#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3hx5 s SER 2 N 0.00 5.77 0.56 6.12 0.15 -1.26 -5.09 113.70 119.95 3hx5 s SER 2 Ca 0.00 0.12 -0.18 0.00 0.70 0.00 0.00 55.95 56.59 3hx5 s SER 2 Cb 0.00 -1.34 -0.05 0.00 -1.71 0.00 0.00 66.02 62.92 3hx5 s SER 2 CO 0.00 -0.72 1.07 -0.55 1.20 0.00 0.00 173.24 174.24 3hx5 s SER 3 N -4.25 5.85 0.37 5.45 0.15 -1.26 -4.96 113.70 115.06 3hx5 s SER 3 Ca 0.49 1.95 0.13 0.00 0.70 0.00 0.00 55.95 59.22 3hx5 s SER 3 Cb -0.10 -2.55 0.73 0.00 -1.71 0.00 0.00 66.02 62.39 3hx5 s SER 3 CO 0.36 -1.12 1.83 0.06 1.20 0.00 0.00 173.24 175.58 3hx5 h GLN 4 N 0.88 0.00 0.00 5.44 3.07 -1.98 -3.04 115.11 119.47 3hx5 h GLN 4 Ca -0.48 0.00 0.00 0.00 0.09 0.00 0.00 58.65 58.26 3hx5 h GLN 4 Cb 1.23 0.00 0.00 0.00 0.08 0.00 0.00 27.48 28.79 3hx5 h GLN 4 CO 0.57 0.36 -0.91 0.44 0.09 0.00 0.00 178.83 179.39 3hx5 n ILE 5 N -4.10 0.15 -1.81 1.86 -5.35 -1.26 -4.95 119.36 103.90 3hx5 n ILE 5 Ca -0.02 -0.20 -0.42 0.00 -0.27 0.00 0.00 62.75 61.84 3hx5 n ILE 5 Cb 0.40 0.23 -0.03 0.00 -1.74 0.00 0.00 39.64 38.50 3hx5 n ILE 5 CO 0.00 0.00 0.00 -0.60 -1.76 0.00 0.00 176.55 174.19 3hx5 s ARG 6 N -3.15 4.16 -0.28 6.28 3.52 -1.15 -4.83 118.95 123.50 3hx5 s ARG 6 Ca 0.05 2.49 -0.11 0.00 -0.13 0.00 0.00 55.73 58.03 3hx5 s ARG 6 Cb 0.15 -3.31 0.11 0.00 -1.56 0.00 0.00 34.95 30.34 3hx5 s ARG 6 CO 0.78 -0.73 0.62 -1.14 -0.81 0.00 0.00 175.30 174.02 3hx5 s GLN 7 N 1.80 0.57 -1.40 5.12 0.74 -1.26 -4.93 119.66 120.31 3hx5 s GLN 7 Ca 0.75 1.32 -0.10 0.00 0.05 0.00 0.00 55.36 57.38 3hx5 s GLN 7 Cb -0.46 0.59 0.03 0.00 1.10 0.00 0.00 33.01 34.28 3hx5 s GLN 7 CO 0.33 -0.19 1.14 -1.71 -0.55 0.00 0.00 175.29 174.31 3hx5 n ASN 8 N 5.11 -6.03 -3.89 6.67 5.15 -1.26 -4.98 115.26 116.03 3hx5 n ASN 8 Ca -0.14 -0.60 -0.30 0.00 -0.60 0.00 0.00 54.58 52.94 3hx5 n ASN 8 Cb 0.52 -4.76 -0.15 0.00 -0.53 0.00 0.00 39.78 34.86 3hx5 n ASN 8 CO 0.00 0.00 0.00 -0.47 1.40 0.00 0.00 177.26 178.19 3hx5 s TYR 9 N -3.31 2.69 0.33 1.20 5.04 -1.26 -4.85 117.35 117.18 3hx5 s TYR 9 Ca 0.61 -2.26 -0.28 0.00 -2.44 0.00 0.00 57.07 52.69 3hx5 s TYR 9 Cb -0.28 -2.19 -0.10 0.00 0.35 0.00 0.00 41.96 39.75 3hx5 s TYR 9 CO 0.75 -0.89 1.23 -1.54 -1.34 0.00 0.00 175.55 173.77 3hx5 s SER 10 N 1.28 6.88 0.47 4.32 1.04 -1.26 -4.91 113.70 121.52 3hx5 s SER 10 Ca 0.07 2.52 0.13 0.00 0.48 0.00 0.00 55.95 59.15 3hx5 s SER 10 Cb -0.18 -2.64 1.09 0.00 0.10 0.00 0.00 66.02 64.39 3hx5 s SER 10 CO -0.14 -0.44 2.08 0.71 0.98 0.00 0.00 173.24 176.43 3hx5 h THR 11 N 2.95 1.01 0.32 2.02 1.35 -1.99 -0.11 112.91 118.46 3hx5 h THR 11 Ca -0.48 -0.09 -0.02 0.00 -0.55 0.00 0.00 66.41 65.27 3hx5 h THR 11 Cb 1.22 0.72 0.00 0.00 -1.73 0.00 0.00 68.15 68.37 3hx5 h THR 11 CO 0.65 0.05 -0.15 0.44 -0.25 0.00 0.00 175.52 176.26 3hx5 h ASP 12 N 0.27 -0.36 -0.74 5.36 3.45 -1.99 -0.98 116.42 121.43 3hx5 h ASP 12 Ca 0.11 -0.01 0.01 0.00 0.43 0.00 0.00 57.03 57.58 3hx5 h ASP 12 Cb 0.10 0.09 -0.04 0.00 -0.56 0.00 0.00 39.33 38.93 3hx5 h ASP 12 CO -0.02 -0.23 0.48 0.58 -1.57 0.00 0.00 179.24 178.48 3hx5 h VAL 13 N -0.45 1.16 -0.80 -1.35 2.07 -1.72 0.26 116.25 115.42 3hx5 h VAL 13 Ca -0.04 -0.33 0.09 0.00 0.82 0.00 0.00 66.70 67.24 3hx5 h VAL 13 Cb 0.35 0.11 -0.07 0.00 -1.52 0.00 0.00 31.29 30.15 3hx5 h VAL 13 CO 0.07 0.18 0.45 -0.08 0.02 0.00 0.00 177.57 178.21 3hx5 h GLU 14 N 0.97 0.73 -0.01 1.57 4.81 -0.82 -0.41 114.58 121.42 3hx5 h GLU 14 Ca 0.28 -0.04 -0.22 0.00 -0.13 0.00 0.00 59.36 59.24 3hx5 h GLU 14 Cb -0.08 -0.16 0.00 0.00 0.63 0.00 0.00 28.75 29.14 3hx5 h GLU 14 CO -0.07 0.48 -0.91 0.00 -0.73 0.00 0.00 179.01 177.77 3hx5 h ALA 15 N 1.45 0.38 -0.58 2.92 0.00 -0.18 -2.84 119.26 120.41 3hx5 h ALA 15 Ca 0.39 -0.69 -0.02 0.00 0.00 0.00 0.00 54.91 54.58 3hx5 h ALA 15 Cb 0.37 -0.02 -0.03 0.00 0.00 0.00 0.00 17.79 18.11 3hx5 h ALA 15 CO -0.25 0.80 0.27 0.00 0.00 0.00 0.00 179.25 180.07 3hx5 h ALA 16 N 0.74 1.39 -0.22 0.00 0.00 0.35 -1.72 119.26 119.80 3hx5 h ALA 16 Ca -0.07 -0.12 -0.07 0.00 0.00 0.00 0.00 54.91 54.65 3hx5 h ALA 16 Cb 1.54 -0.24 -0.01 0.00 0.00 0.00 0.00 17.79 19.09 3hx5 h ALA 16 CO 0.16 0.48 -0.12 0.28 0.00 0.00 0.00 179.25 180.05 3hx5 h VAL 17 N 0.82 1.31 -0.71 0.00 2.07 -1.07 -0.11 116.25 118.55 3hx5 h VAL 17 Ca 0.20 -1.20 0.01 0.00 0.82 0.00 0.00 66.70 66.53 3hx5 h VAL 17 Cb 0.10 1.62 -0.04 0.00 -1.52 0.00 0.00 31.29 31.45 3hx5 h VAL 17 CO -0.03 0.37 0.47 0.78 0.02 0.00 0.00 177.57 179.18 3hx5 h ASN 18 N 0.18 0.80 0.02 0.57 2.35 -1.27 0.67 115.58 118.90 3hx5 h ASN 18 Ca 0.05 -0.02 -0.00 0.00 -0.55 0.00 0.00 56.30 55.78 3hx5 h ASN 18 Cb 0.62 -0.20 0.00 0.00 0.05 0.00 0.00 38.32 38.79 3hx5 h ASN 18 CO 0.03 0.57 -0.01 -1.28 -1.65 0.00 0.00 177.43 175.10 3hx5 h SER 19 N 0.94 -0.02 0.06 5.81 0.87 -1.07 -2.25 113.55 117.89 3hx5 h SER 19 Ca 0.26 -0.13 -0.02 0.00 -1.23 0.00 0.00 61.79 60.67 3hx5 h SER 19 Cb -0.09 0.00 -0.00 0.00 -0.44 0.00 0.00 62.40 61.87 3hx5 h SER 19 CO -0.06 0.12 -0.07 0.25 -0.53 0.00 0.00 176.83 176.54 3hx5 h LEU 20 N -0.16 0.05 0.17 2.23 5.85 -0.28 -0.81 115.31 122.36 3hx5 h LEU 20 Ca -0.00 -0.00 -0.01 0.00 0.84 0.00 0.00 57.88 58.70 3hx5 h LEU 20 Cb 0.15 -0.01 0.00 0.00 0.37 0.00 0.00 40.66 41.17 3hx5 h LEU 20 CO 0.00 0.13 -0.08 0.58 -0.34 0.00 0.00 178.44 178.73 3hx5 h VAL 21 N 0.05 0.92 -0.98 1.05 2.07 -0.55 0.58 116.25 119.39 3hx5 h VAL 21 Ca 0.01 -0.43 0.05 0.00 0.82 0.00 0.00 66.70 67.15 3hx5 h VAL 21 Cb 0.17 1.18 -0.06 0.00 -1.52 0.00 0.00 31.29 31.06 3hx5 h VAL 21 CO 0.01 0.10 0.64 -1.13 0.02 0.00 0.00 177.57 177.21 3hx5 h ASN 22 N -0.44 1.04 -0.39 0.57 -0.73 -1.03 0.38 115.58 114.99 3hx5 h ASN 22 Ca -0.02 -0.00 -0.06 0.00 1.87 0.00 0.00 56.30 58.08 3hx5 h ASN 22 Cb 0.34 -0.23 -0.02 0.00 0.27 0.00 0.00 38.32 38.68 3hx5 h ASN 22 CO 0.04 0.69 0.03 0.25 -0.37 0.00 0.00 177.43 178.07 3hx5 h LEU 23 N 1.20 0.71 -0.05 0.34 5.85 -0.87 -1.23 115.31 121.26 3hx5 h LEU 23 Ca 0.41 -0.15 -0.26 0.00 0.84 0.00 0.00 57.88 58.72 3hx5 h LEU 23 Cb 0.09 -0.19 0.02 0.00 0.37 0.00 0.00 40.66 40.94 3hx5 h LEU 23 CO -0.14 0.76 -0.99 1.88 -0.34 0.00 0.00 178.44 179.61 3hx5 h TYR 24 N 0.71 1.02 -0.71 1.25 -1.99 0.64 -1.65 116.97 116.25 3hx5 h TYR 24 Ca 0.15 -0.54 0.07 0.00 2.00 0.00 0.00 58.73 60.41 3hx5 h TYR 24 Cb 0.39 -0.12 -0.06 0.00 2.00 0.00 0.00 36.73 38.94 3hx5 h TYR 24 CO 0.02 1.37 0.38 -0.07 -0.00 0.00 0.00 178.16 179.87 3hx5 h LEU 25 N 0.41 0.55 -0.21 3.88 3.38 -0.05 0.34 115.31 123.61 3hx5 h LEU 25 Ca -0.11 0.04 -0.02 0.00 0.09 0.00 0.00 57.88 57.88 3hx5 h LEU 25 Cb 1.63 -0.06 -0.01 0.00 0.09 0.00 0.00 40.66 42.31 3hx5 h LEU 25 CO 0.19 0.34 0.04 -0.61 0.09 0.00 0.00 178.44 178.49 3hx5 h GLN 26 N 0.68 0.34 -0.72 1.13 4.15 -1.21 -0.97 115.11 118.51 3hx5 h GLN 26 Ca 0.33 -0.09 0.09 0.00 0.77 0.00 0.00 58.65 59.75 3hx5 h GLN 26 Cb 0.27 -0.04 -0.07 0.00 0.21 0.00 0.00 27.48 27.85 3hx5 h GLN 26 CO -0.22 0.47 0.38 0.00 -1.93 0.00 0.00 178.83 177.53 3hx5 h ALA 27 N 0.85 0.99 -0.46 3.38 0.00 -0.44 0.44 119.26 124.02 3hx5 h ALA 27 Ca 0.06 0.04 -0.02 0.00 0.00 0.00 0.00 54.91 54.99 3hx5 h ALA 27 Cb 0.29 -0.08 -0.02 0.00 0.00 0.00 0.00 17.79 17.98 3hx5 h ALA 27 CO 0.00 0.00 0.20 1.03 0.00 0.00 0.00 179.25 180.49 3hx5 h SER 28 N 0.65 0.62 -0.33 0.00 0.87 -0.69 -2.23 113.55 112.45 3hx5 h SER 28 Ca 0.35 -0.15 -0.02 0.00 -1.23 0.00 0.00 61.79 60.73 3hx5 h SER 28 Cb 0.32 -0.16 -0.02 0.00 -0.44 0.00 0.00 62.40 62.10 3hx5 h SER 28 CO -0.24 0.60 0.14 0.22 -0.53 0.00 0.00 176.83 177.02 3hx5 h TYR 29 N 0.61 0.55 0.01 2.24 3.20 0.05 -1.48 116.97 122.15 3hx5 h TYR 29 Ca 0.16 -0.02 -0.00 0.00 3.14 0.00 0.00 58.73 62.01 3hx5 h TYR 29 Cb 0.16 -0.17 0.00 0.00 1.54 0.00 0.00 36.73 38.25 3hx5 h TYR 29 CO -0.00 0.45 -0.00 1.15 -1.64 0.00 0.00 178.16 178.11 3hx5 h THR 30 N 0.55 1.30 -0.03 1.81 2.02 -0.58 -2.73 112.91 115.25 3hx5 h THR 30 Ca 0.13 -0.92 0.01 0.00 0.77 0.00 0.00 66.41 66.40 3hx5 h THR 30 Cb 0.14 1.92 -0.00 0.00 -1.74 0.00 0.00 68.15 68.47 3hx5 h THR 30 CO -0.01 0.24 0.02 1.88 0.37 0.00 0.00 175.52 178.02 3hx5 h TYR 31 N -0.41 0.00 -0.05 3.16 0.05 -1.16 -0.14 116.97 118.42 3hx5 h TYR 31 Ca -0.00 0.00 -0.01 0.00 0.05 0.00 0.00 58.73 58.77 3hx5 h TYR 31 Cb 0.40 0.00 -0.00 0.00 1.01 0.00 0.00 36.73 38.14 3hx5 h TYR 31 CO 0.06 0.00 0.01 1.25 -1.05 0.00 0.00 178.16 178.43 3hx5 h LEU 32 N 0.00 0.08 -0.28 3.88 5.85 -1.13 0.02 115.31 123.74 3hx5 h LEU 32 Ca 0.01 -0.25 0.02 0.00 0.84 0.00 0.00 57.88 58.51 3hx5 h LEU 32 Cb 0.06 -0.02 -0.02 0.00 0.37 0.00 0.00 40.66 41.04 3hx5 h LEU 32 CO -0.00 0.31 0.13 -1.28 -0.34 0.00 0.00 178.44 177.26 3hx5 h SER 33 N -0.14 0.18 0.01 1.25 0.87 -0.93 -1.54 113.55 113.25 3hx5 h SER 33 Ca 0.02 0.02 0.03 0.00 -1.23 0.00 0.00 61.79 60.62 3hx5 h SER 33 Cb 0.26 -0.02 -0.05 0.00 -0.44 0.00 0.00 62.40 62.15 3hx5 h SER 33 CO 0.00 0.14 -0.30 -0.07 -0.53 0.00 0.00 176.83 176.07 3hx5 h LEU 34 N 0.27 -0.90 -0.38 2.23 3.38 -0.97 -1.26 115.31 117.68 3hx5 h LEU 34 Ca 0.12 0.12 0.08 0.00 0.09 0.00 0.00 57.88 58.28 3hx5 h LEU 34 Cb 0.05 0.36 -0.09 0.00 0.09 0.00 0.00 40.66 41.07 3hx5 h LEU 34 CO -0.09 -0.37 -0.24 1.23 0.09 0.00 0.00 178.44 179.06 3hx5 h GLY 35 N -0.46 -0.04 2.00 0.83 0.00 -0.47 -1.53 103.07 103.41 3hx5 h GLY 35 Ca 0.06 0.31 -0.10 0.00 0.00 0.00 0.00 47.33 47.60 3hx5 h GLY 35 CO -0.25 -0.20 -0.46 0.74 0.00 0.00 0.00 176.54 176.36 3hx5 h PHE 36 N -0.18 0.00 -0.83 5.60 -1.00 -1.16 -3.00 116.94 116.38 3hx5 h PHE 36 Ca 0.18 0.00 0.02 0.00 2.81 0.00 0.00 57.97 60.98 3hx5 h PHE 36 Cb 0.47 0.00 -0.04 0.00 3.61 0.00 0.00 35.95 39.99 3hx5 h PHE 36 CO -0.46 0.46 0.54 -0.92 -1.61 0.00 0.00 178.31 176.32 3hx5 h TYR 37 N 0.00 1.03 0.00 -0.55 3.20 -0.21 -0.52 116.97 119.92 3hx5 h TYR 37 Ca -0.00 0.03 0.00 0.00 3.14 0.00 0.00 58.73 61.89 3hx5 h TYR 37 Cb 0.82 -0.34 0.00 0.00 1.54 0.00 0.00 36.73 38.75 3hx5 h TYR 37 CO 0.00 0.62 0.00 1.19 -1.64 0.00 0.00 178.16 178.33 3hx5 n PHE 38 N -4.53 0.00 0.86 -3.82 3.72 -0.96 -2.61 117.46 110.13 3hx5 n PHE 38 Ca 0.09 0.00 0.10 0.00 -0.05 0.00 0.00 57.45 57.60 3hx5 n PHE 38 Cb 0.04 0.00 -0.09 0.00 -0.94 0.00 0.00 39.48 38.49 3hx5 n PHE 38 CO 0.00 0.00 0.00 -3.47 -0.05 0.00 0.00 176.76 173.24 3hx5 n ASP 39 N -0.98 0.83 -4.63 4.37 4.64 -0.21 -1.08 116.55 119.49 3hx5 n ASP 39 Ca 0.19 -0.79 -0.37 0.00 -1.38 0.00 0.00 54.79 52.44 3hx5 n ASP 39 Cb 0.09 1.05 0.06 0.00 -1.04 0.00 0.00 41.12 41.28 3hx5 n ASP 39 CO 0.00 0.00 0.00 0.54 -0.82 0.00 0.00 177.20 176.92 3hx5 n ARG 40 N -1.61 0.80 0.25 -0.67 1.74 -1.07 -4.63 116.66 111.47 3hx5 n ARG 40 Ca 0.03 0.32 0.09 0.00 -0.77 0.00 0.00 57.85 57.52 3hx5 n ARG 40 Cb 0.36 -2.22 0.66 0.00 -1.02 0.00 0.00 32.46 30.24 3hx5 n ARG 40 CO 0.00 0.00 0.00 0.38 -1.52 0.00 0.00 177.63 176.49 3hx5 h ASP 41 N 0.26 0.00 1.16 0.55 2.03 -1.93 0.29 116.42 118.77 3hx5 h ASP 41 Ca -0.49 0.00 0.00 0.00 -0.73 0.00 0.00 57.03 55.81 3hx5 h ASP 41 Cb 1.36 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 39.86 3hx5 h ASP 41 CO 0.50 0.09 -0.50 -2.24 -1.03 0.00 0.00 179.24 176.06 3hx5 h ASP 42 N 0.00 0.00 0.00 4.15 -0.00 -1.95 -3.37 116.42 115.26 3hx5 h ASP 42 Ca -0.00 -0.10 -0.46 0.00 -0.00 0.00 0.00 57.03 56.47 3hx5 h ASP 42 Cb 0.19 0.00 -0.07 0.00 -0.00 0.00 0.00 39.33 39.45 3hx5 h ASP 42 CO 0.01 0.05 -2.54 0.52 -0.00 0.00 0.00 179.24 177.29 3hx5 n VAL 43 N -2.38 1.51 -3.73 4.15 0.31 -0.94 -5.06 118.33 112.19 3hx5 n VAL 43 Ca 0.03 -0.40 -0.28 0.00 -0.01 0.00 0.00 64.34 63.68 3hx5 n VAL 43 Cb 0.47 -1.83 0.01 0.00 -0.91 0.00 0.00 33.84 31.58 3hx5 n VAL 43 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 3hx5 n ALA 44 N -4.14 -2.69 -3.34 3.52 0.00 0.97 -4.98 120.51 109.85 3hx5 n ALA 44 Ca -0.54 -0.12 -0.26 0.00 0.00 0.00 0.00 53.44 52.52 3hx5 n ALA 44 Cb 0.90 -1.08 -0.09 0.00 0.00 0.00 0.00 19.45 19.18 3hx5 n ALA 44 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 3hx5 n LEU 45 N -2.03 0.22 -0.27 0.00 4.77 -0.24 -5.00 117.00 114.45 3hx5 n LEU 45 Ca -0.27 -4.61 0.07 0.00 -0.03 0.00 0.00 56.01 51.18 3hx5 n LEU 45 Cb 0.69 0.44 0.21 0.00 -2.33 0.00 0.00 43.42 42.44 3hx5 n LEU 45 CO 0.62 1.95 0.98 -0.08 -1.33 0.00 0.00 177.39 179.53 3hx5 h GLU 46 N 4.86 0.33 -0.63 3.23 4.81 -1.94 0.77 114.58 126.01 3hx5 h GLU 46 Ca 0.18 -0.02 0.08 0.00 -0.13 0.00 0.00 59.36 59.46 3hx5 h GLU 46 Cb 0.87 -0.07 -0.06 0.00 0.63 0.00 0.00 28.75 30.12 3hx5 h GLU 46 CO 0.45 0.22 0.30 0.78 -0.73 0.00 0.00 179.01 180.03 3hx5 h GLY 47 N 0.34 0.91 1.04 1.92 0.00 -1.94 0.25 103.07 105.58 3hx5 h GLY 47 Ca 0.45 -0.19 -0.18 0.00 0.00 0.00 0.00 47.33 47.41 3hx5 h GLY 47 CO -0.49 0.07 -0.63 -2.08 0.00 0.00 0.00 176.54 173.40 3hx5 h VAL 48 N 0.54 1.32 -0.57 4.60 2.07 -1.65 -2.47 116.25 120.09 3hx5 h VAL 48 Ca 0.30 -1.88 0.05 0.00 0.82 0.00 0.00 66.70 65.99 3hx5 h VAL 48 Cb 0.28 2.05 -0.05 0.00 -1.52 0.00 0.00 31.29 32.05 3hx5 h VAL 48 CO -0.24 0.58 0.30 -1.28 0.02 0.00 0.00 177.57 176.96 3hx5 h SER 49 N 0.36 0.43 -0.12 0.57 0.87 -0.34 -2.04 113.55 113.28 3hx5 h SER 49 Ca -0.04 0.03 -0.00 0.00 -1.23 0.00 0.00 61.79 60.55 3hx5 h SER 49 Cb 1.27 -0.05 -0.01 0.00 -0.44 0.00 0.00 62.40 63.17 3hx5 h SER 49 CO 0.13 0.29 0.06 -0.74 -0.53 0.00 0.00 176.83 176.04 3hx5 h HIS 50 N 0.57 0.16 -0.81 2.24 6.17 -0.54 -1.97 115.15 120.97 3hx5 h HIS 50 Ca 0.26 -0.01 0.14 0.00 0.71 0.00 0.00 60.37 61.47 3hx5 h HIS 50 Cb 0.16 -0.05 -0.09 0.00 2.52 0.00 0.00 27.41 29.95 3hx5 h HIS 50 CO -0.10 0.19 0.40 0.35 0.71 0.00 0.00 177.93 179.49 3hx5 h PHE 51 N 0.08 0.70 -0.03 5.26 3.57 -0.91 -1.01 116.94 124.60 3hx5 h PHE 51 Ca 0.04 0.03 -0.18 0.00 3.53 0.00 0.00 57.97 61.40 3hx5 h PHE 51 Cb 0.09 -0.19 -0.01 0.00 2.79 0.00 0.00 35.95 38.63 3hx5 h PHE 51 CO -0.04 0.17 -0.76 0.74 -2.23 0.00 0.00 178.31 176.20 3hx5 h PHE 52 N 0.59 0.31 -0.09 0.41 0.05 -1.20 -2.97 116.94 114.04 3hx5 h PHE 52 Ca 0.43 -0.15 -0.08 0.00 3.82 0.00 0.00 57.97 61.99 3hx5 h PHE 52 Cb 0.59 -0.04 -0.01 0.00 2.00 0.00 0.00 35.95 38.49 3hx5 h PHE 52 CO -0.11 0.89 -0.33 0.00 -0.18 0.00 0.00 178.31 178.59 3hx5 h ARG 53 N 0.15 0.17 -0.27 1.51 3.08 -0.44 -1.53 114.38 117.04 3hx5 h ARG 53 Ca -0.03 -0.06 -0.05 0.00 0.07 0.00 0.00 59.98 59.91 3hx5 h ARG 53 Cb 1.33 -0.01 -0.01 0.00 0.08 0.00 0.00 29.97 31.36 3hx5 h ARG 53 CO 0.12 0.48 -0.02 0.93 -1.07 0.00 0.00 179.97 180.41 3hx5 h GLU 54 N 0.15 0.50 -0.60 0.04 5.08 -1.23 -2.84 114.58 115.68 3hx5 h GLU 54 Ca 0.02 -0.17 0.00 0.00 -1.00 0.00 0.00 59.36 58.21 3hx5 h GLU 54 Cb 0.66 -0.04 -0.03 0.00 0.50 0.00 0.00 28.75 29.84 3hx5 h GLU 54 CO 0.05 0.68 0.38 -0.07 -1.00 0.00 0.00 179.01 179.05 3hx5 h LEU 55 N 0.27 0.70 -1.10 1.33 3.38 -1.29 0.25 115.31 118.86 3hx5 h LEU 55 Ca 0.07 -0.02 -0.04 0.00 0.09 0.00 0.00 57.88 57.98 3hx5 h LEU 55 Cb 0.47 -0.17 -0.03 0.00 0.09 0.00 0.00 40.66 41.01 3hx5 h LEU 55 CO 0.02 0.52 0.22 0.00 0.09 0.00 0.00 178.44 179.28 3hx5 h ALA 56 N 1.61 1.29 -0.05 1.53 0.00 -1.11 -0.15 119.26 122.38 3hx5 h ALA 56 Ca 0.22 -0.16 -0.22 0.00 0.00 0.00 0.00 54.91 54.74 3hx5 h ALA 56 Cb -0.07 -0.24 0.01 0.00 0.00 0.00 0.00 17.79 17.49 3hx5 h ALA 56 CO -0.04 0.52 -0.88 1.49 0.00 0.00 0.00 179.25 180.34 3hx5 h GLU 57 N 0.84 0.55 -0.67 0.00 4.57 -0.96 -1.44 114.58 117.47 3hx5 h GLU 57 Ca 0.20 -0.53 -0.00 0.00 -1.18 0.00 0.00 59.36 57.85 3hx5 h GLU 57 Cb 0.19 0.13 -0.03 0.00 -0.16 0.00 0.00 28.75 28.88 3hx5 h GLU 57 CO -0.02 1.15 0.40 0.93 -1.18 0.00 0.00 179.01 180.30 3hx5 h GLU 58 N 0.34 0.91 -0.09 1.92 5.08 0.15 -0.09 114.58 122.80 3hx5 h GLU 58 Ca -0.07 -0.08 -0.20 0.00 -1.00 0.00 0.00 59.36 58.01 3hx5 h GLU 58 Cb 1.50 -0.19 0.00 0.00 0.50 0.00 0.00 28.75 30.56 3hx5 h GLU 58 CO 0.16 0.64 -0.77 0.87 -1.00 0.00 0.00 179.01 178.91 3hx5 h LYS 59 N 0.92 0.51 -0.62 2.33 1.79 -0.92 -2.26 116.57 118.32 3hx5 h LYS 59 Ca 0.24 -0.43 -0.02 0.00 -2.18 0.00 0.00 60.65 58.26 3hx5 h LYS 59 Cb -0.03 0.10 -0.03 0.00 -1.58 0.00 0.00 32.23 30.69 3hx5 h LYS 59 CO -0.04 1.07 0.31 -0.09 -1.08 0.00 0.00 179.45 179.61 3hx5 h ARG 60 N 0.34 0.89 -0.72 3.15 2.43 -0.47 -0.93 114.38 119.07 3hx5 h ARG 60 Ca -0.04 -0.12 -0.03 0.00 -0.81 0.00 0.00 59.98 58.97 3hx5 h ARG 60 Cb 1.37 -0.16 -0.03 0.00 -0.42 0.00 0.00 29.97 30.72 3hx5 h ARG 60 CO 0.14 0.70 0.33 0.93 -1.51 0.00 0.00 179.97 180.57 3hx5 h GLU 61 N 0.85 1.04 0.28 0.20 5.08 -1.01 -2.19 114.58 118.83 3hx5 h GLU 61 Ca 0.21 -0.15 -0.00 0.00 -1.00 0.00 0.00 59.36 58.42 3hx5 h GLU 61 Cb 0.10 -0.19 -0.01 0.00 0.50 0.00 0.00 28.75 29.15 3hx5 h GLU 61 CO -0.03 0.81 -0.24 0.78 -1.00 0.00 0.00 179.01 179.33 3hx5 h GLY 62 N 1.08 -0.55 2.00 -3.84 0.00 -0.59 0.69 103.07 101.85 3hx5 h GLY 62 Ca 0.25 0.27 -0.09 0.00 0.00 0.00 0.00 47.33 47.76 3hx5 h GLY 62 CO -0.03 -0.22 -0.43 0.10 0.00 0.00 0.00 176.54 175.96 3hx5 h TYR 63 N -0.53 0.00 -0.41 5.60 -0.00 -1.17 -2.05 116.97 118.40 3hx5 h TYR 63 Ca -0.02 0.00 -0.10 0.00 0.00 0.00 0.00 58.73 58.61 3hx5 h TYR 63 Cb 0.48 0.00 -0.02 0.00 0.00 0.00 0.00 36.73 37.19 3hx5 h TYR 63 CO -0.14 0.43 -0.16 0.93 -0.00 0.00 0.00 178.16 179.22 3hx5 h GLU 64 N 0.00 0.77 -0.21 0.10 5.08 -1.13 0.44 114.58 119.62 3hx5 h GLU 64 Ca -0.00 -0.28 -0.10 0.00 -1.00 0.00 0.00 59.36 57.97 3hx5 h GLU 64 Cb 0.86 -0.05 -0.01 0.00 0.50 0.00 0.00 28.75 30.04 3hx5 h GLU 64 CO 0.06 0.88 -0.32 -0.09 -1.00 0.00 0.00 179.01 178.54 3hx5 h ARG 65 N 0.68 0.42 -0.07 2.33 2.43 -0.39 -1.49 114.38 118.30 3hx5 h ARG 65 Ca 0.11 -0.18 -0.09 0.00 -0.81 0.00 0.00 59.98 59.01 3hx5 h ARG 65 Cb 0.65 -0.02 0.00 0.00 -0.42 0.00 0.00 29.97 30.19 3hx5 h ARG 65 CO 0.05 0.70 -0.29 -0.07 -1.51 0.00 0.00 179.97 178.84 3hx5 h LEU 66 N 0.37 0.37 -1.60 3.80 3.38 -0.90 -2.31 115.31 118.41 3hx5 h LEU 66 Ca 0.05 -0.64 -0.00 0.00 0.09 0.00 0.00 57.88 57.37 3hx5 h LEU 66 Cb 0.74 -0.11 -0.02 0.00 0.09 0.00 0.00 40.66 41.36 3hx5 h LEU 66 CO 0.06 0.95 0.19 -0.07 0.09 0.00 0.00 178.44 179.66 3hx5 h LEU 67 N -0.18 0.40 -0.21 1.67 3.38 -0.82 0.12 115.31 119.67 3hx5 h LEU 67 Ca -0.02 -0.02 -0.10 0.00 0.09 0.00 0.00 57.88 57.84 3hx5 h LEU 67 Cb 0.94 -0.10 -0.00 0.00 0.09 0.00 0.00 40.66 41.58 3hx5 h LEU 67 CO 0.06 0.32 -0.24 0.50 0.09 0.00 0.00 178.44 179.17 3hx5 h LYS 68 N 0.47 0.54 -0.01 1.13 3.64 -1.26 -2.72 116.57 118.35 3hx5 h LYS 68 Ca 0.12 -0.30 -0.06 0.00 -1.27 0.00 0.00 60.65 59.15 3hx5 h LYS 68 Cb 0.00 0.02 -0.01 0.00 -0.41 0.00 0.00 32.23 31.83 3hx5 h LYS 68 CO -0.02 0.89 -0.26 1.98 -2.27 0.00 0.00 179.45 179.76 3hx5 h MET 69 N 0.22 0.02 0.35 1.90 4.05 -0.81 -2.12 114.93 118.53 3hx5 h MET 69 Ca 0.03 -0.00 -0.02 0.00 -0.28 0.00 0.00 59.70 59.43 3hx5 h MET 69 Cb 0.81 -0.00 0.00 0.00 -0.80 0.00 0.00 31.60 31.61 3hx5 h MET 69 CO 0.06 0.28 -0.17 0.37 0.23 0.00 0.00 176.91 177.68 3hx5 h GLN 70 N 0.01 -0.46 -0.09 0.39 5.75 -0.61 -2.55 115.11 117.55 3hx5 h GLN 70 Ca 0.00 0.03 -0.04 0.00 -0.15 0.00 0.00 58.65 58.49 3hx5 h GLN 70 Cb 0.47 0.10 -0.01 0.00 1.07 0.00 0.00 27.48 29.12 3hx5 h GLN 70 CO 0.03 -0.26 -0.15 -0.91 -2.65 0.00 0.00 178.83 174.90 3hx5 h ASN 71 N -0.55 0.13 -0.27 -0.69 2.35 -1.21 -1.43 115.58 113.90 3hx5 h ASN 71 Ca -0.05 -0.02 -0.05 0.00 -0.55 0.00 0.00 56.30 55.62 3hx5 h ASN 71 Cb 0.41 -0.03 -0.02 0.00 0.05 0.00 0.00 38.32 38.73 3hx5 h ASN 71 CO 0.08 0.30 0.00 1.56 -1.65 0.00 0.00 177.43 177.72 3hx5 h GLN 72 N 0.13 0.59 0.00 0.81 1.08 -1.22 -2.90 115.11 113.61 3hx5 h GLN 72 Ca 0.03 -0.13 0.00 0.00 -1.45 0.00 0.00 58.65 57.10 3hx5 h GLN 72 Cb 0.35 -0.08 0.00 0.00 -0.05 0.00 0.00 27.48 27.70 3hx5 h GLN 72 CO 0.02 0.61 -0.65 0.00 -0.95 0.00 0.00 178.83 177.86 3hx5 h ARG 73 N 0.56 0.00 0.00 1.46 2.47 -1.02 -3.48 114.38 114.37 3hx5 h ARG 73 Ca 0.12 0.00 0.00 0.00 -1.26 0.00 0.00 59.98 58.84 3hx5 h ARG 73 Cb 0.35 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 28.67 3hx5 h ARG 73 CO 0.01 0.00 0.00 0.41 0.56 0.00 0.00 179.97 180.95 3hx5 n GLY 74 N 1.33 0.74 3.86 0.04 0.00 -1.00 -3.94 105.19 106.22 3hx5 n GLY 74 Ca 0.03 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.74 3hx5 n GLY 74 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 3hx5 s GLY 75 N -1.07 1.81 -0.25 -0.02 0.00 -0.58 -4.66 107.32 102.55 3hx5 s GLY 75 Ca 0.00 -0.04 -0.03 0.00 0.00 0.00 0.00 44.72 44.64 3hx5 s GLY 75 CO 0.00 0.21 -0.03 0.50 0.00 0.00 0.00 173.10 173.79 3hx5 s ARG 76 N -4.66 3.10 0.39 2.90 1.81 -1.26 -4.06 118.95 117.17 3hx5 s ARG 76 Ca 0.55 -0.81 -0.27 0.00 -1.72 0.00 0.00 55.73 53.48 3hx5 s ARG 76 Cb -0.11 -3.06 -0.09 0.00 -0.45 0.00 0.00 34.95 31.24 3hx5 s ARG 76 CO 0.44 -0.33 1.37 0.00 -0.68 0.00 0.00 175.30 176.10 3hx5 s ALA 77 N 1.42 3.37 -0.07 2.13 0.00 -1.26 -5.02 121.76 122.34 3hx5 s ALA 77 Ca 0.03 1.36 -0.01 0.00 0.00 0.00 0.00 51.96 53.35 3hx5 s ALA 77 Cb -0.16 -3.53 0.03 0.00 0.00 0.00 0.00 23.12 19.46 3hx5 s ALA 77 CO -0.03 -0.92 -0.02 -0.51 0.00 0.00 0.00 175.76 174.29 3hx5 s LEU 78 N -2.29 0.86 0.06 0.00 1.43 -1.26 -5.15 118.68 112.33 3hx5 s LEU 78 Ca 0.55 -0.11 0.01 0.00 -1.03 0.00 0.00 54.13 53.55 3hx5 s LEU 78 Cb -0.41 -0.48 -0.04 0.00 0.03 0.00 0.00 46.19 45.29 3hx5 s LEU 78 CO 0.54 -0.15 0.15 -0.36 0.23 0.00 0.00 176.35 176.77 3hx5 s PHE 79 N 1.64 3.37 0.22 0.29 0.08 -1.26 -4.88 117.98 117.45 3hx5 s PHE 79 Ca 0.00 0.18 0.04 0.00 0.12 0.00 0.00 56.93 57.27 3hx5 s PHE 79 Cb -0.13 -1.70 -0.05 0.00 -0.57 0.00 0.00 43.02 40.57 3hx5 s PHE 79 CO -0.04 0.56 -0.01 -0.65 -0.10 0.00 0.00 175.22 174.98 3hx5 s GLN 80 N -2.41 1.30 0.70 0.44 -1.52 -1.26 -5.13 119.66 111.77 3hx5 s GLN 80 Ca 0.32 -1.65 -0.16 0.00 -1.95 0.00 0.00 55.36 51.92 3hx5 s GLN 80 Cb -0.13 -0.60 -0.01 0.00 -0.22 0.00 0.00 33.01 32.05 3hx5 s GLN 80 CO 0.25 -0.08 0.90 -0.25 -0.25 0.00 0.00 175.29 175.86 3hx5 n ASP 81 N -0.39 0.28 -4.52 5.90 10.43 -1.26 -4.97 116.55 122.03 3hx5 n ASP 81 Ca -0.06 0.68 -0.36 0.00 2.57 0.00 0.00 54.79 57.63 3hx5 n ASP 81 Cb 0.64 -1.38 -0.12 0.00 1.84 0.00 0.00 41.12 42.10 3hx5 n ASP 81 CO 0.00 0.00 0.00 -0.63 -1.07 0.00 0.00 177.20 175.50 3hx5 s ILE 82 N -1.77 4.52 0.15 0.53 1.01 -1.26 -5.07 121.20 119.31 3hx5 s ILE 82 Ca 0.73 -0.11 -0.30 0.00 0.00 0.00 0.00 60.65 60.97 3hx5 s ILE 82 Cb -0.36 -3.09 -0.08 0.00 0.01 0.00 0.00 42.46 38.94 3hx5 s ILE 82 CO 0.51 0.37 1.27 -0.54 0.00 0.00 0.00 174.94 176.55 3hx5 s LYS 83 N 1.21 4.41 0.74 2.79 -0.14 -1.26 -5.00 119.74 122.49 3hx5 s LYS 83 Ca 0.05 1.95 -0.15 0.00 -1.36 0.00 0.00 55.97 56.46 3hx5 s LYS 83 Cb -0.14 -3.25 0.05 0.00 -1.68 0.00 0.00 37.83 32.80 3hx5 s LYS 83 CO 0.04 -0.25 1.22 -1.59 -0.76 0.00 0.00 175.35 174.00 3hx5 s LYS 84 N 0.37 2.03 0.76 1.68 -2.85 -1.26 -4.88 119.74 115.59 3hx5 s LYS 84 Ca 0.58 1.80 -0.15 0.00 -1.00 0.00 0.00 55.97 57.20 3hx5 s LYS 84 Cb -0.34 -1.82 0.01 0.00 -2.06 0.00 0.00 37.83 33.63 3hx5 s LYS 84 CO 0.34 -1.93 0.86 -2.30 0.10 0.00 0.00 175.35 172.42 3hx5 n PRO 85 N -2.80 0.33 0.11 1.78 -0.02 -1.26 -4.90 135.00 128.25 3hx5 n PRO 85 Ca 0.14 0.17 0.04 0.00 -2.02 0.00 0.00 63.50 61.82 3hx5 n PRO 85 Cb 0.50 -2.14 0.44 0.00 -0.02 0.00 0.00 33.50 32.28 3hx5 n PRO 85 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3hx5 h ALA 86 N -0.51 1.65 -2.13 3.55 0.00 -1.98 -3.44 119.26 116.40 3hx5 h ALA 86 Ca -0.46 -0.12 -0.61 0.00 0.00 0.00 0.00 54.91 53.72 3hx5 h ALA 86 Cb 1.33 -0.09 -0.13 0.00 0.00 0.00 0.00 17.79 18.89 3hx5 h ALA 86 CO 0.45 0.27 -0.72 -1.21 0.00 0.00 0.00 179.25 178.03 3hx5 s GLU 87 N -5.01 1.79 -0.06 0.00 0.41 -1.26 -5.02 118.70 109.55 3hx5 s GLU 87 Ca -0.06 -1.77 0.11 0.00 -0.41 0.00 0.00 54.97 52.83 3hx5 s GLU 87 Cb 0.16 -1.80 -0.16 0.00 -1.78 0.00 0.00 34.13 30.55 3hx5 s GLU 87 CO 0.72 0.28 0.15 -0.25 -0.49 0.00 0.00 175.26 175.67 3hx5 n ASP 88 N -0.70 2.29 -4.12 -0.19 8.00 -1.26 -4.94 116.55 115.63 3hx5 n ASP 88 Ca -0.05 0.00 -0.23 0.00 0.71 0.00 0.00 54.79 55.22 3hx5 n ASP 88 Cb 0.61 1.16 -0.15 0.00 -0.02 0.00 0.00 41.12 42.71 3hx5 n ASP 88 CO 0.00 0.00 0.00 -1.61 -0.39 0.00 0.00 177.20 175.20 3hx5 s GLU 89 N -2.55 1.30 -0.17 -1.24 2.02 -1.26 -4.99 118.70 111.81 3hx5 s GLU 89 Ca -0.05 -0.54 0.16 0.00 0.02 0.00 0.00 54.97 54.56 3hx5 s GLU 89 Cb 0.05 -1.23 0.56 0.00 0.10 0.00 0.00 34.13 33.61 3hx5 s GLU 89 CO 0.47 0.30 1.46 0.91 0.02 0.00 0.00 175.26 178.42 3hx5 n TRP 90 N 2.82 1.07 -2.84 1.61 7.02 -1.26 -5.08 117.44 120.78 3hx5 n TRP 90 Ca -0.15 -0.83 0.00 0.00 -1.02 0.00 0.00 57.50 55.50 3hx5 n TRP 90 Cb 0.54 -0.32 0.00 0.00 -2.42 0.00 0.00 31.31 29.11 3hx5 n TRP 90 CO 0.00 0.00 0.00 0.41 -2.02 0.00 0.00 177.69 176.08 3hx5 n GLY 91 N -0.28 3.13 3.99 6.99 0.00 -1.26 -3.39 105.19 114.37 3hx5 n GLY 91 Ca 0.22 -0.28 -0.20 0.00 0.00 0.00 0.00 46.02 45.76 3hx5 n GLY 91 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3hx5 s LYS 92 N 0.00 2.60 0.13 1.61 1.02 -1.26 -4.90 119.74 118.93 3hx5 s LYS 92 Ca 0.00 -0.94 -0.31 0.00 0.02 0.00 0.00 55.97 54.74 3hx5 s LYS 92 Cb 0.00 -2.56 -0.08 0.00 -0.52 0.00 0.00 37.83 34.67 3hx5 s LYS 92 CO 0.00 -0.61 1.57 1.15 -0.92 0.00 0.00 175.35 176.54 3hx5 h THR 93 N 0.22 0.06 -0.56 2.17 2.02 -2.00 -1.34 112.91 113.48 3hx5 h THR 93 Ca -0.41 0.00 0.08 0.00 0.77 0.00 0.00 66.41 66.85 3hx5 h THR 93 Cb 1.29 0.06 -0.03 0.00 -1.74 0.00 0.00 68.15 67.73 3hx5 h THR 93 CO 0.50 0.00 0.38 -0.65 0.37 0.00 0.00 175.52 176.11 3hx5 h PRO 94 N -0.49 0.41 0.06 6.66 0.11 -1.95 0.53 132.00 137.33 3hx5 h PRO 94 Ca 0.07 -0.02 -0.00 0.00 0.11 0.00 0.00 66.00 66.15 3hx5 h PRO 94 Cb 0.64 -0.09 0.00 0.00 0.11 0.00 0.00 31.00 31.66 3hx5 h PRO 94 CO -0.47 0.27 -0.03 -0.44 -0.21 0.00 0.00 178.00 177.12 3hx5 h ASP 95 N 0.42 -0.07 0.11 -2.05 3.45 -1.59 -1.76 116.42 114.94 3hx5 h ASP 95 Ca 0.25 -0.18 -0.01 0.00 0.43 0.00 0.00 57.03 57.53 3hx5 h ASP 95 Cb 0.45 0.02 0.00 0.00 -0.56 0.00 0.00 39.33 39.24 3hx5 h ASP 95 CO -0.07 0.14 -0.05 0.00 -1.57 0.00 0.00 179.24 177.69 3hx5 h ALA 96 N 0.64 -0.15 -0.97 3.45 0.00 -0.59 -2.02 119.26 119.62 3hx5 h ALA 96 Ca -0.01 -0.06 0.18 0.00 0.00 0.00 0.00 54.91 55.02 3hx5 h ALA 96 Cb 0.25 0.06 -0.09 0.00 0.00 0.00 0.00 17.79 18.01 3hx5 h ALA 96 CO 0.01 -0.56 0.61 1.98 0.00 0.00 0.00 179.25 181.29 3hx5 h MET 97 N -0.20 0.69 -0.45 0.00 -1.53 -0.90 0.13 114.93 112.67 3hx5 h MET 97 Ca -0.02 -0.04 -0.06 0.00 -3.44 0.00 0.00 59.70 56.14 3hx5 h MET 97 Cb 0.16 -0.16 -0.02 0.00 -0.55 0.00 0.00 31.60 31.04 3hx5 h MET 97 CO 0.03 0.45 0.04 0.87 0.14 0.00 0.00 176.91 178.44 3hx5 h LYS 98 N 0.71 0.76 -0.82 0.39 1.57 -0.89 0.37 116.57 118.66 3hx5 h LYS 98 Ca 0.52 -0.22 0.00 0.00 -1.87 0.00 0.00 60.65 59.08 3hx5 h LYS 98 Cb 0.87 -0.08 -0.04 0.00 0.08 0.00 0.00 32.23 33.06 3hx5 h LYS 98 CO -0.29 0.80 0.52 0.00 -0.57 0.00 0.00 179.45 179.92 3hx5 h ALA 99 N 0.93 1.38 0.14 3.86 0.00 -0.10 -0.28 119.26 125.19 3hx5 h ALA 99 Ca 0.13 -0.07 -0.01 0.00 0.00 0.00 0.00 54.91 54.96 3hx5 h ALA 99 Cb 0.43 -0.33 0.00 0.00 0.00 0.00 0.00 17.79 17.89 3hx5 h ALA 99 CO 0.01 0.56 -0.07 0.00 0.00 0.00 0.00 179.25 179.76 3hx5 h ALA 100 N 1.46 -0.18 -0.83 0.00 0.00 -0.74 -0.88 119.26 118.09 3hx5 h ALA 100 Ca 0.30 -0.16 0.20 0.00 0.00 0.00 0.00 54.91 55.25 3hx5 h ALA 100 Cb -0.10 0.07 -0.13 0.00 0.00 0.00 0.00 17.79 17.64 3hx5 h ALA 100 CO -0.06 -0.46 0.24 1.98 0.00 0.00 0.00 179.25 180.95 3hx5 h MET 101 N -0.47 0.26 -0.11 0.00 -1.53 -0.38 0.54 114.93 113.23 3hx5 h MET 101 Ca -0.02 -0.02 -0.02 0.00 -3.44 0.00 0.00 59.70 56.21 3hx5 h MET 101 Cb 0.37 -0.06 -0.00 0.00 -0.55 0.00 0.00 31.60 31.36 3hx5 h MET 101 CO 0.03 0.17 0.01 0.00 0.14 0.00 0.00 176.91 177.26 3hx5 h ALA 102 N 1.71 0.15 -0.53 0.39 0.00 -0.85 -1.80 119.26 118.32 3hx5 h ALA 102 Ca 0.50 -0.17 0.06 0.00 0.00 0.00 0.00 54.91 55.31 3hx5 h ALA 102 Cb 0.95 -0.04 -0.05 0.00 0.00 0.00 0.00 17.79 18.64 3hx5 h ALA 102 CO -0.58 -0.18 0.24 1.25 0.00 0.00 0.00 179.25 179.98 3hx5 h LEU 103 N -0.05 0.31 -0.51 0.00 5.85 0.47 0.19 115.31 121.56 3hx5 h LEU 103 Ca 0.03 0.05 -0.07 0.00 0.84 0.00 0.00 57.88 58.73 3hx5 h LEU 103 Cb 0.32 -0.00 -0.02 0.00 0.37 0.00 0.00 40.66 41.33 3hx5 h LEU 103 CO 0.00 0.21 0.05 -0.33 -0.34 0.00 0.00 178.44 178.03 3hx5 h GLU 104 N 0.46 0.86 -0.55 1.25 4.39 -0.94 -0.42 114.58 119.63 3hx5 h GLU 104 Ca 0.25 -0.25 -0.02 0.00 0.34 0.00 0.00 59.36 59.68 3hx5 h GLU 104 Cb 0.21 -0.09 -0.03 0.00 -0.10 0.00 0.00 28.75 28.75 3hx5 h GLU 104 CO -0.21 0.87 0.26 0.87 -1.16 0.00 0.00 179.01 179.64 3hx5 h LYS 105 N 0.74 0.78 -0.01 2.33 1.57 -0.83 0.57 116.57 121.72 3hx5 h LYS 105 Ca 0.15 -0.10 -0.00 0.00 -1.87 0.00 0.00 60.65 58.83 3hx5 h LYS 105 Cb 0.45 -0.15 -0.00 0.00 0.08 0.00 0.00 32.23 32.61 3hx5 h LYS 105 CO 0.02 0.61 0.00 -0.22 -0.57 0.00 0.00 179.45 179.29 3hx5 h LYS 106 N 0.78 0.01 0.08 3.15 3.64 -0.53 -1.96 116.57 121.74 3hx5 h LYS 106 Ca 0.19 -0.00 -0.00 0.00 -1.27 0.00 0.00 60.65 59.57 3hx5 h LYS 106 Cb 0.09 -0.00 0.00 0.00 -0.41 0.00 0.00 32.23 31.91 3hx5 h LYS 106 CO -0.02 0.20 -0.04 -0.07 -2.27 0.00 0.00 179.45 177.25 3hx5 h LEU 107 N -0.17 -0.09 -1.06 5.20 3.38 -0.34 -2.10 115.31 120.12 3hx5 h LEU 107 Ca 0.00 -0.08 0.17 0.00 0.09 0.00 0.00 57.88 58.07 3hx5 h LEU 107 Cb 0.19 0.02 -0.10 0.00 0.09 0.00 0.00 40.66 40.87 3hx5 h LEU 107 CO -0.00 0.02 0.62 -1.13 0.09 0.00 0.00 178.44 178.04 3hx5 h ASN 108 N -0.19 0.78 -0.16 -0.43 -1.24 0.15 -0.16 115.58 114.33 3hx5 h ASN 108 Ca -0.01 0.08 -0.02 0.00 0.71 0.00 0.00 56.30 57.06 3hx5 h ASN 108 Cb 0.16 -0.07 -0.01 0.00 0.73 0.00 0.00 38.32 39.14 3hx5 h ASN 108 CO 0.02 0.32 0.04 -0.61 -1.29 0.00 0.00 177.43 175.90 3hx5 h GLN 109 N 0.78 0.26 -0.68 6.67 5.75 -1.04 -1.67 115.11 125.18 3hx5 h GLN 109 Ca 0.55 -0.07 0.08 0.00 -0.15 0.00 0.00 58.65 59.06 3hx5 h GLN 109 Cb 0.83 -0.03 -0.04 0.00 1.07 0.00 0.00 27.48 29.30 3hx5 h GLN 109 CO -0.33 0.42 0.45 0.00 -2.65 0.00 0.00 178.83 176.71 3hx5 h ALA 110 N 0.84 1.80 -0.36 3.38 0.00 -0.41 0.55 119.26 125.05 3hx5 h ALA 110 Ca 0.05 -0.02 -0.12 0.00 0.00 0.00 0.00 54.91 54.83 3hx5 h ALA 110 Cb 0.27 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 17.90 3hx5 h ALA 110 CO 0.00 0.07 -0.24 -0.07 0.00 0.00 0.00 179.25 179.01 3hx5 h LEU 111 N 0.64 0.84 -1.20 0.00 3.38 -0.73 -1.40 115.31 116.84 3hx5 h LEU 111 Ca 0.30 -0.43 -0.07 0.00 0.09 0.00 0.00 57.88 57.77 3hx5 h LEU 111 Cb 0.35 -0.23 -0.01 0.00 0.09 0.00 0.00 40.66 40.86 3hx5 h LEU 111 CO -0.10 1.09 -0.24 -0.07 0.09 0.00 0.00 178.44 179.21 3hx5 h LEU 112 N 0.59 0.25 -0.21 1.67 3.38 -0.23 0.22 115.31 120.99 3hx5 h LEU 112 Ca 0.07 -0.07 -0.08 0.00 0.09 0.00 0.00 57.88 57.90 3hx5 h LEU 112 Cb 0.81 -0.07 -0.00 0.00 0.09 0.00 0.00 40.66 41.48 3hx5 h LEU 112 CO 0.07 0.50 -0.16 0.44 0.09 0.00 0.00 178.44 179.37 3hx5 h ASP 113 N 0.23 0.51 -0.64 -0.43 3.45 -0.79 -1.25 116.42 117.50 3hx5 h ASP 113 Ca 0.04 -0.45 -0.06 0.00 0.43 0.00 0.00 57.03 56.99 3hx5 h ASP 113 Cb 0.55 -0.14 -0.03 0.00 -0.56 0.00 0.00 39.33 39.15 3hx5 h ASP 113 CO 0.04 0.85 0.19 0.25 -1.57 0.00 0.00 179.24 178.99 3hx5 h LEU 114 N 0.17 0.97 -0.94 1.55 5.85 -0.79 0.50 115.31 122.61 3hx5 h LEU 114 Ca 0.04 -0.18 -0.03 0.00 0.84 0.00 0.00 57.88 58.55 3hx5 h LEU 114 Cb 0.69 -0.25 -0.04 0.00 0.37 0.00 0.00 40.66 41.43 3hx5 h LEU 114 CO 0.04 0.92 0.38 -0.74 -0.34 0.00 0.00 178.44 178.71 3hx5 h HIS 115 N 0.99 1.14 -0.13 1.25 2.76 -0.39 -0.90 115.15 119.88 3hx5 h HIS 115 Ca 0.21 -0.05 -0.01 0.00 -2.20 0.00 0.00 60.37 58.32 3hx5 h HIS 115 Cb 0.31 -0.36 -0.01 0.00 1.55 0.00 0.00 27.41 28.91 3hx5 h HIS 115 CO 0.02 0.83 0.04 0.00 -1.30 0.00 0.00 177.93 177.52 3hx5 h ALA 116 N 1.28 0.16 -0.59 5.26 0.00 -0.35 -1.41 119.26 123.62 3hx5 h ALA 116 Ca 0.27 -0.12 0.08 0.00 0.00 0.00 0.00 54.91 55.15 3hx5 h ALA 116 Cb 0.11 -0.05 -0.04 0.00 0.00 0.00 0.00 17.79 17.82 3hx5 h ALA 116 CO -0.03 -0.23 0.39 1.25 0.00 0.00 0.00 179.25 180.63 3hx5 h LEU 117 N 0.02 0.42 0.33 0.00 5.85 -0.60 -1.21 115.31 120.12 3hx5 h LEU 117 Ca 0.04 0.01 -0.02 0.00 0.84 0.00 0.00 57.88 58.75 3hx5 h LEU 117 Cb 0.21 -0.08 0.00 0.00 0.37 0.00 0.00 40.66 41.16 3hx5 h LEU 117 CO -0.00 0.26 -0.16 1.23 -0.34 0.00 0.00 178.44 179.43 3hx5 h GLY 118 N 0.47 -0.46 0.64 3.75 0.00 -0.59 -1.01 103.07 105.87 3hx5 h GLY 118 Ca 0.26 0.17 0.09 0.00 0.00 0.00 0.00 47.33 47.86 3hx5 h GLY 118 CO -0.08 -0.17 0.63 1.76 0.00 0.00 0.00 176.54 178.68 3hx5 h SER 119 N -0.74 0.94 -0.20 0.19 0.02 -0.87 0.62 113.55 113.52 3hx5 h SER 119 Ca -0.04 0.03 0.03 0.00 -0.84 0.00 0.00 61.79 60.96 3hx5 h SER 119 Cb 0.50 -0.17 -0.03 0.00 0.14 0.00 0.00 62.40 62.84 3hx5 h SER 119 CO 0.07 0.56 -0.01 0.00 -1.14 0.00 0.00 176.83 176.31 3hx5 h ALA 120 N 1.51 0.16 -0.19 3.77 0.00 -1.06 -0.42 119.26 123.03 3hx5 h ALA 120 Ca 0.45 0.06 0.00 0.00 0.00 0.00 0.00 54.91 55.42 3hx5 h ALA 120 Cb 0.34 0.10 0.00 0.00 0.00 0.00 0.00 17.79 18.23 3hx5 h ALA 120 CO -0.21 -0.44 0.00 0.54 0.00 0.00 0.00 179.25 179.14 3hx5 n ARG 121 N -5.15 1.45 -3.79 0.00 5.12 -0.40 -4.93 116.66 108.96 3hx5 n ARG 121 Ca -0.02 -0.70 -0.31 0.00 -1.93 0.00 0.00 57.85 54.89 3hx5 n ARG 121 Cb 0.11 -1.15 0.02 0.00 -1.16 0.00 0.00 32.46 30.27 3hx5 n ARG 121 CO 0.00 0.00 0.00 0.25 -1.93 0.00 0.00 177.63 175.95 3hx5 n THR 122 N 0.06 -4.31 -3.87 0.55 -2.24 0.11 -4.94 114.28 99.64 3hx5 n THR 122 Ca 0.07 -0.42 -0.28 0.00 -2.27 0.00 0.00 64.05 61.15 3hx5 n THR 122 Cb 0.16 -3.40 -0.12 0.00 -2.10 0.00 0.00 70.33 64.87 3hx5 n THR 122 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 3hx5 s ASP 123 N -3.25 4.59 0.48 3.42 -1.08 -0.70 -4.96 116.67 115.16 3hx5 s ASP 123 Ca 0.25 -3.73 0.17 0.00 -0.52 0.00 0.00 52.55 48.72 3hx5 s ASP 123 Cb -0.12 -1.57 1.13 0.00 -1.46 0.00 0.00 42.92 40.91 3hx5 s ASP 123 CO 0.90 -0.10 2.04 1.55 0.52 0.00 0.00 175.17 180.08 3hx5 h PRO 124 N 5.52 0.00 -0.34 4.34 0.13 -1.92 -2.43 132.00 137.30 3hx5 h PRO 124 Ca 0.13 0.00 -0.04 0.00 -0.87 0.00 0.00 66.00 65.22 3hx5 h PRO 124 Cb 0.78 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 31.89 3hx5 h PRO 124 CO 0.69 0.13 0.04 1.25 -0.23 0.00 0.00 178.00 179.89 3hx5 h HIS 125 N 0.00 0.62 -0.59 1.56 2.76 -1.96 -1.26 115.15 116.27 3hx5 h HIS 125 Ca -0.00 -0.09 -0.08 0.00 -2.20 0.00 0.00 60.37 58.00 3hx5 h HIS 125 Cb 0.24 -0.17 -0.02 0.00 1.55 0.00 0.00 27.41 29.01 3hx5 h HIS 125 CO 0.00 0.65 0.07 1.25 -1.30 0.00 0.00 177.93 178.60 3hx5 h LEU 126 N 0.40 0.94 -0.15 0.26 5.85 -1.91 -0.82 115.31 119.87 3hx5 h LEU 126 Ca 0.10 -0.22 -0.01 0.00 0.84 0.00 0.00 57.88 58.58 3hx5 h LEU 126 Cb 0.38 -0.25 -0.01 0.00 0.37 0.00 0.00 40.66 41.16 3hx5 h LEU 126 CO 0.01 0.96 0.04 0.00 -0.34 0.00 0.00 178.44 179.10 3hx5 h ASP 128 N 0.05 0.97 -0.95 0.00 3.58 -1.15 -1.30 116.42 117.63 3hx5 h ASP 128 Ca 0.05 -0.22 0.06 0.00 0.42 0.00 0.00 57.03 57.34 3hx5 h ASP 128 Cb 0.25 -0.26 -0.06 0.00 1.72 0.00 0.00 39.33 40.98 3hx5 h ASP 128 CO 0.00 0.97 0.62 0.15 -2.88 0.00 0.00 179.24 178.10 3hx5 h PHE 129 N 0.96 1.13 -0.01 0.28 3.04 -1.00 0.80 116.94 122.14 3hx5 h PHE 129 Ca 0.19 0.03 -0.26 0.00 3.98 0.00 0.00 57.97 61.91 3hx5 h PHE 129 Cb 0.41 -0.37 0.02 0.00 2.56 0.00 0.00 35.95 38.57 3hx5 h PHE 129 CO 0.03 0.60 -1.02 -0.07 -2.02 0.00 0.00 178.31 175.83 3hx5 h LEU 130 N 1.12 0.88 -0.00 0.59 3.38 -0.99 -2.34 115.31 117.95 3hx5 h LEU 130 Ca 0.40 -0.70 -0.00 0.00 0.09 0.00 0.00 57.88 57.68 3hx5 h LEU 130 Cb 0.15 -0.27 -0.00 0.00 0.09 0.00 0.00 40.66 40.63 3hx5 h LEU 130 CO -0.15 1.50 0.00 -0.33 0.09 0.00 0.00 178.44 179.55 3hx5 h GLU 131 N 0.39 0.00 -0.36 1.13 5.08 -0.81 0.14 114.58 120.15 3hx5 h GLU 131 Ca -0.12 -0.00 -0.11 0.00 -1.00 0.00 0.00 59.36 58.13 3hx5 h GLU 131 Cb 1.66 -0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.90 3hx5 h GLU 131 CO 0.20 0.10 -0.24 1.15 -1.00 0.00 0.00 179.01 179.23 3hx5 h THR 132 N -0.10 1.27 0.00 1.13 2.02 -0.93 -3.34 112.91 112.95 3hx5 h THR 132 Ca 0.00 -1.33 -0.11 0.00 0.77 0.00 0.00 66.41 65.73 3hx5 h THR 132 Cb 0.10 1.25 -0.02 0.00 -1.74 0.00 0.00 68.15 67.74 3hx5 h THR 132 CO -0.00 0.44 -1.67 1.41 0.37 0.00 0.00 175.52 176.08 3hx5 n HIS 133 N -4.11 0.00 -0.03 3.16 8.25 -0.88 -4.92 115.22 116.69 3hx5 n HIS 133 Ca -0.00 0.00 -0.07 0.00 -0.26 0.00 0.00 57.72 57.39 3hx5 n HIS 133 Cb 0.43 -0.42 -0.02 0.00 1.12 0.00 0.00 29.99 31.09 3hx5 n HIS 133 CO 0.00 0.00 0.00 1.19 0.64 0.00 0.00 176.34 178.17 3hx5 n PHE 134 N -2.19 0.00 -0.04 4.41 3.72 -0.02 -4.63 117.46 118.70 3hx5 n PHE 134 Ca -0.11 0.00 -0.11 0.00 -0.05 0.00 0.00 57.45 57.18 3hx5 n PHE 134 Cb 0.62 -0.25 -0.05 0.00 -0.94 0.00 0.00 39.48 38.86 3hx5 n PHE 134 CO 0.00 0.00 0.00 -0.07 -0.05 0.00 0.00 176.76 176.64 3hx5 h LEU 135 N -0.27 -1.29 -1.21 4.37 3.38 -0.96 -1.41 115.31 117.92 3hx5 h LEU 135 Ca -0.16 0.18 -0.07 0.00 0.09 0.00 0.00 57.88 57.92 3hx5 h LEU 135 Cb 1.01 0.54 -0.01 0.00 0.09 0.00 0.00 40.66 42.29 3hx5 h LEU 135 CO -0.10 -0.39 -0.35 -0.78 0.09 0.00 0.00 178.44 176.91 3hx5 h ASP 136 N -0.42 0.00 -0.20 -0.43 1.82 -1.83 -2.72 116.42 112.64 3hx5 h ASP 136 Ca 0.10 0.00 -0.11 0.00 -0.39 0.00 0.00 57.03 56.64 3hx5 h ASP 136 Cb 0.60 0.00 -0.01 0.00 0.68 0.00 0.00 39.33 40.59 3hx5 h ASP 136 CO -0.45 0.35 -0.23 -0.33 -1.61 0.00 0.00 179.24 176.97 3hx5 h GLU 137 N 0.00 0.65 -0.18 0.28 4.39 -1.66 -1.30 114.58 116.76 3hx5 h GLU 137 Ca -0.00 -0.25 -0.15 0.00 0.34 0.00 0.00 59.36 59.29 3hx5 h GLU 137 Cb 0.73 -0.04 0.00 0.00 -0.10 0.00 0.00 28.75 29.34 3hx5 h GLU 137 CO 0.05 0.83 -0.48 0.93 -1.16 0.00 0.00 179.01 179.17 3hx5 h GLU 138 N 0.57 0.64 -0.21 2.33 4.39 -1.00 -2.17 114.58 119.13 3hx5 h GLU 138 Ca 0.08 -0.45 -0.00 0.00 0.34 0.00 0.00 59.36 59.33 3hx5 h GLU 138 Cb 0.69 0.07 -0.01 0.00 -0.10 0.00 0.00 28.75 29.40 3hx5 h GLU 138 CO 0.05 1.07 0.13 0.28 -1.16 0.00 0.00 179.01 179.38 3hx5 h VAL 139 N 0.32 1.09 -0.91 3.13 2.07 -1.40 0.45 116.25 121.00 3hx5 h VAL 139 Ca -0.01 -0.22 0.02 0.00 0.82 0.00 0.00 66.70 67.31 3hx5 h VAL 139 Cb 1.09 0.85 -0.05 0.00 -1.52 0.00 0.00 31.29 31.67 3hx5 h VAL 139 CO 0.10 0.09 0.60 0.11 0.02 0.00 0.00 177.57 178.49 3hx5 h LYS 140 N 0.25 1.16 -0.08 1.57 1.57 -1.25 -2.09 116.57 117.71 3hx5 h LYS 140 Ca 0.08 -0.07 -0.07 0.00 -1.87 0.00 0.00 60.65 58.71 3hx5 h LYS 140 Cb 0.03 -0.26 0.00 0.00 0.08 0.00 0.00 32.23 32.08 3hx5 h LYS 140 CO -0.01 0.77 -0.23 1.25 -0.57 0.00 0.00 179.45 180.65 3hx5 h LEU 141 N 1.20 0.34 -0.33 2.94 5.85 -0.98 -2.88 115.31 121.44 3hx5 h LEU 141 Ca 0.35 -0.61 0.02 0.00 0.84 0.00 0.00 57.88 58.48 3hx5 h LEU 141 Cb -0.07 -0.10 -0.02 0.00 0.37 0.00 0.00 40.66 40.84 3hx5 h LEU 141 CO -0.09 0.89 0.17 0.40 -0.34 0.00 0.00 178.44 179.47 3hx5 h ILE 142 N -0.20 1.01 -0.25 4.05 2.04 -0.76 -0.27 117.51 123.13 3hx5 h ILE 142 Ca -0.01 -0.12 0.00 0.00 1.00 0.00 0.00 64.86 65.73 3hx5 h ILE 142 Cb 0.86 0.62 -0.01 0.00 -0.74 0.00 0.00 36.82 37.54 3hx5 h ILE 142 CO 0.05 0.07 0.16 0.50 0.00 0.00 0.00 178.15 178.93 3hx5 h LYS 143 N 0.36 0.33 -0.34 2.37 1.63 -1.46 0.39 116.57 119.85 3hx5 h LYS 143 Ca 0.13 -0.02 -0.16 0.00 -0.85 0.00 0.00 60.65 59.75 3hx5 h LYS 143 Cb 0.03 -0.07 -0.01 0.00 -0.60 0.00 0.00 32.23 31.58 3hx5 h LYS 143 CO -0.08 0.22 -0.42 -0.22 -3.45 0.00 0.00 179.45 175.50 3hx5 h LYS 144 N 0.34 0.85 -0.21 1.90 3.64 -1.04 -1.16 116.57 120.89 3hx5 h LYS 144 Ca 0.09 -0.46 -0.17 0.00 -1.27 0.00 0.00 60.65 58.84 3hx5 h LYS 144 Cb -0.03 0.02 -0.00 0.00 -0.41 0.00 0.00 32.23 31.80 3hx5 h LYS 144 CO -0.02 1.10 -0.54 0.52 -2.27 0.00 0.00 179.45 178.24 3hx5 h MET 145 N 0.69 0.64 -0.45 1.90 2.86 0.46 -2.48 114.93 118.56 3hx5 h MET 145 Ca 0.05 -0.40 0.01 0.00 -2.06 0.00 0.00 59.70 57.29 3hx5 h MET 145 Cb 1.00 0.05 -0.02 0.00 0.06 0.00 0.00 31.60 32.68 3hx5 h MET 145 CO 0.10 1.02 0.29 0.78 1.06 0.00 0.00 176.91 180.16 3hx5 h GLY 146 N 0.97 0.63 0.99 8.32 0.00 -0.09 -1.24 103.07 112.66 3hx5 h GLY 146 Ca 0.01 -0.23 0.06 0.00 0.00 0.00 0.00 47.33 47.17 3hx5 h GLY 146 CO 0.11 0.22 0.51 -0.55 0.00 0.00 0.00 176.54 176.83 3hx5 h ASP 147 N 0.60 0.73 0.38 0.19 5.19 -1.07 -2.29 116.42 120.15 3hx5 h ASP 147 Ca 0.17 0.00 -0.02 0.00 -0.62 0.00 0.00 57.03 56.56 3hx5 h ASP 147 Cb -0.06 -0.15 0.00 0.00 0.18 0.00 0.00 39.33 39.30 3hx5 h ASP 147 CO -0.04 0.47 -0.18 0.45 -3.12 0.00 0.00 179.24 176.82 3hx5 h HIS 148 N 0.83 -0.47 -0.82 4.55 3.86 -0.82 -2.32 115.15 119.96 3hx5 h HIS 148 Ca 0.33 -0.01 0.09 0.00 -1.16 0.00 0.00 60.37 59.62 3hx5 h HIS 148 Cb 0.24 0.16 -0.07 0.00 1.06 0.00 0.00 27.41 28.79 3hx5 h HIS 148 CO -0.00 -0.17 0.47 -0.07 0.86 0.00 0.00 177.93 179.02 3hx5 h LEU 149 N -0.76 0.68 -0.84 2.43 3.38 -1.04 0.19 115.31 119.35 3hx5 h LEU 149 Ca -0.05 0.04 -0.01 0.00 0.09 0.00 0.00 57.88 57.95 3hx5 h LEU 149 Cb 0.52 -0.09 -0.04 0.00 0.09 0.00 0.00 40.66 41.14 3hx5 h LEU 149 CO 0.09 0.40 0.47 0.74 0.09 0.00 0.00 178.44 180.23 3hx5 h THR 150 N 0.80 1.24 0.00 0.22 2.02 -1.41 -0.85 112.91 114.93 3hx5 h THR 150 Ca 0.39 -0.59 -0.06 0.00 0.77 0.00 0.00 66.41 66.92 3hx5 h THR 150 Cb 0.34 0.10 -0.01 0.00 -1.74 0.00 0.00 68.15 66.84 3hx5 h THR 150 CO -0.24 0.27 -0.29 0.78 0.37 0.00 0.00 175.52 176.41 3hx5 h ASN 151 N 1.17 0.00 0.02 4.18 2.35 -0.66 -2.49 115.58 120.14 3hx5 h ASN 151 Ca 0.30 0.00 -0.14 0.00 -0.55 0.00 0.00 56.30 55.91 3hx5 h ASN 151 Cb 0.01 0.00 0.01 0.00 0.05 0.00 0.00 38.32 38.39 3hx5 h ASN 151 CO -0.05 0.29 -0.57 -0.07 -1.65 0.00 0.00 177.43 175.38 3hx5 h LEU 152 N 0.00 0.46 -1.00 1.61 3.38 -0.22 -3.20 115.31 116.34 3hx5 h LEU 152 Ca -0.00 -0.80 -0.07 0.00 0.09 0.00 0.00 57.88 57.10 3hx5 h LEU 152 Cb 1.10 -0.14 -0.02 0.00 0.09 0.00 0.00 40.66 41.69 3hx5 h LEU 152 CO 0.04 1.20 -0.07 -0.74 0.09 0.00 0.00 178.44 178.96 3hx5 h HIS 153 N -0.23 0.68 -0.86 1.13 2.76 -1.23 -2.93 115.15 114.48 3hx5 h HIS 153 Ca -0.08 -0.10 0.08 0.00 -2.20 0.00 0.00 60.37 58.07 3hx5 h HIS 153 Cb 1.31 -0.18 -0.06 0.00 1.55 0.00 0.00 27.41 30.03 3hx5 h HIS 153 CO 0.16 0.69 0.56 -0.09 -1.30 0.00 0.00 177.93 177.95 3hx5 h ARG 154 N 0.59 0.88 0.00 5.26 2.43 -1.49 -3.51 114.38 118.53 3hx5 h ARG 154 Ca 0.11 -0.05 0.00 0.00 -0.81 0.00 0.00 59.98 59.23 3hx5 h ARG 154 Cb 0.48 -0.20 0.00 0.00 -0.42 0.00 0.00 29.97 29.83 3hx5 h ARG 154 CO 0.03 0.58 0.00 1.28 -1.51 0.00 0.00 179.97 180.35