3hx7 h LEU 66 Ca -0.09 -0.17 -0.02 0.00 0.09 0.00 0.00 57.88 57.69 3hx7 h LEU 66 Cb 1.55 -0.04 -0.00 0.00 0.09 0.00 0.00 40.66 42.26 3hx7 h LEU 66 CO 0.18 0.27 -0.11 -0.07 0.09 0.00 0.00 178.44 178.80 3hx7 h LEU 67 N 0.00 0.00 -0.14 1.67 3.38 -1.19 0.11 115.31 119.14 3hx7 h LEU 67 Ca 0.03 0.00 -0.17 0.00 0.09 0.00 0.00 57.88 57.83 3hx7 h LEU 67 Cb 0.17 0.00 0.01 0.00 0.09 0.00 0.00 40.66 40.93 3hx7 h LEU 67 CO -0.00 0.11 -0.59 0.50 0.09 0.00 0.00 178.44 178.55 3hx7 h LYS 68 N 0.00 0.65 -0.72 1.13 1.63 -1.02 -3.01 116.57 115.23 3hx7 h LYS 68 Ca -0.00 -0.51 -0.02 0.00 -0.85 0.00 0.00 60.65 59.28 3hx7 h LYS 68 Cb 0.21 0.10 -0.03 0.00 -0.60 0.00 0.00 32.23 31.91 3hx7 h LYS 68 CO 0.01 1.13 0.39 1.98 -3.45 0.00 0.00 179.45 179.51 3hx7 h MET 69 N 0.31 1.01 0.34 1.90 4.05 -0.14 -2.36 114.93 120.05 3hx7 h MET 69 Ca -0.03 -0.12 -0.00 0.00 -0.28 0.00 0.00 59.70 59.26 3hx7 h MET 69 Cb 1.22 -0.19 -0.03 0.00 -0.80 0.00 0.00 31.60 31.79 3hx7 h MET 69 CO 0.12 0.76 -0.49 0.37 0.23 0.00 0.00 176.91 177.90 3hx7 h GLN 70 N 0.99 -0.85 -0.04 0.39 5.75 -1.01 -0.81 115.11 119.54 3hx7 h GLN 70 Ca 0.25 0.06 0.01 0.00 -0.15 0.00 0.00 58.65 58.82 3hx7 h GLN 70 Cb 0.05 0.19 -0.00 0.00 1.07 0.00 0.00 27.48 28.79 3hx7 h GLN 70 CO -0.04 -0.56 0.05 -0.91 -2.65 0.00 0.00 178.83 174.72 3hx7 h ASN 71 N -0.88 0.00 0.13 -0.69 4.21 -1.40 -0.64 115.58 116.31 3hx7 h ASN 71 Ca -0.03 0.00 -0.21 0.00 1.21 0.00 0.00 56.30 57.27 3hx7 h ASN 71 Cb 0.81 0.00 0.00 0.00 -1.12 0.00 0.00 38.32 38.01 3hx7 h ASN 71 CO -0.15 0.00 -0.81 1.56 -1.29 0.00 0.00 177.43 176.75 3hx7 h GLN 72 N 0.00 0.55 -0.00 0.81 4.20 -0.77 -3.10 115.11 116.79 3hx7 h GLN 72 Ca 0.02 -0.48 0.00 0.00 0.06 0.00 0.00 58.65 58.25 3hx7 h GLN 72 Cb 0.12 0.11 0.00 0.00 0.30 0.00 0.00 27.48 28.01 3hx7 h GLN 72 CO -0.00 1.11 -0.13 0.54 -0.67 0.00 0.00 178.83 179.68 3hx7 n ARG 73 N -3.85 0.06 0.00 1.46 5.12 -0.33 -4.91 116.66 114.20 3hx7 n ARG 73 Ca -0.06 -0.01 0.00 0.00 -1.93 0.00 0.00 57.85 55.84 3hx7 n ARG 73 Cb 0.76 -1.50 0.00 0.00 -1.16 0.00 0.00 32.46 30.56 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 1.48 1.15 3.43 -0.13 0.00 -0.71 -4.14 105.19 106.28 3hx7 n GLY 74 Ca 0.07 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.81 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 -2.33 1.51 -0.04 -0.02 0.00 -0.77 -4.53 107.32 101.14 3hx7 s GLY 75 Ca 0.00 -0.29 0.05 0.00 0.00 0.00 0.00 44.72 44.49 3hx7 s GLY 75 CO 0.00 0.52 -0.21 0.50 0.00 0.00 0.00 173.10 173.91 3hx7 s ARG 76 N -4.54 2.04 -0.03 2.90 1.81 -1.26 -4.21 118.95 115.65 3hx7 s ARG 76 Ca 0.69 -0.74 -0.30 0.00 -1.72 0.00 0.00 55.73 53.66 3hx7 s ARG 76 Cb -0.23 -1.79 -0.04 0.00 -0.45 0.00 0.00 34.95 32.44 3hx7 s ARG 76 CO 0.64 0.33 1.27 0.00 -0.68 0.00 0.00 175.30 176.86 3hx7 s ALA 77 N -0.13 3.52 -0.22 2.13 0.00 -1.26 -4.95 121.76 120.85 3hx7 s ALA 77 Ca -0.01 0.71 0.00 0.00 0.00 0.00 0.00 51.96 52.66 3hx7 s ALA 77 Cb -0.12 -3.54 0.06 0.00 0.00 0.00 0.00 23.12 19.52 3hx7 s ALA 77 CO 0.02 -0.81 -0.04 -0.51 0.00 0.00 0.00 175.76 174.42 3hx7 s LEU 78 N 2.26 2.29 -0.12 0.00 1.43 -1.26 -5.13 118.68 118.15 3hx7 s LEU 78 Ca 0.59 -1.07 -0.14 0.00 -1.03 0.00 0.00 54.13 52.48 3hx7 s LEU 78 Cb -0.27 -1.08 -0.05 0.00 0.03 0.00 0.00 46.19 44.82 3hx7 s LEU 78 CO 0.24 -0.24 0.32 -0.36 0.23 0.00 0.00 176.35 176.54 3hx7 s PHE 79 N 1.48 3.54 0.50 0.29 0.08 -1.26 -4.89 117.98 117.72 3hx7 s PHE 79 Ca -0.04 0.70 0.07 0.00 0.12 0.00 0.00 56.93 57.77 3hx7 s PHE 79 Cb -0.18 -2.31 0.02 0.00 -0.57 0.00 0.00 43.02 39.98 3hx7 s PHE 79 CO -0.07 0.37 0.43 -0.65 -0.10 0.00 0.00 175.22 175.21 3hx7 s GLN 80 N 0.00 2.34 0.44 0.44 -1.52 -1.26 -5.09 119.66 115.01 3hx7 s GLN 80 Ca 0.19 -1.82 -0.24 0.00 -1.95 0.00 0.00 55.36 51.53 3hx7 s GLN 80 Cb -0.14 -2.24 -0.08 0.00 -0.22 0.00 0.00 33.01 30.33 3hx7 s GLN 80 CO 0.06 -0.50 1.24 -0.51 -0.25 0.00 0.00 175.29 175.33 3hx7 s ASP 81 N -4.27 6.19 -0.36 5.90 -0.00 -1.26 -4.98 116.67 117.90 3hx7 s ASP 81 Ca 0.42 2.49 -0.16 0.00 -0.00 0.00 0.00 52.55 55.30 3hx7 s ASP 81 Cb -0.03 -2.62 -0.00 0.00 -0.00 0.00 0.00 42.92 40.27 3hx7 s ASP 81 CO 0.25 -0.92 0.38 -0.63 -0.00 0.00 0.00 175.17 174.26 3hx7 s ILE 82 N -1.39 5.15 0.17 0.77 1.01 -1.26 -5.04 121.20 120.61 3hx7 s ILE 82 Ca 0.61 -0.03 -0.32 0.00 0.00 0.00 0.00 60.65 60.91 3hx7 s ILE 82 Cb -0.34 -3.88 -0.10 0.00 0.01 0.00 0.00 42.46 38.15 3hx7 s ILE 82 CO 0.42 -0.17 1.57 -0.75 0.00 0.00 0.00 174.94 176.01 3hx7 s LYS 83 N 2.05 4.21 0.74 2.79 2.20 -1.26 -4.98 119.74 125.49 3hx7 s LYS 83 Ca 0.12 2.37 -0.15 0.00 -0.36 0.00 0.00 55.97 57.95 3hx7 s LYS 83 Cb -0.17 -3.15 0.04 0.00 -1.51 0.00 0.00 37.83 33.05 3hx7 s LYS 83 CO 0.12 -0.61 1.21 -1.59 -0.36 0.00 0.00 175.35 174.11 3hx7 s LYS 84 N 1.12 2.11 0.31 4.03 -2.85 -1.26 -4.90 119.74 118.31 3hx7 s LYS 84 Ca 0.70 1.75 -0.29 0.00 -1.00 0.00 0.00 55.97 57.13 3hx7 s LYS 84 Cb -0.44 -1.83 -0.12 0.00 -2.06 0.00 0.00 37.83 33.38 3hx7 s LYS 84 CO 0.31 -1.86 1.41 -2.30 0.10 0.00 0.00 175.35 173.01 3hx7 n PRO 85 N -2.76 2.29 0.23 1.78 -0.02 -1.26 -4.86 135.00 130.40 3hx7 n PRO 85 Ca 0.13 0.81 0.07 0.00 -2.02 0.00 0.00 63.50 62.50 3hx7 n PRO 85 Cb 0.50 -2.47 0.40 0.00 -0.02 0.00 0.00 33.50 31.91 3hx7 n PRO 85 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3hx7 h ALA 86 N 3.46 1.35 -2.75 3.55 0.00 -1.98 -3.42 119.26 119.47 3hx7 h ALA 86 Ca -0.47 0.00 -0.30 0.00 0.00 0.00 0.00 54.91 54.14 3hx7 h ALA 86 Cb 1.26 0.00 -0.13 0.00 0.00 0.00 0.00 17.79 18.92 3hx7 h ALA 86 CO 0.69 -0.35 -0.48 -1.21 0.00 0.00 0.00 179.25 177.90 3hx7 s GLU 87 N -3.55 1.50 0.00 0.00 0.41 -1.26 -5.04 118.70 110.76 3hx7 s GLU 87 Ca -0.02 -1.74 0.00 0.00 -0.41 0.00 0.00 54.97 52.81 3hx7 s GLU 87 Cb 0.04 0.33 0.00 0.00 -1.78 0.00 0.00 34.13 32.72 3hx7 s GLU 87 CO 0.13 -0.55 0.00 -0.25 -0.49 0.00 0.00 175.26 174.11 3hx7 n ASP 88 N -0.83 3.97 -3.80 -0.19 8.00 -1.26 -4.98 116.55 117.46 3hx7 n ASP 88 Ca 0.03 -0.02 -0.17 0.00 0.71 0.00 0.00 54.79 55.34 3hx7 n ASP 88 Cb 0.64 0.84 -0.16 0.00 -0.02 0.00 0.00 41.12 42.42 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 -1.63 0.21 -0.02 -1.24 2.02 -1.26 -5.02 118.70 111.75 3hx7 s GLU 89 Ca 0.00 0.12 0.22 0.00 0.02 0.00 0.00 54.97 55.33 3hx7 s GLU 89 Cb 0.00 -0.45 0.67 0.00 0.10 0.00 0.00 34.13 34.46 3hx7 s GLU 89 CO 0.00 -0.16 1.57 0.91 0.02 0.00 0.00 175.26 177.60 3hx7 n TRP 90 N 4.26 1.10 -2.45 1.61 7.02 -1.26 -5.07 117.44 122.65 3hx7 n TRP 90 Ca -0.25 -0.52 0.00 0.00 -1.02 0.00 0.00 57.50 55.71 3hx7 n TRP 90 Cb 0.50 -0.05 0.00 0.00 -2.42 0.00 0.00 31.31 29.34 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 1.58 1.87 3.96 6.99 0.00 -1.26 -3.83 105.19 114.51 3hx7 n GLY 91 Ca 0.25 -0.52 -0.22 0.00 0.00 0.00 0.00 46.02 45.53 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 2.81 0.20 1.61 1.02 -1.26 -4.93 119.74 119.19 3hx7 s LYS 92 Ca 0.00 -0.63 -0.13 0.00 0.02 0.00 0.00 55.97 55.23 3hx7 s LYS 92 Cb 0.00 -2.52 0.23 0.00 -0.52 0.00 0.00 37.83 35.01 3hx7 s LYS 92 CO 0.00 -0.48 1.67 1.15 -0.92 0.00 0.00 175.35 176.77 3hx7 h THR 93 N 0.24 0.55 -0.23 2.17 2.02 -2.00 -1.52 112.91 114.15 3hx7 h THR 93 Ca -0.44 -0.04 0.01 0.00 0.77 0.00 0.00 66.41 66.71 3hx7 h THR 93 Cb 1.27 0.44 -0.01 0.00 -1.74 0.00 0.00 68.15 68.11 3hx7 h THR 93 CO 0.55 0.02 0.15 -0.65 0.37 0.00 0.00 175.52 175.96 3hx7 h PRO 94 N 0.10 0.28 -0.15 6.66 0.11 -1.95 -1.05 132.00 136.00 3hx7 h PRO 94 Ca 0.28 -0.02 -0.06 0.00 0.11 0.00 0.00 66.00 66.31 3hx7 h PRO 94 Cb 0.43 -0.06 -0.00 0.00 0.11 0.00 0.00 31.00 31.48 3hx7 h PRO 94 CO -0.47 0.18 -0.14 -0.44 -0.21 0.00 0.00 178.00 176.92 3hx7 h ASP 95 N 0.28 0.38 -0.43 -2.05 3.45 -1.59 -1.89 116.42 114.57 3hx7 h ASP 95 Ca 0.08 -0.48 -0.04 0.00 0.43 0.00 0.00 57.03 57.03 3hx7 h ASP 95 Cb -0.00 -0.11 -0.02 0.00 -0.56 0.00 0.00 39.33 38.64 3hx7 h ASP 95 CO -0.02 0.77 0.16 0.00 -1.57 0.00 0.00 179.24 178.58 3hx7 h ALA 96 N 0.61 1.35 -0.44 3.45 0.00 -0.94 -1.01 119.26 122.28 3hx7 h ALA 96 Ca 0.02 -0.16 -0.05 0.00 0.00 0.00 0.00 54.91 54.72 3hx7 h ALA 96 Cb 0.67 -0.20 -0.02 0.00 0.00 0.00 0.00 17.79 18.24 3hx7 h ALA 96 CO 0.04 0.47 0.08 1.98 0.00 0.00 0.00 179.25 181.81 3hx7 h MET 97 N 0.71 0.73 -0.51 0.00 -1.53 -1.09 -1.06 114.93 112.18 3hx7 h MET 97 Ca 0.17 -0.19 -0.02 0.00 -3.44 0.00 0.00 59.70 56.21 3hx7 h MET 97 Cb 0.21 -0.09 -0.03 0.00 -0.55 0.00 0.00 31.60 31.15 3hx7 h MET 97 CO -0.01 0.76 0.22 0.87 0.14 0.00 0.00 176.91 178.89 3hx7 h LYS 98 N 0.60 0.73 0.31 0.39 1.57 -0.69 0.27 116.57 119.75 3hx7 h LYS 98 Ca 0.14 -0.10 -0.02 0.00 -1.87 0.00 0.00 60.65 58.80 3hx7 h LYS 98 Cb 0.38 -0.14 0.00 0.00 0.08 0.00 0.00 32.23 32.55 3hx7 h LYS 98 CO 0.01 0.59 -0.15 0.00 -0.57 0.00 0.00 179.45 179.33 3hx7 h ALA 99 N 1.52 -0.41 -0.78 3.86 0.00 -0.86 -1.65 119.26 120.93 3hx7 h ALA 99 Ca 0.18 -0.17 0.03 0.00 0.00 0.00 0.00 54.91 54.95 3hx7 h ALA 99 Cb 0.12 0.16 -0.05 0.00 0.00 0.00 0.00 17.79 18.02 3hx7 h ALA 99 CO -0.02 -0.61 0.50 0.00 0.00 0.00 0.00 179.25 179.12 3hx7 h ALA 100 N -0.07 1.02 0.10 0.00 0.00 -0.87 0.68 119.26 120.11 3hx7 h ALA 100 Ca -0.04 -0.03 0.02 0.00 0.00 0.00 0.00 54.91 54.86 3hx7 h ALA 100 Cb 0.47 -0.27 -0.05 0.00 0.00 0.00 0.00 17.79 17.94 3hx7 h ALA 100 CO 0.07 0.32 -0.38 1.98 0.00 0.00 0.00 179.25 181.24 3hx7 h MET 101 N 0.98 -0.58 -0.76 0.00 -1.53 -0.39 0.12 114.93 112.77 3hx7 h MET 101 Ca 0.31 0.04 -0.01 0.00 -3.44 0.00 0.00 59.70 56.60 3hx7 h MET 101 Cb -0.01 0.13 -0.04 0.00 -0.55 0.00 0.00 31.60 31.13 3hx7 h MET 101 CO -0.10 -0.38 0.45 0.00 0.14 0.00 0.00 176.91 177.01 3hx7 h ALA 102 N -0.03 1.36 -0.49 0.39 0.00 -0.90 -1.36 119.26 118.22 3hx7 h ALA 102 Ca 0.03 -0.09 -0.05 0.00 0.00 0.00 0.00 54.91 54.80 3hx7 h ALA 102 Cb 0.64 -0.31 -0.02 0.00 0.00 0.00 0.00 17.79 18.09 3hx7 h ALA 102 CO -0.24 0.55 0.12 1.25 0.00 0.00 0.00 179.25 180.93 3hx7 h LEU 103 N 1.05 0.69 -0.09 0.00 5.85 -0.12 -1.52 115.31 121.17 3hx7 h LEU 103 Ca 0.27 -0.11 -0.23 0.00 0.84 0.00 0.00 57.88 58.65 3hx7 h LEU 103 Cb -0.03 -0.18 0.01 0.00 0.37 0.00 0.00 40.66 40.84 3hx7 h LEU 103 CO -0.05 0.68 -0.85 -0.33 -0.34 0.00 0.00 178.44 177.55 3hx7 h GLU 104 N 0.72 0.74 -0.30 1.25 4.39 -0.04 -2.54 114.58 118.80 3hx7 h GLU 104 Ca 0.16 -0.68 -0.02 0.00 0.34 0.00 0.00 59.36 59.17 3hx7 h GLU 104 Cb 0.27 0.16 -0.02 0.00 -0.10 0.00 0.00 28.75 29.07 3hx7 h GLU 104 CO -0.00 1.27 0.12 0.87 -1.16 0.00 0.00 179.01 180.11 3hx7 h LYS 105 N 0.45 0.42 -0.03 2.33 1.57 -1.05 0.15 116.57 120.42 3hx7 h LYS 105 Ca -0.08 -0.05 -0.01 0.00 -1.87 0.00 0.00 60.65 58.65 3hx7 h LYS 105 Cb 1.49 -0.08 -0.00 0.00 0.08 0.00 0.00 32.23 33.72 3hx7 h LYS 105 CO 0.17 0.35 -0.00 -0.22 -0.57 0.00 0.00 179.45 179.18 3hx7 h LYS 106 N 0.42 0.06 -0.32 3.15 3.64 -1.20 -1.76 116.57 120.55 3hx7 h LYS 106 Ca 0.11 -0.02 -0.05 0.00 -1.27 0.00 0.00 60.65 59.41 3hx7 h LYS 106 Cb 0.09 -0.00 -0.02 0.00 -0.41 0.00 0.00 32.23 31.89 3hx7 h LYS 106 CO -0.01 0.39 -0.03 -0.07 -2.27 0.00 0.00 179.45 177.46 3hx7 h LEU 107 N -0.28 0.48 -0.52 5.20 3.38 -1.02 -1.59 115.31 120.96 3hx7 h LEU 107 Ca 0.01 -0.10 -0.05 0.00 0.09 0.00 0.00 57.88 57.83 3hx7 h LEU 107 Cb 0.37 -0.13 -0.02 0.00 0.09 0.00 0.00 40.66 40.97 3hx7 h LEU 107 CO 0.00 0.57 0.11 -1.13 0.09 0.00 0.00 178.44 178.09 3hx7 h ASN 108 N 0.48 0.79 -0.35 -0.43 -1.24 -0.59 -1.72 115.58 112.54 3hx7 h ASN 108 Ca 0.10 -0.24 -0.04 0.00 0.71 0.00 0.00 56.30 56.83 3hx7 h ASN 108 Cb 0.36 -0.21 -0.01 0.00 0.73 0.00 0.00 38.32 39.19 3hx7 h ASN 108 CO 0.01 0.83 0.06 -0.61 -1.29 0.00 0.00 177.43 176.44 3hx7 h GLN 109 N 0.72 0.57 -0.80 6.67 5.75 -0.94 0.06 115.11 127.14 3hx7 h GLN 109 Ca 0.16 -0.15 0.12 0.00 -0.15 0.00 0.00 58.65 58.63 3hx7 h GLN 109 Cb 0.35 -0.07 -0.06 0.00 1.07 0.00 0.00 27.48 28.78 3hx7 h GLN 109 CO 0.00 0.64 0.52 0.00 -2.65 0.00 0.00 178.83 177.35 3hx7 h ALA 110 N 0.91 1.86 -0.07 3.38 0.00 -1.13 0.17 119.26 124.38 3hx7 h ALA 110 Ca 0.11 -0.00 -0.06 0.00 0.00 0.00 0.00 54.91 54.96 3hx7 h ALA 110 Cb 0.34 -0.13 0.00 0.00 0.00 0.00 0.00 17.79 18.00 3hx7 h ALA 110 CO 0.01 -0.05 -0.18 -0.07 0.00 0.00 0.00 179.25 178.96 3hx7 h LEU 111 N 0.64 0.27 -1.17 0.00 3.38 -0.62 -1.17 115.31 116.65 3hx7 h LEU 111 Ca 0.38 -0.60 0.00 0.00 0.09 0.00 0.00 57.88 57.76 3hx7 h LEU 111 Cb 0.59 -0.08 -0.04 0.00 0.09 0.00 0.00 40.66 41.23 3hx7 h LEU 111 CO -0.15 0.82 0.49 -0.07 0.09 0.00 0.00 178.44 179.62 3hx7 h LEU 112 N -0.26 0.93 0.39 1.67 3.38 -0.18 0.85 115.31 122.08 3hx7 h LEU 112 Ca -0.00 -0.04 -0.02 0.00 0.09 0.00 0.00 57.88 57.91 3hx7 h LEU 112 Cb 0.79 -0.23 0.00 0.00 0.09 0.00 0.00 40.66 41.31 3hx7 h LEU 112 CO 0.04 0.70 -0.19 0.44 0.09 0.00 0.00 178.44 179.51 3hx7 h ASP 113 N 1.08 -0.45 -0.35 -0.43 3.45 -0.67 -0.80 116.42 118.24 3hx7 h ASP 113 Ca 0.29 -0.08 0.10 0.00 0.43 0.00 0.00 57.03 57.76 3hx7 h ASP 113 Cb -0.08 0.12 -0.01 0.00 -0.56 0.00 0.00 39.33 38.80 3hx7 h ASP 113 CO -0.06 -0.18 0.27 0.25 -1.57 0.00 0.00 179.24 177.95 3hx7 h LEU 114 N -0.72 0.00 -0.22 1.55 5.85 -0.82 0.04 115.31 120.98 3hx7 h LEU 114 Ca -0.05 0.00 -0.17 0.00 0.84 0.00 0.00 57.88 58.49 3hx7 h LEU 114 Cb 0.51 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.54 3hx7 h LEU 114 CO 0.09 0.00 -0.54 -0.74 -0.34 0.00 0.00 178.44 176.91 3hx7 h HIS 115 N 0.00 0.97 -0.63 1.25 2.76 -0.33 -2.29 115.15 116.88 3hx7 h HIS 115 Ca 0.17 -0.37 -0.07 0.00 -2.20 0.00 0.00 60.37 57.89 3hx7 h HIS 115 Cb 0.70 -0.17 -0.03 0.00 1.55 0.00 0.00 27.41 29.46 3hx7 h HIS 115 CO 0.00 1.17 0.10 0.00 -1.30 0.00 0.00 177.93 177.90 3hx7 h ALA 116 N 0.62 0.98 -0.59 5.26 0.00 0.39 -1.51 119.26 124.40 3hx7 h ALA 116 Ca -0.00 -0.26 -0.00 0.00 0.00 0.00 0.00 54.91 54.64 3hx7 h ALA 116 Cb 1.15 -0.24 -0.03 0.00 0.00 0.00 0.00 17.79 18.67 3hx7 h ALA 116 CO 0.12 0.64 0.35 1.25 0.00 0.00 0.00 179.25 181.61 3hx7 h LEU 117 N 0.97 0.71 -1.43 0.00 5.85 -1.04 -1.09 115.31 119.29 3hx7 h LEU 117 Ca 0.19 -0.07 -0.06 0.00 0.84 0.00 0.00 57.88 58.79 3hx7 h LEU 117 Cb 0.42 -0.18 -0.01 0.00 0.37 0.00 0.00 40.66 41.26 3hx7 h LEU 117 CO 0.01 0.57 -0.29 1.23 -0.34 0.00 0.00 178.44 179.62 3hx7 h GLY 118 N 0.79 0.00 0.82 3.75 0.00 -1.04 -1.51 103.07 105.89 3hx7 h GLY 118 Ca 0.21 0.00 -0.09 0.00 0.00 0.00 0.00 47.33 47.45 3hx7 h GLY 118 CO -0.04 0.00 -0.23 1.76 0.00 0.00 0.00 176.54 178.03 3hx7 h SER 119 N 0.00 0.52 -0.83 0.19 0.02 -0.55 0.28 113.55 113.19 3hx7 h SER 119 Ca -0.00 -0.50 -0.04 0.00 -0.84 0.00 0.00 61.79 60.41 3hx7 h SER 119 Cb 0.54 -0.15 -0.04 0.00 0.14 0.00 0.00 62.40 62.89 3hx7 h SER 119 CO 0.04 0.92 0.37 0.00 -1.14 0.00 0.00 176.83 177.02 3hx7 h ALA 120 N 0.62 1.07 -0.26 3.77 0.00 -0.85 -1.72 119.26 121.89 3hx7 h ALA 120 Ca 0.02 -0.18 0.00 0.00 0.00 0.00 0.00 54.91 54.76 3hx7 h ALA 120 Cb 0.79 -0.33 0.00 0.00 0.00 0.00 0.00 17.79 18.26 3hx7 h ALA 120 CO 0.06 0.66 0.00 0.54 0.00 0.00 0.00 179.25 180.51 3hx7 n ARG 121 N -4.30 1.78 -3.89 0.00 5.12 -0.60 -4.92 116.66 109.84 3hx7 n ARG 121 Ca 0.08 -1.01 -0.38 0.00 -1.93 0.00 0.00 57.85 54.61 3hx7 n ARG 121 Cb 0.16 -1.32 0.02 0.00 -1.16 0.00 0.00 32.46 30.16 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 0.28 -4.16 -3.82 0.55 -2.24 -0.65 -4.94 114.28 99.30 3hx7 n THR 122 Ca 0.09 -0.76 -0.32 0.00 -2.27 0.00 0.00 64.05 60.79 3hx7 n THR 122 Cb 0.30 -3.23 -0.11 0.00 -2.10 0.00 0.00 70.33 65.19 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 -3.59 5.09 0.45 3.42 -1.08 0.97 -4.95 116.67 116.97 3hx7 s ASP 123 Ca 0.44 -3.53 0.12 0.00 -0.52 0.00 0.00 52.55 49.05 3hx7 s ASP 123 Cb -0.20 -1.74 1.00 0.00 -1.46 0.00 0.00 42.92 40.52 3hx7 s ASP 123 CO 0.92 -0.18 2.04 1.55 0.52 0.00 0.00 175.17 180.02 3hx7 h PRO 124 N 5.98 0.20 0.25 4.34 0.13 -1.92 -2.81 132.00 138.16 3hx7 h PRO 124 Ca 0.08 -0.02 -0.01 0.00 -0.87 0.00 0.00 66.00 65.18 3hx7 h PRO 124 Cb 0.82 -0.04 0.00 0.00 0.13 0.00 0.00 31.00 31.92 3hx7 h PRO 124 CO 0.75 0.22 -0.12 1.25 -0.23 0.00 0.00 178.00 179.86 3hx7 h HIS 125 N 0.20 -0.31 -0.48 1.56 -0.00 -1.96 -0.59 115.15 113.56 3hx7 h HIS 125 Ca 0.05 -0.01 0.04 0.00 -0.00 0.00 0.00 60.37 60.45 3hx7 h HIS 125 Cb 0.14 0.10 -0.04 0.00 -0.00 0.00 0.00 27.41 27.61 3hx7 h HIS 125 CO 0.00 -0.18 0.25 1.25 -0.00 0.00 0.00 177.93 179.25 3hx7 h LEU 126 N -0.35 0.37 -0.46 0.26 5.85 -1.93 -0.56 115.31 118.48 3hx7 h LEU 126 Ca -0.03 0.02 0.06 0.00 0.84 0.00 0.00 57.88 58.77 3hx7 h LEU 126 Cb 0.27 -0.05 -0.05 0.00 0.37 0.00 0.00 40.66 41.20 3hx7 h LEU 126 CO 0.06 0.26 0.16 0.00 -0.34 0.00 0.00 178.44 178.57 3hx7 h ASP 128 N 0.32 0.86 -0.89 0.00 3.58 -0.75 -1.16 116.42 118.39 3hx7 h ASP 128 Ca 0.22 -0.26 0.10 0.00 0.42 0.00 0.00 57.03 57.52 3hx7 h ASP 128 Cb 0.23 -0.23 -0.08 0.00 1.72 0.00 0.00 39.33 40.97 3hx7 h ASP 128 CO -0.23 0.90 0.53 0.15 -2.88 0.00 0.00 179.24 177.70 3hx7 h PHE 129 N 0.79 0.96 -0.01 0.28 3.04 -0.55 0.98 116.94 122.43 3hx7 h PHE 129 Ca 0.17 0.03 -0.22 0.00 3.98 0.00 0.00 57.97 61.93 3hx7 h PHE 129 Cb 0.40 -0.30 0.02 0.00 2.56 0.00 0.00 35.95 38.63 3hx7 h PHE 129 CO 0.03 0.39 -0.85 -0.07 -2.02 0.00 0.00 178.31 175.79 3hx7 h LEU 130 N 0.87 0.76 -0.67 0.59 3.38 -1.05 -2.40 115.31 116.78 3hx7 h LEU 130 Ca 0.43 -0.74 0.02 0.00 0.09 0.00 0.00 57.88 57.68 3hx7 h LEU 130 Cb 0.40 -0.23 -0.04 0.00 0.09 0.00 0.00 40.66 40.88 3hx7 h LEU 130 CO -0.25 1.40 0.43 -0.33 0.09 0.00 0.00 178.44 179.78 3hx7 h GLU 131 N 0.19 0.83 0.33 1.13 5.08 -0.67 -0.55 114.58 120.91 3hx7 h GLU 131 Ca -0.10 -0.05 -0.02 0.00 -1.00 0.00 0.00 59.36 58.19 3hx7 h GLU 131 Cb 1.52 -0.19 0.00 0.00 0.50 0.00 0.00 28.75 30.59 3hx7 h GLU 131 CO 0.17 0.55 -0.16 1.15 -1.00 0.00 0.00 179.01 179.72 3hx7 h THR 132 N 0.85 0.45 -0.02 1.13 2.02 -0.88 -3.38 112.91 113.08 3hx7 h THR 132 Ca 0.26 -0.76 0.00 0.00 0.77 0.00 0.00 66.41 66.68 3hx7 h THR 132 Cb -0.03 0.72 0.00 0.00 -1.74 0.00 0.00 68.15 67.10 3hx7 h THR 132 CO -0.09 0.10 -0.27 1.41 0.37 0.00 0.00 175.52 177.05 3hx7 n HIS 133 N -5.09 0.00 0.04 3.16 8.25 -0.91 -4.85 115.22 115.83 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 0.26 -0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.36 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 0.52 -0.55 0.09 4.41 3.72 -0.45 -4.77 117.46 120.42 3hx7 n PHE 134 Ca 0.11 0.10 -0.16 0.00 -0.05 0.00 0.00 57.45 57.46 3hx7 n PHE 134 Cb 0.52 0.25 -0.09 0.00 -0.94 0.00 0.00 39.48 39.21 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 -1.52 -0.90 4.37 3.38 -1.34 -1.62 115.31 117.68 3hx7 h LEU 135 Ca 0.00 0.17 -0.08 0.00 0.09 0.00 0.00 57.88 58.06 3hx7 h LEU 135 Cb 0.30 0.57 -0.02 0.00 0.09 0.00 0.00 40.66 41.60 3hx7 h LEU 135 CO 0.00 -0.53 -0.06 -0.78 0.09 0.00 0.00 178.44 177.16 3hx7 h ASP 136 N -0.70 0.72 -0.81 -0.43 -0.00 -1.84 -1.66 116.42 111.71 3hx7 h ASP 136 Ca 0.01 -0.19 0.08 0.00 -0.00 0.00 0.00 57.03 56.93 3hx7 h ASP 136 Cb 0.73 -0.19 -0.05 0.00 -0.00 0.00 0.00 39.33 39.81 3hx7 h ASP 136 CO -0.31 0.83 0.53 -0.33 -0.00 0.00 0.00 179.24 179.96 3hx7 h GLU 137 N 0.69 0.81 -0.09 0.28 4.39 -1.82 -1.50 114.58 117.34 3hx7 h GLU 137 Ca 0.13 -0.05 -0.13 0.00 0.34 0.00 0.00 59.36 59.65 3hx7 h GLU 137 Cb 0.51 -0.18 0.01 0.00 -0.10 0.00 0.00 28.75 28.98 3hx7 h GLU 137 CO 0.03 0.54 -0.44 0.93 -1.16 0.00 0.00 179.01 178.91 3hx7 h GLU 138 N 0.83 0.46 -0.69 2.33 4.39 -0.61 -2.49 114.58 118.80 3hx7 h GLU 138 Ca 0.36 -0.37 -0.05 0.00 0.34 0.00 0.00 59.36 59.64 3hx7 h GLU 138 Cb 0.30 0.08 -0.03 0.00 -0.10 0.00 0.00 28.75 29.00 3hx7 h GLU 138 CO -0.13 1.00 0.25 0.28 -1.16 0.00 0.00 179.01 179.25 3hx7 h VAL 139 N 0.03 1.24 -0.13 3.13 2.07 -0.95 -1.37 116.25 120.27 3hx7 h VAL 139 Ca -0.03 -0.80 -0.01 0.00 0.82 0.00 0.00 66.70 66.68 3hx7 h VAL 139 Cb 1.08 0.45 -0.01 0.00 -1.52 0.00 0.00 31.29 31.30 3hx7 h VAL 139 CO 0.09 0.32 0.03 0.11 0.02 0.00 0.00 177.57 178.14 3hx7 h LYS 140 N 1.00 0.20 -0.67 1.57 1.57 -1.33 -1.61 116.57 117.31 3hx7 h LYS 140 Ca 0.23 -0.05 0.00 0.00 -1.87 0.00 0.00 60.65 58.97 3hx7 h LYS 140 Cb 0.23 -0.03 -0.03 0.00 0.08 0.00 0.00 32.23 32.48 3hx7 h LYS 140 CO -0.02 0.36 0.43 1.25 -0.57 0.00 0.00 179.45 180.91 3hx7 h LEU 141 N 0.01 0.77 -0.25 2.94 5.85 -1.22 0.44 115.31 123.85 3hx7 h LEU 141 Ca 0.04 -0.02 -0.08 0.00 0.84 0.00 0.00 57.88 58.66 3hx7 h LEU 141 Cb 0.25 -0.19 -0.01 0.00 0.37 0.00 0.00 40.66 41.08 3hx7 h LEU 141 CO -0.00 0.57 -0.14 0.40 -0.34 0.00 0.00 178.44 178.93 3hx7 h ILE 142 N 0.91 1.30 -0.67 4.05 2.04 -1.10 -0.71 117.51 123.33 3hx7 h ILE 142 Ca 0.24 -1.23 0.05 0.00 1.00 0.00 0.00 64.86 64.92 3hx7 h ILE 142 Cb -0.09 1.57 -0.05 0.00 -0.74 0.00 0.00 36.82 37.50 3hx7 h ILE 142 CO -0.05 0.38 0.38 0.50 0.00 0.00 0.00 178.15 179.37 3hx7 h LYS 143 N 0.26 0.70 -0.17 2.37 1.63 -0.68 0.44 116.57 121.12 3hx7 h LYS 143 Ca 0.05 -0.04 0.00 0.00 -0.85 0.00 0.00 60.65 59.82 3hx7 h LYS 143 Cb 0.65 -0.16 -0.01 0.00 -0.60 0.00 0.00 32.23 32.11 3hx7 h LYS 143 CO 0.04 0.46 0.11 -0.22 -3.45 0.00 0.00 179.45 176.39 3hx7 h LYS 144 N 0.72 0.22 -0.66 1.90 3.64 -0.74 -0.40 116.57 121.25 3hx7 h LYS 144 Ca 0.29 -0.01 -0.06 0.00 -1.27 0.00 0.00 60.65 59.60 3hx7 h LYS 144 Cb 0.15 -0.05 -0.03 0.00 -0.41 0.00 0.00 32.23 31.89 3hx7 h LYS 144 CO -0.16 0.15 0.16 0.52 -2.27 0.00 0.00 179.45 177.84 3hx7 h MET 145 N 0.23 1.03 -0.75 1.90 2.86 -0.09 -0.29 114.93 119.81 3hx7 h MET 145 Ca 0.06 -0.24 -0.02 0.00 -2.06 0.00 0.00 59.70 57.45 3hx7 h MET 145 Cb -0.02 -0.14 -0.04 0.00 0.06 0.00 0.00 31.60 31.46 3hx7 h MET 145 CO -0.02 0.92 0.39 0.78 1.06 0.00 0.00 176.91 180.04 3hx7 h GLY 146 N 1.06 1.14 0.96 8.32 0.00 0.21 -0.66 103.07 114.10 3hx7 h GLY 146 Ca 0.21 -0.53 -0.00 0.00 0.00 0.00 0.00 47.33 47.00 3hx7 h GLY 146 CO 0.00 0.51 0.14 -0.55 0.00 0.00 0.00 176.54 176.64 3hx7 h ASP 147 N 1.05 0.30 -0.90 0.19 3.32 -0.48 -2.21 116.42 117.69 3hx7 h ASP 147 Ca 0.26 -0.06 0.06 0.00 0.02 0.00 0.00 57.03 57.31 3hx7 h ASP 147 Cb 0.07 -0.08 -0.06 0.00 0.22 0.00 0.00 39.33 39.48 3hx7 h ASP 147 CO -0.04 0.28 0.58 0.45 -1.72 0.00 0.00 179.24 178.79 3hx7 h HIS 148 N 0.30 1.04 0.06 4.55 3.86 -0.52 -2.24 115.15 122.20 3hx7 h HIS 148 Ca 0.09 0.03 -0.00 0.00 -1.16 0.00 0.00 60.37 59.32 3hx7 h HIS 148 Cb 0.04 -0.34 0.00 0.00 1.06 0.00 0.00 27.41 28.16 3hx7 h HIS 148 CO -0.04 0.56 -0.03 -0.07 0.86 0.00 0.00 177.93 179.21 3hx7 h LEU 149 N 1.04 -0.07 -0.86 2.43 3.38 -0.78 -1.13 115.31 119.31 3hx7 h LEU 149 Ca 0.38 -0.21 0.10 0.00 0.09 0.00 0.00 57.88 58.24 3hx7 h LEU 149 Cb 0.16 0.02 -0.08 0.00 0.09 0.00 0.00 40.66 40.86 3hx7 h LEU 149 CO -0.14 0.17 0.50 0.74 0.09 0.00 0.00 178.44 179.81 3hx7 h THR 150 N -0.31 0.90 -0.17 0.22 2.02 -1.12 0.17 112.91 114.63 3hx7 h THR 150 Ca -0.01 -0.28 -0.07 0.00 0.77 0.00 0.00 66.41 66.82 3hx7 h THR 150 Cb 0.27 0.00 -0.00 0.00 -1.74 0.00 0.00 68.15 66.69 3hx7 h THR 150 CO 0.01 0.15 -0.16 0.78 0.37 0.00 0.00 175.52 176.67 3hx7 h ASN 151 N 0.83 0.44 -0.62 4.18 2.35 -1.34 -1.54 115.58 119.87 3hx7 h ASN 151 Ca 0.42 -0.47 -0.01 0.00 -0.55 0.00 0.00 56.30 55.68 3hx7 h ASN 151 Cb 0.40 -0.12 -0.03 0.00 0.05 0.00 0.00 38.32 38.62 3hx7 h ASN 151 CO -0.26 0.82 0.34 -0.07 -1.65 0.00 0.00 177.43 176.62 3hx7 h LEU 152 N 0.06 0.80 -0.96 1.61 3.38 -0.75 -1.17 115.31 118.29 3hx7 h LEU 152 Ca 0.03 -0.06 -0.10 0.00 0.09 0.00 0.00 57.88 57.83 3hx7 h LEU 152 Cb 0.70 -0.20 -0.01 0.00 0.09 0.00 0.00 40.66 41.23 3hx7 h LEU 152 CO 0.04 0.65 -0.33 -0.74 0.09 0.00 0.00 178.44 178.15 3hx7 h HIS 153 N 0.90 0.40 -0.23 1.13 2.76 -0.91 -2.75 115.15 116.45 3hx7 h HIS 153 Ca 0.23 -0.10 -0.11 0.00 -2.20 0.00 0.00 60.37 58.19 3hx7 h HIS 153 Cb 0.04 -0.10 -0.01 0.00 1.55 0.00 0.00 27.41 28.89 3hx7 h HIS 153 CO 0.01 0.65 -0.33 -0.09 -1.30 0.00 0.00 177.93 176.86 3hx7 h ARG 154 N 0.31 0.48 -4.86 5.26 2.43 -0.17 -3.38 114.38 114.44 3hx7 h ARG 154 Ca 0.04 -0.21 -0.61 0.00 -0.81 0.00 0.00 59.98 58.38 3hx7 h ARG 154 Cb 0.73 -0.01 -0.02 0.00 -0.42 0.00 0.00 29.97 30.25 3hx7 h ARG 154 CO 0.06 0.76 2.27 1.28 -1.51 0.00 0.00 179.97 182.83 3hx7 n LEU 155 N -4.07 4.87 -2.72 3.80 4.77 -0.79 -4.31 117.00 118.56 3hx7 n LEU 155 Ca -0.01 -3.54 -0.01 0.00 -0.03 0.00 0.00 56.01 52.42 3hx7 n LEU 155 Cb 0.46 -1.54 0.02 0.00 -2.33 0.00 0.00 43.42 40.03 3hx7 n LEU 155 CO 0.43 -0.12 0.48 -0.83 -1.33 0.00 0.00 177.39 176.02 3hx7 s GLY 156 N 4.60 -1.74 0.00 -0.72 0.00 -1.26 -5.03 107.32 103.17 3hx7 s GLY 156 Ca 0.56 0.94 0.00 0.00 0.00 0.00 0.00 44.72 46.22 3hx7 s GLY 156 CO 0.05 4.32 0.00 0.61 0.00 0.00 0.00 173.10 178.08 3hx7 n GLY 157 N 3.13 0.79 3.67 0.20 0.00 -1.26 -5.01 105.19 106.71 3hx7 n GLY 157 Ca 0.08 -1.55 -0.30 0.00 0.00 0.00 0.00 46.02 44.26 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 0.80 0.00 1.61 0.04 -1.26 -3.62 135.00 132.57 3hx7 s PRO 158 Ca 0.00 0.89 0.00 0.00 0.04 0.00 0.00 61.00 61.93 3hx7 s PRO 158 Cb 0.00 -1.75 0.00 0.00 0.04 0.00 0.00 34.50 32.79 3hx7 s PRO 158 CO 0.00 -2.57 0.00 0.39 0.04 0.00 0.00 177.00 174.86 3hx7 n GLU 159 N -4.12 -1.49 0.00 4.56 1.02 -1.26 -4.83 120.64 114.52 3hx7 n GLU 159 Ca 0.07 0.37 0.00 0.00 -0.02 0.00 0.00 57.16 57.58 3hx7 n GLU 159 Cb 0.55 -4.50 0.00 0.00 -0.02 0.00 0.00 31.44 27.47 3hx7 n GLU 159 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31