#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 2.50 0.12 7.83 0.15 -1.26 -5.07 113.70 117.97 3hx2 s SER 2 Ca 0.00 1.04 0.10 0.00 0.70 0.00 0.00 55.95 57.79 3hx2 s SER 2 Cb 0.00 -1.63 -0.04 0.00 -1.71 0.00 0.00 66.02 62.65 3hx2 s SER 2 CO 0.00 -3.19 -0.25 -0.94 1.20 0.00 0.00 173.24 170.06 3hx2 s SER 3 N -3.64 3.11 0.00 5.45 1.04 -1.26 -5.08 113.70 113.32 3hx2 s SER 3 Ca 0.66 -0.72 0.00 0.00 0.48 0.00 0.00 55.95 56.37 3hx2 s SER 3 Cb -0.17 -0.20 0.00 0.00 0.10 0.00 0.00 66.02 65.75 3hx2 s SER 3 CO 0.57 0.15 0.10 0.00 0.98 0.00 0.00 173.24 175.04 3hx2 n GLN 4 N 1.02 0.00 0.00 4.02 6.02 -1.26 -1.19 117.38 125.99 3hx2 n GLN 4 Ca -0.18 0.10 0.00 0.00 -0.01 0.00 0.00 57.00 56.91 3hx2 n GLN 4 Cb 0.53 -0.26 0.00 0.00 1.02 0.00 0.00 30.24 31.53 3hx2 n GLN 4 CO 0.00 0.00 0.00 0.44 -1.01 0.00 0.00 177.06 176.49 3hx2 n ILE 5 N -0.40 1.48 -1.84 5.09 -5.35 -1.26 -4.82 119.36 112.25 3hx2 n ILE 5 Ca 0.00 0.37 -0.42 0.00 -0.27 0.00 0.00 62.75 62.44 3hx2 n ILE 5 Cb 0.00 -1.37 -0.02 0.00 -1.74 0.00 0.00 39.64 36.50 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 -2.74 4.17 -0.30 6.28 3.52 -0.34 -4.77 118.95 124.78 3hx2 s ARG 6 Ca 0.00 2.49 -0.04 0.00 -0.13 0.00 0.00 55.73 58.05 3hx2 s ARG 6 Cb 0.00 -3.08 0.19 0.00 -1.56 0.00 0.00 34.95 30.50 3hx2 s ARG 6 CO 0.00 -0.62 0.71 -1.14 -0.81 0.00 0.00 175.30 173.44 3hx2 s GLN 7 N 0.31 0.48 -0.80 5.12 0.74 -1.26 -4.94 119.66 119.31 3hx2 s GLN 7 Ca 0.67 0.85 -0.01 0.00 0.05 0.00 0.00 55.36 56.93 3hx2 s GLN 7 Cb -0.46 0.48 0.00 0.00 1.10 0.00 0.00 33.01 34.12 3hx2 s GLN 7 CO 0.39 -0.51 0.08 -1.71 -0.55 0.00 0.00 175.29 173.00 3hx2 n ASN 8 N 5.44 -3.41 -3.99 6.67 5.15 -1.26 -5.00 115.26 118.85 3hx2 n ASN 8 Ca -0.03 -0.04 -0.31 0.00 -0.60 0.00 0.00 54.58 53.60 3hx2 n ASN 8 Cb 0.52 -2.57 -0.14 0.00 -0.53 0.00 0.00 39.78 37.06 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 -2.58 3.43 0.38 1.20 5.04 -1.26 -4.81 117.35 118.74 3hx2 s TYR 9 Ca 0.04 -3.05 -0.26 0.00 -2.44 0.00 0.00 57.07 51.36 3hx2 s TYR 9 Cb -0.02 -2.90 -0.11 0.00 0.35 0.00 0.00 41.96 39.27 3hx2 s TYR 9 CO 0.05 -0.83 1.11 -1.13 -1.34 0.00 0.00 175.55 173.41 3hx2 n SER 10 N 3.61 1.79 0.22 4.32 3.41 -1.26 -4.87 113.62 120.84 3hx2 n SER 10 Ca 0.05 1.11 0.16 0.00 -0.26 0.00 0.00 58.87 59.92 3hx2 n SER 10 Cb 0.36 -1.39 0.67 0.00 -0.26 0.00 0.00 64.21 63.59 3hx2 n SER 10 CO 0.00 0.00 0.00 0.71 -0.16 0.00 0.00 175.04 175.59 3hx2 h THR 11 N 1.92 0.00 0.00 6.66 1.35 -1.99 -1.87 112.91 118.98 3hx2 h THR 11 Ca -0.44 -0.32 -0.00 0.00 -0.55 0.00 0.00 66.41 65.10 3hx2 h THR 11 Cb 1.32 1.18 0.00 0.00 -1.73 0.00 0.00 68.15 68.92 3hx2 h THR 11 CO 0.59 0.00 -0.00 0.44 -0.25 0.00 0.00 175.52 176.30 3hx2 h ASP 12 N 0.00 -0.00 -0.25 5.36 3.45 -1.99 -2.62 116.42 120.36 3hx2 h ASP 12 Ca 0.00 -0.60 -0.07 0.00 0.43 0.00 0.00 57.03 56.79 3hx2 h ASP 12 Cb 0.36 0.00 -0.02 0.00 -0.56 0.00 0.00 39.33 39.11 3hx2 h ASP 12 CO 0.00 0.60 -0.08 0.58 -1.57 0.00 0.00 179.24 178.77 3hx2 h VAL 13 N -0.60 1.24 -0.68 -1.35 2.07 -1.86 -0.54 116.25 114.51 3hx2 h VAL 13 Ca -0.00 -1.02 -0.02 0.00 0.82 0.00 0.00 66.70 66.48 3hx2 h VAL 13 Cb 0.60 1.04 -0.03 0.00 -1.52 0.00 0.00 31.29 31.37 3hx2 h VAL 13 CO 0.00 0.34 0.35 -0.08 0.02 0.00 0.00 177.57 178.21 3hx2 h GLU 14 N 0.58 0.96 0.00 1.57 4.81 -1.37 -0.57 114.58 120.56 3hx2 h GLU 14 Ca 0.11 -0.11 -0.18 0.00 -0.13 0.00 0.00 59.36 59.05 3hx2 h GLU 14 Cb 0.48 -0.19 -0.03 0.00 0.63 0.00 0.00 28.75 29.65 3hx2 h GLU 14 CO 0.03 0.72 -0.84 0.00 -0.73 0.00 0.00 179.01 178.18 3hx2 h ALA 15 N 1.43 0.48 0.00 2.92 0.00 -1.06 -2.78 119.26 120.24 3hx2 h ALA 15 Ca 0.24 -0.77 -0.05 0.00 0.00 0.00 0.00 54.91 54.34 3hx2 h ALA 15 Cb 0.06 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 17.71 3hx2 h ALA 15 CO -0.04 1.05 -0.22 0.00 0.00 0.00 0.00 179.25 180.05 3hx2 h ALA 16 N 1.16 0.89 0.05 0.00 0.00 -0.44 -2.55 119.26 118.37 3hx2 h ALA 16 Ca -0.01 -0.20 -0.09 0.00 0.00 0.00 0.00 54.91 54.61 3hx2 h ALA 16 Cb 1.62 -0.04 0.01 0.00 0.00 0.00 0.00 17.79 19.38 3hx2 h ALA 16 CO 0.11 0.28 -0.37 0.28 0.00 0.00 0.00 179.25 179.54 3hx2 h VAL 17 N 0.00 1.62 -0.04 0.00 2.07 -1.12 -1.65 116.25 117.14 3hx2 h VAL 17 Ca -0.00 -2.31 0.01 0.00 0.82 0.00 0.00 66.70 65.22 3hx2 h VAL 17 Cb 1.04 3.15 -0.00 0.00 -1.52 0.00 0.00 31.29 33.96 3hx2 h VAL 17 CO 0.03 0.63 0.04 0.78 0.02 0.00 0.00 177.57 179.07 3hx2 h ASN 18 N -0.63 0.00 -0.00 0.57 2.35 -1.49 0.50 115.58 116.87 3hx2 h ASN 18 Ca -0.06 0.00 -0.05 0.00 -0.55 0.00 0.00 56.30 55.63 3hx2 h ASN 18 Cb 1.24 0.00 0.00 0.00 0.05 0.00 0.00 38.32 39.62 3hx2 h ASN 18 CO 0.07 0.00 -0.21 -1.28 -1.65 0.00 0.00 177.43 174.36 3hx2 h SER 19 N 0.00 0.19 0.49 5.81 0.87 -1.41 -2.97 113.55 116.53 3hx2 h SER 19 Ca 0.02 -0.78 -0.02 0.00 -1.23 0.00 0.00 61.79 59.78 3hx2 h SER 19 Cb 0.10 -0.06 -0.00 0.00 -0.44 0.00 0.00 62.40 62.00 3hx2 h SER 19 CO -0.00 0.94 -0.10 0.25 -0.53 0.00 0.00 176.83 177.40 3hx2 h LEU 20 N -0.54 0.00 -0.13 2.23 5.85 -0.20 -2.02 115.31 120.49 3hx2 h LEU 20 Ca -0.03 0.00 -0.09 0.00 0.84 0.00 0.00 57.88 58.60 3hx2 h LEU 20 Cb 0.97 0.00 0.00 0.00 0.37 0.00 0.00 40.66 42.00 3hx2 h LEU 20 CO 0.04 0.10 -0.28 0.58 -0.34 0.00 0.00 178.44 178.54 3hx2 h VAL 21 N 0.00 1.37 0.00 1.05 2.07 -0.97 -1.80 116.25 117.97 3hx2 h VAL 21 Ca -0.00 -1.55 -0.01 0.00 0.82 0.00 0.00 66.70 65.96 3hx2 h VAL 21 Cb 0.37 2.03 -0.00 0.00 -1.52 0.00 0.00 31.29 32.17 3hx2 h VAL 21 CO 0.01 0.46 -0.05 -1.13 0.02 0.00 0.00 177.57 176.88 3hx2 h ASN 22 N 0.03 0.00 0.49 0.57 -0.73 -1.27 -0.36 115.58 114.32 3hx2 h ASN 22 Ca 0.00 0.00 -0.24 0.00 1.87 0.00 0.00 56.30 57.94 3hx2 h ASN 22 Cb 0.87 0.00 0.00 0.00 0.27 0.00 0.00 38.32 39.46 3hx2 h ASN 22 CO 0.06 0.05 -1.04 0.25 -0.37 0.00 0.00 177.43 176.38 3hx2 h LEU 23 N 0.00 0.44 -0.08 0.34 5.85 -1.15 -2.47 115.31 118.23 3hx2 h LEU 23 Ca -0.00 -0.39 -0.23 0.00 0.84 0.00 0.00 57.88 58.10 3hx2 h LEU 23 Cb 0.45 -0.14 -0.01 0.00 0.37 0.00 0.00 40.66 41.34 3hx2 h LEU 23 CO 0.01 1.23 -1.03 1.88 -0.34 0.00 0.00 178.44 180.19 3hx2 h TYR 24 N 0.15 0.32 -0.71 1.25 -1.99 -0.62 -1.04 116.97 114.34 3hx2 h TYR 24 Ca -0.09 -0.21 -0.03 0.00 2.00 0.00 0.00 58.73 60.40 3hx2 h TYR 24 Cb 1.71 -0.02 -0.03 0.00 2.00 0.00 0.00 36.73 40.38 3hx2 h TYR 24 CO 0.06 1.09 0.34 -0.07 -0.00 0.00 0.00 178.16 179.57 3hx2 h LEU 25 N 0.08 0.91 0.46 3.88 3.38 -1.10 -0.69 115.31 122.24 3hx2 h LEU 25 Ca -0.07 -0.10 -0.02 0.00 0.09 0.00 0.00 57.88 57.78 3hx2 h LEU 25 Cb 1.72 -0.23 0.00 0.00 0.09 0.00 0.00 40.66 42.24 3hx2 h LEU 25 CO 0.16 0.77 -0.22 -0.61 0.09 0.00 0.00 178.44 178.63 3hx2 h GLN 26 N 1.00 -0.59 -0.03 1.13 4.15 -1.38 -1.76 115.11 117.63 3hx2 h GLN 26 Ca 0.24 0.04 0.01 0.00 0.77 0.00 0.00 58.65 59.71 3hx2 h GLN 26 Cb 0.11 0.13 -0.00 0.00 0.21 0.00 0.00 27.48 27.93 3hx2 h GLN 26 CO -0.03 -0.30 0.04 0.00 -1.93 0.00 0.00 178.83 176.61 3hx2 h ALA 27 N -0.41 1.53 0.09 3.38 0.00 -0.95 -1.60 119.26 121.30 3hx2 h ALA 27 Ca -0.06 -0.00 -0.00 0.00 0.00 0.00 0.00 54.91 54.84 3hx2 h ALA 27 Cb 0.56 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.36 3hx2 h ALA 27 CO 0.10 -0.06 -0.04 1.03 0.00 0.00 0.00 179.25 180.28 3hx2 h SER 28 N 0.00 -0.11 -0.87 0.00 0.87 -0.86 -2.73 113.55 109.85 3hx2 h SER 28 Ca 0.02 -0.48 0.14 0.00 -1.23 0.00 0.00 61.79 60.23 3hx2 h SER 28 Cb 0.10 0.03 -0.09 0.00 -0.44 0.00 0.00 62.40 62.00 3hx2 h SER 28 CO -0.00 0.50 0.48 0.22 -0.53 0.00 0.00 176.83 177.49 3hx2 h TYR 29 N -0.79 0.85 0.20 2.24 3.20 -0.58 -0.76 116.97 121.34 3hx2 h TYR 29 Ca -0.01 0.03 -0.01 0.00 3.14 0.00 0.00 58.73 61.88 3hx2 h TYR 29 Cb 0.58 -0.25 0.00 0.00 1.54 0.00 0.00 36.73 38.60 3hx2 h TYR 29 CO 0.12 0.25 -0.10 1.15 -1.64 0.00 0.00 178.16 177.94 3hx2 h THR 30 N 0.71 0.82 0.00 1.81 2.02 -1.35 -2.23 112.91 114.70 3hx2 h THR 30 Ca 0.46 -0.11 -0.01 0.00 0.77 0.00 0.00 66.41 67.53 3hx2 h THR 30 Cb 0.60 0.89 -0.00 0.00 -1.74 0.00 0.00 68.15 67.90 3hx2 h THR 30 CO -0.33 0.03 -0.03 1.88 0.37 0.00 0.00 175.52 177.43 3hx2 h TYR 31 N -0.32 0.00 0.42 3.16 0.05 -1.03 -0.62 116.97 118.63 3hx2 h TYR 31 Ca -0.03 0.00 -0.02 0.00 0.05 0.00 0.00 58.73 58.73 3hx2 h TYR 31 Cb 0.25 0.00 0.00 0.00 1.01 0.00 0.00 36.73 37.99 3hx2 h TYR 31 CO -0.05 0.03 -0.20 1.25 -1.05 0.00 0.00 178.16 178.15 3hx2 h LEU 32 N 0.00 -0.47 -0.55 3.88 5.85 -0.66 -1.47 115.31 121.88 3hx2 h LEU 32 Ca -0.00 -0.10 0.11 0.00 0.84 0.00 0.00 57.88 58.73 3hx2 h LEU 32 Cb 0.17 0.12 -0.09 0.00 0.37 0.00 0.00 40.66 41.23 3hx2 h LEU 32 CO 0.00 -0.05 0.04 -1.28 -0.34 0.00 0.00 178.44 176.81 3hx2 h SER 33 N -1.01 -0.15 -0.78 1.25 0.87 -0.98 0.09 113.55 112.84 3hx2 h SER 33 Ca -0.06 0.12 0.02 0.00 -1.23 0.00 0.00 61.79 60.64 3hx2 h SER 33 Cb 0.54 0.20 -0.04 0.00 -0.44 0.00 0.00 62.40 62.66 3hx2 h SER 33 CO 0.09 -0.05 0.51 -0.07 -0.53 0.00 0.00 176.83 176.79 3hx2 h LEU 34 N 0.16 0.87 -0.29 2.23 3.38 -1.14 -1.01 115.31 119.52 3hx2 h LEU 34 Ca 0.28 -0.02 -0.10 0.00 0.09 0.00 0.00 57.88 58.13 3hx2 h LEU 34 Cb 0.43 -0.21 -0.01 0.00 0.09 0.00 0.00 40.66 40.96 3hx2 h LEU 34 CO -0.43 0.62 -0.22 1.23 0.09 0.00 0.00 178.44 179.73 3hx2 h GLY 35 N 1.02 0.72 2.00 0.83 0.00 0.10 -3.00 103.07 104.74 3hx2 h GLY 35 Ca 0.29 -0.70 0.00 0.00 0.00 0.00 0.00 47.33 46.93 3hx2 h GLY 35 CO -0.07 0.63 0.00 0.74 0.00 0.00 0.00 176.54 177.84 3hx2 h PHE 36 N 0.40 0.00 -0.11 5.60 -1.00 -1.07 -3.13 116.94 117.63 3hx2 h PHE 36 Ca 0.05 0.00 -0.04 0.00 2.81 0.00 0.00 57.97 60.80 3hx2 h PHE 36 Cb 0.77 0.00 -0.00 0.00 3.61 0.00 0.00 35.95 40.33 3hx2 h PHE 36 CO 0.07 0.00 -0.08 -0.92 -1.61 0.00 0.00 178.31 175.77 3hx2 h TYR 37 N 0.00 0.29 0.00 -0.55 3.20 -1.10 -2.66 116.97 116.16 3hx2 h TYR 37 Ca 0.00 -0.08 0.00 0.00 3.14 0.00 0.00 58.73 61.79 3hx2 h TYR 37 Cb 0.75 -0.06 0.00 0.00 1.54 0.00 0.00 36.73 38.96 3hx2 h TYR 37 CO 0.00 0.64 0.00 1.19 -1.64 0.00 0.00 178.16 178.35 3hx2 n PHE 38 N -4.67 0.00 1.01 -3.82 3.72 -1.14 -1.87 117.46 110.69 3hx2 n PHE 38 Ca -0.07 0.00 0.11 0.00 -0.05 0.00 0.00 57.45 57.44 3hx2 n PHE 38 Cb 0.31 0.00 -0.03 0.00 -0.94 0.00 0.00 39.48 38.82 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 -0.95 1.55 -4.77 4.37 -0.08 -1.01 -0.84 116.55 114.82 3hx2 n ASP 39 Ca 0.14 -1.25 -0.40 0.00 -1.51 0.00 0.00 54.79 51.77 3hx2 n ASP 39 Cb 0.06 0.66 0.01 0.00 2.34 0.00 0.00 41.12 44.20 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 -2.70 3.73 0.56 -0.67 0.52 -0.78 -4.71 118.95 114.90 3hx2 s ARG 40 Ca 0.14 2.32 0.29 0.00 -0.52 0.00 0.00 55.73 57.96 3hx2 s ARG 40 Cb 0.17 -2.65 1.67 0.00 0.52 0.00 0.00 34.95 34.66 3hx2 s ARG 40 CO 0.69 -0.75 2.18 0.38 0.02 0.00 0.00 175.30 177.82 3hx2 h ASP 41 N 2.36 0.00 -0.21 0.23 2.03 -1.92 0.76 116.42 119.67 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 1.26 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 39.76 3hx2 h ASP 41 CO 0.61 0.05 0.00 -0.90 -1.03 0.00 0.00 179.24 177.97 3hx2 n ASP 42 N -3.76 1.74 0.00 4.15 3.85 -1.26 -4.18 116.55 117.09 3hx2 n ASP 42 Ca -0.02 -1.78 0.00 0.00 -0.71 0.00 0.00 54.79 52.28 3hx2 n ASP 42 Cb 0.15 -0.14 0.00 0.00 -1.35 0.00 0.00 41.12 39.78 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 0.39 0.00 -3.80 2.12 0.31 -0.29 -5.08 118.33 111.98 3hx2 n VAL 43 Ca 0.15 0.00 -0.30 0.00 -0.01 0.00 0.00 64.34 64.18 3hx2 n VAL 43 Cb 0.33 -1.21 0.01 0.00 -0.91 0.00 0.00 33.84 32.06 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 -2.84 -2.41 -3.70 3.52 0.00 0.25 -4.94 120.51 110.39 3hx2 n ALA 44 Ca 0.00 -0.36 -0.28 0.00 0.00 0.00 0.00 53.44 52.80 3hx2 n ALA 44 Cb 0.40 -1.32 -0.11 0.00 0.00 0.00 0.00 19.45 18.42 3hx2 n ALA 44 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 3hx2 n LEU 45 N -3.30 2.10 -0.06 0.00 4.77 -0.02 -4.98 117.00 115.51 3hx2 n LEU 45 Ca -0.18 -5.00 -0.07 0.00 -0.03 0.00 0.00 56.01 50.72 3hx2 n LEU 45 Cb 0.52 -0.36 -0.01 0.00 -2.33 0.00 0.00 43.42 41.23 3hx2 n LEU 45 CO 0.57 1.82 0.74 -0.08 -1.33 0.00 0.00 177.39 179.11 3hx2 h GLU 46 N 5.28 -0.15 -0.66 3.23 4.81 -1.93 0.84 114.58 126.00 3hx2 h GLU 46 Ca 0.18 0.01 0.13 0.00 -0.13 0.00 0.00 59.36 59.55 3hx2 h GLU 46 Cb 0.79 0.03 -0.09 0.00 0.63 0.00 0.00 28.75 30.11 3hx2 h GLU 46 CO 0.63 -0.10 0.17 0.78 -0.73 0.00 0.00 179.01 179.77 3hx2 h GLY 47 N -0.16 0.90 0.87 1.92 0.00 -1.94 0.26 103.07 104.92 3hx2 h GLY 47 Ca 0.14 -0.06 -0.04 0.00 0.00 0.00 0.00 47.33 47.38 3hx2 h GLY 47 CO -0.36 -0.13 0.02 -2.08 0.00 0.00 0.00 176.54 173.99 3hx2 h VAL 48 N 0.30 1.25 -0.97 4.60 2.07 -1.79 -2.19 116.25 119.52 3hx2 h VAL 48 Ca 0.36 -0.87 0.07 0.00 0.82 0.00 0.00 66.70 67.07 3hx2 h VAL 48 Cb 0.55 1.28 -0.07 0.00 -1.52 0.00 0.00 31.29 31.53 3hx2 h VAL 48 CO -0.43 0.28 0.62 -1.28 0.02 0.00 0.00 177.57 176.78 3hx2 h SER 49 N 0.28 0.98 0.06 0.57 0.87 0.59 -1.80 113.55 115.09 3hx2 h SER 49 Ca 0.08 0.01 -0.00 0.00 -1.23 0.00 0.00 61.79 60.65 3hx2 h SER 49 Cb 0.39 -0.20 0.00 0.00 -0.44 0.00 0.00 62.40 62.16 3hx2 h SER 49 CO 0.01 0.62 -0.03 -0.74 -0.53 0.00 0.00 176.83 176.16 3hx2 h HIS 50 N 1.12 -0.08 -0.42 2.24 6.17 -0.35 -2.34 115.15 121.48 3hx2 h HIS 50 Ca 0.42 -0.00 0.09 0.00 0.71 0.00 0.00 60.37 61.59 3hx2 h HIS 50 Cb 0.18 0.02 -0.09 0.00 2.52 0.00 0.00 27.41 30.04 3hx2 h HIS 50 CO -0.01 0.14 -0.24 0.35 0.71 0.00 0.00 177.93 178.88 3hx2 h PHE 51 N -0.28 -0.62 0.00 5.26 3.57 -0.85 -0.07 116.94 123.95 3hx2 h PHE 51 Ca -0.01 0.05 0.00 0.00 3.53 0.00 0.00 57.97 61.54 3hx2 h PHE 51 Cb 0.25 0.34 0.00 0.00 2.79 0.00 0.00 35.95 39.33 3hx2 h PHE 51 CO -0.01 -0.31 0.00 0.74 -2.23 0.00 0.00 178.31 176.50 3hx2 h PHE 52 N -0.16 0.00 0.06 0.41 0.05 -1.30 -2.45 116.94 113.56 3hx2 h PHE 52 Ca 0.20 0.00 -0.26 0.00 3.82 0.00 0.00 57.97 61.73 3hx2 h PHE 52 Cb 0.47 0.00 -0.02 0.00 2.00 0.00 0.00 35.95 38.40 3hx2 h PHE 52 CO -0.48 0.00 -1.26 0.00 -0.18 0.00 0.00 178.31 176.40 3hx2 h ARG 53 N 0.00 0.13 -0.45 1.51 3.08 -0.51 -2.44 114.38 115.70 3hx2 h ARG 53 Ca 0.00 -0.23 -0.07 0.00 0.07 0.00 0.00 59.98 59.75 3hx2 h ARG 53 Cb 0.46 0.09 -0.02 0.00 0.08 0.00 0.00 29.97 30.58 3hx2 h ARG 53 CO 0.00 1.04 0.02 0.93 -1.07 0.00 0.00 179.97 180.89 3hx2 h GLU 54 N 0.04 0.78 -0.03 0.04 5.08 -0.81 -2.17 114.58 117.51 3hx2 h GLU 54 Ca -0.12 -0.24 -0.08 0.00 -1.00 0.00 0.00 59.36 57.92 3hx2 h GLU 54 Cb 1.91 -0.08 -0.01 0.00 0.50 0.00 0.00 28.75 31.07 3hx2 h GLU 54 CO 0.15 0.83 -0.35 -0.07 -1.00 0.00 0.00 179.01 178.58 3hx2 h LEU 55 N 0.64 0.05 -1.37 1.33 3.38 -1.50 0.64 115.31 118.48 3hx2 h LEU 55 Ca 0.13 -0.02 -0.06 0.00 0.09 0.00 0.00 57.88 58.02 3hx2 h LEU 55 Cb 0.46 -0.01 -0.01 0.00 0.09 0.00 0.00 40.66 41.19 3hx2 h LEU 55 CO 0.02 0.40 -0.30 0.00 0.09 0.00 0.00 178.44 178.65 3hx2 h ALA 56 N 1.60 1.30 0.19 1.53 0.00 -0.99 -1.83 119.26 121.07 3hx2 h ALA 56 Ca 0.00 -0.28 -0.33 0.00 0.00 0.00 0.00 54.91 54.31 3hx2 h ALA 56 Cb 0.64 -0.05 0.02 0.00 0.00 0.00 0.00 17.79 18.40 3hx2 h ALA 56 CO 0.05 0.38 -1.54 1.49 0.00 0.00 0.00 179.25 179.63 3hx2 h GLU 57 N 0.00 0.41 0.00 0.00 4.57 -0.61 -2.86 114.58 116.09 3hx2 h GLU 57 Ca -0.00 -0.70 -0.05 0.00 -1.18 0.00 0.00 59.36 57.42 3hx2 h GLU 57 Cb 0.61 0.26 -0.01 0.00 -0.16 0.00 0.00 28.75 29.45 3hx2 h GLU 57 CO 0.04 1.32 -0.26 0.93 -1.18 0.00 0.00 179.01 179.86 3hx2 h GLU 58 N 0.11 0.00 0.00 1.92 5.08 -0.74 0.41 114.58 121.36 3hx2 h GLU 58 Ca -0.26 0.00 -0.07 0.00 -1.00 0.00 0.00 59.36 58.02 3hx2 h GLU 58 Cb 2.10 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 31.34 3hx2 h GLU 58 CO 0.22 0.26 -0.34 0.87 -1.00 0.00 0.00 179.01 179.01 3hx2 h LYS 59 N 0.00 0.00 -0.18 2.33 1.79 -1.38 -1.10 116.57 118.02 3hx2 h LYS 59 Ca -0.00 0.00 -0.20 0.00 -2.18 0.00 0.00 60.65 58.26 3hx2 h LYS 59 Cb 0.49 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.15 3hx2 h LYS 59 CO 0.03 0.34 -0.70 -0.09 -1.08 0.00 0.00 179.45 177.96 3hx2 h ARG 60 N 0.00 0.75 -0.12 3.15 2.43 -0.76 -2.18 114.38 117.66 3hx2 h ARG 60 Ca -0.00 -0.57 -0.01 0.00 -0.81 0.00 0.00 59.98 58.59 3hx2 h ARG 60 Cb 1.23 0.10 -0.01 0.00 -0.42 0.00 0.00 29.97 30.88 3hx2 h ARG 60 CO 0.04 1.18 0.04 0.93 -1.51 0.00 0.00 179.97 180.66 3hx2 h GLU 61 N 0.54 0.18 -0.23 0.20 5.08 -0.89 -2.26 114.58 117.19 3hx2 h GLU 61 Ca -0.03 -0.03 0.05 0.00 -1.00 0.00 0.00 59.36 58.35 3hx2 h GLU 61 Cb 1.31 -0.03 -0.05 0.00 0.50 0.00 0.00 28.75 30.48 3hx2 h GLU 61 CO 0.14 0.29 -0.09 0.78 -1.00 0.00 0.00 179.01 179.14 3hx2 h GLY 62 N 0.03 0.12 2.00 -3.84 0.00 -1.13 0.88 103.07 101.13 3hx2 h GLY 62 Ca 0.04 0.11 0.00 0.00 0.00 0.00 0.00 47.33 47.48 3hx2 h GLY 62 CO -0.00 -0.12 0.00 0.10 0.00 0.00 0.00 176.54 176.52 3hx2 h TYR 63 N -0.05 0.00 0.17 5.60 -0.00 -1.37 -1.85 116.97 119.47 3hx2 h TYR 63 Ca 0.12 0.00 -0.30 0.00 0.00 0.00 0.00 58.73 58.55 3hx2 h TYR 63 Cb 0.23 0.00 0.02 0.00 0.00 0.00 0.00 36.73 36.98 3hx2 h TYR 63 CO -0.27 0.00 -1.31 0.93 -0.00 0.00 0.00 178.16 177.51 3hx2 h GLU 64 N 0.00 0.42 -0.01 0.10 5.08 -0.74 -2.62 114.58 116.82 3hx2 h GLU 64 Ca 0.00 -0.67 -0.10 0.00 -1.00 0.00 0.00 59.36 57.59 3hx2 h GLU 64 Cb 0.58 0.24 -0.01 0.00 0.50 0.00 0.00 28.75 30.07 3hx2 h GLU 64 CO 0.00 1.31 -0.47 -0.09 -1.00 0.00 0.00 179.01 178.77 3hx2 h ARG 65 N 0.13 0.01 0.06 2.33 2.43 -0.37 -1.37 114.38 117.60 3hx2 h ARG 65 Ca -0.18 -0.01 -0.00 0.00 -0.81 0.00 0.00 59.98 58.98 3hx2 h ARG 65 Cb 2.02 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 31.57 3hx2 h ARG 65 CO 0.23 0.48 -0.03 -0.07 -1.51 0.00 0.00 179.97 179.07 3hx2 h LEU 66 N 0.01 -0.06 -2.13 3.80 3.38 -1.35 -2.45 115.31 116.51 3hx2 h LEU 66 Ca -0.00 -0.40 -0.00 0.00 0.09 0.00 0.00 57.88 57.56 3hx2 h LEU 66 Cb 0.83 0.02 -0.00 0.00 0.09 0.00 0.00 40.66 41.60 3hx2 h LEU 66 CO 0.06 0.38 -0.01 -0.07 0.09 0.00 0.00 178.44 178.89 3hx2 h LEU 67 N -0.52 0.00 0.52 1.67 3.38 -1.29 0.11 115.31 119.17 3hx2 h LEU 67 Ca -0.01 0.00 -0.03 0.00 0.09 0.00 0.00 57.88 57.94 3hx2 h LEU 67 Cb 0.46 0.00 0.01 0.00 0.09 0.00 0.00 40.66 41.21 3hx2 h LEU 67 CO 0.01 0.01 -0.25 0.50 0.09 0.00 0.00 178.44 178.80 3hx2 h LYS 68 N 0.00 -0.67 -0.45 1.13 1.63 -1.12 -2.84 116.57 114.26 3hx2 h LYS 68 Ca -0.00 0.05 0.04 0.00 -0.85 0.00 0.00 60.65 59.89 3hx2 h LYS 68 Cb 0.01 0.15 -0.02 0.00 -0.60 0.00 0.00 32.23 31.77 3hx2 h LYS 68 CO 0.00 -0.36 0.30 1.98 -3.45 0.00 0.00 179.45 177.92 3hx2 h MET 69 N -0.96 0.42 -0.60 1.90 4.05 -0.90 -0.62 114.93 118.21 3hx2 h MET 69 Ca -0.07 -0.03 0.05 0.00 -0.28 0.00 0.00 59.70 59.38 3hx2 h MET 69 Cb 0.61 -0.10 -0.05 0.00 -0.80 0.00 0.00 31.60 31.27 3hx2 h MET 69 CO 0.12 0.28 0.32 0.37 0.23 0.00 0.00 176.91 178.23 3hx2 h GLN 70 N 0.43 0.59 -0.15 0.39 5.75 -0.70 -2.29 115.11 119.13 3hx2 h GLN 70 Ca 0.19 -0.04 -0.20 0.00 -0.15 0.00 0.00 58.65 58.45 3hx2 h GLN 70 Cb 0.21 -0.13 0.00 0.00 1.07 0.00 0.00 27.48 28.63 3hx2 h GLN 70 CO -0.05 0.39 -0.72 -0.91 -2.65 0.00 0.00 178.83 174.90 3hx2 h ASN 71 N 0.61 0.79 0.21 -0.69 4.21 -0.91 -1.66 115.58 118.14 3hx2 h ASN 71 Ca 0.27 -0.50 0.00 0.00 1.21 0.00 0.00 56.30 57.28 3hx2 h ASN 71 Cb 0.16 -0.23 0.00 0.00 -1.12 0.00 0.00 38.32 37.13 3hx2 h ASN 71 CO -0.17 1.28 0.00 1.56 -1.29 0.00 0.00 177.43 178.80 3hx2 h GLN 72 N 0.47 0.00 -0.02 0.81 4.20 -0.78 -1.69 115.11 118.11 3hx2 h GLN 72 Ca -0.03 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.68 3hx2 h GLN 72 Cb 1.32 0.00 0.00 0.00 0.30 0.00 0.00 27.48 29.10 3hx2 h GLN 72 CO 0.14 0.00 -0.22 0.54 -0.67 0.00 0.00 178.83 178.62 3hx2 n ARG 73 N -2.53 1.58 0.00 1.46 5.12 -0.91 -4.96 116.66 116.42 3hx2 n ARG 73 Ca -0.01 -1.16 0.00 0.00 -1.93 0.00 0.00 57.85 54.74 3hx2 n ARG 73 Cb 0.10 -1.34 0.00 0.00 -1.16 0.00 0.00 32.46 30.06 3hx2 n ARG 73 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 3hx2 n GLY 74 N 1.15 1.99 3.73 -0.13 0.00 -0.64 -4.21 105.19 107.08 3hx2 n GLY 74 Ca 0.09 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.79 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 -2.02 1.85 -0.10 -0.02 0.00 -0.63 -4.83 107.32 101.56 3hx2 s GLY 75 Ca 0.00 0.52 0.01 0.00 0.00 0.00 0.00 44.72 45.25 3hx2 s GLY 75 CO 0.00 0.90 -0.13 0.50 0.00 0.00 0.00 173.10 174.38 3hx2 s ARG 76 N -4.55 3.05 0.17 2.90 1.81 -1.26 -4.16 118.95 116.90 3hx2 s ARG 76 Ca 0.66 -0.67 -0.30 0.00 -1.72 0.00 0.00 55.73 53.70 3hx2 s ARG 76 Cb -0.22 -2.55 -0.07 0.00 -0.45 0.00 0.00 34.95 31.66 3hx2 s ARG 76 CO 0.53 0.39 1.12 0.00 -0.68 0.00 0.00 175.30 176.66 3hx2 s ALA 77 N -0.11 3.38 -0.08 2.13 0.00 -1.26 -4.97 121.76 120.86 3hx2 s ALA 77 Ca -0.01 0.83 0.02 0.00 0.00 0.00 0.00 51.96 52.80 3hx2 s ALA 77 Cb -0.14 -3.37 0.01 0.00 0.00 0.00 0.00 23.12 19.63 3hx2 s ALA 77 CO 0.03 -0.25 -0.13 -0.51 0.00 0.00 0.00 175.76 174.91 3hx2 s LEU 78 N -0.25 1.63 -0.12 0.00 1.43 -1.26 -5.14 118.68 114.97 3hx2 s LEU 78 Ca 0.50 -0.32 -0.03 0.00 -1.03 0.00 0.00 54.13 53.26 3hx2 s LEU 78 Cb -0.30 -0.88 -0.03 0.00 0.03 0.00 0.00 46.19 45.01 3hx2 s LEU 78 CO 0.35 0.02 -0.02 -0.36 0.23 0.00 0.00 176.35 176.57 3hx2 s PHE 79 N 0.78 3.07 0.32 0.29 0.08 -1.26 -4.89 117.98 116.36 3hx2 s PHE 79 Ca -0.12 -0.05 0.09 0.00 0.12 0.00 0.00 56.93 56.96 3hx2 s PHE 79 Cb -0.16 -1.87 -0.04 0.00 -0.57 0.00 0.00 43.02 40.38 3hx2 s PHE 79 CO 0.02 0.21 0.08 -0.65 -0.10 0.00 0.00 175.22 174.79 3hx2 s GLN 80 N -0.26 2.30 0.27 0.44 -1.52 -1.26 -5.09 119.66 114.54 3hx2 s GLN 80 Ca 0.05 -1.56 -0.30 0.00 -1.95 0.00 0.00 55.36 51.60 3hx2 s GLN 80 Cb -0.13 -2.12 -0.13 0.00 -0.22 0.00 0.00 33.01 30.41 3hx2 s GLN 80 CO 0.02 0.18 1.33 -0.25 -0.25 0.00 0.00 175.29 176.32 3hx2 n ASP 81 N -1.05 2.56 -4.62 5.90 10.43 -1.26 -4.94 116.55 123.58 3hx2 n ASP 81 Ca -0.04 1.16 -0.40 0.00 2.57 0.00 0.00 54.79 58.08 3hx2 n ASP 81 Cb 0.61 -1.42 -0.07 0.00 1.84 0.00 0.00 41.12 42.08 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 -0.45 5.03 0.16 0.53 1.01 -1.26 -5.03 121.20 121.19 3hx2 s ILE 82 Ca 0.64 0.94 -0.30 0.00 0.00 0.00 0.00 60.65 61.92 3hx2 s ILE 82 Cb -0.64 -3.87 -0.08 0.00 0.01 0.00 0.00 42.46 37.87 3hx2 s ILE 82 CO 0.54 0.04 1.32 -0.75 0.00 0.00 0.00 174.94 176.10 3hx2 s LYS 83 N 2.39 4.37 0.73 2.79 2.20 -1.26 -5.00 119.74 125.97 3hx2 s LYS 83 Ca 0.23 2.03 -0.15 0.00 -0.36 0.00 0.00 55.97 57.72 3hx2 s LYS 83 Cb -0.16 -3.22 0.04 0.00 -1.51 0.00 0.00 37.83 32.98 3hx2 s LYS 83 CO 0.09 -0.30 1.21 -1.59 -0.36 0.00 0.00 175.35 174.40 3hx2 s LYS 84 N 0.32 2.13 0.75 4.03 -2.85 -1.26 -4.86 119.74 118.01 3hx2 s LYS 84 Ca 0.59 1.76 -0.15 0.00 -1.00 0.00 0.00 55.97 57.17 3hx2 s LYS 84 Cb -0.36 -1.83 0.04 0.00 -2.06 0.00 0.00 37.83 33.62 3hx2 s LYS 84 CO 0.35 -1.84 1.14 -2.30 0.10 0.00 0.00 175.35 172.81 3hx2 n PRO 85 N -2.72 0.48 -0.15 1.78 -0.02 -1.26 -4.92 135.00 128.18 3hx2 n PRO 85 Ca 0.13 0.23 0.11 0.00 -2.02 0.00 0.00 63.50 61.95 3hx2 n PRO 85 Cb 0.50 -2.39 0.44 0.00 -0.02 0.00 0.00 33.50 32.03 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 -0.41 1.91 -1.50 3.55 0.00 -1.98 -3.44 119.26 117.39 3hx2 h ALA 86 Ca -0.48 -0.01 -0.58 0.00 0.00 0.00 0.00 54.91 53.85 3hx2 h ALA 86 Cb 1.32 -0.12 -0.13 0.00 0.00 0.00 0.00 17.79 18.86 3hx2 h ALA 86 CO 0.48 -0.07 -0.57 -1.21 0.00 0.00 0.00 179.25 177.88 3hx2 s GLU 87 N -5.52 1.90 -0.01 0.00 0.41 -1.26 -5.04 118.70 109.18 3hx2 s GLU 87 Ca -0.09 -2.12 0.05 0.00 -0.41 0.00 0.00 54.97 52.40 3hx2 s GLU 87 Cb 0.20 -1.17 -0.07 0.00 -1.78 0.00 0.00 34.13 31.31 3hx2 s GLU 87 CO 0.76 -0.24 0.09 -0.25 -0.49 0.00 0.00 175.26 175.13 3hx2 n ASP 88 N -1.00 3.91 -3.94 -0.19 8.00 -1.26 -4.97 116.55 117.09 3hx2 n ASP 88 Ca -0.07 0.00 -0.22 0.00 0.71 0.00 0.00 54.79 55.21 3hx2 n ASP 88 Cb 0.66 1.12 -0.16 0.00 -0.02 0.00 0.00 41.12 42.72 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 -2.29 1.21 -0.37 -1.24 2.02 -1.26 -5.00 118.70 111.76 3hx2 s GLU 89 Ca -0.02 -0.23 0.08 0.00 0.02 0.00 0.00 54.97 54.82 3hx2 s GLU 89 Cb 0.03 -1.10 0.71 0.00 0.10 0.00 0.00 34.13 33.87 3hx2 s GLU 89 CO 0.19 -0.05 1.84 0.91 0.02 0.00 0.00 175.26 178.18 3hx2 n TRP 90 N 4.01 2.66 -3.76 1.61 7.02 -1.26 -5.05 117.44 122.66 3hx2 n TRP 90 Ca -0.23 -1.47 0.00 0.00 -1.02 0.00 0.00 57.50 54.78 3hx2 n TRP 90 Cb 0.51 -0.79 0.00 0.00 -2.42 0.00 0.00 31.31 28.62 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 -0.58 2.10 3.95 6.99 0.00 -1.26 -3.41 105.19 112.98 3hx2 n GLY 91 Ca 0.48 -0.42 -0.27 0.00 0.00 0.00 0.00 46.02 45.81 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 1.13 0.11 1.61 1.02 -1.26 -4.87 119.74 117.47 3hx2 s LYS 92 Ca 0.00 -0.66 -0.25 0.00 0.02 0.00 0.00 55.97 55.08 3hx2 s LYS 92 Cb 0.00 -2.04 -0.08 0.00 -0.52 0.00 0.00 37.83 35.19 3hx2 s LYS 92 CO 0.00 -1.98 1.67 1.15 -0.92 0.00 0.00 175.35 175.26 3hx2 h THR 93 N -1.17 0.58 -0.04 2.17 2.02 -2.01 -2.00 112.91 112.46 3hx2 h THR 93 Ca -0.41 0.00 0.01 0.00 0.77 0.00 0.00 66.41 66.78 3hx2 h THR 93 Cb 1.25 0.58 -0.00 0.00 -1.74 0.00 0.00 68.15 68.24 3hx2 h THR 93 CO 0.40 0.00 0.03 -0.65 0.37 0.00 0.00 175.52 175.68 3hx2 h PRO 94 N -0.32 0.00 -0.80 6.66 0.11 -1.94 -0.20 132.00 135.51 3hx2 h PRO 94 Ca 0.04 0.00 -0.04 0.00 0.11 0.00 0.00 66.00 66.11 3hx2 h PRO 94 Cb 0.37 0.00 -0.04 0.00 0.11 0.00 0.00 31.00 31.44 3hx2 h PRO 94 CO -0.13 0.00 0.34 -0.44 -0.21 0.00 0.00 178.00 177.55 3hx2 h ASP 95 N 0.00 1.08 0.05 -2.05 3.32 -1.64 -1.54 116.42 115.64 3hx2 h ASP 95 Ca 0.02 -0.16 -0.13 0.00 0.02 0.00 0.00 57.03 56.78 3hx2 h ASP 95 Cb 0.08 -0.28 0.01 0.00 0.22 0.00 0.00 39.33 39.37 3hx2 h ASP 95 CO -0.00 0.95 -0.54 0.00 -1.72 0.00 0.00 179.24 177.93 3hx2 h ALA 96 N 1.18 0.00 -0.60 3.45 0.00 -0.78 -2.91 119.26 119.60 3hx2 h ALA 96 Ca 0.27 -0.58 0.10 0.00 0.00 0.00 0.00 54.91 54.70 3hx2 h ALA 96 Cb 0.19 0.05 -0.04 0.00 0.00 0.00 0.00 17.79 17.99 3hx2 h ALA 96 CO -0.03 0.27 0.40 1.98 0.00 0.00 0.00 179.25 181.87 3hx2 h MET 97 N -0.37 0.40 -0.24 0.00 1.85 -1.03 0.12 114.93 115.66 3hx2 h MET 97 Ca -0.08 -0.02 -0.16 0.00 -0.61 0.00 0.00 59.70 58.82 3hx2 h MET 97 Cb 1.32 -0.09 0.00 0.00 0.43 0.00 0.00 31.60 33.27 3hx2 h MET 97 CO 0.10 0.26 -0.49 0.87 -0.40 0.00 0.00 176.91 177.25 3hx2 h LYS 98 N 0.41 0.76 -0.11 0.39 1.57 -1.34 -1.82 116.57 116.43 3hx2 h LYS 98 Ca 0.28 -0.49 -0.05 0.00 -1.87 0.00 0.00 60.65 58.51 3hx2 h LYS 98 Cb 0.55 0.06 -0.01 0.00 0.08 0.00 0.00 32.23 32.91 3hx2 h LYS 98 CO -0.08 1.12 -0.18 0.00 -0.57 0.00 0.00 179.45 179.74 3hx2 h ALA 99 N 0.63 1.49 0.15 3.86 0.00 -0.91 -1.99 119.26 122.50 3hx2 h ALA 99 Ca 0.01 -0.23 -0.01 0.00 0.00 0.00 0.00 54.91 54.68 3hx2 h ALA 99 Cb 1.10 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.82 3hx2 h ALA 99 CO 0.11 0.36 -0.07 0.00 0.00 0.00 0.00 179.25 179.65 3hx2 h ALA 100 N 1.65 -0.20 -0.09 0.00 0.00 -0.70 -2.49 119.26 117.43 3hx2 h ALA 100 Ca 0.03 -0.22 0.03 0.00 0.00 0.00 0.00 54.91 54.75 3hx2 h ALA 100 Cb 0.43 0.08 -0.00 0.00 0.00 0.00 0.00 17.79 18.29 3hx2 h ALA 100 CO 0.03 -0.36 0.07 1.98 0.00 0.00 0.00 179.25 180.97 3hx2 h MET 101 N -0.70 0.00 -0.18 0.00 -1.53 -1.16 0.01 114.93 111.36 3hx2 h MET 101 Ca -0.02 0.00 -0.10 0.00 -3.44 0.00 0.00 59.70 56.14 3hx2 h MET 101 Cb 0.51 0.00 -0.00 0.00 -0.55 0.00 0.00 31.60 31.56 3hx2 h MET 101 CO 0.03 0.00 -0.28 0.00 0.14 0.00 0.00 176.91 176.81 3hx2 h ALA 102 N 1.94 0.28 -0.84 0.39 0.00 -1.33 -1.49 119.26 118.22 3hx2 h ALA 102 Ca 0.04 -0.40 -0.03 0.00 0.00 0.00 0.00 54.91 54.52 3hx2 h ALA 102 Cb 0.19 -0.05 -0.04 0.00 0.00 0.00 0.00 17.79 17.89 3hx2 h ALA 102 CO -0.00 0.28 0.40 1.25 0.00 0.00 0.00 179.25 181.18 3hx2 h LEU 103 N 0.17 1.11 -0.28 0.00 5.85 -0.69 -0.79 115.31 120.67 3hx2 h LEU 103 Ca 0.02 -0.14 -0.05 0.00 0.84 0.00 0.00 57.88 58.54 3hx2 h LEU 103 Cb 0.85 -0.29 -0.01 0.00 0.37 0.00 0.00 40.66 41.59 3hx2 h LEU 103 CO 0.06 0.94 -0.04 -0.33 -0.34 0.00 0.00 178.44 178.74 3hx2 h GLU 104 N 1.20 0.52 -0.06 1.25 4.39 -0.98 -1.53 114.58 119.37 3hx2 h GLU 104 Ca 0.29 -0.19 -0.03 0.00 0.34 0.00 0.00 59.36 59.77 3hx2 h GLU 104 Cb 0.13 -0.04 -0.01 0.00 -0.10 0.00 0.00 28.75 28.74 3hx2 h GLU 104 CO -0.03 0.71 -0.12 0.87 -1.16 0.00 0.00 179.01 179.27 3hx2 h LYS 105 N 0.29 0.09 -0.45 2.33 1.57 -1.08 0.33 116.57 119.66 3hx2 h LYS 105 Ca 0.08 -0.02 -0.10 0.00 -1.87 0.00 0.00 60.65 58.74 3hx2 h LYS 105 Cb 0.49 -0.02 -0.01 0.00 0.08 0.00 0.00 32.23 32.77 3hx2 h LYS 105 CO 0.02 0.22 -0.11 -0.22 -0.57 0.00 0.00 179.45 178.79 3hx2 h LYS 106 N 0.09 0.86 -0.02 3.15 3.64 -0.76 -1.73 116.57 121.81 3hx2 h LYS 106 Ca 0.02 -0.33 -0.03 0.00 -1.27 0.00 0.00 60.65 59.03 3hx2 h LYS 106 Cb 0.27 -0.05 0.00 0.00 -0.41 0.00 0.00 32.23 32.04 3hx2 h LYS 106 CO 0.02 0.97 -0.12 -0.07 -2.27 0.00 0.00 179.45 177.98 3hx2 h LEU 107 N 0.70 0.14 -1.60 5.20 3.38 -0.63 -2.48 115.31 120.02 3hx2 h LEU 107 Ca 0.11 -0.69 0.25 0.00 0.09 0.00 0.00 57.88 57.64 3hx2 h LEU 107 Cb 0.65 -0.04 -0.07 0.00 0.09 0.00 0.00 40.66 41.29 3hx2 h LEU 107 CO 0.04 0.81 0.66 -1.13 0.09 0.00 0.00 178.44 178.92 3hx2 h ASN 108 N -0.52 0.30 0.14 -0.43 -1.24 -0.33 0.15 115.58 113.65 3hx2 h ASN 108 Ca -0.01 0.04 -0.01 0.00 0.71 0.00 0.00 56.30 57.04 3hx2 h ASN 108 Cb 0.81 -0.01 0.00 0.00 0.73 0.00 0.00 38.32 39.86 3hx2 h ASN 108 CO 0.02 0.09 -0.07 -0.61 -1.29 0.00 0.00 177.43 175.58 3hx2 h GLN 109 N 0.28 -0.18 -0.53 6.67 5.75 -1.28 -1.73 115.11 124.10 3hx2 h GLN 109 Ca 0.52 0.01 0.15 0.00 -0.15 0.00 0.00 58.65 59.18 3hx2 h GLN 109 Cb 1.52 0.04 -0.02 0.00 1.07 0.00 0.00 27.48 30.09 3hx2 h GLN 109 CO -0.17 0.28 0.39 0.00 -2.65 0.00 0.00 178.83 176.68 3hx2 h ALA 110 N -0.05 2.47 0.08 3.38 0.00 -0.38 0.18 119.26 124.93 3hx2 h ALA 110 Ca -0.02 -0.02 -0.00 0.00 0.00 0.00 0.00 54.91 54.87 3hx2 h ALA 110 Cb 0.53 0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.36 3hx2 h ALA 110 CO 0.03 -0.67 -0.04 -0.07 0.00 0.00 0.00 179.25 178.50 3hx2 h LEU 111 N 0.00 -0.09 -2.16 0.00 3.38 -0.74 -1.88 115.31 113.83 3hx2 h LEU 111 Ca 0.25 -0.50 0.03 0.00 0.09 0.00 0.00 57.88 57.75 3hx2 h LEU 111 Cb 1.04 0.02 -0.00 0.00 0.09 0.00 0.00 40.66 41.81 3hx2 h LEU 111 CO -0.00 0.52 0.08 -0.07 0.09 0.00 0.00 178.44 179.05 3hx2 h LEU 112 N -0.77 0.00 -0.25 1.67 3.38 -0.21 0.75 115.31 119.88 3hx2 h LEU 112 Ca -0.01 0.00 -0.21 0.00 0.09 0.00 0.00 57.88 57.75 3hx2 h LEU 112 Cb 0.59 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.34 3hx2 h LEU 112 CO 0.02 0.00 -0.83 0.44 0.09 0.00 0.00 178.44 178.16 3hx2 h ASP 113 N 0.00 0.62 1.02 -0.43 3.45 -0.68 -1.74 116.42 118.66 3hx2 h ASP 113 Ca 0.04 -0.44 -0.13 0.00 0.43 0.00 0.00 57.03 56.94 3hx2 h ASP 113 Cb 0.19 -0.18 -0.02 0.00 -0.56 0.00 0.00 39.33 38.76 3hx2 h ASP 113 CO -0.00 1.22 -0.60 0.25 -1.57 0.00 0.00 179.24 178.54 3hx2 h LEU 114 N 0.32 0.00 0.00 1.55 5.85 -0.18 -2.09 115.31 120.76 3hx2 h LEU 114 Ca -0.06 0.00 -0.13 0.00 0.84 0.00 0.00 57.88 58.53 3hx2 h LEU 114 Cb 1.44 0.00 -0.02 0.00 0.37 0.00 0.00 40.66 42.46 3hx2 h LEU 114 CO 0.15 0.60 -0.65 -0.74 -0.34 0.00 0.00 178.44 177.46 3hx2 h HIS 115 N 0.00 0.00 -0.09 1.25 2.76 -0.88 -1.46 115.15 116.73 3hx2 h HIS 115 Ca -0.01 0.00 -0.08 0.00 -2.20 0.00 0.00 60.37 58.08 3hx2 h HIS 115 Cb 1.27 0.00 0.00 0.00 1.55 0.00 0.00 27.41 30.23 3hx2 h HIS 115 CO 0.00 0.61 -0.27 0.00 -1.30 0.00 0.00 177.93 176.97 3hx2 h ALA 116 N 1.39 0.15 0.00 5.26 0.00 -1.22 -1.96 119.26 122.88 3hx2 h ALA 116 Ca -0.01 -0.41 -0.05 0.00 0.00 0.00 0.00 54.91 54.44 3hx2 h ALA 116 Cb 1.48 -0.02 -0.01 0.00 0.00 0.00 0.00 17.79 19.24 3hx2 h ALA 116 CO 0.08 0.16 -0.24 1.25 0.00 0.00 0.00 179.25 180.50 3hx2 h LEU 117 N -0.12 0.00 -0.61 0.00 5.85 -1.40 -1.85 115.31 117.18 3hx2 h LEU 117 Ca -0.01 0.00 -0.12 0.00 0.84 0.00 0.00 57.88 58.59 3hx2 h LEU 117 Cb 0.88 0.00 -0.01 0.00 0.37 0.00 0.00 40.66 41.90 3hx2 h LEU 117 CO 0.06 0.24 -0.19 1.23 -0.34 0.00 0.00 178.44 179.43 3hx2 h GLY 118 N 0.72 0.97 1.93 3.75 0.00 -1.07 -1.99 103.07 107.39 3hx2 h GLY 118 Ca -0.00 -0.82 -0.13 0.00 0.00 0.00 0.00 47.33 46.38 3hx2 h GLY 118 CO 0.03 0.75 -0.58 1.76 0.00 0.00 0.00 176.54 178.50 3hx2 h SER 119 N 0.78 0.08 -0.18 0.19 0.02 -0.71 -1.31 113.55 112.43 3hx2 h SER 119 Ca 0.11 -0.04 -0.03 0.00 -0.84 0.00 0.00 61.79 60.98 3hx2 h SER 119 Cb 0.74 -0.02 -0.01 0.00 0.14 0.00 0.00 62.40 63.25 3hx2 h SER 119 CO 0.06 0.64 -0.02 0.00 -1.14 0.00 0.00 176.83 176.37 3hx2 h ALA 120 N 1.36 0.24 -0.24 3.77 0.00 -1.07 -2.77 119.26 120.55 3hx2 h ALA 120 Ca -0.00 -0.22 0.00 0.00 0.00 0.00 0.00 54.91 54.68 3hx2 h ALA 120 Cb 1.04 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.77 3hx2 h ALA 120 CO 0.08 -0.02 0.00 0.54 0.00 0.00 0.00 179.25 179.85 3hx2 n ARG 121 N -4.69 2.54 -3.42 0.00 5.12 -0.77 -4.94 116.66 110.50 3hx2 n ARG 121 Ca -0.05 -1.27 -0.19 0.00 -1.93 0.00 0.00 57.85 54.41 3hx2 n ARG 121 Cb 0.25 -1.78 0.00 0.00 -1.16 0.00 0.00 32.46 29.76 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 0.26 -2.42 -3.73 0.55 -2.24 -1.03 -4.92 114.28 100.74 3hx2 n THR 122 Ca 0.11 -0.00 -0.28 0.00 -2.27 0.00 0.00 64.05 61.61 3hx2 n THR 122 Cb 0.62 -2.16 -0.11 0.00 -2.10 0.00 0.00 70.33 66.58 3hx2 n THR 122 CO 0.00 0.00 0.00 -0.67 -0.57 0.00 0.00 175.07 173.83 3hx2 n ASP 123 N -1.67 2.06 0.21 3.42 -0.08 -0.52 -4.97 116.55 115.00 3hx2 n ASP 123 Ca -0.23 -2.99 0.14 0.00 -1.51 0.00 0.00 54.79 50.21 3hx2 n ASP 123 Cb 0.52 -0.70 0.74 0.00 2.34 0.00 0.00 41.12 44.02 3hx2 n ASP 123 CO 0.00 0.00 0.00 1.55 0.12 0.00 0.00 177.20 178.87 3hx2 h PRO 124 N 5.38 0.00 -0.04 -0.67 0.13 -1.92 -2.74 132.00 132.15 3hx2 h PRO 124 Ca 0.18 0.00 -0.05 0.00 -0.87 0.00 0.00 66.00 65.26 3hx2 h PRO 124 Cb 0.79 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.92 3hx2 h PRO 124 CO 0.62 0.00 -0.18 1.25 -0.23 0.00 0.00 178.00 179.46 3hx2 h HIS 125 N 0.00 0.26 -0.31 1.56 2.76 -1.96 -2.25 115.15 115.21 3hx2 h HIS 125 Ca 0.00 -0.11 0.00 0.00 -2.20 0.00 0.00 60.37 58.06 3hx2 h HIS 125 Cb 0.07 -0.04 -0.02 0.00 1.55 0.00 0.00 27.41 28.97 3hx2 h HIS 125 CO 0.00 0.82 0.21 1.25 -1.30 0.00 0.00 177.93 178.91 3hx2 h LEU 126 N -0.37 0.36 -1.11 0.26 5.85 -1.90 -0.18 115.31 118.22 3hx2 h LEU 126 Ca -0.01 -0.01 0.08 0.00 0.84 0.00 0.00 57.88 58.78 3hx2 h LEU 126 Cb 0.84 -0.09 -0.07 0.00 0.37 0.00 0.00 40.66 41.71 3hx2 h LEU 126 CO 0.04 0.26 0.61 0.00 -0.34 0.00 0.00 178.44 179.01 3hx2 h ASP 128 N 1.03 0.07 -0.74 0.00 3.58 -0.91 -1.78 116.42 117.66 3hx2 h ASP 128 Ca 0.42 -0.06 -0.01 0.00 0.42 0.00 0.00 57.03 57.80 3hx2 h ASP 128 Cb 0.27 -0.02 -0.04 0.00 1.72 0.00 0.00 39.33 41.27 3hx2 h ASP 128 CO -0.17 0.89 0.42 0.15 -2.88 0.00 0.00 179.24 177.64 3hx2 h PHE 129 N 0.03 1.01 0.15 0.28 -0.00 0.04 -0.92 116.94 117.53 3hx2 h PHE 129 Ca -0.02 -0.02 -0.31 0.00 -0.00 0.00 0.00 57.97 57.62 3hx2 h PHE 129 Cb 1.50 -0.32 0.03 0.00 -0.00 0.00 0.00 35.95 37.16 3hx2 h PHE 129 CO 0.01 0.70 -1.30 -0.07 -0.00 0.00 0.00 178.31 177.65 3hx2 h LEU 130 N 1.02 0.85 -1.71 0.59 3.38 -1.34 -2.53 115.31 115.58 3hx2 h LEU 130 Ca 0.26 -0.82 -0.03 0.00 0.09 0.00 0.00 57.88 57.38 3hx2 h LEU 130 Cb 0.02 -0.27 -0.00 0.00 0.09 0.00 0.00 40.66 40.49 3hx2 h LEU 130 CO -0.04 1.62 -0.15 -0.33 0.09 0.00 0.00 178.44 179.63 3hx2 h GLU 131 N 0.24 0.00 0.12 1.13 5.08 -1.15 -0.40 114.58 119.60 3hx2 h GLU 131 Ca -0.20 0.00 -0.36 0.00 -1.00 0.00 0.00 59.36 57.80 3hx2 h GLU 131 Cb 1.98 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 31.21 3hx2 h GLU 131 CO 0.25 0.15 -1.94 2.41 -1.00 0.00 0.00 179.01 178.88 3hx2 n THR 132 N -4.32 1.77 0.46 1.13 -1.04 -0.37 -4.36 114.28 107.56 3hx2 n THR 132 Ca -0.03 -0.62 0.05 0.00 -2.04 0.00 0.00 64.05 61.42 3hx2 n THR 132 Cb 0.22 -1.76 -0.00 0.00 -1.82 0.00 0.00 70.33 66.97 3hx2 n THR 132 CO 0.00 0.00 0.00 1.41 -0.64 0.00 0.00 175.07 175.84 3hx2 n HIS 133 N -3.55 0.00 0.04 -1.42 8.25 -0.95 -4.86 115.22 112.72 3hx2 n HIS 133 Ca -0.32 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.14 3hx2 n HIS 133 Cb 1.02 0.00 0.00 0.00 1.12 0.00 0.00 29.99 32.13 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 -0.23 -0.55 -0.27 4.41 3.72 -0.53 -4.73 117.46 119.28 3hx2 n PHE 134 Ca 0.04 0.10 0.13 0.00 -0.05 0.00 0.00 57.45 57.67 3hx2 n PHE 134 Cb 0.22 0.25 0.39 0.00 -0.94 0.00 0.00 39.48 39.40 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 0.63 0.02 4.37 3.38 -1.34 -1.23 115.31 121.14 3hx2 h LEU 135 Ca 0.00 0.04 -0.24 0.00 0.09 0.00 0.00 57.88 57.78 3hx2 h LEU 135 Cb 0.30 -0.08 -0.03 0.00 0.09 0.00 0.00 40.66 40.94 3hx2 h LEU 135 CO 0.00 0.31 -1.19 -0.78 0.09 0.00 0.00 178.44 176.87 3hx2 h ASP 136 N 0.66 0.06 0.40 -0.43 -0.00 -1.82 -3.07 116.42 112.22 3hx2 h ASP 136 Ca 0.46 -0.07 -0.02 0.00 -0.00 0.00 0.00 57.03 57.40 3hx2 h ASP 136 Cb 0.79 -0.02 0.00 0.00 -0.00 0.00 0.00 39.33 40.10 3hx2 h ASP 136 CO -0.22 1.06 -0.19 -0.33 -0.00 0.00 0.00 179.24 179.56 3hx2 h GLU 137 N 0.01 -0.51 -0.58 0.28 4.39 -1.61 -2.08 114.58 114.48 3hx2 h GLU 137 Ca -0.09 0.03 -0.02 0.00 0.34 0.00 0.00 59.36 59.63 3hx2 h GLU 137 Cb 1.85 0.12 -0.03 0.00 -0.10 0.00 0.00 28.75 30.59 3hx2 h GLU 137 CO 0.13 -0.27 0.30 0.93 -1.16 0.00 0.00 179.01 178.94 3hx2 h GLU 138 N -0.67 0.80 -0.50 2.33 4.39 -1.38 -1.05 114.58 118.51 3hx2 h GLU 138 Ca -0.05 -0.09 -0.10 0.00 0.34 0.00 0.00 59.36 59.46 3hx2 h GLU 138 Cb 0.48 -0.16 -0.02 0.00 -0.10 0.00 0.00 28.75 28.96 3hx2 h GLU 138 CO 0.09 0.61 -0.09 0.28 -1.16 0.00 0.00 179.01 178.74 3hx2 h VAL 139 N 0.81 1.26 -0.14 3.13 2.07 -1.46 -0.92 116.25 121.00 3hx2 h VAL 139 Ca 0.20 -1.20 -0.19 0.00 0.82 0.00 0.00 66.70 66.34 3hx2 h VAL 139 Cb 0.05 0.98 -0.00 0.00 -1.52 0.00 0.00 31.29 30.80 3hx2 h VAL 139 CO -0.03 0.42 -0.68 0.11 0.02 0.00 0.00 177.57 177.41 3hx2 h LYS 140 N 0.81 0.57 -0.28 1.57 1.57 -0.88 -2.54 116.57 117.40 3hx2 h LYS 140 Ca 0.14 -0.42 -0.09 0.00 -1.87 0.00 0.00 60.65 58.40 3hx2 h LYS 140 Cb 0.61 0.08 -0.01 0.00 0.08 0.00 0.00 32.23 32.99 3hx2 h LYS 140 CO 0.04 1.05 -0.19 1.25 -0.57 0.00 0.00 179.45 181.03 3hx2 h LEU 141 N 0.41 0.64 -1.25 2.94 5.85 -1.07 -1.97 115.31 120.86 3hx2 h LEU 141 Ca -0.02 -0.44 -0.05 0.00 0.84 0.00 0.00 57.88 58.21 3hx2 h LEU 141 Cb 1.26 -0.18 -0.02 0.00 0.37 0.00 0.00 40.66 42.09 3hx2 h LEU 141 CO 0.13 0.94 -0.02 0.40 -0.34 0.00 0.00 178.44 179.54 3hx2 h ILE 142 N 0.35 1.19 -0.16 4.05 2.04 -1.18 0.16 117.51 123.96 3hx2 h ILE 142 Ca 0.06 -0.79 -0.13 0.00 1.00 0.00 0.00 64.86 65.00 3hx2 h ILE 142 Cb 0.72 0.99 -0.01 0.00 -0.74 0.00 0.00 36.82 37.78 3hx2 h ILE 142 CO 0.05 0.27 -0.45 0.50 0.00 0.00 0.00 178.15 178.52 3hx2 h LYS 143 N 0.46 0.40 0.20 2.37 1.63 -1.35 -0.69 116.57 119.59 3hx2 h LYS 143 Ca 0.10 -0.21 -0.01 0.00 -0.85 0.00 0.00 60.65 59.67 3hx2 h LYS 143 Cb 0.34 0.01 0.00 0.00 -0.60 0.00 0.00 32.23 31.98 3hx2 h LYS 143 CO 0.01 0.78 -0.10 -0.22 -3.45 0.00 0.00 179.45 176.47 3hx2 h LYS 144 N 0.33 -0.26 0.00 1.90 3.64 -0.38 0.54 116.57 122.33 3hx2 h LYS 144 Ca 0.02 0.02 -0.01 0.00 -1.27 0.00 0.00 60.65 59.41 3hx2 h LYS 144 Cb 0.92 0.06 -0.00 0.00 -0.41 0.00 0.00 32.23 32.80 3hx2 h LYS 144 CO 0.08 0.01 -0.06 0.52 -2.27 0.00 0.00 179.45 177.72 3hx2 h MET 145 N -0.52 0.00 -0.06 1.90 2.86 -0.66 -0.71 114.93 117.73 3hx2 h MET 145 Ca -0.03 0.00 -0.16 0.00 -2.06 0.00 0.00 59.70 57.45 3hx2 h MET 145 Cb 0.39 0.00 0.01 0.00 0.06 0.00 0.00 31.60 32.06 3hx2 h MET 145 CO 0.05 0.06 -0.59 0.78 1.06 0.00 0.00 176.91 178.27 3hx2 h GLY 146 N 0.31 0.56 1.22 8.32 0.00 -0.69 -2.29 103.07 110.50 3hx2 h GLY 146 Ca -0.00 -0.87 -0.00 0.00 0.00 0.00 0.00 47.33 46.46 3hx2 h GLY 146 CO 0.01 0.77 0.48 -0.55 0.00 0.00 0.00 176.54 177.25 3hx2 h ASP 147 N 0.08 0.91 0.56 0.19 5.19 -0.00 -2.63 116.42 120.72 3hx2 h ASP 147 Ca -0.06 -0.04 -0.03 0.00 -0.62 0.00 0.00 57.03 56.29 3hx2 h ASP 147 Cb 1.25 -0.23 0.01 0.00 0.18 0.00 0.00 39.33 40.54 3hx2 h ASP 147 CO 0.12 0.69 -0.27 0.45 -3.12 0.00 0.00 179.24 177.11 3hx2 h HIS 148 N 1.06 -0.70 -1.00 4.55 3.86 -1.10 -2.66 115.15 119.16 3hx2 h HIS 148 Ca 0.28 -0.02 0.21 0.00 -1.16 0.00 0.00 60.37 59.69 3hx2 h HIS 148 Cb -0.07 0.23 -0.11 0.00 1.06 0.00 0.00 27.41 28.52 3hx2 h HIS 148 CO 0.00 -0.37 0.61 -0.07 0.86 0.00 0.00 177.93 178.96 3hx2 h LEU 149 N -0.95 0.70 -0.82 2.43 3.38 -1.31 0.45 115.31 119.19 3hx2 h LEU 149 Ca -0.08 0.10 -0.09 0.00 0.09 0.00 0.00 57.88 57.90 3hx2 h LEU 149 Cb 0.64 -0.02 -0.02 0.00 0.09 0.00 0.00 40.66 41.35 3hx2 h LEU 149 CO 0.13 0.20 -0.13 0.74 0.09 0.00 0.00 178.44 179.47 3hx2 h THR 150 N 0.66 1.26 0.07 0.22 2.02 -1.41 -1.78 112.91 113.94 3hx2 h THR 150 Ca 0.59 -1.18 -0.24 0.00 0.77 0.00 0.00 66.41 66.35 3hx2 h THR 150 Cb 1.07 1.09 -0.01 0.00 -1.74 0.00 0.00 68.15 68.56 3hx2 h THR 150 CO -0.39 0.40 -1.11 0.78 0.37 0.00 0.00 175.52 175.57 3hx2 h ASN 151 N 0.67 0.24 -0.46 4.18 2.35 -0.39 -2.86 115.58 119.31 3hx2 h ASN 151 Ca 0.11 -0.25 -0.12 0.00 -0.55 0.00 0.00 56.30 55.49 3hx2 h ASN 151 Cb 0.60 -0.08 -0.01 0.00 0.05 0.00 0.00 38.32 38.88 3hx2 h ASN 151 CO 0.04 1.18 -0.16 -0.07 -1.65 0.00 0.00 177.43 176.77 3hx2 h LEU 152 N 0.05 0.94 -0.87 1.61 3.38 -0.13 -2.95 115.31 117.33 3hx2 h LEU 152 Ca -0.08 -0.38 -0.09 0.00 0.09 0.00 0.00 57.88 57.42 3hx2 h LEU 152 Cb 1.85 -0.26 -0.02 0.00 0.09 0.00 0.00 40.66 42.32 3hx2 h LEU 152 CO 0.17 1.11 -0.14 -0.74 0.09 0.00 0.00 178.44 178.92 3hx2 h HIS 153 N 0.77 0.74 0.00 1.13 2.76 -1.41 -2.63 115.15 116.52 3hx2 h HIS 153 Ca 0.11 -0.14 0.00 0.00 -2.20 0.00 0.00 60.37 58.14 3hx2 h HIS 153 Cb 0.72 -0.19 0.00 0.00 1.55 0.00 0.00 27.41 29.49 3hx2 h HIS 153 CO 0.05 0.78 0.00 -0.09 -1.30 0.00 0.00 177.93 177.37 3hx2 h ARG 154 N 0.61 0.00 -1.84 5.26 2.43 -1.34 -3.10 114.38 116.40 3hx2 h ARG 154 Ca 0.10 0.00 -0.48 0.00 -0.81 0.00 0.00 59.98 58.80 3hx2 h ARG 154 Cb 0.60 0.00 -0.18 0.00 -0.42 0.00 0.00 29.97 29.97 3hx2 h ARG 154 CO 0.04 0.00 0.45 1.28 -1.51 0.00 0.00 179.97 180.23 3hx2 n LEU 155 N -2.36 6.57 -2.71 3.80 4.77 -0.99 -3.79 117.00 122.29 3hx2 n LEU 155 Ca 0.00 -3.92 -0.04 0.00 -0.03 0.00 0.00 56.01 52.02 3hx2 n LEU 155 Cb 0.15 -1.17 0.10 0.00 -2.33 0.00 0.00 43.42 40.17 3hx2 n LEU 155 CO 0.16 1.60 0.38 0.61 -1.33 0.00 0.00 177.39 178.81 3hx2 n GLY 156 N 0.61 1.69 0.00 -0.72 0.00 -1.17 -5.07 105.19 100.52 3hx2 n GLY 156 Ca 0.45 -0.46 0.00 0.00 0.00 0.00 0.00 46.02 46.01 3hx2 n GLY 156 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3hx2 n GLY 157 N -0.86 -0.56 0.16 -0.02 0.00 -1.25 -5.05 105.19 97.60 3hx2 n GLY 157 Ca -0.05 -0.65 -0.10 0.00 0.00 0.00 0.00 46.02 45.22 3hx2 n GLY 157 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 3hx2 h PRO 158 N 0.00 0.45 -1.22 1.61 0.13 -2.01 -3.24 132.00 127.73 3hx2 h PRO 158 Ca 0.00 -0.08 0.00 0.00 -0.87 0.00 0.00 66.00 65.05 3hx2 h PRO 158 Cb 0.00 -0.07 0.00 0.00 0.13 0.00 0.00 31.00 31.06 3hx2 h PRO 158 CO 0.00 0.46 0.00 0.39 -0.23 0.00 0.00 178.00 178.62 3hx2 n GLU 159 N -4.74 0.63 0.00 0.86 4.71 -1.26 -4.39 120.64 116.45 3hx2 n GLU 159 Ca -0.02 0.00 0.00 0.00 -0.01 0.00 0.00 57.16 57.13 3hx2 n GLU 159 Cb 0.13 -1.21 0.00 0.00 -1.01 0.00 0.00 31.44 29.35 3hx2 n GLU 159 CO 0.00 0.00 0.00 0.00 0.09 0.00 0.00 177.13 177.22 3hx2 n ALA 160 N 0.58 1.52 -3.49 0.62 0.00 -1.22 -4.27 120.51 114.24 3hx2 n ALA 160 Ca 0.00 -0.00 -0.40 0.00 0.00 0.00 0.00 53.44 53.04 3hx2 n ALA 160 Cb 0.28 -1.00 -0.10 0.00 0.00 0.00 0.00 19.45 18.63 3hx2 n ALA 160 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.50 177.70 3hx2 s GLY 161 N -1.98 1.99 0.00 0.00 0.00 -1.26 -4.98 107.32 101.09 3hx2 s GLY 161 Ca 0.00 -2.36 0.00 0.00 0.00 0.00 0.00 44.72 42.36 3hx2 s GLY 161 CO 0.00 1.02 0.00 1.04 0.00 0.00 0.00 173.10 175.17 3hx2 n LEU 162 N 4.84 0.00 -4.53 0.66 4.77 -1.26 -4.81 117.00 116.67 3hx2 n LEU 162 Ca -0.08 0.00 -0.33 0.00 -0.03 0.00 0.00 56.01 55.58 3hx2 n LEU 162 Cb 0.42 0.00 -0.08 0.00 -2.33 0.00 0.00 43.42 41.42 3hx2 n LEU 162 CO 0.39 0.00 1.96 0.61 -1.33 0.00 0.00 177.39 179.02 3hx2 n GLY 163 N 5.00 -0.11 0.20 -0.72 0.00 -1.26 -4.84 105.19 103.46 3hx2 n GLY 163 Ca 0.00 0.68 -0.07 0.00 0.00 0.00 0.00 46.02 46.62 3hx2 n GLY 163 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 3hx2 h GLU 164 N 15.83 -0.45 -0.02 1.61 5.08 -2.04 -3.57 114.58 131.03 3hx2 h GLU 164 Ca -0.13 0.03 0.00 0.00 -1.00 0.00 0.00 59.36 58.26 3hx2 h GLU 164 Cb 1.23 0.10 0.00 0.00 0.50 0.00 0.00 28.75 30.58 3hx2 h GLU 164 CO 1.24 -0.30 0.00 0.66 -1.00 0.00 0.00 179.01 179.60