#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 0.58 0.09 6.12 1.04 -1.26 -5.12 113.70 115.15 3hx2 s SER 2 Ca 0.00 -0.28 -0.13 0.00 0.48 0.00 0.00 55.95 56.03 3hx2 s SER 2 Cb 0.00 -0.01 -0.08 0.00 0.10 0.00 0.00 66.02 66.04 3hx2 s SER 2 CO 0.00 -0.07 0.24 -0.24 0.98 0.00 0.00 173.24 174.15 3hx2 n SER 3 N 2.33 -0.55 0.33 7.02 2.88 -1.26 -4.78 113.62 119.60 3hx2 n SER 3 Ca -0.17 0.51 0.21 0.00 -1.33 0.00 0.00 58.87 58.09 3hx2 n SER 3 Cb 0.57 -0.43 1.14 0.00 -0.75 0.00 0.00 64.21 64.74 3hx2 n SER 3 CO 0.00 0.00 0.00 0.06 -1.23 0.00 0.00 175.04 173.87 3hx2 h GLN 4 N 0.48 0.00 0.00 -1.46 3.07 -1.99 -2.56 115.11 112.64 3hx2 h GLN 4 Ca -0.13 0.00 0.00 0.00 0.09 0.00 0.00 58.65 58.61 3hx2 h GLN 4 Cb 0.65 0.00 0.00 0.00 0.08 0.00 0.00 27.48 28.21 3hx2 h GLN 4 CO 0.26 0.00 -1.52 0.44 0.09 0.00 0.00 178.83 178.10 3hx2 n ILE 5 N -3.10 0.03 -1.66 1.86 -5.35 -1.26 -4.98 119.36 104.90 3hx2 n ILE 5 Ca -0.03 -0.29 -0.48 0.00 -0.27 0.00 0.00 62.75 61.68 3hx2 n ILE 5 Cb 0.13 0.38 -0.05 0.00 -1.74 0.00 0.00 39.64 38.36 3hx2 n ILE 5 CO 0.00 0.00 0.00 -1.14 -1.76 0.00 0.00 176.55 173.65 3hx2 n ARG 6 N -1.96 1.86 -3.41 6.28 0.63 -0.97 -4.84 116.66 114.25 3hx2 n ARG 6 Ca -0.00 0.67 -0.04 0.00 -0.92 0.00 0.00 57.85 57.56 3hx2 n ARG 6 Cb 0.47 -2.42 -0.06 0.00 0.45 0.00 0.00 32.46 30.90 3hx2 n ARG 6 CO 0.00 0.00 0.00 -1.14 -2.51 0.00 0.00 177.63 173.98 3hx2 s GLN 7 N 1.47 0.44 -1.20 -0.14 0.74 -1.26 -4.94 119.66 114.78 3hx2 s GLN 7 Ca 0.83 0.93 -0.07 0.00 0.05 0.00 0.00 55.36 57.11 3hx2 s GLN 7 Cb -0.77 0.22 0.01 0.00 1.10 0.00 0.00 33.01 33.57 3hx2 s GLN 7 CO 0.44 -0.48 0.87 -1.71 -0.55 0.00 0.00 175.29 173.86 3hx2 n ASN 8 N 5.40 -5.65 -3.91 6.67 5.15 -1.26 -4.99 115.26 116.68 3hx2 n ASN 8 Ca -0.05 -0.40 -0.30 0.00 -0.60 0.00 0.00 54.58 53.22 3hx2 n ASN 8 Cb 0.50 -4.32 -0.15 0.00 -0.53 0.00 0.00 39.78 35.28 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 -3.22 2.97 0.67 1.20 5.04 -1.26 -4.84 117.35 117.91 3hx2 s TYR 9 Ca 0.43 -2.59 -0.16 0.00 -2.44 0.00 0.00 57.07 52.32 3hx2 s TYR 9 Cb -0.19 -2.48 0.01 0.00 0.35 0.00 0.00 41.96 39.65 3hx2 s TYR 9 CO 0.53 -0.90 1.16 -1.54 -1.34 0.00 0.00 175.55 173.46 3hx2 s SER 10 N 1.00 4.80 0.48 4.32 1.04 -1.26 -4.89 113.70 119.19 3hx2 s SER 10 Ca 0.11 2.20 0.22 0.00 0.48 0.00 0.00 55.95 58.97 3hx2 s SER 10 Cb -0.19 -2.57 1.24 0.00 0.10 0.00 0.00 66.02 64.60 3hx2 s SER 10 CO -0.12 -1.85 2.02 0.71 0.98 0.00 0.00 173.24 174.98 3hx2 h THR 11 N 0.09 0.78 -0.17 2.02 1.35 -1.99 -1.68 112.91 113.31 3hx2 h THR 11 Ca -0.48 -0.65 -0.21 0.00 -0.55 0.00 0.00 66.41 64.52 3hx2 h THR 11 Cb 1.27 1.39 0.01 0.00 -1.73 0.00 0.00 68.15 69.09 3hx2 h THR 11 CO 0.53 0.16 -0.72 0.44 -0.25 0.00 0.00 175.52 175.68 3hx2 h ASP 12 N 0.00 0.93 -0.29 5.36 3.45 -1.99 -1.44 116.42 122.44 3hx2 h ASP 12 Ca -0.00 -0.62 -0.04 0.00 0.43 0.00 0.00 57.03 56.80 3hx2 h ASP 12 Cb 0.38 -0.27 -0.01 0.00 -0.56 0.00 0.00 39.33 38.86 3hx2 h ASP 12 CO 0.02 1.39 0.02 0.58 -1.57 0.00 0.00 179.24 179.68 3hx2 h VAL 13 N 0.52 1.25 -0.57 -1.35 2.07 -1.84 -1.39 116.25 114.94 3hx2 h VAL 13 Ca -0.04 -0.87 0.08 0.00 0.82 0.00 0.00 66.70 66.69 3hx2 h VAL 13 Cb 1.35 1.26 -0.07 0.00 -1.52 0.00 0.00 31.29 32.31 3hx2 h VAL 13 CO 0.15 0.28 0.22 -0.08 0.02 0.00 0.00 177.57 178.16 3hx2 h GLU 14 N 0.29 0.39 -0.45 1.57 4.81 -1.31 0.47 114.58 120.37 3hx2 h GLU 14 Ca 0.08 -0.02 -0.05 0.00 -0.13 0.00 0.00 59.36 59.24 3hx2 h GLU 14 Cb 0.39 -0.09 -0.02 0.00 0.63 0.00 0.00 28.75 29.66 3hx2 h GLU 14 CO 0.01 0.26 0.10 0.00 -0.73 0.00 0.00 179.01 178.65 3hx2 h ALA 15 N 1.38 0.59 -0.66 2.92 0.00 -1.07 -2.40 119.26 120.02 3hx2 h ALA 15 Ca 0.28 -0.21 -0.06 0.00 0.00 0.00 0.00 54.91 54.93 3hx2 h ALA 15 Cb 0.32 -0.17 -0.03 0.00 0.00 0.00 0.00 17.79 17.91 3hx2 h ALA 15 CO -0.28 0.28 0.19 0.00 0.00 0.00 0.00 179.25 179.45 3hx2 h ALA 16 N 0.96 0.87 -0.89 0.00 0.00 -0.50 -1.28 119.26 118.42 3hx2 h ALA 16 Ca 0.14 -0.22 0.00 0.00 0.00 0.00 0.00 54.91 54.83 3hx2 h ALA 16 Cb 0.34 -0.25 -0.04 0.00 0.00 0.00 0.00 17.79 17.83 3hx2 h ALA 16 CO 0.00 0.55 0.57 0.28 0.00 0.00 0.00 179.25 180.66 3hx2 h VAL 17 N 0.96 1.24 -0.45 0.00 2.07 -0.79 0.45 116.25 119.73 3hx2 h VAL 17 Ca 0.21 -0.46 -0.02 0.00 0.82 0.00 0.00 66.70 67.25 3hx2 h VAL 17 Cb 0.31 -0.06 -0.02 0.00 -1.52 0.00 0.00 31.29 30.01 3hx2 h VAL 17 CO -0.00 0.23 0.19 0.78 0.02 0.00 0.00 177.57 178.79 3hx2 h ASN 18 N 1.22 0.61 0.24 0.57 2.35 -1.00 -0.59 115.58 118.99 3hx2 h ASN 18 Ca 0.32 -0.16 -0.07 0.00 -0.55 0.00 0.00 56.30 55.85 3hx2 h ASN 18 Cb -0.11 -0.16 -0.01 0.00 0.05 0.00 0.00 38.32 38.09 3hx2 h ASN 18 CO -0.07 0.60 -0.29 -1.28 -1.65 0.00 0.00 177.43 174.74 3hx2 h SER 19 N 0.58 0.09 0.61 5.81 0.87 -0.57 -1.96 113.55 118.98 3hx2 h SER 19 Ca 0.15 -0.03 -0.18 0.00 -1.23 0.00 0.00 61.79 60.51 3hx2 h SER 19 Cb 0.17 -0.02 -0.02 0.00 -0.44 0.00 0.00 62.40 62.09 3hx2 h SER 19 CO -0.01 0.38 -0.80 0.25 -0.53 0.00 0.00 176.83 176.12 3hx2 h LEU 20 N 0.08 0.17 -0.45 2.23 5.85 0.38 -2.80 115.31 120.77 3hx2 h LEU 20 Ca 0.01 -0.13 -0.05 0.00 0.84 0.00 0.00 57.88 58.55 3hx2 h LEU 20 Cb 0.57 -0.05 -0.02 0.00 0.37 0.00 0.00 40.66 41.53 3hx2 h LEU 20 CO 0.04 0.90 0.08 0.58 -0.34 0.00 0.00 178.44 179.70 3hx2 h VAL 21 N 0.08 1.24 -0.86 1.05 2.07 -0.45 -0.75 116.25 118.63 3hx2 h VAL 21 Ca -0.03 -0.88 0.02 0.00 0.82 0.00 0.00 66.70 66.64 3hx2 h VAL 21 Cb 1.40 0.95 -0.05 0.00 -1.52 0.00 0.00 31.29 32.07 3hx2 h VAL 21 CO 0.12 0.31 0.57 -1.13 0.02 0.00 0.00 177.57 177.45 3hx2 h ASN 22 N 0.60 0.96 -0.20 0.57 -0.73 -1.32 -0.01 115.58 115.44 3hx2 h ASN 22 Ca 0.14 -0.02 -0.02 0.00 1.87 0.00 0.00 56.30 58.27 3hx2 h ASN 22 Cb 0.37 -0.23 -0.01 0.00 0.27 0.00 0.00 38.32 38.72 3hx2 h ASN 22 CO 0.01 0.68 0.04 0.25 -0.37 0.00 0.00 177.43 178.03 3hx2 h LEU 23 N 1.12 0.32 -1.40 0.34 5.85 -1.17 -1.12 115.31 119.25 3hx2 h LEU 23 Ca 0.33 -0.25 -0.05 0.00 0.84 0.00 0.00 57.88 58.74 3hx2 h LEU 23 Cb -0.06 -0.08 -0.01 0.00 0.37 0.00 0.00 40.66 40.88 3hx2 h LEU 23 CO -0.08 0.49 -0.25 1.88 -0.34 0.00 0.00 178.44 180.14 3hx2 h TYR 24 N 0.13 0.00 -0.18 1.25 -1.99 -0.60 0.15 116.97 115.73 3hx2 h TYR 24 Ca 0.06 0.00 -0.06 0.00 2.00 0.00 0.00 58.73 60.73 3hx2 h TYR 24 Cb 0.30 0.00 -0.00 0.00 2.00 0.00 0.00 36.73 39.03 3hx2 h TYR 24 CO 0.02 0.25 -0.13 -0.07 -0.00 0.00 0.00 178.16 178.22 3hx2 h LEU 25 N 0.00 0.43 -0.96 3.88 3.38 -0.69 -1.40 115.31 119.95 3hx2 h LEU 25 Ca -0.00 -0.44 -0.03 0.00 0.09 0.00 0.00 57.88 57.49 3hx2 h LEU 25 Cb 0.61 -0.12 -0.04 0.00 0.09 0.00 0.00 40.66 41.20 3hx2 h LEU 25 CO 0.03 0.78 0.35 -0.61 0.09 0.00 0.00 178.44 179.09 3hx2 h GLN 26 N 0.08 1.10 0.09 1.13 4.15 -0.86 0.19 115.11 120.99 3hx2 h GLN 26 Ca 0.04 -0.16 -0.00 0.00 0.77 0.00 0.00 58.65 59.29 3hx2 h GLN 26 Cb 0.64 -0.20 0.00 0.00 0.21 0.00 0.00 27.48 28.14 3hx2 h GLN 26 CO 0.04 0.85 -0.04 0.00 -1.93 0.00 0.00 178.83 177.75 3hx2 h ALA 27 N 1.30 -0.12 -0.64 3.38 0.00 -0.54 -1.45 119.26 121.19 3hx2 h ALA 27 Ca 0.26 -0.03 0.02 0.00 0.00 0.00 0.00 54.91 55.16 3hx2 h ALA 27 Cb 0.13 0.05 -0.04 0.00 0.00 0.00 0.00 17.79 17.93 3hx2 h ALA 27 CO -0.03 -0.56 0.41 1.03 0.00 0.00 0.00 179.25 180.10 3hx2 h SER 28 N -0.14 0.68 -0.39 0.00 0.87 -0.78 -1.95 113.55 111.84 3hx2 h SER 28 Ca -0.01 -0.01 0.05 0.00 -1.23 0.00 0.00 61.79 60.59 3hx2 h SER 28 Cb 0.11 -0.15 -0.05 0.00 -0.44 0.00 0.00 62.40 61.87 3hx2 h SER 28 CO 0.02 0.48 0.12 0.22 -0.53 0.00 0.00 176.83 177.14 3hx2 h TYR 29 N 0.81 0.20 0.43 2.24 3.20 -0.68 -0.59 116.97 122.58 3hx2 h TYR 29 Ca 0.25 0.02 -0.01 0.00 3.14 0.00 0.00 58.73 62.13 3hx2 h TYR 29 Cb -0.02 -0.03 -0.01 0.00 1.54 0.00 0.00 36.73 38.21 3hx2 h TYR 29 CO -0.04 0.07 -0.27 1.15 -1.64 0.00 0.00 178.16 177.43 3hx2 h THR 30 N 0.26 0.45 -0.82 1.81 2.02 -0.76 -1.94 112.91 113.93 3hx2 h THR 30 Ca 0.18 0.00 0.15 0.00 0.77 0.00 0.00 66.41 67.51 3hx2 h THR 30 Cb 0.18 0.45 -0.06 0.00 -1.74 0.00 0.00 68.15 66.98 3hx2 h THR 30 CO -0.20 0.00 0.54 1.88 0.37 0.00 0.00 175.52 178.11 3hx2 h TYR 31 N -0.66 0.65 -0.38 3.16 0.05 -1.02 0.35 116.97 119.11 3hx2 h TYR 31 Ca -0.05 0.02 0.01 0.00 0.05 0.00 0.00 58.73 58.76 3hx2 h TYR 31 Cb 0.55 -0.20 -0.02 0.00 1.01 0.00 0.00 36.73 38.06 3hx2 h TYR 31 CO -0.10 0.24 0.24 1.25 -1.05 0.00 0.00 178.16 178.75 3hx2 h LEU 32 N 0.55 0.41 -0.14 3.88 5.85 -0.59 0.32 115.31 125.60 3hx2 h LEU 32 Ca 0.41 -0.01 0.01 0.00 0.84 0.00 0.00 57.88 59.14 3hx2 h LEU 32 Cb 0.79 -0.10 -0.01 0.00 0.37 0.00 0.00 40.66 41.71 3hx2 h LEU 32 CO -0.16 0.30 0.05 -1.28 -0.34 0.00 0.00 178.44 177.01 3hx2 h SER 33 N 0.49 0.07 -0.40 1.25 0.87 0.33 -1.70 113.55 114.47 3hx2 h SER 33 Ca 0.14 0.01 0.02 0.00 -1.23 0.00 0.00 61.79 60.74 3hx2 h SER 33 Cb -0.03 -0.00 -0.03 0.00 -0.44 0.00 0.00 62.40 61.90 3hx2 h SER 33 CO -0.05 0.06 0.23 -0.07 -0.53 0.00 0.00 176.83 176.47 3hx2 h LEU 34 N 0.13 0.36 -0.21 2.23 3.38 -0.59 -1.43 115.31 119.17 3hx2 h LEU 34 Ca 0.06 0.01 0.04 0.00 0.09 0.00 0.00 57.88 58.08 3hx2 h LEU 34 Cb 0.03 -0.07 -0.04 0.00 0.09 0.00 0.00 40.66 40.67 3hx2 h LEU 34 CO -0.05 0.26 -0.06 1.23 0.09 0.00 0.00 178.44 179.90 3hx2 h GLY 35 N 0.46 0.14 2.00 0.83 0.00 0.02 -2.06 103.07 104.45 3hx2 h GLY 35 Ca 0.16 0.08 -0.05 0.00 0.00 0.00 0.00 47.33 47.52 3hx2 h GLY 35 CO -0.08 -0.09 -0.24 0.74 0.00 0.00 0.00 176.54 176.87 3hx2 h PHE 36 N -0.02 0.00 -0.54 5.60 -1.00 -1.14 -2.97 116.94 116.87 3hx2 h PHE 36 Ca 0.10 0.00 -0.04 0.00 2.81 0.00 0.00 57.97 60.85 3hx2 h PHE 36 Cb 0.17 0.00 -0.02 0.00 3.61 0.00 0.00 35.95 39.71 3hx2 h PHE 36 CO -0.23 0.24 0.20 -0.92 -1.61 0.00 0.00 178.31 175.99 3hx2 h TYR 37 N 0.00 0.84 0.00 -0.55 3.20 -0.55 -1.42 116.97 118.49 3hx2 h TYR 37 Ca -0.00 -0.07 0.00 0.00 3.14 0.00 0.00 58.73 61.80 3hx2 h TYR 37 Cb 0.74 -0.25 0.00 0.00 1.54 0.00 0.00 36.73 38.76 3hx2 h TYR 37 CO 0.00 0.70 0.00 1.19 -1.64 0.00 0.00 178.16 178.41 3hx2 n PHE 38 N -4.50 0.00 0.21 -3.82 3.72 -1.04 -2.64 117.46 109.40 3hx2 n PHE 38 Ca 0.02 0.00 0.11 0.00 -0.05 0.00 0.00 57.45 57.54 3hx2 n PHE 38 Cb 0.17 0.00 -0.09 0.00 -0.94 0.00 0.00 39.48 38.63 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 -0.84 0.40 -4.68 4.37 4.64 -0.55 -1.95 116.55 117.95 3hx2 n ASP 39 Ca 0.15 -0.04 -0.43 0.00 -1.38 0.00 0.00 54.79 53.09 3hx2 n ASP 39 Cb 0.07 1.31 -0.01 0.00 -1.04 0.00 0.00 41.12 41.45 3hx2 n ASP 39 CO 0.00 0.00 0.00 0.54 -0.82 0.00 0.00 177.20 176.92 3hx2 n ARG 40 N -2.24 2.00 0.19 -0.67 1.74 -1.08 -4.61 116.66 111.98 3hx2 n ARG 40 Ca -0.01 0.70 0.14 0.00 -0.77 0.00 0.00 57.85 57.91 3hx2 n ARG 40 Cb 0.52 -2.24 0.74 0.00 -1.02 0.00 0.00 32.46 30.46 3hx2 n ARG 40 CO 0.00 0.00 0.00 0.38 -1.52 0.00 0.00 177.63 176.49 3hx2 h ASP 41 N 2.46 0.00 -0.02 0.55 2.03 -1.92 0.24 116.42 119.76 3hx2 h ASP 41 Ca -0.45 0.00 0.00 0.00 -0.73 0.00 0.00 57.03 55.85 3hx2 h ASP 41 Cb 1.29 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 39.79 3hx2 h ASP 41 CO 0.62 0.00 0.00 -0.90 -1.03 0.00 0.00 179.24 177.93 3hx2 n ASP 42 N -4.20 0.48 0.02 4.15 3.85 -1.26 -4.05 116.55 115.54 3hx2 n ASP 42 Ca 0.01 -1.24 0.00 0.00 -0.71 0.00 0.00 54.79 52.86 3hx2 n ASP 42 Cb 0.28 -0.01 0.00 0.00 -1.35 0.00 0.00 41.12 40.04 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 -0.59 0.50 -3.94 2.12 0.31 -0.26 -5.08 118.33 111.39 3hx2 n VAL 43 Ca 0.21 0.16 -0.26 0.00 -0.01 0.00 0.00 64.34 64.44 3hx2 n VAL 43 Cb 0.18 -1.53 -0.02 0.00 -0.91 0.00 0.00 33.84 31.56 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 -3.20 -2.05 -3.75 3.52 0.00 0.68 -4.95 120.51 110.76 3hx2 n ALA 44 Ca 0.00 -0.27 -0.32 0.00 0.00 0.00 0.00 53.44 52.85 3hx2 n ALA 44 Cb 0.30 -1.62 -0.09 0.00 0.00 0.00 0.00 19.45 18.03 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 -4.40 3.66 -0.24 0.00 4.77 -0.82 -4.94 117.00 115.04 3hx2 n LEU 45 Ca -0.30 -5.19 -0.03 0.00 -0.03 0.00 0.00 56.01 50.46 3hx2 n LEU 45 Cb 0.68 -0.92 0.04 0.00 -2.33 0.00 0.00 43.42 40.89 3hx2 n LEU 45 CO 0.75 1.68 0.65 -0.08 -1.33 0.00 0.00 177.39 179.06 3hx2 h GLU 46 N 5.60 -0.09 -0.55 3.23 4.81 -1.93 -0.88 114.58 124.77 3hx2 h GLU 46 Ca 0.16 0.01 0.05 0.00 -0.13 0.00 0.00 59.36 59.45 3hx2 h GLU 46 Cb 0.77 0.02 -0.05 0.00 0.63 0.00 0.00 28.75 30.12 3hx2 h GLU 46 CO 0.80 -0.06 0.28 0.78 -0.73 0.00 0.00 179.01 180.07 3hx2 h GLY 47 N -0.09 0.78 1.19 1.92 0.00 -1.94 0.23 103.07 105.15 3hx2 h GLY 47 Ca 0.28 -0.18 -0.08 0.00 0.00 0.00 0.00 47.33 47.35 3hx2 h GLY 47 CO -0.73 0.10 0.04 -2.08 0.00 0.00 0.00 176.54 173.87 3hx2 h VAL 48 N 0.52 1.26 0.30 4.60 2.07 -1.69 -1.10 116.25 122.21 3hx2 h VAL 48 Ca 0.25 -1.06 -0.01 0.00 0.82 0.00 0.00 66.70 66.70 3hx2 h VAL 48 Cb 0.18 0.76 0.00 0.00 -1.52 0.00 0.00 31.29 30.71 3hx2 h VAL 48 CO -0.18 0.39 -0.14 -1.28 0.02 0.00 0.00 177.57 176.37 3hx2 h SER 49 N 0.92 -0.34 -0.67 0.57 0.87 -0.54 -2.03 113.55 112.33 3hx2 h SER 49 Ca 0.18 -0.04 0.09 0.00 -1.23 0.00 0.00 61.79 60.79 3hx2 h SER 49 Cb 0.48 0.09 -0.07 0.00 -0.44 0.00 0.00 62.40 62.45 3hx2 h SER 49 CO 0.02 -0.19 0.31 -0.74 -0.53 0.00 0.00 176.83 175.70 3hx2 h HIS 50 N -0.47 0.55 -0.30 2.24 6.17 -0.89 0.56 115.15 123.01 3hx2 h HIS 50 Ca -0.04 0.03 0.05 0.00 0.71 0.00 0.00 60.37 61.12 3hx2 h HIS 50 Cb 0.36 -0.15 -0.05 0.00 2.52 0.00 0.00 27.41 30.09 3hx2 h HIS 50 CO -0.04 0.19 -0.02 0.35 0.71 0.00 0.00 177.93 179.12 3hx2 h PHE 51 N 0.53 -0.05 -0.03 5.26 3.57 -0.88 -1.24 116.94 124.10 3hx2 h PHE 51 Ca 0.33 0.02 -0.14 0.00 3.53 0.00 0.00 57.97 61.71 3hx2 h PHE 51 Cb 0.36 0.07 -0.02 0.00 2.79 0.00 0.00 35.95 39.15 3hx2 h PHE 51 CO -0.13 -0.07 -0.65 0.74 -2.23 0.00 0.00 178.31 175.98 3hx2 h PHE 52 N 0.06 0.14 -0.56 0.41 -1.00 -0.63 -2.84 116.94 112.52 3hx2 h PHE 52 Ca 0.15 -0.06 -0.03 0.00 2.81 0.00 0.00 57.97 60.84 3hx2 h PHE 52 Cb 0.20 -0.02 -0.02 0.00 3.61 0.00 0.00 35.95 39.72 3hx2 h PHE 52 CO -0.24 0.72 0.23 0.00 -1.61 0.00 0.00 178.31 177.41 3hx2 h ARG 53 N 0.07 0.83 -0.99 1.51 3.08 -0.47 -1.69 114.38 116.73 3hx2 h ARG 53 Ca -0.01 -0.15 0.02 0.00 0.07 0.00 0.00 59.98 59.91 3hx2 h ARG 53 Cb 1.15 -0.14 -0.05 0.00 0.08 0.00 0.00 29.97 31.01 3hx2 h ARG 53 CO 0.09 0.72 0.65 0.93 -1.07 0.00 0.00 179.97 181.29 3hx2 h GLU 54 N 0.77 1.27 -0.64 0.04 5.08 -1.12 -1.97 114.58 118.00 3hx2 h GLU 54 Ca 0.19 -0.08 -0.04 0.00 -1.00 0.00 0.00 59.36 58.43 3hx2 h GLU 54 Cb 0.19 -0.29 -0.03 0.00 0.50 0.00 0.00 28.75 29.12 3hx2 h GLU 54 CO -0.02 0.84 0.23 -0.07 -1.00 0.00 0.00 179.01 178.99 3hx2 h LEU 55 N 1.31 0.90 -0.76 1.33 3.38 -1.20 -1.52 115.31 118.75 3hx2 h LEU 55 Ca 0.37 -0.19 0.08 0.00 0.09 0.00 0.00 57.88 58.24 3hx2 h LEU 55 Cb -0.10 -0.24 -0.07 0.00 0.09 0.00 0.00 40.66 40.35 3hx2 h LEU 55 CO -0.09 0.85 0.42 0.00 0.09 0.00 0.00 178.44 179.71 3hx2 h ALA 56 N 1.09 1.06 -0.45 1.53 0.00 -0.59 0.04 119.26 121.95 3hx2 h ALA 56 Ca 0.21 0.03 -0.09 0.00 0.00 0.00 0.00 54.91 55.06 3hx2 h ALA 56 Cb 0.25 -0.11 -0.02 0.00 0.00 0.00 0.00 17.79 17.91 3hx2 h ALA 56 CO -0.01 0.06 -0.10 1.49 0.00 0.00 0.00 179.25 180.68 3hx2 h GLU 57 N 0.73 0.80 -0.33 0.00 4.57 -0.93 -1.44 114.58 117.98 3hx2 h GLU 57 Ca 0.36 -0.27 -0.03 0.00 -1.18 0.00 0.00 59.36 58.24 3hx2 h GLU 57 Cb 0.31 -0.07 -0.01 0.00 -0.16 0.00 0.00 28.75 28.82 3hx2 h GLU 57 CO -0.23 0.87 0.08 0.93 -1.18 0.00 0.00 179.01 179.47 3hx2 h GLU 58 N 0.73 0.53 0.00 1.92 5.08 -0.22 -0.38 114.58 122.23 3hx2 h GLU 58 Ca 0.12 -0.13 -0.02 0.00 -1.00 0.00 0.00 59.36 58.33 3hx2 h GLU 58 Cb 0.59 -0.07 -0.00 0.00 0.50 0.00 0.00 28.75 29.77 3hx2 h GLU 58 CO 0.04 0.59 -0.10 0.87 -1.00 0.00 0.00 179.01 179.41 3hx2 h LYS 59 N 0.37 0.00 0.01 2.33 1.79 -0.75 0.13 116.57 120.46 3hx2 h LYS 59 Ca 0.10 0.00 -0.00 0.00 -2.18 0.00 0.00 60.65 58.57 3hx2 h LYS 59 Cb 0.30 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 30.95 3hx2 h LYS 59 CO 0.00 0.10 -0.00 -0.09 -1.08 0.00 0.00 179.45 178.38 3hx2 h ARG 60 N 0.00 -0.01 0.00 3.15 2.43 -0.39 -1.92 114.38 117.64 3hx2 h ARG 60 Ca -0.00 0.00 -0.01 0.00 -0.81 0.00 0.00 59.98 59.16 3hx2 h ARG 60 Cb 0.31 0.00 -0.00 0.00 -0.42 0.00 0.00 29.97 29.86 3hx2 h ARG 60 CO 0.01 0.52 -0.03 0.93 -1.51 0.00 0.00 179.97 179.89 3hx2 h GLU 61 N -0.54 0.00 0.35 0.20 5.08 -0.35 -1.94 114.58 117.38 3hx2 h GLU 61 Ca -0.00 0.00 -0.02 0.00 -1.00 0.00 0.00 59.36 58.34 3hx2 h GLU 61 Cb 0.53 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.78 3hx2 h GLU 61 CO 0.00 0.03 -0.17 0.78 -1.00 0.00 0.00 179.01 178.65 3hx2 h GLY 62 N 0.19 -0.49 1.87 -3.84 0.00 -0.42 -2.25 103.07 98.12 3hx2 h GLY 62 Ca -0.00 0.18 -0.05 0.00 0.00 0.00 0.00 47.33 47.47 3hx2 h GLY 62 CO 0.00 -0.18 -0.14 0.10 0.00 0.00 0.00 176.54 176.32 3hx2 h TYR 63 N -0.99 0.17 -0.39 5.60 -0.00 -1.12 -2.02 116.97 118.22 3hx2 h TYR 63 Ca -0.05 -0.02 -0.02 0.00 0.00 0.00 0.00 58.73 58.64 3hx2 h TYR 63 Cb 0.51 -0.05 -0.02 0.00 0.00 0.00 0.00 36.73 37.17 3hx2 h TYR 63 CO 0.03 0.31 0.15 0.93 -0.00 0.00 0.00 178.16 179.58 3hx2 h GLU 64 N 0.15 0.58 -0.04 0.10 5.08 -1.41 -0.21 114.58 118.84 3hx2 h GLU 64 Ca 0.03 -0.11 -0.03 0.00 -1.00 0.00 0.00 59.36 58.26 3hx2 h GLU 64 Cb 0.35 -0.09 -0.01 0.00 0.50 0.00 0.00 28.75 29.50 3hx2 h GLU 64 CO 0.02 0.55 -0.10 -0.09 -1.00 0.00 0.00 179.01 178.40 3hx2 h ARG 65 N 0.48 0.06 -0.04 2.33 2.43 -0.96 -0.19 114.38 118.49 3hx2 h ARG 65 Ca 0.13 -0.01 -0.02 0.00 -0.81 0.00 0.00 59.98 59.27 3hx2 h ARG 65 Cb 0.19 -0.01 -0.00 0.00 -0.42 0.00 0.00 29.97 29.73 3hx2 h ARG 65 CO -0.01 0.16 -0.05 -0.07 -1.51 0.00 0.00 179.97 178.49 3hx2 h LEU 66 N 0.06 0.11 -0.65 3.80 3.38 -0.63 -2.45 115.31 118.91 3hx2 h LEU 66 Ca 0.01 -0.53 -0.01 0.00 0.09 0.00 0.00 57.88 57.44 3hx2 h LEU 66 Cb 0.21 -0.03 -0.03 0.00 0.09 0.00 0.00 40.66 40.90 3hx2 h LEU 66 CO 0.01 0.61 0.36 -0.07 0.09 0.00 0.00 178.44 179.45 3hx2 h LEU 67 N -0.40 0.81 -0.53 1.67 3.38 -0.53 0.13 115.31 119.85 3hx2 h LEU 67 Ca 0.00 -0.09 0.04 0.00 0.09 0.00 0.00 57.88 57.92 3hx2 h LEU 67 Cb 0.59 -0.21 -0.04 0.00 0.09 0.00 0.00 40.66 41.09 3hx2 h LEU 67 CO 0.01 0.67 0.29 0.50 0.09 0.00 0.00 178.44 180.00 3hx2 h LYS 68 N 0.89 0.55 -0.57 1.13 1.63 -1.10 -1.07 116.57 118.04 3hx2 h LYS 68 Ca 0.23 -0.03 -0.06 0.00 -0.85 0.00 0.00 60.65 59.93 3hx2 h LYS 68 Cb 0.04 -0.12 -0.02 0.00 -0.60 0.00 0.00 32.23 31.52 3hx2 h LYS 68 CO -0.04 0.36 0.10 1.98 -3.45 0.00 0.00 179.45 178.41 3hx2 h MET 69 N 0.57 0.90 -0.85 1.90 4.05 -0.91 -2.01 114.93 118.58 3hx2 h MET 69 Ca 0.22 -0.21 -0.01 0.00 -0.28 0.00 0.00 59.70 59.42 3hx2 h MET 69 Cb 0.09 -0.12 -0.04 0.00 -0.80 0.00 0.00 31.60 30.73 3hx2 h MET 69 CO -0.13 0.84 0.49 0.37 0.23 0.00 0.00 176.91 178.70 3hx2 h GLN 70 N 0.86 1.17 -0.16 0.39 5.75 0.21 -2.56 115.11 120.76 3hx2 h GLN 70 Ca 0.18 -0.12 -0.10 0.00 -0.15 0.00 0.00 58.65 58.46 3hx2 h GLN 70 Cb 0.37 -0.24 0.00 0.00 1.07 0.00 0.00 27.48 28.68 3hx2 h GLN 70 CO 0.01 0.84 -0.29 -0.91 -2.65 0.00 0.00 178.83 175.83 3hx2 h ASN 71 N 1.18 0.53 -0.04 -0.69 2.35 -0.86 0.25 115.58 118.30 3hx2 h ASN 71 Ca 0.30 -0.54 0.01 0.00 -0.55 0.00 0.00 56.30 55.53 3hx2 h ASN 71 Cb -0.01 -0.15 -0.00 0.00 0.05 0.00 0.00 38.32 38.21 3hx2 h ASN 71 CO -0.05 0.97 0.05 1.56 -1.65 0.00 0.00 177.43 178.31 3hx2 h GLN 72 N 0.11 0.00 0.00 0.81 4.20 -1.24 -1.28 115.11 117.72 3hx2 h GLN 72 Ca 0.01 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.72 3hx2 h GLN 72 Cb 0.87 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.65 3hx2 h GLN 72 CO 0.06 0.00 -0.72 0.54 -0.67 0.00 0.00 178.83 178.05 3hx2 n ARG 73 N -3.83 0.09 -0.03 1.46 5.12 -0.98 -4.93 116.66 113.56 3hx2 n ARG 73 Ca -0.02 0.01 0.00 0.00 -1.93 0.00 0.00 57.85 55.91 3hx2 n ARG 73 Cb 0.14 -1.54 0.00 0.00 -1.16 0.00 0.00 32.46 29.90 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 1.46 0.73 3.76 -0.13 0.00 -0.48 -3.94 105.19 106.58 3hx2 n GLY 74 Ca 0.04 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.77 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 -1.47 1.61 -0.20 -0.02 0.00 0.85 -4.48 107.32 103.61 3hx2 s GLY 75 Ca 0.00 -0.23 0.01 0.00 0.00 0.00 0.00 44.72 44.50 3hx2 s GLY 75 CO 0.00 0.26 -0.17 0.50 0.00 0.00 0.00 173.10 173.69 3hx2 s ARG 76 N -5.08 2.69 0.03 2.90 1.81 -1.26 -4.32 118.95 115.72 3hx2 s ARG 76 Ca 0.63 -0.92 -0.30 0.00 -1.72 0.00 0.00 55.73 53.41 3hx2 s ARG 76 Cb -0.16 -2.59 -0.07 0.00 -0.45 0.00 0.00 34.95 31.68 3hx2 s ARG 76 CO 0.55 -0.31 1.52 0.00 -0.68 0.00 0.00 175.30 176.39 3hx2 s ALA 77 N 1.27 3.63 -0.16 2.13 0.00 -1.26 -5.00 121.76 122.37 3hx2 s ALA 77 Ca 0.01 1.02 0.01 0.00 0.00 0.00 0.00 51.96 53.01 3hx2 s ALA 77 Cb -0.15 -3.65 0.02 0.00 0.00 0.00 0.00 23.12 19.35 3hx2 s ALA 77 CO -0.11 -1.02 -0.18 -0.51 0.00 0.00 0.00 175.76 173.94 3hx2 s LEU 78 N 2.59 1.93 0.41 0.00 1.43 -1.26 -5.13 118.68 118.65 3hx2 s LEU 78 Ca 0.69 -0.57 0.03 0.00 -1.03 0.00 0.00 54.13 53.25 3hx2 s LEU 78 Cb -0.35 -1.34 -0.00 0.00 0.03 0.00 0.00 46.19 44.53 3hx2 s LEU 78 CO 0.29 -0.02 0.59 -0.36 0.23 0.00 0.00 176.35 177.08 3hx2 s PHE 79 N 1.33 3.12 0.29 0.29 0.08 -1.26 -4.87 117.98 116.97 3hx2 s PHE 79 Ca 0.04 -0.01 0.03 0.00 0.12 0.00 0.00 56.93 57.10 3hx2 s PHE 79 Cb -0.13 -2.22 -0.01 0.00 -0.57 0.00 0.00 43.02 40.09 3hx2 s PHE 79 CO -0.11 -0.26 0.33 1.04 -0.10 0.00 0.00 175.22 176.12 3hx2 n GLN 80 N -1.91 0.48 -1.96 0.44 1.13 -1.26 -5.14 117.38 109.16 3hx2 n GLN 80 Ca 0.02 -2.63 -0.38 0.00 -1.94 0.00 0.00 57.00 52.06 3hx2 n GLN 80 Cb 0.58 2.34 0.02 0.00 0.11 0.00 0.00 30.24 33.29 3hx2 n GLN 80 CO 0.00 0.00 0.00 -0.51 -1.44 0.00 0.00 177.06 175.11 3hx2 s ASP 81 N -2.93 5.66 -0.45 1.08 -0.00 -1.26 -4.98 116.67 113.78 3hx2 s ASP 81 Ca 0.30 2.61 -0.13 0.00 -0.00 0.00 0.00 52.55 55.33 3hx2 s ASP 81 Cb 0.00 -2.63 0.08 0.00 -0.00 0.00 0.00 42.92 40.37 3hx2 s ASP 81 CO 0.21 -1.29 0.33 -0.63 -0.00 0.00 0.00 175.17 173.79 3hx2 s ILE 82 N -1.38 4.77 0.42 0.77 1.01 -1.26 -5.04 121.20 120.48 3hx2 s ILE 82 Ca 0.68 -1.22 -0.26 0.00 0.00 0.00 0.00 60.65 59.85 3hx2 s ILE 82 Cb -0.36 -3.88 -0.10 0.00 0.01 0.00 0.00 42.46 38.13 3hx2 s ILE 82 CO 0.44 -0.55 1.32 0.29 0.00 0.00 0.00 174.94 176.44 3hx2 n LYS 83 N 5.07 2.07 -1.55 2.79 5.02 -1.26 -4.97 118.16 125.33 3hx2 n LYS 83 Ca -0.11 0.73 -0.32 0.00 -2.02 0.00 0.00 58.31 56.59 3hx2 n LYS 83 Cb 0.43 -2.45 0.06 0.00 -0.02 0.00 0.00 35.03 33.06 3hx2 n LYS 83 CO 0.00 0.00 0.00 -1.59 -0.52 0.00 0.00 177.40 175.29 3hx2 s LYS 84 N -2.22 2.62 0.60 1.97 -2.85 -1.26 -4.85 119.74 113.75 3hx2 s LYS 84 Ca 0.60 1.24 -0.18 0.00 -1.00 0.00 0.00 55.97 56.63 3hx2 s LYS 84 Cb -0.50 -1.94 -0.05 0.00 -2.06 0.00 0.00 37.83 33.28 3hx2 s LYS 84 CO 0.59 -1.37 0.93 -2.30 0.10 0.00 0.00 175.35 173.30 3hx2 n PRO 85 N -2.92 0.86 0.29 1.78 -0.02 -1.26 -4.88 135.00 128.86 3hx2 n PRO 85 Ca 0.09 0.34 0.20 0.00 -2.02 0.00 0.00 63.50 62.11 3hx2 n PRO 85 Cb 0.53 -2.13 0.99 0.00 -0.02 0.00 0.00 33.50 32.86 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 0.47 1.00 -2.72 3.55 0.00 -1.98 -3.44 119.26 116.14 3hx2 h ALA 86 Ca -0.48 0.00 -0.24 0.00 0.00 0.00 0.00 54.91 54.19 3hx2 h ALA 86 Cb 1.37 0.00 -0.18 0.00 0.00 0.00 0.00 17.79 18.97 3hx2 h ALA 86 CO 0.51 0.00 -0.71 -1.21 0.00 0.00 0.00 179.25 177.83 3hx2 s GLU 87 N -3.92 0.64 -0.17 0.00 0.41 -1.26 -5.04 118.70 109.36 3hx2 s GLU 87 Ca -0.03 -1.01 0.18 0.00 -0.41 0.00 0.00 54.97 53.70 3hx2 s GLU 87 Cb 0.11 -0.20 -0.25 0.00 -1.78 0.00 0.00 34.13 32.01 3hx2 s GLU 87 CO 0.41 0.01 0.16 -0.25 -0.49 0.00 0.00 175.26 175.10 3hx2 n ASP 88 N 0.78 0.10 -4.18 -0.19 8.00 -1.26 -4.90 116.55 114.89 3hx2 n ASP 88 Ca -0.18 0.05 -0.25 0.00 0.71 0.00 0.00 54.79 55.11 3hx2 n ASP 88 Cb 0.58 0.93 -0.15 0.00 -0.02 0.00 0.00 41.12 42.45 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 -2.56 1.47 0.00 -1.24 2.02 -1.26 -5.02 118.70 112.12 3hx2 s GLU 89 Ca -0.09 -0.66 0.11 0.00 0.02 0.00 0.00 54.97 54.35 3hx2 s GLU 89 Cb 0.07 -1.43 0.28 0.00 0.10 0.00 0.00 34.13 33.14 3hx2 s GLU 89 CO 0.83 0.39 1.20 0.91 0.02 0.00 0.00 175.26 178.61 3hx2 n TRP 90 N 2.60 0.40 -3.60 1.61 7.02 -1.26 -5.09 117.44 119.11 3hx2 n TRP 90 Ca -0.15 -0.41 0.00 0.00 -1.02 0.00 0.00 57.50 55.92 3hx2 n TRP 90 Cb 0.54 -0.02 0.00 0.00 -2.42 0.00 0.00 31.31 29.41 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 0.57 1.77 3.95 6.99 0.00 -1.26 -3.66 105.19 113.54 3hx2 n GLY 91 Ca 0.11 -0.59 -0.23 0.00 0.00 0.00 0.00 46.02 45.31 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 3.29 0.26 1.61 1.02 -1.26 -4.90 119.74 119.76 3hx2 s LYS 92 Ca 0.00 -0.42 -0.04 0.00 0.02 0.00 0.00 55.97 55.53 3hx2 s LYS 92 Cb 0.00 -2.62 0.54 0.00 -0.52 0.00 0.00 37.83 35.23 3hx2 s LYS 92 CO 0.00 -0.05 1.64 1.15 -0.92 0.00 0.00 175.35 177.17 3hx2 h THR 93 N 0.59 0.32 -0.18 2.17 2.02 -2.00 0.17 112.91 116.01 3hx2 h THR 93 Ca -0.48 -0.05 -0.03 0.00 0.77 0.00 0.00 66.41 66.62 3hx2 h THR 93 Cb 1.23 0.17 -0.01 0.00 -1.74 0.00 0.00 68.15 67.81 3hx2 h THR 93 CO 0.59 0.03 -0.03 -0.65 0.37 0.00 0.00 175.52 175.82 3hx2 h PRO 94 N 0.14 0.26 -0.21 6.66 0.11 -1.95 0.15 132.00 137.17 3hx2 h PRO 94 Ca 0.46 -0.04 -0.20 0.00 0.11 0.00 0.00 66.00 66.33 3hx2 h PRO 94 Cb 0.86 -0.04 0.00 0.00 0.11 0.00 0.00 31.00 31.93 3hx2 h PRO 94 CO -0.67 0.32 -0.65 -0.44 -0.21 0.00 0.00 178.00 176.35 3hx2 h ASP 95 N 0.26 0.89 0.09 -2.05 5.19 -1.00 -2.06 116.42 117.73 3hx2 h ASP 95 Ca 0.06 -0.52 -0.00 0.00 -0.62 0.00 0.00 57.03 55.95 3hx2 h ASP 95 Cb 0.23 -0.26 0.00 0.00 0.18 0.00 0.00 39.33 39.49 3hx2 h ASP 95 CO 0.01 1.31 -0.04 0.00 -3.12 0.00 0.00 179.24 177.39 3hx2 h ALA 96 N 0.70 -0.12 -0.23 3.45 0.00 -0.78 -2.43 119.26 119.85 3hx2 h ALA 96 Ca -0.01 -0.13 0.07 0.00 0.00 0.00 0.00 54.91 54.83 3hx2 h ALA 96 Cb 1.25 0.04 -0.01 0.00 0.00 0.00 0.00 17.79 19.08 3hx2 h ALA 96 CO 0.13 -0.44 0.17 1.98 0.00 0.00 0.00 179.25 181.09 3hx2 h MET 97 N -0.36 0.00 -0.09 0.00 -1.53 -0.98 -0.10 114.93 111.87 3hx2 h MET 97 Ca -0.01 0.00 -0.21 0.00 -3.44 0.00 0.00 59.70 56.04 3hx2 h MET 97 Cb 0.31 0.00 0.00 0.00 -0.55 0.00 0.00 31.60 31.36 3hx2 h MET 97 CO 0.02 0.00 -0.81 0.87 0.14 0.00 0.00 176.91 177.13 3hx2 h LYS 98 N 0.00 0.58 -0.61 0.39 1.57 -1.13 -1.83 116.57 115.53 3hx2 h LYS 98 Ca 0.11 -0.51 -0.09 0.00 -1.87 0.00 0.00 60.65 58.29 3hx2 h LYS 98 Cb 0.45 0.12 -0.02 0.00 0.08 0.00 0.00 32.23 32.85 3hx2 h LYS 98 CO -0.00 1.13 0.01 0.00 -0.57 0.00 0.00 179.45 180.02 3hx2 h ALA 99 N 0.72 0.86 0.81 3.86 0.00 -0.60 -0.88 119.26 124.03 3hx2 h ALA 99 Ca -0.06 -0.31 -0.04 0.00 0.00 0.00 0.00 54.91 54.51 3hx2 h ALA 99 Cb 1.42 -0.23 -0.00 0.00 0.00 0.00 0.00 17.79 18.98 3hx2 h ALA 99 CO 0.15 0.67 -0.49 0.00 0.00 0.00 0.00 179.25 179.58 3hx2 h ALA 100 N 1.02 -1.27 -0.59 0.00 0.00 -1.06 -0.24 119.26 117.13 3hx2 h ALA 100 Ca 0.18 -0.25 0.12 0.00 0.00 0.00 0.00 54.91 54.95 3hx2 h ALA 100 Cb 0.54 0.61 -0.09 0.00 0.00 0.00 0.00 17.79 18.84 3hx2 h ALA 100 CO 0.03 -1.23 0.04 1.98 0.00 0.00 0.00 179.25 180.07 3hx2 h MET 101 N -1.22 0.15 -0.99 0.00 -1.53 -1.27 0.58 114.93 110.66 3hx2 h MET 101 Ca -0.11 -0.01 0.01 0.00 -3.44 0.00 0.00 59.70 56.15 3hx2 h MET 101 Cb 0.97 -0.03 -0.05 0.00 -0.55 0.00 0.00 31.60 31.94 3hx2 h MET 101 CO 0.11 0.10 0.65 0.00 0.14 0.00 0.00 176.91 177.91 3hx2 h ALA 102 N 1.51 1.26 -0.39 0.39 0.00 -0.98 -1.41 119.26 119.64 3hx2 h ALA 102 Ca 0.31 -0.08 -0.02 0.00 0.00 0.00 0.00 54.91 55.12 3hx2 h ALA 102 Cb 0.48 -0.40 -0.02 0.00 0.00 0.00 0.00 17.79 17.85 3hx2 h ALA 102 CO -0.47 0.66 0.18 1.25 0.00 0.00 0.00 179.25 180.87 3hx2 h LEU 103 N 1.35 0.52 -0.66 0.00 5.85 0.90 -2.44 115.31 120.83 3hx2 h LEU 103 Ca 0.36 -0.14 -0.09 0.00 0.84 0.00 0.00 57.88 58.85 3hx2 h LEU 103 Cb -0.14 -0.13 -0.02 0.00 0.37 0.00 0.00 40.66 40.73 3hx2 h LEU 103 CO -0.08 0.51 0.05 -0.33 -0.34 0.00 0.00 178.44 178.25 3hx2 h GLU 104 N 0.49 1.09 0.00 1.25 4.39 -0.74 -1.99 114.58 119.07 3hx2 h GLU 104 Ca 0.13 -0.32 -0.06 0.00 0.34 0.00 0.00 59.36 59.46 3hx2 h GLU 104 Cb 0.14 -0.11 -0.01 0.00 -0.10 0.00 0.00 28.75 28.67 3hx2 h GLU 104 CO -0.02 1.03 -0.27 0.87 -1.16 0.00 0.00 179.01 179.47 3hx2 h LYS 105 N 1.00 0.00 -0.21 2.33 1.57 -1.15 0.79 116.57 120.91 3hx2 h LYS 105 Ca 0.19 0.00 -0.10 0.00 -1.87 0.00 0.00 60.65 58.87 3hx2 h LYS 105 Cb 0.51 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 32.82 3hx2 h LYS 105 CO 0.02 0.27 -0.25 -0.22 -0.57 0.00 0.00 179.45 178.70 3hx2 h LYS 106 N 0.00 0.53 -0.10 3.15 3.64 -1.03 -1.64 116.57 121.12 3hx2 h LYS 106 Ca -0.00 -0.30 -0.02 0.00 -1.27 0.00 0.00 60.65 59.06 3hx2 h LYS 106 Cb 0.56 0.02 -0.00 0.00 -0.41 0.00 0.00 32.23 32.40 3hx2 h LYS 106 CO 0.03 0.89 -0.02 -0.07 -2.27 0.00 0.00 179.45 178.01 3hx2 h LEU 107 N 0.21 0.20 -0.99 5.20 3.38 -1.01 -1.95 115.31 120.34 3hx2 h LEU 107 Ca 0.03 -0.36 0.16 0.00 0.09 0.00 0.00 57.88 57.79 3hx2 h LEU 107 Cb 0.81 -0.05 -0.10 0.00 0.09 0.00 0.00 40.66 41.41 3hx2 h LEU 107 CO 0.06 0.51 0.61 -1.13 0.09 0.00 0.00 178.44 178.57 3hx2 h ASN 108 N -0.12 0.83 -0.24 -0.43 -1.24 -0.85 0.20 115.58 113.73 3hx2 h ASN 108 Ca 0.03 0.08 -0.05 0.00 0.71 0.00 0.00 56.30 57.06 3hx2 h ASN 108 Cb 0.42 -0.08 -0.01 0.00 0.73 0.00 0.00 38.32 39.38 3hx2 h ASN 108 CO 0.01 0.36 -0.05 -0.61 -1.29 0.00 0.00 177.43 175.86 3hx2 h GLN 109 N 0.85 0.45 -0.91 6.67 5.75 -1.19 -0.69 115.11 126.04 3hx2 h GLN 109 Ca 0.54 -0.17 0.10 0.00 -0.15 0.00 0.00 58.65 58.96 3hx2 h GLN 109 Cb 0.70 -0.03 -0.08 0.00 1.07 0.00 0.00 27.48 29.15 3hx2 h GLN 109 CO -0.33 0.67 0.55 0.00 -2.65 0.00 0.00 178.83 177.07 3hx2 h ALA 110 N 0.76 1.32 0.45 3.38 0.00 -0.20 0.45 119.26 125.43 3hx2 h ALA 110 Ca 0.06 0.02 -0.02 0.00 0.00 0.00 0.00 54.91 54.97 3hx2 h ALA 110 Cb 0.50 -0.19 0.00 0.00 0.00 0.00 0.00 17.79 18.11 3hx2 h ALA 110 CO 0.02 0.20 -0.22 -0.07 0.00 0.00 0.00 179.25 179.18 3hx2 h LEU 111 N 0.92 -0.52 -1.71 0.00 3.38 -0.49 -0.57 115.31 116.32 3hx2 h LEU 111 Ca 0.43 -0.07 0.08 0.00 0.09 0.00 0.00 57.88 58.42 3hx2 h LEU 111 Cb 0.36 0.13 -0.03 0.00 0.09 0.00 0.00 40.66 41.22 3hx2 h LEU 111 CO -0.24 -0.24 0.34 -0.07 0.09 0.00 0.00 178.44 178.33 3hx2 h LEU 112 N -0.79 0.30 -0.39 1.67 3.38 -0.43 0.24 115.31 119.29 3hx2 h LEU 112 Ca -0.06 0.00 -0.14 0.00 0.09 0.00 0.00 57.88 57.77 3hx2 h LEU 112 Cb 0.55 -0.06 -0.01 0.00 0.09 0.00 0.00 40.66 41.23 3hx2 h LEU 112 CO 0.10 0.19 -0.29 0.44 0.09 0.00 0.00 178.44 178.97 3hx2 h ASP 113 N 0.34 0.93 -0.35 -0.43 3.45 0.11 -2.05 116.42 118.41 3hx2 h ASP 113 Ca 0.23 -0.44 -0.05 0.00 0.43 0.00 0.00 57.03 57.20 3hx2 h ASP 113 Cb 0.47 -0.26 -0.01 0.00 -0.56 0.00 0.00 39.33 38.96 3hx2 h ASP 113 CO -0.05 1.18 0.04 0.25 -1.57 0.00 0.00 179.24 179.08 3hx2 h LEU 114 N 0.70 0.57 -1.76 1.55 5.85 0.67 -2.04 115.31 120.85 3hx2 h LEU 114 Ca 0.07 -0.27 0.01 0.00 0.84 0.00 0.00 57.88 58.53 3hx2 h LEU 114 Cb 0.87 -0.15 -0.01 0.00 0.37 0.00 0.00 40.66 41.74 3hx2 h LEU 114 CO 0.08 0.70 0.17 -0.74 -0.34 0.00 0.00 178.44 178.31 3hx2 h HIS 115 N 0.42 0.31 -0.39 1.25 2.76 -0.57 0.22 115.15 119.15 3hx2 h HIS 115 Ca 0.10 0.01 -0.14 0.00 -2.20 0.00 0.00 60.37 58.15 3hx2 h HIS 115 Cb 0.39 -0.10 -0.01 0.00 1.55 0.00 0.00 27.41 29.23 3hx2 h HIS 115 CO 0.03 0.19 -0.29 0.00 -1.30 0.00 0.00 177.93 176.56 3hx2 h ALA 116 N 1.84 0.55 -0.56 5.26 0.00 -0.93 -2.06 119.26 123.38 3hx2 h ALA 116 Ca 0.09 -0.41 -0.09 0.00 0.00 0.00 0.00 54.91 54.50 3hx2 h ALA 116 Cb -0.02 -0.13 -0.02 0.00 0.00 0.00 0.00 17.79 17.62 3hx2 h ALA 116 CO -0.02 0.59 -0.02 1.25 0.00 0.00 0.00 179.25 181.04 3hx2 h LEU 117 N 0.69 0.95 -0.09 0.00 5.85 -0.49 -2.19 115.31 120.03 3hx2 h LEU 117 Ca 0.07 -0.27 0.02 0.00 0.84 0.00 0.00 57.88 58.55 3hx2 h LEU 117 Cb 0.87 -0.26 -0.02 0.00 0.37 0.00 0.00 40.66 41.62 3hx2 h LEU 117 CO 0.08 1.02 -0.04 1.23 -0.34 0.00 0.00 178.44 180.39 3hx2 h GLY 118 N 0.99 0.05 1.00 3.75 0.00 -0.41 -0.52 103.07 107.93 3hx2 h GLY 118 Ca 0.16 0.05 0.01 0.00 0.00 0.00 0.00 47.33 47.55 3hx2 h GLY 118 CO 0.03 -0.05 0.62 1.76 0.00 0.00 0.00 176.54 178.90 3hx2 h SER 119 N -0.03 1.08 -0.17 0.19 0.02 -1.21 0.16 113.55 113.60 3hx2 h SER 119 Ca 0.05 -0.03 -0.07 0.00 -0.84 0.00 0.00 61.79 60.90 3hx2 h SER 119 Cb 0.10 -0.27 -0.02 0.00 0.14 0.00 0.00 62.40 62.35 3hx2 h SER 119 CO -0.11 0.78 -0.12 0.00 -1.14 0.00 0.00 176.83 176.25 3hx2 h ALA 120 N 1.35 1.22 -0.44 3.77 0.00 -0.93 -1.45 119.26 122.77 3hx2 h ALA 120 Ca 0.35 -0.27 0.00 0.00 0.00 0.00 0.00 54.91 54.98 3hx2 h ALA 120 Cb -0.14 -0.14 0.00 0.00 0.00 0.00 0.00 17.79 17.51 3hx2 h ALA 120 CO -0.08 0.51 0.00 0.54 0.00 0.00 0.00 179.25 180.22 3hx2 n ARG 121 N -4.20 2.55 -4.13 0.00 5.12 -0.25 -4.93 116.66 110.83 3hx2 n ARG 121 Ca 0.01 -1.80 -0.38 0.00 -1.93 0.00 0.00 57.85 53.75 3hx2 n ARG 121 Cb 0.32 -1.57 -0.03 0.00 -1.16 0.00 0.00 32.46 30.03 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 0.73 -2.36 -3.57 0.55 -2.24 -0.44 -4.89 114.28 102.05 3hx2 n THR 122 Ca 0.16 -0.58 -0.37 0.00 -2.27 0.00 0.00 64.05 60.99 3hx2 n THR 122 Cb 0.55 -2.00 -0.06 0.00 -2.10 0.00 0.00 70.33 66.72 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 -2.55 4.42 -0.20 3.42 -0.08 -0.09 -4.94 116.55 116.53 3hx2 n ASP 123 Ca -0.21 -3.16 0.05 0.00 -1.51 0.00 0.00 54.79 49.96 3hx2 n ASP 123 Cb 0.63 -1.07 0.32 0.00 2.34 0.00 0.00 41.12 43.34 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 5.92 0.81 -0.70 -0.67 0.13 -1.90 -2.52 132.00 133.06 3hx2 h PRO 124 Ca 0.17 -0.05 0.02 0.00 -0.87 0.00 0.00 66.00 65.27 3hx2 h PRO 124 Cb 0.80 -0.18 -0.04 0.00 0.13 0.00 0.00 31.00 31.70 3hx2 h PRO 124 CO 0.90 0.53 0.45 1.25 -0.23 0.00 0.00 178.00 180.90 3hx2 h HIS 125 N 0.83 0.84 0.14 1.56 2.76 -1.96 -0.99 115.15 118.33 3hx2 h HIS 125 Ca 0.31 0.02 -0.01 0.00 -2.20 0.00 0.00 60.37 58.50 3hx2 h HIS 125 Cb 0.18 -0.28 0.00 0.00 1.55 0.00 0.00 27.41 28.86 3hx2 h HIS 125 CO -0.00 0.50 -0.07 1.25 -1.30 0.00 0.00 177.93 178.31 3hx2 h LEU 126 N 0.89 -0.16 -0.61 0.26 5.85 -1.88 -1.21 115.31 118.45 3hx2 h LEU 126 Ca 0.27 -0.12 0.11 0.00 0.84 0.00 0.00 57.88 58.98 3hx2 h LEU 126 Cb -0.02 0.04 -0.08 0.00 0.37 0.00 0.00 40.66 40.97 3hx2 h LEU 126 CO -0.09 0.03 0.17 0.00 -0.34 0.00 0.00 178.44 178.20 3hx2 h ASP 128 N 0.31 0.31 0.35 0.00 3.58 -1.08 -1.40 116.42 118.50 3hx2 h ASP 128 Ca 0.32 -0.13 -0.02 0.00 0.42 0.00 0.00 57.03 57.62 3hx2 h ASP 128 Cb 0.45 -0.09 0.00 0.00 1.72 0.00 0.00 39.33 41.42 3hx2 h ASP 128 CO -0.37 0.68 -0.17 0.15 -2.88 0.00 0.00 179.24 176.65 3hx2 h PHE 129 N 0.25 -0.44 -0.69 0.28 3.04 -0.01 -0.59 116.94 118.79 3hx2 h PHE 129 Ca 0.03 -0.01 -0.03 0.00 3.98 0.00 0.00 57.97 61.93 3hx2 h PHE 129 Cb 0.80 0.14 -0.03 0.00 2.56 0.00 0.00 35.95 39.43 3hx2 h PHE 129 CO 0.02 -0.25 0.30 -0.07 -2.02 0.00 0.00 178.31 176.29 3hx2 h LEU 130 N -0.51 0.92 -0.58 0.59 3.38 -1.19 -1.98 115.31 115.94 3hx2 h LEU 130 Ca -0.05 -0.15 0.01 0.00 0.09 0.00 0.00 57.88 57.78 3hx2 h LEU 130 Cb 0.38 -0.24 -0.03 0.00 0.09 0.00 0.00 40.66 40.87 3hx2 h LEU 130 CO 0.08 0.82 0.39 -0.33 0.09 0.00 0.00 178.44 179.49 3hx2 h GLU 131 N 0.97 0.77 -0.08 1.13 5.08 -1.14 -0.60 114.58 120.71 3hx2 h GLU 131 Ca 0.23 -0.05 -0.23 0.00 -1.00 0.00 0.00 59.36 58.31 3hx2 h GLU 131 Cb 0.16 -0.17 0.01 0.00 0.50 0.00 0.00 28.75 29.25 3hx2 h GLU 131 CO -0.02 0.51 -0.88 1.15 -1.00 0.00 0.00 179.01 178.76 3hx2 h THR 132 N 0.79 1.30 0.00 1.13 2.02 -0.86 -3.37 112.91 113.92 3hx2 h THR 132 Ca 0.21 -2.14 0.00 0.00 0.77 0.00 0.00 66.41 65.25 3hx2 h THR 132 Cb -0.09 2.18 0.00 0.00 -1.74 0.00 0.00 68.15 68.50 3hx2 h THR 132 CO -0.05 0.66 -0.58 1.41 0.37 0.00 0.00 175.52 177.34 3hx2 n HIS 133 N -3.87 0.00 0.02 3.16 8.25 -0.77 -4.90 115.22 117.12 3hx2 n HIS 133 Ca -0.08 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.38 3hx2 n HIS 133 Cb 0.80 -0.03 0.00 0.00 1.12 0.00 0.00 29.99 31.87 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 -1.31 -0.04 -0.01 4.41 3.72 -0.40 -4.69 117.46 119.15 3hx2 n PHE 134 Ca 0.01 0.01 -0.11 0.00 -0.05 0.00 0.00 57.45 57.31 3hx2 n PHE 134 Cb 0.15 0.02 -0.05 0.00 -0.94 0.00 0.00 39.48 38.67 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 -1.12 -1.26 4.37 3.38 -1.34 -1.30 115.31 118.03 3hx2 h LEU 135 Ca 0.00 0.16 -0.01 0.00 0.09 0.00 0.00 57.88 58.12 3hx2 h LEU 135 Cb 0.60 0.47 -0.00 0.00 0.09 0.00 0.00 40.66 41.82 3hx2 h LEU 135 CO 0.00 -0.38 -0.06 -0.78 0.09 0.00 0.00 178.44 177.30 3hx2 h ASP 136 N -0.42 0.00 -0.21 -0.43 1.82 -1.84 -2.76 116.42 112.58 3hx2 h ASP 136 Ca 0.09 0.00 -0.15 0.00 -0.39 0.00 0.00 57.03 56.59 3hx2 h ASP 136 Cb 0.58 0.00 0.00 0.00 0.68 0.00 0.00 39.33 40.59 3hx2 h ASP 136 CO -0.39 0.06 -0.45 -0.33 -1.61 0.00 0.00 179.24 176.53 3hx2 h GLU 137 N 0.00 0.67 -0.14 0.28 4.39 -1.61 -2.18 114.58 115.99 3hx2 h GLU 137 Ca -0.00 -0.44 -0.02 0.00 0.34 0.00 0.00 59.36 59.24 3hx2 h GLU 137 Cb 0.61 0.06 -0.01 0.00 -0.10 0.00 0.00 28.75 29.31 3hx2 h GLU 137 CO 0.01 1.06 0.02 0.93 -1.16 0.00 0.00 179.01 179.87 3hx2 h GLU 138 N 0.37 0.23 0.01 2.33 4.39 -1.13 -1.64 114.58 119.15 3hx2 h GLU 138 Ca 0.00 -0.06 0.03 0.00 0.34 0.00 0.00 59.36 59.67 3hx2 h GLU 138 Cb 1.05 -0.03 -0.04 0.00 -0.10 0.00 0.00 28.75 29.64 3hx2 h GLU 138 CO 0.10 0.43 -0.21 0.28 -1.16 0.00 0.00 179.01 178.45 3hx2 h VAL 139 N 0.01 0.51 -0.98 3.13 2.07 -1.53 0.36 116.25 119.82 3hx2 h VAL 139 Ca 0.04 0.00 0.13 0.00 0.82 0.00 0.00 66.70 67.69 3hx2 h VAL 139 Cb 0.31 0.51 -0.08 0.00 -1.52 0.00 0.00 31.29 30.51 3hx2 h VAL 139 CO 0.00 0.00 0.62 0.11 0.02 0.00 0.00 177.57 178.32 3hx2 h LYS 140 N -0.34 0.90 -0.11 1.57 1.57 -1.33 -0.76 116.57 118.07 3hx2 h LYS 140 Ca 0.06 -0.05 -0.13 0.00 -1.87 0.00 0.00 60.65 58.65 3hx2 h LYS 140 Cb 0.41 -0.20 0.00 0.00 0.08 0.00 0.00 32.23 32.52 3hx2 h LYS 140 CO -0.18 0.60 -0.43 1.25 -0.57 0.00 0.00 179.45 180.12 3hx2 h LEU 141 N 0.93 0.57 -1.29 2.94 5.85 -0.31 -1.22 115.31 122.78 3hx2 h LEU 141 Ca 0.49 -0.62 -0.00 0.00 0.84 0.00 0.00 57.88 58.59 3hx2 h LEU 141 Cb 0.55 -0.17 -0.03 0.00 0.37 0.00 0.00 40.66 41.38 3hx2 h LEU 141 CO -0.26 1.10 0.41 0.40 -0.34 0.00 0.00 178.44 179.74 3hx2 h ILE 142 N 0.08 1.18 -0.22 4.05 2.04 0.30 0.90 117.51 125.85 3hx2 h ILE 142 Ca -0.02 -0.39 -0.04 0.00 1.00 0.00 0.00 64.86 65.41 3hx2 h ILE 142 Cb 1.06 0.24 -0.01 0.00 -0.74 0.00 0.00 36.82 37.37 3hx2 h ILE 142 CO 0.09 0.19 -0.02 0.50 0.00 0.00 0.00 178.15 178.91 3hx2 h LYS 143 N 0.91 0.40 -0.95 2.37 1.63 -1.10 -1.12 116.57 118.71 3hx2 h LYS 143 Ca 0.24 -0.14 0.06 0.00 -0.85 0.00 0.00 60.65 59.97 3hx2 h LYS 143 Cb -0.05 -0.03 -0.06 0.00 -0.60 0.00 0.00 32.23 31.48 3hx2 h LYS 143 CO -0.05 0.61 0.62 -0.22 -3.45 0.00 0.00 179.45 176.95 3hx2 h LYS 144 N 0.15 1.07 -0.13 1.90 3.64 -0.06 -1.63 116.57 121.51 3hx2 h LYS 144 Ca 0.06 -0.06 -0.17 0.00 -1.27 0.00 0.00 60.65 59.21 3hx2 h LYS 144 Cb 0.44 -0.24 -0.01 0.00 -0.41 0.00 0.00 32.23 32.01 3hx2 h LYS 144 CO 0.01 0.71 -0.62 0.52 -2.27 0.00 0.00 179.45 177.80 3hx2 h MET 145 N 1.10 0.47 -0.09 1.90 2.86 -0.65 -2.86 114.93 117.66 3hx2 h MET 145 Ca 0.41 -0.33 -0.00 0.00 -2.06 0.00 0.00 59.70 57.72 3hx2 h MET 145 Cb 0.18 0.05 -0.00 0.00 0.06 0.00 0.00 31.60 31.88 3hx2 h MET 145 CO -0.16 0.95 0.05 0.78 1.06 0.00 0.00 176.91 179.59 3hx2 h GLY 146 N 1.16 0.13 0.69 8.32 0.00 -0.28 -1.62 103.07 111.47 3hx2 h GLY 146 Ca -0.01 -0.06 0.07 0.00 0.00 0.00 0.00 47.33 47.34 3hx2 h GLY 146 CO 0.11 0.05 0.63 -0.55 0.00 0.00 0.00 176.54 176.79 3hx2 h ASP 147 N 0.06 1.00 -0.49 0.19 5.19 -1.39 -0.03 116.42 120.94 3hx2 h ASP 147 Ca 0.03 0.02 -0.03 0.00 -0.62 0.00 0.00 57.03 56.43 3hx2 h ASP 147 Cb 0.06 -0.19 -0.02 0.00 0.18 0.00 0.00 39.33 39.36 3hx2 h ASP 147 CO -0.01 0.62 0.20 0.45 -3.12 0.00 0.00 179.24 177.38 3hx2 h HIS 148 N 1.13 0.74 -0.27 4.55 3.86 -1.24 0.19 115.15 124.12 3hx2 h HIS 148 Ca 0.44 -0.06 0.00 0.00 -1.16 0.00 0.00 60.37 59.59 3hx2 h HIS 148 Cb 0.22 -0.22 -0.01 0.00 1.06 0.00 0.00 27.41 28.45 3hx2 h HIS 148 CO -0.01 0.62 0.18 -0.07 0.86 0.00 0.00 177.93 179.51 3hx2 h LEU 149 N 0.65 0.31 -0.36 2.43 3.38 -0.51 0.37 115.31 121.58 3hx2 h LEU 149 Ca 0.16 -0.01 0.03 0.00 0.09 0.00 0.00 57.88 58.15 3hx2 h LEU 149 Cb 0.19 -0.08 -0.03 0.00 0.09 0.00 0.00 40.66 40.83 3hx2 h LEU 149 CO -0.01 0.23 0.15 0.74 0.09 0.00 0.00 178.44 179.64 3hx2 h THR 150 N 0.36 0.94 0.00 0.22 2.02 -0.70 0.87 112.91 116.62 3hx2 h THR 150 Ca 0.10 -0.11 -0.09 0.00 0.77 0.00 0.00 66.41 67.07 3hx2 h THR 150 Cb -0.03 0.59 -0.01 0.00 -1.74 0.00 0.00 68.15 66.95 3hx2 h THR 150 CO -0.02 0.06 -0.44 0.78 0.37 0.00 0.00 175.52 176.27 3hx2 h ASN 151 N 0.33 0.00 -0.06 4.18 2.35 -0.66 -2.20 115.58 119.52 3hx2 h ASN 151 Ca 0.16 0.00 -0.02 0.00 -0.55 0.00 0.00 56.30 55.88 3hx2 h ASN 151 Cb 0.10 0.00 -0.00 0.00 0.05 0.00 0.00 38.32 38.47 3hx2 h ASN 151 CO -0.13 0.44 -0.05 -0.07 -1.65 0.00 0.00 177.43 175.96 3hx2 h LEU 152 N 0.00 0.15 -1.67 1.61 3.38 0.61 -2.85 115.31 116.54 3hx2 h LEU 152 Ca -0.00 -0.47 -0.02 0.00 0.09 0.00 0.00 57.88 57.47 3hx2 h LEU 152 Cb 0.97 -0.04 -0.01 0.00 0.09 0.00 0.00 40.66 41.67 3hx2 h LEU 152 CO 0.06 0.59 -0.04 -0.74 0.09 0.00 0.00 178.44 178.39 3hx2 h HIS 153 N -0.28 0.15 0.00 1.13 2.76 -0.84 -1.41 115.15 116.66 3hx2 h HIS 153 Ca 0.01 -0.01 -0.05 0.00 -2.20 0.00 0.00 60.37 58.13 3hx2 h HIS 153 Cb 0.54 -0.05 -0.01 0.00 1.55 0.00 0.00 27.41 29.45 3hx2 h HIS 153 CO 0.09 0.20 -0.22 -0.09 -1.30 0.00 0.00 177.93 176.61 3hx2 h ARG 154 N 0.15 0.00 -1.82 5.26 2.43 -1.30 -3.28 114.38 115.82 3hx2 h ARG 154 Ca 0.04 0.00 -0.09 0.00 -0.81 0.00 0.00 59.98 59.11 3hx2 h ARG 154 Cb 0.18 0.00 -0.04 0.00 -0.42 0.00 0.00 29.97 29.69 3hx2 h ARG 154 CO 0.01 0.22 0.12 1.28 -1.51 0.00 0.00 179.97 180.09 3hx2 n LEU 155 N -3.51 5.57 0.00 3.80 4.77 -0.53 -4.13 117.00 122.96 3hx2 n LEU 155 Ca -0.01 -2.62 0.00 0.00 -0.03 0.00 0.00 56.01 53.35 3hx2 n LEU 155 Cb 0.38 -1.08 0.00 0.00 -2.33 0.00 0.00 43.42 40.39 3hx2 n LEU 155 CO 0.33 1.05 0.00 0.61 -1.33 0.00 0.00 177.39 178.05 3hx2 n GLY 156 N 1.13 -0.04 0.00 -0.72 0.00 -1.24 -5.01 105.19 99.31 3hx2 n GLY 156 Ca 0.09 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.11 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 3.07 0.81 3.60 -0.02 0.00 -1.26 -4.93 105.19 106.45 3hx2 n GLY 157 Ca 0.00 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.72 3hx2 n GLY 157 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 3hx2 s PRO 158 N 1.22 -0.97 0.00 1.61 0.04 -1.26 -3.68 135.00 131.96 3hx2 s PRO 158 Ca 0.00 0.07 0.00 0.00 0.04 0.00 0.00 61.00 61.11 3hx2 s PRO 158 Cb 0.00 -1.61 0.00 0.00 0.04 0.00 0.00 34.50 32.93 3hx2 s PRO 158 CO 0.00 -3.57 0.00 0.39 0.04 0.00 0.00 177.00 173.86 3hx2 n GLU 159 N -4.69 -0.53 0.00 4.56 1.02 -1.26 -4.79 120.64 114.95 3hx2 n GLU 159 Ca 0.11 0.13 0.00 0.00 -0.02 0.00 0.00 57.16 57.39 3hx2 n GLU 159 Cb 0.59 -3.88 0.00 0.00 -0.02 0.00 0.00 31.44 28.13 3hx2 n GLU 159 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31