#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3hx2 s SER 2 N 0.00 1.08 0.20 6.12 0.15 -1.26 -5.12 113.70 114.88 3hx2 s SER 2 Ca 0.00 -0.33 -0.32 0.00 0.70 0.00 0.00 55.95 56.00 3hx2 s SER 2 Cb 0.00 -0.07 -0.14 0.00 -1.71 0.00 0.00 66.02 64.10 3hx2 s SER 2 CO 0.00 -0.00 1.31 -0.24 1.20 0.00 0.00 173.24 175.51 3hx2 n SER 3 N 2.26 2.12 0.16 5.45 2.88 -1.26 -4.84 113.62 120.38 3hx2 n SER 3 Ca -0.17 1.14 0.11 0.00 -1.33 0.00 0.00 58.87 58.62 3hx2 n SER 3 Cb 0.56 -1.33 0.56 0.00 -0.75 0.00 0.00 64.21 63.25 3hx2 n SER 3 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 3hx2 n GLN 4 N 1.99 0.13 0.00 -1.46 10.64 -1.26 -1.68 117.38 125.74 3hx2 n GLN 4 Ca 0.14 0.63 0.05 0.00 -1.83 0.00 0.00 57.00 55.99 3hx2 n GLN 4 Cb 0.28 -1.94 0.01 0.00 -0.86 0.00 0.00 30.24 27.73 3hx2 n GLN 4 CO 0.00 0.00 0.00 0.44 -1.83 0.00 0.00 177.06 175.67 3hx2 n ILE 5 N -2.22 0.00 -2.02 -0.39 -5.35 -1.26 -5.02 119.36 103.09 3hx2 n ILE 5 Ca -0.01 -0.41 -0.41 0.00 -0.27 0.00 0.00 62.75 61.65 3hx2 n ILE 5 Cb 0.04 1.14 -0.02 0.00 -1.74 0.00 0.00 39.64 39.06 3hx2 n ILE 5 CO 0.00 0.00 0.00 -0.60 -1.76 0.00 0.00 176.55 174.19 3hx2 s ARG 6 N -1.31 4.28 -0.30 6.28 3.52 -0.68 -4.75 118.95 125.99 3hx2 s ARG 6 Ca 0.09 2.30 -0.14 0.00 -0.13 0.00 0.00 55.73 57.86 3hx2 s ARG 6 Cb 0.08 -3.08 0.15 0.00 -1.56 0.00 0.00 34.95 30.54 3hx2 s ARG 6 CO 0.24 -0.36 0.88 -1.14 -0.81 0.00 0.00 175.30 174.11 3hx2 s GLN 7 N -1.00 0.41 -1.86 5.12 0.74 -1.26 -4.93 119.66 116.88 3hx2 s GLN 7 Ca 0.55 0.93 0.00 0.00 0.05 0.00 0.00 55.36 56.90 3hx2 s GLN 7 Cb -0.42 0.46 0.00 0.00 1.10 0.00 0.00 33.01 34.15 3hx2 s GLN 7 CO 0.48 -0.12 0.00 -1.71 -0.55 0.00 0.00 175.29 173.39 3hx2 n ASN 8 N 4.81 -5.68 -4.11 6.67 5.15 -1.26 -4.95 115.26 115.89 3hx2 n ASN 8 Ca -0.12 0.14 -0.37 0.00 -0.60 0.00 0.00 54.58 53.63 3hx2 n ASN 8 Cb 0.53 -4.77 -0.10 0.00 -0.53 0.00 0.00 39.78 34.91 3hx2 n ASN 8 CO 0.00 0.00 0.00 -0.47 1.40 0.00 0.00 177.26 178.19 3hx2 s TYR 9 N -2.93 3.48 0.38 1.20 5.04 -1.26 -4.80 117.35 118.45 3hx2 s TYR 9 Ca 0.00 -2.55 -0.28 0.00 -2.44 0.00 0.00 57.07 51.80 3hx2 s TYR 9 Cb 0.00 -3.24 -0.10 0.00 0.35 0.00 0.00 41.96 38.97 3hx2 s TYR 9 CO 0.00 -0.90 1.42 -1.54 -1.34 0.00 0.00 175.55 173.19 3hx2 s SER 10 N 1.23 6.38 0.36 4.32 1.04 -1.26 -4.90 113.70 120.88 3hx2 s SER 10 Ca 0.13 2.92 0.27 0.00 0.48 0.00 0.00 55.95 59.75 3hx2 s SER 10 Cb -0.21 -2.66 1.12 0.00 0.10 0.00 0.00 66.02 64.37 3hx2 s SER 10 CO -0.04 -0.83 1.81 0.71 0.98 0.00 0.00 173.24 175.87 3hx2 h THR 11 N 2.86 0.00 0.22 2.02 1.35 -1.99 -1.90 112.91 115.48 3hx2 h THR 11 Ca -0.50 -0.32 -0.01 0.00 -0.55 0.00 0.00 66.41 65.02 3hx2 h THR 11 Cb 1.24 1.15 0.00 0.00 -1.73 0.00 0.00 68.15 68.81 3hx2 h THR 11 CO 0.64 0.00 -0.11 0.44 -0.25 0.00 0.00 175.52 176.24 3hx2 h ASP 12 N 0.00 -0.26 -0.08 5.36 5.19 -2.00 -2.56 116.42 122.08 3hx2 h ASP 12 Ca 0.00 -0.17 -0.01 0.00 -0.62 0.00 0.00 57.03 56.23 3hx2 h ASP 12 Cb 0.41 0.07 -0.00 0.00 0.18 0.00 0.00 39.33 39.98 3hx2 h ASP 12 CO 0.00 0.04 0.03 0.58 -3.12 0.00 0.00 179.24 176.77 3hx2 h VAL 13 N -0.56 1.16 -0.80 -1.35 2.07 -1.85 -2.09 116.25 112.82 3hx2 h VAL 13 Ca -0.03 -0.47 0.19 0.00 0.82 0.00 0.00 66.70 67.20 3hx2 h VAL 13 Cb 0.41 1.32 -0.14 0.00 -1.52 0.00 0.00 31.29 31.37 3hx2 h VAL 13 CO 0.05 0.14 -0.01 -0.08 0.02 0.00 0.00 177.57 177.69 3hx2 h GLU 14 N -0.04 0.08 -0.04 1.57 4.81 -1.38 0.37 114.58 119.95 3hx2 h GLU 14 Ca 0.03 -0.00 -0.15 0.00 -0.13 0.00 0.00 59.36 59.10 3hx2 h GLU 14 Cb 0.19 -0.02 -0.01 0.00 0.63 0.00 0.00 28.75 29.54 3hx2 h GLU 14 CO -0.00 0.05 -0.65 0.00 -0.73 0.00 0.00 179.01 177.68 3hx2 h ALA 15 N 1.76 0.84 -0.30 2.92 0.00 -1.33 -2.57 119.26 120.59 3hx2 h ALA 15 Ca 0.44 -0.58 -0.11 0.00 0.00 0.00 0.00 54.91 54.67 3hx2 h ALA 15 Cb 0.79 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.48 3hx2 h ALA 15 CO -0.73 0.77 -0.27 0.00 0.00 0.00 0.00 179.25 179.03 3hx2 h ALA 16 N 1.22 0.99 0.20 0.00 0.00 0.06 -2.56 119.26 119.17 3hx2 h ALA 16 Ca -0.01 -0.37 -0.01 0.00 0.00 0.00 0.00 54.91 54.52 3hx2 h ALA 16 Cb 1.16 -0.13 0.00 0.00 0.00 0.00 0.00 17.79 18.82 3hx2 h ALA 16 CO 0.09 0.60 -0.10 0.28 0.00 0.00 0.00 179.25 180.13 3hx2 h VAL 17 N 0.51 0.85 -0.05 0.00 2.07 -0.23 -0.42 116.25 118.98 3hx2 h VAL 17 Ca 0.07 -0.25 0.01 0.00 0.82 0.00 0.00 66.70 67.35 3hx2 h VAL 17 Cb 0.73 1.00 -0.00 0.00 -1.52 0.00 0.00 31.29 31.50 3hx2 h VAL 17 CO 0.06 0.06 0.07 0.78 0.02 0.00 0.00 177.57 178.55 3hx2 h ASN 18 N -0.39 0.00 0.24 0.57 2.35 -1.36 0.33 115.58 117.32 3hx2 h ASN 18 Ca -0.03 0.00 -0.33 0.00 -0.55 0.00 0.00 56.30 55.39 3hx2 h ASN 18 Cb 0.30 0.00 0.03 0.00 0.05 0.00 0.00 38.32 38.71 3hx2 h ASN 18 CO 0.05 0.00 -1.50 0.28 -1.65 0.00 0.00 177.43 174.61 3hx2 h SER 19 N 0.00 0.79 -0.46 5.81 0.02 -1.03 -2.97 113.55 115.72 3hx2 h SER 19 Ca 0.02 -0.92 -0.04 0.00 -0.84 0.00 0.00 61.79 60.01 3hx2 h SER 19 Cb 0.15 -0.26 -0.02 0.00 0.14 0.00 0.00 62.40 62.41 3hx2 h SER 19 CO -0.00 1.71 0.17 0.25 -1.14 0.00 0.00 176.83 177.83 3hx2 h LEU 20 N 0.11 0.70 0.01 5.07 5.85 0.28 0.56 115.31 127.90 3hx2 h LEU 20 Ca -0.27 -0.10 -0.00 0.00 0.84 0.00 0.00 57.88 58.35 3hx2 h LEU 20 Cb 2.13 -0.18 0.00 0.00 0.37 0.00 0.00 40.66 42.98 3hx2 h LEU 20 CO 0.25 0.66 -0.01 0.58 -0.34 0.00 0.00 178.44 179.59 3hx2 h VAL 21 N 0.75 1.07 -0.53 1.05 2.07 -1.04 0.16 116.25 119.79 3hx2 h VAL 21 Ca 0.17 -0.23 -0.01 0.00 0.82 0.00 0.00 66.70 67.45 3hx2 h VAL 21 Cb 0.21 1.23 -0.03 0.00 -1.52 0.00 0.00 31.29 31.18 3hx2 h VAL 21 CO -0.01 0.06 0.28 -1.13 0.02 0.00 0.00 177.57 176.79 3hx2 h ASN 22 N -0.12 0.64 -0.56 0.57 -0.73 -1.27 0.30 115.58 114.42 3hx2 h ASN 22 Ca -0.00 -0.05 -0.06 0.00 1.87 0.00 0.00 56.30 58.06 3hx2 h ASN 22 Cb 0.11 -0.16 -0.02 0.00 0.27 0.00 0.00 38.32 38.52 3hx2 h ASN 22 CO 0.00 0.53 0.13 0.25 -0.37 0.00 0.00 177.43 177.97 3hx2 h LEU 23 N 0.73 0.86 -0.39 0.34 5.85 -0.36 -0.73 115.31 121.61 3hx2 h LEU 23 Ca 0.19 -0.24 -0.17 0.00 0.84 0.00 0.00 57.88 58.50 3hx2 h LEU 23 Cb 0.04 -0.23 -0.00 0.00 0.37 0.00 0.00 40.66 40.84 3hx2 h LEU 23 CO -0.03 0.88 -0.52 1.88 -0.34 0.00 0.00 178.44 180.31 3hx2 h TYR 24 N 0.81 0.97 -0.45 1.25 -1.99 0.36 -1.22 116.97 116.70 3hx2 h TYR 24 Ca 0.17 -0.33 -0.02 0.00 2.00 0.00 0.00 58.73 60.55 3hx2 h TYR 24 Cb 0.36 -0.19 -0.02 0.00 2.00 0.00 0.00 36.73 38.88 3hx2 h TYR 24 CO 0.03 1.13 0.18 -0.07 -0.00 0.00 0.00 178.16 179.42 3hx2 h LEU 25 N 0.61 0.58 -0.36 3.88 3.38 -0.31 -1.01 115.31 122.09 3hx2 h LEU 25 Ca 0.02 -0.06 -0.17 0.00 0.09 0.00 0.00 57.88 57.75 3hx2 h LEU 25 Cb 1.10 -0.15 -0.00 0.00 0.09 0.00 0.00 40.66 41.70 3hx2 h LEU 25 CO 0.11 0.53 -0.48 -0.61 0.09 0.00 0.00 178.44 178.09 3hx2 h GLN 26 N 0.64 0.88 -0.46 1.13 4.15 -0.87 -2.37 115.11 118.22 3hx2 h GLN 26 Ca 0.16 -0.51 -0.06 0.00 0.77 0.00 0.00 58.65 59.00 3hx2 h GLN 26 Cb 0.14 0.04 -0.02 0.00 0.21 0.00 0.00 27.48 27.85 3hx2 h GLN 26 CO -0.01 1.16 0.04 0.00 -1.93 0.00 0.00 178.83 178.08 3hx2 h ALA 27 N 0.75 0.61 -0.47 3.38 0.00 -0.68 -2.14 119.26 120.72 3hx2 h ALA 27 Ca 0.03 -0.25 -0.00 0.00 0.00 0.00 0.00 54.91 54.69 3hx2 h ALA 27 Cb 1.07 -0.17 -0.02 0.00 0.00 0.00 0.00 17.79 18.67 3hx2 h ALA 27 CO 0.11 0.37 0.29 1.03 0.00 0.00 0.00 179.25 181.05 3hx2 h SER 28 N 0.64 0.56 -0.50 0.00 0.87 -1.17 -1.43 113.55 112.52 3hx2 h SER 28 Ca 0.13 -0.05 -0.01 0.00 -1.23 0.00 0.00 61.79 60.63 3hx2 h SER 28 Cb 0.44 -0.14 -0.03 0.00 -0.44 0.00 0.00 62.40 62.23 3hx2 h SER 28 CO 0.02 0.45 0.27 0.22 -0.53 0.00 0.00 176.83 177.26 3hx2 h TYR 29 N 0.63 0.71 0.05 2.24 3.20 -1.28 0.85 116.97 123.37 3hx2 h TYR 29 Ca 0.17 -0.01 -0.00 0.00 3.14 0.00 0.00 58.73 62.03 3hx2 h TYR 29 Cb -0.01 -0.23 0.00 0.00 1.54 0.00 0.00 36.73 38.03 3hx2 h TYR 29 CO -0.03 0.51 -0.02 1.15 -1.64 0.00 0.00 178.16 178.13 3hx2 h THR 30 N 0.74 1.16 -0.41 1.81 2.02 -0.83 -2.44 112.91 114.96 3hx2 h THR 30 Ca 0.19 -0.69 0.00 0.00 0.77 0.00 0.00 66.41 66.69 3hx2 h THR 30 Cb 0.05 1.61 -0.02 0.00 -1.74 0.00 0.00 68.15 68.05 3hx2 h THR 30 CO -0.03 0.17 0.26 1.88 0.37 0.00 0.00 175.52 178.18 3hx2 h TYR 31 N -0.36 0.51 -0.50 3.16 0.05 -0.76 0.28 116.97 119.34 3hx2 h TYR 31 Ca -0.01 0.01 -0.03 0.00 0.05 0.00 0.00 58.73 58.75 3hx2 h TYR 31 Cb 0.33 -0.17 -0.02 0.00 1.01 0.00 0.00 36.73 37.88 3hx2 h TYR 31 CO 0.03 0.33 0.19 1.25 -1.05 0.00 0.00 178.16 178.90 3hx2 h LEU 32 N 0.55 0.70 -0.15 3.88 5.85 -0.69 0.27 115.31 125.73 3hx2 h LEU 32 Ca 0.15 -0.18 -0.02 0.00 0.84 0.00 0.00 57.88 58.67 3hx2 h LEU 32 Cb -0.06 -0.18 -0.01 0.00 0.37 0.00 0.00 40.66 40.78 3hx2 h LEU 32 CO -0.03 0.69 0.03 -1.28 -0.34 0.00 0.00 178.44 177.52 3hx2 h SER 33 N 0.67 0.24 -0.92 1.25 0.87 -0.83 -2.11 113.55 112.72 3hx2 h SER 33 Ca 0.17 -0.24 0.07 0.00 -1.23 0.00 0.00 61.79 60.56 3hx2 h SER 33 Cb 0.22 -0.06 -0.07 0.00 -0.44 0.00 0.00 62.40 62.05 3hx2 h SER 33 CO -0.01 0.41 0.58 -0.07 -0.53 0.00 0.00 176.83 177.21 3hx2 h LEU 34 N 0.05 0.91 0.63 2.23 3.38 -0.78 -1.64 115.31 120.08 3hx2 h LEU 34 Ca 0.05 0.02 -0.03 0.00 0.09 0.00 0.00 57.88 58.01 3hx2 h LEU 34 Cb 0.27 -0.17 -0.00 0.00 0.09 0.00 0.00 40.66 40.85 3hx2 h LEU 34 CO 0.00 0.57 -0.39 1.23 0.09 0.00 0.00 178.44 179.93 3hx2 h GLY 35 N 1.03 -1.13 1.74 0.83 0.00 -0.12 -2.75 103.07 102.67 3hx2 h GLY 35 Ca 0.41 0.46 0.00 0.00 0.00 0.00 0.00 47.33 48.21 3hx2 h GLY 35 CO -0.19 -0.38 0.00 0.69 0.00 0.00 0.00 176.54 176.66 3hx2 n PHE 36 N -4.86 0.00 -0.01 5.60 3.01 -0.82 -2.31 117.46 118.07 3hx2 n PHE 36 Ca -0.12 0.00 -0.17 0.00 1.01 0.00 0.00 57.45 58.18 3hx2 n PHE 36 Cb 0.40 -0.37 -0.11 0.00 -0.01 0.00 0.00 39.48 39.39 3hx2 n PHE 36 CO 0.00 0.00 0.00 -0.92 1.01 0.00 0.00 176.76 176.85 3hx2 h TYR 37 N 0.00 0.50 0.00 1.38 3.20 -0.99 -3.16 116.97 117.89 3hx2 h TYR 37 Ca 0.00 -0.27 0.00 0.00 3.14 0.00 0.00 58.73 61.60 3hx2 h TYR 37 Cb 0.11 -0.06 0.00 0.00 1.54 0.00 0.00 36.73 38.33 3hx2 h TYR 37 CO 0.00 1.08 0.00 1.19 -1.64 0.00 0.00 178.16 178.79 3hx2 n PHE 38 N -4.31 0.00 1.33 -3.82 3.72 -0.98 -2.37 117.46 111.03 3hx2 n PHE 38 Ca -0.10 0.00 0.14 0.00 -0.05 0.00 0.00 57.45 57.44 3hx2 n PHE 38 Cb 0.62 -0.40 0.51 0.00 -0.94 0.00 0.00 39.48 39.26 3hx2 n PHE 38 CO 0.00 0.00 0.00 -3.47 -0.05 0.00 0.00 176.76 173.24 3hx2 n ASP 39 N -1.40 0.71 -4.77 4.37 -0.08 -1.20 -1.36 116.55 112.82 3hx2 n ASP 39 Ca 0.08 -0.70 -0.40 0.00 -1.51 0.00 0.00 54.79 52.26 3hx2 n ASP 39 Cb 0.24 0.02 -0.01 0.00 2.34 0.00 0.00 41.12 43.71 3hx2 n ASP 39 CO 0.00 0.00 0.00 -0.13 0.12 0.00 0.00 177.20 177.19 3hx2 s ARG 40 N -2.49 4.09 0.42 -0.67 0.52 -1.00 -4.74 118.95 115.08 3hx2 s ARG 40 Ca 0.27 2.21 0.29 0.00 -0.52 0.00 0.00 55.73 57.98 3hx2 s ARG 40 Cb 0.20 -2.86 1.46 0.00 0.52 0.00 0.00 34.95 34.26 3hx2 s ARG 40 CO 0.50 -0.41 1.89 0.38 0.02 0.00 0.00 175.30 177.68 3hx2 h ASP 41 N 2.91 0.00 0.09 0.23 2.03 -1.90 0.83 116.42 120.60 3hx2 h ASP 41 Ca -0.50 0.00 0.00 0.00 -0.73 0.00 0.00 57.03 55.80 3hx2 h ASP 41 Cb 1.24 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 39.74 3hx2 h ASP 41 CO 0.63 0.00 -0.57 -0.90 -1.03 0.00 0.00 179.24 177.37 3hx2 n ASP 42 N -2.57 1.43 -0.07 4.15 3.85 -1.26 -4.36 116.55 117.72 3hx2 n ASP 42 Ca -0.01 -1.14 -0.13 0.00 -0.71 0.00 0.00 54.79 52.80 3hx2 n ASP 42 Cb 0.13 0.52 -0.04 0.00 -1.35 0.00 0.00 41.12 40.38 3hx2 n ASP 42 CO 0.00 0.00 0.00 0.52 -1.01 0.00 0.00 177.20 176.71 3hx2 n VAL 43 N -0.66 1.23 -3.74 2.12 0.31 -0.47 -5.07 118.33 112.06 3hx2 n VAL 43 Ca 0.08 -0.01 -0.24 0.00 -0.01 0.00 0.00 64.34 64.15 3hx2 n VAL 43 Cb 0.40 -1.93 0.00 0.00 -0.91 0.00 0.00 33.84 31.40 3hx2 n VAL 43 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 3hx2 n ALA 44 N -4.00 -2.75 -3.59 3.52 0.00 0.28 -4.98 120.51 108.99 3hx2 n ALA 44 Ca -0.23 -0.27 -0.28 0.00 0.00 0.00 0.00 53.44 52.66 3hx2 n ALA 44 Cb 0.56 -1.09 -0.11 0.00 0.00 0.00 0.00 19.45 18.81 3hx2 n ALA 44 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 3hx2 s LEU 45 N -5.15 2.59 0.36 0.00 1.43 -0.46 -4.99 118.68 112.45 3hx2 s LEU 45 Ca 0.06 -3.24 0.11 0.00 -1.03 0.00 0.00 54.13 50.03 3hx2 s LEU 45 Cb -0.03 -0.87 0.88 0.00 0.03 0.00 0.00 46.19 46.20 3hx2 s LEU 45 CO 0.89 -0.16 1.82 -0.08 0.23 0.00 0.00 176.35 179.05 3hx2 h GLU 46 N 5.72 0.61 0.09 1.70 4.81 -1.94 0.12 114.58 125.69 3hx2 h GLU 46 Ca 0.20 -0.04 -0.00 0.00 -0.13 0.00 0.00 59.36 59.38 3hx2 h GLU 46 Cb 0.86 -0.14 0.00 0.00 0.63 0.00 0.00 28.75 30.11 3hx2 h GLU 46 CO 0.49 0.40 -0.04 0.78 -0.73 0.00 0.00 179.01 179.91 3hx2 h GLY 47 N 0.63 -0.12 0.88 1.92 0.00 -1.95 -1.69 103.07 102.73 3hx2 h GLY 47 Ca 0.52 0.05 -0.00 0.00 0.00 0.00 0.00 47.33 47.89 3hx2 h GLY 47 CO -0.27 -0.05 0.01 -2.08 0.00 0.00 0.00 176.54 174.16 3hx2 h VAL 48 N -0.38 1.11 -0.58 4.60 2.07 -1.85 -1.19 116.25 120.03 3hx2 h VAL 48 Ca -0.01 -0.32 0.12 0.00 0.82 0.00 0.00 66.70 67.31 3hx2 h VAL 48 Cb 0.32 1.28 -0.09 0.00 -1.52 0.00 0.00 31.29 31.27 3hx2 h VAL 48 CO 0.02 0.09 0.02 -1.28 0.02 0.00 0.00 177.57 176.44 3hx2 h SER 49 N -0.09 -0.21 -0.76 0.57 0.87 -1.00 -0.10 113.55 112.84 3hx2 h SER 49 Ca 0.01 0.14 -0.04 0.00 -1.23 0.00 0.00 61.79 60.67 3hx2 h SER 49 Cb 0.13 0.23 -0.03 0.00 -0.44 0.00 0.00 62.40 62.29 3hx2 h SER 49 CO -0.00 -0.08 0.32 -0.74 -0.53 0.00 0.00 176.83 175.80 3hx2 h HIS 50 N 0.14 1.14 -0.93 2.24 6.17 -1.13 -1.91 115.15 120.87 3hx2 h HIS 50 Ca 0.30 -0.08 0.06 0.00 0.71 0.00 0.00 60.37 61.37 3hx2 h HIS 50 Cb 0.47 -0.34 -0.06 0.00 2.52 0.00 0.00 27.41 30.00 3hx2 h HIS 50 CO -0.33 0.86 0.59 0.35 0.71 0.00 0.00 177.93 180.11 3hx2 h PHE 51 N 1.09 1.09 0.10 5.26 3.57 0.23 -1.65 116.94 126.64 3hx2 h PHE 51 Ca 0.26 0.03 -0.27 0.00 3.53 0.00 0.00 57.97 61.52 3hx2 h PHE 51 Cb 0.19 -0.35 0.01 0.00 2.79 0.00 0.00 35.95 38.58 3hx2 h PHE 51 CO 0.02 0.56 -1.18 0.74 -2.23 0.00 0.00 178.31 176.22 3hx2 h PHE 52 N 1.07 0.62 0.00 0.41 0.05 -1.15 -2.99 116.94 114.96 3hx2 h PHE 52 Ca 0.40 -0.41 -0.03 0.00 3.82 0.00 0.00 57.97 61.75 3hx2 h PHE 52 Cb 0.17 -0.04 -0.00 0.00 2.00 0.00 0.00 35.95 38.07 3hx2 h PHE 52 CO -0.02 1.29 -0.15 0.00 -0.18 0.00 0.00 178.31 179.25 3hx2 h ARG 53 N 0.15 0.00 -0.04 1.51 3.08 -0.97 0.48 114.38 118.58 3hx2 h ARG 53 Ca -0.13 0.00 -0.23 0.00 0.07 0.00 0.00 59.98 59.68 3hx2 h ARG 53 Cb 1.87 0.00 0.02 0.00 0.08 0.00 0.00 29.97 31.93 3hx2 h ARG 53 CO 0.20 0.15 -0.87 0.93 -1.07 0.00 0.00 179.97 179.31 3hx2 h GLU 54 N 0.00 0.67 -0.37 0.04 5.08 -1.32 -3.00 114.58 115.68 3hx2 h GLU 54 Ca -0.00 -0.66 -0.05 0.00 -1.00 0.00 0.00 59.36 57.64 3hx2 h GLU 54 Cb 0.40 0.17 -0.02 0.00 0.50 0.00 0.00 28.75 29.80 3hx2 h GLU 54 CO 0.02 1.26 -0.00 -0.07 -1.00 0.00 0.00 179.01 179.22 3hx2 h LEU 55 N 0.33 0.54 -1.11 1.33 3.38 -1.14 -0.52 115.31 118.12 3hx2 h LEU 55 Ca -0.10 -0.11 -0.00 0.00 0.09 0.00 0.00 57.88 57.76 3hx2 h LEU 55 Cb 1.53 -0.14 -0.04 0.00 0.09 0.00 0.00 40.66 42.10 3hx2 h LEU 55 CO 0.17 0.62 0.49 0.00 0.09 0.00 0.00 178.44 179.82 3hx2 h ALA 56 N 1.45 1.34 -0.01 1.53 0.00 -0.91 -1.37 119.26 121.30 3hx2 h ALA 56 Ca 0.12 -0.09 -0.20 0.00 0.00 0.00 0.00 54.91 54.74 3hx2 h ALA 56 Cb 0.36 -0.33 -0.01 0.00 0.00 0.00 0.00 17.79 17.81 3hx2 h ALA 56 CO 0.01 0.58 -0.87 1.49 0.00 0.00 0.00 179.25 180.45 3hx2 h GLU 57 N 1.12 0.27 -0.85 0.00 4.57 -1.19 -2.14 114.58 116.36 3hx2 h GLU 57 Ca 0.29 -0.28 -0.03 0.00 -1.18 0.00 0.00 59.36 58.16 3hx2 h GLU 57 Cb -0.05 0.08 -0.04 0.00 -0.16 0.00 0.00 28.75 28.58 3hx2 h GLU 57 CO -0.06 0.99 0.41 0.93 -1.18 0.00 0.00 179.01 180.10 3hx2 h GLU 58 N 0.15 1.23 -0.54 1.92 5.08 -0.50 -1.12 114.58 120.81 3hx2 h GLU 58 Ca -0.05 -0.18 -0.06 0.00 -1.00 0.00 0.00 59.36 58.07 3hx2 h GLU 58 Cb 1.49 -0.22 -0.02 0.00 0.50 0.00 0.00 28.75 30.50 3hx2 h GLU 58 CO 0.14 0.94 0.10 0.87 -1.00 0.00 0.00 179.01 180.06 3hx2 h LYS 59 N 1.22 0.88 -0.46 2.33 1.79 -1.17 0.68 116.57 121.85 3hx2 h LYS 59 Ca 0.29 -0.23 0.01 0.00 -2.18 0.00 0.00 60.65 58.54 3hx2 h LYS 59 Cb 0.12 -0.11 -0.02 0.00 -1.58 0.00 0.00 32.23 30.64 3hx2 h LYS 59 CO -0.04 0.86 0.30 -0.09 -1.08 0.00 0.00 179.45 179.40 3hx2 h ARG 60 N 0.77 0.58 -0.02 3.15 2.43 -0.77 0.22 114.38 120.73 3hx2 h ARG 60 Ca 0.16 -0.03 -0.18 0.00 -0.81 0.00 0.00 59.98 59.12 3hx2 h ARG 60 Cb 0.39 -0.13 -0.01 0.00 -0.42 0.00 0.00 29.97 29.80 3hx2 h ARG 60 CO 0.01 0.38 -0.78 0.93 -1.51 0.00 0.00 179.97 179.00 3hx2 h GLU 61 N 0.60 0.21 0.36 0.20 5.08 -0.65 -2.49 114.58 117.90 3hx2 h GLU 61 Ca 0.17 -0.20 -0.02 0.00 -1.00 0.00 0.00 59.36 58.31 3hx2 h GLU 61 Cb -0.03 0.05 0.00 0.00 0.50 0.00 0.00 28.75 29.27 3hx2 h GLU 61 CO -0.04 0.89 -0.17 0.78 -1.00 0.00 0.00 179.01 179.47 3hx2 h GLY 62 N 1.71 -0.51 2.00 -3.84 0.00 0.17 -1.04 103.07 101.56 3hx2 h GLY 62 Ca -0.03 0.19 -0.02 0.00 0.00 0.00 0.00 47.33 47.46 3hx2 h GLY 62 CO 0.12 -0.18 -0.11 0.10 0.00 0.00 0.00 176.54 176.47 3hx2 h TYR 63 N -0.57 0.00 -0.22 5.60 -0.00 -1.13 -2.42 116.97 118.24 3hx2 h TYR 63 Ca -0.05 0.00 -0.20 0.00 0.00 0.00 0.00 58.73 58.48 3hx2 h TYR 63 Cb 0.42 0.00 0.00 0.00 0.00 0.00 0.00 36.73 37.15 3hx2 h TYR 63 CO -0.03 0.11 -0.64 0.93 -0.00 0.00 0.00 178.16 178.52 3hx2 h GLU 64 N 0.00 0.79 -0.20 0.10 5.08 -1.29 -1.33 114.58 117.74 3hx2 h GLU 64 Ca -0.00 -0.56 -0.12 0.00 -1.00 0.00 0.00 59.36 57.68 3hx2 h GLU 64 Cb 0.73 0.09 -0.01 0.00 0.50 0.00 0.00 28.75 30.05 3hx2 h GLU 64 CO 0.01 1.18 -0.38 -0.09 -1.00 0.00 0.00 179.01 178.73 3hx2 h ARG 65 N 0.58 0.44 -0.11 2.33 2.43 -1.01 -0.97 114.38 118.06 3hx2 h ARG 65 Ca -0.01 -0.21 -0.01 0.00 -0.81 0.00 0.00 59.98 58.94 3hx2 h ARG 65 Cb 1.25 -0.00 -0.00 0.00 -0.42 0.00 0.00 29.97 30.79 3hx2 h ARG 65 CO 0.13 0.76 0.03 -0.07 -1.51 0.00 0.00 179.97 179.31 3hx2 h LEU 66 N 0.37 0.18 -1.28 3.80 3.38 -1.27 -1.56 115.31 118.92 3hx2 h LEU 66 Ca 0.04 -0.24 -0.04 0.00 0.09 0.00 0.00 57.88 57.73 3hx2 h LEU 66 Cb 0.84 -0.05 -0.02 0.00 0.09 0.00 0.00 40.66 41.52 3hx2 h LEU 66 CO 0.07 0.37 0.05 -0.07 0.09 0.00 0.00 178.44 178.95 3hx2 h LEU 67 N -0.02 0.50 -0.73 1.67 3.38 -1.09 0.78 115.31 119.78 3hx2 h LEU 67 Ca 0.04 -0.08 -0.07 0.00 0.09 0.00 0.00 57.88 57.86 3hx2 h LEU 67 Cb 0.26 -0.13 -0.03 0.00 0.09 0.00 0.00 40.66 40.85 3hx2 h LEU 67 CO 0.00 0.53 0.19 0.50 0.09 0.00 0.00 178.44 179.75 3hx2 h LYS 68 N 0.52 1.15 -0.22 1.13 1.63 -0.92 -2.46 116.57 117.41 3hx2 h LYS 68 Ca 0.12 -0.27 -0.19 0.00 -0.85 0.00 0.00 60.65 59.46 3hx2 h LYS 68 Cb 0.26 -0.16 0.00 0.00 -0.60 0.00 0.00 32.23 31.74 3hx2 h LYS 68 CO 0.00 1.00 -0.62 1.98 -3.45 0.00 0.00 179.45 178.36 3hx2 h MET 69 N 1.10 0.76 -0.33 1.90 4.05 -0.68 -2.69 114.93 119.04 3hx2 h MET 69 Ca 0.23 -0.52 0.07 0.00 -0.28 0.00 0.00 59.70 59.20 3hx2 h MET 69 Cb 0.36 0.08 -0.07 0.00 -0.80 0.00 0.00 31.60 31.17 3hx2 h MET 69 CO -0.00 1.15 -0.13 0.37 0.23 0.00 0.00 176.91 178.53 3hx2 h GLN 70 N 0.56 -0.07 0.00 0.39 5.75 -0.51 -0.92 115.11 120.32 3hx2 h GLN 70 Ca -0.01 0.00 -0.07 0.00 -0.15 0.00 0.00 58.65 58.42 3hx2 h GLN 70 Cb 1.22 0.01 -0.01 0.00 1.07 0.00 0.00 27.48 29.77 3hx2 h GLN 70 CO 0.13 -0.04 -0.34 -0.91 -2.65 0.00 0.00 178.83 175.01 3hx2 h ASN 71 N -0.07 0.00 0.67 -0.69 4.21 -1.45 -1.09 115.58 117.16 3hx2 h ASN 71 Ca 0.16 0.00 -0.09 0.00 1.21 0.00 0.00 56.30 57.58 3hx2 h ASN 71 Cb 0.32 0.00 -0.01 0.00 -1.12 0.00 0.00 38.32 37.50 3hx2 h ASN 71 CO -0.37 0.34 -0.45 1.56 -1.29 0.00 0.00 177.43 177.22 3hx2 h GLN 72 N 0.00 0.00 0.00 0.81 4.20 -0.86 -3.17 115.11 116.09 3hx2 h GLN 72 Ca -0.00 0.00 -0.24 0.00 0.06 0.00 0.00 58.65 58.46 3hx2 h GLN 72 Cb 0.78 0.00 -0.04 0.00 0.30 0.00 0.00 27.48 28.52 3hx2 h GLN 72 CO 0.04 0.45 -1.35 0.00 -0.67 0.00 0.00 178.83 177.30 3hx2 h ARG 73 N 0.00 0.00 0.00 1.46 2.47 -1.10 -3.48 114.38 113.73 3hx2 h ARG 73 Ca -0.00 0.00 0.00 0.00 -1.26 0.00 0.00 59.98 58.72 3hx2 h ARG 73 Cb 0.90 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 29.22 3hx2 h ARG 73 CO 0.06 0.69 0.00 0.41 0.56 0.00 0.00 179.97 181.69 3hx2 n GLY 74 N 1.45 1.24 3.47 0.04 0.00 -1.11 -3.63 105.19 106.66 3hx2 n GLY 74 Ca -0.09 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.64 3hx2 n GLY 74 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 3hx2 s GLY 75 N -1.09 1.51 -0.03 -0.02 0.00 -0.43 -4.59 107.32 102.67 3hx2 s GLY 75 Ca 0.00 -0.58 0.01 0.00 0.00 0.00 0.00 44.72 44.15 3hx2 s GLY 75 CO 0.00 0.26 -0.05 0.50 0.00 0.00 0.00 173.10 173.81 3hx2 s ARG 76 N -4.94 0.72 0.21 2.90 1.81 -1.26 -4.39 118.95 114.00 3hx2 s ARG 76 Ca 0.69 -0.15 -0.30 0.00 -1.72 0.00 0.00 55.73 54.25 3hx2 s ARG 76 Cb -0.17 -0.72 -0.08 0.00 -0.45 0.00 0.00 34.95 33.53 3hx2 s ARG 76 CO 0.60 0.00 1.14 0.00 -0.68 0.00 0.00 175.30 176.35 3hx2 s ALA 77 N 0.52 3.40 -0.13 2.13 0.00 -1.26 -4.96 121.76 121.47 3hx2 s ALA 77 Ca -0.07 0.89 -0.02 0.00 0.00 0.00 0.00 51.96 52.76 3hx2 s ALA 77 Cb -0.10 -3.37 0.04 0.00 0.00 0.00 0.00 23.12 19.69 3hx2 s ALA 77 CO 0.00 -0.26 0.03 -0.51 0.00 0.00 0.00 175.76 175.02 3hx2 s LEU 78 N -0.60 0.79 -0.09 0.00 1.43 -1.26 -5.14 118.68 113.82 3hx2 s LEU 78 Ca 0.49 -0.44 -0.10 0.00 -1.03 0.00 0.00 54.13 53.06 3hx2 s LEU 78 Cb -0.31 -0.48 -0.05 0.00 0.03 0.00 0.00 46.19 45.39 3hx2 s LEU 78 CO 0.37 -0.26 0.22 -0.36 0.23 0.00 0.00 176.35 176.56 3hx2 s PHE 79 N 1.95 3.63 0.31 0.29 0.08 -1.26 -4.88 117.98 118.10 3hx2 s PHE 79 Ca 0.02 0.66 0.10 0.00 0.12 0.00 0.00 56.93 57.84 3hx2 s PHE 79 Cb -0.15 -2.06 -0.05 0.00 -0.57 0.00 0.00 43.02 40.19 3hx2 s PHE 79 CO -0.07 0.68 -0.09 -0.65 -0.10 0.00 0.00 175.22 175.00 3hx2 s GLN 80 N -0.94 1.92 0.44 0.44 -1.52 -1.26 -5.10 119.66 113.63 3hx2 s GLN 80 Ca 0.17 -1.75 -0.24 0.00 -1.95 0.00 0.00 55.36 51.60 3hx2 s GLN 80 Cb -0.13 -1.86 -0.10 0.00 -0.22 0.00 0.00 33.01 30.70 3hx2 s GLN 80 CO 0.07 0.24 1.05 -0.25 -0.25 0.00 0.00 175.29 176.14 3hx2 n ASP 81 N -0.80 1.42 -4.54 5.90 10.43 -1.26 -4.94 116.55 122.77 3hx2 n ASP 81 Ca -0.05 1.03 -0.40 0.00 2.57 0.00 0.00 54.79 57.94 3hx2 n ASP 81 Cb 0.61 -1.38 -0.11 0.00 1.84 0.00 0.00 41.12 42.09 3hx2 n ASP 81 CO 0.00 0.00 0.00 -0.63 -1.07 0.00 0.00 177.20 175.50 3hx2 s ILE 82 N -1.28 5.28 0.07 0.53 1.01 -1.26 -5.05 121.20 120.50 3hx2 s ILE 82 Ca 0.64 -0.13 -0.31 0.00 0.00 0.00 0.00 60.65 60.86 3hx2 s ILE 82 Cb -0.54 -3.69 -0.08 0.00 0.01 0.00 0.00 42.46 38.16 3hx2 s ILE 82 CO 0.56 0.03 1.57 -0.75 0.00 0.00 0.00 174.94 176.35 3hx2 s LYS 83 N 1.75 4.23 0.78 2.79 2.20 -1.26 -4.98 119.74 125.24 3hx2 s LYS 83 Ca 0.07 2.24 -0.15 0.00 -0.36 0.00 0.00 55.97 57.77 3hx2 s LYS 83 Cb -0.17 -3.50 0.02 0.00 -1.51 0.00 0.00 37.83 32.67 3hx2 s LYS 83 CO 0.11 -0.66 0.85 0.36 -0.36 0.00 0.00 175.35 175.64 3hx2 n LYS 84 N 5.17 0.25 -1.65 4.03 2.85 -1.26 -4.90 118.16 122.65 3hx2 n LYS 84 Ca 0.15 0.14 -0.37 0.00 -1.05 0.00 0.00 58.31 57.18 3hx2 n LYS 84 Cb 0.41 -2.13 0.07 0.00 -0.65 0.00 0.00 35.03 32.73 3hx2 n LYS 84 CO 0.00 0.00 0.00 -2.30 -0.05 0.00 0.00 177.40 175.05 3hx2 n PRO 85 N -1.97 0.98 0.31 -1.58 -0.02 -1.26 -4.90 135.00 126.57 3hx2 n PRO 85 Ca 0.12 0.39 0.19 0.00 -2.02 0.00 0.00 63.50 62.17 3hx2 n PRO 85 Cb 0.50 -2.47 1.04 0.00 -0.02 0.00 0.00 33.50 32.56 3hx2 n PRO 85 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3hx2 h ALA 86 N 0.36 1.26 -2.30 3.55 0.00 -1.98 -3.44 119.26 116.72 3hx2 h ALA 86 Ca -0.50 -0.01 -0.26 0.00 0.00 0.00 0.00 54.91 54.14 3hx2 h ALA 86 Cb 1.34 -0.00 -0.15 0.00 0.00 0.00 0.00 17.79 18.98 3hx2 h ALA 86 CO 0.52 0.01 -0.66 -1.21 0.00 0.00 0.00 179.25 177.90 3hx2 s GLU 87 N -4.37 1.05 -0.02 0.00 0.41 -1.26 -5.04 118.70 109.47 3hx2 s GLU 87 Ca -0.05 -1.50 0.13 0.00 -0.41 0.00 0.00 54.97 53.14 3hx2 s GLU 87 Cb 0.14 -0.18 -0.19 0.00 -1.78 0.00 0.00 34.13 32.11 3hx2 s GLU 87 CO 0.49 -0.14 0.26 -0.25 -0.49 0.00 0.00 175.26 175.13 3hx2 n ASP 88 N -0.20 2.12 -3.96 -0.19 8.00 -1.26 -4.96 116.55 116.10 3hx2 n ASP 88 Ca -0.07 0.00 -0.16 0.00 0.71 0.00 0.00 54.79 55.27 3hx2 n ASP 88 Cb 0.63 1.52 -0.14 0.00 -0.02 0.00 0.00 41.12 43.10 3hx2 n ASP 88 CO 0.00 0.00 0.00 -1.61 -0.39 0.00 0.00 177.20 175.20 3hx2 s GLU 89 N -2.83 0.41 -0.17 -1.24 2.02 -1.26 -5.00 118.70 110.62 3hx2 s GLU 89 Ca -0.05 -0.21 0.17 0.00 0.02 0.00 0.00 54.97 54.91 3hx2 s GLU 89 Cb 0.08 -0.39 0.46 0.00 0.10 0.00 0.00 34.13 34.38 3hx2 s GLU 89 CO 0.52 0.11 1.35 0.91 0.02 0.00 0.00 175.26 178.17 3hx2 n TRP 90 N 2.89 0.69 -3.25 1.61 7.02 -1.26 -5.08 117.44 120.06 3hx2 n TRP 90 Ca -0.13 -0.96 0.00 0.00 -1.02 0.00 0.00 57.50 55.39 3hx2 n TRP 90 Cb 0.58 -0.28 0.00 0.00 -2.42 0.00 0.00 31.31 29.19 3hx2 n TRP 90 CO 0.00 0.00 0.00 0.41 -2.02 0.00 0.00 177.69 176.08 3hx2 n GLY 91 N -0.80 3.08 3.98 6.99 0.00 -1.26 -3.47 105.19 113.69 3hx2 n GLY 91 Ca 0.21 -0.30 -0.25 0.00 0.00 0.00 0.00 46.02 45.67 3hx2 n GLY 91 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3hx2 s LYS 92 N 0.00 1.35 0.10 1.61 1.02 -1.26 -4.91 119.74 117.65 3hx2 s LYS 92 Ca 0.00 -0.92 -0.26 0.00 0.02 0.00 0.00 55.97 54.81 3hx2 s LYS 92 Cb 0.00 -2.19 -0.12 0.00 -0.52 0.00 0.00 37.83 35.00 3hx2 s LYS 92 CO 0.00 -1.75 1.67 1.15 -0.92 0.00 0.00 175.35 175.51 3hx2 h THR 93 N -0.87 0.63 -0.29 2.17 2.02 -2.00 -2.28 112.91 112.28 3hx2 h THR 93 Ca -0.38 0.00 0.06 0.00 0.77 0.00 0.00 66.41 66.86 3hx2 h THR 93 Cb 1.26 0.63 -0.01 0.00 -1.74 0.00 0.00 68.15 68.28 3hx2 h THR 93 CO 0.39 0.00 0.20 -0.65 0.37 0.00 0.00 175.52 175.84 3hx2 h PRO 94 N -0.37 0.12 0.03 6.66 0.11 -1.95 -0.10 132.00 136.51 3hx2 h PRO 94 Ca 0.00 -0.01 -0.00 0.00 0.11 0.00 0.00 66.00 66.10 3hx2 h PRO 94 Cb 0.35 -0.03 0.00 0.00 0.11 0.00 0.00 31.00 31.43 3hx2 h PRO 94 CO -0.04 0.08 -0.02 -0.44 -0.21 0.00 0.00 178.00 177.38 3hx2 h ASP 95 N 0.13 -0.04 -0.67 -2.05 3.45 -1.78 -2.14 116.42 113.32 3hx2 h ASP 95 Ca 0.13 -0.45 -0.01 0.00 0.43 0.00 0.00 57.03 57.13 3hx2 h ASP 95 Cb 0.37 0.01 -0.03 0.00 -0.56 0.00 0.00 39.33 39.12 3hx2 h ASP 95 CO -0.02 0.44 0.37 0.00 -1.57 0.00 0.00 179.24 178.46 3hx2 h ALA 96 N 0.40 1.36 -0.34 3.45 0.00 -0.96 -1.60 119.26 121.57 3hx2 h ALA 96 Ca -0.00 -0.11 -0.02 0.00 0.00 0.00 0.00 54.91 54.77 3hx2 h ALA 96 Cb 0.49 -0.28 -0.01 0.00 0.00 0.00 0.00 17.79 17.98 3hx2 h ALA 96 CO 0.01 0.52 0.13 1.98 0.00 0.00 0.00 179.25 181.89 3hx2 h MET 97 N 0.96 0.51 -0.74 0.00 -1.53 -1.00 -1.02 114.93 112.12 3hx2 h MET 97 Ca 0.24 -0.10 -0.06 0.00 -3.44 0.00 0.00 59.70 56.35 3hx2 h MET 97 Cb 0.04 -0.08 -0.03 0.00 -0.55 0.00 0.00 31.60 30.97 3hx2 h MET 97 CO -0.04 0.52 0.23 0.87 0.14 0.00 0.00 176.91 178.63 3hx2 h LYS 98 N 0.40 1.14 -0.87 0.39 1.57 -1.06 0.11 116.57 118.25 3hx2 h LYS 98 Ca 0.11 -0.24 -0.01 0.00 -1.87 0.00 0.00 60.65 58.63 3hx2 h LYS 98 Cb 0.20 -0.17 -0.04 0.00 0.08 0.00 0.00 32.23 32.30 3hx2 h LYS 98 CO -0.01 0.97 0.49 0.00 -0.57 0.00 0.00 179.45 180.33 3hx2 h ALA 99 N 1.15 1.21 -0.29 3.86 0.00 -1.02 0.47 119.26 124.63 3hx2 h ALA 99 Ca 0.24 -0.12 -0.14 0.00 0.00 0.00 0.00 54.91 54.88 3hx2 h ALA 99 Cb 0.31 -0.35 -0.00 0.00 0.00 0.00 0.00 17.79 17.74 3hx2 h ALA 99 CO -0.01 0.64 -0.37 0.00 0.00 0.00 0.00 179.25 179.51 3hx2 h ALA 100 N 1.32 0.44 -0.85 0.00 0.00 -0.73 -1.14 119.26 118.30 3hx2 h ALA 100 Ca 0.31 -0.44 -0.02 0.00 0.00 0.00 0.00 54.91 54.76 3hx2 h ALA 100 Cb 0.01 -0.09 -0.04 0.00 0.00 0.00 0.00 17.79 17.68 3hx2 h ALA 100 CO -0.05 0.53 0.47 1.98 0.00 0.00 0.00 179.25 182.17 3hx2 h MET 101 N 0.53 1.18 0.04 0.00 -1.53 -0.62 -1.69 114.93 112.84 3hx2 h MET 101 Ca 0.04 -0.14 -0.00 0.00 -3.44 0.00 0.00 59.70 56.16 3hx2 h MET 101 Cb 0.96 -0.23 0.00 0.00 -0.55 0.00 0.00 31.60 31.78 3hx2 h MET 101 CO 0.09 0.86 -0.02 0.00 0.14 0.00 0.00 176.91 177.98 3hx2 h ALA 102 N 1.25 -0.06 -0.22 0.39 0.00 -0.77 -1.35 119.26 118.50 3hx2 h ALA 102 Ca 0.30 -0.07 0.04 0.00 0.00 0.00 0.00 54.91 55.18 3hx2 h ALA 102 Cb 0.03 0.02 -0.01 0.00 0.00 0.00 0.00 17.79 17.83 3hx2 h ALA 102 CO -0.05 -0.47 0.15 1.25 0.00 0.00 0.00 179.25 180.13 3hx2 h LEU 103 N -0.17 0.10 0.05 0.00 5.85 -0.91 -1.28 115.31 118.95 3hx2 h LEU 103 Ca -0.01 -0.00 -0.21 0.00 0.84 0.00 0.00 57.88 58.50 3hx2 h LEU 103 Cb 0.15 -0.02 0.02 0.00 0.37 0.00 0.00 40.66 41.18 3hx2 h LEU 103 CO 0.01 0.07 -0.85 -0.33 -0.34 0.00 0.00 178.44 177.00 3hx2 h GLU 104 N 0.12 0.48 -0.59 1.25 4.39 -1.01 -2.59 114.58 116.64 3hx2 h GLU 104 Ca 0.10 -0.59 0.04 0.00 0.34 0.00 0.00 59.36 59.25 3hx2 h GLU 104 Cb 0.24 0.18 -0.03 0.00 -0.10 0.00 0.00 28.75 29.04 3hx2 h GLU 104 CO -0.01 1.22 0.39 0.87 -1.16 0.00 0.00 179.01 180.32 3hx2 h LYS 105 N 0.01 0.64 0.38 2.33 1.57 -0.55 0.33 116.57 121.29 3hx2 h LYS 105 Ca -0.12 -0.04 -0.02 0.00 -1.87 0.00 0.00 60.65 58.60 3hx2 h LYS 105 Cb 1.56 -0.14 0.00 0.00 0.08 0.00 0.00 32.23 33.73 3hx2 h LYS 105 CO 0.16 0.42 -0.18 -0.22 -0.57 0.00 0.00 179.45 179.07 3hx2 h LYS 106 N 0.66 -0.49 -0.66 3.15 3.64 -1.23 -1.40 116.57 120.23 3hx2 h LYS 106 Ca 0.24 0.03 -0.02 0.00 -1.27 0.00 0.00 60.65 59.63 3hx2 h LYS 106 Cb 0.12 0.11 -0.03 0.00 -0.41 0.00 0.00 32.23 32.03 3hx2 h LYS 106 CO -0.07 -0.23 0.33 -0.07 -2.27 0.00 0.00 179.45 177.14 3hx2 h LEU 107 N -0.69 0.86 -0.44 5.20 3.38 -1.00 -0.83 115.31 121.78 3hx2 h LEU 107 Ca -0.05 -0.12 0.09 0.00 0.09 0.00 0.00 57.88 57.88 3hx2 h LEU 107 Cb 0.49 -0.22 -0.08 0.00 0.09 0.00 0.00 40.66 40.94 3hx2 h LEU 107 CO 0.09 0.74 -0.06 -1.13 0.09 0.00 0.00 178.44 178.17 3hx2 h ASN 108 N 0.91 -0.30 -0.11 -0.43 -1.24 -0.27 0.12 115.58 114.27 3hx2 h ASN 108 Ca 0.23 0.12 0.00 0.00 0.71 0.00 0.00 56.30 57.36 3hx2 h ASN 108 Cb 0.10 0.23 -0.01 0.00 0.73 0.00 0.00 38.32 39.38 3hx2 h ASN 108 CO -0.03 -0.11 0.07 -0.61 -1.29 0.00 0.00 177.43 175.46 3hx2 h GLN 109 N 0.05 0.14 -0.96 6.67 5.75 -0.70 0.60 115.11 126.67 3hx2 h GLN 109 Ca 0.22 -0.01 0.14 0.00 -0.15 0.00 0.00 58.65 58.84 3hx2 h GLN 109 Cb 0.33 -0.03 -0.08 0.00 1.07 0.00 0.00 27.48 28.76 3hx2 h GLN 109 CO -0.41 0.11 0.61 0.00 -2.65 0.00 0.00 178.83 176.48 3hx2 h ALA 110 N 1.03 1.67 0.01 3.38 0.00 -0.20 0.36 119.26 125.51 3hx2 h ALA 110 Ca 0.04 0.02 -0.00 0.00 0.00 0.00 0.00 54.91 54.97 3hx2 h ALA 110 Cb -0.00 -0.16 0.00 0.00 0.00 0.00 0.00 17.79 17.63 3hx2 h ALA 110 CO -0.01 0.07 -0.00 -0.07 0.00 0.00 0.00 179.25 179.24 3hx2 h LEU 111 N 0.84 -0.01 -1.34 0.00 3.38 0.09 -1.17 115.31 117.10 3hx2 h LEU 111 Ca 0.48 -0.35 0.01 0.00 0.09 0.00 0.00 57.88 58.11 3hx2 h LEU 111 Cb 0.62 0.00 -0.04 0.00 0.09 0.00 0.00 40.66 41.34 3hx2 h LEU 111 CO -0.25 0.35 0.45 -0.07 0.09 0.00 0.00 178.44 179.01 3hx2 h LEU 112 N -0.37 0.76 0.19 1.67 3.38 0.15 0.93 115.31 122.02 3hx2 h LEU 112 Ca -0.00 -0.02 -0.01 0.00 0.09 0.00 0.00 57.88 57.94 3hx2 h LEU 112 Cb 0.36 -0.19 0.00 0.00 0.09 0.00 0.00 40.66 40.93 3hx2 h LEU 112 CO 0.00 0.55 -0.09 0.44 0.09 0.00 0.00 178.44 179.43 3hx2 h ASP 113 N 0.90 -0.21 -0.15 -0.43 3.45 -0.21 -0.77 116.42 119.00 3hx2 h ASP 113 Ca 0.26 -0.09 -0.00 0.00 0.43 0.00 0.00 57.03 57.62 3hx2 h ASP 113 Cb -0.06 0.05 -0.01 0.00 -0.56 0.00 0.00 39.33 38.76 3hx2 h ASP 113 CO -0.06 -0.04 0.09 0.25 -1.57 0.00 0.00 179.24 177.91 3hx2 h LEU 114 N -0.38 0.20 -0.20 1.55 5.85 -0.54 0.49 115.31 122.29 3hx2 h LEU 114 Ca -0.03 -0.01 -0.07 0.00 0.84 0.00 0.00 57.88 58.62 3hx2 h LEU 114 Cb 0.29 -0.05 -0.00 0.00 0.37 0.00 0.00 40.66 41.27 3hx2 h LEU 114 CO 0.04 0.17 -0.14 -0.74 -0.34 0.00 0.00 178.44 177.43 3hx2 h HIS 115 N 0.23 0.52 -0.89 1.25 2.76 -0.42 -0.62 115.15 117.98 3hx2 h HIS 115 Ca 0.06 -0.14 -0.02 0.00 -2.20 0.00 0.00 60.37 58.07 3hx2 h HIS 115 Cb 0.01 -0.12 -0.04 0.00 1.55 0.00 0.00 27.41 28.81 3hx2 h HIS 115 CO 0.00 0.76 0.47 0.00 -1.30 0.00 0.00 177.93 177.87 3hx2 h ALA 116 N 0.68 1.16 -0.81 5.26 0.00 -0.35 -0.35 119.26 124.84 3hx2 h ALA 116 Ca 0.04 -0.14 -0.03 0.00 0.00 0.00 0.00 54.91 54.78 3hx2 h ALA 116 Cb 0.65 -0.35 -0.04 0.00 0.00 0.00 0.00 17.79 18.05 3hx2 h ALA 116 CO 0.04 0.67 0.40 1.25 0.00 0.00 0.00 179.25 181.60 3hx2 h LEU 117 N 1.25 1.05 -0.38 0.00 5.85 -0.77 -1.37 115.31 120.93 3hx2 h LEU 117 Ca 0.31 -0.12 -0.01 0.00 0.84 0.00 0.00 57.88 58.91 3hx2 h LEU 117 Cb 0.05 -0.27 -0.02 0.00 0.37 0.00 0.00 40.66 40.79 3hx2 h LEU 117 CO -0.05 0.87 0.22 1.23 -0.34 0.00 0.00 178.44 180.38 3hx2 h GLY 118 N 1.17 0.57 0.62 3.75 0.00 0.23 -1.80 103.07 107.62 3hx2 h GLY 118 Ca 0.28 -0.25 0.05 0.00 0.00 0.00 0.00 47.33 47.41 3hx2 h GLY 118 CO -0.04 0.24 0.18 1.76 0.00 0.00 0.00 176.54 178.68 3hx2 h SER 119 N 0.50 0.21 -0.15 0.19 0.02 -0.60 -0.41 113.55 113.29 3hx2 h SER 119 Ca 0.14 0.05 0.05 0.00 -0.84 0.00 0.00 61.79 61.18 3hx2 h SER 119 Cb 0.04 0.02 -0.05 0.00 0.14 0.00 0.00 62.40 62.54 3hx2 h SER 119 CO -0.02 0.15 -0.19 0.00 -1.14 0.00 0.00 176.83 175.63 3hx2 h ALA 120 N 1.29 -0.11 -0.12 3.77 0.00 -0.88 -0.73 119.26 122.48 3hx2 h ALA 120 Ca 0.21 0.05 0.00 0.00 0.00 0.00 0.00 54.91 55.18 3hx2 h ALA 120 Cb 0.19 0.38 0.00 0.00 0.00 0.00 0.00 17.79 18.36 3hx2 h ALA 120 CO -0.20 -0.64 0.00 0.54 0.00 0.00 0.00 179.25 178.95 3hx2 n ARG 121 N -5.33 1.29 -3.96 0.00 5.12 -0.71 -4.91 116.66 108.15 3hx2 n ARG 121 Ca -0.02 -0.44 -0.36 0.00 -1.93 0.00 0.00 57.85 55.10 3hx2 n ARG 121 Cb 0.25 -1.10 0.00 0.00 -1.16 0.00 0.00 32.46 30.45 3hx2 n ARG 121 CO 0.00 0.00 0.00 0.25 -1.93 0.00 0.00 177.63 175.95 3hx2 n THR 122 N -0.14 -3.55 -3.65 0.55 -2.24 -0.28 -4.93 114.28 100.04 3hx2 n THR 122 Ca 0.04 -0.69 -0.36 0.00 -2.27 0.00 0.00 64.05 60.77 3hx2 n THR 122 Cb 0.11 -2.84 -0.07 0.00 -2.10 0.00 0.00 70.33 65.43 3hx2 n THR 122 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 3hx2 s ASP 123 N -3.78 5.86 0.43 3.42 -1.08 -0.48 -4.94 116.67 116.10 3hx2 s ASP 123 Ca 0.33 -3.54 0.11 0.00 -0.52 0.00 0.00 52.55 48.94 3hx2 s ASP 123 Cb -0.16 -1.90 0.95 0.00 -1.46 0.00 0.00 42.92 40.36 3hx2 s ASP 123 CO 0.93 -0.23 2.04 1.55 0.52 0.00 0.00 175.17 179.98 3hx2 h PRO 124 N 6.24 0.27 -0.16 4.34 0.13 -1.92 -2.52 132.00 138.39 3hx2 h PRO 124 Ca 0.12 -0.03 -0.01 0.00 -0.87 0.00 0.00 66.00 65.21 3hx2 h PRO 124 Cb 0.84 -0.05 -0.01 0.00 0.13 0.00 0.00 31.00 31.91 3hx2 h PRO 124 CO 0.82 0.26 0.05 1.25 -0.23 0.00 0.00 178.00 180.15 3hx2 h HIS 125 N 0.27 0.25 -0.10 1.56 2.76 -1.97 -0.22 115.15 117.71 3hx2 h HIS 125 Ca 0.07 -0.03 -0.06 0.00 -2.20 0.00 0.00 60.37 58.16 3hx2 h HIS 125 Cb 0.11 -0.07 -0.01 0.00 1.55 0.00 0.00 27.41 28.99 3hx2 h HIS 125 CO 0.00 0.36 -0.20 1.25 -1.30 0.00 0.00 177.93 178.04 3hx2 h LEU 126 N 0.07 0.15 -0.13 0.26 5.85 -1.93 0.46 115.31 120.04 3hx2 h LEU 126 Ca 0.05 -0.04 -0.03 0.00 0.84 0.00 0.00 57.88 58.71 3hx2 h LEU 126 Cb 0.22 -0.04 -0.00 0.00 0.37 0.00 0.00 40.66 41.21 3hx2 h LEU 126 CO -0.00 0.36 -0.03 0.00 -0.34 0.00 0.00 178.44 178.43 3hx2 h ASP 128 N -0.05 0.33 -0.94 0.00 3.58 -0.73 -1.68 116.42 116.94 3hx2 h ASP 128 Ca 0.03 -0.10 0.21 0.00 0.42 0.00 0.00 57.03 57.60 3hx2 h ASP 128 Cb 0.45 -0.09 -0.07 0.00 1.72 0.00 0.00 39.33 41.34 3hx2 h ASP 128 CO 0.01 0.34 0.61 0.15 -2.88 0.00 0.00 179.24 177.47 3hx2 h PHE 129 N 0.31 0.62 0.17 0.28 3.04 -0.87 -0.46 116.94 120.03 3hx2 h PHE 129 Ca 0.09 0.02 -0.31 0.00 3.98 0.00 0.00 57.97 61.75 3hx2 h PHE 129 Cb 0.08 -0.19 0.01 0.00 2.56 0.00 0.00 35.95 38.41 3hx2 h PHE 129 CO -0.03 0.15 -1.46 -0.07 -2.02 0.00 0.00 178.31 174.88 3hx2 h LEU 130 N 0.46 0.57 -0.07 0.59 3.38 -1.09 -2.88 115.31 116.27 3hx2 h LEU 130 Ca 0.50 -0.67 0.00 0.00 0.09 0.00 0.00 57.88 57.80 3hx2 h LEU 130 Cb 1.18 -0.18 -0.00 0.00 0.09 0.00 0.00 40.66 41.74 3hx2 h LEU 130 CO -0.22 1.54 0.05 -0.33 0.09 0.00 0.00 178.44 179.58 3hx2 h GLU 131 N 0.10 0.10 0.33 1.13 5.08 -0.34 0.31 114.58 121.29 3hx2 h GLU 131 Ca -0.23 -0.01 -0.02 0.00 -1.00 0.00 0.00 59.36 58.11 3hx2 h GLU 131 Cb 2.06 -0.02 0.00 0.00 0.50 0.00 0.00 28.75 31.29 3hx2 h GLU 131 CO 0.21 0.07 -0.16 1.15 -1.00 0.00 0.00 179.01 179.28 3hx2 h THR 132 N 0.09 0.66 0.00 1.13 2.02 -1.26 -3.34 112.91 112.22 3hx2 h THR 132 Ca 0.03 -0.53 0.00 0.00 0.77 0.00 0.00 66.41 66.68 3hx2 h THR 132 Cb -0.00 0.92 0.00 0.00 -1.74 0.00 0.00 68.15 67.33 3hx2 h THR 132 CO -0.01 0.10 -1.40 1.41 0.37 0.00 0.00 175.52 175.99 3hx2 n HIS 133 N -5.16 0.08 0.00 3.16 8.25 -1.08 -4.83 115.22 115.64 3hx2 n HIS 133 Ca -0.10 0.02 0.00 0.00 -0.26 0.00 0.00 57.72 57.39 3hx2 n HIS 133 Cb 0.27 -0.32 0.00 0.00 1.12 0.00 0.00 29.99 31.05 3hx2 n HIS 133 CO 0.00 0.00 0.00 1.19 0.64 0.00 0.00 176.34 178.17 3hx2 n PHE 134 N -1.94 0.00 0.18 4.41 3.72 -0.37 -4.70 117.46 118.77 3hx2 n PHE 134 Ca 0.00 0.00 -0.13 0.00 -0.05 0.00 0.00 57.45 57.27 3hx2 n PHE 134 Cb 0.46 0.05 -0.07 0.00 -0.94 0.00 0.00 39.48 38.97 3hx2 n PHE 134 CO 0.00 0.00 0.00 -0.07 -0.05 0.00 0.00 176.76 176.64 3hx2 h LEU 135 N 0.00 -1.05 -1.64 4.37 3.38 -0.57 -2.49 115.31 117.31 3hx2 h LEU 135 Ca 0.00 0.09 -0.03 0.00 0.09 0.00 0.00 57.88 58.03 3hx2 h LEU 135 Cb 0.80 0.36 -0.01 0.00 0.09 0.00 0.00 40.66 41.90 3hx2 h LEU 135 CO 0.00 -0.47 -0.14 -0.78 0.09 0.00 0.00 178.44 177.15 3hx2 h ASP 136 N -0.69 0.05 -0.52 -0.43 -0.00 -1.82 -2.47 116.42 110.54 3hx2 h ASP 136 Ca -0.04 -0.01 -0.07 0.00 -0.00 0.00 0.00 57.03 56.92 3hx2 h ASP 136 Cb 0.62 -0.01 -0.02 0.00 -0.00 0.00 0.00 39.33 39.91 3hx2 h ASP 136 CO -0.08 0.20 0.08 -0.33 -0.00 0.00 0.00 179.24 179.10 3hx2 h GLU 137 N 0.05 0.92 -0.11 0.28 4.39 -1.81 -2.44 114.58 115.87 3hx2 h GLU 137 Ca 0.01 -0.23 -0.06 0.00 0.34 0.00 0.00 59.36 59.42 3hx2 h GLU 137 Cb 0.28 -0.12 -0.00 0.00 -0.10 0.00 0.00 28.75 28.81 3hx2 h GLU 137 CO 0.02 0.86 -0.17 0.93 -1.16 0.00 0.00 179.01 179.50 3hx2 h GLU 138 N 0.87 0.30 -0.40 2.33 4.39 -0.99 -2.28 114.58 118.79 3hx2 h GLU 138 Ca 0.18 -0.18 0.08 0.00 0.34 0.00 0.00 59.36 59.78 3hx2 h GLU 138 Cb 0.40 0.02 -0.08 0.00 -0.10 0.00 0.00 28.75 28.99 3hx2 h GLU 138 CO 0.01 0.76 -0.12 0.28 -1.16 0.00 0.00 179.01 178.78 3hx2 h VAL 139 N -0.12 0.57 -0.85 3.13 2.07 -1.39 0.74 116.25 120.39 3hx2 h VAL 139 Ca 0.01 0.00 -0.03 0.00 0.82 0.00 0.00 66.70 67.50 3hx2 h VAL 139 Cb 0.73 0.57 -0.04 0.00 -1.52 0.00 0.00 31.29 31.03 3hx2 h VAL 139 CO 0.04 0.00 0.41 0.11 0.02 0.00 0.00 177.57 178.15 3hx2 h LYS 140 N -0.02 1.22 -0.32 1.57 1.57 -1.47 -1.61 116.57 117.52 3hx2 h LYS 140 Ca 0.20 -0.18 -0.14 0.00 -1.87 0.00 0.00 60.65 58.65 3hx2 h LYS 140 Cb 0.32 -0.22 -0.01 0.00 0.08 0.00 0.00 32.23 32.40 3hx2 h LYS 140 CO -0.43 0.94 -0.38 1.25 -0.57 0.00 0.00 179.45 180.26 3hx2 h LEU 141 N 1.21 0.80 -0.34 2.94 5.85 -0.74 -2.04 115.31 123.00 3hx2 h LEU 141 Ca 0.29 -0.35 -0.10 0.00 0.84 0.00 0.00 57.88 58.56 3hx2 h LEU 141 Cb 0.12 -0.22 -0.01 0.00 0.37 0.00 0.00 40.66 40.91 3hx2 h LEU 141 CO -0.04 1.09 -0.17 0.40 -0.34 0.00 0.00 178.44 179.38 3hx2 h ILE 142 N 0.62 1.29 -0.77 4.05 2.04 -0.65 -1.24 117.51 122.84 3hx2 h ILE 142 Ca 0.06 -1.29 0.00 0.00 1.00 0.00 0.00 64.86 64.62 3hx2 h ILE 142 Cb 0.92 1.41 -0.04 0.00 -0.74 0.00 0.00 36.82 38.37 3hx2 h ILE 142 CO 0.08 0.42 0.49 0.50 0.00 0.00 0.00 178.15 179.65 3hx2 h LYS 143 N 0.48 1.03 -0.12 2.37 1.63 -1.26 0.13 116.57 120.84 3hx2 h LYS 143 Ca 0.07 -0.08 -0.01 0.00 -0.85 0.00 0.00 60.65 59.79 3hx2 h LYS 143 Cb 0.71 -0.23 -0.00 0.00 -0.60 0.00 0.00 32.23 32.11 3hx2 h LYS 143 CO 0.05 0.70 0.03 -0.22 -3.45 0.00 0.00 179.45 176.56 3hx2 h LYS 144 N 1.06 0.19 -0.61 1.90 3.64 -1.07 -2.01 116.57 119.66 3hx2 h LYS 144 Ca 0.28 -0.04 -0.07 0.00 -1.27 0.00 0.00 60.65 59.55 3hx2 h LYS 144 Cb -0.08 -0.03 -0.02 0.00 -0.41 0.00 0.00 32.23 31.69 3hx2 h LYS 144 CO -0.06 0.35 0.13 0.52 -2.27 0.00 0.00 179.45 178.12 3hx2 h MET 145 N -0.01 1.00 -0.41 1.90 2.86 -0.75 -2.21 114.93 117.32 3hx2 h MET 145 Ca 0.04 -0.25 0.01 0.00 -2.06 0.00 0.00 59.70 57.44 3hx2 h MET 145 Cb 0.25 -0.12 -0.02 0.00 0.06 0.00 0.00 31.60 31.76 3hx2 h MET 145 CO 0.00 0.92 0.27 0.78 1.06 0.00 0.00 176.91 179.94 3hx2 h GLY 146 N 0.91 0.55 1.37 8.32 0.00 -0.66 -0.69 103.07 112.87 3hx2 h GLY 146 Ca 0.19 -0.20 -0.17 0.00 0.00 0.00 0.00 47.33 47.15 3hx2 h GLY 146 CO 0.01 0.19 -0.57 -0.55 0.00 0.00 0.00 176.54 175.61 3hx2 h ASP 147 N 0.52 0.74 -0.35 0.19 3.32 -0.92 -2.37 116.42 117.54 3hx2 h ASP 147 Ca 0.15 -0.40 -0.14 0.00 0.02 0.00 0.00 57.03 56.66 3hx2 h ASP 147 Cb -0.01 -0.21 -0.01 0.00 0.22 0.00 0.00 39.33 39.32 3hx2 h ASP 147 CO -0.04 1.15 -0.32 0.45 -1.72 0.00 0.00 179.24 178.77 3hx2 h HIS 148 N 0.50 1.04 -0.13 4.55 3.86 -0.69 -2.17 115.15 122.10 3hx2 h HIS 148 Ca 0.00 -0.28 -0.00 0.00 -1.16 0.00 0.00 60.37 58.93 3hx2 h HIS 148 Cb 1.14 -0.23 -0.01 0.00 1.06 0.00 0.00 27.41 29.38 3hx2 h HIS 148 CO 0.06 1.08 0.07 -0.07 0.86 0.00 0.00 177.93 179.92 3hx2 h LEU 149 N 0.74 0.17 -1.50 2.43 3.38 -1.13 0.27 115.31 119.67 3hx2 h LEU 149 Ca 0.08 -0.11 0.08 0.00 0.09 0.00 0.00 57.88 58.02 3hx2 h LEU 149 Cb 0.88 -0.04 -0.04 0.00 0.09 0.00 0.00 40.66 41.55 3hx2 h LEU 149 CO 0.08 0.23 0.44 0.74 0.09 0.00 0.00 178.44 180.02 3hx2 h THR 150 N 0.10 0.96 0.10 0.22 2.02 -1.33 0.48 112.91 115.46 3hx2 h THR 150 Ca 0.05 -0.20 -0.17 0.00 0.77 0.00 0.00 66.41 66.86 3hx2 h THR 150 Cb 0.10 0.32 0.02 0.00 -1.74 0.00 0.00 68.15 66.85 3hx2 h THR 150 CO -0.01 0.11 -0.71 0.78 0.37 0.00 0.00 175.52 176.06 3hx2 h ASN 151 N 0.58 0.45 -0.51 4.18 2.35 -0.93 -2.73 115.58 118.98 3hx2 h ASN 151 Ca 0.30 -0.91 -0.00 0.00 -0.55 0.00 0.00 56.30 55.14 3hx2 h ASN 151 Cb 0.40 -0.14 -0.03 0.00 0.05 0.00 0.00 38.32 38.60 3hx2 h ASN 151 CO -0.10 1.32 0.32 -0.07 -1.65 0.00 0.00 177.43 177.26 3hx2 h LEU 152 N -0.35 0.62 -0.83 1.61 3.38 0.04 -0.07 115.31 119.71 3hx2 h LEU 152 Ca -0.12 -0.03 -0.12 0.00 0.09 0.00 0.00 57.88 57.70 3hx2 h LEU 152 Cb 1.52 -0.16 -0.01 0.00 0.09 0.00 0.00 40.66 42.10 3hx2 h LEU 152 CO 0.13 0.47 -0.50 -0.74 0.09 0.00 0.00 178.44 177.90 3hx2 h HIS 153 N 0.72 0.25 0.00 1.13 2.76 -0.99 -2.89 115.15 116.13 3hx2 h HIS 153 Ca 0.19 -0.08 -0.07 0.00 -2.20 0.00 0.00 60.37 58.21 3hx2 h HIS 153 Cb -0.04 -0.05 -0.01 0.00 1.55 0.00 0.00 27.41 28.86 3hx2 h HIS 153 CO 0.00 0.67 -0.32 -0.09 -1.30 0.00 0.00 177.93 176.89 3hx2 h ARG 154 N 0.16 0.00 -1.59 5.26 2.43 -0.71 -3.23 114.38 116.70 3hx2 h ARG 154 Ca 0.01 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.18 3hx2 h ARG 154 Cb 0.94 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.49 3hx2 h ARG 154 CO 0.08 0.32 0.00 1.28 -1.51 0.00 0.00 179.97 180.13 3hx2 n LEU 155 N -3.62 4.27 0.00 3.80 4.77 -0.69 -4.27 117.00 121.27 3hx2 n LEU 155 Ca -0.01 -1.99 0.00 0.00 -0.03 0.00 0.00 56.01 53.99 3hx2 n LEU 155 Cb 0.44 -0.85 0.00 0.00 -2.33 0.00 0.00 43.42 40.68 3hx2 n LEU 155 CO 0.35 0.78 0.00 0.61 -1.33 0.00 0.00 177.39 177.80 3hx2 n GLY 156 N 1.09 -0.26 0.33 -0.72 0.00 -1.22 -5.08 105.19 99.32 3hx2 n GLY 156 Ca 0.00 0.00 0.04 0.00 0.00 0.00 0.00 46.02 46.06 3hx2 n GLY 156 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93