#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 5.13 0.41 7.83 1.04 -1.26 -5.14 113.70 121.71 3hx2 s SER 2 Ca 0.00 -0.40 0.00 0.00 0.48 0.00 0.00 55.95 56.03 3hx2 s SER 2 Cb 0.00 -1.18 0.00 0.00 0.10 0.00 0.00 66.02 64.94 3hx2 s SER 2 CO 0.00 -0.01 0.00 -0.24 0.98 0.00 0.00 173.24 173.97 3hx2 n SER 3 N -0.99 -0.51 -0.03 7.02 2.88 -1.26 -5.02 113.62 115.71 3hx2 n SER 3 Ca -0.07 -0.16 -0.03 0.00 -1.33 0.00 0.00 58.87 57.28 3hx2 n SER 3 Cb 0.58 0.00 -0.06 0.00 -0.75 0.00 0.00 64.21 63.98 3hx2 n SER 3 CO 0.00 0.00 0.00 1.67 -1.23 0.00 0.00 175.04 175.48 3hx2 n GLN 4 N -0.66 2.63 -0.00 -1.46 7.27 -1.26 -4.66 117.38 119.24 3hx2 n GLN 4 Ca 0.00 -0.01 0.08 0.00 0.07 0.00 0.00 57.00 57.14 3hx2 n GLN 4 Cb 0.00 -1.19 -0.11 0.00 2.41 0.00 0.00 30.24 31.35 3hx2 n GLN 4 CO 0.00 0.00 0.00 0.44 0.07 0.00 0.00 177.06 177.57 3hx2 n ILE 5 N -2.24 0.00 -1.64 1.69 -5.35 -1.26 -5.01 119.36 105.56 3hx2 n ILE 5 Ca -0.11 -0.25 -0.47 0.00 -0.27 0.00 0.00 62.75 61.65 3hx2 n ILE 5 Cb 0.70 0.56 -0.04 0.00 -1.74 0.00 0.00 39.64 39.12 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 -1.74 1.71 -3.53 6.28 0.63 -1.24 -4.87 116.66 113.90 3hx2 n ARG 6 Ca 0.00 0.61 0.00 0.00 -0.92 0.00 0.00 57.85 57.55 3hx2 n ARG 6 Cb 0.35 -2.27 -0.04 0.00 0.45 0.00 0.00 32.46 30.96 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 0.16 0.49 -1.38 -0.14 0.74 -1.26 -4.94 119.66 113.33 3hx2 s GLN 7 Ca 0.76 1.20 -0.01 0.00 0.05 0.00 0.00 55.36 57.36 3hx2 s GLN 7 Cb -0.76 0.72 0.00 0.00 1.10 0.00 0.00 33.01 34.07 3hx2 s GLN 7 CO 0.46 -0.21 0.10 -1.71 -0.55 0.00 0.00 175.29 173.38 3hx2 n ASN 8 N 5.33 -4.97 -4.13 6.67 5.15 -1.26 -4.98 115.26 117.06 3hx2 n ASN 8 Ca -0.10 -0.06 -0.34 0.00 -0.60 0.00 0.00 54.58 53.48 3hx2 n ASN 8 Cb 0.50 -4.02 -0.14 0.00 -0.53 0.00 0.00 39.78 35.59 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 -2.87 3.35 0.52 1.20 5.04 -1.26 -4.84 117.35 118.49 3hx2 s TYR 9 Ca 0.05 -2.14 -0.20 0.00 -2.44 0.00 0.00 57.07 52.34 3hx2 s TYR 9 Cb -0.02 -2.29 -0.07 0.00 0.35 0.00 0.00 41.96 39.93 3hx2 s TYR 9 CO 0.06 -0.85 1.07 -1.54 -1.34 0.00 0.00 175.55 172.95 3hx2 s SER 10 N 1.26 6.05 0.43 4.32 1.04 -1.26 -4.93 113.70 120.61 3hx2 s SER 10 Ca -0.03 2.01 0.21 0.00 0.48 0.00 0.00 55.95 58.63 3hx2 s SER 10 Cb -0.20 -2.57 0.98 0.00 0.10 0.00 0.00 66.02 64.34 3hx2 s SER 10 CO -0.03 -0.99 1.88 0.71 0.98 0.00 0.00 173.24 175.79 3hx2 h THR 11 N 1.32 0.80 0.25 2.02 1.35 -1.99 -1.73 112.91 114.93 3hx2 h THR 11 Ca -0.49 -1.07 -0.01 0.00 -0.55 0.00 0.00 66.41 64.28 3hx2 h THR 11 Cb 1.24 1.66 0.00 0.00 -1.73 0.00 0.00 68.15 69.32 3hx2 h THR 11 CO 0.58 0.26 -0.12 0.44 -0.25 0.00 0.00 175.52 176.43 3hx2 h ASP 12 N 0.00 -0.29 -0.27 5.36 3.32 -1.99 -1.84 116.42 120.71 3hx2 h ASP 12 Ca -0.00 -0.02 -0.02 0.00 0.02 0.00 0.00 57.03 57.01 3hx2 h ASP 12 Cb 0.64 0.07 -0.01 0.00 0.22 0.00 0.00 39.33 40.25 3hx2 h ASP 12 CO 0.03 -0.17 0.11 0.58 -1.72 0.00 0.00 179.24 178.07 3hx2 h VAL 13 N -0.38 1.17 -0.76 -1.35 2.07 -1.88 -1.62 116.25 113.51 3hx2 h VAL 13 Ca -0.03 -0.52 0.15 0.00 0.82 0.00 0.00 66.70 67.12 3hx2 h VAL 13 Cb 0.29 1.01 -0.10 0.00 -1.52 0.00 0.00 31.29 30.97 3hx2 h VAL 13 CO 0.06 0.18 0.27 -0.08 0.02 0.00 0.00 177.57 178.01 3hx2 h GLU 14 N 0.29 0.37 -0.00 1.57 4.81 -1.22 0.27 114.58 120.67 3hx2 h GLU 14 Ca 0.09 -0.02 -0.15 0.00 -0.13 0.00 0.00 59.36 59.15 3hx2 h GLU 14 Cb 0.18 -0.08 -0.02 0.00 0.63 0.00 0.00 28.75 29.45 3hx2 h GLU 14 CO -0.01 0.24 -0.72 0.00 -0.73 0.00 0.00 179.01 177.80 3hx2 h ALA 15 N 1.58 0.81 -0.11 2.92 0.00 -1.17 -2.88 119.26 120.41 3hx2 h ALA 15 Ca 0.43 -0.65 -0.22 0.00 0.00 0.00 0.00 54.91 54.47 3hx2 h ALA 15 Cb 0.69 -0.11 0.01 0.00 0.00 0.00 0.00 17.79 18.38 3hx2 h ALA 15 CO -0.45 0.89 -0.82 0.00 0.00 0.00 0.00 179.25 178.87 3hx2 h ALA 16 N 1.26 0.35 -0.52 0.00 0.00 -0.07 -2.41 119.26 117.87 3hx2 h ALA 16 Ca -0.01 -0.62 0.00 0.00 0.00 0.00 0.00 54.91 54.28 3hx2 h ALA 16 Cb 1.27 -0.01 -0.03 0.00 0.00 0.00 0.00 17.79 19.02 3hx2 h ALA 16 CO 0.10 0.71 0.34 0.28 0.00 0.00 0.00 179.25 180.68 3hx2 h VAL 17 N 0.45 1.13 -0.42 0.00 2.07 -0.56 -0.09 116.25 118.83 3hx2 h VAL 17 Ca -0.06 -0.25 0.01 0.00 0.82 0.00 0.00 66.70 67.22 3hx2 h VAL 17 Cb 1.44 0.38 -0.02 0.00 -1.52 0.00 0.00 31.29 31.56 3hx2 h VAL 17 CO 0.16 0.13 0.27 0.78 0.02 0.00 0.00 177.57 178.93 3hx2 h ASN 18 N 0.70 0.45 0.42 0.57 2.35 -1.46 -0.29 115.58 118.32 3hx2 h ASN 18 Ca 0.19 -0.01 -0.09 0.00 -0.55 0.00 0.00 56.30 55.85 3hx2 h ASN 18 Cb -0.08 -0.10 -0.01 0.00 0.05 0.00 0.00 38.32 38.18 3hx2 h ASN 18 CO -0.04 0.32 -0.41 -1.28 -1.65 0.00 0.00 177.43 174.37 3hx2 h SER 19 N 0.54 0.00 0.59 5.81 0.87 -1.05 -1.86 113.55 118.46 3hx2 h SER 19 Ca 0.16 0.00 -0.12 0.00 -1.23 0.00 0.00 61.79 60.60 3hx2 h SER 19 Cb -0.03 0.00 -0.02 0.00 -0.44 0.00 0.00 62.40 61.91 3hx2 h SER 19 CO -0.05 0.41 -0.58 0.25 -0.53 0.00 0.00 176.83 176.33 3hx2 h LEU 20 N 0.00 0.00 -0.33 2.23 5.85 -0.39 -1.24 115.31 121.43 3hx2 h LEU 20 Ca -0.00 0.00 -0.06 0.00 0.84 0.00 0.00 57.88 58.65 3hx2 h LEU 20 Cb 0.74 0.00 -0.01 0.00 0.37 0.00 0.00 40.66 41.76 3hx2 h LEU 20 CO 0.05 0.58 -0.04 0.58 -0.34 0.00 0.00 178.44 179.28 3hx2 h VAL 21 N 0.00 1.27 -0.75 1.05 2.07 -0.32 -1.52 116.25 118.04 3hx2 h VAL 21 Ca -0.01 -1.04 -0.01 0.00 0.82 0.00 0.00 66.70 66.46 3hx2 h VAL 21 Cb 1.04 1.29 -0.04 0.00 -1.52 0.00 0.00 31.29 32.06 3hx2 h VAL 21 CO 0.08 0.34 0.42 -1.13 0.02 0.00 0.00 177.57 177.30 3hx2 h ASN 22 N 0.40 0.92 -0.77 0.57 -0.73 -1.08 0.07 115.58 114.97 3hx2 h ASN 22 Ca 0.09 -0.07 -0.05 0.00 1.87 0.00 0.00 56.30 58.14 3hx2 h ASN 22 Cb 0.51 -0.23 -0.03 0.00 0.27 0.00 0.00 38.32 38.83 3hx2 h ASN 22 CO 0.02 0.74 0.29 0.25 -0.37 0.00 0.00 177.43 178.36 3hx2 h LEU 23 N 1.05 1.08 -0.42 0.34 5.85 -0.89 -0.38 115.31 121.94 3hx2 h LEU 23 Ca 0.27 -0.18 -0.18 0.00 0.84 0.00 0.00 57.88 58.63 3hx2 h LEU 23 Cb 0.01 -0.28 -0.01 0.00 0.37 0.00 0.00 40.66 40.75 3hx2 h LEU 23 CO -0.05 0.97 -0.76 1.88 -0.34 0.00 0.00 178.44 180.15 3hx2 h TYR 24 N 1.13 0.36 -0.65 1.25 -1.99 -0.68 -1.12 116.97 115.27 3hx2 h TYR 24 Ca 0.26 -0.17 -0.06 0.00 2.00 0.00 0.00 58.73 60.76 3hx2 h TYR 24 Cb 0.24 -0.05 -0.03 0.00 2.00 0.00 0.00 36.73 38.89 3hx2 h TYR 24 CO 0.02 0.92 0.18 -0.07 -0.00 0.00 0.00 178.16 179.21 3hx2 h LEU 25 N 0.17 0.97 -0.32 3.88 3.38 -0.68 0.17 115.31 122.89 3hx2 h LEU 25 Ca -0.03 -0.22 -0.04 0.00 0.09 0.00 0.00 57.88 57.68 3hx2 h LEU 25 Cb 1.34 -0.25 -0.01 0.00 0.09 0.00 0.00 40.66 41.82 3hx2 h LEU 25 CO 0.12 0.94 0.04 -0.61 0.09 0.00 0.00 178.44 179.02 3hx2 h GLN 26 N 0.95 0.53 -0.42 1.13 4.15 -0.98 -1.45 115.11 119.02 3hx2 h GLN 26 Ca 0.21 -0.15 -0.02 0.00 0.77 0.00 0.00 58.65 59.46 3hx2 h GLN 26 Cb 0.33 -0.06 -0.02 0.00 0.21 0.00 0.00 27.48 27.95 3hx2 h GLN 26 CO -0.00 0.63 0.18 0.00 -1.93 0.00 0.00 178.83 177.71 3hx2 h ALA 27 N 0.88 0.55 -0.81 3.38 0.00 -0.95 -1.40 119.26 120.90 3hx2 h ALA 27 Ca 0.09 -0.13 0.07 0.00 0.00 0.00 0.00 54.91 54.94 3hx2 h ALA 27 Cb 0.36 -0.17 -0.06 0.00 0.00 0.00 0.00 17.79 17.92 3hx2 h ALA 27 CO 0.01 0.14 0.48 1.03 0.00 0.00 0.00 179.25 180.91 3hx2 h SER 28 N 0.54 0.73 0.05 0.00 0.87 -0.48 -0.92 113.55 114.35 3hx2 h SER 28 Ca 0.14 0.03 -0.00 0.00 -1.23 0.00 0.00 61.79 60.73 3hx2 h SER 28 Cb 0.17 -0.12 0.00 0.00 -0.44 0.00 0.00 62.40 62.01 3hx2 h SER 28 CO -0.01 0.46 -0.02 0.22 -0.53 0.00 0.00 176.83 176.94 3hx2 h TYR 29 N 0.86 -0.06 -0.57 2.24 3.20 -0.86 -1.78 116.97 120.00 3hx2 h TYR 29 Ca 0.36 -0.00 0.08 0.00 3.14 0.00 0.00 58.73 62.31 3hx2 h TYR 29 Cb 0.22 0.02 -0.06 0.00 1.54 0.00 0.00 36.73 38.45 3hx2 h TYR 29 CO -0.05 0.07 0.23 1.15 -1.64 0.00 0.00 178.16 177.92 3hx2 h THR 30 N -0.18 0.82 -0.36 1.81 2.02 -0.62 -0.75 112.91 115.65 3hx2 h THR 30 Ca -0.01 -0.15 -0.04 0.00 0.77 0.00 0.00 66.41 66.99 3hx2 h THR 30 Cb 0.16 0.36 -0.02 0.00 -1.74 0.00 0.00 68.15 66.91 3hx2 h THR 30 CO 0.01 0.08 0.07 1.88 0.37 0.00 0.00 175.52 177.92 3hx2 h TYR 31 N 0.42 0.55 -0.71 3.16 0.05 -1.02 -1.11 116.97 118.31 3hx2 h TYR 31 Ca 0.28 -0.04 -0.07 0.00 0.05 0.00 0.00 58.73 58.95 3hx2 h TYR 31 Cb 0.30 -0.17 -0.03 0.00 1.01 0.00 0.00 36.73 37.84 3hx2 h TYR 31 CO -0.15 0.49 0.17 1.25 -1.05 0.00 0.00 178.16 178.88 3hx2 h LEU 32 N 0.53 1.08 -0.78 3.88 5.85 -0.27 0.23 115.31 125.83 3hx2 h LEU 32 Ca 0.12 -0.23 -0.06 0.00 0.84 0.00 0.00 57.88 58.55 3hx2 h LEU 32 Cb 0.24 -0.28 -0.03 0.00 0.37 0.00 0.00 40.66 40.96 3hx2 h LEU 32 CO -0.00 1.03 0.18 -1.28 -0.34 0.00 0.00 178.44 178.03 3hx2 h SER 33 N 1.08 1.04 -0.30 1.25 0.87 -0.48 -1.95 113.55 115.05 3hx2 h SER 33 Ca 0.22 -0.21 -0.07 0.00 -1.23 0.00 0.00 61.79 60.51 3hx2 h SER 33 Cb 0.37 -0.27 -0.01 0.00 -0.44 0.00 0.00 62.40 62.05 3hx2 h SER 33 CO 0.00 0.99 -0.07 -0.07 -0.53 0.00 0.00 176.83 177.15 3hx2 h LEU 34 N 1.05 0.58 0.06 2.23 3.38 -0.68 -1.57 115.31 120.37 3hx2 h LEU 34 Ca 0.22 -0.36 0.02 0.00 0.09 0.00 0.00 57.88 57.85 3hx2 h LEU 34 Cb 0.35 -0.16 -0.03 0.00 0.09 0.00 0.00 40.66 40.91 3hx2 h LEU 34 CO -0.00 0.81 -0.17 1.23 0.09 0.00 0.00 178.44 180.40 3hx2 h GLY 35 N 0.35 -0.28 2.00 0.83 0.00 -0.27 -2.53 103.07 103.17 3hx2 h GLY 35 Ca 0.08 0.20 0.00 0.00 0.00 0.00 0.00 47.33 47.61 3hx2 h GLY 35 CO 0.03 -0.17 0.00 0.74 0.00 0.00 0.00 176.54 177.14 3hx2 h PHE 36 N -0.32 0.00 -0.27 5.60 -1.00 -1.37 -3.04 116.94 116.55 3hx2 h PHE 36 Ca 0.04 0.00 -0.08 0.00 2.81 0.00 0.00 57.97 60.74 3hx2 h PHE 36 Cb 0.35 0.00 -0.01 0.00 3.61 0.00 0.00 35.95 39.91 3hx2 h PHE 36 CO -0.19 0.00 -0.13 -0.92 -1.61 0.00 0.00 178.31 175.46 3hx2 h TYR 37 N 0.00 0.65 0.00 -0.55 3.20 -0.86 -2.99 116.97 116.42 3hx2 h TYR 37 Ca 0.00 -0.16 0.00 0.00 3.14 0.00 0.00 58.73 61.71 3hx2 h TYR 37 Cb 0.59 -0.15 0.00 0.00 1.54 0.00 0.00 36.73 38.71 3hx2 h TYR 37 CO 0.00 0.81 0.00 1.19 -1.64 0.00 0.00 178.16 178.52 3hx2 n PHE 38 N -4.45 0.00 0.45 -3.82 3.72 -1.08 -2.33 117.46 109.96 3hx2 n PHE 38 Ca -0.04 0.00 0.12 0.00 -0.05 0.00 0.00 57.45 57.48 3hx2 n PHE 38 Cb 0.36 -0.32 0.12 0.00 -0.94 0.00 0.00 39.48 38.69 3hx2 n PHE 38 CO 0.00 0.00 0.00 0.22 -0.05 0.00 0.00 176.76 176.93 3hx2 h ASP 39 N 0.00 0.00 -2.62 4.37 -0.00 -1.52 -0.15 116.42 116.51 3hx2 h ASP 39 Ca 0.00 -0.17 -0.59 0.00 -0.00 0.00 0.00 57.03 56.26 3hx2 h ASP 39 Cb 0.24 0.00 0.09 0.00 -0.00 0.00 0.00 39.33 39.66 3hx2 h ASP 39 CO 0.00 0.09 0.48 0.54 -0.00 0.00 0.00 179.24 180.35 3hx2 n ARG 40 N -2.25 1.82 0.18 0.28 1.74 -0.98 -4.63 116.66 112.81 3hx2 n ARG 40 Ca 0.02 0.64 0.11 0.00 -0.77 0.00 0.00 57.85 57.86 3hx2 n ARG 40 Cb 0.47 -2.23 0.61 0.00 -1.02 0.00 0.00 32.46 30.29 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 3.57 0.00 -0.03 0.55 2.03 -1.91 0.34 116.42 120.97 3hx2 h ASP 41 Ca -0.44 0.00 0.00 0.00 -0.73 0.00 0.00 57.03 55.86 3hx2 h ASP 41 Cb 1.30 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 39.80 3hx2 h ASP 41 CO 0.71 0.00 -0.08 -0.90 -1.03 0.00 0.00 179.24 177.94 3hx2 n ASP 42 N -2.30 2.83 -0.02 4.15 3.85 -1.26 -4.41 116.55 119.38 3hx2 n ASP 42 Ca -0.01 -1.91 -0.05 0.00 -0.71 0.00 0.00 54.79 52.10 3hx2 n ASP 42 Cb 0.08 0.08 -0.02 0.00 -1.35 0.00 0.00 41.12 39.91 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 1.12 0.27 -4.00 2.12 0.31 -0.24 -5.07 118.33 112.84 3hx2 n VAL 43 Ca 0.13 -0.08 -0.40 0.00 -0.01 0.00 0.00 64.34 63.98 3hx2 n VAL 43 Cb 0.57 -1.32 0.01 0.00 -0.91 0.00 0.00 33.84 32.20 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 -3.06 -2.67 -3.60 3.52 0.00 0.10 -4.94 120.51 109.87 3hx2 n ALA 44 Ca -0.09 -0.50 -0.27 0.00 0.00 0.00 0.00 53.44 52.58 3hx2 n ALA 44 Cb 0.57 -1.92 -0.10 0.00 0.00 0.00 0.00 19.45 18.00 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 -4.27 3.08 -0.21 0.00 4.77 -0.07 -4.96 117.00 115.33 3hx2 n LEU 45 Ca -0.18 -5.26 0.01 0.00 -0.03 0.00 0.00 56.01 50.54 3hx2 n LEU 45 Cb 0.60 -0.57 0.09 0.00 -2.33 0.00 0.00 43.42 41.21 3hx2 n LEU 45 CO 0.71 1.93 0.80 -0.08 -1.33 0.00 0.00 177.39 179.42 3hx2 h GLU 46 N 4.71 0.07 -0.93 3.23 4.81 -1.93 0.83 114.58 125.38 3hx2 h GLU 46 Ca 0.18 -0.00 0.02 0.00 -0.13 0.00 0.00 59.36 59.43 3hx2 h GLU 46 Cb 0.72 -0.02 -0.05 0.00 0.63 0.00 0.00 28.75 30.03 3hx2 h GLU 46 CO 0.75 0.04 0.61 0.78 -0.73 0.00 0.00 179.01 180.46 3hx2 h GLY 47 N 0.07 1.33 1.40 1.92 0.00 -1.94 0.29 103.07 106.13 3hx2 h GLY 47 Ca 0.32 -0.47 -0.22 0.00 0.00 0.00 0.00 47.33 46.96 3hx2 h GLY 47 CO -0.58 0.43 -0.85 -2.08 0.00 0.00 0.00 176.54 173.46 3hx2 h VAL 48 N 1.21 1.34 -0.14 4.60 2.07 -1.74 -2.16 116.25 121.41 3hx2 h VAL 48 Ca 0.36 -2.18 0.00 0.00 0.82 0.00 0.00 66.70 65.69 3hx2 h VAL 48 Cb -0.06 2.19 -0.01 0.00 -1.52 0.00 0.00 31.29 31.89 3hx2 h VAL 48 CO -0.10 0.67 0.09 -1.28 0.02 0.00 0.00 177.57 176.97 3hx2 h SER 49 N 0.36 0.16 -0.82 0.57 0.87 -0.37 -1.83 113.55 112.50 3hx2 h SER 49 Ca -0.07 -0.02 -0.01 0.00 -1.23 0.00 0.00 61.79 60.46 3hx2 h SER 49 Cb 1.47 -0.04 -0.04 0.00 -0.44 0.00 0.00 62.40 63.35 3hx2 h SER 49 CO 0.16 0.14 0.46 -0.74 -0.53 0.00 0.00 176.83 176.32 3hx2 h HIS 50 N 0.17 1.11 0.28 2.24 6.17 -0.98 -1.93 115.15 122.22 3hx2 h HIS 50 Ca 0.05 -0.02 0.00 0.00 0.71 0.00 0.00 60.37 61.12 3hx2 h HIS 50 Cb 0.00 -0.36 -0.02 0.00 2.52 0.00 0.00 27.41 29.55 3hx2 h HIS 50 CO -0.06 0.76 -0.32 0.35 0.71 0.00 0.00 177.93 179.37 3hx2 h PHE 51 N 1.13 -0.86 -0.05 5.26 3.57 -0.95 -1.46 116.94 123.58 3hx2 h PHE 51 Ca 0.29 0.01 -0.08 0.00 3.53 0.00 0.00 57.97 61.72 3hx2 h PHE 51 Cb 0.00 0.34 -0.01 0.00 2.79 0.00 0.00 35.95 39.07 3hx2 h PHE 51 CO 0.00 -0.45 -0.32 0.74 -2.23 0.00 0.00 178.31 176.06 3hx2 h PHE 52 N -0.64 0.11 -0.27 0.41 0.05 -1.26 -2.67 116.94 112.67 3hx2 h PHE 52 Ca -0.01 -0.02 -0.11 0.00 3.82 0.00 0.00 57.97 61.65 3hx2 h PHE 52 Cb 0.60 -0.03 -0.01 0.00 2.00 0.00 0.00 35.95 38.51 3hx2 h PHE 52 CO -0.21 0.41 -0.29 0.00 -0.18 0.00 0.00 178.31 178.04 3hx2 h ARG 53 N 0.09 0.54 -0.26 1.51 3.08 -1.06 -0.24 114.38 118.04 3hx2 h ARG 53 Ca 0.01 -0.22 -0.11 0.00 0.07 0.00 0.00 59.98 59.73 3hx2 h ARG 53 Cb 0.61 -0.02 -0.01 0.00 0.08 0.00 0.00 29.97 30.62 3hx2 h ARG 53 CO 0.04 0.77 -0.29 0.93 -1.07 0.00 0.00 179.97 180.36 3hx2 h GLU 54 N 0.47 0.52 -0.13 0.04 5.08 -0.97 -2.33 114.58 117.25 3hx2 h GLU 54 Ca 0.06 -0.21 -0.12 0.00 -1.00 0.00 0.00 59.36 58.09 3hx2 h GLU 54 Cb 0.74 -0.02 -0.01 0.00 0.50 0.00 0.00 28.75 29.96 3hx2 h GLU 54 CO 0.06 0.75 -0.45 -0.07 -1.00 0.00 0.00 179.01 178.30 3hx2 h LEU 55 N 0.45 0.34 -0.75 1.33 3.38 -1.12 -0.12 115.31 118.82 3hx2 h LEU 55 Ca 0.06 -0.16 -0.04 0.00 0.09 0.00 0.00 57.88 57.83 3hx2 h LEU 55 Cb 0.73 -0.10 -0.03 0.00 0.09 0.00 0.00 40.66 41.35 3hx2 h LEU 55 CO 0.06 0.75 0.30 0.00 0.09 0.00 0.00 178.44 179.63 3hx2 h ALA 56 N 1.26 0.97 -0.00 1.53 0.00 -0.59 -1.26 119.26 121.17 3hx2 h ALA 56 Ca 0.02 -0.19 -0.17 0.00 0.00 0.00 0.00 54.91 54.57 3hx2 h ALA 56 Cb 0.90 -0.29 -0.02 0.00 0.00 0.00 0.00 17.79 18.38 3hx2 h ALA 56 CO 0.07 0.60 -0.77 1.49 0.00 0.00 0.00 179.25 180.65 3hx2 h GLU 57 N 1.08 0.06 -0.62 0.00 4.57 -1.11 -2.18 114.58 116.38 3hx2 h GLU 57 Ca 0.25 -0.06 -0.08 0.00 -1.18 0.00 0.00 59.36 58.29 3hx2 h GLU 57 Cb 0.22 0.01 -0.02 0.00 -0.16 0.00 0.00 28.75 28.80 3hx2 h GLU 57 CO -0.02 0.79 0.08 0.93 -1.18 0.00 0.00 179.01 179.62 3hx2 h GLU 58 N 0.04 1.03 -0.31 1.92 5.08 -0.60 -1.41 114.58 120.34 3hx2 h GLU 58 Ca -0.02 -0.29 -0.11 0.00 -1.00 0.00 0.00 59.36 57.95 3hx2 h GLU 58 Cb 1.35 -0.12 -0.01 0.00 0.50 0.00 0.00 28.75 30.47 3hx2 h GLU 58 CO 0.10 0.97 -0.26 0.87 -1.00 0.00 0.00 179.01 179.69 3hx2 h LYS 59 N 0.94 0.62 -0.38 2.33 1.79 -1.16 -1.79 116.57 118.92 3hx2 h LYS 59 Ca 0.18 -0.26 0.00 0.00 -2.18 0.00 0.00 60.65 58.40 3hx2 h LYS 59 Cb 0.45 -0.03 -0.02 0.00 -1.58 0.00 0.00 32.23 31.06 3hx2 h LYS 59 CO 0.02 0.83 0.25 -0.09 -1.08 0.00 0.00 179.45 179.37 3hx2 h ARG 60 N 0.54 0.50 0.00 3.15 2.43 -0.99 0.15 114.38 120.16 3hx2 h ARG 60 Ca 0.07 -0.03 -0.01 0.00 -0.81 0.00 0.00 59.98 59.20 3hx2 h ARG 60 Cb 0.74 -0.11 -0.00 0.00 -0.42 0.00 0.00 29.97 30.17 3hx2 h ARG 60 CO 0.06 0.34 -0.07 0.93 -1.51 0.00 0.00 179.97 179.72 3hx2 h GLU 61 N 0.51 0.00 0.57 0.20 5.08 -1.00 -2.37 114.58 117.58 3hx2 h GLU 61 Ca 0.14 0.00 -0.03 0.00 -1.00 0.00 0.00 59.36 58.47 3hx2 h GLU 61 Cb -0.05 0.00 0.01 0.00 0.50 0.00 0.00 28.75 29.21 3hx2 h GLU 61 CO -0.03 0.07 -0.28 0.78 -1.00 0.00 0.00 179.01 178.55 3hx2 h GLY 62 N 1.05 -0.81 2.00 -3.84 0.00 -0.10 -2.23 103.07 99.15 3hx2 h GLY 62 Ca -0.00 0.30 -0.02 0.00 0.00 0.00 0.00 47.33 47.60 3hx2 h GLY 62 CO 0.01 -0.29 -0.12 0.10 0.00 0.00 0.00 176.54 176.24 3hx2 h TYR 63 N -1.16 0.00 -0.32 5.60 -0.00 -1.31 -1.74 116.97 118.04 3hx2 h TYR 63 Ca -0.08 0.00 -0.12 0.00 0.00 0.00 0.00 58.73 58.53 3hx2 h TYR 63 Cb 0.59 0.00 -0.01 0.00 0.00 0.00 0.00 36.73 37.32 3hx2 h TYR 63 CO 0.01 0.12 -0.26 0.93 -0.00 0.00 0.00 178.16 178.95 3hx2 h GLU 64 N 0.00 0.74 -0.17 0.10 5.08 -1.45 0.43 114.58 119.32 3hx2 h GLU 64 Ca -0.00 -0.37 -0.08 0.00 -1.00 0.00 0.00 59.36 57.90 3hx2 h GLU 64 Cb 0.36 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.60 3hx2 h GLU 64 CO 0.02 0.99 -0.27 -0.09 -1.00 0.00 0.00 179.01 178.66 3hx2 h ARG 65 N 0.51 0.32 -0.19 2.33 2.43 -0.80 -0.87 114.38 118.10 3hx2 h ARG 65 Ca 0.06 -0.11 -0.06 0.00 -0.81 0.00 0.00 59.98 59.05 3hx2 h ARG 65 Cb 0.83 -0.02 -0.00 0.00 -0.42 0.00 0.00 29.97 30.35 3hx2 h ARG 65 CO 0.07 0.56 -0.13 -0.07 -1.51 0.00 0.00 179.97 178.89 3hx2 h LEU 66 N 0.28 0.45 -0.97 3.80 3.38 -1.11 -1.70 115.31 119.44 3hx2 h LEU 66 Ca 0.04 -0.44 -0.08 0.00 0.09 0.00 0.00 57.88 57.50 3hx2 h LEU 66 Cb 0.62 -0.12 -0.02 0.00 0.09 0.00 0.00 40.66 41.23 3hx2 h LEU 66 CO 0.04 0.79 -0.11 -0.07 0.09 0.00 0.00 178.44 179.19 3hx2 h LEU 67 N 0.11 0.61 -0.40 1.67 3.38 -0.71 0.57 115.31 120.54 3hx2 h LEU 67 Ca 0.04 -0.16 -0.04 0.00 0.09 0.00 0.00 57.88 57.81 3hx2 h LEU 67 Cb 0.64 -0.16 -0.02 0.00 0.09 0.00 0.00 40.66 41.21 3hx2 h LEU 67 CO 0.04 0.75 0.09 0.50 0.09 0.00 0.00 178.44 179.91 3hx2 h LYS 68 N 0.57 0.63 -0.51 1.13 3.64 -1.13 -2.24 116.57 118.67 3hx2 h LYS 68 Ca 0.10 -0.15 -0.02 0.00 -1.27 0.00 0.00 60.65 59.31 3hx2 h LYS 68 Cb 0.52 -0.08 -0.02 0.00 -0.41 0.00 0.00 32.23 32.24 3hx2 h LYS 68 CO 0.03 0.66 0.22 1.98 -2.27 0.00 0.00 179.45 180.08 3hx2 h MET 69 N 0.50 0.75 -0.49 1.90 4.05 -0.97 -2.14 114.93 118.53 3hx2 h MET 69 Ca 0.12 -0.12 0.08 0.00 -0.28 0.00 0.00 59.70 59.50 3hx2 h MET 69 Cb 0.31 -0.13 -0.07 0.00 -0.80 0.00 0.00 31.60 30.92 3hx2 h MET 69 CO 0.00 0.65 0.11 0.37 0.23 0.00 0.00 176.91 178.27 3hx2 h GLN 70 N 0.68 0.24 -0.42 0.39 5.75 -0.63 -1.92 115.11 119.21 3hx2 h GLN 70 Ca 0.17 -0.01 -0.12 0.00 -0.15 0.00 0.00 58.65 58.53 3hx2 h GLN 70 Cb 0.16 -0.05 -0.01 0.00 1.07 0.00 0.00 27.48 28.65 3hx2 h GLN 70 CO -0.02 0.16 -0.23 -0.91 -2.65 0.00 0.00 178.83 175.19 3hx2 h ASN 71 N 0.25 0.92 0.01 -0.69 2.35 -1.21 0.11 115.58 117.32 3hx2 h ASN 71 Ca 0.25 -0.41 -0.00 0.00 -0.55 0.00 0.00 56.30 55.58 3hx2 h ASN 71 Cb 0.32 -0.25 -0.00 0.00 0.05 0.00 0.00 38.32 38.44 3hx2 h ASN 71 CO -0.31 1.13 -0.01 1.56 -1.65 0.00 0.00 177.43 178.15 3hx2 h GLN 72 N 0.71 0.00 0.00 0.81 4.20 -0.84 -1.03 115.11 118.96 3hx2 h GLN 72 Ca 0.09 0.00 -0.02 0.00 0.06 0.00 0.00 58.65 58.78 3hx2 h GLN 72 Cb 0.80 0.00 -0.00 0.00 0.30 0.00 0.00 27.48 28.57 3hx2 h GLN 72 CO 0.07 0.01 -0.62 0.00 -0.67 0.00 0.00 178.83 177.61 3hx2 h ARG 73 N 0.00 0.00 0.00 1.46 2.47 -1.26 -3.48 114.38 113.58 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 0.01 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 28.33 3hx2 h ARG 73 CO 0.00 0.04 0.00 0.41 0.56 0.00 0.00 179.97 180.98 3hx2 n GLY 74 N 1.17 1.12 3.91 0.04 0.00 -0.39 -3.72 105.19 107.32 3hx2 n GLY 74 Ca 0.01 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.76 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 -2.00 1.48 -0.17 -0.02 0.00 0.34 -4.60 107.32 102.35 3hx2 s GLY 75 Ca 0.00 -0.55 -0.02 0.00 0.00 0.00 0.00 44.72 44.15 3hx2 s GLY 75 CO 0.00 -0.40 -0.09 0.50 0.00 0.00 0.00 173.10 173.12 3hx2 s ARG 76 N -4.68 3.41 0.26 2.90 1.81 -1.26 -4.14 118.95 117.25 3hx2 s ARG 76 Ca 0.46 -0.64 -0.29 0.00 -1.72 0.00 0.00 55.73 53.54 3hx2 s ARG 76 Cb -0.10 -2.82 -0.09 0.00 -0.45 0.00 0.00 34.95 31.49 3hx2 s ARG 76 CO 0.44 0.04 1.22 0.00 -0.68 0.00 0.00 175.30 176.32 3hx2 s ALA 77 N 0.83 3.46 -0.13 2.13 0.00 -1.26 -5.00 121.76 121.79 3hx2 s ALA 77 Ca -0.03 1.06 -0.00 0.00 0.00 0.00 0.00 51.96 52.99 3hx2 s ALA 77 Cb -0.15 -3.42 0.03 0.00 0.00 0.00 0.00 23.12 19.58 3hx2 s ALA 77 CO 0.01 -0.42 -0.08 -0.51 0.00 0.00 0.00 175.76 174.76 3hx2 s LEU 78 N -1.09 1.40 0.15 0.00 1.43 -1.26 -5.13 118.68 114.17 3hx2 s LEU 78 Ca 0.50 -0.44 -0.02 0.00 -1.03 0.00 0.00 54.13 53.13 3hx2 s LEU 78 Cb -0.35 -0.91 -0.05 0.00 0.03 0.00 0.00 46.19 44.90 3hx2 s LEU 78 CO 0.43 -0.13 0.35 -0.36 0.23 0.00 0.00 176.35 176.87 3hx2 s PHE 79 N 1.65 3.49 0.35 0.29 0.08 -1.26 -4.87 117.98 117.71 3hx2 s PHE 79 Ca 0.04 0.41 0.04 0.00 0.12 0.00 0.00 56.93 57.54 3hx2 s PHE 79 Cb -0.13 -1.90 -0.03 0.00 -0.57 0.00 0.00 43.02 40.38 3hx2 s PHE 79 CO -0.08 0.44 0.15 -0.65 -0.10 0.00 0.00 175.22 174.98 3hx2 s GLN 80 N -2.88 1.75 0.63 0.44 -1.52 -1.26 -5.13 119.66 111.68 3hx2 s GLN 80 Ca 0.39 -2.03 -0.19 0.00 -1.95 0.00 0.00 55.36 51.59 3hx2 s GLN 80 Cb -0.12 -0.30 -0.02 0.00 -0.22 0.00 0.00 33.01 32.35 3hx2 s GLN 80 CO 0.27 -0.47 1.30 -0.51 -0.25 0.00 0.00 175.29 175.63 3hx2 s ASP 81 N -3.47 4.75 -0.42 5.90 -0.00 -1.26 -4.97 116.67 117.19 3hx2 s ASP 81 Ca 0.32 2.63 -0.12 0.00 -0.00 0.00 0.00 52.55 55.38 3hx2 s ASP 81 Cb 0.04 -2.62 0.06 0.00 -0.00 0.00 0.00 42.92 40.40 3hx2 s ASP 81 CO 0.17 -1.91 0.29 -0.63 -0.00 0.00 0.00 175.17 173.09 3hx2 s ILE 82 N -1.39 4.63 0.26 0.77 1.01 -1.26 -5.05 121.20 120.17 3hx2 s ILE 82 Ca 0.81 -1.15 -0.30 0.00 0.00 0.00 0.00 60.65 60.00 3hx2 s ILE 82 Cb -0.38 -3.75 -0.10 0.00 0.01 0.00 0.00 42.46 38.24 3hx2 s ILE 82 CO 0.41 -0.46 1.49 -0.75 0.00 0.00 0.00 174.94 175.63 3hx2 s LYS 83 N 1.53 4.22 0.95 2.79 2.36 -1.26 -4.98 119.74 125.35 3hx2 s LYS 83 Ca 0.03 2.39 -0.10 0.00 -2.55 0.00 0.00 55.97 55.73 3hx2 s LYS 83 Cb -0.22 -3.09 0.17 0.00 -1.05 0.00 0.00 37.83 33.64 3hx2 s LYS 83 CO 0.05 -0.49 1.13 -1.59 1.55 0.00 0.00 175.35 175.99 3hx2 s LYS 84 N -0.34 0.73 0.46 4.03 -2.85 -1.26 -4.87 119.74 115.65 3hx2 s LYS 84 Ca 0.61 1.44 -0.25 0.00 -1.00 0.00 0.00 55.97 56.78 3hx2 s LYS 84 Cb -0.44 -1.70 -0.08 0.00 -2.06 0.00 0.00 37.83 33.55 3hx2 s LYS 84 CO 0.44 -2.79 1.44 -2.14 0.10 0.00 0.00 175.35 172.39 3hx2 s PRO 85 N -4.62 3.60 0.66 1.78 0.02 -1.26 -4.87 135.00 130.31 3hx2 s PRO 85 Ca 0.67 2.43 0.39 0.00 0.02 0.00 0.00 61.00 64.51 3hx2 s PRO 85 Cb -0.23 -2.61 2.11 0.00 0.02 0.00 0.00 34.50 33.79 3hx2 s PRO 85 CO 0.59 -0.89 2.20 0.00 -0.33 0.00 0.00 177.00 178.57 3hx2 h ALA 86 N 2.21 1.17 -2.10 -1.55 0.00 -1.97 -3.43 119.26 113.57 3hx2 h ALA 86 Ca -0.51 -0.00 -0.44 0.00 0.00 0.00 0.00 54.91 53.96 3hx2 h ALA 86 Cb 1.27 0.00 -0.14 0.00 0.00 0.00 0.00 17.79 18.92 3hx2 h ALA 86 CO 0.61 -0.14 -0.62 -1.21 0.00 0.00 0.00 179.25 177.89 3hx2 s GLU 87 N -4.16 1.58 -0.10 0.00 0.41 -1.26 -5.04 118.70 110.13 3hx2 s GLU 87 Ca -0.04 -1.86 0.04 0.00 -0.41 0.00 0.00 54.97 52.69 3hx2 s GLU 87 Cb 0.12 -0.75 -0.08 0.00 -1.78 0.00 0.00 34.13 31.63 3hx2 s GLU 87 CO 0.37 -0.19 -0.04 -0.25 -0.49 0.00 0.00 175.26 174.65 3hx2 n ASP 88 N -0.62 3.06 -4.16 -0.19 8.00 -1.26 -4.99 116.55 116.39 3hx2 n ASP 88 Ca -0.02 -0.03 -0.23 0.00 0.71 0.00 0.00 54.79 55.21 3hx2 n ASP 88 Cb 0.66 0.19 -0.15 0.00 -0.02 0.00 0.00 41.12 41.80 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 -2.21 1.23 -0.03 -1.24 2.02 -1.26 -4.99 118.70 112.21 3hx2 s GLU 89 Ca -0.10 -0.66 0.14 0.00 0.02 0.00 0.00 54.97 54.36 3hx2 s GLU 89 Cb 0.03 -1.22 0.43 0.00 0.10 0.00 0.00 34.13 33.47 3hx2 s GLU 89 CO 0.29 0.33 1.36 0.91 0.02 0.00 0.00 175.26 178.16 3hx2 n TRP 90 N 2.39 0.71 -3.09 1.61 7.02 -1.26 -5.08 117.44 119.74 3hx2 n TRP 90 Ca -0.16 -0.56 0.00 0.00 -1.02 0.00 0.00 57.50 55.76 3hx2 n TRP 90 Cb 0.54 -0.08 0.00 0.00 -2.42 0.00 0.00 31.31 29.35 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 0.62 2.28 3.98 6.99 0.00 -1.26 -3.72 105.19 114.08 3hx2 n GLY 91 Ca 0.16 -0.46 -0.20 0.00 0.00 0.00 0.00 46.02 45.52 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 3.17 0.18 1.61 1.02 -1.26 -4.92 119.74 119.54 3hx2 s LYS 92 Ca 0.00 -0.84 -0.16 0.00 0.02 0.00 0.00 55.97 54.98 3hx2 s LYS 92 Cb 0.00 -2.77 0.16 0.00 -0.52 0.00 0.00 37.83 34.70 3hx2 s LYS 92 CO 0.00 0.06 1.28 2.41 -0.92 0.00 0.00 175.35 178.17 3hx2 n THR 93 N -1.70 -0.45 -0.18 2.17 -1.04 -1.26 -1.18 114.28 110.64 3hx2 n THR 93 Ca -0.01 1.94 -0.03 0.00 -2.04 0.00 0.00 64.05 63.91 3hx2 n THR 93 Cb 0.58 -2.54 0.07 0.00 -1.82 0.00 0.00 70.33 66.62 3hx2 n THR 93 CO 0.00 0.00 0.00 -0.65 -0.64 0.00 0.00 175.07 173.78 3hx2 h PRO 94 N 0.00 0.46 -0.68 -2.82 0.11 -1.95 0.12 132.00 127.24 3hx2 h PRO 94 Ca 0.26 -0.03 0.06 0.00 0.11 0.00 0.00 66.00 66.41 3hx2 h PRO 94 Cb 0.47 -0.10 -0.06 0.00 0.11 0.00 0.00 31.00 31.42 3hx2 h PRO 94 CO -0.81 0.31 0.38 -0.44 -0.21 0.00 0.00 178.00 177.23 3hx2 h ASP 95 N 0.48 0.57 0.38 -2.05 3.45 -1.42 0.98 116.42 118.80 3hx2 h ASP 95 Ca 0.26 0.03 -0.02 0.00 0.43 0.00 0.00 57.03 57.73 3hx2 h ASP 95 Cb 0.22 -0.08 0.00 0.00 -0.56 0.00 0.00 39.33 38.91 3hx2 h ASP 95 CO -0.21 0.36 -0.18 0.00 -1.57 0.00 0.00 179.24 177.64 3hx2 h ALA 96 N 1.35 -0.51 -0.76 3.45 0.00 -0.93 -1.81 119.26 120.05 3hx2 h ALA 96 Ca 0.31 -0.15 0.09 0.00 0.00 0.00 0.00 54.91 55.15 3hx2 h ALA 96 Cb 0.19 0.20 -0.05 0.00 0.00 0.00 0.00 17.79 18.13 3hx2 h ALA 96 CO -0.18 -0.71 0.50 1.98 0.00 0.00 0.00 179.25 180.83 3hx2 h MET 97 N -0.66 0.68 0.03 0.00 -1.53 -0.46 -1.26 114.93 111.73 3hx2 h MET 97 Ca -0.05 -0.04 -0.00 0.00 -3.44 0.00 0.00 59.70 56.17 3hx2 h MET 97 Cb 0.48 -0.15 0.00 0.00 -0.55 0.00 0.00 31.60 31.37 3hx2 h MET 97 CO 0.09 0.45 -0.02 0.87 0.14 0.00 0.00 176.91 178.44 3hx2 h LYS 98 N 0.70 -0.04 -0.91 0.39 1.57 -0.59 0.34 116.57 118.03 3hx2 h LYS 98 Ca 0.34 0.00 0.05 0.00 -1.87 0.00 0.00 60.65 59.17 3hx2 h LYS 98 Cb 0.41 0.01 -0.05 0.00 0.08 0.00 0.00 32.23 32.68 3hx2 h LYS 98 CO -0.12 0.10 0.59 0.00 -0.57 0.00 0.00 179.45 179.44 3hx2 h ALA 99 N 0.79 1.46 -0.04 3.86 0.00 -0.48 0.27 119.26 125.11 3hx2 h ALA 99 Ca -0.00 -0.04 -0.00 0.00 0.00 0.00 0.00 54.91 54.87 3hx2 h ALA 99 Cb 0.16 -0.30 -0.00 0.00 0.00 0.00 0.00 17.79 17.65 3hx2 h ALA 99 CO 0.01 0.44 0.01 0.00 0.00 0.00 0.00 179.25 179.71 3hx2 h ALA 100 N 1.48 0.05 -0.64 0.00 0.00 -0.92 0.18 119.26 119.40 3hx2 h ALA 100 Ca 0.37 -0.12 0.10 0.00 0.00 0.00 0.00 54.91 55.26 3hx2 h ALA 100 Cb 0.08 -0.01 -0.08 0.00 0.00 0.00 0.00 17.79 17.78 3hx2 h ALA 100 CO -0.12 -0.33 0.25 1.98 0.00 0.00 0.00 179.25 181.02 3hx2 h MET 101 N -0.16 0.41 0.02 0.00 -1.53 -0.43 0.11 114.93 113.35 3hx2 h MET 101 Ca 0.01 -0.02 -0.00 0.00 -3.44 0.00 0.00 59.70 56.25 3hx2 h MET 101 Cb 0.24 -0.09 0.00 0.00 -0.55 0.00 0.00 31.60 31.19 3hx2 h MET 101 CO 0.00 0.27 -0.01 0.00 0.14 0.00 0.00 176.91 177.32 3hx2 h ALA 102 N 1.44 -0.02 -0.83 0.39 0.00 -0.61 -1.69 119.26 117.94 3hx2 h ALA 102 Ca 0.33 -0.04 0.05 0.00 0.00 0.00 0.00 54.91 55.25 3hx2 h ALA 102 Cb 0.42 0.01 -0.05 0.00 0.00 0.00 0.00 17.79 18.17 3hx2 h ALA 102 CO -0.32 -0.48 0.54 1.25 0.00 0.00 0.00 179.25 180.25 3hx2 h LEU 103 N -0.10 0.84 -0.28 0.00 5.85 0.23 -1.72 115.31 120.13 3hx2 h LEU 103 Ca -0.00 -0.00 -0.20 0.00 0.84 0.00 0.00 57.88 58.52 3hx2 h LEU 103 Cb 0.09 -0.18 0.00 0.00 0.37 0.00 0.00 40.66 40.94 3hx2 h LEU 103 CO 0.00 0.55 -0.66 -0.33 -0.34 0.00 0.00 178.44 177.66 3hx2 h GLU 104 N 0.96 0.76 -0.39 1.25 4.39 -0.57 -2.55 114.58 118.42 3hx2 h GLU 104 Ca 0.35 -0.55 -0.06 0.00 0.34 0.00 0.00 59.36 59.44 3hx2 h GLU 104 Cb 0.15 0.09 -0.02 0.00 -0.10 0.00 0.00 28.75 28.88 3hx2 h GLU 104 CO -0.12 1.17 -0.01 0.87 -1.16 0.00 0.00 179.01 179.76 3hx2 h LYS 105 N 0.55 0.63 0.06 2.33 1.57 -0.84 -0.24 116.57 120.62 3hx2 h LYS 105 Ca -0.02 -0.15 -0.00 0.00 -1.87 0.00 0.00 60.65 58.61 3hx2 h LYS 105 Cb 1.27 -0.08 0.00 0.00 0.08 0.00 0.00 32.23 33.50 3hx2 h LYS 105 CO 0.14 0.66 -0.03 -0.22 -0.57 0.00 0.00 179.45 179.43 3hx2 h LYS 106 N 0.60 -0.08 -0.46 3.15 3.64 -1.23 0.26 116.57 122.45 3hx2 h LYS 106 Ca 0.12 0.01 -0.02 0.00 -1.27 0.00 0.00 60.65 59.49 3hx2 h LYS 106 Cb 0.39 0.02 -0.02 0.00 -0.41 0.00 0.00 32.23 32.21 3hx2 h LYS 106 CO 0.02 0.06 0.23 -0.07 -2.27 0.00 0.00 179.45 177.42 3hx2 h LEU 107 N -0.20 0.60 -0.75 5.20 3.38 -1.24 -1.54 115.31 120.75 3hx2 h LEU 107 Ca -0.01 -0.12 0.01 0.00 0.09 0.00 0.00 57.88 57.85 3hx2 h LEU 107 Cb 0.17 -0.15 -0.04 0.00 0.09 0.00 0.00 40.66 40.73 3hx2 h LEU 107 CO 0.01 0.55 0.50 -1.13 0.09 0.00 0.00 178.44 178.46 3hx2 h ASN 108 N 0.60 0.85 -0.81 -0.43 -1.24 -0.92 0.35 115.58 113.98 3hx2 h ASN 108 Ca 0.16 -0.02 -0.04 0.00 0.71 0.00 0.00 56.30 57.11 3hx2 h ASN 108 Cb 0.11 -0.21 -0.04 0.00 0.73 0.00 0.00 38.32 38.91 3hx2 h ASN 108 CO -0.02 0.61 0.35 -0.61 -1.29 0.00 0.00 177.43 176.48 3hx2 h GLN 109 N 1.01 1.20 -0.80 6.67 5.75 -0.65 -1.42 115.11 126.85 3hx2 h GLN 109 Ca 0.28 -0.20 -0.01 0.00 -0.15 0.00 0.00 58.65 58.57 3hx2 h GLN 109 Cb -0.10 -0.20 -0.04 0.00 1.07 0.00 0.00 27.48 28.21 3hx2 h GLN 109 CO -0.07 0.95 0.46 0.00 -2.65 0.00 0.00 178.83 177.52 3hx2 h ALA 110 N 1.21 1.03 -0.29 3.38 0.00 -0.24 -0.22 119.26 124.13 3hx2 h ALA 110 Ca 0.28 -0.11 -0.01 0.00 0.00 0.00 0.00 54.91 55.06 3hx2 h ALA 110 Cb 0.17 -0.32 -0.01 0.00 0.00 0.00 0.00 17.79 17.63 3hx2 h ALA 110 CO -0.03 0.52 0.14 -0.07 0.00 0.00 0.00 179.25 179.81 3hx2 h LEU 111 N 1.11 0.37 -0.82 0.00 3.38 -0.36 -0.24 115.31 118.75 3hx2 h LEU 111 Ca 0.29 -0.12 0.00 0.00 0.09 0.00 0.00 57.88 58.14 3hx2 h LEU 111 Cb 0.01 -0.10 -0.04 0.00 0.09 0.00 0.00 40.66 40.62 3hx2 h LEU 111 CO -0.05 0.39 0.53 -0.07 0.09 0.00 0.00 178.44 179.33 3hx2 h LEU 112 N 0.33 0.96 -0.08 1.67 3.38 -0.90 0.22 115.31 120.89 3hx2 h LEU 112 Ca 0.10 -0.04 0.00 0.00 0.09 0.00 0.00 57.88 58.04 3hx2 h LEU 112 Cb 0.11 -0.24 -0.01 0.00 0.09 0.00 0.00 40.66 40.62 3hx2 h LEU 112 CO -0.01 0.71 0.04 0.44 0.09 0.00 0.00 178.44 179.71 3hx2 h ASP 113 N 1.12 0.07 -0.72 -0.43 3.45 -0.65 0.14 116.42 119.39 3hx2 h ASP 113 Ca 0.30 0.00 -0.03 0.00 0.43 0.00 0.00 57.03 57.73 3hx2 h ASP 113 Cb -0.11 -0.01 -0.03 0.00 -0.56 0.00 0.00 39.33 38.61 3hx2 h ASP 113 CO -0.06 0.05 0.34 0.25 -1.57 0.00 0.00 179.24 178.25 3hx2 h LEU 114 N 0.09 0.96 -0.66 1.55 5.85 -0.55 -0.21 115.31 122.35 3hx2 h LEU 114 Ca 0.03 -0.11 -0.06 0.00 0.84 0.00 0.00 57.88 58.58 3hx2 h LEU 114 Cb -0.00 -0.25 -0.03 0.00 0.37 0.00 0.00 40.66 40.75 3hx2 h LEU 114 CO -0.01 0.82 0.18 -0.74 -0.34 0.00 0.00 178.44 178.34 3hx2 h HIS 115 N 1.05 1.08 0.13 1.25 2.76 0.02 0.01 115.15 121.44 3hx2 h HIS 115 Ca 0.25 -0.12 -0.01 0.00 -2.20 0.00 0.00 60.37 58.30 3hx2 h HIS 115 Cb 0.12 -0.31 0.00 0.00 1.55 0.00 0.00 27.41 28.77 3hx2 h HIS 115 CO 0.01 0.89 -0.06 0.00 -1.30 0.00 0.00 177.93 177.47 3hx2 h ALA 116 N 1.07 -0.17 -0.60 5.26 0.00 -0.08 -0.42 119.26 124.33 3hx2 h ALA 116 Ca 0.21 -0.05 0.05 0.00 0.00 0.00 0.00 54.91 55.12 3hx2 h ALA 116 Cb 0.33 0.07 -0.03 0.00 0.00 0.00 0.00 17.79 18.15 3hx2 h ALA 116 CO -0.00 -0.58 0.39 1.25 0.00 0.00 0.00 179.25 180.31 3hx2 h LEU 117 N -0.20 0.55 -0.34 0.00 5.85 -0.80 -1.46 115.31 118.91 3hx2 h LEU 117 Ca -0.02 -0.00 -0.07 0.00 0.84 0.00 0.00 57.88 58.63 3hx2 h LEU 117 Cb 0.15 -0.12 -0.01 0.00 0.37 0.00 0.00 40.66 41.05 3hx2 h LEU 117 CO 0.03 0.37 -0.06 1.23 -0.34 0.00 0.00 178.44 179.67 3hx2 h GLY 118 N 0.63 0.70 1.68 3.75 0.00 -0.35 -1.46 103.07 108.02 3hx2 h GLY 118 Ca 0.25 -0.56 -0.04 0.00 0.00 0.00 0.00 47.33 46.98 3hx2 h GLY 118 CO -0.07 0.51 0.01 1.76 0.00 0.00 0.00 176.54 178.75 3hx2 h SER 119 N 0.44 0.37 -0.22 0.19 0.02 -0.24 0.13 113.55 114.24 3hx2 h SER 119 Ca 0.09 -0.06 -0.08 0.00 -0.84 0.00 0.00 61.79 60.91 3hx2 h SER 119 Cb 0.55 -0.10 -0.00 0.00 0.14 0.00 0.00 62.40 62.99 3hx2 h SER 119 CO 0.03 0.43 -0.16 0.00 -1.14 0.00 0.00 176.83 175.99 3hx2 h ALA 120 N 1.62 0.32 -0.22 3.77 0.00 -1.05 -2.72 119.26 120.98 3hx2 h ALA 120 Ca 0.09 -0.33 0.00 0.00 0.00 0.00 0.00 54.91 54.67 3hx2 h ALA 120 Cb 0.25 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 17.96 3hx2 h ALA 120 CO 0.01 0.21 0.00 0.54 0.00 0.00 0.00 179.25 180.01 3hx2 n ARG 121 N -4.47 2.16 -4.09 0.00 5.12 -0.57 -4.91 116.66 109.90 3hx2 n ARG 121 Ca -0.05 -1.08 -0.44 0.00 -1.93 0.00 0.00 57.85 54.36 3hx2 n ARG 121 Cb 0.37 -1.60 0.01 0.00 -1.16 0.00 0.00 32.46 30.08 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 0.24 -2.33 -3.56 0.55 -2.24 -0.44 -4.92 114.28 101.58 3hx2 n THR 122 Ca 0.10 -0.55 -0.40 0.00 -2.27 0.00 0.00 64.05 60.93 3hx2 n THR 122 Cb 0.48 -1.99 -0.06 0.00 -2.10 0.00 0.00 70.33 66.66 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 -3.67 6.07 0.42 3.42 -1.08 0.33 -4.93 116.67 117.22 3hx2 s ASP 123 Ca 0.43 -3.18 0.09 0.00 -0.52 0.00 0.00 52.55 49.38 3hx2 s ASP 123 Cb -0.24 -2.00 0.88 0.00 -1.46 0.00 0.00 42.92 40.11 3hx2 s ASP 123 CO 0.93 -0.35 2.02 1.55 0.52 0.00 0.00 175.17 179.84 3hx2 h PRO 124 N 6.84 0.37 -0.24 4.34 0.13 -1.91 -2.45 132.00 139.08 3hx2 h PRO 124 Ca 0.09 -0.04 -0.10 0.00 -0.87 0.00 0.00 66.00 65.08 3hx2 h PRO 124 Cb 0.92 -0.07 -0.00 0.00 0.13 0.00 0.00 31.00 31.97 3hx2 h PRO 124 CO 0.80 0.32 -0.25 1.25 -0.23 0.00 0.00 178.00 179.89 3hx2 h HIS 125 N 0.37 0.72 -0.81 1.56 2.76 -1.97 -1.46 115.15 116.31 3hx2 h HIS 125 Ca 0.09 -0.22 -0.02 0.00 -2.20 0.00 0.00 60.37 58.02 3hx2 h HIS 125 Cb 0.10 -0.15 -0.04 0.00 1.55 0.00 0.00 27.41 28.87 3hx2 h HIS 125 CO 0.00 0.93 0.43 1.25 -1.30 0.00 0.00 177.93 179.24 3hx2 h LEU 126 N 0.30 1.03 -0.22 0.26 5.85 -1.93 0.69 115.31 121.29 3hx2 h LEU 126 Ca 0.04 -0.11 -0.03 0.00 0.84 0.00 0.00 57.88 58.62 3hx2 h LEU 126 Cb 0.81 -0.26 -0.01 0.00 0.37 0.00 0.00 40.66 41.57 3hx2 h LEU 126 CO 0.06 0.85 0.03 0.00 -0.34 0.00 0.00 178.44 179.04 3hx2 h ASP 128 N 0.16 0.46 -0.06 0.00 3.58 -1.06 -0.19 116.42 119.31 3hx2 h ASP 128 Ca 0.07 -0.09 -0.00 0.00 0.42 0.00 0.00 57.03 57.42 3hx2 h ASP 128 Cb 0.33 -0.12 -0.00 0.00 1.72 0.00 0.00 39.33 41.25 3hx2 h ASP 128 CO 0.00 0.56 0.03 0.15 -2.88 0.00 0.00 179.24 177.10 3hx2 h PHE 129 N 0.47 0.09 -0.24 0.28 3.04 -0.65 -0.64 116.94 119.30 3hx2 h PHE 129 Ca 0.10 -0.01 -0.15 0.00 3.98 0.00 0.00 57.97 61.90 3hx2 h PHE 129 Cb 0.36 -0.03 -0.01 0.00 2.56 0.00 0.00 35.95 38.83 3hx2 h PHE 129 CO 0.01 0.20 -0.45 -0.07 -2.02 0.00 0.00 178.31 175.98 3hx2 h LEU 130 N -0.04 0.65 0.05 0.59 3.38 -1.13 -2.09 115.31 116.71 3hx2 h LEU 130 Ca 0.02 -0.31 -0.00 0.00 0.09 0.00 0.00 57.88 57.68 3hx2 h LEU 130 Cb 0.15 -0.18 0.00 0.00 0.09 0.00 0.00 40.66 40.71 3hx2 h LEU 130 CO -0.00 1.01 -0.02 -0.33 0.09 0.00 0.00 178.44 179.18 3hx2 h GLU 131 N 0.48 -0.06 -0.03 1.13 5.08 -0.92 0.14 114.58 120.40 3hx2 h GLU 131 Ca 0.03 0.00 -0.17 0.00 -1.00 0.00 0.00 59.36 58.23 3hx2 h GLU 131 Cb 0.98 0.01 -0.01 0.00 0.50 0.00 0.00 28.75 30.23 3hx2 h GLU 131 CO 0.09 0.01 -0.74 1.15 -1.00 0.00 0.00 179.01 178.52 3hx2 h THR 132 N -0.12 1.45 0.00 1.13 2.02 -1.13 -3.36 112.91 112.90 3hx2 h THR 132 Ca -0.01 -2.32 0.00 0.00 0.77 0.00 0.00 66.41 64.85 3hx2 h THR 132 Cb 0.10 2.25 0.00 0.00 -1.74 0.00 0.00 68.15 68.76 3hx2 h THR 132 CO 0.01 0.68 -0.38 1.41 0.37 0.00 0.00 175.52 177.61 3hx2 n HIS 133 N -3.75 0.00 0.00 3.16 8.25 -0.79 -4.92 115.22 117.17 3hx2 n HIS 133 Ca -0.03 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.43 3hx2 n HIS 133 Cb 0.71 -0.02 0.00 0.00 1.12 0.00 0.00 29.99 31.80 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 -1.20 0.00 -0.02 4.41 3.72 -0.32 -4.70 117.46 119.35 3hx2 n PHE 134 Ca 0.00 0.00 -0.09 0.00 -0.05 0.00 0.00 57.45 57.32 3hx2 n PHE 134 Cb 0.07 0.09 -0.02 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 -0.63 -0.94 4.37 3.38 -0.95 -1.42 115.31 119.12 3hx2 h LEU 135 Ca 0.00 0.11 -0.10 0.00 0.09 0.00 0.00 57.88 57.98 3hx2 h LEU 135 Cb 0.78 0.30 -0.01 0.00 0.09 0.00 0.00 40.66 41.81 3hx2 h LEU 135 CO 0.00 -0.25 -0.48 -0.78 0.09 0.00 0.00 178.44 177.02 3hx2 h ASP 136 N -0.23 0.00 0.33 -0.43 -0.00 -1.83 -2.83 116.42 111.43 3hx2 h ASP 136 Ca 0.11 0.00 -0.13 0.00 -0.00 0.00 0.00 57.03 57.01 3hx2 h ASP 136 Cb 0.40 0.00 -0.01 0.00 -0.00 0.00 0.00 39.33 39.72 3hx2 h ASP 136 CO -0.31 0.48 -0.53 -0.33 -0.00 0.00 0.00 179.24 178.54 3hx2 h GLU 137 N 0.00 0.23 0.01 0.28 4.39 -1.74 -2.26 114.58 115.49 3hx2 h GLU 137 Ca -0.00 -0.14 -0.00 0.00 0.34 0.00 0.00 59.36 59.56 3hx2 h GLU 137 Cb 0.93 0.01 0.00 0.00 -0.10 0.00 0.00 28.75 29.59 3hx2 h GLU 137 CO 0.06 0.71 -0.01 0.93 -1.16 0.00 0.00 179.01 179.54 3hx2 h GLU 138 N 0.18 -0.02 0.01 2.33 4.39 -1.11 -2.72 114.58 117.64 3hx2 h GLU 138 Ca 0.00 0.00 0.03 0.00 0.34 0.00 0.00 59.36 59.74 3hx2 h GLU 138 Cb 1.00 0.00 -0.05 0.00 -0.10 0.00 0.00 28.75 29.60 3hx2 h GLU 138 CO 0.08 0.50 -0.33 0.28 -1.16 0.00 0.00 179.01 178.38 3hx2 h VAL 139 N -0.54 0.29 -0.51 3.13 2.07 -1.48 0.13 116.25 119.34 3hx2 h VAL 139 Ca -0.00 0.00 0.07 0.00 0.82 0.00 0.00 66.70 67.59 3hx2 h VAL 139 Cb 0.52 0.29 -0.03 0.00 -1.52 0.00 0.00 31.29 30.55 3hx2 h VAL 139 CO 0.00 0.00 0.35 0.11 0.02 0.00 0.00 177.57 178.05 3hx2 h LYS 140 N -0.49 0.40 -0.05 1.57 1.57 -1.49 0.52 116.57 118.61 3hx2 h LYS 140 Ca 0.06 -0.02 -0.05 0.00 -1.87 0.00 0.00 60.65 58.77 3hx2 h LYS 140 Cb 0.57 -0.09 0.00 0.00 0.08 0.00 0.00 32.23 32.79 3hx2 h LYS 140 CO -0.27 0.27 -0.15 1.25 -0.57 0.00 0.00 179.45 179.98 3hx2 h LEU 141 N 0.42 0.22 -0.31 2.94 5.85 -0.97 -1.76 115.31 121.69 3hx2 h LEU 141 Ca 0.23 -0.61 0.04 0.00 0.84 0.00 0.00 57.88 58.37 3hx2 h LEU 141 Cb 0.36 -0.06 -0.04 0.00 0.37 0.00 0.00 40.66 41.29 3hx2 h LEU 141 CO -0.06 0.79 0.08 0.40 -0.34 0.00 0.00 178.44 179.31 3hx2 h ILE 142 N -0.35 0.87 -0.75 4.05 2.04 -0.08 0.10 117.51 123.39 3hx2 h ILE 142 Ca -0.00 -0.07 0.03 0.00 1.00 0.00 0.00 64.86 65.81 3hx2 h ILE 142 Cb 0.77 0.66 -0.04 0.00 -0.74 0.00 0.00 36.82 37.47 3hx2 h ILE 142 CO 0.03 0.04 0.50 0.50 0.00 0.00 0.00 178.15 179.21 3hx2 h LYS 143 N 0.20 0.92 -0.34 2.37 1.63 -0.94 0.14 116.57 120.55 3hx2 h LYS 143 Ca 0.14 -0.06 -0.13 0.00 -0.85 0.00 0.00 60.65 59.76 3hx2 h LYS 143 Cb 0.14 -0.21 -0.01 0.00 -0.60 0.00 0.00 32.23 31.56 3hx2 h LYS 143 CO -0.18 0.61 -0.30 -0.22 -3.45 0.00 0.00 179.45 175.91 3hx2 h LYS 144 N 0.95 0.81 -0.31 1.90 3.64 -0.32 -1.65 116.57 121.59 3hx2 h LYS 144 Ca 0.29 -0.41 -0.12 0.00 -1.27 0.00 0.00 60.65 59.14 3hx2 h LYS 144 Cb -0.01 0.01 -0.01 0.00 -0.41 0.00 0.00 32.23 31.81 3hx2 h LYS 144 CO -0.08 1.04 -0.29 0.52 -2.27 0.00 0.00 179.45 178.38 3hx2 h MET 145 N 0.59 0.63 0.22 1.90 2.86 -0.17 -1.88 114.93 119.09 3hx2 h MET 145 Ca 0.06 -0.27 -0.01 0.00 -2.06 0.00 0.00 59.70 57.42 3hx2 h MET 145 Cb 0.88 -0.02 -0.01 0.00 0.06 0.00 0.00 31.60 32.51 3hx2 h MET 145 CO 0.08 0.85 -0.14 0.78 1.06 0.00 0.00 176.91 179.53 3hx2 h GLY 146 N 1.00 -0.36 0.21 8.32 0.00 -0.59 -0.79 103.07 110.86 3hx2 h GLY 146 Ca 0.07 0.16 0.16 0.00 0.00 0.00 0.00 47.33 47.72 3hx2 h GLY 146 CO 0.06 -0.15 0.51 -0.55 0.00 0.00 0.00 176.54 176.41 3hx2 h ASP 147 N -0.36 0.65 -0.03 0.19 5.19 -1.09 -1.65 116.42 119.32 3hx2 h ASP 147 Ca -0.02 0.09 -0.00 0.00 -0.62 0.00 0.00 57.03 56.48 3hx2 h ASP 147 Cb 0.31 -0.02 -0.00 0.00 0.18 0.00 0.00 39.33 39.79 3hx2 h ASP 147 CO 0.01 0.26 0.01 0.45 -3.12 0.00 0.00 179.24 176.86 3hx2 h HIS 148 N 0.70 0.04 -0.52 4.55 3.86 -0.67 -2.14 115.15 120.97 3hx2 h HIS 148 Ca 0.50 -0.00 0.07 0.00 -1.16 0.00 0.00 60.37 59.78 3hx2 h HIS 148 Cb 0.72 -0.01 -0.06 0.00 1.06 0.00 0.00 27.41 29.12 3hx2 h HIS 148 CO -0.06 0.14 0.19 -0.07 0.86 0.00 0.00 177.93 178.99 3hx2 h LEU 149 N -0.08 0.20 -0.74 2.43 3.38 -0.28 0.40 115.31 120.63 3hx2 h LEU 149 Ca 0.01 0.06 0.00 0.00 0.09 0.00 0.00 57.88 58.04 3hx2 h LEU 149 Cb 0.12 0.04 -0.04 0.00 0.09 0.00 0.00 40.66 40.87 3hx2 h LEU 149 CO -0.00 0.14 0.47 0.74 0.09 0.00 0.00 178.44 179.88 3hx2 h THR 150 N 0.37 1.20 0.00 0.22 2.02 -1.25 -1.21 112.91 114.27 3hx2 h THR 150 Ca 0.25 -0.40 -0.13 0.00 0.77 0.00 0.00 66.41 66.90 3hx2 h THR 150 Cb 0.26 0.14 -0.02 0.00 -1.74 0.00 0.00 68.15 66.80 3hx2 h THR 150 CO -0.25 0.20 -0.60 0.78 0.37 0.00 0.00 175.52 176.02 3hx2 h ASN 151 N 1.01 0.00 -0.17 4.18 2.35 -0.77 -2.43 115.58 119.74 3hx2 h ASN 151 Ca 0.27 0.00 -0.19 0.00 -0.55 0.00 0.00 56.30 55.82 3hx2 h ASN 151 Cb -0.08 0.00 0.01 0.00 0.05 0.00 0.00 38.32 38.30 3hx2 h ASN 151 CO -0.05 0.60 -0.65 -0.07 -1.65 0.00 0.00 177.43 175.61 3hx2 h LEU 152 N 0.00 0.86 -1.00 1.61 3.38 -0.54 -2.83 115.31 116.79 3hx2 h LEU 152 Ca -0.01 -0.61 -0.06 0.00 0.09 0.00 0.00 57.88 57.30 3hx2 h LEU 152 Cb 1.11 -0.25 -0.02 0.00 0.09 0.00 0.00 40.66 41.59 3hx2 h LEU 152 CO 0.08 1.33 0.09 -0.74 0.09 0.00 0.00 178.44 179.29 3hx2 h HIS 153 N 0.45 0.85 0.00 1.13 2.76 -1.21 -1.74 115.15 117.39 3hx2 h HIS 153 Ca -0.03 -0.09 -0.03 0.00 -2.20 0.00 0.00 60.37 58.01 3hx2 h HIS 153 Cb 1.28 -0.24 -0.00 0.00 1.55 0.00 0.00 27.41 29.99 3hx2 h HIS 153 CO 0.09 0.73 -0.15 -0.09 -1.30 0.00 0.00 177.93 177.21 3hx2 h ARG 154 N 0.78 0.00 -1.97 5.26 2.43 -1.38 -3.18 114.38 116.32 3hx2 h ARG 154 Ca 0.17 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.34 3hx2 h ARG 154 Cb 0.34 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 29.89 3hx2 h ARG 154 CO 0.00 0.15 0.00 1.28 -1.51 0.00 0.00 179.97 179.90 3hx2 n LEU 155 N -3.67 5.09 0.00 3.80 4.77 -0.65 -4.08 117.00 122.26 3hx2 n LEU 155 Ca -0.02 -2.30 0.00 0.00 -0.03 0.00 0.00 56.01 53.67 3hx2 n LEU 155 Cb 0.28 -1.07 0.00 0.00 -2.33 0.00 0.00 43.42 40.29 3hx2 n LEU 155 CO 0.31 0.96 0.00 0.61 -1.33 0.00 0.00 177.39 177.94 3hx2 n GLY 156 N 1.48 -0.28 0.00 -0.72 0.00 -1.20 -5.07 105.19 99.40 3hx2 n GLY 156 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 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 2.29 0.37 0.00 -0.02 0.00 -1.26 -5.22 105.19 101.36 3hx2 n GLY 157 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 3hx2 n GLY 157 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77