#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 0.63 -0.12 7.83 0.15 -1.26 -5.11 113.70 115.81 3hx2 s SER 2 Ca 0.00 -0.20 -0.38 0.00 0.70 0.00 0.00 55.95 56.07 3hx2 s SER 2 Cb 0.00 -0.04 -0.15 0.00 -1.71 0.00 0.00 66.02 64.12 3hx2 s SER 2 CO 0.00 -0.01 1.66 -0.24 1.20 0.00 0.00 173.24 175.86 3hx2 n SER 3 N 2.60 2.46 0.00 5.45 2.88 -1.26 -4.84 113.62 120.91 3hx2 n SER 3 Ca -0.15 1.07 0.00 0.00 -1.33 0.00 0.00 58.87 58.45 3hx2 n SER 3 Cb 0.57 -1.22 0.00 0.00 -0.75 0.00 0.00 64.21 62.82 3hx2 n SER 3 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 3hx2 n GLN 4 N 4.79 0.00 0.00 -1.46 10.64 -1.26 -1.04 117.38 129.06 3hx2 n GLN 4 Ca 0.23 0.32 0.02 0.00 -1.83 0.00 0.00 57.00 55.74 3hx2 n GLN 4 Cb 0.19 -1.53 -0.02 0.00 -0.86 0.00 0.00 30.24 28.02 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 -1.30 0.00 -1.84 -0.39 -5.35 -1.26 -5.03 119.36 104.18 3hx2 n ILE 5 Ca 0.00 -0.42 -0.41 0.00 -0.27 0.00 0.00 62.75 61.65 3hx2 n ILE 5 Cb 0.03 1.02 -0.02 0.00 -1.74 0.00 0.00 39.64 38.93 3hx2 n ILE 5 CO 0.00 0.00 0.00 -0.60 -1.76 0.00 0.00 176.55 174.19 3hx2 s ARG 6 N -1.21 4.16 -0.30 6.28 3.52 -0.20 -4.80 118.95 126.39 3hx2 s ARG 6 Ca 0.02 2.51 -0.10 0.00 -0.13 0.00 0.00 55.73 58.03 3hx2 s ARG 6 Cb 0.03 -3.04 0.16 0.00 -1.56 0.00 0.00 34.95 30.55 3hx2 s ARG 6 CO 0.15 -0.56 0.82 -1.14 -0.81 0.00 0.00 175.30 173.76 3hx2 s GLN 7 N -0.64 0.42 -1.25 5.12 0.74 -1.26 -4.94 119.66 117.85 3hx2 s GLN 7 Ca 0.61 0.95 -0.01 0.00 0.05 0.00 0.00 55.36 56.96 3hx2 s GLN 7 Cb -0.46 0.56 0.00 0.00 1.10 0.00 0.00 33.01 34.21 3hx2 s GLN 7 CO 0.48 -0.25 0.19 -1.71 -0.55 0.00 0.00 175.29 173.46 3hx2 n ASN 8 N 5.28 -4.78 -4.01 6.67 5.15 -1.26 -4.98 115.26 117.33 3hx2 n ASN 8 Ca -0.08 -0.10 -0.31 0.00 -0.60 0.00 0.00 54.58 53.49 3hx2 n ASN 8 Cb 0.51 -3.79 -0.15 0.00 -0.53 0.00 0.00 39.78 35.82 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 3.68 0.45 1.20 5.04 -1.26 -4.80 117.35 118.80 3hx2 s TYR 9 Ca 0.10 -3.01 -0.25 0.00 -2.44 0.00 0.00 57.07 51.47 3hx2 s TYR 9 Cb -0.04 -2.93 -0.08 0.00 0.35 0.00 0.00 41.96 39.26 3hx2 s TYR 9 CO 0.12 -0.92 1.34 -1.54 -1.34 0.00 0.00 175.55 173.21 3hx2 s SER 10 N 0.77 5.94 0.05 4.32 1.04 -1.26 -4.87 113.70 119.69 3hx2 s SER 10 Ca 0.12 2.73 0.16 0.00 0.48 0.00 0.00 55.95 59.44 3hx2 s SER 10 Cb -0.20 -2.64 0.69 0.00 0.10 0.00 0.00 66.02 63.97 3hx2 s SER 10 CO -0.07 -1.11 1.51 0.35 0.98 0.00 0.00 173.24 174.90 3hx2 n THR 11 N -0.28 0.97 -0.03 2.02 -2.24 -1.26 -1.51 114.28 111.95 3hx2 n THR 11 Ca 0.06 0.25 -0.15 0.00 -2.27 0.00 0.00 64.05 61.94 3hx2 n THR 11 Cb 0.44 -1.03 -0.10 0.00 -2.10 0.00 0.00 70.33 67.53 3hx2 n THR 11 CO 0.00 0.00 0.00 0.44 -0.57 0.00 0.00 175.07 174.94 3hx2 h ASP 12 N 0.00 0.30 -0.18 3.42 3.45 -1.99 -2.42 116.42 118.99 3hx2 h ASP 12 Ca 0.00 -0.69 -0.03 0.00 0.43 0.00 0.00 57.03 56.74 3hx2 h ASP 12 Cb 0.27 -0.09 -0.01 0.00 -0.56 0.00 0.00 39.33 38.95 3hx2 h ASP 12 CO 0.00 0.94 0.00 0.58 -1.57 0.00 0.00 179.24 179.20 3hx2 h VAL 13 N -0.32 1.25 -0.66 -1.35 2.07 -1.77 -1.81 116.25 113.66 3hx2 h VAL 13 Ca -0.02 -0.84 0.12 0.00 0.82 0.00 0.00 66.70 66.78 3hx2 h VAL 13 Cb 0.95 1.45 -0.13 0.00 -1.52 0.00 0.00 31.29 32.05 3hx2 h VAL 13 CO 0.05 0.25 -0.28 -0.08 0.02 0.00 0.00 177.57 177.54 3hx2 h GLU 14 N 0.07 -0.09 0.00 1.57 4.81 -1.28 0.24 114.58 119.91 3hx2 h GLU 14 Ca 0.05 0.01 -0.07 0.00 -0.13 0.00 0.00 59.36 59.22 3hx2 h GLU 14 Cb 0.38 0.02 -0.01 0.00 0.63 0.00 0.00 28.75 29.77 3hx2 h GLU 14 CO 0.01 -0.06 -0.33 0.00 -0.73 0.00 0.00 179.01 177.90 3hx2 h ALA 15 N 1.30 0.99 -0.05 2.92 0.00 -1.37 -2.31 119.26 120.75 3hx2 h ALA 15 Ca 0.28 -0.30 -0.18 0.00 0.00 0.00 0.00 54.91 54.71 3hx2 h ALA 15 Cb 0.55 -0.05 -0.01 0.00 0.00 0.00 0.00 17.79 18.27 3hx2 h ALA 15 CO -0.72 0.42 -0.74 0.00 0.00 0.00 0.00 179.25 178.20 3hx2 h ALA 16 N 1.67 0.65 0.52 0.00 0.00 0.24 -2.94 119.26 119.39 3hx2 h ALA 16 Ca -0.00 -0.63 -0.03 0.00 0.00 0.00 0.00 54.91 54.25 3hx2 h ALA 16 Cb 0.88 -0.07 0.01 0.00 0.00 0.00 0.00 17.79 18.60 3hx2 h ALA 16 CO 0.04 0.80 -0.25 0.28 0.00 0.00 0.00 179.25 180.12 3hx2 h VAL 17 N 0.19 0.30 -0.04 0.00 2.07 -0.49 -1.43 116.25 116.85 3hx2 h VAL 17 Ca -0.03 -0.43 0.01 0.00 0.82 0.00 0.00 66.70 67.07 3hx2 h VAL 17 Cb 1.32 0.43 -0.00 0.00 -1.52 0.00 0.00 31.29 31.51 3hx2 h VAL 17 CO 0.12 0.05 0.38 0.78 0.02 0.00 0.00 177.57 178.92 3hx2 h ASN 18 N -1.03 0.00 0.10 0.57 2.35 -1.46 0.22 115.58 116.32 3hx2 h ASN 18 Ca -0.07 0.00 -0.20 0.00 -0.55 0.00 0.00 56.30 55.48 3hx2 h ASN 18 Cb 0.62 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.99 3hx2 h ASN 18 CO 0.12 0.00 -0.97 -1.28 -1.65 0.00 0.00 177.43 173.65 3hx2 h SER 19 N 0.00 0.32 -0.40 5.81 0.87 -1.32 -3.05 113.55 115.78 3hx2 h SER 19 Ca 0.02 -0.88 -0.01 0.00 -1.23 0.00 0.00 61.79 59.69 3hx2 h SER 19 Cb 0.78 -0.10 -0.02 0.00 -0.44 0.00 0.00 62.40 62.62 3hx2 h SER 19 CO -0.00 1.43 0.22 0.25 -0.53 0.00 0.00 176.83 178.21 3hx2 h LEU 20 N -0.50 0.52 0.10 2.23 5.85 0.43 0.17 115.31 124.11 3hx2 h LEU 20 Ca -0.21 -0.03 -0.00 0.00 0.84 0.00 0.00 57.88 58.48 3hx2 h LEU 20 Cb 1.56 -0.13 -0.00 0.00 0.37 0.00 0.00 40.66 42.46 3hx2 h LEU 20 CO 0.06 0.43 -0.05 0.58 -0.34 0.00 0.00 178.44 179.11 3hx2 h VAL 21 N 0.59 0.89 -0.02 1.05 2.07 -0.98 0.12 116.25 119.97 3hx2 h VAL 21 Ca 0.15 0.00 -0.05 0.00 0.82 0.00 0.00 66.70 67.62 3hx2 h VAL 21 Cb 0.03 0.89 -0.01 0.00 -1.52 0.00 0.00 31.29 30.69 3hx2 h VAL 21 CO -0.02 0.00 -0.23 -1.13 0.02 0.00 0.00 177.57 176.20 3hx2 h ASN 22 N -0.14 0.03 -0.35 0.57 -0.73 -1.25 0.37 115.58 114.08 3hx2 h ASN 22 Ca -0.01 -0.01 -0.15 0.00 1.87 0.00 0.00 56.30 58.00 3hx2 h ASN 22 Cb 0.11 -0.01 -0.01 0.00 0.27 0.00 0.00 38.32 38.69 3hx2 h ASN 22 CO 0.02 0.26 -0.35 0.25 -0.37 0.00 0.00 177.43 177.24 3hx2 h LEU 23 N 0.03 0.92 -0.28 0.34 5.85 0.09 -2.45 115.31 119.81 3hx2 h LEU 23 Ca 0.00 -0.47 -0.06 0.00 0.84 0.00 0.00 57.88 58.19 3hx2 h LEU 23 Cb 0.43 -0.26 -0.01 0.00 0.37 0.00 0.00 40.66 41.19 3hx2 h LEU 23 CO 0.03 1.20 -0.07 1.88 -0.34 0.00 0.00 178.44 181.14 3hx2 h TYR 24 N 0.66 0.61 -0.96 1.25 -1.99 -0.22 -1.55 116.97 114.77 3hx2 h TYR 24 Ca 0.06 -0.13 0.15 0.00 2.00 0.00 0.00 58.73 60.80 3hx2 h TYR 24 Cb 0.94 -0.15 -0.09 0.00 2.00 0.00 0.00 36.73 39.43 3hx2 h TYR 24 CO 0.07 0.75 0.57 -0.07 -0.00 0.00 0.00 178.16 179.47 3hx2 h LEU 25 N 0.30 0.78 -0.73 3.88 3.38 -0.88 0.26 115.31 122.29 3hx2 h LEU 25 Ca 0.07 0.07 -0.13 0.00 0.09 0.00 0.00 57.88 57.98 3hx2 h LEU 25 Cb 0.55 -0.07 -0.01 0.00 0.09 0.00 0.00 40.66 41.22 3hx2 h LEU 25 CO 0.03 0.35 -0.57 -0.61 0.09 0.00 0.00 178.44 177.73 3hx2 h GLN 26 N 0.82 0.20 0.06 1.13 4.15 -1.26 -1.55 115.11 118.65 3hx2 h GLN 26 Ca 0.51 -0.13 -0.00 0.00 0.77 0.00 0.00 58.65 59.80 3hx2 h GLN 26 Cb 0.65 0.02 0.00 0.00 0.21 0.00 0.00 27.48 28.36 3hx2 h GLN 26 CO -0.32 0.71 -0.03 0.00 -1.93 0.00 0.00 178.83 177.25 3hx2 h ALA 27 N 1.26 -0.08 -0.55 3.38 0.00 0.41 -2.13 119.26 121.55 3hx2 h ALA 27 Ca -0.00 -0.17 0.11 0.00 0.00 0.00 0.00 54.91 54.84 3hx2 h ALA 27 Cb 1.04 0.03 -0.09 0.00 0.00 0.00 0.00 17.79 18.77 3hx2 h ALA 27 CO 0.09 -0.38 -0.01 1.03 0.00 0.00 0.00 179.25 179.98 3hx2 h SER 28 N -0.42 -0.25 0.09 0.00 0.87 -0.55 0.14 113.55 113.42 3hx2 h SER 28 Ca -0.01 0.13 -0.01 0.00 -1.23 0.00 0.00 61.79 60.67 3hx2 h SER 28 Cb 0.37 0.24 -0.00 0.00 -0.44 0.00 0.00 62.40 62.57 3hx2 h SER 28 CO 0.01 -0.09 -0.07 0.22 -0.53 0.00 0.00 176.83 176.38 3hx2 h TYR 29 N 0.11 0.00 -0.10 2.24 3.20 -1.19 0.18 116.97 121.41 3hx2 h TYR 29 Ca 0.28 0.00 -0.16 0.00 3.14 0.00 0.00 58.73 61.99 3hx2 h TYR 29 Cb 0.43 0.00 0.01 0.00 1.54 0.00 0.00 36.73 38.71 3hx2 h TYR 29 CO -0.34 0.07 -0.56 1.15 -1.64 0.00 0.00 178.16 176.84 3hx2 h THR 30 N 0.00 1.35 -0.07 1.81 2.02 -0.07 -2.68 112.91 115.27 3hx2 h THR 30 Ca -0.00 -1.87 -0.12 0.00 0.77 0.00 0.00 66.41 65.19 3hx2 h THR 30 Cb 0.13 2.19 -0.01 0.00 -1.74 0.00 0.00 68.15 68.71 3hx2 h THR 30 CO 0.01 0.57 -0.50 1.88 0.37 0.00 0.00 175.52 177.85 3hx2 h TYR 31 N 0.17 0.24 0.29 3.16 0.05 -0.58 0.13 116.97 120.42 3hx2 h TYR 31 Ca -0.04 -0.08 -0.01 0.00 0.05 0.00 0.00 58.73 58.65 3hx2 h TYR 31 Cb 1.20 -0.05 0.00 0.00 1.01 0.00 0.00 36.73 38.89 3hx2 h TYR 31 CO 0.11 0.66 -0.16 1.25 -1.05 0.00 0.00 178.16 178.97 3hx2 h LEU 32 N 0.16 -0.40 -0.87 3.88 5.85 -0.66 -0.06 115.31 123.21 3hx2 h LEU 32 Ca 0.01 0.02 0.21 0.00 0.84 0.00 0.00 57.88 58.96 3hx2 h LEU 32 Cb 0.94 0.11 -0.12 0.00 0.37 0.00 0.00 40.66 41.95 3hx2 h LEU 32 CO 0.07 -0.26 0.34 -1.28 -0.34 0.00 0.00 178.44 176.98 3hx2 h SER 33 N -0.41 0.24 -0.85 1.25 0.87 -1.39 0.15 113.55 113.40 3hx2 h SER 33 Ca -0.04 0.16 -0.02 0.00 -1.23 0.00 0.00 61.79 60.66 3hx2 h SER 33 Cb 0.33 0.16 -0.04 0.00 -0.44 0.00 0.00 62.40 62.41 3hx2 h SER 33 CO 0.05 -0.03 0.47 -0.07 -0.53 0.00 0.00 176.83 176.72 3hx2 h LEU 34 N 0.36 1.07 0.47 2.23 3.38 -0.60 -2.25 115.31 119.97 3hx2 h LEU 34 Ca 0.54 -0.10 -0.02 0.00 0.09 0.00 0.00 57.88 58.39 3hx2 h LEU 34 Cb 1.01 -0.27 0.00 0.00 0.09 0.00 0.00 40.66 41.49 3hx2 h LEU 34 CO -0.54 0.86 -0.23 1.23 0.09 0.00 0.00 178.44 179.86 3hx2 h GLY 35 N 1.22 -0.66 2.00 0.83 0.00 0.13 -3.04 103.07 103.54 3hx2 h GLY 35 Ca 0.30 0.24 0.00 0.00 0.00 0.00 0.00 47.33 47.88 3hx2 h GLY 35 CO -0.05 -0.24 0.00 0.74 0.00 0.00 0.00 176.54 176.99 3hx2 h PHE 36 N -0.81 0.00 -0.20 5.60 -1.00 -1.38 -2.53 116.94 116.62 3hx2 h PHE 36 Ca -0.06 0.00 -0.18 0.00 2.81 0.00 0.00 57.97 60.53 3hx2 h PHE 36 Cb 0.56 0.00 0.00 0.00 3.61 0.00 0.00 35.95 40.13 3hx2 h PHE 36 CO -0.01 0.00 -0.58 -0.92 -1.61 0.00 0.00 178.31 175.20 3hx2 h TYR 37 N 0.00 0.97 0.00 -0.55 3.20 -1.29 -2.99 116.97 116.32 3hx2 h TYR 37 Ca 0.00 -0.39 0.00 0.00 3.14 0.00 0.00 58.73 61.48 3hx2 h TYR 37 Cb 0.21 -0.17 0.00 0.00 1.54 0.00 0.00 36.73 38.32 3hx2 h TYR 37 CO 0.00 1.20 0.00 1.19 -1.64 0.00 0.00 178.16 178.91 3hx2 n PHE 38 N -4.07 0.00 1.05 -3.82 3.72 -0.96 -2.65 117.46 110.73 3hx2 n PHE 38 Ca -0.06 0.00 0.12 0.00 -0.05 0.00 0.00 57.45 57.46 3hx2 n PHE 38 Cb 0.64 -0.44 0.26 0.00 -0.94 0.00 0.00 39.48 39.00 3hx2 n PHE 38 CO 0.00 0.00 0.00 -3.47 -0.05 0.00 0.00 176.76 173.24 3hx2 n ASP 39 N -1.44 0.63 -4.76 4.37 -0.08 -1.13 -1.06 116.55 113.08 3hx2 n ASP 39 Ca 0.07 -0.41 -0.39 0.00 -1.51 0.00 0.00 54.79 52.55 3hx2 n ASP 39 Cb 0.25 0.26 0.02 0.00 2.34 0.00 0.00 41.12 43.99 3hx2 n ASP 39 CO 0.00 0.00 0.00 -0.13 0.12 0.00 0.00 177.20 177.19 3hx2 s ARG 40 N -2.90 3.50 0.61 -0.67 0.52 -1.08 -4.69 118.95 114.23 3hx2 s ARG 40 Ca 0.13 2.19 0.36 0.00 -0.52 0.00 0.00 55.73 57.90 3hx2 s ARG 40 Cb 0.18 -2.45 1.96 0.00 0.52 0.00 0.00 34.95 35.15 3hx2 s ARG 40 CO 0.67 -0.89 2.24 0.38 0.02 0.00 0.00 175.30 177.72 3hx2 h ASP 41 N 1.95 0.00 0.29 0.23 2.03 -1.91 0.54 116.42 119.55 3hx2 h ASP 41 Ca -0.50 0.00 0.00 0.00 -0.73 0.00 0.00 57.03 55.80 3hx2 h ASP 41 Cb 1.27 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 39.77 3hx2 h ASP 41 CO 0.59 0.03 -0.34 -0.90 -1.03 0.00 0.00 179.24 177.59 3hx2 n ASP 42 N -3.41 0.93 -0.01 4.15 3.85 -1.26 -4.35 116.55 116.45 3hx2 n ASP 42 Ca -0.02 -0.76 -0.04 0.00 -0.71 0.00 0.00 54.79 53.25 3hx2 n ASP 42 Cb 0.13 0.19 -0.01 0.00 -1.35 0.00 0.00 41.12 40.08 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 -0.85 1.28 -3.45 2.12 0.31 -0.54 -5.09 118.33 112.11 3hx2 n VAL 43 Ca 0.10 0.26 -0.23 0.00 -0.01 0.00 0.00 64.34 64.46 3hx2 n VAL 43 Cb 0.35 -1.88 0.01 0.00 -0.91 0.00 0.00 33.84 31.41 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 -3.86 -2.62 -3.43 3.52 0.00 0.18 -4.99 120.51 109.30 3hx2 n ALA 44 Ca -0.07 0.17 -0.28 0.00 0.00 0.00 0.00 53.44 53.26 3hx2 n ALA 44 Cb 0.25 -1.75 -0.11 0.00 0.00 0.00 0.00 19.45 17.84 3hx2 n ALA 44 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 3hx2 s LEU 45 N -3.68 1.42 0.36 0.00 1.43 -0.22 -5.00 118.68 112.99 3hx2 s LEU 45 Ca 0.16 -2.89 0.08 0.00 -1.03 0.00 0.00 54.13 50.44 3hx2 s LEU 45 Cb -0.02 -0.47 0.79 0.00 0.03 0.00 0.00 46.19 46.52 3hx2 s LEU 45 CO 0.85 -0.20 1.91 -0.08 0.23 0.00 0.00 176.35 179.06 3hx2 h GLU 46 N 5.94 0.69 -0.00 1.70 4.81 -1.95 0.32 114.58 126.09 3hx2 h GLU 46 Ca 0.22 -0.04 0.00 0.00 -0.13 0.00 0.00 59.36 59.40 3hx2 h GLU 46 Cb 0.92 -0.16 -0.00 0.00 0.63 0.00 0.00 28.75 30.14 3hx2 h GLU 46 CO 0.36 0.46 0.00 0.78 -0.73 0.00 0.00 179.01 179.88 3hx2 h GLY 47 N 0.71 0.00 0.81 1.92 0.00 -1.95 -0.74 103.07 103.83 3hx2 h GLY 47 Ca 0.39 -0.00 -0.02 0.00 0.00 0.00 0.00 47.33 47.70 3hx2 h GLY 47 CO -0.16 0.00 0.02 -2.08 0.00 0.00 0.00 176.54 174.33 3hx2 h VAL 48 N -0.02 1.22 -0.95 4.60 2.07 -1.88 -2.40 116.25 118.88 3hx2 h VAL 48 Ca 0.00 -0.71 0.12 0.00 0.82 0.00 0.00 66.70 66.93 3hx2 h VAL 48 Cb 0.02 1.40 -0.08 0.00 -1.52 0.00 0.00 31.29 31.12 3hx2 h VAL 48 CO -0.00 0.21 0.61 -1.28 0.02 0.00 0.00 177.57 177.13 3hx2 h SER 49 N 0.03 0.84 -0.41 0.57 0.87 -0.79 -1.06 113.55 113.59 3hx2 h SER 49 Ca 0.05 0.04 -0.10 0.00 -1.23 0.00 0.00 61.79 60.54 3hx2 h SER 49 Cb 0.30 -0.13 -0.01 0.00 -0.44 0.00 0.00 62.40 62.12 3hx2 h SER 49 CO 0.00 0.45 -0.14 -0.74 -0.53 0.00 0.00 176.83 175.87 3hx2 h HIS 50 N 0.90 0.93 -0.40 2.24 6.17 -1.00 -2.49 115.15 121.51 3hx2 h HIS 50 Ca 0.47 -0.21 0.08 0.00 0.71 0.00 0.00 60.37 61.41 3hx2 h HIS 50 Cb 0.52 -0.22 -0.07 0.00 2.52 0.00 0.00 27.41 30.15 3hx2 h HIS 50 CO -0.00 0.96 -0.08 0.35 0.71 0.00 0.00 177.93 179.86 3hx2 h PHE 51 N 0.63 -0.18 -0.18 5.26 3.57 -0.69 -0.11 116.94 125.23 3hx2 h PHE 51 Ca 0.10 0.03 -0.16 0.00 3.53 0.00 0.00 57.97 61.47 3hx2 h PHE 51 Cb 0.68 0.14 -0.01 0.00 2.79 0.00 0.00 35.95 39.56 3hx2 h PHE 51 CO 0.05 -0.16 -0.54 0.74 -2.23 0.00 0.00 178.31 176.17 3hx2 h PHE 52 N 0.02 0.67 0.00 0.41 0.05 -1.42 -2.51 116.94 114.16 3hx2 h PHE 52 Ca 0.19 -0.23 -0.06 0.00 3.82 0.00 0.00 57.97 61.69 3hx2 h PHE 52 Cb 0.29 -0.13 -0.01 0.00 2.00 0.00 0.00 35.95 38.11 3hx2 h PHE 52 CO -0.34 0.96 -0.29 0.00 -0.18 0.00 0.00 178.31 178.46 3hx2 h ARG 53 N 0.41 0.00 -0.08 1.51 3.08 -0.94 0.13 114.38 118.49 3hx2 h ARG 53 Ca 0.01 0.00 -0.02 0.00 0.07 0.00 0.00 59.98 60.04 3hx2 h ARG 53 Cb 1.08 0.00 -0.00 0.00 0.08 0.00 0.00 29.97 31.13 3hx2 h ARG 53 CO 0.10 0.29 -0.04 0.93 -1.07 0.00 0.00 179.97 180.18 3hx2 h GLU 54 N 0.00 0.17 -0.94 0.04 5.08 -0.86 -2.90 114.58 115.17 3hx2 h GLU 54 Ca -0.00 -0.07 0.02 0.00 -1.00 0.00 0.00 59.36 58.30 3hx2 h GLU 54 Cb 0.57 -0.00 -0.05 0.00 0.50 0.00 0.00 28.75 29.77 3hx2 h GLU 54 CO 0.04 0.53 0.62 -0.07 -1.00 0.00 0.00 179.01 179.13 3hx2 h LEU 55 N -0.20 1.07 -2.06 1.33 3.38 -0.93 0.16 115.31 118.06 3hx2 h LEU 55 Ca 0.02 -0.02 0.02 0.00 0.09 0.00 0.00 57.88 57.99 3hx2 h LEU 55 Cb 0.48 -0.26 -0.00 0.00 0.09 0.00 0.00 40.66 40.97 3hx2 h LEU 55 CO 0.01 0.76 0.06 0.00 0.09 0.00 0.00 178.44 179.36 3hx2 h ALA 56 N 1.36 2.00 0.05 1.53 0.00 -0.71 0.06 119.26 123.56 3hx2 h ALA 56 Ca 0.35 -0.00 -0.27 0.00 0.00 0.00 0.00 54.91 54.99 3hx2 h ALA 56 Cb -0.11 0.01 -0.02 0.00 0.00 0.00 0.00 17.79 17.66 3hx2 h ALA 56 CO -0.09 -0.10 -1.37 1.49 0.00 0.00 0.00 179.25 179.19 3hx2 h GLU 57 N 0.00 0.10 -0.51 0.00 4.57 -0.89 -2.72 114.58 115.13 3hx2 h GLU 57 Ca 0.04 -0.18 -0.06 0.00 -1.18 0.00 0.00 59.36 57.97 3hx2 h GLU 57 Cb 0.15 0.07 -0.02 0.00 -0.16 0.00 0.00 28.75 28.79 3hx2 h GLU 57 CO -0.00 0.94 0.08 0.93 -1.18 0.00 0.00 179.01 179.77 3hx2 h GLU 58 N 0.03 0.85 -0.47 1.92 5.08 0.16 -0.29 114.58 121.87 3hx2 h GLU 58 Ca -0.16 -0.23 -0.03 0.00 -1.00 0.00 0.00 59.36 57.93 3hx2 h GLU 58 Cb 1.93 -0.10 -0.02 0.00 0.50 0.00 0.00 28.75 31.06 3hx2 h GLU 58 CO 0.13 0.84 0.18 0.87 -1.00 0.00 0.00 179.01 180.04 3hx2 h LYS 59 N 0.73 0.70 -0.04 2.33 1.79 -1.11 0.08 116.57 121.05 3hx2 h LYS 59 Ca 0.15 -0.13 -0.02 0.00 -2.18 0.00 0.00 60.65 58.47 3hx2 h LYS 59 Cb 0.41 -0.11 -0.00 0.00 -1.58 0.00 0.00 32.23 30.94 3hx2 h LYS 59 CO 0.01 0.64 -0.07 -0.09 -1.08 0.00 0.00 179.45 178.86 3hx2 h ARG 60 N 0.61 0.06 -0.15 3.15 2.43 -1.17 0.86 114.38 120.17 3hx2 h ARG 60 Ca 0.16 -0.01 -0.14 0.00 -0.81 0.00 0.00 59.98 59.17 3hx2 h ARG 60 Cb 0.21 -0.01 -0.01 0.00 -0.42 0.00 0.00 29.97 29.74 3hx2 h ARG 60 CO -0.01 0.13 -0.53 0.93 -1.51 0.00 0.00 179.97 178.98 3hx2 h GLU 61 N 0.06 0.42 0.53 0.20 5.08 0.03 -2.55 114.58 118.34 3hx2 h GLU 61 Ca 0.01 -0.25 -0.03 0.00 -1.00 0.00 0.00 59.36 58.09 3hx2 h GLU 61 Cb 0.16 0.02 0.01 0.00 0.50 0.00 0.00 28.75 29.44 3hx2 h GLU 61 CO 0.01 0.84 -0.26 0.78 -1.00 0.00 0.00 179.01 179.39 3hx2 h GLY 62 N 1.20 -0.75 2.00 -3.84 0.00 0.10 -1.76 103.07 100.03 3hx2 h GLY 62 Ca 0.01 0.28 -0.00 0.00 0.00 0.00 0.00 47.33 47.62 3hx2 h GLY 62 CO 0.09 -0.27 -0.00 0.10 0.00 0.00 0.00 176.54 176.46 3hx2 h TYR 63 N -0.96 0.00 0.04 5.60 -0.00 -1.32 -1.29 116.97 119.04 3hx2 h TYR 63 Ca -0.07 0.00 -0.27 0.00 0.00 0.00 0.00 58.73 58.39 3hx2 h TYR 63 Cb 0.62 0.00 0.02 0.00 0.00 0.00 0.00 36.73 37.37 3hx2 h TYR 63 CO 0.00 0.00 -1.09 1.49 -0.00 0.00 0.00 178.16 178.57 3hx2 h GLU 64 N 0.00 0.57 -0.47 0.10 4.81 -1.32 -2.24 114.58 116.03 3hx2 h GLU 64 Ca -0.00 -0.67 -0.12 0.00 -0.13 0.00 0.00 59.36 58.44 3hx2 h GLU 64 Cb 0.21 0.21 -0.01 0.00 0.63 0.00 0.00 28.75 29.78 3hx2 h GLU 64 CO 0.00 1.27 -0.17 -0.09 -0.73 0.00 0.00 179.01 179.29 3hx2 h ARG 65 N 0.29 0.95 0.59 1.92 2.43 -0.35 -1.60 114.38 118.61 3hx2 h ARG 65 Ca -0.13 -0.39 -0.03 0.00 -0.81 0.00 0.00 59.98 58.62 3hx2 h ARG 65 Cb 1.75 -0.04 0.00 0.00 -0.42 0.00 0.00 29.97 31.26 3hx2 h ARG 65 CO 0.20 1.06 -0.29 -0.07 -1.51 0.00 0.00 179.97 179.36 3hx2 h LEU 66 N 0.80 -0.69 -1.82 3.80 3.38 -1.31 -0.40 115.31 119.07 3hx2 h LEU 66 Ca 0.11 0.03 0.11 0.00 0.09 0.00 0.00 57.88 58.22 3hx2 h LEU 66 Cb 0.74 0.18 -0.03 0.00 0.09 0.00 0.00 40.66 41.65 3hx2 h LEU 66 CO 0.06 -0.49 0.35 -0.07 0.09 0.00 0.00 178.44 178.38 3hx2 h LEU 67 N -0.80 0.19 -0.23 1.67 3.38 -1.38 0.17 115.31 118.30 3hx2 h LEU 67 Ca -0.08 0.00 -0.06 0.00 0.09 0.00 0.00 57.88 57.84 3hx2 h LEU 67 Cb 0.62 -0.03 -0.01 0.00 0.09 0.00 0.00 40.66 41.33 3hx2 h LEU 67 CO 0.13 0.11 -0.08 0.50 0.09 0.00 0.00 178.44 179.18 3hx2 h LYS 68 N 0.21 0.47 -0.65 1.13 1.63 -0.77 -2.99 116.57 115.60 3hx2 h LYS 68 Ca 0.24 -0.19 -0.07 0.00 -0.85 0.00 0.00 60.65 59.78 3hx2 h LYS 68 Cb 0.66 -0.02 -0.03 0.00 -0.60 0.00 0.00 32.23 32.25 3hx2 h LYS 68 CO -0.04 0.72 0.13 1.98 -3.45 0.00 0.00 179.45 178.79 3hx2 h MET 69 N 0.20 1.06 0.02 1.90 4.05 0.66 -2.76 114.93 120.05 3hx2 h MET 69 Ca 0.06 -0.27 0.03 0.00 -0.28 0.00 0.00 59.70 59.24 3hx2 h MET 69 Cb 0.56 -0.13 -0.05 0.00 -0.80 0.00 0.00 31.60 31.18 3hx2 h MET 69 CO 0.03 0.96 -0.40 0.37 0.23 0.00 0.00 176.91 178.10 3hx2 h GLN 70 N 0.98 -0.55 0.00 0.39 5.75 -0.71 -1.71 115.11 119.25 3hx2 h GLN 70 Ca 0.20 0.04 -0.01 0.00 -0.15 0.00 0.00 58.65 58.73 3hx2 h GLN 70 Cb 0.40 0.13 -0.00 0.00 1.07 0.00 0.00 27.48 29.07 3hx2 h GLN 70 CO 0.01 -0.37 -0.05 -0.91 -2.65 0.00 0.00 178.83 174.86 3hx2 h ASN 71 N -0.57 0.00 -0.41 -0.69 4.21 -1.45 -1.36 115.58 115.31 3hx2 h ASN 71 Ca 0.05 0.00 -0.12 0.00 1.21 0.00 0.00 56.30 57.44 3hx2 h ASN 71 Cb 0.64 0.00 -0.01 0.00 -1.12 0.00 0.00 38.32 37.83 3hx2 h ASN 71 CO -0.30 0.05 -0.19 1.56 -1.29 0.00 0.00 177.43 177.25 3hx2 h GLN 72 N 0.00 0.85 0.00 0.81 4.20 -1.04 -3.10 115.11 116.83 3hx2 h GLN 72 Ca -0.00 -0.37 -0.10 0.00 0.06 0.00 0.00 58.65 58.24 3hx2 h GLN 72 Cb 0.10 -0.03 -0.01 0.00 0.30 0.00 0.00 27.48 27.84 3hx2 h GLN 72 CO 0.01 1.01 -0.48 0.00 -0.67 0.00 0.00 178.83 178.70 3hx2 h ARG 73 N 0.67 0.00 0.00 1.46 2.47 -0.55 -3.47 114.38 114.96 3hx2 h ARG 73 Ca 0.09 0.00 0.00 0.00 -1.26 0.00 0.00 59.98 58.81 3hx2 h ARG 73 Cb 0.75 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 29.07 3hx2 h ARG 73 CO 0.06 0.48 0.00 0.41 0.56 0.00 0.00 179.97 181.48 3hx2 n GLY 74 N 0.54 0.77 3.49 0.04 0.00 -0.60 -3.81 105.19 105.62 3hx2 n GLY 74 Ca 0.00 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.73 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 -1.10 1.52 -0.08 -0.02 0.00 -0.70 -4.67 107.32 102.27 3hx2 s GLY 75 Ca 0.00 -0.42 0.03 0.00 0.00 0.00 0.00 44.72 44.33 3hx2 s GLY 75 CO 0.00 0.37 -0.16 0.50 0.00 0.00 0.00 173.10 173.81 3hx2 s ARG 76 N -4.77 2.15 0.19 2.90 1.81 -1.26 -4.34 118.95 115.62 3hx2 s ARG 76 Ca 0.68 -0.56 -0.30 0.00 -1.72 0.00 0.00 55.73 53.83 3hx2 s ARG 76 Cb -0.20 -1.73 -0.08 0.00 -0.45 0.00 0.00 34.95 32.49 3hx2 s ARG 76 CO 0.61 0.05 1.24 0.00 -0.68 0.00 0.00 175.30 176.53 3hx2 s ALA 77 N 0.63 3.47 -0.04 2.13 0.00 -1.26 -4.96 121.76 121.74 3hx2 s ALA 77 Ca -0.14 1.01 0.01 0.00 0.00 0.00 0.00 51.96 52.84 3hx2 s ALA 77 Cb -0.16 -3.44 0.02 0.00 0.00 0.00 0.00 23.12 19.53 3hx2 s ALA 77 CO 0.04 -0.44 -0.06 -0.51 0.00 0.00 0.00 175.76 174.79 3hx2 s LEU 78 N -0.13 1.50 0.11 0.00 1.43 -1.26 -5.15 118.68 115.17 3hx2 s LEU 78 Ca 0.55 -0.14 0.08 0.00 -1.03 0.00 0.00 54.13 53.59 3hx2 s LEU 78 Cb -0.34 -0.45 -0.04 0.00 0.03 0.00 0.00 46.19 45.39 3hx2 s LEU 78 CO 0.37 -0.02 -0.15 -0.36 0.23 0.00 0.00 176.35 176.42 3hx2 s PHE 79 N 0.65 2.61 0.10 0.29 0.08 -1.26 -4.88 117.98 115.57 3hx2 s PHE 79 Ca -0.09 -0.22 0.03 0.00 0.12 0.00 0.00 56.93 56.77 3hx2 s PHE 79 Cb -0.12 -1.38 -0.04 0.00 -0.57 0.00 0.00 43.02 40.90 3hx2 s PHE 79 CO 0.00 0.40 -0.08 -1.14 -0.10 0.00 0.00 175.22 174.30 3hx2 s GLN 80 N -2.13 0.86 0.80 0.44 2.00 -1.26 -5.13 119.66 115.24 3hx2 s GLN 80 Ca 0.19 -1.28 -0.17 0.00 -2.00 0.00 0.00 55.36 52.10 3hx2 s GLN 80 Cb -0.11 -0.38 -0.15 0.00 0.80 0.00 0.00 33.01 33.17 3hx2 s GLN 80 CO 0.11 0.03 -0.53 -0.25 -0.50 0.00 0.00 175.29 174.15 3hx2 n ASP 81 N 0.18 -5.08 -4.24 6.67 10.43 -1.26 -4.93 116.55 118.31 3hx2 n ASP 81 Ca -0.13 0.37 -0.36 0.00 2.57 0.00 0.00 54.79 57.24 3hx2 n ASP 81 Cb 0.60 -0.80 -0.13 0.00 1.84 0.00 0.00 41.12 42.62 3hx2 n ASP 81 CO 0.00 0.00 0.00 -0.63 -1.07 0.00 0.00 177.20 175.50 3hx2 s ILE 82 N -2.00 3.38 0.19 0.53 1.01 -1.26 -5.06 121.20 117.99 3hx2 s ILE 82 Ca 0.47 -1.07 -0.31 0.00 0.00 0.00 0.00 60.65 59.74 3hx2 s ILE 82 Cb -0.31 -2.83 -0.10 0.00 0.01 0.00 0.00 42.46 39.23 3hx2 s ILE 82 CO 0.76 -0.00 1.57 -0.75 0.00 0.00 0.00 174.94 176.52 3hx2 s LYS 83 N 1.36 4.21 1.15 2.79 2.20 -1.26 -4.98 119.74 125.20 3hx2 s LYS 83 Ca -0.01 2.40 -0.14 0.00 -0.36 0.00 0.00 55.97 57.86 3hx2 s LYS 83 Cb -0.18 -3.13 0.24 0.00 -1.51 0.00 0.00 37.83 33.25 3hx2 s LYS 83 CO -0.00 -0.60 0.80 0.36 -0.36 0.00 0.00 175.35 175.55 3hx2 n LYS 84 N 3.59 -2.13 -1.71 4.03 2.85 -1.26 -4.88 118.16 118.65 3hx2 n LYS 84 Ca 0.13 -0.59 -0.32 0.00 -1.05 0.00 0.00 58.31 56.48 3hx2 n LYS 84 Cb 0.38 -2.08 0.04 0.00 -0.65 0.00 0.00 35.03 32.73 3hx2 n LYS 84 CO 0.00 0.00 0.00 -2.14 -0.05 0.00 0.00 177.40 175.21 3hx2 s PRO 85 N -4.20 2.98 0.27 -1.58 0.02 -1.26 -4.96 135.00 126.28 3hx2 s PRO 85 Ca 0.66 1.10 -0.00 0.00 0.02 0.00 0.00 61.00 62.77 3hx2 s PRO 85 Cb -0.23 -1.99 0.52 0.00 0.02 0.00 0.00 34.50 32.83 3hx2 s PRO 85 CO 0.65 -1.07 1.81 0.00 -0.33 0.00 0.00 177.00 178.06 3hx2 h ALA 86 N -0.31 1.39 -1.79 -1.55 0.00 -1.98 -3.44 119.26 111.59 3hx2 h ALA 86 Ca -0.45 0.04 -0.58 0.00 0.00 0.00 0.00 54.91 53.92 3hx2 h ALA 86 Cb 1.22 -0.14 -0.13 0.00 0.00 0.00 0.00 17.79 18.73 3hx2 h ALA 86 CO 0.56 0.11 -0.61 -1.21 0.00 0.00 0.00 179.25 178.10 3hx2 s GLU 87 N -5.97 1.86 -0.12 0.00 0.41 -1.26 -5.03 118.70 108.59 3hx2 s GLU 87 Ca -0.12 -2.04 0.08 0.00 -0.41 0.00 0.00 54.97 52.48 3hx2 s GLU 87 Cb 0.22 -1.40 -0.12 0.00 -1.78 0.00 0.00 34.13 31.04 3hx2 s GLU 87 CO 0.80 -0.08 -0.00 -0.25 -0.49 0.00 0.00 175.26 175.23 3hx2 n ASP 88 N -0.87 2.46 -4.27 -0.19 8.00 -1.26 -4.96 116.55 115.46 3hx2 n ASP 88 Ca -0.04 -0.02 -0.29 0.00 0.71 0.00 0.00 54.79 55.15 3hx2 n ASP 88 Cb 0.67 0.52 -0.16 0.00 -0.02 0.00 0.00 41.12 42.13 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 -2.27 1.85 -0.15 -1.24 2.02 -1.26 -4.96 118.70 112.69 3hx2 s GLU 89 Ca -0.09 -0.86 0.16 0.00 0.02 0.00 0.00 54.97 54.21 3hx2 s GLU 89 Cb 0.04 -1.81 0.43 0.00 0.10 0.00 0.00 34.13 32.89 3hx2 s GLU 89 CO 0.42 0.49 1.32 0.91 0.02 0.00 0.00 175.26 178.42 3hx2 n TRP 90 N 2.41 0.63 -1.97 1.61 7.02 -1.26 -5.08 117.44 120.80 3hx2 n TRP 90 Ca -0.16 -0.88 0.00 0.00 -1.02 0.00 0.00 57.50 55.45 3hx2 n TRP 90 Cb 0.52 -0.24 0.00 0.00 -2.42 0.00 0.00 31.31 29.17 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 -0.70 3.16 3.97 6.99 0.00 -1.26 -3.53 105.19 113.83 3hx2 n GLY 91 Ca 0.19 -0.25 -0.21 0.00 0.00 0.00 0.00 46.02 45.75 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 2.61 0.16 1.61 1.02 -1.26 -4.92 119.74 118.96 3hx2 s LYS 92 Ca 0.00 -0.75 -0.21 0.00 0.02 0.00 0.00 55.97 55.02 3hx2 s LYS 92 Cb 0.00 -2.50 0.06 0.00 -0.52 0.00 0.00 37.83 34.87 3hx2 s LYS 92 CO 0.00 -0.65 1.63 1.15 -0.92 0.00 0.00 175.35 176.56 3hx2 h THR 93 N 0.12 0.39 -0.37 2.17 2.02 -2.00 -1.97 112.91 113.27 3hx2 h THR 93 Ca -0.43 0.00 -0.01 0.00 0.77 0.00 0.00 66.41 66.74 3hx2 h THR 93 Cb 1.29 0.39 -0.02 0.00 -1.74 0.00 0.00 68.15 68.07 3hx2 h THR 93 CO 0.53 0.00 0.17 -0.65 0.37 0.00 0.00 175.52 175.94 3hx2 h PRO 94 N -0.20 0.52 -0.15 6.66 0.11 -1.96 0.13 132.00 137.10 3hx2 h PRO 94 Ca 0.16 -0.06 -0.01 0.00 0.11 0.00 0.00 66.00 66.21 3hx2 h PRO 94 Cb 0.45 -0.10 -0.01 0.00 0.11 0.00 0.00 31.00 31.45 3hx2 h PRO 94 CO -0.43 0.41 0.07 -0.44 -0.21 0.00 0.00 178.00 177.40 3hx2 h ASP 95 N 0.52 0.20 0.17 -2.05 3.45 -1.69 -0.46 116.42 116.57 3hx2 h ASP 95 Ca 0.13 -0.12 -0.11 0.00 0.43 0.00 0.00 57.03 57.36 3hx2 h ASP 95 Cb 0.07 -0.05 -0.01 0.00 -0.56 0.00 0.00 39.33 38.77 3hx2 h ASP 95 CO -0.02 0.26 -0.41 0.00 -1.57 0.00 0.00 179.24 177.50 3hx2 h ALA 96 N 0.95 1.04 -0.31 3.45 0.00 -0.88 -2.40 119.26 121.11 3hx2 h ALA 96 Ca 0.05 -0.42 -0.09 0.00 0.00 0.00 0.00 54.91 54.45 3hx2 h ALA 96 Cb 0.12 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 17.80 3hx2 h ALA 96 CO -0.01 0.61 -0.16 1.98 0.00 0.00 0.00 179.25 181.67 3hx2 h MET 97 N 0.27 0.66 -0.44 0.00 -1.53 -0.51 -2.29 114.93 111.08 3hx2 h MET 97 Ca 0.02 -0.29 -0.04 0.00 -3.44 0.00 0.00 59.70 55.96 3hx2 h MET 97 Cb 0.84 -0.02 -0.02 0.00 -0.55 0.00 0.00 31.60 31.86 3hx2 h MET 97 CO 0.07 0.88 0.13 0.87 0.14 0.00 0.00 176.91 179.00 3hx2 h LYS 98 N 0.41 0.70 -0.62 0.39 1.57 -1.02 -0.50 116.57 117.51 3hx2 h LYS 98 Ca 0.07 -0.16 0.05 0.00 -1.87 0.00 0.00 60.65 58.74 3hx2 h LYS 98 Cb 0.69 -0.10 -0.04 0.00 0.08 0.00 0.00 32.23 32.87 3hx2 h LYS 98 CO 0.05 0.68 0.41 0.00 -0.57 0.00 0.00 179.45 180.02 3hx2 h ALA 99 N 0.98 1.73 -0.19 3.86 0.00 -1.40 0.83 119.26 125.07 3hx2 h ALA 99 Ca 0.14 -0.02 -0.21 0.00 0.00 0.00 0.00 54.91 54.81 3hx2 h ALA 99 Cb 0.28 -0.18 0.01 0.00 0.00 0.00 0.00 17.79 17.90 3hx2 h ALA 99 CO -0.00 0.18 -0.72 0.00 0.00 0.00 0.00 179.25 178.71 3hx2 h ALA 100 N 1.65 0.35 -0.61 0.00 0.00 -0.90 -1.80 119.26 117.95 3hx2 h ALA 100 Ca 0.26 -0.58 0.00 0.00 0.00 0.00 0.00 54.91 54.59 3hx2 h ALA 100 Cb 0.18 -0.03 -0.03 0.00 0.00 0.00 0.00 17.79 17.90 3hx2 h ALA 100 CO -0.07 0.68 0.39 1.98 0.00 0.00 0.00 179.25 182.23 3hx2 h MET 101 N 0.58 0.82 -0.35 0.00 -1.53 -0.12 -0.07 114.93 114.27 3hx2 h MET 101 Ca -0.03 -0.06 -0.01 0.00 -3.44 0.00 0.00 59.70 56.16 3hx2 h MET 101 Cb 1.34 -0.18 -0.02 0.00 -0.55 0.00 0.00 31.60 32.20 3hx2 h MET 101 CO 0.15 0.56 0.19 0.00 0.14 0.00 0.00 176.91 177.95 3hx2 h ALA 102 N 1.21 0.45 -0.58 0.39 0.00 -0.79 -1.07 119.26 118.87 3hx2 h ALA 102 Ca 0.22 -0.08 0.01 0.00 0.00 0.00 0.00 54.91 55.06 3hx2 h ALA 102 Cb -0.06 -0.14 -0.03 0.00 0.00 0.00 0.00 17.79 17.56 3hx2 h ALA 102 CO -0.05 -0.02 0.38 1.25 0.00 0.00 0.00 179.25 180.81 3hx2 h LEU 103 N 0.43 0.67 -0.01 0.00 5.85 -0.81 0.30 115.31 121.73 3hx2 h LEU 103 Ca 0.12 -0.02 -0.01 0.00 0.84 0.00 0.00 57.88 58.82 3hx2 h LEU 103 Cb 0.07 -0.17 -0.00 0.00 0.37 0.00 0.00 40.66 40.93 3hx2 h LEU 103 CO -0.02 0.49 -0.02 -0.33 -0.34 0.00 0.00 178.44 178.22 3hx2 h GLU 104 N 0.79 0.04 -0.87 1.25 4.39 -0.52 -2.23 114.58 117.42 3hx2 h GLU 104 Ca 0.21 -0.02 0.08 0.00 0.34 0.00 0.00 59.36 59.97 3hx2 h GLU 104 Cb -0.09 0.00 -0.06 0.00 -0.10 0.00 0.00 28.75 28.50 3hx2 h GLU 104 CO -0.05 0.55 0.57 0.87 -1.16 0.00 0.00 179.01 179.79 3hx2 h LYS 105 N -0.47 0.88 -0.17 2.33 1.57 -0.88 0.32 116.57 120.14 3hx2 h LYS 105 Ca 0.00 -0.05 0.00 0.00 -1.87 0.00 0.00 60.65 58.73 3hx2 h LYS 105 Cb 0.54 -0.20 -0.01 0.00 0.08 0.00 0.00 32.23 32.65 3hx2 h LYS 105 CO 0.00 0.58 0.11 -0.22 -0.57 0.00 0.00 179.45 179.36 3hx2 h LYS 106 N 0.91 0.23 -0.33 3.15 3.64 -0.87 -1.36 116.57 121.94 3hx2 h LYS 106 Ca 0.39 -0.02 -0.12 0.00 -1.27 0.00 0.00 60.65 59.64 3hx2 h LYS 106 Cb 0.33 -0.05 -0.01 0.00 -0.41 0.00 0.00 32.23 32.09 3hx2 h LYS 106 CO -0.16 0.18 -0.28 -0.07 -2.27 0.00 0.00 179.45 176.85 3hx2 h LEU 107 N 0.22 0.69 -0.53 5.20 3.38 -0.50 -2.15 115.31 121.62 3hx2 h LEU 107 Ca 0.06 -0.26 0.00 0.00 0.09 0.00 0.00 57.88 57.78 3hx2 h LEU 107 Cb 0.00 -0.19 -0.03 0.00 0.09 0.00 0.00 40.66 40.53 3hx2 h LEU 107 CO -0.01 0.93 0.35 -1.13 0.09 0.00 0.00 178.44 178.67 3hx2 h ASN 108 N 0.58 0.61 0.86 -0.43 -1.24 -0.17 0.00 115.58 115.78 3hx2 h ASN 108 Ca 0.07 -0.02 -0.04 0.00 0.71 0.00 0.00 56.30 57.03 3hx2 h ASN 108 Cb 0.77 -0.15 0.00 0.00 0.73 0.00 0.00 38.32 39.67 3hx2 h ASN 108 CO 0.06 0.45 -0.49 -0.61 -1.29 0.00 0.00 177.43 175.55 3hx2 h GLN 109 N 0.72 -1.20 -1.22 6.67 5.75 -1.05 0.51 115.11 125.28 3hx2 h GLN 109 Ca 0.19 0.08 0.35 0.00 -0.15 0.00 0.00 58.65 59.13 3hx2 h GLN 109 Cb -0.08 0.27 -0.07 0.00 1.07 0.00 0.00 27.48 28.68 3hx2 h GLN 109 CO -0.04 -0.80 0.86 0.00 -2.65 0.00 0.00 178.83 176.19 3hx2 h ALA 110 N -1.19 2.97 0.30 3.38 0.00 -1.14 0.34 119.26 123.92 3hx2 h ALA 110 Ca -0.12 -0.01 -0.01 0.00 0.00 0.00 0.00 54.91 54.77 3hx2 h ALA 110 Cb 0.98 0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.86 3hx2 h ALA 110 CO 0.14 -1.35 -0.14 -0.07 0.00 0.00 0.00 179.25 177.83 3hx2 h LEU 111 N 0.09 -0.34 -1.12 0.00 3.38 0.35 -1.94 115.31 115.73 3hx2 h LEU 111 Ca 0.61 -0.20 0.09 0.00 0.09 0.00 0.00 57.88 58.48 3hx2 h LEU 111 Cb 2.24 0.09 -0.07 0.00 0.09 0.00 0.00 40.66 43.00 3hx2 h LEU 111 CO -0.10 0.09 0.61 -0.07 0.09 0.00 0.00 178.44 179.06 3hx2 h LEU 112 N -0.84 0.89 0.02 1.67 3.38 0.17 0.14 115.31 120.74 3hx2 h LEU 112 Ca -0.04 0.02 -0.00 0.00 0.09 0.00 0.00 57.88 57.95 3hx2 h LEU 112 Cb 0.52 -0.16 0.00 0.00 0.09 0.00 0.00 40.66 41.10 3hx2 h LEU 112 CO 0.07 0.53 -0.01 0.44 0.09 0.00 0.00 178.44 179.55 3hx2 h ASP 113 N 0.99 -0.03 -0.09 -0.43 3.45 -0.80 0.90 116.42 120.41 3hx2 h ASP 113 Ca 0.43 -0.04 -0.00 0.00 0.43 0.00 0.00 57.03 57.85 3hx2 h ASP 113 Cb 0.35 0.01 -0.01 0.00 -0.56 0.00 0.00 39.33 39.12 3hx2 h ASP 113 CO -0.19 0.02 0.05 0.25 -1.57 0.00 0.00 179.24 177.80 3hx2 h LEU 114 N -0.07 0.12 -0.14 1.55 5.85 -0.40 0.20 115.31 122.41 3hx2 h LEU 114 Ca -0.00 -0.00 -0.14 0.00 0.84 0.00 0.00 57.88 58.57 3hx2 h LEU 114 Cb 0.06 -0.03 0.00 0.00 0.37 0.00 0.00 40.66 41.07 3hx2 h LEU 114 CO 0.01 0.10 -0.47 -0.74 -0.34 0.00 0.00 178.44 177.00 3hx2 h HIS 115 N 0.14 0.75 0.41 1.25 2.76 0.08 -2.12 115.15 118.42 3hx2 h HIS 115 Ca 0.04 -0.30 -0.02 0.00 -2.20 0.00 0.00 60.37 57.88 3hx2 h HIS 115 Cb 0.01 -0.13 0.00 0.00 1.55 0.00 0.00 27.41 28.84 3hx2 h HIS 115 CO 0.00 1.07 -0.22 0.00 -1.30 0.00 0.00 177.93 177.48 3hx2 h ALA 116 N 0.53 -0.59 -0.97 5.26 0.00 0.16 -0.39 119.26 123.27 3hx2 h ALA 116 Ca -0.02 -0.12 0.20 0.00 0.00 0.00 0.00 54.91 54.97 3hx2 h ALA 116 Cb 1.09 0.25 -0.09 0.00 0.00 0.00 0.00 17.79 19.05 3hx2 h ALA 116 CO 0.10 -0.83 0.61 1.25 0.00 0.00 0.00 179.25 180.38 3hx2 h LEU 117 N -0.59 0.60 -0.75 0.00 5.85 -0.70 0.21 115.31 119.93 3hx2 h LEU 117 Ca -0.05 0.07 -0.08 0.00 0.84 0.00 0.00 57.88 58.66 3hx2 h LEU 117 Cb 0.47 -0.04 -0.03 0.00 0.37 0.00 0.00 40.66 41.43 3hx2 h LEU 117 CO 0.07 0.22 0.10 1.23 -0.34 0.00 0.00 178.44 179.72 3hx2 h GLY 118 N 0.59 1.13 1.13 3.75 0.00 -0.53 -1.12 103.07 108.03 3hx2 h GLY 118 Ca 0.53 -0.74 -0.16 0.00 0.00 0.00 0.00 47.33 46.96 3hx2 h GLY 118 CO -0.28 0.69 -0.36 1.76 0.00 0.00 0.00 176.54 178.35 3hx2 h SER 119 N 0.98 1.01 -0.03 0.19 0.02 0.90 -0.46 113.55 116.17 3hx2 h SER 119 Ca 0.20 -0.45 -0.01 0.00 -0.84 0.00 0.00 61.79 60.68 3hx2 h SER 119 Cb 0.43 -0.28 -0.01 0.00 0.14 0.00 0.00 62.40 62.68 3hx2 h SER 119 CO 0.01 1.25 -0.01 0.00 -1.14 0.00 0.00 176.83 176.95 3hx2 h ALA 120 N 0.80 1.84 -0.58 3.77 0.00 -0.46 -0.29 119.26 124.33 3hx2 h ALA 120 Ca 0.07 -0.06 0.00 0.00 0.00 0.00 0.00 54.91 54.92 3hx2 h ALA 120 Cb 0.95 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.70 3hx2 h ALA 120 CO 0.09 0.13 0.00 0.54 0.00 0.00 0.00 179.25 180.01 3hx2 n ARG 121 N -4.46 3.12 -3.99 0.00 5.12 -0.46 -4.99 116.66 111.00 3hx2 n ARG 121 Ca -0.02 -2.61 -0.43 0.00 -1.93 0.00 0.00 57.85 52.87 3hx2 n ARG 121 Cb 0.14 -1.62 0.02 0.00 -1.16 0.00 0.00 32.46 29.84 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 1.05 -3.43 -3.78 0.55 -2.24 -0.12 -4.94 114.28 101.37 3hx2 n THR 122 Ca 0.22 -0.69 -0.34 0.00 -2.27 0.00 0.00 64.05 60.97 3hx2 n THR 122 Cb 0.68 -2.75 -0.11 0.00 -2.10 0.00 0.00 70.33 66.06 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 -3.54 5.02 0.35 3.42 -1.08 -0.25 -4.96 116.67 115.64 3hx2 s ASP 123 Ca 0.48 -3.03 0.05 0.00 -0.52 0.00 0.00 52.55 49.53 3hx2 s ASP 123 Cb -0.24 -1.79 0.66 0.00 -1.46 0.00 0.00 42.92 40.09 3hx2 s ASP 123 CO 0.95 -0.30 1.92 1.55 0.52 0.00 0.00 175.17 179.81 3hx2 h PRO 124 N 6.71 0.53 0.40 4.34 0.13 -1.92 -2.89 132.00 139.30 3hx2 h PRO 124 Ca -0.01 -0.09 -0.01 0.00 -0.87 0.00 0.00 66.00 65.02 3hx2 h PRO 124 Cb 0.91 -0.09 -0.01 0.00 0.13 0.00 0.00 31.00 31.95 3hx2 h PRO 124 CO 0.72 0.51 -0.27 1.25 -0.23 0.00 0.00 178.00 179.97 3hx2 h HIS 125 N 0.52 -0.72 -0.57 1.56 2.76 -1.97 -0.01 115.15 116.73 3hx2 h HIS 125 Ca 0.12 -0.00 0.06 0.00 -2.20 0.00 0.00 60.37 58.35 3hx2 h HIS 125 Cb 0.24 0.26 -0.03 0.00 1.55 0.00 0.00 27.41 29.43 3hx2 h HIS 125 CO 0.01 -0.41 0.38 1.25 -1.30 0.00 0.00 177.93 177.85 3hx2 h LEU 126 N -0.66 0.45 -0.44 0.26 5.85 -1.96 0.48 115.31 119.30 3hx2 h LEU 126 Ca -0.04 0.00 -0.10 0.00 0.84 0.00 0.00 57.88 58.58 3hx2 h LEU 126 Cb 0.55 -0.10 -0.01 0.00 0.37 0.00 0.00 40.66 41.48 3hx2 h LEU 126 CO 0.03 0.29 -0.12 0.00 -0.34 0.00 0.00 178.44 178.30 3hx2 h ASP 128 N 0.68 0.07 -0.88 0.00 3.58 -0.15 -1.38 116.42 118.32 3hx2 h ASP 128 Ca 0.11 -0.34 0.21 0.00 0.42 0.00 0.00 57.03 57.42 3hx2 h ASP 128 Cb 0.66 -0.02 -0.12 0.00 1.72 0.00 0.00 39.33 41.57 3hx2 h ASP 128 CO 0.05 0.40 0.38 0.15 -2.88 0.00 0.00 179.24 177.34 3hx2 h PHE 129 N -0.26 0.64 -0.07 0.28 3.04 -0.89 0.16 116.94 119.84 3hx2 h PHE 129 Ca 0.01 0.04 -0.24 0.00 3.98 0.00 0.00 57.97 61.76 3hx2 h PHE 129 Cb 0.36 -0.14 0.01 0.00 2.56 0.00 0.00 35.95 38.75 3hx2 h PHE 129 CO 0.04 -0.03 -0.92 -0.07 -2.02 0.00 0.00 178.31 175.31 3hx2 h LEU 130 N 0.41 0.90 -0.36 0.59 3.38 -1.20 -1.46 115.31 117.57 3hx2 h LEU 130 Ca 0.54 -0.66 0.00 0.00 0.09 0.00 0.00 57.88 57.86 3hx2 h LEU 130 Cb 1.01 -0.27 -0.02 0.00 0.09 0.00 0.00 40.66 41.47 3hx2 h LEU 130 CO -0.51 1.46 0.23 -0.33 0.09 0.00 0.00 178.44 179.38 3hx2 h GLU 131 N 0.45 0.48 0.25 1.13 5.08 -0.04 0.01 114.58 121.94 3hx2 h GLU 131 Ca -0.09 -0.03 -0.01 0.00 -1.00 0.00 0.00 59.36 58.22 3hx2 h GLU 131 Cb 1.56 -0.11 0.00 0.00 0.50 0.00 0.00 28.75 30.71 3hx2 h GLU 131 CO 0.18 0.34 -0.12 1.15 -1.00 0.00 0.00 179.01 179.56 3hx2 h THR 132 N 0.49 0.76 0.00 1.13 2.02 -0.79 -3.35 112.91 113.17 3hx2 h THR 132 Ca 0.13 -0.77 -0.05 0.00 0.77 0.00 0.00 66.41 66.50 3hx2 h THR 132 Cb -0.04 1.16 -0.01 0.00 -1.74 0.00 0.00 68.15 67.52 3hx2 h THR 132 CO -0.03 0.15 -1.34 1.41 0.37 0.00 0.00 175.52 176.08 3hx2 n HIS 133 N -5.06 0.75 0.00 3.16 8.25 -0.55 -4.79 115.22 116.99 3hx2 n HIS 133 Ca -0.09 0.23 0.00 0.00 -0.26 0.00 0.00 57.72 57.60 3hx2 n HIS 133 Cb 0.26 -0.90 0.00 0.00 1.12 0.00 0.00 29.99 30.47 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 -2.64 0.00 0.20 4.41 3.72 -0.56 -4.73 117.46 117.85 3hx2 n PHE 134 Ca -0.04 0.00 -0.14 0.00 -0.05 0.00 0.00 57.45 57.22 3hx2 n PHE 134 Cb 0.64 0.00 -0.08 0.00 -0.94 0.00 0.00 39.48 39.10 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 -0.41 -1.17 4.37 3.38 -1.17 -2.15 115.31 118.16 3hx2 h LEU 135 Ca 0.00 -0.10 -0.09 0.00 0.09 0.00 0.00 57.88 57.79 3hx2 h LEU 135 Cb 0.69 0.11 -0.01 0.00 0.09 0.00 0.00 40.66 41.54 3hx2 h LEU 135 CO 0.00 -0.14 -0.41 -0.78 0.09 0.00 0.00 178.44 177.20 3hx2 h ASP 136 N -0.69 0.00 0.25 -0.43 -0.00 -1.84 -2.65 116.42 111.07 3hx2 h ASP 136 Ca -0.05 0.00 -0.01 0.00 -0.00 0.00 0.00 57.03 56.97 3hx2 h ASP 136 Cb 0.49 0.00 0.00 0.00 -0.00 0.00 0.00 39.33 39.82 3hx2 h ASP 136 CO 0.08 0.41 -0.12 -0.33 -0.00 0.00 0.00 179.24 179.28 3hx2 h GLU 137 N 0.00 -0.33 -0.90 0.28 4.39 -1.83 -2.08 114.58 114.10 3hx2 h GLU 137 Ca -0.00 0.02 0.02 0.00 0.34 0.00 0.00 59.36 59.74 3hx2 h GLU 137 Cb 0.74 0.07 -0.05 0.00 -0.10 0.00 0.00 28.75 29.41 3hx2 h GLU 137 CO 0.05 -0.13 0.59 0.93 -1.16 0.00 0.00 179.01 179.29 3hx2 h GLU 138 N -0.46 1.13 0.31 2.33 4.39 -1.29 0.55 114.58 121.54 3hx2 h GLU 138 Ca -0.03 -0.07 -0.01 0.00 0.34 0.00 0.00 59.36 59.58 3hx2 h GLU 138 Cb 0.35 -0.26 -0.00 0.00 -0.10 0.00 0.00 28.75 28.74 3hx2 h GLU 138 CO 0.06 0.75 -0.17 0.28 -1.16 0.00 0.00 179.01 178.76 3hx2 h VAL 139 N 1.17 0.64 -0.22 3.13 2.07 -1.34 -1.12 116.25 120.58 3hx2 h VAL 139 Ca 0.35 0.00 -0.00 0.00 0.82 0.00 0.00 66.70 67.87 3hx2 h VAL 139 Cb -0.05 0.64 -0.01 0.00 -1.52 0.00 0.00 31.29 30.35 3hx2 h VAL 139 CO -0.09 0.00 0.13 0.11 0.02 0.00 0.00 177.57 177.74 3hx2 h LYS 140 N -0.46 0.29 -0.99 1.57 1.57 -0.92 -1.09 116.57 116.54 3hx2 h LYS 140 Ca -0.04 -0.02 0.06 0.00 -1.87 0.00 0.00 60.65 58.78 3hx2 h LYS 140 Cb 0.37 -0.06 -0.07 0.00 0.08 0.00 0.00 32.23 32.55 3hx2 h LYS 140 CO 0.05 0.23 0.64 1.25 -0.57 0.00 0.00 179.45 181.05 3hx2 h LEU 141 N 0.27 1.03 0.10 2.94 5.85 -0.84 -1.02 115.31 123.64 3hx2 h LEU 141 Ca 0.08 0.01 -0.00 0.00 0.84 0.00 0.00 57.88 58.80 3hx2 h LEU 141 Cb 0.01 -0.21 0.00 0.00 0.37 0.00 0.00 40.66 40.83 3hx2 h LEU 141 CO -0.01 0.66 -0.05 0.40 -0.34 0.00 0.00 178.44 179.10 3hx2 h ILE 142 N 1.17 1.10 -1.00 4.05 2.04 -0.76 -1.79 117.51 122.32 3hx2 h ILE 142 Ca 0.43 -0.75 0.19 0.00 1.00 0.00 0.00 64.86 65.72 3hx2 h ILE 142 Cb 0.16 1.58 -0.11 0.00 -0.74 0.00 0.00 36.82 37.71 3hx2 h ILE 142 CO -0.17 0.18 0.61 0.50 0.00 0.00 0.00 178.15 179.27 3hx2 h LYS 143 N -0.48 0.74 -0.05 2.37 1.63 -0.86 0.12 116.57 120.04 3hx2 h LYS 143 Ca -0.01 -0.04 -0.00 0.00 -0.85 0.00 0.00 60.65 59.74 3hx2 h LYS 143 Cb 0.40 -0.17 -0.00 0.00 -0.60 0.00 0.00 32.23 31.86 3hx2 h LYS 143 CO 0.02 0.49 0.02 -0.22 -3.45 0.00 0.00 179.45 176.31 3hx2 h LYS 144 N 0.76 0.07 -0.04 1.90 3.64 -1.04 -0.59 116.57 121.27 3hx2 h LYS 144 Ca 0.58 -0.01 -0.04 0.00 -1.27 0.00 0.00 60.65 59.90 3hx2 h LYS 144 Cb 0.89 -0.01 -0.01 0.00 -0.41 0.00 0.00 32.23 32.69 3hx2 h LYS 144 CO -0.38 0.21 -0.17 0.52 -2.27 0.00 0.00 179.45 177.35 3hx2 h MET 145 N -0.08 0.07 -0.15 1.90 2.86 -0.19 -0.73 114.93 118.61 3hx2 h MET 145 Ca 0.02 -0.01 -0.04 0.00 -2.06 0.00 0.00 59.70 57.61 3hx2 h MET 145 Cb 0.17 -0.01 -0.00 0.00 0.06 0.00 0.00 31.60 31.81 3hx2 h MET 145 CO -0.00 0.25 -0.05 0.78 1.06 0.00 0.00 176.91 178.94 3hx2 h GLY 146 N 0.63 0.32 0.67 8.32 0.00 -0.35 -1.42 103.07 111.23 3hx2 h GLY 146 Ca 0.01 -0.28 0.06 0.00 0.00 0.00 0.00 47.33 47.13 3hx2 h GLY 146 CO 0.02 0.25 0.35 -0.55 0.00 0.00 0.00 176.54 176.62 3hx2 h ASP 147 N -0.01 0.52 -0.15 0.19 3.32 -0.39 -0.54 116.42 119.34 3hx2 h ASP 147 Ca 0.04 0.03 0.01 0.00 0.02 0.00 0.00 57.03 57.13 3hx2 h ASP 147 Cb 0.49 -0.07 -0.02 0.00 0.22 0.00 0.00 39.33 39.96 3hx2 h ASP 147 CO 0.02 0.33 0.05 0.45 -1.72 0.00 0.00 179.24 178.38 3hx2 h HIS 148 N 0.65 0.10 -0.70 4.55 3.86 -0.98 -1.93 115.15 120.69 3hx2 h HIS 148 Ca 0.29 0.01 0.04 0.00 -1.16 0.00 0.00 60.37 59.55 3hx2 h HIS 148 Cb 0.20 -0.02 -0.05 0.00 1.06 0.00 0.00 27.41 28.60 3hx2 h HIS 148 CO -0.08 0.05 0.43 -0.07 0.86 0.00 0.00 177.93 179.12 3hx2 h LEU 149 N 0.13 0.69 -0.66 2.43 3.38 -0.49 0.43 115.31 121.22 3hx2 h LEU 149 Ca 0.07 0.01 -0.02 0.00 0.09 0.00 0.00 57.88 58.03 3hx2 h LEU 149 Cb 0.04 -0.14 -0.03 0.00 0.09 0.00 0.00 40.66 40.62 3hx2 h LEU 149 CO -0.07 0.46 0.34 0.74 0.09 0.00 0.00 178.44 180.01 3hx2 h THR 150 N 0.82 1.22 -0.23 0.22 2.02 -0.91 -1.97 112.91 114.09 3hx2 h THR 150 Ca 0.29 -0.57 -0.19 0.00 0.77 0.00 0.00 66.41 66.72 3hx2 h THR 150 Cb 0.08 0.38 0.00 0.00 -1.74 0.00 0.00 68.15 66.87 3hx2 h THR 150 CO -0.13 0.24 -0.59 0.78 0.37 0.00 0.00 175.52 176.19 3hx2 h ASN 151 N 0.91 0.91 -0.14 4.18 2.35 -0.63 -2.56 115.58 120.59 3hx2 h ASN 151 Ca 0.23 -0.57 0.02 0.00 -0.55 0.00 0.00 56.30 55.43 3hx2 h ASN 151 Cb 0.08 -0.26 -0.02 0.00 0.05 0.00 0.00 38.32 38.17 3hx2 h ASN 151 CO -0.03 1.31 0.04 -0.07 -1.65 0.00 0.00 177.43 177.03 3hx2 h LEU 152 N 0.54 0.03 -1.47 1.61 3.38 -0.01 -2.27 115.31 117.11 3hx2 h LEU 152 Ca -0.01 0.02 -0.02 0.00 0.09 0.00 0.00 57.88 57.95 3hx2 h LEU 152 Cb 1.20 0.02 -0.02 0.00 0.09 0.00 0.00 40.66 41.96 3hx2 h LEU 152 CO 0.13 0.04 0.07 -0.74 0.09 0.00 0.00 178.44 178.03 3hx2 h HIS 153 N 0.10 0.42 0.00 1.13 2.76 -1.40 -1.83 115.15 116.32 3hx2 h HIS 153 Ca 0.06 -0.02 -0.05 0.00 -2.20 0.00 0.00 60.37 58.16 3hx2 h HIS 153 Cb 0.05 -0.13 -0.01 0.00 1.55 0.00 0.00 27.41 28.87 3hx2 h HIS 153 CO -0.12 0.37 -0.24 -0.09 -1.30 0.00 0.00 177.93 176.55 3hx2 h ARG 154 N 0.42 0.00 -2.12 5.26 2.43 -0.99 -3.29 114.38 116.10 3hx2 h ARG 154 Ca 0.10 0.00 -0.04 0.00 -0.81 0.00 0.00 59.98 59.23 3hx2 h ARG 154 Cb 0.16 0.00 -0.01 0.00 -0.42 0.00 0.00 29.97 29.70 3hx2 h ARG 154 CO -0.00 0.24 -0.02 1.28 -1.51 0.00 0.00 179.97 179.96 3hx2 n LEU 155 N -3.67 3.34 0.02 3.80 4.77 -0.69 -3.83 117.00 120.73 3hx2 n LEU 155 Ca -0.01 -1.72 -0.00 0.00 -0.03 0.00 0.00 56.01 54.25 3hx2 n LEU 155 Cb 0.36 -0.77 -0.00 0.00 -2.33 0.00 0.00 43.42 40.69 3hx2 n LEU 155 CO 0.34 0.71 -0.01 0.61 -1.33 0.00 0.00 177.39 177.71 3hx2 n GLY 156 N 2.00 0.02 0.00 -0.72 0.00 -1.24 -4.93 105.19 100.31 3hx2 n GLY 156 Ca 0.08 -0.01 0.00 0.00 0.00 0.00 0.00 46.02 46.10 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 3.43 0.49 0.32 -0.02 0.00 -1.25 -4.86 105.19 103.31 3hx2 n GLY 157 Ca -0.00 0.00 0.19 0.00 0.00 0.00 0.00 46.02 46.20 3hx2 n GLY 157 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 3hx2 h PRO 158 N 0.00 0.30 -0.63 1.61 0.11 -2.00 -2.85 132.00 128.54 3hx2 h PRO 158 Ca 0.00 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 66.09 3hx2 h PRO 158 Cb 0.00 -0.07 0.00 0.00 0.11 0.00 0.00 31.00 31.04 3hx2 h PRO 158 CO 0.00 0.20 0.00 0.39 -0.21 0.00 0.00 178.00 178.38 3hx2 n GLU 159 N -5.10 2.96 0.00 1.05 1.02 -1.26 -5.18 120.64 114.12 3hx2 n GLU 159 Ca 0.27 -2.31 0.04 0.00 -0.02 0.00 0.00 57.16 55.13 3hx2 n GLU 159 Cb 0.83 -1.68 0.23 0.00 -0.02 0.00 0.00 31.44 30.81 3hx2 n GLU 159 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31