#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 -0.08 -0.21 7.83 0.15 -1.26 -5.14 113.70 114.99 3hx2 s SER 2 Ca 0.00 -0.86 -0.23 0.00 0.70 0.00 0.00 55.95 55.56 3hx2 s SER 2 Cb 0.00 0.71 -0.02 0.00 -1.71 0.00 0.00 66.02 65.00 3hx2 s SER 2 CO 0.00 -1.35 0.73 -0.55 1.20 0.00 0.00 173.24 173.27 3hx2 s SER 3 N -3.00 6.77 -0.04 5.45 0.15 -1.26 -4.92 113.70 116.84 3hx2 s SER 3 Ca 0.16 0.94 0.12 0.00 0.70 0.00 0.00 55.95 57.88 3hx2 s SER 3 Cb -0.04 -2.39 0.42 0.00 -1.71 0.00 0.00 66.02 62.30 3hx2 s SER 3 CO 0.09 -0.39 1.30 0.00 1.20 0.00 0.00 173.24 175.45 3hx2 n GLN 4 N 5.47 2.42 0.00 5.44 10.64 -1.26 -4.14 117.38 135.96 3hx2 n GLN 4 Ca 0.02 -1.68 0.00 0.00 -1.83 0.00 0.00 57.00 53.51 3hx2 n GLN 4 Cb 0.49 -1.53 0.00 0.00 -0.86 0.00 0.00 30.24 28.34 3hx2 n GLN 4 CO 0.00 0.00 0.00 0.44 -1.83 0.00 0.00 177.06 175.67 3hx2 n ILE 5 N 0.67 0.00 -1.57 -0.39 -5.35 -1.26 -5.07 119.36 106.39 3hx2 n ILE 5 Ca 0.15 -0.21 -0.43 0.00 -0.27 0.00 0.00 62.75 61.99 3hx2 n ILE 5 Cb 0.51 1.15 -0.00 0.00 -1.74 0.00 0.00 39.64 39.56 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 -0.31 1.19 -3.23 6.28 0.63 -1.26 -4.81 116.66 115.16 3hx2 n ARG 6 Ca 0.00 0.42 0.04 0.00 -0.92 0.00 0.00 57.85 57.39 3hx2 n ARG 6 Cb 0.04 -1.83 -0.02 0.00 0.45 0.00 0.00 32.46 31.10 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 -1.69 0.30 -0.50 -0.14 0.74 -1.26 -4.93 119.66 112.18 3hx2 s GLN 7 Ca 0.61 0.60 0.00 0.00 0.05 0.00 0.00 55.36 56.62 3hx2 s GLN 7 Cb -0.65 0.34 0.00 0.00 1.10 0.00 0.00 33.01 33.81 3hx2 s GLN 7 CO 0.59 -0.26 0.00 -1.71 -0.55 0.00 0.00 175.29 173.35 3hx2 n ASN 8 N 5.33 -4.48 -4.27 6.67 5.15 -1.26 -4.97 115.26 117.43 3hx2 n ASN 8 Ca -0.06 0.12 -0.44 0.00 -0.60 0.00 0.00 54.58 53.59 3hx2 n ASN 8 Cb 0.53 -2.39 -0.05 0.00 -0.53 0.00 0.00 39.78 37.33 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 -1.87 3.51 0.69 1.20 5.04 -1.26 -4.82 117.35 119.83 3hx2 s TYR 9 Ca 0.00 -1.87 -0.16 0.00 -2.44 0.00 0.00 57.07 52.61 3hx2 s TYR 9 Cb 0.00 -3.67 0.02 0.00 0.35 0.00 0.00 41.96 38.65 3hx2 s TYR 9 CO 0.00 -0.98 1.17 -1.54 -1.34 0.00 0.00 175.55 172.86 3hx2 s SER 10 N 2.48 4.64 0.46 4.32 1.04 -1.26 -4.89 113.70 120.49 3hx2 s SER 10 Ca 0.11 2.24 0.29 0.00 0.48 0.00 0.00 55.95 59.07 3hx2 s SER 10 Cb -0.20 -2.58 1.00 0.00 0.10 0.00 0.00 66.02 64.34 3hx2 s SER 10 CO -0.03 -1.95 1.83 0.71 0.98 0.00 0.00 173.24 174.78 3hx2 h THR 11 N -0.01 0.00 -0.41 2.02 1.35 -1.98 -2.25 112.91 111.64 3hx2 h THR 11 Ca -0.48 -0.61 -0.06 0.00 -0.55 0.00 0.00 66.41 64.72 3hx2 h THR 11 Cb 1.28 1.57 -0.02 0.00 -1.73 0.00 0.00 68.15 69.26 3hx2 h THR 11 CO 0.52 0.00 0.03 0.44 -0.25 0.00 0.00 175.52 176.26 3hx2 h ASP 12 N 0.00 0.69 0.02 5.36 3.45 -1.99 -1.28 116.42 122.66 3hx2 h ASP 12 Ca 0.00 -0.29 -0.00 0.00 0.43 0.00 0.00 57.03 57.17 3hx2 h ASP 12 Cb 0.64 -0.18 0.00 0.00 -0.56 0.00 0.00 39.33 39.23 3hx2 h ASP 12 CO 0.00 0.80 -0.01 0.58 -1.57 0.00 0.00 179.24 179.04 3hx2 h VAL 13 N 0.55 1.39 -1.02 -1.35 2.07 -1.90 -2.14 116.25 113.85 3hx2 h VAL 13 Ca 0.12 -1.30 0.26 0.00 0.82 0.00 0.00 66.70 66.60 3hx2 h VAL 13 Cb 0.43 2.26 -0.08 0.00 -1.52 0.00 0.00 31.29 32.37 3hx2 h VAL 13 CO 0.01 0.33 0.66 -0.08 0.02 0.00 0.00 177.57 178.52 3hx2 h GLU 14 N -0.59 0.36 -0.00 1.57 4.81 -1.37 0.28 114.58 119.64 3hx2 h GLU 14 Ca -0.00 -0.02 -0.00 0.00 -0.13 0.00 0.00 59.36 59.20 3hx2 h GLU 14 Cb 0.56 -0.08 0.00 0.00 0.63 0.00 0.00 28.75 29.86 3hx2 h GLU 14 CO 0.00 0.24 -0.01 0.00 -0.73 0.00 0.00 179.01 178.51 3hx2 h ALA 15 N 1.60 0.00 -0.34 2.92 0.00 -1.20 -2.82 119.26 119.43 3hx2 h ALA 15 Ca 0.56 -0.39 0.02 0.00 0.00 0.00 0.00 54.91 55.10 3hx2 h ALA 15 Cb 1.47 0.00 -0.02 0.00 0.00 0.00 0.00 17.79 19.25 3hx2 h ALA 15 CO -0.25 -0.10 0.23 0.00 0.00 0.00 0.00 179.25 179.13 3hx2 h ALA 16 N 0.23 1.82 -0.40 0.00 0.00 -0.49 -0.31 119.26 120.12 3hx2 h ALA 16 Ca -0.00 -0.02 -0.04 0.00 0.00 0.00 0.00 54.91 54.85 3hx2 h ALA 16 Cb 0.79 -0.12 -0.02 0.00 0.00 0.00 0.00 17.79 18.44 3hx2 h ALA 16 CO 0.00 0.15 0.09 0.28 0.00 0.00 0.00 179.25 179.77 3hx2 h VAL 17 N 0.41 1.23 -0.64 0.00 2.07 -0.55 -0.11 116.25 118.65 3hx2 h VAL 17 Ca 0.13 -0.80 -0.04 0.00 0.82 0.00 0.00 66.70 66.82 3hx2 h VAL 17 Cb 0.04 0.99 -0.03 0.00 -1.52 0.00 0.00 31.29 30.77 3hx2 h VAL 17 CO -0.03 0.28 0.25 0.78 0.02 0.00 0.00 177.57 178.86 3hx2 h ASN 18 N 0.50 0.87 -0.20 0.57 2.35 -0.95 0.30 115.58 119.02 3hx2 h ASN 18 Ca 0.12 -0.12 -0.03 0.00 -0.55 0.00 0.00 56.30 55.72 3hx2 h ASN 18 Cb 0.32 -0.22 -0.01 0.00 0.05 0.00 0.00 38.32 38.46 3hx2 h ASN 18 CO 0.00 0.78 0.01 -1.28 -1.65 0.00 0.00 177.43 175.30 3hx2 h SER 19 N 0.93 0.33 -0.96 5.81 0.87 -0.81 -2.44 113.55 117.28 3hx2 h SER 19 Ca 0.22 -0.29 0.03 0.00 -1.23 0.00 0.00 61.79 60.52 3hx2 h SER 19 Cb 0.19 -0.09 -0.05 0.00 -0.44 0.00 0.00 62.40 62.01 3hx2 h SER 19 CO -0.02 0.54 0.63 0.25 -0.53 0.00 0.00 176.83 177.70 3hx2 h LEU 20 N 0.12 1.05 -1.82 2.23 5.85 -0.53 0.10 115.31 122.32 3hx2 h LEU 20 Ca 0.06 -0.01 -0.01 0.00 0.84 0.00 0.00 57.88 58.75 3hx2 h LEU 20 Cb 0.36 -0.24 -0.01 0.00 0.37 0.00 0.00 40.66 41.14 3hx2 h LEU 20 CO 0.01 0.73 0.00 0.58 -0.34 0.00 0.00 178.44 179.42 3hx2 h VAL 21 N 1.22 1.06 -0.04 1.05 2.07 -0.66 -0.84 116.25 120.10 3hx2 h VAL 21 Ca 0.38 -0.21 -0.20 0.00 0.82 0.00 0.00 66.70 67.48 3hx2 h VAL 21 Cb -0.01 1.00 0.01 0.00 -1.52 0.00 0.00 31.29 30.77 3hx2 h VAL 21 CO -0.11 0.07 -0.77 -1.13 0.02 0.00 0.00 177.57 175.65 3hx2 h ASN 22 N 0.11 0.75 -0.89 0.57 -0.73 -0.57 -1.81 115.58 113.01 3hx2 h ASN 22 Ca 0.03 -0.71 0.08 0.00 1.87 0.00 0.00 56.30 57.57 3hx2 h ASN 22 Cb 0.08 -0.23 -0.07 0.00 0.27 0.00 0.00 38.32 38.37 3hx2 h ASN 22 CO 0.00 1.36 0.55 0.25 -0.37 0.00 0.00 177.43 179.21 3hx2 h LEU 23 N 0.21 0.84 -0.27 0.34 5.85 -0.29 -0.17 115.31 121.83 3hx2 h LEU 23 Ca -0.08 0.03 -0.20 0.00 0.84 0.00 0.00 57.88 58.47 3hx2 h LEU 23 Cb 1.44 -0.14 0.00 0.00 0.37 0.00 0.00 40.66 42.32 3hx2 h LEU 23 CO 0.15 0.51 -0.63 1.88 -0.34 0.00 0.00 178.44 180.01 3hx2 h TYR 24 N 0.96 1.06 -0.57 1.25 -1.99 -1.20 -0.69 116.97 115.79 3hx2 h TYR 24 Ca 0.41 -0.41 0.02 0.00 2.00 0.00 0.00 58.73 60.75 3hx2 h TYR 24 Cb 0.26 -0.19 -0.03 0.00 2.00 0.00 0.00 36.73 38.78 3hx2 h TYR 24 CO -0.03 1.23 0.38 -0.07 -0.00 0.00 0.00 178.16 179.67 3hx2 h LEU 25 N 0.60 0.60 0.14 3.88 3.38 -0.40 0.64 115.31 124.14 3hx2 h LEU 25 Ca -0.01 -0.01 -0.01 0.00 0.09 0.00 0.00 57.88 57.94 3hx2 h LEU 25 Cb 1.24 -0.14 0.00 0.00 0.09 0.00 0.00 40.66 41.85 3hx2 h LEU 25 CO 0.13 0.42 -0.07 1.56 0.09 0.00 0.00 178.44 180.58 3hx2 h GLN 26 N 0.70 -0.18 -0.22 1.13 4.20 -0.88 -2.50 115.11 117.34 3hx2 h GLN 26 Ca 0.22 0.01 0.06 0.00 0.06 0.00 0.00 58.65 59.01 3hx2 h GLN 26 Cb 0.03 0.04 -0.01 0.00 0.30 0.00 0.00 27.48 27.84 3hx2 h GLN 26 CO -0.06 0.27 0.18 0.00 -0.67 0.00 0.00 178.83 178.55 3hx2 h ALA 27 N -0.13 2.11 -0.40 3.87 0.00 -0.85 0.21 119.26 124.07 3hx2 h ALA 27 Ca -0.02 -0.01 -0.13 0.00 0.00 0.00 0.00 54.91 54.75 3hx2 h ALA 27 Cb 0.54 0.02 -0.01 0.00 0.00 0.00 0.00 17.79 18.34 3hx2 h ALA 27 CO 0.03 -0.29 -0.26 1.03 0.00 0.00 0.00 179.25 179.76 3hx2 h SER 28 N 0.00 0.92 0.21 0.00 0.87 -0.82 -2.62 113.55 112.11 3hx2 h SER 28 Ca 0.11 -0.43 -0.01 0.00 -1.23 0.00 0.00 61.79 60.23 3hx2 h SER 28 Cb 0.46 -0.26 0.00 0.00 -0.44 0.00 0.00 62.40 62.16 3hx2 h SER 28 CO -0.00 1.15 -0.10 0.22 -0.53 0.00 0.00 176.83 177.57 3hx2 h TYR 29 N 0.70 -0.26 -0.90 2.24 3.20 -0.26 -2.45 116.97 119.25 3hx2 h TYR 29 Ca 0.08 -0.01 0.24 0.00 3.14 0.00 0.00 58.73 62.19 3hx2 h TYR 29 Cb 0.83 0.08 -0.05 0.00 1.54 0.00 0.00 36.73 39.14 3hx2 h TYR 29 CO 0.06 0.06 0.63 1.15 -1.64 0.00 0.00 178.16 178.42 3hx2 h THR 30 N -0.59 0.59 0.00 1.81 2.02 -0.75 0.50 112.91 116.50 3hx2 h THR 30 Ca -0.03 -0.05 -0.03 0.00 0.77 0.00 0.00 66.41 67.07 3hx2 h THR 30 Cb 0.43 0.43 -0.00 0.00 -1.74 0.00 0.00 68.15 67.27 3hx2 h THR 30 CO 0.05 0.03 -0.51 1.88 0.37 0.00 0.00 175.52 177.34 3hx2 h TYR 31 N 0.15 0.00 -0.19 3.16 0.05 -1.34 -2.06 116.97 116.74 3hx2 h TYR 31 Ca 0.45 0.00 -0.17 0.00 0.05 0.00 0.00 58.73 59.06 3hx2 h TYR 31 Cb 1.52 0.00 -0.00 0.00 1.01 0.00 0.00 36.73 39.26 3hx2 h TYR 31 CO -0.00 0.12 -0.56 1.25 -1.05 0.00 0.00 178.16 177.91 3hx2 h LEU 32 N 0.00 0.66 0.48 3.88 5.85 0.45 -0.67 115.31 125.95 3hx2 h LEU 32 Ca -0.01 -0.36 -0.02 0.00 0.84 0.00 0.00 57.88 58.32 3hx2 h LEU 32 Cb 1.10 -0.19 0.00 0.00 0.37 0.00 0.00 40.66 41.95 3hx2 h LEU 32 CO 0.01 1.09 -0.23 -1.28 -0.34 0.00 0.00 178.44 177.69 3hx2 h SER 33 N 0.45 -0.54 -0.95 1.25 0.87 -1.22 -2.22 113.55 111.19 3hx2 h SER 33 Ca 0.01 -0.08 0.12 0.00 -1.23 0.00 0.00 61.79 60.60 3hx2 h SER 33 Cb 1.12 0.14 -0.08 0.00 -0.44 0.00 0.00 62.40 63.14 3hx2 h SER 33 CO 0.11 -0.17 0.61 -0.07 -0.53 0.00 0.00 176.83 176.78 3hx2 h LEU 34 N -0.99 0.84 -0.70 2.23 3.38 -1.39 -0.82 115.31 117.85 3hx2 h LEU 34 Ca -0.07 0.04 -0.12 0.00 0.09 0.00 0.00 57.88 57.82 3hx2 h LEU 34 Cb 0.59 -0.13 -0.01 0.00 0.09 0.00 0.00 40.66 41.20 3hx2 h LEU 34 CO 0.11 0.45 -0.27 1.23 0.09 0.00 0.00 178.44 180.05 3hx2 h GLY 35 N 0.90 0.77 1.55 0.83 0.00 -1.04 -2.93 103.07 103.16 3hx2 h GLY 35 Ca 0.46 -0.68 0.00 0.00 0.00 0.00 0.00 47.33 47.11 3hx2 h GLY 35 CO -0.23 0.62 -0.32 0.69 0.00 0.00 0.00 176.54 177.30 3hx2 n PHE 36 N -4.09 0.68 -0.01 5.60 3.01 -0.81 -3.62 117.46 118.22 3hx2 n PHE 36 Ca -0.00 0.20 -0.17 0.00 1.01 0.00 0.00 57.45 58.49 3hx2 n PHE 36 Cb 0.45 -0.76 -0.06 0.00 -0.01 0.00 0.00 39.48 39.10 3hx2 n PHE 36 CO 0.00 0.00 0.00 -0.92 1.01 0.00 0.00 176.76 176.85 3hx2 h TYR 37 N 0.00 1.01 -0.09 1.38 3.20 -0.99 -2.78 116.97 118.70 3hx2 h TYR 37 Ca 0.00 -0.45 0.00 0.00 3.14 0.00 0.00 58.73 61.42 3hx2 h TYR 37 Cb 0.72 -0.15 0.00 0.00 1.54 0.00 0.00 36.73 38.84 3hx2 h TYR 37 CO 0.00 1.28 0.00 1.19 -1.64 0.00 0.00 178.16 178.99 3hx2 n PHE 38 N -3.92 0.12 0.68 -3.82 3.72 -1.16 -2.64 117.46 110.44 3hx2 n PHE 38 Ca -0.07 -0.06 0.08 0.00 -0.05 0.00 0.00 57.45 57.35 3hx2 n PHE 38 Cb 0.75 0.00 0.04 0.00 -0.94 0.00 0.00 39.48 39.34 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 -0.25 2.09 -4.75 4.37 -0.08 -1.05 -1.72 116.55 115.15 3hx2 n ASP 39 Ca 0.06 -1.55 -0.41 0.00 -1.51 0.00 0.00 54.79 51.38 3hx2 n ASP 39 Cb 0.10 0.16 -0.03 0.00 2.34 0.00 0.00 41.12 43.70 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 -1.53 4.35 0.55 -0.67 0.52 -1.08 -4.73 118.95 116.36 3hx2 s ARG 40 Ca 0.17 2.16 0.25 0.00 -0.52 0.00 0.00 55.73 57.79 3hx2 s ARG 40 Cb 0.13 -3.14 1.47 0.00 0.52 0.00 0.00 34.95 33.93 3hx2 s ARG 40 CO 0.27 -0.27 2.04 0.38 0.02 0.00 0.00 175.30 177.74 3hx2 h ASP 41 N 4.73 0.00 -0.31 0.23 2.03 -1.93 0.85 116.42 122.01 3hx2 h ASP 41 Ca -0.46 0.00 -0.02 0.00 -0.73 0.00 0.00 57.03 55.82 3hx2 h ASP 41 Cb 1.22 0.00 -0.01 0.00 -0.83 0.00 0.00 39.33 39.70 3hx2 h ASP 41 CO 0.74 0.00 0.03 -0.90 -1.03 0.00 0.00 179.24 178.08 3hx2 n ASP 42 N -4.16 3.44 0.01 4.15 3.85 -1.26 -4.02 116.55 118.56 3hx2 n ASP 42 Ca 0.06 -2.51 0.00 0.00 -0.71 0.00 0.00 54.79 51.63 3hx2 n ASP 42 Cb 0.46 -0.60 0.00 0.00 -1.35 0.00 0.00 41.12 39.63 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 0.26 0.00 -3.98 2.12 0.31 0.33 -5.09 118.33 112.29 3hx2 n VAL 43 Ca 0.16 0.00 -0.33 0.00 -0.01 0.00 0.00 64.34 64.15 3hx2 n VAL 43 Cb 0.77 -0.45 -0.00 0.00 -0.91 0.00 0.00 33.84 33.25 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 -2.54 -2.12 -3.11 3.52 0.00 0.27 -4.90 120.51 111.62 3hx2 n ALA 44 Ca 0.00 -0.43 -0.32 0.00 0.00 0.00 0.00 53.44 52.70 3hx2 n ALA 44 Cb 0.00 -1.65 -0.04 0.00 0.00 0.00 0.00 19.45 17.76 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 -3.98 4.92 -0.45 0.00 4.77 -0.70 -4.92 117.00 116.63 3hx2 n LEU 45 Ca -0.11 -5.47 0.38 0.00 -0.03 0.00 0.00 56.01 50.78 3hx2 n LEU 45 Cb 0.44 -0.81 0.66 0.00 -2.33 0.00 0.00 43.42 41.37 3hx2 n LEU 45 CO 0.57 2.07 1.24 -0.08 -1.33 0.00 0.00 177.39 179.87 3hx2 h GLU 46 N 4.08 0.07 0.56 3.23 4.81 -1.91 0.10 114.58 125.52 3hx2 h GLU 46 Ca 0.22 -0.00 -0.03 0.00 -0.13 0.00 0.00 59.36 59.42 3hx2 h GLU 46 Cb 0.57 -0.02 0.01 0.00 0.63 0.00 0.00 28.75 29.93 3hx2 h GLU 46 CO 0.97 0.05 -0.27 0.78 -0.73 0.00 0.00 179.01 179.81 3hx2 h GLY 47 N 0.07 -0.79 2.00 1.92 0.00 -1.92 -0.46 103.07 103.89 3hx2 h GLY 47 Ca 0.83 0.29 -0.03 0.00 0.00 0.00 0.00 47.33 48.42 3hx2 h GLY 47 CO -0.41 -0.29 -0.14 -2.08 0.00 0.00 0.00 176.54 173.62 3hx2 h VAL 48 N -0.83 1.10 0.63 4.60 2.07 -1.42 -1.18 116.25 121.22 3hx2 h VAL 48 Ca -0.08 -0.47 -0.03 0.00 0.82 0.00 0.00 66.70 66.94 3hx2 h VAL 48 Cb 0.61 1.25 0.01 0.00 -1.52 0.00 0.00 31.29 31.64 3hx2 h VAL 48 CO 0.13 0.14 -0.30 -1.28 0.02 0.00 0.00 177.57 176.27 3hx2 h SER 49 N 0.00 -0.72 -0.54 0.57 0.87 -0.73 -2.29 113.55 110.71 3hx2 h SER 49 Ca -0.00 -0.01 0.09 0.00 -1.23 0.00 0.00 61.79 60.63 3hx2 h SER 49 Cb 0.24 0.19 -0.07 0.00 -0.44 0.00 0.00 62.40 62.32 3hx2 h SER 49 CO 0.02 -0.43 0.16 -0.74 -0.53 0.00 0.00 176.83 175.31 3hx2 h HIS 50 N -0.97 0.28 -0.33 2.24 6.17 -0.76 -0.96 115.15 120.83 3hx2 h HIS 50 Ca -0.09 0.03 0.07 0.00 0.71 0.00 0.00 60.37 61.09 3hx2 h HIS 50 Cb 0.69 -0.04 -0.07 0.00 2.52 0.00 0.00 27.41 30.50 3hx2 h HIS 50 CO -0.01 0.05 -0.14 0.35 0.71 0.00 0.00 177.93 178.89 3hx2 h PHE 51 N 0.32 -0.33 0.00 5.26 3.57 -1.08 0.07 116.94 124.75 3hx2 h PHE 51 Ca 0.27 0.03 -0.05 0.00 3.53 0.00 0.00 57.97 61.75 3hx2 h PHE 51 Cb 0.34 0.20 -0.01 0.00 2.79 0.00 0.00 35.95 39.27 3hx2 h PHE 51 CO -0.19 -0.21 -0.26 0.74 -2.23 0.00 0.00 178.31 176.16 3hx2 h PHE 52 N -0.08 0.00 0.00 0.41 0.05 -0.83 -2.42 116.94 114.07 3hx2 h PHE 52 Ca 0.17 0.00 -0.16 0.00 3.82 0.00 0.00 57.97 61.79 3hx2 h PHE 52 Cb 0.33 0.00 -0.02 0.00 2.00 0.00 0.00 35.95 38.26 3hx2 h PHE 52 CO -0.35 0.26 -0.77 0.00 -0.18 0.00 0.00 178.31 177.26 3hx2 h ARG 53 N 0.00 0.00 -0.26 1.51 3.08 -0.12 -2.34 114.38 116.25 3hx2 h ARG 53 Ca -0.00 0.00 -0.11 0.00 0.07 0.00 0.00 59.98 59.94 3hx2 h ARG 53 Cb 0.79 0.00 -0.00 0.00 0.08 0.00 0.00 29.97 30.84 3hx2 h ARG 53 CO 0.03 0.77 -0.26 0.93 -1.07 0.00 0.00 179.97 180.37 3hx2 h GLU 54 N 0.00 0.63 -0.28 0.04 5.08 -0.77 -2.74 114.58 116.54 3hx2 h GLU 54 Ca -0.01 -0.33 -0.03 0.00 -1.00 0.00 0.00 59.36 57.99 3hx2 h GLU 54 Cb 1.36 0.01 -0.02 0.00 0.50 0.00 0.00 28.75 30.61 3hx2 h GLU 54 CO 0.10 0.94 0.06 -0.07 -1.00 0.00 0.00 179.01 179.03 3hx2 h LEU 55 N 0.35 0.36 -1.27 1.33 3.38 -1.37 -0.81 115.31 117.28 3hx2 h LEU 55 Ca 0.04 -0.04 -0.04 0.00 0.09 0.00 0.00 57.88 57.92 3hx2 h LEU 55 Cb 0.82 -0.09 -0.01 0.00 0.09 0.00 0.00 40.66 41.47 3hx2 h LEU 55 CO 0.06 0.38 -0.20 0.00 0.09 0.00 0.00 178.44 178.78 3hx2 h ALA 56 N 1.67 1.06 0.00 1.53 0.00 -1.21 -1.66 119.26 120.65 3hx2 h ALA 56 Ca 0.10 -0.18 0.00 0.00 0.00 0.00 0.00 54.91 54.82 3hx2 h ALA 56 Cb 0.18 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 17.93 3hx2 h ALA 56 CO -0.00 0.25 -0.69 -1.91 0.00 0.00 0.00 179.25 176.90 3hx2 n GLU 57 N -3.42 0.26 0.10 0.00 4.07 -0.42 -3.05 120.64 118.19 3hx2 n GLU 57 Ca -0.00 0.06 -0.22 0.00 -0.06 0.00 0.00 57.16 56.93 3hx2 n GLU 57 Cb 0.39 -1.64 -0.15 0.00 -0.06 0.00 0.00 31.44 29.98 3hx2 n GLU 57 CO 0.00 0.00 0.00 0.93 -0.06 0.00 0.00 177.13 178.00 3hx2 h GLU 58 N 0.00 0.42 0.00 5.31 5.08 -0.63 -3.04 114.58 121.72 3hx2 h GLU 58 Ca 0.00 -0.72 -0.08 0.00 -1.00 0.00 0.00 59.36 57.57 3hx2 h GLU 58 Cb 0.71 0.27 -0.01 0.00 0.50 0.00 0.00 28.75 30.22 3hx2 h GLU 58 CO 0.00 1.33 -0.36 0.87 -1.00 0.00 0.00 179.01 179.85 3hx2 h LYS 59 N 0.11 0.00 -0.25 2.33 1.79 -1.42 -1.26 116.57 117.88 3hx2 h LYS 59 Ca -0.28 0.00 -0.07 0.00 -2.18 0.00 0.00 60.65 58.12 3hx2 h LYS 59 Cb 2.11 0.00 -0.01 0.00 -1.58 0.00 0.00 32.23 32.75 3hx2 h LYS 59 CO 0.22 0.36 -0.13 -0.09 -1.08 0.00 0.00 179.45 178.73 3hx2 h ARG 60 N 0.00 0.52 0.00 3.15 2.43 -1.60 -1.51 114.38 117.38 3hx2 h ARG 60 Ca -0.00 -0.23 -0.01 0.00 -0.81 0.00 0.00 59.98 58.92 3hx2 h ARG 60 Cb 0.82 -0.01 -0.00 0.00 -0.42 0.00 0.00 29.97 30.36 3hx2 h ARG 60 CO 0.05 0.79 -0.07 0.93 -1.51 0.00 0.00 179.97 180.16 3hx2 h GLU 61 N 0.24 0.00 0.16 0.20 5.08 -1.37 -0.59 114.58 118.30 3hx2 h GLU 61 Ca 0.05 0.00 -0.01 0.00 -1.00 0.00 0.00 59.36 58.41 3hx2 h GLU 61 Cb 0.64 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.89 3hx2 h GLU 61 CO 0.04 0.07 -0.08 0.78 -1.00 0.00 0.00 179.01 178.82 3hx2 h GLY 62 N 1.44 -0.22 2.00 -3.84 0.00 -0.68 -2.36 103.07 99.41 3hx2 h GLY 62 Ca -0.00 0.08 -0.02 0.00 0.00 0.00 0.00 47.33 47.39 3hx2 h GLY 62 CO 0.01 -0.08 -0.09 0.10 0.00 0.00 0.00 176.54 176.48 3hx2 h TYR 63 N -0.84 0.00 0.00 5.60 -0.00 -1.09 -2.04 116.97 118.60 3hx2 h TYR 63 Ca -0.02 0.00 -0.14 0.00 0.00 0.00 0.00 58.73 58.57 3hx2 h TYR 63 Cb 0.53 0.00 -0.02 0.00 0.00 0.00 0.00 36.73 37.24 3hx2 h TYR 63 CO 0.09 0.09 -0.65 0.93 -0.00 0.00 0.00 178.16 178.62 3hx2 h GLU 64 N 0.00 0.00 0.06 0.10 5.08 -1.11 -2.06 114.58 116.65 3hx2 h GLU 64 Ca -0.00 0.00 -0.22 0.00 -1.00 0.00 0.00 59.36 58.14 3hx2 h GLU 64 Cb 0.52 0.00 0.02 0.00 0.50 0.00 0.00 28.75 29.79 3hx2 h GLU 64 CO 0.01 0.65 -0.88 -0.09 -1.00 0.00 0.00 179.01 177.70 3hx2 h ARG 65 N 0.00 0.49 -0.72 2.33 2.43 -0.93 -2.85 114.38 115.12 3hx2 h ARG 65 Ca -0.01 -0.61 0.02 0.00 -0.81 0.00 0.00 59.98 58.58 3hx2 h ARG 65 Cb 1.38 0.19 -0.04 0.00 -0.42 0.00 0.00 29.97 31.09 3hx2 h ARG 65 CO 0.08 1.24 0.47 -0.07 -1.51 0.00 0.00 179.97 180.18 3hx2 h LEU 66 N 0.01 0.80 -0.55 3.80 3.38 -1.34 -1.56 115.31 119.85 3hx2 h LEU 66 Ca -0.13 -0.01 -0.08 0.00 0.09 0.00 0.00 57.88 57.75 3hx2 h LEU 66 Cb 1.59 -0.19 -0.02 0.00 0.09 0.00 0.00 40.66 42.14 3hx2 h LEU 66 CO 0.17 0.56 0.03 -0.07 0.09 0.00 0.00 178.44 179.22 3hx2 h LEU 67 N 0.94 0.92 -1.53 1.67 3.38 -1.44 -0.73 115.31 118.53 3hx2 h LEU 67 Ca 0.28 -0.29 -0.05 0.00 0.09 0.00 0.00 57.88 57.90 3hx2 h LEU 67 Cb -0.05 -0.25 -0.01 0.00 0.09 0.00 0.00 40.66 40.44 3hx2 h LEU 67 CO -0.08 0.99 -0.24 0.50 0.09 0.00 0.00 178.44 179.70 3hx2 h LYS 68 N 0.83 0.00 0.00 1.13 1.63 -1.22 -1.75 116.57 117.19 3hx2 h LYS 68 Ca 0.16 0.00 -0.12 0.00 -0.85 0.00 0.00 60.65 59.84 3hx2 h LYS 68 Cb 0.50 0.00 -0.02 0.00 -0.60 0.00 0.00 32.23 32.11 3hx2 h LYS 68 CO 0.02 0.24 -0.85 1.98 -3.45 0.00 0.00 179.45 177.39 3hx2 h MET 69 N 0.00 0.00 -0.12 1.90 4.05 -0.92 -2.67 114.93 117.18 3hx2 h MET 69 Ca -0.00 0.00 -0.02 0.00 -0.28 0.00 0.00 59.70 59.39 3hx2 h MET 69 Cb 0.42 0.00 -0.00 0.00 -0.80 0.00 0.00 31.60 31.22 3hx2 h MET 69 CO 0.03 0.39 -0.02 0.37 0.23 0.00 0.00 176.91 177.91 3hx2 h GLN 70 N 0.00 0.22 -0.52 0.39 5.75 -0.50 -2.30 115.11 118.14 3hx2 h GLN 70 Ca -0.06 -0.08 -0.03 0.00 -0.15 0.00 0.00 58.65 58.33 3hx2 h GLN 70 Cb 1.43 -0.01 -0.03 0.00 1.07 0.00 0.00 27.48 29.94 3hx2 h GLN 70 CO 0.05 0.51 0.22 -0.91 -2.65 0.00 0.00 178.83 176.05 3hx2 h ASN 71 N -0.09 0.67 -0.06 -0.69 4.21 -1.38 0.44 115.58 118.68 3hx2 h ASN 71 Ca 0.03 -0.07 -0.11 0.00 1.21 0.00 0.00 56.30 57.36 3hx2 h ASN 71 Cb 0.42 -0.17 -0.01 0.00 -1.12 0.00 0.00 38.32 37.43 3hx2 h ASN 71 CO 0.01 0.60 -0.30 1.56 -1.29 0.00 0.00 177.43 178.01 3hx2 h GLN 72 N 0.74 0.53 -0.24 0.81 4.20 -1.21 -2.23 115.11 117.70 3hx2 h GLN 72 Ca 0.18 -0.22 0.00 0.00 0.06 0.00 0.00 58.65 58.67 3hx2 h GLN 72 Cb 0.13 -0.02 0.00 0.00 0.30 0.00 0.00 27.48 27.89 3hx2 h GLN 72 CO -0.02 0.77 0.00 0.54 -0.67 0.00 0.00 178.83 179.45 3hx2 n ARG 73 N -4.09 1.60 -0.93 1.46 5.12 -0.89 -4.89 116.66 114.04 3hx2 n ARG 73 Ca -0.01 -0.93 0.00 0.00 -1.93 0.00 0.00 57.85 54.99 3hx2 n ARG 73 Cb 0.45 -1.23 0.00 0.00 -1.16 0.00 0.00 32.46 30.52 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 0.93 0.89 3.62 -0.13 0.00 -0.84 -4.34 105.19 105.33 3hx2 n GLY 74 Ca 0.10 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.82 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 -1.94 1.57 -0.10 -0.02 0.00 0.13 -4.77 107.32 102.18 3hx2 s GLY 75 Ca 0.00 -0.69 0.01 0.00 0.00 0.00 0.00 44.72 44.04 3hx2 s GLY 75 CO 0.00 0.08 -0.12 0.50 0.00 0.00 0.00 173.10 173.56 3hx2 s ARG 76 N -5.20 1.91 0.05 2.90 1.81 -1.26 -4.35 118.95 114.81 3hx2 s ARG 76 Ca 0.68 -0.44 -0.30 0.00 -1.72 0.00 0.00 55.73 53.95 3hx2 s ARG 76 Cb -0.14 -1.71 -0.09 0.00 -0.45 0.00 0.00 34.95 32.56 3hx2 s ARG 76 CO 0.57 -0.12 1.85 0.00 -0.68 0.00 0.00 175.30 176.91 3hx2 s ALA 77 N 1.17 3.65 -0.35 2.13 0.00 -1.26 -4.99 121.76 122.12 3hx2 s ALA 77 Ca -0.04 1.29 0.01 0.00 0.00 0.00 0.00 51.96 53.22 3hx2 s ALA 77 Cb -0.14 -3.79 0.11 0.00 0.00 0.00 0.00 23.12 19.30 3hx2 s ALA 77 CO -0.03 -1.39 0.13 -1.17 0.00 0.00 0.00 175.76 173.29 3hx2 s LEU 78 N 3.68 2.68 0.24 0.00 2.96 -1.26 -5.12 118.68 121.87 3hx2 s LEU 78 Ca 0.82 -1.96 -0.28 0.00 -0.22 0.00 0.00 54.13 52.49 3hx2 s LEU 78 Cb -0.42 -1.01 -0.09 0.00 0.50 0.00 0.00 46.19 45.18 3hx2 s LEU 78 CO 0.37 -0.37 0.91 -0.36 -1.32 0.00 0.00 176.35 175.58 3hx2 s PHE 79 N 1.20 3.92 0.29 5.38 0.08 -1.26 -4.90 117.98 122.69 3hx2 s PHE 79 Ca 0.12 1.84 0.01 0.00 0.12 0.00 0.00 56.93 59.02 3hx2 s PHE 79 Cb -0.19 -2.93 0.01 0.00 -0.57 0.00 0.00 43.02 39.34 3hx2 s PHE 79 CO -0.16 0.43 0.09 1.04 -0.10 0.00 0.00 175.22 176.52 3hx2 n GLN 80 N 1.34 1.21 -2.54 0.44 1.13 -1.26 -5.11 117.38 112.58 3hx2 n GLN 80 Ca -0.02 -1.99 -0.37 0.00 -1.94 0.00 0.00 57.00 52.69 3hx2 n GLN 80 Cb 0.48 0.41 -0.04 0.00 0.11 0.00 0.00 30.24 31.19 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 -2.64 6.81 -0.41 1.08 -0.00 -1.26 -5.01 116.67 115.23 3hx2 s ASP 81 Ca 0.07 2.05 -0.16 0.00 -0.00 0.00 0.00 52.55 54.52 3hx2 s ASP 81 Cb -0.01 -2.59 0.02 0.00 -0.00 0.00 0.00 42.92 40.34 3hx2 s ASP 81 CO 0.04 -0.46 0.35 -0.63 -0.00 0.00 0.00 175.17 174.48 3hx2 s ILE 82 N -1.62 5.20 0.35 0.77 1.01 -1.26 -5.05 121.20 120.59 3hx2 s ILE 82 Ca 0.57 -0.52 -0.29 0.00 0.00 0.00 0.00 60.65 60.41 3hx2 s ILE 82 Cb -0.23 -3.96 -0.11 0.00 0.01 0.00 0.00 42.46 38.17 3hx2 s ILE 82 CO 0.29 -0.34 1.52 -0.54 0.00 0.00 0.00 174.94 175.87 3hx2 s LYS 83 N 1.86 4.11 0.71 2.79 -0.14 -1.26 -4.98 119.74 122.82 3hx2 s LYS 83 Ca 0.08 2.58 -0.14 0.00 -1.36 0.00 0.00 55.97 57.13 3hx2 s LYS 83 Cb -0.18 -2.98 0.02 0.00 -1.68 0.00 0.00 37.83 33.01 3hx2 s LYS 83 CO 0.11 -0.57 1.12 -1.59 -0.76 0.00 0.00 175.35 173.66 3hx2 s LYS 84 N -1.59 2.52 0.78 1.68 -2.85 -1.26 -4.88 119.74 114.14 3hx2 s LYS 84 Ca 0.56 1.37 -0.15 0.00 -1.00 0.00 0.00 55.97 56.76 3hx2 s LYS 84 Cb -0.47 -1.92 0.03 0.00 -2.06 0.00 0.00 37.83 33.41 3hx2 s LYS 84 CO 0.59 -1.47 0.89 -2.30 0.10 0.00 0.00 175.35 173.16 3hx2 n PRO 85 N -2.81 0.24 0.22 1.78 -0.02 -1.26 -4.90 135.00 128.24 3hx2 n PRO 85 Ca 0.10 0.14 0.16 0.00 -2.02 0.00 0.00 63.50 61.88 3hx2 n PRO 85 Cb 0.52 -2.17 0.82 0.00 -0.02 0.00 0.00 33.50 32.64 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 -0.70 1.82 -2.41 3.55 0.00 -1.97 -3.44 119.26 116.11 3hx2 h ALA 86 Ca -0.46 -0.00 -0.18 0.00 0.00 0.00 0.00 54.91 54.27 3hx2 h ALA 86 Cb 1.32 0.01 -0.15 0.00 0.00 0.00 0.00 17.79 18.97 3hx2 h ALA 86 CO 0.44 -0.22 -0.65 -1.21 0.00 0.00 0.00 179.25 177.61 3hx2 s GLU 87 N -4.72 0.90 -0.05 0.00 0.41 -1.26 -5.04 118.70 108.94 3hx2 s GLU 87 Ca -0.05 -1.42 0.15 0.00 -0.41 0.00 0.00 54.97 53.25 3hx2 s GLU 87 Cb 0.16 0.24 -0.23 0.00 -1.78 0.00 0.00 34.13 32.52 3hx2 s GLU 87 CO 0.58 -0.25 0.28 -0.25 -0.49 0.00 0.00 175.26 175.13 3hx2 n ASP 88 N -0.08 1.44 -3.86 -0.19 8.00 -1.26 -4.92 116.55 115.68 3hx2 n ASP 88 Ca -0.06 0.00 -0.21 0.00 0.71 0.00 0.00 54.79 55.23 3hx2 n ASP 88 Cb 0.63 1.54 -0.17 0.00 -0.02 0.00 0.00 41.12 43.11 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 -2.93 0.80 0.00 -1.24 2.02 -1.26 -5.01 118.70 111.07 3hx2 s GLU 89 Ca -0.06 -0.05 0.26 0.00 0.02 0.00 0.00 54.97 55.14 3hx2 s GLU 89 Cb 0.09 -0.90 0.71 0.00 0.10 0.00 0.00 34.13 34.12 3hx2 s GLU 89 CO 0.64 -0.15 1.55 0.91 0.02 0.00 0.00 175.26 178.23 3hx2 n TRP 90 N 4.38 0.00 -4.08 1.61 7.02 -1.26 -5.07 117.44 120.03 3hx2 n TRP 90 Ca -0.20 0.00 0.00 0.00 -1.02 0.00 0.00 57.50 56.28 3hx2 n TRP 90 Cb 0.51 -0.01 0.00 0.00 -2.42 0.00 0.00 31.31 29.39 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 1.25 0.30 3.92 6.99 0.00 -1.26 -3.68 105.19 112.71 3hx2 n GLY 91 Ca 0.17 -0.95 -0.26 0.00 0.00 0.00 0.00 46.02 44.98 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 3.52 0.24 1.61 1.02 -1.26 -4.90 119.74 119.97 3hx2 s LYS 92 Ca 0.00 -0.04 -0.15 0.00 0.02 0.00 0.00 55.97 55.80 3hx2 s LYS 92 Cb 0.00 -2.50 0.30 0.00 -0.52 0.00 0.00 37.83 35.10 3hx2 s LYS 92 CO 0.00 -0.04 1.56 1.15 -0.92 0.00 0.00 175.35 177.09 3hx2 h THR 93 N 0.47 0.02 -0.39 2.17 2.02 -2.00 0.28 112.91 115.48 3hx2 h THR 93 Ca -0.48 0.00 0.08 0.00 0.77 0.00 0.00 66.41 66.77 3hx2 h THR 93 Cb 1.21 0.02 -0.02 0.00 -1.74 0.00 0.00 68.15 67.62 3hx2 h THR 93 CO 0.62 0.00 0.27 -0.65 0.37 0.00 0.00 175.52 176.13 3hx2 h PRO 94 N -0.01 0.20 -0.29 6.66 0.11 -1.95 -0.16 132.00 136.55 3hx2 h PRO 94 Ca 0.38 -0.01 -0.16 0.00 0.11 0.00 0.00 66.00 66.32 3hx2 h PRO 94 Cb 0.63 -0.04 -0.00 0.00 0.11 0.00 0.00 31.00 31.70 3hx2 h PRO 94 CO -0.97 0.13 -0.43 -0.44 -0.21 0.00 0.00 178.00 176.08 3hx2 h ASP 95 N 0.20 0.89 -0.33 -2.05 3.45 -0.73 -2.56 116.42 115.29 3hx2 h ASP 95 Ca 0.18 -0.51 -0.15 0.00 0.43 0.00 0.00 57.03 56.98 3hx2 h ASP 95 Cb 0.45 -0.25 -0.01 0.00 -0.56 0.00 0.00 39.33 38.96 3hx2 h ASP 95 CO -0.03 1.22 -0.36 0.00 -1.57 0.00 0.00 179.24 178.51 3hx2 h ALA 96 N 0.69 0.66 -0.48 3.45 0.00 -0.86 -2.59 119.26 120.13 3hx2 h ALA 96 Ca 0.03 -0.44 -0.07 0.00 0.00 0.00 0.00 54.91 54.42 3hx2 h ALA 96 Cb 1.03 -0.13 -0.02 0.00 0.00 0.00 0.00 17.79 18.67 3hx2 h ALA 96 CO 0.10 0.67 -0.01 1.98 0.00 0.00 0.00 179.25 181.99 3hx2 h MET 97 N 0.72 0.79 -0.11 0.00 -1.53 -1.06 -0.35 114.93 113.40 3hx2 h MET 97 Ca 0.07 -0.22 -0.10 0.00 -3.44 0.00 0.00 59.70 56.01 3hx2 h MET 97 Cb 0.93 -0.09 -0.01 0.00 -0.55 0.00 0.00 31.60 31.88 3hx2 h MET 97 CO 0.09 0.80 -0.39 0.87 0.14 0.00 0.00 176.91 178.42 3hx2 h LYS 98 N 0.74 0.23 0.00 0.39 1.57 -1.37 -0.26 116.57 117.87 3hx2 h LYS 98 Ca 0.14 -0.10 -0.12 0.00 -1.87 0.00 0.00 60.65 58.70 3hx2 h LYS 98 Cb 0.46 -0.00 -0.02 0.00 0.08 0.00 0.00 32.23 32.75 3hx2 h LYS 98 CO 0.02 0.59 -0.56 0.00 -0.57 0.00 0.00 179.45 178.93 3hx2 h ALA 99 N 1.41 0.86 0.07 3.86 0.00 -1.00 -2.14 119.26 122.32 3hx2 h ALA 99 Ca 0.02 -0.51 -0.19 0.00 0.00 0.00 0.00 54.91 54.24 3hx2 h ALA 99 Cb 0.78 -0.09 0.02 0.00 0.00 0.00 0.00 17.79 18.50 3hx2 h ALA 99 CO 0.06 0.69 -0.77 0.00 0.00 0.00 0.00 179.25 179.23 3hx2 h ALA 100 N 1.44 -0.00 -0.90 0.00 0.00 -0.66 -2.52 119.26 116.62 3hx2 h ALA 100 Ca -0.01 -0.65 0.00 0.00 0.00 0.00 0.00 54.91 54.26 3hx2 h ALA 100 Cb 1.14 0.07 -0.04 0.00 0.00 0.00 0.00 17.79 18.95 3hx2 h ALA 100 CO 0.07 0.41 0.58 1.98 0.00 0.00 0.00 179.25 182.29 3hx2 h MET 101 N -0.15 1.19 -0.16 0.00 -1.53 -1.05 -0.80 114.93 112.43 3hx2 h MET 101 Ca -0.12 -0.08 -0.13 0.00 -3.44 0.00 0.00 59.70 55.93 3hx2 h MET 101 Cb 1.52 -0.26 -0.01 0.00 -0.55 0.00 0.00 31.60 32.30 3hx2 h MET 101 CO 0.15 0.80 -0.47 0.00 0.14 0.00 0.00 176.91 177.53 3hx2 h ALA 102 N 1.32 0.89 -0.49 0.39 0.00 -1.46 -1.07 119.26 118.85 3hx2 h ALA 102 Ca 0.33 -0.46 -0.05 0.00 0.00 0.00 0.00 54.91 54.72 3hx2 h ALA 102 Cb -0.11 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 17.56 3hx2 h ALA 102 CO -0.07 0.65 0.12 1.25 0.00 0.00 0.00 179.25 181.20 3hx2 h LEU 103 N 0.33 0.74 -0.30 0.00 5.85 -0.93 -1.95 115.31 119.05 3hx2 h LEU 103 Ca 0.02 -0.23 -0.09 0.00 0.84 0.00 0.00 57.88 58.41 3hx2 h LEU 103 Cb 0.95 -0.20 -0.01 0.00 0.37 0.00 0.00 40.66 41.78 3hx2 h LEU 103 CO 0.08 0.78 -0.18 -0.33 -0.34 0.00 0.00 178.44 178.45 3hx2 h GLU 104 N 0.67 0.65 0.00 1.25 4.39 -0.98 -1.73 114.58 118.83 3hx2 h GLU 104 Ca 0.15 -0.30 -0.01 0.00 0.34 0.00 0.00 59.36 59.54 3hx2 h GLU 104 Cb 0.33 -0.01 -0.00 0.00 -0.10 0.00 0.00 28.75 28.97 3hx2 h GLU 104 CO 0.00 0.89 -0.03 0.87 -1.16 0.00 0.00 179.01 179.58 3hx2 h LYS 105 N 0.40 0.00 0.03 2.33 1.57 -1.10 0.34 116.57 120.14 3hx2 h LYS 105 Ca 0.06 0.00 -0.00 0.00 -1.87 0.00 0.00 60.65 58.84 3hx2 h LYS 105 Cb 0.72 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.03 3hx2 h LYS 105 CO 0.05 0.03 -0.02 -0.22 -0.57 0.00 0.00 179.45 178.73 3hx2 h LYS 106 N 0.00 -0.05 -0.45 3.15 3.64 -1.03 -1.54 116.57 120.29 3hx2 h LYS 106 Ca -0.00 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.39 3hx2 h LYS 106 Cb 0.06 0.01 -0.02 0.00 -0.41 0.00 0.00 32.23 31.87 3hx2 h LYS 106 CO 0.00 0.43 0.29 -0.07 -2.27 0.00 0.00 179.45 177.83 3hx2 h LEU 107 N -0.54 0.52 -0.31 5.20 3.38 -0.49 -2.13 115.31 120.95 3hx2 h LEU 107 Ca -0.00 -0.03 0.05 0.00 0.09 0.00 0.00 57.88 57.99 3hx2 h LEU 107 Cb 0.49 -0.13 -0.05 0.00 0.09 0.00 0.00 40.66 41.07 3hx2 h LEU 107 CO 0.01 0.39 0.02 -1.13 0.09 0.00 0.00 178.44 177.82 3hx2 h ASN 108 N 0.61 -0.08 -0.07 -0.43 -1.24 -0.34 0.57 115.58 114.60 3hx2 h ASN 108 Ca 0.16 0.06 -0.01 0.00 0.71 0.00 0.00 56.30 57.23 3hx2 h ASN 108 Cb -0.05 0.11 -0.01 0.00 0.73 0.00 0.00 38.32 39.10 3hx2 h ASN 108 CO -0.03 -0.01 0.02 -0.61 -1.29 0.00 0.00 177.43 175.51 3hx2 h GLN 109 N 0.11 0.15 -0.12 6.67 5.75 -1.00 0.17 115.11 126.84 3hx2 h GLN 109 Ca 0.15 -0.01 -0.18 0.00 -0.15 0.00 0.00 58.65 58.46 3hx2 h GLN 109 Cb 0.19 -0.03 -0.00 0.00 1.07 0.00 0.00 27.48 28.70 3hx2 h GLN 109 CO -0.23 0.14 -0.67 0.00 -2.65 0.00 0.00 178.83 175.42 3hx2 h ALA 110 N 1.88 0.61 -0.04 3.38 0.00 -0.41 -1.50 119.26 123.18 3hx2 h ALA 110 Ca 0.04 -0.57 -0.01 0.00 0.00 0.00 0.00 54.91 54.36 3hx2 h ALA 110 Cb 0.07 -0.06 -0.00 0.00 0.00 0.00 0.00 17.79 17.79 3hx2 h ALA 110 CO -0.00 0.73 -0.03 -0.07 0.00 0.00 0.00 179.25 179.88 3hx2 h LEU 111 N 0.34 0.10 -1.15 0.00 3.38 0.55 -1.22 115.31 117.31 3hx2 h LEU 111 Ca -0.02 -0.46 0.06 0.00 0.09 0.00 0.00 57.88 57.55 3hx2 h LEU 111 Cb 1.24 -0.03 -0.06 0.00 0.09 0.00 0.00 40.66 41.90 3hx2 h LEU 111 CO 0.12 0.54 0.59 -0.07 0.09 0.00 0.00 178.44 179.71 3hx2 h LEU 112 N -0.34 0.91 -0.70 1.67 3.38 -0.72 0.39 115.31 119.90 3hx2 h LEU 112 Ca 0.01 0.00 -0.10 0.00 0.09 0.00 0.00 57.88 57.88 3hx2 h LEU 112 Cb 0.51 -0.19 -0.02 0.00 0.09 0.00 0.00 40.66 41.05 3hx2 h LEU 112 CO 0.01 0.59 -0.07 0.44 0.09 0.00 0.00 178.44 179.50 3hx2 h ASP 113 N 1.04 0.92 0.18 -0.43 3.45 -1.19 -1.61 116.42 118.77 3hx2 h ASP 113 Ca 0.38 -0.28 -0.14 0.00 0.43 0.00 0.00 57.03 57.43 3hx2 h ASP 113 Cb 0.17 -0.25 -0.01 0.00 -0.56 0.00 0.00 39.33 38.68 3hx2 h ASP 113 CO -0.14 1.02 -0.51 0.25 -1.57 0.00 0.00 179.24 178.29 3hx2 h LEU 114 N 0.85 0.41 -0.48 1.55 5.85 -0.01 -1.76 115.31 121.71 3hx2 h LEU 114 Ca 0.14 -0.21 -0.16 0.00 0.84 0.00 0.00 57.88 58.50 3hx2 h LEU 114 Cb 0.60 -0.12 -0.01 0.00 0.37 0.00 0.00 40.66 41.51 3hx2 h LEU 114 CO 0.04 0.85 -0.51 -0.74 -0.34 0.00 0.00 178.44 177.74 3hx2 h HIS 115 N 0.30 0.82 -0.54 1.25 2.76 -0.72 -1.82 115.15 117.20 3hx2 h HIS 115 Ca 0.01 -0.28 -0.09 0.00 -2.20 0.00 0.00 60.37 57.81 3hx2 h HIS 115 Cb 1.00 -0.16 -0.02 0.00 1.55 0.00 0.00 27.41 29.78 3hx2 h HIS 115 CO 0.03 1.04 -0.03 0.00 -1.30 0.00 0.00 177.93 177.67 3hx2 h ALA 116 N 0.91 0.93 -0.31 5.26 0.00 -1.16 -1.03 119.26 123.86 3hx2 h ALA 116 Ca 0.02 -0.30 -0.05 0.00 0.00 0.00 0.00 54.91 54.58 3hx2 h ALA 116 Cb 1.06 -0.21 -0.02 0.00 0.00 0.00 0.00 17.79 18.63 3hx2 h ALA 116 CO 0.10 0.63 -0.01 1.25 0.00 0.00 0.00 179.25 181.23 3hx2 h LEU 117 N 0.86 0.45 -0.68 0.00 5.85 -1.16 -1.80 115.31 118.83 3hx2 h LEU 117 Ca 0.15 -0.08 -0.14 0.00 0.84 0.00 0.00 57.88 58.65 3hx2 h LEU 117 Cb 0.54 -0.12 -0.01 0.00 0.37 0.00 0.00 40.66 41.44 3hx2 h LEU 117 CO 0.03 0.53 -0.57 1.23 -0.34 0.00 0.00 178.44 179.32 3hx2 h GLY 118 N 0.81 0.29 0.74 3.75 0.00 -0.51 -2.66 103.07 105.49 3hx2 h GLY 118 Ca 0.10 -0.34 -0.01 0.00 0.00 0.00 0.00 47.33 47.08 3hx2 h GLY 118 CO 0.01 0.31 -0.08 1.76 0.00 0.00 0.00 176.54 178.54 3hx2 h SER 119 N 0.20 -0.19 -0.00 0.19 0.02 -0.40 0.16 113.55 113.53 3hx2 h SER 119 Ca -0.00 -0.20 0.00 0.00 -0.84 0.00 0.00 61.79 60.75 3hx2 h SER 119 Cb 1.06 0.05 -0.00 0.00 0.14 0.00 0.00 62.40 63.65 3hx2 h SER 119 CO 0.09 0.10 0.00 0.00 -1.14 0.00 0.00 176.83 175.88 3hx2 h ALA 120 N 0.29 1.68 -0.53 3.77 0.00 -1.39 0.25 119.26 123.33 3hx2 h ALA 120 Ca -0.02 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.89 3hx2 h ALA 120 Cb 0.38 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.17 3hx2 h ALA 120 CO 0.04 -0.00 0.00 0.54 0.00 0.00 0.00 179.25 179.82 3hx2 n ARG 121 N -4.07 2.47 -3.93 0.00 5.12 -1.01 -4.96 116.66 110.29 3hx2 n ARG 121 Ca -0.03 -2.26 -0.40 0.00 -1.93 0.00 0.00 57.85 53.22 3hx2 n ARG 121 Cb 0.09 -1.51 0.03 0.00 -1.16 0.00 0.00 32.46 29.91 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 1.39 -3.82 -3.70 0.55 -2.24 0.86 -4.92 114.28 102.40 3hx2 n THR 122 Ca 0.21 -0.66 -0.34 0.00 -2.27 0.00 0.00 64.05 60.98 3hx2 n THR 122 Cb 0.56 -3.02 -0.08 0.00 -2.10 0.00 0.00 70.33 65.69 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 -3.46 5.74 0.48 3.42 -1.08 0.47 -4.94 116.67 117.29 3hx2 s ASP 123 Ca 0.45 -3.73 0.15 0.00 -0.52 0.00 0.00 52.55 48.89 3hx2 s ASP 123 Cb -0.22 -1.85 1.11 0.00 -1.46 0.00 0.00 42.92 40.50 3hx2 s ASP 123 CO 0.93 -0.17 2.06 1.55 0.52 0.00 0.00 175.17 180.07 3hx2 h PRO 124 N 5.90 0.03 -0.23 4.34 0.13 -1.91 -2.22 132.00 138.04 3hx2 h PRO 124 Ca 0.15 -0.00 -0.15 0.00 -0.87 0.00 0.00 66.00 65.12 3hx2 h PRO 124 Cb 0.80 -0.01 -0.01 0.00 0.13 0.00 0.00 31.00 31.92 3hx2 h PRO 124 CO 0.82 0.11 -0.48 1.25 -0.23 0.00 0.00 178.00 179.48 3hx2 h HIS 125 N 0.03 0.76 0.14 1.56 -0.00 -1.97 -0.44 115.15 115.23 3hx2 h HIS 125 Ca 0.01 -0.25 -0.01 0.00 -0.00 0.00 0.00 60.37 60.12 3hx2 h HIS 125 Cb 0.16 -0.15 0.00 0.00 -0.00 0.00 0.00 27.41 27.42 3hx2 h HIS 125 CO 0.00 0.98 -0.07 1.25 -0.00 0.00 0.00 177.93 180.09 3hx2 h LEU 126 N 0.49 -0.16 -0.65 0.26 5.85 -1.88 -2.09 115.31 117.13 3hx2 h LEU 126 Ca 0.03 -0.17 0.11 0.00 0.84 0.00 0.00 57.88 58.68 3hx2 h LEU 126 Cb 1.02 0.04 -0.08 0.00 0.37 0.00 0.00 40.66 42.01 3hx2 h LEU 126 CO 0.10 0.08 0.25 0.00 -0.34 0.00 0.00 178.44 178.52 3hx2 h ASP 128 N 0.42 0.52 -0.48 0.00 3.58 -1.04 -1.84 116.42 117.57 3hx2 h ASP 128 Ca 0.34 -0.14 0.01 0.00 0.42 0.00 0.00 57.03 57.65 3hx2 h ASP 128 Cb 0.45 -0.14 -0.02 0.00 1.72 0.00 0.00 39.33 41.33 3hx2 h ASP 128 CO -0.34 0.69 0.31 0.15 -2.88 0.00 0.00 179.24 177.18 3hx2 h PHE 129 N 0.48 0.59 -0.05 0.28 3.04 -0.45 -0.80 116.94 120.04 3hx2 h PHE 129 Ca 0.08 0.01 -0.15 0.00 3.98 0.00 0.00 57.97 61.90 3hx2 h PHE 129 Cb 0.54 -0.20 -0.01 0.00 2.56 0.00 0.00 35.95 38.84 3hx2 h PHE 129 CO 0.02 0.37 -0.65 -0.07 -2.02 0.00 0.00 178.31 175.95 3hx2 h LEU 130 N 0.64 0.25 -0.59 0.59 3.38 -1.15 -2.21 115.31 116.23 3hx2 h LEU 130 Ca 0.18 -0.15 -0.15 0.00 0.09 0.00 0.00 57.88 57.84 3hx2 h LEU 130 Cb -0.06 -0.07 -0.01 0.00 0.09 0.00 0.00 40.66 40.61 3hx2 h LEU 130 CO -0.04 0.83 -0.58 -0.33 0.09 0.00 0.00 178.44 178.41 3hx2 h GLU 131 N 0.15 0.40 0.00 1.13 5.08 -1.05 0.37 114.58 120.67 3hx2 h GLU 131 Ca -0.01 -0.26 -0.00 0.00 -1.00 0.00 0.00 59.36 58.09 3hx2 h GLU 131 Cb 1.18 0.03 -0.00 0.00 0.50 0.00 0.00 28.75 30.46 3hx2 h GLU 131 CO 0.10 0.86 -0.00 1.15 -1.00 0.00 0.00 179.01 180.12 3hx2 h THR 132 N 0.30 1.65 -0.02 1.13 2.02 -1.14 -3.38 112.91 113.47 3hx2 h THR 132 Ca -0.00 -2.24 0.00 0.00 0.77 0.00 0.00 66.41 64.94 3hx2 h THR 132 Cb 1.10 3.13 0.00 0.00 -1.74 0.00 0.00 68.15 70.64 3hx2 h THR 132 CO 0.10 0.56 -0.10 1.41 0.37 0.00 0.00 175.52 177.86 3hx2 n HIS 133 N -4.62 0.00 0.07 3.16 8.25 -0.83 -4.84 115.22 116.41 3hx2 n HIS 133 Ca -0.09 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.37 3hx2 n HIS 133 Cb 0.44 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.55 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 0.78 -1.05 -0.29 4.41 3.72 -0.82 -4.75 117.46 119.46 3hx2 n PHE 134 Ca 0.10 0.19 0.23 0.00 -0.05 0.00 0.00 57.45 57.92 3hx2 n PHE 134 Cb 0.46 0.33 0.55 0.00 -0.94 0.00 0.00 39.48 39.88 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 0.36 0.00 4.37 3.38 -0.47 -1.99 115.31 120.96 3hx2 h LEU 135 Ca 0.00 0.06 -0.05 0.00 0.09 0.00 0.00 57.88 57.97 3hx2 h LEU 135 Cb 0.13 -0.00 -0.01 0.00 0.09 0.00 0.00 40.66 40.87 3hx2 h LEU 135 CO 0.00 0.09 -0.30 -0.78 0.09 0.00 0.00 178.44 177.55 3hx2 h ASP 136 N 0.33 0.00 -1.16 -0.43 -0.00 -1.82 -3.13 116.42 110.21 3hx2 h ASP 136 Ca 0.55 -0.82 0.33 0.00 -0.00 0.00 0.00 57.03 57.08 3hx2 h ASP 136 Cb 1.51 0.00 -0.07 0.00 -0.00 0.00 0.00 39.33 40.77 3hx2 h ASP 136 CO -0.21 1.08 0.80 -0.33 -0.00 0.00 0.00 179.24 180.58 3hx2 h GLU 137 N -1.00 0.15 0.05 0.28 4.39 -1.76 0.11 114.58 116.80 3hx2 h GLU 137 Ca -0.08 -0.01 -0.08 0.00 0.34 0.00 0.00 59.36 59.53 3hx2 h GLU 137 Cb 1.01 -0.03 0.01 0.00 -0.10 0.00 0.00 28.75 29.64 3hx2 h GLU 137 CO -0.05 0.10 -0.36 0.93 -1.16 0.00 0.00 179.01 178.47 3hx2 h GLU 138 N 0.15 0.16 -0.58 2.33 4.39 -1.49 -2.51 114.58 117.03 3hx2 h GLU 138 Ca 0.61 -0.24 0.07 0.00 0.34 0.00 0.00 59.36 60.14 3hx2 h GLU 138 Cb 2.04 0.08 -0.03 0.00 -0.10 0.00 0.00 28.75 30.74 3hx2 h GLU 138 CO -0.15 1.07 0.39 0.28 -1.16 0.00 0.00 179.01 179.43 3hx2 h VAL 139 N -0.63 0.97 -0.07 3.13 2.07 -0.95 0.86 116.25 121.63 3hx2 h VAL 139 Ca -0.06 -0.18 -0.07 0.00 0.82 0.00 0.00 66.70 67.21 3hx2 h VAL 139 Cb 1.23 0.40 0.00 0.00 -1.52 0.00 0.00 31.29 31.41 3hx2 h VAL 139 CO 0.07 0.10 -0.24 0.11 0.02 0.00 0.00 177.57 177.62 3hx2 h LYS 140 N 0.52 0.28 -0.13 1.57 1.57 -0.95 -2.60 116.57 116.83 3hx2 h LYS 140 Ca 0.26 -0.21 -0.07 0.00 -1.87 0.00 0.00 60.65 58.75 3hx2 h LYS 140 Cb 0.34 0.04 -0.01 0.00 0.08 0.00 0.00 32.23 32.67 3hx2 h LYS 140 CO -0.07 0.85 -0.24 1.25 -0.57 0.00 0.00 179.45 180.66 3hx2 h LEU 141 N -0.22 0.23 -0.48 2.94 5.85 -0.97 -0.35 115.31 122.32 3hx2 h LEU 141 Ca -0.01 -0.07 -0.17 0.00 0.84 0.00 0.00 57.88 58.48 3hx2 h LEU 141 Cb 0.88 -0.06 -0.02 0.00 0.37 0.00 0.00 40.66 41.83 3hx2 h LEU 141 CO 0.05 0.48 -0.76 0.40 -0.34 0.00 0.00 178.44 178.28 3hx2 h ILE 142 N 0.22 1.50 -0.12 4.05 2.04 -0.87 -1.50 117.51 122.82 3hx2 h ILE 142 Ca 0.04 -2.46 -0.19 0.00 1.00 0.00 0.00 64.86 63.25 3hx2 h ILE 142 Cb 0.55 2.33 -0.00 0.00 -0.74 0.00 0.00 36.82 38.96 3hx2 h ILE 142 CO 0.04 0.71 -0.70 0.50 0.00 0.00 0.00 178.15 178.70 3hx2 h LYS 143 N 0.06 0.54 -0.55 2.37 1.63 -1.02 -1.48 116.57 118.12 3hx2 h LYS 143 Ca -0.02 -0.41 -0.06 0.00 -0.85 0.00 0.00 60.65 59.31 3hx2 h LYS 143 Cb 1.33 0.08 -0.02 0.00 -0.60 0.00 0.00 32.23 33.02 3hx2 h LYS 143 CO 0.11 1.04 0.10 -0.22 -3.45 0.00 0.00 179.45 177.03 3hx2 h LYS 144 N 0.38 0.90 0.00 1.90 3.64 -0.93 -1.52 116.57 120.95 3hx2 h LYS 144 Ca -0.03 -0.23 -0.12 0.00 -1.27 0.00 0.00 60.65 59.00 3hx2 h LYS 144 Cb 1.28 -0.11 -0.02 0.00 -0.41 0.00 0.00 32.23 32.97 3hx2 h LYS 144 CO 0.13 0.86 -0.55 0.52 -2.27 0.00 0.00 179.45 178.14 3hx2 h MET 145 N 0.80 0.00 -0.03 1.90 2.86 -1.21 -2.12 114.93 117.13 3hx2 h MET 145 Ca 0.17 0.00 -0.16 0.00 -2.06 0.00 0.00 59.70 57.65 3hx2 h MET 145 Cb 0.39 0.00 -0.01 0.00 0.06 0.00 0.00 31.60 32.03 3hx2 h MET 145 CO 0.01 0.55 -0.71 0.78 1.06 0.00 0.00 176.91 178.60 3hx2 h GLY 146 N 1.82 0.18 0.96 8.32 0.00 -0.95 -1.97 103.07 111.42 3hx2 h GLY 146 Ca -0.01 -0.26 -0.10 0.00 0.00 0.00 0.00 47.33 46.97 3hx2 h GLY 146 CO 0.07 0.23 -0.19 -0.55 0.00 0.00 0.00 176.54 176.10 3hx2 h ASP 147 N 0.11 0.73 -0.09 0.19 5.19 -1.05 -2.46 116.42 119.04 3hx2 h ASP 147 Ca -0.02 -0.42 -0.00 0.00 -0.62 0.00 0.00 57.03 55.97 3hx2 h ASP 147 Cb 1.25 -0.20 -0.00 0.00 0.18 0.00 0.00 39.33 40.56 3hx2 h ASP 147 CO 0.10 0.99 0.05 0.45 -3.12 0.00 0.00 179.24 177.71 3hx2 h HIS 148 N 0.47 0.14 -0.98 4.55 3.86 -1.33 -1.87 115.15 119.98 3hx2 h HIS 148 Ca 0.07 -0.01 0.10 0.00 -1.16 0.00 0.00 60.37 59.38 3hx2 h HIS 148 Cb 0.73 -0.04 -0.08 0.00 1.06 0.00 0.00 27.41 29.08 3hx2 h HIS 148 CO 0.06 0.20 0.62 -0.07 0.86 0.00 0.00 177.93 179.60 3hx2 h LEU 149 N 0.03 0.93 -0.72 2.43 3.38 -1.33 0.37 115.31 120.41 3hx2 h LEU 149 Ca 0.03 0.04 -0.13 0.00 0.09 0.00 0.00 57.88 57.91 3hx2 h LEU 149 Cb 0.12 -0.15 -0.01 0.00 0.09 0.00 0.00 40.66 40.70 3hx2 h LEU 149 CO -0.00 0.53 -0.46 0.74 0.09 0.00 0.00 178.44 179.33 3hx2 h THR 150 N 1.02 1.32 -0.06 0.22 2.02 -1.20 -1.66 112.91 114.57 3hx2 h THR 150 Ca 0.47 -1.67 -0.20 0.00 0.77 0.00 0.00 66.41 65.78 3hx2 h THR 150 Cb 0.39 1.70 -0.00 0.00 -1.74 0.00 0.00 68.15 68.50 3hx2 h THR 150 CO -0.24 0.51 -0.81 0.78 0.37 0.00 0.00 175.52 176.13 3hx2 h ASN 151 N 0.33 0.55 -0.19 4.18 2.35 -0.41 -2.75 115.58 119.65 3hx2 h ASN 151 Ca 0.02 -0.39 -0.02 0.00 -0.55 0.00 0.00 56.30 55.36 3hx2 h ASN 151 Cb 0.94 -0.17 -0.01 0.00 0.05 0.00 0.00 38.32 39.14 3hx2 h ASN 151 CO 0.08 1.16 0.02 -0.07 -1.65 0.00 0.00 177.43 176.97 3hx2 h LEU 152 N 0.29 0.30 -1.90 1.61 3.38 -0.14 -2.05 115.31 116.81 3hx2 h LEU 152 Ca -0.05 -0.27 -0.01 0.00 0.09 0.00 0.00 57.88 57.64 3hx2 h LEU 152 Cb 1.41 -0.08 -0.00 0.00 0.09 0.00 0.00 40.66 42.08 3hx2 h LEU 152 CO 0.14 0.50 -0.03 -0.74 0.09 0.00 0.00 178.44 178.40 3hx2 h HIS 153 N 0.10 0.00 0.00 1.13 2.76 -1.37 -2.65 115.15 115.12 3hx2 h HIS 153 Ca 0.06 0.00 -0.21 0.00 -2.20 0.00 0.00 60.37 58.02 3hx2 h HIS 153 Cb 0.33 0.00 -0.03 0.00 1.55 0.00 0.00 27.41 29.25 3hx2 h HIS 153 CO 0.02 0.03 -1.04 -0.09 -1.30 0.00 0.00 177.93 175.55 3hx2 h ARG 154 N 0.00 0.00 -1.10 5.26 2.43 -1.13 -3.34 114.38 116.50 3hx2 h ARG 154 Ca -0.00 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.17 3hx2 h ARG 154 Cb 0.37 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 29.92 3hx2 h ARG 154 CO 0.00 0.91 0.00 1.28 -1.51 0.00 0.00 179.97 180.65 3hx2 n LEU 155 N -3.31 1.55 -0.02 3.80 4.77 -0.81 -3.83 117.00 119.14 3hx2 n LEU 155 Ca -0.02 -0.77 -0.02 0.00 -0.03 0.00 0.00 56.01 55.17 3hx2 n LEU 155 Cb 0.94 -0.34 -0.01 0.00 -2.33 0.00 0.00 43.42 41.68 3hx2 n LEU 155 CO 0.46 0.28 -0.18 0.61 -1.33 0.00 0.00 177.39 177.23 3hx2 n GLY 156 N 0.49 -0.41 0.00 -0.72 0.00 -1.25 -4.93 105.19 98.37 3hx2 n GLY 156 Ca 0.00 -0.09 0.00 0.00 0.00 0.00 0.00 46.02 45.93 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 1.80 0.99 0.28 -0.02 0.00 -1.25 -4.89 105.19 102.10 3hx2 n GLY 157 Ca -0.04 -1.23 0.03 0.00 0.00 0.00 0.00 46.02 44.78 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 0.63 -2.22 1.61 0.13 -1.98 -3.11 132.00 127.06 3hx2 h PRO 158 Ca 0.00 -0.04 -0.27 0.00 -0.87 0.00 0.00 66.00 64.83 3hx2 h PRO 158 Cb 0.00 -0.14 -0.05 0.00 0.13 0.00 0.00 31.00 30.94 3hx2 h PRO 158 CO 0.00 0.42 0.38 0.39 -0.23 0.00 0.00 178.00 178.96 3hx2 n GLU 159 N -4.83 2.21 0.00 0.86 1.02 -1.26 -5.15 120.64 113.49 3hx2 n GLU 159 Ca 0.13 -1.17 0.06 0.00 -0.02 0.00 0.00 57.16 56.16 3hx2 n GLU 159 Cb 0.30 -2.12 0.37 0.00 -0.02 0.00 0.00 31.44 29.97 3hx2 n GLU 159 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31